A0A5K4FEP0_SCHMA Loading...

Pepdidase_M14_N domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FEP0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,539 aa.

						>A0A5K4FEP0_SCHMA|A0A5K4FEP0
MGKIQKSRPKLQRNQEQDSKYNPIQSNHDLRIKLEHELYQKVRQAVHTPPRERIIRRRLNEFQYEIQKRLKIEEEKKKLAIQMNDLINLGITNTTESFISSLNNITKINCIDLRMHPESYYQNLKWYKTSNINMKNQNVLWNNNNNNEIGLLKNERKELNCLLVTKNSNYDDDDQTSFFNEMDIMNEDTTDTNPSSLYHLNNSLTKNYLPNHHHVSNKPFNTTTNTHNNHSLSNNTTYSQYIINKFHNYKNTIINLKPPIFNQTTYTTTNTTDNTTTASSMEYTEHDPLLNDEFTFNWNIDYDYDLDQTINNNNNNNNNNIMDHINQYYELRQHYITEEDLQVVYKYYNKFYENKLSIINKRKKSIKNNNNNLLTRQMIMEKFGRLTDNEKQLFYFSATRAAYLIASIQSQHKLPDGTQFRLINQSNKKPLDYVKINNLFINQTINDPSNKINNHNNTNQTSNGSLYTLPTLIDWNSVVRDRHGPFWPHNYGPICQTLYNLYIETNNSKDDYNVNKPIIPDYTEEIMQLRNKQPYFKGIRVIFDSECSPCLSGDSSTSTSPSLDIKQFVEELTNVQQWTPPCLVFESRFESGNLRQVRRIGPFHYELLLKPDLYTKRHVQWYFFRIQNILPGFIYTFLIINFTKSTSLQPLLYSKINYQQNGKKWIRVGRNIKYTRNTMNLSNHLLDTNGEYYQLEWEMEFPYSNDICYLAYSYPYTYTNLKFDINELLMKSKENDLLNKTINCDVLCQTRADIPNKDKYAVIITARVHPGETNSSWITLGLLKFLTSNQSVSLALKKHYVFYIIPMLNPDGVIVGNYRCSLTGRDLNRNYRQPRKDVFPTVWTVKQLVKWCKKTYKDVIYCDIHGHSRRNNIFMYGCDPLYRHSKIFNHTKQTLHERILPYILSQQATSYFSFPNCRFTIHPSKEATSRVVFWREFEVINSFTLEATFNGSTLQNNNLIKFEVDDFLKMGELLGDSLYRFHEVLSNPLKLKETLINLARQTLTNLWMNKIPLMPKNTITEEYKDNLSIFNKKSYNSIKLQLYTTNKELLISTTTTTNDDDQFNDKSILNQSLNLFNNDNHINGNGDGDDDGDDGDNDHDNSMNDSLEQLAKTIHYLEKSIEFHTTEFNDNELSNIKDNHLSCTSDSNSDSEPEMTITAQNSLNQYHHNDLILPTMEQYLTLDQGKPPKTVDDNNNRSYKLKKRKKIKKKKLQAFRHHHHHRHHQSSSIQQQSYKNISSNEHHNNGNSTHNSKLLSSKSSSSSSSSTSPPMDVEVTSSEQIDDHKRQQFKSEIMEFNSQNHNERLNRRLYYLSKYAGQSNNGIPCFVEKRLFHRSCQRIRTVCENIDLTKSQTIHAQRKFVQQFINNLETKMSNLRRTDNLTNIDVLKYLKQIHLIAKRQLQLIQSQFIPITDKNHPYKPTTIHETVPNGIGIPYPPPLPVFTTTGRQIKTHSATITTNGDAVKRNISIIGDIERKSNHLIPRSRSCNLFLRNNHNNYRNQNNNKLLELPKIVEKLSENNMIHHSRNNYNILNGIDMKV
					

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	31.1	Very low	29.8	Very low	247 Å²	247	171.5 Å²	171.5	100%	1.217	87%	0.865	S	S	*	*				0	88.4	0	-55.5	-54.1	-96.7	0	0	109.4
2	G	28.6	Very low	29.6	Very low	74 Å²	74	170.6 Å²	170.6	76%	0.763	86%	0.855	S	S	*	*			cis	127.9	116.1	6.9	0	0	0	0	0	109.8	I4	G2-I4 PolarHBondContact O-N 2.93Å
3	K	26.8	Very low	29.4	Very low	211 Å²	211	174.2 Å²	174.2	92%	0.917	85%	0.853	S	S	*	*			trans	-67.3	123.6	-175.3	-52.8	163.9	-175.5	169.5	0	110.7
4	I	31.4	Very low	29.1	Very low	174 Å²	174	171.4 Å²	171.4	89%	0.892	84%	0.843	S	S	*	*			trans	-132.8	154.8	148.4	-65	-171.3	0	0	0	107.6	G2	G2-I4 PolarHBondContact O-N 2.93Å
5	Q	29.7	Very low	29	Very low	161 Å²	161	170.1 Å²	170.1	75%	0.752	83%	0.834	S	S	*	*			trans	-151	167.5	-153.3	-166.2	-173.1	38.9	0	0	110.1
6	K	31.8	Very low	28.9	Very low	184 Å²	184	168.1 Å²	168.1	80%	0.8	82%	0.822	S	S	*	*			trans	81.7	153.5	170	-50.8	172.9	-177.6	177.4	0	115.9
7	S	28.6	Very low	28.8	Very low	97 Å²	97	168.8 Å²	168.8	68%	0.678	82%	0.823	S	S	*	*			cis	-173.6	137.6	-38.8	51.8	0	0	0	0	112.6
8	R	30.3	Very low	28.7	Very low	242 Å²	242	168.4 Å²	168.4	91%	0.913	83%	0.826	S	S	*	*			trans	65.1	171.5	153	-76.4	-177.3	-179.4	-168.2	1.8	116.2
9	P	31.1	Very low	28.6	Very low	124 Å²	124	165 Å²	165	81%	0.805	82%	0.82	S	S	*	*			cis	-111	-169.2	-0.3	39.5	-27.1	0	0	0	114.8
10	K	28.3	Very low	28.6	Very low	201 Å²	201	166.1 Å²	166.1	87%	0.874	82%	0.82	S	S	*	*			trans	-95.7	153.1	172.6	-57.8	173.1	178.7	177	0	109.8
11	L	29.6	Very low	28.4	Very low	172 Å²	172	168.5 Å²	168.5	90%	0.901	82%	0.821	S	S	*	*			trans	-144.6	179.9	144.9	-111.5	165.4	0	0	0	109.8
12	Q	28.3	Very low	28.4	Very low	160 Å²	160	164.1 Å²	164.1	75%	0.748	80%	0.803	S	S	*	*			trans	-109.9	152.8	-157.2	-64.8	175.3	-28.4	0	0	114.6
13	R	25.9	Very low	28.7	Very low	218 Å²	218	164.5 Å²	164.5	82%	0.823	79%	0.792	S	S	*	*			trans	51.3	133.3	139.5	-80.3	-177.7	174.7	166.2	-3.8	121.5
14	N	26	Very low	29.1	Very low	134 Å²	134	158.1 Å²	158.1	72%	0.717	77%	0.767	S	S	*	*			trans	103.3	138.7	145.3	-67.9	4.5	0	0	0	119.4
15	Q	27.5	Very low	29.8	Very low	152 Å²	152	155.9 Å²	155.9	71%	0.71	75%	0.753	S	S	*	*			trans	76.6	152.9	150.8	-77.8	177.3	-96.4	0	0	121.5
16	E	28.2	Very low	31	Very low	138 Å²	138	151.2 Å²	151.2	65%	0.645	74%	0.738	S	S	*	*			trans	31.7	118.4	170.9	-71.7	90.8	-100.7	0	0	119.6
17	Q	26.9	Very low	32	Very low	180 Å²	180	144.6 Å²	144.6	84%	0.841	71%	0.711	S	S	*	*				69.6	135.2	80.2	-76.6	-171.9	-22.6	0	0	115.5
18	D	25.9	Very low	33.8	Very low	163 Å²	163	145.8 Å²	145.8	87%	0.872	71%	0.706	S	S	*	*			trans	41.8	80.6	164.6	-68.4	-1.3	0	0	0	120
19	S	27.8	Very low	35.3	Very low	103 Å²	103	137.6 Å²	137.6	72%	0.72	68%	0.68	S	S	*	*			trans	-140.5	115.5	145	73.2	0	0	0	0	114.4
20	K	27.5	Very low	36.8	Very low	186 Å²	186	133 Å²	133	81%	0.809	65%	0.649	S	S	*	*				51.7	128.9	125.1	-61.6	165.7	-176.7	170.8	0	118.9	N22	K20-N22 PolarHBondContact O-N 3.18Å; K20-N22 VanDerWaalsContact O-N 3.17Å
21	Y	25.5	Very low	38.7	Very low	217 Å²	217	129.4 Å²	129.4	85%	0.851	63%	0.63	S	S	*	*			trans	20.8	86	134.4	-76.2	-102.8	0	0	0	116.6	P23	Y21-P23 WeakPolarHBondContact O-CD 3.45Å
22	N	31.4	Very low	40.8	Very low	155 Å²	155	125.1 Å²	125.1	83%	0.829	61%	0.607	S	S	*	*			trans	-75.9	112.8	151.4	-109.6	-63.5	0	0	0	107.1	K20	K20-N22 PolarHBondContact O-N 3.18Å; K20-N22 VanDerWaalsContact O-N 3.17Å
23	P	33.7	Very low	42.8	Very low	82 Å²	82	124.5 Å²	124.5	53%	0.532	60%	0.602	S	S	.	*			trans	-76.1	165.2	-162.1	31	-36.9	0	0	0	112.4	Y21 Q25	Y21-P23 WeakPolarHBondContact O-CD 3.45Å; P23-Q25 VanDerWaalsContact C-N 3.32Å; P23-Q25 PolarHBondContact O-N 3.45Å
24	I	35.7	Very low	44.8	Very low	78 Å²	78	114.7 Å²	114.7	40%	0.4	57%	0.566	S	S	.	*			trans	-65.3	98.6	159.4	-62	175.9	0	0	0	107	S26 L30 K77	I24-S26 PolarHBondContact O-N 2.83Å; I24-L30 HydrophobicContact CD1-CD1 4.09Å; I24-L30 HydrophobicContact CG2-CB 4.03Å; I24-L30 HydrophobicContact CG2-CD1 3.85Å; I24-K77 PolarHBondContact O-NZ 3.37Å
25	Q	46.3	Very low	47	Very low	127 Å²	127	112 Å²	112	59%	0.593	55%	0.548	S	S	*	.			trans	-61.7	106.7	-170.5	-75.4	179.7	-54.2	0	0	110.7	P23 D29	P23-Q25 VanDerWaalsContact C-N 3.32Å; P23-Q25 PolarHBondContact O-N 3.45Å; Q25-D29 WeakPolarHBondContact CB-OD2 3.26Å; Q25-D29 VanDerWaalsContact O-CB 3.29Å; Q25-D29 WeakPolarHBondContact O-CB 3.29Å; Q25-D29 VanDerWaalsContact O-CG 3.22Å
26	S	54	Low	49.3	Very low	63 Å²	63	109.8 Å²	109.8	44%	0.441	54%	0.538	S	S	.	.	H	α-helix	trans	56.7	-178.2	-173.6	82.6	0	0	0	0	114.9	I24 H28 K77	I24-S26 PolarHBondContact O-N 2.83Å; S26-H28 VanDerWaalsContact C-N 3.32Å; S26-H28 WeakPolarHBondContact OG-CA 3.32Å; S26-H28 WeakPolarHBondContact OG-CB 3.17Å; S26-H28 PolarHBondContact OG-N 3.32Å; S26-K77 PolarHBondContact O-NZ 3.01Å; S26-K77 VanDerWaalsContact O-NZ 3.09Å
27	N	54.2	Low	51.1	Low	44 Å²	44	106.8 Å²	106.8	24%	0.235	52%	0.524	C	S	.	.	H	α-helix	trans	-88.2	-7.2	167.7	-67.4	-1.2	0	0	0	111.4	R31 L70 E74 K77	N27-R31 WeakPolarHBondContact O-CB 3.26Å; N27-R31 PolarHBondContact O-N 2.98Å; N27-R31 VanDerWaalsContact O-N 3.14Å; N27-L70 HydrophobicContact CB-CD2 4.14Å; N27-E74 WeakPolarHBondContact ND2-CG 3.15Å; N27-E74 PolarHBondContact ND2-OE1 2.8Å; N27-K77 PolarHBondContact OD1-NZ 2.83Å
28	H	65.1	Low	52.6	Low	123 Å²	123	99.5 Å²	99.5	57%	0.569	49%	0.491	S	S	*	.	H	α-helix	trans	-71	-46.9	177.6	-162.1	66.1	0	0	0	111.1	S26 R31 I32	S26-H28 VanDerWaalsContact C-N 3.32Å; S26-H28 WeakPolarHBondContact OG-CA 3.32Å; S26-H28 WeakPolarHBondContact OG-CB 3.17Å; S26-H28 PolarHBondContact OG-N 3.32Å; H28-R31 CarbonylContact O-C 3.55Å; H28-R31 WeakPolarHBondContact O-CA 3.42Å; H28-R31 WeakPolarHBondContact O-CB 3.46Å; H28-R31 PolarHBondContact O-N 3.02Å; H28-R31 VanDerWaalsContact O-N 3.16Å; H28-I32 VanDerWaalsContact CD2-CD1 3.45Å; H28-I32 WeakPolarHBondContact CD2-CD1 3.23Å; H28-I32 WeakPolarHBondContact O-CG1 3.17Å; H28-I32 PolarHBondContact O-N 3.29Å
29	D	63.3	Low	54.4	Low	70 Å²	70	98 Å²	98	37%	0.374	47%	0.474	S	S	.	.	H	α-helix	trans	-71.3	-37	-176.9	-64.7	3.3	0	0	0	112.2	Q25 R31 I32 K33	Q25-D29 WeakPolarHBondContact CB-OD2 3.26Å; Q25-D29 VanDerWaalsContact O-CB 3.29Å; Q25-D29 WeakPolarHBondContact O-CB 3.29Å; Q25-D29 VanDerWaalsContact O-CG 3.22Å; D29-R31 VanDerWaalsContact C-N 3.3Å; D29-R31 PolarHBondContact O-N 3.26Å; D29-I32 PolarHBondContact O-N 3.1Å; D29-K33 VanDerWaalsContact O-CB 3.28Å; D29-K33 WeakPolarHBondContact O-CB 3.42Å; D29-K33 PolarHBondContact O-N 2.97Å
30	L	62.3	Low	56.2	Low	27 Å²	27	96.5 Å²	96.5	14%	0.141	46%	0.455	C	S	.	.	H	α-helix	trans	-62.2	-41.6	171.2	-164.2	102.6	0	0	0	110.6	I24 K33 L34 L70 E73	I24-L30 HydrophobicContact CD1-CD1 4.09Å; I24-L30 HydrophobicContact CG2-CB 4.03Å; I24-L30 HydrophobicContact CG2-CD1 3.85Å; L30-K33 PolarHBondContact O-N 3.48Å; L30-L34 HydrophobicContact CD2-CD1 3.87Å; L30-L34 HydrophobicContact CG-CD1 4.21Å; L30-L34 WeakPolarHBondContact O-CB 3.39Å; L30-L34 VanDerWaalsContact O-CG 3.26Å; L30-L34 WeakPolarHBondContact O-CG 3.42Å; L30-L34 PolarHBondContact O-N 3.11Å; L30-L70 HydrophobicContact CB-CD2 4.49Å; L30-L70 HydrophobicContact CD2-CD2 3.8Å; L30-L70 HydrophobicContact CD2-CG 4.47Å; L30-E73 HydrophobicContact CD1-CG 4.1Å; L30-E73 HydrophobicContact CD2-CB 4.32Å; L30-E73 HydrophobicContact CD2-CG 3.76Å
31	R	69	Low	57.7	Low	125 Å²	125	92.2 Å²	92.2	47%	0.472	44%	0.437	S	S	.	.	H	α-helix	trans	-63.9	-47.8	175.3	178.7	174.5	175.4	164.5	2.7	111.8	N27 H28 D29 K33 L34 E35 L70	N27-R31 WeakPolarHBondContact O-CB 3.26Å; N27-R31 PolarHBondContact O-N 2.98Å; N27-R31 VanDerWaalsContact O-N 3.14Å; H28-R31 CarbonylContact O-C 3.55Å; H28-R31 WeakPolarHBondContact O-CA 3.42Å; H28-R31 WeakPolarHBondContact O-CB 3.46Å; H28-R31 PolarHBondContact O-N 3.02Å; H28-R31 VanDerWaalsContact O-N 3.16Å; D29-R31 VanDerWaalsContact C-N 3.3Å; D29-R31 PolarHBondContact O-N 3.26Å; R31-K33 VanDerWaalsContact C-N 3.3Å; R31-K33 PolarHBondContact O-N 3.43Å; R31-L34 PolarHBondContact O-N 3.3Å; R31-E35 HydrophobicContact CG-CG 4.17Å; R31-E35 IonicContact CZ-OE1 2.93Å; R31-E35 VanDerWaalsContact CZ-OE1 3.28Å; R31-E35 IonicContact NE-OE1 2.76Å; R31-E35 PolarHBondContact NE-OE1 2.83Å; R31-E35 IonicContact NE-OE2 3.39Å; R31-E35 IonicContact NH2-OE1 2.96Å; R31-E35 PolarHBondContact NH2-OE1 3.17Å; R31-E35 WeakPolarHBondContact O-CB 3.48Å; R31-E35 WeakPolarHBondContact O-CG 3.37Å; R31-E35 PolarHBondContact O-N 3.31Å; R31-L70 HydrophobicContact CB-CD1 4.48Å; R31-L70 HydrophobicContact CB-CD2 4.25Å
32	I	72.7	Confident	59.3	Low	83 Å²	83	84.1 Å²	84.1	43%	0.426	41%	0.41	S	S	.	.	H	α-helix	trans	-56.7	-44.8	175	-72.3	164.7	0	0	0	110.4	H28 D29 L34 E35 H36	H28-I32 VanDerWaalsContact CD2-CD1 3.45Å; H28-I32 WeakPolarHBondContact CD2-CD1 3.23Å; H28-I32 WeakPolarHBondContact O-CG1 3.17Å; H28-I32 PolarHBondContact O-N 3.29Å; D29-I32 PolarHBondContact O-N 3.1Å; I32-L34 PolarHBondContact O-N 3.31Å; I32-E35 PolarHBondContact O-N 3.17Å; I32-H36 VanDerWaalsContact O-CB 3.24Å; I32-H36 WeakPolarHBondContact O-CB 3.48Å; I32-H36 PolarHBondContact O-N 2.76Å
33	K	71.2	Confident	60.6	Low	147 Å²	147	81 Å²	81	64%	0.639	39%	0.387	S	S	*	.	H	α-helix	trans	-63.1	-41.7	178.8	-170.7	174.5	-177.8	177.5	0	112	D29 L30 R31 E37	D29-K33 VanDerWaalsContact O-CB 3.28Å; D29-K33 WeakPolarHBondContact O-CB 3.42Å; D29-K33 PolarHBondContact O-N 2.97Å; L30-K33 PolarHBondContact O-N 3.48Å; R31-K33 VanDerWaalsContact C-N 3.3Å; R31-K33 PolarHBondContact O-N 3.43Å; K33-E37 PolarHBondContact O-N 3.48Å
34	L	67.7	Low	61.6	Low	12 Å²	12	83.7 Å²	83.7	6%	0.063	39%	0.392	C	S	.	.	H	α-helix	trans	-73.8	-36.7	176.9	-69.1	169.7	0	0	0	113.1	L30 R31 I32 E37 L38 I66 R69	L30-L34 HydrophobicContact CD2-CD1 3.87Å; L30-L34 HydrophobicContact CG-CD1 4.21Å; L30-L34 WeakPolarHBondContact O-CB 3.39Å; L30-L34 VanDerWaalsContact O-CG 3.26Å; L30-L34 WeakPolarHBondContact O-CG 3.42Å; L30-L34 PolarHBondContact O-N 3.11Å; R31-L34 PolarHBondContact O-N 3.3Å; I32-L34 PolarHBondContact O-N 3.31Å; L34-E37 PolarHBondContact O-N 2.8Å; L34-L38 WeakPolarHBondContact O-CB 3.11Å; L34-L38 PolarHBondContact O-N 2.91Å; L34-I66 HydrophobicContact CB-CD1 4.4Å; L34-I66 HydrophobicContact CB-CG1 4.06Å; L34-R69 HydrophobicContact CD1-CB 3.98Å
35	E	72.1	Confident	62.4	Low	76 Å²	76	81.3 Å²	81.3	36%	0.355	38%	0.384	S	S	.	.	H	α-helix	trans	-69.5	-33.7	174	-74.6	177.7	164.8	0	0	111.1	R31 I32 L38 Y39 I66	R31-E35 HydrophobicContact CG-CG 4.17Å; R31-E35 IonicContact CZ-OE1 2.93Å; R31-E35 VanDerWaalsContact CZ-OE1 3.28Å; R31-E35 IonicContact NE-OE1 2.76Å; R31-E35 PolarHBondContact NE-OE1 2.83Å; R31-E35 IonicContact NE-OE2 3.39Å; R31-E35 IonicContact NH2-OE1 2.96Å; R31-E35 PolarHBondContact NH2-OE1 3.17Å; R31-E35 WeakPolarHBondContact O-CB 3.48Å; R31-E35 WeakPolarHBondContact O-CG 3.37Å; R31-E35 PolarHBondContact O-N 3.31Å; I32-E35 PolarHBondContact O-N 3.17Å; E35-L38 WeakPolarHBondContact O-CB 3.31Å; E35-L38 PolarHBondContact O-N 2.82Å; E35-Y39 WeakPolarHBondContact O-CB 3.46Å; E35-Y39 PolarHBondContact O-N 3.47Å; E35-I66 HydrophobicContact CG-CD1 4.33Å
36	H	74.1	Confident	62.7	Low	106 Å²	106	79 Å²	79	49%	0.491	38%	0.379	S	S	.	.	H	α-helix	trans	-69.8	-42.8	170.4	-177.6	-118.3	0	0	0	111.9	I32 L38 Y39 Q40	I32-H36 VanDerWaalsContact O-CB 3.24Å; I32-H36 WeakPolarHBondContact O-CB 3.48Å; I32-H36 PolarHBondContact O-N 2.76Å; H36-L38 VanDerWaalsContact C-N 3.32Å; H36-L38 PolarHBondContact O-N 3.44Å; H36-Y39 WeakPolarHBondContact O-CB 3.4Å; H36-Y39 PolarHBondContact O-N 3.46Å; H36-Q40 PolarHBondContact NE2-NE2 3.14Å; H36-Q40 WeakPolarHBondContact O-CG 3.47Å; H36-Q40 PolarHBondContact O-N 2.84Å
37	E	66.5	Low	62.4	Low	75 Å²	75	80 Å²	80	35%	0.35	38%	0.376	S	S	.	.	H	α-helix	trans	-58.4	-43.2	170.1	-92.5	-161.5	-149.7	0	0	112.2	K33 L34 Q40 K41	K33-E37 PolarHBondContact O-N 3.48Å; L34-E37 PolarHBondContact O-N 2.8Å; E37-Q40 PolarHBondContact O-N 2.91Å; E37-K41 WeakPolarHBondContact O-CB 3.14Å; E37-K41 VanDerWaalsContact O-CG 3.29Å; E37-K41 WeakPolarHBondContact O-CG 3.49Å; E37-K41 PolarHBondContact O-N 2.94Å; E37-K41 IonicContact OE2-NZ 2.79Å; E37-K41 PolarHBondContact OE2-NZ 3.3Å
38	L	59.1	Low	61.9	Low	28 Å²	28	82.8 Å²	82.8	15%	0.147	39%	0.394	C	S	.	.	H	α-helix	trans	-59.4	-47.8	174.3	175.2	59.3	0	0	0	110.6	L34 E35 H36 Q40 K41 V42 L59 F62 I66	L34-L38 WeakPolarHBondContact O-CB 3.11Å; L34-L38 PolarHBondContact O-N 2.91Å; E35-L38 WeakPolarHBondContact O-CB 3.31Å; E35-L38 PolarHBondContact O-N 2.82Å; H36-L38 VanDerWaalsContact C-N 3.32Å; H36-L38 PolarHBondContact O-N 3.44Å; L38-Q40 VanDerWaalsContact C-N 3.34Å; L38-Q40 PolarHBondContact O-N 3.04Å; L38-K41 PolarHBondContact O-N 3.35Å; L38-V42 HydrophobicContact CD1-CG2 3.56Å; L38-V42 HydrophobicContact CG-CG2 4.15Å; L38-V42 VanDerWaalsContact O-CB 3.32Å; L38-V42 WeakPolarHBondContact O-CB 3.21Å; L38-V42 VanDerWaalsContact O-CG2 3.29Å; L38-V42 WeakPolarHBondContact O-CG2 3.23Å; L38-V42 PolarHBondContact O-N 3.04Å; L38-L59 HydrophobicContact CD1-CD2 4.25Å; L38-L59 HydrophobicContact CD2-CD2 4.35Å; L38-F62 HydrophobicContact CB-CD1 3.95Å; L38-F62 HydrophobicContact CB-CE1 3.62Å; L38-F62 HydrophobicContact CB-CZ 4.12Å; L38-F62 HydrophobicContact CD1-CB 4.06Å; L38-F62 HydrophobicContact CD1-CD1 3.68Å; L38-F62 HydrophobicContact CD1-CD2 4.17Å; L38-F62 HydrophobicContact CD1-CE1 4.13Å; L38-F62 HydrophobicContact CD1-CG 3.71Å; L38-F62 HydrophobicContact CD2-CD1 4.12Å; L38-F62 HydrophobicContact CG-CD1 4.12Å; L38-F62 HydrophobicContact CG-CE1 4.3Å; L38-I66 HydrophobicContact CD2-CD1 4.22Å
39	Y	63.5	Low	60.6	Low	132 Å²	132	79.4 Å²	79.4	52%	0.518	38%	0.384	S	S	.	.	H	α-helix	trans	-56.8	-46.8	178.4	-176.9	-93.6	0	0	0	111.3	E35 H36 V42 R43	E35-Y39 WeakPolarHBondContact O-CB 3.46Å; E35-Y39 PolarHBondContact O-N 3.47Å; H36-Y39 WeakPolarHBondContact O-CB 3.4Å; H36-Y39 PolarHBondContact O-N 3.46Å; Y39-V42 PolarHBondContact O-N 3Å; Y39-R43 VanDerWaalsContact O-CB 3.22Å; Y39-R43 WeakPolarHBondContact O-CB 3.43Å; Y39-R43 PolarHBondContact O-N 3.35Å
40	Q	65.6	Low	59.7	Low	70 Å²	70	80.8 Å²	80.8	33%	0.327	40%	0.396	S	S	.	.	H	α-helix	trans	-64.6	-44.7	176.8	-60.5	-62.3	-11.5	0	0	112.2	H36 E37 L38 V42 R43 Q44	H36-Q40 PolarHBondContact NE2-NE2 3.14Å; H36-Q40 WeakPolarHBondContact O-CG 3.47Å; H36-Q40 PolarHBondContact O-N 2.84Å; E37-Q40 PolarHBondContact O-N 2.91Å; L38-Q40 VanDerWaalsContact C-N 3.34Å; L38-Q40 PolarHBondContact O-N 3.04Å; Q40-V42 PolarHBondContact O-N 2.72Å; Q40-R43 PolarHBondContact O-N 3.23Å; Q40-Q44 WeakPolarHBondContact O-CG 3.29Å; Q40-Q44 PolarHBondContact O-N 3.5Å
41	K	59.4	Low	58.8	Low	96 Å²	96	87.3 Å²	87.3	42%	0.417	42%	0.419	S	S	.	.	H	α-helix	trans	-65.4	-36.3	178.4	-73.1	166	178.3	167.8	0	112.4	E37 L38 A45 F62	E37-K41 WeakPolarHBondContact O-CB 3.14Å; E37-K41 VanDerWaalsContact O-CG 3.29Å; E37-K41 WeakPolarHBondContact O-CG 3.49Å; E37-K41 PolarHBondContact O-N 2.94Å; E37-K41 IonicContact OE2-NZ 2.79Å; E37-K41 PolarHBondContact OE2-NZ 3.3Å; L38-K41 PolarHBondContact O-N 3.35Å; K41-A45 WeakPolarHBondContact O-CB 3.46Å; K41-A45 PolarHBondContact O-N 3.24Å; K41-F62 HydrophobicContact CD-CE2 3.78Å; K41-F62 HydrophobicContact CD-CZ 4.2Å
42	V	57.7	Low	57.7	Low	47 Å²	47	86.5 Å²	86.5	29%	0.285	42%	0.421	S	S	.	.	H	α-helix	trans	-70.8	-44.9	173.5	169.7	0	0	0	0	110.6	L38 Y39 Q40 Q44 A45 V46 L59	L38-V42 HydrophobicContact CD1-CG2 3.56Å; L38-V42 HydrophobicContact CG-CG2 4.15Å; L38-V42 VanDerWaalsContact O-CB 3.32Å; L38-V42 WeakPolarHBondContact O-CB 3.21Å; L38-V42 VanDerWaalsContact O-CG2 3.29Å; L38-V42 WeakPolarHBondContact O-CG2 3.23Å; L38-V42 PolarHBondContact O-N 3.04Å; Y39-V42 PolarHBondContact O-N 3Å; Q40-V42 PolarHBondContact O-N 2.72Å; V42-Q44 VanDerWaalsContact C-N 3.27Å; V42-Q44 PolarHBondContact O-N 2.95Å; V42-A45 CarbonylContact O-C 3.47Å; V42-A45 PolarHBondContact O-N 3Å; V42-V46 HydrophobicContact CG1-CG2 3.89Å; V42-V46 WeakPolarHBondContact O-CB 3.43Å; V42-V46 VanDerWaalsContact O-CG2 3.26Å; V42-V46 WeakPolarHBondContact O-CG2 3.26Å; V42-V46 PolarHBondContact O-N 3.1Å; V42-L59 HydrophobicContact CG2-CD2 4.34Å
43	R	58.7	Low	56.4	Low	91 Å²	91	90.8 Å²	90.8	34%	0.343	43%	0.431	S	S	.	.	H	α-helix	trans	-58.5	-40.2	176.7	-161.3	176	-165.5	-172.7	6.5	111.4	Y39 Q40 H47	Y39-R43 VanDerWaalsContact O-CB 3.22Å; Y39-R43 WeakPolarHBondContact O-CB 3.43Å; Y39-R43 PolarHBondContact O-N 3.35Å; Q40-R43 PolarHBondContact O-N 3.23Å; R43-H47 PolarHBondContact O-CD2 3.42Å; R43-H47 VanDerWaalsContact O-CD2 3.26Å
44	Q	55.4	Low	55.6	Low	138 Å²	138	87.3 Å²	87.3	65%	0.645	42%	0.419	S	S	*	.	H	α-helix	trans	-64.2	-46.9	170.9	-71.2	173.7	4.2	0	0	112.6	Q40 V42 H47	Q40-Q44 WeakPolarHBondContact O-CG 3.29Å; Q40-Q44 PolarHBondContact O-N 3.5Å; V42-Q44 VanDerWaalsContact C-N 3.27Å; V42-Q44 PolarHBondContact O-N 2.95Å; Q44-H47 PolarHBondContact O-N 3.09Å
45	A	53.3	Low	54.9	Low	28 Å²	28	89.6 Å²	89.6	23%	0.231	43%	0.431	C	S	.	.	H	α-helix	trans	-71.1	-29.3	-178.2	0	0	0	0	0	114.3	K41 V42 H47 T48	K41-A45 WeakPolarHBondContact O-CB 3.46Å; K41-A45 PolarHBondContact O-N 3.24Å; V42-A45 CarbonylContact O-C 3.47Å; V42-A45 PolarHBondContact O-N 3Å; A45-H47 PolarHBondContact O-N 2.97Å; A45-T48 PolarHBondContact O-N 2.68Å; A45-T48 VanDerWaalsContact O-N 3.12Å; A45-T48 PolarHBondContact O-OG1 3.3Å
46	V	51.8	Low	54	Low	79 Å²	79	91.4 Å²	91.4	48%	0.479	43%	0.434	S	S	.	.	H	α-helix	trans	-66.5	-24.5	179.2	163.4	0	0	0	0	111.9	V42 T48	V42-V46 HydrophobicContact CG1-CG2 3.89Å; V42-V46 WeakPolarHBondContact O-CB 3.43Å; V42-V46 VanDerWaalsContact O-CG2 3.26Å; V42-V46 WeakPolarHBondContact O-CG2 3.26Å; V42-V46 PolarHBondContact O-N 3.1Å; V46-T48 PolarHBondContact O-N 3.31Å
47	H	47.8	Very low	53.1	Low	83 Å²	83	94.5 Å²	94.5	38%	0.384	44%	0.442	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-5.3	173.2	-69.1	-52.1	0	0	0	114.3	R43 Q44 A45 P49 R1334	R43-H47 PolarHBondContact O-CD2 3.42Å; R43-H47 VanDerWaalsContact O-CD2 3.26Å; Q44-H47 PolarHBondContact O-N 3.09Å; A45-H47 PolarHBondContact O-N 2.97Å; H47-P49 WeakPolarHBondContact O-CD 3.06Å; H47-R1334 PolarHBondContact O-NE 2.9Å; H47-R1334 PolarHBondContact O-NH2 3.27Å
48	T	43.4	Very low	52.6	Low	102 Å²	102	98.4 Å²	98.4	63%	0.626	45%	0.453	S	S	*	.	S	Bend	trans	-115.4	94	174.8	28.9	0	0	0	0	113.6	A45 V46	A45-T48 PolarHBondContact O-N 2.68Å; A45-T48 VanDerWaalsContact O-N 3.12Å; A45-T48 PolarHBondContact O-OG1 3.3Å; V46-T48 PolarHBondContact O-N 3.31Å
49	P	38.6	Very low	52.7	Low	53 Å²	53	99.9 Å²	99.9	34%	0.344	46%	0.461	S	S	.	.			trans	-97.2	153.3	-179.3	30.9	-24.8	0	0	0	114	H47 R1330	H47-P49 WeakPolarHBondContact O-CD 3.06Å; P49-R1330 PolarHBondContact O-NH1 2.84Å
50	P	43.4	Very low	52.6	Low	98 Å²	98	98.7 Å²	98.7	64%	0.636	46%	0.464	S	S	*	.			cis	-138.2	122.1	-4.7	36	-14.7	0	0	0	115
51	R	44.1	Very low	52.4	Low	164 Å²	164	99.8 Å²	99.8	62%	0.619	47%	0.469	S	S	*	.			trans	-139.6	96.2	150.2	-85.6	-169.1	175.1	-172.6	1.3	109.7	R53 I54 I55	R51-R53 PolarHBondContact O-N 3.15Å; R51-I54 HydrophobicContact CB-CB 4Å; R51-I54 HydrophobicContact CB-CD1 3.85Å; R51-I54 HydrophobicContact CB-CG1 3.78Å; R51-I54 HydrophobicContact CG-CD1 4.31Å; R51-I54 WeakPolarHBondContact O-CA 3.2Å; R51-I54 WeakPolarHBondContact O-CB 3.22Å; R51-I54 PolarHBondContact O-N 2.85Å; R51-I55 PolarHBondContact O-N 2.86Å; R51-I55 VanDerWaalsContact O-N 3.12Å
52	E	44.8	Very low	52.4	Low	109 Å²	109	97.1 Å²	97.1	51%	0.509	46%	0.457	S	S	.	.	H	α-helix	trans	-57.4	-32.9	175.1	-160.6	-160.7	144.8	0	0	112.1	I54 I55 R56	E52-I54 VanDerWaalsContact C-N 3.29Å; E52-I54 PolarHBondContact O-N 3.37Å; E52-I55 PolarHBondContact O-N 3.03Å; E52-I55 VanDerWaalsContact O-N 3.13Å; E52-R56 PolarHBondContact O-N 3.02Å; E52-R56 IonicContact OE1-CZ 2.76Å; E52-R56 IonicContact OE1-NE 3.94Å; E52-R56 PolarHBondContact OE1-NE 2.91Å; E52-R56 IonicContact OE1-NH2 3.56Å; E52-R56 PolarHBondContact OE1-NH2 3.15Å
53	R	46.9	Very low	52.8	Low	172 Å²	172	100.4 Å²	100.4	65%	0.649	47%	0.469	S	S	*	.	H	α-helix	trans	-59.5	-33.6	169.4	-79.9	-168.4	-176.8	173.5	2.4	113.5	R51 R57	R51-R53 PolarHBondContact O-N 3.15Å; R53-R57 WeakPolarHBondContact O-CB 3.49Å; R53-R57 PolarHBondContact O-N 2.88Å
54	I	52.9	Low	53.4	Low	75 Å²	75	100.4 Å²	100.4	39%	0.385	47%	0.47	S	S	.	.	H	α-helix	trans	-74.9	-36.5	174.3	-66.6	-179.9	0	0	0	110.1	R51 E52 R58	R51-I54 HydrophobicContact CB-CB 4Å; R51-I54 HydrophobicContact CB-CD1 3.85Å; R51-I54 HydrophobicContact CB-CG1 3.78Å; R51-I54 HydrophobicContact CG-CD1 4.31Å; R51-I54 WeakPolarHBondContact O-CA 3.2Å; R51-I54 WeakPolarHBondContact O-CB 3.22Å; R51-I54 PolarHBondContact O-N 2.85Å; E52-I54 VanDerWaalsContact C-N 3.29Å; E52-I54 PolarHBondContact O-N 3.37Å; I54-R58 HydrophobicContact CG2-CG 4.35Å; I54-R58 VanDerWaalsContact O-CB 3.27Å; I54-R58 WeakPolarHBondContact O-CB 3.48Å; I54-R58 VanDerWaalsContact O-CG 3.3Å; I54-R58 WeakPolarHBondContact O-CG 3.39Å; I54-R58 PolarHBondContact O-N 3.44Å
55	I	53.8	Low	53.7	Low	59 Å²	59	96.1 Å²	96.1	30%	0.303	45%	0.45	S	S	.	.	H	α-helix	trans	-66.9	-49.3	176.5	-61.2	174.6	0	0	0	110.8	R51 E52 R58 L59	R51-I55 PolarHBondContact O-N 2.86Å; R51-I55 VanDerWaalsContact O-N 3.12Å; E52-I55 PolarHBondContact O-N 3.03Å; E52-I55 VanDerWaalsContact O-N 3.13Å; I55-R58 PolarHBondContact O-N 2.91Å; I55-L59 HydrophobicContact CG2-CD1 4.03Å; I55-L59 WeakPolarHBondContact O-CB 3.34Å; I55-L59 WeakPolarHBondContact O-CG 3.46Å; I55-L59 PolarHBondContact O-N 3.36Å
56	R	52.1	Low	54.5	Low	115 Å²	115	95.4 Å²	95.4	43%	0.434	44%	0.442	S	S	.	.	H	α-helix	trans	-62.6	-41.8	174	-68.4	-170.2	-170.3	-139.4	5.3	112.1	E52 L59 N60	E52-R56 PolarHBondContact O-N 3.02Å; E52-R56 IonicContact OE1-CZ 2.76Å; E52-R56 IonicContact OE1-NE 3.94Å; E52-R56 PolarHBondContact OE1-NE 2.91Å; E52-R56 IonicContact OE1-NH2 3.56Å; E52-R56 PolarHBondContact OE1-NH2 3.15Å; R56-L59 PolarHBondContact O-N 2.86Å; R56-N60 PolarHBondContact O-N 3.49Å; R56-N60 PolarHBondContact O-OD1 2.88Å; R56-N60 VanDerWaalsContact O-OD1 3.05Å
57	R	55.4	Low	55.5	Low	171 Å²	171	98 Å²	98	65%	0.645	45%	0.449	S	S	*	.	H	α-helix	trans	-62.1	-46	176.4	178.8	166.6	175.9	172.5	0.3	111.5	R53 N60 E61	R53-R57 WeakPolarHBondContact O-CB 3.49Å; R53-R57 PolarHBondContact O-N 2.88Å; R57-N60 PolarHBondContact O-N 2.9Å; R57-E61 VanDerWaalsContact CG-CD 3.47Å; R57-E61 HydrophobicContact CG-CG 4.34Å; R57-E61 WeakPolarHBondContact CG-OE1 3.37Å; R57-E61 IonicContact CZ-OE1 3.12Å; R57-E61 IonicContact NE-OE1 3.32Å; R57-E61 PolarHBondContact NE-OE1 3.09Å; R57-E61 IonicContact NH2-OE1 2.96Å; R57-E61 PolarHBondContact NH2-OE1 2.89Å; R57-E61 VanDerWaalsContact O-CB 3.31Å; R57-E61 WeakPolarHBondContact O-CB 3.49Å; R57-E61 WeakPolarHBondContact O-CG 3.19Å; R57-E61 PolarHBondContact O-N 2.8Å
58	R	56.2	Low	56.7	Low	156 Å²	156	96.2 Å²	96.2	59%	0.589	44%	0.44	S	S	*	.	H	α-helix	trans	-64.5	-36.5	173.3	-75.9	179	174.2	-176.8	-2.6	113.1	I54 I55 F62	I54-R58 HydrophobicContact CG2-CG 4.35Å; I54-R58 VanDerWaalsContact O-CB 3.27Å; I54-R58 WeakPolarHBondContact O-CB 3.48Å; I54-R58 VanDerWaalsContact O-CG 3.3Å; I54-R58 WeakPolarHBondContact O-CG 3.39Å; I54-R58 PolarHBondContact O-N 3.44Å; I55-R58 PolarHBondContact O-N 2.91Å; R58-F62 WeakPolarHBondContact O-CB 3.39Å; R58-F62 PolarHBondContact O-N 3.42Å
59	L	60.8	Low	57.9	Low	60 Å²	60	96.7 Å²	96.7	31%	0.314	43%	0.431	S	S	.	.	H	α-helix	trans	-63.9	-43.4	174.3	-83.8	164	0	0	0	111.5	L38 V42 I55 R56 F62 Q63	L38-L59 HydrophobicContact CD1-CD2 4.25Å; L38-L59 HydrophobicContact CD2-CD2 4.35Å; V42-L59 HydrophobicContact CG2-CD2 4.34Å; I55-L59 HydrophobicContact CG2-CD1 4.03Å; I55-L59 WeakPolarHBondContact O-CB 3.34Å; I55-L59 WeakPolarHBondContact O-CG 3.46Å; I55-L59 PolarHBondContact O-N 3.36Å; R56-L59 PolarHBondContact O-N 2.86Å; L59-F62 PolarHBondContact O-N 3.49Å; L59-Q63 WeakPolarHBondContact O-CB 3.38Å; L59-Q63 WeakPolarHBondContact O-CG 3.42Å; L59-Q63 PolarHBondContact O-N 2.66Å
60	N	62.2	Low	59.6	Low	107 Å²	107	95.4 Å²	95.4	57%	0.572	42%	0.42	S	S	*	.	H	α-helix	trans	-69.3	-43.5	176.5	-69.4	28.5	0	0	0	111.5	R56 R57 F62 Q63 Y64	R56-N60 PolarHBondContact O-N 3.49Å; R56-N60 PolarHBondContact O-OD1 2.88Å; R56-N60 VanDerWaalsContact O-OD1 3.05Å; R57-N60 PolarHBondContact O-N 2.9Å; N60-F62 PolarHBondContact O-N 3.33Å; N60-Q63 PolarHBondContact O-N 3.46Å; N60-Y64 VanDerWaalsContact O-CB 3.23Å; N60-Y64 WeakPolarHBondContact O-CB 3.43Å; N60-Y64 PolarHBondContact O-N 3.13Å
61	E	60.9	Low	61	Low	92 Å²	92	95.6 Å²	95.6	43%	0.43	41%	0.411	S	S	.	.	H	α-helix	trans	-60.3	-34	173.8	-72.5	162.4	169.4	0	0	111.4	R57 E65	R57-E61 VanDerWaalsContact CG-CD 3.47Å; R57-E61 HydrophobicContact CG-CG 4.34Å; R57-E61 WeakPolarHBondContact CG-OE1 3.37Å; R57-E61 IonicContact CZ-OE1 3.12Å; R57-E61 IonicContact NE-OE1 3.32Å; R57-E61 PolarHBondContact NE-OE1 3.09Å; R57-E61 IonicContact NH2-OE1 2.96Å; R57-E61 PolarHBondContact NH2-OE1 2.89Å; R57-E61 VanDerWaalsContact O-CB 3.31Å; R57-E61 WeakPolarHBondContact O-CB 3.49Å; R57-E61 WeakPolarHBondContact O-CG 3.19Å; R57-E61 PolarHBondContact O-N 2.8Å; E61-E65 WeakPolarHBondContact O-CB 3.47Å; E61-E65 PolarHBondContact O-N 3.22Å
62	F	59.9	Low	62.1	Low	41 Å²	41	89.7 Å²	89.7	18%	0.18	39%	0.392	C	S	.	.	H	α-helix	trans	-84.2	-35.4	177.4	-154.7	-74.1	0	0	0	113.5	L38 K41 R58 L59 N60 Y64 E65 I66	L38-F62 HydrophobicContact CB-CD1 3.95Å; L38-F62 HydrophobicContact CB-CE1 3.62Å; L38-F62 HydrophobicContact CB-CZ 4.12Å; L38-F62 HydrophobicContact CD1-CB 4.06Å; L38-F62 HydrophobicContact CD1-CD1 3.68Å; L38-F62 HydrophobicContact CD1-CD2 4.17Å; L38-F62 HydrophobicContact CD1-CE1 4.13Å; L38-F62 HydrophobicContact CD1-CG 3.71Å; L38-F62 HydrophobicContact CD2-CD1 4.12Å; L38-F62 HydrophobicContact CG-CD1 4.12Å; L38-F62 HydrophobicContact CG-CE1 4.3Å; K41-F62 HydrophobicContact CD-CE2 3.78Å; K41-F62 HydrophobicContact CD-CZ 4.2Å; R58-F62 WeakPolarHBondContact O-CB 3.39Å; R58-F62 PolarHBondContact O-N 3.42Å; L59-F62 PolarHBondContact O-N 3.49Å; N60-F62 PolarHBondContact O-N 3.33Å; F62-Y64 VanDerWaalsContact C-N 3.26Å; F62-Y64 PolarHBondContact O-N 2.9Å; F62-E65 CarbonylContact O-C 3.5Å; F62-E65 PolarHBondContact O-N 2.84Å; F62-I66 HydrophobicContact CD1-CD1 3.67Å; F62-I66 HydrophobicContact CD1-CG1 3.73Å; F62-I66 HydrophobicContact CE1-CD1 3.79Å; F62-I66 HydrophobicContact CE1-CG1 3.76Å; F62-I66 WeakPolarHBondContact O-CG1 3.37Å; F62-I66 PolarHBondContact O-N 2.68Å
63	Q	66.3	Low	63	Low	116 Å²	116	86 Å²	86	54%	0.542	37%	0.374	S	S	.	.	H	α-helix	trans	-61	-41	169.5	-83	-172.3	-31.8	0	0	110.6	L59 N60 I66 Q67	L59-Q63 WeakPolarHBondContact O-CB 3.38Å; L59-Q63 WeakPolarHBondContact O-CG 3.42Å; L59-Q63 PolarHBondContact O-N 2.66Å; N60-Q63 PolarHBondContact O-N 3.46Å; Q63-I66 PolarHBondContact O-N 2.96Å; Q63-Q67 WeakPolarHBondContact O-CG 3.41Å; Q63-Q67 PolarHBondContact O-N 3.22Å
64	Y	70.6	Confident	64.1	Low	90 Å²	90	82.3 Å²	82.3	35%	0.353	36%	0.364	S	S	.	.	H	α-helix	trans	-59.7	-46.6	171.4	177.3	-95	0	0	0	111.7	N60 F62 I66 Q67 K68 G384	N60-Y64 VanDerWaalsContact O-CB 3.23Å; N60-Y64 WeakPolarHBondContact O-CB 3.43Å; N60-Y64 PolarHBondContact O-N 3.13Å; F62-Y64 VanDerWaalsContact C-N 3.26Å; F62-Y64 PolarHBondContact O-N 2.9Å; Y64-I66 PolarHBondContact O-N 3.42Å; Y64-Q67 PolarHBondContact O-N 3.22Å; Y64-K68 WeakPolarHBondContact O-CB 3.21Å; Y64-K68 PolarHBondContact O-N 2.94Å; Y64-G384 WeakPolarHBondContact OH-CA 3.3Å; Y64-G384 PolarHBondContact OH-O 3.05Å
65	E	63.4	Low	64.7	Low	49 Å²	49	82.8 Å²	82.8	23%	0.229	37%	0.365	C	S	.	.	H	α-helix	trans	-65.7	-34	176.2	-177.7	63.8	-172.7	0	0	113.1	E61 F62 K68 R69	E61-E65 WeakPolarHBondContact O-CB 3.47Å; E61-E65 PolarHBondContact O-N 3.22Å; F62-E65 CarbonylContact O-C 3.5Å; F62-E65 PolarHBondContact O-N 2.84Å; E65-K68 WeakPolarHBondContact OE2-CD 3.46Å; E65-R69 WeakPolarHBondContact O-CB 3.32Å; E65-R69 VanDerWaalsContact O-CG 3.26Å; E65-R69 WeakPolarHBondContact O-CG 3.41Å; E65-R69 PolarHBondContact O-N 3.4Å; E65-R69 IonicContact OE1-CZ 3.66Å; E65-R69 IonicContact OE1-NE 2.56Å; E65-R69 PolarHBondContact OE1-NE 3.4Å; E65-R69 IonicContact OE1-NH2 3.94Å; E65-R69 PolarHBondContact OE1-NH2 2.76Å
66	I	69.8	Low	65.1	Low	13 Å²	13	83.8 Å²	83.8	7%	0.067	37%	0.367	C	S	.	.	H	α-helix	trans	-63.5	-49.1	171	-71.8	174.1	0	0	0	110.1	L34 E35 L38 F62 Q63 Y64 K68 R69 L70	L34-I66 HydrophobicContact CB-CD1 4.4Å; L34-I66 HydrophobicContact CB-CG1 4.06Å; E35-I66 HydrophobicContact CG-CD1 4.33Å; L38-I66 HydrophobicContact CD2-CD1 4.22Å; F62-I66 HydrophobicContact CD1-CD1 3.67Å; F62-I66 HydrophobicContact CD1-CG1 3.73Å; F62-I66 HydrophobicContact CE1-CD1 3.79Å; F62-I66 HydrophobicContact CE1-CG1 3.76Å; F62-I66 WeakPolarHBondContact O-CG1 3.37Å; F62-I66 PolarHBondContact O-N 2.68Å; Q63-I66 PolarHBondContact O-N 2.96Å; Y64-I66 PolarHBondContact O-N 3.42Å; I66-K68 PolarHBondContact O-N 2.67Å; I66-R69 PolarHBondContact O-N 2.83Å; I66-L70 HydrophobicContact CG2-CD1 3.71Å; I66-L70 HydrophobicContact CG2-CG 4.33Å; I66-L70 WeakPolarHBondContact O-CB 3.5Å; I66-L70 WeakPolarHBondContact O-CG 3.41Å; I66-L70 PolarHBondContact O-N 3.12Å
67	Q	73	Confident	65.7	Low	133 Å²	133	81.3 Å²	81.3	62%	0.621	36%	0.36	S	S	*	.	H	α-helix	trans	-62.8	-40.9	177.7	-74.4	179.4	-20.6	0	0	111.8	Q63 Y64 L70 K71	Q63-Q67 WeakPolarHBondContact O-CG 3.41Å; Q63-Q67 PolarHBondContact O-N 3.22Å; Y64-Q67 PolarHBondContact O-N 3.22Å; Q67-L70 PolarHBondContact O-N 3.27Å; Q67-K71 VanDerWaalsContact O-CB 3.29Å; Q67-K71 WeakPolarHBondContact O-CB 3.08Å; Q67-K71 PolarHBondContact O-N 3.36Å
68	K	71.8	Confident	66.3	Low	45 Å²	45	79.9 Å²	79.9	20%	0.196	36%	0.358	C	S	.	.	H	α-helix	trans	-58.2	-47.8	173.6	-172.5	-166.5	172.9	-158.7	0	111	Y64 E65 I66 K71 I72 N109	Y64-K68 WeakPolarHBondContact O-CB 3.21Å; Y64-K68 PolarHBondContact O-N 2.94Å; E65-K68 WeakPolarHBondContact OE2-CD 3.46Å; I66-K68 PolarHBondContact O-N 2.67Å; K68-K71 PolarHBondContact O-N 2.79Å; K68-I72 HydrophobicContact CG-CD1 4.06Å; K68-I72 VanDerWaalsContact O-CG1 3.29Å; K68-I72 WeakPolarHBondContact O-CG1 3.28Å; K68-I72 PolarHBondContact O-N 2.94Å; K68-N109 PolarHBondContact NZ-OD1 2.85Å
69	R	69.3	Low	66.4	Low	113 Å²	113	74.9 Å²	74.9	43%	0.426	34%	0.343	S	S	.	.	H	α-helix	trans	-67.3	-42	179	-73.2	174.6	-172.3	-129.5	-8.4	113	L34 E65 I66 K71 I72 E73	L34-R69 HydrophobicContact CD1-CB 3.98Å; E65-R69 WeakPolarHBondContact O-CB 3.32Å; E65-R69 VanDerWaalsContact O-CG 3.26Å; E65-R69 WeakPolarHBondContact O-CG 3.41Å; E65-R69 PolarHBondContact O-N 3.4Å; E65-R69 IonicContact OE1-CZ 3.66Å; E65-R69 IonicContact OE1-NE 2.56Å; E65-R69 PolarHBondContact OE1-NE 3.4Å; E65-R69 IonicContact OE1-NH2 3.94Å; E65-R69 PolarHBondContact OE1-NH2 2.76Å; I66-R69 PolarHBondContact O-N 2.83Å; R69-K71 VanDerWaalsContact C-N 3.35Å; R69-I72 PolarHBondContact O-N 3.48Å; R69-E73 PolarHBondContact O-N 2.78Å
70	L	73	Confident	66.1	Low	25 Å²	25	74.4 Å²	74.4	13%	0.131	35%	0.347	C	S	.	.	H	α-helix	trans	-61.8	-43.7	174.8	-72.3	168.7	0	0	0	111	N27 L30 R31 I66 Q67 I72 E73 E74	N27-L70 HydrophobicContact CB-CD2 4.14Å; L30-L70 HydrophobicContact CB-CD2 4.49Å; L30-L70 HydrophobicContact CD2-CD2 3.8Å; L30-L70 HydrophobicContact CD2-CG 4.47Å; R31-L70 HydrophobicContact CB-CD1 4.48Å; R31-L70 HydrophobicContact CB-CD2 4.25Å; I66-L70 HydrophobicContact CG2-CD1 3.71Å; I66-L70 HydrophobicContact CG2-CG 4.33Å; I66-L70 WeakPolarHBondContact O-CB 3.5Å; I66-L70 WeakPolarHBondContact O-CG 3.41Å; I66-L70 PolarHBondContact O-N 3.12Å; Q67-L70 PolarHBondContact O-N 3.27Å; L70-I72 PolarHBondContact O-N 3.24Å; L70-E73 PolarHBondContact O-N 2.9Å; L70-E74 WeakPolarHBondContact O-CG 3.46Å; L70-E74 PolarHBondContact O-N 2.94Å
71	K	72.9	Confident	66.3	Low	102 Å²	102	73.9 Å²	73.9	44%	0.443	34%	0.344	S	S	.	.	H	α-helix	trans	-63	-40.4	175.8	-173	171.9	-179.6	-68.2	0	112.6	Q67 K68 R69 E74 E75	Q67-K71 VanDerWaalsContact O-CB 3.29Å; Q67-K71 WeakPolarHBondContact O-CB 3.08Å; Q67-K71 PolarHBondContact O-N 3.36Å; K68-K71 PolarHBondContact O-N 2.79Å; R69-K71 VanDerWaalsContact C-N 3.35Å; K71-E74 PolarHBondContact O-N 2.79Å; K71-E75 IonicContact NZ-OE1 2.81Å; K71-E75 PolarHBondContact NZ-OE1 2.9Å; K71-E75 IonicContact NZ-OE2 3.17Å; K71-E75 WeakPolarHBondContact O-CB 3.23Å; K71-E75 WeakPolarHBondContact O-CG 3.39Å; K71-E75 PolarHBondContact O-N 2.94Å
72	I	67.1	Low	66.3	Low	41 Å²	41	74.3 Å²	74.3	21%	0.21	35%	0.346	C	S	.	.	H	α-helix	trans	-63.7	-39.8	174.2	-72.1	165.1	0	0	0	111.3	K68 R69 L70 E75 K76	K68-I72 HydrophobicContact CG-CD1 4.06Å; K68-I72 VanDerWaalsContact O-CG1 3.29Å; K68-I72 WeakPolarHBondContact O-CG1 3.28Å; K68-I72 PolarHBondContact O-N 2.94Å; R69-I72 PolarHBondContact O-N 3.48Å; L70-I72 PolarHBondContact O-N 3.24Å; I72-E75 PolarHBondContact O-N 3.43Å; I72-K76 HydrophobicContact CG2-CD 4.44Å; I72-K76 WeakPolarHBondContact O-CB 3.48Å; I72-K76 VanDerWaalsContact O-CG 3.31Å; I72-K76 WeakPolarHBondContact O-CG 3.34Å; I72-K76 PolarHBondContact O-N 3.46Å
73	E	65.6	Low	65.9	Low	31 Å²	31	77.3 Å²	77.3	15%	0.145	36%	0.362	C	S	.	.	H	α-helix	trans	-73	-29.2	175.3	-68	-60.3	139.9	0	0	112.8	L30 R69 L70 K76 K77	L30-E73 HydrophobicContact CD1-CG 4.1Å; L30-E73 HydrophobicContact CD2-CB 4.32Å; L30-E73 HydrophobicContact CD2-CG 3.76Å; R69-E73 PolarHBondContact O-N 2.78Å; L70-E73 PolarHBondContact O-N 2.9Å; E73-K76 WeakPolarHBondContact OE1-CD 3.15Å; E73-K76 IonicContact OE1-NZ 2.68Å; E73-K76 PolarHBondContact OE1-NZ 3.16Å; E73-K77 VanDerWaalsContact O-CB 3.32Å; E73-K77 WeakPolarHBondContact O-CB 3.34Å; E73-K77 WeakPolarHBondContact O-CG 3.41Å; E73-K77 PolarHBondContact O-N 2.88Å
74	E	69.6	Low	65.4	Low	94 Å²	94	76.5 Å²	76.5	44%	0.439	36%	0.361	S	S	.	.	H	α-helix	trans	-68.1	-40.4	169	-75.5	173.1	-175.5	0	0	112	N27 L70 K71 K77 K78	N27-E74 WeakPolarHBondContact ND2-CG 3.15Å; N27-E74 PolarHBondContact ND2-OE1 2.8Å; L70-E74 WeakPolarHBondContact O-CG 3.46Å; L70-E74 PolarHBondContact O-N 2.94Å; K71-E74 PolarHBondContact O-N 2.79Å; E74-K77 PolarHBondContact O-N 3.33Å; E74-K78 WeakPolarHBondContact O-CB 3.28Å; E74-K78 WeakPolarHBondContact O-CG 3.46Å; E74-K78 PolarHBondContact O-N 3.18Å
75	E	65.6	Low	65.1	Low	86 Å²	86	75.8 Å²	75.8	40%	0.402	36%	0.363	S	S	.	.	H	α-helix	trans	-67.3	-42.5	175.2	-75.2	168.3	164.8	0	0	111.3	K71 I72 K77 K78 L79	K71-E75 IonicContact NZ-OE1 2.81Å; K71-E75 PolarHBondContact NZ-OE1 2.9Å; K71-E75 IonicContact NZ-OE2 3.17Å; K71-E75 WeakPolarHBondContact O-CB 3.23Å; K71-E75 WeakPolarHBondContact O-CG 3.39Å; K71-E75 PolarHBondContact O-N 2.94Å; I72-E75 PolarHBondContact O-N 3.43Å; E75-K77 PolarHBondContact O-N 2.81Å; E75-K78 PolarHBondContact O-N 2.96Å; E75-L79 WeakPolarHBondContact O-CB 3.29Å; E75-L79 WeakPolarHBondContact O-CG 3.13Å; E75-L79 PolarHBondContact O-N 3Å
76	K	61	Low	64.5	Low	79 Å²	79	75.7 Å²	75.7	34%	0.343	36%	0.364	S	S	.	.	H	α-helix	trans	-60	-42.1	169.5	-75.1	174.1	-176.6	177.5	0	112.6	I72 E73 L79 A80 I108	I72-K76 HydrophobicContact CG2-CD 4.44Å; I72-K76 WeakPolarHBondContact O-CB 3.48Å; I72-K76 VanDerWaalsContact O-CG 3.31Å; I72-K76 WeakPolarHBondContact O-CG 3.34Å; I72-K76 PolarHBondContact O-N 3.46Å; E73-K76 WeakPolarHBondContact OE1-CD 3.15Å; E73-K76 IonicContact OE1-NZ 2.68Å; E73-K76 PolarHBondContact OE1-NZ 3.16Å; K76-L79 PolarHBondContact O-N 2.86Å; K76-A80 VanDerWaalsContact O-CB 3.23Å; K76-A80 WeakPolarHBondContact O-CB 3.3Å; K76-A80 PolarHBondContact O-N 2.79Å; K76-I108 HydrophobicContact CG-CD1 4.49Å
77	K	64.9	Low	63.6	Low	63 Å²	63	80.4 Å²	80.4	27%	0.274	39%	0.388	S	S	.	.	H	α-helix	trans	-66.6	-40.6	177.8	-77.9	171.7	-176.6	-178.2	0	111.4	I24 S26 N27 E73 E74 E75 A80 I81	I24-K77 PolarHBondContact O-NZ 3.37Å; S26-K77 PolarHBondContact O-NZ 3.01Å; S26-K77 VanDerWaalsContact O-NZ 3.09Å; N27-K77 PolarHBondContact OD1-NZ 2.83Å; E73-K77 VanDerWaalsContact O-CB 3.32Å; E73-K77 WeakPolarHBondContact O-CB 3.34Å; E73-K77 WeakPolarHBondContact O-CG 3.41Å; E73-K77 PolarHBondContact O-N 2.88Å; E74-K77 PolarHBondContact O-N 3.33Å; E75-K77 PolarHBondContact O-N 2.81Å; K77-A80 PolarHBondContact O-N 3.22Å; K77-I81 WeakPolarHBondContact O-CB 3.4Å; K77-I81 WeakPolarHBondContact O-CD1 3.45Å; K77-I81 WeakPolarHBondContact O-CG1 3.39Å; K77-I81 PolarHBondContact O-N 3.17Å
78	K	67.3	Low	62.5	Low	142 Å²	142	80 Å²	80	62%	0.617	39%	0.39	S	S	*	.	H	α-helix	trans	-61.9	-46.6	172.5	-76.6	-177.9	176.3	-173.3	0	112.1	E74 E75 I81 Q82	E74-K78 WeakPolarHBondContact O-CB 3.28Å; E74-K78 WeakPolarHBondContact O-CG 3.46Å; E74-K78 PolarHBondContact O-N 3.18Å; E75-K78 PolarHBondContact O-N 2.96Å; K78-I81 PolarHBondContact O-N 2.92Å; K78-Q82 WeakPolarHBondContact O-CB 3.24Å; K78-Q82 VanDerWaalsContact O-CG 3.31Å; K78-Q82 WeakPolarHBondContact O-CG 2.88Å; K78-Q82 PolarHBondContact O-N 2.95Å
79	L	58.8	Low	61.7	Low	50 Å²	50	83.6 Å²	83.6	26%	0.262	41%	0.411	S	S	.	.	H	α-helix	trans	-64.3	-40.5	176.7	-75.4	163.5	0	0	0	112.2	E75 K76 I81 Q82 M83 I105	E75-L79 WeakPolarHBondContact O-CB 3.29Å; E75-L79 WeakPolarHBondContact O-CG 3.13Å; E75-L79 PolarHBondContact O-N 3Å; K76-L79 PolarHBondContact O-N 2.86Å; L79-I81 VanDerWaalsContact C-N 3.35Å; L79-Q82 PolarHBondContact O-N 3.39Å; L79-M83 WeakPolarHBondContact O-CB 3.37Å; L79-M83 PolarHBondContact O-N 3.03Å; L79-I105 HydrophobicContact CD1-CD1 3.89Å; L79-I105 HydrophobicContact CD1-CG1 3.92Å; L79-I105 HydrophobicContact CD2-CD1 4.37Å
80	A	56	Low	60.2	Low	50 Å²	50	80.8 Å²	80.8	41%	0.413	42%	0.417	S	S	.	.	H	α-helix	trans	-66.7	-35.5	175.7	0	0	0	0	0	112.4	K76 K77 N84	K76-A80 VanDerWaalsContact O-CB 3.23Å; K76-A80 WeakPolarHBondContact O-CB 3.3Å; K76-A80 PolarHBondContact O-N 2.79Å; K77-A80 PolarHBondContact O-N 3.22Å; A80-N84 WeakPolarHBondContact O-CB 3.19Å; A80-N84 PolarHBondContact O-N 2.84Å
81	I	66.3	Low	58.8	Low	97 Å²	97	83.3 Å²	83.3	50%	0.497	43%	0.43	S	S	.	.	H	α-helix	trans	-65.8	-56	171.5	-72.2	163.8	0	0	0	109.6	K77 K78 L79 M83 N84 D85	K77-I81 WeakPolarHBondContact O-CB 3.4Å; K77-I81 WeakPolarHBondContact O-CD1 3.45Å; K77-I81 WeakPolarHBondContact O-CG1 3.39Å; K77-I81 PolarHBondContact O-N 3.17Å; K78-I81 PolarHBondContact O-N 2.92Å; L79-I81 VanDerWaalsContact C-N 3.35Å; I81-M83 PolarHBondContact O-N 3.4Å; I81-N84 CarbonylContact O-C 3.57Å; I81-N84 WeakPolarHBondContact O-CA 3.35Å; I81-N84 WeakPolarHBondContact O-CB 3.16Å; I81-N84 PolarHBondContact O-N 3.49Å; I81-D85 VanDerWaalsContact CG2-OD2 3.23Å; I81-D85 WeakPolarHBondContact CG2-OD2 3.29Å; I81-D85 WeakPolarHBondContact O-CB 3.41Å; I81-D85 PolarHBondContact O-N 2.83Å
82	Q	60.6	Low	57.3	Low	101 Å²	101	84.6 Å²	84.6	47%	0.472	45%	0.447	S	S	.	.	H	α-helix	trans	-55	-38.2	177.9	-71.9	173.8	-53.5	0	0	113	K78 L79 D85 L86	K78-Q82 WeakPolarHBondContact O-CB 3.24Å; K78-Q82 VanDerWaalsContact O-CG 3.31Å; K78-Q82 WeakPolarHBondContact O-CG 2.88Å; K78-Q82 PolarHBondContact O-N 2.95Å; L79-Q82 PolarHBondContact O-N 3.39Å; Q82-D85 PolarHBondContact O-N 2.96Å; Q82-L86 WeakPolarHBondContact O-CB 3.29Å; Q82-L86 VanDerWaalsContact O-CG 3.26Å; Q82-L86 WeakPolarHBondContact O-CG 3.49Å; Q82-L86 PolarHBondContact O-N 3.1Å
83	M	50.5	Low	55.8	Low	104 Å²	104	89.3 Å²	89.3	51%	0.512	47%	0.472	S	S	.	.	H	α-helix	trans	-72.3	-38.5	177.6	-174.7	169.1	166.9	0	0	112	L79 I81 I87	L79-M83 WeakPolarHBondContact O-CB 3.37Å; L79-M83 PolarHBondContact O-N 3.03Å; I81-M83 PolarHBondContact O-N 3.4Å; M83-I87 HydrophobicContact CG-CD1 4.24Å; M83-I87 WeakPolarHBondContact O-CB 3.38Å; M83-I87 WeakPolarHBondContact O-CD1 3.34Å; M83-I87 WeakPolarHBondContact O-CG1 3.32Å; M83-I87 PolarHBondContact O-N 3.27Å; M83-I87 VanDerWaalsContact O-N 3.1Å
84	N	57.2	Low	54.6	Low	98 Å²	98	90.7 Å²	90.7	52%	0.524	48%	0.483	S	S	.	.	H	α-helix	trans	-63.7	-44	168.6	-106.5	12	0	0	0	111.5	A80 I81 L86 I87 N88	A80-N84 WeakPolarHBondContact O-CB 3.19Å; A80-N84 PolarHBondContact O-N 2.84Å; I81-N84 CarbonylContact O-C 3.57Å; I81-N84 WeakPolarHBondContact O-CA 3.35Å; I81-N84 WeakPolarHBondContact O-CB 3.16Å; I81-N84 PolarHBondContact O-N 3.49Å; N84-L86 VanDerWaalsContact C-N 3.35Å; N84-L86 PolarHBondContact O-N 2.94Å; N84-I87 PolarHBondContact O-N 3.07Å; N84-N88 VanDerWaalsContact O-CB 3.29Å; N84-N88 WeakPolarHBondContact O-CB 3.4Å; N84-N88 PolarHBondContact O-N 2.61Å; N84-N88 PolarHBondContact O-ND2 3.32Å; N84-N88 VanDerWaalsContact O-ND2 3.11Å
85	D	62.4	Low	53.3	Low	76 Å²	76	90.6 Å²	90.6	41%	0.406	49%	0.489	S	S	.	.	H	α-helix	trans	-63.2	-42.6	-177.5	-63.1	-22.4	0	0	0	110.4	I81 Q82 N88 L89	I81-D85 VanDerWaalsContact CG2-OD2 3.23Å; I81-D85 WeakPolarHBondContact CG2-OD2 3.29Å; I81-D85 WeakPolarHBondContact O-CB 3.41Å; I81-D85 PolarHBondContact O-N 2.83Å; Q82-D85 PolarHBondContact O-N 2.96Å; D85-N88 PolarHBondContact O-N 3.45Å; D85-L89 VanDerWaalsContact O-CB 3.26Å; D85-L89 WeakPolarHBondContact O-CB 3.48Å; D85-L89 WeakPolarHBondContact O-CD1 3.45Å; D85-L89 WeakPolarHBondContact O-CG 3.29Å; D85-L89 PolarHBondContact O-N 2.84Å
86	L	52.3	Low	51.9	Low	47 Å²	47	88.9 Å²	88.9	25%	0.246	48%	0.481	C	S	.	.	H	α-helix	trans	-69.6	-33.9	175.9	-70.2	168.3	0	0	0	113.3	Q82 N84 I91 T94 F98	Q82-L86 WeakPolarHBondContact O-CB 3.29Å; Q82-L86 VanDerWaalsContact O-CG 3.26Å; Q82-L86 WeakPolarHBondContact O-CG 3.49Å; Q82-L86 PolarHBondContact O-N 3.1Å; N84-L86 VanDerWaalsContact C-N 3.35Å; N84-L86 PolarHBondContact O-N 2.94Å; L86-I91 HydrophobicContact CD2-CD1 4.06Å; L86-T94 HydrophobicContact CD2-CG2 4.03Å; L86-F98 HydrophobicContact CD1-CD1 4.21Å; L86-F98 HydrophobicContact CD1-CD2 3.77Å; L86-F98 HydrophobicContact CD1-CE1 3.81Å; L86-F98 HydrophobicContact CD1-CE2 3.33Å; L86-F98 HydrophobicContact CD1-CG 4.21Å; L86-F98 HydrophobicContact CD1-CZ 3.37Å
87	I	50.1	Low	51	Low	112 Å²	112	88.7 Å²	88.7	57%	0.574	49%	0.489	S	S	*	.	H	α-helix	trans	-66	-43	170.6	-71.7	165.8	0	0	0	110.7	M83 N84 G90	M83-I87 HydrophobicContact CG-CD1 4.24Å; M83-I87 WeakPolarHBondContact O-CB 3.38Å; M83-I87 WeakPolarHBondContact O-CD1 3.34Å; M83-I87 WeakPolarHBondContact O-CG1 3.32Å; M83-I87 PolarHBondContact O-N 3.27Å; M83-I87 VanDerWaalsContact O-N 3.1Å; N84-I87 PolarHBondContact O-N 3.07Å; I87-G90 PolarHBondContact O-N 3.39Å
88	N	51.1	Low	49.8	Very low	124 Å²	124	88 Å²	88	66%	0.663	49%	0.486	S	S	*	.	H	α-helix	trans	-73.6	-29.3	-179	-69.3	-28.8	0	0	0	113.2	N84 D85 G90	N84-N88 VanDerWaalsContact O-CB 3.29Å; N84-N88 WeakPolarHBondContact O-CB 3.4Å; N84-N88 PolarHBondContact O-N 2.61Å; N84-N88 PolarHBondContact O-ND2 3.32Å; N84-N88 VanDerWaalsContact O-ND2 3.11Å; D85-N88 PolarHBondContact O-N 3.45Å; N88-G90 PolarHBondContact O-N 2.8Å
89	L	54.9	Low	48.7	Very low	121 Å²	121	84 Å²	84	63%	0.634	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.9	-1.1	175.5	-72.5	167.1	0	0	0	113.1	D85 I91	D85-L89 VanDerWaalsContact O-CB 3.26Å; D85-L89 WeakPolarHBondContact O-CB 3.48Å; D85-L89 WeakPolarHBondContact O-CD1 3.45Å; D85-L89 WeakPolarHBondContact O-CG 3.29Å; D85-L89 PolarHBondContact O-N 2.84Å; L89-I91 HydrophobicContact CB-CD1 3.93Å; L89-I91 HydrophobicContact CB-CG1 3.74Å; L89-I91 HydrophobicContact CD1-CD1 4.34Å; L89-I91 WeakPolarHBondContact O-CG1 3.41Å; L89-I91 PolarHBondContact O-N 2.83Å
90	G	37	Very low	48	Very low	53 Å²	53	83.7 Å²	83.7	55%	0.546	47%	0.474	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.1	18.5	175.1	0	0	0	0	0	114.8	I87 N88 T92	I87-G90 PolarHBondContact O-N 3.39Å; N88-G90 PolarHBondContact O-N 2.8Å; G90-T92 PolarHBondContact O-N 2.77Å
91	I	44	Very low	47.2	Very low	78 Å²	78	83.9 Å²	83.9	40%	0.4	47%	0.472	S	S	.	.			trans	-80.8	83.1	-171.8	-46.1	-176.2	0	0	0	109.7	L86 L89 N93 T94	L86-I91 HydrophobicContact CD2-CD1 4.06Å; L89-I91 HydrophobicContact CB-CD1 3.93Å; L89-I91 HydrophobicContact CB-CG1 3.74Å; L89-I91 HydrophobicContact CD1-CD1 4.34Å; L89-I91 WeakPolarHBondContact O-CG1 3.41Å; L89-I91 PolarHBondContact O-N 2.83Å; I91-N93 PolarHBondContact O-N 3.42Å; I91-T94 HydrophobicContact CB-CG2 4.07Å; I91-T94 HydrophobicContact CG2-CG2 3.78Å
92	T	40.3	Very low	45.8	Very low	130 Å²	130	82.6 Å²	82.6	80%	0.798	47%	0.465	S	S	*	.	S	Bend	trans	-65	-20	174.3	51.2	0	0	0	0	113.2	G90	G90-T92 PolarHBondContact O-N 2.77Å
93	N	37.3	Very low	45	Very low	140 Å²	140	79.8 Å²	79.8	75%	0.749	45%	0.454	S	S	*	.			trans	-106.6	70.4	179.5	-65.7	-14	0	0	0	111.4	I91	I91-N93 PolarHBondContact O-N 3.42Å
94	T	40.5	Very low	44.4	Very low	59 Å²	59	79 Å²	79	36%	0.362	45%	0.451	S	S	.	.			trans	-96.4	130.8	173.5	47.5	0	0	0	0	112.4	L86 I91	L86-T94 HydrophobicContact CD2-CG2 4.03Å; I91-T94 HydrophobicContact CB-CG2 4.07Å; I91-T94 HydrophobicContact CG2-CG2 3.78Å
95	T	41.3	Very low	43.4	Very low	93 Å²	93	77.4 Å²	77.4	57%	0.571	44%	0.442	S	S	*	.			trans	-75.2	166.8	-167.2	50.3	0	0	0	0	114.7	S97 F98	T95-S97 PolarHBondContact O-N 3.23Å; T95-S97 PolarHBondContact OG1-OG 3.28Å; T95-F98 WeakPolarHBondContact O-CB 3.24Å; T95-F98 PolarHBondContact O-N 2.9Å
96	E	36.9	Very low	42.1	Very low	50 Å²	50	79.5 Å²	79.5	23%	0.234	46%	0.458	C	S	.	.	H	α-helix	trans	-57.4	-21.7	-176.6	-63.2	-168.3	-95.3	0	0	114.1	F98 I99 S100 L232 S233 N234 N235	E96-F98 VanDerWaalsContact C-N 3.27Å; E96-F98 PolarHBondContact O-N 3.02Å; E96-I99 PolarHBondContact O-N 2.81Å; E96-I99 VanDerWaalsContact O-N 3.15Å; E96-S100 PolarHBondContact O-N 2.92Å; E96-L232 VanDerWaalsContact OE1-O 3.09Å; E96-S233 WeakPolarHBondContact CB-O 3.45Å; E96-N234 PolarHBondContact OE1-N 3.42Å; E96-N234 VanDerWaalsContact OE2-C 3.23Å; E96-N234 WeakPolarHBondContact OE2-CA 3.21Å; E96-N234 PolarHBondContact OE2-N 3Å; E96-N235 PolarHBondContact OE2-N 3.45Å
97	S	42	Very low	41.2	Very low	75 Å²	75	81.4 Å²	81.4	52%	0.524	46%	0.464	S	S	.	.	H	α-helix	trans	-64.5	-27.6	171.1	66.7	0	0	0	0	113.5	T95 S100 S101	T95-S97 PolarHBondContact O-N 3.23Å; T95-S97 PolarHBondContact OG1-OG 3.28Å; S97-S100 WeakPolarHBondContact O-CB 3.47Å; S97-S101 PolarHBondContact O-N 2.93Å; S97-S101 VanDerWaalsContact O-N 3.15Å; S97-S101 PolarHBondContact O-OG 2.88Å
98	F	40	Very low	40.4	Very low	47 Å²	47	79.2 Å²	79.2	21%	0.206	45%	0.453	C	S	.	.	H	α-helix	trans	-76.1	-35	172.1	-167.6	-116.9	0	0	0	111.5	L86 T95 E96 S100 S101 L102	L86-F98 HydrophobicContact CD1-CD1 4.21Å; L86-F98 HydrophobicContact CD1-CD2 3.77Å; L86-F98 HydrophobicContact CD1-CE1 3.81Å; L86-F98 HydrophobicContact CD1-CE2 3.33Å; L86-F98 HydrophobicContact CD1-CG 4.21Å; L86-F98 HydrophobicContact CD1-CZ 3.37Å; T95-F98 WeakPolarHBondContact O-CB 3.24Å; T95-F98 PolarHBondContact O-N 2.9Å; E96-F98 VanDerWaalsContact C-N 3.27Å; E96-F98 PolarHBondContact O-N 3.02Å; F98-S100 VanDerWaalsContact C-N 3.35Å; F98-S101 WeakPolarHBondContact O-CA 3.33Å; F98-S101 VanDerWaalsContact O-CB 3.3Å; F98-S101 WeakPolarHBondContact O-CB 3.47Å; F98-S101 PolarHBondContact O-N 2.92Å; F98-L102 HydrophobicContact CD1-CD1 3.8Å; F98-L102 HydrophobicContact CE1-CD1 3.6Å; F98-L102 HydrophobicContact CE1-CG 4.43Å; F98-L102 HydrophobicContact CZ-CD1 4.25Å; F98-L102 PolarHBondContact O-N 2.85Å
99	I	44.2	Very low	39.3	Very low	58 Å²	58	77.2 Å²	77.2	30%	0.297	44%	0.442	S	S	.	.	H	α-helix	trans	-66.4	-39	171.4	-47.7	177.8	0	0	0	110.3	E96 S101 L102 N103 N235 T237	E96-I99 PolarHBondContact O-N 2.81Å; E96-I99 VanDerWaalsContact O-N 3.15Å; I99-S101 PolarHBondContact O-N 3.22Å; I99-L102 PolarHBondContact O-N 3.23Å; I99-N103 WeakPolarHBondContact O-CB 3.45Å; I99-N103 PolarHBondContact O-N 2.82Å; I99-N235 HydrophobicContact CB-CB 4.14Å; I99-N235 HydrophobicContact CG2-CB 4.29Å; I99-N235 WeakPolarHBondContact CG2-O 3.25Å; I99-T237 HydrophobicContact CG2-CG2 4.44Å
100	S	43.2	Very low	37.9	Very low	45 Å²	45	76.6 Å²	76.6	32%	0.315	45%	0.447	S	S	.	.	H	α-helix	trans	-59.1	-27.4	169	-169.8	0	0	0	0	113.3	E96 S97 F98 N104 N235	E96-S100 PolarHBondContact O-N 2.92Å; S97-S100 WeakPolarHBondContact O-CB 3.47Å; F98-S100 VanDerWaalsContact C-N 3.35Å; S100-N104 PolarHBondContact O-ND2 3.2Å; S100-N235 WeakPolarHBondContact CB-ND2 3.2Å
101	S	38.7	Very low	37.4	Very low	54 Å²	54	77.5 Å²	77.5	38%	0.378	44%	0.438	S	S	.	.	H	α-helix	trans	-79.7	-42.6	176.2	-58.6	0	0	0	0	111.4	S97 F98 I99 N104	S97-S101 PolarHBondContact O-N 2.93Å; S97-S101 VanDerWaalsContact O-N 3.15Å; S97-S101 PolarHBondContact O-OG 2.88Å; F98-S101 WeakPolarHBondContact O-CA 3.33Å; F98-S101 VanDerWaalsContact O-CB 3.3Å; F98-S101 WeakPolarHBondContact O-CB 3.47Å; F98-S101 PolarHBondContact O-N 2.92Å; I99-S101 PolarHBondContact O-N 3.22Å; S101-N104 PolarHBondContact O-N 3.24Å
102	L	38.5	Very low	36.5	Very low	69 Å²	69	81.4 Å²	81.4	36%	0.361	46%	0.46	S	S	.	.	H	α-helix	trans	-63.6	-36	172.2	-84.1	151.4	0	0	0	112.9	F98 I99 N104 I105	F98-L102 HydrophobicContact CD1-CD1 3.8Å; F98-L102 HydrophobicContact CE1-CD1 3.6Å; F98-L102 HydrophobicContact CE1-CG 4.43Å; F98-L102 HydrophobicContact CZ-CD1 4.25Å; F98-L102 PolarHBondContact O-N 2.85Å; I99-L102 PolarHBondContact O-N 3.23Å; L102-N104 PolarHBondContact O-N 3.46Å; L102-I105 HydrophobicContact CD2-CD1 4.01Å; L102-I105 VanDerWaalsContact O-CB 3.27Å; L102-I105 WeakPolarHBondContact O-CB 3.25Å; L102-I105 WeakPolarHBondContact O-CG1 3.46Å; L102-I105 PolarHBondContact O-N 3.02Å
103	N	41.8	Very low	35.8	Very low	43 Å²	43	79.3 Å²	79.3	23%	0.23	44%	0.444	C	S	.	.	G	3₁₀ helix	trans	-62	-24.8	176.1	-80	-21.9	0	0	0	112.8	I99 I105 T106 N235 T237	I99-N103 WeakPolarHBondContact O-CB 3.45Å; I99-N103 PolarHBondContact O-N 2.82Å; N103-I105 VanDerWaalsContact C-N 3.26Å; N103-I105 PolarHBondContact O-N 3.3Å; N103-T106 PolarHBondContact O-N 2.98Å; N103-T106 PolarHBondContact O-OG1 2.93Å; N103-N235 PolarHBondContact ND2-OD1 3.33Å; N103-T237 WeakPolarHBondContact OD1-CG2 3.41Å
104	N	39	Very low	35.5	Very low	86 Å²	86	79 Å²	79	46%	0.46	43%	0.432	S	S	.	.	G	3₁₀ helix	trans	-74.1	-9.6	171.4	-76.5	-71.5	0	0	0	113.8	S100 S101 L102 K107	S100-N104 PolarHBondContact O-ND2 3.2Å; S101-N104 PolarHBondContact O-N 3.24Å; L102-N104 PolarHBondContact O-N 3.46Å; N104-K107 HydrophobicContact CB-CD 4.4Å; N104-K107 WeakPolarHBondContact O-CB 3.47Å; N104-K107 WeakPolarHBondContact O-CG 3.3Å; N104-K107 PolarHBondContact O-N 2.56Å; N104-K107 WeakPolarHBondContact OD1-CD 3.2Å; N104-K107 WeakPolarHBondContact OD1-CE 3.18Å
105	I	35.5	Very low	35	Very low	66 Å²	66	78.1 Å²	78.1	34%	0.338	42%	0.424	S	S	.	.	G	3₁₀ helix	trans	-77	-23.8	174.8	-54.9	-172.6	0	0	0	111.6	L79 L102 N103 K107 I108	L79-I105 HydrophobicContact CD1-CD1 3.89Å; L79-I105 HydrophobicContact CD1-CG1 3.92Å; L79-I105 HydrophobicContact CD2-CD1 4.37Å; L102-I105 HydrophobicContact CD2-CD1 4.01Å; L102-I105 VanDerWaalsContact O-CB 3.27Å; L102-I105 WeakPolarHBondContact O-CB 3.25Å; L102-I105 WeakPolarHBondContact O-CG1 3.46Å; L102-I105 PolarHBondContact O-N 3.02Å; N103-I105 VanDerWaalsContact C-N 3.26Å; N103-I105 PolarHBondContact O-N 3.3Å; I105-K107 PolarHBondContact O-N 2.68Å; I105-I108 HydrophobicContact CG2-CD1 3.9Å; I105-I108 WeakPolarHBondContact O-CG1 3.43Å; I105-I108 PolarHBondContact O-N 3.23Å
106	T	36.3	Very low	34.8	Very low	119 Å²	119	75.3 Å²	75.3	73%	0.73	41%	0.405	S	S	*	.	G	3₁₀ helix	trans	-60.8	-13.2	171	67.6	0	0	0	0	113.3	N103 I108	N103-T106 PolarHBondContact O-N 2.98Å; N103-T106 PolarHBondContact O-OG1 2.93Å; T106-I108 VanDerWaalsContact C-N 3.3Å; T106-I108 PolarHBondContact O-N 3.44Å
107	K	33.7	Very low	34.4	Very low	87 Å²	87	76.5 Å²	76.5	38%	0.378	42%	0.417	S	S	.	.	G	3₁₀ helix	trans	-80.9	0	-178.5	-59	-168.9	162.1	-158.1	0	114.5	N104 I105 N109 T387 E390	N104-K107 HydrophobicContact CB-CD 4.4Å; N104-K107 WeakPolarHBondContact O-CB 3.47Å; N104-K107 WeakPolarHBondContact O-CG 3.3Å; N104-K107 PolarHBondContact O-N 2.56Å; N104-K107 WeakPolarHBondContact OD1-CD 3.2Å; N104-K107 WeakPolarHBondContact OD1-CE 3.18Å; I105-K107 PolarHBondContact O-N 2.68Å; K107-N109 PolarHBondContact O-N 2.85Å; K107-N109 VanDerWaalsContact O-N 3.13Å; K107-T387 HydrophobicContact CB-CG2 3.51Å; K107-T387 HydrophobicContact CD-CG2 3.37Å; K107-T387 HydrophobicContact CG-CG2 3.52Å; K107-E390 IonicContact NZ-OE1 3.36Å; K107-E390 PolarHBondContact NZ-OE1 2.92Å
108	I	32.3	Very low	34.1	Very low	67 Å²	67	76.7 Å²	76.7	34%	0.344	41%	0.41	S	S	.	.	S	Bend	trans	-80.7	93	-177.9	-60.6	176.7	0	0	0	111.4	K76 I105 T106 C110	K76-I108 HydrophobicContact CG-CD1 4.49Å; I105-I108 HydrophobicContact CG2-CD1 3.9Å; I105-I108 WeakPolarHBondContact O-CG1 3.43Å; I105-I108 PolarHBondContact O-N 3.23Å; T106-I108 VanDerWaalsContact C-N 3.3Å; T106-I108 PolarHBondContact O-N 3.44Å; I108-C110 PolarHBondContact O-N 3.29Å; I108-C110 VanDerWaalsContact O-N 3.14Å; I108-C110 PolarHBondContact O-SG 2.96Å
109	N	29	Very low	33.8	Very low	81 Å²	81	74.6 Å²	74.6	43%	0.433	40%	0.401	S	S	.	.			trans	17.8	78.4	158.9	-96.7	98.1	0	0	0	116.8	K68 K107 D388	K68-N109 PolarHBondContact NZ-OD1 2.85Å; K107-N109 PolarHBondContact O-N 2.85Å; K107-N109 VanDerWaalsContact O-N 3.13Å; N109-D388 PolarHBondContact ND2-OD2 3.11Å
110	C	24.7	Very low	33.4	Very low	109 Å²	109	77.8 Å²	77.8	74%	0.736	41%	0.41	S	S	*	.			trans	-119.5	18.2	171	-70.8	0	0	0	0	113.7	I108	I108-C110 PolarHBondContact O-N 3.29Å; I108-C110 VanDerWaalsContact O-N 3.14Å; I108-C110 PolarHBondContact O-SG 2.96Å
111	I	25.5	Very low	33.1	Very low	71 Å²	71	82.8 Å²	82.8	36%	0.364	42%	0.423	S	S	.	.			trans	-125.6	98	179.1	-59.7	90.7	0	0	0	110.3	D388	I111-D388 HydrophobicContact CB-CB 4.29Å
112	D	25.1	Very low	33.1	Very low	160 Å²	160	84.3 Å²	84.3	86%	0.856	42%	0.424	S	S	*	.			trans	-144	30.3	158.5	-156.7	13.8	0	0	0	110.7
113	L	27.2	Very low	33	Very low	86 Å²	86	85 Å²	85	45%	0.45	43%	0.428	S	S	.	.			trans	-133.9	128.3	178.8	-70	174.8	0	0	0	109	M115	L113-M115 HydrophobicContact CB-CG 4.12Å; L113-M115 HydrophobicContact CB-SD 4.06Å; L113-M115 HydrophobicContact CD1-SD 3.9Å; L113-M115 PolarHBondContact O-N 3.34Å; L113-M115 VanDerWaalsContact O-N 3.14Å
114	R	30.4	Very low	32.7	Very low	133 Å²	133	85.7 Å²	85.7	50%	0.502	43%	0.431	S	S	.	.			trans	-88.8	44.2	-178	-58.3	-171.1	-146.4	90.6	-1.1	112.1	Y614 L822	R114-Y614 PolarHBondContact NE-OH 3.49Å; R114-Y614 VanDerWaalsContact NH2-CE2 3.28Å; R114-L822 HydrophobicContact CB-CD1 3.83Å; R114-L822 PolarHBondContact NH1-O 3.43Å; R114-L822 WeakPolarHBondContact O-CD1 3.42Å
115	M	30	Very low	32.5	Very low	41 Å²	41	88.9 Å²	88.9	20%	0.202	44%	0.441	C	S	.	.			trans	-74.5	138.2	-179.1	-67.2	168.9	74	0	0	110	L113 S119 N123	L113-M115 HydrophobicContact CB-CG 4.12Å; L113-M115 HydrophobicContact CB-SD 4.06Å; L113-M115 HydrophobicContact CD1-SD 3.9Å; L113-M115 PolarHBondContact O-N 3.34Å; L113-M115 VanDerWaalsContact O-N 3.14Å; M115-S119 WeakPolarHBondContact CE-O 3.42Å; M115-N123 HydrophobicContact CE-CB 3.76Å; M115-N123 VanDerWaalsContact CE-CG 3.5Å; M115-N123 VanDerWaalsContact CE-ND2 3.3Å; M115-N123 WeakPolarHBondContact CE-ND2 3.41Å
116	H	36.2	Very low	32.5	Very low	34 Å²	34	92 Å²	92	16%	0.157	45%	0.449	C	S	.	.			trans	-58.6	149.7	168.2	-168.8	-88.7	0	0	0	110.4	E118 S119 Y120 I494	H116-E118 VanDerWaalsContact C-N 3.32Å; H116-E118 IonicContact CE1-OE2 3.15Å; H116-E118 PolarHBondContact CE1-OE2 3.14Å; H116-E118 VanDerWaalsContact CE1-OE2 3.26Å; H116-E118 PolarHBondContact ND1-N 3.45Å; H116-E118 VanDerWaalsContact ND1-N 3.18Å; H116-E118 IonicContact ND1-OE2 2.7Å; H116-E118 PolarHBondContact ND1-OE2 3.16Å; H116-E118 PolarHBondContact O-N 2.9Å; H116-S119 CarbonylContact O-C 3.53Å; H116-S119 WeakPolarHBondContact O-CA 3.46Å; H116-S119 WeakPolarHBondContact O-CB 3.27Å; H116-S119 PolarHBondContact O-N 2.98Å; H116-Y120 PolarHBondContact O-N 3.38Å; H116-I494 VanDerWaalsContact CE1-CG1 3.46Å; H116-I494 WeakPolarHBondContact CE1-CG1 3.31Å; H116-I494 WeakPolarHBondContact NE2-CG1 3.28Å
117	P	29.1	Very low	32.5	Very low	76 Å²	76	92.7 Å²	92.7	49%	0.494	44%	0.439	S	S	.	.	H	α-helix	trans	-47.9	-49.9	173.8	-31.8	37.4	0	0	0	113.3	S119 Y120 Y121	P117-S119 PolarHBondContact O-N 3.41Å; P117-Y120 CarbonylContact O-C 3.55Å; P117-Y120 PolarHBondContact O-N 3.43Å; P117-Y121 WeakPolarHBondContact O-CB 3.43Å; P117-Y121 PolarHBondContact O-N 2.81Å
118	E	35.7	Very low	32.5	Very low	79 Å²	79	94.9 Å²	94.9	37%	0.369	45%	0.449	S	S	.	.	H	α-helix	trans	-62.1	-36.6	171.5	-85.7	46.4	-117.7	0	0	114	H116 Y120 Y121 Q122	H116-E118 VanDerWaalsContact C-N 3.32Å; H116-E118 IonicContact CE1-OE2 3.15Å; H116-E118 PolarHBondContact CE1-OE2 3.14Å; H116-E118 VanDerWaalsContact CE1-OE2 3.26Å; H116-E118 PolarHBondContact ND1-N 3.45Å; H116-E118 VanDerWaalsContact ND1-N 3.18Å; H116-E118 IonicContact ND1-OE2 2.7Å; H116-E118 PolarHBondContact ND1-OE2 3.16Å; H116-E118 PolarHBondContact O-N 2.9Å; E118-Y120 VanDerWaalsContact C-N 3.29Å; E118-Y120 PolarHBondContact O-N 2.87Å; E118-Y121 PolarHBondContact O-N 3.42Å; E118-Q122 WeakPolarHBondContact O-CB 3.31Å; E118-Q122 WeakPolarHBondContact O-CG 3.34Å; E118-Q122 PolarHBondContact O-N 3.23Å
119	S	34	Very low	32.8	Very low	3 Å²	3	94.3 Å²	94.3	2%	0.021	45%	0.448	C	S	.	.	H	α-helix	trans	-63.6	-38.2	174	-64.8	0	0	0	0	110.9	M115 H116 P117 N123 D811	M115-S119 WeakPolarHBondContact CE-O 3.42Å; H116-S119 CarbonylContact O-C 3.53Å; H116-S119 WeakPolarHBondContact O-CA 3.46Å; H116-S119 WeakPolarHBondContact O-CB 3.27Å; H116-S119 PolarHBondContact O-N 2.98Å; P117-S119 PolarHBondContact O-N 3.41Å; S119-N123 VanDerWaalsContact O-CB 3.26Å; S119-N123 WeakPolarHBondContact O-CB 3.43Å; S119-N123 PolarHBondContact O-N 3.15Å; S119-N123 PolarHBondContact O-ND2 3.49Å; S119-D811 PolarHBondContact OG-OD1 3.2Å
120	Y	35.2	Very low	33	Very low	124 Å²	124	93.2 Å²	93.2	49%	0.486	45%	0.447	S	S	.	.	H	α-helix	trans	-72.9	-43.2	177	-179.7	-102.7	0	0	0	112	H116 P117 E118 N123 L124	H116-Y120 PolarHBondContact O-N 3.38Å; P117-Y120 CarbonylContact O-C 3.55Å; P117-Y120 PolarHBondContact O-N 3.43Å; E118-Y120 VanDerWaalsContact C-N 3.29Å; E118-Y120 PolarHBondContact O-N 2.87Å; Y120-N123 PolarHBondContact O-N 3.42Å; Y120-L124 HydrophobicContact CD1-CD1 3.92Å; Y120-L124 HydrophobicContact CE1-CD1 3.36Å; Y120-L124 HydrophobicContact CE1-CG 4.38Å; Y120-L124 HydrophobicContact CE2-CD1 4.41Å; Y120-L124 WeakPolarHBondContact O-CB 3.46Å; Y120-L124 PolarHBondContact O-N 3.49Å
121	Y	36.7	Very low	33.3	Very low	150 Å²	150	91.4 Å²	91.4	59%	0.588	43%	0.43	S	S	*	.	H	α-helix	trans	-69.1	-38.3	175.8	-103.4	-77.8	0	0	0	112.6	P117 E118 L124 K125	P117-Y121 WeakPolarHBondContact O-CB 3.43Å; P117-Y121 PolarHBondContact O-N 2.81Å; E118-Y121 PolarHBondContact O-N 3.42Å; Y121-L124 PolarHBondContact O-N 3.16Å; Y121-K125 VanDerWaalsContact O-CB 3.24Å; Y121-K125 WeakPolarHBondContact O-CB 3.26Å; Y121-K125 PolarHBondContact O-N 2.98Å
122	Q	38.9	Very low	33.6	Very low	86 Å²	86	94.1 Å²	94.1	40%	0.402	44%	0.444	S	S	.	.	H	α-helix	trans	-67.6	-43.5	170.4	-75.4	-158.5	-11.1	0	0	110.7	E118 L124 K125 W126 Y718	E118-Q122 WeakPolarHBondContact O-CB 3.31Å; E118-Q122 WeakPolarHBondContact O-CG 3.34Å; E118-Q122 PolarHBondContact O-N 3.23Å; Q122-L124 VanDerWaalsContact C-N 3.28Å; Q122-L124 PolarHBondContact O-N 3.26Å; Q122-K125 PolarHBondContact O-N 3.43Å; Q122-K125 VanDerWaalsContact O-N 3.12Å; Q122-W126 WeakPolarHBondContact O-CB 3.45Å; Q122-W126 PolarHBondContact O-N 3.22Å; Q122-Y718 PolarHBondContact OE1-OH 3.48Å
123	N	37.9	Very low	33.8	Very low	84 Å²	84	93.2 Å²	93.2	45%	0.449	44%	0.439	S	S	.	.	H	α-helix	trans	-59.6	-38.9	172.8	-90.3	-99.2	0	0	0	111.8	M115 S119 Y120 Y127	M115-N123 HydrophobicContact CE-CB 3.76Å; M115-N123 VanDerWaalsContact CE-CG 3.5Å; M115-N123 VanDerWaalsContact CE-ND2 3.3Å; M115-N123 WeakPolarHBondContact CE-ND2 3.41Å; S119-N123 VanDerWaalsContact O-CB 3.26Å; S119-N123 WeakPolarHBondContact O-CB 3.43Å; S119-N123 PolarHBondContact O-N 3.15Å; S119-N123 PolarHBondContact O-ND2 3.49Å; Y120-N123 PolarHBondContact O-N 3.42Å; N123-Y127 WeakPolarHBondContact O-CA 3.24Å; N123-Y127 WeakPolarHBondContact O-CB 3.34Å; N123-Y127 PolarHBondContact O-N 2.81Å
124	L	35.1	Very low	33.9	Very low	57 Å²	57	96.6 Å²	96.6	30%	0.298	45%	0.454	S	S	.	.	H	α-helix	trans	-70	-34.6	173.6	-87.6	172.5	0	0	0	113.4	Y120 Y121 Q122 K128	Y120-L124 HydrophobicContact CD1-CD1 3.92Å; Y120-L124 HydrophobicContact CE1-CD1 3.36Å; Y120-L124 HydrophobicContact CE1-CG 4.38Å; Y120-L124 HydrophobicContact CE2-CD1 4.41Å; Y120-L124 WeakPolarHBondContact O-CB 3.46Å; Y120-L124 PolarHBondContact O-N 3.49Å; Y121-L124 PolarHBondContact O-N 3.16Å; Q122-L124 VanDerWaalsContact C-N 3.28Å; Q122-L124 PolarHBondContact O-N 3.26Å; L124-K128 WeakPolarHBondContact O-CB 3.33Å; L124-K128 WeakPolarHBondContact O-CG 3.28Å; L124-K128 PolarHBondContact O-N 3.26Å
125	K	35.1	Very low	33.8	Very low	154 Å²	154	98.3 Å²	98.3	67%	0.67	47%	0.466	S	S	*	.	H	α-helix	trans	-70.7	-47.4	177.4	-166.8	175.5	-176.8	-177.9	0	110	Y121 Q122 K128 T129	Y121-K125 VanDerWaalsContact O-CB 3.24Å; Y121-K125 WeakPolarHBondContact O-CB 3.26Å; Y121-K125 PolarHBondContact O-N 2.98Å; Q122-K125 PolarHBondContact O-N 3.43Å; Q122-K125 VanDerWaalsContact O-N 3.12Å; K125-K128 CarbonylContact O-C 3.54Å; K125-K128 WeakPolarHBondContact O-CA 3.37Å; K125-K128 WeakPolarHBondContact O-CB 3.31Å; K125-K128 PolarHBondContact O-N 3.26Å; K125-K128 VanDerWaalsContact O-N 3.1Å; K125-T129 PolarHBondContact O-N 3.11Å; K125-T129 PolarHBondContact O-OG1 2.91Å
126	W	34.9	Very low	33.7	Very low	130 Å²	130	103.5 Å²	103.5	49%	0.492	49%	0.494	S	S	.	.	H	α-helix	trans	-62.5	-42.7	172.2	-124.5	42.1	0	0	0	111.8	Q122 K128 T129 S130 D745	Q122-W126 WeakPolarHBondContact O-CB 3.45Å; Q122-W126 PolarHBondContact O-N 3.22Å; W126-K128 PolarHBondContact O-N 3.25Å; W126-T129 PolarHBondContact O-N 3.06Å; W126-T129 PolarHBondContact O-OG1 2.82Å; W126-S130 VanDerWaalsContact O-CB 3.25Å; W126-S130 WeakPolarHBondContact O-CB 3.44Å; W126-S130 PolarHBondContact O-N 2.84Å; W126-S130 PolarHBondContact O-OG 3.18Å; W126-D745 VanDerWaalsContact CD1-OD1 3.3Å; W126-D745 PolarHBondContact NE1-OD1 2.96Å
127	Y	35.6	Very low	33.2	Very low	135 Å²	135	111 Å²	111	53%	0.529	53%	0.529	S	S	.	.	H	α-helix	trans	-69.6	-16.2	175	-161	-97.3	0	0	0	112.7	N123 N131	N123-Y127 WeakPolarHBondContact O-CA 3.24Å; N123-Y127 WeakPolarHBondContact O-CB 3.34Å; N123-Y127 PolarHBondContact O-N 2.81Å; Y127-N131 WeakPolarHBondContact O-CB 3.48Å; Y127-N131 PolarHBondContact O-ND2 3.3Å
128	K	34.7	Very low	33	Very low	133 Å²	133	114.5 Å²	114.5	58%	0.578	54%	0.544	S	S	*	.	H	α-helix	trans	-84.6	-53.9	167.1	-76.6	172.4	179.4	-175.3	0	111.1	L124 K125 W126 S130 N131 I132	L124-K128 WeakPolarHBondContact O-CB 3.33Å; L124-K128 WeakPolarHBondContact O-CG 3.28Å; L124-K128 PolarHBondContact O-N 3.26Å; K125-K128 CarbonylContact O-C 3.54Å; K125-K128 WeakPolarHBondContact O-CA 3.37Å; K125-K128 WeakPolarHBondContact O-CB 3.31Å; K125-K128 PolarHBondContact O-N 3.26Å; K125-K128 VanDerWaalsContact O-N 3.1Å; W126-K128 PolarHBondContact O-N 3.25Å; K128-S130 PolarHBondContact O-N 2.92Å; K128-N131 CarbonylContact O-C 3.6Å; K128-N131 PolarHBondContact O-N 2.88Å; K128-N131 VanDerWaalsContact O-N 3.07Å; K128-I132 HydrophobicContact CB-CD1 4.32Å; K128-I132 WeakPolarHBondContact O-CD1 3.4Å; K128-I132 WeakPolarHBondContact O-CG1 3.47Å; K128-I132 PolarHBondContact O-N 2.84Å
129	T	37.1	Very low	32.5	Very low	54 Å²	54	117.1 Å²	117.1	33%	0.331	57%	0.565	S	S	.	*	H	α-helix	trans	-59.3	-47.8	179.9	58.1	0	0	0	0	112.1	K125 W126 N131 I132 D745	K125-T129 PolarHBondContact O-N 3.11Å; K125-T129 PolarHBondContact O-OG1 2.91Å; W126-T129 PolarHBondContact O-N 3.06Å; W126-T129 PolarHBondContact O-OG1 2.82Å; T129-N131 PolarHBondContact O-N 3.41Å; T129-N131 VanDerWaalsContact O-N 3.17Å; T129-I132 CarbonylContact O-C 3.55Å; T129-I132 WeakPolarHBondContact O-CA 3.48Å; T129-I132 PolarHBondContact O-N 2.86Å; T129-D745 VanDerWaalsContact CB-OD2 3.32Å; T129-D745 WeakPolarHBondContact CB-OD2 3.41Å; T129-D745 PolarHBondContact OG1-OD1 2.68Å; T129-D745 PolarHBondContact OG1-OD2 3.46Å; T129-D745 VanDerWaalsContact OG1-OD2 3.05Å
130	S	33.3	Very low	32	Very low	59 Å²	59	124.1 Å²	124.1	41%	0.413	60%	0.601	S	S	.	*	T	Hydrogen-bonded Turn	trans	-67	-14	176.1	64.8	0	0	0	0	115.1	W126 K128	W126-S130 VanDerWaalsContact O-CB 3.25Å; W126-S130 WeakPolarHBondContact O-CB 3.44Å; W126-S130 PolarHBondContact O-N 2.84Å; W126-S130 PolarHBondContact O-OG 3.18Å; K128-S130 PolarHBondContact O-N 2.92Å
131	N	32.7	Very low	31.5	Very low	70 Å²	70	130.1 Å²	130.1	37%	0.374	62%	0.623	S	S	.	*	T	Hydrogen-bonded Turn	trans	-93.7	-21.1	166.7	-85	-78.7	0	0	0	112.8	Y127 K128 T129 N133	Y127-N131 WeakPolarHBondContact O-CB 3.48Å; Y127-N131 PolarHBondContact O-ND2 3.3Å; K128-N131 CarbonylContact O-C 3.6Å; K128-N131 PolarHBondContact O-N 2.88Å; K128-N131 VanDerWaalsContact O-N 3.07Å; T129-N131 PolarHBondContact O-N 3.41Å; T129-N131 VanDerWaalsContact O-N 3.17Å; N131-N133 PolarHBondContact O-N 2.99Å
132	I	30.7	Very low	30.9	Very low	129 Å²	129	129.9 Å²	129.9	66%	0.662	63%	0.632	S	S	*	*	S	Bend	trans	-84.1	52.7	175.9	-60.9	159.4	0	0	0	109.6	K128 T129	K128-I132 HydrophobicContact CB-CD1 4.32Å; K128-I132 WeakPolarHBondContact O-CD1 3.4Å; K128-I132 WeakPolarHBondContact O-CG1 3.47Å; K128-I132 PolarHBondContact O-N 2.84Å; T129-I132 CarbonylContact O-C 3.55Å; T129-I132 WeakPolarHBondContact O-CA 3.48Å; T129-I132 PolarHBondContact O-N 2.86Å
133	N	29.2	Very low	30.3	Very low	141 Å²	141	131.9 Å²	131.9	75%	0.754	65%	0.646	S	S	*	*	S	Bend	trans	-167.1	-17.3	149.8	-115.2	-27.5	0	0	0	113.5	N131 K135	N131-N133 PolarHBondContact O-N 2.99Å; N133-K135 PolarHBondContact O-N 3.22Å
134	M	29.3	Very low	29.7	Very low	156 Å²	156	134.6 Å²	134.6	77%	0.768	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.5	18.6	-179.6	-62.7	-153.2	79.6	0	0	115.6
135	K	28.4	Very low	29.4	Very low	170 Å²	170	138.8 Å²	138.8	74%	0.739	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-133.2	-14.1	-177.3	-76.7	-168	172.3	-172.5	0	116.7	N133 Q137	N133-K135 PolarHBondContact O-N 3.22Å; K135-Q137 PolarHBondContact O-N 3.39Å
136	N	27.3	Very low	29.2	Very low	149 Å²	149	138.3 Å²	138.3	80%	0.797	69%	0.688	S	S	*	*	S	Bend	trans	-103.5	61.4	-178.9	-75.4	14.4	0	0	0	112.1
137	Q	26.2	Very low	29	Very low	192 Å²	192	139.8 Å²	139.8	90%	0.897	71%	0.705	S	S	*	*			trans	-153.8	72.2	157.6	-115.7	179.6	16.7	0	0	110	K135	K135-Q137 PolarHBondContact O-N 3.39Å
138	N	25.8	Very low	28.6	Very low	150 Å²	150	140.9 Å²	140.9	80%	0.802	72%	0.715	S	S	*	*			trans	-145	149.4	164.6	-98.5	-42.4	0	0	0	107
139	V	24.6	Very low	28.2	Very low	134 Å²	134	142 Å²	142	81%	0.812	73%	0.726	S	S	*	*			trans	66	93	-176.3	-163	0	0	0	0	114
140	L	23.9	Very low	27.7	Very low	150 Å²	150	142.6 Å²	142.6	79%	0.785	74%	0.743	S	S	*	*				-176.8	81.8	118.7	-95.7	172.2	0	0	0	110.4
141	W	23.4	Very low	27.3	Very low	249 Å²	249	147 Å²	147	94%	0.943	76%	0.761	S	S	*	*			trans	-118.9	100	143.1	-123	61.2	0	0	0	105.1
142	N	25.7	Very low	27.2	Very low	145 Å²	145	150.9 Å²	150.9	78%	0.775	78%	0.781	S	S	*	*			trans	-151.6	140.9	171.1	-140.5	20.7	0	0	0	106.5
143	N	25.5	Very low	27	Very low	129 Å²	129	152.8 Å²	152.8	69%	0.69	78%	0.784	S	S	*	*			trans	-75.9	152.2	-164.6	-70.9	-3.9	0	0	0	113.7
144	N	26.1	Very low	26.8	Very low	141 Å²	141	152.9 Å²	152.9	75%	0.754	79%	0.785	S	S	*	*			trans	72.1	124.5	156.7	-57.8	-5	0	0	0	119.3
145	N	27.3	Very low	26.8	Very low	145 Å²	145	153.8 Å²	153.8	78%	0.775	79%	0.787	S	S	*	*			trans	33.9	118.6	141.2	-58.1	4	0	0	0	120.6
146	N	31.4	Very low	27.1	Very low	144 Å²	144	156.7 Å²	156.7	77%	0.77	79%	0.793	S	S	*	*			trans	36.2	120.6	133.4	-54.8	-3.8	0	0	0	119.6
147	N	30.8	Very low	27.1	Very low	160 Å²	160	157.3 Å²	157.3	86%	0.856	79%	0.789	S	S	*	*				-167.2	-179.9	114.5	-100.4	-4.2	0	0	0	114.1
148	E	27	Very low	27	Very low	158 Å²	158	152.9 Å²	152.9	74%	0.738	77%	0.769	S	S	*	*			trans	-91.3	151.5	-149	-63.3	177.5	104.7	0	0	118.2
149	I	26.9	Very low	27.1	Very low	157 Å²	157	152.6 Å²	152.6	81%	0.805	77%	0.766	S	S	*	*				48	125.1	128.2	-55.3	167.8	0	0	0	120.9
150	G	26.2	Very low	27.2	Very low	67 Å²	67	153.4 Å²	153.4	69%	0.691	77%	0.766	S	S	*	*			trans	124.2	155.5	152.6	0	0	0	0	0	114.8
151	L	24.2	Very low	27.2	Very low	150 Å²	150	151.7 Å²	151.7	79%	0.785	77%	0.765	S	S	*	*			cis	-164.1	168.8	-17.4	-125.8	167.8	0	0	0	108.4
152	L	31	Very low	27.2	Very low	153 Å²	153	147.4 Å²	147.4	80%	0.801	76%	0.76	S	S	*	*			trans	73.7	149.2	178	-53.3	170.2	0	0	0	118.1
153	K	26.5	Very low	27.2	Very low	169 Å²	169	147.7 Å²	147.7	74%	0.735	76%	0.761	S	S	*	*				-161.8	151.7	-66.5	-112.4	178.8	-177.2	178.1	0	110.1
154	N	26	Very low	27.1	Very low	142 Å²	142	147.1 Å²	147.1	76%	0.759	76%	0.761	S	S	*	*			trans	64.5	134.5	171.1	-58.7	5.3	0	0	0	116
155	E	28.8	Very low	27.1	Very low	175 Å²	175	146.1 Å²	146.1	82%	0.818	76%	0.761	S	S	*	*			cis	-125.6	157.9	1.8	-117	165.7	-152.9	0	0	112.4
156	R	35.3	Very low	27	Very low	231 Å²	231	148.1 Å²	148.1	87%	0.872	76%	0.763	S	S	*	*			trans	-134.3	180	-161.4	-133.5	-178.9	-173.1	-169.7	3.4	111.1
157	K	26.1	Very low	26.7	Very low	162 Å²	162	148.2 Å²	148.2	70%	0.704	76%	0.763	S	S	*	*			trans	69.7	128.6	-174.3	-49.3	178.9	179.8	-178.5	0	110.8	K250	K157-K250 VanDerWaalsContact O-CE 3.22Å; K157-K250 WeakPolarHBondContact O-CE 3.35Å; K157-K250 PolarHBondContact O-NZ 3.43Å
158	E	25.5	Very low	26.5	Very low	100 Å²	100	145.3 Å²	145.3	47%	0.467	76%	0.755	S	S	.	*			cis	-144.7	171.4	11.6	-88.1	125.8	-140.4	0	0	108.6	I254	E158-I254 VanDerWaalsContact OE2-CD1 3.26Å; E158-I254 WeakPolarHBondContact OE2-CD1 3.16Å; E158-I254 WeakPolarHBondContact OE2-CG1 3.49Å
159	L	26.9	Very low	26.4	Very low	144 Å²	144	143.8 Å²	143.8	75%	0.754	75%	0.752	S	S	*	*			cis	-145.4	134.9	0.7	-133	153.6	0	0	0	108.6
160	N	25.9	Very low	26.5	Very low	150 Å²	150	146.4 Å²	146.4	80%	0.802	75%	0.754	S	S	*	*			trans	-97	136.4	170.5	-82.2	-23.1	0	0	0	110
161	C	24.1	Very low	26.6	Very low	115 Å²	115	148.2 Å²	148.2	78%	0.777	75%	0.747	S	S	*	*			trans	-172.8	122.1	158	-96.2	0	0	0	0	108.5
162	L	24.9	Very low	26.7	Very low	159 Å²	159	147.8 Å²	147.8	83%	0.832	75%	0.746	S	S	*	*			cis	-126	152.6	-12.7	-105.4	89.8	0	0	0	110.7
163	L	24.2	Very low	26.6	Very low	151 Å²	151	147.7 Å²	147.7	79%	0.791	75%	0.746	S	S	*	*			trans	-113.2	-169.5	159.6	-95.8	163.1	0	0	0	107.5
164	V	22.9	Very low	26.6	Very low	116 Å²	116	145.6 Å²	145.6	70%	0.703	74%	0.743	S	S	*	*			trans	77.2	100.1	162.8	-171.7	0	0	0	0	113.8
165	T	27.8	Very low	26.5	Very low	121 Å²	121	146 Å²	146	74%	0.742	74%	0.74	S	S	*	*				68.6	119.3	55.9	74.9	0	0	0	0	116
166	K	24.5	Very low	26.3	Very low	187 Å²	187	143 Å²	143	81%	0.813	73%	0.734	S	S	*	*			trans	-163.6	124.6	156	-102.6	157.8	-175.8	-175.8	0	106.8
167	N	25	Very low	25.7	Very low	146 Å²	146	136.5 Å²	136.5	78%	0.781	72%	0.724	S	S	*	*				73.1	136.1	89.9	-67	31.4	0	0	0	112.4
168	S	26.7	Very low	25.6	Very low	99 Å²	99	137.2 Å²	137.2	69%	0.692	73%	0.728	S	S	*	*			cis	-162.8	151.8	3.1	37.8	0	0	0	0	113.6
169	N	24.4	Very low	25.5	Very low	125 Å²	125	139.8 Å²	139.8	67%	0.668	74%	0.737	S	S	*	*			trans	19.2	133.2	143.9	-49.6	27.4	0	0	0	121.2
170	Y	29.8	Very low	25.4	Very low	213 Å²	213	138.9 Å²	138.9	84%	0.835	73%	0.733	S	S	*	*				-157.1	128.8	104.2	-86.2	-75.4	0	0	0	104.9
171	D	27.8	Very low	25.5	Very low	105 Å²	105	139.1 Å²	139.1	56%	0.561	73%	0.73	S	S	*	*				60.4	135.2	67.1	-39.4	-4.6	0	0	0	111.2
172	D	27.7	Very low	25.6	Very low	141 Å²	141	140.6 Å²	140.6	75%	0.754	73%	0.727	S	S	*	*			cis	-165.4	157.8	-23.7	-107.7	-20	0	0	0	107.4
173	D	27.2	Very low	25.7	Very low	150 Å²	150	138.4 Å²	138.4	80%	0.802	72%	0.716	S	S	*	*			trans	55.3	155.2	159.6	-71.2	-28.1	0	0	0	125
174	D	26.5	Very low	25.8	Very low	126 Å²	126	137.9 Å²	137.9	67%	0.674	71%	0.713	S	S	*	*			trans	66.1	104.1	151.9	-82.2	-18.5	0	0	0	125.6
175	Q	24.9	Very low	26.1	Very low	150 Å²	150	140.4 Å²	140.4	70%	0.701	72%	0.719	S	S	*	*				79.6	144.2	119.1	-73.9	-179.1	67.8	0	0	124.4
176	T	24.1	Very low	26.1	Very low	112 Å²	112	140 Å²	140	69%	0.687	71%	0.712	S	S	*	*			trans	54.6	88.7	150.1	51	0	0	0	0	121.5
177	S	23.2	Very low	26.3	Very low	95 Å²	95	138.8 Å²	138.8	66%	0.664	71%	0.709	S	S	*	*				53.6	147.8	105.6	71.6	0	0	0	0	123.1
178	F	23.2	Very low	26.5	Very low	177 Å²	177	138.1 Å²	138.1	78%	0.776	71%	0.705	S	S	*	*			trans	114.5	120.5	159.2	-87.7	-122	0	0	0	117.8
179	F	24.5	Very low	26.8	Very low	154 Å²	154	138.3 Å²	138.3	68%	0.675	70%	0.703	S	S	*	*			trans	70.5	111.9	140	-82.8	-119.6	0	0	0	122.9
180	N	24.4	Very low	26.9	Very low	124 Å²	124	137.9 Å²	137.9	66%	0.663	71%	0.705	S	S	*	*				57.7	158.2	109.4	-77.5	20.7	0	0	0	124.2
181	E	27.7	Very low	26.9	Very low	156 Å²	156	134 Å²	134	73%	0.729	70%	0.698	S	S	*	*			trans	72	151.1	158.1	-75.3	152.2	-130.5	0	0	118.1
182	M	26.2	Very low	27.1	Very low	146 Å²	146	134.5 Å²	134.5	72%	0.719	71%	0.706	S	S	*	*			cis	-162.4	177.5	-40.3	-133.5	165.5	76.3	0	0	109.3
183	D	28	Very low	27.1	Very low	112 Å²	112	135.2 Å²	135.2	60%	0.599	71%	0.709	S	S	*	*			trans	64.5	126.3	159.1	-57	-17.9	0	0	0	118.6
184	I	26.5	Very low	27.4	Very low	141 Å²	141	132.8 Å²	132.8	72%	0.723	70%	0.702	S	S	*	*				78.7	106.6	53.7	-61.2	166.2	0	0	0	112.5
185	M	28.6	Very low	27.3	Very low	168 Å²	168	131.7 Å²	131.7	83%	0.828	70%	0.704	S	S	*	*				167.4	125.4	124.7	-84.7	-151.1	175.8	0	0	114
186	N	27.3	Very low	27.4	Very low	112 Å²	112	129.8 Å²	129.8	60%	0.599	71%	0.707	S	S	*	*			trans	42	135.4	131.9	-69	38.3	0	0	0	124.9
187	E	28.2	Very low	27.4	Very low	162 Å²	162	130.6 Å²	130.6	76%	0.757	71%	0.707	S	S	*	*			trans	64.6	155.7	131.7	-62.3	160.2	158.8	0	0	118
188	D	30.1	Very low	27.6	Very low	132 Å²	132	136.4 Å²	136.4	71%	0.706	72%	0.716	S	S	*	*			cis	-157.6	-179.8	11.7	-150.8	-17.6	0	0	0	111.8
189	T	31.9	Very low	27.8	Very low	104 Å²	104	135.5 Å²	135.5	64%	0.638	71%	0.713	S	S	*	*			trans	57.9	106.3	155.9	50	0	0	0	0	119.4
190	T	27.3	Very low	27.9	Very low	116 Å²	116	136 Å²	136	71%	0.712	72%	0.722	S	S	*	*				87.9	152.2	72.6	64.5	0	0	0	0	117.3
191	D	29.7	Very low	27.9	Very low	130 Å²	130	135.7 Å²	135.7	70%	0.695	72%	0.721	S	S	*	*			trans	86.3	111.3	153.3	-62.1	-49.6	0	0	0	124.6
192	T	31.5	Very low	27.9	Very low	117 Å²	117	134.4 Å²	134.4	72%	0.718	72%	0.719	S	S	*	*			trans	83.3	104.3	130.1	58.4	0	0	0	0	123.9
193	N	27.6	Very low	27.9	Very low	155 Å²	155	131.8 Å²	131.8	83%	0.829	72%	0.715	S	S	*	*				67.9	168.8	114.4	-102.4	-7.3	0	0	0	120.8
194	P	34.7	Very low	27.8	Very low	99 Å²	99	133.6 Å²	133.6	64%	0.643	72%	0.724	S	S	*	*				-139.3	-174.1	-129.8	44.2	-24.4	0	0	0	117.5
195	S	24.4	Very low	27.7	Very low	104 Å²	104	132 Å²	132	73%	0.727	72%	0.721	S	S	*	*			trans	78.6	161.9	150.1	81.3	0	0	0	0	119.3
196	S	25.8	Very low	27.5	Very low	109 Å²	109	132.6 Å²	132.6	76%	0.762	72%	0.719	S	S	*	*			trans	68.4	155.3	176.7	87.8	0	0	0	0	114.7
197	L	24.4	Very low	27.4	Very low	129 Å²	129	133.2 Å²	133.2	68%	0.675	72%	0.722	S	S	*	*			cis	-164.9	162	-29.2	-125.5	148.1	0	0	0	106.9
198	Y	28.8	Very low	27.3	Very low	218 Å²	218	135.7 Å²	135.7	86%	0.855	73%	0.726	S	S	*	*				163.1	125.2	125.1	-96.2	-72.7	0	0	0	113.2
199	H	25.7	Very low	27.3	Very low	157 Å²	157	136.5 Å²	136.5	73%	0.727	73%	0.73	S	S	*	*			trans	-83.8	155.8	163.2	-73.5	-99.5	0	0	0	110.9
200	L	27.8	Very low	27.4	Very low	164 Å²	164	137.2 Å²	137.2	86%	0.859	74%	0.736	S	S	*	*			trans	172.8	103.1	137.5	-93.7	153.4	0	0	0	107.2
201	N	24.8	Very low	27.5	Very low	119 Å²	119	137.7 Å²	137.7	64%	0.636	73%	0.734	S	S	*	*			cis	85.6	118.9	39.4	-154.9	21	0	0	0	114.4
202	N	26.1	Very low	27.6	Very low	129 Å²	129	138.7 Å²	138.7	69%	0.69	73%	0.734	S	S	*	*			trans	72.6	107.3	153	-83.2	-18.5	0	0	0	123.9
203	S	26.4	Very low	27.5	Very low	91 Å²	91	139.9 Å²	139.9	64%	0.636	73%	0.731	S	S	*	*				103.3	166	98.5	76.3	0	0	0	0	121.6
204	L	25.4	Very low	27.6	Very low	149 Å²	149	140 Å²	140	78%	0.78	73%	0.727	S	S	*	*			trans	70.6	148.4	159.5	-63.6	173.3	0	0	0	117.8
205	T	25	Very low	27.2	Very low	108 Å²	108	140.9 Å²	140.9	66%	0.663	73%	0.73	S	S	*	*			cis	-163.3	156.6	-35.9	9.6	0	0	0	0	110.3
206	K	25.6	Very low	27.2	Very low	180 Å²	180	140.1 Å²	140.1	78%	0.783	72%	0.724	S	S	*	*			trans	67.9	155.1	150	-78	-179.6	177.2	177.5	0	120.4
207	N	24.8	Very low	27.2	Very low	126 Å²	126	141 Å²	141	67%	0.674	72%	0.721	S	S	*	*			trans	87.6	130.4	146.5	-72.2	-3.2	0	0	0	122.9
208	Y	25.2	Very low	27.2	Very low	214 Å²	214	143.6 Å²	143.6	84%	0.839	73%	0.727	S	S	*	*			trans	75.2	136.7	151.7	-69.3	-60.7	0	0	0	124
209	L	31.5	Very low	27.6	Very low	149 Å²	149	138.3 Å²	138.3	78%	0.78	72%	0.719	S	S	*	*			trans	-76.6	168.8	171	-76.7	75.1	0	0	0	111.7
210	P	32.4	Very low	27.6	Very low	118 Å²	118	139.6 Å²	139.6	77%	0.766	72%	0.723	S	S	*	*				-150	134.5	97.3	35.6	-17.2	0	0	0	118.2
211	N	29.1	Very low	27.4	Very low	126 Å²	126	137.4 Å²	137.4	67%	0.674	71%	0.712	S	S	*	*			trans	48.5	164.1	132.4	-72.2	-11.6	0	0	0	126.2
212	H	32	Very low	27.4	Very low	151 Å²	151	136.2 Å²	136.2	70%	0.699	71%	0.709	S	S	*	*			trans	81.1	129.1	171	-54	-84.2	0	0	0	116.5
213	H	31	Very low	27.3	Very low	143 Å²	143	135.7 Å²	135.7	66%	0.662	71%	0.711	S	S	*	*			cis	-155	157.6	-5.8	-108	-50.5	0	0	0	111.4
214	H	28	Very low	27.2	Very low	158 Å²	158	136.5 Å²	136.5	73%	0.731	71%	0.712	S	S	*	*			trans	18	148.6	149.9	-60.3	-47.2	0	0	0	122.2
215	V	26.8	Very low	27.1	Very low	116 Å²	116	135.5 Å²	135.5	70%	0.703	71%	0.707	S	S	*	*			cis	-156.5	124.5	6.2	117.9	0	0	0	0	107
216	S	25	Very low	27.1	Very low	88 Å²	88	135.8 Å²	135.8	62%	0.615	71%	0.709	S	S	*	*				76.5	124.3	90.3	122.4	0	0	0	0	118.5
217	N	24.9	Very low	27.1	Very low	128 Å²	128	134.2 Å²	134.2	68%	0.684	70%	0.704	S	S	*	*			trans	83.8	109.6	141.4	-74.1	-58.8	0	0	0	123.9
218	K	25	Very low	27.1	Very low	184 Å²	184	134.2 Å²	134.2	80%	0.8	70%	0.704	S	S	*	*				95.5	143.2	124.8	-72.7	177.8	-179.9	-178.3	0	121.3
219	P	38.3	Very low	27.1	Very low	107 Å²	107	130.3 Å²	130.3	70%	0.695	70%	0.698	S	S	*	*			trans	-97.8	-146.8	175.8	42.4	-36	0	0	0	111.2
220	F	24.1	Very low	26.9	Very low	183 Å²	183	131.2 Å²	131.2	80%	0.803	70%	0.698	S	S	*	*			trans	89.8	141.6	-176.4	-73.8	-106.8	0	0	0	115.1
221	N	24.5	Very low	26.5	Very low	118 Å²	118	130 Å²	130	63%	0.631	69%	0.692	S	S	*	*			cis	-166.9	176.4	-26.2	-152.2	0	0	0	0	111.1
222	T	24.4	Very low	26.3	Very low	94 Å²	94	131.1 Å²	131.1	58%	0.577	70%	0.697	S	S	*	*			trans	56.2	126.7	142.1	50.2	0	0	0	0	123
223	T	23.7	Very low	25.9	Very low	119 Å²	119	127.3 Å²	127.3	73%	0.73	69%	0.687	S	S	*	*				73.8	155.2	126.7	66.7	0	0	0	0	120.4
224	T	23.7	Very low	26	Very low	108 Å²	108	126.9 Å²	126.9	66%	0.663	69%	0.69	S	S	*	*			cis	-164.1	158.1	-18.1	27.1	0	0	0	0	110.8
225	N	24	Very low	25.9	Very low	128 Å²	128	121.9 Å²	121.9	68%	0.684	67%	0.669	S	S	*	*			trans	56.4	122.2	137.8	-64.4	-3.3	0	0	0	122.5
226	T	24.3	Very low	26.1	Very low	114 Å²	114	121.9 Å²	121.9	70%	0.699	67%	0.669	S	S	*	*				86.3	150	124.4	57.7	0	0	0	0	122.4
227	H	26.9	Very low	26.5	Very low	147 Å²	147	120.1 Å²	120.1	68%	0.681	66%	0.655	S	S	*	*			trans	87.3	91.3	154.5	-67.1	-46.3	0	0	0	121.2
228	N	24.1	Very low	26.8	Very low	125 Å²	125	121.8 Å²	121.8	67%	0.668	65%	0.653	S	S	*	*				89.6	141.5	112.7	-67.6	3.8	0	0	0	120.6
229	N	25.2	Very low	27.1	Very low	133 Å²	133	115.8 Å²	115.8	71%	0.711	63%	0.634	S	S	*	*			trans	83.6	138.2	151.9	-59.8	-16.7	0	0	0	120
230	H	28.1	Very low	26.9	Very low	168 Å²	168	115.6 Å²	115.6	78%	0.778	62%	0.624	S	S	*	*			trans	54.2	101.1	168.9	-53.4	-59.4	0	0	0	118.1
231	S	23.1	Very low	27.5	Very low	93 Å²	93	110.9 Å²	110.9	65%	0.65	60%	0.601	S	S	*	*				76.3	101	54	81.1	0	0	0	0	115.7
232	L	24.6	Very low	28	Very low	149 Å²	149	108.1 Å²	108.1	78%	0.78	59%	0.586	S	S	*	*			trans	-176.9	66.4	137.8	-100.9	157.9	0	0	0	118.3	E96	E96-L232 VanDerWaalsContact OE1-O 3.09Å
233	S	24.3	Very low	28.6	Very low	70 Å²	70	107.3 Å²	107.3	49%	0.49	58%	0.577	S	S	.	*				91.1	50.9	125.8	73.6	0	0	0	0	125.9	E96	E96-S233 WeakPolarHBondContact CB-O 3.45Å
234	N	32.8	Very low	29.2	Very low	134 Å²	134	105.9 Å²	105.9	72%	0.717	57%	0.565	S	S	*	*			trans	59.7	98.4	143.3	-54.6	-27.9	0	0	0	120.2	E96	E96-N234 PolarHBondContact OE1-N 3.42Å; E96-N234 VanDerWaalsContact OE2-C 3.23Å; E96-N234 WeakPolarHBondContact OE2-CA 3.21Å; E96-N234 PolarHBondContact OE2-N 3Å
235	N	25.7	Very low	29.8	Very low	53 Å²	53	102.5 Å²	102.5	28%	0.283	54%	0.541	S	S	.	.			trans	176.9	83.4	137.6	-106.6	-93.1	0	0	0	112.1	E96 I99 S100 N103	E96-N235 PolarHBondContact OE2-N 3.45Å; I99-N235 HydrophobicContact CB-CB 4.14Å; I99-N235 HydrophobicContact CG2-CB 4.29Å; I99-N235 WeakPolarHBondContact CG2-O 3.25Å; S100-N235 WeakPolarHBondContact CB-ND2 3.2Å; N103-N235 PolarHBondContact ND2-OD1 3.33Å
236	T	31.3	Very low	30.3	Very low	117 Å²	117	103.6 Å²	103.6	72%	0.718	54%	0.54	S	S	*	.			trans	-114.1	97.2	172.4	55.7	0	0	0	0	113.1
237	T	33.8	Very low	30.7	Very low	50 Å²	50	102.4 Å²	102.4	31%	0.307	53%	0.526	S	S	.	.			trans	-29	144.3	178.4	45.1	0	0	0	0	120.1	I99 N103 S239 Q240	I99-T237 HydrophobicContact CG2-CG2 4.44Å; N103-T237 WeakPolarHBondContact OD1-CG2 3.41Å; T237-S239 VanDerWaalsContact CB-OG 3.3Å; T237-S239 WeakPolarHBondContact CB-OG 3.3Å; T237-S239 PolarHBondContact O-N 3.47Å; T237-S239 PolarHBondContact OG1-OG 2.92Å; T237-Q240 PolarHBondContact O-N 3.35Å
238	Y	30.4	Very low	31	Very low	163 Å²	163	100.2 Å²	100.2	64%	0.639	52%	0.52	S	S	*	.	H	α-helix	trans	-46.5	-20.4	164.4	-174.8	-115.4	0	0	0	115.1	Y241 I242	Y238-Y241 AromaticContact CD2-CD1 3.73Å; Y238-Y241 HydrophobicContact CD2-CD1 3.73Å; Y238-Y241 HydrophobicContact CD2-CE1 4.3Å; Y238-Y241 AromaticContact CE2-CD1 3.72Å; Y238-Y241 HydrophobicContact CE2-CD1 3.72Å; Y238-Y241 AromaticContact CE2-CE1 3.85Å; Y238-Y241 HydrophobicContact CE2-CE1 3.85Å; Y238-Y241 PolarHBondContact O-N 3.05Å; Y238-I242 HydrophobicContact CD1-CD1 3.71Å; Y238-I242 HydrophobicContact CD1-CG1 4.4Å; Y238-I242 HydrophobicContact CE1-CD1 3.5Å; Y238-I242 HydrophobicContact CE1-CG1 4.26Å; Y238-I242 WeakPolarHBondContact O-CG1 3.45Å; Y238-I242 PolarHBondContact O-N 2.95Å
239	S	32.6	Very low	31.4	Very low	58 Å²	58	99.4 Å²	99.4	41%	0.406	51%	0.508	S	S	.	.	H	α-helix	trans	-64.7	-34.9	172.4	53.5	0	0	0	0	113	T237 I242 I243	T237-S239 VanDerWaalsContact CB-OG 3.3Å; T237-S239 WeakPolarHBondContact CB-OG 3.3Å; T237-S239 PolarHBondContact O-N 3.47Å; T237-S239 PolarHBondContact OG1-OG 2.92Å; S239-I242 PolarHBondContact O-N 3.41Å; S239-I243 WeakPolarHBondContact O-CB 3.29Å; S239-I243 WeakPolarHBondContact O-CD1 3.46Å; S239-I243 VanDerWaalsContact O-CG1 3.24Å; S239-I243 WeakPolarHBondContact O-CG1 3.22Å; S239-I243 PolarHBondContact O-N 2.78Å
240	Q	33.6	Very low	31.8	Very low	104 Å²	104	96.7 Å²	96.7	49%	0.486	49%	0.49	S	S	.	.	H	α-helix	trans	-74.2	-34	177.8	-152.3	67.8	12.4	0	0	111.5	T237 I243 N244	T237-Q240 PolarHBondContact O-N 3.35Å; Q240-I243 PolarHBondContact O-N 3.34Å; Q240-N244 WeakPolarHBondContact O-CB 3.42Å; Q240-N244 PolarHBondContact O-N 3.46Å
241	Y	35.7	Very low	31.9	Very low	84 Å²	84	92.1 Å²	92.1	33%	0.329	47%	0.471	S	S	.	.	H	α-helix	trans	-62.7	-41.7	169.3	170.1	-109	0	0	0	111.8	Y238 K245 Q327	Y238-Y241 AromaticContact CD2-CD1 3.73Å; Y238-Y241 HydrophobicContact CD2-CD1 3.73Å; Y238-Y241 HydrophobicContact CD2-CE1 4.3Å; Y238-Y241 AromaticContact CE2-CD1 3.72Å; Y238-Y241 HydrophobicContact CE2-CD1 3.72Å; Y238-Y241 AromaticContact CE2-CE1 3.85Å; Y238-Y241 HydrophobicContact CE2-CE1 3.85Å; Y238-Y241 PolarHBondContact O-N 3.05Å; Y241-K245 HydrophobicContact CE2-CD 4.26Å; Y241-K245 WeakPolarHBondContact O-CB 3.49Å; Y241-K245 PolarHBondContact O-N 2.86Å; Y241-K245 PolarHBondContact OH-NZ 3.11Å; Y241-Q327 PolarHBondContact OH-OE1 2.76Å
242	I	36	Very low	32.3	Very low	59 Å²	59	89.9 Å²	89.9	30%	0.303	45%	0.454	S	S	.	.	H	α-helix	trans	-65.1	-43.7	171.5	-73.4	175.2	0	0	0	111.4	Y238 S239 N244 K245 F246	Y238-I242 HydrophobicContact CD1-CD1 3.71Å; Y238-I242 HydrophobicContact CD1-CG1 4.4Å; Y238-I242 HydrophobicContact CE1-CD1 3.5Å; Y238-I242 HydrophobicContact CE1-CG1 4.26Å; Y238-I242 WeakPolarHBondContact O-CG1 3.45Å; Y238-I242 PolarHBondContact O-N 2.95Å; S239-I242 PolarHBondContact O-N 3.41Å; I242-N244 PolarHBondContact O-N 2.93Å; I242-K245 PolarHBondContact O-N 3.21Å; I242-F246 HydrophobicContact CG2-CD2 3.76Å; I242-F246 HydrophobicContact CG2-CE2 4.01Å; I242-F246 WeakPolarHBondContact O-CB 3.07Å; I242-F246 WeakPolarHBondContact O-CD2 3.3Å; I242-F246 PolarHBondContact O-N 3Å
243	I	36.2	Very low	32.7	Very low	78 Å²	78	88.9 Å²	88.9	40%	0.4	45%	0.448	S	S	.	.	H	α-helix	trans	-62.7	-42.4	178.2	-73.4	162.7	0	0	0	111	S239 Q240 F246 H247	S239-I243 WeakPolarHBondContact O-CB 3.29Å; S239-I243 WeakPolarHBondContact O-CD1 3.46Å; S239-I243 VanDerWaalsContact O-CG1 3.24Å; S239-I243 WeakPolarHBondContact O-CG1 3.22Å; S239-I243 PolarHBondContact O-N 2.78Å; Q240-I243 PolarHBondContact O-N 3.34Å; I243-F246 CarbonylContact O-C 3.41Å; I243-F246 PolarHBondContact O-N 2.75Å; I243-H247 PolarHBondContact O-N 3.31Å
244	N	36.1	Very low	33	Very low	89 Å²	89	88.8 Å²	88.8	48%	0.476	44%	0.441	S	S	.	.	H	α-helix	trans	-68.7	-36.4	175.9	-72.7	6	0	0	0	112	Q240 I242 H247 N248	Q240-N244 WeakPolarHBondContact O-CB 3.42Å; Q240-N244 PolarHBondContact O-N 3.46Å; I242-N244 PolarHBondContact O-N 2.93Å; N244-H247 PolarHBondContact O-N 3.18Å; N244-N248 WeakPolarHBondContact O-CB 3.34Å; N244-N248 PolarHBondContact O-N 3.01Å
245	K	36.8	Very low	32.7	Very low	36 Å²	36	87.9 Å²	87.9	16%	0.157	44%	0.436	C	S	.	.	H	α-helix	trans	-67.1	-32.9	170	-93.2	-174.7	169.2	178.4	0	113	Y241 I242 Y249 H324	Y241-K245 HydrophobicContact CE2-CD 4.26Å; Y241-K245 WeakPolarHBondContact O-CB 3.49Å; Y241-K245 PolarHBondContact O-N 2.86Å; Y241-K245 PolarHBondContact OH-NZ 3.11Å; I242-K245 PolarHBondContact O-N 3.21Å; K245-Y249 WeakPolarHBondContact O-CB 3.43Å; K245-Y249 PolarHBondContact O-N 3.17Å; K245-H324 WeakPolarHBondContact CD-NE2 3.42Å; K245-H324 WeakPolarHBondContact CE-NE2 3.43Å; K245-H324 PolarHBondContact NZ-CD2 3.05Å; K245-H324 PolarHBondContact NZ-CE1 2.85Å; K245-H324 PolarHBondContact NZ-NE2 3.33Å
246	F	34	Very low	32.8	Very low	151 Å²	151	89.7 Å²	89.7	66%	0.662	45%	0.446	S	S	*	.	H	α-helix	trans	-71.6	-37.4	171.7	-96.2	-85.3	0	0	0	112.8	I242 I243 K250	I242-F246 HydrophobicContact CG2-CD2 3.76Å; I242-F246 HydrophobicContact CG2-CE2 4.01Å; I242-F246 WeakPolarHBondContact O-CB 3.07Å; I242-F246 WeakPolarHBondContact O-CD2 3.3Å; I242-F246 PolarHBondContact O-N 3Å; I243-F246 CarbonylContact O-C 3.41Å; I243-F246 PolarHBondContact O-N 2.75Å; F246-K250 WeakPolarHBondContact O-CB 3.42Å; F246-K250 PolarHBondContact O-N 3.4Å
247	H	33	Very low	32.7	Very low	89 Å²	89	93.6 Å²	93.6	41%	0.412	45%	0.453	S	S	.	.	H	α-helix	trans	-66.4	-41	172.7	-106.7	-86.9	0	0	0	111.7	I243 N244 K250 N251	I243-H247 PolarHBondContact O-N 3.31Å; N244-H247 PolarHBondContact O-N 3.18Å; H247-K250 PolarHBondContact O-N 3.16Å; H247-N251 WeakPolarHBondContact O-CB 3.47Å; H247-N251 VanDerWaalsContact O-CG 3.23Å; H247-N251 PolarHBondContact O-N 2.7Å
248	N	34.1	Very low	32.5	Very low	101 Å²	101	96.8 Å²	96.8	54%	0.54	47%	0.474	S	S	.	.	H	α-helix	trans	-67.1	-46.1	173.6	-74.7	1.5	0	0	0	111.3	N244 K250 N251 T252	N244-N248 WeakPolarHBondContact O-CB 3.34Å; N244-N248 PolarHBondContact O-N 3.01Å; N248-K250 VanDerWaalsContact C-N 3.3Å; N248-K250 PolarHBondContact O-N 3.42Å; N248-N251 CarbonylContact O-C 3.34Å; N248-N251 PolarHBondContact O-N 3.01Å; N248-N251 VanDerWaalsContact O-N 3.16Å; N248-T252 WeakPolarHBondContact O-CB 3.28Å; N248-T252 PolarHBondContact O-N 2.84Å; N248-T252 PolarHBondContact O-OG1 3.13Å
249	Y	33	Very low	32.3	Very low	108 Å²	108	94.2 Å²	94.2	42%	0.424	48%	0.477	S	S	.	.	H	α-helix	trans	-59.4	-39.5	174.8	-109.1	-87.2	0	0	0	112.8	K245 T252 I253	K245-Y249 WeakPolarHBondContact O-CB 3.43Å; K245-Y249 PolarHBondContact O-N 3.17Å; Y249-T252 PolarHBondContact O-N 3.06Å; Y249-I253 HydrophobicContact CD1-CD1 4.29Å; Y249-I253 WeakPolarHBondContact O-CB 3.42Å; Y249-I253 VanDerWaalsContact O-CG1 3.28Å; Y249-I253 WeakPolarHBondContact O-CG1 3Å; Y249-I253 PolarHBondContact O-N 3.17Å
250	K	32.5	Very low	31.9	Very low	76 Å²	76	98.7 Å²	98.7	33%	0.33	50%	0.495	S	S	.	.	H	α-helix	trans	-61.5	-50.1	173.9	-174	-176.5	179.3	-168.7	0	110.6	K157 F246 H247 N248 T252 I253 I254	K157-K250 VanDerWaalsContact O-CE 3.22Å; K157-K250 WeakPolarHBondContact O-CE 3.35Å; K157-K250 PolarHBondContact O-NZ 3.43Å; F246-K250 WeakPolarHBondContact O-CB 3.42Å; F246-K250 PolarHBondContact O-N 3.4Å; H247-K250 PolarHBondContact O-N 3.16Å; N248-K250 VanDerWaalsContact C-N 3.3Å; N248-K250 PolarHBondContact O-N 3.42Å; K250-T252 VanDerWaalsContact C-N 3.34Å; K250-T252 PolarHBondContact O-N 3.05Å; K250-I253 PolarHBondContact O-N 2.66Å; K250-I254 HydrophobicContact CG-CD1 3.99Å; K250-I254 WeakPolarHBondContact O-CD1 3.05Å; K250-I254 VanDerWaalsContact O-CG1 3.24Å; K250-I254 WeakPolarHBondContact O-CG1 3.37Å; K250-I254 PolarHBondContact O-N 3.25Å
251	N	29.7	Very low	31.6	Very low	72 Å²	72	101.3 Å²	101.3	39%	0.385	51%	0.505	S	S	.	.	H	α-helix	trans	-67.8	-29.8	178.9	-69.3	-5.7	0	0	0	113.2	H247 N248 N255	H247-N251 WeakPolarHBondContact O-CB 3.47Å; H247-N251 VanDerWaalsContact O-CG 3.23Å; H247-N251 PolarHBondContact O-N 2.7Å; N248-N251 CarbonylContact O-C 3.34Å; N248-N251 PolarHBondContact O-N 3.01Å; N248-N251 VanDerWaalsContact O-N 3.16Å; N251-N255 WeakPolarHBondContact O-CB 3.41Å; N251-N255 PolarHBondContact O-N 3.01Å; N251-N255 VanDerWaalsContact O-N 3.12Å; N251-N255 PolarHBondContact O-ND2 2.87Å
252	T	31.8	Very low	31.1	Very low	47 Å²	47	105.4 Å²	105.4	29%	0.288	53%	0.533	S	S	.	.	H	α-helix	trans	-71.4	-39.5	172.4	-59.7	0	0	0	0	111	N248 Y249 K250 I254 N255 L256	N248-T252 WeakPolarHBondContact O-CB 3.28Å; N248-T252 PolarHBondContact O-N 2.84Å; N248-T252 PolarHBondContact O-OG1 3.13Å; Y249-T252 PolarHBondContact O-N 3.06Å; K250-T252 VanDerWaalsContact C-N 3.34Å; K250-T252 PolarHBondContact O-N 3.05Å; T252-I254 VanDerWaalsContact C-N 3.32Å; T252-I254 PolarHBondContact O-N 2.9Å; T252-N255 PolarHBondContact O-N 2.88Å; T252-L256 HydrophobicContact CG2-CD1 3.77Å; T252-L256 HydrophobicContact CG2-CG 4.5Å; T252-L256 WeakPolarHBondContact O-CD1 3.26Å; T252-L256 WeakPolarHBondContact O-CG 3.44Å
253	I	32.5	Very low	30.6	Very low	127 Å²	127	109.4 Å²	109.4	65%	0.651	55%	0.55	S	S	*	*	H	α-helix	trans	-68.6	-31.1	174.6	-70.6	167.6	0	0	0	111.7	Y249 K250	Y249-I253 HydrophobicContact CD1-CD1 4.29Å; Y249-I253 WeakPolarHBondContact O-CB 3.42Å; Y249-I253 VanDerWaalsContact O-CG1 3.28Å; Y249-I253 WeakPolarHBondContact O-CG1 3Å; Y249-I253 PolarHBondContact O-N 3.17Å; K250-I253 PolarHBondContact O-N 2.66Å
254	I	30.8	Very low	30.1	Very low	68 Å²	68	112.5 Å²	112.5	35%	0.349	57%	0.573	S	S	.	*	H	α-helix	trans	-69.8	-38.4	174.6	-71.4	163.4	0	0	0	112.3	E158 K250 T252	E158-I254 VanDerWaalsContact OE2-CD1 3.26Å; E158-I254 WeakPolarHBondContact OE2-CD1 3.16Å; E158-I254 WeakPolarHBondContact OE2-CG1 3.49Å; K250-I254 HydrophobicContact CG-CD1 3.99Å; K250-I254 WeakPolarHBondContact O-CD1 3.05Å; K250-I254 VanDerWaalsContact O-CG1 3.24Å; K250-I254 WeakPolarHBondContact O-CG1 3.37Å; K250-I254 PolarHBondContact O-N 3.25Å; T252-I254 VanDerWaalsContact C-N 3.32Å; T252-I254 PolarHBondContact O-N 2.9Å
255	N	27.8	Very low	29.6	Very low	116 Å²	116	113.4 Å²	113.4	62%	0.62	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.6	23.4	-170.3	-67.9	-56.8	0	0	0	114.6	N251 T252	N251-N255 WeakPolarHBondContact O-CB 3.41Å; N251-N255 PolarHBondContact O-N 3.01Å; N251-N255 VanDerWaalsContact O-N 3.12Å; N251-N255 PolarHBondContact O-ND2 2.87Å; T252-N255 PolarHBondContact O-N 2.88Å
256	L	27	Very low	29.2	Very low	91 Å²	91	122 Å²	122	48%	0.476	61%	0.614	S	S	.	*			trans	-118.1	39.1	-179.3	-71.3	176	0	0	0	114.7	T252 N317	T252-L256 HydrophobicContact CG2-CD1 3.77Å; T252-L256 HydrophobicContact CG2-CG 4.5Å; T252-L256 WeakPolarHBondContact O-CD1 3.26Å; T252-L256 WeakPolarHBondContact O-CG 3.44Å; L256-N317 WeakPolarHBondContact CD1-ND2 3.24Å; L256-N317 WeakPolarHBondContact CD1-OD1 3.34Å; L256-N317 WeakPolarHBondContact CD2-ND2 3.37Å
257	K	30.3	Very low	28.9	Very low	199 Å²	199	120.8 Å²	120.8	87%	0.865	62%	0.62	S	S	*	*			trans	-111.7	121.8	138.7	-68.6	-177.2	175.2	-174.2	0	105.3
258	P	29.2	Very low	28.7	Very low	116 Å²	116	122.6 Å²	122.6	75%	0.753	64%	0.637	S	S	*	*				-152.5	-158.2	74.5	40.8	-19.9	0	0	0	112.7
259	P	26.2	Very low	28.4	Very low	109 Å²	109	123.2 Å²	123.2	71%	0.708	65%	0.645	S	S	*	*			cis	-125.7	148.2	-46	26.1	-7.6	0	0	0	114.4
260	I	24.2	Very low	28.3	Very low	153 Å²	153	124.5 Å²	124.5	79%	0.785	66%	0.659	S	S	*	*			trans	28	115.7	131.6	-67	170.9	0	0	0	119.3
261	F	26.1	Very low	28.3	Very low	159 Å²	159	126.9 Å²	126.9	70%	0.697	68%	0.68	S	S	*	*			trans	58	131.1	146	-79.4	-118.9	0	0	0	121.4	Q263	F261-Q263 HydrophobicContact CD1-CG 4.06Å; F261-Q263 HydrophobicContact CE1-CG 4.21Å
262	N	25.4	Very low	28.5	Very low	169 Å²	169	128.6 Å²	128.6	90%	0.904	69%	0.693	S	S	*	*				-146.2	148.3	114.9	-117.6	-21.4	0	0	0	110.9
263	Q	25.9	Very low	28.6	Very low	144 Å²	144	132.5 Å²	132.5	67%	0.673	71%	0.713	S	S	*	*			trans	-109	141.4	-179.8	-65.7	173.1	-66.8	0	0	111	F261	F261-Q263 HydrophobicContact CD1-CG 4.06Å; F261-Q263 HydrophobicContact CE1-CG 4.21Å
264	T	26.2	Very low	28.7	Very low	142 Å²	142	132.1 Å²	132.1	87%	0.871	71%	0.712	S	S	*	*			trans	-142.7	108.4	152.9	35.9	0	0	0	0	110
265	T	25.6	Very low	28.8	Very low	108 Å²	108	134.4 Å²	134.4	66%	0.663	73%	0.729	S	S	*	*			trans	-115.9	122.2	176.3	49.6	0	0	0	0	110.4
266	Y	27.8	Very low	29.1	Very low	216 Å²	216	134.2 Å²	134.2	85%	0.847	73%	0.732	S	S	*	*			trans	-146.8	96.6	160.5	-79.9	-67.3	0	0	0	107.1
267	T	28.3	Very low	29.2	Very low	126 Å²	126	136.1 Å²	136.1	77%	0.773	75%	0.748	S	S	*	*				96.6	138.7	79.4	45.8	0	0	0	0	112.2
268	T	27.8	Very low	29.2	Very low	127 Å²	127	131.2 Å²	131.2	78%	0.779	74%	0.744	S	S	*	*			trans	-106.9	-160.9	-166	48.7	0	0	0	0	112.3
269	T	28.9	Very low	29	Very low	114 Å²	114	130.5 Å²	130.5	70%	0.699	74%	0.742	S	S	*	*			trans	91	141.4	169	75.1	0	0	0	0	116.4
270	N	30.4	Very low	28.9	Very low	135 Å²	135	130.4 Å²	130.4	72%	0.722	74%	0.744	S	S	*	*			cis	-163.2	-172.7	-11.9	-109.8	-3.9	0	0	0	111
271	T	32.3	Very low	29	Very low	126 Å²	126	130.7 Å²	130.7	77%	0.773	74%	0.744	S	S	*	*			trans	81	139.5	160.9	71.2	0	0	0	0	117.4
272	T	34.3	Very low	29	Very low	108 Å²	108	130.3 Å²	130.3	66%	0.663	74%	0.744	S	S	*	*			cis	-164.6	148.4	-8.9	17.3	0	0	0	0	110.5
273	D	34.4	Very low	29	Very low	130 Å²	130	132.1 Å²	132.1	70%	0.695	74%	0.74	S	S	*	*			trans	61.8	150.7	136.1	-63	12.5	0	0	0	121.9
274	N	34.7	Very low	29.1	Very low	119 Å²	119	131.1 Å²	131.1	64%	0.636	74%	0.744	S	S	*	*			cis	-163.7	154.4	-10.2	-118.3	-34.6	0	0	0	112.8
275	T	33.1	Very low	29.2	Very low	116 Å²	116	132.5 Å²	132.5	71%	0.712	74%	0.741	S	S	*	*			trans	57.1	149.7	147.9	60.1	0	0	0	0	121.8
276	T	32.3	Very low	29.4	Very low	112 Å²	112	135.6 Å²	135.6	69%	0.687	75%	0.747	S	S	*	*			cis	-166.4	150.5	-15.1	21.7	0	0	0	0	109.9
277	T	30.8	Very low	29.5	Very low	130 Å²	130	132 Å²	132	80%	0.798	74%	0.743	S	S	*	*			trans	41	129.8	150.2	60.5	0	0	0	0	120.6
278	A	29.3	Very low	29.5	Very low	96 Å²	96	131.1 Å²	131.1	79%	0.793	74%	0.739	S	S	*	*			cis	-169.1	-162.5	-2.1	0	0	0	0	0	106.8
279	S	25.9	Very low	29.5	Very low	102 Å²	102	132.4 Å²	132.4	71%	0.713	74%	0.74	S	S	*	*			cis	-160.7	178.6	6.6	69	0	0	0	0	111.6
280	S	24.3	Very low	29.5	Very low	107 Å²	107	133.7 Å²	133.7	75%	0.748	74%	0.742	S	S	*	*			trans	74.8	147.4	167.5	78.4	0	0	0	0	119
281	M	26.5	Very low	29.3	Very low	159 Å²	159	133.1 Å²	133.1	78%	0.783	74%	0.739	S	S	*	*			trans	73.2	104.1	172.4	-53.7	-165	78.2	0	0	120
282	E	25.1	Very low	29.2	Very low	150 Å²	150	135.2 Å²	135.2	70%	0.701	75%	0.745	S	S	*	*			trans	64.7	106.4	130.7	-58.5	-168.7	124.1	0	0	123.7
283	Y	26.4	Very low	28.9	Very low	208 Å²	208	135.9 Å²	135.9	82%	0.816	74%	0.741	S	S	*	*			trans	71.3	152.2	131.8	-82.8	-77	0	0	0	123.3
284	T	27.5	Very low	28.4	Very low	122 Å²	122	138.9 Å²	138.9	75%	0.748	75%	0.748	S	S	*	*			trans	64	154.4	173.2	67.2	0	0	0	0	116.5
285	E	28.3	Very low	28	Very low	172 Å²	172	138.4 Å²	138.4	80%	0.804	75%	0.75	S	S	*	*			cis	-148.5	-145	0.4	-141.7	163.3	-144.3	0	0	112.7
286	H	30.1	Very low	27.5	Very low	172 Å²	172	138.4 Å²	138.4	80%	0.796	74%	0.74	S	S	*	*			trans	98.6	138.2	-178.1	-64	-80.2	0	0	0	116.3
287	D	29.9	Very low	27.1	Very low	141 Å²	141	137.6 Å²	137.6	75%	0.754	73%	0.732	S	S	*	*			cis	-145.9	156.2	8.7	-139.1	22.8	0	0	0	113
288	P	28.3	Very low	26.8	Very low	107 Å²	107	137.7 Å²	137.7	70%	0.695	72%	0.717	S	S	*	*			trans	-113.6	142.7	-167.8	39.4	-30.6	0	0	0	117.1
289	L	27.9	Very low	26.6	Very low	155 Å²	155	138 Å²	138	81%	0.812	71%	0.706	S	S	*	*			trans	-144.5	150.7	157.8	-68.4	173.6	0	0	0	107.4
290	L	28.7	Very low	26.6	Very low	141 Å²	141	137.8 Å²	137.8	74%	0.738	70%	0.696	S	S	*	*			cis	-146.1	146.3	-0.4	-135.1	156.4	0	0	0	108.7
291	N	26.2	Very low	26.7	Very low	122 Å²	122	139.1 Å²	139.1	65%	0.652	69%	0.694	S	S	*	*			trans	-85.4	156.8	170.8	-78.5	-25.9	0	0	0	111.2
292	D	30.3	Very low	26.6	Very low	170 Å²	170	141.6 Å²	141.6	91%	0.909	70%	0.697	S	S	*	*			trans	-152.4	131.4	142.4	-113.5	-22.5	0	0	0	109.2
293	E	26.6	Very low	26.7	Very low	122 Å²	122	142 Å²	142	57%	0.57	70%	0.703	S	S	*	*			trans	-93.4	160.6	-171.1	-63.5	-170.2	105.5	0	0	113.3
294	F	25.4	Very low	26.8	Very low	194 Å²	194	142.5 Å²	142.5	85%	0.851	71%	0.705	S	S	*	*			trans	-151.3	86.4	144.2	-113.7	-72.1	0	0	0	110.1	F296	F294-F296 HydrophobicContact CD1-CD2 4.42Å; F294-F296 HydrophobicContact CD1-CE2 4.32Å; F294-F296 HydrophobicContact CE1-CE2 4.43Å
295	T	24.6	Very low	26.7	Very low	109 Å²	109	143.6 Å²	143.6	67%	0.669	71%	0.707	S	S	*	*			trans	-77.3	141.4	169.3	46.3	0	0	0	0	110
296	F	23.7	Very low	26.6	Very low	116 Å²	116	142 Å²	142	51%	0.509	70%	0.703	S	S	.	*			trans	-132	103	169.8	-112.9	-81.8	0	0	0	108.6	F294	F294-F296 HydrophobicContact CD1-CD2 4.42Å; F294-F296 HydrophobicContact CD1-CE2 4.32Å; F294-F296 HydrophobicContact CE1-CE2 4.43Å
297	N	24.2	Very low	26.4	Very low	94 Å²	94	139.8 Å²	139.8	50%	0.503	70%	0.697	S	S	.	*			trans	-80.6	144.1	-179.2	-158.7	-1.2	0	0	0	110.3	Y512	N297-Y512 PolarHBondContact ND2-OH 3.18Å; N297-Y512 VanDerWaalsContact ND2-OH 3.07Å
298	W	25	Very low	26.1	Very low	132 Å²	132	140.3 Å²	140.3	50%	0.5	70%	0.695	S	S	.	*			trans	-135.9	58.5	178.6	-95.6	72.6	0	0	0	110.8	I300 M322 I325	W298-I300 HydrophobicContact CD2-CD1 4.46Å; W298-I300 HydrophobicContact CE3-CD1 3.62Å; W298-I300 HydrophobicContact CE3-CG1 4.12Å; W298-I300 HydrophobicContact CH2-CD1 4.04Å; W298-I300 HydrophobicContact CZ3-CD1 3.38Å; W298-I300 HydrophobicContact CZ3-CG1 4.37Å; W298-M322 HydrophobicContact CH2-SD 3.99Å; W298-M322 HydrophobicContact CZ2-SD 4.45Å; W298-I325 HydrophobicContact CH2-CD1 4.3Å; W298-I325 HydrophobicContact CZ2-CD1 4.2Å
299	N	24	Very low	25.9	Very low	103 Å²	103	140.5 Å²	140.5	55%	0.551	69%	0.694	S	S	*	*			trans	-75	127.3	146	-73.3	1.5	0	0	0	107.3
300	I	26.1	Very low	25.7	Very low	97 Å²	97	140 Å²	140	50%	0.497	69%	0.691	S	S	.	*			trans	-129.3	92.4	159.3	-61.6	-174.7	0	0	0	105.8	W298 Y302	W298-I300 HydrophobicContact CD2-CD1 4.46Å; W298-I300 HydrophobicContact CE3-CD1 3.62Å; W298-I300 HydrophobicContact CE3-CG1 4.12Å; W298-I300 HydrophobicContact CH2-CD1 4.04Å; W298-I300 HydrophobicContact CZ3-CD1 3.38Å; W298-I300 HydrophobicContact CZ3-CG1 4.37Å; I300-Y302 HydrophobicContact CG2-CD2 3.92Å; I300-Y302 HydrophobicContact CG2-CE2 3.71Å
301	D	25.1	Very low	25.5	Very low	135 Å²	135	139.4 Å²	139.4	72%	0.722	69%	0.688	S	S	*	*			trans	-70.2	145.9	163	-61	-65.6	0	0	0	108.9
302	Y	25.6	Very low	25.5	Very low	212 Å²	212	139.6 Å²	139.6	83%	0.831	69%	0.69	S	S	*	*			trans	-118.1	83	173.7	-94.4	-90.1	0	0	0	108.1	I300	I300-Y302 HydrophobicContact CG2-CD2 3.92Å; I300-Y302 HydrophobicContact CG2-CE2 3.71Å
303	D	26.9	Very low	25.3	Very low	158 Å²	158	137.8 Å²	137.8	85%	0.845	68%	0.68	S	S	*	*			trans	-87.5	154.9	162.9	-101.4	-37.1	0	0	0	110.5
304	Y	28.5	Very low	25.3	Very low	218 Å²	218	138.4 Å²	138.4	86%	0.855	69%	0.687	S	S	*	*			trans	-149.4	89.1	179.6	-136.3	-78.2	0	0	0	110.6
305	D	26.3	Very low	25.4	Very low	146 Å²	146	136 Å²	136	78%	0.781	68%	0.683	S	S	*	*			trans	-157.1	156.1	141.3	-125.5	-26.7	0	0	0	112.9
306	L	25.4	Very low	25.5	Very low	137 Å²	137	137.3 Å²	137.3	72%	0.717	69%	0.686	S	S	*	*			trans	58.7	94	174.5	-84.4	73	0	0	0	120
307	D	25	Very low	25.8	Very low	127 Å²	127	136.1 Å²	136.1	68%	0.679	69%	0.685	S	S	*	*				63.6	127.3	108.1	-82.3	-51.1	0	0	0	124.5
308	Q	25.3	Very low	26.1	Very low	152 Å²	152	137.4 Å²	137.4	71%	0.71	69%	0.692	S	S	*	*			trans	79.6	102	131.3	-70.3	170.3	55.4	0	0	123.1
309	T	24.1	Very low	26.4	Very low	111 Å²	111	136.1 Å²	136.1	68%	0.681	70%	0.695	S	S	*	*				88.3	103.6	125.2	56.6	0	0	0	0	123.5
310	I	22.4	Very low	27	Very low	144 Å²	144	133.5 Å²	133.5	74%	0.738	68%	0.681	S	S	*	*				86.5	130.9	118.7	-68.9	169.1	0	0	0	121.1
311	N	25.3	Very low	27.3	Very low	128 Å²	128	133.2 Å²	133.2	68%	0.684	68%	0.679	S	S	*	*			trans	83.9	108.8	157	-75.5	-19.9	0	0	0	122.8
312	N	25.7	Very low	27.7	Very low	127 Å²	127	130.8 Å²	130.8	68%	0.679	67%	0.665	S	S	*	*				61.7	132.2	122.5	-53.9	-17.3	0	0	0	119.8
313	N	26.4	Very low	28.2	Very low	131 Å²	131	124.3 Å²	124.3	70%	0.701	64%	0.644	S	S	*	*			cis	-167	161.6	25.5	-109.9	-20.1	0	0	0	112.5
314	N	26.4	Very low	28.6	Very low	136 Å²	136	120.8 Å²	120.8	73%	0.727	62%	0.623	S	S	*	*			trans	66.4	142.6	164.3	-56	-19.3	0	0	0	117.1
315	N	27.2	Very low	28.9	Very low	142 Å²	142	112.8 Å²	112.8	76%	0.759	59%	0.594	S	S	*	*			cis	-145	159	-3.5	-113.9	-26.9	0	0	0	111.1
316	N	27.5	Very low	29.3	Very low	138 Å²	138	109 Å²	109	74%	0.738	57%	0.574	S	S	*	*			trans	-80.2	141.8	-161.7	-64.5	-62.5	0	0	0	116.3
317	N	28.9	Very low	29.8	Very low	91 Å²	91	105.3 Å²	105.3	49%	0.487	55%	0.553	S	S	.	*			trans	-167.7	-27.9	146.7	-109	-24	0	0	0	116.3	L256 N319	L256-N317 WeakPolarHBondContact CD1-ND2 3.24Å; L256-N317 WeakPolarHBondContact CD1-OD1 3.34Å; L256-N317 WeakPolarHBondContact CD2-ND2 3.37Å; N317-N319 VanDerWaalsContact C-N 3.35Å; N317-N319 PolarHBondContact O-N 2.96Å
318	N	31.9	Very low	30.2	Very low	120 Å²	120	106.8 Å²	106.8	64%	0.642	55%	0.55	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.2	-5.2	-161	-72.6	-16.5	0	0	0	117.4	N320	N318-N320 VanDerWaalsContact C-N 3.33Å; N318-N320 PolarHBondContact O-N 2.98Å
319	N	30.4	Very low	30.7	Very low	106 Å²	106	102.8 Å²	102.8	57%	0.567	53%	0.529	S	S	*	.	H	α-helix	trans	-68	-28.4	-170.8	-62.5	8.3	0	0	0	113.8	N317 I321 M322 D323	N317-N319 VanDerWaalsContact C-N 3.35Å; N317-N319 PolarHBondContact O-N 2.96Å; N319-I321 VanDerWaalsContact C-N 3.32Å; N319-I321 PolarHBondContact O-N 3.3Å; N319-M322 PolarHBondContact O-N 2.77Å; N319-D323 WeakPolarHBondContact O-CB 3.4Å; N319-D323 PolarHBondContact O-N 3.42Å
320	N	36.6	Very low	31	Very low	48 Å²	48	103 Å²	103	26%	0.257	52%	0.522	S	S	.	.	H	α-helix	trans	-60.9	-34.7	-170.3	-119.3	-34.8	0	0	0	114.1	N318 H324	N318-N320 VanDerWaalsContact C-N 3.33Å; N318-N320 PolarHBondContact O-N 2.98Å; N320-H324 WeakPolarHBondContact O-CB 3.35Å; N320-H324 PolarHBondContact O-CD2 3.43Å; N320-H324 VanDerWaalsContact O-CD2 3.27Å; N320-H324 PolarHBondContact O-N 3.27Å; N320-H324 VanDerWaalsContact O-N 3.07Å
321	I	32.3	Very low	31.5	Very low	91 Å²	91	100.2 Å²	100.2	47%	0.467	51%	0.509	S	S	.	.	H	α-helix	trans	-76.3	-46.2	-179.3	-67.5	176.4	0	0	0	110.6	N319 D323 H324 I325	N319-I321 VanDerWaalsContact C-N 3.32Å; N319-I321 PolarHBondContact O-N 3.3Å; I321-D323 VanDerWaalsContact C-N 3.34Å; I321-D323 PolarHBondContact O-N 2.93Å; I321-H324 WeakPolarHBondContact O-CB 3.4Å; I321-H324 PolarHBondContact O-N 2.81Å; I321-I325 HydrophobicContact CG2-CD1 3.79Å; I321-I325 WeakPolarHBondContact O-CB 3.48Å; I321-I325 VanDerWaalsContact O-CG1 3.3Å; I321-I325 WeakPolarHBondContact O-CG1 3.47Å; I321-I325 PolarHBondContact O-N 3.41Å
322	M	33.3	Very low	31.8	Very low	84 Å²	84	101.1 Å²	101.1	41%	0.414	50%	0.502	S	S	.	.	H	α-helix	trans	-68.1	-35.7	179.4	-161.1	62.1	176.5	0	0	111.5	W298 N319 I325 N326	W298-M322 HydrophobicContact CH2-SD 3.99Å; W298-M322 HydrophobicContact CZ2-SD 4.45Å; N319-M322 PolarHBondContact O-N 2.77Å; M322-I325 PolarHBondContact O-N 3.37Å; M322-I325 HydrophobicContact SD-CG2 4.47Å; M322-N326 VanDerWaalsContact O-CB 3.28Å; M322-N326 WeakPolarHBondContact O-CB 3.49Å; M322-N326 VanDerWaalsContact O-CG 3.26Å; M322-N326 PolarHBondContact O-N 3.25Å; M322-N326 PolarHBondContact O-ND2 3.39Å
323	D	36.3	Very low	32.1	Very low	75 Å²	75	102.5 Å²	102.5	40%	0.401	51%	0.505	S	S	.	.	H	α-helix	trans	-65.1	-39.6	171.1	-74.2	-19.2	0	0	0	112.1	N319 I321 I325 Q327	N319-D323 WeakPolarHBondContact O-CB 3.4Å; N319-D323 PolarHBondContact O-N 3.42Å; I321-D323 VanDerWaalsContact C-N 3.34Å; I321-D323 PolarHBondContact O-N 2.93Å; D323-I325 VanDerWaalsContact C-N 3.33Å; D323-I325 PolarHBondContact O-N 2.82Å; D323-Q327 WeakPolarHBondContact O-CB 3.47Å; D323-Q327 WeakPolarHBondContact O-CG 3.24Å; D323-Q327 PolarHBondContact O-N 3.12Å; D323-Q327 PolarHBondContact O-OE1 3.33Å
324	H	35.5	Very low	32.5	Very low	85 Å²	85	103.3 Å²	103.3	39%	0.394	50%	0.504	S	S	.	.	H	α-helix	trans	-62.5	-39.9	173	-102.4	-98.3	0	0	0	112.6	K245 N320 I321 Y328	K245-H324 WeakPolarHBondContact CD-NE2 3.42Å; K245-H324 WeakPolarHBondContact CE-NE2 3.43Å; K245-H324 PolarHBondContact NZ-CD2 3.05Å; K245-H324 PolarHBondContact NZ-CE1 2.85Å; K245-H324 PolarHBondContact NZ-NE2 3.33Å; N320-H324 WeakPolarHBondContact O-CB 3.35Å; N320-H324 PolarHBondContact O-CD2 3.43Å; N320-H324 VanDerWaalsContact O-CD2 3.27Å; N320-H324 PolarHBondContact O-N 3.27Å; N320-H324 VanDerWaalsContact O-N 3.07Å; I321-H324 WeakPolarHBondContact O-CB 3.4Å; I321-H324 PolarHBondContact O-N 2.81Å; H324-Y328 WeakPolarHBondContact O-CB 3.48Å; H324-Y328 PolarHBondContact O-N 3.39Å
325	I	34.7	Very low	32.9	Very low	50 Å²	50	104.1 Å²	104.1	26%	0.256	50%	0.498	S	S	.	.	H	α-helix	trans	-69.5	-47	178.1	-72.3	170.2	0	0	0	110.4	W298 I321 M322 D323 Y328 Y329	W298-I325 HydrophobicContact CH2-CD1 4.3Å; W298-I325 HydrophobicContact CZ2-CD1 4.2Å; I321-I325 HydrophobicContact CG2-CD1 3.79Å; I321-I325 WeakPolarHBondContact O-CB 3.48Å; I321-I325 VanDerWaalsContact O-CG1 3.3Å; I321-I325 WeakPolarHBondContact O-CG1 3.47Å; I321-I325 PolarHBondContact O-N 3.41Å; M322-I325 PolarHBondContact O-N 3.37Å; M322-I325 HydrophobicContact SD-CG2 4.47Å; D323-I325 VanDerWaalsContact C-N 3.33Å; D323-I325 PolarHBondContact O-N 2.82Å; I325-Y328 WeakPolarHBondContact O-CB 3.34Å; I325-Y328 PolarHBondContact O-N 2.8Å; I325-Y329 HydrophobicContact CG2-CD2 3.67Å; I325-Y329 HydrophobicContact CG2-CE2 3.35Å; I325-Y329 WeakPolarHBondContact O-CD2 3.49Å; I325-Y329 PolarHBondContact O-N 2.67Å
326	N	35.8	Very low	33.4	Very low	67 Å²	67	100.8 Å²	100.8	36%	0.358	48%	0.479	S	S	.	.	H	α-helix	trans	-65.5	-45.4	178.4	-73.3	-18.4	0	0	0	111.6	M322 Y328 Y329 E330	M322-N326 VanDerWaalsContact O-CB 3.28Å; M322-N326 WeakPolarHBondContact O-CB 3.49Å; M322-N326 VanDerWaalsContact O-CG 3.26Å; M322-N326 PolarHBondContact O-N 3.25Å; M322-N326 PolarHBondContact O-ND2 3.39Å; N326-Y328 VanDerWaalsContact C-N 3.28Å; N326-Y328 PolarHBondContact O-N 3.14Å; N326-Y329 CarbonylContact O-C 3.58Å; N326-Y329 WeakPolarHBondContact O-CA 3.33Å; N326-Y329 PolarHBondContact O-N 2.98Å; N326-E330 PolarHBondContact O-N 3.38Å
327	Q	34.1	Very low	34.1	Very low	59 Å²	59	97.5 Å²	97.5	28%	0.276	46%	0.464	S	S	.	.	H	α-helix	trans	-62.3	-35.6	173.9	-71.6	164	-10.7	0	0	111.6	Y241 D323 Y329 L331	Y241-Q327 PolarHBondContact OH-OE1 2.76Å; D323-Q327 WeakPolarHBondContact O-CB 3.47Å; D323-Q327 WeakPolarHBondContact O-CG 3.24Å; D323-Q327 PolarHBondContact O-N 3.12Å; D323-Q327 PolarHBondContact O-OE1 3.33Å; Q327-Y329 VanDerWaalsContact C-N 3.33Å; Q327-L331 WeakPolarHBondContact O-CB 3.4Å; Q327-L331 WeakPolarHBondContact O-CD1 3.28Å; Q327-L331 WeakPolarHBondContact O-CG 3.13Å; Q327-L331 PolarHBondContact O-N 3.32Å
328	Y	33.9	Very low	34.6	Very low	157 Å²	157	98.5 Å²	98.5	62%	0.616	47%	0.466	S	S	*	.	H	α-helix	trans	-66.2	-33.5	171.9	-177.8	-97.4	0	0	0	112.5	H324 I325 N326 R332	H324-Y328 WeakPolarHBondContact O-CB 3.48Å; H324-Y328 PolarHBondContact O-N 3.39Å; I325-Y328 WeakPolarHBondContact O-CB 3.34Å; I325-Y328 PolarHBondContact O-N 2.8Å; N326-Y328 VanDerWaalsContact C-N 3.28Å; N326-Y328 PolarHBondContact O-N 3.14Å; Y328-R332 WeakPolarHBondContact O-CB 3.32Å; Y328-R332 PolarHBondContact O-N 2.79Å
329	Y	35.3	Very low	35.1	Very low	69 Å²	69	100 Å²	100	27%	0.271	47%	0.469	S	S	.	.	H	α-helix	trans	-77.9	-37.8	174.6	-73.5	-53.5	0	0	0	113.8	I325 N326 Q327 R332 Q333 H489	I325-Y329 HydrophobicContact CG2-CD2 3.67Å; I325-Y329 HydrophobicContact CG2-CE2 3.35Å; I325-Y329 WeakPolarHBondContact O-CD2 3.49Å; I325-Y329 PolarHBondContact O-N 2.67Å; N326-Y329 CarbonylContact O-C 3.58Å; N326-Y329 WeakPolarHBondContact O-CA 3.33Å; N326-Y329 PolarHBondContact O-N 2.98Å; Q327-Y329 VanDerWaalsContact C-N 3.33Å; Y329-R332 CarbonylContact O-C 3.47Å; Y329-R332 WeakPolarHBondContact O-CA 3.01Å; Y329-R332 WeakPolarHBondContact O-CB 3.41Å; Y329-R332 PolarHBondContact O-N 2.77Å; Y329-Q333 PolarHBondContact O-N 2.97Å; Y329-H489 AromaticContact CE1-CE1 3.95Å; Y329-H489 AromaticContact CE1-NE2 3.19Å; Y329-H489 WeakPolarHBondContact CE1-NE2 3.32Å; Y329-H489 AromaticContact CE2-NE2 3.71Å; Y329-H489 AromaticContact CZ-NE2 2.75Å; Y329-H489 PolarHBondContact OH-NE2 3.07Å
330	E	32	Very low	35.7	Very low	114 Å²	114	98.7 Å²	98.7	53%	0.533	46%	0.462	S	S	.	.	H	α-helix	trans	-62.8	-45.7	172.2	-72	-173.9	135	0	0	110.9	N326 R332 Q333 H334	N326-E330 PolarHBondContact O-N 3.38Å; E330-R332 PolarHBondContact O-N 3.27Å; E330-Q333 PolarHBondContact O-N 2.79Å; E330-H334 PolarHBondContact O-N 3.03Å; E330-H334 PolarHBondContact O-ND1 3.28Å
331	L	32.4	Very low	36	Very low	87 Å²	87	100 Å²	100	46%	0.455	47%	0.469	S	S	.	.	H	α-helix	trans	-66	1.5	169.4	-66.6	170.9	0	0	0	113.3	Q327 Y335	Q327-L331 WeakPolarHBondContact O-CB 3.4Å; Q327-L331 WeakPolarHBondContact O-CD1 3.28Å; Q327-L331 WeakPolarHBondContact O-CG 3.13Å; Q327-L331 PolarHBondContact O-N 3.32Å; L331-Y335 HydrophobicContact CB-CE2 4.27Å; L331-Y335 HydrophobicContact CD2-CE2 4.01Å; L331-Y335 WeakPolarHBondContact O-CD2 3.49Å; L331-Y335 VanDerWaalsContact O-CE2 3.23Å; L331-Y335 WeakPolarHBondContact O-CE2 3.49Å
332	R	32	Very low	36.6	Very low	146 Å²	146	100.4 Å²	100.4	55%	0.551	47%	0.469	S	S	*	.	H	α-helix	trans	-105.3	-16.1	170.7	-148.7	176.9	-172.5	-144.9	5.3	113.3	Y328 Y329 E330	Y328-R332 WeakPolarHBondContact O-CB 3.32Å; Y328-R332 PolarHBondContact O-N 2.79Å; Y329-R332 CarbonylContact O-C 3.47Å; Y329-R332 WeakPolarHBondContact O-CA 3.01Å; Y329-R332 WeakPolarHBondContact O-CB 3.41Å; Y329-R332 PolarHBondContact O-N 2.77Å; E330-R332 PolarHBondContact O-N 3.27Å
333	Q	31	Very low	37.2	Very low	157 Å²	157	100.7 Å²	100.7	73%	0.734	48%	0.475	S	S	*	.	H	α-helix	trans	-90.7	-36.7	177.3	-63.5	-168.3	39.6	0	0	112.4	Y329 E330 Y335	Y329-Q333 PolarHBondContact O-N 2.97Å; E330-Q333 PolarHBondContact O-N 2.79Å; Q333-Y335 PolarHBondContact O-N 3.3Å
334	H	34.3	Very low	37.4	Very low	147 Å²	147	99.9 Å²	99.9	68%	0.681	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82	10.3	-167.3	-71.1	86.3	0	0	0	117.2	E330	E330-H334 PolarHBondContact O-N 3.03Å; E330-H334 PolarHBondContact O-ND1 3.28Å
335	Y	35.3	Very low	37.9	Very low	154 Å²	154	100.1 Å²	100.1	60%	0.604	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.5	16.5	-166	-78	-84	0	0	0	116.9	L331 Q333	L331-Y335 HydrophobicContact CB-CE2 4.27Å; L331-Y335 HydrophobicContact CD2-CE2 4.01Å; L331-Y335 WeakPolarHBondContact O-CD2 3.49Å; L331-Y335 VanDerWaalsContact O-CE2 3.23Å; L331-Y335 WeakPolarHBondContact O-CE2 3.49Å; Q333-Y335 PolarHBondContact O-N 3.3Å
336	I	37.3	Very low	38.6	Very low	71 Å²	71	105.1 Å²	105.1	36%	0.364	49%	0.491	S	S	.	.	S	Bend	trans	-141.9	115	163.9	-51.8	179.9	0	0	0	107	D340 L341	I336-D340 HydrophobicContact CG2-CB 3.64Å; I336-L341 HydrophobicContact CG2-CD2 3.92Å; I336-L341 HydrophobicContact CG2-CG 3.77Å
337	T	42	Very low	38.9	Very low	70 Å²	70	106.7 Å²	106.7	43%	0.429	49%	0.492	S	S	.	.			trans	-73.9	164.6	174.8	63.4	0	0	0	0	111.2	E339 D340 L341	T337-E339 PolarHBondContact O-N 3.17Å; T337-E339 PolarHBondContact OG1-N 2.94Å; T337-D340 WeakPolarHBondContact CB-OD2 3.11Å; T337-D340 PolarHBondContact N-OD2 3.22Å; T337-D340 PolarHBondContact O-N 2.88Å; T337-D340 VanDerWaalsContact O-N 3.17Å; T337-D340 PolarHBondContact OG1-N 3.09Å; T337-D340 PolarHBondContact OG1-OD2 3.4Å; T337-L341 PolarHBondContact O-N 3.11Å; T337-L341 VanDerWaalsContact O-N 3.1Å
338	E	39.7	Very low	39.3	Very low	112 Å²	112	106.9 Å²	106.9	52%	0.523	49%	0.491	S	S	.	.	H	α-helix	trans	-60.9	-34.7	170	-147.7	-138.7	135	0	0	110.8	D340 L341 Q342	E338-D340 PolarHBondContact O-N 3.39Å; E338-L341 PolarHBondContact O-N 3.46Å; E338-Q342 WeakPolarHBondContact O-CB 3.33Å; E338-Q342 WeakPolarHBondContact O-CG 3.4Å; E338-Q342 PolarHBondContact O-N 3.11Å; E338-Q342 PolarHBondContact OE1-NE2 3.38Å
339	E	42.7	Very low	39.9	Very low	151 Å²	151	101.7 Å²	101.7	71%	0.706	47%	0.474	S	S	*	.	H	α-helix	trans	-62.8	-39.6	173.6	-58.9	-167.3	122.5	0	0	112.5	T337 Q342 V343	T337-E339 PolarHBondContact O-N 3.17Å; T337-E339 PolarHBondContact OG1-N 2.94Å; E339-Q342 PolarHBondContact O-N 2.75Å; E339-V343 WeakPolarHBondContact O-CB 3.21Å; E339-V343 VanDerWaalsContact O-CG2 3.24Å; E339-V343 WeakPolarHBondContact O-CG2 3.29Å; E339-V343 PolarHBondContact O-N 2.71Å
340	D	43.2	Very low	40.4	Very low	79 Å²	79	104.5 Å²	104.5	42%	0.422	49%	0.487	S	S	.	.	H	α-helix	trans	-64.4	-42.6	174.7	-70.1	-62.3	0	0	0	111.5	I336 T337 E338 V343 V344	I336-D340 HydrophobicContact CG2-CB 3.64Å; T337-D340 WeakPolarHBondContact CB-OD2 3.11Å; T337-D340 PolarHBondContact N-OD2 3.22Å; T337-D340 PolarHBondContact O-N 2.88Å; T337-D340 VanDerWaalsContact O-N 3.17Å; T337-D340 PolarHBondContact OG1-N 3.09Å; T337-D340 PolarHBondContact OG1-OD2 3.4Å; E338-D340 PolarHBondContact O-N 3.39Å; D340-V343 PolarHBondContact O-N 2.93Å; D340-V344 WeakPolarHBondContact O-CB 3.32Å; D340-V344 WeakPolarHBondContact O-CG2 3.49Å; D340-V344 PolarHBondContact O-N 3.32Å
341	L	42.6	Very low	40.9	Very low	76 Å²	76	105 Å²	105	40%	0.398	49%	0.488	S	S	.	.	H	α-helix	trans	-62.5	-47.1	173.6	-72.9	176.3	0	0	0	111	I336 T337 E338 V343 V344 Y345	I336-L341 HydrophobicContact CG2-CD2 3.92Å; I336-L341 HydrophobicContact CG2-CG 3.77Å; T337-L341 PolarHBondContact O-N 3.11Å; T337-L341 VanDerWaalsContact O-N 3.1Å; E338-L341 PolarHBondContact O-N 3.46Å; L341-V343 VanDerWaalsContact C-N 3.33Å; L341-V343 PolarHBondContact O-N 3.39Å; L341-V344 PolarHBondContact O-N 3.28Å; L341-Y345 WeakPolarHBondContact O-CB 3.26Å; L341-Y345 PolarHBondContact O-N 3.14Å
342	Q	45.7	Very low	41.4	Very low	98 Å²	98	103.8 Å²	103.8	46%	0.458	48%	0.478	S	S	.	.	H	α-helix	trans	-61.8	-39.4	175.9	-73.4	-171.1	28.4	0	0	111.6	E338 E339 K346	E338-Q342 WeakPolarHBondContact O-CB 3.33Å; E338-Q342 WeakPolarHBondContact O-CG 3.4Å; E338-Q342 PolarHBondContact O-N 3.11Å; E338-Q342 PolarHBondContact OE1-NE2 3.38Å; E339-Q342 PolarHBondContact O-N 2.75Å; Q342-K346 WeakPolarHBondContact O-CB 3.36Å; Q342-K346 PolarHBondContact O-N 2.84Å
343	V	44.9	Very low	42.1	Very low	91 Å²	91	102.9 Å²	102.9	55%	0.552	48%	0.48	S	S	*	.	H	α-helix	trans	-64.7	-49	175.8	164.6	0	0	0	0	110.6	E339 D340 L341 K346 Y347	E339-V343 WeakPolarHBondContact O-CB 3.21Å; E339-V343 VanDerWaalsContact O-CG2 3.24Å; E339-V343 WeakPolarHBondContact O-CG2 3.29Å; E339-V343 PolarHBondContact O-N 2.71Å; D340-V343 PolarHBondContact O-N 2.93Å; L341-V343 VanDerWaalsContact C-N 3.33Å; L341-V343 PolarHBondContact O-N 3.39Å; V343-K346 PolarHBondContact O-N 2.72Å; V343-Y347 VanDerWaalsContact O-CB 3.27Å; V343-Y347 WeakPolarHBondContact O-CB 3.29Å; V343-Y347 PolarHBondContact O-N 3.41Å
344	V	42	Very low	42.6	Very low	57 Å²	57	97.8 Å²	97.8	35%	0.345	46%	0.458	S	S	.	.	H	α-helix	trans	-61.6	-45.6	177.2	171.1	0	0	0	0	110.8	D340 L341 Y347 Y348 A401	D340-V344 WeakPolarHBondContact O-CB 3.32Å; D340-V344 WeakPolarHBondContact O-CG2 3.49Å; D340-V344 PolarHBondContact O-N 3.32Å; L341-V344 PolarHBondContact O-N 3.28Å; V344-Y347 PolarHBondContact O-N 2.94Å; V344-Y348 WeakPolarHBondContact O-CB 3.48Å; V344-Y348 PolarHBondContact O-N 2.84Å; V344-A401 HydrophobicContact CG1-CB 3.95Å
345	Y	45.5	Very low	42.9	Very low	91 Å²	91	96.6 Å²	96.6	36%	0.357	45%	0.45	S	S	.	.	H	α-helix	trans	-63.2	-47.8	178.4	-178.7	-114.5	0	0	0	112.2	L341 Y347 Y348 N349	L341-Y345 WeakPolarHBondContact O-CB 3.26Å; L341-Y345 PolarHBondContact O-N 3.14Å; Y345-Y347 VanDerWaalsContact C-N 3.26Å; Y345-Y347 PolarHBondContact O-N 3.13Å; Y345-Y348 PolarHBondContact O-N 3.39Å; Y345-N349 WeakPolarHBondContact CE1-ND2 3.41Å; Y345-N349 WeakPolarHBondContact CE2-ND2 3.34Å; Y345-N349 WeakPolarHBondContact O-CB 3.29Å; Y345-N349 PolarHBondContact O-N 2.74Å; Y345-N349 PolarHBondContact OH-ND2 2.6Å
346	K	48.6	Very low	43.2	Very low	155 Å²	155	93 Å²	93	67%	0.674	44%	0.442	S	S	*	.	H	α-helix	trans	-63.3	-32.2	175.9	-166.2	172.1	-164.7	166.4	0	111.4	Q342 V343 K350	Q342-K346 WeakPolarHBondContact O-CB 3.36Å; Q342-K346 PolarHBondContact O-N 2.84Å; V343-K346 PolarHBondContact O-N 2.72Å; K346-K350 WeakPolarHBondContact O-CB 3.37Å; K346-K350 PolarHBondContact O-N 3.28Å
347	Y	42.3	Very low	43.2	Very low	100 Å²	100	91.2 Å²	91.2	39%	0.392	44%	0.435	S	S	.	.	H	α-helix	trans	-72.4	-44.7	172.9	-146.8	-87.3	0	0	0	112.5	V343 V344 Y345 K350 F351 L374 I379	V343-Y347 VanDerWaalsContact O-CB 3.27Å; V343-Y347 WeakPolarHBondContact O-CB 3.29Å; V343-Y347 PolarHBondContact O-N 3.41Å; V344-Y347 PolarHBondContact O-N 2.94Å; Y345-Y347 VanDerWaalsContact C-N 3.26Å; Y345-Y347 PolarHBondContact O-N 3.13Å; Y347-K350 PolarHBondContact O-N 3.49Å; Y347-F351 WeakPolarHBondContact O-CB 3.39Å; Y347-F351 PolarHBondContact O-N 2.8Å; Y347-L374 HydrophobicContact CE2-CD2 4.13Å; Y347-L374 WeakPolarHBondContact OH-CD2 3.5Å; Y347-I379 HydrophobicContact CE1-CD1 4.21Å; Y347-I379 WeakPolarHBondContact OH-CD1 3.38Å; Y347-I379 VanDerWaalsContact OH-CG1 3.26Å; Y347-I379 WeakPolarHBondContact OH-CG1 3.35Å
348	Y	42.9	Very low	43.2	Very low	63 Å²	63	92.4 Å²	92.4	25%	0.247	44%	0.438	C	S	.	.	H	α-helix	trans	-70.7	-42.4	-178.7	-140.8	-74	0	0	0	111.4	V344 Y345 F351 Y352 I405	V344-Y348 WeakPolarHBondContact O-CB 3.48Å; V344-Y348 PolarHBondContact O-N 2.84Å; Y345-Y348 PolarHBondContact O-N 3.39Å; Y348-F351 WeakPolarHBondContact O-CB 3.31Å; Y348-F351 PolarHBondContact O-N 3.46Å; Y348-Y352 WeakPolarHBondContact O-CB 3.45Å; Y348-Y352 PolarHBondContact O-N 3.45Å; Y348-I405 HydrophobicContact CD1-CB 4.11Å; Y348-I405 HydrophobicContact CD1-CD1 4.01Å; Y348-I405 HydrophobicContact CD1-CG1 3.64Å; Y348-I405 HydrophobicContact CD1-CG2 3.85Å; Y348-I405 HydrophobicContact CD2-CD1 3.96Å; Y348-I405 HydrophobicContact CD2-CG1 4.49Å; Y348-I405 HydrophobicContact CE1-CB 3.96Å; Y348-I405 HydrophobicContact CE1-CD1 4.45Å; Y348-I405 HydrophobicContact CE1-CG1 4.03Å; Y348-I405 HydrophobicContact CE1-CG2 3.6Å; Y348-I405 HydrophobicContact CE2-CD1 4.41Å; Y348-I405 HydrophobicContact CG-CD1 3.72Å; Y348-I405 HydrophobicContact CG-CG1 3.88Å
349	N	46.3	Very low	43.3	Very low	47 Å²	47	92.2 Å²	92.2	25%	0.251	44%	0.439	S	S	.	.	H	α-helix	trans	-60.5	-47.5	169.4	-85	-8.9	0	0	0	110.7	Y345 F351 Y352 E353	Y345-N349 WeakPolarHBondContact CE1-ND2 3.41Å; Y345-N349 WeakPolarHBondContact CE2-ND2 3.34Å; Y345-N349 WeakPolarHBondContact O-CB 3.29Å; Y345-N349 PolarHBondContact O-N 2.74Å; Y345-N349 PolarHBondContact OH-ND2 2.6Å; N349-F351 PolarHBondContact O-N 2.97Å; N349-Y352 PolarHBondContact O-N 3.23Å; N349-E353 WeakPolarHBondContact O-CB 3.37Å; N349-E353 VanDerWaalsContact O-CG 3.26Å; N349-E353 WeakPolarHBondContact O-CG 3.3Å; N349-E353 PolarHBondContact O-N 3.43Å
350	K	46.3	Very low	43.1	Very low	129 Å²	129	90.2 Å²	90.2	56%	0.561	43%	0.434	S	S	*	.	H	α-helix	trans	-61.9	-28.7	176.1	-166.9	169.1	-174.5	177.1	0	112.7	K346 Y347 N354	K346-K350 WeakPolarHBondContact O-CB 3.37Å; K346-K350 PolarHBondContact O-N 3.28Å; Y347-K350 PolarHBondContact O-N 3.49Å; K350-N354 WeakPolarHBondContact O-CB 3.33Å; K350-N354 PolarHBondContact O-N 2.76Å; K350-N354 PolarHBondContact O-ND2 3.42Å
351	F	42.4	Very low	42.9	Very low	125 Å²	125	94.2 Å²	94.2	55%	0.548	45%	0.447	S	S	.	.	H	α-helix	trans	-74.7	-38.8	172.5	-166.3	-101.3	0	0	0	112.5	Y347 Y348 N349 K355	Y347-F351 WeakPolarHBondContact O-CB 3.39Å; Y347-F351 PolarHBondContact O-N 2.8Å; Y348-F351 WeakPolarHBondContact O-CB 3.31Å; Y348-F351 PolarHBondContact O-N 3.46Å; N349-F351 PolarHBondContact O-N 2.97Å; F351-K355 PolarHBondContact O-N 2.98Å
352	Y	43.3	Very low	42.6	Very low	60 Å²	60	100.6 Å²	100.6	24%	0.235	47%	0.466	C	S	.	.	H	α-helix	trans	-77	-42.5	-178.6	-153.2	-94	0	0	0	112.7	Y348 N349 N354 K355 L356 Q411	Y348-Y352 WeakPolarHBondContact O-CB 3.45Å; Y348-Y352 PolarHBondContact O-N 3.45Å; N349-Y352 PolarHBondContact O-N 3.23Å; Y352-N354 VanDerWaalsContact C-N 3.3Å; Y352-N354 PolarHBondContact O-N 3.02Å; Y352-K355 CarbonylContact O-C 3.51Å; Y352-K355 WeakPolarHBondContact O-CA 3.43Å; Y352-K355 WeakPolarHBondContact O-CB 3.49Å; Y352-K355 PolarHBondContact O-N 2.79Å; Y352-L356 HydrophobicContact CD1-CD1 3.91Å; Y352-L356 HydrophobicContact CE1-CD1 3.71Å; Y352-L356 HydrophobicContact CE1-CG 4.31Å; Y352-L356 PolarHBondContact O-N 3.19Å; Y352-Q411 PolarHBondContact OH-NE2 2.87Å
353	E	45	Very low	42.3	Very low	127 Å²	127	105 Å²	105	59%	0.593	48%	0.483	S	S	*	.	H	α-helix	trans	-51.4	-46.1	165.8	-80.4	-75.3	113.7	0	0	111.5	N349 K355 S357	N349-E353 WeakPolarHBondContact O-CB 3.37Å; N349-E353 VanDerWaalsContact O-CG 3.26Å; N349-E353 WeakPolarHBondContact O-CG 3.3Å; N349-E353 PolarHBondContact O-N 3.43Å; E353-K355 VanDerWaalsContact C-N 3.35Å; E353-S357 WeakPolarHBondContact O-CB 3.35Å; E353-S357 PolarHBondContact O-N 2.94Å; E353-S357 PolarHBondContact O-OG 2.75Å
354	N	43.1	Very low	41.7	Very low	50 Å²	50	106.5 Å²	106.5	27%	0.267	48%	0.483	S	S	.	.	H	α-helix	trans	-66.3	-36.3	174.3	-87.9	-72.7	0	0	0	111.7	K350 Y352 S357 I358	K350-N354 WeakPolarHBondContact O-CB 3.33Å; K350-N354 PolarHBondContact O-N 2.76Å; K350-N354 PolarHBondContact O-ND2 3.42Å; Y352-N354 VanDerWaalsContact C-N 3.3Å; Y352-N354 PolarHBondContact O-N 3.02Å; N354-S357 WeakPolarHBondContact CA-OG 3.3Å; N354-S357 PolarHBondContact O-OG 2.84Å; N354-I358 WeakPolarHBondContact O-CB 3.41Å; N354-I358 WeakPolarHBondContact O-CD1 3.34Å; N354-I358 WeakPolarHBondContact O-CG1 3.37Å; N354-I358 PolarHBondContact O-N 3.4Å
355	K	40	Very low	41.4	Very low	122 Å²	122	105.7 Å²	105.7	53%	0.53	48%	0.479	S	S	.	.	H	α-helix	trans	-67.7	-45.7	177.6	-159.1	179.1	-179.9	-170.1	0	112	F351 Y352 E353 I359	F351-K355 PolarHBondContact O-N 2.98Å; Y352-K355 CarbonylContact O-C 3.51Å; Y352-K355 WeakPolarHBondContact O-CA 3.43Å; Y352-K355 WeakPolarHBondContact O-CB 3.49Å; Y352-K355 PolarHBondContact O-N 2.79Å; E353-K355 VanDerWaalsContact C-N 3.35Å; K355-I359 WeakPolarHBondContact O-CD1 3.5Å; K355-I359 VanDerWaalsContact O-CG1 3.3Å; K355-I359 WeakPolarHBondContact O-CG1 3.35Å; K355-I359 PolarHBondContact O-N 3.03Å; K355-I359 VanDerWaalsContact O-N 3.12Å
356	L	40.8	Very low	40.6	Very low	80 Å²	80	108.3 Å²	108.3	42%	0.419	50%	0.498	S	S	.	.	H	α-helix	trans	-65.4	-46.4	174.8	-98.4	163.8	0	0	0	111.9	Y352 I358 I359 N360	Y352-L356 HydrophobicContact CD1-CD1 3.91Å; Y352-L356 HydrophobicContact CE1-CD1 3.71Å; Y352-L356 HydrophobicContact CE1-CG 4.31Å; Y352-L356 PolarHBondContact O-N 3.19Å; L356-I358 PolarHBondContact O-N 3.38Å; L356-I359 PolarHBondContact O-N 2.92Å; L356-N360 PolarHBondContact O-N 2.89Å
357	S	39	Very low	39.8	Very low	32 Å²	32	109.5 Å²	109.5	22%	0.224	50%	0.503	C	S	.	.	H	α-helix	trans	-71.3	-26.8	178.6	64.9	0	0	0	0	113.4	E353 N354 K361	E353-S357 WeakPolarHBondContact O-CB 3.35Å; E353-S357 PolarHBondContact O-N 2.94Å; E353-S357 PolarHBondContact O-OG 2.75Å; N354-S357 WeakPolarHBondContact CA-OG 3.3Å; N354-S357 PolarHBondContact O-OG 2.84Å; S357-K361 WeakPolarHBondContact O-CA 3.26Å; S357-K361 WeakPolarHBondContact O-CB 3.2Å; S357-K361 WeakPolarHBondContact O-CG 3.33Å; S357-K361 PolarHBondContact O-N 3.13Å
358	I	40.7	Very low	39.3	Very low	95 Å²	95	111 Å²	111	49%	0.487	52%	0.518	S	S	.	.	H	α-helix	trans	-72.5	-30.4	169.7	-72.9	166.6	0	0	0	111.7	N354 L356 R362	N354-I358 WeakPolarHBondContact O-CB 3.41Å; N354-I358 WeakPolarHBondContact O-CD1 3.34Å; N354-I358 WeakPolarHBondContact O-CG1 3.37Å; N354-I358 PolarHBondContact O-N 3.4Å; L356-I358 PolarHBondContact O-N 3.38Å; I358-R362 WeakPolarHBondContact O-CG 3.05Å
359	I	41.9	Very low	38.7	Very low	109 Å²	109	114.2 Å²	114.2	56%	0.559	54%	0.539	S	S	*	.	H	α-helix	trans	-70.4	-44.6	171.8	-71.5	164.3	0	0	0	110.5	K355 L356	K355-I359 WeakPolarHBondContact O-CD1 3.5Å; K355-I359 VanDerWaalsContact O-CG1 3.3Å; K355-I359 WeakPolarHBondContact O-CG1 3.35Å; K355-I359 PolarHBondContact O-N 3.03Å; K355-I359 VanDerWaalsContact O-N 3.12Å; L356-I359 PolarHBondContact O-N 2.92Å
360	N	38.8	Very low	37.8	Very low	109 Å²	109	118.4 Å²	118.4	58%	0.583	56%	0.562	S	S	*	*	H	α-helix	trans	-78	-40.3	-177.7	-69.7	-15	0	0	0	113.6	L356 R362 K363	L356-N360 PolarHBondContact O-N 2.89Å; N360-R362 PolarHBondContact O-N 2.76Å; N360-R362 VanDerWaalsContact O-N 3.13Å; N360-K363 PolarHBondContact O-N 3.33Å; N360-K363 VanDerWaalsContact O-N 3.13Å
361	K	38.4	Very low	37	Very low	162 Å²	162	119 Å²	119	70%	0.704	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72	1	175.9	-65.4	174.6	176.8	177.6	0	113.5	S357 K363	S357-K361 WeakPolarHBondContact O-CA 3.26Å; S357-K361 WeakPolarHBondContact O-CB 3.2Å; S357-K361 WeakPolarHBondContact O-CG 3.33Å; S357-K361 PolarHBondContact O-N 3.13Å; K361-K363 VanDerWaalsContact C-N 3.27Å
362	R	36.9	Very low	36.5	Very low	210 Å²	210	119.1 Å²	119.1	79%	0.792	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.3	0.9	165.3	-88.6	179.7	165.8	-177.5	-4.5	114.3	I358 N360	I358-R362 WeakPolarHBondContact O-CG 3.05Å; N360-R362 PolarHBondContact O-N 2.76Å; N360-R362 VanDerWaalsContact O-N 3.13Å
363	K	38.9	Very low	35.9	Very low	190 Å²	190	122.4 Å²	122.4	83%	0.826	60%	0.599	S	S	*	*	S	Bend	trans	-104.9	-4.4	173.2	-78.2	-171.1	171.4	-175.5	0	115.6	N360 K361	N360-K363 PolarHBondContact O-N 3.33Å; N360-K363 VanDerWaalsContact O-N 3.13Å; K361-K363 VanDerWaalsContact C-N 3.27Å
364	K	33.7	Very low	35.5	Very low	124 Å²	124	119.8 Å²	119.8	54%	0.539	59%	0.588	S	S	.	*	S	Bend	trans	-159.5	159.4	179.4	-112.7	151	172.1	-162.7	0	111.9	T1458 N1459	K364-T1458 VanDerWaalsContact CG-O 3.27Å; K364-T1458 WeakPolarHBondContact CG-O 3.5Å; K364-N1459 WeakPolarHBondContact CD-OD1 3.46Å; K364-N1459 WeakPolarHBondContact CG-OD1 3.37Å
365	S	34.1	Very low	35.4	Very low	39 Å²	39	120.9 Å²	120.9	27%	0.273	60%	0.597	S	S	.	*			trans	-79.1	155.1	-149.8	-158.1	0	0	0	0	119.2	T1457	S365-T1457 VanDerWaalsContact CB-O 3.3Å; S365-T1457 WeakPolarHBondContact CB-O 3.49Å; S365-T1457 WeakPolarHBondContact CB-OG1 3.38Å; S365-T1457 PolarHBondContact OG-O 2.9Å; S365-T1457 PolarHBondContact OG-OG1 3.3Å
366	I	30.3	Very low	35.2	Very low	146 Å²	146	124.6 Å²	124.6	75%	0.749	61%	0.607	S	S	*	*			trans	-41.9	126	147.1	-55	158.5	0	0	0	112.2
367	K	31	Very low	35.2	Very low	181 Å²	181	127.3 Å²	127.3	79%	0.787	62%	0.618	S	S	*	*				-164.4	147.6	113.8	-106.7	-177.7	-179	-179.4	0	112.7
368	N	31.9	Very low	35.4	Very low	130 Å²	130	129.9 Å²	129.9	70%	0.695	63%	0.627	S	S	*	*			trans	64.7	125.3	159.9	-62.1	10.6	0	0	0	121.6
369	N	29.8	Very low	35.3	Very low	131 Å²	131	127.8 Å²	127.8	70%	0.701	62%	0.617	S	S	*	*			trans	75	103.8	140.9	-61.2	4.8	0	0	0	121.2
370	N	28.4	Very low	35.4	Very low	135 Å²	135	127.7 Å²	127.7	72%	0.722	62%	0.615	S	S	*	*				54.2	100	122.3	-55.6	-6.4	0	0	0	118.6
371	N	29.6	Very low	35.8	Very low	141 Å²	141	126 Å²	126	75%	0.754	60%	0.604	S	S	*	*				-165.8	121.2	115.9	-100.9	-39.2	0	0	0	113.4	L373	N371-L373 PolarHBondContact O-N 2.81Å
372	N	31.9	Very low	36.3	Very low	128 Å²	128	125 Å²	125	68%	0.684	60%	0.599	S	S	*	*			trans	44.5	58.4	154.3	-61.8	-21.5	0	0	0	118.3	L374	N372-L374 PolarHBondContact O-N 2.93Å
373	L	30.7	Very low	36.8	Very low	130 Å²	130	117.1 Å²	117.1	68%	0.681	57%	0.571	S	S	*	*			trans	-73.6	107.3	156.7	-111.1	88.2	0	0	0	109.6	N371 T375	N371-L373 PolarHBondContact O-N 2.81Å; L373-T375 PolarHBondContact O-N 3.35Å; L373-T375 VanDerWaalsContact O-N 3.09Å
374	L	36.2	Very low	37.3	Very low	71 Å²	71	108.8 Å²	108.8	37%	0.372	54%	0.539	S	S	.	.			trans	-59.7	113.8	166.4	-115.1	71.2	0	0	0	108.6	Y347 N372 M378	Y347-L374 HydrophobicContact CE2-CD2 4.13Å; Y347-L374 WeakPolarHBondContact OH-CD2 3.5Å; N372-L374 PolarHBondContact O-N 2.93Å; L374-M378 HydrophobicContact CD1-CE 3.9Å; L374-M378 HydrophobicContact CD1-SD 4.38Å; L374-M378 HydrophobicContact CG-CB 4.36Å; L374-M378 HydrophobicContact CG-CE 3.92Å; L374-M378 HydrophobicContact CG-SD 4.05Å
375	T	40.1	Very low	38.4	Very low	73 Å²	73	111.3 Å²	111.3	45%	0.448	55%	0.545	S	S	.	.			trans	-68.2	152.8	-177.2	63.6	0	0	0	0	110.5	L373 Q377 M378 I379	L373-T375 PolarHBondContact O-N 3.35Å; L373-T375 VanDerWaalsContact O-N 3.09Å; T375-Q377 PolarHBondContact O-N 3.25Å; T375-M378 WeakPolarHBondContact O-CB 3.4Å; T375-M378 PolarHBondContact O-N 2.94Å; T375-M378 WeakPolarHBondContact OG1-CG 3.42Å; T375-M378 PolarHBondContact OG1-N 3.45Å; T375-M378 VanDerWaalsContact OG1-N 3.15Å; T375-I379 PolarHBondContact O-N 3.41Å
376	R	36.5	Very low	39.1	Very low	200 Å²	200	111.8 Å²	111.8	76%	0.755	55%	0.545	S	S	*	.	H	α-helix	trans	-50.4	-27.4	168.2	177.5	178.5	174	168.2	2.1	112.5	M380	R376-M380 VanDerWaalsContact O-CG 3.26Å; R376-M380 WeakPolarHBondContact O-CG 3.37Å; R376-M380 PolarHBondContact O-N 2.96Å
377	Q	40.2	Very low	40.4	Very low	138 Å²	138	105.7 Å²	105.7	65%	0.645	51%	0.514	S	S	*	.	H	α-helix	trans	-70.7	-48.9	175.8	-163.9	162.9	-25.4	0	0	111.4	T375 I379 M380 E381	T375-Q377 PolarHBondContact O-N 3.25Å; Q377-I379 PolarHBondContact O-N 3.26Å; Q377-M380 PolarHBondContact O-N 3.37Å; Q377-M380 VanDerWaalsContact O-N 3.1Å; Q377-E381 WeakPolarHBondContact O-CG 3.35Å; Q377-E381 PolarHBondContact O-N 2.89Å
378	M	43.1	Very low	41.1	Very low	85 Å²	85	98.4 Å²	98.4	42%	0.419	48%	0.484	S	S	.	.	H	α-helix	trans	-57.7	-33.1	170.4	-65.9	171.3	80.3	0	0	112.9	L374 T375 K382	L374-M378 HydrophobicContact CD1-CE 3.9Å; L374-M378 HydrophobicContact CD1-SD 4.38Å; L374-M378 HydrophobicContact CG-CB 4.36Å; L374-M378 HydrophobicContact CG-CE 3.92Å; L374-M378 HydrophobicContact CG-SD 4.05Å; T375-M378 WeakPolarHBondContact O-CB 3.4Å; T375-M378 PolarHBondContact O-N 2.94Å; T375-M378 WeakPolarHBondContact OG1-CG 3.42Å; T375-M378 PolarHBondContact OG1-N 3.45Å; T375-M378 VanDerWaalsContact OG1-N 3.15Å; M378-K382 WeakPolarHBondContact O-CB 3.42Å; M378-K382 PolarHBondContact O-N 3.36Å
379	I	38.8	Very low	41.5	Very low	51 Å²	51	97.2 Å²	97.2	26%	0.262	48%	0.477	S	S	.	.	H	α-helix	trans	-68.1	-46.4	174.8	-60.7	178.7	0	0	0	110.9	Y347 T375 Q377 E381 K382 F383	Y347-I379 HydrophobicContact CE1-CD1 4.21Å; Y347-I379 WeakPolarHBondContact OH-CD1 3.38Å; Y347-I379 VanDerWaalsContact OH-CG1 3.26Å; Y347-I379 WeakPolarHBondContact OH-CG1 3.35Å; T375-I379 PolarHBondContact O-N 3.41Å; Q377-I379 PolarHBondContact O-N 3.26Å; I379-E381 VanDerWaalsContact C-N 3.29Å; I379-E381 PolarHBondContact O-N 3.49Å; I379-K382 PolarHBondContact O-N 3.32Å; I379-F383 VanDerWaalsContact O-CB 3.27Å; I379-F383 WeakPolarHBondContact O-CB 3.35Å; I379-F383 PolarHBondContact O-N 3.17Å
380	M	43.9	Very low	42.2	Very low	108 Å²	108	93.8 Å²	93.8	53%	0.532	46%	0.457	S	S	.	.	H	α-helix	trans	-66.7	-31.5	176.4	-68.3	-73.3	149.5	0	0	111.9	R376 Q377 G384	R376-M380 VanDerWaalsContact O-CG 3.26Å; R376-M380 WeakPolarHBondContact O-CG 3.37Å; R376-M380 PolarHBondContact O-N 2.96Å; Q377-M380 PolarHBondContact O-N 3.37Å; Q377-M380 VanDerWaalsContact O-N 3.1Å; M380-G384 WeakPolarHBondContact O-CA 3.25Å; M380-G384 PolarHBondContact O-N 3.13Å
381	E	47.5	Very low	43.1	Very low	74 Å²	74	88.9 Å²	88.9	35%	0.346	43%	0.429	S	S	.	.	H	α-helix	trans	-70.7	-40.4	171.7	-73.6	173.2	-147.7	0	0	112.8	Q377 I379 R385	Q377-E381 WeakPolarHBondContact O-CG 3.35Å; Q377-E381 PolarHBondContact O-N 2.89Å; I379-E381 VanDerWaalsContact C-N 3.29Å; I379-E381 PolarHBondContact O-N 3.49Å; E381-R385 WeakPolarHBondContact O-CD 3.32Å; E381-R385 WeakPolarHBondContact O-CG 3.48Å; E381-R385 PolarHBondContact O-N 3.47Å; E381-R385 VanDerWaalsContact O-N 3.09Å; E381-R385 PolarHBondContact O-NE 3.03Å; E381-R385 IonicContact OE2-NH2 3.75Å
382	K	48.4	Very low	43.7	Very low	140 Å²	140	87.8 Å²	87.8	61%	0.609	42%	0.42	S	S	*	.	H	α-helix	trans	-68.4	-49.7	174.1	-82.6	-162.2	170.9	-162.8	0	111.5	M378 I379 G384 R385 L386	M378-K382 WeakPolarHBondContact O-CB 3.42Å; M378-K382 PolarHBondContact O-N 3.36Å; I379-K382 PolarHBondContact O-N 3.32Å; K382-G384 PolarHBondContact O-N 2.81Å; K382-R385 WeakPolarHBondContact O-CB 3.04Å; K382-R385 PolarHBondContact O-N 2.93Å; K382-L386 PolarHBondContact O-N 3.28Å
383	F	48.9	Very low	44.1	Very low	45 Å²	45	86.3 Å²	86.3	20%	0.197	41%	0.411	C	S	.	.	H	α-helix	trans	-58.8	-35.1	174.7	-179	-100.7	0	0	0	112.1	I379 R385 L386 K391 F394 Y395	I379-F383 VanDerWaalsContact O-CB 3.27Å; I379-F383 WeakPolarHBondContact O-CB 3.35Å; I379-F383 PolarHBondContact O-N 3.17Å; F383-R385 VanDerWaalsContact C-N 3.34Å; F383-L386 HydrophobicContact CD2-CD1 3.8Å; F383-L386 HydrophobicContact CE2-CD1 4.36Å; F383-L386 WeakPolarHBondContact O-CB 3.18Å; F383-L386 PolarHBondContact O-N 3.26Å; F383-K391 HydrophobicContact CE1-CD 4.05Å; F383-K391 HydrophobicContact CE1-CG 4.38Å; F383-K391 HydrophobicContact CE2-CB 4.49Å; F383-K391 HydrophobicContact CE2-CD 4.43Å; F383-K391 HydrophobicContact CE2-CG 3.88Å; F383-K391 HydrophobicContact CZ-CB 4.44Å; F383-K391 HydrophobicContact CZ-CD 3.88Å; F383-K391 HydrophobicContact CZ-CG 3.82Å; F383-F394 AromaticContact CD2-CD1 3.78Å; F383-F394 HydrophobicContact CD2-CD1 3.78Å; F383-F394 HydrophobicContact CD2-CD2 4.41Å; F383-F394 AromaticContact CD2-CE1 3.87Å; F383-F394 HydrophobicContact CD2-CE1 3.87Å; F383-F394 HydrophobicContact CD2-CE2 4.49Å; F383-F394 HydrophobicContact CD2-CG 4.07Å; F383-F394 HydrophobicContact CD2-CZ 4.24Å; F383-F394 HydrophobicContact CE2-CB 4.4Å; F383-F394 AromaticContact CE2-CD1 3.43Å; F383-F394 HydrophobicContact CE2-CD1 3.43Å; F383-F394 VanDerWaalsContact CE2-CD1 3.43Å; F383-F394 AromaticContact CE2-CE1 3.81Å; F383-F394 HydrophobicContact CE2-CE1 3.81Å; F383-F394 AromaticContact CE2-CG 3.96Å; F383-F394 HydrophobicContact CE2-CG 3.96Å; F383-Y395 HydrophobicContact CE2-CE2 4.49Å; F383-Y395 AromaticContact CZ-CE2 3.89Å; F383-Y395 HydrophobicContact CZ-CE2 3.89Å; F383-Y395 AromaticContact CZ-CZ 3.9Å
384	G	49.4	Very low	44.7	Very low	15 Å²	15	84.4 Å²	84.4	16%	0.155	40%	0.398	C	S	.	.	H	α-helix	trans	-73.5	-18.1	174.9	0	0	0	0	0	115.5	Y64 M380 K382	Y64-G384 WeakPolarHBondContact OH-CA 3.3Å; Y64-G384 PolarHBondContact OH-O 3.05Å; M380-G384 WeakPolarHBondContact O-CA 3.25Å; M380-G384 PolarHBondContact O-N 3.13Å; K382-G384 PolarHBondContact O-N 2.81Å
385	R	56.5	Low	45.2	Very low	177 Å²	177	87.9 Å²	87.9	67%	0.668	41%	0.407	S	S	*	.	H	α-helix	trans	-86.1	-14.6	170.3	-70.5	165.5	-153.8	-152	7.4	112.7	E381 K382 F383	E381-R385 WeakPolarHBondContact O-CD 3.32Å; E381-R385 WeakPolarHBondContact O-CG 3.48Å; E381-R385 PolarHBondContact O-N 3.47Å; E381-R385 VanDerWaalsContact O-N 3.09Å; E381-R385 PolarHBondContact O-NE 3.03Å; E381-R385 IonicContact OE2-NH2 3.75Å; K382-R385 WeakPolarHBondContact O-CB 3.04Å; K382-R385 PolarHBondContact O-N 2.93Å; F383-R385 VanDerWaalsContact C-N 3.34Å
386	L	48.9	Very low	45.4	Very low	49 Å²	49	90.2 Å²	90.2	26%	0.257	41%	0.411	S	S	.	.	S	Bend	trans	-64.4	145.8	174.5	-60.2	-179.1	0	0	0	110.5	K382 F383 E390 K391 F394	K382-L386 PolarHBondContact O-N 3.28Å; F383-L386 HydrophobicContact CD2-CD1 3.8Å; F383-L386 HydrophobicContact CE2-CD1 4.36Å; F383-L386 WeakPolarHBondContact O-CB 3.18Å; F383-L386 PolarHBondContact O-N 3.26Å; L386-E390 VanDerWaalsContact CA-OE2 3.28Å; L386-E390 WeakPolarHBondContact CA-OE2 3.3Å; L386-E390 HydrophobicContact CB-CB 3.84Å; L386-E390 HydrophobicContact CD2-CB 4.15Å; L386-E390 HydrophobicContact CG-CB 4.41Å; L386-K391 HydrophobicContact CB-CG 3.92Å; L386-K391 HydrophobicContact CD1-CG 4.46Å; L386-K391 VanDerWaalsContact O-CE 3.31Å; L386-K391 WeakPolarHBondContact O-CE 3.37Å; L386-K391 PolarHBondContact O-NZ 2.85Å; L386-F394 HydrophobicContact CD1-CB 3.98Å; L386-F394 HydrophobicContact CD1-CD2 4.09Å; L386-F394 HydrophobicContact CD1-CG 4.17Å
387	T	57.5	Low	45.6	Very low	18 Å²	18	82.3 Å²	82.3	11%	0.11	39%	0.386	C	S	.	.			trans	-67.2	173.3	168	67.7	0	0	0	0	111.9	K107 N389 E390 K391	K107-T387 HydrophobicContact CB-CG2 3.51Å; K107-T387 HydrophobicContact CD-CG2 3.37Å; K107-T387 HydrophobicContact CG-CG2 3.52Å; T387-N389 VanDerWaalsContact C-N 3.34Å; T387-E390 HydrophobicContact CG2-CG 4.47Å; T387-E390 WeakPolarHBondContact CG2-OE1 3.37Å; T387-E390 PolarHBondContact N-OE2 2.73Å; T387-E390 PolarHBondContact O-N 2.93Å; T387-E390 VanDerWaalsContact OG1-CB 3.31Å; T387-E390 WeakPolarHBondContact OG1-CB 3.33Å; T387-E390 VanDerWaalsContact OG1-CD 3.25Å; T387-E390 VanDerWaalsContact OG1-CG 3.22Å; T387-E390 WeakPolarHBondContact OG1-CG 3.44Å; T387-E390 PolarHBondContact OG1-N 3.5Å; T387-K391 WeakPolarHBondContact O-CB 3.42Å; T387-K391 VanDerWaalsContact O-CG 3.31Å; T387-K391 WeakPolarHBondContact O-CG 3.48Å; T387-K391 PolarHBondContact O-N 3.29Å; T387-K391 PolarHBondContact O-NZ 3.3Å
388	D	45.3	Very low	45.7	Very low	27 Å²	27	77.4 Å²	77.4	14%	0.144	37%	0.369	C	S	.	.	H	α-helix	trans	-73.6	-30.5	175.4	-60.1	-36	0	0	0	111.7	N109 I111 K391 Q392	N109-D388 PolarHBondContact ND2-OD2 3.11Å; I111-D388 HydrophobicContact CB-CB 4.29Å; D388-K391 PolarHBondContact O-N 2.83Å; D388-K391 IonicContact OD1-NZ 3.57Å; D388-K391 PolarHBondContact OD1-NZ 2.99Å; D388-Q392 WeakPolarHBondContact O-CG 3.15Å; D388-Q392 PolarHBondContact O-N 3.15Å
389	N	41.2	Very low	46	Very low	106 Å²	106	77.9 Å²	77.9	57%	0.567	38%	0.377	S	S	*	.	H	α-helix	trans	-64	-47.7	167.5	-69.6	9.9	0	0	0	111	T387 K391 Q392 L393	T387-N389 VanDerWaalsContact C-N 3.34Å; N389-K391 VanDerWaalsContact C-N 3.29Å; N389-K391 PolarHBondContact O-N 3.42Å; N389-Q392 PolarHBondContact O-N 3.13Å; N389-L393 VanDerWaalsContact O-CB 3.3Å; N389-L393 WeakPolarHBondContact O-CB 3.12Å; N389-L393 PolarHBondContact O-N 2.95Å
390	E	44.6	Very low	46.3	Very low	59 Å²	59	80.3 Å²	80.3	28%	0.276	38%	0.383	S	S	.	.	H	α-helix	trans	-67.3	-27.4	176.5	-71.5	155.7	-156.2	0	0	112.3	K107 L386 T387 F394	K107-E390 IonicContact NZ-OE1 3.36Å; K107-E390 PolarHBondContact NZ-OE1 2.92Å; L386-E390 VanDerWaalsContact CA-OE2 3.28Å; L386-E390 WeakPolarHBondContact CA-OE2 3.3Å; L386-E390 HydrophobicContact CB-CB 3.84Å; L386-E390 HydrophobicContact CD2-CB 4.15Å; L386-E390 HydrophobicContact CG-CB 4.41Å; T387-E390 HydrophobicContact CG2-CG 4.47Å; T387-E390 WeakPolarHBondContact CG2-OE1 3.37Å; T387-E390 PolarHBondContact N-OE2 2.73Å; T387-E390 PolarHBondContact O-N 2.93Å; T387-E390 VanDerWaalsContact OG1-CB 3.31Å; T387-E390 WeakPolarHBondContact OG1-CB 3.33Å; T387-E390 VanDerWaalsContact OG1-CD 3.25Å; T387-E390 VanDerWaalsContact OG1-CG 3.22Å; T387-E390 WeakPolarHBondContact OG1-CG 3.44Å; T387-E390 PolarHBondContact OG1-N 3.5Å; E390-F394 WeakPolarHBondContact O-CB 3.29Å; E390-F394 PolarHBondContact O-N 3.41Å
391	K	45.6	Very low	46.3	Very low	31 Å²	31	75.6 Å²	75.6	14%	0.135	36%	0.361	C	S	.	.	H	α-helix	trans	-73.4	-40.9	170.2	-78.4	-177.3	-130.7	68.4	0	112	F383 L386 T387 D388 N389 L393 F394 Y395	F383-K391 HydrophobicContact CE1-CD 4.05Å; F383-K391 HydrophobicContact CE1-CG 4.38Å; F383-K391 HydrophobicContact CE2-CB 4.49Å; F383-K391 HydrophobicContact CE2-CD 4.43Å; F383-K391 HydrophobicContact CE2-CG 3.88Å; F383-K391 HydrophobicContact CZ-CB 4.44Å; F383-K391 HydrophobicContact CZ-CD 3.88Å; F383-K391 HydrophobicContact CZ-CG 3.82Å; L386-K391 HydrophobicContact CB-CG 3.92Å; L386-K391 HydrophobicContact CD1-CG 4.46Å; L386-K391 VanDerWaalsContact O-CE 3.31Å; L386-K391 WeakPolarHBondContact O-CE 3.37Å; L386-K391 PolarHBondContact O-NZ 2.85Å; T387-K391 WeakPolarHBondContact O-CB 3.42Å; T387-K391 VanDerWaalsContact O-CG 3.31Å; T387-K391 WeakPolarHBondContact O-CG 3.48Å; T387-K391 PolarHBondContact O-N 3.29Å; T387-K391 PolarHBondContact O-NZ 3.3Å; D388-K391 PolarHBondContact O-N 2.83Å; D388-K391 IonicContact OD1-NZ 3.57Å; D388-K391 PolarHBondContact OD1-NZ 2.99Å; N389-K391 VanDerWaalsContact C-N 3.29Å; N389-K391 PolarHBondContact O-N 3.42Å; K391-L393 VanDerWaalsContact C-N 3.35Å; K391-F394 PolarHBondContact O-N 2.83Å; K391-Y395 WeakPolarHBondContact O-CD2 3.44Å; K391-Y395 PolarHBondContact O-N 3.18Å
392	Q	42.7	Very low	46.4	Very low	119 Å²	119	72.8 Å²	72.8	56%	0.556	35%	0.35	S	S	*	.	H	α-helix	trans	-61.6	-46.1	171.1	-76.2	-173.3	3.7	0	0	110.3	D388 N389 F394 Y395 F396	D388-Q392 WeakPolarHBondContact O-CG 3.15Å; D388-Q392 PolarHBondContact O-N 3.15Å; N389-Q392 PolarHBondContact O-N 3.13Å; Q392-F394 VanDerWaalsContact C-N 3.32Å; Q392-F394 PolarHBondContact O-N 3.34Å; Q392-Y395 PolarHBondContact O-N 3.22Å; Q392-Y395 VanDerWaalsContact O-N 3.15Å; Q392-F396 VanDerWaalsContact O-CB 3.32Å; Q392-F396 WeakPolarHBondContact O-CB 3.32Å; Q392-F396 PolarHBondContact O-N 3.37Å
393	L	41.3	Very low	46.4	Very low	97 Å²	97	67.9 Å²	67.9	51%	0.508	33%	0.329	S	S	.	.	H	α-helix	trans	-62.3	-37.7	175.6	-158.5	74.8	0	0	0	111.5	N389 K391 F396 S397	N389-L393 VanDerWaalsContact O-CB 3.3Å; N389-L393 WeakPolarHBondContact O-CB 3.12Å; N389-L393 PolarHBondContact O-N 2.95Å; K391-L393 VanDerWaalsContact C-N 3.35Å; L393-F396 PolarHBondContact O-N 3.49Å; L393-S397 WeakPolarHBondContact O-CB 3.41Å; L393-S397 PolarHBondContact O-N 2.76Å; L393-S397 PolarHBondContact O-OG 3.43Å
394	F	43.1	Very low	46.3	Very low	90 Å²	90	69.4 Å²	69.4	40%	0.395	34%	0.338	S	S	.	.	H	α-helix	trans	-67.7	-38.4	172.1	-178.7	-82.2	0	0	0	112.3	F383 L386 E390 K391 Q392 S397 A398	F383-F394 AromaticContact CD2-CD1 3.78Å; F383-F394 HydrophobicContact CD2-CD1 3.78Å; F383-F394 HydrophobicContact CD2-CD2 4.41Å; F383-F394 AromaticContact CD2-CE1 3.87Å; F383-F394 HydrophobicContact CD2-CE1 3.87Å; F383-F394 HydrophobicContact CD2-CE2 4.49Å; F383-F394 HydrophobicContact CD2-CG 4.07Å; F383-F394 HydrophobicContact CD2-CZ 4.24Å; F383-F394 HydrophobicContact CE2-CB 4.4Å; F383-F394 AromaticContact CE2-CD1 3.43Å; F383-F394 HydrophobicContact CE2-CD1 3.43Å; F383-F394 VanDerWaalsContact CE2-CD1 3.43Å; F383-F394 AromaticContact CE2-CE1 3.81Å; F383-F394 HydrophobicContact CE2-CE1 3.81Å; F383-F394 AromaticContact CE2-CG 3.96Å; F383-F394 HydrophobicContact CE2-CG 3.96Å; L386-F394 HydrophobicContact CD1-CB 3.98Å; L386-F394 HydrophobicContact CD1-CD2 4.09Å; L386-F394 HydrophobicContact CD1-CG 4.17Å; E390-F394 WeakPolarHBondContact O-CB 3.29Å; E390-F394 PolarHBondContact O-N 3.41Å; K391-F394 PolarHBondContact O-N 2.83Å; Q392-F394 VanDerWaalsContact C-N 3.32Å; Q392-F394 PolarHBondContact O-N 3.34Å; F394-S397 PolarHBondContact O-OG 3.3Å; F394-A398 HydrophobicContact CD1-CB 4.3Å; F394-A398 HydrophobicContact CE1-CB 4.16Å; F394-A398 WeakPolarHBondContact O-CA 3.44Å; F394-A398 WeakPolarHBondContact O-CB 3.36Å; F394-A398 PolarHBondContact O-N 3.02Å
395	Y	46.8	Very low	46.2	Very low	144 Å²	144	69 Å²	69	57%	0.565	33%	0.332	S	S	*	.	H	α-helix	trans	-70.8	-37.6	174.5	-80.3	-62	0	0	0	111.8	F383 K391 Q392 T399	F383-Y395 HydrophobicContact CE2-CE2 4.49Å; F383-Y395 AromaticContact CZ-CE2 3.89Å; F383-Y395 HydrophobicContact CZ-CE2 3.89Å; F383-Y395 AromaticContact CZ-CZ 3.9Å; K391-Y395 WeakPolarHBondContact O-CD2 3.44Å; K391-Y395 PolarHBondContact O-N 3.18Å; Q392-Y395 PolarHBondContact O-N 3.22Å; Q392-Y395 VanDerWaalsContact O-N 3.15Å; Y395-T399 VanDerWaalsContact O-CB 3.3Å; Y395-T399 WeakPolarHBondContact O-CB 3.29Å; Y395-T399 PolarHBondContact O-N 3.08Å; Y395-T399 PolarHBondContact O-OG1 2.98Å
396	F	42.7	Very low	45.9	Very low	122 Å²	122	60.8 Å²	60.8	54%	0.535	30%	0.302	S	S	.	.	H	α-helix	trans	-66.8	-47.1	176	-154.4	-88.9	0	0	0	110.5	Q392 L393 R400	Q392-F396 VanDerWaalsContact O-CB 3.32Å; Q392-F396 WeakPolarHBondContact O-CB 3.32Å; Q392-F396 PolarHBondContact O-N 3.37Å; L393-F396 PolarHBondContact O-N 3.49Å; F396-R400 WeakPolarHBondContact O-CB 3.43Å; F396-R400 PolarHBondContact O-N 2.9Å
397	S	41.4	Very low	45.8	Very low	33 Å²	33	59.3 Å²	59.3	23%	0.231	30%	0.296	C	S	.	.	H	α-helix	trans	-74.6	-29.1	177.2	74	0	0	0	0	113.2	L393 F394 A401	L393-S397 WeakPolarHBondContact O-CB 3.41Å; L393-S397 PolarHBondContact O-N 2.76Å; L393-S397 PolarHBondContact O-OG 3.43Å; F394-S397 PolarHBondContact O-OG 3.3Å; S397-A401 WeakPolarHBondContact O-CA 3.48Å; S397-A401 WeakPolarHBondContact O-CB 3.42Å; S397-A401 PolarHBondContact O-N 3.15Å
398	A	43.3	Very low	45.4	Very low	35 Å²	35	60.1 Å²	60.1	29%	0.289	30%	0.3	S	S	.	.	H	α-helix	trans	-76.9	-32.4	173.4	0	0	0	0	0	112.5	F394 A402	F394-A398 HydrophobicContact CD1-CB 4.3Å; F394-A398 HydrophobicContact CE1-CB 4.16Å; F394-A398 WeakPolarHBondContact O-CA 3.44Å; F394-A398 WeakPolarHBondContact O-CB 3.36Å; F394-A398 PolarHBondContact O-N 3.02Å; A398-A402 WeakPolarHBondContact O-CB 3.24Å; A398-A402 PolarHBondContact O-N 2.98Å
399	T	47.5	Very low	45.5	Very low	96 Å²	96	61.1 Å²	61.1	59%	0.589	30%	0.303	S	S	*	.	H	α-helix	trans	-71.1	-46.5	169.4	-61.7	0	0	0	0	110.2	Y395 A401 A402 Y403	Y395-T399 VanDerWaalsContact O-CB 3.3Å; Y395-T399 WeakPolarHBondContact O-CB 3.29Å; Y395-T399 PolarHBondContact O-N 3.08Å; Y395-T399 PolarHBondContact O-OG1 2.98Å; T399-A401 VanDerWaalsContact C-N 3.31Å; T399-A401 PolarHBondContact O-N 3.5Å; T399-A402 PolarHBondContact O-N 3.28Å; T399-Y403 WeakPolarHBondContact O-CB 3.47Å; T399-Y403 PolarHBondContact O-N 2.96Å
400	R	45.5	Very low	46	Very low	102 Å²	102	58.7 Å²	58.7	39%	0.385	29%	0.294	S	S	.	.	H	α-helix	trans	-63.7	-33	174.6	-177.5	170.8	165.4	-173.3	-8.7	112.4	F396 L404	F396-R400 WeakPolarHBondContact O-CB 3.43Å; F396-R400 PolarHBondContact O-N 2.9Å; R400-L404 VanDerWaalsContact O-CB 3.24Å; R400-L404 WeakPolarHBondContact O-CB 3.46Å; R400-L404 PolarHBondContact O-N 3.1Å
401	A	45.4	Very low	46.3	Very low	8 Å²	8	58.7 Å²	58.7	7%	0.066	29%	0.294	C	S	.	.	H	α-helix	trans	-78.6	-36.7	173.4	0	0	0	0	0	112	V344 S397 T399 Y403 L404 I405	V344-A401 HydrophobicContact CG1-CB 3.95Å; S397-A401 WeakPolarHBondContact O-CA 3.48Å; S397-A401 WeakPolarHBondContact O-CB 3.42Å; S397-A401 PolarHBondContact O-N 3.15Å; T399-A401 VanDerWaalsContact C-N 3.31Å; T399-A401 PolarHBondContact O-N 3.5Å; A401-Y403 PolarHBondContact O-N 3.23Å; A401-L404 PolarHBondContact O-N 2.99Å; A401-I405 HydrophobicContact CB-CD1 4.02Å; A401-I405 VanDerWaalsContact O-CB 3.27Å; A401-I405 WeakPolarHBondContact O-CB 3.4Å; A401-I405 WeakPolarHBondContact O-CD1 3.39Å; A401-I405 PolarHBondContact O-N 2.93Å
402	A	48.8	Very low	46.7	Very low	15 Å²	15	61.5 Å²	61.5	12%	0.124	31%	0.308	C	S	.	.	H	α-helix	trans	-60.8	-38.1	171.1	0	0	0	0	0	111.1	A398 T399 A406 P415	A398-A402 WeakPolarHBondContact O-CB 3.24Å; A398-A402 PolarHBondContact O-N 2.98Å; T399-A402 PolarHBondContact O-N 3.28Å; A402-A406 VanDerWaalsContact O-CB 3.22Å; A402-A406 WeakPolarHBondContact O-CB 3.41Å; A402-A406 PolarHBondContact O-N 2.84Å; A402-P415 HydrophobicContact CB-CG 4.02Å
403	Y	47.8	Very low	47	Very low	38 Å²	38	61.5 Å²	61.5	15%	0.149	31%	0.306	C	S	.	.	H	α-helix	trans	-64.1	-54.4	169.2	-175.5	-76.8	0	0	0	111.5	T399 A401 I405 A406 S407 L472 R480 D481	T399-Y403 WeakPolarHBondContact O-CB 3.47Å; T399-Y403 PolarHBondContact O-N 2.96Å; A401-Y403 PolarHBondContact O-N 3.23Å; Y403-I405 VanDerWaalsContact C-N 3.34Å; Y403-I405 PolarHBondContact O-N 2.97Å; Y403-A406 WeakPolarHBondContact O-CA 3.29Å; Y403-A406 WeakPolarHBondContact O-CB 3.41Å; Y403-A406 PolarHBondContact O-N 3.22Å; Y403-S407 PolarHBondContact O-N 2.95Å; Y403-S407 PolarHBondContact O-OG 2.98Å; Y403-L472 HydrophobicContact CD2-CD1 4.18Å; Y403-L472 HydrophobicContact CE1-CD1 4.32Å; Y403-L472 HydrophobicContact CE2-CB 4.37Å; Y403-L472 HydrophobicContact CE2-CD1 3.71Å; Y403-L472 HydrophobicContact CE2-CG 4.37Å; Y403-R480 HydrophobicContact CE2-CB 3.93Å; Y403-R480 PolarHBondContact OH-O 3.26Å; Y403-D481 WeakPolarHBondContact OH-CA 3.27Å
404	L	46.9	Very low	47.4	Very low	77 Å²	77	58.5 Å²	58.5	40%	0.403	29%	0.291	S	S	.	.	H	α-helix	trans	-61.2	-39.6	-177.9	-160.6	83.1	0	0	0	112.3	R400 A401 S407 I408	R400-L404 VanDerWaalsContact O-CB 3.24Å; R400-L404 WeakPolarHBondContact O-CB 3.46Å; R400-L404 PolarHBondContact O-N 3.1Å; A401-L404 PolarHBondContact O-N 2.99Å; L404-S407 PolarHBondContact O-N 3.38Å; L404-I408 HydrophobicContact CD2-CD1 3.96Å; L404-I408 HydrophobicContact CG-CD1 3.83Å; L404-I408 WeakPolarHBondContact O-CB 3.41Å; L404-I408 WeakPolarHBondContact O-CD1 3.45Å; L404-I408 WeakPolarHBondContact O-CG1 3.35Å; L404-I408 PolarHBondContact O-N 2.97Å
405	I	48.2	Very low	47.4	Very low	6 Å²	6	59.1 Å²	59.1	3%	0.031	30%	0.304	C	S	.	.	H	α-helix	trans	-70.8	-35.9	173.7	-80.8	88.4	0	0	0	110.9	Y348 A401 Y403 S407 I408 Q409	Y348-I405 HydrophobicContact CD1-CB 4.11Å; Y348-I405 HydrophobicContact CD1-CD1 4.01Å; Y348-I405 HydrophobicContact CD1-CG1 3.64Å; Y348-I405 HydrophobicContact CD1-CG2 3.85Å; Y348-I405 HydrophobicContact CD2-CD1 3.96Å; Y348-I405 HydrophobicContact CD2-CG1 4.49Å; Y348-I405 HydrophobicContact CE1-CB 3.96Å; Y348-I405 HydrophobicContact CE1-CD1 4.45Å; Y348-I405 HydrophobicContact CE1-CG1 4.03Å; Y348-I405 HydrophobicContact CE1-CG2 3.6Å; Y348-I405 HydrophobicContact CE2-CD1 4.41Å; Y348-I405 HydrophobicContact CG-CD1 3.72Å; Y348-I405 HydrophobicContact CG-CG1 3.88Å; A401-I405 HydrophobicContact CB-CD1 4.02Å; A401-I405 VanDerWaalsContact O-CB 3.27Å; A401-I405 WeakPolarHBondContact O-CB 3.4Å; A401-I405 WeakPolarHBondContact O-CD1 3.39Å; A401-I405 PolarHBondContact O-N 2.93Å; Y403-I405 VanDerWaalsContact C-N 3.34Å; Y403-I405 PolarHBondContact O-N 2.97Å; I405-S407 VanDerWaalsContact C-N 3.3Å; I405-S407 PolarHBondContact O-N 3.31Å; I405-I408 PolarHBondContact O-N 3.44Å; I405-Q409 VanDerWaalsContact CG2-CD 3.47Å; I405-Q409 HydrophobicContact CG2-CG 3.95Å; I405-Q409 VanDerWaalsContact O-CB 3.25Å; I405-Q409 WeakPolarHBondContact O-CB 3.49Å; I405-Q409 PolarHBondContact O-N 2.96Å
406	A	49.9	Very low	47.2	Very low	4 Å²	4	57.9 Å²	57.9	3%	0.033	31%	0.307	C	S	.	.	H	α-helix	trans	-62.4	-39.2	172.1	0	0	0	0	0	111.6	A402 Y403 S410 Q411 L414	A402-A406 VanDerWaalsContact O-CB 3.22Å; A402-A406 WeakPolarHBondContact O-CB 3.41Å; A402-A406 PolarHBondContact O-N 2.84Å; Y403-A406 WeakPolarHBondContact O-CA 3.29Å; Y403-A406 WeakPolarHBondContact O-CB 3.41Å; Y403-A406 PolarHBondContact O-N 3.22Å; A406-S410 PolarHBondContact O-N 3.27Å; A406-Q411 HydrophobicContact CB-CB 4.38Å; A406-Q411 PolarHBondContact O-N 2.97Å; A406-L414 HydrophobicContact CB-CD2 4.04Å
407	S	47.4	Very low	47	Very low	19 Å²	19	54.1 Å²	54.1	13%	0.133	30%	0.302	C	S	.	.	H	α-helix	trans	-65.1	-53.2	171	-55.2	0	0	0	0	112.3	Y403 L404 I405 Q409 S410 I436	Y403-S407 PolarHBondContact O-N 2.95Å; Y403-S407 PolarHBondContact O-OG 2.98Å; L404-S407 PolarHBondContact O-N 3.38Å; I405-S407 VanDerWaalsContact C-N 3.3Å; I405-S407 PolarHBondContact O-N 3.31Å; S407-Q409 PolarHBondContact O-N 3.48Å; S407-S410 PolarHBondContact O-N 3.43Å; S407-I436 WeakPolarHBondContact O-CD1 3.34Å
408	I	48.5	Very low	47.1	Very low	35 Å²	35	54.7 Å²	54.7	18%	0.179	30%	0.304	C	S	.	.	H	α-helix	trans	-64.3	-37.1	-176.2	-73.3	165.9	0	0	0	112.5	L404 I405 I441	L404-I408 HydrophobicContact CD2-CD1 3.96Å; L404-I408 HydrophobicContact CG-CD1 3.83Å; L404-I408 WeakPolarHBondContact O-CB 3.41Å; L404-I408 WeakPolarHBondContact O-CD1 3.45Å; L404-I408 WeakPolarHBondContact O-CG1 3.35Å; L404-I408 PolarHBondContact O-N 2.97Å; I405-I408 PolarHBondContact O-N 3.44Å; I408-I441 HydrophobicContact CG1-CD1 4.2Å; I408-I441 HydrophobicContact CG2-CD1 3.92Å
409	Q	47.5	Very low	47.2	Very low	48 Å²	48	58 Å²	58	22%	0.224	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.3	18.4	-177.6	-60	-176.2	-16.2	0	0	112.9	I405 S407 Q411	I405-Q409 VanDerWaalsContact CG2-CD 3.47Å; I405-Q409 HydrophobicContact CG2-CG 3.95Å; I405-Q409 VanDerWaalsContact O-CB 3.25Å; I405-Q409 WeakPolarHBondContact O-CB 3.49Å; I405-Q409 PolarHBondContact O-N 2.96Å; S407-Q409 PolarHBondContact O-N 3.48Å; Q409-Q411 PolarHBondContact O-N 2.97Å; Q409-Q411 VanDerWaalsContact O-N 3.08Å
410	S	50.3	Low	47.2	Very low	54 Å²	54	54 Å²	54	38%	0.378	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	44.6	41.6	-179.5	-57.1	0	0	0	0	114	A406 S407 H412	A406-S410 PolarHBondContact O-N 3.27Å; S407-S410 PolarHBondContact O-N 3.43Å; S410-H412 PolarHBondContact O-N 3.16Å
411	Q	52.4	Low	47.2	Very low	59 Å²	59	57 Å²	57	28%	0.276	30%	0.299	S	S	.	.			trans	-91.5	104.4	-171.8	-107.8	162.8	87.3	0	0	111.3	Y352 A406 Q409 K413	Y352-Q411 PolarHBondContact OH-NE2 2.87Å; A406-Q411 HydrophobicContact CB-CB 4.38Å; A406-Q411 PolarHBondContact O-N 2.97Å; Q409-Q411 PolarHBondContact O-N 2.97Å; Q409-Q411 VanDerWaalsContact O-N 3.08Å; Q411-K413 PolarHBondContact O-N 2.84Å
412	H	52.5	Low	47.2	Very low	91 Å²	91	57.6 Å²	57.6	42%	0.421	30%	0.302	S	S	.	.	S	Bend	trans	-64.2	16.8	172.2	-55.4	-75.5	0	0	0	115	S410 Q419 F420	S410-H412 PolarHBondContact O-N 3.16Å; H412-Q419 VanDerWaalsContact O-CA 3.26Å; H412-Q419 WeakPolarHBondContact O-CA 3.21Å; H412-F420 PolarHBondContact ND1-O 3.15Å; H412-F420 PolarHBondContact O-N 2.96Å
413	K	50	Low	47.2	Very low	119 Å²	119	59.1 Å²	59.1	52%	0.517	31%	0.307	S	S	.	.	B	Isolated β-bridge	trans	-146.4	125.1	177.6	-73.7	-168.3	176.5	-174.4	0	112.1	Q411 T418 Q419	Q411-K413 PolarHBondContact O-N 2.84Å; K413-T418 VanDerWaalsContact CA-O 3.29Å; K413-T418 WeakPolarHBondContact CA-O 3.2Å; K413-Q419 HydrophobicContact CG-CG 4.04Å
414	L	49.6	Very low	46.9	Very low	34 Å²	34	59.8 Å²	59.8	18%	0.178	31%	0.313	C	S	.	.			trans	-75.1	164.8	165.1	-82	178.9	0	0	0	111.7	A406 D416 G417 T418 F420	A406-L414 HydrophobicContact CB-CD2 4.04Å; L414-D416 WeakPolarHBondContact CB-OD1 3.37Å; L414-D416 PolarHBondContact O-N 2.99Å; L414-D416 VanDerWaalsContact O-N 3.08Å; L414-G417 PolarHBondContact O-N 3.29Å; L414-T418 PolarHBondContact N-O 2.93Å; L414-F420 HydrophobicContact CB-CE2 3.95Å; L414-F420 HydrophobicContact CD1-CD2 4.48Å; L414-F420 HydrophobicContact CD1-CE2 3.45Å; L414-F420 VanDerWaalsContact CD1-CE2 3.45Å; L414-F420 HydrophobicContact CD1-CZ 3.62Å; L414-F420 HydrophobicContact CG-CD2 4.16Å; L414-F420 HydrophobicContact CG-CE2 3.46Å; L414-F420 VanDerWaalsContact CG-CE2 3.46Å; L414-F420 HydrophobicContact CG-CZ 4.17Å
415	P	42.4	Very low	46.6	Very low	103 Å²	103	59.2 Å²	59.2	67%	0.669	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-14.8	179.6	-26.1	36.3	0	0	0	116.1	A402	A402-P415 HydrophobicContact CB-CG 4.02Å
416	D	43.4	Very low	46.1	Very low	118 Å²	118	63.2 Å²	63.2	63%	0.631	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.7	-14.9	173.5	55.1	26.6	0	0	0	113.7	L414 T418	L414-D416 WeakPolarHBondContact CB-OD1 3.37Å; L414-D416 PolarHBondContact O-N 2.99Å; L414-D416 VanDerWaalsContact O-N 3.08Å; D416-T418 VanDerWaalsContact CG-OG1 3.32Å; D416-T418 VanDerWaalsContact OD1-CB 3.26Å; D416-T418 WeakPolarHBondContact OD1-CB 3.46Å; D416-T418 PolarHBondContact OD1-N 3.33Å; D416-T418 PolarHBondContact OD1-OG1 3.02Å
417	G	38.9	Very low	45.6	Very low	43 Å²	43	67.8 Å²	67.8	44%	0.443	36%	0.361	S	S	.	.	S	Bend	trans	107.1	-9.4	-178.5	0	0	0	0	0	115.3	L414	L414-G417 PolarHBondContact O-N 3.29Å
418	T	43.2	Very low	45.3	Very low	44 Å²	44	73.5 Å²	73.5	27%	0.27	38%	0.383	S	S	.	.			trans	-63.8	136.1	-177	-47.1	0	0	0	0	111.4	K413 L414 D416 F420	K413-T418 VanDerWaalsContact CA-O 3.29Å; K413-T418 WeakPolarHBondContact CA-O 3.2Å; L414-T418 PolarHBondContact N-O 2.93Å; D416-T418 VanDerWaalsContact CG-OG1 3.32Å; D416-T418 VanDerWaalsContact OD1-CB 3.26Å; D416-T418 WeakPolarHBondContact OD1-CB 3.46Å; D416-T418 PolarHBondContact OD1-N 3.33Å; D416-T418 PolarHBondContact OD1-OG1 3.02Å; T418-F420 HydrophobicContact CG2-CE1 4.19Å; T418-F420 HydrophobicContact CG2-CE2 3.71Å; T418-F420 HydrophobicContact CG2-CZ 3.41Å; T418-F420 VanDerWaalsContact CG2-CZ 3.41Å; T418-F420 WeakPolarHBondContact O-CD2 3.45Å; T418-F420 VanDerWaalsContact O-CE2 3.23Å; T418-F420 WeakPolarHBondContact O-CE2 3.42Å
419	Q	46.2	Very low	44.6	Very low	104 Å²	104	79.1 Å²	79.1	49%	0.486	41%	0.407	S	S	.	.	B	Isolated β-bridge	trans	-101.3	140.5	-175	-65.3	-167.5	-98	0	0	113.8	H412 K413 D474	H412-Q419 VanDerWaalsContact O-CA 3.26Å; H412-Q419 WeakPolarHBondContact O-CA 3.21Å; K413-Q419 HydrophobicContact CG-CG 4.04Å; Q419-D474 WeakPolarHBondContact O-CA 3.31Å; Q419-D474 WeakPolarHBondContact O-CB 3.29Å
420	F	46.1	Very low	43.9	Very low	13 Å²	13	79.9 Å²	79.9	6%	0.057	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	152.1	-174.9	-57.8	-85.5	0	0	0	113.8	H412 L414 T418 L472 I473 D474 R480	H412-F420 PolarHBondContact ND1-O 3.15Å; H412-F420 PolarHBondContact O-N 2.96Å; L414-F420 HydrophobicContact CB-CE2 3.95Å; L414-F420 HydrophobicContact CD1-CD2 4.48Å; L414-F420 HydrophobicContact CD1-CE2 3.45Å; L414-F420 VanDerWaalsContact CD1-CE2 3.45Å; L414-F420 HydrophobicContact CD1-CZ 3.62Å; L414-F420 HydrophobicContact CG-CD2 4.16Å; L414-F420 HydrophobicContact CG-CE2 3.46Å; L414-F420 VanDerWaalsContact CG-CE2 3.46Å; L414-F420 HydrophobicContact CG-CZ 4.17Å; T418-F420 HydrophobicContact CG2-CE1 4.19Å; T418-F420 HydrophobicContact CG2-CE2 3.71Å; T418-F420 HydrophobicContact CG2-CZ 3.41Å; T418-F420 VanDerWaalsContact CG2-CZ 3.41Å; T418-F420 WeakPolarHBondContact O-CD2 3.45Å; T418-F420 VanDerWaalsContact O-CE2 3.23Å; T418-F420 WeakPolarHBondContact O-CE2 3.42Å; F420-L472 HydrophobicContact CB-CD2 4.31Å; F420-L472 HydrophobicContact CD1-CB 4.32Å; F420-I473 WeakPolarHBondContact CA-O 3.3Å; F420-D474 HydrophobicContact CD1-CB 3.66Å; F420-D474 HydrophobicContact CE1-CB 3.55Å; F420-D474 HydrophobicContact CZ-CB 4.41Å; F420-R480 HydrophobicContact CD1-CG 4.34Å; F420-R480 HydrophobicContact CE1-CG 3.55Å; F420-R480 HydrophobicContact CZ-CG 4.31Å
421	R	46.8	Very low	43.4	Very low	164 Å²	164	79.4 Å²	79.4	62%	0.619	41%	0.409	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.5	144	164.2	-65.2	179.9	177	169.2	-1.3	109.3	I473	R421-I473 PolarHBondContact N-O 3.04Å; R421-I473 PolarHBondContact O-N 2.67Å
422	L	45	Very low	42.6	Very low	21 Å²	21	81.1 Å²	81.1	11%	0.11	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	139.3	159.9	-83.4	78.7	0	0	0	108.3	L431 I436 P470 L472	L422-L431 HydrophobicContact CB-CB 3.72Å; L422-L431 HydrophobicContact CB-CD1 3.97Å; L422-L431 HydrophobicContact CB-CG 4.46Å; L422-L431 HydrophobicContact CD2-CD1 4.27Å; L422-L431 PolarHBondContact O-N 2.99Å; L422-I436 HydrophobicContact CD2-CD1 4.33Å; L422-P470 HydrophobicContact CD2-CB 4.04Å; L422-P470 HydrophobicContact CD2-CG 4.08Å; L422-P470 HydrophobicContact CG-CB 4.5Å; L422-L472 HydrophobicContact CD1-CD2 3.48Å; L422-L472 VanDerWaalsContact CD1-CD2 3.48Å; L422-L472 HydrophobicContact CG-CD2 3.79Å
423	I	47.9	Very low	41.6	Very low	48 Å²	48	87.5 Å²	87.5	25%	0.246	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	135.4	167.4	-55.9	-167.8	0	0	0	108.6	T471 I473	I423-T471 PolarHBondContact N-O 2.71Å; I423-I473 HydrophobicContact CD1-CB 4.36Å; I423-I473 HydrophobicContact CD1-CD1 3.77Å; I423-I473 HydrophobicContact CD1-CG1 4.16Å; I423-I473 HydrophobicContact CG1-CD1 4.47Å; I423-I473 HydrophobicContact CG1-CG1 4.43Å
424	N	41.4	Very low	40.6	Very low	52 Å²	52	86.2 Å²	86.2	28%	0.278	44%	0.444	S	S	.	.			trans	-81.3	119.3	166.4	-177.3	7.1	0	0	0	108.5	S426 N427 K428 L431	N424-S426 VanDerWaalsContact C-N 3.28Å; N424-S426 PolarHBondContact ND2-OG 3.49Å; N424-S426 PolarHBondContact O-N 2.91Å; N424-S426 PolarHBondContact OD1-N 2.74Å; N424-S426 PolarHBondContact OD1-OG 2.77Å; N424-N427 PolarHBondContact O-N 3.36Å; N424-K428 PolarHBondContact O-N 3Å; N424-L431 HydrophobicContact CB-CD1 3.83Å; N424-L431 HydrophobicContact CB-CD2 3.95Å; N424-L431 HydrophobicContact CB-CG 3.78Å
425	Q	40.7	Very low	39.7	Very low	64 Å²	64	92.9 Å²	92.9	30%	0.299	47%	0.471	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-43.1	179.3	-67.5	-176.1	-18.1	0	0	111.3	N427 T468 T471	Q425-N427 VanDerWaalsContact C-N 3.28Å; Q425-N427 PolarHBondContact O-N 3.38Å; Q425-T468 PolarHBondContact OE1-OG1 3Å; Q425-T471 PolarHBondContact NE2-OG1 2.9Å
426	S	37.7	Very low	39.2	Very low	90 Å²	90	89.8 Å²	89.8	63%	0.629	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-26.2	-175.8	75.3	0	0	0	0	114.8	N424	N424-S426 VanDerWaalsContact C-N 3.28Å; N424-S426 PolarHBondContact ND2-OG 3.49Å; N424-S426 PolarHBondContact O-N 2.91Å; N424-S426 PolarHBondContact OD1-N 2.74Å; N424-S426 PolarHBondContact OD1-OG 2.77Å
427	N	40.9	Very low	38.7	Very low	101 Å²	101	88.9 Å²	88.9	54%	0.54	44%	0.444	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.1	-7.1	-167	-70.7	20.8	0	0	0	114.2	N424 Q425 K429	N424-N427 PolarHBondContact O-N 3.36Å; Q425-N427 VanDerWaalsContact C-N 3.28Å; Q425-N427 PolarHBondContact O-N 3.38Å; N427-K429 PolarHBondContact O-N 3.43Å
428	K	39.2	Very low	38.5	Very low	138 Å²	138	92.1 Å²	92.1	60%	0.6	45%	0.451	S	S	*	.			trans	52.3	1.5	-177.5	-65.8	175.3	-179.4	171	0	116.9	N424 D554	N424-K428 PolarHBondContact O-N 3Å; K428-D554 WeakPolarHBondContact CE-OD2 3.48Å; K428-D554 IonicContact NZ-OD2 2.78Å; K428-D554 PolarHBondContact NZ-OD2 3.03Å
429	K	34.4	Very low	38.1	Very low	153 Å²	153	95.5 Å²	95.5	67%	0.665	47%	0.467	S	S	*	.	S	Bend	trans	-81.7	146.5	173.2	-70.7	171.6	-178.1	174.3	0	110.5	N427	N427-K429 PolarHBondContact O-N 3.43Å
430	P	33.5	Very low	37.5	Very low	64 Å²	64	95.4 Å²	95.4	42%	0.416	47%	0.465	S	S	.	.	B	Isolated β-bridge	trans	-62.3	139.7	171.4	28.5	-35	0	0	0	110.4	D432	P430-D432 WeakPolarHBondContact CG-OD2 3.32Å; P430-D432 PolarHBondContact O-N 2.95Å
431	L	38.8	Very low	36.9	Very low	45 Å²	45	96 Å²	96	24%	0.236	47%	0.468	C	S	.	.			trans	-81.8	53	179.3	-84	169.3	0	0	0	111.8	L422 N424 Y433 V434 P470	L422-L431 HydrophobicContact CB-CB 3.72Å; L422-L431 HydrophobicContact CB-CD1 3.97Å; L422-L431 HydrophobicContact CB-CG 4.46Å; L422-L431 HydrophobicContact CD2-CD1 4.27Å; L422-L431 PolarHBondContact O-N 2.99Å; N424-L431 HydrophobicContact CB-CD1 3.83Å; N424-L431 HydrophobicContact CB-CD2 3.95Å; N424-L431 HydrophobicContact CB-CG 3.78Å; L431-Y433 PolarHBondContact O-N 3.21Å; L431-Y433 VanDerWaalsContact O-N 3.17Å; L431-V434 HydrophobicContact CD2-CB 3.91Å; L431-V434 HydrophobicContact CD2-CG2 3.4Å; L431-V434 VanDerWaalsContact CD2-CG2 3.4Å; L431-P470 HydrophobicContact CD1-CB 4.24Å
432	D	37.2	Very low	36.3	Very low	94 Å²	94	92.1 Å²	92.1	50%	0.503	46%	0.46	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-8.3	-175.5	-66	-33.4	0	0	0	113.6	P430	P430-D432 WeakPolarHBondContact CG-OD2 3.32Å; P430-D432 PolarHBondContact O-N 2.95Å
433	Y	29.5	Very low	35.8	Very low	226 Å²	226	97.8 Å²	97.8	89%	0.886	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	-138.7	7.5	-170.3	-80.1	-79.4	0	0	0	117.6	L431	L431-Y433 PolarHBondContact O-N 3.21Å; L431-Y433 VanDerWaalsContact O-N 3.17Å
434	V	29.6	Very low	35.2	Very low	92 Å²	92	98.7 Å²	98.7	56%	0.558	49%	0.494	S	S	*	.			trans	-89.1	116.9	177.8	175.8	0	0	0	0	111.6	L431 I436	L431-V434 HydrophobicContact CD2-CB 3.91Å; L431-V434 HydrophobicContact CD2-CG2 3.4Å; L431-V434 VanDerWaalsContact CD2-CG2 3.4Å; V434-I436 PolarHBondContact O-N 3.04Å
435	K	31	Very low	34.9	Very low	173 Å²	173	100.3 Å²	100.3	75%	0.752	50%	0.501	S	S	*	.			trans	-67.5	114.8	164.7	-81.1	-177.8	176	174.6	0	109.8	N437	K435-N437 VanDerWaalsContact C-N 3.25Å; K435-N437 PolarHBondContact O-N 2.99Å
436	I	31.7	Very low	34.5	Very low	39 Å²	39	101.4 Å²	101.4	20%	0.2	51%	0.509	C	S	.	.			trans	-73.9	85.5	165.5	-58.1	169.6	0	0	0	107.4	S407 L422 V434 F440 I441	S407-I436 WeakPolarHBondContact O-CD1 3.34Å; L422-I436 HydrophobicContact CD2-CD1 4.33Å; V434-I436 PolarHBondContact O-N 3.04Å; I436-F440 HydrophobicContact CG2-CD1 4.11Å; I436-I441 HydrophobicContact CG2-CD1 4.1Å; I436-I441 HydrophobicContact CG2-CG1 3.9Å
437	N	33.3	Very low	34.2	Very low	98 Å²	98	102.8 Å²	102.8	52%	0.524	51%	0.51	S	S	.	.			trans	-72.4	153.8	174.7	-72.7	-21.6	0	0	0	110.3	K435 L439 F440	K435-N437 VanDerWaalsContact C-N 3.25Å; K435-N437 PolarHBondContact O-N 2.99Å; N437-L439 PolarHBondContact O-N 2.66Å; N437-F440 WeakPolarHBondContact O-CB 3.29Å; N437-F440 PolarHBondContact O-N 2.84Å
438	N	33.5	Very low	33.6	Very low	111 Å²	111	103.3 Å²	103.3	59%	0.594	52%	0.519	S	S	*	.	H	α-helix	trans	-53.6	-25.9	178.3	-68.6	-9.8	0	0	0	113.9	I441 N442	N438-I441 PolarHBondContact O-N 3.33Å; N438-N442 WeakPolarHBondContact O-CB 3.13Å; N438-N442 VanDerWaalsContact O-CG 3.25Å; N438-N442 PolarHBondContact O-N 3.32Å; N438-N442 PolarHBondContact O-OD1 2.96Å
439	L	35.4	Very low	33	Very low	116 Å²	116	101.8 Å²	101.8	61%	0.607	53%	0.525	S	S	*	.	H	α-helix	trans	-59.5	-45.2	175.1	-156	77.7	0	0	0	112	N437 I441 N442 Q443	N437-L439 PolarHBondContact O-N 2.66Å; L439-I441 VanDerWaalsContact C-N 3.29Å; L439-I441 PolarHBondContact O-N 2.77Å; L439-N442 PolarHBondContact O-N 2.94Å; L439-Q443 WeakPolarHBondContact O-CB 3.43Å; L439-Q443 VanDerWaalsContact O-CG 3.28Å; L439-Q443 WeakPolarHBondContact O-CG 3.43Å; L439-Q443 PolarHBondContact O-N 3.14Å; L439-Q443 PolarHBondContact O-OE1 3.36Å
440	F	34.6	Very low	32.9	Very low	102 Å²	102	100.8 Å²	100.8	45%	0.447	53%	0.527	S	S	.	.	H	α-helix	trans	-64.6	-34.7	177.3	-171.8	-90.5	0	0	0	111.6	I436 N437 T444	I436-F440 HydrophobicContact CG2-CD1 4.11Å; N437-F440 WeakPolarHBondContact O-CB 3.29Å; N437-F440 PolarHBondContact O-N 2.84Å; F440-T444 WeakPolarHBondContact O-CB 3.26Å; F440-T444 PolarHBondContact O-N 2.9Å; F440-T444 PolarHBondContact O-OG1 3.37Å
441	I	32.9	Very low	32.7	Very low	25 Å²	25	106.7 Å²	106.7	13%	0.128	55%	0.546	C	S	.	.	H	α-helix	trans	-69.8	-50.6	176.4	-62	177	0	0	0	110	I408 I436 N438 L439 Q443 T444 I445	I408-I441 HydrophobicContact CG1-CD1 4.2Å; I408-I441 HydrophobicContact CG2-CD1 3.92Å; I436-I441 HydrophobicContact CG2-CD1 4.1Å; I436-I441 HydrophobicContact CG2-CG1 3.9Å; N438-I441 PolarHBondContact O-N 3.33Å; L439-I441 VanDerWaalsContact C-N 3.29Å; L439-I441 PolarHBondContact O-N 2.77Å; I441-Q443 PolarHBondContact O-N 3.11Å; I441-T444 PolarHBondContact O-N 3.4Å; I441-I445 HydrophobicContact CG2-CD1 3.73Å; I441-I445 WeakPolarHBondContact O-CB 3.3Å; I441-I445 VanDerWaalsContact O-CG1 3.31Å; I441-I445 WeakPolarHBondContact O-CG1 3.47Å; I441-I445 PolarHBondContact O-N 3.45Å
442	N	34	Very low	32.1	Very low	83 Å²	83	111.7 Å²	111.7	44%	0.444	57%	0.572	S	S	.	*	H	α-helix	trans	-61.2	-45.3	179.6	-67.5	3.1	0	0	0	111.7	N438 L439 T444 I445 N446	N438-N442 WeakPolarHBondContact O-CB 3.13Å; N438-N442 VanDerWaalsContact O-CG 3.25Å; N438-N442 PolarHBondContact O-N 3.32Å; N438-N442 PolarHBondContact O-OD1 2.96Å; L439-N442 PolarHBondContact O-N 2.94Å; N442-T444 PolarHBondContact O-N 2.81Å; N442-I445 PolarHBondContact O-N 3.1Å; N442-N446 VanDerWaalsContact O-CB 3.26Å; N442-N446 WeakPolarHBondContact O-CB 3.44Å; N442-N446 PolarHBondContact O-N 3.01Å; N442-N446 PolarHBondContact O-OD1 2.96Å
443	Q	35	Very low	31.8	Very low	140 Å²	140	114.1 Å²	114.1	65%	0.654	59%	0.585	S	S	*	*	H	α-helix	trans	-66.3	-22.5	179.8	-72.7	171.7	-39.5	0	0	113.6	L439 I441	L439-Q443 WeakPolarHBondContact O-CB 3.43Å; L439-Q443 VanDerWaalsContact O-CG 3.28Å; L439-Q443 WeakPolarHBondContact O-CG 3.43Å; L439-Q443 PolarHBondContact O-N 3.14Å; L439-Q443 PolarHBondContact O-OE1 3.36Å; I441-Q443 PolarHBondContact O-N 3.11Å
444	T	34.9	Very low	31.7	Very low	66 Å²	66	109.1 Å²	109.1	41%	0.405	57%	0.573	S	S	.	*	T	Hydrogen-bonded Turn	trans	-97	-1.4	178.9	-42.9	0	0	0	0	113	F440 I441 N442 L469	F440-T444 WeakPolarHBondContact O-CB 3.26Å; F440-T444 PolarHBondContact O-N 2.9Å; F440-T444 PolarHBondContact O-OG1 3.37Å; I441-T444 PolarHBondContact O-N 3.4Å; N442-T444 PolarHBondContact O-N 2.81Å; T444-L469 HydrophobicContact CG2-CD2 3.85Å; T444-L469 HydrophobicContact CG2-CG 4.23Å
445	I	34.2	Very low	31.7	Very low	86 Å²	86	111.9 Å²	111.9	44%	0.441	58%	0.58	S	S	.	*	T	Hydrogen-bonded Turn	trans	-126.8	-30.9	-174.7	-61.8	178.6	0	0	0	112.8	I441 N442	I441-I445 HydrophobicContact CG2-CD1 3.73Å; I441-I445 WeakPolarHBondContact O-CB 3.3Å; I441-I445 VanDerWaalsContact O-CG1 3.31Å; I441-I445 WeakPolarHBondContact O-CG1 3.47Å; I441-I445 PolarHBondContact O-N 3.45Å; N442-I445 PolarHBondContact O-N 3.1Å
446	N	33.2	Very low	31.6	Very low	87 Å²	87	109.4 Å²	109.4	47%	0.465	58%	0.575	S	S	.	*	S	Bend	trans	-107.6	4.4	-157.4	-63.3	27.2	0	0	0	117.1	N442	N442-N446 VanDerWaalsContact O-CB 3.26Å; N442-N446 WeakPolarHBondContact O-CB 3.44Å; N442-N446 PolarHBondContact O-N 3.01Å; N442-N446 PolarHBondContact O-OD1 2.96Å
447	D	31.6	Very low	31.5	Very low	120 Å²	120	114.7 Å²	114.7	64%	0.642	60%	0.603	S	S	*	*			trans	-137.4	78	-176.5	-150.1	-25	0	0	0	115.4
448	P	28.6	Very low	31.2	Very low	112 Å²	112	115.7 Å²	115.7	73%	0.727	61%	0.613	S	S	*	*			trans	-83.2	108.1	158.5	32.8	-28	0	0	0	110.2
449	S	27	Very low	30.8	Very low	105 Å²	105	117.9 Å²	117.9	73%	0.734	63%	0.625	S	S	*	*			trans	84.5	93	169.9	75.1	0	0	0	0	119.6
450	N	31.1	Very low	30.4	Very low	132 Å²	132	121.4 Å²	121.4	71%	0.706	64%	0.638	S	S	*	*			trans	-153.8	114.3	140.8	-86.6	-57.7	0	0	0	108.6
451	K	30.3	Very low	29.9	Very low	188 Å²	188	123.4 Å²	123.4	82%	0.817	66%	0.659	S	S	*	*				67.5	80	79.6	-73.9	-170.2	173.8	-178.7	0	115.7
452	I	25.6	Very low	29.7	Very low	151 Å²	151	127.5 Å²	127.5	77%	0.774	69%	0.69	S	S	*	*				24.5	119.7	128.9	-45.6	169.3	0	0	0	117
453	N	30.2	Very low	29.4	Very low	144 Å²	144	131 Å²	131	77%	0.77	71%	0.709	S	S	*	*				-172.7	140.6	125.9	-96.8	-30.4	0	0	0	114.6
454	N	27.4	Very low	28.9	Very low	121 Å²	121	128.1 Å²	128.1	65%	0.647	72%	0.716	S	S	*	*			trans	-16	147.8	165	-48.3	-21.2	0	0	0	118
455	H	30.9	Very low	28.6	Very low	151 Å²	151	129.1 Å²	129.1	70%	0.699	73%	0.726	S	S	*	*				-161.4	148.4	53.4	-100.2	-71.1	0	0	0	116.2
456	N	29.2	Very low	28.2	Very low	121 Å²	121	132.7 Å²	132.7	65%	0.647	75%	0.745	S	S	*	*			trans	63.5	125.6	141.8	-58.7	-3.2	0	0	0	122.3
457	N	28	Very low	28	Very low	149 Å²	149	138.8 Å²	138.8	80%	0.797	76%	0.763	S	S	*	*			trans	69.7	126.8	143.3	-60.4	-1.2	0	0	0	118.2
458	T	28.2	Very low	28.3	Very low	119 Å²	119	137.3 Å²	137.3	73%	0.73	76%	0.759	S	S	*	*			cis	-147.8	145.9	0.6	49.9	0	0	0	0	112.1
459	N	24.8	Very low	28.7	Very low	157 Å²	157	136.5 Å²	136.5	84%	0.84	75%	0.748	S	S	*	*			trans	36	81.3	149.2	-60.8	4.2	0	0	0	119.4
460	Q	27.5	Very low	29.3	Very low	190 Å²	190	133 Å²	133	89%	0.888	72%	0.722	S	S	*	*			trans	-160.7	138.9	135.1	-111.4	166.6	31.7	0	0	110.4	S462	Q460-S462 PolarHBondContact O-N 2.88Å
461	T	24.2	Very low	30	Very low	144 Å²	144	127.9 Å²	127.9	88%	0.883	70%	0.696	S	S	*	*			trans	-80.2	96.7	-172.3	48.3	0	0	0	0	111.8
462	S	28.6	Very low	30.6	Very low	111 Å²	111	119.2 Å²	119.2	78%	0.776	66%	0.659	S	S	*	*			trans	-103.8	101.7	174.7	44.4	0	0	0	0	111.5	Q460 G464	Q460-S462 PolarHBondContact O-N 2.88Å; S462-G464 PolarHBondContact O-N 2.84Å
463	N	27.9	Very low	31.6	Very low	157 Å²	157	113.7 Å²	113.7	84%	0.84	63%	0.63	S	S	*	*			trans	-59.1	132.9	172.5	-73.1	-2.8	0	0	0	110.2	S465	N463-S465 PolarHBondContact O-N 2.81Å; N463-S465 VanDerWaalsContact O-N 3.08Å
464	G	24.2	Very low	32.3	Very low	79 Å²	79	107.4 Å²	107.4	81%	0.814	60%	0.597	S	S	*	*			trans	-61.3	109.6	-173.1	0	0	0	0	0	112.6	S462 L466	S462-G464 PolarHBondContact O-N 2.84Å; G464-L466 PolarHBondContact O-N 3.36Å; G464-L466 VanDerWaalsContact O-N 3.09Å
465	S	28	Very low	33	Very low	87 Å²	87	109.2 Å²	109.2	61%	0.608	60%	0.595	S	S	*	*			trans	-70.1	106.2	-179.8	61.1	0	0	0	0	111.2	N463 Y467	N463-S465 PolarHBondContact O-N 2.81Å; N463-S465 VanDerWaalsContact O-N 3.08Å; S465-Y467 PolarHBondContact O-N 2.98Å
466	L	26.5	Very low	33.1	Very low	161 Å²	161	103.5 Å²	103.5	84%	0.843	57%	0.569	S	S	*	*			trans	-59.2	119.1	166.9	-137.4	77.9	0	0	0	108.5	G464 T468	G464-L466 PolarHBondContact O-N 3.36Å; G464-L466 VanDerWaalsContact O-N 3.09Å; L466-T468 PolarHBondContact O-N 3.04Å
467	Y	28.4	Very low	33.5	Very low	215 Å²	215	102 Å²	102	84%	0.843	57%	0.568	S	S	*	*			trans	-67.5	94.1	-171	-69.2	-81.5	0	0	0	112.7	S465	S465-Y467 PolarHBondContact O-N 2.98Å
468	T	36.7	Very low	34	Very low	90 Å²	90	95.3 Å²	95.3	55%	0.552	53%	0.533	S	S	*	.	P	Polyproline II helix	trans	-80.2	125.1	179	52.3	0	0	0	0	112.3	Q425 L466	Q425-T468 PolarHBondContact OE1-OG1 3Å; L466-T468 PolarHBondContact O-N 3.04Å
469	L	38.1	Very low	34.7	Very low	95 Å²	95	90.4 Å²	90.4	50%	0.497	50%	0.503	S	S	.	.	P	Polyproline II helix	trans	-65.7	142.9	173	-81.3	157.7	0	0	0	111.5	T444 T471	T444-L469 HydrophobicContact CG2-CD2 3.85Å; T444-L469 HydrophobicContact CG2-CG 4.23Å; L469-T471 PolarHBondContact O-N 3.11Å
470	P	40.1	Very low	35.5	Very low	30 Å²	30	85.5 Å²	85.5	20%	0.195	47%	0.472	C	S	.	.	P	Polyproline II helix	trans	-63	134	-177.1	25.4	-34.3	0	0	0	112.2	L422 L431	L422-P470 HydrophobicContact CD2-CB 4.04Å; L422-P470 HydrophobicContact CD2-CG 4.08Å; L422-P470 HydrophobicContact CG-CB 4.5Å; L431-P470 HydrophobicContact CD1-CB 4.24Å
471	T	45.9	Very low	36.4	Very low	25 Å²	25	78.4 Å²	78.4	15%	0.153	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	132.6	-180	-46.2	0	0	0	0	110.5	I423 Q425 L469 I473 V479	I423-T471 PolarHBondContact N-O 2.71Å; Q425-T471 PolarHBondContact NE2-OG1 2.9Å; L469-T471 PolarHBondContact O-N 3.11Å; T471-I473 HydrophobicContact CG2-CG1 4.18Å; T471-V479 HydrophobicContact CG2-CB 4.33Å; T471-V479 HydrophobicContact CG2-CG1 3.66Å; T471-V479 HydrophobicContact CG2-CG2 3.93Å
472	L	43.3	Very low	37.1	Very low	6 Å²	6	78.8 Å²	78.8	3%	0.031	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	123.1	169.9	-72.3	-176.2	0	0	0	109.5	Y403 F420 L422 R480	Y403-L472 HydrophobicContact CD2-CD1 4.18Å; Y403-L472 HydrophobicContact CE1-CD1 4.32Å; Y403-L472 HydrophobicContact CE2-CB 4.37Å; Y403-L472 HydrophobicContact CE2-CD1 3.71Å; Y403-L472 HydrophobicContact CE2-CG 4.37Å; F420-L472 HydrophobicContact CB-CD2 4.31Å; F420-L472 HydrophobicContact CD1-CB 4.32Å; L422-L472 HydrophobicContact CD1-CD2 3.48Å; L422-L472 VanDerWaalsContact CD1-CD2 3.48Å; L422-L472 HydrophobicContact CG-CD2 3.79Å; L472-R480 PolarHBondContact O-N 2.76Å
473	I	45.3	Very low	37.8	Very low	36 Å²	36	77.7 Å²	77.7	19%	0.185	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	129.9	175.4	-54.2	-157.3	0	0	0	109.3	F420 R421 I423 T471 S477 V478 V479	F420-I473 WeakPolarHBondContact CA-O 3.3Å; R421-I473 PolarHBondContact N-O 3.04Å; R421-I473 PolarHBondContact O-N 2.67Å; I423-I473 HydrophobicContact CD1-CB 4.36Å; I423-I473 HydrophobicContact CD1-CD1 3.77Å; I423-I473 HydrophobicContact CD1-CG1 4.16Å; I423-I473 HydrophobicContact CG1-CD1 4.47Å; I423-I473 HydrophobicContact CG1-CG1 4.43Å; T471-I473 HydrophobicContact CG2-CG1 4.18Å; I473-S477 VanDerWaalsContact CG2-C 3.41Å; I473-V478 CarbonylContact C-O 3.6Å; I473-V478 VanDerWaalsContact CA-O 3.31Å; I473-V478 WeakPolarHBondContact CA-O 3.4Å; I473-V479 HydrophobicContact CD1-CG2 3.75Å; I473-V479 HydrophobicContact CG1-CG2 4.01Å
474	D	45.9	Very low	38.4	Very low	12 Å²	12	71.1 Å²	71.1	6%	0.064	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	173.5	176.7	87.1	21.3	0	0	0	112.9	Q419 F420 N476 S477 V478 R480	Q419-D474 WeakPolarHBondContact O-CA 3.31Å; Q419-D474 WeakPolarHBondContact O-CB 3.29Å; F420-D474 HydrophobicContact CD1-CB 3.66Å; F420-D474 HydrophobicContact CE1-CB 3.55Å; F420-D474 HydrophobicContact CZ-CB 4.41Å; D474-N476 PolarHBondContact O-N 3.46Å; D474-N476 VanDerWaalsContact O-N 3.11Å; D474-N476 WeakPolarHBondContact OD1-CA 3.47Å; D474-N476 WeakPolarHBondContact OD1-CB 3.3Å; D474-N476 PolarHBondContact OD1-N 2.86Å; D474-S477 PolarHBondContact O-N 2.7Å; D474-V478 PolarHBondContact N-O 3.28Å; D474-V478 WeakPolarHBondContact OD1-CB 3.48Å; D474-R480 IonicContact OD2-NE 3.72Å; D474-R480 IonicContact OD2-NH2 2.68Å; D474-R480 PolarHBondContact OD2-NH2 2.65Å
475	W	40.5	Very low	39.1	Very low	159 Å²	159	69.3 Å²	69.3	60%	0.602	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-12	-177.4	64	-76.7	0	0	0	115	H684	W475-H684 AromaticContact CH2-CE1 3.62Å; W475-H684 AromaticContact CH2-CG 3.96Å; W475-H684 AromaticContact CH2-ND1 3.57Å; W475-H684 AromaticContact CZ2-CE1 3.79Å; W475-H684 AromaticContact CZ2-NE2 3.77Å
476	N	33.7	Very low	39.7	Very low	31 Å²	31	71.9 Å²	71.9	17%	0.166	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.3	15.3	172.3	-60.3	-71.9	0	0	0	113	D474 V478 V541	D474-N476 PolarHBondContact O-N 3.46Å; D474-N476 VanDerWaalsContact O-N 3.11Å; D474-N476 WeakPolarHBondContact OD1-CA 3.47Å; D474-N476 WeakPolarHBondContact OD1-CB 3.3Å; D474-N476 PolarHBondContact OD1-N 2.86Å; N476-V478 VanDerWaalsContact C-N 3.27Å; N476-V478 HydrophobicContact CB-CG2 4.19Å; N476-V478 PolarHBondContact O-N 3.3Å; N476-V541 HydrophobicContact CB-CG2 4.08Å
477	S	37	Very low	40.4	Very low	88 Å²	88	69.7 Å²	69.7	62%	0.615	33%	0.333	S	S	*	.	S	Bend	trans	67.4	19.1	-174.4	-53.4	0	0	0	0	115.1	I473 D474	I473-S477 VanDerWaalsContact CG2-C 3.41Å; D474-S477 PolarHBondContact O-N 2.7Å
478	V	38.9	Very low	40.7	Very low	10 Å²	10	60.4 Å²	60.4	6%	0.061	30%	0.299	C	S	.	.			trans	-81.2	122.5	179.8	172	0	0	0	0	111.4	I473 D474 N476 C547	I473-V478 CarbonylContact C-O 3.6Å; I473-V478 VanDerWaalsContact CA-O 3.31Å; I473-V478 WeakPolarHBondContact CA-O 3.4Å; D474-V478 PolarHBondContact N-O 3.28Å; D474-V478 WeakPolarHBondContact OD1-CB 3.48Å; N476-V478 VanDerWaalsContact C-N 3.27Å; N476-V478 HydrophobicContact CB-CG2 4.19Å; N476-V478 PolarHBondContact O-N 3.3Å; V478-C547 HydrophobicContact CG1-CB 3.62Å; V478-C547 WeakPolarHBondContact CG1-SG 3.18Å
479	V	42.6	Very low	40.4	Very low	16 Å²	16	61.9 Å²	61.9	10%	0.097	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	130.5	167.9	167.2	0	0	0	0	111.2	T471 I473 C550	T471-V479 HydrophobicContact CG2-CB 4.33Å; T471-V479 HydrophobicContact CG2-CG1 3.66Å; T471-V479 HydrophobicContact CG2-CG2 3.93Å; I473-V479 HydrophobicContact CD1-CG2 3.75Å; I473-V479 HydrophobicContact CG1-CG2 4.01Å; V479-C550 HydrophobicContact CG2-CB 4.15Å; V479-C550 VanDerWaalsContact CG2-SG 3.57Å
480	R	43.2	Very low	40.3	Very low	54 Å²	54	63 Å²	63	20%	0.204	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	141.8	161.2	-50	-60.7	179.8	165.8	-7.5	108.1	Y403 F420 L472 D474 E546 C547	Y403-R480 HydrophobicContact CE2-CB 3.93Å; Y403-R480 PolarHBondContact OH-O 3.26Å; F420-R480 HydrophobicContact CD1-CG 4.34Å; F420-R480 HydrophobicContact CE1-CG 3.55Å; F420-R480 HydrophobicContact CZ-CG 4.31Å; L472-R480 PolarHBondContact O-N 2.76Å; D474-R480 IonicContact OD2-NE 3.72Å; D474-R480 IonicContact OD2-NH2 2.68Å; D474-R480 PolarHBondContact OD2-NH2 2.65Å; R480-E546 PolarHBondContact NH1-O 2.95Å; R480-C547 VanDerWaalsContact CZ-SG 3.52Å; R480-C547 PolarHBondContact NH1-SG 3.41Å; R480-C547 VanDerWaalsContact NH1-SG 3.35Å; R480-C547 PolarHBondContact NH2-SG 2.9Å
481	D	44.7	Very low	40.2	Very low	41 Å²	41	65.9 Å²	65.9	22%	0.219	31%	0.313	C	S	.	.			trans	-137.7	-171.7	-176.1	64	34.7	0	0	0	112.3	Y403 H483 G484 S548	Y403-D481 WeakPolarHBondContact OH-CA 3.27Å; D481-H483 VanDerWaalsContact C-N 3.28Å; D481-H483 PolarHBondContact O-N 3.43Å; D481-H483 VanDerWaalsContact OD1-CA 3.32Å; D481-H483 WeakPolarHBondContact OD1-CA 3.46Å; D481-H483 VanDerWaalsContact OD1-CB 3.25Å; D481-H483 WeakPolarHBondContact OD1-CB 3.31Å; D481-H483 IonicContact OD1-CD2 2.89Å; D481-H483 IonicContact OD1-CG 3.27Å; D481-H483 PolarHBondContact OD1-N 3.09Å; D481-H483 IonicContact OD2-CD2 3.34Å; D481-G484 PolarHBondContact O-N 3.01Å; D481-G484 PolarHBondContact OD1-N 3.47Å; D481-S548 PolarHBondContact OD1-OG 3.35Å; D481-S548 WeakPolarHBondContact OD2-CB 3.39Å; D481-S548 PolarHBondContact OD2-OG 3.26Å
482	R	39.6	Very low	39.5	Very low	151 Å²	151	65.7 Å²	65.7	57%	0.57	32%	0.316	S	S	*	.	S	Bend	trans	-73.3	-8.7	178.5	65.4	178	-79.4	175.6	-8.2	115.4
483	H	43.4	Very low	38.9	Very low	89 Å²	89	67.3 Å²	67.3	41%	0.412	33%	0.327	S	S	.	.	S	Bend	trans	-90.2	-29.1	176.4	-52.2	-90.7	0	0	0	110.6	D481	D481-H483 VanDerWaalsContact C-N 3.28Å; D481-H483 PolarHBondContact O-N 3.43Å; D481-H483 VanDerWaalsContact OD1-CA 3.32Å; D481-H483 WeakPolarHBondContact OD1-CA 3.46Å; D481-H483 VanDerWaalsContact OD1-CB 3.25Å; D481-H483 WeakPolarHBondContact OD1-CB 3.31Å; D481-H483 IonicContact OD1-CD2 2.89Å; D481-H483 IonicContact OD1-CG 3.27Å; D481-H483 PolarHBondContact OD1-N 3.09Å; D481-H483 IonicContact OD2-CD2 3.34Å
484	G	39.8	Very low	38.4	Very low	19 Å²	19	71.2 Å²	71.2	20%	0.196	35%	0.347	C	S	.	.			trans	90.3	-173.4	173.7	0	0	0	0	0	113	D481 F486 S548	D481-G484 PolarHBondContact O-N 3.01Å; D481-G484 PolarHBondContact OD1-N 3.47Å; G484-F486 PolarHBondContact O-N 3.34Å; G484-S548 PolarHBondContact O-OG 3.47Å
485	P	40	Very low	37.6	Very low	41 Å²	41	72.9 Å²	72.9	27%	0.266	36%	0.359	S	S	.	.	S	Bend	trans	-75.3	27.7	-171.3	32.4	-36.9	0	0	0	114.5	E546	P485-E546 WeakPolarHBondContact CB-O 3.43Å
486	F	41	Very low	37.2	Very low	141 Å²	141	71.4 Å²	71.4	62%	0.618	36%	0.359	S	S	*	.	S	Bend	trans	-139.4	126.1	-169.7	-56.9	-62.6	0	0	0	111.6	G484	G484-F486 PolarHBondContact O-N 3.34Å
487	W	40.4	Very low	37.3	Very low	115 Å²	115	70.2 Å²	70.2	44%	0.436	35%	0.352	S	S	.	.			trans	45.6	91.4	161.9	-50.4	119.4	0	0	0	114.9	Y491 P493 R588	W487-Y491 WeakPolarHBondContact CA-O 3.42Å; W487-Y491 VanDerWaalsContact CB-O 3.3Å; W487-Y491 WeakPolarHBondContact CB-O 3.22Å; W487-P493 HydrophobicContact CH2-CB 3.81Å; W487-P493 HydrophobicContact CZ2-CB 3.72Å; W487-P493 HydrophobicContact CZ2-CG 4.05Å; W487-P493 HydrophobicContact CZ3-CB 4.47Å; W487-R588 HydrophobicContact CE3-CB 3.96Å; W487-R588 HydrophobicContact CZ3-CB 3.77Å; W487-R588 HydrophobicContact CZ3-CG 4.47Å
488	P	34	Very low	37.6	Very low	20 Å²	20	68 Å²	68	13%	0.13	33%	0.334	C	S	.	.			trans	-58.7	161.4	173.8	20.9	-25.3	0	0	0	111.2	N490 Y491 P549	P488-N490 PolarHBondContact O-N 3.21Å; P488-Y491 HydrophobicContact CB-CD2 4.33Å; P488-Y491 HydrophobicContact CG-CD2 3.9Å; P488-Y491 HydrophobicContact CG-CG 4.07Å; P488-Y491 PolarHBondContact O-N 3.27Å; P488-P549 HydrophobicContact CB-CG 3.67Å; P488-P549 HydrophobicContact CG-CG 3.52Å
489	H	31.4	Very low	37.4	Very low	120 Å²	120	72.7 Å²	72.7	56%	0.556	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.3	131.6	-179.4	-126.8	103.1	0	0	0	110.4	Y329 Y491	Y329-H489 AromaticContact CE1-CE1 3.95Å; Y329-H489 AromaticContact CE1-NE2 3.19Å; Y329-H489 WeakPolarHBondContact CE1-NE2 3.32Å; Y329-H489 AromaticContact CE2-NE2 3.71Å; Y329-H489 AromaticContact CZ-NE2 2.75Å; Y329-H489 PolarHBondContact OH-NE2 3.07Å; H489-Y491 VanDerWaalsContact O-CD2 3.3Å; H489-Y491 WeakPolarHBondContact O-CD2 3.08Å; H489-Y491 PolarHBondContact O-N 2.8Å
490	N	35.2	Very low	37.1	Very low	120 Å²	120	75.8 Å²	75.8	64%	0.642	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.7	-16.3	-173.5	-49	-10.7	0	0	0	116.7	P488 G492 C495	P488-N490 PolarHBondContact O-N 3.21Å; N490-G492 PolarHBondContact O-N 3.48Å; N490-C495 PolarHBondContact O-SG 3.24Å
491	Y	38.9	Very low	37.1	Very low	90 Å²	90	73.2 Å²	73.2	35%	0.353	36%	0.358	S	S	.	.			trans	-99.9	61.8	178.6	-62.9	-93.6	0	0	0	112.1	W487 P488 H489	W487-Y491 WeakPolarHBondContact CA-O 3.42Å; W487-Y491 VanDerWaalsContact CB-O 3.3Å; W487-Y491 WeakPolarHBondContact CB-O 3.22Å; P488-Y491 HydrophobicContact CB-CD2 4.33Å; P488-Y491 HydrophobicContact CG-CD2 3.9Å; P488-Y491 HydrophobicContact CG-CG 4.07Å; P488-Y491 PolarHBondContact O-N 3.27Å; H489-Y491 VanDerWaalsContact O-CD2 3.3Å; H489-Y491 WeakPolarHBondContact O-CD2 3.08Å; H489-Y491 PolarHBondContact O-N 2.8Å
492	G	31.2	Very low	37	Very low	21 Å²	21	73.1 Å²	73.1	22%	0.216	35%	0.354	C	S	.	.	S	Bend	trans	-80.7	176.7	169.8	0	0	0	0	0	113	N490 I494 C495	N490-G492 PolarHBondContact O-N 3.48Å; G492-I494 PolarHBondContact O-N 2.77Å; G492-C495 WeakPolarHBondContact O-CB 3.31Å; G492-C495 PolarHBondContact O-N 3.46Å
493	P	31	Very low	36.6	Very low	39 Å²	39	68.3 Å²	68.3	25%	0.253	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-1.7	168.3	31.3	-34.2	0	0	0	113.1	W487	W487-P493 HydrophobicContact CH2-CB 3.81Å; W487-P493 HydrophobicContact CZ2-CB 3.72Å; W487-P493 HydrophobicContact CZ2-CG 4.05Å; W487-P493 HydrophobicContact CZ3-CB 4.47Å
494	I	33.5	Very low	36	Very low	118 Å²	118	70.5 Å²	70.5	61%	0.605	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.3	-13.2	175.7	-55.9	172.3	0	0	0	110.6	H116 G492 Q496	H116-I494 VanDerWaalsContact CE1-CG1 3.46Å; H116-I494 WeakPolarHBondContact CE1-CG1 3.31Å; H116-I494 WeakPolarHBondContact NE2-CG1 3.28Å; G492-I494 PolarHBondContact O-N 2.77Å; I494-Q496 PolarHBondContact O-N 2.93Å
495	C	29.1	Very low	35.6	Very low	47 Å²	47	74 Å²	74	32%	0.318	37%	0.367	S	S	.	.	S	Bend	trans	-63.5	128.4	177.5	-167.2	0	0	0	0	109.3	N490 G492 T497	N490-C495 PolarHBondContact O-SG 3.24Å; G492-C495 WeakPolarHBondContact O-CB 3.31Å; G492-C495 PolarHBondContact O-N 3.46Å; C495-T497 PolarHBondContact O-N 3.34Å
496	Q	33.4	Very low	35.1	Very low	128 Å²	128	78.6 Å²	78.6	60%	0.598	39%	0.39	S	S	*	.	P	Polyproline II helix	trans	-61.4	124.9	-166.4	-68.4	-177.6	-2.9	0	0	111.8	I494 Y499	I494-Q496 PolarHBondContact O-N 2.93Å; Q496-Y499 HydrophobicContact CG-CE2 4.41Å
497	T	35.9	Very low	34.6	Very low	6 Å²	6	79.4 Å²	79.4	4%	0.037	40%	0.4	C	S	.	.	P	Polyproline II helix	trans	-64.3	134.2	147.4	-50.7	0	0	0	0	107.1	C495 Y499 L501 E590 F623 T717	C495-T497 PolarHBondContact O-N 3.34Å; T497-Y499 PolarHBondContact O-N 2.96Å; T497-Y499 VanDerWaalsContact O-N 3.14Å; T497-L501 HydrophobicContact CG2-CD1 3.81Å; T497-E590 WeakPolarHBondContact OG1-CB 3.46Å; T497-F623 HydrophobicContact CG2-CE1 4.37Å; T497-F623 HydrophobicContact CG2-CZ 4.31Å; T497-T717 HydrophobicContact CG2-CG2 4.09Å
498	L	41.5	Very low	34.3	Very low	43 Å²	43	78.1 Å²	78.1	23%	0.225	41%	0.409	C	S	.	.	P	Polyproline II helix	trans	-48.3	118.3	-173.6	-74.2	166.6	0	0	0	112.3	N500 L501 Y709	L498-N500 PolarHBondContact O-N 3.4Å; L498-L501 HydrophobicContact CB-CG 4.14Å; L498-L501 PolarHBondContact O-N 3.04Å; L498-Y709 HydrophobicContact CD1-CE2 3.61Å
499	Y	36.5	Very low	34	Very low	107 Å²	107	87 Å²	87	42%	0.42	45%	0.446	S	S	.	.	G	3₁₀ helix	trans	-52.1	-35.7	168.5	-94.8	-101.1	0	0	0	111.3	Q496 T497 L501 I503 F723	Q496-Y499 HydrophobicContact CG-CE2 4.41Å; T497-Y499 PolarHBondContact O-N 2.96Å; T497-Y499 VanDerWaalsContact O-N 3.14Å; Y499-L501 PolarHBondContact O-N 3.41Å; Y499-L501 VanDerWaalsContact O-N 3.1Å; Y499-I503 HydrophobicContact CD1-CD1 4.41Å; Y499-F723 HydrophobicContact CD1-CD2 4.33Å; Y499-F723 HydrophobicContact CE1-CD2 4.05Å
500	N	36	Very low	34.2	Very low	82 Å²	82	87.3 Å²	87.3	44%	0.439	45%	0.452	S	S	.	.	G	3₁₀ helix	trans	-72.6	5.5	-175.8	-47.9	57.5	0	0	0	114.9	L498 Y502 Y658	L498-N500 PolarHBondContact O-N 3.4Å; N500-Y502 PolarHBondContact O-N 3.34Å; N500-Y658 WeakPolarHBondContact O-CE1 3.24Å
501	L	42.7	Very low	33.9	Very low	0 Å²	0	89.1 Å²	89.1	0%	0	46%	0.461	C	S	.	.	G	3₁₀ helix	trans	-69.2	-20.2	176.9	-78.7	173.7	0	0	0	113.6	T497 L498 Y499 Y653 W665	T497-L501 HydrophobicContact CG2-CD1 3.81Å; L498-L501 HydrophobicContact CB-CG 4.14Å; L498-L501 PolarHBondContact O-N 3.04Å; Y499-L501 PolarHBondContact O-N 3.41Å; Y499-L501 VanDerWaalsContact O-N 3.1Å; L501-Y653 HydrophobicContact CD2-CD1 4.09Å; L501-Y653 HydrophobicContact CD2-CD2 3.48Å; L501-Y653 VanDerWaalsContact CD2-CD2 3.48Å; L501-Y653 HydrophobicContact CD2-CE1 4.15Å; L501-Y653 HydrophobicContact CD2-CE2 3.58Å; L501-Y653 HydrophobicContact CD2-CG 3.77Å; L501-W665 HydrophobicContact CD2-CZ2 3.96Å
502	Y	41.9	Very low	33.6	Very low	39 Å²	39	92.4 Å²	92.4	15%	0.153	47%	0.474	C	S	.	.	T	Hydrogen-bonded Turn	trans	-134.6	-27.7	-173.3	-68.7	-68.9	0	0	0	116	N500 K664 W665 P715 W777	N500-Y502 PolarHBondContact O-N 3.34Å; Y502-K664 PolarHBondContact O-NZ 2.93Å; Y502-W665 AromaticContact CZ-NE1 3.9Å; Y502-W665 PolarHBondContact OH-NE1 3.48Å; Y502-W665 VanDerWaalsContact OH-NE1 3.12Å; Y502-P715 PolarHBondContact OH-O 2.69Å; Y502-P715 VanDerWaalsContact OH-O 3.12Å; Y502-W777 AromaticContact CD1-CH2 3.53Å; Y502-W777 HydrophobicContact CD1-CH2 3.53Å; Y502-W777 HydrophobicContact CD1-CZ2 4.27Å; Y502-W777 HydrophobicContact CD1-CZ3 4.26Å; Y502-W777 HydrophobicContact CD2-CH2 4.02Å; Y502-W777 AromaticContact CE1-CH2 3.24Å; Y502-W777 HydrophobicContact CE1-CH2 3.24Å; Y502-W777 AromaticContact CE1-CZ2 3.52Å; Y502-W777 HydrophobicContact CE1-CZ2 3.52Å; Y502-W777 HydrophobicContact CE1-CZ3 4.22Å; Y502-W777 AromaticContact CE2-CH2 3.75Å; Y502-W777 HydrophobicContact CE2-CH2 3.75Å; Y502-W777 AromaticContact CE2-CZ2 3.87Å; Y502-W777 HydrophobicContact CE2-CZ2 3.87Å; Y502-W777 AromaticContact CG-CH2 3.95Å; Y502-W777 HydrophobicContact CG-CH2 3.95Å; Y502-W777 AromaticContact CZ-CH2 3.4Å; Y502-W777 AromaticContact CZ-CZ2 3.31Å; Y502-W777 WeakPolarHBondContact OH-CZ2 3.46Å
503	I	32.9	Very low	33.5	Very low	50 Å²	50	99.1 Å²	99.1	26%	0.256	51%	0.505	S	S	.	.			trans	-82.4	126.2	-173.6	-49.1	170.9	0	0	0	111.1	Y499 T505 Y658 F723	Y499-I503 HydrophobicContact CD1-CD1 4.41Å; I503-T505 HydrophobicContact CG2-CG2 3.86Å; I503-T505 PolarHBondContact O-N 3.43Å; I503-Y658 PolarHBondContact O-OH 2.78Å; I503-Y658 VanDerWaalsContact O-OH 3.05Å; I503-F723 HydrophobicContact CD1-CD2 4.33Å; I503-F723 HydrophobicContact CD1-CE1 3.93Å; I503-F723 HydrophobicContact CD1-CE2 3.63Å; I503-F723 HydrophobicContact CD1-CZ 3.4Å; I503-F723 VanDerWaalsContact CD1-CZ 3.4Å; I503-F723 HydrophobicContact CG1-CE1 3.99Å; I503-F723 HydrophobicContact CG1-CZ 3.9Å
504	E	29.9	Very low	33.6	Very low	135 Å²	135	102 Å²	102	63%	0.631	52%	0.521	S	S	*	.			trans	-76.2	108.3	158.3	-80	117.5	-128.6	0	0	110	K664	E504-K664 IonicContact OE1-NZ 3.36Å; E504-K664 PolarHBondContact OE1-NZ 2.83Å
505	T	30.6	Very low	33.4	Very low	92 Å²	92	103.8 Å²	103.8	56%	0.564	53%	0.533	S	S	*	.			trans	-100.8	90.5	168.3	51.8	0	0	0	0	109.3	I503 N507	I503-T505 HydrophobicContact CG2-CG2 3.86Å; I503-T505 PolarHBondContact O-N 3.43Å; T505-N507 PolarHBondContact O-N 2.84Å
506	N	30.2	Very low	33.4	Very low	137 Å²	137	109.9 Å²	109.9	73%	0.733	55%	0.554	S	S	*	*			trans	-68.6	123.9	170.1	-79.5	-31.7	0	0	0	110.2
507	N	31.1	Very low	33.4	Very low	158 Å²	158	107 Å²	107	85%	0.845	55%	0.546	S	S	*	.			trans	54.8	90.7	162.7	-60.7	-36	0	0	0	118.4	T505	T505-N507 PolarHBondContact O-N 2.84Å
508	S	32.9	Very low	33.5	Very low	89 Å²	89	112.6 Å²	112.6	62%	0.622	57%	0.574	S	S	*	*			trans	-124.5	141.1	132.6	56	0	0	0	0	109.6
509	K	29.1	Very low	33.7	Very low	205 Å²	205	112.6 Å²	112.6	89%	0.891	57%	0.574	S	S	*	*			trans	-110.5	96	174.7	-74.3	-179.2	179.1	177.2	0	107.4
510	D	34.7	Very low	33.9	Very low	128 Å²	128	110.6 Å²	110.6	68%	0.684	57%	0.574	S	S	*	*			trans	-127.6	132.9	174.2	-73.8	-69.2	0	0	0	110.5	Y512	D510-Y512 PolarHBondContact O-N 2.9Å
511	D	28.3	Very low	34.5	Very low	157 Å²	157	109.5 Å²	109.5	84%	0.84	57%	0.568	S	S	*	*			trans	-71.5	109	-169	-82.9	-52.6	0	0	0	112.9
512	Y	33.2	Very low	35	Very low	159 Å²	159	116.6 Å²	116.6	62%	0.624	60%	0.596	S	S	*	*			trans	-99.6	78.4	160.7	-80.3	-86.9	0	0	0	110.4	N297 D510 V514	N297-Y512 PolarHBondContact ND2-OH 3.18Å; N297-Y512 VanDerWaalsContact ND2-OH 3.07Å; D510-Y512 PolarHBondContact O-N 2.9Å; Y512-V514 HydrophobicContact CD1-CG2 4.25Å; Y512-V514 PolarHBondContact O-N 3.39Å
513	N	28.2	Very low	35.9	Very low	163 Å²	163	116 Å²	116	87%	0.872	60%	0.596	S	S	*	*			trans	-70.6	71.8	166.6	-121.6	-20.1	0	0	0	109.7
514	V	33.4	Very low	37.1	Very low	98 Å²	98	120.6 Å²	120.6	59%	0.594	62%	0.617	S	S	*	*			trans	-115.3	121.8	174.8	-178	0	0	0	0	107.6	Y512 K516	Y512-V514 HydrophobicContact CD1-CG2 4.25Å; Y512-V514 PolarHBondContact O-N 3.39Å; V514-K516 PolarHBondContact O-N 2.73Å; V514-K516 VanDerWaalsContact O-N 3.14Å
515	N	30.3	Very low	38.7	Very low	157 Å²	157	117.8 Å²	117.8	84%	0.84	60%	0.604	S	S	*	*			trans	-50.6	116.3	-164.7	-68.7	-52.5	0	0	0	113.1	P517	N515-P517 VanDerWaalsContact O-CD 3.27Å; N515-P517 WeakPolarHBondContact O-CD 3.48Å
516	K	28.8	Very low	40.3	Very low	175 Å²	175	113.8 Å²	113.8	76%	0.761	58%	0.579	S	S	*	*			trans	-60.6	120.5	175.6	-70.7	-179.7	-180	175.7	0	109.9	V514 I518	V514-K516 PolarHBondContact O-N 2.73Å; V514-K516 VanDerWaalsContact O-N 3.14Å; K516-I518 VanDerWaalsContact C-N 3.32Å; K516-I518 HydrophobicContact CB-CD1 4.36Å; K516-I518 HydrophobicContact CB-CG1 3.62Å; K516-I518 HydrophobicContact CD-CG1 4.31Å; K516-I518 PolarHBondContact O-N 3.18Å; K516-I518 VanDerWaalsContact O-N 3.07Å
517	P	33.3	Very low	42	Very low	66 Å²	66	112.5 Å²	112.5	43%	0.429	57%	0.57	S	S	.	*			trans	-77.8	90.2	158.6	19.7	-6.7	0	0	0	107.7	N515 I519 S562 N705	N515-P517 VanDerWaalsContact O-CD 3.27Å; N515-P517 WeakPolarHBondContact O-CD 3.48Å; P517-I519 VanDerWaalsContact C-N 3.33Å; P517-I519 PolarHBondContact O-N 2.89Å; P517-S562 VanDerWaalsContact CB-CB 3.43Å; P517-S562 WeakPolarHBondContact CB-OG 3.46Å; P517-N705 PolarHBondContact O-ND2 3.42Å; P517-N705 VanDerWaalsContact O-ND2 3.08Å
518	I	38.6	Very low	43.8	Very low	124 Å²	124	109.5 Å²	109.5	64%	0.636	55%	0.55	S	S	*	*			trans	-74.7	87.6	-175.9	-50.6	176.4	0	0	0	109.1	K516 P520	K516-I518 VanDerWaalsContact C-N 3.32Å; K516-I518 HydrophobicContact CB-CD1 4.36Å; K516-I518 HydrophobicContact CB-CG1 3.62Å; K516-I518 HydrophobicContact CD-CG1 4.31Å; K516-I518 PolarHBondContact O-N 3.18Å; K516-I518 VanDerWaalsContact O-N 3.07Å; I518-P520 HydrophobicContact CG2-CG 3.91Å; I518-P520 WeakPolarHBondContact O-CD 3.19Å
519	I	44.6	Very low	45.5	Very low	44 Å²	44	105.3 Å²	105.3	23%	0.226	52%	0.521	C	S	.	.			trans	-95.1	104.2	148.6	-59.1	177	0	0	0	104.6	P517 I526 L563 S704	P517-I519 VanDerWaalsContact C-N 3.33Å; P517-I519 PolarHBondContact O-N 2.89Å; I519-I526 HydrophobicContact CG2-CD1 4.07Å; I519-L563 HydrophobicContact CD1-CB 4.26Å; I519-S704 PolarHBondContact O-OG 3.42Å; I519-S704 VanDerWaalsContact O-OG 3.09Å
520	P	40.9	Very low	47.5	Very low	64 Å²	64	101 Å²	101	42%	0.416	50%	0.499	S	S	.	.			trans	-61.8	139	170.4	-16.1	28.5	0	0	0	109.6	I518 Y522 T523	I518-P520 HydrophobicContact CG2-CG 3.91Å; I518-P520 WeakPolarHBondContact O-CD 3.19Å; P520-Y522 PolarHBondContact O-N 3.23Å; P520-T523 HydrophobicContact CB-CG2 3.58Å; P520-T523 HydrophobicContact CG-CG2 3.42Å; P520-T523 VanDerWaalsContact CG-CG2 3.42Å
521	D	50.1	Low	49.2	Very low	59 Å²	59	101.8 Å²	101.8	32%	0.316	50%	0.504	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	123.7	167.8	-60.3	-44.8	0	0	0	107.9	S704	D521-S704 WeakPolarHBondContact OD1-CB 3.48Å; D521-S704 PolarHBondContact OD1-N 3.31Å; D521-S704 PolarHBondContact OD1-OG 2.95Å
522	Y	52.4	Low	51.3	Low	150 Å²	150	96.1 Å²	96.1	59%	0.588	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.5	57.9	-175.4	-48.2	-82.6	0	0	0	117	P520	P520-Y522 PolarHBondContact O-N 3.23Å
523	T	61	Low	53.4	Low	25 Å²	25	95.6 Å²	95.6	15%	0.153	48%	0.475	C	S	.	.			trans	-79.5	163.4	162.2	70.4	0	0	0	0	114.1	P520 E525 I526 M527	P520-T523 HydrophobicContact CB-CG2 3.58Å; P520-T523 HydrophobicContact CG-CG2 3.42Å; P520-T523 VanDerWaalsContact CG-CG2 3.42Å; T523-E525 VanDerWaalsContact C-N 3.28Å; T523-E525 WeakPolarHBondContact CB-OE2 3.19Å; T523-E525 PolarHBondContact O-N 3Å; T523-E525 PolarHBondContact OG1-N 3.33Å; T523-E525 PolarHBondContact OG1-OE2 3.48Å; T523-I526 PolarHBondContact O-N 2.88Å; T523-I526 PolarHBondContact OG1-N 2.71Å; T523-M527 PolarHBondContact O-N 2.96Å
524	E	58.2	Low	55.8	Low	148 Å²	148	89.8 Å²	89.8	69%	0.692	45%	0.446	S	S	*	.	H	α-helix	trans	-57.7	-36.9	171.2	-67.4	-164.3	168.5	0	0	112.6	I526 M527 Q528	E524-I526 VanDerWaalsContact C-N 3.3Å; E524-I526 PolarHBondContact O-N 3.23Å; E524-M527 CarbonylContact O-C 3.47Å; E524-M527 WeakPolarHBondContact O-CA 3.17Å; E524-M527 WeakPolarHBondContact O-CB 3.29Å; E524-M527 PolarHBondContact O-N 2.94Å; E524-Q528 WeakPolarHBondContact O-CG 3.36Å; E524-Q528 PolarHBondContact O-N 2.88Å
525	E	62.3	Low	58	Low	75 Å²	75	89.5 Å²	89.5	35%	0.35	44%	0.435	S	S	.	.	H	α-helix	trans	-67.2	-32.4	-179.9	-50	84.6	175.1	0	0	111.8	T523 M527 Q528 L529 F568 L572	T523-E525 VanDerWaalsContact C-N 3.28Å; T523-E525 WeakPolarHBondContact CB-OE2 3.19Å; T523-E525 PolarHBondContact O-N 3Å; T523-E525 PolarHBondContact OG1-N 3.33Å; T523-E525 PolarHBondContact OG1-OE2 3.48Å; E525-M527 VanDerWaalsContact C-N 3.32Å; E525-Q528 PolarHBondContact O-N 2.85Å; E525-L529 WeakPolarHBondContact O-CG 3.47Å; E525-L529 PolarHBondContact O-N 3.3Å; E525-F568 HydrophobicContact CB-CE1 3.8Å; E525-F568 HydrophobicContact CB-CE2 4.5Å; E525-F568 HydrophobicContact CB-CZ 3.46Å; E525-F568 VanDerWaalsContact CB-CZ 3.46Å; E525-F568 HydrophobicContact CG-CE1 4.28Å; E525-F568 HydrophobicContact CG-CZ 4.35Å; E525-L572 HydrophobicContact CB-CD1 4.2Å; E525-L572 HydrophobicContact CG-CD1 4.12Å
526	I	65.2	Low	60.2	Low	8 Å²	8	83.8 Å²	83.8	4%	0.041	40%	0.402	C	S	.	.	H	α-helix	trans	-65.9	-37.2	171	-63.8	176.8	0	0	0	110.5	I519 T523 E524 L529 R530 F633	I519-I526 HydrophobicContact CG2-CD1 4.07Å; T523-I526 PolarHBondContact O-N 2.88Å; T523-I526 PolarHBondContact OG1-N 2.71Å; E524-I526 VanDerWaalsContact C-N 3.3Å; E524-I526 PolarHBondContact O-N 3.23Å; I526-L529 PolarHBondContact O-N 2.94Å; I526-R530 PolarHBondContact O-N 3.43Å; I526-R530 VanDerWaalsContact O-N 3.07Å; I526-F633 HydrophobicContact CG2-CE2 4.22Å
527	M	66.7	Low	62.4	Low	111 Å²	111	82.2 Å²	82.2	55%	0.547	40%	0.396	S	S	.	.	H	α-helix	trans	-68.7	-36.8	173.7	-62.1	-175.9	67.1	0	0	112.2	T523 E524 E525 R530 N531	T523-M527 PolarHBondContact O-N 2.96Å; E524-M527 CarbonylContact O-C 3.47Å; E524-M527 WeakPolarHBondContact O-CA 3.17Å; E524-M527 WeakPolarHBondContact O-CB 3.29Å; E524-M527 PolarHBondContact O-N 2.94Å; E525-M527 VanDerWaalsContact C-N 3.32Å; M527-R530 PolarHBondContact O-N 3.48Å; M527-N531 PolarHBondContact O-N 2.86Å
528	Q	67.9	Low	64.3	Low	94 Å²	94	81.5 Å²	81.5	44%	0.439	40%	0.4	S	S	.	.	H	α-helix	trans	-65.2	-41.1	172.2	-66.8	171.6	30.6	0	0	111.5	E524 E525 R530 N531 K532	E524-Q528 WeakPolarHBondContact O-CG 3.36Å; E524-Q528 PolarHBondContact O-N 2.88Å; E525-Q528 PolarHBondContact O-N 2.85Å; Q528-R530 VanDerWaalsContact C-N 3.34Å; Q528-R530 PolarHBondContact O-N 3.43Å; Q528-N531 WeakPolarHBondContact O-CB 3.37Å; Q528-N531 PolarHBondContact O-N 2.82Å; Q528-N531 VanDerWaalsContact O-N 3.12Å; Q528-K532 PolarHBondContact O-N 3.13Å
529	L	69.3	Low	66.4	Low	2 Å²	2	80.4 Å²	80.4	1%	0.01	40%	0.395	C	S	.	.	H	α-helix	trans	-61.6	-38.1	174.2	-75.8	-175.1	0	0	0	112.8	E525 I526 N531 K532 F568 L572 W578 L630 F633	E525-L529 WeakPolarHBondContact O-CG 3.47Å; E525-L529 PolarHBondContact O-N 3.3Å; I526-L529 PolarHBondContact O-N 2.94Å; L529-N531 PolarHBondContact O-N 3.2Å; L529-K532 PolarHBondContact O-N 3.5Å; L529-F568 HydrophobicContact CD1-CE2 3.74Å; L529-F568 HydrophobicContact CD1-CZ 4.19Å; L529-F568 HydrophobicContact CD2-CE2 4.18Å; L529-F568 HydrophobicContact CG-CE2 4.02Å; L529-L572 HydrophobicContact CD2-CD2 4.23Å; L529-W578 HydrophobicContact CB-CH2 4.23Å; L529-W578 HydrophobicContact CB-CZ2 4.04Å; L529-W578 HydrophobicContact CD1-CE3 4.17Å; L529-W578 HydrophobicContact CD1-CH2 3.91Å; L529-W578 HydrophobicContact CD1-CZ2 4.49Å; L529-W578 HydrophobicContact CD1-CZ3 3.73Å; L529-W578 HydrophobicContact CD2-CD2 3.76Å; L529-W578 HydrophobicContact CD2-CE3 3.84Å; L529-W578 HydrophobicContact CD2-CG 4.09Å; L529-W578 HydrophobicContact CD2-CZ2 4.5Å; L529-W578 HydrophobicContact CD2-CZ3 4.23Å; L529-W578 HydrophobicContact CG-CH2 4.48Å; L529-W578 HydrophobicContact CG-CZ3 4.44Å; L529-W578 PolarHBondContact O-NE1 2.82Å; L529-L630 HydrophobicContact CD1-CD2 4.47Å; L529-F633 HydrophobicContact CB-CZ 4.24Å
530	R	69.7	Low	68.2	Low	114 Å²	114	85.5 Å²	85.5	43%	0.43	41%	0.411	S	S	.	.	H	α-helix	trans	-59.4	-28.3	174.4	-79.9	174.3	159.4	-175.4	-7.8	112.8	I526 M527 Q528 G632 F633 E700	I526-R530 PolarHBondContact O-N 3.43Å; I526-R530 VanDerWaalsContact O-N 3.07Å; M527-R530 PolarHBondContact O-N 3.48Å; Q528-R530 VanDerWaalsContact C-N 3.34Å; Q528-R530 PolarHBondContact O-N 3.43Å; R530-G632 VanDerWaalsContact CZ-O 3.32Å; R530-G632 PolarHBondContact NE-O 3.25Å; R530-G632 VanDerWaalsContact NH2-CA 3.27Å; R530-G632 PolarHBondContact NH2-O 3.48Å; R530-F633 HydrophobicContact CB-CZ 4.48Å; R530-F633 HydrophobicContact CG-CE1 4Å; R530-F633 HydrophobicContact CG-CE2 4.22Å; R530-F633 HydrophobicContact CG-CZ 3.66Å; R530-E700 IonicContact NH2-OE1 2.71Å
531	N	70.6	Confident	70.2	Confident	145 Å²	145	84 Å²	84	78%	0.775	40%	0.4	S	S	*	.	H	α-helix	trans	-84.9	-13.1	176.6	-64.2	-22	0	0	0	113.4	M527 Q528 L529	M527-N531 PolarHBondContact O-N 2.86Å; Q528-N531 WeakPolarHBondContact O-CB 3.37Å; Q528-N531 PolarHBondContact O-N 2.82Å; Q528-N531 VanDerWaalsContact O-N 3.12Å; L529-N531 PolarHBondContact O-N 3.2Å
532	K	72.9	Confident	71.9	Confident	38 Å²	38	83.8 Å²	83.8	17%	0.165	40%	0.399	C	S	.	.	S	Bend	trans	-92.1	137.5	175.7	-65.9	-166.5	-177.9	-163.8	0	111.7	Q528 L529 P534 E571 L572 N574 W578	Q528-K532 PolarHBondContact O-N 3.13Å; L529-K532 PolarHBondContact O-N 3.5Å; K532-P534 WeakPolarHBondContact O-CD 3.32Å; K532-E571 PolarHBondContact NZ-O 2.7Å; K532-L572 VanDerWaalsContact NZ-C 3.33Å; K532-L572 PolarHBondContact NZ-O 3.16Å; K532-N574 PolarHBondContact NZ-O 3.33Å; K532-W578 VanDerWaalsContact CB-CD1 3.43Å; K532-W578 HydrophobicContact CB-CG 4.42Å; K532-W578 PolarHBondContact O-NE1 3.31Å
533	Q	76.7	Confident	73.5	Confident	147 Å²	147	77.3 Å²	77.3	69%	0.687	37%	0.374	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.4	120.4	177.1	-73.5	-65.8	-27.6	0	0	111.5	Y535	Q533-Y535 PolarHBondContact O-N 3.43Å
534	P	79.8	Confident	74.6	Confident	42 Å²	42	76.8 Å²	76.8	27%	0.273	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	121.1	-176.8	32.5	-34.2	0	0	0	111	K532 W578 P580 P602 F603	K532-P534 WeakPolarHBondContact O-CD 3.32Å; P534-W578 HydrophobicContact CB-CZ2 4.2Å; P534-P580 HydrophobicContact CB-CG 3.65Å; P534-P602 HydrophobicContact CB-CB 3.89Å; P534-P602 HydrophobicContact CB-CG 4.42Å; P534-P602 HydrophobicContact CG-CB 4.23Å; P534-P602 HydrophobicContact CG-CG 4.47Å; P534-P602 VanDerWaalsContact O-CG 3.22Å; P534-P602 WeakPolarHBondContact O-CG 3.5Å; P534-F603 HydrophobicContact CB-CE2 3.97Å; P534-F603 HydrophobicContact CG-CE2 4.12Å
535	Y	78.1	Confident	75.6	Confident	92 Å²	92	70.5 Å²	70.5	36%	0.361	34%	0.342	S	S	.	.	P	Polyproline II helix	trans	-93.2	151	-176.4	-176.4	-109.7	0	0	0	112.7	Q533 K537 W578	Q533-Y535 PolarHBondContact O-N 3.43Å; Y535-K537 HydrophobicContact CE1-CB 3.79Å; Y535-K537 HydrophobicContact CE1-CD 4.37Å; Y535-K537 WeakPolarHBondContact OH-CD 3.29Å; Y535-W578 PolarHBondContact N-O 2.92Å
536	F	78.3	Confident	76	Confident	36 Å²	36	70.6 Å²	70.6	16%	0.158	34%	0.343	C	S	.	.			trans	-151.7	139.4	172.1	-177.1	-105.5	0	0	0	111.4	G538 R540 R599 I600 G601 P602	F536-G538 WeakPolarHBondContact CE1-O 3.32Å; F536-G538 WeakPolarHBondContact CZ-O 3.45Å; F536-R540 HydrophobicContact CZ-CG 4.48Å; F536-R599 HydrophobicContact CD2-CG 4.28Å; F536-R599 HydrophobicContact CE2-CB 4.09Å; F536-R599 HydrophobicContact CE2-CG 3.58Å; F536-R599 HydrophobicContact CZ-CB 3.97Å; F536-R599 HydrophobicContact CZ-CG 3.8Å; F536-R599 VanDerWaalsContact CZ-O 3.27Å; F536-R599 WeakPolarHBondContact CZ-O 3.37Å; F536-I600 VanDerWaalsContact CE1-C 3.41Å; F536-G601 VanDerWaalsContact CD1-CA 3.46Å; F536-P602 HydrophobicContact CB-CB 4.34Å; F536-P602 HydrophobicContact CB-CG 3.78Å
537	K	74.7	Confident	75.5	Confident	142 Å²	142	70.4 Å²	70.4	62%	0.617	34%	0.343	S	S	*	.			trans	-130.4	100.2	-174.3	-165.8	176.1	-168.4	166.3	0	113	Y535	Y535-K537 HydrophobicContact CE1-CB 3.79Å; Y535-K537 HydrophobicContact CE1-CD 4.37Å; Y535-K537 WeakPolarHBondContact OH-CD 3.29Å
538	G	73.4	Confident	74.5	Confident	51 Å²	51	65.8 Å²	65.8	53%	0.526	32%	0.321	S	S	.	.	S	Bend	trans	76.7	144.8	171.4	0	0	0	0	0	114.2	F536 R540	F536-G538 WeakPolarHBondContact CE1-O 3.32Å; F536-G538 WeakPolarHBondContact CZ-O 3.45Å; G538-R540 WeakPolarHBondContact O-CG 3.4Å; G538-R540 PolarHBondContact O-N 3.41Å
539	I	82.4	Confident	73.3	Confident	101 Å²	101	63.3 Å²	63.3	52%	0.518	31%	0.313	S	S	.	.			trans	-59.4	130.5	178.7	-57.8	178.1	0	0	0	109.8	R598 R599 I600	I539-R598 HydrophobicContact CG2-CB 3.95Å; I539-R599 WeakPolarHBondContact CA-O 3.17Å; I539-I600 HydrophobicContact CD1-CG2 4.29Å; I539-I600 HydrophobicContact CG1-CG2 4.13Å; I539-I600 HydrophobicContact CG2-CG2 4.06Å
540	R	81.4	Confident	71.5	Confident	152 Å²	152	66.7 Å²	66.7	57%	0.574	34%	0.336	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.9	131.9	176.7	-58.1	-172.6	-172.7	-169.3	2.3	110.4	F536 G538 I542 R598 R599	F536-R540 HydrophobicContact CZ-CG 4.48Å; G538-R540 WeakPolarHBondContact O-CG 3.4Å; G538-R540 PolarHBondContact O-N 3.41Å; R540-I542 HydrophobicContact CB-CG2 4.27Å; R540-R598 CarbonylContact O-C 3.55Å; R540-R598 WeakPolarHBondContact O-CA 3.4Å; R540-R599 PolarHBondContact N-O 3.44Å; R540-R599 VanDerWaalsContact N-O 3.08Å; R540-R599 PolarHBondContact O-N 3.3Å
541	V	83.5	Confident	69.7	Low	31 Å²	31	68.7 Å²	68.7	19%	0.188	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	129.4	162.3	-178.8	0	0	0	0	107.4	N476 D544 Q596 R598	N476-V541 HydrophobicContact CB-CG2 4.08Å; V541-D544 HydrophobicContact CG1-CB 4.36Å; V541-Q596 HydrophobicContact CG1-CG 3.81Å; V541-R598 HydrophobicContact CG2-CG 4.12Å
542	I	85.9	Confident	67.7	Low	56 Å²	56	65.1 Å²	65.1	29%	0.287	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	-19.6	-176.2	62.2	169.1	0	0	0	112.6	R540 C582 F585 V597 R599 Y605	R540-I542 HydrophobicContact CB-CG2 4.27Å; I542-C582 VanDerWaalsContact CD1-SG 3.59Å; I542-F585 HydrophobicContact CD1-CD2 3.75Å; I542-F585 HydrophobicContact CD1-CE2 3.54Å; I542-F585 HydrophobicContact CG1-CD2 4.44Å; I542-V597 HydrophobicContact CD1-CB 4.27Å; I542-V597 HydrophobicContact CD1-CG1 3.82Å; I542-V597 HydrophobicContact CG1-CB 3.9Å; I542-V597 HydrophobicContact CG1-CG1 3.95Å; I542-V597 WeakPolarHBondContact CG1-O 3.23Å; I542-V597 PolarHBondContact N-O 3.09Å; I542-R599 HydrophobicContact CD1-CB 4.37Å; I542-R599 HydrophobicContact CG2-CB 4.06Å; I542-Y605 HydrophobicContact CD1-CD1 3.59Å; I542-Y605 HydrophobicContact CD1-CE1 3.48Å; I542-Y605 VanDerWaalsContact CD1-CE1 3.48Å
543	F	86.5	Confident	65.4	Low	13 Å²	13	66.1 Å²	66.1	6%	0.057	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	139.2	173.1	174.3	-98.4	0	0	0	109.1	F585 E586 S587 L594 Q596 V597	F543-F585 HydrophobicContact CB-CB 3.91Å; F543-F585 HydrophobicContact CD1-CB 4.43Å; F543-F585 HydrophobicContact CD2-CB 4.36Å; F543-F585 WeakPolarHBondContact CD2-O 3.44Å; F543-F585 WeakPolarHBondContact CE2-O 3.35Å; F543-F585 HydrophobicContact CG-CB 3.97Å; F543-E586 WeakPolarHBondContact CE2-OE1 3.48Å; F543-S587 WeakPolarHBondContact CE1-OG 3.46Å; F543-S587 VanDerWaalsContact CZ-OG 3.28Å; F543-S587 WeakPolarHBondContact CZ-OG 3.43Å; F543-L594 HydrophobicContact CD1-CD2 4.13Å; F543-L594 HydrophobicContact CD1-CG 4.28Å; F543-L594 HydrophobicContact CE1-CB 4.33Å; F543-L594 HydrophobicContact CE1-CD2 4.28Å; F543-L594 HydrophobicContact CE1-CG 4.23Å; F543-Q596 CarbonylContact O-C 3.55Å; F543-Q596 VanDerWaalsContact O-CA 3.3Å; F543-Q596 WeakPolarHBondContact O-CA 3.45Å; F543-Q596 WeakPolarHBondContact O-CG 3.41Å; F543-V597 HydrophobicContact CB-CB 4.17Å; F543-V597 HydrophobicContact CB-CG2 4.17Å; F543-V597 HydrophobicContact CD1-CG2 4.23Å; F543-V597 PolarHBondContact N-O 3.05Å; F543-V597 PolarHBondContact O-N 3.18Å
544	D	84	Confident	63.1	Low	14 Å²	14	61.6 Å²	61.6	8%	0.075	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	120.1	172.7	-167.4	-54.3	0	0	0	109	V541 E546 C547 R595 Q596	V541-D544 HydrophobicContact CG1-CB 4.36Å; D544-E546 PolarHBondContact O-N 3.11Å; D544-E546 PolarHBondContact OD1-N 3.27Å; D544-C547 HydrophobicContact CB-CB 4.11Å; D544-C547 WeakPolarHBondContact O-CB 3.22Å; D544-C547 PolarHBondContact O-N 2.97Å; D544-C547 PolarHBondContact OD1-SG 3.14Å; D544-R595 IonicContact OD1-CZ 2.73Å; D544-R595 VanDerWaalsContact OD1-CZ 3.23Å; D544-R595 IonicContact OD1-NH1 3.2Å; D544-R595 PolarHBondContact OD1-NH1 3.32Å; D544-R595 IonicContact OD1-NH2 3.16Å; D544-R595 PolarHBondContact OD1-NH2 3.41Å; D544-R595 IonicContact OD2-CZ 3.41Å; D544-R595 IonicContact OD2-NH1 2.84Å; D544-R595 PolarHBondContact OD2-NH1 2.89Å; D544-R595 IonicContact OD2-NH2 3.92Å; D544-Q596 HydrophobicContact CB-CG 4.47Å; D544-Q596 PolarHBondContact OD2-NE2 3.12Å
545	S	78.5	Confident	60.5	Low	16 Å²	16	65.6 Å²	65.6	11%	0.112	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72	-15.7	-172.4	68.4	0	0	0	0	114.2	C547 L594 R595	S545-C547 VanDerWaalsContact C-N 3.3Å; S545-L594 VanDerWaalsContact CB-O 3.3Å; S545-L594 WeakPolarHBondContact CB-O 3.18Å; S545-L594 PolarHBondContact OG-O 3.18Å; S545-R595 PolarHBondContact N-O 2.73Å; S545-R595 PolarHBondContact OG-O 2.95Å
546	E	70.3	Confident	58.1	Low	77 Å²	77	66.1 Å²	66.1	36%	0.36	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.1	29.7	-177.8	-64.4	178.7	168.4	0	0	111	R480 P485 D544 R595	R480-E546 PolarHBondContact NH1-O 2.95Å; P485-E546 WeakPolarHBondContact CB-O 3.43Å; D544-E546 PolarHBondContact O-N 3.11Å; D544-E546 PolarHBondContact OD1-N 3.27Å; E546-R595 IonicContact OE1-NE 3.95Å; E546-R595 PolarHBondContact OE1-NE 2.96Å; E546-R595 IonicContact OE2-CZ 3.67Å; E546-R595 IonicContact OE2-NE 3.94Å; E546-R595 PolarHBondContact OE2-NE 2.83Å; E546-R595 IonicContact OE2-NH2 3.17Å; E546-R595 PolarHBondContact OE2-NH2 2.9Å
547	C	55.9	Low	55.7	Low	5 Å²	5	67.7 Å²	67.7	3%	0.034	40%	0.401	C	S	.	.	S	Bend	trans	-144.3	155.6	-170.7	-57.2	0	0	0	0	110.7	V478 R480 D544 S545 R588	V478-C547 HydrophobicContact CG1-CB 3.62Å; V478-C547 WeakPolarHBondContact CG1-SG 3.18Å; R480-C547 VanDerWaalsContact CZ-SG 3.52Å; R480-C547 PolarHBondContact NH1-SG 3.41Å; R480-C547 VanDerWaalsContact NH1-SG 3.35Å; R480-C547 PolarHBondContact NH2-SG 2.9Å; D544-C547 HydrophobicContact CB-CB 4.11Å; D544-C547 WeakPolarHBondContact O-CB 3.22Å; D544-C547 PolarHBondContact O-N 2.97Å; D544-C547 PolarHBondContact OD1-SG 3.14Å; S545-C547 VanDerWaalsContact C-N 3.3Å; C547-R588 PolarHBondContact O-NH1 3.29Å
548	S	44.7	Very low	53.3	Low	13 Å²	13	64 Å²	64	9%	0.091	39%	0.394	C	S	.	.			trans	-66.9	151.2	165.7	-58	0	0	0	0	110	D481 G484	D481-S548 PolarHBondContact OD1-OG 3.35Å; D481-S548 WeakPolarHBondContact OD2-CB 3.39Å; D481-S548 PolarHBondContact OD2-OG 3.26Å; G484-S548 PolarHBondContact O-OG 3.47Å
549	P	42.3	Very low	51.1	Low	43 Å²	43	66.6 Å²	66.6	28%	0.279	40%	0.399	S	S	.	.			trans	-58.8	146.2	161.6	-9.5	23.7	0	0	0	109.2	P488 L551	P488-P549 HydrophobicContact CB-CG 3.67Å; P488-P549 HydrophobicContact CG-CG 3.52Å; P549-L551 VanDerWaalsContact C-N 3.27Å; P549-L551 PolarHBondContact O-N 3.09Å
550	C	32.4	Very low	48.5	Very low	73 Å²	73	66.3 Å²	66.3	49%	0.493	41%	0.406	S	S	.	.			trans	-72.2	87	167	-62.5	0	0	0	0	109.1	V479 S552	V479-C550 HydrophobicContact CG2-CB 4.15Å; V479-C550 VanDerWaalsContact CG2-SG 3.57Å; C550-S552 PolarHBondContact O-N 3.03Å
551	L	30.8	Very low	46	Very low	155 Å²	155	62.3 Å²	62.3	81%	0.812	40%	0.4	S	S	*	.			trans	-70	80.6	161.4	-75.3	171.1	0	0	0	108.4	P549 G553	P549-L551 VanDerWaalsContact C-N 3.27Å; P549-L551 PolarHBondContact O-N 3.09Å; L551-G553 VanDerWaalsContact C-N 3.3Å; L551-G553 PolarHBondContact O-N 2.97Å
552	S	28.4	Very low	43.7	Very low	71 Å²	71	62 Å²	62	50%	0.497	40%	0.399	S	S	.	.			trans	-71.3	88.4	167.9	47.3	0	0	0	0	109.1	C550 D554	C550-S552 PolarHBondContact O-N 3.03Å; S552-D554 PolarHBondContact O-N 3.39Å
553	G	26	Very low	41.5	Very low	59 Å²	59	61.6 Å²	61.6	61%	0.608	40%	0.397	S	S	*	.			trans	-70.5	87.5	174	0	0	0	0	0	111.9	L551	L551-G553 VanDerWaalsContact C-N 3.3Å; L551-G553 PolarHBondContact O-N 2.97Å
554	D	27.7	Very low	39.5	Very low	52 Å²	52	64.7 Å²	64.7	28%	0.278	42%	0.415	S	S	.	.			trans	-130.9	132.4	149.4	-72.7	-66.3	0	0	0	106.6	K428 S552 S556 T557 S558	K428-D554 WeakPolarHBondContact CE-OD2 3.48Å; K428-D554 IonicContact NZ-OD2 2.78Å; K428-D554 PolarHBondContact NZ-OD2 3.03Å; S552-D554 PolarHBondContact O-N 3.39Å; D554-S556 PolarHBondContact O-N 3.01Å; D554-T557 PolarHBondContact O-N 2.86Å; D554-S558 WeakPolarHBondContact O-CB 3.47Å; D554-S558 PolarHBondContact O-N 3.5Å; D554-S558 PolarHBondContact O-OG 3.33Å
555	S	26.2	Very low	37.7	Very low	125 Å²	125	69.9 Å²	69.9	87%	0.874	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	31.7	177.1	53.1	0	0	0	0	113.9
556	S	26.6	Very low	36	Very low	103 Å²	103	76.7 Å²	76.7	72%	0.72	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-145.2	0.4	172.7	58.2	0	0	0	0	112.9	D554	D554-S556 PolarHBondContact O-N 3.01Å
557	T	27	Very low	35.1	Very low	69 Å²	69	78.1 Å²	78.1	42%	0.423	48%	0.475	S	S	.	.	T	Hydrogen-bonded Turn	trans	-138.8	12.2	166.7	58	0	0	0	0	112.7	D554 T559	D554-T557 PolarHBondContact O-N 2.86Å; T557-T559 CarbonylContact C-O 3.51Å; T557-T559 VanDerWaalsContact C-O 3.28Å; T557-T559 CarbonylContact O-C 3.6Å; T557-T559 PolarHBondContact O-N 3.07Å
558	S	25.9	Very low	34.8	Very low	66 Å²	66	79.5 Å²	79.5	46%	0.462	48%	0.481	S	S	.	.	S	Bend	trans	-70.6	111.6	169	50.9	0	0	0	0	109.1	D554	D554-S558 WeakPolarHBondContact O-CB 3.47Å; D554-S558 PolarHBondContact O-N 3.5Å; D554-S558 PolarHBondContact O-OG 3.33Å
559	T	26.1	Very low	35.1	Very low	105 Å²	105	82.5 Å²	82.5	64%	0.644	50%	0.498	S	S	*	.	S	Bend	trans	60.8	142.5	-150.2	69.3	0	0	0	0	112.3	T557 P561	T557-T559 CarbonylContact C-O 3.51Å; T557-T559 VanDerWaalsContact C-O 3.28Å; T557-T559 CarbonylContact O-C 3.6Å; T557-T559 PolarHBondContact O-N 3.07Å; T559-P561 VanDerWaalsContact C-CD 3.48Å; T559-P561 VanDerWaalsContact O-CD 3.22Å; T559-P561 WeakPolarHBondContact O-CD 3.27Å; T559-P561 VanDerWaalsContact OG1-CD 3.23Å; T559-P561 WeakPolarHBondContact OG1-CD 3.48Å
560	S	28.5	Very low	35.7	Very low	95 Å²	95	86.5 Å²	86.5	66%	0.664	51%	0.513	S	S	*	.			trans	-83.1	99.1	134.7	-63.4	0	0	0	0	104.4
561	P	29.4	Very low	36.6	Very low	68 Å²	68	85.5 Å²	85.5	44%	0.442	50%	0.501	S	S	.	.			trans	-64	146.5	157.3	33.3	-29.7	0	0	0	105.9	T559 L563	T559-P561 VanDerWaalsContact C-CD 3.48Å; T559-P561 VanDerWaalsContact O-CD 3.22Å; T559-P561 WeakPolarHBondContact O-CD 3.27Å; T559-P561 VanDerWaalsContact OG1-CD 3.23Å; T559-P561 WeakPolarHBondContact OG1-CD 3.48Å; P561-L563 PolarHBondContact O-N 3.34Å
562	S	33.5	Very low	37.7	Very low	25 Å²	25	79.9 Å²	79.9	18%	0.175	47%	0.472	C	S	.	.	T	Hydrogen-bonded Turn	trans	4.1	78.9	157.3	58.1	0	0	0	0	116.1	P517 D564	P517-S562 VanDerWaalsContact CB-CB 3.43Å; P517-S562 WeakPolarHBondContact CB-OG 3.46Å; S562-D564 PolarHBondContact O-N 2.86Å; S562-D564 VanDerWaalsContact O-N 3.15Å
563	L	41	Very low	39	Very low	46 Å²	46	81.3 Å²	81.3	24%	0.241	48%	0.478	C	S	.	.	T	Hydrogen-bonded Turn	trans	32.1	67	171.1	-157.8	73	0	0	0	113.6	I519 P561 I565 F568 P581	I519-L563 HydrophobicContact CD1-CB 4.26Å; P561-L563 PolarHBondContact O-N 3.34Å; L563-I565 PolarHBondContact O-N 3.45Å; L563-I565 VanDerWaalsContact O-N 3.1Å; L563-F568 HydrophobicContact CD2-CB 4.12Å; L563-F568 HydrophobicContact CD2-CD1 4.06Å; L563-F568 HydrophobicContact CD2-CD2 3.46Å; L563-F568 VanDerWaalsContact CD2-CD2 3.46Å; L563-F568 HydrophobicContact CD2-CE1 4.33Å; L563-F568 HydrophobicContact CD2-CE2 3.79Å; L563-F568 HydrophobicContact CD2-CG 3.61Å; L563-F568 HydrophobicContact CD2-CZ 4.18Å; L563-F568 HydrophobicContact CG-CB 4.01Å; L563-F568 HydrophobicContact CG-CD2 4.21Å; L563-F568 HydrophobicContact CG-CG 4.08Å; L563-P581 HydrophobicContact CD1-CB 4.4Å; L563-P581 HydrophobicContact CD1-CG 4.35Å
564	D	43.7	Very low	40.5	Very low	79 Å²	79	83.1 Å²	83.1	42%	0.422	47%	0.473	S	S	.	.			trans	-34.4	118.2	-171.1	173.2	11.9	0	0	0	111.1	S562 K566 Q567 F568	S562-D564 PolarHBondContact O-N 2.86Å; S562-D564 VanDerWaalsContact O-N 3.15Å; D564-K566 CarbonylContact O-C 3.51Å; D564-K566 PolarHBondContact O-N 2.91Å; D564-K566 PolarHBondContact OD1-N 3.01Å; D564-Q567 HydrophobicContact CB-CB 4.47Å; D564-Q567 CarbonylContact O-C 3.57Å; D564-Q567 WeakPolarHBondContact O-CA 3.46Å; D564-Q567 PolarHBondContact O-N 3.47Å; D564-F568 PolarHBondContact O-N 2.91Å
565	I	46.4	Very low	41.9	Very low	123 Å²	123	87 Å²	87	63%	0.631	50%	0.499	S	S	*	.	H	α-helix	trans	-54.7	-29.9	-165.8	-61	174.8	0	0	0	111	L563 V569	L563-I565 PolarHBondContact O-N 3.45Å; L563-I565 VanDerWaalsContact O-N 3.1Å; I565-V569 HydrophobicContact CG2-CG2 4.39Å; I565-V569 VanDerWaalsContact O-CB 3.31Å; I565-V569 WeakPolarHBondContact O-CB 3.37Å; I565-V569 WeakPolarHBondContact O-CG2 3.43Å; I565-V569 PolarHBondContact O-N 3.21Å
566	K	43.2	Very low	43.6	Very low	158 Å²	158	88.3 Å²	88.3	69%	0.687	49%	0.491	S	S	*	.	H	α-helix	trans	-65.7	-52.2	172.7	-66.8	173.7	-178.5	171.7	0	112.5	D564 F568 V569 E570	D564-K566 CarbonylContact O-C 3.51Å; D564-K566 PolarHBondContact O-N 2.91Å; D564-K566 PolarHBondContact OD1-N 3.01Å; K566-F568 VanDerWaalsContact C-N 3.3Å; K566-F568 PolarHBondContact O-N 3.31Å; K566-V569 PolarHBondContact O-N 3.21Å; K566-E570 WeakPolarHBondContact O-CG 3.06Å; K566-E570 PolarHBondContact O-N 2.92Å
567	Q	50.4	Low	45.5	Very low	108 Å²	108	88.4 Å²	88.4	51%	0.505	48%	0.48	S	S	.	.	H	α-helix	trans	-65.5	-33.9	176.3	-169.9	175.8	3.4	0	0	111.8	D564 E570 E571	D564-Q567 HydrophobicContact CB-CB 4.47Å; D564-Q567 CarbonylContact O-C 3.57Å; D564-Q567 WeakPolarHBondContact O-CA 3.46Å; D564-Q567 PolarHBondContact O-N 3.47Å; Q567-E570 PolarHBondContact O-N 2.68Å; Q567-E571 PolarHBondContact O-N 3.41Å
568	F	50	Low	47.8	Very low	34 Å²	34	85.5 Å²	85.5	15%	0.149	46%	0.462	C	S	.	.	H	α-helix	trans	-63.2	-47.2	172.8	-174.6	-153.6	0	0	0	111.3	E525 L529 L563 D564 K566 E570 E571 L572	E525-F568 HydrophobicContact CB-CE1 3.8Å; E525-F568 HydrophobicContact CB-CE2 4.5Å; E525-F568 HydrophobicContact CB-CZ 3.46Å; E525-F568 VanDerWaalsContact CB-CZ 3.46Å; E525-F568 HydrophobicContact CG-CE1 4.28Å; E525-F568 HydrophobicContact CG-CZ 4.35Å; L529-F568 HydrophobicContact CD1-CE2 3.74Å; L529-F568 HydrophobicContact CD1-CZ 4.19Å; L529-F568 HydrophobicContact CD2-CE2 4.18Å; L529-F568 HydrophobicContact CG-CE2 4.02Å; L563-F568 HydrophobicContact CD2-CB 4.12Å; L563-F568 HydrophobicContact CD2-CD1 4.06Å; L563-F568 HydrophobicContact CD2-CD2 3.46Å; L563-F568 VanDerWaalsContact CD2-CD2 3.46Å; L563-F568 HydrophobicContact CD2-CE1 4.33Å; L563-F568 HydrophobicContact CD2-CE2 3.79Å; L563-F568 HydrophobicContact CD2-CG 3.61Å; L563-F568 HydrophobicContact CD2-CZ 4.18Å; L563-F568 HydrophobicContact CG-CB 4.01Å; L563-F568 HydrophobicContact CG-CD2 4.21Å; L563-F568 HydrophobicContact CG-CG 4.08Å; D564-F568 PolarHBondContact O-N 2.91Å; K566-F568 VanDerWaalsContact C-N 3.3Å; K566-F568 PolarHBondContact O-N 3.31Å; F568-E570 VanDerWaalsContact C-N 3.32Å; F568-E570 PolarHBondContact O-N 2.9Å; F568-E571 CarbonylContact O-C 3.53Å; F568-E571 PolarHBondContact O-N 3.2Å; F568-L572 HydrophobicContact CD1-CD1 4.21Å; F568-L572 HydrophobicContact CD2-CD1 3.92Å; F568-L572 HydrophobicContact CD2-CG 3.91Å; F568-L572 HydrophobicContact CE1-CD1 4.07Å; F568-L572 HydrophobicContact CE2-CD1 3.74Å; F568-L572 HydrophobicContact CE2-CD2 3.96Å; F568-L572 HydrophobicContact CE2-CG 3.74Å; F568-L572 HydrophobicContact CG-CD1 4.16Å; F568-L572 HydrophobicContact CZ-CD1 3.85Å; F568-L572 HydrophobicContact CZ-CD2 4.4Å; F568-L572 HydrophobicContact CZ-CG 4.31Å; F568-L572 WeakPolarHBondContact O-CB 3.34Å; F568-L572 VanDerWaalsContact O-CG 3.3Å; F568-L572 WeakPolarHBondContact O-CG 3.35Å; F568-L572 PolarHBondContact O-N 2.93Å
569	V	51.4	Low	50.1	Low	76 Å²	76	85.5 Å²	85.5	46%	0.461	46%	0.459	S	S	.	.	H	α-helix	trans	-62.6	-36.9	175.5	167.2	0	0	0	0	111.7	I565 K566 L572 T573	I565-V569 HydrophobicContact CG2-CG2 4.39Å; I565-V569 VanDerWaalsContact O-CB 3.31Å; I565-V569 WeakPolarHBondContact O-CB 3.37Å; I565-V569 WeakPolarHBondContact O-CG2 3.43Å; I565-V569 PolarHBondContact O-N 3.21Å; K566-V569 PolarHBondContact O-N 3.21Å; V569-L572 PolarHBondContact O-N 2.95Å; V569-T573 WeakPolarHBondContact O-CG2 3.46Å; V569-T573 PolarHBondContact O-N 3.11Å; V569-T573 PolarHBondContact O-OG1 3.38Å
570	E	54.4	Low	52.7	Low	127 Å²	127	80.6 Å²	80.6	59%	0.593	43%	0.428	S	S	*	.	H	α-helix	trans	-66.1	-37.5	172.7	-73	-179	175.3	0	0	113.4	K566 Q567 F568 T573 N574	K566-E570 WeakPolarHBondContact O-CG 3.06Å; K566-E570 PolarHBondContact O-N 2.92Å; Q567-E570 PolarHBondContact O-N 2.68Å; F568-E570 VanDerWaalsContact C-N 3.32Å; F568-E570 PolarHBondContact O-N 2.9Å; E570-T573 PolarHBondContact O-N 3.4Å; E570-T573 PolarHBondContact O-OG1 2.74Å; E570-T573 VanDerWaalsContact O-OG1 3.04Å; E570-N574 PolarHBondContact O-N 3Å; E570-N574 PolarHBondContact O-ND2 3.21Å; E570-N574 VanDerWaalsContact O-ND2 3.14Å
571	E	52.6	Low	55.1	Low	51 Å²	51	77 Å²	77	24%	0.238	40%	0.403	C	S	.	.	H	α-helix	trans	-76.3	-23.9	171.9	-70.2	-160.6	-151.9	0	0	112.8	K532 Q567 F568 T579	K532-E571 PolarHBondContact NZ-O 2.7Å; Q567-E571 PolarHBondContact O-N 3.41Å; F568-E571 CarbonylContact O-C 3.53Å; F568-E571 PolarHBondContact O-N 3.2Å; E571-T579 PolarHBondContact OE2-N 3.2Å
572	L	53.9	Low	57.7	Low	38 Å²	38	75.6 Å²	75.6	20%	0.199	39%	0.394	C	S	.	.	H	α-helix	trans	-71.2	-35.3	169.1	-73.4	169.1	0	0	0	112	E525 L529 K532 F568 V569 N574	E525-L572 HydrophobicContact CB-CD1 4.2Å; E525-L572 HydrophobicContact CG-CD1 4.12Å; L529-L572 HydrophobicContact CD2-CD2 4.23Å; K532-L572 VanDerWaalsContact NZ-C 3.33Å; K532-L572 PolarHBondContact NZ-O 3.16Å; F568-L572 HydrophobicContact CD1-CD1 4.21Å; F568-L572 HydrophobicContact CD2-CD1 3.92Å; F568-L572 HydrophobicContact CD2-CG 3.91Å; F568-L572 HydrophobicContact CE1-CD1 4.07Å; F568-L572 HydrophobicContact CE2-CD1 3.74Å; F568-L572 HydrophobicContact CE2-CD2 3.96Å; F568-L572 HydrophobicContact CE2-CG 3.74Å; F568-L572 HydrophobicContact CG-CD1 4.16Å; F568-L572 HydrophobicContact CZ-CD1 3.85Å; F568-L572 HydrophobicContact CZ-CD2 4.4Å; F568-L572 HydrophobicContact CZ-CG 4.31Å; F568-L572 WeakPolarHBondContact O-CB 3.34Å; F568-L572 VanDerWaalsContact O-CG 3.3Å; F568-L572 WeakPolarHBondContact O-CG 3.35Å; F568-L572 PolarHBondContact O-N 2.93Å; V569-L572 PolarHBondContact O-N 2.95Å; L572-N574 VanDerWaalsContact C-N 3.33Å; L572-N574 PolarHBondContact O-N 3.36Å
573	T	55.8	Low	60.5	Low	101 Å²	101	74.5 Å²	74.5	62%	0.62	39%	0.386	S	S	*	.	H	α-helix	trans	-75	-17.5	173.6	58	0	0	0	0	114	V569 E570 V575	V569-T573 WeakPolarHBondContact O-CG2 3.46Å; V569-T573 PolarHBondContact O-N 3.11Å; V569-T573 PolarHBondContact O-OG1 3.38Å; E570-T573 PolarHBondContact O-N 3.4Å; E570-T573 PolarHBondContact O-OG1 2.74Å; E570-T573 VanDerWaalsContact O-OG1 3.04Å; T573-V575 PolarHBondContact O-N 3.29Å
574	N	57.1	Low	62.8	Low	96 Å²	96	75.8 Å²	75.8	51%	0.513	40%	0.396	S	S	.	.	S	Bend	trans	-71.8	122.1	173.5	-95	-76.3	0	0	0	112.4	K532 E570 L572 Q576	K532-N574 PolarHBondContact NZ-O 3.33Å; E570-N574 PolarHBondContact O-N 3Å; E570-N574 PolarHBondContact O-ND2 3.21Å; E570-N574 VanDerWaalsContact O-ND2 3.14Å; L572-N574 VanDerWaalsContact C-N 3.33Å; L572-N574 PolarHBondContact O-N 3.36Å; N574-Q576 PolarHBondContact O-N 3.04Å
575	V	56.7	Low	65	Low	133 Å²	133	72.5 Å²	72.5	81%	0.806	38%	0.378	S	S	*	.	S	Bend	trans	-78.8	-15.8	-154.5	-166.5	0	0	0	0	115.1	T573	T573-V575 PolarHBondContact O-N 3.29Å
576	Q	62.4	Low	67.1	Low	154 Å²	154	67.1 Å²	67.1	72%	0.72	35%	0.35	S	S	*	.	S	Bend	trans	-138.3	-24.1	-174.1	-69.6	-172.2	-12.4	0	0	116.7	N574	N574-Q576 PolarHBondContact O-N 3.04Å
577	Q	65.5	Low	69.3	Low	105 Å²	105	60 Å²	60	49%	0.491	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	144.1	-171.8	-66.1	180	14.4	0	0	110.7
578	W	75.9	Confident	70.8	Confident	8 Å²	8	56 Å²	56	3%	0.03	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	158.4	174.6	69.1	-69.9	0	0	0	109.5	L529 K532 P534 Y535 P580 F603 L630 F633	L529-W578 HydrophobicContact CB-CH2 4.23Å; L529-W578 HydrophobicContact CB-CZ2 4.04Å; L529-W578 HydrophobicContact CD1-CE3 4.17Å; L529-W578 HydrophobicContact CD1-CH2 3.91Å; L529-W578 HydrophobicContact CD1-CZ2 4.49Å; L529-W578 HydrophobicContact CD1-CZ3 3.73Å; L529-W578 HydrophobicContact CD2-CD2 3.76Å; L529-W578 HydrophobicContact CD2-CE3 3.84Å; L529-W578 HydrophobicContact CD2-CG 4.09Å; L529-W578 HydrophobicContact CD2-CZ2 4.5Å; L529-W578 HydrophobicContact CD2-CZ3 4.23Å; L529-W578 HydrophobicContact CG-CH2 4.48Å; L529-W578 HydrophobicContact CG-CZ3 4.44Å; L529-W578 PolarHBondContact O-NE1 2.82Å; K532-W578 VanDerWaalsContact CB-CD1 3.43Å; K532-W578 HydrophobicContact CB-CG 4.42Å; K532-W578 PolarHBondContact O-NE1 3.31Å; P534-W578 HydrophobicContact CB-CZ2 4.2Å; Y535-W578 PolarHBondContact N-O 2.92Å; W578-P580 HydrophobicContact CD2-CG 4.3Å; W578-P580 HydrophobicContact CE3-CB 4.32Å; W578-P580 HydrophobicContact CE3-CG 4.07Å; W578-P580 HydrophobicContact CH2-CB 3.92Å; W578-P580 HydrophobicContact CH2-CG 3.77Å; W578-P580 HydrophobicContact CZ2-CG 3.99Å; W578-P580 VanDerWaalsContact CZ3-CA 3.5Å; W578-P580 HydrophobicContact CZ3-CB 3.75Å; W578-P580 HydrophobicContact CZ3-CG 3.82Å; W578-F603 AromaticContact CH2-CZ 3.88Å; W578-F603 HydrophobicContact CH2-CZ 3.88Å; W578-F603 HydrophobicContact CZ2-CZ 4.13Å; W578-L630 HydrophobicContact CH2-CD2 3.61Å; W578-L630 HydrophobicContact CZ3-CD2 3.94Å; W578-F633 HydrophobicContact CH2-CE1 4.19Å; W578-F633 HydrophobicContact CH2-CE2 4.32Å; W578-F633 AromaticContact CH2-CZ 3.87Å; W578-F633 HydrophobicContact CH2-CZ 3.87Å; W578-F633 AromaticContact CZ2-CE1 3.85Å; W578-F633 HydrophobicContact CZ2-CE1 3.85Å; W578-F633 AromaticContact CZ2-CZ 3.78Å; W578-F633 HydrophobicContact CZ2-CZ 3.78Å
579	T	73.2	Confident	72.3	Confident	66 Å²	66	55 Å²	55	41%	0.405	30%	0.296	S	S	.	.			trans	-113.8	106.9	179.3	-58.4	0	0	0	0	110	E571	E571-T579 PolarHBondContact OE2-N 3.2Å
580	P	80.6	Confident	73.7	Confident	1 Å²	1	51.7 Å²	51.7	1%	0.006	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-56.8	146.7	-174.5	-24.7	31	0	0	0	113.2	P534 W578 R599 P602 F603	P534-P580 HydrophobicContact CB-CG 3.65Å; W578-P580 HydrophobicContact CD2-CG 4.3Å; W578-P580 HydrophobicContact CE3-CB 4.32Å; W578-P580 HydrophobicContact CE3-CG 4.07Å; W578-P580 HydrophobicContact CH2-CB 3.92Å; W578-P580 HydrophobicContact CH2-CG 3.77Å; W578-P580 HydrophobicContact CZ2-CG 3.99Å; W578-P580 VanDerWaalsContact CZ3-CA 3.5Å; W578-P580 HydrophobicContact CZ3-CB 3.75Å; W578-P580 HydrophobicContact CZ3-CG 3.82Å; P580-R599 VanDerWaalsContact O-CZ 3.25Å; P580-R599 PolarHBondContact O-NH1 2.77Å; P580-R599 PolarHBondContact O-NH2 3Å; P580-P602 HydrophobicContact CG-CB 4.11Å; P580-F603 HydrophobicContact CB-CD1 4.46Å; P580-F603 HydrophobicContact CB-CE1 3.73Å; P580-F603 HydrophobicContact CB-CE2 4.16Å; P580-F603 HydrophobicContact CB-CZ 3.55Å; P580-F603 HydrophobicContact CG-CD2 4.4Å; P580-F603 HydrophobicContact CG-CE1 4.14Å; P580-F603 HydrophobicContact CG-CE2 3.63Å; P580-F603 HydrophobicContact CG-CZ 3.48Å; P580-F603 VanDerWaalsContact CG-CZ 3.48Å
581	P	80.4	Confident	75.3	Confident	20 Å²	20	45.8 Å²	45.8	13%	0.13	25%	0.249	C	C	.	.	P	Polyproline II helix	trans	-55.3	147.6	176.8	22.1	-32.6	0	0	0	111.2	L563 L630	L563-P581 HydrophobicContact CD1-CB 4.4Å; L563-P581 HydrophobicContact CD1-CG 4.35Å; P581-L630 HydrophobicContact CG-CB 4.27Å; P581-L630 HydrophobicContact CG-CD2 4.45Å
582	C	84	Confident	77.2	Confident	38 Å²	38	43.9 Å²	43.9	26%	0.257	24%	0.242	S	C	.	.	P	Polyproline II helix	trans	-85.1	126.4	178.7	-168.3	0	0	0	0	110.1	I542 V584 N628	I542-C582 VanDerWaalsContact CD1-SG 3.59Å; C582-V584 PolarHBondContact O-N 3.18Å; C582-N628 PolarHBondContact O-ND2 3.2Å
583	L	91.4	Very high	79.1	Confident	2 Å²	2	42.5 Å²	42.5	1%	0.01	24%	0.235	C	C	.	.	P	Polyproline II helix	trans	-55.4	136.4	167.5	-69.5	-177	0	0	0	109.8	F585 Y605 I626 Q627 I629 Y635 F637 F701	L583-F585 HydrophobicContact CB-CD2 4.25Å; L583-F585 HydrophobicContact CB-CE2 3.53Å; L583-F585 HydrophobicContact CB-CZ 3.98Å; L583-F585 HydrophobicContact CD1-CE2 4.41Å; L583-F585 HydrophobicContact CD1-CZ 4.03Å; L583-F585 WeakPolarHBondContact O-CD2 3.31Å; L583-Y605 HydrophobicContact CB-CE1 4.07Å; L583-Y605 HydrophobicContact CD1-CD2 4.32Å; L583-Y605 HydrophobicContact CD1-CE2 3.97Å; L583-Y605 HydrophobicContact CG-CE1 4.48Å; L583-Y605 HydrophobicContact CG-CE2 4.2Å; L583-Y605 PolarHBondContact N-OH 2.87Å; L583-Y605 VanDerWaalsContact N-OH 3.16Å; L583-I626 HydrophobicContact CB-CG2 4.33Å; L583-I626 HydrophobicContact CD1-CG2 4.02Å; L583-I626 HydrophobicContact CD2-CG2 3.79Å; L583-I626 HydrophobicContact CG-CG2 4.26Å; L583-Q627 WeakPolarHBondContact CA-O 3.29Å; L583-I629 HydrophobicContact CD2-CG1 3.94Å; L583-Y635 HydrophobicContact CD1-CD1 3.53Å; L583-Y635 HydrophobicContact CD1-CE1 3.65Å; L583-Y635 HydrophobicContact CD1-CG 4.36Å; L583-Y635 HydrophobicContact CD2-CD1 4.39Å; L583-Y635 HydrophobicContact CD2-CE1 3.68Å; L583-Y635 HydrophobicContact CG-CD1 3.99Å; L583-Y635 HydrophobicContact CG-CE1 3.54Å; L583-F637 HydrophobicContact CD1-CE1 3.98Å; L583-F637 HydrophobicContact CD1-CZ 3.77Å; L583-F701 HydrophobicContact CD1-CE2 4.27Å
584	V	88.9	Confident	81	Confident	73 Å²	73	37.7 Å²	37.7	44%	0.442	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	122.4	176.5	175.9	0	0	0	0	108.3	C582 I626 Q627 N628	C582-V584 PolarHBondContact O-N 3.18Å; V584-I626 CarbonylContact O-C 3.6Å; V584-I626 WeakPolarHBondContact O-CA 3.42Å; V584-Q627 HydrophobicContact CB-CB 4.31Å; V584-Q627 PolarHBondContact N-O 2.8Å; V584-Q627 PolarHBondContact O-N 3.3Å; V584-N628 HydrophobicContact CB-CB 4.46Å; V584-N628 HydrophobicContact CG2-CB 3.88Å
585	F	91.7	Very high	82.7	Confident	10 Å²	10	34.3 Å²	34.3	4%	0.044	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	149	-177.5	-64.6	-102.5	0	0	0	111.4	I542 F543 L583 L594 V597 Y605 F624 R625 I626 F637	I542-F585 HydrophobicContact CD1-CD2 3.75Å; I542-F585 HydrophobicContact CD1-CE2 3.54Å; I542-F585 HydrophobicContact CG1-CD2 4.44Å; F543-F585 HydrophobicContact CB-CB 3.91Å; F543-F585 HydrophobicContact CD1-CB 4.43Å; F543-F585 HydrophobicContact CD2-CB 4.36Å; F543-F585 WeakPolarHBondContact CD2-O 3.44Å; F543-F585 WeakPolarHBondContact CE2-O 3.35Å; F543-F585 HydrophobicContact CG-CB 3.97Å; L583-F585 HydrophobicContact CB-CD2 4.25Å; L583-F585 HydrophobicContact CB-CE2 3.53Å; L583-F585 HydrophobicContact CB-CZ 3.98Å; L583-F585 HydrophobicContact CD1-CE2 4.41Å; L583-F585 HydrophobicContact CD1-CZ 4.03Å; L583-F585 WeakPolarHBondContact O-CD2 3.31Å; F585-L594 HydrophobicContact CB-CD2 4.32Å; F585-L594 HydrophobicContact CD1-CD2 4.08Å; F585-V597 HydrophobicContact CB-CG2 4.17Å; F585-V597 HydrophobicContact CD1-CG2 3.84Å; F585-V597 HydrophobicContact CD2-CB 4.28Å; F585-V597 HydrophobicContact CD2-CG1 4.11Å; F585-V597 HydrophobicContact CD2-CG2 4.18Å; F585-V597 HydrophobicContact CE1-CG1 4.28Å; F585-V597 HydrophobicContact CE1-CG2 4.23Å; F585-V597 HydrophobicContact CE2-CB 4.48Å; F585-V597 HydrophobicContact CE2-CG1 3.81Å; F585-V597 HydrophobicContact CG-CB 4.4Å; F585-V597 HydrophobicContact CG-CG1 4.49Å; F585-V597 HydrophobicContact CG-CG2 3.81Å; F585-V597 HydrophobicContact CZ-CG1 3.9Å; F585-Y605 AromaticContact CE2-CD1 3.71Å; F585-Y605 HydrophobicContact CE2-CD1 3.71Å; F585-Y605 AromaticContact CE2-CE1 3.91Å; F585-Y605 HydrophobicContact CE2-CE1 3.91Å; F585-Y605 HydrophobicContact CE2-CG 4.47Å; F585-Y605 AromaticContact CZ-CD1 3.84Å; F585-Y605 HydrophobicContact CZ-CD1 3.84Å; F585-Y605 HydrophobicContact CZ-CE1 4.35Å; F585-Y605 HydrophobicContact CZ-CG 4.15Å; F585-F624 AromaticContact CD1-CD2 3.99Å; F585-F624 HydrophobicContact CD1-CD2 3.99Å; F585-F624 HydrophobicContact CD1-CE2 4.11Å; F585-F624 HydrophobicContact CE1-CD2 4.44Å; F585-F624 HydrophobicContact CE1-CE2 4.1Å; F585-R625 WeakPolarHBondContact CA-O 3.41Å; F585-I626 HydrophobicContact CD1-CD1 4.39Å; F585-I626 HydrophobicContact CD1-CG1 3.87Å; F585-I626 HydrophobicContact CE1-CD1 3.84Å; F585-I626 HydrophobicContact CE1-CG1 3.81Å; F585-I626 HydrophobicContact CZ-CD1 4.47Å; F585-F637 HydrophobicContact CE1-CE1 4.03Å; F585-F637 AromaticContact CZ-CE1 3.96Å; F585-F637 HydrophobicContact CZ-CE1 3.96Å
586	E	89.8	Confident	84.4	Confident	10 Å²	10	28.1 Å²	28.1	5%	0.047	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	144.8	169.9	-176.4	57.1	-85.8	0	0	111.6	F543 R588 F589 F624 R625	F543-E586 WeakPolarHBondContact CE2-OE1 3.48Å; E586-R588 VanDerWaalsContact OE1-CB 3.22Å; E586-R588 WeakPolarHBondContact OE1-CB 3.17Å; E586-R588 WeakPolarHBondContact OE1-CG 3.28Å; E586-R588 IonicContact OE1-CZ 3.23Å; E586-R588 PolarHBondContact OE1-N 3.35Å; E586-R588 IonicContact OE1-NE 3.23Å; E586-R588 PolarHBondContact OE1-NE 3.02Å; E586-R588 IonicContact OE1-NH2 2.83Å; E586-R588 IonicContact OE2-CZ 3.58Å; E586-R588 IonicContact OE2-NE 3.53Å; E586-R588 PolarHBondContact OE2-NE 2.92Å; E586-R588 VanDerWaalsContact OE2-NE 3.12Å; E586-R588 IonicContact OE2-NH2 2.73Å; E586-R588 PolarHBondContact OE2-NH2 3.16Å; E586-F589 HydrophobicContact CB-CE1 4.47Å; E586-F589 HydrophobicContact CG-CD1 4.12Å; E586-F589 HydrophobicContact CG-CE1 4.27Å; E586-F589 VanDerWaalsContact O-CE1 3.31Å; E586-F589 WeakPolarHBondContact O-CE1 3.39Å; E586-F624 CarbonylContact O-C 3.37Å; E586-F624 VanDerWaalsContact O-CA 3.29Å; E586-F624 WeakPolarHBondContact O-CA 3.29Å; E586-F624 VanDerWaalsContact O-CB 3.32Å; E586-F624 WeakPolarHBondContact O-CB 3.44Å; E586-R625 HydrophobicContact CB-CB 4.21Å; E586-R625 PolarHBondContact N-O 3.29Å; E586-R625 VanDerWaalsContact N-O 3.1Å; E586-R625 PolarHBondContact O-N 2.93Å
587	S	88.4	Confident	85.9	Confident	8 Å²	8	20.8 Å²	20.8	6%	0.056	11%	0.114	C	C	.	.			trans	-140.8	2.4	173	66.4	0	0	0	0	113.8	F543 F589 G592 L594	F543-S587 WeakPolarHBondContact CE1-OG 3.46Å; F543-S587 VanDerWaalsContact CZ-OG 3.28Å; F543-S587 WeakPolarHBondContact CZ-OG 3.43Å; S587-F589 PolarHBondContact O-N 2.92Å; S587-G592 WeakPolarHBondContact O-CA 3.39Å; S587-L594 PolarHBondContact OG-O 3.03Å
588	R	82.7	Confident	87.1	Confident	24 Å²	24	16.6 Å²	16.6	9%	0.091	9%	0.093	C	C	.	.			trans	-81.7	60.7	177.9	-63.5	169.1	-67.2	-162	2.9	110.8	W487 C547 E586	W487-R588 HydrophobicContact CE3-CB 3.96Å; W487-R588 HydrophobicContact CZ3-CB 3.77Å; W487-R588 HydrophobicContact CZ3-CG 4.47Å; C547-R588 PolarHBondContact O-NH1 3.29Å; E586-R588 VanDerWaalsContact OE1-CB 3.22Å; E586-R588 WeakPolarHBondContact OE1-CB 3.17Å; E586-R588 WeakPolarHBondContact OE1-CG 3.28Å; E586-R588 IonicContact OE1-CZ 3.23Å; E586-R588 PolarHBondContact OE1-N 3.35Å; E586-R588 IonicContact OE1-NE 3.23Å; E586-R588 PolarHBondContact OE1-NE 3.02Å; E586-R588 IonicContact OE1-NH2 2.83Å; E586-R588 IonicContact OE2-CZ 3.58Å; E586-R588 IonicContact OE2-NE 3.53Å; E586-R588 PolarHBondContact OE2-NE 2.92Å; E586-R588 VanDerWaalsContact OE2-NE 3.12Å; E586-R588 IonicContact OE2-NH2 2.73Å; E586-R588 PolarHBondContact OE2-NH2 3.16Å
589	F	81.4	Confident	87.9	Confident	14 Å²	14	16.9 Å²	16.9	6%	0.061	10%	0.095	C	C	.	.	S	Bend	trans	-145.2	173	172.4	50.9	-102.1	0	0	0	110	E586 S587 S591 G592 F623 R625 Y709	E586-F589 HydrophobicContact CB-CE1 4.47Å; E586-F589 HydrophobicContact CG-CD1 4.12Å; E586-F589 HydrophobicContact CG-CE1 4.27Å; E586-F589 VanDerWaalsContact O-CE1 3.31Å; E586-F589 WeakPolarHBondContact O-CE1 3.39Å; S587-F589 PolarHBondContact O-N 2.92Å; F589-S591 PolarHBondContact O-N 3.07Å; F589-G592 PolarHBondContact O-N 3.49Å; F589-F623 HydrophobicContact CD2-CE1 4.24Å; F589-F623 AromaticContact CE2-CD1 3.77Å; F589-F623 HydrophobicContact CE2-CD1 3.77Å; F589-F623 HydrophobicContact CE2-CD2 4.29Å; F589-F623 AromaticContact CE2-CE1 3.67Å; F589-F623 HydrophobicContact CE2-CE1 3.67Å; F589-F623 HydrophobicContact CE2-CE2 4.19Å; F589-F623 HydrophobicContact CE2-CG 4.08Å; F589-F623 AromaticContact CE2-CZ 3.89Å; F589-F623 HydrophobicContact CE2-CZ 3.89Å; F589-R625 HydrophobicContact CE1-CB 3.94Å; F589-R625 HydrophobicContact CZ-CB 4.37Å; F589-Y709 HydrophobicContact CE1-CE1 4.06Å; F589-Y709 HydrophobicContact CE2-CD1 4.41Å; F589-Y709 HydrophobicContact CE2-CE1 4.22Å; F589-Y709 AromaticContact CZ-CD1 3.9Å; F589-Y709 HydrophobicContact CZ-CD1 3.9Å; F589-Y709 AromaticContact CZ-CE1 3.74Å; F589-Y709 HydrophobicContact CZ-CE1 3.74Å
590	E	81	Confident	88.7	Confident	7 Å²	7	16.8 Å²	16.8	3%	0.033	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	131	-175.8	-166.6	-162.7	176.5	0	0	112	T497 G592 T717 Y718 T719 I814	T497-E590 WeakPolarHBondContact OG1-CB 3.46Å; E590-G592 PolarHBondContact O-N 3.49Å; E590-G592 VanDerWaalsContact O-N 3.16Å; E590-T717 VanDerWaalsContact CD-CB 3.42Å; E590-T717 WeakPolarHBondContact OE1-CB 3.45Å; E590-T717 VanDerWaalsContact OE2-CB 3.25Å; E590-T717 WeakPolarHBondContact OE2-CB 3.44Å; E590-T717 PolarHBondContact OE2-OG1 3.21Å; E590-Y718 VanDerWaalsContact OE1-CA 3.24Å; E590-Y718 WeakPolarHBondContact OE1-CA 3.34Å; E590-Y718 WeakPolarHBondContact OE1-CB 3.41Å; E590-Y718 PolarHBondContact OE1-N 3.34Å; E590-T719 PolarHBondContact OE1-N 3.13Å; E590-T719 WeakPolarHBondContact OE2-CB 3.28Å; E590-T719 PolarHBondContact OE2-N 2.83Å; E590-T719 PolarHBondContact OE2-OG1 3.19Å; E590-I814 HydrophobicContact CG-CB 4.42Å; E590-I814 HydrophobicContact CG-CG1 4.26Å; E590-I814 HydrophobicContact CG-CG2 4.46Å
591	S	89.1	Confident	89.2	Confident	3 Å²	3	17.1 Å²	17.1	2%	0.021	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.6	2.2	-173.3	-43.1	0	0	0	0	115.6	F589 W621 V813 I814	F589-S591 PolarHBondContact O-N 3.07Å; S591-W621 PolarHBondContact O-NE1 3.01Å; S591-V813 WeakPolarHBondContact CA-O 3.23Å; S591-V813 PolarHBondContact N-O 3.1Å; S591-V813 VanDerWaalsContact OG-CG1 3.29Å; S591-V813 WeakPolarHBondContact OG-CG1 3.36Å; S591-V813 PolarHBondContact OG-O 3.4Å; S591-I814 PolarHBondContact N-O 3.46Å
592	G	91.6	Very high	89.6	Confident	10 Å²	10	17.6 Å²	17.6	10%	0.103	10%	0.098	C	C	.	.			trans	-65.5	135.1	177.3	0	0	0	0	0	112.4	S587 F589 E590 F623	S587-G592 WeakPolarHBondContact O-CA 3.39Å; F589-G592 PolarHBondContact O-N 3.49Å; E590-G592 PolarHBondContact O-N 3.49Å; E590-G592 VanDerWaalsContact O-N 3.16Å; G592-F623 CarbonylContact C-O 3.5Å; G592-F623 WeakPolarHBondContact CA-O 3.48Å
593	N	94.5	Very high	90	Very high	9 Å²	9	16.6 Å²	16.6	5%	0.048	9%	0.089	C	C	.	.	B	Isolated β-bridge	trans	-144.3	109.8	172.8	-172.2	-27.6	0	0	0	111.1	K610 Y622 F623 G816	N593-K610 PolarHBondContact ND2-O 2.79Å; N593-K610 VanDerWaalsContact OD1-CB 3.29Å; N593-K610 WeakPolarHBondContact OD1-CB 3.35Å; N593-K610 PolarHBondContact OD1-N 3.44Å; N593-K610 PolarHBondContact OD1-O 2.66Å; N593-Y622 WeakPolarHBondContact O-CA 3.33Å; N593-F623 PolarHBondContact N-O 3.26Å; N593-F623 PolarHBondContact O-N 3.45Å; N593-G816 PolarHBondContact ND2-O 3.42Å
594	L	94.8	Very high	90.2	Very high	1 Å²	1	20.6 Å²	20.6	1%	0.005	11%	0.107	C	C	.	.			trans	-160.5	127.3	164.9	-177.2	60.3	0	0	0	105.7	F543 S545 F585 S587 V597 L607 L609 F624	F543-L594 HydrophobicContact CD1-CD2 4.13Å; F543-L594 HydrophobicContact CD1-CG 4.28Å; F543-L594 HydrophobicContact CE1-CB 4.33Å; F543-L594 HydrophobicContact CE1-CD2 4.28Å; F543-L594 HydrophobicContact CE1-CG 4.23Å; S545-L594 VanDerWaalsContact CB-O 3.3Å; S545-L594 WeakPolarHBondContact CB-O 3.18Å; S545-L594 PolarHBondContact OG-O 3.18Å; F585-L594 HydrophobicContact CB-CD2 4.32Å; F585-L594 HydrophobicContact CD1-CD2 4.08Å; S587-L594 PolarHBondContact OG-O 3.03Å; L594-V597 HydrophobicContact CD1-CG2 4.13Å; L594-V597 HydrophobicContact CD2-CG2 3.41Å; L594-V597 VanDerWaalsContact CD2-CG2 3.41Å; L594-V597 HydrophobicContact CG-CG2 3.93Å; L594-L607 HydrophobicContact CD1-CB 4.01Å; L594-L607 HydrophobicContact CD1-CD2 3.94Å; L594-L607 HydrophobicContact CD1-CG 4.22Å; L594-L609 HydrophobicContact CD1-CD2 3.95Å; L594-F624 HydrophobicContact CB-CB 4.03Å; L594-F624 HydrophobicContact CB-CD1 4.19Å; L594-F624 HydrophobicContact CB-CG 4.3Å; L594-F624 HydrophobicContact CD1-CD1 4.38Å; L594-F624 HydrophobicContact CD1-CE1 4.5Å; L594-F624 HydrophobicContact CD2-CB 3.79Å; L594-F624 HydrophobicContact CD2-CD1 4.05Å; L594-F624 HydrophobicContact CD2-CD2 3.91Å; L594-F624 HydrophobicContact CD2-CE2 4.47Å; L594-F624 HydrophobicContact CD2-CG 3.67Å; L594-F624 HydrophobicContact CG-CD1 4.46Å
595	R	92	Very high	90.5	Very high	24 Å²	24	17.1 Å²	17.1	9%	0.091	9%	0.086	C	C	.	.			trans	-90.4	-41.1	-176.8	171.8	57.5	-168.1	72.3	-15.8	112.3	D544 S545 E546 L608 K610	D544-R595 IonicContact OD1-CZ 2.73Å; D544-R595 VanDerWaalsContact OD1-CZ 3.23Å; D544-R595 IonicContact OD1-NH1 3.2Å; D544-R595 PolarHBondContact OD1-NH1 3.32Å; D544-R595 IonicContact OD1-NH2 3.16Å; D544-R595 PolarHBondContact OD1-NH2 3.41Å; D544-R595 IonicContact OD2-CZ 3.41Å; D544-R595 IonicContact OD2-NH1 2.84Å; D544-R595 PolarHBondContact OD2-NH1 2.89Å; D544-R595 IonicContact OD2-NH2 3.92Å; S545-R595 PolarHBondContact N-O 2.73Å; S545-R595 PolarHBondContact OG-O 2.95Å; E546-R595 IonicContact OE1-NE 3.95Å; E546-R595 PolarHBondContact OE1-NE 2.96Å; E546-R595 IonicContact OE2-CZ 3.67Å; E546-R595 IonicContact OE2-NE 3.94Å; E546-R595 PolarHBondContact OE2-NE 2.83Å; E546-R595 IonicContact OE2-NH2 3.17Å; E546-R595 PolarHBondContact OE2-NH2 2.9Å; R595-L608 WeakPolarHBondContact CA-O 3.28Å; R595-L608 HydrophobicContact CB-CD2 4.42Å; R595-L608 HydrophobicContact CB-CG 4.42Å; R595-L608 WeakPolarHBondContact CB-O 3.45Å; R595-L608 HydrophobicContact CG-CD2 3.94Å; R595-L608 HydrophobicContact CG-CG 4.45Å; R595-L608 PolarHBondContact N-O 2.8Å; R595-K610 HydrophobicContact CB-CB 4.01Å
596	Q	93.1	Very high	90.6	Very high	3 Å²	3	17 Å²	17	1%	0.014	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	150	179.8	-165.7	178	78.5	0	0	110.3	V541 F543 D544 R598 L608 N683	V541-Q596 HydrophobicContact CG1-CG 3.81Å; F543-Q596 CarbonylContact O-C 3.55Å; F543-Q596 VanDerWaalsContact O-CA 3.3Å; F543-Q596 WeakPolarHBondContact O-CA 3.45Å; F543-Q596 WeakPolarHBondContact O-CG 3.41Å; D544-Q596 HydrophobicContact CB-CG 4.47Å; D544-Q596 PolarHBondContact OD2-NE2 3.12Å; Q596-R598 HydrophobicContact CG-CG 4.36Å; Q596-L608 HydrophobicContact CB-CB 4.08Å; Q596-L608 HydrophobicContact CB-CD2 4.25Å; Q596-L608 PolarHBondContact N-O 3.47Å; Q596-L608 VanDerWaalsContact N-O 3.08Å; Q596-L608 PolarHBondContact O-N 3.14Å; Q596-N683 PolarHBondContact OE1-ND2 2.96Å; Q596-N683 VanDerWaalsContact OE1-ND2 3.12Å
597	V	94.1	Very high	91	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	138.7	164.4	-170.5	0	0	0	0	109.8	I542 F543 F585 L594 Y605 E606 L607	I542-V597 HydrophobicContact CD1-CB 4.27Å; I542-V597 HydrophobicContact CD1-CG1 3.82Å; I542-V597 HydrophobicContact CG1-CB 3.9Å; I542-V597 HydrophobicContact CG1-CG1 3.95Å; I542-V597 WeakPolarHBondContact CG1-O 3.23Å; I542-V597 PolarHBondContact N-O 3.09Å; F543-V597 HydrophobicContact CB-CB 4.17Å; F543-V597 HydrophobicContact CB-CG2 4.17Å; F543-V597 HydrophobicContact CD1-CG2 4.23Å; F543-V597 PolarHBondContact N-O 3.05Å; F543-V597 PolarHBondContact O-N 3.18Å; F585-V597 HydrophobicContact CB-CG2 4.17Å; F585-V597 HydrophobicContact CD1-CG2 3.84Å; F585-V597 HydrophobicContact CD2-CB 4.28Å; F585-V597 HydrophobicContact CD2-CG1 4.11Å; F585-V597 HydrophobicContact CD2-CG2 4.18Å; F585-V597 HydrophobicContact CE1-CG1 4.28Å; F585-V597 HydrophobicContact CE1-CG2 4.23Å; F585-V597 HydrophobicContact CE2-CB 4.48Å; F585-V597 HydrophobicContact CE2-CG1 3.81Å; F585-V597 HydrophobicContact CG-CB 4.4Å; F585-V597 HydrophobicContact CG-CG1 4.49Å; F585-V597 HydrophobicContact CG-CG2 3.81Å; F585-V597 HydrophobicContact CZ-CG1 3.9Å; L594-V597 HydrophobicContact CD1-CG2 4.13Å; L594-V597 HydrophobicContact CD2-CG2 3.41Å; L594-V597 VanDerWaalsContact CD2-CG2 3.41Å; L594-V597 HydrophobicContact CG-CG2 3.93Å; V597-Y605 HydrophobicContact CG1-CD1 4.13Å; V597-E606 CarbonylContact C-O 3.58Å; V597-E606 WeakPolarHBondContact CA-O 3.32Å; V597-L607 HydrophobicContact CG1-CG 4.33Å; V597-L607 HydrophobicContact CG2-CG 4.27Å
598	R	91.2	Very high	91.2	Very high	18 Å²	18	16.4 Å²	16.4	7%	0.068	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	123.5	174.7	-48.6	-165.3	-61.2	163.8	2.7	109.8	I539 R540 V541 Q596 I600 E606 S682 N683	I539-R598 HydrophobicContact CG2-CB 3.95Å; R540-R598 CarbonylContact O-C 3.55Å; R540-R598 WeakPolarHBondContact O-CA 3.4Å; V541-R598 HydrophobicContact CG2-CG 4.12Å; Q596-R598 HydrophobicContact CG-CG 4.36Å; R598-I600 HydrophobicContact CB-CG2 4.5Å; R598-I600 PolarHBondContact O-N 3.26Å; R598-E606 HydrophobicContact CB-CB 4.47Å; R598-E606 IonicContact CZ-OE1 2.62Å; R598-E606 IonicContact CZ-OE2 3.47Å; R598-E606 PolarHBondContact N-O 3.43Å; R598-E606 IonicContact NE-OE1 3.78Å; R598-E606 PolarHBondContact NE-OE1 3.18Å; R598-E606 IonicContact NH2-OE1 2.9Å; R598-E606 PolarHBondContact NH2-OE1 3.3Å; R598-E606 IonicContact NH2-OE2 2.67Å; R598-E606 PolarHBondContact NH2-OE2 3.02Å; R598-E606 PolarHBondContact O-N 2.78Å; R598-S682 VanDerWaalsContact CZ-O 3.23Å; R598-S682 PolarHBondContact NH1-O 3.43Å; R598-S682 PolarHBondContact NH2-O 2.81Å; R598-S682 PolarHBondContact NH2-OG 2.84Å; R598-N683 PolarHBondContact NE-ND2 2.9Å
599	R	91.3	Very high	91.8	Very high	14 Å²	14	15.3 Å²	15.3	5%	0.053	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	124.4	168.7	-166.8	170.4	172.1	-171	-1.5	107.6	F536 I539 R540 I542 P580 G601 P602 Y605	F536-R599 HydrophobicContact CD2-CG 4.28Å; F536-R599 HydrophobicContact CE2-CB 4.09Å; F536-R599 HydrophobicContact CE2-CG 3.58Å; F536-R599 HydrophobicContact CZ-CB 3.97Å; F536-R599 HydrophobicContact CZ-CG 3.8Å; F536-R599 VanDerWaalsContact CZ-O 3.27Å; F536-R599 WeakPolarHBondContact CZ-O 3.37Å; I539-R599 WeakPolarHBondContact CA-O 3.17Å; R540-R599 PolarHBondContact N-O 3.44Å; R540-R599 VanDerWaalsContact N-O 3.08Å; R540-R599 PolarHBondContact O-N 3.3Å; I542-R599 HydrophobicContact CD1-CB 4.37Å; I542-R599 HydrophobicContact CG2-CB 4.06Å; P580-R599 VanDerWaalsContact O-CZ 3.25Å; P580-R599 PolarHBondContact O-NH1 2.77Å; P580-R599 PolarHBondContact O-NH2 3Å; R599-G601 VanDerWaalsContact CG-O 3.28Å; R599-G601 WeakPolarHBondContact CG-O 3.29Å; R599-G601 PolarHBondContact NE-O 2.98Å; R599-P602 VanDerWaalsContact CZ-O 3.3Å; R599-P602 PolarHBondContact NE-O 3.16Å; R599-P602 PolarHBondContact NH2-O 3.35Å; R599-Y605 HydrophobicContact CB-CD1 4.23Å; R599-Y605 HydrophobicContact CB-CE1 4.08Å; R599-Y605 HydrophobicContact CG-CD1 4.27Å; R599-Y605 HydrophobicContact CG-CE1 3.86Å
600	I	90.9	Very high	92.3	Very high	63 Å²	63	17.5 Å²	17.5	32%	0.323	9%	0.088	S	C	.	.			trans	-116	-15.7	-176	59.4	165.8	0	0	0	112.9	F536 I539 R598 H604 E606	F536-I600 VanDerWaalsContact CE1-C 3.41Å; I539-I600 HydrophobicContact CD1-CG2 4.29Å; I539-I600 HydrophobicContact CG1-CG2 4.13Å; I539-I600 HydrophobicContact CG2-CG2 4.06Å; R598-I600 HydrophobicContact CB-CG2 4.5Å; R598-I600 PolarHBondContact O-N 3.26Å; I600-H604 HydrophobicContact CD1-CB 4.32Å; I600-H604 HydrophobicContact CG1-CB 3.78Å; I600-H604 WeakPolarHBondContact CG1-O 3.47Å; I600-H604 PolarHBondContact N-O 2.84Å; I600-E606 HydrophobicContact CD1-CB 4.31Å; I600-E606 HydrophobicContact CG2-CB 3.93Å
601	G	90.4	Very high	92.7	Very high	8 Å²	8	19.5 Å²	19.5	8%	0.082	10%	0.101	C	C	.	.	S	Bend	trans	-151.9	-176	173.9	0	0	0	0	0	111.4	F536 R599 F603 H604	F536-G601 VanDerWaalsContact CD1-CA 3.46Å; R599-G601 VanDerWaalsContact CG-O 3.28Å; R599-G601 WeakPolarHBondContact CG-O 3.29Å; R599-G601 PolarHBondContact NE-O 2.98Å; G601-F603 VanDerWaalsContact C-N 3.35Å; G601-F603 PolarHBondContact O-N 3.01Å; G601-H604 PolarHBondContact N-O 3.26Å; G601-H604 PolarHBondContact O-N 3.24Å
602	P	89.2	Confident	92.8	Very high	31 Å²	31	19.4 Å²	19.4	20%	0.201	10%	0.1	C	C	.	.	S	Bend	trans	-58.1	-45.7	-177	-21.1	30.6	0	0	0	112.3	P534 F536 P580 R599	P534-P602 HydrophobicContact CB-CB 3.89Å; P534-P602 HydrophobicContact CB-CG 4.42Å; P534-P602 HydrophobicContact CG-CB 4.23Å; P534-P602 HydrophobicContact CG-CG 4.47Å; P534-P602 VanDerWaalsContact O-CG 3.22Å; P534-P602 WeakPolarHBondContact O-CG 3.5Å; F536-P602 HydrophobicContact CB-CB 4.34Å; F536-P602 HydrophobicContact CB-CG 3.78Å; P580-P602 HydrophobicContact CG-CB 4.11Å; R599-P602 VanDerWaalsContact CZ-O 3.3Å; R599-P602 PolarHBondContact NE-O 3.16Å; R599-P602 PolarHBondContact NH2-O 3.35Å
603	F	93.1	Very high	92.3	Very high	17 Å²	17	20.9 Å²	20.9	8%	0.075	11%	0.106	C	C	.	.	S	Bend	trans	-120.4	18.2	174.5	-60.9	-84	0	0	0	112.9	P534 W578 P580 G601 F633 I634 Y635 T636	P534-F603 HydrophobicContact CB-CE2 3.97Å; P534-F603 HydrophobicContact CG-CE2 4.12Å; W578-F603 AromaticContact CH2-CZ 3.88Å; W578-F603 HydrophobicContact CH2-CZ 3.88Å; W578-F603 HydrophobicContact CZ2-CZ 4.13Å; P580-F603 HydrophobicContact CB-CD1 4.46Å; P580-F603 HydrophobicContact CB-CE1 3.73Å; P580-F603 HydrophobicContact CB-CE2 4.16Å; P580-F603 HydrophobicContact CB-CZ 3.55Å; P580-F603 HydrophobicContact CG-CD2 4.4Å; P580-F603 HydrophobicContact CG-CE1 4.14Å; P580-F603 HydrophobicContact CG-CE2 3.63Å; P580-F603 HydrophobicContact CG-CZ 3.48Å; P580-F603 VanDerWaalsContact CG-CZ 3.48Å; G601-F603 VanDerWaalsContact C-N 3.35Å; G601-F603 PolarHBondContact O-N 3.01Å; F603-F633 HydrophobicContact CD1-CB 4.03Å; F603-F633 HydrophobicContact CD2-CD1 4.48Å; F603-F633 HydrophobicContact CE1-CB 3.63Å; F603-F633 AromaticContact CE1-CD1 3.91Å; F603-F633 HydrophobicContact CE1-CD1 3.91Å; F603-F633 HydrophobicContact CE1-CD2 4.46Å; F603-F633 AromaticContact CE1-CG 3.75Å; F603-F633 HydrophobicContact CE1-CG 3.75Å; F603-F633 AromaticContact CE2-CD1 3.62Å; F603-F633 HydrophobicContact CE2-CD1 3.62Å; F603-F633 HydrophobicContact CE2-CE1 4.13Å; F603-F633 HydrophobicContact CE2-CG 4.31Å; F603-F633 HydrophobicContact CZ-CB 3.94Å; F603-F633 AromaticContact CZ-CD1 3.27Å; F603-F633 HydrophobicContact CZ-CD1 3.27Å; F603-F633 HydrophobicContact CZ-CD2 4.34Å; F603-F633 AromaticContact CZ-CE1 3.8Å; F603-F633 HydrophobicContact CZ-CE1 3.8Å; F603-F633 AromaticContact CZ-CG 3.59Å; F603-F633 HydrophobicContact CZ-CG 3.59Å; F603-I634 WeakPolarHBondContact CB-O 3.4Å; F603-Y635 HydrophobicContact CB-CD1 4.34Å; F603-Y635 HydrophobicContact CD1-CD1 4.1Å; F603-Y635 AromaticContact CD1-CE1 3.73Å; F603-Y635 HydrophobicContact CD1-CE1 3.73Å; F603-Y635 HydrophobicContact CD1-CE2 4.35Å; F603-Y635 AromaticContact CD1-CZ 3.89Å; F603-Y635 HydrophobicContact CE1-CE1 4.44Å; F603-Y635 WeakPolarHBondContact O-CA 3.42Å; F603-T636 PolarHBondContact O-N 3.2Å
604	H	94.3	Very high	91.7	Very high	85 Å²	85	27.8 Å²	27.8	39%	0.394	13%	0.132	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	128.8	-174.7	-66.6	27.8	0	0	0	111.5	I600 G601 T636	I600-H604 HydrophobicContact CD1-CB 4.32Å; I600-H604 HydrophobicContact CG1-CB 3.78Å; I600-H604 WeakPolarHBondContact CG1-O 3.47Å; I600-H604 PolarHBondContact N-O 2.84Å; G601-H604 PolarHBondContact N-O 3.26Å; G601-H604 PolarHBondContact O-N 3.24Å; H604-T636 WeakPolarHBondContact CA-O 3.45Å; H604-T636 PolarHBondContact CE1-OG1 3.31Å; H604-T636 VanDerWaalsContact CE1-OG1 3.24Å; H604-T636 PolarHBondContact ND1-OG1 2.86Å
605	Y	95.8	Very high	91.1	Very high	1 Å²	1	29.1 Å²	29.1	0%	0.004	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	126.8	-172.2	-64.7	-94.7	0	0	0	110.7	I542 L583 F585 V597 R599 L607 Y635 T636 F637 L638	I542-Y605 HydrophobicContact CD1-CD1 3.59Å; I542-Y605 HydrophobicContact CD1-CE1 3.48Å; I542-Y605 VanDerWaalsContact CD1-CE1 3.48Å; L583-Y605 HydrophobicContact CB-CE1 4.07Å; L583-Y605 HydrophobicContact CD1-CD2 4.32Å; L583-Y605 HydrophobicContact CD1-CE2 3.97Å; L583-Y605 HydrophobicContact CG-CE1 4.48Å; L583-Y605 HydrophobicContact CG-CE2 4.2Å; L583-Y605 PolarHBondContact N-OH 2.87Å; L583-Y605 VanDerWaalsContact N-OH 3.16Å; F585-Y605 AromaticContact CE2-CD1 3.71Å; F585-Y605 HydrophobicContact CE2-CD1 3.71Å; F585-Y605 AromaticContact CE2-CE1 3.91Å; F585-Y605 HydrophobicContact CE2-CE1 3.91Å; F585-Y605 HydrophobicContact CE2-CG 4.47Å; F585-Y605 AromaticContact CZ-CD1 3.84Å; F585-Y605 HydrophobicContact CZ-CD1 3.84Å; F585-Y605 HydrophobicContact CZ-CE1 4.35Å; F585-Y605 HydrophobicContact CZ-CG 4.15Å; V597-Y605 HydrophobicContact CG1-CD1 4.13Å; R599-Y605 HydrophobicContact CB-CD1 4.23Å; R599-Y605 HydrophobicContact CB-CE1 4.08Å; R599-Y605 HydrophobicContact CG-CD1 4.27Å; R599-Y605 HydrophobicContact CG-CE1 3.86Å; Y605-L607 VanDerWaalsContact O-CD1 3.3Å; Y605-L607 WeakPolarHBondContact O-CD1 3.26Å; Y605-Y635 HydrophobicContact CD2-CD1 4.36Å; Y605-Y635 AromaticContact CE2-CD1 3.77Å; Y605-Y635 HydrophobicContact CE2-CD1 3.77Å; Y605-Y635 HydrophobicContact CE2-CE1 4.15Å; Y605-T636 PolarHBondContact N-O 3.19Å; Y605-F637 WeakPolarHBondContact O-CA 3.3Å; Y605-L638 PolarHBondContact O-N 3.01Å
606	E	94.7	Very high	90.5	Very high	7 Å²	7	34.9 Å²	34.9	3%	0.033	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	131.9	172.8	-169.2	-151.5	73.4	0	0	109.9	V597 R598 I600 L638 I640 S682 N683	V597-E606 CarbonylContact C-O 3.58Å; V597-E606 WeakPolarHBondContact CA-O 3.32Å; R598-E606 HydrophobicContact CB-CB 4.47Å; R598-E606 IonicContact CZ-OE1 2.62Å; R598-E606 IonicContact CZ-OE2 3.47Å; R598-E606 PolarHBondContact N-O 3.43Å; R598-E606 IonicContact NE-OE1 3.78Å; R598-E606 PolarHBondContact NE-OE1 3.18Å; R598-E606 IonicContact NH2-OE1 2.9Å; R598-E606 PolarHBondContact NH2-OE1 3.3Å; R598-E606 IonicContact NH2-OE2 2.67Å; R598-E606 PolarHBondContact NH2-OE2 3.02Å; R598-E606 PolarHBondContact O-N 2.78Å; I600-E606 HydrophobicContact CD1-CB 4.31Å; I600-E606 HydrophobicContact CG2-CB 3.93Å; E606-L638 CarbonylContact C-O 3.58Å; E606-L638 WeakPolarHBondContact CA-O 3.15Å; E606-I640 HydrophobicContact CG-CD1 4.17Å; E606-I640 HydrophobicContact CG-CG1 4.27Å; E606-I640 HydrophobicContact CG-CG2 3.51Å; E606-S682 VanDerWaalsContact OE2-CB 3.29Å; E606-S682 WeakPolarHBondContact OE2-CB 3.39Å; E606-S682 PolarHBondContact OE2-OG 3.33Å; E606-N683 PolarHBondContact OE1-ND2 3.27Å
607	L	96.3	Very high	89.7	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	131.7	-170.5	-71.1	83.4	0	0	0	110	L594 V597 Y605 F624 F637 L638 I639 I640	L594-L607 HydrophobicContact CD1-CB 4.01Å; L594-L607 HydrophobicContact CD1-CD2 3.94Å; L594-L607 HydrophobicContact CD1-CG 4.22Å; V597-L607 HydrophobicContact CG1-CG 4.33Å; V597-L607 HydrophobicContact CG2-CG 4.27Å; Y605-L607 VanDerWaalsContact O-CD1 3.3Å; Y605-L607 WeakPolarHBondContact O-CD1 3.26Å; L607-F624 HydrophobicContact CD2-CE1 3.91Å; L607-F624 HydrophobicContact CD2-CE2 3.81Å; L607-F624 HydrophobicContact CD2-CZ 3.32Å; L607-F637 HydrophobicContact CD1-CB 4.12Å; L607-F637 HydrophobicContact CD1-CD1 3.91Å; L607-L638 PolarHBondContact N-O 3.03Å; L607-I639 HydrophobicContact CB-CB 4.49Å; L607-I639 HydrophobicContact CB-CG1 3.75Å; L607-I639 HydrophobicContact CD2-CG1 4.29Å; L607-I639 WeakPolarHBondContact O-CA 3.3Å; L607-I640 PolarHBondContact O-N 2.9Å
608	L	94	Very high	89.4	Confident	5 Å²	5	42.9 Å²	42.9	3%	0.026	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	121.9	174.4	-174.1	76.1	0	0	0	108.3	R595 Q596 I640 N641 L685 L686	R595-L608 WeakPolarHBondContact CA-O 3.28Å; R595-L608 HydrophobicContact CB-CD2 4.42Å; R595-L608 HydrophobicContact CB-CG 4.42Å; R595-L608 WeakPolarHBondContact CB-O 3.45Å; R595-L608 HydrophobicContact CG-CD2 3.94Å; R595-L608 HydrophobicContact CG-CG 4.45Å; R595-L608 PolarHBondContact N-O 2.8Å; Q596-L608 HydrophobicContact CB-CB 4.08Å; Q596-L608 HydrophobicContact CB-CD2 4.25Å; Q596-L608 PolarHBondContact N-O 3.47Å; Q596-L608 VanDerWaalsContact N-O 3.08Å; Q596-L608 PolarHBondContact O-N 3.14Å; L608-I640 HydrophobicContact CD1-CD1 4.22Å; L608-I640 HydrophobicContact CD1-CG1 4.21Å; L608-N641 HydrophobicContact CD1-CB 3.84Å; L608-N641 WeakPolarHBondContact CD1-ND2 3.34Å; L608-L685 HydrophobicContact CD2-CB 3.62Å; L608-L685 HydrophobicContact CD2-CD1 3.5Å; L608-L685 HydrophobicContact CD2-CG 4.19Å; L608-L686 HydrophobicContact CD1-CD2 3.61Å; L608-L686 HydrophobicContact CD1-CG 4.19Å
609	L	95	Very high	89.4	Confident	1 Å²	1	42.3 Å²	42.3	1%	0.005	20%	0.196	C	C	.	.	P	Polyproline II helix	trans	-86	158.1	175.5	-58.8	-176.6	0	0	0	111.9	L594 V619 Y622 I639 N641 F642	L594-L609 HydrophobicContact CD1-CD2 3.95Å; L609-V619 HydrophobicContact CB-CG1 3.59Å; L609-V619 HydrophobicContact CD1-CG1 4.1Å; L609-V619 HydrophobicContact CG-CG1 4.42Å; L609-Y622 HydrophobicContact CD1-CD1 4.2Å; L609-Y622 HydrophobicContact CD1-CG 4.49Å; L609-Y622 VanDerWaalsContact CD2-CB 3.48Å; L609-Y622 HydrophobicContact CD2-CG 4.49Å; L609-I639 HydrophobicContact CD1-CD1 4.46Å; L609-I639 HydrophobicContact CD1-CG2 3.82Å; L609-I639 HydrophobicContact CD2-CD1 4.45Å; L609-I639 HydrophobicContact CG-CG2 3.77Å; L609-N641 PolarHBondContact N-OD1 3.46Å; L609-N641 PolarHBondContact O-ND2 2.88Å; L609-F642 HydrophobicContact CD1-CD1 4.06Å; L609-F642 HydrophobicContact CD1-CE1 3.36Å; L609-F642 HydrophobicContact CD1-CZ 3.81Å
610	K	91.2	Very high	89.3	Confident	61 Å²	61	41.7 Å²	41.7	27%	0.265	19%	0.194	S	C	.	.	P	Polyproline II helix	trans	-86.4	126.7	176.2	-161.1	174.6	-172.3	169.6	0	109.6	N593 R595	N593-K610 PolarHBondContact ND2-O 2.79Å; N593-K610 VanDerWaalsContact OD1-CB 3.29Å; N593-K610 WeakPolarHBondContact OD1-CB 3.35Å; N593-K610 PolarHBondContact OD1-N 3.44Å; N593-K610 PolarHBondContact OD1-O 2.66Å; R595-K610 HydrophobicContact CB-CB 4.01Å
611	P	90.6	Very high	89.5	Confident	48 Å²	48	38.9 Å²	38.9	31%	0.312	18%	0.179	S	C	.	.	P	Polyproline II helix	trans	-67.7	151.5	170.7	29.4	-34.3	0	0	0	110.8	L613 H618 V619	P611-L613 PolarHBondContact O-N 3.4Å; P611-H618 WeakPolarHBondContact CA-O 3.49Å; P611-V619 HydrophobicContact CB-CG2 3.86Å
612	D	90.1	Very high	89.8	Confident	1 Å²	1	38.5 Å²	38.5	1%	0.005	18%	0.175	C	C	.	.	S	Bend	trans	-46.3	134.2	173.7	-79.5	19.1	0	0	0	111.4	Y614 T615 H618 N817 Y818 R819 C820	D612-Y614 PolarHBondContact O-N 2.65Å; D612-T615 HydrophobicContact CB-CG2 3.86Å; D612-T615 WeakPolarHBondContact CB-OG1 3.04Å; D612-T615 WeakPolarHBondContact O-CA 3.38Å; D612-T615 WeakPolarHBondContact O-CB 3.46Å; D612-T615 WeakPolarHBondContact O-CG2 3.46Å; D612-T615 PolarHBondContact O-N 2.98Å; D612-T615 PolarHBondContact O-OG1 2.83Å; D612-H618 HydrophobicContact CB-CB 4.08Å; D612-H618 PolarHBondContact N-O 2.72Å; D612-N817 WeakPolarHBondContact CA-OD1 3.32Å; D612-N817 HydrophobicContact CB-CB 4.5Å; D612-Y818 PolarHBondContact OD1-N 3.13Å; D612-R819 WeakPolarHBondContact OD2-CA 3.33Å; D612-R819 WeakPolarHBondContact OD2-CB 3.36Å; D612-R819 PolarHBondContact OD2-N 3.15Å; D612-C820 HydrophobicContact CB-CB 4.21Å; D612-C820 WeakPolarHBondContact OD2-CB 3.32Å; D612-C820 PolarHBondContact OD2-N 3.29Å
613	L	81.4	Confident	90.1	Very high	42 Å²	42	37 Å²	37	22%	0.22	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.6	129.2	-173.6	-64.5	-177.2	0	0	0	112.2	P611 T615 V815 N817 L822 G824	P611-L613 PolarHBondContact O-N 3.4Å; L613-T615 PolarHBondContact O-N 3.02Å; L613-V815 HydrophobicContact CD1-CB 3.99Å; L613-V815 HydrophobicContact CD1-CG1 4.14Å; L613-V815 HydrophobicContact CD1-CG2 3.8Å; L613-V815 HydrophobicContact CG-CG2 4.32Å; L613-N817 PolarHBondContact N-OD1 2.98Å; L613-L822 HydrophobicContact CD1-CD2 3.94Å; L613-G824 WeakPolarHBondContact O-CA 3.28Å
614	Y	82.3	Confident	90.2	Very high	153 Å²	153	36.2 Å²	36.2	60%	0.6	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	66.3	17.4	-176.9	-50.5	-82.7	0	0	0	115.4	R114 D612 L822	R114-Y614 PolarHBondContact NE-OH 3.49Å; R114-Y614 VanDerWaalsContact NH2-CE2 3.28Å; D612-Y614 PolarHBondContact O-N 2.65Å; Y614-L822 VanDerWaalsContact CD2-O 3.23Å; Y614-L822 WeakPolarHBondContact CD2-O 3.29Å
615	T	82.1	Confident	90.3	Very high	29 Å²	29	34.2 Å²	34.2	18%	0.178	15%	0.151	C	C	.	.			trans	-116.6	173.3	170.9	89.5	0	0	0	0	112.1	D612 L613 R617 C820	D612-T615 HydrophobicContact CB-CG2 3.86Å; D612-T615 WeakPolarHBondContact CB-OG1 3.04Å; D612-T615 WeakPolarHBondContact O-CA 3.38Å; D612-T615 WeakPolarHBondContact O-CB 3.46Å; D612-T615 WeakPolarHBondContact O-CG2 3.46Å; D612-T615 PolarHBondContact O-N 2.98Å; D612-T615 PolarHBondContact O-OG1 2.83Å; L613-T615 PolarHBondContact O-N 3.02Å; T615-R617 PolarHBondContact OG1-N 3.45Å; T615-C820 HydrophobicContact CG2-CB 4.41Å
616	K	78.6	Confident	90.2	Very high	145 Å²	145	34.1 Å²	34.1	63%	0.63	15%	0.151	S	C	*	.	S	Bend	trans	-123.3	6	166.4	-87.1	-165.3	164.5	-167.5	0	112.3	D687	K616-D687 IonicContact NZ-OD2 3.19Å; K616-D687 PolarHBondContact NZ-OD2 2.98Å
617	R	78.1	Confident	90	Very high	137 Å²	137	36.2 Å²	36.2	52%	0.517	16%	0.16	S	C	.	.	S	Bend	trans	-121.3	-20.1	-155.2	-77.7	-172.7	169.8	-143.3	-7.2	115.9	T615 T643 S1147 N1148	T615-R617 PolarHBondContact OG1-N 3.45Å; R617-T643 WeakPolarHBondContact O-CB 3.45Å; R617-T643 PolarHBondContact O-OG1 3.07Å; R617-T643 VanDerWaalsContact O-OG1 3.08Å; R617-S1147 PolarHBondContact NH1-OG 3.26Å; R617-N1148 PolarHBondContact O-ND2 3.17Å; R617-N1148 PolarHBondContact O-OD1 3.01Å
618	H	86.9	Confident	89.5	Confident	35 Å²	35	37.8 Å²	37.8	16%	0.162	17%	0.169	C	C	.	.			trans	-116.3	101.8	-175.9	-51.1	-53.8	0	0	0	107.7	P611 D612 R819 C820 N1148	P611-H618 WeakPolarHBondContact CA-O 3.49Å; D612-H618 HydrophobicContact CB-CB 4.08Å; D612-H618 PolarHBondContact N-O 2.72Å; H618-R819 HydrophobicContact CB-CB 4.07Å; H618-C820 PolarHBondContact CD2-SG 2.79Å; H618-N1148 PolarHBondContact CE1-OD1 3.13Å; H618-N1148 VanDerWaalsContact CE1-OD1 3.27Å; H618-N1148 PolarHBondContact ND1-OD1 2.85Å
619	V	90.7	Very high	89.2	Confident	5 Å²	5	38 Å²	38	3%	0.03	17%	0.17	C	C	.	.			trans	-131.9	108.1	173.8	-169.8	0	0	0	0	106.4	L609 P611 N641 T643	L609-V619 HydrophobicContact CB-CG1 3.59Å; L609-V619 HydrophobicContact CD1-CG1 4.1Å; L609-V619 HydrophobicContact CG-CG1 4.42Å; P611-V619 HydrophobicContact CB-CG2 3.86Å; V619-N641 WeakPolarHBondContact CB-O 3.3Å; V619-N641 WeakPolarHBondContact CG1-O 3.47Å; V619-T643 HydrophobicContact CB-CG2 3.96Å; V619-T643 HydrophobicContact CG2-CG2 3.84Å; V619-T643 PolarHBondContact N-OG1 2.85Å; V619-T643 VanDerWaalsContact N-OG1 3.08Å; V619-T643 PolarHBondContact O-N 3.45Å; V619-T643 PolarHBondContact O-OG1 3.21Å
620	Q	90.6	Very high	88.9	Confident	2 Å²	2	38.3 Å²	38.3	1%	0.009	17%	0.172	C	C	.	.			trans	-160.1	-39.3	178.8	-165.3	64.6	61.4	0	0	113.1	F642 K644 Y712 Y818	Q620-F642 WeakPolarHBondContact O-CE1 3.34Å; Q620-K644 HydrophobicContact CG-CD 4.4Å; Q620-K644 VanDerWaalsContact OE1-CD 3.3Å; Q620-Y712 HydrophobicContact CG-CE1 4.16Å; Q620-Y712 HydrophobicContact CG-CE2 3.96Å; Q620-Y818 HydrophobicContact CB-CD1 3.83Å; Q620-Y818 HydrophobicContact CB-CD2 3.8Å; Q620-Y818 HydrophobicContact CB-CE1 4.02Å; Q620-Y818 HydrophobicContact CB-CE2 4.02Å; Q620-Y818 HydrophobicContact CB-CG 3.74Å; Q620-Y818 HydrophobicContact CG-CD2 4.3Å; Q620-Y818 HydrophobicContact CG-CE1 4.45Å; Q620-Y818 HydrophobicContact CG-CE2 4.06Å
621	W	94.2	Very high	88.6	Confident	4 Å²	4	35.6 Å²	35.6	2%	0.015	16%	0.16	C	C	.	.			trans	-69.6	133	173.9	-177	-107.3	0	0	0	110.5	S591 F623 Y712 P715 T773 Y818	S591-W621 PolarHBondContact O-NE1 3.01Å; W621-F623 HydrophobicContact CZ2-CB 3.79Å; W621-F623 HydrophobicContact CZ2-CD1 4.32Å; W621-F623 HydrophobicContact CZ2-CG 4.3Å; W621-Y712 HydrophobicContact CE3-CD1 4.08Å; W621-Y712 HydrophobicContact CZ3-CD1 4.4Å; W621-P715 HydrophobicContact CH2-CB 4.43Å; W621-P715 HydrophobicContact CH2-CG 4.44Å; W621-T773 HydrophobicContact CH2-CG2 3.62Å; W621-T773 HydrophobicContact CZ2-CG2 4.46Å; W621-T773 HydrophobicContact CZ3-CG2 3.73Å; W621-Y818 HydrophobicContact CB-CD2 4.05Å; W621-Y818 HydrophobicContact CB-CG 4.43Å
622	Y	95.8	Very high	88.3	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	15%	0.149	C	C	.	.			trans	-138.6	143.2	165	63.5	-95.2	0	0	0	109.5	N593 L609 F624 I639 F642 P650 A711 Y712	N593-Y622 WeakPolarHBondContact O-CA 3.33Å; L609-Y622 HydrophobicContact CD1-CD1 4.2Å; L609-Y622 HydrophobicContact CD1-CG 4.49Å; L609-Y622 VanDerWaalsContact CD2-CB 3.48Å; L609-Y622 HydrophobicContact CD2-CG 4.49Å; Y622-F624 HydrophobicContact CD2-CD1 4.21Å; Y622-F624 AromaticContact CD2-CE1 3.63Å; Y622-F624 HydrophobicContact CD2-CE1 3.63Å; Y622-F624 HydrophobicContact CE2-CE1 4.41Å; Y622-F624 HydrophobicContact CG-CE1 4.24Å; Y622-I639 HydrophobicContact CD1-CD1 3.87Å; Y622-I639 HydrophobicContact CD2-CD1 4.49Å; Y622-I639 HydrophobicContact CE1-CD1 3.98Å; Y622-I639 HydrophobicContact CG-CD1 4.14Å; Y622-F642 HydrophobicContact CD1-CE1 4.17Å; Y622-F642 AromaticContact CD1-CZ 3.78Å; Y622-F642 HydrophobicContact CD1-CZ 3.78Å; Y622-F642 AromaticContact CE1-CZ 3.83Å; Y622-F642 HydrophobicContact CE1-CZ 3.83Å; Y622-P650 WeakPolarHBondContact OH-CA 3.21Å; Y622-P650 WeakPolarHBondContact OH-CB 3.34Å; Y622-A711 WeakPolarHBondContact CE2-O 3.47Å; Y622-A711 WeakPolarHBondContact O-CA 3.35Å; Y622-Y712 HydrophobicContact CD1-CD2 4.26Å; Y622-Y712 HydrophobicContact CD1-CG 4.45Å; Y622-Y712 AromaticContact CE1-CD2 3.79Å; Y622-Y712 HydrophobicContact CE1-CD2 3.79Å; Y622-Y712 HydrophobicContact CE1-CG 4.27Å; Y622-Y712 PolarHBondContact O-N 2.79Å
623	F	96.2	Very high	88.3	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.8	118	173.7	-180	-153.1	0	0	0	107.4	T497 F589 G592 N593 W621 W665 Y709 L710 A711 P715	T497-F623 HydrophobicContact CG2-CE1 4.37Å; T497-F623 HydrophobicContact CG2-CZ 4.31Å; F589-F623 HydrophobicContact CD2-CE1 4.24Å; F589-F623 AromaticContact CE2-CD1 3.77Å; F589-F623 HydrophobicContact CE2-CD1 3.77Å; F589-F623 HydrophobicContact CE2-CD2 4.29Å; F589-F623 AromaticContact CE2-CE1 3.67Å; F589-F623 HydrophobicContact CE2-CE1 3.67Å; F589-F623 HydrophobicContact CE2-CE2 4.19Å; F589-F623 HydrophobicContact CE2-CG 4.08Å; F589-F623 AromaticContact CE2-CZ 3.89Å; F589-F623 HydrophobicContact CE2-CZ 3.89Å; G592-F623 CarbonylContact C-O 3.5Å; G592-F623 WeakPolarHBondContact CA-O 3.48Å; N593-F623 PolarHBondContact N-O 3.26Å; N593-F623 PolarHBondContact O-N 3.45Å; W621-F623 HydrophobicContact CZ2-CB 3.79Å; W621-F623 HydrophobicContact CZ2-CD1 4.32Å; W621-F623 HydrophobicContact CZ2-CG 4.3Å; F623-W665 AromaticContact CE2-CH2 3.97Å; F623-W665 HydrophobicContact CE2-CH2 3.97Å; F623-W665 HydrophobicContact CE2-CZ2 4.45Å; F623-Y709 HydrophobicContact CD2-CD1 4.46Å; F623-Y709 AromaticContact CE2-CD1 3.66Å; F623-Y709 HydrophobicContact CE2-CD1 3.66Å; F623-Y709 HydrophobicContact CE2-CG 4.25Å; F623-Y709 HydrophobicContact CZ-CD1 4.16Å; F623-L710 VanDerWaalsContact CA-O 3.32Å; F623-L710 WeakPolarHBondContact CA-O 3.42Å; F623-A711 HydrophobicContact CD2-CB 3.98Å; F623-P715 HydrophobicContact CD1-CB 4.19Å; F623-P715 HydrophobicContact CD1-CG 4.29Å; F623-P715 HydrophobicContact CD2-CG 3.99Å; F623-P715 HydrophobicContact CE1-CB 3.86Å; F623-P715 HydrophobicContact CE1-CG 4.12Å; F623-P715 HydrophobicContact CE2-CB 4.41Å; F623-P715 HydrophobicContact CE2-CG 3.8Å; F623-P715 HydrophobicContact CG-CG 4.25Å; F623-P715 HydrophobicContact CZ-CB 3.98Å; F623-P715 HydrophobicContact CZ-CG 3.87Å
624	F	95.9	Very high	88.9	Confident	0 Å²	0	36 Å²	36	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	152.8	-175.8	55	-92.7	0	0	0	111.8	F585 E586 L594 L607 Y622 I626 Y709 L710	F585-F624 AromaticContact CD1-CD2 3.99Å; F585-F624 HydrophobicContact CD1-CD2 3.99Å; F585-F624 HydrophobicContact CD1-CE2 4.11Å; F585-F624 HydrophobicContact CE1-CD2 4.44Å; F585-F624 HydrophobicContact CE1-CE2 4.1Å; E586-F624 CarbonylContact O-C 3.37Å; E586-F624 VanDerWaalsContact O-CA 3.29Å; E586-F624 WeakPolarHBondContact O-CA 3.29Å; E586-F624 VanDerWaalsContact O-CB 3.32Å; E586-F624 WeakPolarHBondContact O-CB 3.44Å; L594-F624 HydrophobicContact CB-CB 4.03Å; L594-F624 HydrophobicContact CB-CD1 4.19Å; L594-F624 HydrophobicContact CB-CG 4.3Å; L594-F624 HydrophobicContact CD1-CD1 4.38Å; L594-F624 HydrophobicContact CD1-CE1 4.5Å; L594-F624 HydrophobicContact CD2-CB 3.79Å; L594-F624 HydrophobicContact CD2-CD1 4.05Å; L594-F624 HydrophobicContact CD2-CD2 3.91Å; L594-F624 HydrophobicContact CD2-CE2 4.47Å; L594-F624 HydrophobicContact CD2-CG 3.67Å; L594-F624 HydrophobicContact CG-CD1 4.46Å; L607-F624 HydrophobicContact CD2-CE1 3.91Å; L607-F624 HydrophobicContact CD2-CE2 3.81Å; L607-F624 HydrophobicContact CD2-CZ 3.32Å; Y622-F624 HydrophobicContact CD2-CD1 4.21Å; Y622-F624 AromaticContact CD2-CE1 3.63Å; Y622-F624 HydrophobicContact CD2-CE1 3.63Å; Y622-F624 HydrophobicContact CE2-CE1 4.41Å; Y622-F624 HydrophobicContact CG-CE1 4.24Å; F624-I626 HydrophobicContact CD2-CG1 4.24Å; F624-I626 HydrophobicContact CE2-CD1 4.07Å; F624-I626 HydrophobicContact CE2-CG1 4.25Å; F624-Y709 CarbonylContact O-C 3.59Å; F624-Y709 VanDerWaalsContact O-CA 3.3Å; F624-Y709 WeakPolarHBondContact O-CA 3.47Å; F624-L710 HydrophobicContact CD2-CB 4.36Å; F624-L710 HydrophobicContact CE1-CB 4.35Å; F624-L710 HydrophobicContact CE2-CB 3.85Å; F624-L710 HydrophobicContact CE2-CD1 3.93Å; F624-L710 HydrophobicContact CE2-CG 4.36Å; F624-L710 HydrophobicContact CZ-CB 3.82Å; F624-L710 HydrophobicContact CZ-CD1 4.09Å; F624-L710 PolarHBondContact N-O 3.31Å; F624-L710 PolarHBondContact O-N 3.38Å
625	R	95	Very high	89.6	Confident	42 Å²	42	28.7 Å²	28.7	16%	0.158	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	148.4	177.9	-165.3	177.6	83.1	-157.2	3.6	110.5	F585 E586 F589 I707 C708 Y709	F585-R625 WeakPolarHBondContact CA-O 3.41Å; E586-R625 HydrophobicContact CB-CB 4.21Å; E586-R625 PolarHBondContact N-O 3.29Å; E586-R625 VanDerWaalsContact N-O 3.1Å; E586-R625 PolarHBondContact O-N 2.93Å; F589-R625 HydrophobicContact CE1-CB 3.94Å; F589-R625 HydrophobicContact CZ-CB 4.37Å; R625-I707 HydrophobicContact CG-CG2 3.73Å; R625-C708 CarbonylContact C-O 3.59Å; R625-C708 VanDerWaalsContact CA-O 3.31Å; R625-C708 WeakPolarHBondContact CA-O 3.49Å; R625-C708 WeakPolarHBondContact CG-O 3.45Å; R625-Y709 HydrophobicContact CB-CD1 3.93Å; R625-Y709 HydrophobicContact CB-CE1 3.76Å; R625-Y709 HydrophobicContact CB-CG 4.46Å; R625-Y709 WeakPolarHBondContact CD-OH 3.38Å; R625-Y709 HydrophobicContact CG-CD1 4.22Å; R625-Y709 HydrophobicContact CG-CD2 4.27Å; R625-Y709 HydrophobicContact CG-CE1 3.87Å; R625-Y709 HydrophobicContact CG-CE2 3.9Å; R625-Y709 HydrophobicContact CG-CG 4.42Å
626	I	94	Very high	90.2	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	137.5	171	-67.1	178.7	0	0	0	108.9	L583 V584 F585 F624 I629 F637 F701 C708 L710	L583-I626 HydrophobicContact CB-CG2 4.33Å; L583-I626 HydrophobicContact CD1-CG2 4.02Å; L583-I626 HydrophobicContact CD2-CG2 3.79Å; L583-I626 HydrophobicContact CG-CG2 4.26Å; V584-I626 CarbonylContact O-C 3.6Å; V584-I626 WeakPolarHBondContact O-CA 3.42Å; F585-I626 HydrophobicContact CD1-CD1 4.39Å; F585-I626 HydrophobicContact CD1-CG1 3.87Å; F585-I626 HydrophobicContact CE1-CD1 3.84Å; F585-I626 HydrophobicContact CE1-CG1 3.81Å; F585-I626 HydrophobicContact CZ-CD1 4.47Å; F624-I626 HydrophobicContact CD2-CG1 4.24Å; F624-I626 HydrophobicContact CE2-CD1 4.07Å; F624-I626 HydrophobicContact CE2-CG1 4.25Å; I626-I629 HydrophobicContact CG2-CD1 4.21Å; I626-I629 HydrophobicContact CG2-CG1 4.03Å; I626-F637 HydrophobicContact CD1-CE1 3.74Å; I626-F637 HydrophobicContact CD1-CZ 3.85Å; I626-F701 HydrophobicContact CD1-CE1 4.49Å; I626-F701 HydrophobicContact CD1-CZ 3.83Å; I626-F701 HydrophobicContact CG2-CE1 4.47Å; I626-F701 HydrophobicContact CG2-CZ 4.06Å; I626-C708 HydrophobicContact CB-CB 4.22Å; I626-C708 PolarHBondContact N-O 3.46Å; I626-C708 PolarHBondContact O-N 2.86Å; I626-L710 HydrophobicContact CD1-CD1 3.61Å; I626-L710 HydrophobicContact CD1-CG 4.17Å
627	Q	90.5	Very high	91.1	Very high	50 Å²	50	21.2 Å²	21.2	23%	0.234	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	-179.8	172.1	-67.4	175.9	-83.4	0	0	110.3	L583 V584 I707	L583-Q627 WeakPolarHBondContact CA-O 3.29Å; V584-Q627 HydrophobicContact CB-CB 4.31Å; V584-Q627 PolarHBondContact N-O 2.8Å; V584-Q627 PolarHBondContact O-N 3.3Å; Q627-I707 HydrophobicContact CG-CB 4.46Å; Q627-I707 HydrophobicContact CG-CG1 4.24Å; Q627-I707 HydrophobicContact CG-CG2 4.17Å
628	N	86.6	Confident	91.9	Very high	34 Å²	34	16.1 Å²	16.1	18%	0.182	8%	0.081	C	C	.	.	S	Bend	trans	60.2	49	-176.5	-162.4	32.2	0	0	0	112.3	C582 V584	C582-N628 PolarHBondContact O-ND2 3.2Å; V584-N628 HydrophobicContact CB-CB 4.46Å; V584-N628 HydrophobicContact CG2-CB 3.88Å
629	I	88.3	Confident	92.3	Very high	10 Å²	10	14.5 Å²	14.5	5%	0.051	7%	0.073	C	C	.	.			trans	-84.1	137.7	-176.4	-70.4	163.7	0	0	0	110.1	L583 I626 F701 Y703 D706 C708	L583-I629 HydrophobicContact CD2-CG1 3.94Å; I626-I629 HydrophobicContact CG2-CD1 4.21Å; I626-I629 HydrophobicContact CG2-CG1 4.03Å; I629-F701 HydrophobicContact CD1-CB 4.37Å; I629-F701 HydrophobicContact CD1-CD1 3.81Å; I629-F701 HydrophobicContact CD1-CE1 4.19Å; I629-F701 HydrophobicContact CD1-CG 4.02Å; I629-F701 HydrophobicContact CG1-CD1 4.41Å; I629-F701 HydrophobicContact CG1-CD2 4.29Å; I629-F701 HydrophobicContact CG1-CG 4.19Å; I629-F701 HydrophobicContact CG2-CB 3.36Å; I629-F701 HydrophobicContact CG2-CD2 4.08Å; I629-F701 HydrophobicContact CG2-CG 3.83Å; I629-Y703 VanDerWaalsContact CG2-O 3.26Å; I629-Y703 WeakPolarHBondContact CG2-O 3.39Å; I629-D706 HydrophobicContact CD1-CB 4.26Å; I629-C708 HydrophobicContact CD1-CB 3.95Å; I629-C708 VanDerWaalsContact CD1-SG 3.5Å
630	L	87.6	Confident	92.4	Very high	7 Å²	7	14.3 Å²	14.3	4%	0.037	7%	0.072	C	C	.	.			trans	-108.2	108.3	165.9	-171.4	67.4	0	0	0	107.9	L529 W578 P581 F633 Y635	L529-L630 HydrophobicContact CD1-CD2 4.47Å; W578-L630 HydrophobicContact CH2-CD2 3.61Å; W578-L630 HydrophobicContact CZ3-CD2 3.94Å; P581-L630 HydrophobicContact CG-CB 4.27Å; P581-L630 HydrophobicContact CG-CD2 4.45Å; L630-F633 HydrophobicContact CB-CD2 4.45Å; L630-F633 HydrophobicContact CD2-CD2 3.57Å; L630-F633 HydrophobicContact CD2-CE2 3.45Å; L630-F633 VanDerWaalsContact CD2-CE2 3.45Å; L630-F633 HydrophobicContact CD2-CG 4.44Å; L630-F633 HydrophobicContact CD2-CZ 4.26Å; L630-F633 HydrophobicContact CG-CD2 3.73Å; L630-F633 HydrophobicContact CG-CE2 3.89Å; L630-Y635 PolarHBondContact N-OH 3.47Å; L630-Y635 PolarHBondContact O-OH 2.75Å
631	P	86	Confident	92.5	Very high	4 Å²	4	14.5 Å²	14.5	3%	0.026	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	161.4	179.9	31	-36.5	0	0	0	110.6	F633 F701	P631-F633 VanDerWaalsContact C-N 3.34Å; P631-F633 WeakPolarHBondContact O-CD2 3.42Å; P631-F701 WeakPolarHBondContact CA-O 3.26Å
632	G	84.3	Confident	92.4	Very high	7 Å²	7	14.3 Å²	14.3	7%	0.072	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.8	6	-179.6	0	0	0	0	0	115.4	R530 E700	R530-G632 VanDerWaalsContact CZ-O 3.32Å; R530-G632 PolarHBondContact NE-O 3.25Å; R530-G632 VanDerWaalsContact NH2-CA 3.27Å; R530-G632 PolarHBondContact NH2-O 3.48Å; G632-E700 WeakPolarHBondContact CA-OE1 3.24Å
633	F	89.6	Confident	91.9	Very high	20 Å²	20	15.1 Å²	15.1	9%	0.088	8%	0.077	C	C	.	.	S	Bend	trans	-124.6	146.3	-179.8	-72.5	-89.8	0	0	0	113.1	I526 L529 R530 W578 F603 L630 P631 Y635	I526-F633 HydrophobicContact CG2-CE2 4.22Å; L529-F633 HydrophobicContact CB-CZ 4.24Å; R530-F633 HydrophobicContact CB-CZ 4.48Å; R530-F633 HydrophobicContact CG-CE1 4Å; R530-F633 HydrophobicContact CG-CE2 4.22Å; R530-F633 HydrophobicContact CG-CZ 3.66Å; W578-F633 HydrophobicContact CH2-CE1 4.19Å; W578-F633 HydrophobicContact CH2-CE2 4.32Å; W578-F633 AromaticContact CH2-CZ 3.87Å; W578-F633 HydrophobicContact CH2-CZ 3.87Å; W578-F633 AromaticContact CZ2-CE1 3.85Å; W578-F633 HydrophobicContact CZ2-CE1 3.85Å; W578-F633 AromaticContact CZ2-CZ 3.78Å; W578-F633 HydrophobicContact CZ2-CZ 3.78Å; F603-F633 HydrophobicContact CD1-CB 4.03Å; F603-F633 HydrophobicContact CD2-CD1 4.48Å; F603-F633 HydrophobicContact CE1-CB 3.63Å; F603-F633 AromaticContact CE1-CD1 3.91Å; F603-F633 HydrophobicContact CE1-CD1 3.91Å; F603-F633 HydrophobicContact CE1-CD2 4.46Å; F603-F633 AromaticContact CE1-CG 3.75Å; F603-F633 HydrophobicContact CE1-CG 3.75Å; F603-F633 AromaticContact CE2-CD1 3.62Å; F603-F633 HydrophobicContact CE2-CD1 3.62Å; F603-F633 HydrophobicContact CE2-CE1 4.13Å; F603-F633 HydrophobicContact CE2-CG 4.31Å; F603-F633 HydrophobicContact CZ-CB 3.94Å; F603-F633 AromaticContact CZ-CD1 3.27Å; F603-F633 HydrophobicContact CZ-CD1 3.27Å; F603-F633 HydrophobicContact CZ-CD2 4.34Å; F603-F633 AromaticContact CZ-CE1 3.8Å; F603-F633 HydrophobicContact CZ-CE1 3.8Å; F603-F633 AromaticContact CZ-CG 3.59Å; F603-F633 HydrophobicContact CZ-CG 3.59Å; L630-F633 HydrophobicContact CB-CD2 4.45Å; L630-F633 HydrophobicContact CD2-CD2 3.57Å; L630-F633 HydrophobicContact CD2-CE2 3.45Å; L630-F633 VanDerWaalsContact CD2-CE2 3.45Å; L630-F633 HydrophobicContact CD2-CG 4.44Å; L630-F633 HydrophobicContact CD2-CZ 4.26Å; L630-F633 HydrophobicContact CG-CD2 3.73Å; L630-F633 HydrophobicContact CG-CE2 3.89Å; P631-F633 VanDerWaalsContact C-N 3.34Å; P631-F633 WeakPolarHBondContact O-CD2 3.42Å; F633-Y635 HydrophobicContact CB-CE2 4.3Å; F633-Y635 VanDerWaalsContact O-CD2 3.3Å; F633-Y635 WeakPolarHBondContact O-CD2 3.16Å
634	I	93.9	Very high	91.2	Very high	72 Å²	72	15.6 Å²	15.6	37%	0.369	8%	0.079	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	115.3	-179.4	-47.2	173.3	0	0	0	109.3	F603 R670 E698	F603-I634 WeakPolarHBondContact CB-O 3.4Å; I634-R670 VanDerWaalsContact CD1-NH2 3.3Å; I634-E698 HydrophobicContact CG2-CB 3.87Å; I634-E698 HydrophobicContact CG2-CG 4Å
635	Y	95.9	Very high	90.3	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	126.3	174.8	-69.4	-95.4	0	0	0	110.6	L583 F603 Y605 L630 F633 F637 E698 M699 F701	L583-Y635 HydrophobicContact CD1-CD1 3.53Å; L583-Y635 HydrophobicContact CD1-CE1 3.65Å; L583-Y635 HydrophobicContact CD1-CG 4.36Å; L583-Y635 HydrophobicContact CD2-CD1 4.39Å; L583-Y635 HydrophobicContact CD2-CE1 3.68Å; L583-Y635 HydrophobicContact CG-CD1 3.99Å; L583-Y635 HydrophobicContact CG-CE1 3.54Å; F603-Y635 HydrophobicContact CB-CD1 4.34Å; F603-Y635 HydrophobicContact CD1-CD1 4.1Å; F603-Y635 AromaticContact CD1-CE1 3.73Å; F603-Y635 HydrophobicContact CD1-CE1 3.73Å; F603-Y635 HydrophobicContact CD1-CE2 4.35Å; F603-Y635 AromaticContact CD1-CZ 3.89Å; F603-Y635 HydrophobicContact CE1-CE1 4.44Å; F603-Y635 WeakPolarHBondContact O-CA 3.42Å; Y605-Y635 HydrophobicContact CD2-CD1 4.36Å; Y605-Y635 AromaticContact CE2-CD1 3.77Å; Y605-Y635 HydrophobicContact CE2-CD1 3.77Å; Y605-Y635 HydrophobicContact CE2-CE1 4.15Å; L630-Y635 PolarHBondContact N-OH 3.47Å; L630-Y635 PolarHBondContact O-OH 2.75Å; F633-Y635 HydrophobicContact CB-CE2 4.3Å; F633-Y635 VanDerWaalsContact O-CD2 3.3Å; F633-Y635 WeakPolarHBondContact O-CD2 3.16Å; Y635-F637 VanDerWaalsContact CB-CE2 3.45Å; Y635-E698 CarbonylContact O-C 3.54Å; Y635-E698 WeakPolarHBondContact O-CA 3.45Å; Y635-M699 PolarHBondContact N-O 3.3Å; Y635-M699 PolarHBondContact O-N 3.32Å; Y635-F701 AromaticContact CD2-CD2 3.6Å; Y635-F701 HydrophobicContact CD2-CD2 3.6Å; Y635-F701 AromaticContact CD2-CE2 3.84Å; Y635-F701 HydrophobicContact CD2-CE2 3.84Å; Y635-F701 AromaticContact CE2-CD2 3.78Å; Y635-F701 HydrophobicContact CE2-CD2 3.78Å; Y635-F701 HydrophobicContact CE2-CE2 4.26Å; Y635-F701 HydrophobicContact CG-CD2 4.23Å; Y635-F701 AromaticContact CG-CE2 3.98Å; Y635-F701 HydrophobicContact CG-CE2 3.98Å
636	T	96.3	Very high	89.3	Confident	17 Å²	17	18.2 Å²	18.2	10%	0.104	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	122.2	177.5	-47.2	0	0	0	0	109.6	F603 H604 Y605 E696 W697 E698	F603-T636 PolarHBondContact O-N 3.2Å; H604-T636 WeakPolarHBondContact CA-O 3.45Å; H604-T636 PolarHBondContact CE1-OG1 3.31Å; H604-T636 VanDerWaalsContact CE1-OG1 3.24Å; H604-T636 PolarHBondContact ND1-OG1 2.86Å; Y605-T636 PolarHBondContact N-O 3.19Å; T636-E696 HydrophobicContact CG2-CG 4.37Å; T636-W697 WeakPolarHBondContact CA-O 3.39Å; T636-E698 HydrophobicContact CG2-CG 4.45Å
637	F	96.8	Very high	88.2	Confident	0 Å²	0	19.5 Å²	19.5	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	135.9	-180	-62.1	-92	0	0	0	110.1	L583 F585 Y605 L607 I626 Y635 E696 W697 M699 F701	L583-F637 HydrophobicContact CD1-CE1 3.98Å; L583-F637 HydrophobicContact CD1-CZ 3.77Å; F585-F637 HydrophobicContact CE1-CE1 4.03Å; F585-F637 AromaticContact CZ-CE1 3.96Å; F585-F637 HydrophobicContact CZ-CE1 3.96Å; Y605-F637 WeakPolarHBondContact O-CA 3.3Å; L607-F637 HydrophobicContact CD1-CB 4.12Å; L607-F637 HydrophobicContact CD1-CD1 3.91Å; I626-F637 HydrophobicContact CD1-CE1 3.74Å; I626-F637 HydrophobicContact CD1-CZ 3.85Å; Y635-F637 VanDerWaalsContact CB-CE2 3.45Å; F637-E696 WeakPolarHBondContact O-CA 3.41Å; F637-W697 HydrophobicContact CB-CD2 3.82Å; F637-W697 VanDerWaalsContact CB-CE2 3.5Å; F637-W697 HydrophobicContact CB-CE3 3.97Å; F637-W697 HydrophobicContact CB-CH2 3.6Å; F637-W697 HydrophobicContact CB-CZ2 3.4Å; F637-W697 HydrophobicContact CB-CZ3 3.87Å; F637-W697 HydrophobicContact CD1-CZ2 4.47Å; F637-W697 AromaticContact CD2-CE2 3.99Å; F637-W697 HydrophobicContact CD2-CZ2 4.24Å; F637-W697 AromaticContact CD2-NE1 3.69Å; F637-W697 AromaticContact CG-CE2 3.96Å; F637-W697 HydrophobicContact CG-CH2 4.41Å; F637-W697 AromaticContact CG-CZ2 3.82Å; F637-W697 HydrophobicContact CG-CZ2 3.82Å; F637-W697 PolarHBondContact N-O 2.86Å; F637-W697 PolarHBondContact O-N 2.98Å; F637-M699 HydrophobicContact CD2-CG 3.88Å; F637-M699 HydrophobicContact CD2-SD 4.19Å; F637-M699 HydrophobicContact CE2-CG 3.53Å; F637-M699 HydrophobicContact CE2-SD 3.79Å; F637-F701 HydrophobicContact CE2-CE2 4.23Å; F637-F701 HydrophobicContact CE2-CZ 4.29Å; F637-F701 AromaticContact CZ-CE2 3.92Å; F637-F701 HydrophobicContact CZ-CE2 3.92Å; F637-F701 AromaticContact CZ-CZ 3.88Å; F637-F701 HydrophobicContact CZ-CZ 3.88Å
638	L	94.8	Very high	87.6	Confident	30 Å²	30	18 Å²	18	16%	0.157	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	102.1	-179.6	-178.4	69.4	0	0	0	110.7	Y605 E606 L607 I640 Q694 L695 E696	Y605-L638 PolarHBondContact O-N 3.01Å; E606-L638 CarbonylContact C-O 3.58Å; E606-L638 WeakPolarHBondContact CA-O 3.15Å; L607-L638 PolarHBondContact N-O 3.03Å; L638-I640 HydrophobicContact CD2-CG2 3.78Å; L638-I640 HydrophobicContact CG-CG2 3.74Å; L638-Q694 HydrophobicContact CD1-CB 4.09Å; L638-Q694 HydrophobicContact CD1-CG 4.23Å; L638-L695 CarbonylContact C-O 3.56Å; L638-L695 WeakPolarHBondContact CA-O 3.35Å; L638-E696 HydrophobicContact CD1-CB 3.71Å; L638-E696 HydrophobicContact CD1-CG 4.05Å
639	I	95.3	Very high	87.4	Confident	0 Å²	0	19 Å²	19	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	119.2	169.5	-66.7	167.4	0	0	0	108.4	L607 L609 Y622 F642 Q694 L695 W697	L607-I639 HydrophobicContact CB-CB 4.49Å; L607-I639 HydrophobicContact CB-CG1 3.75Å; L607-I639 HydrophobicContact CD2-CG1 4.29Å; L607-I639 WeakPolarHBondContact O-CA 3.3Å; L609-I639 HydrophobicContact CD1-CD1 4.46Å; L609-I639 HydrophobicContact CD1-CG2 3.82Å; L609-I639 HydrophobicContact CD2-CD1 4.45Å; L609-I639 HydrophobicContact CG-CG2 3.77Å; Y622-I639 HydrophobicContact CD1-CD1 3.87Å; Y622-I639 HydrophobicContact CD2-CD1 4.49Å; Y622-I639 HydrophobicContact CE1-CD1 3.98Å; Y622-I639 HydrophobicContact CG-CD1 4.14Å; I639-F642 HydrophobicContact CB-CD2 4.33Å; I639-F642 HydrophobicContact CB-CE2 3.73Å; I639-F642 HydrophobicContact CB-CZ 4.22Å; I639-F642 HydrophobicContact CD1-CE2 4.03Å; I639-F642 HydrophobicContact CD1-CZ 3.81Å; I639-F642 HydrophobicContact CG1-CE2 4.49Å; I639-F642 HydrophobicContact CG2-CD2 3.76Å; I639-F642 HydrophobicContact CG2-CE1 4.25Å; I639-F642 HydrophobicContact CG2-CE2 3.41Å; I639-F642 VanDerWaalsContact CG2-CE2 3.41Å; I639-F642 HydrophobicContact CG2-CG 4.33Å; I639-F642 HydrophobicContact CG2-CZ 3.68Å; I639-Q694 CarbonylContact O-C 3.58Å; I639-Q694 WeakPolarHBondContact O-CA 3.45Å; I639-Q694 WeakPolarHBondContact O-CB 3.21Å; I639-L695 PolarHBondContact N-O 2.95Å; I639-L695 PolarHBondContact O-N 3.14Å; I639-W697 HydrophobicContact CD1-CH2 3.74Å; I639-W697 HydrophobicContact CD1-CZ3 3.87Å; I639-W697 HydrophobicContact CG1-CH2 4.01Å; I639-W697 HydrophobicContact CG1-CZ3 3.95Å
640	I	93.7	Very high	87.5	Confident	1 Å²	1	18.6 Å²	18.6	1%	0.005	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	-3.8	-166.8	58.2	161	0	0	0	116.8	E606 L607 L608 L638 N677 N683 L686 Y693	E606-I640 HydrophobicContact CG-CD1 4.17Å; E606-I640 HydrophobicContact CG-CG1 4.27Å; E606-I640 HydrophobicContact CG-CG2 3.51Å; L607-I640 PolarHBondContact O-N 2.9Å; L608-I640 HydrophobicContact CD1-CD1 4.22Å; L608-I640 HydrophobicContact CD1-CG1 4.21Å; L638-I640 HydrophobicContact CD2-CG2 3.78Å; L638-I640 HydrophobicContact CG-CG2 3.74Å; I640-N677 PolarHBondContact O-ND2 3.04Å; I640-N683 HydrophobicContact CD1-CB 3.62Å; I640-L686 HydrophobicContact CD1-CD1 3.91Å; I640-Y693 CarbonylContact C-O 3.44Å
641	N	92.5	Very high	87.8	Confident	7 Å²	7	18.2 Å²	18.2	4%	0.037	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	27.1	-162.9	77.9	-38.4	0	0	0	116.7	L608 L609 V619 L686 Y692 Y693	L608-N641 HydrophobicContact CD1-CB 3.84Å; L608-N641 WeakPolarHBondContact CD1-ND2 3.34Å; L609-N641 PolarHBondContact N-OD1 3.46Å; L609-N641 PolarHBondContact O-ND2 2.88Å; V619-N641 WeakPolarHBondContact CB-O 3.3Å; V619-N641 WeakPolarHBondContact CG1-O 3.47Å; N641-L686 HydrophobicContact CB-CD2 3.63Å; N641-Y692 HydrophobicContact CB-CD1 4.16Å; N641-Y692 HydrophobicContact CB-CE1 4.45Å; N641-Y693 PolarHBondContact N-O 2.78Å
642	F	91.2	Very high	88.2	Confident	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	151.6	173.3	-74.5	-58.2	0	0	0	112.5	L609 Q620 Y622 I639 Y674 Y693 L695	L609-F642 HydrophobicContact CD1-CD1 4.06Å; L609-F642 HydrophobicContact CD1-CE1 3.36Å; L609-F642 HydrophobicContact CD1-CZ 3.81Å; Q620-F642 WeakPolarHBondContact O-CE1 3.34Å; Y622-F642 HydrophobicContact CD1-CE1 4.17Å; Y622-F642 AromaticContact CD1-CZ 3.78Å; Y622-F642 HydrophobicContact CD1-CZ 3.78Å; Y622-F642 AromaticContact CE1-CZ 3.83Å; Y622-F642 HydrophobicContact CE1-CZ 3.83Å; I639-F642 HydrophobicContact CB-CD2 4.33Å; I639-F642 HydrophobicContact CB-CE2 3.73Å; I639-F642 HydrophobicContact CB-CZ 4.22Å; I639-F642 HydrophobicContact CD1-CE2 4.03Å; I639-F642 HydrophobicContact CD1-CZ 3.81Å; I639-F642 HydrophobicContact CG1-CE2 4.49Å; I639-F642 HydrophobicContact CG2-CD2 3.76Å; I639-F642 HydrophobicContact CG2-CE1 4.25Å; I639-F642 HydrophobicContact CG2-CE2 3.41Å; I639-F642 VanDerWaalsContact CG2-CE2 3.41Å; I639-F642 HydrophobicContact CG2-CG 4.33Å; I639-F642 HydrophobicContact CG2-CZ 3.68Å; F642-Y674 WeakPolarHBondContact CB-OH 3.13Å; F642-Y674 AromaticContact CD2-CE2 3.77Å; F642-Y674 HydrophobicContact CD2-CE2 3.77Å; F642-Y674 HydrophobicContact CE2-CE2 4.38Å; F642-Y674 HydrophobicContact CG-CE2 4.42Å; F642-Y693 PolarHBondContact N-O 3.24Å; F642-Y693 PolarHBondContact O-N 3.26Å; F642-L695 HydrophobicContact CD2-CB 4.02Å; F642-L695 HydrophobicContact CE2-CB 3.58Å; F642-L695 HydrophobicContact CE2-CD2 4.02Å; F642-L695 HydrophobicContact CE2-CG 4.47Å
643	T	85	Confident	88.6	Confident	16 Å²	16	17.9 Å²	17.9	10%	0.098	10%	0.1	C	C	.	.	S	Bend	trans	-113.2	23.3	-177.2	56.1	0	0	0	0	113.5	R617 V619 N1148	R617-T643 WeakPolarHBondContact O-CB 3.45Å; R617-T643 PolarHBondContact O-OG1 3.07Å; R617-T643 VanDerWaalsContact O-OG1 3.08Å; V619-T643 HydrophobicContact CB-CG2 3.96Å; V619-T643 HydrophobicContact CG2-CG2 3.84Å; V619-T643 PolarHBondContact N-OG1 2.85Å; V619-T643 VanDerWaalsContact N-OG1 3.08Å; V619-T643 PolarHBondContact O-N 3.45Å; V619-T643 PolarHBondContact O-OG1 3.21Å; T643-N1148 PolarHBondContact O-ND2 3.43Å; T643-N1148 VanDerWaalsContact O-ND2 3.08Å
644	K	81.1	Confident	88.7	Confident	10 Å²	10	17 Å²	17	4%	0.043	10%	0.096	C	C	.	.	S	Bend	trans	-132.6	156.8	174.6	-65.6	-171.2	-176.3	173.2	0	109.7	Q620 T646 Y674 Y693 Y818 S868 N1148	Q620-K644 HydrophobicContact CG-CD 4.4Å; Q620-K644 VanDerWaalsContact OE1-CD 3.3Å; K644-T646 VanDerWaalsContact C-N 3.28Å; K644-T646 PolarHBondContact O-N 3.22Å; K644-Y674 VanDerWaalsContact O-CE1 3.28Å; K644-Y674 WeakPolarHBondContact O-CE1 3.17Å; K644-Y674 PolarHBondContact O-OH 2.82Å; K644-Y693 WeakPolarHBondContact O-CB 3.41Å; K644-Y693 WeakPolarHBondContact O-CD2 3.49Å; K644-Y818 PolarHBondContact NZ-OH 3.33Å; K644-S868 PolarHBondContact NZ-OG 3.2Å; K644-N1148 WeakPolarHBondContact CE-O 3.36Å; K644-N1148 HydrophobicContact CG-CB 4.47Å
645	S	77.1	Confident	88.5	Confident	43 Å²	43	17.2 Å²	17.2	30%	0.301	10%	0.095	S	C	.	.	S	Bend	trans	-80.2	2.5	178.3	55.4	0	0	0	0	115.6	Y674	S645-Y674 VanDerWaalsContact O-CD1 3.29Å; S645-Y674 WeakPolarHBondContact O-CD1 3.44Å; S645-Y674 WeakPolarHBondContact O-CE1 3.38Å
646	T	74.8	Confident	88.2	Confident	55 Å²	55	19.2 Å²	19.2	34%	0.337	11%	0.105	S	C	.	.			trans	-150.5	153.1	-178.6	32.1	0	0	0	0	111.4	K644	K644-T646 VanDerWaalsContact C-N 3.28Å; K644-T646 PolarHBondContact O-N 3.22Å
647	S	71.3	Confident	87.8	Confident	27 Å²	27	19.1 Å²	19.1	19%	0.189	10%	0.104	C	C	.	.			trans	-145.2	174.2	172.1	-174.7	0	0	0	0	110.8
648	L	77	Confident	87.3	Confident	19 Å²	19	20.8 Å²	20.8	10%	0.099	11%	0.11	C	C	.	.	P	Polyproline II helix	trans	-101.8	167.8	-176.8	-55	166.6	0	0	0	111.6	Y712 F949 N950	L648-Y712 HydrophobicContact CD1-CE1 4.24Å; L648-Y712 HydrophobicContact CD1-CE2 3.91Å; L648-Y712 HydrophobicContact CG-CE2 4.2Å; L648-F949 HydrophobicContact CD1-CB 3.34Å; L648-F949 HydrophobicContact CD1-CG 4.11Å; L648-N950 HydrophobicContact CD2-CB 3.92Å
649	Q	83.1	Confident	87	Confident	55 Å²	55	25.7 Å²	25.7	26%	0.257	13%	0.132	S	C	.	.	P	Polyproline II helix	trans	-58.8	134.8	163.8	-113	-175.7	-28.8	0	0	110.8	V668 G669 I672	Q649-V668 WeakPolarHBondContact CG-O 3.29Å; Q649-G669 PolarHBondContact NE2-O 3.04Å; Q649-I672 HydrophobicContact CB-CD1 4.44Å; Q649-I672 HydrophobicContact CG-CD1 3.26Å
650	P	91.1	Very high	86.5	Confident	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.158	C	C	.	.	P	Polyproline II helix	trans	-64.4	145.7	173.3	25.9	-33	0	0	0	111.9	Y622 V668 W697	Y622-P650 WeakPolarHBondContact OH-CA 3.21Å; Y622-P650 WeakPolarHBondContact OH-CB 3.34Å; P650-V668 HydrophobicContact CB-CG2 4.45Å; P650-V668 WeakPolarHBondContact CD-O 3.23Å; P650-V668 HydrophobicContact CG-CG2 4.13Å; P650-V668 WeakPolarHBondContact CG-O 3.37Å; P650-V668 PolarHBondContact O-N 3.1Å; P650-W697 HydrophobicContact CB-CZ2 4.46Å; P650-W697 HydrophobicContact CG-CD2 4.13Å; P650-W697 HydrophobicContact CG-CG 4.11Å
651	L	93.1	Very high	86.1	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	138.3	166.3	-76.3	169.3	0	0	0	110.4	W665 I666 R667 L710 A711 S713 Y714	L651-W665 HydrophobicContact CB-CE3 3.82Å; L651-W665 HydrophobicContact CB-CZ3 4.23Å; L651-I666 WeakPolarHBondContact CA-O 3.43Å; L651-R667 HydrophobicContact CD2-CB 4.31Å; L651-R667 HydrophobicContact CD2-CG 3.37Å; L651-R667 HydrophobicContact CG-CG 4.32Å; L651-L710 VanDerWaalsContact O-CA 3.29Å; L651-L710 WeakPolarHBondContact O-CA 3.36Å; L651-L710 WeakPolarHBondContact O-CD2 3.49Å; L651-A711 PolarHBondContact N-O 3.5Å; L651-A711 PolarHBondContact O-N 2.69Å; L651-S713 VanDerWaalsContact CD1-C 3.47Å; L651-Y714 HydrophobicContact CD1-CD1 3.6Å; L651-Y714 HydrophobicContact CD1-CD2 3.99Å; L651-Y714 HydrophobicContact CD1-CE1 3.7Å; L651-Y714 HydrophobicContact CD1-CE2 4.06Å; L651-Y714 HydrophobicContact CD1-CG 3.74Å; L651-Y714 HydrophobicContact CD2-CD1 4.34Å; L651-Y714 HydrophobicContact CD2-CE1 3.66Å; L651-Y714 HydrophobicContact CG-CE1 4.37Å
652	L	94.1	Very high	85.5	Confident	2 Å²	2	37.2 Å²	37.2	1%	0.01	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	129.1	169.5	175.9	67.6	0	0	0	109.7	W665 I666 V668 M699 F701 C708 Y709 L710	L652-W665 WeakPolarHBondContact O-CA 3.36Å; L652-I666 HydrophobicContact CB-CG1 4.21Å; L652-I666 HydrophobicContact CD2-CD1 4.4Å; L652-I666 PolarHBondContact N-O 2.88Å; L652-I666 PolarHBondContact O-N 3.3Å; L652-V668 HydrophobicContact CB-CB 4.38Å; L652-V668 HydrophobicContact CB-CG1 3.67Å; L652-V668 HydrophobicContact CB-CG2 3.77Å; L652-V668 HydrophobicContact CD2-CG1 4.01Å; L652-V668 HydrophobicContact CG-CG1 4.49Å; L652-M699 HydrophobicContact CD1-CE 4.33Å; L652-M699 HydrophobicContact CD2-CE 3.96Å; L652-F701 HydrophobicContact CD1-CD1 4.49Å; L652-F701 HydrophobicContact CD1-CE1 4.09Å; L652-C708 HydrophobicContact CD1-CB 3.74Å; L652-Y709 WeakPolarHBondContact CA-O 3.39Å; L652-L710 HydrophobicContact CB-CD2 3.92Å; L652-L710 HydrophobicContact CD1-CD2 3.74Å; L652-L710 HydrophobicContact CD1-CG 4.45Å; L652-L710 HydrophobicContact CG-CD2 4.44Å
653	Y	92.8	Very high	84.7	Confident	2 Å²	2	43.8 Å²	43.8	1%	0.008	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	135.4	154	175.1	-81.4	0	0	0	107.5	L501 K655 Y658 K664 W665 C708 Y709	L501-Y653 HydrophobicContact CD2-CD1 4.09Å; L501-Y653 HydrophobicContact CD2-CD2 3.48Å; L501-Y653 VanDerWaalsContact CD2-CD2 3.48Å; L501-Y653 HydrophobicContact CD2-CE1 4.15Å; L501-Y653 HydrophobicContact CD2-CE2 3.58Å; L501-Y653 HydrophobicContact CD2-CG 3.77Å; Y653-K655 HydrophobicContact CE1-CB 4.12Å; Y653-Y658 HydrophobicContact CE2-CD1 4.24Å; Y653-Y658 HydrophobicContact CE2-CG 4.27Å; Y653-Y658 VanDerWaalsContact OH-CD1 3.31Å; Y653-Y658 WeakPolarHBondContact OH-CD1 3.47Å; Y653-K664 WeakPolarHBondContact CA-O 3.19Å; Y653-K664 HydrophobicContact CD2-CB 4.44Å; Y653-K664 WeakPolarHBondContact CD2-O 3.25Å; Y653-K664 HydrophobicContact CE2-CB 4.41Å; Y653-W665 HydrophobicContact CG-CZ2 4.49Å; Y653-W665 VanDerWaalsContact N-CE3 3.34Å; Y653-C708 CarbonylContact O-C 3.56Å; Y653-C708 VanDerWaalsContact O-CA 3.26Å; Y653-C708 WeakPolarHBondContact O-CA 3.3Å; Y653-Y709 HydrophobicContact CD1-CD2 4.09Å; Y653-Y709 PolarHBondContact N-O 2.82Å; Y653-Y709 PolarHBondContact O-N 2.85Å
654	S	92.3	Very high	84.5	Confident	1 Å²	1	45 Å²	45	1%	0.007	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	126.4	174.3	152	0	0	0	0	106.9	N657 Y658 D706	S654-N657 PolarHBondContact O-N 2.74Å; S654-N657 WeakPolarHBondContact OG-CB 3.41Å; S654-N657 PolarHBondContact OG-N 2.64Å; S654-Y658 PolarHBondContact O-N 2.95Å; S654-D706 WeakPolarHBondContact CB-OD2 3.48Å; S654-D706 PolarHBondContact OG-OD2 3.35Å
655	K	89.4	Confident	85	Confident	77 Å²	77	45.3 Å²	45.3	34%	0.335	24%	0.235	S	C	.	.	H	α-helix	trans	-66.6	-44.1	-175.3	-169.1	-169.3	171.5	-173	0	109.6	Y653 Y658 Q659 D706 I707	Y653-K655 HydrophobicContact CE1-CB 4.12Å; K655-Y658 PolarHBondContact O-N 3.45Å; K655-Q659 VanDerWaalsContact O-CG 3.29Å; K655-Q659 WeakPolarHBondContact O-CG 3.16Å; K655-Q659 PolarHBondContact O-N 3.38Å; K655-Q659 PolarHBondContact O-OE1 2.77Å; K655-D706 WeakPolarHBondContact CB-OD1 3.4Å; K655-D706 PolarHBondContact N-OD1 2.72Å; K655-I707 HydrophobicContact CB-CB 4.4Å; K655-I707 PolarHBondContact N-O 2.98Å
656	I	90.5	Very high	85.6	Confident	41 Å²	41	45.8 Å²	45.8	21%	0.21	23%	0.234	C	C	.	.	H	α-helix	trans	-67.3	-40.8	177.5	-61.6	176.8	0	0	0	111.2	Y658 Q659 Q660 Y703 D706	I656-Y658 VanDerWaalsContact C-N 3.31Å; I656-Y658 PolarHBondContact O-N 3.4Å; I656-Q659 PolarHBondContact O-N 2.82Å; I656-Q660 HydrophobicContact CG2-CG 4.17Å; I656-Q660 WeakPolarHBondContact O-CB 3.2Å; I656-Q660 WeakPolarHBondContact O-CG 3.39Å; I656-Q660 PolarHBondContact O-N 3.48Å; I656-Y703 HydrophobicContact CB-CD2 3.66Å; I656-Y703 HydrophobicContact CB-CE2 4.18Å; I656-Y703 HydrophobicContact CB-CG 3.89Å; I656-Y703 HydrophobicContact CD1-CG 4.47Å; I656-Y703 HydrophobicContact CG2-CD1 3.68Å; I656-Y703 HydrophobicContact CG2-CD2 3.6Å; I656-Y703 HydrophobicContact CG2-CE1 3.89Å; I656-Y703 HydrophobicContact CG2-CE2 3.86Å; I656-Y703 HydrophobicContact CG2-CG 3.52Å; I656-D706 HydrophobicContact CD1-CB 3.9Å; I656-D706 HydrophobicContact CG1-CB 4.25Å; I656-D706 PolarHBondContact N-OD1 3.29Å
657	N	87.6	Confident	86.3	Confident	15 Å²	15	45.1 Å²	45.1	8%	0.08	23%	0.225	C	C	.	.	H	α-helix	trans	-60.9	-39.7	175.1	-173.4	66.7	0	0	0	112.5	S654 N661 K663 Y703	S654-N657 PolarHBondContact O-N 2.74Å; S654-N657 WeakPolarHBondContact OG-CB 3.41Å; S654-N657 PolarHBondContact OG-N 2.64Å; N657-N661 WeakPolarHBondContact O-CA 3.44Å; N657-N661 WeakPolarHBondContact O-CB 3.4Å; N657-N661 PolarHBondContact O-N 2.86Å; N657-N661 PolarHBondContact OD1-ND2 2.97Å; N657-K663 PolarHBondContact ND2-O 3.29Å; N657-Y703 HydrophobicContact CB-CE2 3.87Å
658	Y	86.6	Confident	87.2	Confident	35 Å²	35	44.9 Å²	44.9	14%	0.137	22%	0.222	C	C	.	.	H	α-helix	trans	-65	-45.7	175.5	177	-133.6	0	0	0	111.2	N500 I503 Y653 S654 K655 I656 Q660 G662 K664	N500-Y658 WeakPolarHBondContact O-CE1 3.24Å; I503-Y658 PolarHBondContact O-OH 2.78Å; I503-Y658 VanDerWaalsContact O-OH 3.05Å; Y653-Y658 HydrophobicContact CE2-CD1 4.24Å; Y653-Y658 HydrophobicContact CE2-CG 4.27Å; Y653-Y658 VanDerWaalsContact OH-CD1 3.31Å; Y653-Y658 WeakPolarHBondContact OH-CD1 3.47Å; S654-Y658 PolarHBondContact O-N 2.95Å; K655-Y658 PolarHBondContact O-N 3.45Å; I656-Y658 VanDerWaalsContact C-N 3.31Å; I656-Y658 PolarHBondContact O-N 3.4Å; Y658-Q660 VanDerWaalsContact C-N 3.35Å; Y658-Q660 PolarHBondContact O-N 2.77Å; Y658-G662 VanDerWaalsContact CD2-O 3.32Å; Y658-G662 WeakPolarHBondContact CD2-O 3.15Å; Y658-G662 WeakPolarHBondContact O-CA 3.11Å; Y658-G662 PolarHBondContact O-N 2.71Å; Y658-K664 HydrophobicContact CD2-CB 4.34Å; Y658-K664 HydrophobicContact CD2-CG 3.42Å; Y658-K664 VanDerWaalsContact CD2-CG 3.42Å; Y658-K664 HydrophobicContact CE2-CD 4.03Å; Y658-K664 HydrophobicContact CE2-CG 3.37Å; Y658-K664 HydrophobicContact CG-CG 4.11Å; Y658-K664 WeakPolarHBondContact OH-CE 3.47Å
659	Q	86.9	Confident	87.9	Confident	133 Å²	133	44.8 Å²	44.8	62%	0.621	23%	0.226	S	C	*	.	H	α-helix	trans	-66	-30.8	180	-69.9	177.7	-79.8	0	0	113.9	K655 I656	K655-Q659 VanDerWaalsContact O-CG 3.29Å; K655-Q659 WeakPolarHBondContact O-CG 3.16Å; K655-Q659 PolarHBondContact O-N 3.38Å; K655-Q659 PolarHBondContact O-OE1 2.77Å; I656-Q659 PolarHBondContact O-N 2.82Å
660	Q	85.5	Confident	88.4	Confident	117 Å²	117	47.4 Å²	47.4	55%	0.547	23%	0.233	S	C	.	.	H	α-helix	trans	-91.8	-41.6	179.2	-68.2	-176.2	4.9	0	0	113.6	I656 Y658 Y703	I656-Q660 HydrophobicContact CG2-CG 4.17Å; I656-Q660 WeakPolarHBondContact O-CB 3.2Å; I656-Q660 WeakPolarHBondContact O-CG 3.39Å; I656-Q660 PolarHBondContact O-N 3.48Å; Y658-Q660 VanDerWaalsContact C-N 3.35Å; Y658-Q660 PolarHBondContact O-N 2.77Å; Q660-Y703 PolarHBondContact OE1-OH 3.24Å
661	N	84.5	Confident	88.4	Confident	86 Å²	86	51.7 Å²	51.7	46%	0.46	26%	0.256	S	S	.	.	H	α-helix	trans	-119.4	4.1	-164.9	-56.1	-46.1	0	0	0	113.8	N657 K663 Y703	N657-N661 WeakPolarHBondContact O-CA 3.44Å; N657-N661 WeakPolarHBondContact O-CB 3.4Å; N657-N661 PolarHBondContact O-N 2.86Å; N657-N661 PolarHBondContact OD1-ND2 2.97Å; N661-K663 PolarHBondContact O-N 2.85Å; N661-Y703 PolarHBondContact ND2-OH 2.98Å; N661-Y703 VanDerWaalsContact ND2-OH 3.14Å
662	G	80.4	Confident	88.4	Confident	48 Å²	48	54.8 Å²	54.8	50%	0.495	27%	0.272	S	S	.	.			trans	67.2	-13.4	-176.9	0	0	0	0	0	115.7	Y658 K664	Y658-G662 VanDerWaalsContact CD2-O 3.32Å; Y658-G662 WeakPolarHBondContact CD2-O 3.15Å; Y658-G662 WeakPolarHBondContact O-CA 3.11Å; Y658-G662 PolarHBondContact O-N 2.71Å; G662-K664 PolarHBondContact O-N 2.85Å; G662-K664 VanDerWaalsContact O-N 3.07Å
663	K	74.2	Confident	88.2	Confident	138 Å²	138	59.1 Å²	59.1	60%	0.6	29%	0.291	S	S	*	.			trans	-78.7	94.6	-174.3	-72.6	178	-178.1	-179.8	0	111.8	N657 N661 I666	N657-K663 PolarHBondContact ND2-O 3.29Å; N661-K663 PolarHBondContact O-N 2.85Å; K663-I666 HydrophobicContact CB-CG2 4.13Å
664	K	80.6	Confident	88.1	Confident	41 Å²	41	61.6 Å²	61.6	18%	0.178	30%	0.301	C	S	.	.			trans	-56	-67.5	178.8	-64.7	166.6	-172.1	167.7	0	112	Y502 E504 Y653 Y658 G662	Y502-K664 PolarHBondContact O-NZ 2.93Å; E504-K664 IonicContact OE1-NZ 3.36Å; E504-K664 PolarHBondContact OE1-NZ 2.83Å; Y653-K664 WeakPolarHBondContact CA-O 3.19Å; Y653-K664 HydrophobicContact CD2-CB 4.44Å; Y653-K664 WeakPolarHBondContact CD2-O 3.25Å; Y653-K664 HydrophobicContact CE2-CB 4.41Å; Y658-K664 HydrophobicContact CD2-CB 4.34Å; Y658-K664 HydrophobicContact CD2-CG 3.42Å; Y658-K664 VanDerWaalsContact CD2-CG 3.42Å; Y658-K664 HydrophobicContact CE2-CD 4.03Å; Y658-K664 HydrophobicContact CE2-CG 3.37Å; Y658-K664 HydrophobicContact CG-CG 4.11Å; Y658-K664 WeakPolarHBondContact OH-CE 3.47Å; G662-K664 PolarHBondContact O-N 2.85Å; G662-K664 VanDerWaalsContact O-N 3.07Å
665	W	91.1	Very high	88	Confident	16 Å²	16	64.4 Å²	64.4	6%	0.061	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	123.6	-175.9	-73.9	98.2	0	0	0	111.6	L501 Y502 F623 L651 L652 Y653 A711 Y714 P715	L501-W665 HydrophobicContact CD2-CZ2 3.96Å; Y502-W665 AromaticContact CZ-NE1 3.9Å; Y502-W665 PolarHBondContact OH-NE1 3.48Å; Y502-W665 VanDerWaalsContact OH-NE1 3.12Å; F623-W665 AromaticContact CE2-CH2 3.97Å; F623-W665 HydrophobicContact CE2-CH2 3.97Å; F623-W665 HydrophobicContact CE2-CZ2 4.45Å; L651-W665 HydrophobicContact CB-CE3 3.82Å; L651-W665 HydrophobicContact CB-CZ3 4.23Å; L652-W665 WeakPolarHBondContact O-CA 3.36Å; Y653-W665 HydrophobicContact CG-CZ2 4.49Å; Y653-W665 VanDerWaalsContact N-CE3 3.34Å; W665-A711 HydrophobicContact CH2-CB 3.93Å; W665-A711 HydrophobicContact CZ3-CB 3.82Å; W665-Y714 HydrophobicContact CB-CD1 3.7Å; W665-Y714 HydrophobicContact CB-CE1 3.68Å; W665-Y714 AromaticContact CG-CD1 3.95Å; W665-Y714 HydrophobicContact CG-CD1 3.95Å; W665-Y714 HydrophobicContact CG-CE1 4.43Å; W665-P715 HydrophobicContact CH2-CG 3.72Å; W665-P715 HydrophobicContact CZ2-CG 3.58Å
666	I	89.9	Confident	87.9	Confident	53 Å²	53	65.8 Å²	65.8	27%	0.272	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	143.3	178.3	56.5	170.3	0	0	0	111.5	L651 L652 K663 V668	L651-I666 WeakPolarHBondContact CA-O 3.43Å; L652-I666 HydrophobicContact CB-CG1 4.21Å; L652-I666 HydrophobicContact CD2-CD1 4.4Å; L652-I666 PolarHBondContact N-O 2.88Å; L652-I666 PolarHBondContact O-N 3.3Å; K663-I666 HydrophobicContact CB-CG2 4.13Å; I666-V668 HydrophobicContact CD1-CG1 4.02Å; I666-V668 HydrophobicContact CG1-CG1 3.94Å
667	R	89.6	Confident	87.7	Confident	41 Å²	41	64.2 Å²	64.2	16%	0.155	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	123	174.7	-67.2	177.2	-176.2	-97.4	12.6	109.2	L651 Y714 F949 N950 F962	L651-R667 HydrophobicContact CD2-CB 4.31Å; L651-R667 HydrophobicContact CD2-CG 3.37Å; L651-R667 HydrophobicContact CG-CG 4.32Å; R667-Y714 PolarHBondContact NE-OH 3.47Å; R667-F949 PolarHBondContact NH2-O 3.46Å; R667-N950 PolarHBondContact NH2-O 3.02Å; R667-F962 PolarHBondContact NH2-O 3.06Å
668	V	91.8	Very high	87.2	Confident	22 Å²	22	68.5 Å²	68.5	13%	0.133	34%	0.34	C	S	.	.			trans	-122.6	178	-174.3	-59.9	0	0	0	0	111.8	Q649 P650 L652 I666 M699 L710	Q649-V668 WeakPolarHBondContact CG-O 3.29Å; P650-V668 HydrophobicContact CB-CG2 4.45Å; P650-V668 WeakPolarHBondContact CD-O 3.23Å; P650-V668 HydrophobicContact CG-CG2 4.13Å; P650-V668 WeakPolarHBondContact CG-O 3.37Å; P650-V668 PolarHBondContact O-N 3.1Å; L652-V668 HydrophobicContact CB-CB 4.38Å; L652-V668 HydrophobicContact CB-CG1 3.67Å; L652-V668 HydrophobicContact CB-CG2 3.77Å; L652-V668 HydrophobicContact CD2-CG1 4.01Å; L652-V668 HydrophobicContact CG-CG1 4.49Å; I666-V668 HydrophobicContact CD1-CG1 4.02Å; I666-V668 HydrophobicContact CG1-CG1 3.94Å; V668-M699 HydrophobicContact CG2-CE 4.13Å; V668-M699 HydrophobicContact CG2-SD 4Å; V668-L710 HydrophobicContact CG2-CD2 4.31Å
669	G	90.8	Very high	86.3	Confident	17 Å²	17	72.6 Å²	72.6	18%	0.175	36%	0.362	C	S	.	.			trans	100.6	127.5	177.6	0	0	0	0	0	113	Q649 I672 E698	Q649-G669 PolarHBondContact NE2-O 3.04Å; G669-I672 WeakPolarHBondContact O-CD1 3.16Å; G669-E698 CarbonylContact C-O 3.55Å; G669-E698 VanDerWaalsContact CA-O 3.31Å; G669-E698 WeakPolarHBondContact CA-O 3.05Å
670	R	93.1	Very high	85.2	Confident	110 Å²	110	67.6 Å²	67.6	42%	0.415	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	170.9	165.5	60.6	177.1	160.3	112.7	-24.8	110	I634 I672 E698	I634-R670 VanDerWaalsContact CD1-NH2 3.3Å; R670-I672 PolarHBondContact O-N 3.26Å; R670-I672 VanDerWaalsContact O-N 3.11Å; R670-E698 HydrophobicContact CG-CB 3.9Å; R670-E698 IonicContact CZ-OE2 2.71Å; R670-E698 PolarHBondContact N-O 3.5Å; R670-E698 IonicContact NH1-OE2 3.55Å; R670-E698 PolarHBondContact NH1-OE2 3.34Å; R670-E698 PolarHBondContact O-N 3.33Å
671	N	92.5	Very high	83.9	Confident	90 Å²	90	68.8 Å²	68.8	48%	0.481	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	50.3	36.3	-178.1	-65.8	-11	0	0	0	113.3	K673 E698	N671-K673 PolarHBondContact O-N 3.37Å; N671-E698 HydrophobicContact CB-CG 4.37Å; N671-E698 WeakPolarHBondContact CB-OE1 3.27Å; N671-E698 PolarHBondContact ND2-OE1 3.27Å; N671-E698 PolarHBondContact ND2-OE2 3.03Å
672	I	91.4	Very high	83	Confident	65 Å²	65	67.2 Å²	67.2	33%	0.333	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	120.3	-171.5	-54.9	-178.8	0	0	0	109.9	Q649 G669 R670 L695 E696 W697	Q649-I672 HydrophobicContact CB-CD1 4.44Å; Q649-I672 HydrophobicContact CG-CD1 3.26Å; G669-I672 WeakPolarHBondContact O-CD1 3.16Å; R670-I672 PolarHBondContact O-N 3.26Å; R670-I672 VanDerWaalsContact O-N 3.11Å; I672-L695 HydrophobicContact CG2-CD1 3.67Å; I672-E696 CarbonylContact C-O 3.56Å; I672-E696 VanDerWaalsContact CA-O 3.29Å; I672-E696 WeakPolarHBondContact CA-O 3.37Å; I672-W697 HydrophobicContact CG1-CB 3.9Å
673	K	91.2	Very high	82.9	Confident	93 Å²	93	65.2 Å²	65.2	40%	0.404	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	131.8	178.1	-57.1	158.2	-157.1	160.3	0	108.9	N671 L695 E696	N671-K673 PolarHBondContact O-N 3.37Å; K673-L695 WeakPolarHBondContact O-CA 3.39Å; K673-E696 HydrophobicContact CB-CB 4.19Å; K673-E696 WeakPolarHBondContact CE-OE1 3.4Å; K673-E696 PolarHBondContact N-O 2.98Å; K673-E696 IonicContact NZ-OE1 2.61Å; K673-E696 PolarHBondContact NZ-OE1 3.05Å; K673-E696 PolarHBondContact O-N 3.15Å
674	Y	89.8	Confident	83.2	Confident	54 Å²	54	63.1 Å²	63.1	21%	0.212	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	114.1	169.8	-159.5	-89.3	0	0	0	109.6	F642 K644 S645 Y693 Q694 L695	F642-Y674 WeakPolarHBondContact CB-OH 3.13Å; F642-Y674 AromaticContact CD2-CE2 3.77Å; F642-Y674 HydrophobicContact CD2-CE2 3.77Å; F642-Y674 HydrophobicContact CE2-CE2 4.38Å; F642-Y674 HydrophobicContact CG-CE2 4.42Å; K644-Y674 VanDerWaalsContact O-CE1 3.28Å; K644-Y674 WeakPolarHBondContact O-CE1 3.17Å; K644-Y674 PolarHBondContact O-OH 2.82Å; S645-Y674 VanDerWaalsContact O-CD1 3.29Å; S645-Y674 WeakPolarHBondContact O-CD1 3.44Å; S645-Y674 WeakPolarHBondContact O-CE1 3.38Å; Y674-Y693 AromaticContact CE1-CD1 3.91Å; Y674-Y693 HydrophobicContact CE1-CD1 3.91Å; Y674-Y693 AromaticContact CE1-CG 3.98Å; Y674-Y693 HydrophobicContact CE1-CG 3.98Å; Y674-Y693 WeakPolarHBondContact OH-CB 3.3Å; Y674-Q694 WeakPolarHBondContact CA-O 3.27Å; Y674-Q694 WeakPolarHBondContact CD2-O 3.2Å; Y674-L695 HydrophobicContact CD2-CB 3.88Å; Y674-L695 HydrophobicContact CD2-CD1 3.85Å; Y674-L695 HydrophobicContact CD2-CG 4.45Å; Y674-L695 HydrophobicContact CE2-CB 4Å
675	T	90.3	Very high	83.4	Confident	61 Å²	61	64.5 Å²	64.5	37%	0.374	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	159	-170.9	52.4	0	0	0	0	111.5	N677 Y693 Q694	T675-N677 PolarHBondContact O-N 3.24Å; T675-Y693 CarbonylContact O-C 3.54Å; T675-Y693 WeakPolarHBondContact O-CA 3.4Å; T675-Q694 PolarHBondContact N-O 2.94Å; T675-Q694 PolarHBondContact O-N 2.94Å; T675-Q694 WeakPolarHBondContact OG1-CG 3.31Å; T675-Q694 PolarHBondContact OG1-NE2 3.1Å
676	R	88.6	Confident	83	Confident	105 Å²	105	64.7 Å²	64.7	40%	0.396	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	129.4	169.3	-178.1	177.5	173.6	136.8	6.9	108.5	T678 E691 Y693	R676-T678 HydrophobicContact CG-CG2 4.39Å; R676-T678 PolarHBondContact O-N 3.02Å; R676-E691 IonicContact CZ-OE1 2.75Å; R676-E691 IonicContact NH1-OE1 3.69Å; R676-E691 PolarHBondContact NH1-OE1 3.43Å; R676-E691 IonicContact NH2-OE1 3.94Å; R676-E691 PolarHBondContact NH2-OE1 2.98Å; R676-Y693 HydrophobicContact CB-CD1 4.1Å; R676-Y693 HydrophobicContact CB-CE1 4Å; R676-Y693 HydrophobicContact CG-CE1 4.42Å
677	N	85.8	Confident	82.5	Confident	8 Å²	8	64.7 Å²	64.7	4%	0.043	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	96	171.4	-173.3	-8.1	0	0	0	108.3	I640 T675 M679 Y692 Q694	I640-N677 PolarHBondContact O-ND2 3.04Å; T675-N677 PolarHBondContact O-N 3.24Å; N677-M679 VanDerWaalsContact C-N 3.32Å; N677-M679 VanDerWaalsContact OD1-C 3.23Å; N677-M679 PolarHBondContact OD1-N 3.37Å; N677-M679 VanDerWaalsContact OD1-N 3.11Å; N677-M679 PolarHBondContact OD1-O 3.38Å; N677-Y692 PolarHBondContact N-O 3.11Å; N677-Q694 HydrophobicContact CB-CB 4.48Å
678	T	77.2	Confident	81.8	Confident	106 Å²	106	67 Å²	67	65%	0.65	35%	0.345	S	S	*	.			trans	-82.2	-14.7	176.6	53.8	0	0	0	0	112.4	R676	R676-T678 HydrophobicContact CG-CG2 4.39Å; R676-T678 PolarHBondContact O-N 3.02Å
679	M	66.9	Low	81.1	Confident	121 Å²	121	72.6 Å²	72.6	60%	0.596	37%	0.374	S	S	*	.			trans	-110.4	67.9	-174.5	-70.6	-74.2	117.1	0	0	110.1	N677 L681	N677-M679 VanDerWaalsContact C-N 3.32Å; N677-M679 VanDerWaalsContact OD1-C 3.23Å; N677-M679 PolarHBondContact OD1-N 3.37Å; N677-M679 VanDerWaalsContact OD1-N 3.11Å; N677-M679 PolarHBondContact OD1-O 3.38Å; M679-L681 PolarHBondContact O-N 2.83Å; M679-L681 HydrophobicContact SD-CD1 4.44Å
680	N	63.9	Low	80.4	Confident	28 Å²	28	72.7 Å²	72.7	15%	0.15	38%	0.376	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	29.9	174.2	-79.7	-9.6	0	0	0	114.5	T688 G690	N680-T688 PolarHBondContact ND2-O 2.96Å; N680-T688 VanDerWaalsContact ND2-O 3.08Å; N680-G690 PolarHBondContact ND2-O 3.42Å
681	L	58.3	Low	79.9	Confident	142 Å²	142	70 Å²	70	74%	0.743	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.4	-12.5	-164.2	-61	174.8	0	0	0	113	M679	M679-L681 PolarHBondContact O-N 2.83Å; M679-L681 HydrophobicContact SD-CD1 4.44Å
682	S	66.4	Low	79.8	Confident	52 Å²	52	67.1 Å²	67.1	36%	0.364	35%	0.35	S	S	.	.	S	Bend	trans	-72.6	-45.3	-179.7	77.3	0	0	0	0	112.2	R598 E606	R598-S682 VanDerWaalsContact CZ-O 3.23Å; R598-S682 PolarHBondContact NH1-O 3.43Å; R598-S682 PolarHBondContact NH2-O 2.81Å; R598-S682 PolarHBondContact NH2-OG 2.84Å; E606-S682 VanDerWaalsContact OE2-CB 3.29Å; E606-S682 WeakPolarHBondContact OE2-CB 3.39Å; E606-S682 PolarHBondContact OE2-OG 3.33Å
683	N	77.3	Confident	79.8	Confident	6 Å²	6	66.2 Å²	66.2	3%	0.032	34%	0.343	C	S	.	.			trans	-120.1	123.5	-169.5	-163.4	-44	0	0	0	112.1	Q596 R598 E606 I640 L685 L686	Q596-N683 PolarHBondContact OE1-ND2 2.96Å; Q596-N683 VanDerWaalsContact OE1-ND2 3.12Å; R598-N683 PolarHBondContact NE-ND2 2.9Å; E606-N683 PolarHBondContact OE1-ND2 3.27Å; I640-N683 HydrophobicContact CD1-CB 3.62Å; N683-L685 PolarHBondContact O-N 3.39Å; N683-L685 WeakPolarHBondContact OD1-CB 3.31Å; N683-L685 PolarHBondContact OD1-N 2.82Å; N683-L685 VanDerWaalsContact OD1-N 3.09Å; N683-L686 PolarHBondContact O-N 2.79Å
684	H	81.3	Confident	79.8	Confident	95 Å²	95	63.6 Å²	63.6	44%	0.44	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-6.8	-174.7	67.6	-98.2	0	0	0	114.7	W475	W475-H684 AromaticContact CH2-CE1 3.62Å; W475-H684 AromaticContact CH2-CG 3.96Å; W475-H684 AromaticContact CH2-ND1 3.57Å; W475-H684 AromaticContact CZ2-CE1 3.79Å; W475-H684 AromaticContact CZ2-NE2 3.77Å
685	L	83.7	Confident	80	Confident	70 Å²	70	61.1 Å²	61.1	37%	0.366	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-7.3	176.9	-63	176.6	0	0	0	113.4	L608 N683	L608-L685 HydrophobicContact CD2-CB 3.62Å; L608-L685 HydrophobicContact CD2-CD1 3.5Å; L608-L685 HydrophobicContact CD2-CG 4.19Å; N683-L685 PolarHBondContact O-N 3.39Å; N683-L685 WeakPolarHBondContact OD1-CB 3.31Å; N683-L685 PolarHBondContact OD1-N 2.82Å; N683-L685 VanDerWaalsContact OD1-N 3.09Å
686	L	83.9	Confident	80.2	Confident	19 Å²	19	60.4 Å²	60.4	10%	0.099	32%	0.315	C	S	.	.	S	Bend	trans	-85	149.3	176.1	-65.7	-175.5	0	0	0	112.8	L608 I640 N641 N683 T688 Y692	L608-L686 HydrophobicContact CD1-CD2 3.61Å; L608-L686 HydrophobicContact CD1-CG 4.19Å; I640-L686 HydrophobicContact CD1-CD1 3.91Å; N641-L686 HydrophobicContact CB-CD2 3.63Å; N683-L686 PolarHBondContact O-N 2.79Å; L686-T688 PolarHBondContact O-N 3.5Å; L686-Y692 HydrophobicContact CB-CE2 4.03Å; L686-Y692 HydrophobicContact CD1-CD2 4.26Å; L686-Y692 HydrophobicContact CD1-CE2 4.41Å; L686-Y692 HydrophobicContact CD2-CD2 4.43Å; L686-Y692 HydrophobicContact CD2-CE1 4.2Å; L686-Y692 HydrophobicContact CD2-CE2 4Å; L686-Y692 HydrophobicContact CG-CE2 4.38Å
687	D	79.7	Confident	80.6	Confident	53 Å²	53	55.4 Å²	55.4	28%	0.283	30%	0.296	S	S	.	.			trans	-76.5	116.7	168.7	-161.3	-43.7	0	0	0	108.2	K616 N689 G690 Y692	K616-D687 IonicContact NZ-OD2 3.19Å; K616-D687 PolarHBondContact NZ-OD2 2.98Å; D687-N689 PolarHBondContact O-N 3.18Å; D687-N689 PolarHBondContact OD1-N 3.5Å; D687-N689 PolarHBondContact OD1-ND2 2.95Å; D687-G690 PolarHBondContact O-N 2.96Å; D687-Y692 PolarHBondContact N-OH 3.2Å; D687-Y692 WeakPolarHBondContact O-CE2 3.47Å
688	T	74.3	Confident	81.1	Confident	91 Å²	91	56.6 Å²	56.6	56%	0.558	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-20.3	-176.2	58.1	0	0	0	0	113.2	N680 L686	N680-T688 PolarHBondContact ND2-O 2.96Å; N680-T688 VanDerWaalsContact ND2-O 3.08Å; L686-T688 PolarHBondContact O-N 3.5Å
689	N	76.3	Confident	81.9	Confident	138 Å²	138	51.9 Å²	51.9	74%	0.738	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.4	4.8	180	-38.7	-84.8	0	0	0	113.1	D687	D687-N689 PolarHBondContact O-N 3.18Å; D687-N689 PolarHBondContact OD1-N 3.5Å; D687-N689 PolarHBondContact OD1-ND2 2.95Å
690	G	76.3	Confident	83.2	Confident	20 Å²	20	49.8 Å²	49.8	21%	0.206	26%	0.261	C	S	.	.			trans	-81.1	139.3	179.3	0	0	0	0	0	112.5	N680 D687 Y692	N680-G690 PolarHBondContact ND2-O 3.42Å; D687-G690 PolarHBondContact O-N 2.96Å; G690-Y692 PolarHBondContact O-N 3.36Å
691	E	84	Confident	84.4	Confident	54 Å²	54	48.5 Å²	48.5	25%	0.252	25%	0.254	S	S	.	.			trans	-83.9	106.5	166.3	-55.8	-163	93.8	0	0	108.3	R676 T1144	R676-E691 IonicContact CZ-OE1 2.75Å; R676-E691 IonicContact NH1-OE1 3.69Å; R676-E691 PolarHBondContact NH1-OE1 3.43Å; R676-E691 IonicContact NH2-OE1 3.94Å; R676-E691 PolarHBondContact NH2-OE1 2.98Å; E691-T1144 WeakPolarHBondContact OE2-CA 3.35Å; E691-T1144 WeakPolarHBondContact OE2-CB 3.4Å; E691-T1144 PolarHBondContact OE2-N 3.35Å; E691-T1144 PolarHBondContact OE2-OG1 3.13Å
692	Y	89	Confident	85.6	Confident	28 Å²	28	44 Å²	44	11%	0.11	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	158.2	-179.3	-65.1	-70.3	0	0	0	111.7	N641 N677 L686 D687 G690	N641-Y692 HydrophobicContact CB-CD1 4.16Å; N641-Y692 HydrophobicContact CB-CE1 4.45Å; N677-Y692 PolarHBondContact N-O 3.11Å; L686-Y692 HydrophobicContact CB-CE2 4.03Å; L686-Y692 HydrophobicContact CD1-CD2 4.26Å; L686-Y692 HydrophobicContact CD1-CE2 4.41Å; L686-Y692 HydrophobicContact CD2-CD2 4.43Å; L686-Y692 HydrophobicContact CD2-CE1 4.2Å; L686-Y692 HydrophobicContact CD2-CE2 4Å; L686-Y692 HydrophobicContact CG-CE2 4.38Å; D687-Y692 PolarHBondContact N-OH 3.2Å; D687-Y692 WeakPolarHBondContact O-CE2 3.47Å; G690-Y692 PolarHBondContact O-N 3.36Å
693	Y	91.1	Very high	86.6	Confident	46 Å²	46	42.7 Å²	42.7	18%	0.18	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	155.8	173.4	-65.9	-96.6	0	0	0	110.4	I640 N641 F642 K644 Y674 T675 R676	I640-Y693 CarbonylContact C-O 3.44Å; N641-Y693 PolarHBondContact N-O 2.78Å; F642-Y693 PolarHBondContact N-O 3.24Å; F642-Y693 PolarHBondContact O-N 3.26Å; K644-Y693 WeakPolarHBondContact O-CB 3.41Å; K644-Y693 WeakPolarHBondContact O-CD2 3.49Å; Y674-Y693 AromaticContact CE1-CD1 3.91Å; Y674-Y693 HydrophobicContact CE1-CD1 3.91Å; Y674-Y693 AromaticContact CE1-CG 3.98Å; Y674-Y693 HydrophobicContact CE1-CG 3.98Å; Y674-Y693 WeakPolarHBondContact OH-CB 3.3Å; T675-Y693 CarbonylContact O-C 3.54Å; T675-Y693 WeakPolarHBondContact O-CA 3.4Å; R676-Y693 HydrophobicContact CB-CD1 4.1Å; R676-Y693 HydrophobicContact CB-CE1 4Å; R676-Y693 HydrophobicContact CG-CE1 4.42Å
694	Q	91.9	Very high	86.9	Confident	39 Å²	39	42.9 Å²	42.9	18%	0.182	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	144.8	-179.1	65.9	-176.5	5.8	0	0	112.5	L638 I639 Y674 T675 N677	L638-Q694 HydrophobicContact CD1-CB 4.09Å; L638-Q694 HydrophobicContact CD1-CG 4.23Å; I639-Q694 CarbonylContact O-C 3.58Å; I639-Q694 WeakPolarHBondContact O-CA 3.45Å; I639-Q694 WeakPolarHBondContact O-CB 3.21Å; Y674-Q694 WeakPolarHBondContact CA-O 3.27Å; Y674-Q694 WeakPolarHBondContact CD2-O 3.2Å; T675-Q694 PolarHBondContact N-O 2.94Å; T675-Q694 PolarHBondContact O-N 2.94Å; T675-Q694 WeakPolarHBondContact OG1-CG 3.31Å; T675-Q694 PolarHBondContact OG1-NE2 3.1Å; N677-Q694 HydrophobicContact CB-CB 4.48Å
695	L	93.7	Very high	86.8	Confident	2 Å²	2	41.3 Å²	41.3	1%	0.01	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	117.6	171.6	177.3	69.8	0	0	0	108.3	L638 I639 F642 I672 K673 Y674 W697	L638-L695 CarbonylContact C-O 3.56Å; L638-L695 WeakPolarHBondContact CA-O 3.35Å; I639-L695 PolarHBondContact N-O 2.95Å; I639-L695 PolarHBondContact O-N 3.14Å; F642-L695 HydrophobicContact CD2-CB 4.02Å; F642-L695 HydrophobicContact CE2-CB 3.58Å; F642-L695 HydrophobicContact CE2-CD2 4.02Å; F642-L695 HydrophobicContact CE2-CG 4.47Å; I672-L695 HydrophobicContact CG2-CD1 3.67Å; K673-L695 WeakPolarHBondContact O-CA 3.39Å; Y674-L695 HydrophobicContact CD2-CB 3.88Å; Y674-L695 HydrophobicContact CD2-CD1 3.85Å; Y674-L695 HydrophobicContact CD2-CG 4.45Å; Y674-L695 HydrophobicContact CE2-CB 4Å; L695-W697 HydrophobicContact CD2-CE3 3.95Å; L695-W697 HydrophobicContact CD2-CZ3 3.86Å; L695-W697 HydrophobicContact CG-CE3 3.82Å; L695-W697 HydrophobicContact CG-CZ3 4.04Å
696	E	94.6	Very high	87.1	Confident	45 Å²	45	38.1 Å²	38.1	21%	0.21	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	137.2	173	-165.9	-173.3	127.7	0	0	108.8	T636 F637 L638 I672 K673	T636-E696 HydrophobicContact CG2-CG 4.37Å; F637-E696 WeakPolarHBondContact O-CA 3.41Å; L638-E696 HydrophobicContact CD1-CB 3.71Å; L638-E696 HydrophobicContact CD1-CG 4.05Å; I672-E696 CarbonylContact C-O 3.56Å; I672-E696 VanDerWaalsContact CA-O 3.29Å; I672-E696 WeakPolarHBondContact CA-O 3.37Å; K673-E696 HydrophobicContact CB-CB 4.19Å; K673-E696 WeakPolarHBondContact CE-OE1 3.4Å; K673-E696 PolarHBondContact N-O 2.98Å; K673-E696 IonicContact NZ-OE1 2.61Å; K673-E696 PolarHBondContact NZ-OE1 3.05Å; K673-E696 PolarHBondContact O-N 3.15Å
697	W	96.4	Very high	87.3	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	153.8	167.8	71.9	99.9	0	0	0	112.2	T636 F637 I639 P650 I672 L695 L710	T636-W697 WeakPolarHBondContact CA-O 3.39Å; F637-W697 HydrophobicContact CB-CD2 3.82Å; F637-W697 VanDerWaalsContact CB-CE2 3.5Å; F637-W697 HydrophobicContact CB-CE3 3.97Å; F637-W697 HydrophobicContact CB-CH2 3.6Å; F637-W697 HydrophobicContact CB-CZ2 3.4Å; F637-W697 HydrophobicContact CB-CZ3 3.87Å; F637-W697 HydrophobicContact CD1-CZ2 4.47Å; F637-W697 AromaticContact CD2-CE2 3.99Å; F637-W697 HydrophobicContact CD2-CZ2 4.24Å; F637-W697 AromaticContact CD2-NE1 3.69Å; F637-W697 AromaticContact CG-CE2 3.96Å; F637-W697 HydrophobicContact CG-CH2 4.41Å; F637-W697 AromaticContact CG-CZ2 3.82Å; F637-W697 HydrophobicContact CG-CZ2 3.82Å; F637-W697 PolarHBondContact N-O 2.86Å; F637-W697 PolarHBondContact O-N 2.98Å; I639-W697 HydrophobicContact CD1-CH2 3.74Å; I639-W697 HydrophobicContact CD1-CZ3 3.87Å; I639-W697 HydrophobicContact CG1-CH2 4.01Å; I639-W697 HydrophobicContact CG1-CZ3 3.95Å; P650-W697 HydrophobicContact CB-CZ2 4.46Å; P650-W697 HydrophobicContact CG-CD2 4.13Å; P650-W697 HydrophobicContact CG-CG 4.11Å; I672-W697 HydrophobicContact CG1-CB 3.9Å; L695-W697 HydrophobicContact CD2-CE3 3.95Å; L695-W697 HydrophobicContact CD2-CZ3 3.86Å; L695-W697 HydrophobicContact CG-CE3 3.82Å; L695-W697 HydrophobicContact CG-CZ3 4.04Å; W697-L710 HydrophobicContact CZ2-CD1 4.1Å
698	E	96.9	Very high	88	Confident	33 Å²	33	36.9 Å²	36.9	15%	0.154	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	140.6	168.6	-72.9	166.4	-145.6	0	0	110	I634 Y635 T636 G669 R670 N671	I634-E698 HydrophobicContact CG2-CB 3.87Å; I634-E698 HydrophobicContact CG2-CG 4Å; Y635-E698 CarbonylContact O-C 3.54Å; Y635-E698 WeakPolarHBondContact O-CA 3.45Å; T636-E698 HydrophobicContact CG2-CG 4.45Å; G669-E698 CarbonylContact C-O 3.55Å; G669-E698 VanDerWaalsContact CA-O 3.31Å; G669-E698 WeakPolarHBondContact CA-O 3.05Å; R670-E698 HydrophobicContact CG-CB 3.9Å; R670-E698 IonicContact CZ-OE2 2.71Å; R670-E698 PolarHBondContact N-O 3.5Å; R670-E698 IonicContact NH1-OE2 3.55Å; R670-E698 PolarHBondContact NH1-OE2 3.34Å; R670-E698 PolarHBondContact O-N 3.33Å; N671-E698 HydrophobicContact CB-CG 4.37Å; N671-E698 WeakPolarHBondContact CB-OE1 3.27Å; N671-E698 PolarHBondContact ND2-OE1 3.27Å; N671-E698 PolarHBondContact ND2-OE2 3.03Å
699	M	94.8	Very high	89	Confident	7 Å²	7	33.2 Å²	33.2	3%	0.034	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	157.8	168.7	58.7	175.4	-71.7	0	0	111.6	Y635 F637 L652 V668 F701 L710	Y635-M699 PolarHBondContact N-O 3.3Å; Y635-M699 PolarHBondContact O-N 3.32Å; F637-M699 HydrophobicContact CD2-CG 3.88Å; F637-M699 HydrophobicContact CD2-SD 4.19Å; F637-M699 HydrophobicContact CE2-CG 3.53Å; F637-M699 HydrophobicContact CE2-SD 3.79Å; L652-M699 HydrophobicContact CD1-CE 4.33Å; L652-M699 HydrophobicContact CD2-CE 3.96Å; V668-M699 HydrophobicContact CG2-CE 4.13Å; V668-M699 HydrophobicContact CG2-SD 4Å; M699-F701 HydrophobicContact CE-CD1 3.78Å; M699-F701 HydrophobicContact CE-CE1 3.38Å; M699-F701 HydrophobicContact CE-CE2 4.2Å; M699-F701 HydrophobicContact CE-CG 4.35Å; M699-F701 HydrophobicContact CE-CZ 3.61Å; M699-F701 HydrophobicContact SD-CZ 4.27Å; M699-L710 HydrophobicContact CE-CD2 4.3Å; M699-L710 HydrophobicContact SD-CD1 4.05Å; M699-L710 HydrophobicContact SD-CD2 4.03Å
700	E	92.8	Very high	89.9	Confident	77 Å²	77	26.6 Å²	26.6	36%	0.36	13%	0.134	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	146.2	172.4	-175.5	165.6	163.6	0	0	107.8	R530 G632	R530-E700 IonicContact NH2-OE1 2.71Å; G632-E700 WeakPolarHBondContact CA-OE1 3.24Å
701	F	90.9	Very high	90.8	Very high	1 Å²	1	25.7 Å²	25.7	0%	0.004	12%	0.124	C	C	.	.			trans	-101.3	135.5	174	-65.6	-84.4	0	0	0	109.3	L583 I626 I629 P631 Y635 F637 L652 M699 C708	L583-F701 HydrophobicContact CD1-CE2 4.27Å; I626-F701 HydrophobicContact CD1-CE1 4.49Å; I626-F701 HydrophobicContact CD1-CZ 3.83Å; I626-F701 HydrophobicContact CG2-CE1 4.47Å; I626-F701 HydrophobicContact CG2-CZ 4.06Å; I629-F701 HydrophobicContact CD1-CB 4.37Å; I629-F701 HydrophobicContact CD1-CD1 3.81Å; I629-F701 HydrophobicContact CD1-CE1 4.19Å; I629-F701 HydrophobicContact CD1-CG 4.02Å; I629-F701 HydrophobicContact CG1-CD1 4.41Å; I629-F701 HydrophobicContact CG1-CD2 4.29Å; I629-F701 HydrophobicContact CG1-CG 4.19Å; I629-F701 HydrophobicContact CG2-CB 3.36Å; I629-F701 HydrophobicContact CG2-CD2 4.08Å; I629-F701 HydrophobicContact CG2-CG 3.83Å; P631-F701 WeakPolarHBondContact CA-O 3.26Å; Y635-F701 AromaticContact CD2-CD2 3.6Å; Y635-F701 HydrophobicContact CD2-CD2 3.6Å; Y635-F701 AromaticContact CD2-CE2 3.84Å; Y635-F701 HydrophobicContact CD2-CE2 3.84Å; Y635-F701 AromaticContact CE2-CD2 3.78Å; Y635-F701 HydrophobicContact CE2-CD2 3.78Å; Y635-F701 HydrophobicContact CE2-CE2 4.26Å; Y635-F701 HydrophobicContact CG-CD2 4.23Å; Y635-F701 AromaticContact CG-CE2 3.98Å; Y635-F701 HydrophobicContact CG-CE2 3.98Å; F637-F701 HydrophobicContact CE2-CE2 4.23Å; F637-F701 HydrophobicContact CE2-CZ 4.29Å; F637-F701 AromaticContact CZ-CE2 3.92Å; F637-F701 HydrophobicContact CZ-CE2 3.92Å; F637-F701 AromaticContact CZ-CZ 3.88Å; F637-F701 HydrophobicContact CZ-CZ 3.88Å; L652-F701 HydrophobicContact CD1-CD1 4.49Å; L652-F701 HydrophobicContact CD1-CE1 4.09Å; M699-F701 HydrophobicContact CE-CD1 3.78Å; M699-F701 HydrophobicContact CE-CE1 3.38Å; M699-F701 HydrophobicContact CE-CE2 4.2Å; M699-F701 HydrophobicContact CE-CG 4.35Å; M699-F701 HydrophobicContact CE-CZ 3.61Å; M699-F701 HydrophobicContact SD-CZ 4.27Å; F701-C708 HydrophobicContact CD1-CB 4.27Å; F701-C708 HydrophobicContact CE1-CB 3.92Å
702	P	82.1	Confident	91.3	Very high	49 Å²	49	23.1 Å²	23.1	32%	0.318	11%	0.113	S	C	.	.	S	Bend	trans	-74.2	-32	-174.2	24.4	-31.3	0	0	0	114.5
703	Y	87.4	Confident	91.4	Very high	24 Å²	24	21.9 Å²	21.9	9%	0.094	11%	0.108	C	C	.	.	S	Bend	trans	-124.5	142.8	-168.4	-53.6	-70.9	0	0	0	113.1	I629 I656 N657 Q660 N661	I629-Y703 VanDerWaalsContact CG2-O 3.26Å; I629-Y703 WeakPolarHBondContact CG2-O 3.39Å; I656-Y703 HydrophobicContact CB-CD2 3.66Å; I656-Y703 HydrophobicContact CB-CE2 4.18Å; I656-Y703 HydrophobicContact CB-CG 3.89Å; I656-Y703 HydrophobicContact CD1-CG 4.47Å; I656-Y703 HydrophobicContact CG2-CD1 3.68Å; I656-Y703 HydrophobicContact CG2-CD2 3.6Å; I656-Y703 HydrophobicContact CG2-CE1 3.89Å; I656-Y703 HydrophobicContact CG2-CE2 3.86Å; I656-Y703 HydrophobicContact CG2-CG 3.52Å; N657-Y703 HydrophobicContact CB-CE2 3.87Å; Q660-Y703 PolarHBondContact OE1-OH 3.24Å; N661-Y703 PolarHBondContact ND2-OH 2.98Å; N661-Y703 VanDerWaalsContact ND2-OH 3.14Å
704	S	83.2	Confident	91.6	Very high	9 Å²	9	19.8 Å²	19.8	6%	0.063	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	158.3	165.1	61.6	0	0	0	0	111.9	I519 D521 D706	I519-S704 PolarHBondContact O-OG 3.42Å; I519-S704 VanDerWaalsContact O-OG 3.09Å; D521-S704 WeakPolarHBondContact OD1-CB 3.48Å; D521-S704 PolarHBondContact OD1-N 3.31Å; D521-S704 PolarHBondContact OD1-OG 2.95Å; S704-D706 PolarHBondContact O-N 2.82Å
705	N	80.9	Confident	91.7	Very high	63 Å²	63	18 Å²	18	34%	0.337	9%	0.091	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.4	4.2	177.4	-64.9	-43.6	0	0	0	117.3	P517	P517-N705 PolarHBondContact O-ND2 3.42Å; P517-N705 VanDerWaalsContact O-ND2 3.08Å
706	D	88	Confident	91.8	Very high	3 Å²	3	18.1 Å²	18.1	2%	0.016	9%	0.092	C	C	.	.			trans	-67.1	158	-175.7	-165.1	13.9	0	0	0	113.8	I629 S654 K655 I656 S704 C708	I629-D706 HydrophobicContact CD1-CB 4.26Å; S654-D706 WeakPolarHBondContact CB-OD2 3.48Å; S654-D706 PolarHBondContact OG-OD2 3.35Å; K655-D706 WeakPolarHBondContact CB-OD1 3.4Å; K655-D706 PolarHBondContact N-OD1 2.72Å; I656-D706 HydrophobicContact CD1-CB 3.9Å; I656-D706 HydrophobicContact CG1-CB 4.25Å; I656-D706 PolarHBondContact N-OD1 3.29Å; S704-D706 PolarHBondContact O-N 2.82Å; D706-C708 PolarHBondContact OD2-SG 3.21Å
707	I	89.5	Confident	91.6	Very high	46 Å²	46	16 Å²	16	24%	0.236	8%	0.082	C	C	.	.			trans	-108.1	91.1	171.2	-50.7	-173.6	0	0	0	108.3	R625 Q627 K655 Y709	R625-I707 HydrophobicContact CG-CG2 3.73Å; Q627-I707 HydrophobicContact CG-CB 4.46Å; Q627-I707 HydrophobicContact CG-CG1 4.24Å; Q627-I707 HydrophobicContact CG-CG2 4.17Å; K655-I707 HydrophobicContact CB-CB 4.4Å; K655-I707 PolarHBondContact N-O 2.98Å; I707-Y709 HydrophobicContact CG2-CE2 3.77Å
708	C	93.3	Very high	91.1	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	153.7	178.3	-75.9	0	0	0	0	111.9	R625 I626 I629 L652 Y653 F701 D706	R625-C708 CarbonylContact C-O 3.59Å; R625-C708 VanDerWaalsContact CA-O 3.31Å; R625-C708 WeakPolarHBondContact CA-O 3.49Å; R625-C708 WeakPolarHBondContact CG-O 3.45Å; I626-C708 HydrophobicContact CB-CB 4.22Å; I626-C708 PolarHBondContact N-O 3.46Å; I626-C708 PolarHBondContact O-N 2.86Å; I629-C708 HydrophobicContact CD1-CB 3.95Å; I629-C708 VanDerWaalsContact CD1-SG 3.5Å; L652-C708 HydrophobicContact CD1-CB 3.74Å; Y653-C708 CarbonylContact O-C 3.56Å; Y653-C708 VanDerWaalsContact O-CA 3.26Å; Y653-C708 WeakPolarHBondContact O-CA 3.3Å; F701-C708 HydrophobicContact CD1-CB 4.27Å; F701-C708 HydrophobicContact CE1-CB 3.92Å; D706-C708 PolarHBondContact OD2-SG 3.21Å
709	Y	95	Very high	90.4	Very high	13 Å²	13	17.3 Å²	17.3	5%	0.051	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	134.5	168.6	-68.6	-107.1	0	0	0	110.2	L498 F589 F623 F624 R625 L652 Y653 I707	L498-Y709 HydrophobicContact CD1-CE2 3.61Å; F589-Y709 HydrophobicContact CE1-CE1 4.06Å; F589-Y709 HydrophobicContact CE2-CD1 4.41Å; F589-Y709 HydrophobicContact CE2-CE1 4.22Å; F589-Y709 AromaticContact CZ-CD1 3.9Å; F589-Y709 HydrophobicContact CZ-CD1 3.9Å; F589-Y709 AromaticContact CZ-CE1 3.74Å; F589-Y709 HydrophobicContact CZ-CE1 3.74Å; F623-Y709 HydrophobicContact CD2-CD1 4.46Å; F623-Y709 AromaticContact CE2-CD1 3.66Å; F623-Y709 HydrophobicContact CE2-CD1 3.66Å; F623-Y709 HydrophobicContact CE2-CG 4.25Å; F623-Y709 HydrophobicContact CZ-CD1 4.16Å; F624-Y709 CarbonylContact O-C 3.59Å; F624-Y709 VanDerWaalsContact O-CA 3.3Å; F624-Y709 WeakPolarHBondContact O-CA 3.47Å; R625-Y709 HydrophobicContact CB-CD1 3.93Å; R625-Y709 HydrophobicContact CB-CE1 3.76Å; R625-Y709 HydrophobicContact CB-CG 4.46Å; R625-Y709 WeakPolarHBondContact CD-OH 3.38Å; R625-Y709 HydrophobicContact CG-CD1 4.22Å; R625-Y709 HydrophobicContact CG-CD2 4.27Å; R625-Y709 HydrophobicContact CG-CE1 3.87Å; R625-Y709 HydrophobicContact CG-CE2 3.9Å; R625-Y709 HydrophobicContact CG-CG 4.42Å; L652-Y709 WeakPolarHBondContact CA-O 3.39Å; Y653-Y709 HydrophobicContact CD1-CD2 4.09Å; Y653-Y709 PolarHBondContact N-O 2.82Å; Y653-Y709 PolarHBondContact O-N 2.85Å; I707-Y709 HydrophobicContact CG2-CE2 3.77Å
710	L	95.9	Very high	90.1	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	134.1	173.4	-68.1	179.1	0	0	0	110.8	F623 F624 I626 L651 L652 V668 W697 M699	F623-L710 VanDerWaalsContact CA-O 3.32Å; F623-L710 WeakPolarHBondContact CA-O 3.42Å; F624-L710 HydrophobicContact CD2-CB 4.36Å; F624-L710 HydrophobicContact CE1-CB 4.35Å; F624-L710 HydrophobicContact CE2-CB 3.85Å; F624-L710 HydrophobicContact CE2-CD1 3.93Å; F624-L710 HydrophobicContact CE2-CG 4.36Å; F624-L710 HydrophobicContact CZ-CB 3.82Å; F624-L710 HydrophobicContact CZ-CD1 4.09Å; F624-L710 PolarHBondContact N-O 3.31Å; F624-L710 PolarHBondContact O-N 3.38Å; I626-L710 HydrophobicContact CD1-CD1 3.61Å; I626-L710 HydrophobicContact CD1-CG 4.17Å; L651-L710 VanDerWaalsContact O-CA 3.29Å; L651-L710 WeakPolarHBondContact O-CA 3.36Å; L651-L710 WeakPolarHBondContact O-CD2 3.49Å; L652-L710 HydrophobicContact CB-CD2 3.92Å; L652-L710 HydrophobicContact CD1-CD2 3.74Å; L652-L710 HydrophobicContact CD1-CG 4.45Å; L652-L710 HydrophobicContact CG-CD2 4.44Å; V668-L710 HydrophobicContact CG2-CD2 4.31Å; W697-L710 HydrophobicContact CZ2-CD1 4.1Å; M699-L710 HydrophobicContact CE-CD2 4.3Å; M699-L710 HydrophobicContact SD-CD1 4.05Å; M699-L710 HydrophobicContact SD-CD2 4.03Å
711	A	95.4	Very high	90	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	151.7	-175.5	0	0	0	0	0	113.7	Y622 F623 L651 W665 P715	Y622-A711 WeakPolarHBondContact CE2-O 3.47Å; Y622-A711 WeakPolarHBondContact O-CA 3.35Å; F623-A711 HydrophobicContact CD2-CB 3.98Å; L651-A711 PolarHBondContact N-O 3.5Å; L651-A711 PolarHBondContact O-N 2.69Å; W665-A711 HydrophobicContact CH2-CB 3.93Å; W665-A711 HydrophobicContact CZ3-CB 3.82Å; A711-P715 HydrophobicContact CB-CG 3.77Å
712	Y	93.5	Very high	89.7	Confident	1 Å²	1	17.4 Å²	17.4	0%	0.004	9%	0.09	C	C	.	.	S	Bend	trans	-68.8	-34.3	176	177.4	-109.6	0	0	0	113.3	Q620 W621 Y622 L648 Y818 S868 F949	Q620-Y712 HydrophobicContact CG-CE1 4.16Å; Q620-Y712 HydrophobicContact CG-CE2 3.96Å; W621-Y712 HydrophobicContact CE3-CD1 4.08Å; W621-Y712 HydrophobicContact CZ3-CD1 4.4Å; Y622-Y712 HydrophobicContact CD1-CD2 4.26Å; Y622-Y712 HydrophobicContact CD1-CG 4.45Å; Y622-Y712 AromaticContact CE1-CD2 3.79Å; Y622-Y712 HydrophobicContact CE1-CD2 3.79Å; Y622-Y712 HydrophobicContact CE1-CG 4.27Å; Y622-Y712 PolarHBondContact O-N 2.79Å; L648-Y712 HydrophobicContact CD1-CE1 4.24Å; L648-Y712 HydrophobicContact CD1-CE2 3.91Å; L648-Y712 HydrophobicContact CG-CE2 4.2Å; Y712-Y818 HydrophobicContact CE1-CE2 4.27Å; Y712-S868 WeakPolarHBondContact OH-CB 3.41Å; Y712-F949 HydrophobicContact CD1-CE1 4.41Å; Y712-F949 HydrophobicContact CE1-CD1 4.29Å; Y712-F949 HydrophobicContact CE1-CD2 4.36Å; Y712-F949 HydrophobicContact CE1-CE1 4.05Å; Y712-F949 HydrophobicContact CE1-CE2 4.15Å; Y712-F949 HydrophobicContact CE1-CG 4.41Å; Y712-F949 AromaticContact CE1-CZ 3.95Å; Y712-F949 HydrophobicContact CE1-CZ 3.95Å
713	S	92.5	Very high	89.9	Confident	1 Å²	1	18.3 Å²	18.3	1%	0.007	9%	0.089	C	C	.	.	S	Bend	trans	-159.6	168.4	172.3	-165.2	0	0	0	0	108.9	L651 P715	L651-S713 VanDerWaalsContact CD1-C 3.47Å; S713-P715 WeakPolarHBondContact O-CD 3.37Å
714	Y	94	Very high	90	Very high	3 Å²	3	17.9 Å²	17.9	1%	0.012	9%	0.088	C	C	.	.			trans	-50.7	109.7	-175.9	-54.5	-79.9	0	0	0	110.6	L651 W665 R667 T773 W777 F962 V964 F967	L651-Y714 HydrophobicContact CD1-CD1 3.6Å; L651-Y714 HydrophobicContact CD1-CD2 3.99Å; L651-Y714 HydrophobicContact CD1-CE1 3.7Å; L651-Y714 HydrophobicContact CD1-CE2 4.06Å; L651-Y714 HydrophobicContact CD1-CG 3.74Å; L651-Y714 HydrophobicContact CD2-CD1 4.34Å; L651-Y714 HydrophobicContact CD2-CE1 3.66Å; L651-Y714 HydrophobicContact CG-CE1 4.37Å; W665-Y714 HydrophobicContact CB-CD1 3.7Å; W665-Y714 HydrophobicContact CB-CE1 3.68Å; W665-Y714 AromaticContact CG-CD1 3.95Å; W665-Y714 HydrophobicContact CG-CD1 3.95Å; W665-Y714 HydrophobicContact CG-CE1 4.43Å; R667-Y714 PolarHBondContact NE-OH 3.47Å; Y714-T773 WeakPolarHBondContact O-CB 3.27Å; Y714-T773 PolarHBondContact O-OG1 3.39Å; Y714-W777 PolarHBondContact O-NE1 3.38Å; Y714-F962 PolarHBondContact OH-O 2.89Å; Y714-V964 HydrophobicContact CD1-CG2 3.62Å; Y714-V964 HydrophobicContact CD2-CG2 4.31Å; Y714-V964 HydrophobicContact CE1-CG2 4.2Å; Y714-V964 HydrophobicContact CG-CG2 3.7Å; Y714-F967 HydrophobicContact CD2-CE2 4.17Å; Y714-F967 HydrophobicContact CE2-CE2 4.32Å
715	P	94.8	Very high	90	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	9%	0.094	C	C	.	.			trans	-65.9	134.5	-172.8	-23.8	35.8	0	0	0	112.1	Y502 W621 F623 W665 A711 S713	Y502-P715 PolarHBondContact OH-O 2.69Å; Y502-P715 VanDerWaalsContact OH-O 3.12Å; W621-P715 HydrophobicContact CH2-CB 4.43Å; W621-P715 HydrophobicContact CH2-CG 4.44Å; F623-P715 HydrophobicContact CD1-CB 4.19Å; F623-P715 HydrophobicContact CD1-CG 4.29Å; F623-P715 HydrophobicContact CD2-CG 3.99Å; F623-P715 HydrophobicContact CE1-CB 3.86Å; F623-P715 HydrophobicContact CE1-CG 4.12Å; F623-P715 HydrophobicContact CE2-CB 4.41Å; F623-P715 HydrophobicContact CE2-CG 3.8Å; F623-P715 HydrophobicContact CG-CG 4.25Å; F623-P715 HydrophobicContact CZ-CB 3.98Å; F623-P715 HydrophobicContact CZ-CG 3.87Å; W665-P715 HydrophobicContact CH2-CG 3.72Å; W665-P715 HydrophobicContact CZ2-CG 3.58Å; A711-P715 HydrophobicContact CB-CG 3.77Å; S713-P715 WeakPolarHBondContact O-CD 3.37Å
716	Y	95	Very high	90.2	Very high	6 Å²	6	20.7 Å²	20.7	2%	0.024	10%	0.102	C	C	.	.			trans	-129	101.2	171.3	-169.4	-83.2	0	0	0	108.8	N720 L721 D724 R767 S776 W777 L780 M807	Y716-N720 HydrophobicContact CD2-CB 4.4Å; Y716-N720 HydrophobicContact CE2-CB 4.27Å; Y716-L721 HydrophobicContact CE1-CB 3.82Å; Y716-L721 HydrophobicContact CE1-CD1 3.92Å; Y716-L721 HydrophobicContact CE1-CG 4.46Å; Y716-L721 WeakPolarHBondContact OH-CA 3.41Å; Y716-L721 WeakPolarHBondContact OH-CD1 3.5Å; Y716-D724 WeakPolarHBondContact CE2-OD2 3.32Å; Y716-D724 PolarHBondContact OH-OD2 2.89Å; Y716-R767 PolarHBondContact O-NH2 2.6Å; Y716-S776 WeakPolarHBondContact CD1-OG 3.18Å; Y716-S776 WeakPolarHBondContact CE1-OG 3.46Å; Y716-W777 AromaticContact CD2-CD2 3.97Å; Y716-W777 HydrophobicContact CD2-CD2 3.97Å; Y716-W777 AromaticContact CD2-CE2 3.73Å; Y716-W777 HydrophobicContact CD2-CE3 4.05Å; Y716-W777 AromaticContact CD2-CH2 3.64Å; Y716-W777 HydrophobicContact CD2-CH2 3.64Å; Y716-W777 AromaticContact CD2-CZ2 3.57Å; Y716-W777 HydrophobicContact CD2-CZ2 3.57Å; Y716-W777 AromaticContact CD2-CZ3 3.9Å; Y716-W777 HydrophobicContact CD2-CZ3 3.9Å; Y716-W777 HydrophobicContact CE2-CE3 4.32Å; Y716-W777 HydrophobicContact CE2-CH2 4.14Å; Y716-W777 HydrophobicContact CE2-CZ2 4.49Å; Y716-W777 HydrophobicContact CE2-CZ3 4.06Å; Y716-W777 HydrophobicContact CG-CZ2 4.39Å; Y716-L780 HydrophobicContact CE2-CD2 4.27Å; Y716-M807 HydrophobicContact CD1-CE 3.91Å; Y716-M807 HydrophobicContact CE1-CE 4.15Å
717	T	90.2	Very high	90.1	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.113	C	C	.	.			trans	-85.5	170.4	-176	86.6	0	0	0	0	112	T497 E590 T719 N720 L721	T497-T717 HydrophobicContact CG2-CG2 4.09Å; E590-T717 VanDerWaalsContact CD-CB 3.42Å; E590-T717 WeakPolarHBondContact OE1-CB 3.45Å; E590-T717 VanDerWaalsContact OE2-CB 3.25Å; E590-T717 WeakPolarHBondContact OE2-CB 3.44Å; E590-T717 PolarHBondContact OE2-OG1 3.21Å; T717-T719 VanDerWaalsContact C-N 3.29Å; T717-T719 WeakPolarHBondContact OG1-CB 3.24Å; T717-T719 PolarHBondContact OG1-N 3.42Å; T717-T719 VanDerWaalsContact OG1-N 3.13Å; T717-N720 PolarHBondContact N-OD1 3Å; T717-N720 PolarHBondContact O-N 3.1Å; T717-N720 PolarHBondContact OG1-N 3.34Å; T717-N720 VanDerWaalsContact OG1-N 3.14Å; T717-N720 PolarHBondContact OG1-OD1 3.15Å; T717-L721 PolarHBondContact O-N 3.08Å; T717-L721 VanDerWaalsContact O-N 3.08Å
718	Y	86.2	Confident	89.9	Confident	19 Å²	19	21.3 Å²	21.3	8%	0.075	10%	0.104	C	C	.	.	H	α-helix	trans	-75.8	-19.8	172.3	162.9	-111.1	0	0	0	111.5	Q122 E590 L721 K722 M807 P810 I814	Q122-Y718 PolarHBondContact OE1-OH 3.48Å; E590-Y718 VanDerWaalsContact OE1-CA 3.24Å; E590-Y718 WeakPolarHBondContact OE1-CA 3.34Å; E590-Y718 WeakPolarHBondContact OE1-CB 3.41Å; E590-Y718 PolarHBondContact OE1-N 3.34Å; Y718-L721 HydrophobicContact CD2-CD2 4.31Å; Y718-K722 VanDerWaalsContact CE1-NZ 3.31Å; Y718-K722 WeakPolarHBondContact O-CG 3.16Å; Y718-K722 PolarHBondContact O-N 3.46Å; Y718-K722 VanDerWaalsContact OH-CE 3.29Å; Y718-K722 WeakPolarHBondContact OH-CE 3.43Å; Y718-M807 HydrophobicContact CD2-SD 4.34Å; Y718-M807 HydrophobicContact CG-SD 4.48Å; Y718-P810 HydrophobicContact CD2-CB 3.91Å; Y718-P810 HydrophobicContact CE2-CB 4.29Å; Y718-P810 HydrophobicContact CG-CB 4.22Å; Y718-I814 HydrophobicContact CD1-CD1 3.67Å; Y718-I814 HydrophobicContact CD1-CG1 3.97Å; Y718-I814 HydrophobicContact CE1-CD1 4Å; Y718-I814 HydrophobicContact CG-CD1 4.47Å
719	T	83.5	Confident	89.3	Confident	41 Å²	41	22.1 Å²	22.1	25%	0.252	11%	0.109	S	C	.	.	H	α-helix	trans	-66.9	-46.9	162.9	-56.5	0	0	0	0	112	E590 T717 L721 K722 F723	E590-T719 PolarHBondContact OE1-N 3.13Å; E590-T719 WeakPolarHBondContact OE2-CB 3.28Å; E590-T719 PolarHBondContact OE2-N 2.83Å; E590-T719 PolarHBondContact OE2-OG1 3.19Å; T717-T719 VanDerWaalsContact C-N 3.29Å; T717-T719 WeakPolarHBondContact OG1-CB 3.24Å; T717-T719 PolarHBondContact OG1-N 3.42Å; T717-T719 VanDerWaalsContact OG1-N 3.13Å; T719-L721 VanDerWaalsContact C-N 3.28Å; T719-L721 PolarHBondContact O-N 2.91Å; T719-K722 PolarHBondContact O-N 2.98Å; T719-K722 VanDerWaalsContact O-N 3.15Å; T719-F723 PolarHBondContact O-N 3.49Å
720	N	88.2	Confident	88.8	Confident	14 Å²	14	26.4 Å²	26.4	8%	0.075	13%	0.131	C	C	.	.	H	α-helix	trans	-56.2	-45.8	173.3	-59.9	119.4	0	0	0	110.7	Y716 T717 K722 F723 D724	Y716-N720 HydrophobicContact CD2-CB 4.4Å; Y716-N720 HydrophobicContact CE2-CB 4.27Å; T717-N720 PolarHBondContact N-OD1 3Å; T717-N720 PolarHBondContact O-N 3.1Å; T717-N720 PolarHBondContact OG1-N 3.34Å; T717-N720 VanDerWaalsContact OG1-N 3.14Å; T717-N720 PolarHBondContact OG1-OD1 3.15Å; N720-K722 VanDerWaalsContact C-N 3.3Å; N720-K722 PolarHBondContact O-N 3.32Å; N720-F723 WeakPolarHBondContact O-CB 3.48Å; N720-F723 PolarHBondContact O-N 3Å; N720-D724 VanDerWaalsContact O-CG 3.25Å; N720-D724 PolarHBondContact O-N 2.73Å
721	L	89.7	Confident	88	Confident	14 Å²	14	31.5 Å²	31.5	7%	0.073	15%	0.153	C	C	.	.	H	α-helix	trans	-55.2	-42	177.4	-173.6	65	0	0	0	113.9	Y716 T717 Y718 T719 I725 P806 M807	Y716-L721 HydrophobicContact CE1-CB 3.82Å; Y716-L721 HydrophobicContact CE1-CD1 3.92Å; Y716-L721 HydrophobicContact CE1-CG 4.46Å; Y716-L721 WeakPolarHBondContact OH-CA 3.41Å; Y716-L721 WeakPolarHBondContact OH-CD1 3.5Å; T717-L721 PolarHBondContact O-N 3.08Å; T717-L721 VanDerWaalsContact O-N 3.08Å; Y718-L721 HydrophobicContact CD2-CD2 4.31Å; T719-L721 VanDerWaalsContact C-N 3.28Å; T719-L721 PolarHBondContact O-N 2.91Å; L721-I725 HydrophobicContact CD1-CD1 3.82Å; L721-I725 HydrophobicContact CD1-CG1 4.24Å; L721-I725 HydrophobicContact CD2-CD1 4.49Å; L721-I725 HydrophobicContact CG-CD1 3.84Å; L721-I725 VanDerWaalsContact O-CB 3.3Å; L721-I725 WeakPolarHBondContact O-CB 3.37Å; L721-I725 VanDerWaalsContact O-CG1 3.26Å; L721-I725 WeakPolarHBondContact O-CG1 3.42Å; L721-I725 PolarHBondContact O-N 3Å; L721-I725 VanDerWaalsContact O-N 3.07Å; L721-P806 HydrophobicContact CD1-CB 3.7Å; L721-P806 HydrophobicContact CD1-CG 3.59Å; L721-P806 HydrophobicContact CD2-CG 4.31Å; L721-P806 HydrophobicContact CG-CG 4.47Å; L721-M807 HydrophobicContact CB-CE 4.3Å; L721-M807 HydrophobicContact CD2-CB 3.55Å; L721-M807 HydrophobicContact CD2-CE 4.2Å; L721-M807 HydrophobicContact CD2-CG 4.5Å; L721-M807 HydrophobicContact CD2-SD 4.24Å
722	K	85.6	Confident	87	Confident	60 Å²	60	31.7 Å²	31.7	26%	0.261	15%	0.154	S	C	.	.	H	α-helix	trans	-67.2	-39.8	177.1	-72.5	173.1	-170.9	171.2	0	111.6	Y718 T719 N720 N726	Y718-K722 VanDerWaalsContact CE1-NZ 3.31Å; Y718-K722 WeakPolarHBondContact O-CG 3.16Å; Y718-K722 PolarHBondContact O-N 3.46Å; Y718-K722 VanDerWaalsContact OH-CE 3.29Å; Y718-K722 WeakPolarHBondContact OH-CE 3.43Å; T719-K722 PolarHBondContact O-N 2.98Å; T719-K722 VanDerWaalsContact O-N 3.15Å; N720-K722 VanDerWaalsContact C-N 3.3Å; N720-K722 PolarHBondContact O-N 3.32Å; K722-N726 VanDerWaalsContact O-CB 3.28Å; K722-N726 WeakPolarHBondContact O-CB 3.21Å; K722-N726 PolarHBondContact O-N 2.96Å; K722-N726 PolarHBondContact O-ND2 3.19Å
723	F	86.2	Confident	86.2	Confident	67 Å²	67	37 Å²	37	29%	0.294	18%	0.177	S	C	.	.	H	α-helix	trans	-62	-56.3	177.3	-178.1	-90	0	0	0	110.4	Y499 I503 T719 N720 I725 N726 E727	Y499-F723 HydrophobicContact CD1-CD2 4.33Å; Y499-F723 HydrophobicContact CE1-CD2 4.05Å; I503-F723 HydrophobicContact CD1-CD2 4.33Å; I503-F723 HydrophobicContact CD1-CE1 3.93Å; I503-F723 HydrophobicContact CD1-CE2 3.63Å; I503-F723 HydrophobicContact CD1-CZ 3.4Å; I503-F723 VanDerWaalsContact CD1-CZ 3.4Å; I503-F723 HydrophobicContact CG1-CE1 3.99Å; I503-F723 HydrophobicContact CG1-CZ 3.9Å; T719-F723 PolarHBondContact O-N 3.49Å; N720-F723 WeakPolarHBondContact O-CB 3.48Å; N720-F723 PolarHBondContact O-N 3Å; F723-I725 VanDerWaalsContact C-N 3.34Å; F723-I725 PolarHBondContact O-N 3.29Å; F723-N726 WeakPolarHBondContact O-CB 3.23Å; F723-N726 PolarHBondContact O-N 2.98Å; F723-E727 HydrophobicContact CE1-CB 4.47Å; F723-E727 PolarHBondContact O-N 2.98Å
724	D	88.8	Confident	85.6	Confident	15 Å²	15	43.4 Å²	43.4	8%	0.08	21%	0.207	C	C	.	.	H	α-helix	trans	-60	-43	-177.2	-55	-16.8	0	0	0	111.9	Y716 N720 N726 E727 L728 L780	Y716-D724 WeakPolarHBondContact CE2-OD2 3.32Å; Y716-D724 PolarHBondContact OH-OD2 2.89Å; N720-D724 VanDerWaalsContact O-CG 3.25Å; N720-D724 PolarHBondContact O-N 2.73Å; D724-N726 PolarHBondContact O-N 3.31Å; D724-E727 PolarHBondContact O-N 2.64Å; D724-L728 WeakPolarHBondContact O-CB 3.48Å; D724-L728 WeakPolarHBondContact O-CD1 3.41Å; D724-L728 WeakPolarHBondContact O-CG 3.44Å; D724-L728 PolarHBondContact O-N 2.89Å; D724-L780 HydrophobicContact CB-CD1 3.77Å; D724-L780 WeakPolarHBondContact OD2-CD2 3.48Å
725	I	84.2	Confident	84.6	Confident	36 Å²	36	44.9 Å²	44.9	19%	0.185	22%	0.215	C	C	.	.	H	α-helix	trans	-63	-41.9	175.5	-72.8	176.3	0	0	0	110.9	L721 F723 L729 P806	L721-I725 HydrophobicContact CD1-CD1 3.82Å; L721-I725 HydrophobicContact CD1-CG1 4.24Å; L721-I725 HydrophobicContact CD2-CD1 4.49Å; L721-I725 HydrophobicContact CG-CD1 3.84Å; L721-I725 VanDerWaalsContact O-CB 3.3Å; L721-I725 WeakPolarHBondContact O-CB 3.37Å; L721-I725 VanDerWaalsContact O-CG1 3.26Å; L721-I725 WeakPolarHBondContact O-CG1 3.42Å; L721-I725 PolarHBondContact O-N 3Å; L721-I725 VanDerWaalsContact O-N 3.07Å; F723-I725 VanDerWaalsContact C-N 3.34Å; F723-I725 PolarHBondContact O-N 3.29Å; I725-L729 HydrophobicContact CG2-CD1 3.6Å; I725-L729 HydrophobicContact CG2-CG 4.32Å; I725-L729 VanDerWaalsContact O-CB 3.29Å; I725-L729 WeakPolarHBondContact O-CB 3.46Å; I725-L729 WeakPolarHBondContact O-CD1 3.47Å; I725-L729 WeakPolarHBondContact O-CG 3.23Å; I725-L729 PolarHBondContact O-N 3.24Å; I725-P806 HydrophobicContact CD1-CG 4.12Å
726	N	84.9	Confident	83.4	Confident	95 Å²	95	49.5 Å²	49.5	51%	0.508	24%	0.24	S	C	.	.	H	α-helix	trans	-65.4	-42.6	177.3	-73.4	-18.4	0	0	0	111.8	K722 F723 D724 L729 M730	K722-N726 VanDerWaalsContact O-CB 3.28Å; K722-N726 WeakPolarHBondContact O-CB 3.21Å; K722-N726 PolarHBondContact O-N 2.96Å; K722-N726 PolarHBondContact O-ND2 3.19Å; F723-N726 WeakPolarHBondContact O-CB 3.23Å; F723-N726 PolarHBondContact O-N 2.98Å; D724-N726 PolarHBondContact O-N 3.31Å; N726-L729 PolarHBondContact O-N 3.37Å; N726-M730 WeakPolarHBondContact O-CG 3.49Å; N726-M730 PolarHBondContact O-N 3.49Å
727	E	86	Confident	82.1	Confident	52 Å²	52	53.4 Å²	53.4	24%	0.243	26%	0.261	C	S	.	.	H	α-helix	trans	-58.8	-51.6	176.8	-169.9	-153.8	137.1	0	0	110.9	F723 D724 L729 M730 K731	F723-E727 HydrophobicContact CE1-CB 4.47Å; F723-E727 PolarHBondContact O-N 2.98Å; D724-E727 PolarHBondContact O-N 2.64Å; E727-L729 VanDerWaalsContact C-N 3.25Å; E727-L729 PolarHBondContact O-N 3.5Å; E727-M730 PolarHBondContact O-N 3.03Å; E727-M730 VanDerWaalsContact O-N 3.13Å; E727-K731 HydrophobicContact CG-CD 4.32Å; E727-K731 PolarHBondContact O-N 3.07Å; E727-K731 WeakPolarHBondContact OE1-CE 3.43Å; E727-K731 IonicContact OE1-NZ 2.75Å; E727-K731 PolarHBondContact OE1-NZ 3.15Å
728	L	84.7	Confident	81.1	Confident	10 Å²	10	53.9 Å²	53.9	5%	0.052	26%	0.263	C	S	.	.	H	α-helix	trans	-59	-36.1	176.2	-68.6	167.7	0	0	0	112.1	D724 S732 L780 L783 K784 T787	D724-L728 WeakPolarHBondContact O-CB 3.48Å; D724-L728 WeakPolarHBondContact O-CD1 3.41Å; D724-L728 WeakPolarHBondContact O-CG 3.44Å; D724-L728 PolarHBondContact O-N 2.89Å; L728-S732 WeakPolarHBondContact O-CB 3.46Å; L728-S732 PolarHBondContact O-N 3.36Å; L728-S732 PolarHBondContact O-OG 3.02Å; L728-L780 HydrophobicContact CD1-CD1 4.27Å; L728-L783 HydrophobicContact CD1-CB 3.88Å; L728-L783 HydrophobicContact CD1-CD1 4.46Å; L728-K784 HydrophobicContact CD2-CG 4.15Å; L728-T787 HydrophobicContact CB-CG2 4.45Å; L728-T787 HydrophobicContact CD2-CG2 4.01Å; L728-T787 WeakPolarHBondContact CD2-OG1 3.42Å
729	L	81.8	Confident	80.2	Confident	18 Å²	18	56.4 Å²	56.4	9%	0.094	28%	0.278	C	S	.	.	H	α-helix	trans	-74.5	-26.8	177.2	-75	166.6	0	0	0	113.9	I725 N726 E727 S732 K733 I742 C744	I725-L729 HydrophobicContact CG2-CD1 3.6Å; I725-L729 HydrophobicContact CG2-CG 4.32Å; I725-L729 VanDerWaalsContact O-CB 3.29Å; I725-L729 WeakPolarHBondContact O-CB 3.46Å; I725-L729 WeakPolarHBondContact O-CD1 3.47Å; I725-L729 WeakPolarHBondContact O-CG 3.23Å; I725-L729 PolarHBondContact O-N 3.24Å; N726-L729 PolarHBondContact O-N 3.37Å; E727-L729 VanDerWaalsContact C-N 3.25Å; E727-L729 PolarHBondContact O-N 3.5Å; L729-S732 WeakPolarHBondContact CA-OG 3.29Å; L729-S732 PolarHBondContact O-OG 2.97Å; L729-K733 WeakPolarHBondContact O-CD 3.42Å; L729-K733 WeakPolarHBondContact O-CE 3.35Å; L729-K733 VanDerWaalsContact O-CG 3.3Å; L729-K733 WeakPolarHBondContact O-CG 3.4Å; L729-I742 HydrophobicContact CD2-CG2 3.95Å; L729-C744 WeakPolarHBondContact CD1-SG 3.49Å
730	M	83	Confident	79.2	Confident	103 Å²	103	60.9 Å²	60.9	51%	0.507	29%	0.294	S	S	.	.	H	α-helix	trans	-75.7	-50.5	171.5	-62.9	-46.4	-165.8	0	0	110.1	N726 E727 S732 K733 E734	N726-M730 WeakPolarHBondContact O-CG 3.49Å; N726-M730 PolarHBondContact O-N 3.49Å; E727-M730 PolarHBondContact O-N 3.03Å; E727-M730 VanDerWaalsContact O-N 3.13Å; M730-S732 PolarHBondContact O-N 2.82Å; M730-S732 VanDerWaalsContact O-N 3.11Å; M730-K733 WeakPolarHBondContact O-CB 3.5Å; M730-K733 PolarHBondContact O-N 3.24Å; M730-K733 HydrophobicContact SD-CD 4.17Å; M730-K733 PolarHBondContact SD-NZ 3.13Å; M730-E734 PolarHBondContact O-N 3.08Å
731	K	79.2	Confident	77.8	Confident	107 Å²	107	60.8 Å²	60.8	47%	0.465	29%	0.294	S	S	.	.	H	α-helix	trans	-56.1	-30.4	174.2	-70.2	178.5	175	175.7	0	113	E727 E734	E727-K731 HydrophobicContact CG-CD 4.32Å; E727-K731 PolarHBondContact O-N 3.07Å; E727-K731 WeakPolarHBondContact OE1-CE 3.43Å; E727-K731 IonicContact OE1-NZ 2.75Å; E727-K731 PolarHBondContact OE1-NZ 3.15Å; K731-E734 WeakPolarHBondContact CA-OE2 3.44Å
732	S	75.9	Confident	76.5	Confident	3 Å²	3	60.9 Å²	60.9	2%	0.021	29%	0.294	C	S	.	.	H	α-helix	trans	-70.8	-31.6	172	69.9	0	0	0	0	114.2	L728 L729 M730 L738 N739	L728-S732 WeakPolarHBondContact O-CB 3.46Å; L728-S732 PolarHBondContact O-N 3.36Å; L728-S732 PolarHBondContact O-OG 3.02Å; L729-S732 WeakPolarHBondContact CA-OG 3.29Å; L729-S732 PolarHBondContact O-OG 2.97Å; M730-S732 PolarHBondContact O-N 2.82Å; M730-S732 VanDerWaalsContact O-N 3.11Å; S732-L738 CarbonylContact O-C 3.55Å; S732-N739 VanDerWaalsContact O-CA 3.22Å; S732-N739 WeakPolarHBondContact O-CA 3.5Å; S732-N739 VanDerWaalsContact O-CB 3.29Å; S732-N739 WeakPolarHBondContact O-CB 3.35Å; S732-N739 PolarHBondContact O-N 3.47Å
733	K	76.3	Confident	75.4	Confident	113 Å²	113	61.8 Å²	61.8	49%	0.491	30%	0.302	S	S	.	.	H	α-helix	trans	-76.7	-34	-178.4	-69.9	162.6	-167.1	164.3	0	112.7	L729 M730 N735	L729-K733 WeakPolarHBondContact O-CD 3.42Å; L729-K733 WeakPolarHBondContact O-CE 3.35Å; L729-K733 VanDerWaalsContact O-CG 3.3Å; L729-K733 WeakPolarHBondContact O-CG 3.4Å; M730-K733 WeakPolarHBondContact O-CB 3.5Å; M730-K733 PolarHBondContact O-N 3.24Å; M730-K733 HydrophobicContact SD-CD 4.17Å; M730-K733 PolarHBondContact SD-NZ 3.13Å; K733-N735 PolarHBondContact O-N 3.2Å
734	E	78.5	Confident	73.8	Confident	136 Å²	136	62 Å²	62	64%	0.636	31%	0.311	S	S	*	.	S	Bend	trans	-62.4	-21.3	176.8	-70.1	151.9	-158.3	0	0	112.5	M730 K731	M730-E734 PolarHBondContact O-N 3.08Å; K731-E734 WeakPolarHBondContact CA-OE2 3.44Å
735	N	73.2	Confident	71.8	Confident	33 Å²	33	63.9 Å²	63.9	18%	0.176	32%	0.321	C	S	.	.	S	Bend	trans	-119.8	111.8	-176.6	174.8	-23.1	0	0	0	110.6	K733 L737 L738 N739 N789	K733-N735 PolarHBondContact O-N 3.2Å; N735-L737 PolarHBondContact O-N 3.24Å; N735-L737 WeakPolarHBondContact OD1-CB 3.29Å; N735-L737 PolarHBondContact OD1-N 2.7Å; N735-L737 VanDerWaalsContact OD1-N 3.11Å; N735-L738 HydrophobicContact CB-CB 4.06Å; N735-L738 HydrophobicContact CB-CD1 3.87Å; N735-L738 HydrophobicContact CB-CG 4.05Å; N735-L738 VanDerWaalsContact ND2-CD1 3.33Å; N735-L738 WeakPolarHBondContact ND2-CD1 3.4Å; N735-L738 WeakPolarHBondContact ND2-CG 3.42Å; N735-L738 WeakPolarHBondContact O-CA 3.13Å; N735-L738 WeakPolarHBondContact O-CB 3.46Å; N735-L738 PolarHBondContact O-N 3.14Å; N735-L738 PolarHBondContact OD1-N 2.79Å; N735-N739 PolarHBondContact O-N 3.41Å; N735-N789 PolarHBondContact ND2-ND2 3.04Å; N735-N789 VanDerWaalsContact ND2-ND2 3.13Å; N735-N789 PolarHBondContact ND2-OD1 2.55Å
736	D	70.7	Confident	70.1	Confident	97 Å²	97	63.2 Å²	63.2	52%	0.519	32%	0.318	S	S	.	.	H	α-helix	trans	-64.9	-18.2	-169.6	-143.9	24.1	0	0	0	114.4	K740	D736-K740 WeakPolarHBondContact O-CD 3.49Å; D736-K740 VanDerWaalsContact O-CE 3.29Å; D736-K740 WeakPolarHBondContact O-CE 3.49Å; D736-K740 VanDerWaalsContact O-CG 3.3Å; D736-K740 WeakPolarHBondContact O-CG 3.48Å; D736-K740 WeakPolarHBondContact OD1-CE 3.43Å; D736-K740 IonicContact OD1-NZ 3.4Å; D736-K740 PolarHBondContact OD1-NZ 2.93Å; D736-K740 IonicContact OD2-NZ 2.67Å; D736-K740 PolarHBondContact OD2-NZ 3.44Å
737	L	68.5	Low	68.6	Low	89 Å²	89	59.5 Å²	59.5	47%	0.466	30%	0.298	S	S	.	.	H	α-helix	trans	-81.5	-35	171.8	-67.9	166.3	0	0	0	112.1	N735 T741	N735-L737 PolarHBondContact O-N 3.24Å; N735-L737 WeakPolarHBondContact OD1-CB 3.29Å; N735-L737 PolarHBondContact OD1-N 2.7Å; N735-L737 VanDerWaalsContact OD1-N 3.11Å; L737-T741 WeakPolarHBondContact O-CG2 3.31Å; L737-T741 PolarHBondContact O-OG1 2.94Å
738	L	68.3	Low	67	Low	10 Å²	10	57 Å²	57	5%	0.052	29%	0.287	C	S	.	.	H	α-helix	trans	-77.4	-39.9	177.2	-66.5	-177.6	0	0	0	111.6	S732 N735 K740 T741 I742 T787	S732-L738 CarbonylContact O-C 3.55Å; N735-L738 HydrophobicContact CB-CB 4.06Å; N735-L738 HydrophobicContact CB-CD1 3.87Å; N735-L738 HydrophobicContact CB-CG 4.05Å; N735-L738 VanDerWaalsContact ND2-CD1 3.33Å; N735-L738 WeakPolarHBondContact ND2-CD1 3.4Å; N735-L738 WeakPolarHBondContact ND2-CG 3.42Å; N735-L738 WeakPolarHBondContact O-CA 3.13Å; N735-L738 WeakPolarHBondContact O-CB 3.46Å; N735-L738 PolarHBondContact O-N 3.14Å; N735-L738 PolarHBondContact OD1-N 2.79Å; L738-K740 PolarHBondContact O-N 3.33Å; L738-T741 WeakPolarHBondContact CA-OG1 3.28Å; L738-T741 CarbonylContact O-C 3.3Å; L738-T741 WeakPolarHBondContact O-CA 3.21Å; L738-T741 PolarHBondContact O-N 3.06Å; L738-T741 PolarHBondContact O-OG1 3.37Å; L738-I742 HydrophobicContact CB-CD1 4.03Å; L738-I742 HydrophobicContact CD2-CD1 4.15Å; L738-I742 PolarHBondContact O-N 3.25Å; L738-T787 WeakPolarHBondContact CD1-O 3.3Å; L738-T787 WeakPolarHBondContact CD2-O 3.26Å
739	N	67.4	Low	65.6	Low	72 Å²	72	60.7 Å²	60.7	39%	0.385	30%	0.304	S	S	.	.	H	α-helix	trans	-59.3	-37.2	178.3	-163.6	11.1	0	0	0	111.4	S732 N735 T741	S732-N739 VanDerWaalsContact O-CA 3.22Å; S732-N739 WeakPolarHBondContact O-CA 3.5Å; S732-N739 VanDerWaalsContact O-CB 3.29Å; S732-N739 WeakPolarHBondContact O-CB 3.35Å; S732-N739 PolarHBondContact O-N 3.47Å; N735-N739 PolarHBondContact O-N 3.41Å; N739-T741 PolarHBondContact O-N 3.42Å
740	K	62.3	Low	64.1	Low	135 Å²	135	60.2 Å²	60.2	59%	0.587	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-0.6	176.2	-65.4	167.1	-161	156.6	0	113.4	D736 L738	D736-K740 WeakPolarHBondContact O-CD 3.49Å; D736-K740 VanDerWaalsContact O-CE 3.29Å; D736-K740 WeakPolarHBondContact O-CE 3.49Å; D736-K740 VanDerWaalsContact O-CG 3.3Å; D736-K740 WeakPolarHBondContact O-CG 3.48Å; D736-K740 WeakPolarHBondContact OD1-CE 3.43Å; D736-K740 IonicContact OD1-NZ 3.4Å; D736-K740 PolarHBondContact OD1-NZ 2.93Å; D736-K740 IonicContact OD2-NZ 2.67Å; D736-K740 PolarHBondContact OD2-NZ 3.44Å; L738-K740 PolarHBondContact O-N 3.33Å
741	T	58.6	Low	62.6	Low	12 Å²	12	61.8 Å²	61.8	7%	0.074	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-131	-6.8	-176.7	54.2	0	0	0	0	116.1	L737 L738 N739 C748 Q749 R751	L737-T741 WeakPolarHBondContact O-CG2 3.31Å; L737-T741 PolarHBondContact O-OG1 2.94Å; L738-T741 WeakPolarHBondContact CA-OG1 3.28Å; L738-T741 CarbonylContact O-C 3.3Å; L738-T741 WeakPolarHBondContact O-CA 3.21Å; L738-T741 PolarHBondContact O-N 3.06Å; L738-T741 PolarHBondContact O-OG1 3.37Å; N739-T741 PolarHBondContact O-N 3.42Å; T741-C748 CarbonylContact O-C 3.34Å; T741-C748 WeakPolarHBondContact O-CA 3.45Å; T741-Q749 CarbonylContact C-O 3.49Å; T741-Q749 VanDerWaalsContact C-O 3.25Å; T741-Q749 WeakPolarHBondContact CA-O 3.21Å; T741-Q749 WeakPolarHBondContact CB-O 3.5Å; T741-Q749 WeakPolarHBondContact CG2-O 3.39Å; T741-Q749 CarbonylContact O-C 3.57Å; T741-Q749 PolarHBondContact O-N 2.61Å; T741-R751 HydrophobicContact CG2-CG 4.19Å
742	I	63.6	Low	61.2	Low	16 Å²	16	61.3 Å²	61.3	8%	0.082	32%	0.318	C	S	.	.			trans	-121.5	131.2	-176.6	-66.5	165.8	0	0	0	110.4	L729 L738 T787	L729-I742 HydrophobicContact CD2-CG2 3.95Å; L738-I742 HydrophobicContact CB-CD1 4.03Å; L738-I742 HydrophobicContact CD2-CD1 4.15Å; L738-I742 PolarHBondContact O-N 3.25Å; I742-T787 HydrophobicContact CD1-CG2 3.53Å; I742-T787 HydrophobicContact CG1-CG2 4.46Å
743	N	60.7	Low	60.5	Low	78 Å²	78	66.5 Å²	66.5	42%	0.417	35%	0.345	S	S	.	.	B	Isolated β-bridge	trans	-141.5	143.4	179.9	-174.7	-16.6	0	0	0	110.4	D745 V746 L747	N743-D745 PolarHBondContact O-N 2.7Å; N743-D745 PolarHBondContact OD1-N 3.44Å; N743-D745 VanDerWaalsContact OD1-N 3.13Å; N743-V746 PolarHBondContact N-O 3.1Å; N743-V746 CarbonylContact O-C 3.58Å; N743-V746 PolarHBondContact O-N 2.89Å; N743-L747 WeakPolarHBondContact O-CA 3.15Å; N743-L747 PolarHBondContact O-N 2.93Å
744	C	53.5	Low	60	Low	73 Å²	73	63.7 Å²	63.7	49%	0.493	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-31.6	175	-50.3	0	0	0	0	113.4	L729	L729-C744 WeakPolarHBondContact CD1-SG 3.49Å
745	D	47.3	Very low	59.8	Low	54 Å²	54	60.5 Å²	60.5	29%	0.289	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89	-17.7	-179.7	-68.1	-11.1	0	0	0	112.4	W126 T129 N743	W126-D745 VanDerWaalsContact CD1-OD1 3.3Å; W126-D745 PolarHBondContact NE1-OD1 2.96Å; T129-D745 VanDerWaalsContact CB-OD2 3.32Å; T129-D745 WeakPolarHBondContact CB-OD2 3.41Å; T129-D745 PolarHBondContact OG1-OD1 2.68Å; T129-D745 PolarHBondContact OG1-OD2 3.46Å; T129-D745 VanDerWaalsContact OG1-OD2 3.05Å; N743-D745 PolarHBondContact O-N 2.7Å; N743-D745 PolarHBondContact OD1-N 3.44Å; N743-D745 VanDerWaalsContact OD1-N 3.13Å
746	V	47.4	Very low	60.1	Low	21 Å²	21	61.9 Å²	61.9	13%	0.127	33%	0.333	C	S	.	.	B	Isolated β-bridge	trans	-148.8	97.2	174.8	-174.1	0	0	0	0	109.2	N743 C748 Q749 V801 Y803	N743-V746 PolarHBondContact N-O 3.1Å; N743-V746 CarbonylContact O-C 3.58Å; N743-V746 PolarHBondContact O-N 2.89Å; V746-C748 PolarHBondContact O-N 2.83Å; V746-Q749 HydrophobicContact CB-CB 4.49Å; V746-Q749 HydrophobicContact CG1-CB 4.04Å; V746-V801 HydrophobicContact CG1-CG1 4.37Å; V746-Y803 HydrophobicContact CB-CE1 4.31Å; V746-Y803 HydrophobicContact CG1-CD1 3.98Å; V746-Y803 HydrophobicContact CG1-CE1 3.69Å; V746-Y803 HydrophobicContact CG2-CD1 4.23Å; V746-Y803 HydrophobicContact CG2-CE1 3.64Å
747	L	54.8	Low	60.8	Low	17 Å²	17	64 Å²	64	9%	0.089	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-20.7	-167.4	-77.2	166.7	0	0	0	115.2	N743 L783 I804 P806	N743-L747 WeakPolarHBondContact O-CA 3.15Å; N743-L747 PolarHBondContact O-N 2.93Å; L747-L783 HydrophobicContact CB-CD2 3.96Å; L747-L783 HydrophobicContact CD1-CD1 4.27Å; L747-L783 HydrophobicContact CD1-CD2 3.83Å; L747-L783 HydrophobicContact CG-CD2 4.34Å; L747-I804 HydrophobicContact CD1-CB 4.19Å; L747-I804 HydrophobicContact CD1-CG2 4.45Å; L747-P806 HydrophobicContact CD1-CG 4.48Å
748	C	51.4	Low	61.7	Low	1 Å²	1	63.3 Å²	63.3	1%	0.007	34%	0.335	C	S	.	.	B	Isolated β-bridge	trans	-148.5	98.9	163.2	-98.1	0	0	0	0	111.5	T741 V746 F802	T741-C748 CarbonylContact O-C 3.34Å; T741-C748 WeakPolarHBondContact O-CA 3.45Å; V746-C748 PolarHBondContact O-N 2.83Å; C748-F802 HydrophobicContact CB-CB 3.84Å; C748-F802 HydrophobicContact CB-CD2 4.29Å; C748-F802 HydrophobicContact CB-CG 4.42Å; C748-F802 PolarHBondContact O-N 3.39Å
749	Q	54.5	Low	62.7	Low	87 Å²	87	63 Å²	63	41%	0.407	33%	0.333	S	S	.	.			trans	-99.4	147.1	165.1	178.9	174.2	-12.9	0	0	109.6	T741 V746	T741-Q749 CarbonylContact C-O 3.49Å; T741-Q749 VanDerWaalsContact C-O 3.25Å; T741-Q749 WeakPolarHBondContact CA-O 3.21Å; T741-Q749 WeakPolarHBondContact CB-O 3.5Å; T741-Q749 WeakPolarHBondContact CG2-O 3.39Å; T741-Q749 CarbonylContact O-C 3.57Å; T741-Q749 PolarHBondContact O-N 2.61Å; V746-Q749 HydrophobicContact CB-CB 4.49Å; V746-Q749 HydrophobicContact CG1-CB 4.04Å
750	T	51.1	Low	63.9	Low	7 Å²	7	61 Å²	61	4%	0.043	32%	0.32	C	S	.	.			trans	-122.5	153.5	-162.8	64.3	0	0	0	0	111.9	K759 K797 Y800	T750-K759 PolarHBondContact O-NZ 3.37Å; T750-K759 PolarHBondContact OG1-NZ 3.18Å; T750-K797 WeakPolarHBondContact CB-O 3.24Å; T750-K797 HydrophobicContact CG2-CB 3.72Å; T750-K797 HydrophobicContact CG2-CG 3.92Å; T750-K797 WeakPolarHBondContact CG2-O 3.5Å; T750-K797 PolarHBondContact OG1-O 3.32Å; T750-Y800 WeakPolarHBondContact CG2-O 3.26Å; T750-Y800 PolarHBondContact OG1-O 3.02Å
751	R	50.8	Low	65.4	Low	137 Å²	137	54.5 Å²	54.5	52%	0.517	29%	0.292	S	S	.	.			trans	-43.5	140.3	-166.3	-69.9	175.5	57.7	128.7	1	113.2	T741 D753 K759	T741-R751 HydrophobicContact CG2-CG 4.19Å; R751-D753 WeakPolarHBondContact CB-OD2 3.09Å; R751-D753 IonicContact CZ-OD2 3.53Å; R751-D753 IonicContact NE-OD1 3.82Å; R751-D753 IonicContact NE-OD2 2.83Å; R751-D753 PolarHBondContact NE-OD2 3.13Å; R751-D753 IonicContact NH2-OD2 3.35Å; R751-D753 PolarHBondContact NH2-OD2 2.76Å; R751-D753 PolarHBondContact O-N 2.79Å; R751-K759 PolarHBondContact O-NZ 3.14Å
752	A	50.9	Low	67.1	Low	96 Å²	96	54 Å²	54	79%	0.793	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-16.6	-169.8	0	0	0	0	0	114.1	I754	A752-I754 PolarHBondContact O-N 3.14Å
753	D	60.5	Low	68.7	Low	112 Å²	112	53.2 Å²	53.2	60%	0.599	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.9	-25.7	-176.8	-38	-5.8	0	0	0	114.6	R751	R751-D753 WeakPolarHBondContact CB-OD2 3.09Å; R751-D753 IonicContact CZ-OD2 3.53Å; R751-D753 IonicContact NE-OD1 3.82Å; R751-D753 IonicContact NE-OD2 2.83Å; R751-D753 PolarHBondContact NE-OD2 3.13Å; R751-D753 IonicContact NH2-OD2 3.35Å; R751-D753 PolarHBondContact NH2-OD2 2.76Å; R751-D753 PolarHBondContact O-N 2.79Å
754	I	66.1	Low	70.4	Confident	54 Å²	54	49.7 Å²	49.7	28%	0.277	27%	0.266	S	S	.	.	S	Bend	trans	-120	129.5	173.9	-65.7	168.3	0	0	0	109.7	A752 D758 K759	A752-I754 PolarHBondContact O-N 3.14Å; I754-D758 HydrophobicContact CG2-CB 4.23Å; I754-K759 HydrophobicContact CB-CG 4.4Å; I754-K759 HydrophobicContact CG2-CG 3.8Å; I754-K759 WeakPolarHBondContact O-CE 3.01Å
755	P	73.9	Confident	72.4	Confident	70 Å²	70	46.2 Å²	46.2	46%	0.455	24%	0.243	S	C	.	.			trans	-60.3	140.7	178.8	-23.1	33.3	0	0	0	113.3	K757 D758 K759	P755-K757 HydrophobicContact CB-CG 3.81Å; P755-K757 PolarHBondContact O-N 2.91Å; P755-K757 VanDerWaalsContact O-N 3.1Å; P755-D758 WeakPolarHBondContact CB-OD2 3Å; P755-D758 PolarHBondContact O-N 2.83Å; P755-K759 PolarHBondContact O-N 3.1Å
756	N	80.8	Confident	74.8	Confident	61 Å²	61	43.6 Å²	43.6	33%	0.326	23%	0.229	S	C	.	.	G	3₁₀ helix	trans	-53.5	-36.5	-179.8	-76.2	-26.6	0	0	0	113.2	D758 K759 T855 Y856	N756-D758 PolarHBondContact O-N 3.25Å; N756-D758 VanDerWaalsContact O-N 3.09Å; N756-K759 PolarHBondContact O-N 3.16Å; N756-T855 CarbonylContact C-O 3.58Å; N756-T855 VanDerWaalsContact C-O 3.3Å; N756-T855 HydrophobicContact CB-CG2 4.22Å; N756-Y856 HydrophobicContact CB-CD1 4.18Å; N756-Y856 HydrophobicContact CB-CE1 3.73Å; N756-Y856 WeakPolarHBondContact O-CA 3.47Å; N756-Y856 WeakPolarHBondContact O-CD1 3.34Å
757	K	85.4	Confident	77.1	Confident	143 Å²	143	42.8 Å²	42.8	62%	0.622	22%	0.223	S	C	*	.	G	3₁₀ helix	trans	-56.6	-23.9	177.3	57.7	157	-158.9	178.5	0	114.3	P755 T855 K857	P755-K757 HydrophobicContact CB-CG 3.81Å; P755-K757 PolarHBondContact O-N 2.91Å; P755-K757 VanDerWaalsContact O-N 3.1Å; K757-T855 WeakPolarHBondContact CA-O 3.45Å; K757-T855 PolarHBondContact N-O 2.94Å; K757-K857 WeakPolarHBondContact O-CA 3.45Å; K757-K857 WeakPolarHBondContact O-CB 3.17Å; K757-K857 PolarHBondContact O-N 2.97Å
758	D	86	Confident	79	Confident	74 Å²	74	42 Å²	42	40%	0.396	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-103.6	-17.3	-175.7	-51.6	-49	0	0	0	112.1	I754 P755 N756 K857	I754-D758 HydrophobicContact CG2-CB 4.23Å; P755-D758 WeakPolarHBondContact CB-OD2 3Å; P755-D758 PolarHBondContact O-N 2.83Å; N756-D758 PolarHBondContact O-N 3.25Å; N756-D758 VanDerWaalsContact O-N 3.09Å; D758-K857 VanDerWaalsContact O-CD 3.29Å; D758-K857 WeakPolarHBondContact O-CD 3.47Å
759	K	89.4	Confident	81.1	Confident	2 Å²	2	42 Å²	42	1%	0.009	22%	0.219	C	C	.	.	S	Bend	trans	-78.3	155.3	172	-65.9	-175.2	179.4	174.8	0	111.7	T750 R751 I754 P755 N756 K798 H799 V801 Y856 K857	T750-K759 PolarHBondContact O-NZ 3.37Å; T750-K759 PolarHBondContact OG1-NZ 3.18Å; R751-K759 PolarHBondContact O-NZ 3.14Å; I754-K759 HydrophobicContact CB-CG 4.4Å; I754-K759 HydrophobicContact CG2-CG 3.8Å; I754-K759 WeakPolarHBondContact O-CE 3.01Å; P755-K759 PolarHBondContact O-N 3.1Å; N756-K759 PolarHBondContact O-N 3.16Å; K759-K798 WeakPolarHBondContact CE-O 3.21Å; K759-H799 WeakPolarHBondContact CA-O 3.3Å; K759-V801 HydrophobicContact CB-CG2 4.5Å; K759-V801 HydrophobicContact CD-CG2 3.84Å; K759-Y856 HydrophobicContact CB-CD1 4.12Å; K759-Y856 HydrophobicContact CB-CE1 4.5Å; K759-Y856 WeakPolarHBondContact O-CB 3.21Å; K759-K857 VanDerWaalsContact O-CB 3.29Å; K759-K857 WeakPolarHBondContact O-CB 3.46Å; K759-K857 PolarHBondContact O-N 3.03Å
760	Y	92.6	Very high	83	Confident	30 Å²	30	38 Å²	38	12%	0.118	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	145.6	169.9	-67.1	-92.3	0	0	0	111.1	H799 Y800 V801 K857 D858	Y760-H799 PolarHBondContact N-O 3.48Å; Y760-Y800 VanDerWaalsContact CB-CD1 3.46Å; Y760-Y800 HydrophobicContact CD2-CE1 4.22Å; Y760-Y800 HydrophobicContact CD2-CE2 4.48Å; Y760-Y800 HydrophobicContact CG-CD1 4.41Å; Y760-Y800 AromaticContact CG-CE1 3.91Å; Y760-Y800 HydrophobicContact CG-CE1 3.91Å; Y760-Y800 CarbonylContact O-C 3.52Å; Y760-Y800 VanDerWaalsContact O-CA 3.26Å; Y760-Y800 WeakPolarHBondContact O-CA 3.44Å; Y760-V801 PolarHBondContact O-N 2.8Å; Y760-K857 HydrophobicContact CD2-CD 4.48Å; Y760-K857 HydrophobicContact CE1-CD 4.25Å; Y760-K857 HydrophobicContact CE1-CG 4.41Å; Y760-K857 HydrophobicContact CE2-CD 3.84Å; Y760-K857 VanDerWaalsContact OH-CE 3.29Å; Y760-K857 WeakPolarHBondContact OH-CE 3.39Å; Y760-K857 PolarHBondContact OH-NZ 2.93Å; Y760-D858 HydrophobicContact CD1-CB 3.96Å; Y760-D858 HydrophobicContact CE1-CB 4.05Å
761	A	93.7	Very high	85.1	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	124.3	169.8	0	0	0	0	0	110.9	V801 C852 Y856 D858 V859 I860	A761-V801 WeakPolarHBondContact CA-O 2.99Å; A761-C852 HydrophobicContact CB-CB 3.92Å; A761-Y856 HydrophobicContact CB-CD2 3.65Å; A761-Y856 HydrophobicContact CB-CE2 4.3Å; A761-Y856 HydrophobicContact CB-CG 3.78Å; A761-D858 PolarHBondContact N-O 3.39Å; A761-V859 HydrophobicContact CB-CG2 4.37Å; A761-V859 CarbonylContact O-C 3.53Å; A761-V859 WeakPolarHBondContact O-CA 3.4Å; A761-I860 PolarHBondContact O-N 2.89Å
762	V	95.8	Very high	87.3	Confident	1 Å²	1	31.2 Å²	31.2	1%	0.006	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	121.5	167	165.9	0	0	0	0	108.1	I764 Y800 V801 F802 Y803 I860 L978	V762-I764 HydrophobicContact CG1-CD1 3.59Å; V762-I764 HydrophobicContact CG1-CG1 3.72Å; V762-Y800 HydrophobicContact CG2-CD1 3.62Å; V762-Y800 HydrophobicContact CG2-CE1 4.09Å; V762-V801 PolarHBondContact N-O 3.39Å; V762-F802 HydrophobicContact CB-CD1 3.7Å; V762-F802 HydrophobicContact CB-CE1 3.69Å; V762-F802 HydrophobicContact CB-CG 4.42Å; V762-F802 HydrophobicContact CB-CZ 4.4Å; V762-F802 HydrophobicContact CG1-CD1 3.58Å; V762-F802 HydrophobicContact CG1-CE1 3.61Å; V762-F802 HydrophobicContact CG2-CE1 4.01Å; V762-F802 HydrophobicContact CG2-CZ 4.39Å; V762-F802 WeakPolarHBondContact O-CA 3.42Å; V762-Y803 PolarHBondContact O-N 2.74Å; V762-I860 HydrophobicContact CG2-CB 3.97Å; V762-I860 HydrophobicContact CG2-CD1 4.08Å; V762-I860 HydrophobicContact CG2-CG1 4.45Å; V762-I860 HydrophobicContact CG2-CG2 4.46Å; V762-L978 HydrophobicContact CG1-CD1 4.21Å; V762-L978 HydrophobicContact CG2-CD1 4.28Å; V762-L978 HydrophobicContact CG2-CD2 4.35Å
763	I	95.7	Very high	89.4	Confident	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	119.5	178.7	-55.4	173.9	0	0	0	107.9	Y803 L848 V849 C852 V859 I860 Y861 C862	I763-Y803 WeakPolarHBondContact CA-O 3.44Å; I763-Y803 HydrophobicContact CG1-CD2 4.45Å; I763-L848 HydrophobicContact CD1-CG 4.48Å; I763-L848 HydrophobicContact CG2-CD2 4.27Å; I763-V849 HydrophobicContact CD1-CB 4.13Å; I763-V849 HydrophobicContact CD1-CG1 4.43Å; I763-V849 HydrophobicContact CD1-CG2 3.72Å; I763-V849 HydrophobicContact CG2-CG2 4.32Å; I763-C852 HydrophobicContact CD1-CB 3.85Å; I763-V859 HydrophobicContact CD1-CG1 3.69Å; I763-V859 HydrophobicContact CG1-CG1 4.15Å; I763-I860 PolarHBondContact N-O 3.27Å; I763-Y861 HydrophobicContact CB-CD2 3.99Å; I763-Y861 HydrophobicContact CG2-CD2 3.85Å; I763-Y861 HydrophobicContact CG2-CE2 4.05Å; I763-Y861 WeakPolarHBondContact O-CA 3.34Å; I763-C862 PolarHBondContact O-N 3.13Å
764	I	96.8	Very high	91.1	Very high	3 Å²	3	21.3 Å²	21.3	2%	0.015	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	130.1	-176.2	-65.1	173.1	0	0	0	109.4	V762 L782 Y803 I804 I805 C862 I864	V762-I764 HydrophobicContact CG1-CD1 3.59Å; V762-I764 HydrophobicContact CG1-CG1 3.72Å; I764-L782 HydrophobicContact CD1-CD2 3.28Å; I764-Y803 PolarHBondContact N-O 3Å; I764-I804 HydrophobicContact CB-CG1 4.31Å; I764-I805 PolarHBondContact O-N 3.21Å; I764-C862 VanDerWaalsContact CA-O 3.29Å; I764-C862 WeakPolarHBondContact CA-O 3.43Å; I764-C862 HydrophobicContact CG1-CB 4.23Å; I764-I864 HydrophobicContact CG2-CD1 3.64Å; I764-I864 HydrophobicContact CG2-CG1 4.11Å
765	T	96.4	Very high	92.5	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	141.3	175.3	52.2	0	0	0	0	110.5	I805 L808 V845 Y861 C862 D863 I864	T765-I805 HydrophobicContact CG2-CB 4.2Å; T765-I805 HydrophobicContact CG2-CD1 4.26Å; T765-L808 HydrophobicContact CG2-CD2 4.48Å; T765-V845 HydrophobicContact CG2-CG1 4.06Å; T765-V845 HydrophobicContact CG2-CG2 4.11Å; T765-Y861 HydrophobicContact CG2-CE2 4.2Å; T765-Y861 PolarHBondContact OG1-OH 2.97Å; T765-C862 PolarHBondContact N-O 2.84Å; T765-D863 CarbonylContact O-C 3.57Å; T765-D863 WeakPolarHBondContact O-CA 3.43Å; T765-D863 VanDerWaalsContact OG1-CG 3.22Å; T765-D863 PolarHBondContact OG1-OD1 3.15Å; T765-I864 PolarHBondContact O-N 3.24Å
766	A	97	Very high	93.6	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	166.5	175	0	0	0	0	0	111.7	V768 T779 I805 L808 I864	A766-V768 PolarHBondContact O-N 2.81Å; A766-V768 VanDerWaalsContact O-N 3.14Å; A766-T779 VanDerWaalsContact CB-OG1 3.29Å; A766-T779 WeakPolarHBondContact CB-OG1 3.23Å; A766-I805 PolarHBondContact N-O 3.12Å; A766-L808 WeakPolarHBondContact O-CB 3.39Å; A766-L808 PolarHBondContact O-N 3.32Å; A766-I864 HydrophobicContact CB-CB 4.33Å
767	R	95.2	Very high	94.4	Very high	3 Å²	3	13 Å²	13	1%	0.011	6%	0.06	C	C	.	.			trans	50.7	37.8	177.1	-42.5	-79.8	-91.4	123.3	8.8	114.2	Y716 H769 P770 E772 S775 S776 P806 M807 N809	Y716-R767 PolarHBondContact O-NH2 2.6Å; R767-H769 PolarHBondContact O-N 3.35Å; R767-P770 PolarHBondContact NH1-O 2.74Å; R767-P770 PolarHBondContact NH2-O 2.94Å; R767-E772 WeakPolarHBondContact CD-O 3.45Å; R767-E772 VanDerWaalsContact NH1-C 3.31Å; R767-E772 PolarHBondContact NH1-O 3.47Å; R767-S775 WeakPolarHBondContact CD-OG 3.44Å; R767-S775 PolarHBondContact N-OG 2.79Å; R767-S775 VanDerWaalsContact N-OG 3.14Å; R767-S776 WeakPolarHBondContact CD-OG 3.34Å; R767-S776 WeakPolarHBondContact CG-OG 3.46Å; R767-S776 PolarHBondContact NE-OG 2.94Å; R767-S776 VanDerWaalsContact NE-OG 3.14Å; R767-P806 WeakPolarHBondContact CG-O 3.44Å; R767-M807 HydrophobicContact CB-CB 4.32Å; R767-M807 HydrophobicContact CB-CG 3.87Å; R767-M807 HydrophobicContact CG-CB 4.38Å; R767-M807 HydrophobicContact CG-CE 4.49Å; R767-M807 HydrophobicContact CG-CG 4.2Å; R767-N809 VanDerWaalsContact O-CB 3.25Å; R767-N809 WeakPolarHBondContact O-CB 3.49Å; R767-N809 PolarHBondContact O-N 2.85Å
768	V	95.4	Very high	95	Very high	1 Å²	1	6.1 Å²	6.1	1%	0.006	3%	0.03	C	C	.	.	S	Bend	trans	-63.9	-27.1	167.2	62	0	0	0	0	110.9	A766 L808 N809 L827 N828 H865	A766-V768 PolarHBondContact O-N 2.81Å; A766-V768 VanDerWaalsContact O-N 3.14Å; V768-L808 HydrophobicContact CB-CB 4.31Å; V768-L808 HydrophobicContact CB-CD2 4.02Å; V768-L808 HydrophobicContact CG2-CD2 3.94Å; V768-N809 WeakPolarHBondContact O-CB 3.27Å; V768-N809 PolarHBondContact O-ND2 3.32Å; V768-L827 HydrophobicContact CG2-CB 3.52Å; V768-L827 HydrophobicContact CG2-CD1 4.46Å; V768-N828 HydrophobicContact CG1-CB 4.33Å; V768-N828 HydrophobicContact CG2-CB 4.18Å; V768-H865 WeakPolarHBondContact CG1-CE1 3.25Å; V768-H865 WeakPolarHBondContact CG1-NE2 3.28Å
769	H	96.4	Very high	95.5	Very high	0 Å²	0	2.7 Å²	2.7	0%	0	1%	0.012	C	C	.	.	S	Bend	trans	-106.8	125.7	166.3	-48.4	129.5	0	0	0	109.8	R767 G771 E772 R819 D826 H865	R767-H769 PolarHBondContact O-N 3.35Å; H769-G771 PolarHBondContact O-N 2.92Å; H769-E772 HydrophobicContact CB-CB 4.41Å; H769-E772 HydrophobicContact CB-CG 4.02Å; H769-E772 VanDerWaalsContact CB-OE1 3.26Å; H769-E772 WeakPolarHBondContact CB-OE1 3.25Å; H769-E772 IonicContact CG-OE1 2.73Å; H769-E772 IonicContact CG-OE2 2.86Å; H769-E772 VanDerWaalsContact ND1-CD 3.26Å; H769-E772 IonicContact ND1-OE1 3.58Å; H769-E772 PolarHBondContact ND1-OE1 2.71Å; H769-E772 IonicContact ND1-OE2 2.68Å; H769-E772 PolarHBondContact ND1-OE2 3.07Å; H769-E772 PolarHBondContact O-N 3.19Å; H769-R819 PolarHBondContact CD2-NE 2.94Å; H769-R819 PolarHBondContact CD2-O 3Å; H769-R819 PolarHBondContact CE1-NH1 2.79Å; H769-R819 PolarHBondContact CE1-NH2 3.26Å; H769-R819 PolarHBondContact ND1-NH1 2.99Å; H769-R819 VanDerWaalsContact ND1-NH1 3.11Å; H769-R819 PolarHBondContact NE2-NE 3.33Å; H769-R819 PolarHBondContact NE2-NH2 2.94Å; H769-D826 IonicContact NE2-OD1 2.69Å; H769-D826 IonicContact NE2-OD2 2.85Å; H769-H865 AromaticContact CE1-CE1 3.13Å; H769-H865 PolarHBondContact CE1-CE1 3.39Å; H769-H865 AromaticContact CE1-ND1 3.03Å; H769-H865 PolarHBondContact CE1-ND1 3.14Å; H769-H865 AromaticContact ND1-CE1 3.55Å; H769-H865 AromaticContact ND1-ND1 3.16Å; H769-H865 PolarHBondContact ND1-ND1 3.14Å; H769-H865 VanDerWaalsContact ND1-ND1 3.16Å
770	P	93.8	Very high	95.8	Very high	3 Å²	3	3 Å²	3	2%	0.019	1%	0.013	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-7.7	-166.5	-11.4	26.7	0	0	0	116.9	R767 N809 G812 V813 N817 Y818	R767-P770 PolarHBondContact NH1-O 2.74Å; R767-P770 PolarHBondContact NH2-O 2.94Å; P770-N809 HydrophobicContact CG-CB 4.21Å; P770-N809 WeakPolarHBondContact CG-ND2 3.21Å; P770-G812 WeakPolarHBondContact CB-O 3.46Å; P770-G812 VanDerWaalsContact CG-C 3.49Å; P770-V813 HydrophobicContact CB-CB 4.33Å; P770-V813 HydrophobicContact CB-CG2 3.66Å; P770-N817 CarbonylContact C-O 3.56Å; P770-N817 HydrophobicContact CB-CB 4.42Å; P770-N817 WeakPolarHBondContact CB-O 3.43Å; P770-N817 HydrophobicContact CG-CB 4.03Å; P770-Y818 WeakPolarHBondContact CD-O 3.14Å
771	G	94.5	Very high	96	Very high	0 Å²	0	1.7 Å²	1.7	0%	0	1%	0.009	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.7	-3.5	173.5	0	0	0	0	0	114.7	H769 T773 N817 Y818 F949	H769-G771 PolarHBondContact O-N 2.92Å; G771-T773 PolarHBondContact O-N 3.43Å; G771-N817 PolarHBondContact N-O 3.47Å; G771-Y818 PolarHBondContact N-O 2.75Å; G771-F949 WeakPolarHBondContact O-CE1 3.43Å; G771-F949 WeakPolarHBondContact O-CZ 3.44Å
772	E	96.6	Very high	96.1	Very high	3 Å²	3	1.7 Å²	1.7	1%	0.014	1%	0.009	C	C	.	.			trans	-91.8	68.9	-175.9	-67.8	170.3	-154.4	0	0	109.7	R767 H769 S775 R819 H865 G866 F949	R767-E772 WeakPolarHBondContact CD-O 3.45Å; R767-E772 VanDerWaalsContact NH1-C 3.31Å; R767-E772 PolarHBondContact NH1-O 3.47Å; H769-E772 HydrophobicContact CB-CB 4.41Å; H769-E772 HydrophobicContact CB-CG 4.02Å; H769-E772 VanDerWaalsContact CB-OE1 3.26Å; H769-E772 WeakPolarHBondContact CB-OE1 3.25Å; H769-E772 IonicContact CG-OE1 2.73Å; H769-E772 IonicContact CG-OE2 2.86Å; H769-E772 VanDerWaalsContact ND1-CD 3.26Å; H769-E772 IonicContact ND1-OE1 3.58Å; H769-E772 PolarHBondContact ND1-OE1 2.71Å; H769-E772 IonicContact ND1-OE2 2.68Å; H769-E772 PolarHBondContact ND1-OE2 3.07Å; H769-E772 PolarHBondContact O-N 3.19Å; E772-S775 PolarHBondContact O-N 3.43Å; E772-S775 PolarHBondContact O-OG 3.2Å; E772-R819 IonicContact OE1-CZ 3.91Å; E772-R819 IonicContact OE1-NH1 3.2Å; E772-R819 PolarHBondContact OE1-NH1 2.97Å; E772-H865 IonicContact OE2-CG 3.82Å; E772-H865 IonicContact OE2-ND1 3.49Å; E772-G866 PolarHBondContact OE2-N 2.83Å; E772-F949 HydrophobicContact CB-CZ 4.25Å; E772-F949 HydrophobicContact CG-CE2 4.45Å; E772-F949 HydrophobicContact CG-CZ 3.9Å
773	T	96	Very high	95.9	Very high	0 Å²	0	1.9 Å²	1.9	0%	0	1%	0.01	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-32.6	-168	53.2	0	0	0	0	114.8	W621 Y714 G771 S775 S776 W777	W621-T773 HydrophobicContact CH2-CG2 3.62Å; W621-T773 HydrophobicContact CZ2-CG2 4.46Å; W621-T773 HydrophobicContact CZ3-CG2 3.73Å; Y714-T773 WeakPolarHBondContact O-CB 3.27Å; Y714-T773 PolarHBondContact O-OG1 3.39Å; G771-T773 PolarHBondContact O-N 3.43Å; T773-S775 PolarHBondContact O-N 2.93Å; T773-S775 VanDerWaalsContact O-N 3.14Å; T773-S776 WeakPolarHBondContact O-CB 3.34Å; T773-S776 PolarHBondContact O-N 3.26Å; T773-W777 PolarHBondContact O-N 3.19Å
774	N	95.3	Very high	95.8	Very high	0 Å²	0	6.4 Å²	6.4	0%	0	3%	0.03	C	C	.	.	H	α-helix	trans	-54	-28.9	172.7	58.8	-9.8	0	0	0	113.4	S776 W777 I778 G866 A947 T948 F967	N774-S776 VanDerWaalsContact C-N 3.28Å; N774-S776 PolarHBondContact O-N 3.46Å; N774-W777 PolarHBondContact O-N 3.32Å; N774-I778 WeakPolarHBondContact O-CG1 3.46Å; N774-I778 PolarHBondContact O-N 3.32Å; N774-G866 WeakPolarHBondContact OD1-CA 3.03Å; N774-A947 PolarHBondContact ND2-O 2.94Å; N774-T948 VanDerWaalsContact ND2-C 3.32Å; N774-T948 PolarHBondContact ND2-O 3.05Å; N774-F967 HydrophobicContact CB-CD1 3.9Å; N774-F967 HydrophobicContact CB-CD2 4.26Å; N774-F967 HydrophobicContact CB-CE1 3.62Å; N774-F967 HydrophobicContact CB-CE2 4.01Å; N774-F967 HydrophobicContact CB-CG 4.22Å; N774-F967 HydrophobicContact CB-CZ 3.69Å
775	S	96.8	Very high	95.7	Very high	0 Å²	0	6.7 Å²	6.7	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-62.6	-31	172.2	69.2	0	0	0	0	114	R767 E772 T773 T779 I864	R767-S775 WeakPolarHBondContact CD-OG 3.44Å; R767-S775 PolarHBondContact N-OG 2.79Å; R767-S775 VanDerWaalsContact N-OG 3.14Å; E772-S775 PolarHBondContact O-N 3.43Å; E772-S775 PolarHBondContact O-OG 3.2Å; T773-S775 PolarHBondContact O-N 2.93Å; T773-S775 VanDerWaalsContact O-N 3.14Å; S775-T779 WeakPolarHBondContact O-CB 3.41Å; S775-T779 PolarHBondContact O-N 3.32Å; S775-T779 PolarHBondContact O-OG1 2.77Å; S775-I864 WeakPolarHBondContact CB-O 3.23Å
776	S	96	Very high	95.4	Very high	1 Å²	1	6.7 Å²	6.7	1%	0.007	3%	0.031	C	C	.	.	H	α-helix	trans	-73.4	-42.7	172.1	-80.7	0	0	0	0	111.8	Y716 R767 T773 N774 I778 T779 L780	Y716-S776 WeakPolarHBondContact CD1-OG 3.18Å; Y716-S776 WeakPolarHBondContact CE1-OG 3.46Å; R767-S776 WeakPolarHBondContact CD-OG 3.34Å; R767-S776 WeakPolarHBondContact CG-OG 3.46Å; R767-S776 PolarHBondContact NE-OG 2.94Å; R767-S776 VanDerWaalsContact NE-OG 3.14Å; T773-S776 WeakPolarHBondContact O-CB 3.34Å; T773-S776 PolarHBondContact O-N 3.26Å; N774-S776 VanDerWaalsContact C-N 3.28Å; N774-S776 PolarHBondContact O-N 3.46Å; S776-I778 PolarHBondContact O-N 2.9Å; S776-T779 CarbonylContact O-C 3.54Å; S776-T779 WeakPolarHBondContact O-CA 3.39Å; S776-T779 PolarHBondContact O-N 3Å; S776-L780 PolarHBondContact O-N 2.91Å
777	W	97.3	Very high	94.9	Very high	8 Å²	8	7.8 Å²	7.8	3%	0.03	4%	0.038	C	C	.	.	H	α-helix	trans	-60.9	-44.9	179.5	-65.8	117	0	0	0	112.1	Y502 Y714 Y716 T773 N774 T779 L780 G781 V964 F967 L968	Y502-W777 AromaticContact CD1-CH2 3.53Å; Y502-W777 HydrophobicContact CD1-CH2 3.53Å; Y502-W777 HydrophobicContact CD1-CZ2 4.27Å; Y502-W777 HydrophobicContact CD1-CZ3 4.26Å; Y502-W777 HydrophobicContact CD2-CH2 4.02Å; Y502-W777 AromaticContact CE1-CH2 3.24Å; Y502-W777 HydrophobicContact CE1-CH2 3.24Å; Y502-W777 AromaticContact CE1-CZ2 3.52Å; Y502-W777 HydrophobicContact CE1-CZ2 3.52Å; Y502-W777 HydrophobicContact CE1-CZ3 4.22Å; Y502-W777 AromaticContact CE2-CH2 3.75Å; Y502-W777 HydrophobicContact CE2-CH2 3.75Å; Y502-W777 AromaticContact CE2-CZ2 3.87Å; Y502-W777 HydrophobicContact CE2-CZ2 3.87Å; Y502-W777 AromaticContact CG-CH2 3.95Å; Y502-W777 HydrophobicContact CG-CH2 3.95Å; Y502-W777 AromaticContact CZ-CH2 3.4Å; Y502-W777 AromaticContact CZ-CZ2 3.31Å; Y502-W777 WeakPolarHBondContact OH-CZ2 3.46Å; Y714-W777 PolarHBondContact O-NE1 3.38Å; Y716-W777 AromaticContact CD2-CD2 3.97Å; Y716-W777 HydrophobicContact CD2-CD2 3.97Å; Y716-W777 AromaticContact CD2-CE2 3.73Å; Y716-W777 HydrophobicContact CD2-CE3 4.05Å; Y716-W777 AromaticContact CD2-CH2 3.64Å; Y716-W777 HydrophobicContact CD2-CH2 3.64Å; Y716-W777 AromaticContact CD2-CZ2 3.57Å; Y716-W777 HydrophobicContact CD2-CZ2 3.57Å; Y716-W777 AromaticContact CD2-CZ3 3.9Å; Y716-W777 HydrophobicContact CD2-CZ3 3.9Å; Y716-W777 HydrophobicContact CE2-CE3 4.32Å; Y716-W777 HydrophobicContact CE2-CH2 4.14Å; Y716-W777 HydrophobicContact CE2-CZ2 4.49Å; Y716-W777 HydrophobicContact CE2-CZ3 4.06Å; Y716-W777 HydrophobicContact CG-CZ2 4.39Å; T773-W777 PolarHBondContact O-N 3.19Å; N774-W777 PolarHBondContact O-N 3.32Å; W777-T779 VanDerWaalsContact C-N 3.29Å; W777-T779 PolarHBondContact O-N 2.7Å; W777-L780 HydrophobicContact CE3-CD2 4.05Å; W777-L780 HydrophobicContact CZ3-CD2 3.84Å; W777-L780 PolarHBondContact O-N 3.11Å; W777-G781 PolarHBondContact O-N 3.42Å; W777-V964 HydrophobicContact CD2-CG1 3.83Å; W777-V964 HydrophobicContact CE3-CG1 3.56Å; W777-V964 HydrophobicContact CG-CG1 4.48Å; W777-V964 HydrophobicContact CH2-CG1 4.33Å; W777-V964 HydrophobicContact CZ3-CG1 3.83Å; W777-F967 HydrophobicContact CB-CB 3.47Å; W777-F967 VanDerWaalsContact CB-CB 3.47Å; W777-F967 HydrophobicContact CB-CD2 4.42Å; W777-F967 HydrophobicContact CB-CG 4.21Å; W777-L968 HydrophobicContact CE3-CD2 4.39Å
778	I	98	Very high	94.5	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-61	-38.6	172.5	-63	173.6	0	0	0	111.5	N774 S776 G781 L782 I864 I873 L945 A947 F967 M970 G971	N774-I778 WeakPolarHBondContact O-CG1 3.46Å; N774-I778 PolarHBondContact O-N 3.32Å; S776-I778 PolarHBondContact O-N 2.9Å; I778-G781 PolarHBondContact O-N 3.22Å; I778-L782 PolarHBondContact O-N 2.89Å; I778-L782 VanDerWaalsContact O-N 3.08Å; I778-I864 HydrophobicContact CB-CG2 4.48Å; I778-I864 HydrophobicContact CD1-CG2 4.45Å; I778-I864 HydrophobicContact CG2-CD1 4.16Å; I778-I873 HydrophobicContact CD1-CD1 4.26Å; I778-L945 HydrophobicContact CD1-CD2 4.36Å; I778-A947 HydrophobicContact CD1-CB 3.44Å; I778-A947 VanDerWaalsContact CD1-CB 3.44Å; I778-F967 VanDerWaalsContact CA-O 3.3Å; I778-F967 WeakPolarHBondContact CA-O 3.48Å; I778-F967 HydrophobicContact CD1-CD1 4.17Å; I778-F967 HydrophobicContact CG1-CB 4.03Å; I778-F967 HydrophobicContact CG1-CD1 4.09Å; I778-F967 WeakPolarHBondContact CG1-O 3.02Å; I778-M970 HydrophobicContact CD1-CG 4.17Å; I778-M970 HydrophobicContact CG1-CB 4.34Å; I778-M970 HydrophobicContact CG1-CG 4.35Å; I778-M970 HydrophobicContact CG2-CG 4.5Å; I778-G971 WeakPolarHBondContact O-CA 3.49Å
779	T	96.7	Very high	93.9	Very high	1 Å²	1	13.4 Å²	13.4	1%	0.006	7%	0.07	C	C	.	.	H	α-helix	trans	-70.2	-36.4	178.1	-51.9	0	0	0	0	112.3	A766 S775 S776 W777 L782 L783 I804 P806	A766-T779 VanDerWaalsContact CB-OG1 3.29Å; A766-T779 WeakPolarHBondContact CB-OG1 3.23Å; S775-T779 WeakPolarHBondContact O-CB 3.41Å; S775-T779 PolarHBondContact O-N 3.32Å; S775-T779 PolarHBondContact O-OG1 2.77Å; S776-T779 CarbonylContact O-C 3.54Å; S776-T779 WeakPolarHBondContact O-CA 3.39Å; S776-T779 PolarHBondContact O-N 3Å; W777-T779 VanDerWaalsContact C-N 3.29Å; W777-T779 PolarHBondContact O-N 2.7Å; T779-L782 PolarHBondContact O-N 2.93Å; T779-L783 HydrophobicContact CG2-CD1 4.26Å; T779-L783 WeakPolarHBondContact O-CB 3.29Å; T779-L783 VanDerWaalsContact O-CG 3.28Å; T779-L783 WeakPolarHBondContact O-CG 3.25Å; T779-L783 PolarHBondContact O-N 2.92Å; T779-I804 HydrophobicContact CG2-CG2 3.37Å; T779-P806 HydrophobicContact CG2-CB 3.76Å
780	L	95.7	Very high	93.6	Very high	8 Å²	8	17.5 Å²	17.5	4%	0.042	9%	0.089	C	C	.	.	H	α-helix	trans	-66	-42.1	175	178.3	60.1	0	0	0	111.4	Y716 D724 L728 S776 W777 L783 K784 L968	Y716-L780 HydrophobicContact CE2-CD2 4.27Å; D724-L780 HydrophobicContact CB-CD1 3.77Å; D724-L780 WeakPolarHBondContact OD2-CD2 3.48Å; L728-L780 HydrophobicContact CD1-CD1 4.27Å; S776-L780 PolarHBondContact O-N 2.91Å; W777-L780 HydrophobicContact CE3-CD2 4.05Å; W777-L780 HydrophobicContact CZ3-CD2 3.84Å; W777-L780 PolarHBondContact O-N 3.11Å; L780-L783 PolarHBondContact O-N 2.91Å; L780-K784 HydrophobicContact CD1-CG 4.4Å; L780-K784 WeakPolarHBondContact O-CG 3.35Å; L780-K784 PolarHBondContact O-N 2.81Å; L780-L968 HydrophobicContact CB-CD2 4Å; L780-L968 HydrophobicContact CD2-CD2 3.97Å; L780-L968 HydrophobicContact CG-CD2 3.85Å
781	G	96.7	Very high	93.4	Very high	4 Å²	4	21.9 Å²	21.9	4%	0.041	12%	0.12	C	C	.	.	H	α-helix	trans	-59.2	-46.5	174.3	0	0	0	0	0	112.4	W777 I778 L783 K784 F785 L968	W777-G781 PolarHBondContact O-N 3.42Å; I778-G781 PolarHBondContact O-N 3.22Å; G781-L783 VanDerWaalsContact C-N 3.33Å; G781-L783 PolarHBondContact O-N 3.38Å; G781-K784 PolarHBondContact O-N 3.45Å; G781-F785 PolarHBondContact O-N 3.11Å; G781-L968 WeakPolarHBondContact CA-O 3.49Å
782	L	95.7	Very high	93.2	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-62.6	-39.5	174.5	178.9	63	0	0	0	112.1	I764 I778 T779 F785 L786 I804 G971 L974	I764-L782 HydrophobicContact CD1-CD2 3.28Å; I778-L782 PolarHBondContact O-N 2.89Å; I778-L782 VanDerWaalsContact O-N 3.08Å; T779-L782 PolarHBondContact O-N 2.93Å; L782-F785 HydrophobicContact CD1-CD1 4.27Å; L782-F785 PolarHBondContact O-N 3.1Å; L782-L786 HydrophobicContact CD1-CD1 4.02Å; L782-L786 HydrophobicContact CD1-CG 4.06Å; L782-L786 HydrophobicContact CD2-CD1 4.47Å; L782-L786 HydrophobicContact CG-CD1 3.9Å; L782-L786 HydrophobicContact CG-CG 4.34Å; L782-L786 WeakPolarHBondContact O-CB 3.18Å; L782-L786 VanDerWaalsContact O-CG 3.3Å; L782-L786 WeakPolarHBondContact O-CG 3.33Å; L782-L786 PolarHBondContact O-N 2.98Å; L782-I804 HydrophobicContact CD2-CD1 4.15Å; L782-I804 HydrophobicContact CG-CD1 4.42Å; L782-G971 WeakPolarHBondContact CA-O 3.4Å; L782-G971 WeakPolarHBondContact CB-O 3.3Å; L782-G971 WeakPolarHBondContact CD1-O 3.35Å; L782-L974 HydrophobicContact CD2-CD2 4.4Å
783	L	92.9	Very high	92.9	Very high	5 Å²	5	23.3 Å²	23.3	3%	0.026	13%	0.129	C	C	.	.	H	α-helix	trans	-63.6	-48.5	175.8	-75.4	168.1	0	0	0	111	L728 L747 T779 L780 G781 F785 L786 T787 I804	L728-L783 HydrophobicContact CD1-CB 3.88Å; L728-L783 HydrophobicContact CD1-CD1 4.46Å; L747-L783 HydrophobicContact CB-CD2 3.96Å; L747-L783 HydrophobicContact CD1-CD1 4.27Å; L747-L783 HydrophobicContact CD1-CD2 3.83Å; L747-L783 HydrophobicContact CG-CD2 4.34Å; T779-L783 HydrophobicContact CG2-CD1 4.26Å; T779-L783 WeakPolarHBondContact O-CB 3.29Å; T779-L783 VanDerWaalsContact O-CG 3.28Å; T779-L783 WeakPolarHBondContact O-CG 3.25Å; T779-L783 PolarHBondContact O-N 2.92Å; L780-L783 PolarHBondContact O-N 2.91Å; G781-L783 VanDerWaalsContact C-N 3.33Å; G781-L783 PolarHBondContact O-N 3.38Å; L783-F785 VanDerWaalsContact C-N 3.29Å; L783-F785 PolarHBondContact O-N 2.79Å; L783-L786 PolarHBondContact O-N 2.96Å; L783-L786 VanDerWaalsContact O-N 3.12Å; L783-T787 WeakPolarHBondContact O-CG2 3.37Å; L783-T787 PolarHBondContact O-N 3.36Å; L783-T787 PolarHBondContact O-OG1 2.74Å; L783-T787 VanDerWaalsContact O-OG1 3.11Å; L783-I804 HydrophobicContact CD1-CG2 4.46Å; L783-I804 HydrophobicContact CD2-CB 4.35Å; L783-I804 HydrophobicContact CD2-CD1 3.68Å; L783-I804 HydrophobicContact CD2-CG2 4.24Å; L783-I804 HydrophobicContact CG-CD1 4.32Å; L783-I804 HydrophobicContact CG-CG2 4.4Å
784	K	92.9	Very high	92.5	Very high	95 Å²	95	26.3 Å²	26.3	41%	0.413	15%	0.145	S	C	.	.	H	α-helix	trans	-55.9	-41.4	174.9	-74.1	-175.4	174.6	-170.1	0	112.1	L728 L780 G781 T787 S788	L728-K784 HydrophobicContact CD2-CG 4.15Å; L780-K784 HydrophobicContact CD1-CG 4.4Å; L780-K784 WeakPolarHBondContact O-CG 3.35Å; L780-K784 PolarHBondContact O-N 2.81Å; G781-K784 PolarHBondContact O-N 3.45Å; K784-T787 PolarHBondContact O-OG1 3.11Å; K784-S788 PolarHBondContact O-N 3.27Å; K784-S788 VanDerWaalsContact O-N 3.09Å
785	F	93.5	Very high	92.1	Very high	8 Å²	8	27.5 Å²	27.5	4%	0.035	15%	0.154	C	C	.	.	H	α-helix	trans	-62.9	-48.7	173	170.1	-95.8	0	0	0	112.6	G781 L782 L783 T787 S788 V792 S793 L796 E972 G975	G781-F785 PolarHBondContact O-N 3.11Å; L782-F785 HydrophobicContact CD1-CD1 4.27Å; L782-F785 PolarHBondContact O-N 3.1Å; L783-F785 VanDerWaalsContact C-N 3.29Å; L783-F785 PolarHBondContact O-N 2.79Å; F785-T787 VanDerWaalsContact C-N 3.32Å; F785-T787 PolarHBondContact O-N 3.03Å; F785-S788 VanDerWaalsContact O-CB 3.31Å; F785-S788 WeakPolarHBondContact O-CB 3.03Å; F785-S788 PolarHBondContact O-N 2.73Å; F785-S788 PolarHBondContact O-OG 2.81Å; F785-V792 HydrophobicContact CZ-CB 4.36Å; F785-V792 HydrophobicContact CZ-CG1 4.01Å; F785-S793 WeakPolarHBondContact O-CB 3.16Å; F785-S793 PolarHBondContact O-OG 3.43Å; F785-L796 HydrophobicContact CE1-CD2 3.87Å; F785-E972 HydrophobicContact CB-CB 4.36Å; F785-E972 HydrophobicContact CB-CG 4.11Å; F785-E972 HydrophobicContact CD2-CG 3.68Å; F785-E972 HydrophobicContact CG-CG 4.22Å; F785-G975 VanDerWaalsContact CE1-CA 3.48Å
786	L	90.2	Very high	91.8	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-68.5	-28.5	-179.4	-71	173.7	0	0	0	112.9	L782 L783 S788 S793 L796 K797 F802 I804	L782-L786 HydrophobicContact CD1-CD1 4.02Å; L782-L786 HydrophobicContact CD1-CG 4.06Å; L782-L786 HydrophobicContact CD2-CD1 4.47Å; L782-L786 HydrophobicContact CG-CD1 3.9Å; L782-L786 HydrophobicContact CG-CG 4.34Å; L782-L786 WeakPolarHBondContact O-CB 3.18Å; L782-L786 VanDerWaalsContact O-CG 3.3Å; L782-L786 WeakPolarHBondContact O-CG 3.33Å; L782-L786 PolarHBondContact O-N 2.98Å; L783-L786 PolarHBondContact O-N 2.96Å; L783-L786 VanDerWaalsContact O-N 3.12Å; L786-S788 VanDerWaalsContact C-N 3.33Å; L786-S793 WeakPolarHBondContact CA-OG 2.93Å; L786-S793 PolarHBondContact O-OG 2.87Å; L786-L796 HydrophobicContact CD2-CD2 3.98Å; L786-K797 WeakPolarHBondContact O-CE 3.47Å; L786-K797 PolarHBondContact O-NZ 3.37Å; L786-F802 HydrophobicContact CD1-CB 4.27Å; L786-F802 HydrophobicContact CD1-CD1 3.58Å; L786-F802 HydrophobicContact CD1-CD2 4.34Å; L786-F802 HydrophobicContact CD1-CE1 3.97Å; L786-F802 HydrophobicContact CD1-CG 3.8Å; L786-F802 HydrophobicContact CD2-CD1 4.33Å; L786-F802 HydrophobicContact CD2-CD2 4.13Å; L786-F802 HydrophobicContact CD2-CE1 4.04Å; L786-F802 HydrophobicContact CD2-CE2 3.83Å; L786-F802 HydrophobicContact CD2-CG 4.38Å; L786-F802 HydrophobicContact CD2-CZ 3.8Å; L786-I804 HydrophobicContact CD1-CD1 3.5Å; L786-I804 VanDerWaalsContact CD1-CD1 3.5Å
787	T	86.3	Confident	91.3	Very high	23 Å²	23	27.9 Å²	27.9	14%	0.141	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-4.1	170.9	63.3	0	0	0	0	113.5	L728 L738 I742 L783 K784 F785	L728-T787 HydrophobicContact CB-CG2 4.45Å; L728-T787 HydrophobicContact CD2-CG2 4.01Å; L728-T787 WeakPolarHBondContact CD2-OG1 3.42Å; L738-T787 WeakPolarHBondContact CD1-O 3.3Å; L738-T787 WeakPolarHBondContact CD2-O 3.26Å; I742-T787 HydrophobicContact CD1-CG2 3.53Å; I742-T787 HydrophobicContact CG1-CG2 4.46Å; L783-T787 WeakPolarHBondContact O-CG2 3.37Å; L783-T787 PolarHBondContact O-N 3.36Å; L783-T787 PolarHBondContact O-OG1 2.74Å; L783-T787 VanDerWaalsContact O-OG1 3.11Å; K784-T787 PolarHBondContact O-OG1 3.11Å; F785-T787 VanDerWaalsContact C-N 3.32Å; F785-T787 PolarHBondContact O-N 3.03Å
788	S	86.9	Confident	90.8	Very high	27 Å²	27	33.9 Å²	33.9	19%	0.189	18%	0.182	C	C	.	.	S	Bend	trans	-75.9	164.4	177.8	80.4	0	0	0	0	113.1	K784 F785 L786 Q790 K797	K784-S788 PolarHBondContact O-N 3.27Å; K784-S788 VanDerWaalsContact O-N 3.09Å; F785-S788 VanDerWaalsContact O-CB 3.31Å; F785-S788 WeakPolarHBondContact O-CB 3.03Å; F785-S788 PolarHBondContact O-N 2.73Å; F785-S788 PolarHBondContact O-OG 2.81Å; L786-S788 VanDerWaalsContact C-N 3.33Å; S788-Q790 VanDerWaalsContact C-N 3.32Å; S788-Q790 WeakPolarHBondContact OG-CB 3.44Å; S788-Q790 WeakPolarHBondContact OG-CG 3.38Å; S788-Q790 PolarHBondContact OG-N 3.36Å; S788-K797 PolarHBondContact O-NZ 3.43Å
789	N	84.7	Confident	90.3	Very high	96 Å²	96	37.1 Å²	37.1	51%	0.513	20%	0.197	S	C	.	.			trans	-86	6.5	170.2	-75.6	-20.9	0	0	0	113.5	N735 S791 L794	N735-N789 PolarHBondContact ND2-ND2 3.04Å; N735-N789 VanDerWaalsContact ND2-ND2 3.13Å; N735-N789 PolarHBondContact ND2-OD1 2.55Å; N789-S791 PolarHBondContact O-N 3.48Å; N789-L794 WeakPolarHBondContact O-CD1 3.12Å
790	Q	88.8	Confident	90	Very high	85 Å²	85	37.1 Å²	37.1	40%	0.397	20%	0.197	S	C	.	.			trans	-57.8	139.2	179.5	-69	-180	-6.6	0	0	111.1	S788 V792 S793 L794	S788-Q790 VanDerWaalsContact C-N 3.32Å; S788-Q790 WeakPolarHBondContact OG-CB 3.44Å; S788-Q790 WeakPolarHBondContact OG-CG 3.38Å; S788-Q790 PolarHBondContact OG-N 3.36Å; Q790-V792 VanDerWaalsContact C-N 3.29Å; Q790-V792 PolarHBondContact O-N 3.1Å; Q790-S793 WeakPolarHBondContact O-CA 3.23Å; Q790-S793 WeakPolarHBondContact O-CB 3.29Å; Q790-S793 PolarHBondContact O-N 3.29Å; Q790-L794 WeakPolarHBondContact O-CG 3.39Å; Q790-L794 PolarHBondContact O-N 3.17Å
791	S	89.4	Confident	89.7	Confident	96 Å²	96	36.7 Å²	36.7	67%	0.671	20%	0.195	S	C	*	.	H	α-helix	trans	-55.1	-42.8	-178.9	53.3	0	0	0	0	112.5	N789 L794 A795	N789-S791 PolarHBondContact O-N 3.48Å; S791-L794 PolarHBondContact O-N 2.91Å; S791-A795 WeakPolarHBondContact O-CB 3.36Å; S791-A795 PolarHBondContact O-N 2.74Å
792	V	91.4	Very high	89.5	Confident	33 Å²	33	36.5 Å²	36.5	20%	0.2	19%	0.193	C	C	.	.	H	α-helix	trans	-59.2	-47.2	174.9	-174.8	0	0	0	0	111.2	F785 Q790 L794 A795 L796 Y979	F785-V792 HydrophobicContact CZ-CB 4.36Å; F785-V792 HydrophobicContact CZ-CG1 4.01Å; Q790-V792 VanDerWaalsContact C-N 3.29Å; Q790-V792 PolarHBondContact O-N 3.1Å; V792-L794 PolarHBondContact O-N 3.34Å; V792-A795 PolarHBondContact O-N 2.76Å; V792-L796 WeakPolarHBondContact O-CB 3.34Å; V792-L796 PolarHBondContact O-N 3.15Å; V792-Y979 HydrophobicContact CG1-CD1 3.76Å; V792-Y979 HydrophobicContact CG1-CD2 4.32Å; V792-Y979 HydrophobicContact CG1-CG 3.6Å
793	S	90.1	Very high	89.3	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-62	-43.4	176.8	-179.3	0	0	0	0	111.6	F785 L786 Q790 K797	F785-S793 WeakPolarHBondContact O-CB 3.16Å; F785-S793 PolarHBondContact O-OG 3.43Å; L786-S793 WeakPolarHBondContact CA-OG 2.93Å; L786-S793 PolarHBondContact O-OG 2.87Å; Q790-S793 WeakPolarHBondContact O-CA 3.23Å; Q790-S793 WeakPolarHBondContact O-CB 3.29Å; Q790-S793 PolarHBondContact O-N 3.29Å; S793-K797 VanDerWaalsContact C-CE 3.41Å; S793-K797 WeakPolarHBondContact O-CB 3.32Å; S793-K797 WeakPolarHBondContact O-CE 3.24Å; S793-K797 VanDerWaalsContact O-CG 3.3Å; S793-K797 WeakPolarHBondContact O-CG 3.36Å; S793-K797 PolarHBondContact O-N 2.81Å; S793-K797 VanDerWaalsContact OG-CE 3.25Å; S793-K797 WeakPolarHBondContact OG-CE 3.27Å; S793-K797 PolarHBondContact OG-NZ 2.75Å
794	L	86.8	Confident	89.4	Confident	63 Å²	63	37.8 Å²	37.8	33%	0.33	20%	0.198	S	C	.	.	H	α-helix	trans	-65.3	-40.7	176.2	-66.8	172.1	0	0	0	112.6	N789 Q790 S791 V792 K797 K798	N789-L794 WeakPolarHBondContact O-CD1 3.12Å; Q790-L794 WeakPolarHBondContact O-CG 3.39Å; Q790-L794 PolarHBondContact O-N 3.17Å; S791-L794 PolarHBondContact O-N 2.91Å; V792-L794 PolarHBondContact O-N 3.34Å; L794-K797 PolarHBondContact O-N 2.79Å; L794-K798 PolarHBondContact O-N 3.45Å
795	A	87.9	Confident	89.3	Confident	24 Å²	24	34.8 Å²	34.8	20%	0.198	19%	0.187	C	C	.	.	H	α-helix	trans	-68.8	-46.7	176.7	0	0	0	0	0	111.7	S791 V792 K797 K798 H799 Y979	S791-A795 WeakPolarHBondContact O-CB 3.36Å; S791-A795 PolarHBondContact O-N 2.74Å; V792-A795 PolarHBondContact O-N 2.76Å; A795-K797 VanDerWaalsContact C-N 3.26Å; A795-K797 PolarHBondContact O-N 2.81Å; A795-K798 WeakPolarHBondContact O-CB 2.97Å; A795-K798 PolarHBondContact O-N 3.37Å; A795-H799 PolarHBondContact O-CD2 3.49Å; A795-Y979 HydrophobicContact CB-CD2 4.17Å; A795-Y979 HydrophobicContact CB-CE2 3.68Å
796	L	89.9	Confident	89.2	Confident	1 Å²	1	35 Å²	35	1%	0.005	19%	0.189	C	C	.	.	H	α-helix	trans	-55.8	-42.6	173.1	-177	65.9	0	0	0	111.1	F785 L786 V792 K798 H799 Y800 F802 G975 L978 Y979	F785-L796 HydrophobicContact CE1-CD2 3.87Å; L786-L796 HydrophobicContact CD2-CD2 3.98Å; V792-L796 WeakPolarHBondContact O-CB 3.34Å; V792-L796 PolarHBondContact O-N 3.15Å; L796-K798 VanDerWaalsContact C-N 3.35Å; L796-K798 PolarHBondContact O-N 2.89Å; L796-H799 PolarHBondContact O-N 3.36Å; L796-Y800 HydrophobicContact CD1-CD2 3.57Å; L796-Y800 HydrophobicContact CD1-CE2 3.86Å; L796-Y800 HydrophobicContact CD1-CG 4.1Å; L796-Y800 HydrophobicContact CG-CD2 4.42Å; L796-Y800 WeakPolarHBondContact O-CB 3.35Å; L796-Y800 WeakPolarHBondContact O-CD2 3.26Å; L796-Y800 PolarHBondContact O-N 2.87Å; L796-Y800 VanDerWaalsContact O-N 3.11Å; L796-F802 HydrophobicContact CD1-CZ 4.19Å; L796-F802 HydrophobicContact CD2-CE2 4.27Å; L796-F802 HydrophobicContact CD2-CZ 3.66Å; L796-F802 HydrophobicContact CG-CE2 4.02Å; L796-F802 HydrophobicContact CG-CZ 3.72Å; L796-G975 WeakPolarHBondContact CD2-O 3.43Å; L796-L978 HydrophobicContact CD1-CB 4.09Å; L796-L978 HydrophobicContact CD2-CB 4.45Å; L796-Y979 HydrophobicContact CB-CD2 4.45Å
797	K	85.6	Confident	89.3	Confident	9 Å²	9	35.7 Å²	35.7	4%	0.039	19%	0.192	C	C	.	.	H	α-helix	trans	-58.1	-40.4	173.5	-80.7	174.3	-76.3	-165.3	0	112	T750 L786 S788 S793 L794 A795 H799 Y800	T750-K797 WeakPolarHBondContact CB-O 3.24Å; T750-K797 HydrophobicContact CG2-CB 3.72Å; T750-K797 HydrophobicContact CG2-CG 3.92Å; T750-K797 WeakPolarHBondContact CG2-O 3.5Å; T750-K797 PolarHBondContact OG1-O 3.32Å; L786-K797 WeakPolarHBondContact O-CE 3.47Å; L786-K797 PolarHBondContact O-NZ 3.37Å; S788-K797 PolarHBondContact O-NZ 3.43Å; S793-K797 VanDerWaalsContact C-CE 3.41Å; S793-K797 WeakPolarHBondContact O-CB 3.32Å; S793-K797 WeakPolarHBondContact O-CE 3.24Å; S793-K797 VanDerWaalsContact O-CG 3.3Å; S793-K797 WeakPolarHBondContact O-CG 3.36Å; S793-K797 PolarHBondContact O-N 2.81Å; S793-K797 VanDerWaalsContact OG-CE 3.25Å; S793-K797 WeakPolarHBondContact OG-CE 3.27Å; S793-K797 PolarHBondContact OG-NZ 2.75Å; L794-K797 PolarHBondContact O-N 2.79Å; A795-K797 VanDerWaalsContact C-N 3.26Å; A795-K797 PolarHBondContact O-N 2.81Å; K797-H799 VanDerWaalsContact C-N 3.29Å; K797-H799 PolarHBondContact O-N 3.49Å; K797-Y800 VanDerWaalsContact O-O 3.09Å
798	K	85.7	Confident	89.5	Confident	134 Å²	134	34.9 Å²	34.9	58%	0.583	19%	0.187	S	C	*	.	H	α-helix	trans	-54.6	-42.6	178.6	-67	176.4	-176.9	179.2	0	113	K759 L794 A795 L796	K759-K798 WeakPolarHBondContact CE-O 3.21Å; L794-K798 PolarHBondContact O-N 3.45Å; A795-K798 WeakPolarHBondContact O-CB 2.97Å; A795-K798 PolarHBondContact O-N 3.37Å; L796-K798 VanDerWaalsContact C-N 3.35Å; L796-K798 PolarHBondContact O-N 2.89Å
799	H	88.1	Confident	89.7	Confident	67 Å²	67	33.9 Å²	33.9	31%	0.31	18%	0.18	S	C	.	.	H	α-helix	trans	-98.7	-11.6	-170.5	-56.7	-76	0	0	0	115.2	K759 Y760 A795 L796 K797 H982	K759-H799 WeakPolarHBondContact CA-O 3.3Å; Y760-H799 PolarHBondContact N-O 3.48Å; A795-H799 PolarHBondContact O-CD2 3.49Å; L796-H799 PolarHBondContact O-N 3.36Å; K797-H799 VanDerWaalsContact C-N 3.29Å; K797-H799 PolarHBondContact O-N 3.49Å; H799-H982 AromaticContact CD2-NE2 3.72Å; H799-H982 AromaticContact CG-CE1 3.83Å; H799-H982 AromaticContact CG-NE2 3.37Å; H799-H982 AromaticContact ND1-NE2 3.7Å
800	Y	91.3	Very high	89.8	Confident	1 Å²	1	30.7 Å²	30.7	0%	0.004	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	162.7	-174.9	-69.5	-101.1	0	0	0	113	T750 Y760 V762 L796 K797 F802 I860 H982	T750-Y800 WeakPolarHBondContact CG2-O 3.26Å; T750-Y800 PolarHBondContact OG1-O 3.02Å; Y760-Y800 VanDerWaalsContact CB-CD1 3.46Å; Y760-Y800 HydrophobicContact CD2-CE1 4.22Å; Y760-Y800 HydrophobicContact CD2-CE2 4.48Å; Y760-Y800 HydrophobicContact CG-CD1 4.41Å; Y760-Y800 AromaticContact CG-CE1 3.91Å; Y760-Y800 HydrophobicContact CG-CE1 3.91Å; Y760-Y800 CarbonylContact O-C 3.52Å; Y760-Y800 VanDerWaalsContact O-CA 3.26Å; Y760-Y800 WeakPolarHBondContact O-CA 3.44Å; V762-Y800 HydrophobicContact CG2-CD1 3.62Å; V762-Y800 HydrophobicContact CG2-CE1 4.09Å; L796-Y800 HydrophobicContact CD1-CD2 3.57Å; L796-Y800 HydrophobicContact CD1-CE2 3.86Å; L796-Y800 HydrophobicContact CD1-CG 4.1Å; L796-Y800 HydrophobicContact CG-CD2 4.42Å; L796-Y800 WeakPolarHBondContact O-CB 3.35Å; L796-Y800 WeakPolarHBondContact O-CD2 3.26Å; L796-Y800 PolarHBondContact O-N 2.87Å; L796-Y800 VanDerWaalsContact O-N 3.11Å; K797-Y800 VanDerWaalsContact O-O 3.09Å; Y800-F802 HydrophobicContact CG-CE2 4.46Å; Y800-F802 HydrophobicContact CG-CZ 4.48Å; Y800-I860 HydrophobicContact CE1-CD1 3.94Å; Y800-H982 HydrophobicContact CE2-CB 3.76Å; Y800-H982 AromaticContact CE2-CG 3.64Å; Y800-H982 AromaticContact CE2-ND1 3.37Å; Y800-H982 WeakPolarHBondContact CE2-ND1 3.4Å; Y800-H982 AromaticContact CZ-ND1 3.66Å; Y800-H982 WeakPolarHBondContact OH-CB 3.32Å; Y800-H982 PolarHBondContact OH-ND1 2.88Å; Y800-H982 VanDerWaalsContact OH-ND1 3.16Å
801	V	89.9	Confident	89.5	Confident	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	132	165.9	-179.8	0	0	0	0	108.7	V746 K759 Y760 A761 V762 Y803 Y856	V746-V801 HydrophobicContact CG1-CG1 4.37Å; K759-V801 HydrophobicContact CB-CG2 4.5Å; K759-V801 HydrophobicContact CD-CG2 3.84Å; Y760-V801 PolarHBondContact O-N 2.8Å; A761-V801 WeakPolarHBondContact CA-O 2.99Å; V762-V801 PolarHBondContact N-O 3.39Å; V801-Y803 HydrophobicContact CB-CE2 4.27Å; V801-Y803 HydrophobicContact CG1-CD2 4.26Å; V801-Y803 HydrophobicContact CG1-CE2 3.5Å; V801-Y803 VanDerWaalsContact CG1-CE2 3.5Å; V801-Y856 HydrophobicContact CB-CE1 3.99Å; V801-Y856 HydrophobicContact CG2-CD1 4.47Å; V801-Y856 HydrophobicContact CG2-CE1 3.63Å
802	F	92	Very high	89.3	Confident	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	117.7	-170.2	-71.8	-94.3	0	0	0	112.4	C748 V762 L786 L796 Y800 I804 L978	C748-F802 HydrophobicContact CB-CB 3.84Å; C748-F802 HydrophobicContact CB-CD2 4.29Å; C748-F802 HydrophobicContact CB-CG 4.42Å; C748-F802 PolarHBondContact O-N 3.39Å; V762-F802 HydrophobicContact CB-CD1 3.7Å; V762-F802 HydrophobicContact CB-CE1 3.69Å; V762-F802 HydrophobicContact CB-CG 4.42Å; V762-F802 HydrophobicContact CB-CZ 4.4Å; V762-F802 HydrophobicContact CG1-CD1 3.58Å; V762-F802 HydrophobicContact CG1-CE1 3.61Å; V762-F802 HydrophobicContact CG2-CE1 4.01Å; V762-F802 HydrophobicContact CG2-CZ 4.39Å; V762-F802 WeakPolarHBondContact O-CA 3.42Å; L786-F802 HydrophobicContact CD1-CB 4.27Å; L786-F802 HydrophobicContact CD1-CD1 3.58Å; L786-F802 HydrophobicContact CD1-CD2 4.34Å; L786-F802 HydrophobicContact CD1-CE1 3.97Å; L786-F802 HydrophobicContact CD1-CG 3.8Å; L786-F802 HydrophobicContact CD2-CD1 4.33Å; L786-F802 HydrophobicContact CD2-CD2 4.13Å; L786-F802 HydrophobicContact CD2-CE1 4.04Å; L786-F802 HydrophobicContact CD2-CE2 3.83Å; L786-F802 HydrophobicContact CD2-CG 4.38Å; L786-F802 HydrophobicContact CD2-CZ 3.8Å; L796-F802 HydrophobicContact CD1-CZ 4.19Å; L796-F802 HydrophobicContact CD2-CE2 4.27Å; L796-F802 HydrophobicContact CD2-CZ 3.66Å; L796-F802 HydrophobicContact CG-CE2 4.02Å; L796-F802 HydrophobicContact CG-CZ 3.72Å; Y800-F802 HydrophobicContact CG-CE2 4.46Å; Y800-F802 HydrophobicContact CG-CZ 4.48Å; F802-I804 HydrophobicContact CB-CD1 4.36Å; F802-I804 HydrophobicContact CB-CG1 4.37Å; F802-I804 HydrophobicContact CD1-CD1 4.5Å; F802-L978 HydrophobicContact CE1-CD1 4.08Å
803	Y	92	Very high	89.1	Confident	21 Å²	21	22.4 Å²	22.4	8%	0.082	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	88.1	173.6	-65.5	-85.7	0	0	0	109.5	V746 V762 I763 I764 V801 L848 W851 Y856	V746-Y803 HydrophobicContact CB-CE1 4.31Å; V746-Y803 HydrophobicContact CG1-CD1 3.98Å; V746-Y803 HydrophobicContact CG1-CE1 3.69Å; V746-Y803 HydrophobicContact CG2-CD1 4.23Å; V746-Y803 HydrophobicContact CG2-CE1 3.64Å; V762-Y803 PolarHBondContact O-N 2.74Å; I763-Y803 WeakPolarHBondContact CA-O 3.44Å; I763-Y803 HydrophobicContact CG1-CD2 4.45Å; I764-Y803 PolarHBondContact N-O 3Å; V801-Y803 HydrophobicContact CB-CE2 4.27Å; V801-Y803 HydrophobicContact CG1-CD2 4.26Å; V801-Y803 HydrophobicContact CG1-CE2 3.5Å; V801-Y803 VanDerWaalsContact CG1-CE2 3.5Å; Y803-L848 HydrophobicContact CD1-CD1 3.83Å; Y803-L848 HydrophobicContact CD1-CD2 4.47Å; Y803-L848 HydrophobicContact CE1-CD1 4.18Å; Y803-L848 HydrophobicContact CG-CD1 4.2Å; Y803-L848 HydrophobicContact CG-CD2 4.47Å; Y803-W851 HydrophobicContact CE1-CZ3 4.2Å; Y803-W851 HydrophobicContact CE2-CZ3 4.29Å; Y803-W851 AromaticContact CZ-CZ3 3.7Å; Y803-W851 WeakPolarHBondContact OH-CH2 3.33Å; Y803-W851 WeakPolarHBondContact OH-CZ3 3.11Å; Y803-Y856 HydrophobicContact CE2-CE2 4.02Å; Y803-Y856 PolarHBondContact OH-OH 3.29Å
804	I	93.2	Very high	88.7	Confident	11 Å²	11	23.3 Å²	23.3	6%	0.056	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	126.9	-177.1	-59.7	174.6	0	0	0	109	L747 I764 T779 L782 L783 L786 F802 P806	L747-I804 HydrophobicContact CD1-CB 4.19Å; L747-I804 HydrophobicContact CD1-CG2 4.45Å; I764-I804 HydrophobicContact CB-CG1 4.31Å; T779-I804 HydrophobicContact CG2-CG2 3.37Å; L782-I804 HydrophobicContact CD2-CD1 4.15Å; L782-I804 HydrophobicContact CG-CD1 4.42Å; L783-I804 HydrophobicContact CD1-CG2 4.46Å; L783-I804 HydrophobicContact CD2-CB 4.35Å; L783-I804 HydrophobicContact CD2-CD1 3.68Å; L783-I804 HydrophobicContact CD2-CG2 4.24Å; L783-I804 HydrophobicContact CG-CD1 4.32Å; L783-I804 HydrophobicContact CG-CG2 4.4Å; L786-I804 HydrophobicContact CD1-CD1 3.5Å; L786-I804 VanDerWaalsContact CD1-CD1 3.5Å; F802-I804 HydrophobicContact CB-CD1 4.36Å; F802-I804 HydrophobicContact CB-CG1 4.37Å; F802-I804 HydrophobicContact CD1-CD1 4.5Å; I804-P806 WeakPolarHBondContact O-CD 3.49Å
805	I	92.4	Very high	88.6	Confident	32 Å²	32	22.8 Å²	22.8	16%	0.164	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	85.7	176.6	-58.2	171.3	0	0	0	106.8	I764 T765 A766 M807 L808 V845 L848	I764-I805 PolarHBondContact O-N 3.21Å; T765-I805 HydrophobicContact CG2-CB 4.2Å; T765-I805 HydrophobicContact CG2-CD1 4.26Å; A766-I805 PolarHBondContact N-O 3.12Å; I805-M807 PolarHBondContact O-N 2.75Å; I805-L808 HydrophobicContact CG2-CD1 3.88Å; I805-V845 HydrophobicContact CD1-CG2 3.78Å; I805-L848 HydrophobicContact CD1-CD2 4.01Å
806	P	91.2	Very high	88.6	Confident	13 Å²	13	21.7 Å²	21.7	8%	0.084	11%	0.109	C	C	.	.	S	Bend	trans	-70.9	-11.9	-167.7	27.4	-35.4	0	0	0	114.4	L721 I725 L747 R767 T779 I804	L721-P806 HydrophobicContact CD1-CB 3.7Å; L721-P806 HydrophobicContact CD1-CG 3.59Å; L721-P806 HydrophobicContact CD2-CG 4.31Å; L721-P806 HydrophobicContact CG-CG 4.47Å; I725-P806 HydrophobicContact CD1-CG 4.12Å; L747-P806 HydrophobicContact CD1-CG 4.48Å; R767-P806 WeakPolarHBondContact CG-O 3.44Å; T779-P806 HydrophobicContact CG2-CB 3.76Å; I804-P806 WeakPolarHBondContact O-CD 3.49Å
807	M	91.3	Very high	88.7	Confident	14 Å²	14	21.8 Å²	21.8	7%	0.069	11%	0.109	C	C	.	.			trans	-150.5	103.3	172.1	-170.1	176.6	-68.4	0	0	112.2	Y716 Y718 L721 R767 I805 P810 V813	Y716-M807 HydrophobicContact CD1-CE 3.91Å; Y716-M807 HydrophobicContact CE1-CE 4.15Å; Y718-M807 HydrophobicContact CD2-SD 4.34Å; Y718-M807 HydrophobicContact CG-SD 4.48Å; L721-M807 HydrophobicContact CB-CE 4.3Å; L721-M807 HydrophobicContact CD2-CB 3.55Å; L721-M807 HydrophobicContact CD2-CE 4.2Å; L721-M807 HydrophobicContact CD2-CG 4.5Å; L721-M807 HydrophobicContact CD2-SD 4.24Å; R767-M807 HydrophobicContact CB-CB 4.32Å; R767-M807 HydrophobicContact CB-CG 3.87Å; R767-M807 HydrophobicContact CG-CB 4.38Å; R767-M807 HydrophobicContact CG-CE 4.49Å; R767-M807 HydrophobicContact CG-CG 4.2Å; I805-M807 PolarHBondContact O-N 2.75Å; M807-P810 HydrophobicContact CG-CB 4.1Å; M807-P810 HydrophobicContact SD-CB 3.79Å; M807-V813 HydrophobicContact CE-CG1 4.19Å; M807-V813 HydrophobicContact CE-CG2 4.12Å; M807-V813 HydrophobicContact CG-CG2 4.12Å; M807-V813 HydrophobicContact SD-CB 3.97Å; M807-V813 HydrophobicContact SD-CG1 4.19Å; M807-V813 HydrophobicContact SD-CG2 3.67Å
808	L	91.9	Very high	89.1	Confident	6 Å²	6	21.8 Å²	21.8	3%	0.031	11%	0.109	C	C	.	.	S	Bend	trans	-85.2	-13.4	-176.4	-165.9	66.5	0	0	0	114.3	T765 A766 V768 I805 P810 Y831 T841 V845	T765-L808 HydrophobicContact CG2-CD2 4.48Å; A766-L808 WeakPolarHBondContact O-CB 3.39Å; A766-L808 PolarHBondContact O-N 3.32Å; V768-L808 HydrophobicContact CB-CB 4.31Å; V768-L808 HydrophobicContact CB-CD2 4.02Å; V768-L808 HydrophobicContact CG2-CD2 3.94Å; I805-L808 HydrophobicContact CG2-CD1 3.88Å; L808-P810 VanDerWaalsContact C-CD 3.5Å; L808-Y831 WeakPolarHBondContact CD2-OH 3.46Å; L808-T841 WeakPolarHBondContact O-CB 3.33Å; L808-T841 WeakPolarHBondContact O-CG2 3.25Å; L808-T841 PolarHBondContact O-OG1 2.87Å; L808-T841 VanDerWaalsContact O-OG1 3.13Å; L808-V845 HydrophobicContact CD1-CG2 3.45Å; L808-V845 VanDerWaalsContact CD1-CG2 3.45Å; L808-V845 HydrophobicContact CD2-CG2 4.25Å
809	N	89.7	Confident	89.4	Confident	6 Å²	6	16.2 Å²	16.2	3%	0.032	8%	0.084	C	C	.	.			trans	-132.9	55.2	-179.6	-164.1	-2.5	0	0	0	112.4	R767 V768 P770 D811 G812 V813 C820 S821 L827	R767-N809 VanDerWaalsContact O-CB 3.25Å; R767-N809 WeakPolarHBondContact O-CB 3.49Å; R767-N809 PolarHBondContact O-N 2.85Å; V768-N809 WeakPolarHBondContact O-CB 3.27Å; V768-N809 PolarHBondContact O-ND2 3.32Å; P770-N809 HydrophobicContact CG-CB 4.21Å; P770-N809 WeakPolarHBondContact CG-ND2 3.21Å; N809-D811 VanDerWaalsContact C-N 3.32Å; N809-D811 PolarHBondContact O-N 2.95Å; N809-G812 PolarHBondContact O-N 3.12Å; N809-G812 PolarHBondContact OD1-N 3.42Å; N809-V813 PolarHBondContact O-N 3.13Å; N809-V813 VanDerWaalsContact O-N 3.16Å; N809-C820 PolarHBondContact ND2-O 3Å; N809-S821 PolarHBondContact ND2-N 3.38Å; N809-L827 HydrophobicContact CB-CD1 3.91Å
810	P	87.2	Confident	89.5	Confident	28 Å²	28	13 Å²	13	18%	0.182	7%	0.07	C	C	.	.	H	α-helix	trans	-62.5	-38	-174.4	26.7	-35.1	0	0	0	112.4	Y718 M807 L808 G812 V813 I814	Y718-P810 HydrophobicContact CD2-CB 3.91Å; Y718-P810 HydrophobicContact CE2-CB 4.29Å; Y718-P810 HydrophobicContact CG-CB 4.22Å; M807-P810 HydrophobicContact CG-CB 4.1Å; M807-P810 HydrophobicContact SD-CB 3.79Å; L808-P810 VanDerWaalsContact C-CD 3.5Å; P810-G812 PolarHBondContact O-N 3.17Å; P810-V813 WeakPolarHBondContact O-CA 3.15Å; P810-V813 WeakPolarHBondContact O-CB 3.27Å; P810-V813 PolarHBondContact O-N 2.95Å; P810-I814 WeakPolarHBondContact O-CG1 3.48Å; P810-I814 PolarHBondContact O-N 3.5Å
811	D	82	Confident	89.3	Confident	39 Å²	39	13.5 Å²	13.5	21%	0.209	7%	0.073	C	C	.	.	H	α-helix	trans	-54.8	-39	173.3	-75.1	-9.1	0	0	0	112.2	S119 N809 V815 L822	S119-D811 PolarHBondContact OG-OD1 3.2Å; N809-D811 VanDerWaalsContact C-N 3.32Å; N809-D811 PolarHBondContact O-N 2.95Å; D811-V815 WeakPolarHBondContact O-CG2 3.2Å; D811-L822 HydrophobicContact CB-CD1 3.78Å; D811-L822 HydrophobicContact CB-CD2 4.36Å; D811-L822 HydrophobicContact CB-CG 3.82Å
812	G	86.1	Confident	88.8	Confident	0 Å²	0	14.3 Å²	14.3	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-73	-30.4	175.4	0	0	0	0	0	113.5	P770 N809 P810 G816 N817	P770-G812 WeakPolarHBondContact CB-O 3.46Å; P770-G812 VanDerWaalsContact CG-C 3.49Å; N809-G812 PolarHBondContact O-N 3.12Å; N809-G812 PolarHBondContact OD1-N 3.42Å; P810-G812 PolarHBondContact O-N 3.17Å; G812-G816 PolarHBondContact O-N 3.44Å; G812-N817 WeakPolarHBondContact O-CB 3.3Å; G812-N817 PolarHBondContact O-N 3.13Å
813	V	87.8	Confident	88.3	Confident	1 Å²	1	16.8 Å²	16.8	1%	0.006	9%	0.093	C	C	.	.	H	α-helix	trans	-68.4	-52.1	176.6	172.6	0	0	0	0	108.8	S591 P770 M807 N809 P810 V815 G816	S591-V813 WeakPolarHBondContact CA-O 3.23Å; S591-V813 PolarHBondContact N-O 3.1Å; S591-V813 VanDerWaalsContact OG-CG1 3.29Å; S591-V813 WeakPolarHBondContact OG-CG1 3.36Å; S591-V813 PolarHBondContact OG-O 3.4Å; P770-V813 HydrophobicContact CB-CB 4.33Å; P770-V813 HydrophobicContact CB-CG2 3.66Å; M807-V813 HydrophobicContact CE-CG1 4.19Å; M807-V813 HydrophobicContact CE-CG2 4.12Å; M807-V813 HydrophobicContact CG-CG2 4.12Å; M807-V813 HydrophobicContact SD-CB 3.97Å; M807-V813 HydrophobicContact SD-CG1 4.19Å; M807-V813 HydrophobicContact SD-CG2 3.67Å; N809-V813 PolarHBondContact O-N 3.13Å; N809-V813 VanDerWaalsContact O-N 3.16Å; P810-V813 WeakPolarHBondContact O-CA 3.15Å; P810-V813 WeakPolarHBondContact O-CB 3.27Å; P810-V813 PolarHBondContact O-N 2.95Å; V813-V815 PolarHBondContact O-N 3.31Å; V813-V815 VanDerWaalsContact O-N 3.1Å; V813-G816 PolarHBondContact O-N 3.16Å
814	I	81.9	Confident	88.1	Confident	20 Å²	20	16.6 Å²	16.6	10%	0.103	10%	0.097	C	C	.	.	H	α-helix	trans	-51.3	-40.6	-179	-65.5	162.2	0	0	0	112	E590 S591 Y718 P810	E590-I814 HydrophobicContact CG-CB 4.42Å; E590-I814 HydrophobicContact CG-CG1 4.26Å; E590-I814 HydrophobicContact CG-CG2 4.46Å; S591-I814 PolarHBondContact N-O 3.46Å; Y718-I814 HydrophobicContact CD1-CD1 3.67Å; Y718-I814 HydrophobicContact CD1-CG1 3.97Å; Y718-I814 HydrophobicContact CE1-CD1 4Å; Y718-I814 HydrophobicContact CG-CD1 4.47Å; P810-I814 WeakPolarHBondContact O-CG1 3.48Å; P810-I814 PolarHBondContact O-N 3.5Å
815	V	83.4	Confident	87.9	Confident	52 Å²	52	23.2 Å²	23.2	32%	0.315	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.9	2.9	-177.2	-54.6	0	0	0	0	115.5	L613 D811 V813 N817 L822	L613-V815 HydrophobicContact CD1-CB 3.99Å; L613-V815 HydrophobicContact CD1-CG1 4.14Å; L613-V815 HydrophobicContact CD1-CG2 3.8Å; L613-V815 HydrophobicContact CG-CG2 4.32Å; D811-V815 WeakPolarHBondContact O-CG2 3.2Å; V813-V815 PolarHBondContact O-N 3.31Å; V813-V815 VanDerWaalsContact O-N 3.1Å; V815-N817 HydrophobicContact CG2-CB 4.38Å; V815-L822 HydrophobicContact CB-CD2 4.48Å; V815-L822 HydrophobicContact CG1-CD2 3.97Å; V815-L822 HydrophobicContact CG2-CD2 3.7Å
816	G	88.8	Confident	87.9	Confident	1 Å²	1	22.7 Å²	22.7	1%	0.01	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.5	28.4	178.6	0	0	0	0	0	115.3	N593 G812 V813	N593-G816 PolarHBondContact ND2-O 3.42Å; G812-G816 PolarHBondContact O-N 3.44Å; V813-G816 PolarHBondContact O-N 3.16Å
817	N	91.1	Very high	88	Confident	3 Å²	3	22.2 Å²	22.2	2%	0.016	12%	0.116	C	C	.	.			trans	-70.2	152.9	171	-80	-4.2	0	0	0	110.9	D612 L613 P770 G771 G812 V815 C820	D612-N817 WeakPolarHBondContact CA-OD1 3.32Å; D612-N817 HydrophobicContact CB-CB 4.5Å; L613-N817 PolarHBondContact N-OD1 2.98Å; P770-N817 CarbonylContact C-O 3.56Å; P770-N817 HydrophobicContact CB-CB 4.42Å; P770-N817 WeakPolarHBondContact CB-O 3.43Å; P770-N817 HydrophobicContact CG-CB 4.03Å; G771-N817 PolarHBondContact N-O 3.47Å; G812-N817 WeakPolarHBondContact O-CB 3.3Å; G812-N817 PolarHBondContact O-N 3.13Å; V815-N817 HydrophobicContact CG2-CB 4.38Å; N817-C820 PolarHBondContact ND2-O 2.72Å
818	Y	94	Very high	88.2	Confident	8 Å²	8	21.8 Å²	21.8	3%	0.031	11%	0.113	C	C	.	.	S	Bend	trans	-87.6	-43.4	169.2	-180	-110.6	0	0	0	113	D612 Q620 W621 K644 Y712 P770 G771 F949	D612-Y818 PolarHBondContact OD1-N 3.13Å; Q620-Y818 HydrophobicContact CB-CD1 3.83Å; Q620-Y818 HydrophobicContact CB-CD2 3.8Å; Q620-Y818 HydrophobicContact CB-CE1 4.02Å; Q620-Y818 HydrophobicContact CB-CE2 4.02Å; Q620-Y818 HydrophobicContact CB-CG 3.74Å; Q620-Y818 HydrophobicContact CG-CD2 4.3Å; Q620-Y818 HydrophobicContact CG-CE1 4.45Å; Q620-Y818 HydrophobicContact CG-CE2 4.06Å; W621-Y818 HydrophobicContact CB-CD2 4.05Å; W621-Y818 HydrophobicContact CB-CG 4.43Å; K644-Y818 PolarHBondContact NZ-OH 3.33Å; Y712-Y818 HydrophobicContact CE1-CE2 4.27Å; P770-Y818 WeakPolarHBondContact CD-O 3.14Å; G771-Y818 PolarHBondContact N-O 2.75Å; Y818-F949 HydrophobicContact CE2-CZ 4.33Å
819	R	92.2	Very high	88.2	Confident	17 Å²	17	24 Å²	24	6%	0.064	12%	0.121	C	C	.	.	S	Bend	trans	-126.6	-40.4	-165.2	-166.8	69	-174.4	-173.1	0.7	115.3	D612 H618 H769 E772 D826 D1150	D612-R819 WeakPolarHBondContact OD2-CA 3.33Å; D612-R819 WeakPolarHBondContact OD2-CB 3.36Å; D612-R819 PolarHBondContact OD2-N 3.15Å; H618-R819 HydrophobicContact CB-CB 4.07Å; H769-R819 PolarHBondContact CD2-NE 2.94Å; H769-R819 PolarHBondContact CD2-O 3Å; H769-R819 PolarHBondContact CE1-NH1 2.79Å; H769-R819 PolarHBondContact CE1-NH2 3.26Å; H769-R819 PolarHBondContact ND1-NH1 2.99Å; H769-R819 VanDerWaalsContact ND1-NH1 3.11Å; H769-R819 PolarHBondContact NE2-NE 3.33Å; H769-R819 PolarHBondContact NE2-NH2 2.94Å; E772-R819 IonicContact OE1-CZ 3.91Å; E772-R819 IonicContact OE1-NH1 3.2Å; E772-R819 PolarHBondContact OE1-NH1 2.97Å; R819-D826 IonicContact CZ-OD2 3.26Å; R819-D826 VanDerWaalsContact CZ-OD2 3.32Å; R819-D826 IonicContact NE-OD2 3.23Å; R819-D826 PolarHBondContact NE-OD2 3.09Å; R819-D826 IonicContact NH2-OD2 3.43Å; R819-D826 PolarHBondContact NH2-OD2 3.14Å; R819-D1150 IonicContact NH2-OD2 3.32Å
820	C	90.2	Very high	88.3	Confident	1 Å²	1	25.8 Å²	25.8	1%	0.007	13%	0.131	C	C	.	.			trans	-96.7	154.6	-165.5	-71.6	0	0	0	0	114.3	D612 T615 H618 N809 N817 R825	D612-C820 HydrophobicContact CB-CB 4.21Å; D612-C820 WeakPolarHBondContact OD2-CB 3.32Å; D612-C820 PolarHBondContact OD2-N 3.29Å; T615-C820 HydrophobicContact CG2-CB 4.41Å; H618-C820 PolarHBondContact CD2-SG 2.79Å; N809-C820 PolarHBondContact ND2-O 3Å; N817-C820 PolarHBondContact ND2-O 2.72Å; C820-R825 WeakPolarHBondContact CA-O 3.47Å; C820-R825 VanDerWaalsContact SG-C 3.56Å
821	S	86.3	Confident	88.7	Confident	10 Å²	10	24.4 Å²	24.4	7%	0.07	12%	0.122	C	C	.	.	B	Isolated β-bridge	trans	-65.2	166	153.7	61.9	0	0	0	0	111.4	N809 T823 G824 R825	N809-S821 PolarHBondContact ND2-N 3.38Å; S821-T823 PolarHBondContact O-N 2.93Å; S821-T823 PolarHBondContact OG-OG1 3.25Å; S821-G824 PolarHBondContact O-N 3.14Å; S821-R825 PolarHBondContact N-O 3.24Å; S821-R825 PolarHBondContact OG-O 2.88Å
822	L	80.2	Confident	89.2	Confident	17 Å²	17	29.9 Å²	29.9	9%	0.089	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-14.5	176.4	-55.4	-174.9	0	0	0	114.6	R114 L613 Y614 D811 V815 G824	R114-L822 HydrophobicContact CB-CD1 3.83Å; R114-L822 PolarHBondContact NH1-O 3.43Å; R114-L822 WeakPolarHBondContact O-CD1 3.42Å; L613-L822 HydrophobicContact CD1-CD2 3.94Å; Y614-L822 VanDerWaalsContact CD2-O 3.23Å; Y614-L822 WeakPolarHBondContact CD2-O 3.29Å; D811-L822 HydrophobicContact CB-CD1 3.78Å; D811-L822 HydrophobicContact CB-CD2 4.36Å; D811-L822 HydrophobicContact CB-CG 3.82Å; V815-L822 HydrophobicContact CB-CD2 4.48Å; V815-L822 HydrophobicContact CG1-CD2 3.97Å; V815-L822 HydrophobicContact CG2-CD2 3.7Å; L822-G824 PolarHBondContact O-N 3.33Å
823	T	82.6	Confident	89.4	Confident	53 Å²	53	38.2 Å²	38.2	33%	0.325	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	0.9	176.3	68	0	0	0	0	113.7	S821 R825 V838	S821-T823 PolarHBondContact O-N 2.93Å; S821-T823 PolarHBondContact OG-OG1 3.25Å; T823-R825 WeakPolarHBondContact OG1-CB 3.46Å; T823-R825 VanDerWaalsContact OG1-CG 3.29Å; T823-R825 WeakPolarHBondContact OG1-CG 3.5Å; T823-V838 HydrophobicContact CG2-CG1 4.06Å
824	G	85.8	Confident	89.6	Confident	17 Å²	17	39 Å²	39	18%	0.175	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.3	35.3	-172.3	0	0	0	0	0	112.1	L613 S821 L822	L613-G824 WeakPolarHBondContact O-CA 3.28Å; S821-G824 PolarHBondContact O-N 3.14Å; L822-G824 PolarHBondContact O-N 3.33Å
825	R	89.7	Confident	89.8	Confident	150 Å²	150	44.9 Å²	44.9	57%	0.566	21%	0.205	S	C	*	.	B	Isolated β-bridge	trans	-133.3	129.9	-176	-59.6	-65.3	-177.4	168.4	1	112.2	C820 S821 T823 L827 F839	C820-R825 WeakPolarHBondContact CA-O 3.47Å; C820-R825 VanDerWaalsContact SG-C 3.56Å; S821-R825 PolarHBondContact N-O 3.24Å; S821-R825 PolarHBondContact OG-O 2.88Å; T823-R825 WeakPolarHBondContact OG1-CB 3.46Å; T823-R825 VanDerWaalsContact OG1-CG 3.29Å; T823-R825 WeakPolarHBondContact OG1-CG 3.5Å; R825-L827 PolarHBondContact O-N 3.04Å; R825-F839 HydrophobicContact CB-CE1 3.82Å; R825-F839 HydrophobicContact CB-CZ 4.21Å; R825-F839 HydrophobicContact CG-CE1 4Å; R825-F839 HydrophobicContact CG-CZ 4.07Å
826	D	93.2	Very high	90.1	Very high	20 Å²	20	47.1 Å²	47.1	11%	0.107	21%	0.21	C	C	.	.			trans	-59.6	119.8	161.4	-178.6	-44.3	0	0	0	109.2	H769 R819 N828 R829 N830	H769-D826 IonicContact NE2-OD1 2.69Å; H769-D826 IonicContact NE2-OD2 2.85Å; R819-D826 IonicContact CZ-OD2 3.26Å; R819-D826 VanDerWaalsContact CZ-OD2 3.32Å; R819-D826 IonicContact NE-OD2 3.23Å; R819-D826 PolarHBondContact NE-OD2 3.09Å; R819-D826 IonicContact NH2-OD2 3.43Å; R819-D826 PolarHBondContact NH2-OD2 3.14Å; D826-N828 VanDerWaalsContact OD1-C 3.3Å; D826-N828 VanDerWaalsContact OD1-CA 3.26Å; D826-N828 WeakPolarHBondContact OD1-CA 3.3Å; D826-N828 WeakPolarHBondContact OD1-CB 3.32Å; D826-N828 PolarHBondContact OD1-N 3.35Å; D826-R829 HydrophobicContact CB-CB 4.45Å; D826-R829 HydrophobicContact CB-CG 4.01Å; D826-R829 PolarHBondContact O-N 2.96Å; D826-R829 PolarHBondContact OD1-N 3.31Å; D826-R829 VanDerWaalsContact OD1-N 3.1Å; D826-N830 PolarHBondContact O-ND2 2.74Å
827	L	92.4	Very high	89.7	Confident	4 Å²	4	51.5 Å²	51.5	2%	0.021	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-73.1	-33.7	-178.6	-72.8	-179.1	0	0	0	112	V768 N809 R825 R829 N830 F839 V842	V768-L827 HydrophobicContact CG2-CB 3.52Å; V768-L827 HydrophobicContact CG2-CD1 4.46Å; N809-L827 HydrophobicContact CB-CD1 3.91Å; R825-L827 PolarHBondContact O-N 3.04Å; L827-R829 PolarHBondContact O-N 3.18Å; L827-R829 VanDerWaalsContact O-N 3.11Å; L827-N830 PolarHBondContact O-N 3.07Å; L827-N830 VanDerWaalsContact O-N 3.07Å; L827-F839 HydrophobicContact CD2-CB 4.29Å; L827-F839 HydrophobicContact CD2-CD1 3.64Å; L827-F839 HydrophobicContact CD2-CE1 4.41Å; L827-F839 HydrophobicContact CD2-CG 4.29Å; L827-V842 HydrophobicContact CB-CG2 3.69Å; L827-V842 HydrophobicContact CD1-CG2 4.34Å; L827-V842 HydrophobicContact CD2-CG2 3.9Å; L827-V842 HydrophobicContact CG-CG2 4.18Å
828	N	95.1	Very high	89.2	Confident	4 Å²	4	53.2 Å²	53.2	2%	0.021	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-74.6	8.6	175.7	-160.1	14.6	0	0	0	113.5	V768 D826 Y831 H865 T928 S929	V768-N828 HydrophobicContact CG1-CB 4.33Å; V768-N828 HydrophobicContact CG2-CB 4.18Å; D826-N828 VanDerWaalsContact OD1-C 3.3Å; D826-N828 VanDerWaalsContact OD1-CA 3.26Å; D826-N828 WeakPolarHBondContact OD1-CA 3.3Å; D826-N828 WeakPolarHBondContact OD1-CB 3.32Å; D826-N828 PolarHBondContact OD1-N 3.35Å; N828-Y831 HydrophobicContact CB-CE2 4.45Å; N828-H865 PolarHBondContact ND2-CE1 3.36Å; N828-T928 WeakPolarHBondContact O-CA 3.28Å; N828-T928 VanDerWaalsContact OD1-CA 3.23Å; N828-T928 WeakPolarHBondContact OD1-CA 3.35Å; N828-T928 WeakPolarHBondContact OD1-CB 3.39Å; N828-S929 PolarHBondContact OD1-N 3.28Å; N828-S929 PolarHBondContact OD1-OG 3.21Å
829	R	93.1	Very high	88.7	Confident	52 Å²	52	53.7 Å²	53.7	20%	0.196	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-109.7	6.8	166.3	-55.9	-63.6	166	-102	8	113.2	D826 L827 A927 D1150	D826-R829 HydrophobicContact CB-CB 4.45Å; D826-R829 HydrophobicContact CB-CG 4.01Å; D826-R829 PolarHBondContact O-N 2.96Å; D826-R829 PolarHBondContact OD1-N 3.31Å; D826-R829 VanDerWaalsContact OD1-N 3.1Å; L827-R829 PolarHBondContact O-N 3.18Å; L827-R829 VanDerWaalsContact O-N 3.11Å; R829-A927 CarbonylContact C-O 3.48Å; R829-A927 WeakPolarHBondContact O-CB 3.33Å; R829-D1150 IonicContact CZ-OD2 3.46Å; R829-D1150 IonicContact NE-OD2 2.74Å; R829-D1150 PolarHBondContact NE-OD2 2.9Å; R829-D1150 PolarHBondContact NH2-O 3.08Å; R829-D1150 VanDerWaalsContact NH2-O 3.15Å; R829-D1150 IonicContact NH2-OD1 2.76Å; R829-D1150 IonicContact NH2-OD2 2.81Å; R829-D1150 PolarHBondContact NH2-OD2 3.43Å
830	N	92.1	Very high	88.4	Confident	44 Å²	44	55 Å²	55	24%	0.235	26%	0.257	C	S	.	.			trans	-121.1	6.7	-172.9	-74.8	-81.3	0	0	0	115.3	D826 L827 R832 P834 F839	D826-N830 PolarHBondContact O-ND2 2.74Å; L827-N830 PolarHBondContact O-N 3.07Å; L827-N830 VanDerWaalsContact O-N 3.07Å; N830-R832 VanDerWaalsContact C-N 3.28Å; N830-R832 PolarHBondContact O-N 3.36Å; N830-P834 WeakPolarHBondContact O-CD 3.46Å; N830-F839 HydrophobicContact CB-CD2 3.81Å; N830-F839 HydrophobicContact CB-CE2 3.84Å; N830-F839 HydrophobicContact CB-CG 4.31Å; N830-F839 HydrophobicContact CB-CZ 4.36Å; N830-F839 VanDerWaalsContact CG-CE2 3.45Å; N830-F839 WeakPolarHBondContact OD1-CE2 3.31Å
831	Y	95.2	Very high	88.3	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	27%	0.27	C	S	.	.			trans	-66.5	-20.8	-177.8	-82.3	-89	0	0	0	115	L808 N828 P834 V842 V845 K846 A927 S929 F933	L808-Y831 WeakPolarHBondContact CD2-OH 3.46Å; N828-Y831 HydrophobicContact CB-CE2 4.45Å; Y831-P834 VanDerWaalsContact O-CD 3.27Å; Y831-P834 WeakPolarHBondContact O-CD 3.46Å; Y831-V842 HydrophobicContact CD1-CG1 3.54Å; Y831-V842 HydrophobicContact CD2-CG1 3.89Å; Y831-V842 HydrophobicContact CE1-CB 4.46Å; Y831-V842 HydrophobicContact CE1-CG1 3.71Å; Y831-V842 HydrophobicContact CE2-CG1 4.06Å; Y831-V842 HydrophobicContact CE2-CG2 4.34Å; Y831-V842 HydrophobicContact CG-CG1 3.65Å; Y831-V845 HydrophobicContact CE1-CB 4.31Å; Y831-V845 HydrophobicContact CE1-CG1 4.19Å; Y831-K846 WeakPolarHBondContact O-CD 3.19Å; Y831-K846 PolarHBondContact O-NZ 3.39Å; Y831-A927 PolarHBondContact N-O 2.8Å; Y831-S929 VanDerWaalsContact CD2-N 3.26Å; Y831-F933 HydrophobicContact CD1-CE1 4.03Å; Y831-F933 HydrophobicContact CD1-CE2 4.04Å; Y831-F933 AromaticContact CD1-CZ 3.42Å; Y831-F933 HydrophobicContact CD1-CZ 3.42Å; Y831-F933 VanDerWaalsContact CD1-CZ 3.42Å; Y831-F933 AromaticContact CE1-CE2 3.87Å; Y831-F933 HydrophobicContact CE1-CE2 3.87Å; Y831-F933 AromaticContact CE1-CZ 3.5Å; Y831-F933 HydrophobicContact CE1-CZ 3.5Å
832	R	91.3	Very high	88.5	Confident	154 Å²	154	56.7 Å²	56.7	58%	0.581	27%	0.267	S	S	*	.	S	Bend	trans	-64.8	-49.3	-177.1	-169.8	175	177.9	170.7	0.5	112.6	N830 K846 A927 V932	N830-R832 VanDerWaalsContact C-N 3.28Å; N830-R832 PolarHBondContact O-N 3.36Å; R832-K846 PolarHBondContact O-NZ 3.15Å; R832-A927 HydrophobicContact CB-CB 4.47Å; R832-V932 HydrophobicContact CB-CG2 4.23Å
833	Q	91.4	Very high	89.2	Confident	174 Å²	174	59.6 Å²	59.6	81%	0.813	28%	0.276	S	S	*	.	S	Bend	trans	-140.6	67.2	176.6	-70.4	-175.3	-15.5	0	0	110.5
834	P	90.8	Very high	89.5	Confident	17 Å²	17	60.1 Å²	60.1	11%	0.11	28%	0.28	C	S	.	.			trans	-66.5	137.7	-178.5	28	-34.9	0	0	0	110.2	N830 Y831 F839 V842 W843 K846	N830-P834 WeakPolarHBondContact O-CD 3.46Å; Y831-P834 VanDerWaalsContact O-CD 3.27Å; Y831-P834 WeakPolarHBondContact O-CD 3.46Å; P834-F839 HydrophobicContact CB-CB 4.46Å; P834-V842 HydrophobicContact CB-CB 4.25Å; P834-V842 HydrophobicContact CB-CG1 3.76Å; P834-V842 HydrophobicContact CG-CG1 4.22Å; P834-W843 HydrophobicContact CB-CB 4.12Å; P834-W843 HydrophobicContact CG-CB 4.26Å; P834-K846 HydrophobicContact CG-CB 4.41Å; P834-K846 HydrophobicContact CG-CD 4.03Å
835	R	87	Confident	89.8	Confident	144 Å²	144	59.4 Å²	59.4	54%	0.543	27%	0.272	S	S	.	.			trans	-90.4	120.4	175.2	-95.8	-179.1	68.3	-176.6	0.8	109.3	D837 V838 F839	R835-D837 VanDerWaalsContact CB-OD1 3.32Å; R835-D837 WeakPolarHBondContact CB-OD1 3.34Å; R835-D837 IonicContact CZ-OD1 2.88Å; R835-D837 IonicContact CZ-OD2 3.95Å; R835-D837 IonicContact NE-OD1 3.65Å; R835-D837 PolarHBondContact NE-OD1 2.81Å; R835-D837 IonicContact NE-OD2 2.88Å; R835-D837 PolarHBondContact NE-OD2 2.76Å; R835-D837 IonicContact NH2-OD1 3.62Å; R835-D837 IonicContact NH2-OD2 3.32Å; R835-D837 PolarHBondContact NH2-OD2 3.25Å; R835-D837 PolarHBondContact O-N 2.97Å; R835-D837 VanDerWaalsContact O-N 3.11Å; R835-V838 HydrophobicContact CB-CB 4.07Å; R835-V838 HydrophobicContact CB-CG2 4.08Å; R835-V838 PolarHBondContact O-N 3.23Å; R835-F839 CarbonylContact O-C 3.58Å; R835-F839 PolarHBondContact O-N 2.94Å
836	K	88.9	Confident	90.1	Very high	99 Å²	99	53 Å²	53	43%	0.43	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-32.1	179.5	-173.3	178.7	179.3	-176.8	0	112.6	P840 W843	K836-P840 WeakPolarHBondContact O-CA 3.5Å; K836-P840 WeakPolarHBondContact O-CB 3.34Å; K836-W843 HydrophobicContact CB-CB 4.47Å; K836-W843 HydrophobicContact CB-CD2 3.78Å; K836-W843 HydrophobicContact CB-CE3 4.3Å; K836-W843 HydrophobicContact CB-CG 3.83Å; K836-W843 HydrophobicContact CD-CD2 4.12Å; K836-W843 HydrophobicContact CD-CE3 3.91Å; K836-W843 HydrophobicContact CD-CH2 3.9Å; K836-W843 HydrophobicContact CD-CZ2 4.08Å; K836-W843 HydrophobicContact CD-CZ3 3.81Å; K836-W843 HydrophobicContact CG-CD2 3.81Å; K836-W843 HydrophobicContact CG-CE3 3.78Å; K836-W843 HydrophobicContact CG-CG 4.27Å; K836-W843 HydrophobicContact CG-CZ3 4.21Å
837	D	80.6	Confident	90.2	Very high	93 Å²	93	55 Å²	55	50%	0.497	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-6.5	-178	63.4	-42.6	0	0	0	115	R835	R835-D837 VanDerWaalsContact CB-OD1 3.32Å; R835-D837 WeakPolarHBondContact CB-OD1 3.34Å; R835-D837 IonicContact CZ-OD1 2.88Å; R835-D837 IonicContact CZ-OD2 3.95Å; R835-D837 IonicContact NE-OD1 3.65Å; R835-D837 PolarHBondContact NE-OD1 2.81Å; R835-D837 IonicContact NE-OD2 2.88Å; R835-D837 PolarHBondContact NE-OD2 2.76Å; R835-D837 IonicContact NH2-OD1 3.62Å; R835-D837 IonicContact NH2-OD2 3.32Å; R835-D837 PolarHBondContact NH2-OD2 3.25Å; R835-D837 PolarHBondContact O-N 2.97Å; R835-D837 VanDerWaalsContact O-N 3.11Å
838	V	80.7	Confident	90.2	Very high	39 Å²	39	56.4 Å²	56.4	24%	0.236	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-128.5	-33.4	-177.6	-170.9	0	0	0	0	112.3	T823 R835 P840	T823-V838 HydrophobicContact CG2-CG1 4.06Å; R835-V838 HydrophobicContact CB-CB 4.07Å; R835-V838 HydrophobicContact CB-CG2 4.08Å; R835-V838 PolarHBondContact O-N 3.23Å; V838-P840 VanDerWaalsContact C-CD 3.45Å
839	F	84.8	Confident	90.2	Very high	19 Å²	19	56.2 Å²	56.2	8%	0.083	26%	0.264	C	S	.	.			trans	-130.2	60	179.6	-48.9	-53.1	0	0	0	110	R825 L827 N830 P834 R835 T841 V842 W843	R825-F839 HydrophobicContact CB-CE1 3.82Å; R825-F839 HydrophobicContact CB-CZ 4.21Å; R825-F839 HydrophobicContact CG-CE1 4Å; R825-F839 HydrophobicContact CG-CZ 4.07Å; L827-F839 HydrophobicContact CD2-CB 4.29Å; L827-F839 HydrophobicContact CD2-CD1 3.64Å; L827-F839 HydrophobicContact CD2-CE1 4.41Å; L827-F839 HydrophobicContact CD2-CG 4.29Å; N830-F839 HydrophobicContact CB-CD2 3.81Å; N830-F839 HydrophobicContact CB-CE2 3.84Å; N830-F839 HydrophobicContact CB-CG 4.31Å; N830-F839 HydrophobicContact CB-CZ 4.36Å; N830-F839 VanDerWaalsContact CG-CE2 3.45Å; N830-F839 WeakPolarHBondContact OD1-CE2 3.31Å; P834-F839 HydrophobicContact CB-CB 4.46Å; R835-F839 CarbonylContact O-C 3.58Å; R835-F839 PolarHBondContact O-N 2.94Å; F839-T841 VanDerWaalsContact C-N 3.33Å; F839-T841 PolarHBondContact O-N 2.76Å; F839-V842 HydrophobicContact CB-CB 4.21Å; F839-V842 PolarHBondContact O-N 3.1Å; F839-W843 WeakPolarHBondContact O-CB 3.43Å; F839-W843 PolarHBondContact O-N 2.9Å
840	P	84.2	Confident	90.3	Very high	43 Å²	43	58.3 Å²	58.3	28%	0.279	27%	0.274	S	S	.	.	H	α-helix	trans	-57.9	-42	-173.1	21.5	-32.8	0	0	0	112.7	K836 V838 W843 T844	K836-P840 WeakPolarHBondContact O-CA 3.5Å; K836-P840 WeakPolarHBondContact O-CB 3.34Å; V838-P840 VanDerWaalsContact C-CD 3.45Å; P840-W843 PolarHBondContact O-N 3.39Å; P840-T844 WeakPolarHBondContact O-CB 3.5Å; P840-T844 PolarHBondContact O-N 3.43Å; P840-T844 PolarHBondContact O-OG1 2.78Å
841	T	87.8	Confident	90.4	Very high	47 Å²	47	61.3 Å²	61.3	29%	0.288	28%	0.282	S	S	.	.	H	α-helix	trans	-62.9	-52.9	-178.4	58.4	0	0	0	0	111.7	L808 F839 W843 T844 V845	L808-T841 WeakPolarHBondContact O-CB 3.33Å; L808-T841 WeakPolarHBondContact O-CG2 3.25Å; L808-T841 PolarHBondContact O-OG1 2.87Å; L808-T841 VanDerWaalsContact O-OG1 3.13Å; F839-T841 VanDerWaalsContact C-N 3.33Å; F839-T841 PolarHBondContact O-N 2.76Å; T841-W843 VanDerWaalsContact C-N 3.31Å; T841-W843 PolarHBondContact O-N 2.7Å; T841-T844 PolarHBondContact O-N 3.04Å; T841-T844 VanDerWaalsContact O-N 3.14Å; T841-V845 WeakPolarHBondContact O-CG2 3.17Å; T841-V845 PolarHBondContact O-N 2.9Å
842	V	91.4	Very high	90.3	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-58.4	-39.4	174.7	179.2	0	0	0	0	112.3	L827 Y831 P834 F839 K846	L827-V842 HydrophobicContact CB-CG2 3.69Å; L827-V842 HydrophobicContact CD1-CG2 4.34Å; L827-V842 HydrophobicContact CD2-CG2 3.9Å; L827-V842 HydrophobicContact CG-CG2 4.18Å; Y831-V842 HydrophobicContact CD1-CG1 3.54Å; Y831-V842 HydrophobicContact CD2-CG1 3.89Å; Y831-V842 HydrophobicContact CE1-CB 4.46Å; Y831-V842 HydrophobicContact CE1-CG1 3.71Å; Y831-V842 HydrophobicContact CE2-CG1 4.06Å; Y831-V842 HydrophobicContact CE2-CG2 4.34Å; Y831-V842 HydrophobicContact CG-CG1 3.65Å; P834-V842 HydrophobicContact CB-CB 4.25Å; P834-V842 HydrophobicContact CB-CG1 3.76Å; P834-V842 HydrophobicContact CG-CG1 4.22Å; F839-V842 HydrophobicContact CB-CB 4.21Å; F839-V842 PolarHBondContact O-N 3.1Å; V842-K846 WeakPolarHBondContact O-CB 3.47Å; V842-K846 PolarHBondContact O-N 3.48Å; V842-K846 VanDerWaalsContact O-N 3.11Å
843	W	94.6	Very high	90.4	Very high	78 Å²	78	57 Å²	57	30%	0.295	27%	0.268	S	S	.	.	H	α-helix	trans	-64.1	-41.7	176.1	-179.4	87.8	0	0	0	112.2	P834 K836 F839 P840 T841 K846 Q847	P834-W843 HydrophobicContact CB-CB 4.12Å; P834-W843 HydrophobicContact CG-CB 4.26Å; K836-W843 HydrophobicContact CB-CB 4.47Å; K836-W843 HydrophobicContact CB-CD2 3.78Å; K836-W843 HydrophobicContact CB-CE3 4.3Å; K836-W843 HydrophobicContact CB-CG 3.83Å; K836-W843 HydrophobicContact CD-CD2 4.12Å; K836-W843 HydrophobicContact CD-CE3 3.91Å; K836-W843 HydrophobicContact CD-CH2 3.9Å; K836-W843 HydrophobicContact CD-CZ2 4.08Å; K836-W843 HydrophobicContact CD-CZ3 3.81Å; K836-W843 HydrophobicContact CG-CD2 3.81Å; K836-W843 HydrophobicContact CG-CE3 3.78Å; K836-W843 HydrophobicContact CG-CG 4.27Å; K836-W843 HydrophobicContact CG-CZ3 4.21Å; F839-W843 WeakPolarHBondContact O-CB 3.43Å; F839-W843 PolarHBondContact O-N 2.9Å; P840-W843 PolarHBondContact O-N 3.39Å; T841-W843 VanDerWaalsContact C-N 3.31Å; T841-W843 PolarHBondContact O-N 2.7Å; W843-K846 PolarHBondContact O-N 3.5Å; W843-Q847 HydrophobicContact CD2-CG 4.18Å; W843-Q847 HydrophobicContact CE3-CG 4.13Å; W843-Q847 HydrophobicContact CH2-CG 3.63Å; W843-Q847 HydrophobicContact CZ2-CG 3.68Å; W843-Q847 HydrophobicContact CZ3-CG 3.86Å; W843-Q847 WeakPolarHBondContact O-CG 3.19Å; W843-Q847 PolarHBondContact O-N 2.78Å; W843-Q847 VanDerWaalsContact O-N 3.11Å; W843-Q847 PolarHBondContact O-NE2 3.26Å; W843-Q847 VanDerWaalsContact O-NE2 3.09Å
844	T	89.3	Confident	90.5	Very high	65 Å²	65	57 Å²	57	40%	0.399	27%	0.265	S	S	.	.	H	α-helix	trans	-68.2	-46.2	178.7	-62.8	0	0	0	0	111.6	P840 T841 K846 Q847 L848	P840-T844 WeakPolarHBondContact O-CB 3.5Å; P840-T844 PolarHBondContact O-N 3.43Å; P840-T844 PolarHBondContact O-OG1 2.78Å; T841-T844 PolarHBondContact O-N 3.04Å; T841-T844 VanDerWaalsContact O-N 3.14Å; T844-K846 PolarHBondContact O-N 3.46Å; T844-Q847 WeakPolarHBondContact O-CA 3.41Å; T844-Q847 PolarHBondContact O-N 2.86Å; T844-L848 PolarHBondContact O-N 3.18Å
845	V	92.9	Very high	90.6	Very high	2 Å²	2	58 Å²	58	1%	0.012	27%	0.271	C	S	.	.	H	α-helix	trans	-55.5	-42.8	173.1	179.4	0	0	0	0	110.5	T765 I805 L808 Y831 T841 Q847 L848 V849 Y861 F933	T765-V845 HydrophobicContact CG2-CG1 4.06Å; T765-V845 HydrophobicContact CG2-CG2 4.11Å; I805-V845 HydrophobicContact CD1-CG2 3.78Å; L808-V845 HydrophobicContact CD1-CG2 3.45Å; L808-V845 VanDerWaalsContact CD1-CG2 3.45Å; L808-V845 HydrophobicContact CD2-CG2 4.25Å; Y831-V845 HydrophobicContact CE1-CB 4.31Å; Y831-V845 HydrophobicContact CE1-CG1 4.19Å; T841-V845 WeakPolarHBondContact O-CG2 3.17Å; T841-V845 PolarHBondContact O-N 2.9Å; V845-Q847 VanDerWaalsContact C-N 3.28Å; V845-Q847 PolarHBondContact O-N 2.94Å; V845-L848 WeakPolarHBondContact O-CB 3.34Å; V845-L848 PolarHBondContact O-N 3.14Å; V845-V849 HydrophobicContact CG1-CG2 4.28Å; V845-V849 WeakPolarHBondContact O-CG2 3.22Å; V845-V849 PolarHBondContact O-N 2.93Å; V845-Y861 HydrophobicContact CG1-CE2 4.31Å; V845-F933 HydrophobicContact CG1-CE2 3.85Å; V845-F933 HydrophobicContact CG1-CZ 3.81Å
846	K	95.8	Very high	90.9	Very high	16 Å²	16	51.8 Å²	51.8	7%	0.07	25%	0.247	C	C	.	.	H	α-helix	trans	-65.8	-24.5	176.5	-174.9	156.1	-171.2	169.6	0	114	Y831 R832 P834 V842 W843 T844 K850 V932 F933 E936 F937	Y831-K846 WeakPolarHBondContact O-CD 3.19Å; Y831-K846 PolarHBondContact O-NZ 3.39Å; R832-K846 PolarHBondContact O-NZ 3.15Å; P834-K846 HydrophobicContact CG-CB 4.41Å; P834-K846 HydrophobicContact CG-CD 4.03Å; V842-K846 WeakPolarHBondContact O-CB 3.47Å; V842-K846 PolarHBondContact O-N 3.48Å; V842-K846 VanDerWaalsContact O-N 3.11Å; W843-K846 PolarHBondContact O-N 3.5Å; T844-K846 PolarHBondContact O-N 3.46Å; K846-K850 VanDerWaalsContact O-CB 3.29Å; K846-K850 WeakPolarHBondContact O-CB 3.15Å; K846-V932 HydrophobicContact CD-CG1 4.39Å; K846-V932 VanDerWaalsContact NZ-CG1 3.35Å; K846-F933 HydrophobicContact CB-CE1 3.97Å; K846-F933 HydrophobicContact CB-CZ 4.33Å; K846-F933 HydrophobicContact CD-CE1 4.38Å; K846-F933 HydrophobicContact CG-CE1 4.01Å; K846-E936 WeakPolarHBondContact CE-OE2 3.39Å; K846-E936 IonicContact NZ-OE1 3.87Å; K846-E936 PolarHBondContact NZ-OE1 2.87Å; K846-E936 IonicContact NZ-OE2 2.72Å; K846-E936 PolarHBondContact NZ-OE2 3.41Å; K846-F937 HydrophobicContact CG-CE2 4.01Å; K846-F937 HydrophobicContact CG-CZ 3.93Å
847	Q	94.6	Very high	91	Very high	61 Å²	61	52.8 Å²	52.8	29%	0.285	25%	0.252	S	S	.	.	H	α-helix	trans	-81.1	-37.8	170.4	-60.6	-26.6	-77.7	0	0	111.6	W843 T844 V845 K850 W851	W843-Q847 HydrophobicContact CD2-CG 4.18Å; W843-Q847 HydrophobicContact CE3-CG 4.13Å; W843-Q847 HydrophobicContact CH2-CG 3.63Å; W843-Q847 HydrophobicContact CZ2-CG 3.68Å; W843-Q847 HydrophobicContact CZ3-CG 3.86Å; W843-Q847 WeakPolarHBondContact O-CG 3.19Å; W843-Q847 PolarHBondContact O-N 2.78Å; W843-Q847 VanDerWaalsContact O-N 3.11Å; W843-Q847 PolarHBondContact O-NE2 3.26Å; W843-Q847 VanDerWaalsContact O-NE2 3.09Å; T844-Q847 WeakPolarHBondContact O-CA 3.41Å; T844-Q847 PolarHBondContact O-N 2.86Å; V845-Q847 VanDerWaalsContact C-N 3.28Å; V845-Q847 PolarHBondContact O-N 2.94Å; Q847-K850 PolarHBondContact O-N 3.04Å; Q847-W851 WeakPolarHBondContact O-CB 3.13Å; Q847-W851 PolarHBondContact O-N 3.24Å
848	L	91.9	Very high	91.6	Very high	34 Å²	34	49.9 Å²	49.9	18%	0.178	24%	0.236	C	C	.	.	H	α-helix	trans	-59.5	-54.7	177.3	176.6	63.5	0	0	0	111.5	I763 Y803 I805 T844 V845 K850 W851 C852	I763-L848 HydrophobicContact CD1-CG 4.48Å; I763-L848 HydrophobicContact CG2-CD2 4.27Å; Y803-L848 HydrophobicContact CD1-CD1 3.83Å; Y803-L848 HydrophobicContact CD1-CD2 4.47Å; Y803-L848 HydrophobicContact CE1-CD1 4.18Å; Y803-L848 HydrophobicContact CG-CD1 4.2Å; Y803-L848 HydrophobicContact CG-CD2 4.47Å; I805-L848 HydrophobicContact CD1-CD2 4.01Å; T844-L848 PolarHBondContact O-N 3.18Å; V845-L848 WeakPolarHBondContact O-CB 3.34Å; V845-L848 PolarHBondContact O-N 3.14Å; L848-K850 VanDerWaalsContact C-N 3.26Å; L848-K850 PolarHBondContact O-N 3.18Å; L848-W851 HydrophobicContact CD1-CE3 4.2Å; L848-W851 PolarHBondContact O-N 3.4Å; L848-C852 PolarHBondContact O-N 2.9Å; L848-C852 PolarHBondContact O-SG 3.22Å; L848-C852 VanDerWaalsContact O-SG 3.37Å
849	V	95	Very high	92.2	Very high	0 Å²	0	48 Å²	48	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-57.6	-41.5	178.4	-179	0	0	0	0	111.4	I763 V845 W851 C852 K853 Y861 F933 F937 V939	I763-V849 HydrophobicContact CD1-CB 4.13Å; I763-V849 HydrophobicContact CD1-CG1 4.43Å; I763-V849 HydrophobicContact CD1-CG2 3.72Å; I763-V849 HydrophobicContact CG2-CG2 4.32Å; V845-V849 HydrophobicContact CG1-CG2 4.28Å; V845-V849 WeakPolarHBondContact O-CG2 3.22Å; V845-V849 PolarHBondContact O-N 2.93Å; V849-W851 VanDerWaalsContact C-N 3.31Å; V849-W851 PolarHBondContact O-N 3.37Å; V849-C852 PolarHBondContact O-N 3.08Å; V849-K853 WeakPolarHBondContact O-CB 3.19Å; V849-K853 PolarHBondContact O-N 2.96Å; V849-Y861 HydrophobicContact CG2-CD2 4.16Å; V849-Y861 HydrophobicContact CG2-CE2 4.46Å; V849-F933 HydrophobicContact CB-CD1 4.36Å; V849-F933 HydrophobicContact CB-CE1 4.45Å; V849-F933 HydrophobicContact CB-CG 4.45Å; V849-F933 HydrophobicContact CG1-CB 4.2Å; V849-F933 HydrophobicContact CG1-CD1 4.26Å; V849-F933 HydrophobicContact CG1-CD2 4.48Å; V849-F933 HydrophobicContact CG1-CG 4.07Å; V849-F933 HydrophobicContact CG2-CD1 4.41Å; V849-F933 HydrophobicContact CG2-CD2 3.92Å; V849-F933 HydrophobicContact CG2-CE1 4.31Å; V849-F933 HydrophobicContact CG2-CE2 3.8Å; V849-F933 HydrophobicContact CG2-CG 4.22Å; V849-F933 HydrophobicContact CG2-CZ 3.99Å; V849-F937 HydrophobicContact CB-CD2 4.1Å; V849-F937 HydrophobicContact CB-CE2 4.29Å; V849-F937 HydrophobicContact CG1-CB 4.49Å; V849-F937 HydrophobicContact CG1-CD2 3.62Å; V849-F937 HydrophobicContact CG1-CE2 4.3Å; V849-F937 HydrophobicContact CG1-CG 4.43Å; V849-V939 HydrophobicContact CG1-CG2 4.1Å
850	K	95.4	Very high	92.8	Very high	95 Å²	95	47.4 Å²	47.4	41%	0.413	22%	0.222	S	C	.	.	H	α-helix	trans	-66.1	-28.8	177.5	-177.3	-177.8	171.2	-169.1	0	113.7	K846 Q847 L848 K854 F937	K846-K850 VanDerWaalsContact O-CB 3.29Å; K846-K850 WeakPolarHBondContact O-CB 3.15Å; Q847-K850 PolarHBondContact O-N 3.04Å; L848-K850 VanDerWaalsContact C-N 3.26Å; L848-K850 PolarHBondContact O-N 3.18Å; K850-K854 WeakPolarHBondContact O-CG 3.41Å; K850-F937 HydrophobicContact CB-CD1 4.29Å; K850-F937 HydrophobicContact CB-CE1 3.73Å; K850-F937 HydrophobicContact CB-CE2 4.08Å; K850-F937 HydrophobicContact CB-CZ 3.62Å; K850-F937 HydrophobicContact CD-CE1 4.03Å; K850-F937 HydrophobicContact CD-CZ 4.2Å; K850-F937 HydrophobicContact CG-CD1 4.34Å; K850-F937 HydrophobicContact CG-CE1 3.74Å; K850-F937 HydrophobicContact CG-CZ 4.08Å
851	W	94.1	Very high	93.4	Very high	108 Å²	108	45.4 Å²	45.4	41%	0.409	21%	0.209	S	C	.	.	H	α-helix	trans	-80.7	-48.5	173.7	171.8	84.2	0	0	0	110.1	Y803 Q847 L848 V849 K853 K854 T855 Y856	Y803-W851 HydrophobicContact CE1-CZ3 4.2Å; Y803-W851 HydrophobicContact CE2-CZ3 4.29Å; Y803-W851 AromaticContact CZ-CZ3 3.7Å; Y803-W851 WeakPolarHBondContact OH-CH2 3.33Å; Y803-W851 WeakPolarHBondContact OH-CZ3 3.11Å; Q847-W851 WeakPolarHBondContact O-CB 3.13Å; Q847-W851 PolarHBondContact O-N 3.24Å; L848-W851 HydrophobicContact CD1-CE3 4.2Å; L848-W851 PolarHBondContact O-N 3.4Å; V849-W851 VanDerWaalsContact C-N 3.31Å; V849-W851 PolarHBondContact O-N 3.37Å; W851-K853 VanDerWaalsContact C-N 3.33Å; W851-K853 PolarHBondContact O-N 3.33Å; W851-K854 WeakPolarHBondContact O-CA 3.3Å; W851-K854 WeakPolarHBondContact O-CB 3.46Å; W851-K854 PolarHBondContact O-N 3.29Å; W851-T855 HydrophobicContact CH2-CG2 4.17Å; W851-T855 HydrophobicContact CZ2-CG2 3.92Å; W851-T855 PolarHBondContact O-N 3.49Å; W851-T855 PolarHBondContact O-OG1 3.29Å; W851-Y856 AromaticContact CH2-CE2 3.98Å; W851-Y856 HydrophobicContact CH2-CE2 3.98Å; W851-Y856 AromaticContact CZ3-CE2 3.88Å; W851-Y856 HydrophobicContact CZ3-CE2 3.88Å
852	C	94.1	Very high	93.9	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-56.1	-44.4	178.5	-65.6	0	0	0	0	112.6	A761 I763 L848 V849 K854 T855 Y856 V859	A761-C852 HydrophobicContact CB-CB 3.92Å; I763-C852 HydrophobicContact CD1-CB 3.85Å; L848-C852 PolarHBondContact O-N 2.9Å; L848-C852 PolarHBondContact O-SG 3.22Å; L848-C852 VanDerWaalsContact O-SG 3.37Å; V849-C852 PolarHBondContact O-N 3.08Å; C852-K854 PolarHBondContact O-N 3.19Å; C852-T855 PolarHBondContact O-N 2.95Å; C852-Y856 HydrophobicContact CB-CD2 3.99Å; C852-Y856 HydrophobicContact CB-CE2 4.49Å; C852-Y856 WeakPolarHBondContact O-CD2 3.23Å; C852-Y856 PolarHBondContact O-N 2.88Å; C852-V859 HydrophobicContact CB-CG2 3.92Å
853	K	93.4	Very high	94.2	Very high	64 Å²	64	43.5 Å²	43.5	28%	0.278	20%	0.198	S	C	.	.	H	α-helix	trans	-63	-10.3	176.8	-169.5	70.9	-172	-165.5	0	114.1	V849 W851 D858 V859 F937 E938	V849-K853 WeakPolarHBondContact O-CB 3.19Å; V849-K853 PolarHBondContact O-N 2.96Å; W851-K853 VanDerWaalsContact C-N 3.33Å; W851-K853 PolarHBondContact O-N 3.33Å; K853-D858 IonicContact NZ-OD1 3.18Å; K853-D858 PolarHBondContact NZ-OD1 2.8Å; K853-V859 HydrophobicContact CB-CG2 3.92Å; K853-V859 HydrophobicContact CD-CG2 4.09Å; K853-F937 VanDerWaalsContact CD-O 3.28Å; K853-F937 WeakPolarHBondContact CD-O 3.16Å; K853-F937 WeakPolarHBondContact CE-O 3.46Å; K853-F937 HydrophobicContact CG-CB 4.45Å; K853-F937 VanDerWaalsContact CG-O 3.32Å; K853-F937 WeakPolarHBondContact CG-O 3.29Å; K853-E938 PolarHBondContact NZ-O 3.3Å
854	K	93.7	Very high	94.4	Very high	173 Å²	173	39.9 Å²	39.9	75%	0.752	18%	0.184	S	C	*	.	H	α-helix	trans	-102.3	-15.1	172.4	-67	179.3	165.6	-153.2	0	114.2	K850 W851 C852	K850-K854 WeakPolarHBondContact O-CG 3.41Å; W851-K854 WeakPolarHBondContact O-CA 3.3Å; W851-K854 WeakPolarHBondContact O-CB 3.46Å; W851-K854 PolarHBondContact O-N 3.29Å; C852-K854 PolarHBondContact O-N 3.19Å
855	T	92.7	Very high	94.8	Very high	38 Å²	38	36.9 Å²	36.9	23%	0.233	17%	0.166	C	C	.	.	H	α-helix	trans	-111.5	-24.2	-169.1	-63.3	0	0	0	0	112.4	N756 K757 W851 C852	N756-T855 CarbonylContact C-O 3.58Å; N756-T855 VanDerWaalsContact C-O 3.3Å; N756-T855 HydrophobicContact CB-CG2 4.22Å; K757-T855 WeakPolarHBondContact CA-O 3.45Å; K757-T855 PolarHBondContact N-O 2.94Å; W851-T855 HydrophobicContact CH2-CG2 4.17Å; W851-T855 HydrophobicContact CZ2-CG2 3.92Å; W851-T855 PolarHBondContact O-N 3.49Å; W851-T855 PolarHBondContact O-OG1 3.29Å; C852-T855 PolarHBondContact O-N 2.95Å
856	Y	93.5	Very high	94.8	Very high	13 Å²	13	37 Å²	37	5%	0.051	17%	0.168	C	C	.	.	S	Bend	trans	-120.7	159.2	-174.7	-63.7	-77.2	0	0	0	112.1	N756 K759 A761 V801 Y803 W851 C852 D858	N756-Y856 HydrophobicContact CB-CD1 4.18Å; N756-Y856 HydrophobicContact CB-CE1 3.73Å; N756-Y856 WeakPolarHBondContact O-CA 3.47Å; N756-Y856 WeakPolarHBondContact O-CD1 3.34Å; K759-Y856 HydrophobicContact CB-CD1 4.12Å; K759-Y856 HydrophobicContact CB-CE1 4.5Å; K759-Y856 WeakPolarHBondContact O-CB 3.21Å; A761-Y856 HydrophobicContact CB-CD2 3.65Å; A761-Y856 HydrophobicContact CB-CE2 4.3Å; A761-Y856 HydrophobicContact CB-CG 3.78Å; V801-Y856 HydrophobicContact CB-CE1 3.99Å; V801-Y856 HydrophobicContact CG2-CD1 4.47Å; V801-Y856 HydrophobicContact CG2-CE1 3.63Å; Y803-Y856 HydrophobicContact CE2-CE2 4.02Å; Y803-Y856 PolarHBondContact OH-OH 3.29Å; W851-Y856 AromaticContact CH2-CE2 3.98Å; W851-Y856 HydrophobicContact CH2-CE2 3.98Å; W851-Y856 AromaticContact CZ3-CE2 3.88Å; W851-Y856 HydrophobicContact CZ3-CE2 3.88Å; C852-Y856 HydrophobicContact CB-CD2 3.99Å; C852-Y856 HydrophobicContact CB-CE2 4.49Å; C852-Y856 WeakPolarHBondContact O-CD2 3.23Å; C852-Y856 PolarHBondContact O-N 2.88Å; Y856-D858 VanDerWaalsContact C-N 3.35Å; Y856-D858 PolarHBondContact O-N 3.21Å
857	K	91.2	Very high	94.4	Very high	121 Å²	121	36.6 Å²	36.6	53%	0.526	17%	0.166	S	C	.	.	S	Bend	trans	-55.4	-46.4	-177.4	-174.4	178.3	175.5	-165.4	0	112.5	K757 D758 K759 Y760	K757-K857 WeakPolarHBondContact O-CA 3.45Å; K757-K857 WeakPolarHBondContact O-CB 3.17Å; K757-K857 PolarHBondContact O-N 2.97Å; D758-K857 VanDerWaalsContact O-CD 3.29Å; D758-K857 WeakPolarHBondContact O-CD 3.47Å; K759-K857 VanDerWaalsContact O-CB 3.29Å; K759-K857 WeakPolarHBondContact O-CB 3.46Å; K759-K857 PolarHBondContact O-N 3.03Å; Y760-K857 HydrophobicContact CD2-CD 4.48Å; Y760-K857 HydrophobicContact CE1-CD 4.25Å; Y760-K857 HydrophobicContact CE1-CG 4.41Å; Y760-K857 HydrophobicContact CE2-CD 3.84Å; Y760-K857 VanDerWaalsContact OH-CE 3.29Å; Y760-K857 WeakPolarHBondContact OH-CE 3.39Å; Y760-K857 PolarHBondContact OH-NZ 2.93Å
858	D	92.1	Very high	93.7	Very high	31 Å²	31	34.1 Å²	34.1	17%	0.166	16%	0.155	C	C	.	.			trans	-156	175.7	164.5	-156.7	1.6	0	0	0	110.3	Y760 A761 K853 Y856	Y760-D858 HydrophobicContact CD1-CB 3.96Å; Y760-D858 HydrophobicContact CE1-CB 4.05Å; A761-D858 PolarHBondContact N-O 3.39Å; K853-D858 IonicContact NZ-OD1 3.18Å; K853-D858 PolarHBondContact NZ-OD1 2.8Å; Y856-D858 VanDerWaalsContact C-N 3.35Å; Y856-D858 PolarHBondContact O-N 3.21Å
859	V	94.6	Very high	93	Very high	1 Å²	1	38.7 Å²	38.7	1%	0.006	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	136.6	177.3	-178.2	0	0	0	0	110.3	A761 I763 C852 K853 V939	A761-V859 HydrophobicContact CB-CG2 4.37Å; A761-V859 CarbonylContact O-C 3.53Å; A761-V859 WeakPolarHBondContact O-CA 3.4Å; I763-V859 HydrophobicContact CD1-CG1 3.69Å; I763-V859 HydrophobicContact CG1-CG1 4.15Å; C852-V859 HydrophobicContact CB-CG2 3.92Å; K853-V859 HydrophobicContact CB-CG2 3.92Å; K853-V859 HydrophobicContact CD-CG2 4.09Å; V859-V939 HydrophobicContact CB-CG1 4.34Å; V859-V939 HydrophobicContact CB-CG2 4.2Å; V859-V939 HydrophobicContact CG1-CG1 4.27Å; V859-V939 HydrophobicContact CG1-CG2 4.37Å; V859-V939 WeakPolarHBondContact O-CG1 3.38Å
860	I	96.5	Very high	92.4	Very high	6 Å²	6	40.4 Å²	40.4	3%	0.031	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	133.4	159.9	-59.9	176.7	0	0	0	106.7	A761 V762 I763 Y800 L900 N941 L978 F981	A761-I860 PolarHBondContact O-N 2.89Å; V762-I860 HydrophobicContact CG2-CB 3.97Å; V762-I860 HydrophobicContact CG2-CD1 4.08Å; V762-I860 HydrophobicContact CG2-CG1 4.45Å; V762-I860 HydrophobicContact CG2-CG2 4.46Å; I763-I860 PolarHBondContact N-O 3.27Å; Y800-I860 HydrophobicContact CE1-CD1 3.94Å; I860-L900 HydrophobicContact CG2-CD2 4.38Å; I860-N941 HydrophobicContact CB-CB 4.38Å; I860-N941 HydrophobicContact CG1-CB 4.05Å; I860-N941 HydrophobicContact CG2-CB 4.21Å; I860-L978 HydrophobicContact CD1-CD2 3.89Å; I860-L978 HydrophobicContact CG2-CD2 4.36Å; I860-F981 HydrophobicContact CD1-CD1 3.91Å; I860-F981 HydrophobicContact CD1-CE1 3.73Å; I860-F981 HydrophobicContact CG1-CE1 4.47Å
861	Y	97.8	Very high	92	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	129.4	177.6	179.4	-96.6	0	0	0	111	I763 T765 V845 V849 D863 S929 F933 N941 S942 F943	I763-Y861 HydrophobicContact CB-CD2 3.99Å; I763-Y861 HydrophobicContact CG2-CD2 3.85Å; I763-Y861 HydrophobicContact CG2-CE2 4.05Å; I763-Y861 WeakPolarHBondContact O-CA 3.34Å; T765-Y861 HydrophobicContact CG2-CE2 4.2Å; T765-Y861 PolarHBondContact OG1-OH 2.97Å; V845-Y861 HydrophobicContact CG1-CE2 4.31Å; V849-Y861 HydrophobicContact CG2-CD2 4.16Å; V849-Y861 HydrophobicContact CG2-CE2 4.46Å; Y861-D863 HydrophobicContact CE1-CB 3.84Å; Y861-S929 WeakPolarHBondContact OH-CB 3.26Å; Y861-F933 AromaticContact CD1-CD2 3.8Å; Y861-F933 HydrophobicContact CD1-CD2 3.8Å; Y861-F933 AromaticContact CD2-CD2 3.86Å; Y861-F933 HydrophobicContact CD2-CD2 3.86Å; Y861-F933 HydrophobicContact CD2-CE2 4.14Å; Y861-F933 AromaticContact CE1-CD2 3.69Å; Y861-F933 HydrophobicContact CE1-CD2 3.69Å; Y861-F933 HydrophobicContact CE1-CE2 4.02Å; Y861-F933 AromaticContact CE2-CD2 3.8Å; Y861-F933 HydrophobicContact CE2-CD2 3.8Å; Y861-F933 AromaticContact CE2-CE2 3.65Å; Y861-F933 HydrophobicContact CE2-CE2 3.65Å; Y861-F933 AromaticContact CG-CD2 3.88Å; Y861-F933 HydrophobicContact CG-CD2 3.88Å; Y861-F933 AromaticContact CZ-CD2 3.72Å; Y861-F933 AromaticContact CZ-CE2 3.59Å; Y861-N941 PolarHBondContact N-O 3.28Å; Y861-S942 CarbonylContact O-C 3.55Å; Y861-S942 WeakPolarHBondContact O-CA 3.33Å; Y861-F943 PolarHBondContact O-N 3.34Å
862	C	98.1	Very high	92	Very high	8 Å²	8	33 Å²	33	5%	0.054	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	125.7	173.9	-162.2	0	0	0	0	111.1	I763 I764 T765	I763-C862 PolarHBondContact O-N 3.13Å; I764-C862 VanDerWaalsContact CA-O 3.29Å; I764-C862 WeakPolarHBondContact CA-O 3.43Å; I764-C862 HydrophobicContact CG1-CB 4.23Å; T765-C862 PolarHBondContact N-O 2.84Å
863	D	98	Very high	92.1	Very high	0 Å²	0	33 Å²	33	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	120.3	172.6	-158.8	9.6	0	0	0	108	T765 Y861 H865 S929 F943 T944 L945	T765-D863 CarbonylContact O-C 3.57Å; T765-D863 WeakPolarHBondContact O-CA 3.43Å; T765-D863 VanDerWaalsContact OG1-CG 3.22Å; T765-D863 PolarHBondContact OG1-OD1 3.15Å; Y861-D863 HydrophobicContact CE1-CB 3.84Å; D863-H865 PolarHBondContact O-CD2 2.66Å; D863-H865 IonicContact OD1-CD2 3Å; D863-H865 IonicContact OD1-NE2 2.84Å; D863-H865 PolarHBondContact OD1-NE2 2.97Å; D863-H865 IonicContact OD2-CD2 3.72Å; D863-H865 IonicContact OD2-CE1 3.77Å; D863-H865 IonicContact OD2-NE2 2.66Å; D863-H865 PolarHBondContact OD2-NE2 3.02Å; D863-S929 WeakPolarHBondContact OD2-CB 3.47Å; D863-S929 PolarHBondContact OD2-OG 2.81Å; D863-F943 PolarHBondContact N-O 3.4Å; D863-T944 CarbonylContact O-C 3.55Å; D863-T944 VanDerWaalsContact O-CA 3.27Å; D863-T944 WeakPolarHBondContact O-CA 3.45Å; D863-L945 PolarHBondContact O-N 2.8Å
864	I	98.1	Very high	92.3	Very high	1 Å²	1	30 Å²	30	1%	0.005	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	123.7	-172.3	-50.7	-177.5	0	0	0	110	I764 T765 A766 S775 I778 L945 L974	I764-I864 HydrophobicContact CG2-CD1 3.64Å; I764-I864 HydrophobicContact CG2-CG1 4.11Å; T765-I864 PolarHBondContact O-N 3.24Å; A766-I864 HydrophobicContact CB-CB 4.33Å; S775-I864 WeakPolarHBondContact CB-O 3.23Å; I778-I864 HydrophobicContact CB-CG2 4.48Å; I778-I864 HydrophobicContact CD1-CG2 4.45Å; I778-I864 HydrophobicContact CG2-CD1 4.16Å; I864-L945 HydrophobicContact CG1-CB 4.45Å; I864-L945 HydrophobicContact CG2-CD2 4.29Å; I864-L974 HydrophobicContact CD1-CD2 4.46Å
865	H	97.2	Very high	92.4	Very high	3 Å²	3	21.8 Å²	21.8	1%	0.014	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	163.9	-167.8	-72.9	-111.6	0	0	0	111.8	V768 H769 E772 N828 D863 T944 L945 A947	V768-H865 WeakPolarHBondContact CG1-CE1 3.25Å; V768-H865 WeakPolarHBondContact CG1-NE2 3.28Å; H769-H865 AromaticContact CE1-CE1 3.13Å; H769-H865 PolarHBondContact CE1-CE1 3.39Å; H769-H865 AromaticContact CE1-ND1 3.03Å; H769-H865 PolarHBondContact CE1-ND1 3.14Å; H769-H865 AromaticContact ND1-CE1 3.55Å; H769-H865 AromaticContact ND1-ND1 3.16Å; H769-H865 PolarHBondContact ND1-ND1 3.14Å; H769-H865 VanDerWaalsContact ND1-ND1 3.16Å; E772-H865 IonicContact OE2-CG 3.82Å; E772-H865 IonicContact OE2-ND1 3.49Å; N828-H865 PolarHBondContact ND2-CE1 3.36Å; D863-H865 PolarHBondContact O-CD2 2.66Å; D863-H865 IonicContact OD1-CD2 3Å; D863-H865 IonicContact OD1-NE2 2.84Å; D863-H865 PolarHBondContact OD1-NE2 2.97Å; D863-H865 IonicContact OD2-CD2 3.72Å; D863-H865 IonicContact OD2-CE1 3.77Å; D863-H865 IonicContact OD2-NE2 2.66Å; D863-H865 PolarHBondContact OD2-NE2 3.02Å; H865-T944 HydrophobicContact CB-CG2 4.26Å; H865-L945 PolarHBondContact N-O 3.18Å; H865-A947 PolarHBondContact O-N 2.9Å
866	G	92.8	Very high	92.5	Very high	5 Å²	5	20 Å²	20	5%	0.052	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	115.3	-177.7	0	0	0	0	0	113.9	E772 N774 A947 F949	E772-G866 PolarHBondContact OE2-N 2.83Å; N774-G866 WeakPolarHBondContact OD1-CA 3.03Å; G866-A947 CarbonylContact C-O 3.54Å; G866-A947 WeakPolarHBondContact CA-O 3.41Å; G866-F949 VanDerWaalsContact C-CE2 3.47Å; G866-F949 WeakPolarHBondContact O-CE2 3.32Å
867	H	88.4	Confident	92.4	Very high	7 Å²	7	19.4 Å²	19.4	3%	0.032	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	116.4	-173.9	-163	-84.5	0	0	0	113.2	R870 F874 E946 A947 T948 F949 S1151	H867-R870 VanDerWaalsContact CE1-CB 3.43Å; H867-R870 WeakPolarHBondContact CE1-CB 3.46Å; H867-R870 PolarHBondContact CE1-N 3.35Å; H867-R870 PolarHBondContact ND1-N 3.27Å; H867-R870 VanDerWaalsContact ND1-N 3.14Å; H867-F874 AromaticContact CD2-CZ 3.7Å; H867-F874 AromaticContact CG-CZ 3.91Å; H867-F874 AromaticContact NE2-CZ 3.96Å; H867-E946 HydrophobicContact CB-CB 4.24Å; H867-E946 IonicContact CD2-OE2 3.63Å; H867-A947 PolarHBondContact N-O 3.47Å; H867-T948 WeakPolarHBondContact O-CA 3.32Å; H867-F949 WeakPolarHBondContact O-CD2 3.18Å; H867-F949 PolarHBondContact O-N 2.97Å; H867-S1151 WeakPolarHBondContact CD2-CB 3.34Å; H867-S1151 PolarHBondContact CD2-OG 2.81Å; H867-S1151 WeakPolarHBondContact NE2-CB 3.49Å; H867-S1151 PolarHBondContact NE2-OG 3.04Å
868	S	80.2	Confident	92.3	Very high	9 Å²	9	13.7 Å²	13.7	6%	0.063	6%	0.063	C	C	.	.	S	Bend	trans	-96.1	11.7	-168.9	81.5	0	0	0	0	117	K644 Y712	K644-S868 PolarHBondContact NZ-OG 3.2Å; Y712-S868 WeakPolarHBondContact OH-CB 3.41Å
869	R	75.2	Confident	91.8	Very high	129 Å²	129	12.5 Å²	12.5	49%	0.487	6%	0.057	S	C	.	.	S	Bend	trans	-136	-61.5	-174.7	-70.8	-176.1	67.3	-175.1	-2.5	113.8
870	R	82.5	Confident	90.8	Very high	36 Å²	36	13.9 Å²	13.9	14%	0.136	7%	0.066	C	C	.	.	S	Bend	trans	-68.6	150.6	173.4	-64.7	169.5	167.6	-163.2	-6.7	110.8	H867 F874 N916 T948 E1154	H867-R870 VanDerWaalsContact CE1-CB 3.43Å; H867-R870 WeakPolarHBondContact CE1-CB 3.46Å; H867-R870 PolarHBondContact CE1-N 3.35Å; H867-R870 PolarHBondContact ND1-N 3.27Å; H867-R870 VanDerWaalsContact ND1-N 3.14Å; R870-F874 HydrophobicContact CB-CE1 4.1Å; R870-F874 HydrophobicContact CB-CZ 4.41Å; R870-N916 PolarHBondContact NH1-O 2.98Å; R870-T948 WeakPolarHBondContact O-CB 3.48Å; R870-T948 PolarHBondContact O-OG1 3.44Å; R870-E1154 IonicContact CZ-OE1 2.98Å; R870-E1154 IonicContact CZ-OE2 3.55Å; R870-E1154 IonicContact NE-OE1 2.71Å; R870-E1154 IonicContact NE-OE2 2.74Å; R870-E1154 PolarHBondContact NE-OE2 3.22Å; R870-E1154 IonicContact NH2-OE1 2.72Å; R870-E1154 PolarHBondContact NH2-OE1 3.38Å; R870-E1154 IonicContact NH2-OE2 2.69Å; R870-E1154 PolarHBondContact NH2-OE2 2.88Å
871	N	88.5	Confident	89.5	Confident	41 Å²	41	16.5 Å²	16.5	22%	0.219	8%	0.079	C	C	.	.			trans	-82.9	176.2	167.4	-63.2	-28.4	0	0	0	110.9	N916 N950 G951 T953	N871-N916 PolarHBondContact O-ND2 3.48Å; N871-N950 PolarHBondContact OD1-ND2 3.36Å; N871-G951 WeakPolarHBondContact CA-O 3.43Å; N871-G951 VanDerWaalsContact CB-O 3.27Å; N871-G951 WeakPolarHBondContact CB-O 3.38Å; N871-T953 HydrophobicContact CB-CG2 4.02Å; N871-T953 VanDerWaalsContact ND2-CG2 3.29Å; N871-T953 WeakPolarHBondContact ND2-CG2 3.32Å
872	N	93.9	Very high	88	Confident	8 Å²	8	18.4 Å²	18.4	4%	0.043	9%	0.087	C	C	.	.	S	Bend	trans	66.1	174	-177.7	-40.9	-26.6	0	0	0	113.5	N916 T948 G951 S952 T953 L954	N872-N916 PolarHBondContact ND2-ND2 2.86Å; N872-T948 VanDerWaalsContact O-CB 3.28Å; N872-T948 WeakPolarHBondContact O-CB 3.34Å; N872-T948 VanDerWaalsContact O-CG2 3.29Å; N872-T948 WeakPolarHBondContact O-CG2 3.43Å; N872-T948 PolarHBondContact O-N 2.89Å; N872-G951 PolarHBondContact N-O 2.9Å; N872-S952 WeakPolarHBondContact OD1-CA 3.39Å; N872-S952 PolarHBondContact OD1-OG 3.43Å; N872-T953 PolarHBondContact OD1-N 3.2Å; N872-L954 HydrophobicContact CB-CD1 4.4Å
873	I	96.6	Very high	86.2	Confident	0 Å²	0	24.6 Å²	24.6	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	142.6	169.3	-53.5	-171.7	0	0	0	107.8	I778 Y911 F912 S913 L945 E946 A947 F962 M970	I778-I873 HydrophobicContact CD1-CD1 4.26Å; I873-Y911 WeakPolarHBondContact CB-O 3.34Å; I873-Y911 PolarHBondContact N-O 2.15Å; I873-F912 HydrophobicContact CB-CD2 4.22Å; I873-F912 HydrophobicContact CG2-CD2 3.9Å; I873-F912 HydrophobicContact CG2-CE2 4.35Å; I873-F912 CarbonylContact O-C 3.58Å; I873-F912 WeakPolarHBondContact O-CA 3.41Å; I873-S913 PolarHBondContact O-N 2.86Å; I873-L945 HydrophobicContact CG2-CD2 3.41Å; I873-L945 VanDerWaalsContact CG2-CD2 3.41Å; I873-L945 HydrophobicContact CG2-CG 4.25Å; I873-E946 WeakPolarHBondContact CA-O 3.32Å; I873-A947 HydrophobicContact CD1-CB 4.15Å; I873-A947 HydrophobicContact CG1-CB 4.2Å; I873-A947 HydrophobicContact CG2-CB 4.21Å; I873-F962 HydrophobicContact CD1-CE2 3.97Å; I873-F962 HydrophobicContact CG1-CE2 3.76Å; I873-F962 HydrophobicContact CG1-CZ 4.31Å; I873-M970 HydrophobicContact CD1-CB 4.16Å; I873-M970 HydrophobicContact CD1-CG 3.58Å; I873-M970 HydrophobicContact CD1-SD 3.9Å; I873-M970 HydrophobicContact CG2-CE 4.19Å; I873-M970 HydrophobicContact CG2-SD 4.43Å
874	F	95.9	Very high	84.2	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	170.1	179.2	52.2	-87.5	0	0	0	111.7	H867 R870 Y876 F912 N916 E946	H867-F874 AromaticContact CD2-CZ 3.7Å; H867-F874 AromaticContact CG-CZ 3.91Å; H867-F874 AromaticContact NE2-CZ 3.96Å; R870-F874 HydrophobicContact CB-CE1 4.1Å; R870-F874 HydrophobicContact CB-CZ 4.41Å; F874-Y876 HydrophobicContact CD2-CE1 4.31Å; F874-Y876 AromaticContact CE2-CE1 3.98Å; F874-Y876 HydrophobicContact CE2-CE1 3.98Å; F874-Y876 HydrophobicContact CE2-CE2 4.26Å; F874-Y876 AromaticContact CE2-CZ 3.74Å; F874-F912 VanDerWaalsContact CA-CE2 3.49Å; F874-N916 HydrophobicContact CB-CB 3.74Å; F874-N916 HydrophobicContact CD1-CB 3.71Å; F874-N916 HydrophobicContact CD2-CB 4.34Å; F874-N916 HydrophobicContact CE1-CB 4.42Å; F874-N916 HydrophobicContact CG-CB 3.68Å; F874-E946 HydrophobicContact CD2-CB 3.99Å; F874-E946 HydrophobicContact CD2-CG 4.47Å; F874-E946 HydrophobicContact CE1-CB 4.4Å; F874-E946 HydrophobicContact CE2-CB 3.63Å; F874-E946 HydrophobicContact CE2-CG 3.97Å; F874-E946 HydrophobicContact CZ-CB 3.86Å; F874-E946 HydrophobicContact CZ-CG 4.49Å; F874-E946 PolarHBondContact N-O 2.96Å; F874-E946 PolarHBondContact O-N 3Å
875	M	96.4	Very high	82.2	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	145.8	176.2	-78.7	179.4	-176.8	0	0	112.7	P901 L904 F912 C917 R918 F943 T944 L945 L974	M875-P901 HydrophobicContact CB-CB 4.46Å; M875-P901 HydrophobicContact CB-CG 4.19Å; M875-P901 HydrophobicContact SD-CB 4.44Å; M875-P901 HydrophobicContact SD-CG 3.89Å; M875-L904 HydrophobicContact CE-CD2 3.53Å; M875-L904 HydrophobicContact SD-CD2 4.43Å; M875-F912 HydrophobicContact CB-CE2 4.47Å; M875-F912 HydrophobicContact CB-CZ 3.99Å; M875-F912 HydrophobicContact CG-CE2 3.9Å; M875-F912 HydrophobicContact CG-CZ 3.79Å; M875-F912 HydrophobicContact SD-CZ 4.32Å; M875-C917 PolarHBondContact N-SG 3.41Å; M875-C917 WeakPolarHBondContact O-CA 3.47Å; M875-C917 WeakPolarHBondContact O-CB 3.35Å; M875-R918 PolarHBondContact O-N 3.04Å; M875-F943 HydrophobicContact CB-CD1 4.45Å; M875-F943 HydrophobicContact SD-CB 4.15Å; M875-F943 HydrophobicContact SD-CD1 4.13Å; M875-F943 HydrophobicContact SD-CD2 4.36Å; M875-F943 HydrophobicContact SD-CG 3.95Å; M875-T944 CarbonylContact C-O 3.53Å; M875-T944 WeakPolarHBondContact CA-O 3.26Å; M875-L945 HydrophobicContact CE-CB 4.27Å; M875-L945 HydrophobicContact CE-CD1 3.86Å; M875-L945 HydrophobicContact CE-CG 4.13Å; M875-L945 HydrophobicContact CG-CB 4.19Å; M875-L945 HydrophobicContact CG-CG 4.31Å; M875-L974 HydrophobicContact CE-CD1 4.08Å
876	Y	94	Very high	80.1	Confident	2 Å²	2	43.1 Å²	43.1	1%	0.008	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	128.1	158.8	-60.1	-51	0	0	0	110.1	F874 R918 R930 F943 T944 E946 S1151 E1152	F874-Y876 HydrophobicContact CD2-CE1 4.31Å; F874-Y876 AromaticContact CE2-CE1 3.98Å; F874-Y876 HydrophobicContact CE2-CE1 3.98Å; F874-Y876 HydrophobicContact CE2-CE2 4.26Å; F874-Y876 AromaticContact CE2-CZ 3.74Å; Y876-R918 CarbonylContact C-O 3.59Å; Y876-R918 VanDerWaalsContact CA-O 3.23Å; Y876-R918 WeakPolarHBondContact CA-O 3.17Å; Y876-R918 HydrophobicContact CD1-CB 3.77Å; Y876-R918 HydrophobicContact CD1-CG 4.41Å; Y876-R918 HydrophobicContact CE1-CB 3.95Å; Y876-R918 HydrophobicContact CE1-CG 4.11Å; Y876-R930 VanDerWaalsContact CB-NH2 3.26Å; Y876-R930 WeakPolarHBondContact O-CD 3.09Å; Y876-R930 PolarHBondContact O-NE 3.02Å; Y876-F943 WeakPolarHBondContact O-CA 3.24Å; Y876-T944 PolarHBondContact N-O 3.31Å; Y876-T944 PolarHBondContact O-N 2.77Å; Y876-E946 HydrophobicContact CD2-CG 3.68Å; Y876-E946 HydrophobicContact CE2-CG 3.51Å; Y876-E946 WeakPolarHBondContact CE2-OE1 3.22Å; Y876-S1151 WeakPolarHBondContact OH-CB 3.38Å; Y876-E1152 HydrophobicContact CD1-CG 4.42Å; Y876-E1152 HydrophobicContact CE1-CB 4.38Å; Y876-E1152 HydrophobicContact CE1-CG 3.94Å; Y876-E1152 HydrophobicContact CE2-CG 4.26Å; Y876-E1152 PolarHBondContact OH-N 3.22Å
877	G	92.9	Very high	78.5	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	20%	0.201	C	C	.	.			trans	-108.4	-157.1	176.9	0	0	0	0	0	112.8	R918 R930	G877-R918 PolarHBondContact N-O 3Å; G877-R930 WeakPolarHBondContact O-CD 3.43Å; G877-R930 PolarHBondContact O-NH1 3.1Å
878	C	89.6	Confident	77	Confident	1 Å²	1	46.6 Å²	46.6	1%	0.007	21%	0.209	C	C	.	.			trans	-140.7	107.4	176.4	-76.3	0	0	0	0	112.2	I921 R930 W934	C878-I921 HydrophobicContact CB-CD1 4.05Å; C878-R930 WeakPolarHBondContact SG-CG 3.15Å; C878-W934 HydrophobicContact CB-CB 4.19Å; C878-W934 HydrophobicContact CB-CD2 3.5Å; C878-W934 VanDerWaalsContact CB-CD2 3.5Å; C878-W934 HydrophobicContact CB-CE3 4.09Å; C878-W934 HydrophobicContact CB-CG 3.52Å; C878-W934 HydrophobicContact CB-CZ2 4.25Å; C878-W934 PolarHBondContact O-NE1 3.43Å
879	D	80.5	Confident	75.6	Confident	6 Å²	6	52.5 Å²	52.5	3%	0.032	24%	0.24	C	C	.	.			trans	-63.2	123.9	179.3	-173.8	-66.8	0	0	0	112.2	L881 Y882 R898 F919 W934 H1115	D879-L881 PolarHBondContact O-N 3.16Å; D879-L881 WeakPolarHBondContact OD1-CA 3.17Å; D879-L881 VanDerWaalsContact OD1-CB 3.29Å; D879-L881 WeakPolarHBondContact OD1-CB 3.3Å; D879-L881 PolarHBondContact OD1-N 2.88Å; D879-Y882 WeakPolarHBondContact O-CB 2.95Å; D879-Y882 PolarHBondContact O-N 2.86Å; D879-R898 IonicContact OD2-NH2 2.65Å; D879-R898 PolarHBondContact OD2-NH2 3.11Å; D879-F919 HydrophobicContact CB-CB 4.18Å; D879-F919 VanDerWaalsContact CB-O 3.29Å; D879-F919 WeakPolarHBondContact CB-O 3.25Å; D879-F919 PolarHBondContact N-O 3.32Å; D879-W934 WeakPolarHBondContact O-CZ2 3.14Å; D879-H1115 VanDerWaalsContact CG-ND1 3.26Å; D879-H1115 IonicContact OD1-CE1 2.82Å; D879-H1115 PolarHBondContact OD1-CE1 2.7Å; D879-H1115 IonicContact OD1-ND1 2.65Å; D879-H1115 PolarHBondContact OD1-ND1 3.34Å; D879-H1115 IonicContact OD2-CE1 3.36Å; D879-H1115 IonicContact OD2-CG 3.52Å; D879-H1115 IonicContact OD2-ND1 3.95Å; D879-H1115 PolarHBondContact OD2-ND1 3.41Å
880	P	73.6	Confident	74.2	Confident	30 Å²	30	53.5 Å²	53.5	20%	0.195	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55	-32.5	-179.9	-28.9	36.5	0	0	0	115.4	Y882 S885 F888	P880-Y882 VanDerWaalsContact C-N 3.31Å; P880-Y882 PolarHBondContact O-N 2.99Å; P880-S885 PolarHBondContact O-OG 3.03Å; P880-F888 HydrophobicContact CB-CD2 4.1Å
881	L	69.1	Low	72.4	Confident	61 Å²	61	57.6 Å²	57.6	32%	0.319	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-11.4	-174.5	-60.6	171.3	0	0	0	112.5	D879 R883 H884 H1115	D879-L881 PolarHBondContact O-N 3.16Å; D879-L881 WeakPolarHBondContact OD1-CA 3.17Å; D879-L881 VanDerWaalsContact OD1-CB 3.29Å; D879-L881 WeakPolarHBondContact OD1-CB 3.3Å; D879-L881 PolarHBondContact OD1-N 2.88Å; L881-R883 PolarHBondContact O-N 3.25Å; L881-R883 VanDerWaalsContact O-N 3.1Å; L881-H884 PolarHBondContact O-N 3.42Å; L881-H1115 HydrophobicContact CD1-CB 3.93Å
882	Y	67	Low	70.7	Confident	39 Å²	39	62.7 Å²	62.7	15%	0.153	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54	116.5	-179.1	-174.5	-95.5	0	0	0	112.8	D879 P880 H884 S885 I921	D879-Y882 WeakPolarHBondContact O-CB 2.95Å; D879-Y882 PolarHBondContact O-N 2.86Å; P880-Y882 VanDerWaalsContact C-N 3.31Å; P880-Y882 PolarHBondContact O-N 2.99Å; Y882-H884 PolarHBondContact O-N 3.29Å; Y882-S885 PolarHBondContact O-N 2.89Å; Y882-I921 HydrophobicContact CD1-CB 4.27Å; Y882-I921 HydrophobicContact CD1-CD1 4.04Å; Y882-I921 HydrophobicContact CD2-CB 3.93Å; Y882-I921 HydrophobicContact CD2-CG1 4.41Å; Y882-I921 HydrophobicContact CE1-CB 4.1Å; Y882-I921 HydrophobicContact CE1-CG2 4.3Å; Y882-I921 HydrophobicContact CE2-CB 3.75Å; Y882-I921 WeakPolarHBondContact CE2-O 3.36Å; Y882-I921 HydrophobicContact CG-CB 4.17Å; Y882-I921 HydrophobicContact CG-CD1 4.04Å; Y882-I921 HydrophobicContact CG-CG1 4.35Å; Y882-I921 PolarHBondContact OH-O 2.7Å
883	R	59.7	Low	68.9	Low	139 Å²	139	64 Å²	64	53%	0.525	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.2	32.6	-176.8	-61.2	-174.3	-168.7	168	11.9	114.6	L881 E926	L881-R883 PolarHBondContact O-N 3.25Å; L881-R883 VanDerWaalsContact O-N 3.1Å; R883-E926 VanDerWaalsContact CZ-CD 3.45Å; R883-E926 IonicContact CZ-OE1 3.53Å; R883-E926 IonicContact CZ-OE2 3.79Å; R883-E926 IonicContact NH1-OE1 3.55Å; R883-E926 PolarHBondContact NH1-OE1 3.23Å; R883-E926 IonicContact NH1-OE2 3.28Å; R883-E926 PolarHBondContact NH1-OE2 2.93Å; R883-E926 IonicContact NH2-OE1 2.68Å; R883-E926 IonicContact NH2-OE2 3.44Å; R883-E926 PolarHBondContact NH2-OE2 3.36Å
884	H	55.5	Low	67.2	Low	166 Å²	166	66.4 Å²	66.4	77%	0.769	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.3	59.3	-176.6	-49.3	-73	0	0	0	112	L881 Y882 K886	L881-H884 PolarHBondContact O-N 3.42Å; Y882-H884 PolarHBondContact O-N 3.29Å; H884-K886 PolarHBondContact O-N 3.18Å
885	S	55.8	Low	66.6	Low	21 Å²	21	67 Å²	67	15%	0.147	32%	0.323	C	S	.	.			trans	-60	110.2	179.7	85	0	0	0	0	110	P880 Y882 I887	P880-S885 PolarHBondContact O-OG 3.03Å; Y882-S885 PolarHBondContact O-N 2.89Å; S885-I887 PolarHBondContact O-N 3.22Å
886	K	53.8	Low	66.1	Low	206 Å²	206	69.2 Å²	69.2	90%	0.896	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.8	18.5	-177.4	-59.4	-171.6	179.3	-174.8	0	113.6	H884	H884-K886 PolarHBondContact O-N 3.18Å
887	I	58.4	Low	65.8	Low	39 Å²	39	69.4 Å²	69.4	20%	0.2	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-53.4	-174.2	-65.4	169	0	0	0	107.8	S885 N889 R935 E938	S885-I887 PolarHBondContact O-N 3.22Å; I887-N889 PolarHBondContact O-N 3.31Å; I887-R935 HydrophobicContact CD1-CB 4.32Å; I887-R935 HydrophobicContact CD1-CG 3.79Å; I887-R935 VanDerWaalsContact CD1-O 3.31Å; I887-R935 WeakPolarHBondContact CD1-O 3.42Å; I887-E938 HydrophobicContact CG2-CB 4.12Å; I887-E938 HydrophobicContact CG2-CG 3.67Å
888	F	57.3	Low	65.8	Low	46 Å²	46	69.6 Å²	69.6	20%	0.202	34%	0.335	C	S	.	.	S	Bend	trans	-85.7	113.9	175.2	-50.7	-68.7	0	0	0	108.8	P880 W934 I940	P880-F888 HydrophobicContact CB-CD2 4.1Å; F888-W934 AromaticContact CE2-CE2 3.96Å; F888-W934 HydrophobicContact CE2-CZ2 4.19Å; F888-W934 AromaticContact CE2-NE1 3.58Å; F888-W934 AromaticContact CZ-NE1 3.95Å; F888-I940 HydrophobicContact CE1-CD1 4.09Å; F888-I940 HydrophobicContact CE1-CG1 3.6Å; F888-I940 HydrophobicContact CZ-CG1 3.99Å
889	N	50.6	Low	66	Low	132 Å²	132	69.5 Å²	69.5	71%	0.706	34%	0.335	S	S	*	.			trans	-56.6	143.3	164.4	-76.8	-60.3	0	0	0	108.5	I887 T891	I887-N889 PolarHBondContact O-N 3.31Å; N889-T891 PolarHBondContact O-N 3.45Å
890	H	46.8	Very low	66.7	Low	151 Å²	151	69.4 Å²	69.4	70%	0.699	33%	0.334	S	S	*	.	S	Bend	trans	-54.4	-8.3	-171.1	-65.6	-83.1	0	0	0	116.5	K892 Q893	H890-K892 VanDerWaalsContact C-N 3.29Å; H890-K892 PolarHBondContact O-N 2.85Å; H890-Q893 PolarHBondContact O-NE2 3.05Å
891	T	45	Very low	67.8	Low	121 Å²	121	68 Å²	68	74%	0.742	33%	0.325	S	S	*	.	S	Bend	trans	-86.4	20.8	-174.3	58.7	0	0	0	0	114.6	N889	N889-T891 PolarHBondContact O-N 3.45Å
892	K	51.8	Low	69.1	Low	149 Å²	149	66.5 Å²	66.5	65%	0.648	32%	0.315	S	S	*	.			trans	-148.9	57.2	172.5	-71.7	-157.6	173.8	-161	0	111	H890 T894	H890-K892 VanDerWaalsContact C-N 3.29Å; H890-K892 PolarHBondContact O-N 2.85Å; K892-T894 PolarHBondContact O-N 3.48Å
893	Q	55.7	Low	70.5	Confident	36 Å²	36	65.2 Å²	65.2	17%	0.168	31%	0.311	C	S	.	.			trans	-82.5	66.6	171.7	-71.7	165.5	86.3	0	0	109.5	H890 E1108 A1111	H890-Q893 PolarHBondContact O-NE2 3.05Å; Q893-E1108 HydrophobicContact CB-CG 3.82Å; Q893-E1108 PolarHBondContact NE2-OE1 2.97Å; Q893-E1108 PolarHBondContact NE2-OE2 3.25Å; Q893-A1111 VanDerWaalsContact O-CB 3.29Å; Q893-A1111 WeakPolarHBondContact O-CB 3.36Å
894	T	61.9	Low	72.2	Confident	50 Å²	50	58.6 Å²	58.6	31%	0.307	29%	0.286	S	S	.	.			trans	-124.4	140.5	-168.3	57.2	0	0	0	0	109.9	K892 H896	K892-T894 PolarHBondContact O-N 3.48Å; T894-H896 PolarHBondContact O-N 3.4Å; T894-H896 PolarHBondContact OG1-CD2 3.25Å; T894-H896 VanDerWaalsContact OG1-CD2 3.29Å
895	L	82.4	Confident	74.1	Confident	13 Å²	13	51.2 Å²	51.2	7%	0.068	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	27.1	-176	-55	172	0	0	0	114.9	E897 R898 L995 L998 A999 A1111 I1114	L895-E897 VanDerWaalsContact C-N 3.28Å; L895-E897 PolarHBondContact O-N 3.15Å; L895-R898 HydrophobicContact CB-CG 4.42Å; L895-R898 WeakPolarHBondContact O-CB 3.43Å; L895-R898 PolarHBondContact O-N 2.88Å; L895-L995 HydrophobicContact CB-CD2 3.99Å; L895-L998 HydrophobicContact CB-CD2 3.78Å; L895-L998 HydrophobicContact CB-CG 4.4Å; L895-L998 HydrophobicContact CD1-CD2 4.36Å; L895-L998 HydrophobicContact CD1-CG 4.12Å; L895-A999 HydrophobicContact CD1-CB 3.98Å; L895-A1111 HydrophobicContact CD2-CB 3.89Å; L895-A1111 HydrophobicContact CG-CB 4.09Å; L895-I1114 HydrophobicContact CD1-CD1 3.87Å
896	H	86.2	Confident	75.9	Confident	45 Å²	45	54.1 Å²	54.1	21%	0.208	26%	0.264	C	S	.	.	H	α-helix	trans	-60.4	-34.2	-172.7	-88.1	-121.7	0	0	0	113.2	T894 R898 I899	T894-H896 PolarHBondContact O-N 3.4Å; T894-H896 PolarHBondContact OG1-CD2 3.25Å; T894-H896 VanDerWaalsContact OG1-CD2 3.29Å; H896-R898 PolarHBondContact O-N 2.87Å; H896-R898 VanDerWaalsContact O-N 3.14Å; H896-I899 HydrophobicContact CB-CD1 4.37Å; H896-I899 PolarHBondContact O-N 3.41Å
897	E	88.5	Confident	77.8	Confident	6 Å²	6	46.8 Å²	46.8	3%	0.028	23%	0.233	C	C	.	.	H	α-helix	trans	-65.9	-11.6	176.3	79.5	-67.6	165.9	0	0	113.2	L895 F919 I940 F943	L895-E897 VanDerWaalsContact C-N 3.28Å; L895-E897 PolarHBondContact O-N 3.15Å; E897-F919 HydrophobicContact CG-CD1 3.82Å; E897-F919 HydrophobicContact CG-CE1 4.26Å; E897-F919 WeakPolarHBondContact O-CE1 3.39Å; E897-I940 HydrophobicContact CB-CG2 4.32Å; E897-F943 WeakPolarHBondContact O-CE1 3.3Å; E897-F943 VanDerWaalsContact O-CZ 3.24Å; E897-F943 WeakPolarHBondContact O-CZ 3.3Å
898	R	92.1	Very high	79.6	Confident	4 Å²	4	45 Å²	45	2%	0.015	22%	0.224	C	C	.	.	H	α-helix	trans	-104.3	-12.5	-179.1	-38.3	-168.9	177.1	-150.4	-3.9	113.4	D879 L895 H896 P901 Y902 F914 F919 L998 E1118	D879-R898 IonicContact OD2-NH2 2.65Å; D879-R898 PolarHBondContact OD2-NH2 3.11Å; L895-R898 HydrophobicContact CB-CG 4.42Å; L895-R898 WeakPolarHBondContact O-CB 3.43Å; L895-R898 PolarHBondContact O-N 2.88Å; H896-R898 PolarHBondContact O-N 2.87Å; H896-R898 VanDerWaalsContact O-N 3.14Å; R898-P901 WeakPolarHBondContact O-CD 3.37Å; R898-Y902 VanDerWaalsContact O-CB 3.3Å; R898-Y902 WeakPolarHBondContact O-CB 3.13Å; R898-Y902 PolarHBondContact O-N 2.75Å; R898-F914 HydrophobicContact CB-CE2 4.37Å; R898-F914 HydrophobicContact CB-CZ 4.36Å; R898-F919 HydrophobicContact CB-CE1 4.12Å; R898-F919 HydrophobicContact CB-CE2 4.27Å; R898-F919 HydrophobicContact CB-CZ 3.78Å; R898-F919 HydrophobicContact CG-CD1 4.03Å; R898-F919 HydrophobicContact CG-CD2 4.2Å; R898-F919 HydrophobicContact CG-CE1 3.74Å; R898-F919 HydrophobicContact CG-CE2 3.91Å; R898-F919 HydrophobicContact CG-CG 4.27Å; R898-F919 HydrophobicContact CG-CZ 3.68Å; R898-L998 HydrophobicContact CB-CD1 3.92Å; R898-L998 HydrophobicContact CB-CD2 4.06Å; R898-E1118 IonicContact CZ-OE1 2.71Å; R898-E1118 IonicContact CZ-OE2 2.92Å; R898-E1118 VanDerWaalsContact NH1-CD 3.3Å; R898-E1118 IonicContact NH1-OE1 3.46Å; R898-E1118 PolarHBondContact NH1-OE1 3.18Å; R898-E1118 IonicContact NH1-OE2 2.71Å; R898-E1118 PolarHBondContact NH1-OE2 2.86Å; R898-E1118 IonicContact NH2-OE1 3.44Å; R898-E1118 IonicContact NH2-OE2 3.63Å; R898-E1118 PolarHBondContact NH2-OE2 2.89Å
899	I	94.2	Very high	81.2	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-61.8	-48.5	-176.8	-63.7	174.8	0	0	0	111.7	H896 Y902 I903 F981 V984 L991 T994 L995 L998	H896-I899 HydrophobicContact CB-CD1 4.37Å; H896-I899 PolarHBondContact O-N 3.41Å; I899-Y902 WeakPolarHBondContact O-CB 3.4Å; I899-Y902 PolarHBondContact O-N 2.83Å; I899-I903 HydrophobicContact CG2-CD1 3.69Å; I899-I903 HydrophobicContact CG2-CG1 4.25Å; I899-I903 WeakPolarHBondContact O-CG1 3.43Å; I899-I903 PolarHBondContact O-N 3.03Å; I899-F981 HydrophobicContact CB-CD2 4.37Å; I899-F981 HydrophobicContact CB-CE2 3.88Å; I899-F981 HydrophobicContact CG2-CD2 3.69Å; I899-F981 HydrophobicContact CG2-CE2 3.66Å; I899-V984 HydrophobicContact CG2-CG1 4.1Å; I899-L991 HydrophobicContact CD1-CD1 3.54Å; I899-T994 HydrophobicContact CG2-CG2 4.01Å; I899-L995 HydrophobicContact CD1-CD2 3.98Å; I899-L995 HydrophobicContact CD1-CG 4.34Å; I899-L995 HydrophobicContact CG1-CD2 4.24Å; I899-L998 HydrophobicContact CG1-CD2 3.98Å
900	L	95.8	Very high	83.2	Confident	4 Å²	4	42.1 Å²	42.1	2%	0.021	22%	0.216	C	C	.	.	H	α-helix	trans	-64	-47.3	179.5	177.4	64.1	0	0	0	112.5	I860 Y902 I903 L904 F943 L978 F981	I860-L900 HydrophobicContact CG2-CD2 4.38Å; L900-Y902 VanDerWaalsContact C-N 3.26Å; L900-Y902 PolarHBondContact O-N 3.15Å; L900-I903 PolarHBondContact O-N 2.87Å; L900-L904 VanDerWaalsContact O-CB 3.28Å; L900-L904 WeakPolarHBondContact O-CB 3.41Å; L900-L904 PolarHBondContact O-N 3.42Å; L900-F943 HydrophobicContact CB-CE2 4.36Å; L900-F943 HydrophobicContact CD2-CD2 4.32Å; L900-F943 HydrophobicContact CD2-CE2 3.91Å; L900-L978 HydrophobicContact CD1-CD2 4.13Å; L900-L978 HydrophobicContact CD2-CD2 3.85Å; L900-F981 HydrophobicContact CB-CD1 4.18Å; L900-F981 HydrophobicContact CB-CD2 4.24Å; L900-F981 HydrophobicContact CB-CE1 4.16Å; L900-F981 HydrophobicContact CB-CE2 4.23Å; L900-F981 HydrophobicContact CB-CG 4.2Å; L900-F981 HydrophobicContact CB-CZ 4.16Å; L900-F981 HydrophobicContact CD1-CB 3.96Å; L900-F981 HydrophobicContact CD1-CD1 4.17Å; L900-F981 HydrophobicContact CD1-CG 4.11Å; L900-F981 HydrophobicContact CD2-CD1 4.4Å; L900-F981 HydrophobicContact CD2-CE1 4.49Å; L900-F981 HydrophobicContact CG-CD1 4.48Å
901	P	96.1	Very high	85.5	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-55.5	-36.2	169.4	-27.1	32.7	0	0	0	114.3	M875 R898 S905 F912 F914 F919 F943	M875-P901 HydrophobicContact CB-CB 4.46Å; M875-P901 HydrophobicContact CB-CG 4.19Å; M875-P901 HydrophobicContact SD-CB 4.44Å; M875-P901 HydrophobicContact SD-CG 3.89Å; R898-P901 WeakPolarHBondContact O-CD 3.37Å; P901-S905 PolarHBondContact O-N 2.65Å; P901-S905 VanDerWaalsContact O-N 3.15Å; P901-F912 HydrophobicContact CB-CE1 4.31Å; P901-F912 HydrophobicContact CB-CZ 4.33Å; P901-F912 WeakPolarHBondContact O-CE1 3.42Å; P901-F914 HydrophobicContact CB-CD2 4.1Å; P901-F914 HydrophobicContact CB-CE2 4.12Å; P901-F919 HydrophobicContact CB-CZ 4.4Å; P901-F919 HydrophobicContact CG-CE1 4.33Å; P901-F919 HydrophobicContact CG-CZ 4.19Å; P901-F943 HydrophobicContact CG-CD1 4.31Å; P901-F943 HydrophobicContact CG-CE1 3.75Å; P901-F943 HydrophobicContact CG-CZ 4.15Å
902	Y	95.7	Very high	87.9	Confident	30 Å²	30	31 Å²	31	12%	0.118	16%	0.155	C	C	.	.	H	α-helix	trans	-68.2	-52.8	177.3	172.3	-100.3	0	0	0	111.8	R898 I899 L900 L904 S905 Q906 T994 N997 L998 Q1001	R898-Y902 VanDerWaalsContact O-CB 3.3Å; R898-Y902 WeakPolarHBondContact O-CB 3.13Å; R898-Y902 PolarHBondContact O-N 2.75Å; I899-Y902 WeakPolarHBondContact O-CB 3.4Å; I899-Y902 PolarHBondContact O-N 2.83Å; L900-Y902 VanDerWaalsContact C-N 3.26Å; L900-Y902 PolarHBondContact O-N 3.15Å; Y902-L904 VanDerWaalsContact C-N 3.25Å; Y902-L904 PolarHBondContact O-N 3.07Å; Y902-S905 WeakPolarHBondContact O-CA 3.24Å; Y902-S905 WeakPolarHBondContact O-CB 3.45Å; Y902-S905 PolarHBondContact O-N 3.11Å; Y902-S905 PolarHBondContact O-OG 2.72Å; Y902-Q906 HydrophobicContact CE1-CG 4.26Å; Y902-Q906 PolarHBondContact O-N 3.24Å; Y902-T994 HydrophobicContact CD1-CG2 3.88Å; Y902-T994 HydrophobicContact CE1-CG2 3.96Å; Y902-N997 WeakPolarHBondContact OH-CB 3.45Å; Y902-L998 HydrophobicContact CD1-CB 4.4Å; Y902-L998 HydrophobicContact CD2-CB 4.26Å; Y902-L998 HydrophobicContact CD2-CD1 4.23Å; Y902-L998 HydrophobicContact CG-CB 4.21Å; Y902-L998 HydrophobicContact CG-CD1 4.23Å; Y902-Q1001 VanDerWaalsContact CD2-OE1 3.32Å; Y902-Q1001 HydrophobicContact CE2-CB 4.41Å
903	I	96.8	Very high	89.9	Confident	11 Å²	11	24.1 Å²	24.1	6%	0.056	13%	0.126	C	C	.	.	H	α-helix	trans	-54.3	-44.3	175.4	-68.8	172.2	0	0	0	110.5	I899 L900 S905 Q906 Q907 R980 F981 V984	I899-I903 HydrophobicContact CG2-CD1 3.69Å; I899-I903 HydrophobicContact CG2-CG1 4.25Å; I899-I903 WeakPolarHBondContact O-CG1 3.43Å; I899-I903 PolarHBondContact O-N 3.03Å; L900-I903 PolarHBondContact O-N 2.87Å; I903-S905 VanDerWaalsContact C-N 3.26Å; I903-S905 PolarHBondContact O-N 3.37Å; I903-Q906 WeakPolarHBondContact O-CA 3.47Å; I903-Q906 WeakPolarHBondContact O-CB 3.39Å; I903-Q906 PolarHBondContact O-N 3.14Å; I903-Q907 HydrophobicContact CG2-CG 4.42Å; I903-Q907 PolarHBondContact O-N 2.99Å; I903-R980 HydrophobicContact CG2-CB 3.84Å; I903-F981 HydrophobicContact CD1-CB 4.03Å; I903-F981 HydrophobicContact CD1-CD2 4.06Å; I903-V984 HydrophobicContact CD1-CB 4.2Å; I903-V984 HydrophobicContact CD1-CG2 3.95Å
904	L	96.4	Very high	91.7	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-63.2	-30.4	178.8	-171.8	59.4	0	0	0	112.8	M875 L900 Y902 A908 F912 M970 L974 S977	M875-L904 HydrophobicContact CE-CD2 3.53Å; M875-L904 HydrophobicContact SD-CD2 4.43Å; L900-L904 VanDerWaalsContact O-CB 3.28Å; L900-L904 WeakPolarHBondContact O-CB 3.41Å; L900-L904 PolarHBondContact O-N 3.42Å; Y902-L904 VanDerWaalsContact C-N 3.25Å; Y902-L904 PolarHBondContact O-N 3.07Å; L904-A908 HydrophobicContact CD1-CB 4.41Å; L904-A908 VanDerWaalsContact O-CB 3.28Å; L904-A908 WeakPolarHBondContact O-CB 3.4Å; L904-A908 PolarHBondContact O-N 2.97Å; L904-F912 HydrophobicContact CB-CD1 4.32Å; L904-F912 HydrophobicContact CB-CE1 4.41Å; L904-F912 HydrophobicContact CB-CG 4.48Å; L904-F912 HydrophobicContact CD2-CD2 3.63Å; L904-F912 HydrophobicContact CD2-CE1 4.47Å; L904-F912 HydrophobicContact CD2-CE2 3.51Å; L904-F912 HydrophobicContact CD2-CG 4.16Å; L904-F912 HydrophobicContact CD2-CZ 3.96Å; L904-F912 HydrophobicContact CG-CB 4.39Å; L904-F912 HydrophobicContact CG-CD1 4.21Å; L904-F912 HydrophobicContact CG-CD2 3.85Å; L904-F912 HydrophobicContact CG-CE1 4.49Å; L904-F912 HydrophobicContact CG-CE2 4.15Å; L904-F912 HydrophobicContact CG-CG 3.88Å; L904-F912 HydrophobicContact CG-CZ 4.45Å; L904-M970 HydrophobicContact CD1-CE 3.68Å; L904-M970 HydrophobicContact CD2-CE 3.76Å; L904-M970 HydrophobicContact CG-CE 3.86Å; L904-L974 HydrophobicContact CD1-CD1 4.48Å; L904-L974 HydrophobicContact CD2-CD1 4.04Å; L904-S977 VanDerWaalsContact CD1-OG 3.23Å; L904-S977 WeakPolarHBondContact CD1-OG 3.33Å
905	S	95.1	Very high	93	Very high	11 Å²	11	23.2 Å²	23.2	8%	0.077	12%	0.122	C	C	.	.	H	α-helix	trans	-73	-25.9	171.5	77.4	0	0	0	0	114.1	P901 Y902 I903 T909	P901-S905 PolarHBondContact O-N 2.65Å; P901-S905 VanDerWaalsContact O-N 3.15Å; Y902-S905 WeakPolarHBondContact O-CA 3.24Å; Y902-S905 WeakPolarHBondContact O-CB 3.45Å; Y902-S905 PolarHBondContact O-N 3.11Å; Y902-S905 PolarHBondContact O-OG 2.72Å; I903-S905 VanDerWaalsContact C-N 3.26Å; I903-S905 PolarHBondContact O-N 3.37Å; S905-T909 WeakPolarHBondContact O-CG2 3.33Å
906	Q	94.3	Very high	93.4	Very high	82 Å²	82	24.5 Å²	24.5	38%	0.383	13%	0.13	S	C	.	.	H	α-helix	trans	-80.6	-29	174.6	-54	-53.5	-42.1	0	0	112.1	Y902 I903 T909	Y902-Q906 HydrophobicContact CE1-CG 4.26Å; Y902-Q906 PolarHBondContact O-N 3.24Å; I903-Q906 WeakPolarHBondContact O-CA 3.47Å; I903-Q906 WeakPolarHBondContact O-CB 3.39Å; I903-Q906 PolarHBondContact O-N 3.14Å; Q906-T909 WeakPolarHBondContact O-CG2 3.5Å
907	Q	93.9	Very high	93.7	Very high	53 Å²	53	22.8 Å²	22.8	25%	0.248	12%	0.123	C	C	.	.	H	α-helix	trans	-87.4	-38.1	176.9	-61.3	-42.2	-61.2	0	0	113.5	I903 R980	I903-Q907 HydrophobicContact CG2-CG 4.42Å; I903-Q907 PolarHBondContact O-N 2.99Å; Q907-R980 VanDerWaalsContact CD-CD 3.43Å; Q907-R980 VanDerWaalsContact CD-CZ 3.49Å
908	A	94.5	Very high	93.7	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.133	C	C	.	.			trans	-109.4	50.8	-175.6	0	0	0	0	0	110.9	L904 S910 Y911 F912 M970 L973	L904-A908 HydrophobicContact CD1-CB 4.41Å; L904-A908 VanDerWaalsContact O-CB 3.28Å; L904-A908 WeakPolarHBondContact O-CB 3.4Å; L904-A908 PolarHBondContact O-N 2.97Å; A908-S910 VanDerWaalsContact C-N 3.26Å; A908-S910 PolarHBondContact O-N 2.73Å; A908-Y911 HydrophobicContact CB-CD2 4.29Å; A908-Y911 CarbonylContact O-C 2.95Å; A908-Y911 PolarHBondContact O-N 3.5Å; A908-F912 HydrophobicContact CB-CB 3.93Å; A908-F912 PolarHBondContact O-N 2.7Å; A908-M970 HydrophobicContact CB-CE 4.42Å; A908-M970 HydrophobicContact CB-SD 4.02Å; A908-L973 HydrophobicContact CB-CB 4.3Å; A908-L973 HydrophobicContact CB-CD1 3.86Å
909	T	92.4	Very high	93.6	Very high	91 Å²	91	25.8 Å²	25.8	56%	0.558	13%	0.134	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-33.2	-171.9	55.1	0	0	0	0	114.3	S905 Q906 L954	S905-T909 WeakPolarHBondContact O-CG2 3.33Å; Q906-T909 WeakPolarHBondContact O-CG2 3.5Å; T909-L954 WeakPolarHBondContact O-CD1 3.45Å
910	S	91.6	Very high	93.1	Very high	28 Å²	28	26.7 Å²	26.7	20%	0.196	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-21.4	174.1	51	0	0	0	0	113.7	A908 S952	A908-S910 VanDerWaalsContact C-N 3.26Å; A908-S910 PolarHBondContact O-N 2.73Å; S910-S952 WeakPolarHBondContact O-CB 3.27Å; S910-S952 PolarHBondContact O-OG 2.82Å
911	Y	94.6	Very high	92.5	Very high	33 Å²	33	26.7 Å²	26.7	13%	0.129	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.5	-44	-168	-60.5	-64.3	0	0	0	114.1	I873 A908 F962 D966 K969 M970 L973	I873-Y911 WeakPolarHBondContact CB-O 3.34Å; I873-Y911 PolarHBondContact N-O 2.15Å; A908-Y911 HydrophobicContact CB-CD2 4.29Å; A908-Y911 CarbonylContact O-C 2.95Å; A908-Y911 PolarHBondContact O-N 3.5Å; Y911-F962 HydrophobicContact CD1-CD1 4.21Å; Y911-F962 AromaticContact CD1-CE1 3.47Å; Y911-F962 HydrophobicContact CD1-CE1 3.47Å; Y911-F962 VanDerWaalsContact CD1-CE1 3.47Å; Y911-F962 AromaticContact CD1-CZ 3.74Å; Y911-F962 HydrophobicContact CD1-CZ 3.74Å; Y911-F962 HydrophobicContact CE1-CD1 4.19Å; Y911-F962 AromaticContact CE1-CE1 3.83Å; Y911-F962 HydrophobicContact CE1-CE1 3.83Å; Y911-D966 HydrophobicContact CE1-CB 3.68Å; Y911-D966 WeakPolarHBondContact CE1-OD1 3.38Å; Y911-D966 PolarHBondContact OH-OD1 2.65Å; Y911-K969 HydrophobicContact CE2-CG 4.38Å; Y911-M970 HydrophobicContact CG-SD 4.42Å; Y911-L973 HydrophobicContact CD2-CD1 3.86Å; Y911-L973 HydrophobicContact CE2-CD1 4.04Å
912	F	96.2	Very high	91.9	Very high	5 Å²	5	30.5 Å²	30.5	2%	0.022	16%	0.157	C	C	.	.	B	Isolated β-bridge	trans	-110.6	121.2	-162.2	-168	-85.1	0	0	0	113	I873 F874 M875 P901 L904 A908 M970	I873-F912 HydrophobicContact CB-CD2 4.22Å; I873-F912 HydrophobicContact CG2-CD2 3.9Å; I873-F912 HydrophobicContact CG2-CE2 4.35Å; I873-F912 CarbonylContact O-C 3.58Å; I873-F912 WeakPolarHBondContact O-CA 3.41Å; F874-F912 VanDerWaalsContact CA-CE2 3.49Å; M875-F912 HydrophobicContact CB-CE2 4.47Å; M875-F912 HydrophobicContact CB-CZ 3.99Å; M875-F912 HydrophobicContact CG-CE2 3.9Å; M875-F912 HydrophobicContact CG-CZ 3.79Å; M875-F912 HydrophobicContact SD-CZ 4.32Å; P901-F912 HydrophobicContact CB-CE1 4.31Å; P901-F912 HydrophobicContact CB-CZ 4.33Å; P901-F912 WeakPolarHBondContact O-CE1 3.42Å; L904-F912 HydrophobicContact CB-CD1 4.32Å; L904-F912 HydrophobicContact CB-CE1 4.41Å; L904-F912 HydrophobicContact CB-CG 4.48Å; L904-F912 HydrophobicContact CD2-CD2 3.63Å; L904-F912 HydrophobicContact CD2-CE1 4.47Å; L904-F912 HydrophobicContact CD2-CE2 3.51Å; L904-F912 HydrophobicContact CD2-CG 4.16Å; L904-F912 HydrophobicContact CD2-CZ 3.96Å; L904-F912 HydrophobicContact CG-CB 4.39Å; L904-F912 HydrophobicContact CG-CD1 4.21Å; L904-F912 HydrophobicContact CG-CD2 3.85Å; L904-F912 HydrophobicContact CG-CE1 4.49Å; L904-F912 HydrophobicContact CG-CE2 4.15Å; L904-F912 HydrophobicContact CG-CG 3.88Å; L904-F912 HydrophobicContact CG-CZ 4.45Å; A908-F912 HydrophobicContact CB-CB 3.93Å; A908-F912 PolarHBondContact O-N 2.7Å; F912-M970 HydrophobicContact CB-CE 4.33Å; F912-M970 HydrophobicContact CD2-CE 3.79Å; F912-M970 HydrophobicContact CG-CE 4.44Å
913	S	94.1	Very high	91.3	Very high	5 Å²	5	32.7 Å²	32.7	4%	0.035	17%	0.174	C	C	.	.			trans	-103.8	100.4	-174.7	-176.3	0	0	0	0	111.2	I873 N916 C917	I873-S913 PolarHBondContact O-N 2.86Å; S913-N916 PolarHBondContact O-N 3.4Å; S913-N916 VanDerWaalsContact OG-CG 3.32Å; S913-N916 PolarHBondContact OG-N 3.45Å; S913-C917 PolarHBondContact O-SG 2.75Å; S913-C917 VanDerWaalsContact O-SG 3.35Å
914	F	93.4	Very high	90.6	Very high	10 Å²	10	34.8 Å²	34.8	4%	0.044	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-56.9	-41.5	169.4	-170.7	-103.2	0	0	0	113.1	R898 P901 N916 C917 F919 L998	R898-F914 HydrophobicContact CB-CE2 4.37Å; R898-F914 HydrophobicContact CB-CZ 4.36Å; P901-F914 HydrophobicContact CB-CD2 4.1Å; P901-F914 HydrophobicContact CB-CE2 4.12Å; F914-N916 PolarHBondContact O-N 3.41Å; F914-C917 WeakPolarHBondContact O-CB 3.2Å; F914-C917 PolarHBondContact O-N 2.93Å; F914-F919 HydrophobicContact CE2-CZ 4.5Å; F914-L998 HydrophobicContact CE1-CD1 4.04Å; F914-L998 HydrophobicContact CE2-CD1 4.08Å; F914-L998 HydrophobicContact CZ-CD1 3.39Å
915	P	89.5	Confident	90.2	Very high	56 Å²	56	35 Å²	35	36%	0.364	19%	0.191	S	C	.	.	G	3₁₀ helix	trans	-59.4	-28.2	175.6	-24.1	33.4	0	0	0	115	C917	P915-C917 VanDerWaalsContact C-N 3.32Å
916	N	90.2	Very high	89.9	Confident	41 Å²	41	36 Å²	36	22%	0.219	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-79.1	-14.3	177.7	-76.7	-6.4	0	0	0	113.6	R870 N871 N872 F874 S913 F914	R870-N916 PolarHBondContact NH1-O 2.98Å; N871-N916 PolarHBondContact O-ND2 3.48Å; N872-N916 PolarHBondContact ND2-ND2 2.86Å; F874-N916 HydrophobicContact CB-CB 3.74Å; F874-N916 HydrophobicContact CD1-CB 3.71Å; F874-N916 HydrophobicContact CD2-CB 4.34Å; F874-N916 HydrophobicContact CE1-CB 4.42Å; F874-N916 HydrophobicContact CG-CB 3.68Å; S913-N916 PolarHBondContact O-N 3.4Å; S913-N916 VanDerWaalsContact OG-CG 3.32Å; S913-N916 PolarHBondContact OG-N 3.45Å; F914-N916 PolarHBondContact O-N 3.41Å
917	C	92.2	Very high	89.9	Confident	9 Å²	9	33.1 Å²	33.1	6%	0.061	19%	0.185	C	C	.	.			trans	-66.5	152.7	179.8	-63	0	0	0	0	111.9	M875 S913 F914 P915 F919	M875-C917 PolarHBondContact N-SG 3.41Å; M875-C917 WeakPolarHBondContact O-CA 3.47Å; M875-C917 WeakPolarHBondContact O-CB 3.35Å; S913-C917 PolarHBondContact O-SG 2.75Å; S913-C917 VanDerWaalsContact O-SG 3.35Å; F914-C917 WeakPolarHBondContact O-CB 3.2Å; F914-C917 PolarHBondContact O-N 2.93Å; P915-C917 VanDerWaalsContact C-N 3.32Å; C917-F919 HydrophobicContact CB-CE2 4.19Å; C917-F919 HydrophobicContact CB-CZ 4.38Å
918	R	89.4	Confident	90	Very high	68 Å²	68	30.8 Å²	30.8	26%	0.257	17%	0.174	S	C	.	.	B	Isolated β-bridge	trans	-140.1	140.2	173.4	-61.3	-67	175.1	99.1	5.5	112.1	M875 Y876 G877 E1152	M875-R918 PolarHBondContact O-N 3.04Å; Y876-R918 CarbonylContact C-O 3.59Å; Y876-R918 VanDerWaalsContact CA-O 3.23Å; Y876-R918 WeakPolarHBondContact CA-O 3.17Å; Y876-R918 HydrophobicContact CD1-CB 3.77Å; Y876-R918 HydrophobicContact CD1-CG 4.41Å; Y876-R918 HydrophobicContact CE1-CB 3.95Å; Y876-R918 HydrophobicContact CE1-CG 4.11Å; G877-R918 PolarHBondContact N-O 3Å; R918-E1152 WeakPolarHBondContact CB-OE2 3.35Å
919	F	88.6	Confident	90.1	Very high	5 Å²	5	30.8 Å²	30.8	2%	0.022	17%	0.174	C	C	.	.			trans	-112.2	-16.3	-179.2	-59.6	-84.1	0	0	0	112.5	D879 E897 R898 P901 F914 C917	D879-F919 HydrophobicContact CB-CB 4.18Å; D879-F919 VanDerWaalsContact CB-O 3.29Å; D879-F919 WeakPolarHBondContact CB-O 3.25Å; D879-F919 PolarHBondContact N-O 3.32Å; E897-F919 HydrophobicContact CG-CD1 3.82Å; E897-F919 HydrophobicContact CG-CE1 4.26Å; E897-F919 WeakPolarHBondContact O-CE1 3.39Å; R898-F919 HydrophobicContact CB-CE1 4.12Å; R898-F919 HydrophobicContact CB-CE2 4.27Å; R898-F919 HydrophobicContact CB-CZ 3.78Å; R898-F919 HydrophobicContact CG-CD1 4.03Å; R898-F919 HydrophobicContact CG-CD2 4.2Å; R898-F919 HydrophobicContact CG-CE1 3.74Å; R898-F919 HydrophobicContact CG-CE2 3.91Å; R898-F919 HydrophobicContact CG-CG 4.27Å; R898-F919 HydrophobicContact CG-CZ 3.68Å; P901-F919 HydrophobicContact CB-CZ 4.4Å; P901-F919 HydrophobicContact CG-CE1 4.33Å; P901-F919 HydrophobicContact CG-CZ 4.19Å; F914-F919 HydrophobicContact CE2-CZ 4.5Å; C917-F919 HydrophobicContact CB-CE2 4.19Å; C917-F919 HydrophobicContact CB-CZ 4.38Å
920	T	83.8	Confident	90.2	Very high	18 Å²	18	26.7 Å²	26.7	11%	0.11	15%	0.149	C	C	.	.	S	Bend	trans	-62.6	161.4	167.5	45.3	0	0	0	0	111.2	E1122	T920-E1122 WeakPolarHBondContact CB-OE1 3.41Å; T920-E1122 WeakPolarHBondContact CG2-OE1 3.45Å; T920-E1122 PolarHBondContact OG1-OE1 2.92Å
921	I	84.5	Confident	90.4	Very high	5 Å²	5	25.4 Å²	25.4	3%	0.026	14%	0.14	C	C	.	.			trans	-131.4	99.4	-171.8	-56	173.9	0	0	0	109.6	C878 Y882 E926 V931 W934	C878-I921 HydrophobicContact CB-CD1 4.05Å; Y882-I921 HydrophobicContact CD1-CB 4.27Å; Y882-I921 HydrophobicContact CD1-CD1 4.04Å; Y882-I921 HydrophobicContact CD2-CB 3.93Å; Y882-I921 HydrophobicContact CD2-CG1 4.41Å; Y882-I921 HydrophobicContact CE1-CB 4.1Å; Y882-I921 HydrophobicContact CE1-CG2 4.3Å; Y882-I921 HydrophobicContact CE2-CB 3.75Å; Y882-I921 WeakPolarHBondContact CE2-O 3.36Å; Y882-I921 HydrophobicContact CG-CB 4.17Å; Y882-I921 HydrophobicContact CG-CD1 4.04Å; Y882-I921 HydrophobicContact CG-CG1 4.35Å; Y882-I921 PolarHBondContact OH-O 2.7Å; I921-E926 HydrophobicContact CG2-CG 4.47Å; I921-V931 HydrophobicContact CD1-CG1 4.27Å; I921-V931 HydrophobicContact CD1-CG2 4.2Å; I921-V931 HydrophobicContact CG1-CG2 4.43Å; I921-V931 HydrophobicContact CG2-CG1 4.22Å; I921-V931 HydrophobicContact CG2-CG2 3.8Å; I921-W934 HydrophobicContact CD1-CE3 4.36Å; I921-W934 HydrophobicContact CD1-CH2 4.24Å; I921-W934 HydrophobicContact CD1-CZ3 3.93Å
922	H	83	Confident	90.4	Very high	80 Å²	80	24.1 Å²	24.1	37%	0.37	14%	0.135	S	C	.	.			trans	-61.1	136.8	173.2	-176.1	-97.7	0	0	0	111.6	S924 K925 E1152	H922-S924 PolarHBondContact ND1-N 2.95Å; H922-S924 PolarHBondContact ND1-OG 2.82Å; H922-S924 PolarHBondContact O-N 2.87Å; H922-K925 HydrophobicContact CB-CG 4.06Å; H922-K925 WeakPolarHBondContact O-CB 3.4Å; H922-K925 WeakPolarHBondContact O-CG 3.31Å; H922-K925 PolarHBondContact O-N 2.74Å; H922-E1152 PolarHBondContact N-OE1 2.87Å; H922-E1152 VanDerWaalsContact N-OE1 3.11Å
923	P	82.5	Confident	90.4	Very high	75 Å²	75	23.9 Å²	23.9	49%	0.487	13%	0.134	S	C	.	.	G	3₁₀ helix	trans	-56.1	-25.7	-173.3	-30.3	37	0	0	0	116.7	K925	P923-K925 PolarHBondContact O-N 2.8Å
924	S	82.5	Confident	90.3	Very high	56 Å²	56	23.7 Å²	23.7	39%	0.392	13%	0.133	S	C	.	.	G	3₁₀ helix	trans	-68	-20.3	174.3	64.9	0	0	0	0	113.6	H922	H922-S924 PolarHBondContact ND1-N 2.95Å; H922-S924 PolarHBondContact ND1-OG 2.82Å; H922-S924 PolarHBondContact O-N 2.87Å
925	K	87.9	Confident	90.2	Very high	4 Å²	4	27 Å²	27	2%	0.017	15%	0.145	C	C	.	.	G	3₁₀ helix	trans	-89.5	-4.1	-176.1	-42.3	-60.7	-178.4	176.8	0	113.5	H922 P923 A927 T928 D1150 S1151	H922-K925 HydrophobicContact CB-CG 4.06Å; H922-K925 WeakPolarHBondContact O-CB 3.4Å; H922-K925 WeakPolarHBondContact O-CG 3.31Å; H922-K925 PolarHBondContact O-N 2.74Å; P923-K925 PolarHBondContact O-N 2.8Å; K925-A927 PolarHBondContact O-N 2.83Å; K925-T928 HydrophobicContact CB-CG2 4.14Å; K925-T928 WeakPolarHBondContact O-CB 3.35Å; K925-T928 VanDerWaalsContact O-CG2 3.3Å; K925-T928 WeakPolarHBondContact O-CG2 3.49Å; K925-T928 PolarHBondContact O-N 2.87Å; K925-T928 PolarHBondContact O-OG1 3.38Å; K925-D1150 PolarHBondContact NZ-O 3.16Å; K925-D1150 IonicContact NZ-OD1 3.9Å; K925-D1150 PolarHBondContact NZ-OD1 2.91Å; K925-S1151 VanDerWaalsContact NZ-C 3.35Å; K925-S1151 PolarHBondContact NZ-O 2.87Å
926	E	90.1	Very high	90.3	Very high	31 Å²	31	28.5 Å²	28.5	15%	0.145	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-6.4	-176.7	-67.7	-160.6	99.7	0	0	115.4	R883 I921 R935	R883-E926 VanDerWaalsContact CZ-CD 3.45Å; R883-E926 IonicContact CZ-OE1 3.53Å; R883-E926 IonicContact CZ-OE2 3.79Å; R883-E926 IonicContact NH1-OE1 3.55Å; R883-E926 PolarHBondContact NH1-OE1 3.23Å; R883-E926 IonicContact NH1-OE2 3.28Å; R883-E926 PolarHBondContact NH1-OE2 2.93Å; R883-E926 IonicContact NH2-OE1 2.68Å; R883-E926 IonicContact NH2-OE2 3.44Å; R883-E926 PolarHBondContact NH2-OE2 3.36Å; I921-E926 HydrophobicContact CG2-CG 4.47Å; E926-R935 IonicContact OE1-CZ 3.19Å; E926-R935 VanDerWaalsContact OE1-CZ 3.23Å; E926-R935 IonicContact OE1-NH1 2.6Å; E926-R935 PolarHBondContact OE1-NH1 3.2Å; E926-R935 IonicContact OE1-NH2 2.74Å; E926-R935 PolarHBondContact OE1-NH2 3.23Å
927	A	93.1	Very high	90.4	Very high	23 Å²	23	28 Å²	28	19%	0.19	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.6	12.4	174.9	0	0	0	0	0	113.7	R829 Y831 R832 K925	R829-A927 CarbonylContact C-O 3.48Å; R829-A927 WeakPolarHBondContact O-CB 3.33Å; Y831-A927 PolarHBondContact N-O 2.8Å; R832-A927 HydrophobicContact CB-CB 4.47Å; K925-A927 PolarHBondContact O-N 2.83Å
928	T	96	Very high	90.3	Very high	3 Å²	3	32.4 Å²	32.4	2%	0.018	16%	0.163	C	C	.	.	S	Bend	trans	-69.6	156.8	171	51.9	0	0	0	0	112.5	N828 K925 V931 V932	N828-T928 WeakPolarHBondContact O-CA 3.28Å; N828-T928 VanDerWaalsContact OD1-CA 3.23Å; N828-T928 WeakPolarHBondContact OD1-CA 3.35Å; N828-T928 WeakPolarHBondContact OD1-CB 3.39Å; K925-T928 HydrophobicContact CB-CG2 4.14Å; K925-T928 WeakPolarHBondContact O-CB 3.35Å; K925-T928 VanDerWaalsContact O-CG2 3.3Å; K925-T928 WeakPolarHBondContact O-CG2 3.49Å; K925-T928 PolarHBondContact O-N 2.87Å; K925-T928 PolarHBondContact O-OG1 3.38Å; T928-V931 WeakPolarHBondContact OG1-CB 3.07Å; T928-V931 VanDerWaalsContact OG1-CG2 3.25Å; T928-V931 WeakPolarHBondContact OG1-CG2 3.18Å; T928-V931 PolarHBondContact OG1-N 3.32Å; T928-V932 WeakPolarHBondContact O-CB 3.44Å; T928-V932 WeakPolarHBondContact O-CG2 3.48Å; T928-V932 PolarHBondContact O-N 2.76Å
929	S	96.5	Very high	90.4	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-44.1	-63.9	165.2	49	0	0	0	0	112.1	N828 Y831 Y861 D863 V931 V932 F933	N828-S929 PolarHBondContact OD1-N 3.28Å; N828-S929 PolarHBondContact OD1-OG 3.21Å; Y831-S929 VanDerWaalsContact CD2-N 3.26Å; Y861-S929 WeakPolarHBondContact OH-CB 3.26Å; D863-S929 WeakPolarHBondContact OD2-CB 3.47Å; D863-S929 PolarHBondContact OD2-OG 2.81Å; S929-V931 PolarHBondContact O-N 3.03Å; S929-V932 PolarHBondContact O-N 2.83Å; S929-F933 VanDerWaalsContact O-CD2 3.3Å; S929-F933 WeakPolarHBondContact O-CD2 3.46Å; S929-F933 VanDerWaalsContact O-CG 3.31Å; S929-F933 WeakPolarHBondContact O-CG 3.36Å; S929-F933 PolarHBondContact O-N 2.87Å
930	R	95.4	Very high	90.5	Very high	6 Å²	6	31.4 Å²	31.4	2%	0.023	16%	0.162	C	C	.	.	H	α-helix	trans	-43.3	-62	178.2	160.7	167.9	59.8	108.1	-4.4	112.5	Y876 G877 C878 V932 F933 W934 S942 T944	Y876-R930 VanDerWaalsContact CB-NH2 3.26Å; Y876-R930 WeakPolarHBondContact O-CD 3.09Å; Y876-R930 PolarHBondContact O-NE 3.02Å; G877-R930 WeakPolarHBondContact O-CD 3.43Å; G877-R930 PolarHBondContact O-NH1 3.1Å; C878-R930 WeakPolarHBondContact SG-CG 3.15Å; R930-V932 VanDerWaalsContact C-N 3.34Å; R930-V932 PolarHBondContact O-N 3.35Å; R930-F933 PolarHBondContact O-N 3.39Å; R930-W934 VanDerWaalsContact O-CB 3.3Å; R930-W934 WeakPolarHBondContact O-CB 3.22Å; R930-W934 PolarHBondContact O-N 3.21Å; R930-S942 WeakPolarHBondContact CA-OG 3.33Å; R930-S942 WeakPolarHBondContact CD-O 3.44Å; R930-S942 WeakPolarHBondContact CG-O 3.42Å; R930-S942 PolarHBondContact O-OG 2.83Å; R930-T944 PolarHBondContact NE-OG1 3.21Å
931	V	94.4	Very high	90.9	Very high	1 Å²	1	31.2 Å²	31.2	1%	0.006	16%	0.16	C	C	.	.	H	α-helix	trans	-71.1	-32.2	-172.2	-179.2	0	0	0	0	111.2	I921 T928 S929 W934 R935	I921-V931 HydrophobicContact CD1-CG1 4.27Å; I921-V931 HydrophobicContact CD1-CG2 4.2Å; I921-V931 HydrophobicContact CG1-CG2 4.43Å; I921-V931 HydrophobicContact CG2-CG1 4.22Å; I921-V931 HydrophobicContact CG2-CG2 3.8Å; T928-V931 WeakPolarHBondContact OG1-CB 3.07Å; T928-V931 VanDerWaalsContact OG1-CG2 3.25Å; T928-V931 WeakPolarHBondContact OG1-CG2 3.18Å; T928-V931 PolarHBondContact OG1-N 3.32Å; S929-V931 PolarHBondContact O-N 3.03Å; V931-W934 HydrophobicContact CG1-CE3 4.32Å; V931-R935 WeakPolarHBondContact O-CB 3.37Å; V931-R935 PolarHBondContact O-N 2.8Å; V931-R935 VanDerWaalsContact O-N 3.1Å
932	V	95	Very high	91.5	Very high	5 Å²	5	31 Å²	31	3%	0.03	16%	0.159	C	C	.	.	H	α-helix	trans	-69.9	-43.3	176.3	166.4	0	0	0	0	111.5	R832 K846 T928 S929 R930 R935 E936	R832-V932 HydrophobicContact CB-CG2 4.23Å; K846-V932 HydrophobicContact CD-CG1 4.39Å; K846-V932 VanDerWaalsContact NZ-CG1 3.35Å; T928-V932 WeakPolarHBondContact O-CB 3.44Å; T928-V932 WeakPolarHBondContact O-CG2 3.48Å; T928-V932 PolarHBondContact O-N 2.76Å; S929-V932 PolarHBondContact O-N 2.83Å; R930-V932 VanDerWaalsContact C-N 3.34Å; R930-V932 PolarHBondContact O-N 3.35Å; V932-R935 PolarHBondContact O-N 3.22Å; V932-E936 HydrophobicContact CG1-CG 4.39Å; V932-E936 VanDerWaalsContact O-CB 3.29Å; V932-E936 WeakPolarHBondContact O-CB 3.38Å; V932-E936 PolarHBondContact O-N 2.77Å
933	F	95.5	Very high	92.2	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-75.5	-37.3	-177.7	-60.2	-29.6	0	0	0	112.7	Y831 V845 K846 V849 Y861 S929 R930 R935 F937 E938 V939	Y831-F933 HydrophobicContact CD1-CE1 4.03Å; Y831-F933 HydrophobicContact CD1-CE2 4.04Å; Y831-F933 AromaticContact CD1-CZ 3.42Å; Y831-F933 HydrophobicContact CD1-CZ 3.42Å; Y831-F933 VanDerWaalsContact CD1-CZ 3.42Å; Y831-F933 AromaticContact CE1-CE2 3.87Å; Y831-F933 HydrophobicContact CE1-CE2 3.87Å; Y831-F933 AromaticContact CE1-CZ 3.5Å; Y831-F933 HydrophobicContact CE1-CZ 3.5Å; V845-F933 HydrophobicContact CG1-CE2 3.85Å; V845-F933 HydrophobicContact CG1-CZ 3.81Å; K846-F933 HydrophobicContact CB-CE1 3.97Å; K846-F933 HydrophobicContact CB-CZ 4.33Å; K846-F933 HydrophobicContact CD-CE1 4.38Å; K846-F933 HydrophobicContact CG-CE1 4.01Å; V849-F933 HydrophobicContact CB-CD1 4.36Å; V849-F933 HydrophobicContact CB-CE1 4.45Å; V849-F933 HydrophobicContact CB-CG 4.45Å; V849-F933 HydrophobicContact CG1-CB 4.2Å; V849-F933 HydrophobicContact CG1-CD1 4.26Å; V849-F933 HydrophobicContact CG1-CD2 4.48Å; V849-F933 HydrophobicContact CG1-CG 4.07Å; V849-F933 HydrophobicContact CG2-CD1 4.41Å; V849-F933 HydrophobicContact CG2-CD2 3.92Å; V849-F933 HydrophobicContact CG2-CE1 4.31Å; V849-F933 HydrophobicContact CG2-CE2 3.8Å; V849-F933 HydrophobicContact CG2-CG 4.22Å; V849-F933 HydrophobicContact CG2-CZ 3.99Å; Y861-F933 AromaticContact CD1-CD2 3.8Å; Y861-F933 HydrophobicContact CD1-CD2 3.8Å; Y861-F933 AromaticContact CD2-CD2 3.86Å; Y861-F933 HydrophobicContact CD2-CD2 3.86Å; Y861-F933 HydrophobicContact CD2-CE2 4.14Å; Y861-F933 AromaticContact CE1-CD2 3.69Å; Y861-F933 HydrophobicContact CE1-CD2 3.69Å; Y861-F933 HydrophobicContact CE1-CE2 4.02Å; Y861-F933 AromaticContact CE2-CD2 3.8Å; Y861-F933 HydrophobicContact CE2-CD2 3.8Å; Y861-F933 AromaticContact CE2-CE2 3.65Å; Y861-F933 HydrophobicContact CE2-CE2 3.65Å; Y861-F933 AromaticContact CG-CD2 3.88Å; Y861-F933 HydrophobicContact CG-CD2 3.88Å; Y861-F933 AromaticContact CZ-CD2 3.72Å; Y861-F933 AromaticContact CZ-CE2 3.59Å; S929-F933 VanDerWaalsContact O-CD2 3.3Å; S929-F933 WeakPolarHBondContact O-CD2 3.46Å; S929-F933 VanDerWaalsContact O-CG 3.31Å; S929-F933 WeakPolarHBondContact O-CG 3.36Å; S929-F933 PolarHBondContact O-N 2.87Å; R930-F933 PolarHBondContact O-N 3.39Å; F933-R935 VanDerWaalsContact C-N 3.32Å; F933-R935 PolarHBondContact O-N 3.2Å; F933-F937 HydrophobicContact CB-CD2 4.38Å; F933-F937 AromaticContact CD1-CD2 3.64Å; F933-F937 HydrophobicContact CD1-CD2 3.64Å; F933-F937 AromaticContact CD1-CE2 3.57Å; F933-F937 HydrophobicContact CD1-CE2 3.57Å; F933-F937 HydrophobicContact CE1-CD2 4.38Å; F933-F937 AromaticContact CE1-CE2 3.89Å; F933-F937 HydrophobicContact CE1-CE2 3.89Å; F933-F937 HydrophobicContact CG-CD2 4.35Å; F933-F937 CarbonylContact O-C 3.51Å; F933-F937 WeakPolarHBondContact O-CA 3.29Å; F933-F937 PolarHBondContact O-N 2.84Å; F933-F937 VanDerWaalsContact O-N 3.11Å; F933-E938 PolarHBondContact O-N 3.19Å; F933-V939 HydrophobicContact CB-CG2 4.38Å; F933-V939 PolarHBondContact O-N 2.78Å
934	W	93.1	Very high	92.9	Very high	2 Å²	2	23.7 Å²	23.7	1%	0.008	12%	0.119	C	C	.	.	H	α-helix	trans	-54.7	-47.2	166.2	171.9	81	0	0	0	111.9	C878 D879 F888 I921 R930 V931 E938 V939	C878-W934 HydrophobicContact CB-CB 4.19Å; C878-W934 HydrophobicContact CB-CD2 3.5Å; C878-W934 VanDerWaalsContact CB-CD2 3.5Å; C878-W934 HydrophobicContact CB-CE3 4.09Å; C878-W934 HydrophobicContact CB-CG 3.52Å; C878-W934 HydrophobicContact CB-CZ2 4.25Å; C878-W934 PolarHBondContact O-NE1 3.43Å; D879-W934 WeakPolarHBondContact O-CZ2 3.14Å; F888-W934 AromaticContact CE2-CE2 3.96Å; F888-W934 HydrophobicContact CE2-CZ2 4.19Å; F888-W934 AromaticContact CE2-NE1 3.58Å; F888-W934 AromaticContact CZ-NE1 3.95Å; I921-W934 HydrophobicContact CD1-CE3 4.36Å; I921-W934 HydrophobicContact CD1-CH2 4.24Å; I921-W934 HydrophobicContact CD1-CZ3 3.93Å; R930-W934 VanDerWaalsContact O-CB 3.3Å; R930-W934 WeakPolarHBondContact O-CB 3.22Å; R930-W934 PolarHBondContact O-N 3.21Å; V931-W934 HydrophobicContact CG1-CE3 4.32Å; W934-E938 VanDerWaalsContact O-CA 3.32Å; W934-E938 WeakPolarHBondContact O-CA 3.28Å; W934-E938 PolarHBondContact O-N 3.46Å; W934-V939 WeakPolarHBondContact CA-O 3.35Å
935	R	90.1	Very high	93.6	Very high	78 Å²	78	21 Å²	21	29%	0.294	10%	0.1	S	C	.	.	H	α-helix	trans	-86.1	-32.7	-171.2	-163	-178	-63.7	-174.7	-1.3	115.7	I887 E926 V931 V932 F933	I887-R935 HydrophobicContact CD1-CB 4.32Å; I887-R935 HydrophobicContact CD1-CG 3.79Å; I887-R935 VanDerWaalsContact CD1-O 3.31Å; I887-R935 WeakPolarHBondContact CD1-O 3.42Å; E926-R935 IonicContact OE1-CZ 3.19Å; E926-R935 VanDerWaalsContact OE1-CZ 3.23Å; E926-R935 IonicContact OE1-NH1 2.6Å; E926-R935 PolarHBondContact OE1-NH1 3.2Å; E926-R935 IonicContact OE1-NH2 2.74Å; E926-R935 PolarHBondContact OE1-NH2 3.23Å; V931-R935 WeakPolarHBondContact O-CB 3.37Å; V931-R935 PolarHBondContact O-N 2.8Å; V931-R935 VanDerWaalsContact O-N 3.1Å; V932-R935 PolarHBondContact O-N 3.22Å; F933-R935 VanDerWaalsContact C-N 3.32Å; F933-R935 PolarHBondContact O-N 3.2Å
936	E	92	Very high	94.1	Very high	89 Å²	89	21.4 Å²	21.4	42%	0.416	10%	0.102	S	C	.	.	H	α-helix	trans	-97.8	-21.9	-177.4	-66.8	-174.1	-144.4	0	0	113.4	K846 V932	K846-E936 WeakPolarHBondContact CE-OE2 3.39Å; K846-E936 IonicContact NZ-OE1 3.87Å; K846-E936 PolarHBondContact NZ-OE1 2.87Å; K846-E936 IonicContact NZ-OE2 2.72Å; K846-E936 PolarHBondContact NZ-OE2 3.41Å; V932-E936 HydrophobicContact CG1-CG 4.39Å; V932-E936 VanDerWaalsContact O-CB 3.29Å; V932-E936 WeakPolarHBondContact O-CB 3.38Å; V932-E936 PolarHBondContact O-N 2.77Å
937	F	91.9	Very high	94.4	Very high	29 Å²	29	20 Å²	20	13%	0.127	10%	0.095	C	C	.	.	H	α-helix	trans	-127.6	10	-177.1	-51	-45	0	0	0	113.6	K846 V849 K850 K853 F933 V939	K846-F937 HydrophobicContact CG-CE2 4.01Å; K846-F937 HydrophobicContact CG-CZ 3.93Å; V849-F937 HydrophobicContact CB-CD2 4.1Å; V849-F937 HydrophobicContact CB-CE2 4.29Å; V849-F937 HydrophobicContact CG1-CB 4.49Å; V849-F937 HydrophobicContact CG1-CD2 3.62Å; V849-F937 HydrophobicContact CG1-CE2 4.3Å; V849-F937 HydrophobicContact CG1-CG 4.43Å; K850-F937 HydrophobicContact CB-CD1 4.29Å; K850-F937 HydrophobicContact CB-CE1 3.73Å; K850-F937 HydrophobicContact CB-CE2 4.08Å; K850-F937 HydrophobicContact CB-CZ 3.62Å; K850-F937 HydrophobicContact CD-CE1 4.03Å; K850-F937 HydrophobicContact CD-CZ 4.2Å; K850-F937 HydrophobicContact CG-CD1 4.34Å; K850-F937 HydrophobicContact CG-CE1 3.74Å; K850-F937 HydrophobicContact CG-CZ 4.08Å; K853-F937 VanDerWaalsContact CD-O 3.28Å; K853-F937 WeakPolarHBondContact CD-O 3.16Å; K853-F937 WeakPolarHBondContact CE-O 3.46Å; K853-F937 HydrophobicContact CG-CB 4.45Å; K853-F937 VanDerWaalsContact CG-O 3.32Å; K853-F937 WeakPolarHBondContact CG-O 3.29Å; F933-F937 HydrophobicContact CB-CD2 4.38Å; F933-F937 AromaticContact CD1-CD2 3.64Å; F933-F937 HydrophobicContact CD1-CD2 3.64Å; F933-F937 AromaticContact CD1-CE2 3.57Å; F933-F937 HydrophobicContact CD1-CE2 3.57Å; F933-F937 HydrophobicContact CE1-CD2 4.38Å; F933-F937 AromaticContact CE1-CE2 3.89Å; F933-F937 HydrophobicContact CE1-CE2 3.89Å; F933-F937 HydrophobicContact CG-CD2 4.35Å; F933-F937 CarbonylContact O-C 3.51Å; F933-F937 WeakPolarHBondContact O-CA 3.29Å; F933-F937 PolarHBondContact O-N 2.84Å; F933-F937 VanDerWaalsContact O-N 3.11Å; F937-V939 HydrophobicContact CB-CG2 4.05Å; F937-V939 PolarHBondContact O-N 2.86Å
938	E	90.1	Very high	94.4	Very high	103 Å²	103	19 Å²	19	48%	0.481	9%	0.087	S	C	.	.			trans	57.2	36.4	173.7	-42.7	-169.7	155.6	0	0	112.6	K853 I887 F933 W934 I940	K853-E938 PolarHBondContact NZ-O 3.3Å; I887-E938 HydrophobicContact CG2-CB 4.12Å; I887-E938 HydrophobicContact CG2-CG 3.67Å; F933-E938 PolarHBondContact O-N 3.19Å; W934-E938 VanDerWaalsContact O-CA 3.32Å; W934-E938 WeakPolarHBondContact O-CA 3.28Å; W934-E938 PolarHBondContact O-N 3.46Å; E938-I940 PolarHBondContact O-N 3.06Å
939	V	92.3	Very high	94	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	9%	0.086	C	C	.	.			trans	-82.5	97.7	176.8	-177.4	0	0	0	0	108.3	V849 V859 F933 W934 F937 S942	V849-V939 HydrophobicContact CG1-CG2 4.1Å; V859-V939 HydrophobicContact CB-CG1 4.34Å; V859-V939 HydrophobicContact CB-CG2 4.2Å; V859-V939 HydrophobicContact CG1-CG1 4.27Å; V859-V939 HydrophobicContact CG1-CG2 4.37Å; V859-V939 WeakPolarHBondContact O-CG1 3.38Å; F933-V939 HydrophobicContact CB-CG2 4.38Å; F933-V939 PolarHBondContact O-N 2.78Å; W934-V939 WeakPolarHBondContact CA-O 3.35Å; F937-V939 HydrophobicContact CB-CG2 4.05Å; F937-V939 PolarHBondContact O-N 2.86Å; V939-S942 WeakPolarHBondContact O-CB 3.4Å
940	I	89.9	Confident	93.5	Very high	52 Å²	52	20.3 Å²	20.3	27%	0.267	9%	0.094	S	C	.	.	S	Bend	trans	-62.3	-51.4	-178.3	-63.1	171.2	0	0	0	110	F888 E897 E938 S942	F888-I940 HydrophobicContact CE1-CD1 4.09Å; F888-I940 HydrophobicContact CE1-CG1 3.6Å; F888-I940 HydrophobicContact CZ-CG1 3.99Å; E897-I940 HydrophobicContact CB-CG2 4.32Å; E938-I940 PolarHBondContact O-N 3.06Å; I940-S942 PolarHBondContact O-N 3.16Å
941	N	93.6	Very high	93.3	Very high	13 Å²	13	20 Å²	20	7%	0.07	9%	0.093	C	C	.	.	S	Bend	trans	-82.5	65.9	-179.9	-65.9	-55.5	0	0	0	110.6	I860 Y861 F943	I860-N941 HydrophobicContact CB-CB 4.38Å; I860-N941 HydrophobicContact CG1-CB 4.05Å; I860-N941 HydrophobicContact CG2-CB 4.21Å; Y861-N941 PolarHBondContact N-O 3.28Å; N941-F943 HydrophobicContact CB-CE2 3.78Å; N941-F943 HydrophobicContact CB-CZ 4.36Å
942	S	95.9	Very high	93.2	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	113	-178.5	-168.2	0	0	0	0	110.3	Y861 R930 V939 I940	Y861-S942 CarbonylContact O-C 3.55Å; Y861-S942 WeakPolarHBondContact O-CA 3.33Å; R930-S942 WeakPolarHBondContact CA-OG 3.33Å; R930-S942 WeakPolarHBondContact CD-O 3.44Å; R930-S942 WeakPolarHBondContact CG-O 3.42Å; R930-S942 PolarHBondContact O-OG 2.83Å; V939-S942 WeakPolarHBondContact O-CB 3.4Å; I940-S942 PolarHBondContact O-N 3.16Å
943	F	97.6	Very high	93	Very high	1 Å²	1	21.8 Å²	21.8	0%	0.004	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	154.8	-165.4	-60.7	-67	0	0	0	113.8	Y861 D863 M875 Y876 E897 L900 P901 N941	Y861-F943 PolarHBondContact O-N 3.34Å; D863-F943 PolarHBondContact N-O 3.4Å; M875-F943 HydrophobicContact CB-CD1 4.45Å; M875-F943 HydrophobicContact SD-CB 4.15Å; M875-F943 HydrophobicContact SD-CD1 4.13Å; M875-F943 HydrophobicContact SD-CD2 4.36Å; M875-F943 HydrophobicContact SD-CG 3.95Å; Y876-F943 WeakPolarHBondContact O-CA 3.24Å; E897-F943 WeakPolarHBondContact O-CE1 3.3Å; E897-F943 VanDerWaalsContact O-CZ 3.24Å; E897-F943 WeakPolarHBondContact O-CZ 3.3Å; L900-F943 HydrophobicContact CB-CE2 4.36Å; L900-F943 HydrophobicContact CD2-CD2 4.32Å; L900-F943 HydrophobicContact CD2-CE2 3.91Å; P901-F943 HydrophobicContact CG-CD1 4.31Å; P901-F943 HydrophobicContact CG-CE1 3.75Å; P901-F943 HydrophobicContact CG-CZ 4.15Å; N941-F943 HydrophobicContact CB-CE2 3.78Å; N941-F943 HydrophobicContact CB-CZ 4.36Å
944	T	98	Very high	92.7	Very high	2 Å²	2	24.9 Å²	24.9	1%	0.012	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	115.8	157.6	-51.7	0	0	0	0	106.9	D863 H865 M875 Y876 R930 E946	D863-T944 CarbonylContact O-C 3.55Å; D863-T944 VanDerWaalsContact O-CA 3.27Å; D863-T944 WeakPolarHBondContact O-CA 3.45Å; H865-T944 HydrophobicContact CB-CG2 4.26Å; M875-T944 CarbonylContact C-O 3.53Å; M875-T944 WeakPolarHBondContact CA-O 3.26Å; Y876-T944 PolarHBondContact N-O 3.31Å; Y876-T944 PolarHBondContact O-N 2.77Å; R930-T944 PolarHBondContact NE-OG1 3.21Å; T944-E946 HydrophobicContact CG2-CG 4.43Å
945	L	98	Very high	92.2	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	115.5	174.1	-171.3	173.3	0	0	0	107.7	I778 D863 I864 H865 I873 M875 A947 L974	I778-L945 HydrophobicContact CD1-CD2 4.36Å; D863-L945 PolarHBondContact O-N 2.8Å; I864-L945 HydrophobicContact CG1-CB 4.45Å; I864-L945 HydrophobicContact CG2-CD2 4.29Å; H865-L945 PolarHBondContact N-O 3.18Å; I873-L945 HydrophobicContact CG2-CD2 3.41Å; I873-L945 VanDerWaalsContact CG2-CD2 3.41Å; I873-L945 HydrophobicContact CG2-CG 4.25Å; M875-L945 HydrophobicContact CE-CB 4.27Å; M875-L945 HydrophobicContact CE-CD1 3.86Å; M875-L945 HydrophobicContact CE-CG 4.13Å; M875-L945 HydrophobicContact CG-CB 4.19Å; M875-L945 HydrophobicContact CG-CG 4.31Å; L945-A947 HydrophobicContact CD2-CB 4.12Å; L945-L974 HydrophobicContact CD1-CD2 4.07Å
946	E	97.1	Very high	91.4	Very high	12 Å²	12	32.5 Å²	32.5	6%	0.056	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	104.5	178.8	-67.1	-79.6	-179.3	0	0	108.3	H867 I873 F874 Y876 T944	H867-E946 HydrophobicContact CB-CB 4.24Å; H867-E946 IonicContact CD2-OE2 3.63Å; I873-E946 WeakPolarHBondContact CA-O 3.32Å; F874-E946 HydrophobicContact CD2-CB 3.99Å; F874-E946 HydrophobicContact CD2-CG 4.47Å; F874-E946 HydrophobicContact CE1-CB 4.4Å; F874-E946 HydrophobicContact CE2-CB 3.63Å; F874-E946 HydrophobicContact CE2-CG 3.97Å; F874-E946 HydrophobicContact CZ-CB 3.86Å; F874-E946 HydrophobicContact CZ-CG 4.49Å; F874-E946 PolarHBondContact N-O 2.96Å; F874-E946 PolarHBondContact O-N 3Å; Y876-E946 HydrophobicContact CD2-CG 3.68Å; Y876-E946 HydrophobicContact CE2-CG 3.51Å; Y876-E946 WeakPolarHBondContact CE2-OE1 3.22Å; T944-E946 HydrophobicContact CG2-CG 4.43Å
947	A	95.9	Very high	90.5	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	129.1	174.1	0	0	0	0	0	109.9	N774 I778 H865 G866 H867 I873 L945	N774-A947 PolarHBondContact ND2-O 2.94Å; I778-A947 HydrophobicContact CD1-CB 3.44Å; I778-A947 VanDerWaalsContact CD1-CB 3.44Å; H865-A947 PolarHBondContact O-N 2.9Å; G866-A947 CarbonylContact C-O 3.54Å; G866-A947 WeakPolarHBondContact CA-O 3.41Å; H867-A947 PolarHBondContact N-O 3.47Å; I873-A947 HydrophobicContact CD1-CB 4.15Å; I873-A947 HydrophobicContact CG1-CB 4.2Å; I873-A947 HydrophobicContact CG2-CB 4.21Å; L945-A947 HydrophobicContact CD2-CB 4.12Å
948	T	93.4	Very high	90	Very high	2 Å²	2	39.3 Å²	39.3	1%	0.012	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	151	172.9	-171.1	0	0	0	0	112.2	N774 H867 R870 N872 N950 G951 F962 F967	N774-T948 VanDerWaalsContact ND2-C 3.32Å; N774-T948 PolarHBondContact ND2-O 3.05Å; H867-T948 WeakPolarHBondContact O-CA 3.32Å; R870-T948 WeakPolarHBondContact O-CB 3.48Å; R870-T948 PolarHBondContact O-OG1 3.44Å; N872-T948 VanDerWaalsContact O-CB 3.28Å; N872-T948 WeakPolarHBondContact O-CB 3.34Å; N872-T948 VanDerWaalsContact O-CG2 3.29Å; N872-T948 WeakPolarHBondContact O-CG2 3.43Å; N872-T948 PolarHBondContact O-N 2.89Å; T948-N950 VanDerWaalsContact C-N 3.32Å; T948-N950 PolarHBondContact OG1-N 2.83Å; T948-N950 VanDerWaalsContact OG1-N 3.12Å; T948-G951 WeakPolarHBondContact CG2-O 3.28Å; T948-F962 HydrophobicContact CG2-CD2 3.78Å; T948-F962 HydrophobicContact CG2-CE2 3.53Å; T948-F967 WeakPolarHBondContact O-CE1 3.27Å; T948-F967 WeakPolarHBondContact O-CZ 3.15Å
949	F	89.3	Confident	89.8	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.2	C	C	.	.	S	Bend	trans	-84.3	-9.5	167.2	-65.1	-88.5	0	0	0	112.8	L648 R667 Y712 G771 E772 Y818 G866 H867	L648-F949 HydrophobicContact CD1-CB 3.34Å; L648-F949 HydrophobicContact CD1-CG 4.11Å; R667-F949 PolarHBondContact NH2-O 3.46Å; Y712-F949 HydrophobicContact CD1-CE1 4.41Å; Y712-F949 HydrophobicContact CE1-CD1 4.29Å; Y712-F949 HydrophobicContact CE1-CD2 4.36Å; Y712-F949 HydrophobicContact CE1-CE1 4.05Å; Y712-F949 HydrophobicContact CE1-CE2 4.15Å; Y712-F949 HydrophobicContact CE1-CG 4.41Å; Y712-F949 AromaticContact CE1-CZ 3.95Å; Y712-F949 HydrophobicContact CE1-CZ 3.95Å; G771-F949 WeakPolarHBondContact O-CE1 3.43Å; G771-F949 WeakPolarHBondContact O-CZ 3.44Å; E772-F949 HydrophobicContact CB-CZ 4.25Å; E772-F949 HydrophobicContact CG-CE2 4.45Å; E772-F949 HydrophobicContact CG-CZ 3.9Å; Y818-F949 HydrophobicContact CE2-CZ 4.33Å; G866-F949 VanDerWaalsContact C-CE2 3.47Å; G866-F949 WeakPolarHBondContact O-CE2 3.32Å; H867-F949 WeakPolarHBondContact O-CD2 3.18Å; H867-F949 PolarHBondContact O-N 2.97Å
950	N	85.5	Confident	89.7	Confident	31 Å²	31	41.5 Å²	41.5	17%	0.166	22%	0.218	C	C	.	.	S	Bend	trans	-96.6	-76.4	-170.1	-169.7	31.1	0	0	0	112.2	L648 R667 N871 T948 L959 K961 F962	L648-N950 HydrophobicContact CD2-CB 3.92Å; R667-N950 PolarHBondContact NH2-O 3.02Å; N871-N950 PolarHBondContact OD1-ND2 3.36Å; T948-N950 VanDerWaalsContact C-N 3.32Å; T948-N950 PolarHBondContact OG1-N 2.83Å; T948-N950 VanDerWaalsContact OG1-N 3.12Å; N950-L959 WeakPolarHBondContact ND2-CD1 3.38Å; N950-L959 VanDerWaalsContact ND2-CD2 3.29Å; N950-L959 WeakPolarHBondContact ND2-CD2 3.48Å; N950-K961 WeakPolarHBondContact O-CA 3.44Å; N950-F962 PolarHBondContact O-N 3.07Å
951	G	91	Very high	89.7	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	172.4	177.7	-171.8	0	0	0	0	0	114	N871 N872 T948 I960	N871-G951 WeakPolarHBondContact CA-O 3.43Å; N871-G951 VanDerWaalsContact CB-O 3.27Å; N871-G951 WeakPolarHBondContact CB-O 3.38Å; N872-G951 PolarHBondContact N-O 2.9Å; T948-G951 WeakPolarHBondContact CG2-O 3.28Å; G951-I960 CarbonylContact C-O 3.59Å; G951-I960 WeakPolarHBondContact CA-O 3.5Å
952	S	92.3	Very high	89.6	Confident	4 Å²	4	42.7 Å²	42.7	3%	0.028	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	151.1	174.3	-170.3	0	0	0	0	112.1	N872 S910 L954 L959 I960	N872-S952 WeakPolarHBondContact OD1-CA 3.39Å; N872-S952 PolarHBondContact OD1-OG 3.43Å; S910-S952 WeakPolarHBondContact O-CB 3.27Å; S910-S952 PolarHBondContact O-OG 2.82Å; S952-L954 WeakPolarHBondContact OG-CB 3.45Å; S952-L954 WeakPolarHBondContact OG-CG 3.25Å; S952-L954 PolarHBondContact OG-N 3.26Å; S952-L954 VanDerWaalsContact OG-N 3.07Å; S952-L959 CarbonylContact O-C 3.57Å; S952-L959 WeakPolarHBondContact O-CA 3.2Å; S952-I960 PolarHBondContact N-O 2.96Å; S952-I960 PolarHBondContact O-N 3.33Å
953	T	91.3	Very high	89.4	Confident	39 Å²	39	47.5 Å²	47.5	24%	0.239	24%	0.244	C	C	.	.			trans	-121.1	18.6	163.4	61.8	0	0	0	0	111.8	N871 N872 Q955 L959	N871-T953 HydrophobicContact CB-CG2 4.02Å; N871-T953 VanDerWaalsContact ND2-CG2 3.29Å; N871-T953 WeakPolarHBondContact ND2-CG2 3.32Å; N872-T953 PolarHBondContact OD1-N 3.2Å; T953-Q955 VanDerWaalsContact C-N 3.34Å; T953-L959 HydrophobicContact CG2-CB 4.31Å; T953-L959 HydrophobicContact CG2-CD1 4.12Å
954	L	88.8	Confident	89.2	Confident	65 Å²	65	48.3 Å²	48.3	34%	0.34	25%	0.249	S	C	.	.			trans	-76.4	-20	-177.5	-63.6	172	0	0	0	113.2	N872 T909 S952	N872-L954 HydrophobicContact CB-CD1 4.4Å; T909-L954 WeakPolarHBondContact O-CD1 3.45Å; S952-L954 WeakPolarHBondContact OG-CB 3.45Å; S952-L954 WeakPolarHBondContact OG-CG 3.25Å; S952-L954 PolarHBondContact OG-N 3.26Å; S952-L954 VanDerWaalsContact OG-N 3.07Å
955	Q	81.9	Confident	89	Confident	92 Å²	92	53.5 Å²	53.5	43%	0.43	28%	0.276	S	S	.	.	S	Bend	trans	-103.8	123.6	175.5	-67.6	-178.6	-16	0	0	110	T953 N957 N958 I960	T953-Q955 VanDerWaalsContact C-N 3.34Å; Q955-N957 PolarHBondContact O-N 3.18Å; Q955-N958 PolarHBondContact O-N 3.09Å; Q955-N958 VanDerWaalsContact O-N 3.14Å; Q955-I960 HydrophobicContact CB-CD1 3.86Å; Q955-I960 HydrophobicContact CG-CD1 4.46Å
956	N	74.3	Confident	88.9	Confident	149 Å²	149	55 Å²	55	80%	0.797	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.8	21.8	174.5	-58.4	-14.3	0	0	0	115.7	N958	N956-N958 PolarHBondContact O-N 2.84Å
957	N	72.4	Confident	88.9	Confident	149 Å²	149	54.5 Å²	54.5	80%	0.797	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.4	4.1	-169.7	-64.9	-29.2	0	0	0	115.8	Q955	Q955-N957 PolarHBondContact O-N 3.18Å
958	N	81.7	Confident	88.9	Confident	112 Å²	112	55.8 Å²	55.8	60%	0.599	29%	0.289	S	S	*	.			trans	-86.2	145.5	-179.1	-78	-32.5	0	0	0	110.7	Q955 N956 I960	Q955-N958 PolarHBondContact O-N 3.09Å; Q955-N958 VanDerWaalsContact O-N 3.14Å; N956-N958 PolarHBondContact O-N 2.84Å; N958-I960 PolarHBondContact O-N 3.16Å; N958-I960 VanDerWaalsContact O-N 3.11Å
959	L	85.8	Confident	89.1	Confident	73 Å²	73	59.8 Å²	59.8	38%	0.382	31%	0.306	S	S	.	.			trans	-78	96.5	178.6	177.3	63.5	0	0	0	111.3	N950 S952 T953 K961	N950-L959 WeakPolarHBondContact ND2-CD1 3.38Å; N950-L959 VanDerWaalsContact ND2-CD2 3.29Å; N950-L959 WeakPolarHBondContact ND2-CD2 3.48Å; S952-L959 CarbonylContact O-C 3.57Å; S952-L959 WeakPolarHBondContact O-CA 3.2Å; T953-L959 HydrophobicContact CG2-CB 4.31Å; T953-L959 HydrophobicContact CG2-CD1 4.12Å; L959-K961 HydrophobicContact CD2-CG 4.49Å; L959-K961 HydrophobicContact CG-CG 4.3Å; L959-K961 PolarHBondContact O-N 3.4Å
960	I	89.4	Confident	89.5	Confident	75 Å²	75	59.8 Å²	59.8	39%	0.385	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	107.5	167.7	-58.3	179.6	0	0	0	107.5	G951 S952 Q955 N958	G951-I960 CarbonylContact C-O 3.59Å; G951-I960 WeakPolarHBondContact CA-O 3.5Å; S952-I960 PolarHBondContact N-O 2.96Å; S952-I960 PolarHBondContact O-N 3.33Å; Q955-I960 HydrophobicContact CB-CD1 3.86Å; Q955-I960 HydrophobicContact CG-CD1 4.46Å; N958-I960 PolarHBondContact O-N 3.16Å; N958-I960 VanDerWaalsContact O-N 3.11Å
961	K	89.7	Confident	90	Very high	87 Å²	87	58.3 Å²	58.3	38%	0.378	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	135.4	-178.5	-60.1	177.3	-168.6	169.2	0	109.8	N950 L959	N950-K961 WeakPolarHBondContact O-CA 3.44Å; L959-K961 HydrophobicContact CD2-CG 4.49Å; L959-K961 HydrophobicContact CG-CG 4.3Å; L959-K961 PolarHBondContact O-N 3.4Å
962	F	92	Very high	90.3	Very high	3 Å²	3	61 Å²	61	1%	0.013	31%	0.31	C	S	.	.			trans	-79.6	141.1	178.5	-65	-29.3	0	0	0	112.1	R667 Y714 I873 Y911 T948 N950 D966 F967	R667-F962 PolarHBondContact NH2-O 3.06Å; Y714-F962 PolarHBondContact OH-O 2.89Å; I873-F962 HydrophobicContact CD1-CE2 3.97Å; I873-F962 HydrophobicContact CG1-CE2 3.76Å; I873-F962 HydrophobicContact CG1-CZ 4.31Å; Y911-F962 HydrophobicContact CD1-CD1 4.21Å; Y911-F962 AromaticContact CD1-CE1 3.47Å; Y911-F962 HydrophobicContact CD1-CE1 3.47Å; Y911-F962 VanDerWaalsContact CD1-CE1 3.47Å; Y911-F962 AromaticContact CD1-CZ 3.74Å; Y911-F962 HydrophobicContact CD1-CZ 3.74Å; Y911-F962 HydrophobicContact CE1-CD1 4.19Å; Y911-F962 AromaticContact CE1-CE1 3.83Å; Y911-F962 HydrophobicContact CE1-CE1 3.83Å; T948-F962 HydrophobicContact CG2-CD2 3.78Å; T948-F962 HydrophobicContact CG2-CE2 3.53Å; N950-F962 PolarHBondContact O-N 3.07Å; F962-D966 VanDerWaalsContact CA-OD2 3.28Å; F962-D966 WeakPolarHBondContact CA-OD2 3.5Å; F962-D966 HydrophobicContact CB-CB 4.02Å; F962-D966 HydrophobicContact CD1-CB 3.98Å; F962-D966 HydrophobicContact CG-CB 4.15Å; F962-F967 HydrophobicContact CB-CE1 4.29Å; F962-F967 HydrophobicContact CB-CE2 4.09Å; F962-F967 HydrophobicContact CB-CZ 3.81Å; F962-F967 AromaticContact CD2-CE1 3.79Å; F962-F967 HydrophobicContact CD2-CE1 3.79Å; F962-F967 HydrophobicContact CD2-CZ 4Å; F962-F967 HydrophobicContact CG-CE1 4.46Å; F962-F967 HydrophobicContact CG-CZ 4.41Å
963	E	91.7	Very high	90.6	Very high	102 Å²	102	62 Å²	62	48%	0.477	32%	0.316	S	S	.	.			trans	-105.3	-169.6	169.2	-52.3	-147.2	147.2	0	0	111.1	D965 D966 F967	E963-D965 VanDerWaalsContact C-N 3.34Å; E963-D966 PolarHBondContact N-OD2 3.3Å; E963-F967 WeakPolarHBondContact O-CD2 3.48Å; E963-F967 WeakPolarHBondContact O-CE2 3.31Å
964	V	93.4	Very high	90.8	Very high	18 Å²	18	60.4 Å²	60.4	11%	0.109	31%	0.305	C	S	.	.	H	α-helix	trans	-66.8	-39.5	-178.6	173.3	0	0	0	0	111	Y714 W777 D966 F967 L968	Y714-V964 HydrophobicContact CD1-CG2 3.62Å; Y714-V964 HydrophobicContact CD2-CG2 4.31Å; Y714-V964 HydrophobicContact CE1-CG2 4.2Å; Y714-V964 HydrophobicContact CG-CG2 3.7Å; W777-V964 HydrophobicContact CD2-CG1 3.83Å; W777-V964 HydrophobicContact CE3-CG1 3.56Å; W777-V964 HydrophobicContact CG-CG1 4.48Å; W777-V964 HydrophobicContact CH2-CG1 4.33Å; W777-V964 HydrophobicContact CZ3-CG1 3.83Å; V964-D966 PolarHBondContact O-N 3.05Å; V964-F967 WeakPolarHBondContact O-CB 3.47Å; V964-F967 PolarHBondContact O-N 2.68Å; V964-F967 VanDerWaalsContact O-N 3.14Å; V964-L968 HydrophobicContact CG1-CD1 4.25Å; V964-L968 HydrophobicContact CG1-CG 4.43Å; V964-L968 PolarHBondContact O-N 2.9Å
965	D	94.6	Very high	91.1	Very high	110 Å²	110	57.3 Å²	57.3	59%	0.588	29%	0.289	S	S	*	.	H	α-helix	trans	-73.6	-27.9	-173.5	-54.4	-59.7	0	0	0	112.8	E963 F967 L968 K969	E963-D965 VanDerWaalsContact C-N 3.34Å; D965-F967 VanDerWaalsContact C-N 3.32Å; D965-F967 PolarHBondContact O-N 2.7Å; D965-L968 PolarHBondContact O-N 3.03Å; D965-K969 VanDerWaalsContact O-CB 3.32Å; D965-K969 WeakPolarHBondContact O-CB 3.4Å; D965-K969 PolarHBondContact O-N 3.26Å
966	D	95.5	Very high	91.8	Very high	33 Å²	33	54.1 Å²	54.1	18%	0.176	28%	0.275	C	S	.	.	H	α-helix	trans	-60.2	-41.7	167.9	-68.8	-55.6	0	0	0	112	Y911 F962 E963 V964 K969 M970	Y911-D966 HydrophobicContact CE1-CB 3.68Å; Y911-D966 WeakPolarHBondContact CE1-OD1 3.38Å; Y911-D966 PolarHBondContact OH-OD1 2.65Å; F962-D966 VanDerWaalsContact CA-OD2 3.28Å; F962-D966 WeakPolarHBondContact CA-OD2 3.5Å; F962-D966 HydrophobicContact CB-CB 4.02Å; F962-D966 HydrophobicContact CD1-CB 3.98Å; F962-D966 HydrophobicContact CG-CB 4.15Å; E963-D966 PolarHBondContact N-OD2 3.3Å; V964-D966 PolarHBondContact O-N 3.05Å; D966-K969 PolarHBondContact O-N 3.39Å; D966-M970 WeakPolarHBondContact O-CB 3.24Å; D966-M970 PolarHBondContact O-N 3.48Å
967	F	96.5	Very high	92.9	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-69.8	-38.7	176.2	-64.3	-57.7	0	0	0	111.3	Y714 N774 W777 I778 T948 F962 E963 V964 D965 G971	Y714-F967 HydrophobicContact CD2-CE2 4.17Å; Y714-F967 HydrophobicContact CE2-CE2 4.32Å; N774-F967 HydrophobicContact CB-CD1 3.9Å; N774-F967 HydrophobicContact CB-CD2 4.26Å; N774-F967 HydrophobicContact CB-CE1 3.62Å; N774-F967 HydrophobicContact CB-CE2 4.01Å; N774-F967 HydrophobicContact CB-CG 4.22Å; N774-F967 HydrophobicContact CB-CZ 3.69Å; W777-F967 HydrophobicContact CB-CB 3.47Å; W777-F967 VanDerWaalsContact CB-CB 3.47Å; W777-F967 HydrophobicContact CB-CD2 4.42Å; W777-F967 HydrophobicContact CB-CG 4.21Å; I778-F967 VanDerWaalsContact CA-O 3.3Å; I778-F967 WeakPolarHBondContact CA-O 3.48Å; I778-F967 HydrophobicContact CD1-CD1 4.17Å; I778-F967 HydrophobicContact CG1-CB 4.03Å; I778-F967 HydrophobicContact CG1-CD1 4.09Å; I778-F967 WeakPolarHBondContact CG1-O 3.02Å; T948-F967 WeakPolarHBondContact O-CE1 3.27Å; T948-F967 WeakPolarHBondContact O-CZ 3.15Å; F962-F967 HydrophobicContact CB-CE1 4.29Å; F962-F967 HydrophobicContact CB-CE2 4.09Å; F962-F967 HydrophobicContact CB-CZ 3.81Å; F962-F967 AromaticContact CD2-CE1 3.79Å; F962-F967 HydrophobicContact CD2-CE1 3.79Å; F962-F967 HydrophobicContact CD2-CZ 4Å; F962-F967 HydrophobicContact CG-CE1 4.46Å; F962-F967 HydrophobicContact CG-CZ 4.41Å; E963-F967 WeakPolarHBondContact O-CD2 3.48Å; E963-F967 WeakPolarHBondContact O-CE2 3.31Å; V964-F967 WeakPolarHBondContact O-CB 3.47Å; V964-F967 PolarHBondContact O-N 2.68Å; V964-F967 VanDerWaalsContact O-N 3.14Å; D965-F967 VanDerWaalsContact C-N 3.32Å; D965-F967 PolarHBondContact O-N 2.7Å; F967-G971 PolarHBondContact O-N 3.22Å; F967-G971 VanDerWaalsContact O-N 3.15Å
968	L	97	Very high	94	Very high	28 Å²	28	40.1 Å²	40.1	15%	0.147	20%	0.2	C	C	.	.	H	α-helix	trans	-61.5	-46.9	172.8	-67.6	174.4	0	0	0	111.3	W777 L780 G781 V964 D965 M970 G971 E972	W777-L968 HydrophobicContact CE3-CD2 4.39Å; L780-L968 HydrophobicContact CB-CD2 4Å; L780-L968 HydrophobicContact CD2-CD2 3.97Å; L780-L968 HydrophobicContact CG-CD2 3.85Å; G781-L968 WeakPolarHBondContact CA-O 3.49Å; V964-L968 HydrophobicContact CG1-CD1 4.25Å; V964-L968 HydrophobicContact CG1-CG 4.43Å; V964-L968 PolarHBondContact O-N 2.9Å; D965-L968 PolarHBondContact O-N 3.03Å; L968-M970 PolarHBondContact O-N 2.62Å; L968-G971 WeakPolarHBondContact O-CA 3.26Å; L968-G971 PolarHBondContact O-N 3.12Å; L968-E972 PolarHBondContact O-N 2.85Å; L968-E972 VanDerWaalsContact O-N 3.1Å
969	K	97.3	Very high	94.6	Very high	85 Å²	85	37.6 Å²	37.6	37%	0.37	18%	0.183	S	C	.	.	H	α-helix	trans	-65.6	-37.7	179.6	-169.2	54.1	163.2	-176.2	0	112.3	Y911 D965 D966 G971 E972 L973	Y911-K969 HydrophobicContact CE2-CG 4.38Å; D965-K969 VanDerWaalsContact O-CB 3.32Å; D965-K969 WeakPolarHBondContact O-CB 3.4Å; D965-K969 PolarHBondContact O-N 3.26Å; D966-K969 PolarHBondContact O-N 3.39Å; K969-G971 PolarHBondContact O-N 3.12Å; K969-E972 HydrophobicContact CD-CB 4.37Å; K969-E972 WeakPolarHBondContact CD-OE2 3.39Å; K969-E972 IonicContact NZ-OE1 3.86Å; K969-E972 PolarHBondContact NZ-OE1 3.2Å; K969-E972 IonicContact NZ-OE2 2.88Å; K969-E972 PolarHBondContact NZ-OE2 3.14Å; K969-E972 WeakPolarHBondContact O-CB 3.17Å; K969-E972 PolarHBondContact O-N 2.79Å; K969-L973 HydrophobicContact CG-CD1 4.12Å; K969-L973 HydrophobicContact CG-CG 4.47Å; K969-L973 WeakPolarHBondContact O-CB 3.43Å; K969-L973 VanDerWaalsContact O-CG 3.29Å; K969-L973 WeakPolarHBondContact O-CG 3.27Å; K969-L973 PolarHBondContact O-N 3.46Å
970	M	97.3	Very high	95.1	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-59.9	-34.2	170	-175.9	70	-150	0	0	112.2	I778 I873 L904 A908 Y911 F912 D966 L968 L974	I778-M970 HydrophobicContact CD1-CG 4.17Å; I778-M970 HydrophobicContact CG1-CB 4.34Å; I778-M970 HydrophobicContact CG1-CG 4.35Å; I778-M970 HydrophobicContact CG2-CG 4.5Å; I873-M970 HydrophobicContact CD1-CB 4.16Å; I873-M970 HydrophobicContact CD1-CG 3.58Å; I873-M970 HydrophobicContact CD1-SD 3.9Å; I873-M970 HydrophobicContact CG2-CE 4.19Å; I873-M970 HydrophobicContact CG2-SD 4.43Å; L904-M970 HydrophobicContact CD1-CE 3.68Å; L904-M970 HydrophobicContact CD2-CE 3.76Å; L904-M970 HydrophobicContact CG-CE 3.86Å; A908-M970 HydrophobicContact CB-CE 4.42Å; A908-M970 HydrophobicContact CB-SD 4.02Å; Y911-M970 HydrophobicContact CG-SD 4.42Å; F912-M970 HydrophobicContact CB-CE 4.33Å; F912-M970 HydrophobicContact CD2-CE 3.79Å; F912-M970 HydrophobicContact CG-CE 4.44Å; D966-M970 WeakPolarHBondContact O-CB 3.24Å; D966-M970 PolarHBondContact O-N 3.48Å; L968-M970 PolarHBondContact O-N 2.62Å; M970-L974 WeakPolarHBondContact O-CB 3.36Å; M970-L974 PolarHBondContact O-N 3.16Å
971	G	97.2	Very high	95.3	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-65.6	-42.8	173.3	0	0	0	0	0	113.3	I778 L782 F967 L968 K969 G975	I778-G971 WeakPolarHBondContact O-CA 3.49Å; L782-G971 WeakPolarHBondContact CA-O 3.4Å; L782-G971 WeakPolarHBondContact CB-O 3.3Å; L782-G971 WeakPolarHBondContact CD1-O 3.35Å; F967-G971 PolarHBondContact O-N 3.22Å; F967-G971 VanDerWaalsContact O-N 3.15Å; L968-G971 WeakPolarHBondContact O-CA 3.26Å; L968-G971 PolarHBondContact O-N 3.12Å; K969-G971 PolarHBondContact O-N 3.12Å; G971-G975 PolarHBondContact O-N 3.3Å
972	E	96.6	Very high	95.5	Very high	56 Å²	56	32.1 Å²	32.1	26%	0.262	15%	0.151	S	C	.	.	H	α-helix	trans	-62.7	-49.4	173.5	-169.2	-160.3	133.4	0	0	111.5	F785 L968 K969 L974 G975 D976	F785-E972 HydrophobicContact CB-CB 4.36Å; F785-E972 HydrophobicContact CB-CG 4.11Å; F785-E972 HydrophobicContact CD2-CG 3.68Å; F785-E972 HydrophobicContact CG-CG 4.22Å; L968-E972 PolarHBondContact O-N 2.85Å; L968-E972 VanDerWaalsContact O-N 3.1Å; K969-E972 HydrophobicContact CD-CB 4.37Å; K969-E972 WeakPolarHBondContact CD-OE2 3.39Å; K969-E972 IonicContact NZ-OE1 3.86Å; K969-E972 PolarHBondContact NZ-OE1 3.2Å; K969-E972 IonicContact NZ-OE2 2.88Å; K969-E972 PolarHBondContact NZ-OE2 3.14Å; K969-E972 WeakPolarHBondContact O-CB 3.17Å; K969-E972 PolarHBondContact O-N 2.79Å; E972-L974 VanDerWaalsContact C-N 3.28Å; E972-L974 PolarHBondContact O-N 2.87Å; E972-G975 WeakPolarHBondContact O-CA 3.49Å; E972-G975 PolarHBondContact O-N 2.92Å; E972-D976 PolarHBondContact O-N 3.32Å
973	L	97.5	Very high	95.6	Very high	27 Å²	27	35 Å²	35	14%	0.141	16%	0.164	C	C	.	.	H	α-helix	trans	-64.3	-29.3	179.5	-68.7	168.8	0	0	0	113	A908 Y911 K969 G975 S977	A908-L973 HydrophobicContact CB-CB 4.3Å; A908-L973 HydrophobicContact CB-CD1 3.86Å; Y911-L973 HydrophobicContact CD2-CD1 3.86Å; Y911-L973 HydrophobicContact CE2-CD1 4.04Å; K969-L973 HydrophobicContact CG-CD1 4.12Å; K969-L973 HydrophobicContact CG-CG 4.47Å; K969-L973 WeakPolarHBondContact O-CB 3.43Å; K969-L973 VanDerWaalsContact O-CG 3.29Å; K969-L973 WeakPolarHBondContact O-CG 3.27Å; K969-L973 PolarHBondContact O-N 3.46Å; L973-G975 VanDerWaalsContact C-N 3.32Å; L973-S977 VanDerWaalsContact O-CB 3.23Å; L973-S977 WeakPolarHBondContact O-CB 3.42Å; L973-S977 PolarHBondContact O-N 2.95Å; L973-S977 PolarHBondContact O-OG 3.48Å
974	L	97.2	Very high	95.7	Very high	4 Å²	4	30.8 Å²	30.8	2%	0.021	15%	0.145	C	C	.	.	H	α-helix	trans	-66.6	-34.7	169.6	179	62	0	0	0	111.7	L782 I864 M875 L904 L945 M970 E972 L978	L782-L974 HydrophobicContact CD2-CD2 4.4Å; I864-L974 HydrophobicContact CD1-CD2 4.46Å; M875-L974 HydrophobicContact CE-CD1 4.08Å; L904-L974 HydrophobicContact CD1-CD1 4.48Å; L904-L974 HydrophobicContact CD2-CD1 4.04Å; L945-L974 HydrophobicContact CD1-CD2 4.07Å; M970-L974 WeakPolarHBondContact O-CB 3.36Å; M970-L974 PolarHBondContact O-N 3.16Å; E972-L974 VanDerWaalsContact C-N 3.28Å; E972-L974 PolarHBondContact O-N 2.87Å; L974-L978 WeakPolarHBondContact O-CG 3.44Å; L974-L978 PolarHBondContact O-N 3.21Å
975	G	95.2	Very high	95.6	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-67.5	-49.7	173.6	0	0	0	0	0	112.7	F785 L796 G971 E972 L973 S977 L978 Y979	F785-G975 VanDerWaalsContact CE1-CA 3.48Å; L796-G975 WeakPolarHBondContact CD2-O 3.43Å; G971-G975 PolarHBondContact O-N 3.3Å; E972-G975 WeakPolarHBondContact O-CA 3.49Å; E972-G975 PolarHBondContact O-N 2.92Å; L973-G975 VanDerWaalsContact C-N 3.32Å; G975-S977 PolarHBondContact O-N 2.79Å; G975-L978 WeakPolarHBondContact O-CB 3.09Å; G975-L978 PolarHBondContact O-N 2.75Å; G975-Y979 PolarHBondContact O-N 3.18Å
976	D	95.1	Very high	95.3	Very high	25 Å²	25	30.2 Å²	30.2	13%	0.134	15%	0.147	C	C	.	.	H	α-helix	trans	-60.3	-42.6	174.6	-179.8	74.4	0	0	0	112.2	E972 L978 Y979 R980	E972-D976 PolarHBondContact O-N 3.32Å; D976-L978 VanDerWaalsContact C-N 3.26Å; D976-L978 PolarHBondContact O-N 3.48Å; D976-Y979 WeakPolarHBondContact O-CA 3.21Å; D976-Y979 WeakPolarHBondContact O-CB 3.16Å; D976-Y979 PolarHBondContact O-N 3.26Å; D976-R980 PolarHBondContact O-N 2.9Å; D976-R980 IonicContact OD1-NE 2.67Å; D976-R980 IonicContact OD1-NH2 3.5Å; D976-R980 IonicContact OD2-CZ 2.66Å; D976-R980 IonicContact OD2-NE 2.71Å; D976-R980 PolarHBondContact OD2-NE 2.84Å; D976-R980 IonicContact OD2-NH2 3.9Å; D976-R980 PolarHBondContact OD2-NH2 3.48Å
977	S	97	Very high	95.1	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-62.9	-30.3	177.1	-62.5	0	0	0	0	113.2	L904 L973 G975 F981	L904-S977 VanDerWaalsContact CD1-OG 3.23Å; L904-S977 WeakPolarHBondContact CD1-OG 3.33Å; L973-S977 VanDerWaalsContact O-CB 3.23Å; L973-S977 WeakPolarHBondContact O-CB 3.42Å; L973-S977 PolarHBondContact O-N 2.95Å; L973-S977 PolarHBondContact O-OG 3.48Å; G975-S977 PolarHBondContact O-N 2.79Å; S977-F981 WeakPolarHBondContact O-CB 3.49Å; S977-F981 PolarHBondContact O-N 3.43Å
978	L	95.9	Very high	94.7	Very high	4 Å²	4	36.5 Å²	36.5	2%	0.021	19%	0.186	C	C	.	.	H	α-helix	trans	-70.5	-31.2	171.8	-75.5	168.9	0	0	0	112.4	V762 L796 F802 I860 L900 L974 G975 D976 H982	V762-L978 HydrophobicContact CG1-CD1 4.21Å; V762-L978 HydrophobicContact CG2-CD1 4.28Å; V762-L978 HydrophobicContact CG2-CD2 4.35Å; L796-L978 HydrophobicContact CD1-CB 4.09Å; L796-L978 HydrophobicContact CD2-CB 4.45Å; F802-L978 HydrophobicContact CE1-CD1 4.08Å; I860-L978 HydrophobicContact CD1-CD2 3.89Å; I860-L978 HydrophobicContact CG2-CD2 4.36Å; L900-L978 HydrophobicContact CD1-CD2 4.13Å; L900-L978 HydrophobicContact CD2-CD2 3.85Å; L974-L978 WeakPolarHBondContact O-CG 3.44Å; L974-L978 PolarHBondContact O-N 3.21Å; G975-L978 WeakPolarHBondContact O-CB 3.09Å; G975-L978 PolarHBondContact O-N 2.75Å; D976-L978 VanDerWaalsContact C-N 3.26Å; D976-L978 PolarHBondContact O-N 3.48Å; L978-H982 PolarHBondContact O-N 2.85Å; L978-H982 VanDerWaalsContact O-N 3.15Å
979	Y	94.9	Very high	94.3	Very high	60 Å²	60	41.4 Å²	41.4	24%	0.235	21%	0.212	C	C	.	.	H	α-helix	trans	-70.2	-49	172.4	174	-97.1	0	0	0	111.3	V792 A795 L796 G975 D976 F981 H982 E983	V792-Y979 HydrophobicContact CG1-CD1 3.76Å; V792-Y979 HydrophobicContact CG1-CD2 4.32Å; V792-Y979 HydrophobicContact CG1-CG 3.6Å; A795-Y979 HydrophobicContact CB-CD2 4.17Å; A795-Y979 HydrophobicContact CB-CE2 3.68Å; L796-Y979 HydrophobicContact CB-CD2 4.45Å; G975-Y979 PolarHBondContact O-N 3.18Å; D976-Y979 WeakPolarHBondContact O-CA 3.21Å; D976-Y979 WeakPolarHBondContact O-CB 3.16Å; D976-Y979 PolarHBondContact O-N 3.26Å; Y979-F981 VanDerWaalsContact C-N 3.25Å; Y979-F981 PolarHBondContact O-N 3.36Å; Y979-H982 WeakPolarHBondContact O-CA 3.31Å; Y979-H982 WeakPolarHBondContact O-CB 3.27Å; Y979-H982 PolarHBondContact O-N 3.41Å; Y979-E983 HydrophobicContact CD1-CG 4.42Å; Y979-E983 HydrophobicContact CE1-CG 3.88Å; Y979-E983 PolarHBondContact O-N 2.8Å; Y979-E983 VanDerWaalsContact O-N 3.08Å; Y979-E983 PolarHBondContact OH-OE1 3.45Å
980	R	95.3	Very high	94	Very high	94 Å²	94	41.2 Å²	41.2	36%	0.355	21%	0.211	S	C	.	.	H	α-helix	trans	-61.2	-35.2	175.5	-64.5	-178.1	-165.8	-109.4	5.2	112.4	I903 Q907 D976 H982 E983 V984	I903-R980 HydrophobicContact CG2-CB 3.84Å; Q907-R980 VanDerWaalsContact CD-CD 3.43Å; Q907-R980 VanDerWaalsContact CD-CZ 3.49Å; D976-R980 PolarHBondContact O-N 2.9Å; D976-R980 IonicContact OD1-NE 2.67Å; D976-R980 IonicContact OD1-NH2 3.5Å; D976-R980 IonicContact OD2-CZ 2.66Å; D976-R980 IonicContact OD2-NE 2.71Å; D976-R980 PolarHBondContact OD2-NE 2.84Å; D976-R980 IonicContact OD2-NH2 3.9Å; D976-R980 PolarHBondContact OD2-NH2 3.48Å; R980-H982 VanDerWaalsContact C-N 3.28Å; R980-H982 PolarHBondContact O-N 3.27Å; R980-E983 PolarHBondContact O-N 2.97Å; R980-V984 WeakPolarHBondContact O-CG2 3.28Å; R980-V984 PolarHBondContact O-N 3Å
981	F	95.5	Very high	93.6	Very high	1 Å²	1	42.8 Å²	42.8	0%	0.004	22%	0.219	C	C	.	.	H	α-helix	trans	-63.3	-33.3	171.5	-175.6	-133.1	0	0	0	112.5	I860 I899 L900 I903 S977 Y979 L985	I860-F981 HydrophobicContact CD1-CD1 3.91Å; I860-F981 HydrophobicContact CD1-CE1 3.73Å; I860-F981 HydrophobicContact CG1-CE1 4.47Å; I899-F981 HydrophobicContact CB-CD2 4.37Å; I899-F981 HydrophobicContact CB-CE2 3.88Å; I899-F981 HydrophobicContact CG2-CD2 3.69Å; I899-F981 HydrophobicContact CG2-CE2 3.66Å; L900-F981 HydrophobicContact CB-CD1 4.18Å; L900-F981 HydrophobicContact CB-CD2 4.24Å; L900-F981 HydrophobicContact CB-CE1 4.16Å; L900-F981 HydrophobicContact CB-CE2 4.23Å; L900-F981 HydrophobicContact CB-CG 4.2Å; L900-F981 HydrophobicContact CB-CZ 4.16Å; L900-F981 HydrophobicContact CD1-CB 3.96Å; L900-F981 HydrophobicContact CD1-CD1 4.17Å; L900-F981 HydrophobicContact CD1-CG 4.11Å; L900-F981 HydrophobicContact CD2-CD1 4.4Å; L900-F981 HydrophobicContact CD2-CE1 4.49Å; L900-F981 HydrophobicContact CG-CD1 4.48Å; I903-F981 HydrophobicContact CD1-CB 4.03Å; I903-F981 HydrophobicContact CD1-CD2 4.06Å; S977-F981 WeakPolarHBondContact O-CB 3.49Å; S977-F981 PolarHBondContact O-N 3.43Å; Y979-F981 VanDerWaalsContact C-N 3.25Å; Y979-F981 PolarHBondContact O-N 3.36Å; F981-L985 HydrophobicContact CD1-CD1 4.19Å; F981-L985 HydrophobicContact CD2-CD1 4.16Å; F981-L985 HydrophobicContact CD2-CG 4.01Å; F981-L985 HydrophobicContact CE1-CD1 3.78Å; F981-L985 HydrophobicContact CE2-CD1 3.73Å; F981-L985 HydrophobicContact CE2-CD2 4.03Å; F981-L985 HydrophobicContact CE2-CG 3.76Å; F981-L985 HydrophobicContact CG-CD1 4.38Å; F981-L985 HydrophobicContact CZ-CD1 3.55Å; F981-L985 HydrophobicContact CZ-CD2 4.44Å; F981-L985 HydrophobicContact CZ-CG 4.12Å; F981-L985 WeakPolarHBondContact O-CB 3.46Å; F981-L985 VanDerWaalsContact O-CG 3.29Å; F981-L985 WeakPolarHBondContact O-CG 3.25Å; F981-L985 PolarHBondContact O-N 3.4Å
982	H	93.3	Very high	92.9	Very high	25 Å²	25	45.9 Å²	45.9	12%	0.116	23%	0.233	C	C	.	.	H	α-helix	trans	-65.1	-44.6	171.1	-169.3	67.8	0	0	0	112.3	H799 Y800 L978 Y979 R980 L985 S986	H799-H982 AromaticContact CD2-NE2 3.72Å; H799-H982 AromaticContact CG-CE1 3.83Å; H799-H982 AromaticContact CG-NE2 3.37Å; H799-H982 AromaticContact ND1-NE2 3.7Å; Y800-H982 HydrophobicContact CE2-CB 3.76Å; Y800-H982 AromaticContact CE2-CG 3.64Å; Y800-H982 AromaticContact CE2-ND1 3.37Å; Y800-H982 WeakPolarHBondContact CE2-ND1 3.4Å; Y800-H982 AromaticContact CZ-ND1 3.66Å; Y800-H982 WeakPolarHBondContact OH-CB 3.32Å; Y800-H982 PolarHBondContact OH-ND1 2.88Å; Y800-H982 VanDerWaalsContact OH-ND1 3.16Å; L978-H982 PolarHBondContact O-N 2.85Å; L978-H982 VanDerWaalsContact O-N 3.15Å; Y979-H982 WeakPolarHBondContact O-CA 3.31Å; Y979-H982 WeakPolarHBondContact O-CB 3.27Å; Y979-H982 PolarHBondContact O-N 3.41Å; R980-H982 VanDerWaalsContact C-N 3.28Å; R980-H982 PolarHBondContact O-N 3.27Å; H982-L985 PolarHBondContact O-N 3.23Å; H982-S986 VanDerWaalsContact O-CB 3.24Å; H982-S986 WeakPolarHBondContact O-CB 3.35Å; H982-S986 PolarHBondContact O-N 2.81Å; H982-S986 PolarHBondContact O-OG 3.34Å
983	E	93.9	Very high	92.6	Very high	62 Å²	62	48.5 Å²	48.5	29%	0.29	25%	0.245	S	C	.	.	H	α-helix	trans	-60.9	-48.1	177.1	-59.8	-169.3	117.1	0	0	111.8	Y979 R980 L985 S986 N987 K990	Y979-E983 HydrophobicContact CD1-CG 4.42Å; Y979-E983 HydrophobicContact CE1-CG 3.88Å; Y979-E983 PolarHBondContact O-N 2.8Å; Y979-E983 VanDerWaalsContact O-N 3.08Å; Y979-E983 PolarHBondContact OH-OE1 3.45Å; R980-E983 PolarHBondContact O-N 2.97Å; E983-L985 PolarHBondContact O-N 2.81Å; E983-S986 PolarHBondContact O-N 3.17Å; E983-S986 VanDerWaalsContact O-N 3.17Å; E983-N987 PolarHBondContact O-N 3Å; E983-K990 IonicContact OE2-NZ 2.7Å
984	V	93.3	Very high	92.2	Very high	14 Å²	14	47.9 Å²	47.9	9%	0.085	24%	0.243	C	C	.	.	H	α-helix	trans	-63	-41.6	178.3	171.3	0	0	0	0	111.3	I899 I903 R980 S986 L991 T994	I899-V984 HydrophobicContact CG2-CG1 4.1Å; I903-V984 HydrophobicContact CD1-CB 4.2Å; I903-V984 HydrophobicContact CD1-CG2 3.95Å; R980-V984 WeakPolarHBondContact O-CG2 3.28Å; R980-V984 PolarHBondContact O-N 3Å; V984-S986 VanDerWaalsContact C-N 3.27Å; V984-S986 PolarHBondContact O-N 3.14Å; V984-L991 HydrophobicContact CG1-CD1 4.22Å; V984-L991 WeakPolarHBondContact O-CB 3.32Å; V984-T994 HydrophobicContact CG1-CG2 4.11Å
985	L	90.7	Very high	91.8	Very high	46 Å²	46	48.5 Å²	48.5	24%	0.241	25%	0.246	C	C	.	.	H	α-helix	trans	-72.8	-16.2	176.4	-73	-176.3	0	0	0	114.3	F981 H982 E983 L991	F981-L985 HydrophobicContact CD1-CD1 4.19Å; F981-L985 HydrophobicContact CD2-CD1 4.16Å; F981-L985 HydrophobicContact CD2-CG 4.01Å; F981-L985 HydrophobicContact CE1-CD1 3.78Å; F981-L985 HydrophobicContact CE2-CD1 3.73Å; F981-L985 HydrophobicContact CE2-CD2 4.03Å; F981-L985 HydrophobicContact CE2-CG 3.76Å; F981-L985 HydrophobicContact CG-CD1 4.38Å; F981-L985 HydrophobicContact CZ-CD1 3.55Å; F981-L985 HydrophobicContact CZ-CD2 4.44Å; F981-L985 HydrophobicContact CZ-CG 4.12Å; F981-L985 WeakPolarHBondContact O-CB 3.46Å; F981-L985 VanDerWaalsContact O-CG 3.29Å; F981-L985 WeakPolarHBondContact O-CG 3.25Å; F981-L985 PolarHBondContact O-N 3.4Å; H982-L985 PolarHBondContact O-N 3.23Å; E983-L985 PolarHBondContact O-N 2.81Å; L985-L991 HydrophobicContact CD2-CD1 4.46Å
986	S	89.6	Confident	91.2	Very high	70 Å²	70	49.6 Å²	49.6	49%	0.49	25%	0.251	S	S	.	.	H	α-helix	trans	-99.3	-15.9	-178	-56	0	0	0	0	113.4	H982 E983 V984	H982-S986 VanDerWaalsContact O-CB 3.24Å; H982-S986 WeakPolarHBondContact O-CB 3.35Å; H982-S986 PolarHBondContact O-N 2.81Å; H982-S986 PolarHBondContact O-OG 3.34Å; E983-S986 PolarHBondContact O-N 3.17Å; E983-S986 VanDerWaalsContact O-N 3.17Å; V984-S986 VanDerWaalsContact C-N 3.27Å; V984-S986 PolarHBondContact O-N 3.14Å
987	N	91.4	Very high	90.8	Very high	63 Å²	63	50.6 Å²	50.6	34%	0.337	26%	0.257	S	S	.	.			trans	-115.9	111.8	177.9	179.9	-42.3	0	0	0	110.6	E983 L989 K990 L991	E983-N987 PolarHBondContact O-N 3Å; N987-L989 VanDerWaalsContact C-N 3.29Å; N987-L989 PolarHBondContact O-N 3.02Å; N987-L989 WeakPolarHBondContact OD1-CB 3.29Å; N987-L989 PolarHBondContact OD1-N 2.92Å; N987-K990 HydrophobicContact CB-CB 4.06Å; N987-K990 HydrophobicContact CB-CD 4.24Å; N987-K990 HydrophobicContact CB-CG 4.15Å; N987-K990 PolarHBondContact O-N 3.31Å; N987-K990 PolarHBondContact OD1-N 2.71Å; N987-L991 PolarHBondContact O-N 3.38Å
988	P	88.5	Confident	90.5	Very high	102 Å²	102	50.6 Å²	50.6	66%	0.662	26%	0.257	S	S	*	.	H	α-helix	trans	-59.4	-31.3	-178.3	-27.1	35.9	0	0	0	115.4	K992	P988-K992 WeakPolarHBondContact O-CB 3.45Å; P988-K992 PolarHBondContact O-N 3.03Å
989	L	87.7	Confident	90	Very high	132 Å²	132	50.5 Å²	50.5	69%	0.691	26%	0.256	S	S	*	.	H	α-helix	trans	-72.1	-50.3	178.3	-60.8	176.5	0	0	0	110.5	N987 L991 K992 E993	N987-L989 VanDerWaalsContact C-N 3.29Å; N987-L989 PolarHBondContact O-N 3.02Å; N987-L989 WeakPolarHBondContact OD1-CB 3.29Å; N987-L989 PolarHBondContact OD1-N 2.92Å; L989-L991 PolarHBondContact O-N 3.3Å; L989-K992 PolarHBondContact O-N 3.37Å; L989-K992 VanDerWaalsContact O-N 3.1Å; L989-E993 WeakPolarHBondContact O-CB 3.31Å; L989-E993 PolarHBondContact O-N 3.36Å
990	K	90.3	Very high	89.3	Confident	81 Å²	81	51.4 Å²	51.4	35%	0.352	26%	0.259	S	S	.	.	H	α-helix	trans	-56.2	-36	172.7	-71.4	-171	173.5	-173.8	0	111.5	E983 N987 T994	E983-K990 IonicContact OE2-NZ 2.7Å; N987-K990 HydrophobicContact CB-CB 4.06Å; N987-K990 HydrophobicContact CB-CD 4.24Å; N987-K990 HydrophobicContact CB-CG 4.15Å; N987-K990 PolarHBondContact O-N 3.31Å; N987-K990 PolarHBondContact OD1-N 2.71Å; K990-T994 WeakPolarHBondContact O-CB 3.4Å; K990-T994 PolarHBondContact O-N 2.98Å; K990-T994 PolarHBondContact O-OG1 3.27Å
991	L	89.4	Confident	88.8	Confident	33 Å²	33	49.7 Å²	49.7	17%	0.173	26%	0.255	C	S	.	.	H	α-helix	trans	-65.3	-48.3	174.9	-178.4	59.7	0	0	0	112.5	I899 V984 L985 N987 L989 T994 L995	I899-L991 HydrophobicContact CD1-CD1 3.54Å; V984-L991 HydrophobicContact CG1-CD1 4.22Å; V984-L991 WeakPolarHBondContact O-CB 3.32Å; L985-L991 HydrophobicContact CD2-CD1 4.46Å; N987-L991 PolarHBondContact O-N 3.38Å; L989-L991 PolarHBondContact O-N 3.3Å; L991-T994 PolarHBondContact O-N 2.97Å; L991-L995 HydrophobicContact CD1-CD1 4.1Å; L991-L995 HydrophobicContact CD1-CG 4.28Å; L991-L995 HydrophobicContact CG-CD1 4.07Å; L991-L995 WeakPolarHBondContact O-CB 3.33Å; L991-L995 VanDerWaalsContact O-CG 3.29Å; L991-L995 WeakPolarHBondContact O-CG 3Å; L991-L995 PolarHBondContact O-N 2.93Å
992	K	83.8	Confident	88.2	Confident	65 Å²	65	50 Å²	50	28%	0.283	26%	0.257	S	S	.	.	H	α-helix	trans	-59.8	-49.1	178.6	-172	172.4	177.9	178.4	0	110.6	P988 L989 L995 I996 D1100 M1103	P988-K992 WeakPolarHBondContact O-CB 3.45Å; P988-K992 PolarHBondContact O-N 3.03Å; L989-K992 PolarHBondContact O-N 3.37Å; L989-K992 VanDerWaalsContact O-N 3.1Å; K992-L995 PolarHBondContact O-N 2.86Å; K992-I996 HydrophobicContact CG-CD1 4.35Å; K992-I996 WeakPolarHBondContact O-CD1 3.28Å; K992-I996 VanDerWaalsContact O-CG1 3.29Å; K992-I996 WeakPolarHBondContact O-CG1 3.49Å; K992-I996 PolarHBondContact O-N 2.72Å; K992-I996 VanDerWaalsContact O-N 3.11Å; K992-D1100 IonicContact NZ-OD1 2.74Å; K992-D1100 PolarHBondContact NZ-OD1 3.46Å; K992-M1103 WeakPolarHBondContact CE-SD 3.04Å
993	E	88.4	Confident	87.5	Confident	110 Å²	110	49 Å²	49	51%	0.514	25%	0.253	S	S	.	.	H	α-helix	trans	-59.2	-50	175	-169.1	-151.1	149.5	0	0	112.4	L989 L995 I996 N997	L989-E993 WeakPolarHBondContact O-CB 3.31Å; L989-E993 PolarHBondContact O-N 3.36Å; E993-L995 VanDerWaalsContact C-N 3.32Å; E993-L995 PolarHBondContact O-N 2.81Å; E993-I996 PolarHBondContact O-N 2.81Å; E993-I996 VanDerWaalsContact O-N 3.16Å; E993-N997 PolarHBondContact O-N 2.66Å
994	T	90.2	Very high	86.7	Confident	15 Å²	15	49.1 Å²	49.1	9%	0.092	26%	0.258	C	S	.	.	H	α-helix	trans	-60.2	-41.4	179.5	-62.1	0	0	0	0	111.5	I899 Y902 V984 K990 L991 N997 L998	I899-T994 HydrophobicContact CG2-CG2 4.01Å; Y902-T994 HydrophobicContact CD1-CG2 3.88Å; Y902-T994 HydrophobicContact CE1-CG2 3.96Å; V984-T994 HydrophobicContact CG1-CG2 4.11Å; K990-T994 WeakPolarHBondContact O-CB 3.4Å; K990-T994 PolarHBondContact O-N 2.98Å; K990-T994 PolarHBondContact O-OG1 3.27Å; L991-T994 PolarHBondContact O-N 2.97Å; T994-N997 PolarHBondContact O-N 3.02Å; T994-L998 WeakPolarHBondContact O-CB 3.44Å; T994-L998 PolarHBondContact O-N 3.4Å
995	L	87.9	Confident	85.9	Confident	16 Å²	16	50.2 Å²	50.2	8%	0.084	26%	0.263	C	S	.	.	H	α-helix	trans	-64	-39.1	177	-76.8	168.4	0	0	0	112.4	L895 I899 L991 K992 E993 L998 A999	L895-L995 HydrophobicContact CB-CD2 3.99Å; I899-L995 HydrophobicContact CD1-CD2 3.98Å; I899-L995 HydrophobicContact CD1-CG 4.34Å; I899-L995 HydrophobicContact CG1-CD2 4.24Å; L991-L995 HydrophobicContact CD1-CD1 4.1Å; L991-L995 HydrophobicContact CD1-CG 4.28Å; L991-L995 HydrophobicContact CG-CD1 4.07Å; L991-L995 WeakPolarHBondContact O-CB 3.33Å; L991-L995 VanDerWaalsContact O-CG 3.29Å; L991-L995 WeakPolarHBondContact O-CG 3Å; L991-L995 PolarHBondContact O-N 2.93Å; K992-L995 PolarHBondContact O-N 2.86Å; E993-L995 VanDerWaalsContact C-N 3.32Å; E993-L995 PolarHBondContact O-N 2.81Å; L995-L998 HydrophobicContact CD2-CD2 4.35Å; L995-A999 WeakPolarHBondContact O-CB 3.45Å; L995-A999 PolarHBondContact O-N 3.07Å
996	I	82.7	Confident	85	Confident	24 Å²	24	49.1 Å²	49.1	12%	0.123	26%	0.257	C	S	.	.	H	α-helix	trans	-64.9	-52.2	175.9	-68.9	165	0	0	0	110.2	K992 E993 L998 A999 R1000 L1049 M1103 L1107	K992-I996 HydrophobicContact CG-CD1 4.35Å; K992-I996 WeakPolarHBondContact O-CD1 3.28Å; K992-I996 VanDerWaalsContact O-CG1 3.29Å; K992-I996 WeakPolarHBondContact O-CG1 3.49Å; K992-I996 PolarHBondContact O-N 2.72Å; K992-I996 VanDerWaalsContact O-N 3.11Å; E993-I996 PolarHBondContact O-N 2.81Å; E993-I996 VanDerWaalsContact O-N 3.16Å; I996-L998 PolarHBondContact O-N 2.75Å; I996-A999 WeakPolarHBondContact O-CB 3.38Å; I996-A999 PolarHBondContact O-N 3.43Å; I996-A999 VanDerWaalsContact O-N 3.1Å; I996-R1000 WeakPolarHBondContact O-CG 3.14Å; I996-R1000 PolarHBondContact O-N 2.9Å; I996-L1049 HydrophobicContact CG2-CD1 3.61Å; I996-L1049 HydrophobicContact CG2-CD2 4.01Å; I996-L1049 HydrophobicContact CG2-CG 3.86Å; I996-M1103 HydrophobicContact CD1-CE 4.01Å; I996-L1107 HydrophobicContact CG1-CD2 4.07Å
997	N	88.3	Confident	84	Confident	46 Å²	46	49.7 Å²	49.7	25%	0.246	25%	0.249	C	C	.	.	H	α-helix	trans	-65.2	-38.6	-178	-73.5	-28.8	0	0	0	112.7	Y902 E993 T994 R1000 Q1001	Y902-N997 WeakPolarHBondContact OH-CB 3.45Å; E993-N997 PolarHBondContact O-N 2.66Å; T994-N997 PolarHBondContact O-N 3.02Å; N997-R1000 PolarHBondContact O-N 2.88Å; N997-Q1001 WeakPolarHBondContact O-CB 3.48Å; N997-Q1001 PolarHBondContact O-N 3.43Å
998	L	90.3	Very high	82.8	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-56.9	-45.7	168.6	163	57.7	0	0	0	112.2	L895 R898 I899 Y902 F914 T994 L995 I996 T1002	L895-L998 HydrophobicContact CB-CD2 3.78Å; L895-L998 HydrophobicContact CB-CG 4.4Å; L895-L998 HydrophobicContact CD1-CD2 4.36Å; L895-L998 HydrophobicContact CD1-CG 4.12Å; R898-L998 HydrophobicContact CB-CD1 3.92Å; R898-L998 HydrophobicContact CB-CD2 4.06Å; I899-L998 HydrophobicContact CG1-CD2 3.98Å; Y902-L998 HydrophobicContact CD1-CB 4.4Å; Y902-L998 HydrophobicContact CD2-CB 4.26Å; Y902-L998 HydrophobicContact CD2-CD1 4.23Å; Y902-L998 HydrophobicContact CG-CB 4.21Å; Y902-L998 HydrophobicContact CG-CD1 4.23Å; F914-L998 HydrophobicContact CE1-CD1 4.04Å; F914-L998 HydrophobicContact CE2-CD1 4.08Å; F914-L998 HydrophobicContact CZ-CD1 3.39Å; T994-L998 WeakPolarHBondContact O-CB 3.44Å; T994-L998 PolarHBondContact O-N 3.4Å; L995-L998 HydrophobicContact CD2-CD2 4.35Å; I996-L998 PolarHBondContact O-N 2.75Å; L998-T1002 WeakPolarHBondContact O-CB 3.45Å; L998-T1002 PolarHBondContact O-N 3.39Å; L998-T1002 PolarHBondContact O-OG1 2.85Å
999	A	84.5	Confident	81.4	Confident	1 Å²	1	53.4 Å²	53.4	1%	0.008	26%	0.26	C	S	.	.	H	α-helix	trans	-66.9	-43.9	179.2	0	0	0	0	0	112.1	L895 L995 I996 T1002 L1003 L1110 I1114	L895-A999 HydrophobicContact CD1-CB 3.98Å; L995-A999 WeakPolarHBondContact O-CB 3.45Å; L995-A999 PolarHBondContact O-N 3.07Å; I996-A999 WeakPolarHBondContact O-CB 3.38Å; I996-A999 PolarHBondContact O-N 3.43Å; I996-A999 VanDerWaalsContact O-N 3.1Å; A999-T1002 PolarHBondContact O-N 3.3Å; A999-L1003 WeakPolarHBondContact O-CG 3.37Å; A999-L1003 PolarHBondContact O-N 3.36Å; A999-L1110 HydrophobicContact CB-CD2 3.4Å; A999-L1110 VanDerWaalsContact CB-CD2 3.4Å; A999-L1110 HydrophobicContact CB-CG 3.85Å; A999-I1114 HydrophobicContact CB-CD1 3.88Å
1000	R	80.8	Confident	79.8	Confident	80 Å²	80	50.7 Å²	50.7	30%	0.302	24%	0.243	S	C	.	.	H	α-helix	trans	-54.9	-54.1	172.6	-65.3	-179.7	96.3	-175.8	5.7	111	I996 N997 T1002 L1003 T1004 T1045 N1046 L1049	I996-R1000 WeakPolarHBondContact O-CG 3.14Å; I996-R1000 PolarHBondContact O-N 2.9Å; N997-R1000 PolarHBondContact O-N 2.88Å; R1000-T1002 VanDerWaalsContact C-N 3.28Å; R1000-T1002 PolarHBondContact O-N 3.17Å; R1000-L1003 PolarHBondContact O-N 3.29Å; R1000-T1004 PolarHBondContact O-N 3.03Å; R1000-T1004 PolarHBondContact O-OG1 3.27Å; R1000-T1045 HydrophobicContact CG-CG2 4.47Å; R1000-N1046 PolarHBondContact NH2-OD1 3.01Å; R1000-L1049 HydrophobicContact CG-CD1 3.88Å
1001	Q	84.7	Confident	77.5	Confident	58 Å²	58	50 Å²	50	27%	0.271	24%	0.243	S	C	.	.	H	α-helix	trans	-61.5	-38.4	-178.7	-159.5	-162.9	35	0	0	111.5	Y902 N997 T1004 N1005	Y902-Q1001 VanDerWaalsContact CD2-OE1 3.32Å; Y902-Q1001 HydrophobicContact CE2-CB 4.41Å; N997-Q1001 WeakPolarHBondContact O-CB 3.48Å; N997-Q1001 PolarHBondContact O-N 3.43Å; Q1001-T1004 PolarHBondContact O-N 3.32Å; Q1001-N1005 VanDerWaalsContact O-CB 3.31Å; Q1001-N1005 WeakPolarHBondContact O-CB 3.27Å; Q1001-N1005 PolarHBondContact O-N 3.34Å; Q1001-N1005 PolarHBondContact O-ND2 2.93Å; Q1001-N1005 VanDerWaalsContact O-ND2 3.08Å
1002	T	83.5	Confident	75.1	Confident	6 Å²	6	53.8 Å²	53.8	4%	0.037	27%	0.269	C	S	.	.	H	α-helix	trans	-64.3	-44.4	177	-54.6	0	0	0	0	111.8	L998 A999 R1000 N1005 L1006 I1114	L998-T1002 WeakPolarHBondContact O-CB 3.45Å; L998-T1002 PolarHBondContact O-N 3.39Å; L998-T1002 PolarHBondContact O-OG1 2.85Å; A999-T1002 PolarHBondContact O-N 3.3Å; R1000-T1002 VanDerWaalsContact C-N 3.28Å; R1000-T1002 PolarHBondContact O-N 3.17Å; T1002-N1005 PolarHBondContact O-N 3.13Å; T1002-L1006 HydrophobicContact CG2-CD1 4.18Å; T1002-L1006 VanDerWaalsContact O-CG 3.3Å; T1002-L1006 WeakPolarHBondContact O-CG 3.42Å; T1002-L1006 PolarHBondContact O-N 3.44Å; T1002-I1114 HydrophobicContact CG2-CD1 4.24Å; T1002-I1114 HydrophobicContact CG2-CG1 4.23Å; T1002-I1114 HydrophobicContact CG2-CG2 3.56Å
1003	L	78.3	Confident	72.6	Confident	5 Å²	5	59 Å²	59	3%	0.026	30%	0.299	C	S	.	.	H	α-helix	trans	-65.8	-43	176.3	-70.2	176.8	0	0	0	112.3	A999 R1000 N1005 L1006 W1007 L1042 L1110 I1114 L1117	A999-L1003 WeakPolarHBondContact O-CG 3.37Å; A999-L1003 PolarHBondContact O-N 3.36Å; R1000-L1003 PolarHBondContact O-N 3.29Å; L1003-N1005 VanDerWaalsContact C-N 3.33Å; L1003-N1005 PolarHBondContact O-N 3.3Å; L1003-L1006 PolarHBondContact O-N 3.24Å; L1003-W1007 PolarHBondContact O-N 3.46Å; L1003-L1042 HydrophobicContact CB-CD2 3.8Å; L1003-L1042 HydrophobicContact CD1-CD2 4.12Å; L1003-L1110 HydrophobicContact CD1-CD1 3.79Å; L1003-I1114 HydrophobicContact CD2-CG1 3.79Å; L1003-I1114 HydrophobicContact CG-CD1 4.43Å; L1003-I1114 HydrophobicContact CG-CG1 4.09Å; L1003-L1117 HydrophobicContact CD2-CD1 3.7Å
1004	T	76.9	Confident	69.8	Low	65 Å²	65	61.2 Å²	61.2	40%	0.399	31%	0.311	S	S	.	.	H	α-helix	trans	-60.1	-42.9	174.1	-59.3	0	0	0	0	111.5	R1000 Q1001 L1006 W1007 M1008	R1000-T1004 PolarHBondContact O-N 3.03Å; R1000-T1004 PolarHBondContact O-OG1 3.27Å; Q1001-T1004 PolarHBondContact O-N 3.32Å; T1004-L1006 VanDerWaalsContact C-N 3.33Å; T1004-L1006 PolarHBondContact O-N 3.42Å; T1004-W1007 PolarHBondContact O-N 3.16Å; T1004-M1008 HydrophobicContact CG2-CG 4.05Å; T1004-M1008 WeakPolarHBondContact O-CB 3.38Å; T1004-M1008 WeakPolarHBondContact O-CG 3.31Å; T1004-M1008 PolarHBondContact O-N 3.28Å
1005	N	76	Confident	67.2	Low	36 Å²	36	65.2 Å²	65.2	19%	0.193	34%	0.337	C	S	.	.	H	α-helix	trans	-63	-37.6	175.5	-74	-30.2	0	0	0	112.5	Q1001 T1002 L1003 N1009	Q1001-N1005 VanDerWaalsContact O-CB 3.31Å; Q1001-N1005 WeakPolarHBondContact O-CB 3.27Å; Q1001-N1005 PolarHBondContact O-N 3.34Å; Q1001-N1005 PolarHBondContact O-ND2 2.93Å; Q1001-N1005 VanDerWaalsContact O-ND2 3.08Å; T1002-N1005 PolarHBondContact O-N 3.13Å; L1003-N1005 VanDerWaalsContact C-N 3.33Å; L1003-N1005 PolarHBondContact O-N 3.3Å; N1005-N1009 WeakPolarHBondContact O-CB 3.32Å; N1005-N1009 PolarHBondContact O-N 3.24Å; N1005-N1009 PolarHBondContact O-ND2 3.26Å
1006	L	71.8	Confident	64.7	Low	24 Å²	24	73.3 Å²	73.3	13%	0.126	37%	0.372	C	S	.	.	H	α-helix	trans	-68.9	-35.3	175.9	-72.8	165.7	0	0	0	112.5	T1002 L1003 T1004 L1117 E1118 I1121	T1002-L1006 HydrophobicContact CG2-CD1 4.18Å; T1002-L1006 VanDerWaalsContact O-CG 3.3Å; T1002-L1006 WeakPolarHBondContact O-CG 3.42Å; T1002-L1006 PolarHBondContact O-N 3.44Å; L1003-L1006 PolarHBondContact O-N 3.24Å; T1004-L1006 VanDerWaalsContact C-N 3.33Å; T1004-L1006 PolarHBondContact O-N 3.42Å; L1006-L1117 HydrophobicContact CD1-CB 4.05Å; L1006-E1118 HydrophobicContact CD1-CG 4.18Å; L1006-E1118 HydrophobicContact CD2-CG 3.85Å; L1006-I1121 HydrophobicContact CD2-CD1 4.26Å
1007	W	68.5	Low	62.5	Low	81 Å²	81	79.5 Å²	79.5	31%	0.307	41%	0.405	S	S	.	.	H	α-helix	trans	-71.9	-53.4	177.2	-172	10.1	0	0	0	111.9	L1003 T1004 N1009 L1042 F1076	L1003-W1007 PolarHBondContact O-N 3.46Å; T1004-W1007 PolarHBondContact O-N 3.16Å; W1007-N1009 PolarHBondContact O-N 3.47Å; W1007-L1042 HydrophobicContact CD2-CD1 4.03Å; W1007-L1042 HydrophobicContact CE3-CD1 3.34Å; W1007-L1042 HydrophobicContact CZ3-CD1 3.65Å; W1007-F1076 HydrophobicContact CH2-CZ 4.04Å
1008	M	66.3	Low	60.2	Low	136 Å²	136	82.6 Å²	82.6	67%	0.67	43%	0.426	S	S	*	.	H	α-helix	trans	-67.1	-38.3	-172	-68.9	-62.1	-68	0	0	113.8	T1004 K1010	T1004-M1008 HydrophobicContact CG2-CG 4.05Å; T1004-M1008 WeakPolarHBondContact O-CB 3.38Å; T1004-M1008 WeakPolarHBondContact O-CG 3.31Å; T1004-M1008 PolarHBondContact O-N 3.28Å; M1008-K1010 VanDerWaalsContact C-N 3.34Å; M1008-K1010 PolarHBondContact O-N 2.91Å
1009	N	58.6	Low	57.7	Low	107 Å²	107	88 Å²	88	57%	0.572	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82	-5.6	-170.1	-73.4	-76.9	0	0	0	114.7	N1005 W1007	N1005-N1009 WeakPolarHBondContact O-CB 3.32Å; N1005-N1009 PolarHBondContact O-N 3.24Å; N1005-N1009 PolarHBondContact O-ND2 3.26Å; W1007-N1009 PolarHBondContact O-N 3.47Å
1010	K	55.3	Low	55.6	Low	76 Å²	76	91.9 Å²	91.9	33%	0.33	48%	0.478	S	S	.	.	S	Bend	trans	-141.5	14.4	-163	-58.8	-161.8	-175.9	-178.6	0	117	M1008 I1121	M1008-K1010 VanDerWaalsContact C-N 3.34Å; M1008-K1010 PolarHBondContact O-N 2.91Å; K1010-I1121 HydrophobicContact CB-CG2 4.42Å; K1010-I1121 HydrophobicContact CD-CB 4.04Å; K1010-I1121 HydrophobicContact CD-CD1 4.13Å; K1010-I1121 HydrophobicContact CD-CG2 3.31Å; K1010-I1121 HydrophobicContact CG-CG2 4.48Å
1011	I	42	Very low	53.9	Low	66 Å²	66	95 Å²	95	34%	0.338	50%	0.496	S	S	.	.	S	Bend	trans	-114.7	119.9	165.1	-58.1	-176.6	0	0	0	108.4	L1013	I1011-L1013 PolarHBondContact O-N 3.37Å
1012	P	37.7	Very low	51.6	Low	112 Å²	112	100 Å²	100	73%	0.727	52%	0.519	S	S	*	.			trans	-65.8	120.5	179.2	-22.1	33.8	0	0	0	112.7	M1014	P1012-M1014 PolarHBondContact O-N 2.88Å
1013	L	32.8	Very low	49.6	Very low	174 Å²	174	106.7 Å²	106.7	91%	0.911	54%	0.544	S	S	*	.			trans	-85.6	93.3	169.6	-70.8	169.1	0	0	0	109.5	I1011	I1011-L1013 PolarHBondContact O-N 3.37Å
1014	M	29.4	Very low	47.9	Very low	158 Å²	158	111.7 Å²	111.7	78%	0.778	57%	0.566	S	S	*	*			trans	-97.6	144	171.6	-71.4	-169.6	73.7	0	0	111.9	P1012	P1012-M1014 PolarHBondContact O-N 2.88Å
1015	P	35.2	Very low	46.2	Very low	98 Å²	98	114.6 Å²	114.6	64%	0.636	58%	0.579	S	S	*	*			trans	-69.4	147.9	178.3	29.1	-34.9	0	0	0	112.1	N1017	P1015-N1017 VanDerWaalsContact C-N 3.25Å; P1015-N1017 PolarHBondContact O-N 2.82Å
1016	K	35.7	Very low	44.4	Very low	186 Å²	186	118.9 Å²	118.9	81%	0.809	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.7	-10.2	-165.4	-67.2	-178	175.8	179.7	0	116.6
1017	N	36.9	Very low	43	Very low	155 Å²	155	123 Å²	123	83%	0.829	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.8	11.2	-157.8	-66.3	15	0	0	0	115.4	P1015	P1015-N1017 VanDerWaalsContact C-N 3.25Å; P1015-N1017 PolarHBondContact O-N 2.82Å
1018	T	38.8	Very low	41.7	Very low	111 Å²	111	123.4 Å²	123.4	68%	0.681	64%	0.639	S	S	*	*			trans	-124.5	28	-171.6	-17.3	0	0	0	0	114	T1020	T1018-T1020 PolarHBondContact O-N 3.25Å
1019	I	37.2	Very low	40.4	Very low	113 Å²	113	124 Å²	124	58%	0.579	64%	0.643	S	S	*	*			trans	-87.4	98.6	-176.8	-53.7	175.6	0	0	0	110.4	K1024	I1019-K1024 HydrophobicContact CG2-CG 3.85Å
1020	T	41.7	Very low	39.6	Very low	83 Å²	83	122.7 Å²	122.7	51%	0.509	63%	0.632	S	S	.	*			trans	-70.9	151.7	158.7	52.6	0	0	0	0	109.9	T1018 E1022 Y1023	T1018-T1020 PolarHBondContact O-N 3.25Å; T1020-E1022 VanDerWaalsContact C-N 3.29Å; T1020-E1022 PolarHBondContact O-N 2.9Å; T1020-Y1023 PolarHBondContact O-N 3.38Å; T1020-Y1023 VanDerWaalsContact O-N 3.13Å
1021	E	44	Very low	39.4	Very low	145 Å²	145	123 Å²	123	68%	0.678	64%	0.638	S	S	*	*	G	3₁₀ helix	trans	-66.7	-32.8	-172.7	-54.1	-148	99.8	0	0	112.9	Y1023 K1024	E1021-Y1023 PolarHBondContact O-N 3.4Å; E1021-Y1023 VanDerWaalsContact O-N 3.07Å; E1021-K1024 WeakPolarHBondContact O-CB 3.32Å; E1021-K1024 PolarHBondContact O-N 3.28Å; E1021-K1024 IonicContact OE1-NZ 2.77Å; E1021-K1024 PolarHBondContact OE1-NZ 3.27Å
1022	E	37.7	Very low	39.5	Very low	162 Å²	162	127.8 Å²	127.8	76%	0.757	66%	0.656	S	S	*	*	G	3₁₀ helix	trans	-57.3	-19.8	174	-162.4	170.9	-145.4	0	0	113.8	T1020 N1026	T1020-E1022 VanDerWaalsContact C-N 3.29Å; T1020-E1022 PolarHBondContact O-N 2.9Å; E1022-N1026 PolarHBondContact O-ND2 2.73Å
1023	Y	41.5	Very low	39.8	Very low	147 Å²	147	131.6 Å²	131.6	58%	0.576	66%	0.661	S	S	*	*	G	3₁₀ helix	trans	-89.4	-13.1	175.3	-105	-90.6	0	0	0	114.7	T1020 E1021	T1020-Y1023 PolarHBondContact O-N 3.38Å; T1020-Y1023 VanDerWaalsContact O-N 3.13Å; E1021-Y1023 PolarHBondContact O-N 3.4Å; E1021-Y1023 VanDerWaalsContact O-N 3.07Å
1024	K	41.6	Very low	40.9	Very low	111 Å²	111	126.3 Å²	126.3	48%	0.483	64%	0.639	S	S	.	*	T	Hydrogen-bonded Turn	trans	-69.8	-41.8	-177.2	-66.9	174.9	-176.4	169.6	0	112.1	I1019 E1021	I1019-K1024 HydrophobicContact CG2-CG 3.85Å; E1021-K1024 WeakPolarHBondContact O-CB 3.32Å; E1021-K1024 PolarHBondContact O-N 3.28Å; E1021-K1024 IonicContact OE1-NZ 2.77Å; E1021-K1024 PolarHBondContact OE1-NZ 3.27Å
1025	D	41	Very low	41.7	Very low	125 Å²	125	122.9 Å²	122.9	67%	0.668	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.1	-38.9	-174.5	-67.4	-21.4	0	0	0	112.5	L1027 S1028	D1025-L1027 VanDerWaalsContact C-N 3.31Å; D1025-L1027 PolarHBondContact O-N 2.79Å; D1025-S1028 VanDerWaalsContact O-CB 3.32Å; D1025-S1028 WeakPolarHBondContact O-CB 3.41Å; D1025-S1028 PolarHBondContact O-N 2.82Å; D1025-S1028 PolarHBondContact O-OG 2.75Å
1026	N	39.5	Very low	42.5	Very low	126 Å²	126	122.5 Å²	122.5	67%	0.674	61%	0.61	S	S	*	*	G	3₁₀ helix	trans	-70.5	-22.4	-177.6	-72.4	-61.3	0	0	0	113.8	E1022 S1028	E1022-N1026 PolarHBondContact O-ND2 2.73Å; N1026-S1028 VanDerWaalsContact C-N 3.28Å; N1026-S1028 PolarHBondContact O-N 3.19Å
1027	L	40.9	Very low	43.6	Very low	111 Å²	111	116.3 Å²	116.3	58%	0.581	59%	0.59	S	S	*	*	G	3₁₀ helix	trans	-74.1	-16.4	176	-112.6	75.4	0	0	0	113.8	D1025 I1029	D1025-L1027 VanDerWaalsContact C-N 3.31Å; D1025-L1027 PolarHBondContact O-N 2.79Å; L1027-I1029 VanDerWaalsContact C-N 3.32Å; L1027-I1029 PolarHBondContact O-N 3.24Å
1028	S	41.4	Very low	44.4	Very low	89 Å²	89	110.7 Å²	110.7	62%	0.622	56%	0.56	S	S	*	*	G	3₁₀ helix	trans	-65.9	-28.1	-168.1	64	0	0	0	0	114.8	D1025 N1026	D1025-S1028 VanDerWaalsContact O-CB 3.32Å; D1025-S1028 WeakPolarHBondContact O-CB 3.41Å; D1025-S1028 PolarHBondContact O-N 2.82Å; D1025-S1028 PolarHBondContact O-OG 2.75Å; N1026-S1028 VanDerWaalsContact C-N 3.28Å; N1026-S1028 PolarHBondContact O-N 3.19Å
1029	I	39.6	Very low	45.1	Very low	148 Å²	148	108.9 Å²	108.9	76%	0.759	54%	0.543	S	S	*	.	G	3₁₀ helix	trans	-80.1	-32.5	-166.3	-62.6	178.2	0	0	0	112.8	L1027	L1027-I1029 VanDerWaalsContact C-N 3.32Å; L1027-I1029 PolarHBondContact O-N 3.24Å
1030	F	40.8	Very low	46.4	Very low	80 Å²	80	108.7 Å²	108.7	35%	0.351	54%	0.542	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.3	-27.7	-165.2	-126.9	-84	0	0	0	116.5	H1124 F1128	F1030-H1124 AromaticContact CE1-CD2 3.87Å; F1030-H1124 HydrophobicContact CZ-CB 4.36Å; F1030-H1124 AromaticContact CZ-CD2 3.57Å; F1030-H1124 AromaticContact CZ-CE1 3.61Å; F1030-H1124 AromaticContact CZ-CG 3.52Å; F1030-H1124 AromaticContact CZ-ND1 3.53Å; F1030-H1124 AromaticContact CZ-NE2 3.63Å; F1030-F1128 HydrophobicContact CD2-CE2 4.48Å
1031	N	52.8	Low	47.3	Very low	84 Å²	84	107.6 Å²	107.6	45%	0.449	53%	0.531	S	S	.	.	S	Bend	trans	-112	11.7	-152.8	-117.6	-10.3	0	0	0	117.3	Y1035	N1031-Y1035 WeakPolarHBondContact O-CB 3.39Å
1032	K	42.6	Very low	47.9	Very low	165 Å²	165	101.5 Å²	101.5	72%	0.717	50%	0.503	S	S	*	.	S	Bend	trans	-109.3	-49.7	177.8	-139.6	169.6	-171.4	175.3	0	114.8	N1036	K1032-N1036 VanDerWaalsContact O-CB 3.28Å; K1032-N1036 WeakPolarHBondContact O-CB 3.33Å; K1032-N1036 PolarHBondContact O-N 2.98Å; K1032-N1036 PolarHBondContact O-OD1 3.02Å
1033	K	45	Very low	48.7	Very low	193 Å²	193	100.3 Å²	100.3	84%	0.839	49%	0.493	S	S	*	.	H	α-helix	trans	-72.4	-48.7	-179.4	-73.3	-173.5	177.5	-179.5	0	112.9	N1036 S1037	K1033-N1036 PolarHBondContact O-N 3.06Å; K1033-S1037 PolarHBondContact O-N 3.28Å
1034	S	54.8	Low	49.7	Very low	63 Å²	63	96.2 Å²	96.2	44%	0.441	48%	0.483	S	S	.	.	H	α-helix	trans	-64.9	-42.5	178.7	-50.7	0	0	0	0	111.9	S1037 I1038	S1034-S1037 PolarHBondContact O-N 2.83Å; S1034-I1038 WeakPolarHBondContact O-CG1 3.29Å; S1034-I1038 PolarHBondContact O-N 3.41Å
1035	Y	46.8	Very low	50.3	Low	86 Å²	86	91.6 Å²	91.6	34%	0.337	47%	0.465	S	S	.	.	H	α-helix	trans	-57.8	-51.2	172.7	174.3	-100.1	0	0	0	111.8	N1031 S1037 I1038 K1039	N1031-Y1035 WeakPolarHBondContact O-CB 3.39Å; Y1035-S1037 VanDerWaalsContact C-N 3.32Å; Y1035-S1037 PolarHBondContact O-N 3.41Å; Y1035-I1038 PolarHBondContact O-N 3.18Å; Y1035-K1039 HydrophobicContact CE1-CD 3.96Å; Y1035-K1039 VanDerWaalsContact O-CB 3.24Å; Y1035-K1039 WeakPolarHBondContact O-CB 3.32Å; Y1035-K1039 PolarHBondContact O-N 2.7Å
1036	N	53.1	Low	51	Low	89 Å²	89	88.9 Å²	88.9	48%	0.476	45%	0.45	S	S	.	.	H	α-helix	trans	-62.4	-37	177.7	-76.6	3.2	0	0	0	112.4	K1032 K1033 L1040	K1032-N1036 VanDerWaalsContact O-CB 3.28Å; K1032-N1036 WeakPolarHBondContact O-CB 3.33Å; K1032-N1036 PolarHBondContact O-N 2.98Å; K1032-N1036 PolarHBondContact O-OD1 3.02Å; K1033-N1036 PolarHBondContact O-N 3.06Å; N1036-L1040 WeakPolarHBondContact O-CB 3.48Å; N1036-L1040 PolarHBondContact O-N 3.49Å
1037	S	57	Low	51.9	Low	56 Å²	56	88.4 Å²	88.4	39%	0.392	44%	0.442	S	S	.	.	H	α-helix	trans	-63.2	-48.7	175.3	-168.4	0	0	0	0	111.7	K1033 S1034 Y1035 L1040 Q1041	K1033-S1037 PolarHBondContact O-N 3.28Å; S1034-S1037 PolarHBondContact O-N 2.83Å; Y1035-S1037 VanDerWaalsContact C-N 3.32Å; Y1035-S1037 PolarHBondContact O-N 3.41Å; S1037-L1040 PolarHBondContact O-N 2.83Å; S1037-Q1041 WeakPolarHBondContact O-CB 3.47Å; S1037-Q1041 VanDerWaalsContact O-CG 3.23Å; S1037-Q1041 WeakPolarHBondContact O-CG 3.4Å; S1037-Q1041 PolarHBondContact O-N 2.86Å; S1037-Q1041 PolarHBondContact O-OE1 3.44Å; S1037-Q1041 PolarHBondContact OG-OE1 3.37Å
1038	I	54.4	Low	52.6	Low	37 Å²	37	86.7 Å²	86.7	19%	0.19	43%	0.431	C	S	.	.	H	α-helix	trans	-66	-44.7	179.8	-66	166.6	0	0	0	110.4	S1034 Y1035 L1040 Q1041 L1042 L1117	S1034-I1038 WeakPolarHBondContact O-CG1 3.29Å; S1034-I1038 PolarHBondContact O-N 3.41Å; Y1035-I1038 PolarHBondContact O-N 3.18Å; I1038-L1040 PolarHBondContact O-N 2.78Å; I1038-Q1041 PolarHBondContact O-N 3.37Å; I1038-L1042 HydrophobicContact CG2-CD1 3.85Å; I1038-L1042 HydrophobicContact CG2-CG 4.47Å; I1038-L1042 WeakPolarHBondContact O-CB 3.2Å; I1038-L1042 WeakPolarHBondContact O-CG 3.3Å; I1038-L1042 PolarHBondContact O-N 3.23Å; I1038-L1117 HydrophobicContact CD1-CD2 3.91Å; I1038-L1117 HydrophobicContact CG1-CD1 4.33Å; I1038-L1117 HydrophobicContact CG1-CD2 3.82Å
1039	K	54.6	Low	53	Low	74 Å²	74	83.6 Å²	83.6	32%	0.322	41%	0.407	S	S	.	.	H	α-helix	trans	-59.7	-44.4	175.9	-180	172.5	173.2	172	0	111.5	Y1035 Y1043 F1076	Y1035-K1039 HydrophobicContact CE1-CD 3.96Å; Y1035-K1039 VanDerWaalsContact O-CB 3.24Å; Y1035-K1039 WeakPolarHBondContact O-CB 3.32Å; Y1035-K1039 PolarHBondContact O-N 2.7Å; K1039-Y1043 WeakPolarHBondContact O-CB 3.42Å; K1039-Y1043 PolarHBondContact O-N 3.43Å; K1039-F1076 HydrophobicContact CD-CE1 4.26Å; K1039-F1076 HydrophobicContact CG-CE1 4.23Å
1040	L	63.4	Low	53.1	Low	109 Å²	109	81.3 Å²	81.3	57%	0.571	40%	0.396	S	S	*	.	H	α-helix	trans	-68.3	-42.8	177.8	-173.9	66.6	0	0	0	111.7	N1036 S1037 I1038 Y1043 T1044	N1036-L1040 WeakPolarHBondContact O-CB 3.48Å; N1036-L1040 PolarHBondContact O-N 3.49Å; S1037-L1040 PolarHBondContact O-N 2.83Å; I1038-L1040 PolarHBondContact O-N 2.78Å; L1040-Y1043 WeakPolarHBondContact O-CB 3.28Å; L1040-Y1043 PolarHBondContact O-N 3.29Å; L1040-T1044 PolarHBondContact O-N 3.42Å; L1040-T1044 PolarHBondContact O-OG1 3.31Å; L1040-T1044 VanDerWaalsContact O-OG1 3.1Å
1041	Q	59.7	Low	53.5	Low	59 Å²	59	81.4 Å²	81.4	28%	0.276	40%	0.4	S	S	.	.	H	α-helix	trans	-67.3	-36.5	178.3	-71.9	174.3	-60.6	0	0	112.2	S1037 I1038 T1045 T1113	S1037-Q1041 WeakPolarHBondContact O-CB 3.47Å; S1037-Q1041 VanDerWaalsContact O-CG 3.23Å; S1037-Q1041 WeakPolarHBondContact O-CG 3.4Å; S1037-Q1041 PolarHBondContact O-N 2.86Å; S1037-Q1041 PolarHBondContact O-OE1 3.44Å; S1037-Q1041 PolarHBondContact OG-OE1 3.37Å; I1038-Q1041 PolarHBondContact O-N 3.37Å; Q1041-T1045 VanDerWaalsContact O-CB 3.31Å; Q1041-T1045 WeakPolarHBondContact O-CB 3.29Å; Q1041-T1045 PolarHBondContact O-N 3.08Å; Q1041-T1045 PolarHBondContact O-OG1 2.96Å; Q1041-T1113 PolarHBondContact NE2-OG1 2.83Å
1042	L	57.2	Low	53	Low	17 Å²	17	79 Å²	79	9%	0.089	39%	0.389	C	S	.	.	H	α-helix	trans	-64.8	-41.9	169.7	-77.4	167.4	0	0	0	111.9	L1003 W1007 I1038 T1045 N1046	L1003-L1042 HydrophobicContact CB-CD2 3.8Å; L1003-L1042 HydrophobicContact CD1-CD2 4.12Å; W1007-L1042 HydrophobicContact CD2-CD1 4.03Å; W1007-L1042 HydrophobicContact CE3-CD1 3.34Å; W1007-L1042 HydrophobicContact CZ3-CD1 3.65Å; I1038-L1042 HydrophobicContact CG2-CD1 3.85Å; I1038-L1042 HydrophobicContact CG2-CG 4.47Å; I1038-L1042 WeakPolarHBondContact O-CB 3.2Å; I1038-L1042 WeakPolarHBondContact O-CG 3.3Å; I1038-L1042 PolarHBondContact O-N 3.23Å; L1042-T1045 PolarHBondContact O-N 3.09Å; L1042-N1046 WeakPolarHBondContact O-CB 3.13Å; L1042-N1046 PolarHBondContact O-N 2.96Å; L1042-N1046 PolarHBondContact O-ND2 3.21Å
1043	Y	55.8	Low	52.7	Low	137 Å²	137	74.5 Å²	74.5	54%	0.537	38%	0.375	S	S	.	.	H	α-helix	trans	-63.2	-47.5	175.5	-178.6	-95.3	0	0	0	111.9	K1039 L1040 N1046 K1047	K1039-Y1043 WeakPolarHBondContact O-CB 3.42Å; K1039-Y1043 PolarHBondContact O-N 3.43Å; L1040-Y1043 WeakPolarHBondContact O-CB 3.28Å; L1040-Y1043 PolarHBondContact O-N 3.29Å; Y1043-N1046 PolarHBondContact O-N 3.45Å; Y1043-K1047 HydrophobicContact CE1-CD 4.47Å; Y1043-K1047 WeakPolarHBondContact O-CB 3.03Å; Y1043-K1047 PolarHBondContact O-N 3.03Å
1044	T	61.5	Low	52.3	Low	61 Å²	61	69.8 Å²	69.8	37%	0.374	36%	0.363	S	S	.	.	H	α-helix	trans	-60.5	-46.5	174.6	-58	0	0	0	0	111.2	L1040 N1046 K1047 E1048	L1040-T1044 PolarHBondContact O-N 3.42Å; L1040-T1044 PolarHBondContact O-OG1 3.31Å; L1040-T1044 VanDerWaalsContact O-OG1 3.1Å; T1044-N1046 VanDerWaalsContact C-N 3.33Å; T1044-N1046 PolarHBondContact O-N 3.13Å; T1044-K1047 PolarHBondContact O-N 3.08Å; T1044-K1047 VanDerWaalsContact O-N 3.13Å; T1044-E1048 HydrophobicContact CG2-CG 4.37Å; T1044-E1048 WeakPolarHBondContact CG2-OE1 3.44Å; T1044-E1048 WeakPolarHBondContact O-CB 3.34Å; T1044-E1048 WeakPolarHBondContact O-CG 3.41Å; T1044-E1048 PolarHBondContact O-N 3.37Å
1045	T	55.2	Low	51.6	Low	15 Å²	15	71.7 Å²	71.7	9%	0.092	37%	0.372	C	S	.	.	H	α-helix	trans	-58.7	-45.1	176.7	-54.8	0	0	0	0	110.9	R1000 Q1041 L1042 L1049 L1110	R1000-T1045 HydrophobicContact CG-CG2 4.47Å; Q1041-T1045 VanDerWaalsContact O-CB 3.31Å; Q1041-T1045 WeakPolarHBondContact O-CB 3.29Å; Q1041-T1045 PolarHBondContact O-N 3.08Å; Q1041-T1045 PolarHBondContact O-OG1 2.96Å; L1042-T1045 PolarHBondContact O-N 3.09Å; T1045-L1049 HydrophobicContact CG2-CD1 3.99Å; T1045-L1049 WeakPolarHBondContact O-CB 3.43Å; T1045-L1049 VanDerWaalsContact O-CD1 3.29Å; T1045-L1049 WeakPolarHBondContact O-CD1 3.28Å; T1045-L1049 PolarHBondContact O-N 3.21Å; T1045-L1110 HydrophobicContact CG2-CD1 4.48Å; T1045-L1110 HydrophobicContact CG2-CD2 4.34Å
1046	N	54.8	Low	51	Low	68 Å²	68	72.5 Å²	72.5	36%	0.364	39%	0.386	S	S	.	.	H	α-helix	trans	-68.4	-31.8	176.8	-76.2	-33.1	0	0	0	113	R1000 L1042 Y1043 T1044 L1049 L1050	R1000-N1046 PolarHBondContact NH2-OD1 3.01Å; L1042-N1046 WeakPolarHBondContact O-CB 3.13Å; L1042-N1046 PolarHBondContact O-N 2.96Å; L1042-N1046 PolarHBondContact O-ND2 3.21Å; Y1043-N1046 PolarHBondContact O-N 3.45Å; T1044-N1046 VanDerWaalsContact C-N 3.33Å; T1044-N1046 PolarHBondContact O-N 3.13Å; N1046-L1049 WeakPolarHBondContact O-CB 3.4Å; N1046-L1050 WeakPolarHBondContact O-CB 3.49Å; N1046-L1050 PolarHBondContact O-N 3.46Å
1047	K	58.2	Low	49.9	Very low	116 Å²	116	73.2 Å²	73.2	50%	0.504	39%	0.394	S	S	.	.	H	α-helix	trans	-73	-43.1	176	-173.4	177.9	179.4	-178.4	0	112	Y1043 T1044 L1049 L1050 I1051	Y1043-K1047 HydrophobicContact CE1-CD 4.47Å; Y1043-K1047 WeakPolarHBondContact O-CB 3.03Å; Y1043-K1047 PolarHBondContact O-N 3.03Å; T1044-K1047 PolarHBondContact O-N 3.08Å; T1044-K1047 VanDerWaalsContact O-N 3.13Å; K1047-L1049 VanDerWaalsContact C-N 3.29Å; K1047-L1049 PolarHBondContact O-N 3.04Å; K1047-L1050 PolarHBondContact O-N 3.13Å; K1047-I1051 HydrophobicContact CG-CD1 4.22Å; K1047-I1051 VanDerWaalsContact O-CG1 3.32Å; K1047-I1051 WeakPolarHBondContact O-CG1 3.33Å; K1047-I1051 PolarHBondContact O-N 3.39Å
1048	E	56.2	Low	48.6	Very low	75 Å²	75	78.2 Å²	78.2	35%	0.35	42%	0.416	S	S	.	.	H	α-helix	trans	-60	-41.5	171.5	-73	179.5	-164.1	0	0	110.8	T1044 S1052 S1106	T1044-E1048 HydrophobicContact CG2-CG 4.37Å; T1044-E1048 WeakPolarHBondContact CG2-OE1 3.44Å; T1044-E1048 WeakPolarHBondContact O-CB 3.34Å; T1044-E1048 WeakPolarHBondContact O-CG 3.41Å; T1044-E1048 PolarHBondContact O-N 3.37Å; E1048-S1052 WeakPolarHBondContact O-CB 3.43Å; E1048-S1052 PolarHBondContact O-N 3.41Å; E1048-S1052 PolarHBondContact O-OG 2.94Å; E1048-S1106 PolarHBondContact OE1-OG 2.85Å; E1048-S1106 WeakPolarHBondContact OE2-CB 3.45Å; E1048-S1106 PolarHBondContact OE2-OG 3.41Å
1049	L	49.8	Very low	47.7	Very low	23 Å²	23	84 Å²	84	12%	0.12	45%	0.448	C	S	.	.	H	α-helix	trans	-59.4	-50.3	171.2	-104.5	123.4	0	0	0	112.3	I996 R1000 T1045 N1046 K1047 I1051 S1052 T1053	I996-L1049 HydrophobicContact CG2-CD1 3.61Å; I996-L1049 HydrophobicContact CG2-CD2 4.01Å; I996-L1049 HydrophobicContact CG2-CG 3.86Å; R1000-L1049 HydrophobicContact CG-CD1 3.88Å; T1045-L1049 HydrophobicContact CG2-CD1 3.99Å; T1045-L1049 WeakPolarHBondContact O-CB 3.43Å; T1045-L1049 VanDerWaalsContact O-CD1 3.29Å; T1045-L1049 WeakPolarHBondContact O-CD1 3.28Å; T1045-L1049 PolarHBondContact O-N 3.21Å; N1046-L1049 WeakPolarHBondContact O-CB 3.4Å; K1047-L1049 VanDerWaalsContact C-N 3.29Å; K1047-L1049 PolarHBondContact O-N 3.04Å; L1049-I1051 VanDerWaalsContact C-N 3.31Å; L1049-I1051 PolarHBondContact O-N 3.07Å; L1049-S1052 WeakPolarHBondContact CA-OG 3.47Å; L1049-S1052 CarbonylContact O-C 3.49Å; L1049-S1052 PolarHBondContact O-N 2.89Å; L1049-S1052 PolarHBondContact O-OG 2.84Å; L1049-T1053 PolarHBondContact O-N 2.81Å; L1049-T1053 PolarHBondContact O-OG1 2.91Å; L1049-T1053 VanDerWaalsContact O-OG1 3.13Å
1050	L	40.5	Very low	46.5	Very low	100 Å²	100	88.5 Å²	88.5	52%	0.524	48%	0.475	S	S	.	.	H	α-helix	trans	-55.4	-49.7	-178.2	-165.9	74.6	0	0	0	110.4	N1046 K1047 S1052 T1053 T1054	N1046-L1050 WeakPolarHBondContact O-CB 3.49Å; N1046-L1050 PolarHBondContact O-N 3.46Å; K1047-L1050 PolarHBondContact O-N 3.13Å; L1050-S1052 VanDerWaalsContact C-N 3.34Å; L1050-S1052 PolarHBondContact O-N 3.43Å; L1050-T1053 WeakPolarHBondContact CA-OG1 3.42Å; L1050-T1053 PolarHBondContact O-N 3.07Å; L1050-T1053 VanDerWaalsContact O-N 3.14Å; L1050-T1053 PolarHBondContact O-OG1 3.2Å; L1050-T1054 WeakPolarHBondContact O-CG2 3.21Å; L1050-T1054 PolarHBondContact O-N 3.25Å; L1050-T1054 PolarHBondContact O-OG1 3.19Å
1051	I	50.3	Low	45.1	Very low	83 Å²	83	90 Å²	90	43%	0.426	48%	0.484	S	S	.	.	H	α-helix	trans	-56.6	-46.7	175.5	-66	163.7	0	0	0	110.7	K1047 L1049 T1053 T1054 T1055	K1047-I1051 HydrophobicContact CG-CD1 4.22Å; K1047-I1051 VanDerWaalsContact O-CG1 3.32Å; K1047-I1051 WeakPolarHBondContact O-CG1 3.33Å; K1047-I1051 PolarHBondContact O-N 3.39Å; L1049-I1051 VanDerWaalsContact C-N 3.31Å; L1049-I1051 PolarHBondContact O-N 3.07Å; I1051-T1053 VanDerWaalsContact C-N 3.28Å; I1051-T1053 PolarHBondContact O-N 3.48Å; I1051-T1054 WeakPolarHBondContact CA-OG1 3.32Å; I1051-T1054 PolarHBondContact O-N 3.33Å; I1051-T1054 PolarHBondContact O-OG1 3.21Å; I1051-T1054 VanDerWaalsContact O-OG1 3.09Å; I1051-T1055 WeakPolarHBondContact O-CG2 3.25Å; I1051-T1055 PolarHBondContact O-N 2.76Å; I1051-T1055 PolarHBondContact O-OG1 3.32Å
1052	S	41.3	Very low	43.6	Very low	32 Å²	32	95.1 Å²	95.1	22%	0.224	51%	0.508	C	S	.	.	H	α-helix	trans	-68.2	-21.7	179.5	72	0	0	0	0	114.8	E1048 L1049 L1050 T1056	E1048-S1052 WeakPolarHBondContact O-CB 3.43Å; E1048-S1052 PolarHBondContact O-N 3.41Å; E1048-S1052 PolarHBondContact O-OG 2.94Å; L1049-S1052 WeakPolarHBondContact CA-OG 3.47Å; L1049-S1052 CarbonylContact O-C 3.49Å; L1049-S1052 PolarHBondContact O-N 2.89Å; L1049-S1052 PolarHBondContact O-OG 2.84Å; L1050-S1052 VanDerWaalsContact C-N 3.34Å; L1050-S1052 PolarHBondContact O-N 3.43Å; S1052-T1056 PolarHBondContact O-OG1 2.94Å
1053	T	37.3	Very low	42.4	Very low	71 Å²	71	103.4 Å²	103.4	44%	0.436	54%	0.543	S	S	.	.	H	α-helix	trans	-89.2	-34.2	174.9	49	0	0	0	0	112.6	L1049 L1050 I1051 T1055 T1056	L1049-T1053 PolarHBondContact O-N 2.81Å; L1049-T1053 PolarHBondContact O-OG1 2.91Å; L1049-T1053 VanDerWaalsContact O-OG1 3.13Å; L1050-T1053 WeakPolarHBondContact CA-OG1 3.42Å; L1050-T1053 PolarHBondContact O-N 3.07Å; L1050-T1053 VanDerWaalsContact O-N 3.14Å; L1050-T1053 PolarHBondContact O-OG1 3.2Å; I1051-T1053 VanDerWaalsContact C-N 3.28Å; I1051-T1053 PolarHBondContact O-N 3.48Å; T1053-T1055 VanDerWaalsContact C-N 3.26Å; T1053-T1055 PolarHBondContact O-N 3.32Å; T1053-T1056 PolarHBondContact O-N 2.94Å
1054	T	36.7	Very low	41.3	Very low	94 Å²	94	103.7 Å²	103.7	58%	0.577	55%	0.554	S	S	*	*	H	α-helix	trans	-73.9	-16.1	177.5	49.8	0	0	0	0	113.5	L1050 I1051	L1050-T1054 WeakPolarHBondContact O-CG2 3.21Å; L1050-T1054 PolarHBondContact O-N 3.25Å; L1050-T1054 PolarHBondContact O-OG1 3.19Å; I1051-T1054 WeakPolarHBondContact CA-OG1 3.32Å; I1051-T1054 PolarHBondContact O-N 3.33Å; I1051-T1054 PolarHBondContact O-OG1 3.21Å; I1051-T1054 VanDerWaalsContact O-OG1 3.09Å
1055	T	39.4	Very low	40.2	Very low	104 Å²	104	105.9 Å²	105.9	64%	0.638	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.4	1.7	176	50.5	0	0	0	0	114.1	I1051 T1053	I1051-T1055 WeakPolarHBondContact O-CG2 3.25Å; I1051-T1055 PolarHBondContact O-N 2.76Å; I1051-T1055 PolarHBondContact O-OG1 3.32Å; T1053-T1055 VanDerWaalsContact C-N 3.26Å; T1053-T1055 PolarHBondContact O-N 3.32Å
1056	T	34.9	Very low	39.1	Very low	103 Å²	103	113.1 Å²	113.1	63%	0.632	59%	0.594	S	S	*	*	S	Bend	trans	-133.8	17.9	-173.4	66	0	0	0	0	115.5	S1052 T1053	S1052-T1056 PolarHBondContact O-OG1 2.94Å; T1053-T1056 PolarHBondContact O-N 2.94Å
1057	T	30.5	Very low	38	Very low	104 Å²	104	113 Å²	113	64%	0.638	60%	0.599	S	S	*	*			trans	-145.8	89.4	168.5	52.9	0	0	0	0	111.5
1058	N	29.5	Very low	36.8	Very low	161 Å²	161	112.7 Å²	112.7	86%	0.861	60%	0.601	S	S	*	*			trans	-93.4	93.8	145.8	-78.6	-9	0	0	0	106
1059	D	34	Very low	35.8	Very low	158 Å²	158	112.8 Å²	112.8	85%	0.845	60%	0.604	S	S	*	*	S	Bend	trans	-176.2	128	160.3	-92.7	-29.7	0	0	0	107
1060	D	29.5	Very low	35	Very low	169 Å²	169	115.9 Å²	115.9	90%	0.904	62%	0.62	S	S	*	*			trans	-86.3	109.4	-177.4	-75.6	-63.1	0	0	0	111.2
1061	D	34.4	Very low	34.6	Very low	140 Å²	140	117.8 Å²	117.8	75%	0.749	63%	0.626	S	S	*	*			trans	-158.6	160.3	139.6	-126.9	-32.2	0	0	0	116.6
1062	Q	29.3	Very low	33.8	Very low	167 Å²	167	116.4 Å²	116.4	78%	0.78	62%	0.624	S	S	*	*			trans	-42.4	118.9	-171.9	-63.2	150.6	67.9	0	0	118.2
1063	F	31.5	Very low	33.6	Very low	190 Å²	190	118.4 Å²	118.4	83%	0.833	63%	0.632	S	S	*	*			trans	-145.8	139.8	149.6	-115.2	-86.8	0	0	0	113	D1065	F1063-D1065 PolarHBondContact O-N 2.82Å
1064	N	32	Very low	33.5	Very low	144 Å²	144	119.9 Å²	119.9	77%	0.77	64%	0.637	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.4	-3.3	-160.5	-105.4	-38.8	0	0	0	116.9	K1066 S1067	N1064-K1066 VanDerWaalsContact C-N 3.26Å; N1064-K1066 PolarHBondContact O-N 3.31Å; N1064-K1066 VanDerWaalsContact O-N 3.16Å; N1064-S1067 PolarHBondContact O-N 3.02Å; N1064-S1067 PolarHBondContact O-OG 2.98Å
1065	D	38.6	Very low	33.5	Very low	107 Å²	107	122.6 Å²	122.6	57%	0.572	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.4	-13.8	-168.8	-76.9	-43.4	0	0	0	115.6	F1063 S1067 I1068 L1069	F1063-D1065 PolarHBondContact O-N 2.82Å; D1065-S1067 PolarHBondContact O-N 3.12Å; D1065-S1067 VanDerWaalsContact O-N 3.09Å; D1065-I1068 PolarHBondContact O-N 3.12Å; D1065-L1069 PolarHBondContact O-N 2.84Å
1066	K	32.5	Very low	33.4	Very low	167 Å²	167	121.5 Å²	121.5	73%	0.726	63%	0.634	S	S	*	*	H	α-helix	trans	-55.9	-26.9	173.5	-70.9	-179.9	-179.8	172.5	0	112.2	N1064 N1070	N1064-K1066 VanDerWaalsContact C-N 3.26Å; N1064-K1066 PolarHBondContact O-N 3.31Å; N1064-K1066 VanDerWaalsContact O-N 3.16Å; K1066-N1070 VanDerWaalsContact O-CB 3.31Å; K1066-N1070 WeakPolarHBondContact O-CB 3.38Å; K1066-N1070 PolarHBondContact O-N 2.84Å; K1066-N1070 PolarHBondContact O-ND2 3.48Å
1067	S	31.5	Very low	33.4	Very low	66 Å²	66	122 Å²	122	46%	0.462	63%	0.633	S	S	.	*	H	α-helix	trans	-65.1	-50.1	177.7	58.4	0	0	0	0	113.6	N1064 D1065 N1070 Q1071	N1064-S1067 PolarHBondContact O-N 3.02Å; N1064-S1067 PolarHBondContact O-OG 2.98Å; D1065-S1067 PolarHBondContact O-N 3.12Å; D1065-S1067 VanDerWaalsContact O-N 3.09Å; S1067-N1070 PolarHBondContact O-N 3.39Å; S1067-Q1071 PolarHBondContact O-N 2.82Å; S1067-Q1071 VanDerWaalsContact O-N 3.08Å
1068	I	34.2	Very low	33.5	Very low	108 Å²	108	124.1 Å²	124.1	55%	0.554	64%	0.64	S	S	*	*	H	α-helix	trans	-71	-35.3	179.8	-59	174.2	0	0	0	110.4	D1065 Q1071 S1072	D1065-I1068 PolarHBondContact O-N 3.12Å; I1068-Q1071 PolarHBondContact O-N 2.84Å; I1068-S1072 PolarHBondContact O-N 2.83Å; I1068-S1072 VanDerWaalsContact O-N 3.13Å; I1068-S1072 PolarHBondContact O-OG 2.68Å
1069	L	33.2	Very low	33.7	Very low	78 Å²	78	123.2 Å²	123.2	41%	0.408	64%	0.636	S	S	.	*	H	α-helix	trans	-64.3	-42.4	173.9	-152.7	75.8	0	0	0	111.5	D1065 S1072 L1073	D1065-L1069 PolarHBondContact O-N 2.84Å; L1069-S1072 PolarHBondContact O-N 2.86Å; L1069-S1072 PolarHBondContact O-OG 2.86Å; L1069-L1073 HydrophobicContact CG-CD1 4.32Å; L1069-L1073 WeakPolarHBondContact O-CB 3.22Å; L1069-L1073 WeakPolarHBondContact O-CG 3.42Å; L1069-L1073 PolarHBondContact O-N 3.28Å
1070	N	33.6	Very low	33.6	Very low	87 Å²	87	123.1 Å²	123.1	47%	0.465	64%	0.635	S	S	.	*	H	α-helix	trans	-67.4	-36.6	176.3	-75.9	-12.7	0	0	0	112.9	K1066 S1067 S1072 L1073 N1074	K1066-N1070 VanDerWaalsContact O-CB 3.31Å; K1066-N1070 WeakPolarHBondContact O-CB 3.38Å; K1066-N1070 PolarHBondContact O-N 2.84Å; K1066-N1070 PolarHBondContact O-ND2 3.48Å; S1067-N1070 PolarHBondContact O-N 3.39Å; N1070-S1072 VanDerWaalsContact C-N 3.32Å; N1070-S1072 PolarHBondContact O-N 3.48Å; N1070-L1073 PolarHBondContact O-N 2.79Å; N1070-N1074 WeakPolarHBondContact O-CB 3.42Å; N1070-N1074 PolarHBondContact O-N 3.5Å; N1070-N1074 PolarHBondContact O-ND2 3.09Å
1071	Q	32	Very low	33.6	Very low	140 Å²	140	123.2 Å²	123.2	65%	0.654	63%	0.63	S	S	*	*	H	α-helix	trans	-62.2	-39.5	173	-75.4	-175.4	-8.5	0	0	112.4	S1067 I1068	S1067-Q1071 PolarHBondContact O-N 2.82Å; S1067-Q1071 VanDerWaalsContact O-N 3.08Å; I1068-Q1071 PolarHBondContact O-N 2.84Å
1072	S	34.6	Very low	33.5	Very low	54 Å²	54	124.7 Å²	124.7	38%	0.378	64%	0.635	S	S	.	*	H	α-helix	trans	-76.3	-29.7	177.6	47	0	0	0	0	113.4	I1068 L1069 N1070 F1076	I1068-S1072 PolarHBondContact O-N 2.83Å; I1068-S1072 VanDerWaalsContact O-N 3.13Å; I1068-S1072 PolarHBondContact O-OG 2.68Å; L1069-S1072 PolarHBondContact O-N 2.86Å; L1069-S1072 PolarHBondContact O-OG 2.86Å; N1070-S1072 VanDerWaalsContact C-N 3.32Å; N1070-S1072 PolarHBondContact O-N 3.48Å; S1072-F1076 WeakPolarHBondContact O-CD2 3.47Å; S1072-F1076 WeakPolarHBondContact O-CE2 3.23Å
1073	L	36.7	Very low	33.5	Very low	74 Å²	74	123.7 Å²	123.7	39%	0.387	64%	0.636	S	S	.	*	H	α-helix	trans	-72.4	-40.6	171.9	-75.6	166.4	0	0	0	113.1	L1069 N1070 L1075 F1076	L1069-L1073 HydrophobicContact CG-CD1 4.32Å; L1069-L1073 WeakPolarHBondContact O-CB 3.22Å; L1069-L1073 WeakPolarHBondContact O-CG 3.42Å; L1069-L1073 PolarHBondContact O-N 3.28Å; N1070-L1073 PolarHBondContact O-N 2.79Å; L1073-L1075 PolarHBondContact O-N 3.5Å; L1073-F1076 WeakPolarHBondContact O-CB 3.44Å; L1073-F1076 PolarHBondContact O-N 2.84Å
1074	N	35.4	Very low	33.5	Very low	103 Å²	103	118.1 Å²	118.1	55%	0.551	63%	0.632	S	S	*	*	H	α-helix	trans	-63.8	-24.2	179.4	-74.8	-14.8	0	0	0	113	N1070 F1076	N1070-N1074 WeakPolarHBondContact O-CB 3.42Å; N1070-N1074 PolarHBondContact O-N 3.5Å; N1070-N1074 PolarHBondContact O-ND2 3.09Å; N1074-F1076 PolarHBondContact O-N 2.93Å
1075	L	36	Very low	33.5	Very low	151 Å²	151	118.5 Å²	118.5	79%	0.791	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.3	-7.6	171.4	-72.8	168.2	0	0	0	114.1	L1073	L1073-L1075 PolarHBondContact O-N 3.5Å
1076	F	36.8	Very low	33.2	Very low	80 Å²	80	117 Å²	117	35%	0.351	64%	0.644	S	S	.	*	T	Hydrogen-bonded Turn	trans	-106.7	-18.1	178.5	-70	-64	0	0	0	115.1	W1007 K1039 S1072 L1073 N1074	W1007-F1076 HydrophobicContact CH2-CZ 4.04Å; K1039-F1076 HydrophobicContact CD-CE1 4.26Å; K1039-F1076 HydrophobicContact CG-CE1 4.23Å; S1072-F1076 WeakPolarHBondContact O-CD2 3.47Å; S1072-F1076 WeakPolarHBondContact O-CE2 3.23Å; L1073-F1076 WeakPolarHBondContact O-CB 3.44Å; L1073-F1076 PolarHBondContact O-N 2.84Å; N1074-F1076 PolarHBondContact O-N 2.93Å
1077	N	36.1	Very low	33.3	Very low	113 Å²	113	116.3 Å²	116.3	60%	0.604	65%	0.648	S	S	*	*	S	Bend	trans	-98.4	-5	-163.7	-71.9	-9.5	0	0	0	116.2	D1079	N1077-D1079 VanDerWaalsContact C-N 3.33Å; N1077-D1079 PolarHBondContact O-N 3.32Å
1078	N	31.6	Very low	33.4	Very low	150 Å²	150	116.6 Å²	116.6	80%	0.802	66%	0.662	S	S	*	*			trans	-83.7	13.9	-169.4	-81.5	-2.3	0	0	0	116.4
1079	D	34.9	Very low	33.4	Very low	142 Å²	142	119.1 Å²	119.1	76%	0.759	68%	0.676	S	S	*	*	S	Bend	trans	-129.9	90	-178.1	-86.3	-57.7	0	0	0	113.6	N1077	N1077-D1079 VanDerWaalsContact C-N 3.33Å; N1077-D1079 PolarHBondContact O-N 3.32Å
1080	N	32.3	Very low	33.5	Very low	155 Å²	155	121.5 Å²	121.5	83%	0.829	69%	0.689	S	S	*	*			trans	76.1	136.1	156.3	-59.4	-75.6	0	0	0	120.9
1081	H	28.9	Very low	33.5	Very low	172 Å²	172	124.5 Å²	124.5	80%	0.796	71%	0.705	S	S	*	*			trans	-83.8	147.8	179.9	-64	-103	0	0	0	114.2
1082	I	32.6	Very low	33.5	Very low	170 Å²	170	121.2 Å²	121.2	87%	0.872	71%	0.71	S	S	*	*			trans	-143	132.7	134.8	-58.6	-174.2	0	0	0	107.7
1083	N	29	Very low	33.4	Very low	146 Å²	146	126.1 Å²	126.1	78%	0.781	73%	0.732	S	S	*	*			trans	-114.2	155.9	176.2	-84.1	6.3	0	0	0	111.5
1084	G	31.3	Very low	33.1	Very low	73 Å²	73	130 Å²	130	75%	0.753	75%	0.752	S	S	*	*			trans	174.1	103	168.3	0	0	0	0	0	112.4
1085	N	32	Very low	33.1	Very low	152 Å²	152	127.9 Å²	127.9	81%	0.813	76%	0.755	S	S	*	*			trans	-97	161.9	177.6	-71.2	25.2	0	0	0	111.5
1086	G	31.1	Very low	32.9	Very low	76 Å²	76	128 Å²	128	78%	0.784	76%	0.757	S	S	*	*			trans	-175.5	93.9	171.8	0	0	0	0	0	110.3
1087	D	34.8	Very low	32.9	Very low	152 Å²	152	130.6 Å²	130.6	81%	0.813	77%	0.774	S	S	*	*			trans	-90.9	162	-175.2	-49.2	-67.4	0	0	0	111.9
1088	G	33.9	Very low	32.8	Very low	73 Å²	73	131.2 Å²	131.2	75%	0.753	78%	0.778	S	S	*	*			trans	162.9	95.2	178.3	0	0	0	0	0	113.5
1089	D	34.1	Very low	32.9	Very low	161 Å²	161	130.9 Å²	130.9	86%	0.861	77%	0.771	S	S	*	*			trans	-79.1	160.8	-173.4	-45.8	-84.1	0	0	0	114.1
1090	D	35.3	Very low	33.2	Very low	127 Å²	127	128.3 Å²	128.3	68%	0.679	76%	0.757	S	S	*	*			trans	-171.2	143.4	135.4	-167.5	27.6	0	0	0	111.4	K1186	D1090-K1186 PolarHBondContact O-NZ 3.15Å; D1090-K1186 IonicContact OD2-NZ 3.52Å
1091	D	33.5	Very low	33.7	Very low	150 Å²	150	125.8 Å²	125.8	80%	0.802	74%	0.744	S	S	*	*			trans	-59.1	165.4	-160.3	-68.6	-35.4	0	0	0	118.7	K1186	D1091-K1186 PolarHBondContact O-NZ 2.62Å
1092	G	31.9	Very low	34.2	Very low	72 Å²	72	121 Å²	121	74%	0.742	73%	0.73	S	S	*	*			trans	140.4	102.8	138.9	0	0	0	0	0	121
1093	D	32.9	Very low	34.9	Very low	157 Å²	157	114.9 Å²	114.9	84%	0.84	70%	0.698	S	S	*	*			trans	84	150.2	135.6	-145.4	15.3	0	0	0	123.2
1094	D	30.6	Very low	36.3	Very low	154 Å²	154	112.5 Å²	112.5	82%	0.824	69%	0.685	S	S	*	*			trans	-7.3	128.3	-179.1	-87.2	-16.5	0	0	0	122.1
1095	G	35.4	Very low	37.6	Very low	60 Å²	60	113.9 Å²	113.9	62%	0.619	68%	0.675	S	S	*	*			trans	-155.3	7.2	174.7	0	0	0	0	0	118.7	N1097 D1098	G1095-N1097 PolarHBondContact O-N 2.76Å; G1095-D1098 PolarHBondContact O-N 3.36Å
1096	D	31.9	Very low	39.2	Very low	153 Å²	153	107.6 Å²	107.6	82%	0.818	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.6	19.3	-156.2	-135.1	15.8	0	0	0	117.3
1097	N	36.3	Very low	40.9	Very low	135 Å²	135	105.5 Å²	105.5	72%	0.722	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-122.2	-10.6	179.6	-88.6	-98.8	0	0	0	115.1	G1095 N1101	G1095-N1097 PolarHBondContact O-N 2.76Å; N1097-N1101 PolarHBondContact O-ND2 3.08Å
1098	D	34.5	Very low	42.5	Very low	126 Å²	126	100.3 Å²	100.3	67%	0.674	59%	0.585	S	S	*	*	H	α-helix	trans	-88.2	-22	178.6	-87.8	-25.8	0	0	0	113.5	G1095 D1100 N1101 S1102	G1095-D1098 PolarHBondContact O-N 3.36Å; D1098-D1100 PolarHBondContact O-N 3.07Å; D1098-N1101 PolarHBondContact O-N 2.81Å; D1098-S1102 WeakPolarHBondContact O-CB 3.3Å; D1098-S1102 PolarHBondContact O-N 3.08Å
1099	H	34.4	Very low	44.1	Very low	143 Å²	143	102.2 Å²	102.2	66%	0.662	57%	0.574	S	S	*	*	H	α-helix	trans	-59.4	-42.6	177.5	-111.4	-60.5	0	0	0	113	S1102 M1103	H1099-S1102 PolarHBondContact O-N 2.84Å; H1099-M1103 WeakPolarHBondContact O-CB 3.49Å; H1099-M1103 PolarHBondContact O-N 3.08Å
1100	D	40.4	Very low	45.7	Very low	87 Å²	87	95.7 Å²	95.7	47%	0.465	54%	0.539	S	S	.	.	H	α-helix	trans	-77.7	-24.7	-177.3	-139.1	29.3	0	0	0	112.3	K992 D1098 N1104	K992-D1100 IonicContact NZ-OD1 2.74Å; K992-D1100 PolarHBondContact NZ-OD1 3.46Å; D1098-D1100 PolarHBondContact O-N 3.07Å; D1100-N1104 PolarHBondContact O-N 3.03Å; D1100-N1104 PolarHBondContact O-ND2 2.63Å
1101	N	41.9	Very low	47.5	Very low	103 Å²	103	90.2 Å²	90.2	55%	0.551	51%	0.511	S	S	*	.	H	α-helix	trans	-69.3	-47.8	168.3	-75	-70.3	0	0	0	110.9	N1097 D1098 M1103 N1104 D1105	N1097-N1101 PolarHBondContact O-ND2 3.08Å; D1098-N1101 PolarHBondContact O-N 2.81Å; N1101-M1103 PolarHBondContact O-N 2.94Å; N1101-N1104 PolarHBondContact O-N 3.14Å; N1101-D1105 PolarHBondContact O-N 3.39Å; N1101-D1105 VanDerWaalsContact O-N 3.14Å
1102	S	41	Very low	49.3	Very low	71 Å²	71	86.9 Å²	86.9	50%	0.497	49%	0.49	S	S	.	.	H	α-helix	trans	-55.4	-48.7	176.1	-175.8	0	0	0	0	111.9	D1098 H1099 N1104 D1105 S1106	D1098-S1102 WeakPolarHBondContact O-CB 3.3Å; D1098-S1102 PolarHBondContact O-N 3.08Å; H1099-S1102 PolarHBondContact O-N 2.84Å; S1102-N1104 VanDerWaalsContact C-N 3.35Å; S1102-N1104 PolarHBondContact O-N 3.31Å; S1102-D1105 PolarHBondContact O-N 2.74Å; S1102-D1105 VanDerWaalsContact O-N 3.15Å; S1102-S1106 PolarHBondContact O-N 2.76Å
1103	M	47.6	Very low	51	Low	41 Å²	41	84.6 Å²	84.6	20%	0.202	46%	0.461	C	S	.	.	H	α-helix	trans	-69.5	-28.7	-177.3	-155.2	176.2	-163.3	0	0	113.5	K992 I996 H1099 N1101 S1106 L1107	K992-M1103 WeakPolarHBondContact CE-SD 3.04Å; I996-M1103 HydrophobicContact CD1-CE 4.01Å; H1099-M1103 WeakPolarHBondContact O-CB 3.49Å; H1099-M1103 PolarHBondContact O-N 3.08Å; N1101-M1103 PolarHBondContact O-N 2.94Å; M1103-S1106 PolarHBondContact O-N 3.34Å; M1103-L1107 PolarHBondContact O-N 2.95Å
1104	N	56.6	Low	52.9	Low	96 Å²	96	77.1 Å²	77.1	51%	0.513	42%	0.421	S	S	.	.	H	α-helix	trans	-68.4	-39.8	170.6	-87.6	-76.3	0	0	0	112	D1100 N1101 S1102 S1106 L1107 E1108	D1100-N1104 PolarHBondContact O-N 3.03Å; D1100-N1104 PolarHBondContact O-ND2 2.63Å; N1101-N1104 PolarHBondContact O-N 3.14Å; S1102-N1104 VanDerWaalsContact C-N 3.35Å; S1102-N1104 PolarHBondContact O-N 3.31Å; N1104-S1106 VanDerWaalsContact C-N 3.35Å; N1104-L1107 PolarHBondContact O-N 3.4Å; N1104-E1108 PolarHBondContact O-N 3.35Å
1105	D	60.1	Low	54.9	Low	102 Å²	102	71.4 Å²	71.4	55%	0.545	39%	0.39	S	S	.	.	H	α-helix	trans	-67	-33.8	172.6	-90	-15.3	0	0	0	111.7	N1101 S1102 Q1109	N1101-D1105 PolarHBondContact O-N 3.39Å; N1101-D1105 VanDerWaalsContact O-N 3.14Å; S1102-D1105 PolarHBondContact O-N 2.74Å; S1102-D1105 VanDerWaalsContact O-N 3.15Å; D1105-Q1109 WeakPolarHBondContact O-CB 3.19Å; D1105-Q1109 WeakPolarHBondContact O-CG 3.08Å; D1105-Q1109 PolarHBondContact O-N 2.67Å; D1105-Q1109 PolarHBondContact O-NE2 3.02Å
1106	S	65.4	Low	56.4	Low	21 Å²	21	76.1 Å²	76.1	15%	0.147	39%	0.39	C	S	.	.	H	α-helix	trans	-62.3	-46.6	169	-78.2	0	0	0	0	112.1	E1048 S1102 M1103 N1104 E1108 Q1109 L1110	E1048-S1106 PolarHBondContact OE1-OG 2.85Å; E1048-S1106 WeakPolarHBondContact OE2-CB 3.45Å; E1048-S1106 PolarHBondContact OE2-OG 3.41Å; S1102-S1106 PolarHBondContact O-N 2.76Å; M1103-S1106 PolarHBondContact O-N 3.34Å; N1104-S1106 VanDerWaalsContact C-N 3.35Å; S1106-E1108 PolarHBondContact O-N 3.37Å; S1106-Q1109 PolarHBondContact O-N 3.35Å; S1106-Q1109 VanDerWaalsContact O-N 3.16Å; S1106-L1110 VanDerWaalsContact O-CB 3.3Å; S1106-L1110 WeakPolarHBondContact O-CB 3.46Å; S1106-L1110 PolarHBondContact O-N 3.24Å
1107	L	66.5	Low	58.1	Low	32 Å²	32	69.7 Å²	69.7	17%	0.168	36%	0.355	C	S	.	.	H	α-helix	trans	-63.2	-39	177.7	-76.4	173.7	0	0	0	112.8	I996 M1103 N1104 L1110 A1111	I996-L1107 HydrophobicContact CG1-CD2 4.07Å; M1103-L1107 PolarHBondContact O-N 2.95Å; N1104-L1107 PolarHBondContact O-N 3.4Å; L1107-L1110 HydrophobicContact CD2-CD2 4.48Å; L1107-L1110 PolarHBondContact O-N 2.89Å; L1107-A1111 WeakPolarHBondContact O-CB 3.43Å; L1107-A1111 PolarHBondContact O-N 3.13Å
1108	E	67.8	Low	59.6	Low	43 Å²	43	64.8 Å²	64.8	20%	0.201	33%	0.328	C	S	.	.	H	α-helix	trans	-66.5	-38.3	172.9	168.2	164.5	140.6	0	0	111.7	Q893 N1104 S1106 K1112	Q893-E1108 HydrophobicContact CB-CG 3.82Å; Q893-E1108 PolarHBondContact NE2-OE1 2.97Å; Q893-E1108 PolarHBondContact NE2-OE2 3.25Å; N1104-E1108 PolarHBondContact O-N 3.35Å; S1106-E1108 PolarHBondContact O-N 3.37Å; E1108-K1112 HydrophobicContact CG-CD 4.21Å; E1108-K1112 VanDerWaalsContact CG-CE 3.41Å; E1108-K1112 VanDerWaalsContact CG-NZ 3.32Å; E1108-K1112 WeakPolarHBondContact O-CD 3.32Å; E1108-K1112 VanDerWaalsContact O-CG 3.24Å; E1108-K1112 WeakPolarHBondContact O-CG 3.15Å; E1108-K1112 PolarHBondContact O-N 3.04Å; E1108-K1112 WeakPolarHBondContact OE1-CE 3.28Å; E1108-K1112 IonicContact OE1-NZ 3.59Å; E1108-K1112 PolarHBondContact OE1-NZ 3.41Å
1109	Q	67.7	Low	61.2	Low	112 Å²	112	64 Å²	64	52%	0.523	32%	0.318	S	S	.	.	H	α-helix	trans	-66	-38	173.8	-75.7	173	89.6	0	0	112.8	D1105 S1106 K1112 T1113	D1105-Q1109 WeakPolarHBondContact O-CB 3.19Å; D1105-Q1109 WeakPolarHBondContact O-CG 3.08Å; D1105-Q1109 PolarHBondContact O-N 2.67Å; D1105-Q1109 PolarHBondContact O-NE2 3.02Å; S1106-Q1109 PolarHBondContact O-N 3.35Å; S1106-Q1109 VanDerWaalsContact O-N 3.16Å; Q1109-K1112 PolarHBondContact O-N 3.35Å; Q1109-T1113 WeakPolarHBondContact O-CB 3.42Å; Q1109-T1113 PolarHBondContact O-N 2.62Å; Q1109-T1113 PolarHBondContact O-OG1 3.42Å
1110	L	69.1	Low	62.5	Low	25 Å²	25	58.3 Å²	58.3	13%	0.131	30%	0.295	C	S	.	.	H	α-helix	trans	-67.4	-42.2	177.6	-166.9	59.7	0	0	0	111.1	A999 L1003 T1045 S1106 L1107 T1113 I1114	A999-L1110 HydrophobicContact CB-CD2 3.4Å; A999-L1110 VanDerWaalsContact CB-CD2 3.4Å; A999-L1110 HydrophobicContact CB-CG 3.85Å; L1003-L1110 HydrophobicContact CD1-CD1 3.79Å; T1045-L1110 HydrophobicContact CG2-CD1 4.48Å; T1045-L1110 HydrophobicContact CG2-CD2 4.34Å; S1106-L1110 VanDerWaalsContact O-CB 3.3Å; S1106-L1110 WeakPolarHBondContact O-CB 3.46Å; S1106-L1110 PolarHBondContact O-N 3.24Å; L1107-L1110 HydrophobicContact CD2-CD2 4.48Å; L1107-L1110 PolarHBondContact O-N 2.89Å; L1110-T1113 WeakPolarHBondContact O-CB 3.46Å; L1110-T1113 PolarHBondContact O-N 2.95Å; L1110-I1114 WeakPolarHBondContact O-CG1 3.44Å; L1110-I1114 PolarHBondContact O-N 2.81Å
1111	A	71.9	Confident	63.5	Low	11 Å²	11	56 Å²	56	9%	0.091	28%	0.282	C	S	.	.	H	α-helix	trans	-63.9	-43.9	173.4	0	0	0	0	0	112.7	Q893 L895 L1107 T1113 I1114 H1115	Q893-A1111 VanDerWaalsContact O-CB 3.29Å; Q893-A1111 WeakPolarHBondContact O-CB 3.36Å; L895-A1111 HydrophobicContact CD2-CB 3.89Å; L895-A1111 HydrophobicContact CG-CB 4.09Å; L1107-A1111 WeakPolarHBondContact O-CB 3.43Å; L1107-A1111 PolarHBondContact O-N 3.13Å; A1111-T1113 VanDerWaalsContact C-N 3.3Å; A1111-T1113 PolarHBondContact O-N 3.47Å; A1111-I1114 PolarHBondContact O-N 3.4Å; A1111-H1115 PolarHBondContact O-N 2.96Å
1112	K	71.5	Confident	64.3	Low	81 Å²	81	54.1 Å²	54.1	35%	0.352	27%	0.27	S	S	.	.	H	α-helix	trans	-58.9	-41.1	172	-72.5	164.4	-172.9	160.5	0	111.9	E1108 Q1109 Y1116	E1108-K1112 HydrophobicContact CG-CD 4.21Å; E1108-K1112 VanDerWaalsContact CG-CE 3.41Å; E1108-K1112 VanDerWaalsContact CG-NZ 3.32Å; E1108-K1112 WeakPolarHBondContact O-CD 3.32Å; E1108-K1112 VanDerWaalsContact O-CG 3.24Å; E1108-K1112 WeakPolarHBondContact O-CG 3.15Å; E1108-K1112 PolarHBondContact O-N 3.04Å; E1108-K1112 WeakPolarHBondContact OE1-CE 3.28Å; E1108-K1112 IonicContact OE1-NZ 3.59Å; E1108-K1112 PolarHBondContact OE1-NZ 3.41Å; Q1109-K1112 PolarHBondContact O-N 3.35Å; K1112-Y1116 WeakPolarHBondContact O-CB 3.37Å; K1112-Y1116 PolarHBondContact O-N 2.93Å
1113	T	68.4	Low	64.8	Low	23 Å²	23	56.8 Å²	56.8	14%	0.141	27%	0.273	C	S	.	.	H	α-helix	trans	-64.4	-49.6	179.6	-65.3	0	0	0	0	111.2	Q1041 Q1109 L1110 A1111 H1115 Y1116 L1117	Q1041-T1113 PolarHBondContact NE2-OG1 2.83Å; Q1109-T1113 WeakPolarHBondContact O-CB 3.42Å; Q1109-T1113 PolarHBondContact O-N 2.62Å; Q1109-T1113 PolarHBondContact O-OG1 3.42Å; L1110-T1113 WeakPolarHBondContact O-CB 3.46Å; L1110-T1113 PolarHBondContact O-N 2.95Å; A1111-T1113 VanDerWaalsContact C-N 3.3Å; A1111-T1113 PolarHBondContact O-N 3.47Å; T1113-H1115 PolarHBondContact O-N 3.2Å; T1113-Y1116 PolarHBondContact O-N 2.98Å; T1113-L1117 HydrophobicContact CG2-CD1 3.92Å; T1113-L1117 HydrophobicContact CG2-CG 4.4Å; T1113-L1117 WeakPolarHBondContact O-CG 3.47Å; T1113-L1117 PolarHBondContact O-N 3.43Å
1114	I	72.6	Confident	64.7	Low	0 Å²	0	57.5 Å²	57.5	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-55.8	-49.5	175.7	-75.7	164.3	0	0	0	110.8	L895 A999 T1002 L1003 L1110 A1111 Y1116 L1117 E1118	L895-I1114 HydrophobicContact CD1-CD1 3.87Å; A999-I1114 HydrophobicContact CB-CD1 3.88Å; T1002-I1114 HydrophobicContact CG2-CD1 4.24Å; T1002-I1114 HydrophobicContact CG2-CG1 4.23Å; T1002-I1114 HydrophobicContact CG2-CG2 3.56Å; L1003-I1114 HydrophobicContact CD2-CG1 3.79Å; L1003-I1114 HydrophobicContact CG-CD1 4.43Å; L1003-I1114 HydrophobicContact CG-CG1 4.09Å; L1110-I1114 WeakPolarHBondContact O-CG1 3.44Å; L1110-I1114 PolarHBondContact O-N 2.81Å; A1111-I1114 PolarHBondContact O-N 3.4Å; I1114-Y1116 VanDerWaalsContact C-N 3.35Å; I1114-Y1116 PolarHBondContact O-N 2.96Å; I1114-L1117 PolarHBondContact O-N 2.87Å; I1114-E1118 WeakPolarHBondContact O-CG 3.49Å; I1114-E1118 PolarHBondContact O-N 3.08Å
1115	H	71.4	Confident	64.1	Low	35 Å²	35	56 Å²	56	16%	0.162	27%	0.27	C	S	.	.	H	α-helix	trans	-60.5	-41.9	177.1	179.2	87.4	0	0	0	112.8	D879 L881 A1111 T1113 K1119	D879-H1115 VanDerWaalsContact CG-ND1 3.26Å; D879-H1115 IonicContact OD1-CE1 2.82Å; D879-H1115 PolarHBondContact OD1-CE1 2.7Å; D879-H1115 IonicContact OD1-ND1 2.65Å; D879-H1115 PolarHBondContact OD1-ND1 3.34Å; D879-H1115 IonicContact OD2-CE1 3.36Å; D879-H1115 IonicContact OD2-CG 3.52Å; D879-H1115 IonicContact OD2-ND1 3.95Å; D879-H1115 PolarHBondContact OD2-ND1 3.41Å; L881-H1115 HydrophobicContact CD1-CB 3.93Å; A1111-H1115 PolarHBondContact O-N 2.96Å; T1113-H1115 PolarHBondContact O-N 3.2Å; H1115-K1119 VanDerWaalsContact O-CB 3.25Å; H1115-K1119 WeakPolarHBondContact O-CB 3.19Å; H1115-K1119 PolarHBondContact O-N 3.15Å; H1115-K1119 VanDerWaalsContact O-N 3.11Å
1116	Y	68	Low	63.1	Low	159 Å²	159	52.6 Å²	52.6	62%	0.624	25%	0.253	S	S	*	.	H	α-helix	trans	-63.2	-45.5	177.5	177.2	-98	0	0	0	111.2	K1112 T1113 I1114 S1120	K1112-Y1116 WeakPolarHBondContact O-CB 3.37Å; K1112-Y1116 PolarHBondContact O-N 2.93Å; T1113-Y1116 PolarHBondContact O-N 2.98Å; I1114-Y1116 VanDerWaalsContact C-N 3.35Å; I1114-Y1116 PolarHBondContact O-N 2.96Å; Y1116-S1120 VanDerWaalsContact O-CB 3.28Å; Y1116-S1120 WeakPolarHBondContact O-CB 3.3Å; Y1116-S1120 PolarHBondContact O-N 3.12Å; Y1116-S1120 PolarHBondContact O-OG 3.44Å
1117	L	67	Low	61.5	Low	18 Å²	18	56.5 Å²	56.5	9%	0.094	27%	0.269	C	S	.	.	H	α-helix	trans	-64.7	-48.9	179.2	-70	172.9	0	0	0	111.6	L1003 L1006 I1038 T1113 I1114 K1119 S1120 I1121	L1003-L1117 HydrophobicContact CD2-CD1 3.7Å; L1006-L1117 HydrophobicContact CD1-CB 4.05Å; I1038-L1117 HydrophobicContact CD1-CD2 3.91Å; I1038-L1117 HydrophobicContact CG1-CD1 4.33Å; I1038-L1117 HydrophobicContact CG1-CD2 3.82Å; T1113-L1117 HydrophobicContact CG2-CD1 3.92Å; T1113-L1117 HydrophobicContact CG2-CG 4.4Å; T1113-L1117 WeakPolarHBondContact O-CG 3.47Å; T1113-L1117 PolarHBondContact O-N 3.43Å; I1114-L1117 PolarHBondContact O-N 2.87Å; L1117-K1119 VanDerWaalsContact C-N 3.34Å; L1117-K1119 PolarHBondContact O-N 3.48Å; L1117-S1120 PolarHBondContact O-N 2.78Å; L1117-I1121 WeakPolarHBondContact O-CD1 3.34Å; L1117-I1121 VanDerWaalsContact O-CG1 3.25Å; L1117-I1121 WeakPolarHBondContact O-CG1 3.37Å; L1117-I1121 PolarHBondContact O-N 3.02Å
1118	E	68.9	Low	59.9	Low	32 Å²	32	61.3 Å²	61.3	15%	0.15	29%	0.289	C	S	.	.	H	α-helix	trans	-51.6	-53.3	175.6	-77.5	178.6	150.6	0	0	111.5	R898 L1006 I1114 I1121 E1122	R898-E1118 IonicContact CZ-OE1 2.71Å; R898-E1118 IonicContact CZ-OE2 2.92Å; R898-E1118 VanDerWaalsContact NH1-CD 3.3Å; R898-E1118 IonicContact NH1-OE1 3.46Å; R898-E1118 PolarHBondContact NH1-OE1 3.18Å; R898-E1118 IonicContact NH1-OE2 2.71Å; R898-E1118 PolarHBondContact NH1-OE2 2.86Å; R898-E1118 IonicContact NH2-OE1 3.44Å; R898-E1118 IonicContact NH2-OE2 3.63Å; R898-E1118 PolarHBondContact NH2-OE2 2.89Å; L1006-E1118 HydrophobicContact CD1-CG 4.18Å; L1006-E1118 HydrophobicContact CD2-CG 3.85Å; I1114-E1118 WeakPolarHBondContact O-CG 3.49Å; I1114-E1118 PolarHBondContact O-N 3.08Å; E1118-I1121 PolarHBondContact O-N 2.99Å; E1118-E1122 PolarHBondContact O-N 2.83Å; E1118-E1122 VanDerWaalsContact O-N 3.14Å
1119	K	67	Low	58.3	Low	108 Å²	108	62.3 Å²	62.3	47%	0.47	30%	0.296	S	S	.	.	H	α-helix	trans	-65.2	-38.6	-179.3	-176	-176	175.1	-169	0	113	H1115 L1117 I1121 E1122 F1123	H1115-K1119 VanDerWaalsContact O-CB 3.25Å; H1115-K1119 WeakPolarHBondContact O-CB 3.19Å; H1115-K1119 PolarHBondContact O-N 3.15Å; H1115-K1119 VanDerWaalsContact O-N 3.11Å; L1117-K1119 VanDerWaalsContact C-N 3.34Å; L1117-K1119 PolarHBondContact O-N 3.48Å; K1119-I1121 VanDerWaalsContact C-N 3.34Å; K1119-E1122 PolarHBondContact O-N 2.91Å; K1119-F1123 WeakPolarHBondContact O-CD2 3.19Å; K1119-F1123 PolarHBondContact O-N 3.19Å
1120	S	62	Low	56.6	Low	24 Å²	24	61 Å²	61	17%	0.168	29%	0.292	C	S	.	.	H	α-helix	trans	-65.5	-40.7	-179.8	-59.1	0	0	0	0	110.9	Y1116 L1117 F1123 H1124	Y1116-S1120 VanDerWaalsContact O-CB 3.28Å; Y1116-S1120 WeakPolarHBondContact O-CB 3.3Å; Y1116-S1120 PolarHBondContact O-N 3.12Å; Y1116-S1120 PolarHBondContact O-OG 3.44Å; L1117-S1120 PolarHBondContact O-N 2.78Å; S1120-F1123 WeakPolarHBondContact O-CB 3.14Å; S1120-F1123 PolarHBondContact O-N 2.99Å; S1120-H1124 PolarHBondContact O-CD2 3.16Å; S1120-H1124 PolarHBondContact O-N 3.39Å
1121	I	62.5	Low	54.9	Low	38 Å²	38	66 Å²	66	20%	0.195	32%	0.319	C	S	.	.	H	α-helix	trans	-80.4	-19.1	-178.2	-42.4	154	0	0	0	111.8	L1006 K1010 L1117 E1118 K1119 F1123 T1125	L1006-I1121 HydrophobicContact CD2-CD1 4.26Å; K1010-I1121 HydrophobicContact CB-CG2 4.42Å; K1010-I1121 HydrophobicContact CD-CB 4.04Å; K1010-I1121 HydrophobicContact CD-CD1 4.13Å; K1010-I1121 HydrophobicContact CD-CG2 3.31Å; K1010-I1121 HydrophobicContact CG-CG2 4.48Å; L1117-I1121 WeakPolarHBondContact O-CD1 3.34Å; L1117-I1121 VanDerWaalsContact O-CG1 3.25Å; L1117-I1121 WeakPolarHBondContact O-CG1 3.37Å; L1117-I1121 PolarHBondContact O-N 3.02Å; E1118-I1121 PolarHBondContact O-N 2.99Å; K1119-I1121 VanDerWaalsContact C-N 3.34Å; I1121-F1123 VanDerWaalsContact C-N 3.28Å; I1121-T1125 PolarHBondContact O-N 3.45Å; I1121-T1125 PolarHBondContact O-OG1 2.91Å; I1121-T1125 VanDerWaalsContact O-OG1 3.07Å
1122	E	58.2	Low	53.1	Low	64 Å²	64	72.2 Å²	72.2	30%	0.299	35%	0.346	S	S	.	.	H	α-helix	trans	-60.9	-36.3	164.3	-75.5	-177.6	168.4	0	0	111.7	T920 E1118 K1119 T1125	T920-E1122 WeakPolarHBondContact CB-OE1 3.41Å; T920-E1122 WeakPolarHBondContact CG2-OE1 3.45Å; T920-E1122 PolarHBondContact OG1-OE1 2.92Å; E1118-E1122 PolarHBondContact O-N 2.83Å; E1118-E1122 VanDerWaalsContact O-N 3.14Å; K1119-E1122 PolarHBondContact O-N 2.91Å; E1122-T1125 PolarHBondContact O-OG1 3.33Å
1123	F	51.8	Low	51.3	Low	127 Å²	127	74.1 Å²	74.1	56%	0.557	36%	0.359	S	S	*	.	H	α-helix	trans	-70.2	-46.6	175.9	-89.7	-93.7	0	0	0	113.2	K1119 S1120 I1121 T1125 T1126	K1119-F1123 WeakPolarHBondContact O-CD2 3.19Å; K1119-F1123 PolarHBondContact O-N 3.19Å; S1120-F1123 WeakPolarHBondContact O-CB 3.14Å; S1120-F1123 PolarHBondContact O-N 2.99Å; I1121-F1123 VanDerWaalsContact C-N 3.28Å; F1123-T1125 VanDerWaalsContact C-N 3.27Å; F1123-T1125 PolarHBondContact O-N 3.14Å; F1123-T1126 PolarHBondContact O-N 2.73Å; F1123-T1126 PolarHBondContact O-OG1 3.24Å
1124	H	45	Very low	49.5	Very low	57 Å²	57	77 Å²	77	26%	0.264	38%	0.38	S	S	.	.	H	α-helix	trans	-72.9	-20.2	-175.9	-57.5	-48.9	0	0	0	113.4	F1030 S1120 T1126 E1127 F1128	F1030-H1124 AromaticContact CE1-CD2 3.87Å; F1030-H1124 HydrophobicContact CZ-CB 4.36Å; F1030-H1124 AromaticContact CZ-CD2 3.57Å; F1030-H1124 AromaticContact CZ-CE1 3.61Å; F1030-H1124 AromaticContact CZ-CG 3.52Å; F1030-H1124 AromaticContact CZ-ND1 3.53Å; F1030-H1124 AromaticContact CZ-NE2 3.63Å; S1120-H1124 PolarHBondContact O-CD2 3.16Å; S1120-H1124 PolarHBondContact O-N 3.39Å; H1124-T1126 PolarHBondContact O-N 2.9Å; H1124-E1127 IonicContact CE1-OE2 3.71Å; H1124-E1127 PolarHBondContact CE1-OE2 3.31Å; H1124-E1127 IonicContact CG-OE2 2.75Å; H1124-E1127 IonicContact ND1-OE2 3.44Å; H1124-E1127 PolarHBondContact ND1-OE2 2.97Å; H1124-E1127 PolarHBondContact O-N 3.35Å; H1124-F1128 PolarHBondContact O-N 3.23Å
1125	T	44.2	Very low	47.6	Very low	63 Å²	63	83.7 Å²	83.7	39%	0.387	42%	0.417	S	S	.	.	H	α-helix	trans	-69.8	-9.8	166.2	50	0	0	0	0	114.7	I1121 E1122 F1123 N1129 M1155	I1121-T1125 PolarHBondContact O-N 3.45Å; I1121-T1125 PolarHBondContact O-OG1 2.91Å; I1121-T1125 VanDerWaalsContact O-OG1 3.07Å; E1122-T1125 PolarHBondContact O-OG1 3.33Å; F1123-T1125 VanDerWaalsContact C-N 3.27Å; F1123-T1125 PolarHBondContact O-N 3.14Å; T1125-N1129 PolarHBondContact O-ND2 3.45Å; T1125-N1129 VanDerWaalsContact O-ND2 3.14Å; T1125-M1155 WeakPolarHBondContact OG1-CE 3.3Å
1126	T	37.5	Very low	45.9	Very low	32 Å²	32	89.1 Å²	89.1	20%	0.196	45%	0.445	C	S	.	.	H	α-helix	trans	-85	-46.8	163.6	28.6	0	0	0	0	112.7	F1123 H1124 M1155	F1123-T1126 PolarHBondContact O-N 2.73Å; F1123-T1126 PolarHBondContact O-OG1 3.24Å; H1124-T1126 PolarHBondContact O-N 2.9Å; T1126-M1155 HydrophobicContact CG2-CE 3.76Å; T1126-M1155 HydrophobicContact CG2-SD 3.64Å
1127	E	33	Very low	43.9	Very low	103 Å²	103	90.1 Å²	90.1	48%	0.481	45%	0.453	S	S	.	.	H	α-helix	trans	-71.6	-37.3	-166.1	-64.7	173.4	138.7	0	0	114.4	H1124 N1129 D1130	H1124-E1127 IonicContact CE1-OE2 3.71Å; H1124-E1127 PolarHBondContact CE1-OE2 3.31Å; H1124-E1127 IonicContact CG-OE2 2.75Å; H1124-E1127 IonicContact ND1-OE2 3.44Å; H1124-E1127 PolarHBondContact ND1-OE2 2.97Å; H1124-E1127 PolarHBondContact O-N 3.35Å; E1127-N1129 VanDerWaalsContact C-N 3.29Å; E1127-N1129 PolarHBondContact O-N 2.83Å; E1127-D1130 PolarHBondContact O-N 2.84Å
1128	F	32.4	Very low	42	Very low	133 Å²	133	95.8 Å²	95.8	58%	0.583	48%	0.483	S	S	*	.	H	α-helix	trans	-62.9	-33.2	-173.6	-105.2	-90.3	0	0	0	114	F1030 H1124	F1030-F1128 HydrophobicContact CD2-CE2 4.48Å; H1124-F1128 PolarHBondContact O-N 3.23Å
1129	N	34.6	Very low	40.1	Very low	64 Å²	64	100.8 Å²	100.8	34%	0.342	51%	0.511	S	S	.	.	H	α-helix	trans	-80.3	-16.7	-174.3	-57.2	-66	0	0	0	113.9	T1125 E1127 N1131 I1157	T1125-N1129 PolarHBondContact O-ND2 3.45Å; T1125-N1129 VanDerWaalsContact O-ND2 3.14Å; E1127-N1129 VanDerWaalsContact C-N 3.29Å; E1127-N1129 PolarHBondContact O-N 2.83Å; N1129-N1131 VanDerWaalsContact C-N 3.31Å; N1129-I1157 HydrophobicContact CB-CD1 3.36Å; N1129-I1157 HydrophobicContact CB-CG1 4.39Å
1130	D	32.3	Very low	38.2	Very low	85 Å²	85	104.1 Å²	104.1	46%	0.455	53%	0.528	S	S	.	.	H	α-helix	trans	-74.9	-22.8	179.2	-77	-23.3	0	0	0	112	E1127	E1127-D1130 PolarHBondContact O-N 2.84Å
1131	N	33.5	Very low	36.5	Very low	129 Å²	129	110 Å²	110	69%	0.69	56%	0.557	S	S	*	*	H	α-helix	trans	-87.5	-31.2	-176.4	-73.7	-26.2	0	0	0	114.3	N1129 L1133 S1134	N1129-N1131 VanDerWaalsContact C-N 3.31Å; N1131-L1133 PolarHBondContact O-N 3.23Å; N1131-S1134 PolarHBondContact O-OG 3.33Å
1132	E	32.7	Very low	34.8	Very low	141 Å²	141	113.5 Å²	113.5	66%	0.659	58%	0.584	S	S	*	*	H	α-helix	trans	-69.9	-27.4	172.9	-67.9	-167.8	134.8	0	0	111.7	S1134 N1135	E1132-S1134 PolarHBondContact O-N 2.92Å; E1132-N1135 PolarHBondContact O-N 3.47Å
1133	L	33.5	Very low	33.1	Very low	121 Å²	121	113.7 Å²	113.7	63%	0.634	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.3	-11.3	-173.6	-139	74.8	0	0	0	114.4	N1131	N1131-L1133 PolarHBondContact O-N 3.23Å
1134	S	32.2	Very low	31.9	Very low	83 Å²	83	112.2 Å²	112.2	58%	0.58	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.8	-22.5	177.4	64.2	0	0	0	0	114	N1131 E1132	N1131-S1134 PolarHBondContact O-OG 3.33Å; E1132-S1134 PolarHBondContact O-N 2.92Å
1135	N	32.3	Very low	31	Very low	142 Å²	142	113.5 Å²	113.5	76%	0.759	61%	0.609	S	S	*	*	S	Bend	trans	-98.9	-7.5	-169.3	-70.7	-0.6	0	0	0	113.9	E1132	E1132-N1135 PolarHBondContact O-N 3.47Å
1136	I	34.4	Very low	30.2	Very low	148 Å²	148	116.3 Å²	116.3	76%	0.759	62%	0.622	S	S	*	*			trans	-106.2	99.4	175.1	-56.1	-179.9	0	0	0	109.1
1137	K	26.6	Very low	29.7	Very low	180 Å²	180	117.7 Å²	117.7	78%	0.783	63%	0.632	S	S	*	*			trans	-85.2	151.6	169.3	-77.3	-178.5	179.4	171	0	111.5
1138	D	27.9	Very low	29.7	Very low	138 Å²	138	113.9 Å²	113.9	74%	0.738	62%	0.615	S	S	*	*			trans	83.5	117.7	160.8	-60.6	-13.1	0	0	0	120
1139	N	27.7	Very low	29.7	Very low	137 Å²	137	109.4 Å²	109.4	73%	0.733	60%	0.6	S	S	*	*			trans	88.4	114.1	148.1	-60.9	-38.4	0	0	0	121.4
1140	H	27.9	Very low	29.9	Very low	177 Å²	177	108.1 Å²	108.1	82%	0.819	59%	0.594	S	S	*	*			trans	68.6	72.7	153.5	-64.6	-63.8	0	0	0	120.4
1141	L	26.4	Very low	30.1	Very low	149 Å²	149	104.7 Å²	104.7	78%	0.78	58%	0.576	S	S	*	*			trans	-146.2	126	142.3	-140.2	75.2	0	0	0	112.2
1142	S	26.4	Very low	30.1	Very low	110 Å²	110	99.7 Å²	99.7	77%	0.769	55%	0.549	S	S	*	.			trans	-137.2	107.8	173.8	56.8	0	0	0	0	110.9
1143	C	23.9	Very low	29.9	Very low	68 Å²	68	96 Å²	96	46%	0.459	54%	0.537	S	S	.	.			trans	-89.9	147	-162.5	-48.4	0	0	0	0	113.8	T1158	C1143-T1158 HydrophobicContact CB-CG2 4.36Å
1144	T	25.7	Very low	29.8	Very low	96 Å²	96	95.6 Å²	95.6	59%	0.589	53%	0.532	S	S	*	.			trans	-123.1	70.1	167.6	68.7	0	0	0	0	116.1	E691	E691-T1144 WeakPolarHBondContact OE2-CA 3.35Å; E691-T1144 WeakPolarHBondContact OE2-CB 3.4Å; E691-T1144 PolarHBondContact OE2-N 3.35Å; E691-T1144 PolarHBondContact OE2-OG1 3.13Å
1145	S	26.5	Very low	29.5	Very low	84 Å²	84	96.5 Å²	96.5	59%	0.587	53%	0.528	S	S	*	.			trans	63.9	67.4	154.4	64.3	0	0	0	0	117.3	S1147	S1145-S1147 PolarHBondContact O-N 3.15Å; S1145-S1147 PolarHBondContact O-OG 2.92Å
1146	D	26.9	Very low	29.2	Very low	123 Å²	123	95.4 Å²	95.4	66%	0.658	53%	0.527	S	S	*	.			trans	-53.1	129.5	167.6	-106.6	-47.3	0	0	0	112.2
1147	S	26.2	Very low	28.9	Very low	60 Å²	60	92.7 Å²	92.7	42%	0.42	51%	0.513	S	S	.	.			trans	-154.8	28.1	-177.5	40.1	0	0	0	0	112.3	R617 S1145	R617-S1147 PolarHBondContact NH1-OG 3.26Å; S1145-S1147 PolarHBondContact O-N 3.15Å; S1145-S1147 PolarHBondContact O-OG 2.92Å
1148	N	33.6	Very low	28.9	Very low	24 Å²	24	88.9 Å²	88.9	13%	0.128	51%	0.505	C	S	.	.			trans	-119.9	-13.7	-163.7	-91.7	-16.9	0	0	0	116.4	R617 H618 T643 K644	R617-N1148 PolarHBondContact O-ND2 3.17Å; R617-N1148 PolarHBondContact O-OD1 3.01Å; H618-N1148 PolarHBondContact CE1-OD1 3.13Å; H618-N1148 VanDerWaalsContact CE1-OD1 3.27Å; H618-N1148 PolarHBondContact ND1-OD1 2.85Å; T643-N1148 PolarHBondContact O-ND2 3.43Å; T643-N1148 VanDerWaalsContact O-ND2 3.08Å; K644-N1148 WeakPolarHBondContact CE-O 3.36Å; K644-N1148 HydrophobicContact CG-CB 4.47Å
1149	S	32.8	Very low	29.1	Very low	38 Å²	38	86.3 Å²	86.3	27%	0.266	50%	0.503	S	S	.	.			trans	-104.9	100.3	160.8	56.4	0	0	0	0	107.5
1150	D	39.7	Very low	29	Very low	38 Å²	38	87 Å²	87	20%	0.203	50%	0.501	C	S	.	.			trans	-110.2	25.1	-162.4	-147.6	9.9	0	0	0	113.5	R819 R829 K925	R819-D1150 IonicContact NH2-OD2 3.32Å; R829-D1150 IonicContact CZ-OD2 3.46Å; R829-D1150 IonicContact NE-OD2 2.74Å; R829-D1150 PolarHBondContact NE-OD2 2.9Å; R829-D1150 PolarHBondContact NH2-O 3.08Å; R829-D1150 VanDerWaalsContact NH2-O 3.15Å; R829-D1150 IonicContact NH2-OD1 2.76Å; R829-D1150 IonicContact NH2-OD2 2.81Å; R829-D1150 PolarHBondContact NH2-OD2 3.43Å; K925-D1150 PolarHBondContact NZ-O 3.16Å; K925-D1150 IonicContact NZ-OD1 3.9Å; K925-D1150 PolarHBondContact NZ-OD1 2.91Å
1151	S	35.4	Very low	29	Very low	13 Å²	13	84.5 Å²	84.5	9%	0.091	49%	0.494	C	S	.	.	S	Bend	trans	-58	174.7	134.8	48.4	0	0	0	0	111.2	H867 Y876 K925	H867-S1151 WeakPolarHBondContact CD2-CB 3.34Å; H867-S1151 PolarHBondContact CD2-OG 2.81Å; H867-S1151 WeakPolarHBondContact NE2-CB 3.49Å; H867-S1151 PolarHBondContact NE2-OG 3.04Å; Y876-S1151 WeakPolarHBondContact OH-CB 3.38Å; K925-S1151 VanDerWaalsContact NZ-C 3.35Å; K925-S1151 PolarHBondContact NZ-O 2.87Å
1152	E	32.8	Very low	29.1	Very low	24 Å²	24	82.9 Å²	82.9	11%	0.112	50%	0.495	C	S	.	.			trans	-63.4	134	-175.3	-65.1	-147.4	117.1	0	0	112.4	Y876 R918 H922 E1154	Y876-E1152 HydrophobicContact CD1-CG 4.42Å; Y876-E1152 HydrophobicContact CE1-CB 4.38Å; Y876-E1152 HydrophobicContact CE1-CG 3.94Å; Y876-E1152 HydrophobicContact CE2-CG 4.26Å; Y876-E1152 PolarHBondContact OH-N 3.22Å; R918-E1152 WeakPolarHBondContact CB-OE2 3.35Å; H922-E1152 PolarHBondContact N-OE1 2.87Å; H922-E1152 VanDerWaalsContact N-OE1 3.11Å; E1152-E1154 PolarHBondContact O-N 3.38Å
1153	P	28.4	Very low	29.2	Very low	64 Å²	64	85.2 Å²	85.2	42%	0.416	50%	0.498	S	S	.	.			trans	-72.4	97.7	-179.9	30.2	-33.5	0	0	0	109.5	M1155	P1153-M1155 PolarHBondContact O-N 3.14Å
1154	E	31.7	Very low	29.3	Very low	112 Å²	112	90 Å²	90	52%	0.523	52%	0.519	S	S	.	.			trans	-58.4	127.1	159.5	-73.1	176.9	127.9	0	0	108.1	R870 E1152 T1156	R870-E1154 IonicContact CZ-OE1 2.98Å; R870-E1154 IonicContact CZ-OE2 3.55Å; R870-E1154 IonicContact NE-OE1 2.71Å; R870-E1154 IonicContact NE-OE2 2.74Å; R870-E1154 PolarHBondContact NE-OE2 3.22Å; R870-E1154 IonicContact NH2-OE1 2.72Å; R870-E1154 PolarHBondContact NH2-OE1 3.38Å; R870-E1154 IonicContact NH2-OE2 2.69Å; R870-E1154 PolarHBondContact NH2-OE2 2.88Å; E1152-E1154 PolarHBondContact O-N 3.38Å; E1154-T1156 PolarHBondContact O-N 3.37Å
1155	M	26	Very low	29.5	Very low	101 Å²	101	93.6 Å²	93.6	50%	0.498	53%	0.53	S	S	.	.			trans	-76	91.8	-158.3	-63.7	-180	-63.8	0	0	111.9	T1125 T1126 P1153	T1125-M1155 WeakPolarHBondContact OG1-CE 3.3Å; T1126-M1155 HydrophobicContact CG2-CE 3.76Å; T1126-M1155 HydrophobicContact CG2-SD 3.64Å; P1153-M1155 PolarHBondContact O-N 3.14Å
1156	T	27.1	Very low	29.6	Very low	120 Å²	120	97.7 Å²	97.7	74%	0.736	53%	0.534	S	S	*	.			trans	-80.6	130.2	156.3	-9.5	0	0	0	0	109	E1154 T1158	E1154-T1156 PolarHBondContact O-N 3.37Å; T1156-T1158 PolarHBondContact O-N 3Å; T1156-T1158 VanDerWaalsContact O-N 3.13Å
1157	I	27.3	Very low	29.7	Very low	90 Å²	90	99.6 Å²	99.6	46%	0.462	54%	0.538	S	S	.	.	S	Bend	trans	-77.7	104.3	-158.3	-58.5	136.8	0	0	0	111.7	N1129	N1129-I1157 HydrophobicContact CB-CD1 3.36Å; N1129-I1157 HydrophobicContact CB-CG1 4.39Å
1158	T	26.9	Very low	29.7	Very low	101 Å²	101	104 Å²	104	62%	0.62	55%	0.552	S	S	*	*			trans	-157	139.1	155.2	-20.4	0	0	0	0	113	C1143 T1156	C1143-T1158 HydrophobicContact CB-CG2 4.36Å; T1156-T1158 PolarHBondContact O-N 3Å; T1156-T1158 VanDerWaalsContact O-N 3.13Å
1159	A	31.2	Very low	29.4	Very low	84 Å²	84	110.3 Å²	110.3	69%	0.694	59%	0.586	S	S	*	*			trans	71.8	40	165.2	0	0	0	0	0	118.9	N1161	A1159-N1161 VanDerWaalsContact C-N 3.31Å; A1159-N1161 PolarHBondContact O-N 3Å
1160	Q	26.6	Very low	29.1	Very low	150 Å²	150	115.5 Å²	115.5	70%	0.701	61%	0.61	S	S	*	*			trans	-61.2	95	145.4	-78.1	179.7	-19.1	0	0	109.3
1161	N	26.9	Very low	28.5	Very low	125 Å²	125	121.9 Å²	121.9	67%	0.668	64%	0.644	S	S	*	*			trans	-143.5	52.6	-179.8	-110.5	-49.1	0	0	0	111.6	A1159	A1159-N1161 VanDerWaalsContact C-N 3.31Å; A1159-N1161 PolarHBondContact O-N 3Å
1162	S	28.6	Very low	28.1	Very low	115 Å²	115	128.8 Å²	128.8	80%	0.804	68%	0.678	S	S	*	*	S	Bend	trans	-158	-14.1	177.5	-75.9	0	0	0	0	116.8
1163	L	29	Very low	27.7	Very low	159 Å²	159	135.3 Å²	135.3	83%	0.832	71%	0.712	S	S	*	*			trans	-100	-6.2	-171.2	-88.3	96.3	0	0	0	116.9	Q1165	L1163-Q1165 PolarHBondContact O-N 3.43Å
1164	N	26.8	Very low	27.7	Very low	168 Å²	168	138 Å²	138	90%	0.898	73%	0.73	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.1	53.5	176.1	-71.3	3	0	0	0	112.7
1165	Q	29.3	Very low	27.6	Very low	172 Å²	172	137.7 Å²	137.7	80%	0.804	74%	0.736	S	S	*	*	T	Hydrogen-bonded Turn	trans	-159.8	27.7	174.8	-144.4	144.8	107	0	0	115.8	L1163	L1163-Q1165 PolarHBondContact O-N 3.43Å
1166	Y	29.2	Very low	27.7	Very low	171 Å²	171	142 Å²	142	67%	0.671	76%	0.757	S	S	*	*			trans	-152.1	71.2	159.2	-92.8	-61.8	0	0	0	112.3	Q1363	Y1166-Q1363 PolarHBondContact OH-NE2 3.11Å
1167	H	27.8	Very low	27.8	Very low	162 Å²	162	143.8 Å²	143.8	75%	0.75	76%	0.757	S	S	*	*			trans	-91.2	156	161.8	-120.3	-102.3	0	0	0	110.2
1168	H	27.4	Very low	27.9	Very low	154 Å²	154	147.6 Å²	147.6	71%	0.713	77%	0.773	S	S	*	*			trans	47.7	94.2	168.7	-57.1	-65.4	0	0	0	117.8
1169	N	25.6	Very low	28	Very low	156 Å²	156	153.4 Å²	153.4	83%	0.834	79%	0.785	S	S	*	*				-166	167.6	116.6	-90	-41.8	0	0	0	109.1
1170	D	27.2	Very low	27.7	Very low	146 Å²	146	157.7 Å²	157.7	78%	0.781	80%	0.795	S	S	*	*	S	Bend	trans	66.8	55.9	173.8	-55.3	-12.7	0	0	0	117
1171	L	27.9	Very low	28	Very low	173 Å²	173	157.5 Å²	157.5	91%	0.906	81%	0.805	S	S	*	*			trans	-158	88	142.6	-111.9	169.9	0	0	0	110.5
1172	I	26	Very low	28	Very low	158 Å²	158	159.6 Å²	159.6	81%	0.81	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-81.4	135.8	173.5	-65.8	171.3	0	0	0	108.6	P1174	I1172-P1174 WeakPolarHBondContact O-CD 3.31Å
1173	L	24.4	Very low	28.1	Very low	160 Å²	160	160.5 Å²	160.5	84%	0.838	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-74.9	126.3	169.6	-75.2	155.9	0	0	0	110.9
1174	P	29.9	Very low	28.3	Very low	120 Å²	120	161 Å²	161	78%	0.779	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-84.7	139.3	149.3	-3.7	24.4	0	0	0	109	I1172	I1172-P1174 WeakPolarHBondContact O-CD 3.31Å
1175	T	28.6	Very low	28.5	Very low	106 Å²	106	156.7 Å²	156.7	65%	0.65	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-78.1	161	179.8	48.9	0	0	0	0	113	E1177	T1175-E1177 WeakPolarHBondContact CB-OE2 3.4Å; T1175-E1177 PolarHBondContact O-N 2.87Å; T1175-E1177 VanDerWaalsContact O-N 3.11Å; T1175-E1177 PolarHBondContact OG1-OE2 2.49Å
1176	M	27.8	Very low	28.5	Very low	192 Å²	192	155.7 Å²	155.7	95%	0.946	80%	0.797	S	S	*	*	S	Bend	trans	-73.3	11.2	-175.9	-88.6	-74.2	-144	0	0	115.1	Q1178	M1176-Q1178 PolarHBondContact O-N 2.89Å
1177	E	28.4	Very low	28.6	Very low	158 Å²	158	153.1 Å²	153.1	74%	0.738	80%	0.801	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.3	31.8	-156	-64.4	168.2	125.4	0	0	114.8	T1175	T1175-E1177 WeakPolarHBondContact CB-OE2 3.4Å; T1175-E1177 PolarHBondContact O-N 2.87Å; T1175-E1177 VanDerWaalsContact O-N 3.11Å; T1175-E1177 PolarHBondContact OG1-OE2 2.49Å
1178	Q	29.9	Very low	28.8	Very low	170 Å²	170	151.3 Å²	151.3	79%	0.794	80%	0.804	S	S	*	*	T	Hydrogen-bonded Turn	trans	-131	14.2	-177.9	-69.1	-160.6	-33.4	0	0	116.2	M1176	M1176-Q1178 PolarHBondContact O-N 2.89Å
1179	Y	29.3	Very low	29	Very low	222 Å²	222	154.1 Å²	154.1	87%	0.871	81%	0.814	S	S	*	*			trans	-135.4	59.7	177.5	-68.4	-77.1	0	0	0	112.8
1180	L	25.5	Very low	29.4	Very low	174 Å²	174	152.8 Å²	152.8	91%	0.911	81%	0.812	S	S	*	*			trans	-141.9	81.6	168.1	-79.8	177.8	0	0	0	110.8
1181	T	31.9	Very low	29.7	Very low	146 Å²	146	152.2 Å²	152.2	90%	0.896	81%	0.813	S	S	*	*			trans	-144.1	153.6	157.4	38.7	0	0	0	0	109.2
1182	L	28.5	Very low	29.9	Very low	170 Å²	170	150.9 Å²	150.9	89%	0.89	81%	0.807	S	S	*	*			trans	-112.3	147.6	-159.4	-83.7	155.2	0	0	0	113.4
1183	D	30	Very low	30.3	Very low	133 Å²	133	150 Å²	150	71%	0.711	80%	0.804	S	S	*	*			trans	79.8	158.2	134.9	-161.2	28.3	0	0	0	121.9
1184	Q	32	Very low	30.7	Very low	171 Å²	171	148 Å²	148	80%	0.799	79%	0.794	S	S	*	*			trans	83.1	100	160.6	-45.6	-162.1	-2.8	0	0	121.7
1185	G	31.6	Very low	30.8	Very low	77 Å²	77	148.7 Å²	148.7	79%	0.794	79%	0.791	S	S	*	*				119.2	85.4	90.3	0	0	0	0	0	122.2
1186	K	30.3	Very low	31	Very low	151 Å²	151	149.1 Å²	149.1	66%	0.657	79%	0.789	S	S	*	*			trans	59.2	164.4	146.6	-79.2	-153.6	173.9	-161.6	0	121.8	D1090 D1091	D1090-K1186 PolarHBondContact O-NZ 3.15Å; D1090-K1186 IonicContact OD2-NZ 3.52Å; D1091-K1186 PolarHBondContact O-NZ 2.62Å
1187	P	31.3	Very low	31.1	Very low	116 Å²	116	150.4 Å²	150.4	75%	0.753	78%	0.784	S	S	*	*			trans	-118.5	-177.6	-147.1	45	-35.3	0	0	0	117.2
1188	P	30.3	Very low	31.1	Very low	125 Å²	125	147.3 Å²	147.3	81%	0.812	78%	0.78	S	S	*	*			trans	-111.7	172.6	-164	41.7	-34.4	0	0	0	117.2
1189	K	33.6	Very low	31.1	Very low	212 Å²	212	147.7 Å²	147.7	92%	0.922	78%	0.775	S	S	*	*			trans	-134.4	164	162.4	-86.9	-173	177.6	176.2	0	113.5
1190	T	32.2	Very low	31.1	Very low	128 Å²	128	144.5 Å²	144.5	79%	0.785	77%	0.766	S	S	*	*			trans	-66.4	151.6	-168.1	49.9	0	0	0	0	117.5
1191	V	34.1	Very low	31.4	Very low	135 Å²	135	143.3 Å²	143.3	82%	0.818	76%	0.76	S	S	*	*				-179.8	167.8	117.6	149.1	0	0	0	0	110.1
1192	D	32	Very low	31.3	Very low	145 Å²	145	145.7 Å²	145.7	78%	0.775	76%	0.757	S	S	*	*			trans	-67.5	164.5	-158.9	-59.1	-77.1	0	0	0	120
1193	D	34.8	Very low	31.7	Very low	138 Å²	138	147 Å²	147	74%	0.738	76%	0.756	S	S	*	*			trans	94.5	136.8	134.3	-130.3	18.3	0	0	0	123.1
1194	N	31.7	Very low	32	Very low	118 Å²	118	151.1 Å²	151.1	63%	0.631	76%	0.761	S	S	*	*			trans	34.6	96.6	151.4	-76.5	-47.5	0	0	0	120.6
1195	N	33.1	Very low	32.3	Very low	136 Å²	136	152 Å²	152	73%	0.727	76%	0.763	S	S	*	*				-176.1	154.9	96	-106.5	-75.4	0	0	0	119.5
1196	N	33	Very low	32.5	Very low	114 Å²	114	157.6 Å²	157.6	61%	0.61	77%	0.765	S	S	*	*			trans	13.4	127.3	151.5	-86.9	-77.7	0	0	0	123.8
1197	R	28.9	Very low	32.8	Very low	219 Å²	219	156.7 Å²	156.7	83%	0.826	77%	0.766	S	S	*	*			trans	72.4	131.3	133.6	-71.5	170.4	172.4	-176.6	-2.7	121.6
1198	S	28.9	Very low	33.1	Very low	93 Å²	93	159.8 Å²	159.8	65%	0.65	77%	0.768	S	S	*	*			trans	72.5	147.3	150.8	-66.5	0	0	0	0	117.7
1199	Y	29.6	Very low	33.4	Very low	179 Å²	179	162.2 Å²	162.2	70%	0.702	77%	0.765	S	S	*	*			cis	-151.5	156.1	-7.4	-116.2	-41.9	0	0	0	110.2
1200	K	30.3	Very low	33.5	Very low	154 Å²	154	161 Å²	161	67%	0.67	76%	0.76	S	S	*	*			trans	30.8	106.3	151.4	-58.1	146.1	-174.9	159.5	0	116.2
1201	L	30.3	Very low	33.6	Very low	150 Å²	150	163.5 Å²	163.5	79%	0.785	76%	0.76	S	S	*	*	S	Bend		-178.5	119.8	70.1	-98.2	131.3	0	0	0	111.9
1202	K	31.5	Very low	33.5	Very low	195 Å²	195	164 Å²	164	85%	0.848	76%	0.757	S	S	*	*	S	Bend	trans	167.8	-17.7	149.6	-95.7	161.8	-177	175.7	0	112.4	R1204 K1205	K1202-R1204 PolarHBondContact O-N 3.31Å; K1202-K1205 PolarHBondContact O-N 3.02Å
1203	K	37.2	Very low	33.7	Very low	197 Å²	197	165.5 Å²	165.5	86%	0.857	76%	0.76	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.8	-1.8	170.6	-120.6	170	-175.8	170.2	0	115.5
1204	R	36	Very low	33.6	Very low	220 Å²	220	163.1 Å²	163.1	83%	0.83	76%	0.759	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.4	-16.4	174.8	-88.6	-178.3	167.1	176.1	-4.6	115.5	K1202	K1202-R1204 PolarHBondContact O-N 3.31Å
1205	K	36.7	Very low	33.5	Very low	191 Å²	191	166.1 Å²	166.1	83%	0.83	77%	0.767	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.7	-40.5	-179.7	-79.8	-172.5	176.3	-179.4	0	114.8	K1202	K1202-K1205 PolarHBondContact O-N 3.02Å
1206	K	37.7	Very low	33.5	Very low	194 Å²	194	171.2 Å²	171.2	84%	0.843	78%	0.776	S	S	*	*	G	3₁₀ helix	trans	-73.1	-26.1	-176.5	-81.5	-176.3	174.6	177.6	0	114.7
1207	I	36.3	Very low	33.6	Very low	131 Å²	131	174.5 Å²	174.5	67%	0.672	79%	0.788	S	S	*	*	G	3₁₀ helix	trans	-76.3	-22.9	-178.6	-67	175.5	0	0	0	113.5
1208	K	35.9	Very low	33.7	Very low	182 Å²	182	173 Å²	173	79%	0.791	79%	0.789	S	S	*	*	G	3₁₀ helix	trans	-75.3	-19	176	-84.6	-169.9	173.4	-175.4	0	114.5
1209	K	38.2	Very low	33.9	Very low	175 Å²	175	178 Å²	178	76%	0.761	80%	0.802	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.9	-40.8	178.6	-100.3	-174.3	173.3	-176.5	0	113.2	K1211 L1212	K1209-K1211 VanDerWaalsContact C-N 3.32Å; K1209-K1211 PolarHBondContact O-N 3.03Å; K1209-L1212 PolarHBondContact O-N 3.46Å
1210	K	36	Very low	34	Very low	187 Å²	187	177.6 Å²	177.6	81%	0.813	81%	0.806	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.6	-5.4	-178.2	-80.4	-165.1	173.4	-172.5	0	116
1211	K	33.3	Very low	34	Very low	181 Å²	181	177.6 Å²	177.6	79%	0.787	81%	0.808	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.6	3.1	169.5	-81.2	-164.7	173.3	-172.6	0	114.7	K1209	K1209-K1211 VanDerWaalsContact C-N 3.32Å; K1209-K1211 PolarHBondContact O-N 3.03Å
1212	L	32.9	Very low	33.7	Very low	145 Å²	145	180.5 Å²	180.5	76%	0.759	81%	0.809	S	S	*	*	S	Bend	trans	-96.1	-8.1	179.2	-149.7	69.4	0	0	0	114.2	K1209	K1209-L1212 PolarHBondContact O-N 3.46Å
1213	Q	35.5	Very low	33.6	Very low	176 Å²	176	178 Å²	178	82%	0.822	80%	0.8	S	S	*	*	S	Bend	trans	-90.7	-7.4	176	-78.2	170.7	-57.1	0	0	114.1
1214	A	31.9	Very low	33.2	Very low	88 Å²	88	176.3 Å²	176.3	73%	0.727	80%	0.795	S	S	*	*	S	Bend	trans	-93.1	12	177.8	0	0	0	0	0	114
1215	F	30.7	Very low	32.8	Very low	182 Å²	182	174.8 Å²	174.8	80%	0.798	80%	0.797	S	S	*	*	S	Bend	trans	-132.2	44.5	-168.2	-124.1	-74.3	0	0	0	114.4
1216	R	32.8	Very low	32.4	Very low	242 Å²	242	171.1 Å²	171.1	91%	0.913	80%	0.796	S	S	*	*	S	Bend	trans	-150.4	19.4	169	-118.9	168.6	-167.6	-173.8	1.4	117.2
1217	H	33.9	Very low	32.2	Very low	184 Å²	184	166.7 Å²	166.7	85%	0.852	79%	0.789	S	S	*	*	S	Bend	trans	-139.9	76.7	171.7	-94.5	87.9	0	0	0	111.1
1218	H	31	Very low	31.9	Very low	187 Å²	187	165 Å²	165	87%	0.866	79%	0.788	S	S	*	*			trans	174.4	110.5	152.1	-104.6	74.5	0	0	0	109.5
1219	H	33.5	Very low	31.6	Very low	198 Å²	198	163.4 Å²	163.4	92%	0.917	79%	0.787	S	S	*	*			trans	-162.9	63.1	158.5	-122.6	-54.3	0	0	0	113.1
1220	H	31.5	Very low	31.2	Very low	170 Å²	170	162.1 Å²	162.1	79%	0.787	78%	0.784	S	S	*	*			trans	-106.5	128.2	158.7	-120.3	-68.6	0	0	0	108.5
1221	H	30.2	Very low	30.9	Very low	155 Å²	155	159.9 Å²	159.9	72%	0.718	78%	0.776	S	S	*	*			trans	63.5	140	166.7	-76.2	-62.4	0	0	0	121.9
1222	R	25.7	Very low	30.8	Very low	211 Å²	211	158.7 Å²	158.7	80%	0.796	77%	0.774	S	S	*	*			trans	78.7	138.4	143.1	-78.8	174.5	176.5	-167	1.9	121.5
1223	H	28.4	Very low	30.7	Very low	141 Å²	141	155.7 Å²	155.7	65%	0.653	76%	0.764	S	S	*	*			trans	55.4	115.6	139.9	-67.9	-47.2	0	0	0	119.1
1224	H	28.8	Very low	30.4	Very low	162 Å²	162	157 Å²	157	75%	0.75	76%	0.763	S	S	*	*				83.6	151.4	92.4	-90.4	-45.5	0	0	0	113.7
1225	Q	28	Very low	30.5	Very low	189 Å²	189	161.7 Å²	161.7	88%	0.883	77%	0.767	S	S	*	*			trans	66.1	151.2	179.8	-62.8	158.8	-9.2	0	0	111.8
1226	S	29.3	Very low	30.4	Very low	114 Å²	114	160 Å²	160	80%	0.797	77%	0.766	S	S	*	*			cis	-153.4	158.7	8.2	20.7	0	0	0	0	108.7
1227	S	33	Very low	30.4	Very low	100 Å²	100	156 Å²	156	70%	0.699	76%	0.762	S	S	*	*			cis	-169.7	172.1	-7.3	47.9	0	0	0	0	110.5
1228	S	30.2	Very low	30.2	Very low	95 Å²	95	151.9 Å²	151.9	66%	0.664	75%	0.754	S	S	*	*			trans	46.2	105.7	143.7	60.1	0	0	0	0	117.9
1229	I	28.7	Very low	30.1	Very low	149 Å²	149	147 Å²	147	76%	0.764	74%	0.741	S	S	*	*				178.1	142.9	99.7	-95.8	164.2	0	0	0	106.3
1230	Q	29.9	Very low	30	Very low	149 Å²	149	143.9 Å²	143.9	70%	0.696	73%	0.731	S	S	*	*			cis	-158.7	166.3	-2	-117.6	168.3	-39.2	0	0	107.6
1231	Q	30.9	Very low	29.8	Very low	139 Å²	139	142.9 Å²	142.9	65%	0.65	73%	0.726	S	S	*	*			cis	-149.4	-81.7	-3.7	-167.9	167	-67.1	0	0	115.4
1232	Q	29.3	Very low	29.9	Very low	157 Å²	157	142.2 Å²	142.2	73%	0.734	72%	0.723	S	S	*	*			trans	-150.2	163.9	-160.5	-88.2	161.9	-28	0	0	109.1
1233	S	31.3	Very low	30.3	Very low	81 Å²	81	139.2 Å²	139.2	57%	0.566	72%	0.718	S	S	*	*			cis	-174	171.2	1.9	38.8	0	0	0	0	111.7
1234	Y	30.4	Very low	30.6	Very low	204 Å²	204	138.2 Å²	138.2	80%	0.8	72%	0.718	S	S	*	*			trans	74.2	151.6	162.1	-59.3	-58	0	0	0	117.8
1235	K	32.4	Very low	30.9	Very low	186 Å²	186	137.9 Å²	137.9	81%	0.809	72%	0.722	S	S	*	*			cis	-145.6	174.2	4.6	-134.4	162.3	-170.6	179	0	112.4
1236	N	30.1	Very low	31.2	Very low	146 Å²	146	132.6 Å²	132.6	78%	0.781	72%	0.717	S	S	*	*			trans	-69.1	177.1	-173.5	-49.7	-16.2	0	0	0	112.8
1237	I	32.3	Very low	31.5	Very low	158 Å²	158	134.9 Å²	134.9	81%	0.81	72%	0.721	S	S	*	*				-158.2	168.7	57.2	-75.2	-179.9	0	0	0	112.2
1238	S	30	Very low	31.6	Very low	98 Å²	98	134.4 Å²	134.4	69%	0.685	72%	0.717	S	S	*	*			trans	-63.2	-171.6	-176.8	69.7	0	0	0	0	117.2
1239	S	29.5	Very low	31.9	Very low	86 Å²	86	135.2 Å²	135.2	60%	0.601	72%	0.719	S	S	*	*			cis	-172.5	155.9	2.7	18.3	0	0	0	0	111.4
1240	N	30.2	Very low	32.3	Very low	132 Å²	132	135.2 Å²	135.2	71%	0.706	72%	0.715	S	S	*	*			trans	53.3	168.7	142.4	-64.2	50.4	0	0	0	121.1
1241	E	27.9	Very low	32.7	Very low	148 Å²	148	134.4 Å²	134.4	69%	0.692	72%	0.715	S	S	*	*			cis	-165.6	158.4	-41	-107.9	170.6	171.8	0	0	111.8
1242	H	32.3	Very low	32.9	Very low	141 Å²	141	132 Å²	132	65%	0.653	71%	0.714	S	S	*	*			trans	63.2	138.3	148.4	-84.5	-81.3	0	0	0	126.6
1243	H	34.2	Very low	33.3	Very low	148 Å²	148	133.4 Å²	133.4	69%	0.685	72%	0.718	S	S	*	*			trans	68.1	157.8	149	-66.7	-49	0	0	0	121.4
1244	N	34.3	Very low	33.4	Very low	120 Å²	120	136 Å²	136	64%	0.642	73%	0.725	S	S	*	*			cis	-162.8	153.5	-12.6	-109.6	-8.6	0	0	0	114.8
1245	N	34.8	Very low	33.6	Very low	156 Å²	156	133.6 Å²	133.6	83%	0.834	73%	0.725	S	S	*	*			trans	31.9	145	147.6	-60	-14	0	0	0	126.7
1246	G	34.2	Very low	33.6	Very low	77 Å²	77	129 Å²	129	79%	0.794	72%	0.716	S	S	*	*			trans	166.1	101.4	151.2	0	0	0	0	0	121.9
1247	N	35.9	Very low	33.6	Very low	163 Å²	163	127.2 Å²	127.2	87%	0.872	72%	0.715	S	S	*	*			trans	2.2	162.8	144.8	-70.6	-3.4	0	0	0	124.1
1248	S	35.7	Very low	33.6	Very low	90 Å²	90	128.8 Å²	128.8	63%	0.629	72%	0.716	S	S	*	*			cis	-175.7	172.6	-8.2	54.1	0	0	0	0	115.3
1249	T	35.7	Very low	33.6	Very low	112 Å²	112	128.9 Å²	128.9	69%	0.687	72%	0.716	S	S	*	*			trans	68.4	153.1	152	45.3	0	0	0	0	121.4
1250	H	37.9	Very low	33.7	Very low	149 Å²	149	130.1 Å²	130.1	69%	0.69	73%	0.725	S	S	*	*			cis	-162.8	150.7	-3.3	-119.7	-43.2	0	0	0	114.5
1251	N	36.6	Very low	33.8	Very low	131 Å²	131	128.5 Å²	128.5	70%	0.701	72%	0.724	S	S	*	*			trans	65.6	151.1	141.6	-66.5	-9.4	0	0	0	123.7
1252	S	36.9	Very low	33.9	Very low	89 Å²	89	126.7 Å²	126.7	62%	0.622	73%	0.728	S	S	*	*			cis	-173.7	169.4	-16.2	58.7	0	0	0	0	114.7
1253	K	35.8	Very low	33.8	Very low	187 Å²	187	125.5 Å²	125.5	81%	0.813	74%	0.735	S	S	*	*			trans	77.9	144	160.3	-60.9	-172.9	178.8	179.5	0	118.2
1254	L	33.5	Very low	33.6	Very low	136 Å²	136	123.6 Å²	123.6	71%	0.712	74%	0.739	S	S	*	*			cis	-158.9	142.7	-1.7	-147.3	64.9	0	0	0	113.3
1255	L	34.6	Very low	33.5	Very low	153 Å²	153	123.4 Å²	123.4	80%	0.801	75%	0.747	S	S	*	*			trans	48.7	150	153.7	-67.5	163	0	0	0	121.6
1256	S	32.7	Very low	33.2	Very low	89 Å²	89	121 Å²	121	62%	0.622	74%	0.743	S	S	*	*			cis	-164.9	150.5	-13.2	51.1	0	0	0	0	114.4
1257	S	31.8	Very low	33	Very low	109 Å²	109	123.6 Å²	123.6	76%	0.762	74%	0.743	S	S	*	*			trans	67.9	141.7	160.4	77.3	0	0	0	0	118.3
1258	K	31.1	Very low	32.8	Very low	190 Å²	190	120.7 Å²	120.7	83%	0.826	74%	0.735	S	S	*	*			cis	-153.1	150.6	-2	-130.9	170.6	-175.4	178.6	0	110.6
1259	S	31.1	Very low	32.8	Very low	100 Å²	100	121.7 Å²	121.7	70%	0.699	74%	0.74	S	S	*	*			trans	48	98.4	160.6	47.2	0	0	0	0	118.1
1260	S	30.3	Very low	32.8	Very low	112 Å²	112	121.4 Å²	121.4	78%	0.783	74%	0.74	S	S	*	*				77.8	139.9	79.6	67.4	0	0	0	0	113.8
1261	S	31.7	Very low	32.5	Very low	99 Å²	99	122 Å²	122	69%	0.692	75%	0.745	S	S	*	*			cis	-156.9	126.4	9.7	20.7	0	0	0	0	107.8
1262	S	29.8	Very low	32.1	Very low	109 Å²	109	121.7 Å²	121.7	76%	0.762	74%	0.743	S	S	*	*				63	137.2	82.7	75.5	0	0	0	0	114.4
1263	S	31	Very low	31.7	Very low	116 Å²	116	122.9 Å²	122.9	81%	0.811	75%	0.746	S	S	*	*			cis	-165.7	158.1	-2.8	32.3	0	0	0	0	112
1264	S	30.6	Very low	31.2	Very low	109 Å²	109	122.6 Å²	122.6	76%	0.762	75%	0.748	S	S	*	*			trans	-113.7	-155.3	168.2	62.4	0	0	0	0	110.4
1265	S	31.3	Very low	31	Very low	116 Å²	116	122.8 Å²	122.8	81%	0.811	75%	0.754	S	S	*	*			trans	77	159.9	178.6	82.5	0	0	0	0	115.8
1266	S	28.9	Very low	30.6	Very low	106 Å²	106	121 Å²	121	74%	0.741	75%	0.75	S	S	*	*			cis	-137.1	-173.7	6.1	53.3	0	0	0	0	110.5
1267	T	30	Very low	30.3	Very low	131 Å²	131	121.8 Å²	121.8	80%	0.804	76%	0.756	S	S	*	*			cis	-133.6	-137.8	12.6	44.4	0	0	0	0	111.2
1268	S	32	Very low	30.2	Very low	101 Å²	101	121.6 Å²	121.6	71%	0.706	75%	0.754	S	S	*	*				-144.5	168.5	-98.6	65.2	0	0	0	0	113
1269	P	36	Very low	30.3	Very low	111 Å²	111	120.8 Å²	120.8	72%	0.721	75%	0.754	S	S	*	*			trans	-92.8	-163.4	169.6	42.7	-36.2	0	0	0	110.3
1270	P	35.4	Very low	30.3	Very low	107 Å²	107	124 Å²	124	70%	0.695	76%	0.758	S	S	*	*			cis	-145.9	179.6	6.3	47.5	-28.7	0	0	0	119.2
1271	M	31.1	Very low	30.4	Very low	160 Å²	160	124 Å²	124	79%	0.788	75%	0.747	S	S	*	*			trans	67.3	154.8	155.3	-47.7	-127.3	-62.8	0	0	118.8
1272	D	27.9	Very low	30.8	Very low	126 Å²	126	124.1 Å²	124.1	67%	0.674	74%	0.74	S	S	*	*			cis	-155.3	172.9	24.8	-128	-34.1	0	0	0	115.5
1273	V	28.9	Very low	31.2	Very low	113 Å²	113	123 Å²	123	69%	0.685	73%	0.726	S	S	*	*			trans	37.8	102.9	157.7	-178.7	0	0	0	0	118.8
1274	E	25.9	Very low	32	Very low	182 Å²	182	124 Å²	124	85%	0.85	72%	0.717	S	S	*	*				62.7	128	82.3	-70.4	-155.6	138.8	0	0	118.3
1275	V	28.5	Very low	32.5	Very low	139 Å²	139	124.5 Å²	124.5	84%	0.842	71%	0.706	S	S	*	*				-173.8	126.5	124.7	146.5	0	0	0	0	111.4
1276	T	27.7	Very low	33.1	Very low	116 Å²	116	126.6 Å²	126.6	71%	0.712	70%	0.696	S	S	*	*			trans	-28	145.1	178.2	59.3	0	0	0	0	121.4
1277	S	25.9	Very low	34	Very low	106 Å²	106	127.6 Å²	127.6	74%	0.741	69%	0.689	S	S	*	*				-176.7	155.3	106.6	48.3	0	0	0	0	115.7	E1279	S1277-E1279 PolarHBondContact O-N 2.86Å
1278	S	29.3	Very low	34.9	Very low	105 Å²	105	126.1 Å²	126.1	73%	0.734	67%	0.673	S	S	*	*	S	Bend	trans	76.2	-35.6	167.5	78.4	0	0	0	0	121.8	Q1280	S1278-Q1280 PolarHBondContact O-N 3.11Å
1279	E	33.4	Very low	35.4	Very low	173 Å²	173	127.5 Å²	127.5	81%	0.808	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.3	-22.5	-170.1	-69.4	-163.5	127.6	0	0	115.9	S1277 I1281 D1282	S1277-E1279 PolarHBondContact O-N 2.86Å; E1279-I1281 VanDerWaalsContact C-N 3.26Å; E1279-I1281 PolarHBondContact O-N 3.42Å; E1279-D1282 PolarHBondContact O-N 2.89Å
1280	Q	31.1	Very low	36	Very low	168 Å²	168	129 Å²	129	79%	0.785	66%	0.662	S	S	*	*	H	α-helix	trans	-62.9	-25.9	-174.9	-73.2	177.3	-23.9	0	0	114.7	S1278 D1282 H1284	S1278-Q1280 PolarHBondContact O-N 3.11Å; Q1280-D1282 PolarHBondContact O-N 2.97Å; Q1280-H1284 PolarHBondContact O-N 2.82Å
1281	I	31.4	Very low	36.8	Very low	111 Å²	111	127 Å²	127	57%	0.569	65%	0.65	S	S	*	*	H	α-helix	trans	-68.5	-35.4	-177.7	-65.2	175	0	0	0	111.5	E1279 K1285	E1279-I1281 VanDerWaalsContact C-N 3.26Å; E1279-I1281 PolarHBondContact O-N 3.42Å; I1281-K1285 HydrophobicContact CG2-CD 4.23Å; I1281-K1285 WeakPolarHBondContact O-CG 3.26Å; I1281-K1285 PolarHBondContact O-N 3.14Å; I1281-K1285 VanDerWaalsContact O-N 3.13Å
1282	D	40.9	Very low	37.6	Very low	102 Å²	102	123.4 Å²	123.4	55%	0.545	63%	0.631	S	S	.	*	H	α-helix	trans	-82.2	-28.6	-173.7	-144.5	46	0	0	0	112.1	E1279 Q1280 K1285 R1286	E1279-D1282 PolarHBondContact O-N 2.89Å; Q1280-D1282 PolarHBondContact O-N 2.97Å; D1282-K1285 CarbonylContact O-C 3.58Å; D1282-K1285 PolarHBondContact O-N 2.97Å; D1282-R1286 WeakPolarHBondContact O-CG 3.43Å; D1282-R1286 PolarHBondContact O-N 2.96Å
1283	D	37.8	Very low	38.6	Very low	86 Å²	86	120 Å²	120	46%	0.46	61%	0.612	S	S	.	*	H	α-helix	trans	-79.1	-31	174.1	-134.3	34.3	0	0	0	112.3	K1285 R1286 Q1287	D1283-K1285 VanDerWaalsContact C-N 3.32Å; D1283-K1285 PolarHBondContact O-N 2.84Å; D1283-R1286 CarbonylContact O-C 3.56Å; D1283-R1286 PolarHBondContact O-N 2.78Å; D1283-R1286 WeakPolarHBondContact OD1-CD 3.48Å; D1283-R1286 IonicContact OD1-NH1 3.91Å; D1283-Q1287 WeakPolarHBondContact O-CG 3.37Å; D1283-Q1287 PolarHBondContact O-N 2.91Å
1284	H	47.8	Very low	39.7	Very low	136 Å²	136	121.2 Å²	121.2	63%	0.63	61%	0.612	S	S	*	*	H	α-helix	trans	-65.5	-36.2	167.2	-156.4	-60	0	0	0	111.6	Q1280 Q1287 Q1288	Q1280-H1284 PolarHBondContact O-N 2.82Å; H1284-Q1287 PolarHBondContact O-N 2.92Å; H1284-Q1288 WeakPolarHBondContact O-CB 3.29Å; H1284-Q1288 PolarHBondContact O-N 2.86Å
1285	K	42.1	Very low	41.2	Very low	120 Å²	120	118.2 Å²	118.2	52%	0.522	60%	0.599	S	S	.	*	H	α-helix	trans	-67.9	-34.6	169.8	-76.5	173	-177.5	170.8	0	112.8	I1281 D1282 D1283 Q1288 F1289	I1281-K1285 HydrophobicContact CG2-CD 4.23Å; I1281-K1285 WeakPolarHBondContact O-CG 3.26Å; I1281-K1285 PolarHBondContact O-N 3.14Å; I1281-K1285 VanDerWaalsContact O-N 3.13Å; D1282-K1285 CarbonylContact O-C 3.58Å; D1282-K1285 PolarHBondContact O-N 2.97Å; D1283-K1285 VanDerWaalsContact C-N 3.32Å; D1283-K1285 PolarHBondContact O-N 2.84Å; K1285-Q1288 PolarHBondContact O-N 2.99Å; K1285-F1289 VanDerWaalsContact O-CB 3.24Å; K1285-F1289 WeakPolarHBondContact O-CB 3.45Å; K1285-F1289 PolarHBondContact O-N 3.41Å
1286	R	42.6	Very low	42	Very low	159 Å²	159	115.8 Å²	115.8	60%	0.6	58%	0.577	S	S	*	*	H	α-helix	trans	-68.4	-35.3	171.6	-78.4	170.9	153.2	-148.5	-0.8	112.7	D1282 D1283 K1290	D1282-R1286 WeakPolarHBondContact O-CG 3.43Å; D1282-R1286 PolarHBondContact O-N 2.96Å; D1283-R1286 CarbonylContact O-C 3.56Å; D1283-R1286 PolarHBondContact O-N 2.78Å; D1283-R1286 WeakPolarHBondContact OD1-CD 3.48Å; D1283-R1286 IonicContact OD1-NH1 3.91Å; R1286-K1290 VanDerWaalsContact O-CB 3.28Å; R1286-K1290 WeakPolarHBondContact O-CB 3.29Å; R1286-K1290 WeakPolarHBondContact O-CG 3.33Å; R1286-K1290 PolarHBondContact O-N 3.19Å
1287	Q	49	Very low	43	Very low	127 Å²	127	113.8 Å²	113.8	59%	0.593	56%	0.562	S	S	*	*	H	α-helix	trans	-68.3	-43.9	172.5	-71.1	-163.5	36.8	0	0	111	D1283 H1284 F1289 K1290 S1291	D1283-Q1287 WeakPolarHBondContact O-CG 3.37Å; D1283-Q1287 PolarHBondContact O-N 2.91Å; H1284-Q1287 PolarHBondContact O-N 2.92Å; Q1287-F1289 PolarHBondContact O-N 2.9Å; Q1287-K1290 CarbonylContact O-C 3.25Å; Q1287-K1290 WeakPolarHBondContact O-CB 3.34Å; Q1287-K1290 PolarHBondContact O-N 3.08Å; Q1287-S1291 PolarHBondContact O-N 3.1Å; Q1287-S1291 PolarHBondContact O-OG 2.81Å
1288	Q	49.2	Very low	44	Very low	100 Å²	100	113.4 Å²	113.4	47%	0.467	56%	0.559	S	S	.	*	H	α-helix	trans	-61.7	-42.6	173	-174.1	175.5	-10.4	0	0	112.3	H1284 K1285 K1290 S1291 E1292	H1284-Q1288 WeakPolarHBondContact O-CB 3.29Å; H1284-Q1288 PolarHBondContact O-N 2.86Å; K1285-Q1288 PolarHBondContact O-N 2.99Å; Q1288-K1290 VanDerWaalsContact C-N 3.33Å; Q1288-K1290 PolarHBondContact O-N 2.88Å; Q1288-S1291 WeakPolarHBondContact CA-OG 3.29Å; Q1288-S1291 PolarHBondContact O-N 3.01Å; Q1288-S1291 PolarHBondContact O-OG 3.06Å; Q1288-E1292 PolarHBondContact NE2-OE1 3.48Å; Q1288-E1292 WeakPolarHBondContact O-CB 3.39Å; Q1288-E1292 WeakPolarHBondContact O-CG 3.35Å; Q1288-E1292 PolarHBondContact O-N 2.9Å
1289	F	42.5	Very low	44.7	Very low	130 Å²	130	110.2 Å²	110.2	57%	0.57	53%	0.533	S	S	*	.	H	α-helix	trans	-71.1	-28.5	176.4	-158.8	-113.1	0	0	0	112.1	K1285 Q1287 I1293	K1285-F1289 VanDerWaalsContact O-CB 3.24Å; K1285-F1289 WeakPolarHBondContact O-CB 3.45Å; K1285-F1289 PolarHBondContact O-N 3.41Å; Q1287-F1289 PolarHBondContact O-N 2.9Å; F1289-I1293 HydrophobicContact CD1-CD1 3.69Å; F1289-I1293 HydrophobicContact CE1-CD1 3.63Å; F1289-I1293 HydrophobicContact CG-CD1 4.47Å; F1289-I1293 HydrophobicContact CZ-CD1 4.35Å; F1289-I1293 WeakPolarHBondContact O-CB 3.49Å; F1289-I1293 WeakPolarHBondContact O-CD1 3.33Å; F1289-I1293 WeakPolarHBondContact O-CG1 3.48Å; F1289-I1293 PolarHBondContact O-N 3.29Å
1290	K	47.8	Very low	45.4	Very low	143 Å²	143	107.5 Å²	107.5	62%	0.622	52%	0.523	S	S	*	.	H	α-helix	trans	-67.8	-43	168	-87.4	177	175.9	174.2	0	111.6	R1286 Q1287 Q1288 I1293 M1294	R1286-K1290 VanDerWaalsContact O-CB 3.28Å; R1286-K1290 WeakPolarHBondContact O-CB 3.29Å; R1286-K1290 WeakPolarHBondContact O-CG 3.33Å; R1286-K1290 PolarHBondContact O-N 3.19Å; Q1287-K1290 CarbonylContact O-C 3.25Å; Q1287-K1290 WeakPolarHBondContact O-CB 3.34Å; Q1287-K1290 PolarHBondContact O-N 3.08Å; Q1288-K1290 VanDerWaalsContact C-N 3.33Å; Q1288-K1290 PolarHBondContact O-N 2.88Å; K1290-I1293 CarbonylContact O-C 3.28Å; K1290-I1293 PolarHBondContact O-N 2.88Å; K1290-M1294 WeakPolarHBondContact O-CB 3.3Å; K1290-M1294 WeakPolarHBondContact O-CG 3.33Å; K1290-M1294 PolarHBondContact O-N 2.9Å
1291	S	52.7	Low	46.1	Very low	65 Å²	65	105 Å²	105	46%	0.455	51%	0.511	S	S	.	.	H	α-helix	trans	-70.8	-42	179	61.1	0	0	0	0	111.3	Q1287 Q1288 I1293 M1294 E1295	Q1287-S1291 PolarHBondContact O-N 3.1Å; Q1287-S1291 PolarHBondContact O-OG 2.81Å; Q1288-S1291 WeakPolarHBondContact CA-OG 3.29Å; Q1288-S1291 PolarHBondContact O-N 3.01Å; Q1288-S1291 PolarHBondContact O-OG 3.06Å; S1291-I1293 VanDerWaalsContact C-N 3.3Å; S1291-I1293 PolarHBondContact O-N 2.89Å; S1291-M1294 CarbonylContact O-C 3.56Å; S1291-M1294 PolarHBondContact O-N 3.08Å; S1291-E1295 WeakPolarHBondContact O-CB 3.48Å; S1291-E1295 PolarHBondContact O-N 2.92Å
1292	E	47.3	Very low	47.1	Very low	84 Å²	84	105.2 Å²	105.2	39%	0.393	51%	0.514	S	S	.	.	H	α-helix	trans	-58.7	-38.9	169.1	-74.4	175.5	-162.7	0	0	111.9	Q1288 F1296	Q1288-E1292 PolarHBondContact NE2-OE1 3.48Å; Q1288-E1292 WeakPolarHBondContact O-CB 3.39Å; Q1288-E1292 WeakPolarHBondContact O-CG 3.35Å; Q1288-E1292 PolarHBondContact O-N 2.9Å; E1292-F1296 WeakPolarHBondContact O-CB 3.07Å; E1292-F1296 PolarHBondContact O-N 3.37Å
1293	I	48.6	Very low	47.5	Very low	54 Å²	54	105.3 Å²	105.3	28%	0.277	51%	0.511	S	S	.	.	H	α-helix	trans	-70.3	-34.9	172.9	-76.9	172.2	0	0	0	111.8	F1289 K1290 S1291 N1297	F1289-I1293 HydrophobicContact CD1-CD1 3.69Å; F1289-I1293 HydrophobicContact CE1-CD1 3.63Å; F1289-I1293 HydrophobicContact CG-CD1 4.47Å; F1289-I1293 HydrophobicContact CZ-CD1 4.35Å; F1289-I1293 WeakPolarHBondContact O-CB 3.49Å; F1289-I1293 WeakPolarHBondContact O-CD1 3.33Å; F1289-I1293 WeakPolarHBondContact O-CG1 3.48Å; F1289-I1293 PolarHBondContact O-N 3.29Å; K1290-I1293 CarbonylContact O-C 3.28Å; K1290-I1293 PolarHBondContact O-N 2.88Å; S1291-I1293 VanDerWaalsContact C-N 3.3Å; S1291-I1293 PolarHBondContact O-N 2.89Å; I1293-N1297 VanDerWaalsContact O-CB 3.27Å; I1293-N1297 WeakPolarHBondContact O-CB 3.08Å; I1293-N1297 PolarHBondContact O-N 2.74Å; I1293-N1297 PolarHBondContact O-ND2 2.93Å
1294	M	51.7	Low	48	Very low	139 Å²	139	103.5 Å²	103.5	69%	0.685	50%	0.498	S	S	*	.	H	α-helix	trans	-68.7	-42.5	174	-78.3	-178.8	168.3	0	0	111.3	K1290 S1291 N1297 S1298	K1290-M1294 WeakPolarHBondContact O-CB 3.3Å; K1290-M1294 WeakPolarHBondContact O-CG 3.33Å; K1290-M1294 PolarHBondContact O-N 2.9Å; S1291-M1294 CarbonylContact O-C 3.56Å; S1291-M1294 PolarHBondContact O-N 3.08Å; M1294-N1297 CarbonylContact O-C 3.58Å; M1294-N1297 WeakPolarHBondContact O-CA 3.37Å; M1294-N1297 WeakPolarHBondContact O-CB 3.28Å; M1294-N1297 PolarHBondContact O-N 3.44Å; M1294-S1298 PolarHBondContact O-N 3.22Å; M1294-S1298 PolarHBondContact O-OG 3.35Å
1295	E	57	Low	48.1	Very low	120 Å²	120	100.6 Å²	100.6	56%	0.561	49%	0.486	S	S	*	.	H	α-helix	trans	-66.2	-44.9	176.6	-170.2	-179.1	-133.9	0	0	111.6	S1291 N1297 S1298 Q1299	S1291-E1295 WeakPolarHBondContact O-CB 3.48Å; S1291-E1295 PolarHBondContact O-N 2.92Å; E1295-N1297 PolarHBondContact O-N 3.19Å; E1295-S1298 WeakPolarHBondContact CA-OG 3.15Å; E1295-S1298 PolarHBondContact O-N 3.49Å; E1295-S1298 PolarHBondContact O-OG 2.88Å; E1295-S1298 VanDerWaalsContact O-OG 3.05Å; E1295-Q1299 WeakPolarHBondContact O-CG 3.35Å; E1295-Q1299 PolarHBondContact O-N 2.61Å
1296	F	46.9	Very low	48.5	Very low	87 Å²	87	100 Å²	100	38%	0.382	49%	0.489	S	S	.	.	H	α-helix	trans	-65.8	-15	169.6	-176.9	-109.7	0	0	0	112.9	E1292 R1304	E1292-F1296 WeakPolarHBondContact O-CB 3.07Å; E1292-F1296 PolarHBondContact O-N 3.37Å; F1296-R1304 HydrophobicContact CE2-CG 4.31Å; F1296-R1304 PolarHBondContact O-NE 3.29Å; F1296-R1304 PolarHBondContact O-NH2 3.28Å
1297	N	48.4	Very low	48.8	Very low	75 Å²	75	100 Å²	100	40%	0.401	49%	0.489	S	S	.	.	H	α-helix	trans	-92.9	-26.3	171.5	-84.5	-63.8	0	0	0	114.6	I1293 M1294 E1295 R1304	I1293-N1297 VanDerWaalsContact O-CB 3.27Å; I1293-N1297 WeakPolarHBondContact O-CB 3.08Å; I1293-N1297 PolarHBondContact O-N 2.74Å; I1293-N1297 PolarHBondContact O-ND2 2.93Å; M1294-N1297 CarbonylContact O-C 3.58Å; M1294-N1297 WeakPolarHBondContact O-CA 3.37Å; M1294-N1297 WeakPolarHBondContact O-CB 3.28Å; M1294-N1297 PolarHBondContact O-N 3.44Å; E1295-N1297 PolarHBondContact O-N 3.19Å; N1297-R1304 PolarHBondContact O-NH1 3.43Å; N1297-R1304 VanDerWaalsContact O-NH1 3.16Å; N1297-R1304 PolarHBondContact OD1-NH2 2.67Å
1298	S	46.2	Very low	48.5	Very low	97 Å²	97	101.3 Å²	101.3	68%	0.678	49%	0.489	S	S	*	.	H	α-helix	trans	-82.4	-25.7	173.7	62.7	0	0	0	0	113.3	M1294 E1295	M1294-S1298 PolarHBondContact O-N 3.22Å; M1294-S1298 PolarHBondContact O-OG 3.35Å; E1295-S1298 WeakPolarHBondContact CA-OG 3.15Å; E1295-S1298 PolarHBondContact O-N 3.49Å; E1295-S1298 PolarHBondContact O-OG 2.88Å; E1295-S1298 VanDerWaalsContact O-OG 3.05Å
1299	Q	43.3	Very low	48.1	Very low	39 Å²	39	101.3 Å²	101.3	18%	0.182	49%	0.491	C	S	.	.	S	Bend	trans	-52.1	144.2	171.2	-81.7	168.2	18.6	0	0	112.6	E1295 R1304	E1295-Q1299 WeakPolarHBondContact O-CG 3.35Å; E1295-Q1299 PolarHBondContact O-N 2.61Å; Q1299-R1304 HydrophobicContact CB-CG 4.22Å; Q1299-R1304 VanDerWaalsContact O-CD 3.27Å; Q1299-R1304 WeakPolarHBondContact O-CD 3.22Å
1300	N	48.1	Very low	48	Very low	115 Å²	115	102.9 Å²	102.9	62%	0.615	49%	0.494	S	S	*	.			trans	-80.6	164.1	-170.2	-161.3	-5.9	0	0	0	111.8	N1302 E1303 R1304	N1300-N1302 PolarHBondContact O-N 2.87Å; N1300-N1302 VanDerWaalsContact O-N 3.13Å; N1300-E1303 PolarHBondContact N-OE2 2.73Å; N1300-E1303 PolarHBondContact O-N 2.9Å; N1300-R1304 WeakPolarHBondContact O-CG 3.33Å; N1300-R1304 PolarHBondContact O-N 3.23Å; N1300-R1304 VanDerWaalsContact O-N 3.15Å
1301	H	46.2	Very low	47.4	Very low	115 Å²	115	104.9 Å²	104.9	53%	0.532	50%	0.5	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-30.9	-172.3	-161.1	-54.4	0	0	0	113.5	L1305	H1301-L1305 PolarHBondContact O-N 2.83Å; H1301-L1305 VanDerWaalsContact O-N 3.16Å
1302	N	52.8	Low	46.8	Very low	117 Å²	117	107.7 Å²	107.7	63%	0.626	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-41	-179.8	-69.1	-1.6	0	0	0	112.4	N1300 R1304 L1305 N1306	N1300-N1302 PolarHBondContact O-N 2.87Å; N1300-N1302 VanDerWaalsContact O-N 3.13Å; N1302-R1304 VanDerWaalsContact C-N 3.3Å; N1302-R1304 PolarHBondContact O-N 3.28Å; N1302-L1305 WeakPolarHBondContact O-CA 3.46Å; N1302-L1305 VanDerWaalsContact O-CB 3.28Å; N1302-L1305 WeakPolarHBondContact O-CB 3.42Å; N1302-L1305 PolarHBondContact O-N 3.24Å; N1302-N1306 PolarHBondContact O-N 3.32Å
1303	E	49	Very low	46.8	Very low	103 Å²	103	107.3 Å²	107.3	48%	0.481	52%	0.515	S	S	.	.	H	α-helix	trans	-64.4	-39.2	175.8	-59.5	172	122.7	0	0	110.9	N1300 L1305 N1306 R1307	N1300-E1303 PolarHBondContact N-OE2 2.73Å; N1300-E1303 PolarHBondContact O-N 2.9Å; E1303-L1305 PolarHBondContact O-N 2.86Å; E1303-N1306 PolarHBondContact O-N 3.48Å; E1303-R1307 PolarHBondContact O-N 2.9Å
1304	R	49.7	Very low	46.7	Very low	48 Å²	48	110.8 Å²	110.8	18%	0.181	53%	0.528	C	S	.	.	H	α-helix	trans	-69.7	-13.6	172.7	-61.8	176.3	96.1	167.4	7.7	113.4	F1296 N1297 Q1299 N1300 N1302	F1296-R1304 HydrophobicContact CE2-CG 4.31Å; F1296-R1304 PolarHBondContact O-NE 3.29Å; F1296-R1304 PolarHBondContact O-NH2 3.28Å; N1297-R1304 PolarHBondContact O-NH1 3.43Å; N1297-R1304 VanDerWaalsContact O-NH1 3.16Å; N1297-R1304 PolarHBondContact OD1-NH2 2.67Å; Q1299-R1304 HydrophobicContact CB-CG 4.22Å; Q1299-R1304 VanDerWaalsContact O-CD 3.27Å; Q1299-R1304 WeakPolarHBondContact O-CD 3.22Å; N1300-R1304 WeakPolarHBondContact O-CG 3.33Å; N1300-R1304 PolarHBondContact O-N 3.23Å; N1300-R1304 VanDerWaalsContact O-N 3.15Å; N1302-R1304 VanDerWaalsContact C-N 3.3Å; N1302-R1304 PolarHBondContact O-N 3.28Å
1305	L	48.6	Very low	46.6	Very low	75 Å²	75	107.6 Å²	107.6	39%	0.393	51%	0.509	S	S	.	.	H	α-helix	trans	-84.4	-49.2	166.1	-119.5	86.7	0	0	0	110.9	H1301 N1302 E1303 R1307 R1308 L1309	H1301-L1305 PolarHBondContact O-N 2.83Å; H1301-L1305 VanDerWaalsContact O-N 3.16Å; N1302-L1305 WeakPolarHBondContact O-CA 3.46Å; N1302-L1305 VanDerWaalsContact O-CB 3.28Å; N1302-L1305 WeakPolarHBondContact O-CB 3.42Å; N1302-L1305 PolarHBondContact O-N 3.24Å; E1303-L1305 PolarHBondContact O-N 2.86Å; L1305-R1307 PolarHBondContact O-N 2.97Å; L1305-R1308 CarbonylContact O-C 3.6Å; L1305-R1308 WeakPolarHBondContact O-CA 3.32Å; L1305-R1308 WeakPolarHBondContact O-CB 3.31Å; L1305-R1308 PolarHBondContact O-N 2.93Å; L1305-L1309 PolarHBondContact O-N 3.41Å
1306	N	50.8	Low	46	Very low	108 Å²	108	105.3 Å²	105.3	58%	0.578	51%	0.511	S	S	*	.	H	α-helix	trans	-62.9	-43.9	-175.7	-70.8	-2.1	0	0	0	112.4	N1302 E1303 R1308 L1309 Y1310	N1302-N1306 PolarHBondContact O-N 3.32Å; E1303-N1306 PolarHBondContact O-N 3.48Å; N1306-R1308 PolarHBondContact O-N 3.38Å; N1306-L1309 PolarHBondContact O-N 2.89Å; N1306-Y1310 PolarHBondContact O-N 2.59Å
1307	R	48.8	Very low	46.3	Very low	159 Å²	159	105.4 Å²	105.4	60%	0.6	54%	0.536	S	S	*	.	H	α-helix	trans	-63.4	-23.3	171.6	-72.9	-167.6	178.8	-157.9	3.8	113.1	E1303 L1305 Y1311	E1303-R1307 PolarHBondContact O-N 2.9Å; L1305-R1307 PolarHBondContact O-N 2.97Å; R1307-Y1311 WeakPolarHBondContact O-CD2 3.48Å
1308	R	42.2	Very low	46.4	Very low	155 Å²	155	106.9 Å²	106.9	59%	0.585	54%	0.541	S	S	*	.	H	α-helix	trans	-78.3	-39.4	174.9	-116	176.4	175.4	172.1	-1.1	112.6	L1305 N1306 Y1311 L1312	L1305-R1308 CarbonylContact O-C 3.6Å; L1305-R1308 WeakPolarHBondContact O-CA 3.32Å; L1305-R1308 WeakPolarHBondContact O-CB 3.31Å; L1305-R1308 PolarHBondContact O-N 2.93Å; N1306-R1308 PolarHBondContact O-N 3.38Å; R1308-Y1311 PolarHBondContact O-N 2.74Å; R1308-L1312 PolarHBondContact O-N 3.3Å
1309	L	42.2	Very low	46.8	Very low	99 Å²	99	105.6 Å²	105.6	52%	0.518	53%	0.532	S	S	.	.	H	α-helix	trans	-66.2	-39.1	175.6	-69.5	165.7	0	0	0	111.1	L1305 N1306 Y1311 L1312 S1313	L1305-L1309 PolarHBondContact O-N 3.41Å; N1306-L1309 PolarHBondContact O-N 2.89Å; L1309-Y1311 VanDerWaalsContact C-N 3.28Å; L1309-Y1311 PolarHBondContact O-N 3.3Å; L1309-L1312 WeakPolarHBondContact O-CA 3.48Å; L1309-L1312 WeakPolarHBondContact O-CB 3.14Å; L1309-L1312 PolarHBondContact O-N 3.35Å; L1309-S1313 PolarHBondContact O-N 2.88Å
1310	Y	40.2	Very low	46.8	Very low	163 Å²	163	107.7 Å²	107.7	64%	0.639	54%	0.544	S	S	*	.	H	α-helix	trans	-60.6	-32.6	174.2	-170.8	-94.9	0	0	0	113.7	N1306 L1312 S1313 K1314	N1306-Y1310 PolarHBondContact O-N 2.59Å; Y1310-L1312 VanDerWaalsContact C-N 3.32Å; Y1310-S1313 PolarHBondContact O-OG 2.95Å; Y1310-S1313 VanDerWaalsContact O-OG 3.14Å; Y1310-K1314 PolarHBondContact O-N 2.94Å
1311	Y	34	Very low	46.3	Very low	186 Å²	186	109.8 Å²	109.8	73%	0.729	56%	0.555	S	S	*	*	H	α-helix	trans	-75.5	-18.6	173.3	-98.2	-88.4	0	0	0	113.8	R1307 R1308 L1309	R1307-Y1311 WeakPolarHBondContact O-CD2 3.48Å; R1308-Y1311 PolarHBondContact O-N 2.74Å; L1309-Y1311 VanDerWaalsContact C-N 3.28Å; L1309-Y1311 PolarHBondContact O-N 3.3Å
1312	L	42	Very low	46.2	Very low	123 Å²	123	107.2 Å²	107.2	64%	0.644	56%	0.56	S	S	*	*	H	α-helix	trans	-87.8	-38.3	175	-75	161.1	0	0	0	111.5	R1308 L1309 Y1310 K1314 A1316	R1308-L1312 PolarHBondContact O-N 3.3Å; L1309-L1312 WeakPolarHBondContact O-CA 3.48Å; L1309-L1312 WeakPolarHBondContact O-CB 3.14Å; L1309-L1312 PolarHBondContact O-N 3.35Å; Y1310-L1312 VanDerWaalsContact C-N 3.32Å; L1312-K1314 PolarHBondContact O-N 2.85Å; L1312-A1316 PolarHBondContact O-N 3.08Å
1313	S	46	Very low	45.7	Very low	76 Å²	76	104.6 Å²	104.6	53%	0.531	55%	0.545	S	S	.	.	H	α-helix	trans	-65.8	-35.6	178	60	0	0	0	0	113.1	L1309 Y1310 Y1315 A1316	L1309-S1313 PolarHBondContact O-N 2.88Å; Y1310-S1313 PolarHBondContact O-OG 2.95Å; Y1310-S1313 VanDerWaalsContact O-OG 3.14Å; S1313-Y1315 PolarHBondContact O-N 3.43Å; S1313-A1316 PolarHBondContact O-N 3.35Å
1314	K	47.1	Very low	46.1	Very low	127 Å²	127	102 Å²	102	55%	0.552	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-17.4	-178.2	-173.5	161.5	-176.4	161.7	0	115.2	Y1310 L1312	Y1310-K1314 PolarHBondContact O-N 2.94Å; L1312-K1314 PolarHBondContact O-N 2.85Å
1315	Y	50.3	Low	46.4	Very low	73 Å²	73	101.3 Å²	101.3	29%	0.286	54%	0.54	S	S	.	.	T	Hydrogen-bonded Turn	trans	-134.4	17.4	178.1	-62.2	-66.8	0	0	0	113.1	S1313 F1326	S1313-Y1315 PolarHBondContact O-N 3.43Å; Y1315-F1326 HydrophobicContact CG-CB 4.47Å
1316	A	42.6	Very low	46.6	Very low	71 Å²	71	102.5 Å²	102.5	59%	0.587	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	135.7	174.6	0	0	0	0	0	110.3	L1312 S1313 Q1318	L1312-A1316 PolarHBondContact O-N 3.08Å; S1313-A1316 PolarHBondContact O-N 3.35Å; A1316-Q1318 PolarHBondContact O-N 2.82Å; A1316-Q1318 VanDerWaalsContact O-N 3.1Å
1317	G	54.8	Low	46.7	Very low	89 Å²	89	99.4 Å²	99.4	92%	0.918	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.8	-6.4	179.6	0	0	0	0	0	116.4
1318	Q	50.3	Low	46.8	Very low	106 Å²	106	95.6 Å²	95.6	50%	0.495	52%	0.516	S	S	.	.			trans	-90.6	112.4	-177.5	-68	-171.9	-9.9	0	0	112.3	A1316 P1324 C1325	A1316-Q1318 PolarHBondContact O-N 2.82Å; A1316-Q1318 VanDerWaalsContact O-N 3.1Å; Q1318-P1324 WeakPolarHBondContact O-CA 3.46Å; Q1318-C1325 HydrophobicContact CB-CB 4.37Å; Q1318-C1325 PolarHBondContact O-N 3.19Å
1319	S	54.1	Low	47	Very low	70 Å²	70	94.9 Å²	94.9	49%	0.49	52%	0.517	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	147	171.6	71.6	0	0	0	0	111.8	I1323	S1319-I1323 CarbonylContact C-O 3.52Å; S1319-I1323 VanDerWaalsContact CA-O 3.23Å; S1319-I1323 WeakPolarHBondContact CA-O 3.26Å; S1319-I1323 WeakPolarHBondContact CB-O 3.41Å
1320	N	42.2	Very low	47.5	Very low	83 Å²	83	94.3 Å²	94.3	44%	0.444	51%	0.508	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	111.7	172.7	-171.4	25.3	0	0	0	107	G1322 I1323 E1328	N1320-G1322 VanDerWaalsContact C-N 3.3Å; N1320-G1322 PolarHBondContact O-N 3.01Å; N1320-I1323 PolarHBondContact N-O 3.3Å; N1320-I1323 WeakPolarHBondContact O-CB 3.23Å; N1320-I1323 PolarHBondContact O-N 3.25Å; N1320-E1328 PolarHBondContact ND2-OE1 3.36Å
1321	N	37.5	Very low	47.9	Very low	159 Å²	159	90.7 Å²	90.7	85%	0.85	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	43.3	51.6	-170.7	-65.7	5.8	0	0	0	113.4	I1323	N1321-I1323 PolarHBondContact O-N 3.47Å; N1321-I1323 VanDerWaalsContact O-N 3.15Å
1322	G	44.1	Very low	48.6	Very low	62 Å²	62	84.5 Å²	84.5	64%	0.639	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.6	-12	-179.4	0	0	0	0	0	115.6	N1320 P1324	N1320-G1322 VanDerWaalsContact C-N 3.3Å; N1320-G1322 PolarHBondContact O-N 3.01Å; G1322-P1324 WeakPolarHBondContact O-CD 3.41Å
1323	I	42.8	Very low	48.9	Very low	61 Å²	61	83.3 Å²	83.3	31%	0.313	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	117.3	174.7	-54.9	178.3	0	0	0	108.9	S1319 N1320 N1321 C1325 V1327 E1328	S1319-I1323 CarbonylContact C-O 3.52Å; S1319-I1323 VanDerWaalsContact CA-O 3.23Å; S1319-I1323 WeakPolarHBondContact CA-O 3.26Å; S1319-I1323 WeakPolarHBondContact CB-O 3.41Å; N1320-I1323 PolarHBondContact N-O 3.3Å; N1320-I1323 WeakPolarHBondContact O-CB 3.23Å; N1320-I1323 PolarHBondContact O-N 3.25Å; N1321-I1323 PolarHBondContact O-N 3.47Å; N1321-I1323 VanDerWaalsContact O-N 3.15Å; I1323-C1325 PolarHBondContact O-N 3.13Å; I1323-V1327 HydrophobicContact CG2-CB 4.05Å; I1323-V1327 HydrophobicContact CG2-CG1 4.12Å; I1323-E1328 HydrophobicContact CG2-CG 3.92Å
1324	P	58	Low	49	Very low	49 Å²	49	83.9 Å²	83.9	32%	0.318	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	136.9	179.3	-22.5	33.7	0	0	0	111.5	Q1318 G1322 F1326 V1327	Q1318-P1324 WeakPolarHBondContact O-CA 3.46Å; G1322-P1324 WeakPolarHBondContact O-CD 3.41Å; P1324-F1326 HydrophobicContact CB-CD1 3.65Å; P1324-F1326 HydrophobicContact CB-CE1 3.46Å; P1324-F1326 VanDerWaalsContact CB-CE1 3.46Å; P1324-F1326 HydrophobicContact CB-CZ 4.32Å; P1324-F1326 HydrophobicContact CG-CE1 4.14Å; P1324-F1326 PolarHBondContact O-N 3.1Å; P1324-V1327 HydrophobicContact CB-CG2 4.12Å; P1324-V1327 HydrophobicContact CG-CG2 4.24Å; P1324-V1327 WeakPolarHBondContact O-CA 3.29Å; P1324-V1327 VanDerWaalsContact O-CB 3.27Å; P1324-V1327 WeakPolarHBondContact O-CB 3.37Å; P1324-V1327 PolarHBondContact O-N 3.13Å
1325	C	54.9	Low	48.8	Very low	33 Å²	33	80.8 Å²	80.8	22%	0.223	45%	0.452	C	S	.	.	H	α-helix	trans	-61.7	-21.8	-170.6	-59.3	0	0	0	0	113.9	Q1318 I1323 V1327 K1329	Q1318-C1325 HydrophobicContact CB-CB 4.37Å; Q1318-C1325 PolarHBondContact O-N 3.19Å; I1323-C1325 PolarHBondContact O-N 3.13Å; C1325-V1327 VanDerWaalsContact C-N 3.32Å; C1325-K1329 PolarHBondContact O-N 2.71Å
1326	F	53.3	Low	48.5	Very low	100 Å²	100	78.6 Å²	78.6	44%	0.439	45%	0.447	S	S	.	.	H	α-helix	trans	-71.2	-25.4	172.1	80	-96.9	0	0	0	113.4	Y1315 P1324 R1330	Y1315-F1326 HydrophobicContact CG-CB 4.47Å; P1324-F1326 HydrophobicContact CB-CD1 3.65Å; P1324-F1326 HydrophobicContact CB-CE1 3.46Å; P1324-F1326 VanDerWaalsContact CB-CE1 3.46Å; P1324-F1326 HydrophobicContact CB-CZ 4.32Å; P1324-F1326 HydrophobicContact CG-CE1 4.14Å; P1324-F1326 PolarHBondContact O-N 3.1Å; F1326-R1330 VanDerWaalsContact O-CB 3.24Å; F1326-R1330 WeakPolarHBondContact O-CB 3.27Å; F1326-R1330 PolarHBondContact O-N 3.07Å
1327	V	53	Low	48.8	Very low	44 Å²	44	78.3 Å²	78.3	27%	0.267	43%	0.434	S	S	.	.	H	α-helix	trans	-74.5	-47.9	178.1	179	0	0	0	0	110	I1323 P1324 C1325 K1329 R1330 L1331	I1323-V1327 HydrophobicContact CG2-CB 4.05Å; I1323-V1327 HydrophobicContact CG2-CG1 4.12Å; P1324-V1327 HydrophobicContact CB-CG2 4.12Å; P1324-V1327 HydrophobicContact CG-CG2 4.24Å; P1324-V1327 WeakPolarHBondContact O-CA 3.29Å; P1324-V1327 VanDerWaalsContact O-CB 3.27Å; P1324-V1327 WeakPolarHBondContact O-CB 3.37Å; P1324-V1327 PolarHBondContact O-N 3.13Å; C1325-V1327 VanDerWaalsContact C-N 3.32Å; V1327-K1329 PolarHBondContact O-N 3.04Å; V1327-R1330 PolarHBondContact O-N 2.94Å; V1327-L1331 HydrophobicContact CG1-CD1 3.86Å; V1327-L1331 HydrophobicContact CG1-CG 4.22Å; V1327-L1331 WeakPolarHBondContact O-CB 3.27Å; V1327-L1331 WeakPolarHBondContact O-CG 3.01Å; V1327-L1331 PolarHBondContact O-N 3.14Å
1328	E	50.5	Low	48.2	Very low	78 Å²	78	83.2 Å²	83.2	36%	0.364	43%	0.425	S	S	.	.	H	α-helix	trans	-53.4	-51.9	173.7	-67.6	-173.3	125.9	0	0	111.5	N1320 I1323 R1330 L1331 F1332	N1320-E1328 PolarHBondContact ND2-OE1 3.36Å; I1323-E1328 HydrophobicContact CG2-CG 3.92Å; E1328-R1330 VanDerWaalsContact C-N 3.26Å; E1328-R1330 PolarHBondContact O-N 3Å; E1328-L1331 PolarHBondContact O-N 3.08Å; E1328-F1332 WeakPolarHBondContact O-CB 3.46Å; E1328-F1332 PolarHBondContact O-N 2.82Å
1329	K	48.2	Very low	48	Very low	140 Å²	140	80.1 Å²	80.1	61%	0.609	41%	0.411	S	S	*	.	H	α-helix	trans	-61.7	-33.8	-178.4	-160.9	165.1	-173.3	168.2	0	112.2	C1325 V1327 H1333	C1325-K1329 PolarHBondContact O-N 2.71Å; V1327-K1329 PolarHBondContact O-N 3.04Å; K1329-H1333 WeakPolarHBondContact O-CB 3.31Å; K1329-H1333 PolarHBondContact O-N 2.81Å
1330	R	51.2	Low	47.6	Very low	87 Å²	87	84.8 Å²	84.8	33%	0.328	42%	0.418	S	S	.	.	H	α-helix	trans	-77.6	-37.5	176	-179.9	-177.3	-78.5	-155.4	-8	113.1	P49 F1326 V1327 E1328 R1334	P49-R1330 PolarHBondContact O-NH1 2.84Å; F1326-R1330 VanDerWaalsContact O-CB 3.24Å; F1326-R1330 WeakPolarHBondContact O-CB 3.27Å; F1326-R1330 PolarHBondContact O-N 3.07Å; V1327-R1330 PolarHBondContact O-N 2.94Å; E1328-R1330 VanDerWaalsContact C-N 3.26Å; E1328-R1330 PolarHBondContact O-N 3Å; R1330-R1334 PolarHBondContact O-N 3.33Å; R1330-R1334 VanDerWaalsContact O-N 3.1Å
1331	L	48.5	Very low	47.8	Very low	88 Å²	88	83 Å²	83	46%	0.461	41%	0.41	S	S	.	.	H	α-helix	trans	-64.1	-48	173.4	-75.7	171.4	0	0	0	110.2	V1327 E1328 H1333 R1334 S1335	V1327-L1331 HydrophobicContact CG1-CD1 3.86Å; V1327-L1331 HydrophobicContact CG1-CG 4.22Å; V1327-L1331 WeakPolarHBondContact O-CB 3.27Å; V1327-L1331 WeakPolarHBondContact O-CG 3.01Å; V1327-L1331 PolarHBondContact O-N 3.14Å; E1328-L1331 PolarHBondContact O-N 3.08Å; L1331-H1333 VanDerWaalsContact C-N 3.34Å; L1331-H1333 PolarHBondContact O-N 2.91Å; L1331-R1334 WeakPolarHBondContact O-CB 3.39Å; L1331-R1334 PolarHBondContact O-N 3.41Å; L1331-R1334 VanDerWaalsContact O-N 3.13Å; L1331-S1335 PolarHBondContact O-N 3.29Å; L1331-S1335 PolarHBondContact O-OG 2.99Å
1332	F	48.8	Very low	48.1	Very low	55 Å²	55	78.9 Å²	78.9	24%	0.241	39%	0.391	C	S	.	.	H	α-helix	trans	-59.9	-43.5	178.2	-167.7	-115	0	0	0	112.1	E1328 R1334 S1335 C1336 Y1389 L1390 I1393	E1328-F1332 WeakPolarHBondContact O-CB 3.46Å; E1328-F1332 PolarHBondContact O-N 2.82Å; F1332-R1334 PolarHBondContact O-N 2.9Å; F1332-S1335 WeakPolarHBondContact O-CB 3.26Å; F1332-S1335 PolarHBondContact O-N 3.36Å; F1332-S1335 VanDerWaalsContact O-N 3.17Å; F1332-C1336 PolarHBondContact O-N 2.98Å; F1332-C1336 PolarHBondContact O-SG 3.19Å; F1332-C1336 VanDerWaalsContact O-SG 3.4Å; F1332-Y1389 HydrophobicContact CD1-CE1 4.43Å; F1332-Y1389 HydrophobicContact CE1-CD1 4.11Å; F1332-Y1389 AromaticContact CE1-CE1 3.91Å; F1332-Y1389 HydrophobicContact CE1-CE1 3.91Å; F1332-L1390 HydrophobicContact CE1-CD2 4.03Å; F1332-L1390 HydrophobicContact CE2-CD2 4.49Å; F1332-L1390 HydrophobicContact CZ-CD2 3.52Å; F1332-I1393 HydrophobicContact CE1-CD1 4.43Å; F1332-I1393 HydrophobicContact CZ-CD1 4.48Å
1333	H	49.1	Very low	48.1	Very low	98 Å²	98	79.2 Å²	79.2	45%	0.454	38%	0.382	S	S	.	.	H	α-helix	trans	-60.6	-41.7	174.4	-171.4	81.3	0	0	0	112.9	K1329 L1331 S1335 C1336 Q1337	K1329-H1333 WeakPolarHBondContact O-CB 3.31Å; K1329-H1333 PolarHBondContact O-N 2.81Å; L1331-H1333 VanDerWaalsContact C-N 3.34Å; L1331-H1333 PolarHBondContact O-N 2.91Å; H1333-S1335 VanDerWaalsContact C-N 3.35Å; H1333-S1335 PolarHBondContact O-N 3.2Å; H1333-C1336 PolarHBondContact O-N 2.9Å; H1333-Q1337 PolarHBondContact CD2-NE2 2.98Å; H1333-Q1337 VanDerWaalsContact CD2-NE2 3.26Å; H1333-Q1337 PolarHBondContact NE2-NE2 2.82Å; H1333-Q1337 WeakPolarHBondContact O-CG 3.46Å; H1333-Q1337 PolarHBondContact O-N 3.47Å
1334	R	47.3	Very low	48.4	Very low	88 Å²	88	81.3 Å²	81.3	33%	0.332	39%	0.391	S	S	.	.	H	α-helix	trans	-63.2	-37.2	173.6	-80	170.6	162.1	171.8	-8.4	112.6	H47 R1330 L1331 F1332 Q1337 R1338	H47-R1334 PolarHBondContact O-NE 2.9Å; H47-R1334 PolarHBondContact O-NH2 3.27Å; R1330-R1334 PolarHBondContact O-N 3.33Å; R1330-R1334 VanDerWaalsContact O-N 3.1Å; L1331-R1334 WeakPolarHBondContact O-CB 3.39Å; L1331-R1334 PolarHBondContact O-N 3.41Å; L1331-R1334 VanDerWaalsContact O-N 3.13Å; F1332-R1334 PolarHBondContact O-N 2.9Å; R1334-Q1337 PolarHBondContact O-N 3.42Å; R1334-R1338 PolarHBondContact O-N 2.78Å
1335	S	43.3	Very low	47.8	Very low	62 Å²	62	84.1 Å²	84.1	43%	0.434	40%	0.403	S	S	.	.	H	α-helix	trans	-64.9	-45.4	174.9	-63	0	0	0	0	111.6	L1331 F1332 H1333 Q1337 R1338 I1339	L1331-S1335 PolarHBondContact O-N 3.29Å; L1331-S1335 PolarHBondContact O-OG 2.99Å; F1332-S1335 WeakPolarHBondContact O-CB 3.26Å; F1332-S1335 PolarHBondContact O-N 3.36Å; F1332-S1335 VanDerWaalsContact O-N 3.17Å; H1333-S1335 VanDerWaalsContact C-N 3.35Å; H1333-S1335 PolarHBondContact O-N 3.2Å; S1335-Q1337 VanDerWaalsContact C-N 3.35Å; S1335-Q1337 PolarHBondContact O-N 2.94Å; S1335-R1338 PolarHBondContact O-N 3.06Å; S1335-I1339 WeakPolarHBondContact O-CG1 3.45Å; S1335-I1339 PolarHBondContact O-N 2.92Å
1336	C	43.7	Very low	47.1	Very low	28 Å²	28	85.2 Å²	85.2	19%	0.189	41%	0.406	C	S	.	.	H	α-helix	trans	-60.5	-41.5	174.1	-63.6	0	0	0	0	112.3	F1332 H1333 I1339 R1340	F1332-C1336 PolarHBondContact O-N 2.98Å; F1332-C1336 PolarHBondContact O-SG 3.19Å; F1332-C1336 VanDerWaalsContact O-SG 3.4Å; H1333-C1336 PolarHBondContact O-N 2.9Å; C1336-I1339 PolarHBondContact O-N 3.03Å; C1336-R1340 WeakPolarHBondContact O-CB 3.46Å; C1336-R1340 PolarHBondContact O-N 2.91Å
1337	Q	49	Very low	46.6	Very low	65 Å²	65	83.7 Å²	83.7	30%	0.304	40%	0.402	S	S	.	.	H	α-helix	trans	-60.8	-42.4	173.5	-74	-179.4	-4.1	0	0	112.5	H1333 R1334 S1335 R1340 T1341	H1333-Q1337 PolarHBondContact CD2-NE2 2.98Å; H1333-Q1337 VanDerWaalsContact CD2-NE2 3.26Å; H1333-Q1337 PolarHBondContact NE2-NE2 2.82Å; H1333-Q1337 WeakPolarHBondContact O-CG 3.46Å; H1333-Q1337 PolarHBondContact O-N 3.47Å; R1334-Q1337 PolarHBondContact O-N 3.42Å; S1335-Q1337 VanDerWaalsContact C-N 3.35Å; S1335-Q1337 PolarHBondContact O-N 2.94Å; Q1337-R1340 PolarHBondContact O-N 3.29Å; Q1337-T1341 WeakPolarHBondContact O-CB 3.23Å; Q1337-T1341 PolarHBondContact O-N 3.35Å; Q1337-T1341 PolarHBondContact O-OG1 3.3Å
1338	R	42.9	Very low	46.1	Very low	192 Å²	192	86.2 Å²	86.2	73%	0.725	41%	0.414	S	S	*	.	H	α-helix	trans	-63.2	-46.4	176.2	-88.7	-179.1	156.5	179.9	-7.9	112.1	R1334 S1335 R1340 T1341 V1342	R1334-R1338 PolarHBondContact O-N 2.78Å; S1335-R1338 PolarHBondContact O-N 3.06Å; R1338-R1340 PolarHBondContact O-N 3.2Å; R1338-T1341 PolarHBondContact O-N 3.19Å; R1338-V1342 WeakPolarHBondContact O-CG2 3.22Å; R1338-V1342 PolarHBondContact O-N 3.42Å
1339	I	45.2	Very low	45.8	Very low	41 Å²	41	88.1 Å²	88.1	21%	0.21	43%	0.431	C	S	.	.	H	α-helix	trans	-62.1	-45.2	178.4	-66.4	170.8	0	0	0	110.2	S1335 C1336 T1341 V1342 C1343 F1360 F1364	S1335-I1339 WeakPolarHBondContact O-CG1 3.45Å; S1335-I1339 PolarHBondContact O-N 2.92Å; C1336-I1339 PolarHBondContact O-N 3.03Å; I1339-T1341 VanDerWaalsContact C-N 3.34Å; I1339-T1341 PolarHBondContact O-N 3.06Å; I1339-V1342 PolarHBondContact O-N 3.12Å; I1339-C1343 PolarHBondContact O-N 3.3Å; I1339-C1343 PolarHBondContact O-SG 2.73Å; I1339-F1360 HydrophobicContact CG2-CE1 4.45Å; I1339-F1360 HydrophobicContact CG2-CZ 4.48Å; I1339-F1364 HydrophobicContact CD1-CD2 3.82Å; I1339-F1364 HydrophobicContact CD1-CE2 3.38Å; I1339-F1364 HydrophobicContact CD1-CZ 3.83Å; I1339-F1364 HydrophobicContact CG2-CE1 4.31Å; I1339-F1364 HydrophobicContact CG2-CZ 4.36Å
1340	R	45.6	Very low	45.9	Very low	167 Å²	167	87 Å²	87	63%	0.63	43%	0.426	S	S	*	.	H	α-helix	trans	-57	-45.8	172.7	178.6	173.5	173	150	10.8	112.1	C1336 Q1337 R1338 V1342 C1343 E1344	C1336-R1340 WeakPolarHBondContact O-CB 3.46Å; C1336-R1340 PolarHBondContact O-N 2.91Å; Q1337-R1340 PolarHBondContact O-N 3.29Å; R1338-R1340 PolarHBondContact O-N 3.2Å; R1340-V1342 VanDerWaalsContact C-N 3.3Å; R1340-V1342 PolarHBondContact O-N 3.32Å; R1340-C1343 PolarHBondContact O-N 2.84Å; R1340-E1344 HydrophobicContact CG-CG 4.29Å; R1340-E1344 IonicContact CZ-OE1 3.03Å; R1340-E1344 VanDerWaalsContact CZ-OE1 3.25Å; R1340-E1344 IonicContact NE-OE1 2.83Å; R1340-E1344 PolarHBondContact NE-OE1 2.83Å; R1340-E1344 IonicContact NE-OE2 2.87Å; R1340-E1344 IonicContact NH2-OE1 3.58Å; R1340-E1344 PolarHBondContact NH2-OE1 2.86Å; R1340-E1344 WeakPolarHBondContact O-CB 3.49Å; R1340-E1344 VanDerWaalsContact O-CG 3.3Å; R1340-E1344 WeakPolarHBondContact O-CG 3.45Å; R1340-E1344 PolarHBondContact O-N 2.97Å
1341	T	47.6	Very low	45.7	Very low	47 Å²	47	87.7 Å²	87.7	29%	0.288	44%	0.444	S	S	.	.	H	α-helix	trans	-63.5	-35.6	178.2	-52.3	0	0	0	0	111.8	Q1337 R1338 I1339 N1345	Q1337-T1341 WeakPolarHBondContact O-CB 3.23Å; Q1337-T1341 PolarHBondContact O-N 3.35Å; Q1337-T1341 PolarHBondContact O-OG1 3.3Å; R1338-T1341 PolarHBondContact O-N 3.19Å; I1339-T1341 VanDerWaalsContact C-N 3.34Å; I1339-T1341 PolarHBondContact O-N 3.06Å; T1341-N1345 PolarHBondContact O-ND2 2.99Å
1342	V	43	Very low	46.2	Very low	72 Å²	72	92 Å²	92	44%	0.436	46%	0.462	S	S	.	.	H	α-helix	trans	-65.3	-50.6	173	169	0	0	0	0	110.2	R1338 I1339 R1340 E1344 N1345 I1346	R1338-V1342 WeakPolarHBondContact O-CG2 3.22Å; R1338-V1342 PolarHBondContact O-N 3.42Å; I1339-V1342 PolarHBondContact O-N 3.12Å; R1340-V1342 VanDerWaalsContact C-N 3.3Å; R1340-V1342 PolarHBondContact O-N 3.32Å; V1342-E1344 VanDerWaalsContact C-N 3.28Å; V1342-E1344 PolarHBondContact O-N 3.4Å; V1342-N1345 PolarHBondContact O-N 3.49Å; V1342-N1345 VanDerWaalsContact O-N 3.13Å; V1342-I1346 HydrophobicContact CG1-CD1 3.98Å; V1342-I1346 WeakPolarHBondContact O-CG1 3.3Å
1343	C	45.3	Very low	46.6	Very low	68 Å²	68	91.1 Å²	91.1	46%	0.459	46%	0.462	S	S	.	.	H	α-helix	trans	-59.6	-35.8	178.1	-61.9	0	0	0	0	113.3	I1339 R1340 N1345	I1339-C1343 PolarHBondContact O-N 3.3Å; I1339-C1343 PolarHBondContact O-SG 2.73Å; R1340-C1343 PolarHBondContact O-N 2.84Å; C1343-N1345 VanDerWaalsContact C-N 3.26Å; C1343-N1345 PolarHBondContact O-N 3.36Å
1344	E	47.3	Very low	47.1	Very low	105 Å²	105	87.9 Å²	87.9	49%	0.491	45%	0.447	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-6.3	178.9	-74	172.3	162.6	0	0	114.4	R1340 V1342	R1340-E1344 HydrophobicContact CG-CG 4.29Å; R1340-E1344 IonicContact CZ-OE1 3.03Å; R1340-E1344 VanDerWaalsContact CZ-OE1 3.25Å; R1340-E1344 IonicContact NE-OE1 2.83Å; R1340-E1344 PolarHBondContact NE-OE1 2.83Å; R1340-E1344 IonicContact NE-OE2 2.87Å; R1340-E1344 IonicContact NH2-OE1 3.58Å; R1340-E1344 PolarHBondContact NH2-OE1 2.86Å; R1340-E1344 WeakPolarHBondContact O-CB 3.49Å; R1340-E1344 VanDerWaalsContact O-CG 3.3Å; R1340-E1344 WeakPolarHBondContact O-CG 3.45Å; R1340-E1344 PolarHBondContact O-N 2.97Å; V1342-E1344 VanDerWaalsContact C-N 3.28Å; V1342-E1344 PolarHBondContact O-N 3.4Å
1345	N	45.5	Very low	48.1	Very low	108 Å²	108	89.5 Å²	89.5	58%	0.578	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-128	21.7	-174.2	-69.5	-95	0	0	0	113.9	T1341 V1342 C1343	T1341-N1345 PolarHBondContact O-ND2 2.99Å; V1342-N1345 PolarHBondContact O-N 3.49Å; V1342-N1345 VanDerWaalsContact O-N 3.13Å; C1343-N1345 VanDerWaalsContact C-N 3.26Å; C1343-N1345 PolarHBondContact O-N 3.36Å
1346	I	40	Very low	49	Very low	57 Å²	57	89.4 Å²	89.4	29%	0.292	46%	0.461	S	S	.	.			trans	-99.9	127.6	178.1	-66.5	162.2	0	0	0	111.7	V1342 L1348 T1353 Q1357	V1342-I1346 HydrophobicContact CG1-CD1 3.98Å; V1342-I1346 WeakPolarHBondContact O-CG1 3.3Å; I1346-L1348 PolarHBondContact O-N 2.99Å; I1346-T1353 HydrophobicContact CG2-CG2 3.38Å; I1346-Q1357 HydrophobicContact CD1-CG 4.33Å; I1346-Q1357 HydrophobicContact CG2-CG 4.19Å; I1346-Q1357 VanDerWaalsContact CG2-NE2 3.34Å
1347	D	43.3	Very low	49.8	Very low	67 Å²	67	89.1 Å²	89.1	36%	0.358	46%	0.457	S	S	.	.			trans	-79.1	112.8	173.2	176.4	3	0	0	0	111.3	T1349 K1350	D1347-T1349 VanDerWaalsContact C-N 3.3Å; D1347-T1349 PolarHBondContact O-N 2.79Å; D1347-T1349 WeakPolarHBondContact OD1-CB 3.36Å; D1347-T1349 PolarHBondContact OD1-N 3.11Å; D1347-T1349 PolarHBondContact OD1-OG1 3.09Å; D1347-T1349 PolarHBondContact OD2-OG1 2.85Å; D1347-K1350 WeakPolarHBondContact OD2-CE 3.36Å; D1347-K1350 IonicContact OD2-NZ 2.66Å; D1347-K1350 PolarHBondContact OD2-NZ 2.9Å
1348	L	42.3	Very low	51	Low	97 Å²	97	91.3 Å²	91.3	51%	0.508	46%	0.462	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-9	-177.2	-69.2	166.1	0	0	0	114.2	I1346 K1350	I1346-L1348 PolarHBondContact O-N 2.99Å; L1348-K1350 PolarHBondContact O-N 3.18Å
1349	T	44.3	Very low	52.5	Low	118 Å²	118	89 Å²	89	72%	0.724	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.9	7.5	-172.2	66.6	0	0	0	0	114.8	D1347	D1347-T1349 VanDerWaalsContact C-N 3.3Å; D1347-T1349 PolarHBondContact O-N 2.79Å; D1347-T1349 WeakPolarHBondContact OD1-CB 3.36Å; D1347-T1349 PolarHBondContact OD1-N 3.11Å; D1347-T1349 PolarHBondContact OD1-OG1 3.09Å; D1347-T1349 PolarHBondContact OD2-OG1 2.85Å
1350	K	50.5	Low	53.7	Low	116 Å²	116	90.8 Å²	90.8	50%	0.504	46%	0.464	S	S	.	.			trans	-127.3	114.2	-167.5	-77.6	161.5	-178.7	150.5	0	111.6	D1347 L1348 Q1352 T1353	D1347-K1350 WeakPolarHBondContact OD2-CE 3.36Å; D1347-K1350 IonicContact OD2-NZ 2.66Å; D1347-K1350 PolarHBondContact OD2-NZ 2.9Å; L1348-K1350 PolarHBondContact O-N 3.18Å; K1350-Q1352 VanDerWaalsContact C-N 3.33Å; K1350-Q1352 PolarHBondContact O-N 3.46Å; K1350-T1353 VanDerWaalsContact CB-OG1 3.23Å; K1350-T1353 WeakPolarHBondContact CB-OG1 3.48Å; K1350-T1353 WeakPolarHBondContact O-CA 3.38Å; K1350-T1353 WeakPolarHBondContact O-CB 3.47Å; K1350-T1353 PolarHBondContact O-N 2.85Å; K1350-T1353 PolarHBondContact O-OG1 2.68Å; K1350-T1353 VanDerWaalsContact O-OG1 3.13Å
1351	S	47.8	Very low	54.9	Low	102 Å²	102	83.5 Å²	83.5	71%	0.713	44%	0.438	S	S	*	.	H	α-helix	trans	-51.5	-43.5	-176.5	171.1	0	0	0	0	114.4	T1353 I1354	S1351-T1353 PolarHBondContact O-N 3.25Å; S1351-I1354 PolarHBondContact O-N 3.32Å; S1351-I1354 VanDerWaalsContact O-N 3.15Å
1352	Q	58.5	Low	56.5	Low	179 Å²	179	84.7 Å²	84.7	84%	0.836	44%	0.44	S	S	*	.	H	α-helix	trans	-61.8	-28.3	178	-67.8	-179.8	-8.2	0	0	112.8	K1350 A1356	K1350-Q1352 VanDerWaalsContact C-N 3.33Å; K1350-Q1352 PolarHBondContact O-N 3.46Å; Q1352-A1356 PolarHBondContact O-N 3.47Å
1353	T	57.4	Low	58.1	Low	37 Å²	37	85.2 Å²	85.2	23%	0.227	44%	0.438	C	S	.	.	H	α-helix	trans	-69.8	-36	177.8	-41.1	0	0	0	0	111.7	I1346 K1350 S1351 H1355 A1356 Q1357	I1346-T1353 HydrophobicContact CG2-CG2 3.38Å; K1350-T1353 VanDerWaalsContact CB-OG1 3.23Å; K1350-T1353 WeakPolarHBondContact CB-OG1 3.48Å; K1350-T1353 WeakPolarHBondContact O-CA 3.38Å; K1350-T1353 WeakPolarHBondContact O-CB 3.47Å; K1350-T1353 PolarHBondContact O-N 2.85Å; K1350-T1353 PolarHBondContact O-OG1 2.68Å; K1350-T1353 VanDerWaalsContact O-OG1 3.13Å; S1351-T1353 PolarHBondContact O-N 3.25Å; T1353-H1355 PolarHBondContact O-N 3.43Å; T1353-A1356 PolarHBondContact O-N 3.17Å; T1353-Q1357 HydrophobicContact CG2-CG 4.39Å; T1353-Q1357 WeakPolarHBondContact O-CB 3.33Å; T1353-Q1357 VanDerWaalsContact O-CG 3.31Å; T1353-Q1357 WeakPolarHBondContact O-CG 3.08Å; T1353-Q1357 PolarHBondContact O-N 3.03Å
1354	I	60.4	Low	59.5	Low	29 Å²	29	84.1 Å²	84.1	15%	0.149	43%	0.426	C	S	.	.	H	α-helix	trans	-67.8	-38.8	-176.3	-47.2	-179.5	0	0	0	111.1	S1351 Q1357 R1358 I1404 F1408	S1351-I1354 PolarHBondContact O-N 3.32Å; S1351-I1354 VanDerWaalsContact O-N 3.15Å; I1354-Q1357 PolarHBondContact O-N 2.84Å; I1354-R1358 PolarHBondContact O-N 3.15Å; I1354-I1404 HydrophobicContact CG2-CG2 4Å; I1354-F1408 HydrophobicContact CB-CE2 4.28Å; I1354-F1408 HydrophobicContact CG2-CD2 3.85Å; I1354-F1408 HydrophobicContact CG2-CE2 3.69Å
1355	H	67.5	Low	61.1	Low	123 Å²	123	79.2 Å²	79.2	57%	0.569	40%	0.403	S	S	*	.	H	α-helix	trans	-65.4	-40.9	172.8	-172.8	89.1	0	0	0	112	T1353 R1358 K1359	T1353-H1355 PolarHBondContact O-N 3.43Å; H1355-R1358 PolarHBondContact O-N 2.94Å; H1355-K1359 PolarHBondContact O-N 3.08Å
1356	A	62	Low	62.7	Low	59 Å²	59	77.7 Å²	77.7	49%	0.488	39%	0.394	S	S	.	.	H	α-helix	trans	-65.4	-41	175.5	0	0	0	0	0	112.3	Q1352 T1353 K1359 F1360	Q1352-A1356 PolarHBondContact O-N 3.47Å; T1353-A1356 PolarHBondContact O-N 3.17Å; A1356-K1359 PolarHBondContact O-N 3.09Å; A1356-F1360 WeakPolarHBondContact O-CB 3.47Å; A1356-F1360 PolarHBondContact O-N 2.86Å
1357	Q	59.9	Low	64.4	Low	22 Å²	22	79 Å²	79	10%	0.103	40%	0.402	C	S	.	.	H	α-helix	trans	-59	-47.7	172.5	-76	171.6	-53.2	0	0	111.1	I1346 T1353 I1354 K1359 F1360 V1361 I1404	I1346-Q1357 HydrophobicContact CD1-CG 4.33Å; I1346-Q1357 HydrophobicContact CG2-CG 4.19Å; I1346-Q1357 VanDerWaalsContact CG2-NE2 3.34Å; T1353-Q1357 HydrophobicContact CG2-CG 4.39Å; T1353-Q1357 WeakPolarHBondContact O-CB 3.33Å; T1353-Q1357 VanDerWaalsContact O-CG 3.31Å; T1353-Q1357 WeakPolarHBondContact O-CG 3.08Å; T1353-Q1357 PolarHBondContact O-N 3.03Å; I1354-Q1357 PolarHBondContact O-N 2.84Å; Q1357-K1359 PolarHBondContact O-N 2.8Å; Q1357-F1360 PolarHBondContact O-N 3.46Å; Q1357-V1361 WeakPolarHBondContact O-CB 3.35Å; Q1357-V1361 WeakPolarHBondContact O-CG2 3.37Å; Q1357-V1361 PolarHBondContact O-N 2.84Å; Q1357-I1404 HydrophobicContact CB-CD1 3.89Å; Q1357-I1404 HydrophobicContact CB-CG1 4.31Å
1358	R	75	Confident	66.1	Low	112 Å²	112	76.1 Å²	76.1	42%	0.423	39%	0.386	S	S	.	.	H	α-helix	trans	-58.1	-48.6	176.7	-176.9	174.9	166.9	173.6	-5.1	111.6	I1354 H1355 Q1362 L1401 I1404	I1354-R1358 PolarHBondContact O-N 3.15Å; H1355-R1358 PolarHBondContact O-N 2.94Å; R1358-Q1362 VanDerWaalsContact O-CB 3.27Å; R1358-Q1362 WeakPolarHBondContact O-CB 3.42Å; R1358-Q1362 PolarHBondContact O-N 2.94Å; R1358-L1401 HydrophobicContact CG-CD1 4.38Å; R1358-I1404 HydrophobicContact CB-CG2 3.8Å
1359	K	73.4	Confident	68.1	Low	142 Å²	142	75 Å²	75	62%	0.617	38%	0.379	S	S	*	.	H	α-helix	trans	-63.2	-42.9	179	-169.7	169.7	-177.7	173.8	0	111.8	H1355 A1356 Q1357 Q1363	H1355-K1359 PolarHBondContact O-N 3.08Å; A1356-K1359 PolarHBondContact O-N 3.09Å; Q1357-K1359 PolarHBondContact O-N 2.8Å; K1359-Q1363 WeakPolarHBondContact O-CB 3.38Å; K1359-Q1363 PolarHBondContact O-N 3.06Å
1360	F	71.6	Confident	69.8	Low	80 Å²	80	73.4 Å²	73.4	35%	0.351	37%	0.369	S	S	.	.	H	α-helix	trans	-64.4	-49.1	178.2	177.6	-99.7	0	0	0	113	I1339 A1356 Q1357 Q1363 F1364	I1339-F1360 HydrophobicContact CG2-CE1 4.45Å; I1339-F1360 HydrophobicContact CG2-CZ 4.48Å; A1356-F1360 WeakPolarHBondContact O-CB 3.47Å; A1356-F1360 PolarHBondContact O-N 2.86Å; Q1357-F1360 PolarHBondContact O-N 3.46Å; F1360-Q1363 PolarHBondContact O-N 2.8Å; F1360-F1364 WeakPolarHBondContact O-CB 3.29Å; F1360-F1364 PolarHBondContact O-N 2.84Å
1361	V	71.1	Confident	70.9	Confident	13 Å²	13	72.7 Å²	72.7	8%	0.079	37%	0.366	C	S	.	.	H	α-helix	trans	-67.8	-37.5	-179	175.9	0	0	0	0	111.1	Q1357 F1364 I1365 A1397 Q1400 L1401 I1404	Q1357-V1361 WeakPolarHBondContact O-CB 3.35Å; Q1357-V1361 WeakPolarHBondContact O-CG2 3.37Å; Q1357-V1361 PolarHBondContact O-N 2.84Å; V1361-F1364 PolarHBondContact O-N 3.06Å; V1361-I1365 HydrophobicContact CG1-CD1 3.9Å; V1361-I1365 HydrophobicContact CG1-CG1 4.47Å; V1361-I1365 WeakPolarHBondContact O-CB 3.44Å; V1361-I1365 VanDerWaalsContact O-CG1 3.3Å; V1361-I1365 WeakPolarHBondContact O-CG1 3.41Å; V1361-I1365 PolarHBondContact O-N 3.16Å; V1361-A1397 WeakPolarHBondContact CG1-O 3.21Å; V1361-Q1400 HydrophobicContact CG1-CB 4.5Å; V1361-L1401 HydrophobicContact CB-CD1 4.46Å; V1361-L1401 HydrophobicContact CG1-CB 3.89Å; V1361-L1401 HydrophobicContact CG1-CD1 4.23Å; V1361-I1404 HydrophobicContact CB-CD1 4.17Å; V1361-I1404 HydrophobicContact CG2-CD1 3.68Å
1362	Q	81.5	Confident	72.5	Confident	72 Å²	72	68.1 Å²	68.1	34%	0.336	33%	0.333	S	S	.	.	H	α-helix	trans	-61.2	-48.2	172.8	-170.9	66	63.9	0	0	111.6	R1358 F1364 I1365 N1366	R1358-Q1362 VanDerWaalsContact O-CB 3.27Å; R1358-Q1362 WeakPolarHBondContact O-CB 3.42Å; R1358-Q1362 PolarHBondContact O-N 2.94Å; Q1362-F1364 VanDerWaalsContact C-N 3.28Å; Q1362-F1364 PolarHBondContact O-N 3.2Å; Q1362-I1365 PolarHBondContact O-N 2.92Å; Q1362-N1366 PolarHBondContact NE2-OD1 3.34Å; Q1362-N1366 PolarHBondContact O-N 2.91Å; Q1362-N1366 PolarHBondContact O-OD1 2.96Å
1363	Q	74.7	Confident	73.7	Confident	83 Å²	83	62 Å²	62	39%	0.388	31%	0.31	S	S	.	.	H	α-helix	trans	-63.1	-35.1	178.7	-167.3	173.1	17.7	0	0	112.2	Y1166 K1359 F1360 N1367	Y1166-Q1363 PolarHBondContact OH-NE2 3.11Å; K1359-Q1363 WeakPolarHBondContact O-CB 3.38Å; K1359-Q1363 PolarHBondContact O-N 3.06Å; F1360-Q1363 PolarHBondContact O-N 2.8Å; Q1363-N1367 WeakPolarHBondContact O-CB 3.4Å; Q1363-N1367 VanDerWaalsContact O-CG 3.28Å; Q1363-N1367 PolarHBondContact O-N 2.89Å; Q1363-N1367 VanDerWaalsContact O-N 3.11Å
1364	F	74.7	Confident	74.5	Confident	46 Å²	46	64.2 Å²	64.2	20%	0.202	32%	0.321	C	S	.	.	H	α-helix	trans	-67.7	-40.7	173.8	180	-127.8	0	0	0	113	I1339 F1360 V1361 Q1362 N1367 L1368 I1393 A1397	I1339-F1364 HydrophobicContact CD1-CD2 3.82Å; I1339-F1364 HydrophobicContact CD1-CE2 3.38Å; I1339-F1364 HydrophobicContact CD1-CZ 3.83Å; I1339-F1364 HydrophobicContact CG2-CE1 4.31Å; I1339-F1364 HydrophobicContact CG2-CZ 4.36Å; F1360-F1364 WeakPolarHBondContact O-CB 3.29Å; F1360-F1364 PolarHBondContact O-N 2.84Å; V1361-F1364 PolarHBondContact O-N 3.06Å; Q1362-F1364 VanDerWaalsContact C-N 3.28Å; Q1362-F1364 PolarHBondContact O-N 3.2Å; F1364-N1367 PolarHBondContact O-N 2.62Å; F1364-L1368 HydrophobicContact CD1-CD1 4.06Å; F1364-L1368 HydrophobicContact CD2-CD1 4.32Å; F1364-L1368 HydrophobicContact CD2-CG 4.35Å; F1364-L1368 HydrophobicContact CE1-CD1 3.7Å; F1364-L1368 HydrophobicContact CE2-CD1 3.96Å; F1364-L1368 HydrophobicContact CE2-CD2 4.31Å; F1364-L1368 HydrophobicContact CE2-CG 4.01Å; F1364-L1368 HydrophobicContact CG-CD1 4.38Å; F1364-L1368 HydrophobicContact CZ-CD1 3.66Å; F1364-L1368 HydrophobicContact CZ-CD2 4.39Å; F1364-L1368 HydrophobicContact CZ-CG 4.17Å; F1364-L1368 WeakPolarHBondContact O-CG 3.41Å; F1364-L1368 PolarHBondContact O-N 2.89Å; F1364-I1393 HydrophobicContact CE1-CG2 3.94Å; F1364-I1393 HydrophobicContact CZ-CG2 3.61Å; F1364-A1397 HydrophobicContact CD1-CB 3.96Å; F1364-A1397 HydrophobicContact CE1-CB 4.04Å
1365	I	81.4	Confident	75.2	Confident	2 Å²	2	64.4 Å²	64.4	1%	0.01	32%	0.322	C	S	.	.	H	α-helix	trans	-60.6	-48.9	174.3	-75.8	166.8	0	0	0	110.6	V1361 Q1362 N1367 L1368 E1369 A1397 K1398 L1401	V1361-I1365 HydrophobicContact CG1-CD1 3.9Å; V1361-I1365 HydrophobicContact CG1-CG1 4.47Å; V1361-I1365 WeakPolarHBondContact O-CB 3.44Å; V1361-I1365 VanDerWaalsContact O-CG1 3.3Å; V1361-I1365 WeakPolarHBondContact O-CG1 3.41Å; V1361-I1365 PolarHBondContact O-N 3.16Å; Q1362-I1365 PolarHBondContact O-N 2.92Å; I1365-N1367 PolarHBondContact O-N 2.86Å; I1365-L1368 WeakPolarHBondContact O-CB 3.46Å; I1365-L1368 PolarHBondContact O-N 3.46Å; I1365-L1368 VanDerWaalsContact O-N 3.14Å; I1365-E1369 PolarHBondContact O-N 2.81Å; I1365-A1397 HydrophobicContact CD1-CB 4.26Å; I1365-A1397 HydrophobicContact CG1-CB 3.68Å; I1365-K1398 HydrophobicContact CD1-CG 3.99Å; I1365-K1398 HydrophobicContact CG1-CG 4.47Å; I1365-L1401 HydrophobicContact CD1-CB 3.85Å; I1365-L1401 HydrophobicContact CD1-CD2 3.75Å; I1365-L1401 HydrophobicContact CD1-CG 4.32Å
1366	N	80.6	Confident	75.6	Confident	76 Å²	76	66.3 Å²	66.3	41%	0.406	32%	0.324	S	S	.	.	H	α-helix	trans	-58.1	-48.3	178.9	-65.4	20.5	0	0	0	110.8	Q1362 L1368 E1369 T1370	Q1362-N1366 PolarHBondContact NE2-OD1 3.34Å; Q1362-N1366 PolarHBondContact O-N 2.91Å; Q1362-N1366 PolarHBondContact O-OD1 2.96Å; N1366-L1368 VanDerWaalsContact C-N 3.3Å; N1366-L1368 PolarHBondContact O-N 2.87Å; N1366-E1369 PolarHBondContact O-N 2.97Å; N1366-E1369 VanDerWaalsContact O-N 3.13Å; N1366-T1370 PolarHBondContact O-N 2.94Å; N1366-T1370 PolarHBondContact O-OG1 2.91Å
1367	N	74.5	Confident	76.3	Confident	83 Å²	83	72.4 Å²	72.4	44%	0.444	33%	0.334	S	S	.	.	H	α-helix	trans	-62.7	-32.5	178	-72	-7.3	0	0	0	113.3	Q1363 F1364 I1365 K1371	Q1363-N1367 WeakPolarHBondContact O-CB 3.4Å; Q1363-N1367 VanDerWaalsContact O-CG 3.28Å; Q1363-N1367 PolarHBondContact O-N 2.89Å; Q1363-N1367 VanDerWaalsContact O-N 3.11Å; F1364-N1367 PolarHBondContact O-N 2.62Å; I1365-N1367 PolarHBondContact O-N 2.86Å; N1367-K1371 WeakPolarHBondContact O-CB 3.26Å; N1367-K1371 PolarHBondContact O-N 3.08Å; N1367-K1371 VanDerWaalsContact O-N 3.16Å
1368	L	78.3	Confident	76.6	Confident	7 Å²	7	74.7 Å²	74.7	4%	0.037	35%	0.35	C	S	.	.	H	α-helix	trans	-69.5	-41.3	172.2	-76.6	167.2	0	0	0	112	F1364 I1365 N1366 K1371 M1372 L1390 I1393 A1397	F1364-L1368 HydrophobicContact CD1-CD1 4.06Å; F1364-L1368 HydrophobicContact CD2-CD1 4.32Å; F1364-L1368 HydrophobicContact CD2-CG 4.35Å; F1364-L1368 HydrophobicContact CE1-CD1 3.7Å; F1364-L1368 HydrophobicContact CE2-CD1 3.96Å; F1364-L1368 HydrophobicContact CE2-CD2 4.31Å; F1364-L1368 HydrophobicContact CE2-CG 4.01Å; F1364-L1368 HydrophobicContact CG-CD1 4.38Å; F1364-L1368 HydrophobicContact CZ-CD1 3.66Å; F1364-L1368 HydrophobicContact CZ-CD2 4.39Å; F1364-L1368 HydrophobicContact CZ-CG 4.17Å; F1364-L1368 WeakPolarHBondContact O-CG 3.41Å; F1364-L1368 PolarHBondContact O-N 2.89Å; I1365-L1368 WeakPolarHBondContact O-CB 3.46Å; I1365-L1368 PolarHBondContact O-N 3.46Å; I1365-L1368 VanDerWaalsContact O-N 3.14Å; N1366-L1368 VanDerWaalsContact C-N 3.3Å; N1366-L1368 PolarHBondContact O-N 2.87Å; L1368-K1371 PolarHBondContact O-N 2.95Å; L1368-M1372 WeakPolarHBondContact O-CB 3.4Å; L1368-M1372 WeakPolarHBondContact O-CG 3.41Å; L1368-M1372 PolarHBondContact O-N 2.65Å; L1368-L1390 HydrophobicContact CD2-CD2 3.78Å; L1368-I1393 HydrophobicContact CD1-CG2 3.82Å; L1368-I1393 HydrophobicContact CD2-CG2 4.13Å; L1368-A1397 HydrophobicContact CD1-CB 4.31Å
1369	E	85.7	Confident	75.5	Confident	75 Å²	75	77.7 Å²	77.7	35%	0.35	37%	0.374	S	S	.	.	H	α-helix	trans	-66.3	-42.2	179	-73.4	177.7	152.8	0	0	111.2	I1365 N1366 K1371 M1372 S1373 H1394 K1398	I1365-E1369 PolarHBondContact O-N 2.81Å; N1366-E1369 PolarHBondContact O-N 2.97Å; N1366-E1369 VanDerWaalsContact O-N 3.13Å; E1369-K1371 PolarHBondContact O-N 2.76Å; E1369-M1372 HydrophobicContact CG-CE 4.21Å; E1369-M1372 PolarHBondContact O-N 3.41Å; E1369-S1373 WeakPolarHBondContact O-CB 3.43Å; E1369-S1373 PolarHBondContact O-N 2.75Å; E1369-H1394 WeakPolarHBondContact CG-CE1 3.4Å; E1369-H1394 IonicContact OE1-CE1 3.25Å; E1369-H1394 PolarHBondContact OE1-CE1 3.25Å; E1369-H1394 IonicContact OE1-NE2 2.71Å; E1369-H1394 PolarHBondContact OE1-NE2 3.23Å; E1369-K1398 WeakPolarHBondContact OE1-CE 3.45Å; E1369-K1398 IonicContact OE1-NZ 2.89Å; E1369-K1398 PolarHBondContact OE1-NZ 3.38Å
1370	T	79	Confident	75.1	Confident	84 Å²	84	75.3 Å²	75.3	52%	0.515	37%	0.368	S	S	.	.	H	α-helix	trans	-58.1	-46.5	170.4	-50.3	0	0	0	0	111.8	N1366 S1373 N1374	N1366-T1370 PolarHBondContact O-N 2.94Å; N1366-T1370 PolarHBondContact O-OG1 2.91Å; T1370-S1373 WeakPolarHBondContact O-CB 3.46Å; T1370-S1373 PolarHBondContact O-N 2.8Å; T1370-N1374 PolarHBondContact O-N 2.98Å
1371	K	74.3	Confident	74.3	Confident	100 Å²	100	78.5 Å²	78.5	44%	0.435	39%	0.388	S	S	.	.	H	α-helix	trans	-69.3	-36.2	-178.6	-167.9	163.3	-171.4	168.2	0	112.9	N1367 L1368 E1369 L1375 L1390	N1367-K1371 WeakPolarHBondContact O-CB 3.26Å; N1367-K1371 PolarHBondContact O-N 3.08Å; N1367-K1371 VanDerWaalsContact O-N 3.16Å; L1368-K1371 PolarHBondContact O-N 2.95Å; E1369-K1371 PolarHBondContact O-N 2.76Å; K1371-L1375 HydrophobicContact CG-CD1 4.23Å; K1371-L1375 WeakPolarHBondContact O-CD1 3.29Å; K1371-L1375 WeakPolarHBondContact O-CG 3.45Å; K1371-L1375 PolarHBondContact O-N 3.38Å; K1371-L1390 HydrophobicContact CG-CD1 4.39Å
1372	M	81.7	Confident	73.7	Confident	7 Å²	7	82.2 Å²	82.2	3%	0.034	41%	0.411	C	S	.	.	H	α-helix	trans	-66.6	-37.2	171	-75.4	-163.8	-62.8	0	0	112.2	L1368 E1369 L1375 R1376 L1387 L1390 K1391 H1394	L1368-M1372 WeakPolarHBondContact O-CB 3.4Å; L1368-M1372 WeakPolarHBondContact O-CG 3.41Å; L1368-M1372 PolarHBondContact O-N 2.65Å; E1369-M1372 HydrophobicContact CG-CE 4.21Å; E1369-M1372 PolarHBondContact O-N 3.41Å; M1372-L1375 PolarHBondContact O-N 2.7Å; M1372-R1376 VanDerWaalsContact O-CG 3.32Å; M1372-R1376 WeakPolarHBondContact O-CG 3.46Å; M1372-R1376 PolarHBondContact O-N 3.35Å; M1372-R1376 VanDerWaalsContact O-N 3.08Å; M1372-L1387 HydrophobicContact CB-CD2 4.22Å; M1372-L1387 HydrophobicContact CG-CD2 4.3Å; M1372-L1390 HydrophobicContact CG-CB 3.64Å; M1372-L1390 HydrophobicContact CG-CD1 3.94Å; M1372-L1390 HydrophobicContact CG-CG 4.41Å; M1372-L1390 HydrophobicContact SD-CB 4Å; M1372-K1391 HydrophobicContact SD-CG 3.99Å; M1372-H1394 HydrophobicContact CE-CB 4.07Å
1373	S	82.5	Confident	72.9	Confident	49 Å²	49	79.9 Å²	79.9	34%	0.343	40%	0.401	S	S	.	.	H	α-helix	trans	-60.5	-49.7	176.2	-173.1	0	0	0	0	111.1	E1369 T1370 L1375 R1376 R1377	E1369-S1373 WeakPolarHBondContact O-CB 3.43Å; E1369-S1373 PolarHBondContact O-N 2.75Å; T1370-S1373 WeakPolarHBondContact O-CB 3.46Å; T1370-S1373 PolarHBondContact O-N 2.8Å; S1373-L1375 VanDerWaalsContact C-N 3.34Å; S1373-L1375 PolarHBondContact O-N 3.23Å; S1373-R1376 PolarHBondContact O-N 3.01Å; S1373-R1376 VanDerWaalsContact O-N 3.13Å; S1373-R1377 PolarHBondContact O-N 3.39Å
1374	N	75.4	Confident	72.8	Confident	85 Å²	85	80 Å²	80	46%	0.455	40%	0.403	S	S	.	.	H	α-helix	trans	-62.2	-39.2	178.8	-69.6	-5.2	0	0	0	112.6	T1370 R1376 R1377	T1370-N1374 PolarHBondContact O-N 2.98Å; N1374-R1376 VanDerWaalsContact C-N 3.31Å; N1374-R1376 PolarHBondContact O-N 3.07Å; N1374-R1377 PolarHBondContact O-N 2.82Å; N1374-R1377 PolarHBondContact OD1-NH1 3.18Å
1375	L	74	Confident	72.3	Confident	32 Å²	32	81.5 Å²	81.5	17%	0.168	41%	0.413	C	S	.	.	H	α-helix	trans	-72.8	-18.5	177.2	-73	163.8	0	0	0	114.4	K1371 M1372 S1373 T1378 N1383 V1386 L1387 L1390	K1371-L1375 HydrophobicContact CG-CD1 4.23Å; K1371-L1375 WeakPolarHBondContact O-CD1 3.29Å; K1371-L1375 WeakPolarHBondContact O-CG 3.45Å; K1371-L1375 PolarHBondContact O-N 3.38Å; M1372-L1375 PolarHBondContact O-N 2.7Å; S1373-L1375 VanDerWaalsContact C-N 3.34Å; S1373-L1375 PolarHBondContact O-N 3.23Å; L1375-T1378 PolarHBondContact O-OG1 3.11Å; L1375-T1378 VanDerWaalsContact O-OG1 3.09Å; L1375-N1383 VanDerWaalsContact CD2-OD1 3.28Å; L1375-N1383 WeakPolarHBondContact CD2-OD1 3.4Å; L1375-V1386 HydrophobicContact CD1-CG1 3.65Å; L1375-L1387 HydrophobicContact CB-CD2 3.86Å; L1375-L1387 HydrophobicContact CB-CG 4.13Å; L1375-L1390 HydrophobicContact CD1-CD1 3.35Å
1376	R	76.8	Confident	71.4	Confident	163 Å²	163	84 Å²	84	62%	0.615	43%	0.429	S	S	*	.	H	α-helix	trans	-79.3	-16.2	171.2	-74	179.3	-162.3	-164.7	9	113.3	M1372 S1373 N1374 T1378 L1387	M1372-R1376 VanDerWaalsContact O-CG 3.32Å; M1372-R1376 WeakPolarHBondContact O-CG 3.46Å; M1372-R1376 PolarHBondContact O-N 3.35Å; M1372-R1376 VanDerWaalsContact O-N 3.08Å; S1373-R1376 PolarHBondContact O-N 3.01Å; S1373-R1376 VanDerWaalsContact O-N 3.13Å; N1374-R1376 VanDerWaalsContact C-N 3.31Å; N1374-R1376 PolarHBondContact O-N 3.07Å; R1376-T1378 VanDerWaalsContact C-N 3.26Å; R1376-T1378 PolarHBondContact O-N 2.98Å; R1376-L1387 HydrophobicContact CG-CD1 4.13Å; R1376-L1387 HydrophobicContact CG-CD2 4.03Å
1377	R	75.6	Confident	71.2	Confident	187 Å²	187	81.6 Å²	81.6	71%	0.706	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.6	11.9	178.5	-66.7	172.1	171.5	158.8	-10.3	113.1	S1373 N1374	S1373-R1377 PolarHBondContact O-N 3.39Å; N1374-R1377 PolarHBondContact O-N 2.82Å; N1374-R1377 PolarHBondContact OD1-NH1 3.18Å
1378	T	67.5	Low	71.1	Confident	70 Å²	70	82.9 Å²	82.9	43%	0.429	42%	0.417	S	S	.	.	S	Bend	trans	-139	103.3	-169.8	44.4	0	0	0	0	110.7	L1375 R1376 N1380 N1383	L1375-T1378 PolarHBondContact O-OG1 3.11Å; L1375-T1378 VanDerWaalsContact O-OG1 3.09Å; R1376-T1378 VanDerWaalsContact C-N 3.26Å; R1376-T1378 PolarHBondContact O-N 2.98Å; T1378-N1380 PolarHBondContact O-N 2.59Å; T1378-N1383 WeakPolarHBondContact CB-ND2 3.37Å; T1378-N1383 PolarHBondContact O-ND2 2.94Å; T1378-N1383 PolarHBondContact OG1-ND2 2.9Å
1379	D	52	Low	70.3	Confident	176 Å²	176	86 Å²	86	94%	0.941	43%	0.429	S	S	*	.			trans	-74.2	82	-176.4	-68.5	-48.6	0	0	0	112.3
1380	N	63.3	Low	69.7	Low	91 Å²	91	82.5 Å²	82.5	49%	0.487	41%	0.413	S	S	.	.			trans	-138.9	128.7	179.7	-154.7	-54.9	0	0	0	109.8	T1378 T1382 N1383	T1378-N1380 PolarHBondContact O-N 2.59Å; N1380-T1382 VanDerWaalsContact CG-OG1 3.26Å; N1380-T1382 PolarHBondContact O-N 3.45Å; N1380-T1382 VanDerWaalsContact O-N 3.08Å; N1380-T1382 PolarHBondContact OD1-N 3.43Å; N1380-T1382 PolarHBondContact OD1-OG1 3.24Å; N1380-N1383 WeakPolarHBondContact CB-ND2 3.48Å; N1380-N1383 VanDerWaalsContact O-CB 3.31Å; N1380-N1383 WeakPolarHBondContact O-CB 3.42Å; N1380-N1383 PolarHBondContact O-N 2.81Å
1381	L	56.3	Low	69.7	Low	147 Å²	147	84.3 Å²	84.3	77%	0.77	41%	0.414	S	S	*	.	H	α-helix	trans	-53.6	-32.4	178.5	-82.2	158.9	0	0	0	112.3	N1383 I1384	L1381-N1383 VanDerWaalsContact C-N 3.25Å; L1381-N1383 PolarHBondContact O-N 3.31Å; L1381-I1384 HydrophobicContact CD2-CD1 4.13Å; L1381-I1384 PolarHBondContact O-N 3.1Å
1382	T	57	Low	69.5	Low	92 Å²	92	82.9 Å²	82.9	56%	0.564	41%	0.409	S	S	*	.	H	α-helix	trans	-62.2	-28.4	175.1	57.6	0	0	0	0	113.6	N1380 V1386	N1380-T1382 VanDerWaalsContact CG-OG1 3.26Å; N1380-T1382 PolarHBondContact O-N 3.45Å; N1380-T1382 VanDerWaalsContact O-N 3.08Å; N1380-T1382 PolarHBondContact OD1-N 3.43Å; N1380-T1382 PolarHBondContact OD1-OG1 3.24Å; T1382-V1386 WeakPolarHBondContact O-CG2 2.92Å
1383	N	66.2	Low	68.9	Low	23 Å²	23	83.7 Å²	83.7	12%	0.123	41%	0.413	C	S	.	.	H	α-helix	trans	-74.9	-24.7	177.8	-67.7	-32.1	0	0	0	112.7	L1375 T1378 N1380 L1381 D1385 V1386 L1387	L1375-N1383 VanDerWaalsContact CD2-OD1 3.28Å; L1375-N1383 WeakPolarHBondContact CD2-OD1 3.4Å; T1378-N1383 WeakPolarHBondContact CB-ND2 3.37Å; T1378-N1383 PolarHBondContact O-ND2 2.94Å; T1378-N1383 PolarHBondContact OG1-ND2 2.9Å; N1380-N1383 WeakPolarHBondContact CB-ND2 3.48Å; N1380-N1383 VanDerWaalsContact O-CB 3.31Å; N1380-N1383 WeakPolarHBondContact O-CB 3.42Å; N1380-N1383 PolarHBondContact O-N 2.81Å; L1381-N1383 VanDerWaalsContact C-N 3.25Å; L1381-N1383 PolarHBondContact O-N 3.31Å; N1383-D1385 PolarHBondContact O-N 2.82Å; N1383-V1386 PolarHBondContact O-N 2.98Å; N1383-L1387 VanDerWaalsContact O-CB 3.25Å; N1383-L1387 WeakPolarHBondContact O-CB 3.17Å; N1383-L1387 VanDerWaalsContact O-CG 3.25Å; N1383-L1387 WeakPolarHBondContact O-CG 3.42Å; N1383-L1387 PolarHBondContact O-N 2.76Å
1384	I	71.9	Confident	68.9	Low	85 Å²	85	82.5 Å²	82.5	44%	0.436	40%	0.402	S	S	.	.	H	α-helix	trans	-61.9	-45.5	-179.4	-61.7	-177.3	0	0	0	110.8	L1381 L1387 K1388	L1381-I1384 HydrophobicContact CD2-CD1 4.13Å; L1381-I1384 PolarHBondContact O-N 3.1Å; I1384-L1387 PolarHBondContact O-N 2.72Å; I1384-K1388 HydrophobicContact CG2-CD 4.5Å; I1384-K1388 WeakPolarHBondContact O-CG 3.27Å; I1384-K1388 PolarHBondContact O-N 2.83Å
1385	D	63.9	Low	69.1	Low	77 Å²	77	82.9 Å²	82.9	41%	0.412	40%	0.403	S	S	.	.	H	α-helix	trans	-73.9	-32.3	179	-70.4	-23.4	0	0	0	112.6	N1383 K1388 Y1389	N1383-D1385 PolarHBondContact O-N 2.82Å; D1385-K1388 PolarHBondContact O-N 3.45Å; D1385-K1388 IonicContact OD1-NZ 2.62Å; D1385-K1388 PolarHBondContact OD1-NZ 2.78Å; D1385-Y1389 WeakPolarHBondContact O-CB 3.2Å; D1385-Y1389 PolarHBondContact O-N 3.18Å
1386	V	63.7	Low	68.9	Low	55 Å²	55	85.2 Å²	85.2	33%	0.333	42%	0.415	S	S	.	.	H	α-helix	trans	-66.6	-39.9	171.6	-178	0	0	0	0	110.6	L1375 T1382 N1383 Y1389 L1390	L1375-V1386 HydrophobicContact CD1-CG1 3.65Å; T1382-V1386 WeakPolarHBondContact O-CG2 2.92Å; N1383-V1386 PolarHBondContact O-N 2.98Å; V1386-Y1389 WeakPolarHBondContact O-CB 3.38Å; V1386-Y1389 PolarHBondContact O-N 2.83Å; V1386-L1390 HydrophobicContact CG1-CD1 4.01Å; V1386-L1390 HydrophobicContact CG1-CG 4.32Å; V1386-L1390 WeakPolarHBondContact O-CB 3.49Å; V1386-L1390 VanDerWaalsContact O-CG 3.27Å; V1386-L1390 WeakPolarHBondContact O-CG 3.35Å; V1386-L1390 PolarHBondContact O-N 3.36Å
1387	L	74.9	Confident	68.7	Low	26 Å²	26	77.7 Å²	77.7	14%	0.136	39%	0.388	C	S	.	.	H	α-helix	trans	-67.9	-39.3	175.2	-76.1	167.9	0	0	0	112.1	M1372 L1375 R1376 N1383 I1384 Y1389 K1391	M1372-L1387 HydrophobicContact CB-CD2 4.22Å; M1372-L1387 HydrophobicContact CG-CD2 4.3Å; L1375-L1387 HydrophobicContact CB-CD2 3.86Å; L1375-L1387 HydrophobicContact CB-CG 4.13Å; R1376-L1387 HydrophobicContact CG-CD1 4.13Å; R1376-L1387 HydrophobicContact CG-CD2 4.03Å; N1383-L1387 VanDerWaalsContact O-CB 3.25Å; N1383-L1387 WeakPolarHBondContact O-CB 3.17Å; N1383-L1387 VanDerWaalsContact O-CG 3.25Å; N1383-L1387 WeakPolarHBondContact O-CG 3.42Å; N1383-L1387 PolarHBondContact O-N 2.76Å; I1384-L1387 PolarHBondContact O-N 2.72Å; L1387-Y1389 VanDerWaalsContact C-N 3.35Å; L1387-K1391 VanDerWaalsContact O-CB 3.3Å; L1387-K1391 WeakPolarHBondContact O-CB 2.96Å; L1387-K1391 VanDerWaalsContact O-CG 3.23Å; L1387-K1391 WeakPolarHBondContact O-CG 3.17Å; L1387-K1391 PolarHBondContact O-N 3.44Å
1388	K	72.7	Confident	69	Low	110 Å²	110	72.9 Å²	72.9	48%	0.478	37%	0.372	S	S	.	.	H	α-helix	trans	-59.1	-46.1	169.9	-73.3	170.9	-168.8	157.6	0	111	I1384 D1385 K1391 Q1392	I1384-K1388 HydrophobicContact CG2-CD 4.5Å; I1384-K1388 WeakPolarHBondContact O-CG 3.27Å; I1384-K1388 PolarHBondContact O-N 2.83Å; D1385-K1388 PolarHBondContact O-N 3.45Å; D1385-K1388 IonicContact OD1-NZ 2.62Å; D1385-K1388 PolarHBondContact OD1-NZ 2.78Å; K1388-K1391 PolarHBondContact O-N 2.67Å; K1388-Q1392 PolarHBondContact O-N 3.35Å
1389	Y	61.9	Low	69.3	Low	72 Å²	72	74.8 Å²	74.8	28%	0.282	37%	0.371	S	S	.	.	H	α-helix	trans	-63	-47.2	178.9	-170.2	-106.3	0	0	0	112.2	F1332 D1385 V1386 L1387 Q1392 I1393 L1439	F1332-Y1389 HydrophobicContact CD1-CE1 4.43Å; F1332-Y1389 HydrophobicContact CE1-CD1 4.11Å; F1332-Y1389 AromaticContact CE1-CE1 3.91Å; F1332-Y1389 HydrophobicContact CE1-CE1 3.91Å; D1385-Y1389 WeakPolarHBondContact O-CB 3.2Å; D1385-Y1389 PolarHBondContact O-N 3.18Å; V1386-Y1389 WeakPolarHBondContact O-CB 3.38Å; V1386-Y1389 PolarHBondContact O-N 2.83Å; L1387-Y1389 VanDerWaalsContact C-N 3.35Å; Y1389-Q1392 PolarHBondContact O-N 3.33Å; Y1389-I1393 HydrophobicContact CD1-CD1 3.88Å; Y1389-I1393 HydrophobicContact CE1-CD1 3.51Å; Y1389-I1393 HydrophobicContact CE1-CG1 4.47Å; Y1389-I1393 PolarHBondContact O-N 3.47Å; Y1389-I1393 VanDerWaalsContact O-N 3.14Å; Y1389-L1439 HydrophobicContact CD2-CD1 4.39Å; Y1389-L1439 HydrophobicContact CD2-CD2 3.51Å; Y1389-L1439 HydrophobicContact CE2-CD1 3.7Å; Y1389-L1439 HydrophobicContact CE2-CD2 3.66Å; Y1389-L1439 HydrophobicContact CE2-CG 4.33Å
1390	L	73.8	Confident	70.1	Confident	1 Å²	1	70.6 Å²	70.6	1%	0.005	35%	0.346	C	S	.	.	H	α-helix	trans	-64.5	-40.2	176.7	-70.8	173.9	0	0	0	112.2	F1332 L1368 K1371 M1372 L1375 V1386 Q1392 I1393 H1394	F1332-L1390 HydrophobicContact CE1-CD2 4.03Å; F1332-L1390 HydrophobicContact CE2-CD2 4.49Å; F1332-L1390 HydrophobicContact CZ-CD2 3.52Å; L1368-L1390 HydrophobicContact CD2-CD2 3.78Å; K1371-L1390 HydrophobicContact CG-CD1 4.39Å; M1372-L1390 HydrophobicContact CG-CB 3.64Å; M1372-L1390 HydrophobicContact CG-CD1 3.94Å; M1372-L1390 HydrophobicContact CG-CG 4.41Å; M1372-L1390 HydrophobicContact SD-CB 4Å; L1375-L1390 HydrophobicContact CD1-CD1 3.35Å; V1386-L1390 HydrophobicContact CG1-CD1 4.01Å; V1386-L1390 HydrophobicContact CG1-CG 4.32Å; V1386-L1390 WeakPolarHBondContact O-CB 3.49Å; V1386-L1390 VanDerWaalsContact O-CG 3.27Å; V1386-L1390 WeakPolarHBondContact O-CG 3.35Å; V1386-L1390 PolarHBondContact O-N 3.36Å; L1390-Q1392 VanDerWaalsContact C-N 3.26Å; L1390-Q1392 PolarHBondContact O-N 3.24Å; L1390-I1393 PolarHBondContact O-N 3.34Å; L1390-H1394 WeakPolarHBondContact O-CB 3.29Å; L1390-H1394 PolarHBondContact O-N 3.13Å
1391	K	78.4	Confident	71	Confident	123 Å²	123	67 Å²	67	54%	0.535	33%	0.327	S	S	.	.	H	α-helix	trans	-57.3	-37.7	173.5	-80.4	175.8	177.4	-175.9	0	112.2	M1372 L1387 K1388 L1395	M1372-K1391 HydrophobicContact SD-CG 3.99Å; L1387-K1391 VanDerWaalsContact O-CB 3.3Å; L1387-K1391 WeakPolarHBondContact O-CB 2.96Å; L1387-K1391 VanDerWaalsContact O-CG 3.23Å; L1387-K1391 WeakPolarHBondContact O-CG 3.17Å; L1387-K1391 PolarHBondContact O-N 3.44Å; K1388-K1391 PolarHBondContact O-N 2.67Å; K1391-L1395 WeakPolarHBondContact O-CB 3.47Å; K1391-L1395 PolarHBondContact O-N 3.37Å
1392	Q	70.8	Confident	71.9	Confident	70 Å²	70	65.8 Å²	65.8	33%	0.327	32%	0.317	S	S	.	.	H	α-helix	trans	-71.7	-42.9	176.5	-69.5	-170.2	8	0	0	112.7	K1388 Y1389 L1390 H1394 L1395 I1396	K1388-Q1392 PolarHBondContact O-N 3.35Å; Y1389-Q1392 PolarHBondContact O-N 3.33Å; L1390-Q1392 VanDerWaalsContact C-N 3.26Å; L1390-Q1392 PolarHBondContact O-N 3.24Å; Q1392-H1394 VanDerWaalsContact C-N 3.28Å; Q1392-H1394 PolarHBondContact O-N 2.71Å; Q1392-L1395 PolarHBondContact O-N 3.32Å; Q1392-I1396 WeakPolarHBondContact O-CG1 3.42Å; Q1392-I1396 PolarHBondContact O-N 3.07Å
1393	I	68.3	Low	72.5	Confident	24 Å²	24	65.6 Å²	65.6	12%	0.123	31%	0.312	C	S	.	.	H	α-helix	trans	-61.1	-41.1	173.6	-61.7	175.8	0	0	0	110.4	F1332 F1364 L1368 Y1389 L1390 I1396 A1397	F1332-I1393 HydrophobicContact CE1-CD1 4.43Å; F1332-I1393 HydrophobicContact CZ-CD1 4.48Å; F1364-I1393 HydrophobicContact CE1-CG2 3.94Å; F1364-I1393 HydrophobicContact CZ-CG2 3.61Å; L1368-I1393 HydrophobicContact CD1-CG2 3.82Å; L1368-I1393 HydrophobicContact CD2-CG2 4.13Å; Y1389-I1393 HydrophobicContact CD1-CD1 3.88Å; Y1389-I1393 HydrophobicContact CE1-CD1 3.51Å; Y1389-I1393 HydrophobicContact CE1-CG1 4.47Å; Y1389-I1393 PolarHBondContact O-N 3.47Å; Y1389-I1393 VanDerWaalsContact O-N 3.14Å; L1390-I1393 PolarHBondContact O-N 3.34Å; I1393-I1396 PolarHBondContact O-N 3.42Å; I1393-A1397 WeakPolarHBondContact O-CB 3.3Å; I1393-A1397 PolarHBondContact O-N 2.79Å
1394	H	83.5	Confident	72.7	Confident	24 Å²	24	64.7 Å²	64.7	11%	0.111	31%	0.307	C	S	.	.	H	α-helix	trans	-61	-43.2	176.6	-171.1	54.7	0	0	0	112.9	E1369 M1372 L1390 Q1392 A1397 K1398	E1369-H1394 WeakPolarHBondContact CG-CE1 3.4Å; E1369-H1394 IonicContact OE1-CE1 3.25Å; E1369-H1394 PolarHBondContact OE1-CE1 3.25Å; E1369-H1394 IonicContact OE1-NE2 2.71Å; E1369-H1394 PolarHBondContact OE1-NE2 3.23Å; M1372-H1394 HydrophobicContact CE-CB 4.07Å; L1390-H1394 WeakPolarHBondContact O-CB 3.29Å; L1390-H1394 PolarHBondContact O-N 3.13Å; Q1392-H1394 VanDerWaalsContact C-N 3.28Å; Q1392-H1394 PolarHBondContact O-N 2.71Å; H1394-A1397 PolarHBondContact O-N 2.78Å; H1394-K1398 WeakPolarHBondContact CE1-CE 3.28Å; H1394-K1398 WeakPolarHBondContact NE2-CE 3.5Å; H1394-K1398 PolarHBondContact NE2-NZ 3.44Å; H1394-K1398 PolarHBondContact O-N 2.93Å
1395	L	77.9	Confident	72.7	Confident	93 Å²	93	64.5 Å²	64.5	49%	0.487	31%	0.305	S	S	.	.	H	α-helix	trans	-64	-41.1	174.7	-177.6	63.2	0	0	0	111.9	K1391 Q1392 K1398 R1399	K1391-L1395 WeakPolarHBondContact O-CB 3.47Å; K1391-L1395 PolarHBondContact O-N 3.37Å; Q1392-L1395 PolarHBondContact O-N 3.32Å; L1395-K1398 PolarHBondContact O-N 2.85Å; L1395-R1399 WeakPolarHBondContact O-CB 3.01Å; L1395-R1399 WeakPolarHBondContact O-CG 3.31Å; L1395-R1399 PolarHBondContact O-N 3.04Å
1396	I	70.8	Confident	72.9	Confident	81 Å²	81	64.9 Å²	64.9	42%	0.415	31%	0.313	S	S	.	.	H	α-helix	trans	-64.5	-42.1	175.4	-66.9	164.6	0	0	0	110.6	Q1392 I1393 R1399 Q1400	Q1392-I1396 WeakPolarHBondContact O-CG1 3.42Å; Q1392-I1396 PolarHBondContact O-N 3.07Å; I1393-I1396 PolarHBondContact O-N 3.42Å; I1396-R1399 PolarHBondContact O-N 3.39Å; I1396-Q1400 PolarHBondContact O-N 3.27Å
1397	A	72.7	Confident	72.4	Confident	5 Å²	5	67 Å²	67	4%	0.041	32%	0.319	C	S	.	.	H	α-helix	trans	-65.1	-44.1	177.1	0	0	0	0	0	111.9	V1361 F1364 I1365 L1368 I1393 H1394 Q1400 L1401	V1361-A1397 WeakPolarHBondContact CG1-O 3.21Å; F1364-A1397 HydrophobicContact CD1-CB 3.96Å; F1364-A1397 HydrophobicContact CE1-CB 4.04Å; I1365-A1397 HydrophobicContact CD1-CB 4.26Å; I1365-A1397 HydrophobicContact CG1-CB 3.68Å; L1368-A1397 HydrophobicContact CD1-CB 4.31Å; I1393-A1397 WeakPolarHBondContact O-CB 3.3Å; I1393-A1397 PolarHBondContact O-N 2.79Å; H1394-A1397 PolarHBondContact O-N 2.78Å; A1397-Q1400 PolarHBondContact O-N 3.03Å; A1397-L1401 PolarHBondContact O-N 3.45Å
1398	K	81.2	Confident	70.9	Confident	85 Å²	85	69.9 Å²	69.9	37%	0.37	33%	0.331	S	S	.	.	H	α-helix	trans	-65.1	-37.7	175.1	-78.7	-172.5	173	175.8	0	112.6	I1365 E1369 H1394 L1395 L1401 Q1402	I1365-K1398 HydrophobicContact CD1-CG 3.99Å; I1365-K1398 HydrophobicContact CG1-CG 4.47Å; E1369-K1398 WeakPolarHBondContact OE1-CE 3.45Å; E1369-K1398 IonicContact OE1-NZ 2.89Å; E1369-K1398 PolarHBondContact OE1-NZ 3.38Å; H1394-K1398 WeakPolarHBondContact CE1-CE 3.28Å; H1394-K1398 WeakPolarHBondContact NE2-CE 3.5Å; H1394-K1398 PolarHBondContact NE2-NZ 3.44Å; H1394-K1398 PolarHBondContact O-N 2.93Å; L1395-K1398 PolarHBondContact O-N 2.85Å; K1398-L1401 PolarHBondContact O-N 3.05Å; K1398-Q1402 WeakPolarHBondContact O-CG 3.37Å; K1398-Q1402 PolarHBondContact O-N 2.96Å
1399	R	73.7	Confident	69.2	Low	110 Å²	110	71.7 Å²	71.7	42%	0.415	34%	0.344	S	S	.	.	H	α-helix	trans	-63.2	-40.3	170.8	-75.5	179.2	178.8	-168.7	-0.5	112.5	L1395 I1396 Q1402 L1403	L1395-R1399 WeakPolarHBondContact O-CB 3.01Å; L1395-R1399 WeakPolarHBondContact O-CG 3.31Å; L1395-R1399 PolarHBondContact O-N 3.04Å; I1396-R1399 PolarHBondContact O-N 3.39Å; R1399-Q1402 PolarHBondContact O-N 2.94Å; R1399-L1403 WeakPolarHBondContact O-CG 3.4Å; R1399-L1403 PolarHBondContact O-N 2.98Å
1400	Q	69.7	Low	67.9	Low	89 Å²	89	72.4 Å²	72.4	42%	0.416	36%	0.358	S	S	.	.	H	α-helix	trans	-66.4	-39.4	173.7	-79.1	-68.5	-27.5	0	0	112.2	V1361 I1396 A1397 Q1402 L1403 I1404	V1361-Q1400 HydrophobicContact CG1-CB 4.5Å; I1396-Q1400 PolarHBondContact O-N 3.27Å; A1397-Q1400 PolarHBondContact O-N 3.03Å; Q1400-Q1402 VanDerWaalsContact C-N 3.34Å; Q1400-Q1402 PolarHBondContact O-N 2.79Å; Q1400-L1403 PolarHBondContact O-N 3.21Å; Q1400-I1404 WeakPolarHBondContact O-CD1 3.34Å; Q1400-I1404 VanDerWaalsContact O-CG1 3.26Å; Q1400-I1404 WeakPolarHBondContact O-CG1 3.43Å; Q1400-I1404 PolarHBondContact O-N 3.37Å
1401	L	81.4	Confident	65.8	Low	15 Å²	15	80.4 Å²	80.4	8%	0.079	40%	0.399	C	S	.	.	H	α-helix	trans	-61.6	-43.4	172.9	-170.4	67.8	0	0	0	111.1	R1358 V1361 I1365 A1397 K1398 L1403 I1404 Q1405	R1358-L1401 HydrophobicContact CG-CD1 4.38Å; V1361-L1401 HydrophobicContact CB-CD1 4.46Å; V1361-L1401 HydrophobicContact CG1-CB 3.89Å; V1361-L1401 HydrophobicContact CG1-CD1 4.23Å; I1365-L1401 HydrophobicContact CD1-CB 3.85Å; I1365-L1401 HydrophobicContact CD1-CD2 3.75Å; I1365-L1401 HydrophobicContact CD1-CG 4.32Å; A1397-L1401 PolarHBondContact O-N 3.45Å; K1398-L1401 PolarHBondContact O-N 3.05Å; L1401-L1403 VanDerWaalsContact C-N 3.34Å; L1401-L1403 PolarHBondContact O-N 3.42Å; L1401-I1404 PolarHBondContact O-N 3.48Å; L1401-Q1405 HydrophobicContact CG-CG 4.38Å; L1401-Q1405 VanDerWaalsContact O-CB 3.3Å; L1401-Q1405 WeakPolarHBondContact O-CB 3.15Å; L1401-Q1405 WeakPolarHBondContact O-CG 3.18Å; L1401-Q1405 PolarHBondContact O-N 3.04Å; L1401-Q1405 PolarHBondContact O-OE1 3.25Å
1402	Q	76.6	Confident	63.6	Low	122 Å²	122	80 Å²	80	57%	0.57	41%	0.407	S	S	*	.	H	α-helix	trans	-61.2	-38.4	174.9	-75.5	174.3	-43.7	0	0	112.7	K1398 R1399 Q1400 Q1405 S1406	K1398-Q1402 WeakPolarHBondContact O-CG 3.37Å; K1398-Q1402 PolarHBondContact O-N 2.96Å; R1399-Q1402 PolarHBondContact O-N 2.94Å; Q1400-Q1402 VanDerWaalsContact C-N 3.34Å; Q1400-Q1402 PolarHBondContact O-N 2.79Å; Q1402-Q1405 PolarHBondContact O-N 3.43Å; Q1402-S1406 WeakPolarHBondContact O-CB 3.46Å; Q1402-S1406 PolarHBondContact O-N 2.9Å; Q1402-S1406 PolarHBondContact O-OG 3.49Å
1403	L	69.2	Low	61.6	Low	87 Å²	87	82.8 Å²	82.8	46%	0.455	42%	0.424	S	S	.	.	H	α-helix	trans	-68.5	-38.5	174.7	-71.8	166.8	0	0	0	112.6	R1399 Q1400 L1401 Q1405 S1406 Q1407	R1399-L1403 WeakPolarHBondContact O-CG 3.4Å; R1399-L1403 PolarHBondContact O-N 2.98Å; Q1400-L1403 PolarHBondContact O-N 3.21Å; L1401-L1403 VanDerWaalsContact C-N 3.34Å; L1401-L1403 PolarHBondContact O-N 3.42Å; L1403-Q1405 VanDerWaalsContact C-N 3.3Å; L1403-S1406 PolarHBondContact O-OG 2.8Å; L1403-Q1407 VanDerWaalsContact O-CG 3.31Å; L1403-Q1407 WeakPolarHBondContact O-CG 3.3Å; L1403-Q1407 PolarHBondContact O-N 3.49Å; L1403-Q1407 VanDerWaalsContact O-N 3.16Å
1404	I	69.2	Low	59.8	Low	5 Å²	5	90.8 Å²	90.8	3%	0.026	46%	0.458	C	S	.	.	H	α-helix	trans	-69.5	-31.3	174	-65.5	158.3	0	0	0	110.9	I1354 Q1357 R1358 V1361 Q1400 L1401	I1354-I1404 HydrophobicContact CG2-CG2 4Å; Q1357-I1404 HydrophobicContact CB-CD1 3.89Å; Q1357-I1404 HydrophobicContact CB-CG1 4.31Å; R1358-I1404 HydrophobicContact CB-CG2 3.8Å; V1361-I1404 HydrophobicContact CB-CD1 4.17Å; V1361-I1404 HydrophobicContact CG2-CD1 3.68Å; Q1400-I1404 WeakPolarHBondContact O-CD1 3.34Å; Q1400-I1404 VanDerWaalsContact O-CG1 3.26Å; Q1400-I1404 WeakPolarHBondContact O-CG1 3.43Å; Q1400-I1404 PolarHBondContact O-N 3.37Å; L1401-I1404 PolarHBondContact O-N 3.48Å
1405	Q	72.9	Confident	57.3	Low	81 Å²	81	96.7 Å²	96.7	38%	0.379	49%	0.49	S	S	.	.	H	α-helix	trans	-77.3	-37.9	176	-75.3	168	-31.8	0	0	112.6	L1401 Q1402 L1403 Q1407 F1408	L1401-Q1405 HydrophobicContact CG-CG 4.38Å; L1401-Q1405 VanDerWaalsContact O-CB 3.3Å; L1401-Q1405 WeakPolarHBondContact O-CB 3.15Å; L1401-Q1405 WeakPolarHBondContact O-CG 3.18Å; L1401-Q1405 PolarHBondContact O-N 3.04Å; L1401-Q1405 PolarHBondContact O-OE1 3.25Å; Q1402-Q1405 PolarHBondContact O-N 3.43Å; L1403-Q1405 VanDerWaalsContact C-N 3.3Å; Q1405-Q1407 VanDerWaalsContact C-N 3.31Å; Q1405-F1408 CarbonylContact O-C 3.55Å; Q1405-F1408 WeakPolarHBondContact O-CA 3.44Å; Q1405-F1408 VanDerWaalsContact O-CB 3.28Å; Q1405-F1408 WeakPolarHBondContact O-CB 3.22Å; Q1405-F1408 PolarHBondContact O-N 2.74Å
1406	S	66.9	Low	55.2	Low	85 Å²	85	100.3 Å²	100.3	59%	0.594	50%	0.504	S	S	*	.	H	α-helix	trans	-74.1	-22.1	176.4	65.3	0	0	0	0	113.1	Q1402 L1403 F1408	Q1402-S1406 WeakPolarHBondContact O-CB 3.46Å; Q1402-S1406 PolarHBondContact O-N 2.9Å; Q1402-S1406 PolarHBondContact O-OG 3.49Å; L1403-S1406 PolarHBondContact O-OG 2.8Å; S1406-F1408 PolarHBondContact O-N 3.28Å
1407	Q	54.7	Low	53.4	Low	99 Å²	99	100.8 Å²	100.8	46%	0.463	51%	0.513	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-3.9	164.7	-70.4	175.9	6.6	0	0	113.3	L1403 Q1405	L1403-Q1407 VanDerWaalsContact O-CG 3.31Å; L1403-Q1407 WeakPolarHBondContact O-CG 3.3Å; L1403-Q1407 PolarHBondContact O-N 3.49Å; L1403-Q1407 VanDerWaalsContact O-N 3.16Å; Q1405-Q1407 VanDerWaalsContact C-N 3.31Å
1408	F	43.6	Very low	51.4	Low	87 Å²	87	110.6 Å²	110.6	38%	0.382	55%	0.55	S	S	.	*			trans	-104.7	85.7	173	-110.5	-83.2	0	0	0	109.9	I1354 Q1405 S1406 P1410	I1354-F1408 HydrophobicContact CB-CE2 4.28Å; I1354-F1408 HydrophobicContact CG2-CD2 3.85Å; I1354-F1408 HydrophobicContact CG2-CE2 3.69Å; Q1405-F1408 CarbonylContact O-C 3.55Å; Q1405-F1408 WeakPolarHBondContact O-CA 3.44Å; Q1405-F1408 VanDerWaalsContact O-CB 3.28Å; Q1405-F1408 WeakPolarHBondContact O-CB 3.22Å; Q1405-F1408 PolarHBondContact O-N 2.74Å; S1406-F1408 PolarHBondContact O-N 3.28Å; F1408-P1410 VanDerWaalsContact O-CD 3.28Å; F1408-P1410 WeakPolarHBondContact O-CD 3.47Å
1409	I	36.6	Very low	48.9	Very low	147 Å²	147	115 Å²	115	75%	0.754	57%	0.569	S	S	*	*			trans	-73.7	114.6	158.1	-61.6	176.3	0	0	0	106.6	I1411	I1409-I1411 PolarHBondContact O-N 2.75Å
1410	P	33.3	Very low	46.7	Very low	88 Å²	88	115.7 Å²	115.7	57%	0.571	59%	0.588	S	S	*	*			trans	-79.4	107.6	-176.8	31.4	-31.8	0	0	0	110	F1408 T1412	F1408-P1410 VanDerWaalsContact O-CD 3.28Å; F1408-P1410 WeakPolarHBondContact O-CD 3.47Å; P1410-T1412 HydrophobicContact CB-CG2 4.29Å; P1410-T1412 PolarHBondContact O-N 2.9Å
1411	I	31.4	Very low	44.9	Very low	169 Å²	169	118.4 Å²	118.4	87%	0.867	61%	0.611	S	S	*	*			trans	-78.3	71.4	159.6	-53.7	-177.8	0	0	0	107.5	I1409	I1409-I1411 PolarHBondContact O-N 2.75Å
1412	T	31.4	Very low	42.4	Very low	113 Å²	113	123.4 Å²	123.4	69%	0.693	64%	0.642	S	S	*	*			trans	-74.5	128.7	162.4	39.9	0	0	0	0	109.2	P1410	P1410-T1412 HydrophobicContact CB-CG2 4.29Å; P1410-T1412 PolarHBondContact O-N 2.9Å
1413	D	29.5	Very low	40.2	Very low	130 Å²	130	125.6 Å²	125.6	70%	0.695	66%	0.656	S	S	*	*			trans	47	122.5	158.6	-143.9	-20.5	0	0	0	119.4	N1415	D1413-N1415 PolarHBondContact OD1-N 3.12Å
1414	K	30.6	Very low	38.2	Very low	192 Å²	192	129.4 Å²	129.4	84%	0.835	67%	0.671	S	S	*	*			trans	-165	73.6	156.3	-111.1	150.4	-167	177.4	0	112.5	H1416	K1414-H1416 PolarHBondContact O-N 3.36Å; K1414-H1416 VanDerWaalsContact O-N 3.14Å
1415	N	31	Very low	36.4	Very low	147 Å²	147	137.7 Å²	137.7	79%	0.786	71%	0.71	S	S	*	*			trans	-66.7	85.7	136.3	-73.9	-38.9	0	0	0	108.2	D1413	D1413-N1415 PolarHBondContact OD1-N 3.12Å
1416	H	33.5	Very low	34.5	Very low	169 Å²	169	139.8 Å²	139.8	78%	0.782	73%	0.728	S	S	*	*			trans	178	145	152.7	-104.2	-75.9	0	0	0	111.8	K1414	K1414-H1416 PolarHBondContact O-N 3.36Å; K1414-H1416 VanDerWaalsContact O-N 3.14Å
1417	P	32.6	Very low	32.6	Very low	92 Å²	92	141.7 Å²	141.7	60%	0.597	74%	0.736	S	S	*	*			trans	-93.3	171.6	177.7	36.5	-34.4	0	0	0	114.4
1418	Y	29.5	Very low	31.3	Very low	211 Å²	211	142.6 Å²	142.6	83%	0.827	75%	0.75	S	S	*	*			trans	67.3	154.4	-179.5	-57	-81.7	0	0	0	115
1419	K	29.2	Very low	30.6	Very low	177 Å²	177	146.1 Å²	146.1	77%	0.77	77%	0.773	S	S	*	*			cis	-148.2	151.7	-7.8	-138.8	163.9	-178.2	-179.1	0	107.3
1420	P	28	Very low	30	Very low	124 Å²	124	142.8 Å²	142.8	81%	0.805	78%	0.775	S	S	*	*			trans	-91	142.5	-177.7	34.3	-33.5	0	0	0	113.5
1421	T	32.6	Very low	29.8	Very low	146 Å²	146	146.1 Å²	146.1	90%	0.896	79%	0.786	S	S	*	*			trans	-146	144.4	166.6	-12.6	0	0	0	0	111.1
1422	T	27.3	Very low	29.5	Very low	120 Å²	120	141.6 Å²	141.6	74%	0.736	78%	0.782	S	S	*	*			trans	-85.8	140.4	-174.9	43.8	0	0	0	0	113.9
1423	I	30.5	Very low	29.3	Very low	169 Å²	169	143.6 Å²	143.6	87%	0.867	79%	0.787	S	S	*	*			trans	-136.1	126.5	146.9	-64.8	-174.8	0	0	0	107.9
1424	H	27.1	Very low	29.3	Very low	166 Å²	166	142.1 Å²	142.1	77%	0.769	78%	0.784	S	S	*	*			trans	-84.7	152.1	163.1	-84.3	-121.1	0	0	0	108.8
1425	E	31.7	Very low	29.2	Very low	179 Å²	179	143.5 Å²	143.5	84%	0.836	79%	0.785	S	S	*	*				-176.5	146.8	117.1	-100.4	166.5	-163.7	0	0	115.8
1426	T	32.4	Very low	29	Very low	125 Å²	125	140.1 Å²	140.1	77%	0.767	77%	0.771	S	S	*	*			trans	22.5	128.6	157.8	57	0	0	0	0	123
1427	V	27.4	Very low	28.8	Very low	126 Å²	126	136.9 Å²	136.9	76%	0.764	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-91.8	138.8	159.4	171.2	0	0	0	0	110
1428	P	29.1	Very low	28.7	Very low	117 Å²	117	138.2 Å²	138.2	76%	0.76	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-101.5	137.8	149.5	-10.6	29.4	0	0	0	112
1429	N	27.3	Very low	28.6	Very low	162 Å²	162	132 Å²	132	87%	0.866	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-75.7	156.3	173.2	-75.2	-53.1	0	0	0	111.9
1430	G	25.7	Very low	28.4	Very low	76 Å²	76	127.7 Å²	127.7	78%	0.784	75%	0.745	S	S	*	*			trans	88	58.5	146.3	0	0	0	0	0	118.7
1431	I	28.5	Very low	28.4	Very low	158 Å²	158	127.7 Å²	127.7	81%	0.81	74%	0.743	S	S	*	*			trans	-121.9	105.3	153.7	-58.3	-178	0	0	0	109.2	I1433	I1431-I1433 PolarHBondContact O-N 3.14Å
1432	G	24.9	Very low	28	Very low	75 Å²	75	127.9 Å²	127.9	77%	0.773	73%	0.731	S	S	*	*			trans	-72.9	111	177.5	0	0	0	0	0	111.6
1433	I	27.8	Very low	27.8	Very low	155 Å²	155	127.5 Å²	127.5	80%	0.795	73%	0.729	S	S	*	*	P	Polyproline II helix	trans	-75.9	125.1	179.2	-58.8	-179.6	0	0	0	109.3	I1431	I1431-I1433 PolarHBondContact O-N 3.14Å
1434	P	28.6	Very low	27.6	Very low	98 Å²	98	126.2 Å²	126.2	64%	0.636	73%	0.729	S	S	*	*	P	Polyproline II helix	trans	-73.1	145.1	-161.2	-20.3	33.2	0	0	0	114.9
1435	Y	27.8	Very low	27.5	Very low	221 Å²	221	124.8 Å²	124.8	87%	0.867	73%	0.732	S	S	*	*	P	Polyproline II helix	trans	-51.7	135.5	158.3	-80.4	-84.2	0	0	0	109.7
1436	P	28.4	Very low	27.2	Very low	76 Å²	76	119.8 Å²	119.8	49%	0.494	73%	0.729	S	S	.	*	P	Polyproline II helix	trans	-61.9	133.6	177.2	25.6	-33	0	0	0	109.8
1437	P	27.9	Very low	26.9	Very low	101 Å²	101	124.5 Å²	124.5	66%	0.656	73%	0.733	S	S	*	*	P	Polyproline II helix	trans	-65.2	155	-169.8	25.9	-35.4	0	0	0	112.5	L1439	P1437-L1439 PolarHBondContact O-N 3.31Å
1438	P	30.2	Very low	26.9	Very low	121 Å²	121	126 Å²	126	79%	0.786	73%	0.731	S	S	*	*	P	Polyproline II helix	trans	-60.7	130.8	177.1	25.6	-34.1	0	0	0	111.1
1439	L	27.9	Very low	26.8	Very low	80 Å²	80	127.2 Å²	127.2	42%	0.419	73%	0.73	S	S	.	*	P	Polyproline II helix	trans	-55.5	130.4	174.2	-101.2	154.6	0	0	0	110.4	Y1389 P1437 V1441	Y1389-L1439 HydrophobicContact CD2-CD1 4.39Å; Y1389-L1439 HydrophobicContact CD2-CD2 3.51Å; Y1389-L1439 HydrophobicContact CE2-CD1 3.7Å; Y1389-L1439 HydrophobicContact CE2-CD2 3.66Å; Y1389-L1439 HydrophobicContact CE2-CG 4.33Å; P1437-L1439 PolarHBondContact O-N 3.31Å; L1439-V1441 PolarHBondContact O-N 3.32Å
1440	P	26.4	Very low	26.8	Very low	87 Å²	87	127.9 Å²	127.9	57%	0.565	73%	0.725	S	S	*	*	P	Polyproline II helix	trans	-59.8	126.9	-169.2	-27.5	35.4	0	0	0	114.2	F1442	P1440-F1442 PolarHBondContact O-N 3.5Å
1441	V	26.5	Very low	27	Very low	124 Å²	124	129.5 Å²	129.5	75%	0.752	72%	0.72	S	S	*	*			trans	-81.7	104	168.3	-176.1	0	0	0	0	107.9	L1439 T1443	L1439-V1441 PolarHBondContact O-N 3.32Å; V1441-T1443 VanDerWaalsContact C-N 3.3Å; V1441-T1443 HydrophobicContact CG1-CG2 4.06Å; V1441-T1443 PolarHBondContact O-N 3.4Å
1442	F	25.2	Very low	27.1	Very low	150 Å²	150	129.5 Å²	129.5	66%	0.658	72%	0.716	S	S	*	*			trans	-71.1	86	171.7	-85.5	-82	0	0	0	110.8	P1440	P1440-F1442 PolarHBondContact O-N 3.5Å
1443	T	23.6	Very low	27.4	Very low	112 Å²	112	130.9 Å²	130.9	69%	0.687	71%	0.714	S	S	*	*			trans	-79.8	121.1	162.8	50.6	0	0	0	0	109.7	V1441	V1441-T1443 VanDerWaalsContact C-N 3.3Å; V1441-T1443 HydrophobicContact CG1-CG2 4.06Å; V1441-T1443 PolarHBondContact O-N 3.4Å
1444	T	26.3	Very low	27.5	Very low	142 Å²	142	128.1 Å²	128.1	87%	0.871	71%	0.714	S	S	*	*			trans	-122.2	129.3	159.3	43.6	0	0	0	0	109.5
1445	T	24.7	Very low	27.5	Very low	136 Å²	136	129.6 Å²	129.6	83%	0.834	72%	0.721	S	S	*	*			trans	-115.5	152.8	-167.5	44.7	0	0	0	0	111.4
1446	G	25.1	Very low	27.5	Very low	74 Å²	74	127 Å²	127	76%	0.763	72%	0.721	S	S	*	*			trans	85.8	154.9	176.1	0	0	0	0	0	114.8
1447	R	26	Very low	27.7	Very low	224 Å²	224	125.8 Å²	125.8	85%	0.845	71%	0.712	S	S	*	*			cis	-151.1	142.3	-8.1	-117.9	179.7	179	161.8	-0.7	109.4
1448	Q	27.3	Very low	27.9	Very low	157 Å²	157	126.5 Å²	126.5	73%	0.734	72%	0.715	S	S	*	*			trans	43.4	130.4	133.2	-101.7	159.9	-12.3	0	0	119.8
1449	I	26.7	Very low	28.3	Very low	143 Å²	143	126.4 Å²	126.4	73%	0.733	71%	0.708	S	S	*	*				-164.3	136	69.7	-105	138.9	0	0	0	113.9
1450	K	27.6	Very low	28.7	Very low	175 Å²	175	125.4 Å²	125.4	76%	0.761	72%	0.716	S	S	*	*			trans	48.5	118.5	148.6	-58	-178.8	179	-178.4	0	121
1451	T	29.2	Very low	29	Very low	111 Å²	111	129.2 Å²	129.2	68%	0.681	73%	0.732	S	S	*	*				71.9	143	64.5	63.5	0	0	0	0	113.9
1452	H	31.8	Very low	29.3	Very low	158 Å²	158	127.5 Å²	127.5	73%	0.731	73%	0.731	S	S	*	*			cis	-137.6	179.9	37.7	-78.2	-82.7	0	0	0	112.5
1453	S	29.8	Very low	29.5	Very low	104 Å²	104	126.2 Å²	126.2	73%	0.727	74%	0.735	S	S	*	*			cis	79.6	142.1	24.7	85.5	0	0	0	0	116.3
1454	A	29.6	Very low	29.8	Very low	96 Å²	96	128.9 Å²	128.9	79%	0.793	74%	0.737	S	S	*	*			cis	-153.8	-151.1	15.3	0	0	0	0	0	115.3
1455	T	29.3	Very low	29.8	Very low	129 Å²	129	132 Å²	132	79%	0.791	73%	0.733	S	S	*	*			trans	-151.2	163.5	-173.2	-25.9	0	0	0	0	110.6
1456	I	28.9	Very low	29.9	Very low	167 Å²	167	131.6 Å²	131.6	86%	0.856	73%	0.726	S	S	*	*			trans	171.8	171.6	148.9	-91.5	155.2	0	0	0	113.8
1457	T	31.2	Very low	30.1	Very low	50 Å²	50	135.1 Å²	135.1	31%	0.307	73%	0.726	S	S	.	*			trans	-153.5	145.4	-151.6	50.6	0	0	0	0	116.1	S365	S365-T1457 VanDerWaalsContact CB-O 3.3Å; S365-T1457 WeakPolarHBondContact CB-O 3.49Å; S365-T1457 WeakPolarHBondContact CB-OG1 3.38Å; S365-T1457 PolarHBondContact OG-O 2.9Å; S365-T1457 PolarHBondContact OG-OG1 3.3Å
1458	T	32.4	Very low	30.1	Very low	116 Å²	116	128.6 Å²	128.6	71%	0.712	71%	0.714	S	S	*	*			trans	-166.3	173.2	160.3	13.2	0	0	0	0	116.2	K364	K364-T1458 VanDerWaalsContact CG-O 3.27Å; K364-T1458 WeakPolarHBondContact CG-O 3.5Å
1459	N	38	Very low	30.2	Very low	120 Å²	120	127.9 Å²	127.9	64%	0.642	71%	0.714	S	S	*	*			trans	-140.6	166.6	-163.2	-140.3	37.1	0	0	0	114.2	K364	K364-N1459 WeakPolarHBondContact CD-OD1 3.46Å; K364-N1459 WeakPolarHBondContact CG-OD1 3.37Å
1460	G	37	Very low	30.2	Very low	58 Å²	58	128.7 Å²	128.7	60%	0.598	72%	0.718	S	S	*	*			trans	-173	175.5	178	0	0	0	0	0	114
1461	D	33.1	Very low	30.4	Very low	167 Å²	167	123.4 Å²	123.4	89%	0.893	71%	0.714	S	S	*	*			trans	-112.6	173.8	-152.6	-62.2	-74.2	0	0	0	119.4
1462	A	33	Very low	30.3	Very low	88 Å²	88	125.4 Å²	125.4	73%	0.727	72%	0.72	S	S	*	*			trans	97.2	110.9	140.9	0	0	0	0	0	124.4
1463	V	28.4	Very low	30.3	Very low	124 Å²	124	125.1 Å²	125.1	75%	0.752	72%	0.723	S	S	*	*				83.9	130.4	121.9	174.9	0	0	0	0	123.5
1464	K	29.8	Very low	30.2	Very low	167 Å²	167	127.2 Å²	127.2	73%	0.726	72%	0.721	S	S	*	*			trans	78.6	110.6	154.7	-84.6	165.3	-170.4	173	0	123.7
1465	R	26.7	Very low	30.1	Very low	208 Å²	208	131.6 Å²	131.6	79%	0.785	72%	0.717	S	S	*	*				68.5	128.2	119.4	-73.9	-176.3	-176.6	161.1	-0.1	123.9
1466	N	27.9	Very low	29.9	Very low	128 Å²	128	134.1 Å²	134.1	68%	0.684	72%	0.717	S	S	*	*			trans	86.9	130.1	132.1	-73.1	21.5	0	0	0	122.4
1467	I	28.2	Very low	29.8	Very low	148 Å²	148	130.9 Å²	130.9	76%	0.759	71%	0.709	S	S	*	*			trans	67.1	138	139.7	-64.2	168.4	0	0	0	117.3
1468	S	26.9	Very low	29.6	Very low	87 Å²	87	134.5 Å²	134.5	61%	0.608	73%	0.726	S	S	*	*			cis	-175.5	-168.3	-27.3	61.2	0	0	0	0	108.1
1469	I	28.9	Very low	29.5	Very low	141 Å²	141	136.4 Å²	136.4	72%	0.723	73%	0.727	S	S	*	*			trans	79	101	159.3	-65.9	157.5	0	0	0	118.9
1470	I	27.2	Very low	28.9	Very low	160 Å²	160	137.2 Å²	137.2	82%	0.821	73%	0.73	S	S	*	*				53	142.9	119.1	-57.7	160.4	0	0	0	121.5
1471	G	30.1	Very low	28.4	Very low	65 Å²	65	141.4 Å²	141.4	67%	0.67	74%	0.737	S	S	*	*			trans	118.8	95.5	170.7	0	0	0	0	0	112.1
1472	D	28.6	Very low	28.4	Very low	153 Å²	153	138.2 Å²	138.2	82%	0.818	73%	0.726	S	S	*	*			cis	73.4	154	42.6	-77.4	-43.6	0	0	0	116.7
1473	I	30.8	Very low	28.1	Very low	152 Å²	152	145.1 Å²	145.1	78%	0.779	73%	0.733	S	S	*	*			trans	76.1	100.9	-175.7	-49.4	176.6	0	0	0	112.9
1474	E	27.3	Very low	28.1	Very low	147 Å²	147	143.8 Å²	143.8	69%	0.687	73%	0.73	S	S	*	*			cis	91	141.5	48.3	-162.1	-160.5	-130	0	0	113.5
1475	R	28.1	Very low	27.9	Very low	189 Å²	189	147 Å²	147	71%	0.713	74%	0.737	S	S	*	*			trans	111	102.1	156.4	-58.2	-171.4	-179.3	166.2	12.8	120.2
1476	K	26.3	Very low	28	Very low	182 Å²	182	142.6 Å²	142.6	79%	0.791	74%	0.738	S	S	*	*				64.7	114.3	121.1	-64.6	179.1	-179.7	-178.7	0	120.8
1477	S	26.2	Very low	28	Very low	98 Å²	98	141.5 Å²	141.5	69%	0.685	74%	0.739	S	S	*	*				91.2	146.6	120.9	75.5	0	0	0	0	122
1478	N	27.4	Very low	28.1	Very low	126 Å²	126	140.6 Å²	140.6	67%	0.674	74%	0.736	S	S	*	*			trans	84	142.6	153	-62.6	-13	0	0	0	121.6
1479	H	29.5	Very low	28.1	Very low	156 Å²	156	141.9 Å²	141.9	72%	0.722	74%	0.736	S	S	*	*			trans	66	111.3	160.5	-54.6	-38.5	0	0	0	118
1480	L	26.5	Very low	28.1	Very low	138 Å²	138	143.9 Å²	143.9	72%	0.723	74%	0.739	S	S	*	*				93.1	110.9	69.9	-79.3	172.3	0	0	0	113.7
1481	I	25.7	Very low	28.1	Very low	145 Å²	145	142 Å²	142	74%	0.744	73%	0.73	S	S	*	*			trans	22.4	138	131.7	-26.8	172.5	0	0	0	118.6
1482	P	33.3	Very low	28	Very low	101 Å²	101	150 Å²	150	66%	0.656	74%	0.74	S	S	*	*			cis	-136.9	-132.7	-44.8	43.8	-23.9	0	0	0	110
1483	R	25.8	Very low	27.8	Very low	233 Å²	233	148.3 Å²	148.3	88%	0.879	73%	0.731	S	S	*	*			trans	70.2	155.9	166.8	-78	164.7	-178	175.5	1.3	115.6
1484	S	28.3	Very low	27.8	Very low	96 Å²	96	147.2 Å²	147.2	67%	0.671	73%	0.727	S	S	*	*			cis	-168.6	164.5	-20.5	56	0	0	0	0	110.5
1485	R	25.8	Very low	27.9	Very low	233 Å²	233	146.8 Å²	146.8	88%	0.879	73%	0.725	S	S	*	*				166.2	119.5	126.7	-92.9	170.9	-179.9	-168.7	0.5	113.2
1486	S	29.8	Very low	28.2	Very low	117 Å²	117	144.1 Å²	144.1	82%	0.818	72%	0.724	S	S	*	*			trans	150	140.7	133.5	55.3	0	0	0	0	112.9
1487	C	28.3	Very low	28.2	Very low	104 Å²	104	141.3 Å²	141.3	70%	0.703	72%	0.718	S	S	*	*			cis	-165	152.5	-36.5	-128.7	0	0	0	0	111
1488	N	29.7	Very low	28.3	Very low	130 Å²	130	148 Å²	148	70%	0.695	73%	0.73	S	S	*	*			trans	72.1	122.9	160.9	-54.6	-8.4	0	0	0	116.6
1489	L	26.4	Very low	28.2	Very low	114 Å²	114	152.1 Å²	152.1	60%	0.597	74%	0.736	S	S	*	*				71.8	140	62.2	-81.3	80	0	0	0	112.9	L1491	L1489-L1491 HydrophobicContact CD2-CD1 3.76Å; L1489-L1491 HydrophobicContact CG-CD1 3.78Å; L1489-L1491 HydrophobicContact CG-CG 4.25Å
1490	F	28.3	Very low	28.1	Very low	182 Å²	182	150.4 Å²	150.4	80%	0.798	73%	0.732	S	S	*	*			cis	-119.5	146.2	12.9	-72.4	-106.4	0	0	0	111
1491	L	27.4	Very low	28.1	Very low	121 Å²	121	150.9 Å²	150.9	63%	0.634	73%	0.731	S	S	*	*			cis	75.1	109.8	42	-77.7	-176.8	0	0	0	116.3	L1489	L1489-L1491 HydrophobicContact CD2-CD1 3.76Å; L1489-L1491 HydrophobicContact CG-CD1 3.78Å; L1489-L1491 HydrophobicContact CG-CG 4.25Å
1492	R	27.8	Very low	28.1	Very low	233 Å²	233	150 Å²	150	88%	0.879	73%	0.728	S	S	*	*				163.1	146.9	128.5	-92.1	177.7	174.5	-176.9	-2	110.1
1493	N	25.7	Very low	27.7	Very low	118 Å²	118	152 Å²	152	63%	0.631	73%	0.733	S	S	*	*			cis	-172.4	179	-23.6	-134.5	54.8	0	0	0	109.2
1494	N	30.3	Very low	27.8	Very low	128 Å²	128	148.2 Å²	148.2	68%	0.684	73%	0.73	S	S	*	*			trans	76	143	162.3	-54.8	-6.1	0	0	0	116.3
1495	H	30.5	Very low	27.7	Very low	138 Å²	138	153.2 Å²	153.2	64%	0.639	74%	0.74	S	S	*	*			cis	-157.1	168.3	-16.2	-132.7	-83.9	0	0	0	112.3
1496	N	32.4	Very low	27.6	Very low	133 Å²	133	149.1 Å²	149.1	71%	0.711	73%	0.734	S	S	*	*			trans	73.4	115	167	-54.8	-18.3	0	0	0	115.7
1497	N	27.4	Very low	27.4	Very low	123 Å²	123	150.8 Å²	150.8	66%	0.658	73%	0.734	S	S	*	*			cis	70.5	116.4	39.1	-56.5	-34.3	0	0	0	114.8
1498	Y	28.5	Very low	27.3	Very low	238 Å²	238	153.9 Å²	153.9	93%	0.933	74%	0.738	S	S	*	*				-136.7	147	111.7	-108.8	-83.7	0	0	0	110.3
1499	R	25.5	Very low	27.3	Very low	214 Å²	214	154.1 Å²	154.1	81%	0.808	74%	0.738	S	S	*	*			trans	-93.4	163.4	163.9	-55.8	171	165.4	159.5	-10.1	107
1500	N	26.7	Very low	27.6	Very low	119 Å²	119	153.5 Å²	153.5	64%	0.636	74%	0.741	S	S	*	*				-179.1	154.2	66.7	-114.6	-11.8	0	0	0	111.7
1501	Q	25.8	Very low	27.5	Very low	148 Å²	148	151.9 Å²	151.9	69%	0.692	73%	0.734	S	S	*	*			trans	37.6	138.3	133.9	-62.5	173.7	-44.6	0	0	122.9
1502	N	26	Very low	27.4	Very low	128 Å²	128	153.1 Å²	153.1	68%	0.684	74%	0.739	S	S	*	*			trans	84.2	124.5	145.2	-61.6	-8	0	0	0	121.5
1503	N	25.9	Very low	27.5	Very low	141 Å²	141	147.9 Å²	147.9	75%	0.754	73%	0.733	S	S	*	*			trans	67.7	134.2	136.5	-59.3	-6.2	0	0	0	122.1
1504	N	27.1	Very low	27.4	Very low	154 Å²	154	149.4 Å²	149.4	82%	0.824	74%	0.736	S	S	*	*			trans	3.4	111	146.3	-53.7	-6.3	0	0	0	117.7
1505	K	25.7	Very low	27.2	Very low	202 Å²	202	151.6 Å²	151.6	88%	0.878	74%	0.74	S	S	*	*				-169.3	169.3	129.5	-110.2	167.6	-176.2	-177.1	0	114.9
1506	L	24.1	Very low	27.2	Very low	146 Å²	146	152.7 Å²	152.7	76%	0.764	75%	0.75	S	S	*	*			trans	-52.8	-177.2	179.1	-80.9	60.3	0	0	0	116.4
1507	L	26	Very low	26.9	Very low	153 Å²	153	150.4 Å²	150.4	80%	0.801	74%	0.744	S	S	*	*			trans	88.1	111	169	-57.9	134.9	0	0	0	112.6
1508	E	25.4	Very low	26.9	Very low	169 Å²	169	153.1 Å²	153.1	79%	0.79	75%	0.752	S	S	*	*			cis	75.2	120.8	38.9	-53.3	-164.3	125.3	0	0	115.7
1509	L	30.2	Very low	27.1	Very low	135 Å²	135	148.9 Å²	148.9	71%	0.707	75%	0.746	S	S	*	*			trans	23	139.6	137.9	-77.5	166.7	0	0	0	120.4	K1511	L1509-K1511 HydrophobicContact CD2-CB 4.06Å; L1509-K1511 HydrophobicContact CD2-CG 3.98Å
1510	P	31.8	Very low	27.4	Very low	101 Å²	101	144.6 Å²	144.6	66%	0.656	74%	0.739	S	S	*	*				-136.4	156.7	75.4	39.2	-25.8	0	0	0	113.4	I1512	P1510-I1512 HydrophobicContact CB-CG1 4.01Å; P1510-I1512 HydrophobicContact CG-CD1 4.07Å; P1510-I1512 HydrophobicContact CG-CG1 4.06Å
1511	K	26.6	Very low	27.5	Very low	148 Å²	148	145.9 Å²	145.9	64%	0.643	74%	0.743	S	S	*	*			cis	53.5	71.2	32.7	-85.2	-154.4	175.9	-167.7	0	115.8	L1509 E1514	L1509-K1511 HydrophobicContact CD2-CB 4.06Å; L1509-K1511 HydrophobicContact CD2-CG 3.98Å; K1511-E1514 WeakPolarHBondContact CE-OE2 3.47Å; K1511-E1514 IonicContact NZ-OE2 3.87Å; K1511-E1514 PolarHBondContact NZ-OE2 2.61Å
1512	I	26.7	Very low	27.6	Very low	147 Å²	147	145 Å²	145	75%	0.754	74%	0.742	S	S	*	*	S	Bend	trans	-133.2	115.4	166.3	-61.9	179.6	0	0	0	106	P1510	P1510-I1512 HydrophobicContact CB-CG1 4.01Å; P1510-I1512 HydrophobicContact CG-CD1 4.07Å; P1510-I1512 HydrophobicContact CG-CG1 4.06Å
1513	V	29.2	Very low	27.8	Very low	123 Å²	123	146.6 Å²	146.6	75%	0.745	75%	0.745	S	S	*	*			cis	-124.3	133.4	-8.1	171.8	0	0	0	0	109.3	K1515	V1513-K1515 HydrophobicContact CG1-CB 3.97Å
1514	E	23.9	Very low	27.9	Very low	149 Å²	149	148 Å²	148	70%	0.696	75%	0.747	S	S	*	*			trans	-130.7	99.6	161.5	-174.6	-178.9	-128.8	0	0	105.8	K1511	K1511-E1514 WeakPolarHBondContact CE-OE2 3.47Å; K1511-E1514 IonicContact NZ-OE2 3.87Å; K1511-E1514 PolarHBondContact NZ-OE2 2.61Å
1515	K	25.4	Very low	28.1	Very low	174 Å²	174	146.1 Å²	146.1	76%	0.757	75%	0.746	S	S	*	*			trans	-165.3	139.2	-175.4	-130.9	175.9	-175.6	-178.7	0	109.4	V1513	V1513-K1515 HydrophobicContact CG1-CB 3.97Å
1516	L	31.3	Very low	28	Very low	162 Å²	162	147.2 Å²	147.2	85%	0.848	74%	0.744	S	S	*	*			trans	61.6	67.6	-175.2	-46.1	-178.3	0	0	0	111
1517	S	26.4	Very low	28.3	Very low	85 Å²	85	146.1 Å²	146.1	59%	0.594	74%	0.739	S	S	*	*			cis	57.4	111.5	37	80.9	0	0	0	0	114.4
1518	E	26.7	Very low	28.3	Very low	179 Å²	179	144.8 Å²	144.8	84%	0.836	73%	0.733	S	S	*	*			trans	61.5	95.2	147.6	-63.9	166.1	178.9	0	0	118.1
1519	N	32.6	Very low	28.4	Very low	150 Å²	150	146.1 Å²	146.1	80%	0.802	73%	0.732	S	S	*	*			trans	-146.3	100.7	132.6	-109.7	-54	0	0	0	112.2
1520	N	31.8	Very low	28.2	Very low	124 Å²	124	146.2 Å²	146.2	66%	0.663	73%	0.733	S	S	*	*				47	120.7	130	-67.9	-46.4	0	0	0	121.8
1521	M	29.1	Very low	28.1	Very low	145 Å²	145	149 Å²	149	71%	0.714	74%	0.741	S	S	*	*				82.9	103.9	123.9	-66.5	172.9	72.8	0	0	121.3
1522	I	27.2	Very low	28.1	Very low	131 Å²	131	148.5 Å²	148.5	67%	0.672	74%	0.744	S	S	*	*				80.4	136	114.2	-70.6	169.6	0	0	0	120.8
1523	H	31	Very low	28	Very low	161 Å²	161	148.8 Å²	148.8	75%	0.745	75%	0.747	S	S	*	*			trans	74.3	137.2	158.8	-77.1	-39.7	0	0	0	123.5
1524	H	27.9	Very low	28	Very low	171 Å²	171	146.5 Å²	146.5	79%	0.792	75%	0.749	S	S	*	*			trans	-19.6	133.9	157	-49.3	-70.2	0	0	0	117.9
1525	S	30.6	Very low	28.2	Very low	114 Å²	114	147 Å²	147	80%	0.797	75%	0.754	S	S	*	*				-164.8	135.2	98.7	59.9	0	0	0	0	114.5
1526	R	25.1	Very low	28.3	Very low	225 Å²	225	144.6 Å²	144.6	85%	0.849	75%	0.75	S	S	*	*			trans	5	146	144.4	-84.7	178.2	175	154.1	-2	121.4
1527	N	28.9	Very low	28.1	Very low	122 Å²	122	143.3 Å²	143.3	65%	0.652	74%	0.741	S	S	*	*			trans	86.6	105.4	142.6	-65.6	6.2	0	0	0	120.9
1528	N	26.8	Very low	28	Very low	126 Å²	126	147.2 Å²	147.2	67%	0.674	75%	0.747	S	S	*	*				88.2	145.8	120	-66	-1.1	0	0	0	122.4
1529	Y	27.5	Very low	28.1	Very low	197 Å²	197	149.1 Å²	149.1	77%	0.773	77%	0.771	S	S	*	*			trans	65.6	113.8	162	-68.4	-62.6	0	0	0	120.4
1530	N	26	Very low	27.9	Very low	137 Å²	137	149.1 Å²	149.1	73%	0.733	77%	0.77	S	S	*	*				26	121.4	125.1	-54.8	-3.5	0	0	0	117.7
1531	I	29.2	Very low	27.7	Very low	160 Å²	160	150.4 Å²	150.4	82%	0.821	78%	0.775	S	S	*	*				-165.2	132.1	118.8	-102.4	153.9	0	0	0	112.2
1532	L	26.3	Very low	27.6	Very low	136 Å²	136	150.7 Å²	150.7	71%	0.712	78%	0.779	S	S	*	*			trans	7.6	144.1	154.1	-64.3	153.3	0	0	0	122.1
1533	N	25.8	Very low	27.7	Very low	153 Å²	153	151.9 Å²	151.9	82%	0.818	79%	0.785	S	S	*	*			trans	63.2	119	141	-58.4	-12.4	0	0	0	119.6
1534	G	27.9	Very low	27.5	Very low	75 Å²	75	151.3 Å²	151.3	77%	0.773	79%	0.787	S	S	*	*			trans	-160.9	47.8	-177	0	0	0	0	0	117.4
1535	I	29.6	Very low	27.4	Very low	159 Å²	159	150 Å²	150	82%	0.815	79%	0.787	S	S	*	*			trans	46.9	101.1	144.9	-55.6	172.8	0	0	0	118.2
1536	D	26.2	Very low	27.2	Very low	125 Å²	125	152.6 Å²	152.6	67%	0.668	79%	0.786	S	S	*	*				35.9	117.9	116.7	-156.2	8.8	0	0	0	119.8
1537	M	26.8	Very low	27.4	Very low	134 Å²	134	147 Å²	147	66%	0.66	78%	0.781	S	S	*	*				170.6	123.1	111.5	-81.5	-139	-170.9	0	0	114.4
1538	K	24.1	Very low	27.2	Very low	167 Å²	167	149.1 Å²	149.1	73%	0.726	79%	0.792	S	S	*	*			trans	45.6	114.7	138.9	-56.8	166	-173.3	160.5	0	119.7
1539	V	30.6	Very low	27.3	Very low	220 Å²	220	151.2 Å²	151.2	100%	1.333	80%	0.803	S	S	*	*				-141.1	0	80.8	164.4	0	0	0	0	108.8

Retrieved 1,539 of 1,539 residues in 563.6 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).