Q9AS12_ORYSJ Loading...

Peroxidase

Removal of H(2)O(2), oxidation of toxic reductants, biosynthesis and degradation of lignin, suberization, auxin catabolism, response to environmental stresses such as wounding, pathogen attack and oxidative stress.

AlphaFold DB , UniProt , Accession Q9AS12, Species ORYSJ (Oryza sativa subsp. japonica, Rice), Gene prx16, Length 351 aa.

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	47.8	Very low	47.8	Very low	243 Å²	243	165 Å²	165	100%	1.197	86%	0.857	S	S	*	*				0	134.2	0	-75.7	172.6	-179.7	0	0	108.6
2	A	43.9	Very low	48	Very low	99 Å²	99	167.9 Å²	167.9	82%	0.818	86%	0.859	S	S	*	*			trans	42.9	110.2	167.8	0	0	0	0	0	119.1
3	M	45.9	Very low	48	Very low	179 Å²	179	167.2 Å²	167.2	88%	0.882	86%	0.857	S	S	*	*				95.4	100.2	55.6	-167.4	146.3	71.9	0	0	112.9
4	K	42.2	Very low	48.4	Very low	195 Å²	195	162.9 Å²	162.9	85%	0.848	84%	0.841	S	S	*	*			trans	11.5	130.8	144.4	-61.4	171.3	177.1	177	0	118.4
5	C	57.2	Low	48.4	Very low	121 Å²	121	157 Å²	157	82%	0.818	83%	0.827	S	S	*	*			trans	-151.2	106.1	134	-102.4	0	0	0	0	109.9
6	L	46	Very low	48.3	Very low	156 Å²	156	159.6 Å²	159.6	82%	0.817	83%	0.829	S	S	*	*			trans	-88.3	116.7	174.1	-173.4	76.9	0	0	0	107.4
7	F	50.4	Low	48.3	Very low	187 Å²	187	161.2 Å²	161.2	82%	0.82	83%	0.829	S	S	*	*			trans	-89.8	107.6	169.7	-87.3	-86.7	0	0	0	109.3	F9	F7-F9 PolarHBondContact O-N 3.43Å
8	L	46.7	Very low	48.1	Very low	150 Å²	150	158.6 Å²	158.6	79%	0.785	82%	0.824	S	S	*	*			trans	-70.9	112.5	168.7	-83.4	152.8	0	0	0	109.3	F10	L8-F10 PolarHBondContact O-N 3.41Å
9	F	49.4	Very low	47.7	Very low	203 Å²	203	154.9 Å²	154.9	89%	0.89	83%	0.829	S	S	*	*			trans	-78.6	114.3	163.7	-106	-92.8	0	0	0	108.6	F7 A11	F7-F9 PolarHBondContact O-N 3.43Å; F9-A11 PolarHBondContact O-N 3.5Å
10	F	49.6	Very low	47.6	Very low	201 Å²	201	152.3 Å²	152.3	88%	0.882	83%	0.83	S	S	*	*			trans	-65.2	123.1	175.4	-118.9	-98.4	0	0	0	110	L8 F12	L8-F10 PolarHBondContact O-N 3.41Å; F10-F12 PolarHBondContact O-N 3.49Å
11	A	47	Very low	46.8	Very low	81 Å²	81	149.8 Å²	149.8	67%	0.669	83%	0.829	S	S	*	*			trans	-69.3	122.4	172.2	0	0	0	0	0	110.5	F9	F9-A11 PolarHBondContact O-N 3.5Å
12	F	49.9	Very low	46.7	Very low	200 Å²	200	143.2 Å²	143.2	88%	0.877	80%	0.803	S	S	*	*			trans	-93.9	90.9	164.7	-131.8	-92	0	0	0	108.2	F10 V14	F10-F12 PolarHBondContact O-N 3.49Å; F12-V14 HydrophobicContact CD1-CG2 4.1Å; F12-V14 PolarHBondContact O-N 3.1Å
13	L	48.6	Very low	47.1	Very low	159 Å²	159	141 Å²	141	83%	0.832	79%	0.79	S	S	*	*			trans	-75.1	97.2	167.2	-101.3	153.6	0	0	0	108.1	A15	L13-A15 PolarHBondContact O-N 3.24Å; L13-A15 VanDerWaalsContact O-N 3.1Å
14	V	53.4	Low	47.8	Very low	106 Å²	106	135.8 Å²	135.8	64%	0.642	78%	0.775	S	S	*	*			trans	-75.7	93	165	179.7	0	0	0	0	107.3	F12 F16	F12-V14 HydrophobicContact CD1-CG2 4.1Å; F12-V14 PolarHBondContact O-N 3.1Å; V14-F16 HydrophobicContact CG1-CD2 4.26Å; V14-F16 PolarHBondContact O-N 3.19Å
15	A	48.4	Very low	49.7	Very low	75 Å²	75	128.7 Å²	128.7	62%	0.62	76%	0.757	S	S	*	*			trans	-71.4	103.3	168.7	0	0	0	0	0	109.2	L13 F17	L13-A15 PolarHBondContact O-N 3.24Å; L13-A15 VanDerWaalsContact O-N 3.1Å; A15-F17 HydrophobicContact CB-CD2 4.36Å; A15-F17 PolarHBondContact O-N 3.19Å
16	F	46.2	Very low	51.6	Low	198 Å²	198	123.7 Å²	123.7	87%	0.868	72%	0.723	S	S	*	*			trans	-71.1	99.2	163.2	-110.9	-97.7	0	0	0	108.5	V14	V14-F16 HydrophobicContact CG1-CD2 4.26Å; V14-F16 PolarHBondContact O-N 3.19Å
17	F	48.4	Very low	54	Low	187 Å²	187	123 Å²	123	82%	0.82	71%	0.713	S	S	*	*			trans	-109.6	131.3	160.2	-90.7	-83.9	0	0	0	109.1	A15	A15-F17 HydrophobicContact CB-CD2 4.36Å; A15-F17 PolarHBondContact O-N 3.19Å
18	P	45.5	Very low	56.3	Low	114 Å²	114	117.7 Å²	117.7	74%	0.74	70%	0.695	S	S	*	*			trans	-86.9	136.1	-164.6	32.2	-28.9	0	0	0	112.6	A20	P18-A20 PolarHBondContact O-N 3.46Å
19	G	40.4	Very low	58.7	Low	89 Å²	89	111.2 Å²	111.2	92%	0.918	67%	0.665	S	S	*	*			trans	25.3	86.6	157	0	0	0	0	0	118.3
20	A	44.3	Very low	61	Low	103 Å²	103	106.3 Å²	106.3	85%	0.851	64%	0.644	S	S	*	*			trans	-116.8	104.9	162.3	0	0	0	0	0	109.6	P18	P18-A20 PolarHBondContact O-N 3.46Å
21	A	32.2	Very low	63.3	Low	99 Å²	99	97.3 Å²	97.3	82%	0.818	60%	0.604	S	S	*	*			trans	154.7	102.6	145.1	0	0	0	0	0	109.3
22	V	45.3	Very low	65.8	Low	105 Å²	105	98.9 Å²	98.9	64%	0.636	60%	0.601	S	S	*	*			trans	-131.6	105.6	157.1	-172.8	0	0	0	0	107.3
23	G	51.5	Low	68	Low	54 Å²	54	99 Å²	99	56%	0.557	60%	0.601	S	S	*	*	S	Bend	trans	62.9	119.5	156.2	0	0	0	0	0	119	G25 L26	G23-G25 PolarHBondContact O-N 3.16Å; G23-L26 PolarHBondContact O-N 2.94Å
24	A	61.8	Low	70.4	Confident	69 Å²	69	95.3 Å²	95.3	57%	0.57	59%	0.586	S	S	*	*	T	Hydrogen-bonded Turn	trans	52.6	15.9	156.5	0	0	0	0	0	119.2	V309 T311	A24-V309 HydrophobicContact CB-CG2 4.11Å; A24-T311 WeakPolarHBondContact O-CB 3.46Å; A24-T311 VanDerWaalsContact O-CG2 3.26Å; A24-T311 WeakPolarHBondContact O-CG2 3.42Å; A24-T311 PolarHBondContact O-OG1 3.35Å
25	G	82.2	Confident	72.5	Confident	46 Å²	46	90.3 Å²	90.3	47%	0.474	56%	0.556	S	S	.	*	T	Hydrogen-bonded Turn	trans	100.9	0.8	176.8	0	0	0	0	0	115.2	G23	G23-G25 PolarHBondContact O-N 3.16Å
26	L	96.5	Very high	74.9	Confident	16 Å²	16	91.7 Å²	91.7	8%	0.084	56%	0.558	C	S	.	*			trans	-68.7	141.6	171.7	-58.2	-174	0	0	0	111.4	G23 P141 A142 R144 V309 T311	G23-L26 PolarHBondContact O-N 2.94Å; L26-P141 HydrophobicContact CB-CB 3.83Å; L26-P141 HydrophobicContact CD1-CB 4.49Å; L26-A142 CarbonylContact C-O 3.52Å; L26-A142 VanDerWaalsContact CA-O 3.24Å; L26-A142 WeakPolarHBondContact CA-O 3.26Å; L26-R144 HydrophobicContact CD1-CG 4.38Å; L26-R144 HydrophobicContact CD2-CG 3.76Å; L26-V309 HydrophobicContact CD1-CG1 4.21Å; L26-V309 HydrophobicContact CD1-CG2 4.04Å; L26-V309 HydrophobicContact CD2-CG2 4.31Å; L26-V309 HydrophobicContact CG-CG2 4.12Å; L26-T311 HydrophobicContact CD2-CG2 4.02Å
27	K	97	Very high	77.4	Confident	140 Å²	140	83.4 Å²	83.4	61%	0.609	52%	0.524	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-143.2	141.3	179.1	-62.1	-176.9	-174.7	177.5	0	111.3	G29 F30 A142	K27-G29 PolarHBondContact O-N 2.97Å; K27-F30 WeakPolarHBondContact O-CB 3.43Å; K27-F30 PolarHBondContact O-N 3.2Å; K27-A142 PolarHBondContact N-O 3.3Å; K27-A142 PolarHBondContact O-N 2.85Å
28	V	98	Very high	79.8	Confident	76 Å²	76	74.6 Å²	74.6	46%	0.461	49%	0.486	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	132	167.5	170.7	0	0	0	0	108.7	K139 P141	V28-K139 HydrophobicContact CG1-CB 3.89Å; V28-K139 HydrophobicContact CG1-CD 3.77Å; V28-K139 HydrophobicContact CG1-CG 4.35Å; V28-K139 HydrophobicContact CG2-CB 3.87Å; V28-P141 HydrophobicContact CG2-CG 4.22Å
29	G	97.6	Very high	82.3	Confident	15 Å²	15	71.7 Å²	71.7	16%	0.155	46%	0.463	C	S	.	.	T	Hydrogen-bonded Turn	trans	72.7	26.1	-177	0	0	0	0	0	113.9	K27 Y31 N32	K27-G29 PolarHBondContact O-N 2.97Å; G29-Y31 PolarHBondContact O-N 2.86Å; G29-Y31 VanDerWaalsContact O-N 3.14Å; G29-N32 WeakPolarHBondContact CA-OD1 3.35Å; G29-N32 VanDerWaalsContact O-CB 3.27Å; G29-N32 WeakPolarHBondContact O-CB 3.24Å; G29-N32 PolarHBondContact O-N 3.4Å
30	F	98.1	Very high	85.1	Confident	100 Å²	100	74.8 Å²	74.8	44%	0.439	45%	0.447	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.2	-37.8	176.2	-174.2	-92.4	0	0	0	112.5	K27 A142	K27-F30 WeakPolarHBondContact O-CB 3.43Å; K27-F30 PolarHBondContact O-N 3.2Å; F30-A142 HydrophobicContact CB-CB 3.92Å
31	Y	98.1	Very high	87.7	Confident	12 Å²	12	71.2 Å²	71.2	5%	0.047	41%	0.413	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.7	4.9	-178.9	-60	-63.6	0	0	0	115.3	G29 K33 T34 C35 A38 V115 V116 S117 D120 F124 A142	G29-Y31 PolarHBondContact O-N 2.86Å; G29-Y31 VanDerWaalsContact O-N 3.14Å; Y31-K33 PolarHBondContact O-N 2.96Å; Y31-T34 PolarHBondContact O-N 3.31Å; Y31-T34 VanDerWaalsContact O-N 3.16Å; Y31-C35 CarbonylContact O-C 3.3Å; Y31-C35 PolarHBondContact O-N 3.14Å; Y31-A38 HydrophobicContact CD2-CB 4.31Å; Y31-A38 HydrophobicContact CG-CB 4.4Å; Y31-V115 HydrophobicContact CD1-CG1 3.74Å; Y31-V115 HydrophobicContact CE1-CG1 3.97Å; Y31-V115 WeakPolarHBondContact CE1-O 3.36Å; Y31-V116 HydrophobicContact CD1-CG2 4.06Å; Y31-V116 HydrophobicContact CD2-CG1 4.49Å; Y31-V116 HydrophobicContact CD2-CG2 4.42Å; Y31-V116 HydrophobicContact CE1-CB 4.35Å; Y31-V116 HydrophobicContact CE1-CG2 4Å; Y31-V116 HydrophobicContact CE2-CB 4.5Å; Y31-V116 HydrophobicContact CE2-CG1 3.84Å; Y31-V116 HydrophobicContact CE2-CG2 4.35Å; Y31-V116 HydrophobicContact CG-CG2 4.27Å; Y31-S117 PolarHBondContact OH-N 3.46Å; Y31-D120 HydrophobicContact CE2-CB 4.02Å; Y31-D120 PolarHBondContact OH-OD2 3.12Å; Y31-F124 HydrophobicContact CD2-CE2 4.14Å; Y31-F124 HydrophobicContact CD2-CZ 4.08Å; Y31-F124 HydrophobicContact CE2-CE2 4.02Å; Y31-F124 HydrophobicContact CE2-CZ 4.08Å; Y31-A142 HydrophobicContact CD2-CB 4.3Å; Y31-A142 HydrophobicContact CE2-CB 3.95Å
32	N	97.9	Very high	90.9	Very high	114 Å²	114	66.5 Å²	66.5	61%	0.61	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-24.3	-173.6	-78.8	-3.2	0	0	0	114.6	G29 P36	G29-N32 WeakPolarHBondContact CA-OD1 3.35Å; G29-N32 VanDerWaalsContact O-CB 3.27Å; G29-N32 WeakPolarHBondContact O-CB 3.24Å; G29-N32 PolarHBondContact O-N 3.4Å; N32-P36 WeakPolarHBondContact O-CG 3.48Å
33	K	97.7	Very high	93.4	Very high	201 Å²	201	65.2 Å²	65.2	87%	0.874	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.1	-30.6	178.6	-64.3	-174.2	-179.8	-178	0	113.9	Y31	Y31-K33 PolarHBondContact O-N 2.96Å
34	T	97.9	Very high	95.7	Very high	83 Å²	83	67.3 Å²	67.3	51%	0.509	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.4	-33	-171	48.8	0	0	0	0	112.8	Y31	Y31-T34 PolarHBondContact O-N 3.31Å; Y31-T34 VanDerWaalsContact O-N 3.16Å
35	C	98.5	Very high	97.4	Very high	1 Å²	1	64.9 Å²	64.9	1%	0.007	34%	0.336	C	S	.	.			trans	-148	75.7	172.4	-167.5	0	0	0	0	111.1	Y31 S37 A38 C112 V115 V116	Y31-C35 CarbonylContact O-C 3.3Å; Y31-C35 PolarHBondContact O-N 3.14Å; C35-S37 PolarHBondContact O-N 3Å; C35-A38 HydrophobicContact CB-CB 4.05Å; C35-A38 VanDerWaalsContact O-CB 3.29Å; C35-A38 WeakPolarHBondContact O-CB 3.29Å; C35-A38 PolarHBondContact O-N 3Å; C35-C112 WeakPolarHBondContact CA-SG 3.27Å; C35-C112 HydrophobicContact CB-CB 3.44Å; C35-C112 VanDerWaalsContact CB-CB 3.44Å; C35-C112 WeakPolarHBondContact CB-SG 3.37Å; C35-C112 WeakPolarHBondContact SG-CB 2.95Å; C35-C112 CovalentContact SG-SG 2.02Å; C35-C112 PolarHBondContact SG-SG 3.03Å; C35-V115 HydrophobicContact CB-CB 4.47Å; C35-V115 HydrophobicContact CB-CG1 3.92Å; C35-V116 HydrophobicContact CB-CG2 3.99Å
36	P	98.2	Very high	98.2	Very high	104 Å²	104	62.7 Å²	62.7	68%	0.675	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-20.6	-175.7	-19.6	29.7	0	0	0	113.9	N32	N32-P36 WeakPolarHBondContact O-CG 3.48Å
37	S	98.3	Very high	98.3	Very high	23 Å²	23	63.3 Å²	63.3	16%	0.161	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-1.8	178	52	0	0	0	0	114.7	C35 E39 R40 L41	C35-S37 PolarHBondContact O-N 3Å; S37-E39 PolarHBondContact O-N 3.43Å; S37-R40 PolarHBondContact O-N 3.34Å; S37-L41 VanDerWaalsContact O-CG 3.32Å; S37-L41 WeakPolarHBondContact O-CG 3.37Å; S37-L41 PolarHBondContact O-N 2.85Å
38	A	98.6	Very high	98.4	Very high	2 Å²	2	59.8 Å²	59.8	2%	0.017	32%	0.318	C	S	.	.	H	α-helix	trans	-51.6	-61.9	-171.9	0	0	0	0	0	113.1	Y31 C35 R40 L41 V42 V116	Y31-A38 HydrophobicContact CD2-CB 4.31Å; Y31-A38 HydrophobicContact CG-CB 4.4Å; C35-A38 HydrophobicContact CB-CB 4.05Å; C35-A38 VanDerWaalsContact O-CB 3.29Å; C35-A38 WeakPolarHBondContact O-CB 3.29Å; C35-A38 PolarHBondContact O-N 3Å; A38-R40 VanDerWaalsContact C-N 3.26Å; A38-R40 PolarHBondContact O-N 3.14Å; A38-L41 PolarHBondContact O-N 2.79Å; A38-L41 VanDerWaalsContact O-N 3.17Å; A38-V42 WeakPolarHBondContact O-CG2 3.48Å; A38-V42 PolarHBondContact O-N 2.82Å; A38-V42 VanDerWaalsContact O-N 3.13Å; A38-V116 HydrophobicContact CB-CG2 3.83Å
39	E	98.7	Very high	98.4	Very high	54 Å²	54	57.2 Å²	57.2	25%	0.252	31%	0.305	S	S	.	.	H	α-helix	trans	-59.8	-37	-178	-69.2	-170.8	-122.4	0	0	112.3	S37 Q43 F124 R127	S37-E39 PolarHBondContact O-N 3.43Å; E39-Q43 WeakPolarHBondContact O-CB 3.43Å; E39-Q43 PolarHBondContact O-N 2.72Å; E39-F124 HydrophobicContact CG-CD1 3.88Å; E39-F124 HydrophobicContact CG-CD2 4.14Å; E39-F124 HydrophobicContact CG-CE1 3.69Å; E39-F124 HydrophobicContact CG-CE2 3.97Å; E39-F124 HydrophobicContact CG-CG 4.11Å; E39-F124 HydrophobicContact CG-CZ 3.73Å; E39-R127 IonicContact OE2-CZ 3.22Å; E39-R127 IonicContact OE2-NH1 2.67Å; E39-R127 PolarHBondContact OE2-NH1 2.7Å; E39-R127 IonicContact OE2-NH2 2.74Å; E39-R127 PolarHBondContact OE2-NH2 3Å
40	R	98.7	Very high	98.5	Very high	153 Å²	153	58.9 Å²	58.9	58%	0.577	31%	0.308	S	S	*	.	H	α-helix	trans	-67.4	-40.8	178.5	-177.2	-178.6	64	-158.8	-2.3	112	S37 A38 Q43 Q44	S37-R40 PolarHBondContact O-N 3.34Å; A38-R40 VanDerWaalsContact C-N 3.26Å; A38-R40 PolarHBondContact O-N 3.14Å; R40-Q43 PolarHBondContact O-N 3.35Å; R40-Q44 WeakPolarHBondContact O-CB 3.31Å; R40-Q44 VanDerWaalsContact O-CG 3.26Å; R40-Q44 WeakPolarHBondContact O-CG 3.14Å; R40-Q44 PolarHBondContact O-N 3.45Å
41	L	98.8	Very high	98.5	Very high	28 Å²	28	63.2 Å²	63.2	15%	0.147	33%	0.327	C	S	.	.	H	α-helix	trans	-66.2	-40.3	179	-70.9	168	0	0	0	111.2	S37 A38 Q44 A45 V108 A111	S37-L41 VanDerWaalsContact O-CG 3.32Å; S37-L41 WeakPolarHBondContact O-CG 3.37Å; S37-L41 PolarHBondContact O-N 2.85Å; A38-L41 PolarHBondContact O-N 2.79Å; A38-L41 VanDerWaalsContact O-N 3.17Å; L41-Q44 PolarHBondContact O-N 3.31Å; L41-A45 PolarHBondContact O-N 2.73Å; L41-A45 VanDerWaalsContact O-N 3.11Å; L41-V108 HydrophobicContact CB-CG2 3.86Å; L41-V108 HydrophobicContact CD1-CG2 4.28Å; L41-A111 HydrophobicContact CD1-CB 3.57Å
42	V	98.9	Very high	98.4	Very high	0 Å²	0	69.7 Å²	69.7	0%	0	36%	0.362	C	S	.	.	H	α-helix	trans	-62.1	-49	173.1	179.9	0	0	0	0	110.6	A38 Q44 A45 V46 A104 V108 I121 F124 A125	A38-V42 WeakPolarHBondContact O-CG2 3.48Å; A38-V42 PolarHBondContact O-N 2.82Å; A38-V42 VanDerWaalsContact O-N 3.13Å; V42-Q44 VanDerWaalsContact C-N 3.27Å; V42-Q44 PolarHBondContact O-N 3.33Å; V42-A45 PolarHBondContact O-N 3.41Å; V42-A45 VanDerWaalsContact O-N 3.11Å; V42-V46 HydrophobicContact CG1-CG2 4.29Å; V42-V46 WeakPolarHBondContact O-CG2 3.35Å; V42-V46 PolarHBondContact O-N 2.81Å; V42-A104 HydrophobicContact CG1-CB 4.33Å; V42-A104 HydrophobicContact CG2-CB 4.3Å; V42-V108 HydrophobicContact CG2-CG2 4.1Å; V42-I121 HydrophobicContact CG1-CG2 4.39Å; V42-I121 HydrophobicContact CG2-CB 4.4Å; V42-I121 HydrophobicContact CG2-CG1 4.03Å; V42-I121 HydrophobicContact CG2-CG2 4.14Å; V42-F124 HydrophobicContact CB-CB 4.21Å; V42-F124 HydrophobicContact CG1-CB 3.86Å; V42-F124 HydrophobicContact CG2-CB 4.45Å; V42-F124 HydrophobicContact CG2-CD2 4.27Å; V42-A125 HydrophobicContact CG1-CB 3.97Å
43	Q	98.8	Very high	98.4	Very high	78 Å²	78	68.2 Å²	68.2	36%	0.364	35%	0.354	S	S	.	.	H	α-helix	trans	-57.1	-39.9	178.6	-177	-84.2	-20.7	0	0	112.5	E39 R40 A47 D128	E39-Q43 WeakPolarHBondContact O-CB 3.43Å; E39-Q43 PolarHBondContact O-N 2.72Å; R40-Q43 PolarHBondContact O-N 3.35Å; Q43-A47 VanDerWaalsContact O-CB 3.23Å; Q43-A47 WeakPolarHBondContact O-CB 3.18Å; Q43-A47 PolarHBondContact O-N 3.48Å; Q43-D128 WeakPolarHBondContact CA-OD2 3.46Å; Q43-D128 WeakPolarHBondContact CB-OD2 3.14Å; Q43-D128 HydrophobicContact CG-CB 4.46Å; Q43-D128 PolarHBondContact N-OD2 2.7Å
44	Q	98.7	Very high	98.4	Very high	99 Å²	99	61.9 Å²	61.9	46%	0.463	34%	0.336	S	S	.	.	H	α-helix	trans	-65.9	-43.3	176.9	-75.4	172.4	-18.4	0	0	112.2	R40 L41 V42 A47 A48	R40-Q44 WeakPolarHBondContact O-CB 3.31Å; R40-Q44 VanDerWaalsContact O-CG 3.26Å; R40-Q44 WeakPolarHBondContact O-CG 3.14Å; R40-Q44 PolarHBondContact O-N 3.45Å; L41-Q44 PolarHBondContact O-N 3.31Å; V42-Q44 VanDerWaalsContact C-N 3.27Å; V42-Q44 PolarHBondContact O-N 3.33Å; Q44-A47 PolarHBondContact O-N 2.02Å; Q44-A48 WeakPolarHBondContact O-CB 3.44Å; Q44-A48 PolarHBondContact O-N 3.32Å
45	A	98.8	Very high	98.4	Very high	17 Å²	17	58.5 Å²	58.5	14%	0.14	32%	0.317	C	S	.	.	H	α-helix	trans	-62.5	-45.4	176.7	0	0	0	0	0	111.4	L41 V42 A48 A49 A104	L41-A45 PolarHBondContact O-N 2.73Å; L41-A45 VanDerWaalsContact O-N 3.11Å; V42-A45 PolarHBondContact O-N 3.41Å; V42-A45 VanDerWaalsContact O-N 3.11Å; A45-A48 PolarHBondContact O-N 3.3Å; A45-A49 WeakPolarHBondContact O-CB 3.5Å; A45-A49 PolarHBondContact O-N 3.2Å; A45-A104 HydrophobicContact CB-CB 3.8Å
46	V	98.8	Very high	98.4	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-64.1	-46	177.1	176.8	0	0	0	0	111.3	V42 A48 A49 F50 L60 V100 A125 D128 L132	V42-V46 HydrophobicContact CG1-CG2 4.29Å; V42-V46 WeakPolarHBondContact O-CG2 3.35Å; V42-V46 PolarHBondContact O-N 2.81Å; V46-A48 VanDerWaalsContact C-N 3.34Å; V46-A48 PolarHBondContact O-N 2.84Å; V46-A49 PolarHBondContact O-N 3.07Å; V46-F50 VanDerWaalsContact O-CB 3.29Å; V46-F50 WeakPolarHBondContact O-CB 3.46Å; V46-F50 PolarHBondContact O-N 3.45Å; V46-L60 HydrophobicContact CG1-CD1 3.99Å; V46-L60 HydrophobicContact CG2-CD1 4.02Å; V46-V100 HydrophobicContact CG2-CG1 4.04Å; V46-A125 HydrophobicContact CG2-CB 3.72Å; V46-D128 HydrophobicContact CB-CB 4.24Å; V46-D128 HydrophobicContact CG1-CB 4.12Å; V46-D128 HydrophobicContact CG2-CB 4.46Å; V46-L132 HydrophobicContact CG1-CD1 3.84Å
47	A	98.7	Very high	98.4	Very high	29 Å²	29	53.9 Å²	53.9	24%	0.24	29%	0.287	C	S	.	.	H	α-helix	trans	-63	-39.1	179	0	0	0	0	0	112.4	Q43 Q44 F50 K51	Q43-A47 VanDerWaalsContact O-CB 3.23Å; Q43-A47 WeakPolarHBondContact O-CB 3.18Å; Q43-A47 PolarHBondContact O-N 3.48Å; Q44-A47 PolarHBondContact O-N 2.02Å; A47-F50 PolarHBondContact O-N 3.22Å; A47-K51 WeakPolarHBondContact O-CB 3.41Å; A47-K51 PolarHBondContact O-N 2.93Å
48	A	98.6	Very high	98.4	Very high	66 Å²	66	53.6 Å²	53.6	55%	0.545	29%	0.285	S	S	.	.	H	α-helix	trans	-64.2	-45	175.4	0	0	0	0	0	111.6	Q44 A45 V46 K51 N52	Q44-A48 WeakPolarHBondContact O-CB 3.44Å; Q44-A48 PolarHBondContact O-N 3.32Å; A45-A48 PolarHBondContact O-N 3.3Å; V46-A48 VanDerWaalsContact C-N 3.34Å; V46-A48 PolarHBondContact O-N 2.84Å; A48-K51 PolarHBondContact O-N 3.42Å; A48-N52 PolarHBondContact O-N 2.78Å
49	A	98.7	Very high	98.4	Very high	22 Å²	22	53.7 Å²	53.7	18%	0.182	29%	0.286	C	S	.	.	H	α-helix	trans	-64.3	-43.9	176.3	0	0	0	0	0	112	A45 V46 K51 N52 N53 V56 V100	A45-A49 WeakPolarHBondContact O-CB 3.5Å; A45-A49 PolarHBondContact O-N 3.2Å; V46-A49 PolarHBondContact O-N 3.07Å; A49-K51 VanDerWaalsContact C-N 3.33Å; A49-K51 PolarHBondContact O-N 3.29Å; A49-N52 WeakPolarHBondContact O-CB 3.3Å; A49-N52 PolarHBondContact O-N 3.43Å; A49-N53 PolarHBondContact O-N 3.31Å; A49-V56 HydrophobicContact CB-CG1 4.4Å; A49-V56 HydrophobicContact CB-CG2 4.11Å; A49-V100 HydrophobicContact CB-CB 4.31Å; A49-V100 HydrophobicContact CB-CG1 3.84Å; A49-V100 HydrophobicContact CB-CG2 3.49Å; A49-V100 VanDerWaalsContact CB-CG2 3.49Å
50	F	98.5	Very high	98.4	Very high	50 Å²	50	51.1 Å²	51.1	22%	0.219	27%	0.274	C	S	.	.	H	α-helix	trans	-62.4	-38.6	179.6	-176.8	-97.1	0	0	0	112.5	V46 A47 N52 N53 S54 V56 A57 L132 T133	V46-F50 VanDerWaalsContact O-CB 3.29Å; V46-F50 WeakPolarHBondContact O-CB 3.46Å; V46-F50 PolarHBondContact O-N 3.45Å; A47-F50 PolarHBondContact O-N 3.22Å; F50-N52 PolarHBondContact O-N 3.38Å; F50-N53 CarbonylContact O-C 3.58Å; F50-N53 VanDerWaalsContact O-C 3.27Å; F50-N53 PolarHBondContact O-N 3.39Å; F50-S54 WeakPolarHBondContact CE2-O 3.47Å; F50-S54 PolarHBondContact O-N 3.35Å; F50-V56 HydrophobicContact CB-CG2 4.04Å; F50-V56 HydrophobicContact CD2-CG2 4.34Å; F50-A57 HydrophobicContact CD2-CB 3.68Å; F50-A57 HydrophobicContact CE2-CB 3.71Å; F50-L132 HydrophobicContact CB-CD1 3.86Å; F50-L132 HydrophobicContact CD1-CB 4.36Å; F50-L132 HydrophobicContact CD1-CD1 4.24Å; F50-L132 HydrophobicContact CD1-CD2 4.27Å; F50-L132 HydrophobicContact CD2-CD1 4.43Å; F50-L132 HydrophobicContact CE1-CB 4.34Å; F50-L132 HydrophobicContact CG-CB 4.47Å; F50-L132 HydrophobicContact CG-CD1 3.93Å; F50-L132 HydrophobicContact CZ-CB 4.42Å; F50-T133 HydrophobicContact CE2-CG2 3.79Å; F50-T133 HydrophobicContact CZ-CG2 4.12Å
51	K	98	Very high	98.4	Very high	191 Å²	191	44.3 Å²	44.3	83%	0.83	25%	0.249	S	C	*	.	H	α-helix	trans	-59.5	-33	174.2	-175.6	-178.7	177.4	-175.5	0	112.3	A47 A48 A49	A47-K51 WeakPolarHBondContact O-CB 3.41Å; A47-K51 PolarHBondContact O-N 2.93Å; A48-K51 PolarHBondContact O-N 3.42Å; A49-K51 VanDerWaalsContact C-N 3.33Å; A49-K51 PolarHBondContact O-N 3.29Å
52	N	97.6	Very high	98.4	Very high	149 Å²	149	47 Å²	47	80%	0.797	26%	0.257	S	S	*	.	H	α-helix	trans	-83.7	-39.6	178.3	-172.9	59.7	0	0	0	112.4	A48 A49 F50	A48-N52 PolarHBondContact O-N 2.78Å; A49-N52 WeakPolarHBondContact O-CB 3.3Å; A49-N52 PolarHBondContact O-N 3.43Å; F50-N52 PolarHBondContact O-N 3.38Å
53	N	97.4	Very high	98.4	Very high	82 Å²	82	47 Å²	47	44%	0.439	26%	0.257	S	S	.	.			trans	-148.4	108.8	180	176.7	5.7	0	0	0	109.7	A49 F50 G55 V56	A49-N53 PolarHBondContact O-N 3.31Å; F50-N53 CarbonylContact O-C 3.58Å; F50-N53 VanDerWaalsContact O-C 3.27Å; F50-N53 PolarHBondContact O-N 3.39Å; N53-G55 PolarHBondContact O-N 3.13Å; N53-G55 VanDerWaalsContact O-N 3.16Å; N53-G55 WeakPolarHBondContact OD1-CA 3.49Å; N53-G55 PolarHBondContact OD1-N 3.22Å; N53-V56 HydrophobicContact CB-CG1 4.26Å; N53-V56 WeakPolarHBondContact O-CG1 3.47Å; N53-V56 VanDerWaalsContact O-CG2 3.25Å; N53-V56 WeakPolarHBondContact O-CG2 3.38Å; N53-V56 PolarHBondContact O-N 3.37Å
54	S	97.1	Very high	98.4	Very high	69 Å²	69	43.5 Å²	43.5	48%	0.483	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-22	179.3	56.8	0	0	0	0	113.3	F50 V56 A57 P58	F50-S54 WeakPolarHBondContact CE2-O 3.47Å; F50-S54 PolarHBondContact O-N 3.35Å; S54-V56 PolarHBondContact O-N 3.31Å; S54-V56 VanDerWaalsContact O-N 3.13Å; S54-A57 PolarHBondContact O-N 3Å; S54-P58 WeakPolarHBondContact O-CD 2.92Å
55	G	97.3	Very high	98.4	Very high	12 Å²	12	40.8 Å²	40.8	12%	0.124	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-11.8	177.5	0	0	0	0	0	114.8	N53 A57 P58 G59 R96	N53-G55 PolarHBondContact O-N 3.13Å; N53-G55 VanDerWaalsContact O-N 3.16Å; N53-G55 WeakPolarHBondContact OD1-CA 3.49Å; N53-G55 PolarHBondContact OD1-N 3.22Å; G55-A57 VanDerWaalsContact C-N 3.34Å; G55-P58 WeakPolarHBondContact O-CD 3.32Å; G55-P58 WeakPolarHBondContact O-CG 3.44Å; G55-G59 PolarHBondContact O-N 2.82Å; G55-R96 PolarHBondContact O-NE 3.27Å; G55-R96 PolarHBondContact O-NH2 2.92Å
56	V	98.2	Very high	98.4	Very high	7 Å²	7	40.4 Å²	40.4	4%	0.042	22%	0.222	C	C	.	.	H	α-helix	trans	-68.2	-33.1	173.8	-56.9	0	0	0	0	112.1	A49 F50 N53 S54 G59 L60 V100	A49-V56 HydrophobicContact CB-CG1 4.4Å; A49-V56 HydrophobicContact CB-CG2 4.11Å; F50-V56 HydrophobicContact CB-CG2 4.04Å; F50-V56 HydrophobicContact CD2-CG2 4.34Å; N53-V56 HydrophobicContact CB-CG1 4.26Å; N53-V56 WeakPolarHBondContact O-CG1 3.47Å; N53-V56 VanDerWaalsContact O-CG2 3.25Å; N53-V56 WeakPolarHBondContact O-CG2 3.38Å; N53-V56 PolarHBondContact O-N 3.37Å; S54-V56 PolarHBondContact O-N 3.31Å; S54-V56 VanDerWaalsContact O-N 3.13Å; V56-G59 WeakPolarHBondContact O-CA 3.25Å; V56-G59 PolarHBondContact O-N 3.08Å; V56-L60 VanDerWaalsContact O-CG 3.3Å; V56-L60 WeakPolarHBondContact O-CG 3.37Å; V56-L60 PolarHBondContact O-N 3.1Å; V56-V100 HydrophobicContact CB-CG2 4.33Å; V56-V100 HydrophobicContact CG1-CG2 4.19Å
57	A	98.7	Very high	98.4	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-62.1	-54.4	-178.5	0	0	0	0	0	113	F50 S54 G55 G59 L60 I61 S129 T133	F50-A57 HydrophobicContact CD2-CB 3.68Å; F50-A57 HydrophobicContact CE2-CB 3.71Å; S54-A57 PolarHBondContact O-N 3Å; G55-A57 VanDerWaalsContact C-N 3.34Å; A57-G59 PolarHBondContact O-N 3.5Å; A57-L60 PolarHBondContact O-N 3.39Å; A57-I61 WeakPolarHBondContact O-CG1 3.49Å; A57-I61 PolarHBondContact O-N 2.93Å; A57-I61 VanDerWaalsContact O-N 3.15Å; A57-S129 WeakPolarHBondContact O-CB 2.98Å; A57-T133 HydrophobicContact CB-CG2 3.58Å
58	P	98.7	Very high	98.4	Very high	18 Å²	18	39 Å²	39	12%	0.117	21%	0.211	C	C	.	.	H	α-helix	trans	-62.3	-32	173.4	22.4	-31.7	0	0	0	112.2	S54 G55 R62 I192	S54-P58 WeakPolarHBondContact O-CD 2.92Å; G55-P58 WeakPolarHBondContact O-CD 3.32Å; G55-P58 WeakPolarHBondContact O-CG 3.44Å; P58-R62 WeakPolarHBondContact O-CB 3.36Å; P58-R62 PolarHBondContact O-N 3.37Å; P58-I192 HydrophobicContact CB-CB 4.48Å; P58-I192 HydrophobicContact CB-CD1 4.11Å; P58-I192 HydrophobicContact CB-CG1 4.07Å
59	G	98.7	Very high	98.4	Very high	4 Å²	4	35.9 Å²	35.9	4%	0.041	19%	0.185	C	C	.	.	H	α-helix	trans	-59.4	-47.6	174.8	0	0	0	0	0	113.1	G55 V56 A57 R62 L63	G55-G59 PolarHBondContact O-N 2.82Å; V56-G59 WeakPolarHBondContact O-CA 3.25Å; V56-G59 PolarHBondContact O-N 3.08Å; A57-G59 PolarHBondContact O-N 3.5Å; G59-R62 PolarHBondContact O-N 3.46Å; G59-L63 VanDerWaalsContact O-CB 3.3Å; G59-L63 WeakPolarHBondContact O-CB 3.17Å; G59-L63 PolarHBondContact O-N 3.2Å
60	L	98.9	Very high	98.4	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-70.6	-36.8	-179.1	-69.9	167	0	0	0	112.9	V46 V56 A57 L63 H64 V100 I101 A125 S129	V46-L60 HydrophobicContact CG1-CD1 3.99Å; V46-L60 HydrophobicContact CG2-CD1 4.02Å; V56-L60 VanDerWaalsContact O-CG 3.3Å; V56-L60 WeakPolarHBondContact O-CG 3.37Å; V56-L60 PolarHBondContact O-N 3.1Å; A57-L60 PolarHBondContact O-N 3.39Å; L60-L63 PolarHBondContact O-N 3.36Å; L60-H64 PolarHBondContact O-N 3.45Å; L60-V100 HydrophobicContact CD1-CB 4.43Å; L60-V100 HydrophobicContact CD1-CG1 4.08Å; L60-V100 HydrophobicContact CD2-CB 4.4Å; L60-I101 HydrophobicContact CD2-CD1 3.65Å; L60-I101 HydrophobicContact CD2-CG1 3.93Å; L60-A125 HydrophobicContact CD1-CB 4.34Å; L60-A125 HydrophobicContact CD2-CB 4.29Å; L60-S129 WeakPolarHBondContact CD1-OG 3.4Å
61	I	98.9	Very high	98.4	Very high	9 Å²	9	37 Å²	37	5%	0.046	18%	0.183	C	C	.	.	H	α-helix	trans	-62.8	-47.2	173.5	-65.4	166.6	0	0	0	109.8	A57 H64 F65 V130 A189 I192 M301	A57-I61 WeakPolarHBondContact O-CG1 3.49Å; A57-I61 PolarHBondContact O-N 2.93Å; A57-I61 VanDerWaalsContact O-N 3.15Å; I61-H64 PolarHBondContact O-N 3.31Å; I61-F65 PolarHBondContact O-N 3.32Å; I61-V130 HydrophobicContact CD1-CG2 3.64Å; I61-V130 HydrophobicContact CG1-CG2 4.03Å; I61-A189 HydrophobicContact CG2-CB 4.25Å; I61-I192 HydrophobicContact CD1-CD1 3.93Å; I61-M301 HydrophobicContact CG2-CE 4.3Å
62	R	98.8	Very high	98.4	Very high	84 Å²	84	28 Å²	28	32%	0.317	14%	0.144	S	C	.	.	H	α-helix	trans	-63.4	-41.4	176.7	-174.2	173.6	-178.5	-104	-2.9	111.9	P58 G59 H64 F65 H66 P90 S94 L95	P58-R62 WeakPolarHBondContact O-CB 3.36Å; P58-R62 PolarHBondContact O-N 3.37Å; G59-R62 PolarHBondContact O-N 3.46Å; R62-H64 VanDerWaalsContact C-N 3.31Å; R62-H64 PolarHBondContact O-N 3.47Å; R62-F65 WeakPolarHBondContact O-CB 3.14Å; R62-F65 PolarHBondContact O-N 3.41Å; R62-H66 VanDerWaalsContact CZ-CE1 3.41Å; R62-H66 PolarHBondContact NE-NE2 3.05Å; R62-H66 PolarHBondContact NH2-CE1 3Å; R62-H66 PolarHBondContact NH2-NE2 3.12Å; R62-H66 PolarHBondContact O-CD2 2.98Å; R62-H66 PolarHBondContact O-N 2.56Å; R62-P90 PolarHBondContact NH2-O 2.81Å; R62-S94 PolarHBondContact NH1-O 2.69Å; R62-S94 PolarHBondContact NH1-OG 3.21Å; R62-S94 PolarHBondContact NH2-OG 2.84Å; R62-L95 HydrophobicContact CG-CD2 4.1Å
63	L	98.9	Very high	98.5	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-60.4	-41	177.2	-175.5	59.3	0	0	0	111.6	G59 L60 H66 D67 V77 L78 L95 F98 I101 L122	G59-L63 VanDerWaalsContact O-CB 3.3Å; G59-L63 WeakPolarHBondContact O-CB 3.17Å; G59-L63 PolarHBondContact O-N 3.2Å; L60-L63 PolarHBondContact O-N 3.36Å; L63-H66 PolarHBondContact O-N 3.32Å; L63-D67 WeakPolarHBondContact O-CB 3.35Å; L63-D67 PolarHBondContact O-N 2.71Å; L63-V77 HydrophobicContact CD1-CB 4.47Å; L63-V77 HydrophobicContact CD1-CG1 3.71Å; L63-V77 HydrophobicContact CD1-CG2 3.88Å; L63-V77 HydrophobicContact CG-CG1 4.4Å; L63-L78 HydrophobicContact CD1-CD2 4.18Å; L63-L78 HydrophobicContact CD2-CD2 3.78Å; L63-L78 HydrophobicContact CG-CD2 4.19Å; L63-L95 HydrophobicContact CD1-CD1 3.87Å; L63-L95 HydrophobicContact CD1-CD2 4.25Å; L63-F98 HydrophobicContact CD1-CD1 4.34Å; L63-F98 HydrophobicContact CD1-CE1 3.6Å; L63-F98 HydrophobicContact CD1-CZ 4.03Å; L63-F98 HydrophobicContact CD2-CD1 4.13Å; L63-F98 HydrophobicContact CD2-CE1 4.22Å; L63-I101 HydrophobicContact CD2-CG1 4.16Å; L63-L122 HydrophobicContact CB-CD1 4.04Å; L63-L122 HydrophobicContact CD2-CD1 3.84Å; L63-L122 HydrophobicContact CG-CD1 3.75Å; L63-L122 HydrophobicContact CG-CD2 4.08Å
64	H	98.9	Very high	98.5	Very high	5 Å²	5	17 Å²	17	2%	0.023	9%	0.085	C	C	.	.	H	α-helix	trans	-68.6	-37.2	175.3	-172.7	37.2	0	0	0	113.1	L60 I61 R62 C68 L122 A126	L60-H64 PolarHBondContact O-N 3.45Å; I61-H64 PolarHBondContact O-N 3.31Å; R62-H64 VanDerWaalsContact C-N 3.31Å; R62-H64 PolarHBondContact O-N 3.47Å; H64-C68 PolarHBondContact CE1-SG 2.74Å; H64-C68 WeakPolarHBondContact O-CB 3.1Å; H64-C68 PolarHBondContact O-N 3Å; H64-C68 PolarHBondContact O-SG 2.86Å; H64-L122 HydrophobicContact CB-CD1 4.16Å; H64-L122 HydrophobicContact CB-CD2 4.49Å; H64-L122 HydrophobicContact CB-CG 3.95Å; H64-A126 HydrophobicContact CB-CB 3.69Å
65	F	98.9	Very high	98.6	Very high	43 Å²	43	13.7 Å²	13.7	19%	0.189	6%	0.062	C	C	.	.	H	α-helix	trans	-60.8	-47	171.4	163	-121.6	0	0	0	111.5	I61 R62 D67 C68 F69 P160 F173 M304	I61-F65 PolarHBondContact O-N 3.32Å; R62-F65 WeakPolarHBondContact O-CB 3.14Å; R62-F65 PolarHBondContact O-N 3.41Å; F65-D67 PolarHBondContact O-N 2.7Å; F65-C68 PolarHBondContact O-N 2.79Å; F65-F69 AromaticContact CD2-CD2 3.53Å; F65-F69 HydrophobicContact CD2-CD2 3.53Å; F65-F69 AromaticContact CD2-CE2 3.67Å; F65-F69 HydrophobicContact CD2-CE2 3.67Å; F65-F69 HydrophobicContact CD2-CG 4.05Å; F65-F69 HydrophobicContact CD2-CZ 4.26Å; F65-F69 HydrophobicContact CE2-CB 4.46Å; F65-F69 AromaticContact CE2-CD1 3.68Å; F65-F69 HydrophobicContact CE2-CD1 3.68Å; F65-F69 AromaticContact CE2-CD2 3.38Å; F65-F69 HydrophobicContact CE2-CD2 3.38Å; F65-F69 AromaticContact CE2-CE1 3.66Å; F65-F69 HydrophobicContact CE2-CE1 3.66Å; F65-F69 AromaticContact CE2-CE2 3.38Å; F65-F69 HydrophobicContact CE2-CE2 3.38Å; F65-F69 AromaticContact CE2-CG 3.55Å; F65-F69 HydrophobicContact CE2-CG 3.55Å; F65-F69 AromaticContact CE2-CZ 3.52Å; F65-F69 HydrophobicContact CE2-CZ 3.52Å; F65-F69 HydrophobicContact CZ-CD1 4.11Å; F65-F69 HydrophobicContact CZ-CD2 4.45Å; F65-F69 HydrophobicContact CZ-CE1 4.23Å; F65-F69 HydrophobicContact CZ-CG 4.23Å; F65-F69 HydrophobicContact CZ-CZ 4.48Å; F65-F69 PolarHBondContact O-N 3Å; F65-F69 VanDerWaalsContact O-N 3.07Å; F65-P160 HydrophobicContact CZ-CG 3.84Å; F65-F173 HydrophobicContact CE2-CZ 4.2Å; F65-M304 HydrophobicContact CB-CE 4.17Å; F65-M304 HydrophobicContact CB-SD 4.06Å; F65-M304 HydrophobicContact CD2-SD 3.85Å; F65-M304 HydrophobicContact CG-SD 4.44Å
66	H	98.8	Very high	98.7	Very high	8 Å²	8	13.1 Å²	13.1	4%	0.037	6%	0.056	C	C	.	.	H	α-helix	trans	-64.4	-40.5	-179.6	-78.9	-131.7	0	0	0	112.2	R62 L63 V70 V77 N91 L95 L159	R62-H66 VanDerWaalsContact CZ-CE1 3.41Å; R62-H66 PolarHBondContact NE-NE2 3.05Å; R62-H66 PolarHBondContact NH2-CE1 3Å; R62-H66 PolarHBondContact NH2-NE2 3.12Å; R62-H66 PolarHBondContact O-CD2 2.98Å; R62-H66 PolarHBondContact O-N 2.56Å; L63-H66 PolarHBondContact O-N 3.32Å; H66-V70 WeakPolarHBondContact O-CG2 3.32Å; H66-V70 PolarHBondContact O-N 2.77Å; H66-V77 HydrophobicContact CB-CG2 4.34Å; H66-N91 PolarHBondContact CE1-OD1 2.64Å; H66-N91 VanDerWaalsContact CE1-OD1 3.28Å; H66-N91 PolarHBondContact ND1-OD1 2.69Å; H66-L95 HydrophobicContact CB-CD1 4.4Å; H66-L95 HydrophobicContact CB-CD2 4.41Å; H66-L159 HydrophobicContact CB-CD2 4.28Å; H66-L159 WeakPolarHBondContact ND1-CD1 3.48Å
67	D	98.9	Very high	98.7	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-54.6	-62.3	170.1	-171.8	41.8	0	0	0	110.4	L63 F65 F69 V70 G72 C73 A75 S76 V77 L122	L63-D67 WeakPolarHBondContact O-CB 3.35Å; L63-D67 PolarHBondContact O-N 2.71Å; F65-D67 PolarHBondContact O-N 2.7Å; D67-F69 PolarHBondContact O-N 3.07Å; D67-V70 CarbonylContact O-C 3.54Å; D67-V70 PolarHBondContact O-N 2.92Å; D67-G72 CarbonylContact C-O 3.09Å; D67-G72 CarbonylContact O-C 3.4Å; D67-C73 WeakPolarHBondContact OD2-CA 3.41Å; D67-A75 WeakPolarHBondContact OD1-CA 3.17Å; D67-A75 PolarHBondContact OD1-N 3.45Å; D67-A75 PolarHBondContact OD2-N 3.25Å; D67-S76 PolarHBondContact OD1-N 3.41Å; D67-V77 HydrophobicContact CB-CB 4.46Å; D67-V77 HydrophobicContact CB-CG1 3.63Å; D67-L122 HydrophobicContact CB-CD2 3.68Å
68	C	98.8	Very high	98.7	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-60.3	-23.4	-174.2	-69.2	0	0	0	0	115.1	H64 F65 C73 M304 I307	H64-C68 PolarHBondContact CE1-SG 2.74Å; H64-C68 WeakPolarHBondContact O-CB 3.1Å; H64-C68 PolarHBondContact O-N 3Å; H64-C68 PolarHBondContact O-SG 2.86Å; F65-C68 PolarHBondContact O-N 2.79Å; C68-C73 VanDerWaalsContact CA-SG 3.55Å; C68-C73 HydrophobicContact CB-CB 4.21Å; C68-C73 WeakPolarHBondContact CB-SG 3.46Å; C68-C73 WeakPolarHBondContact SG-CB 3.11Å; C68-C73 CovalentContact SG-SG 2.04Å; C68-C73 PolarHBondContact SG-SG 3.46Å; C68-M304 HydrophobicContact CB-CG 3.96Å; C68-M304 PolarHBondContact SG-O 3.19Å; C68-I307 HydrophobicContact CB-CD1 4.33Å; C68-I307 VanDerWaalsContact O-CG2 3.26Å; C68-I307 WeakPolarHBondContact O-CG2 3.29Å
69	F	98.8	Very high	98.7	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-87.7	-13.7	178.7	-90.3	-123.7	0	0	0	113.2	F65 D67 N158 L159 F173 K176 L178 M304 I307	F65-F69 AromaticContact CD2-CD2 3.53Å; F65-F69 HydrophobicContact CD2-CD2 3.53Å; F65-F69 AromaticContact CD2-CE2 3.67Å; F65-F69 HydrophobicContact CD2-CE2 3.67Å; F65-F69 HydrophobicContact CD2-CG 4.05Å; F65-F69 HydrophobicContact CD2-CZ 4.26Å; F65-F69 HydrophobicContact CE2-CB 4.46Å; F65-F69 AromaticContact CE2-CD1 3.68Å; F65-F69 HydrophobicContact CE2-CD1 3.68Å; F65-F69 AromaticContact CE2-CD2 3.38Å; F65-F69 HydrophobicContact CE2-CD2 3.38Å; F65-F69 AromaticContact CE2-CE1 3.66Å; F65-F69 HydrophobicContact CE2-CE1 3.66Å; F65-F69 AromaticContact CE2-CE2 3.38Å; F65-F69 HydrophobicContact CE2-CE2 3.38Å; F65-F69 AromaticContact CE2-CG 3.55Å; F65-F69 HydrophobicContact CE2-CG 3.55Å; F65-F69 AromaticContact CE2-CZ 3.52Å; F65-F69 HydrophobicContact CE2-CZ 3.52Å; F65-F69 HydrophobicContact CZ-CD1 4.11Å; F65-F69 HydrophobicContact CZ-CD2 4.45Å; F65-F69 HydrophobicContact CZ-CE1 4.23Å; F65-F69 HydrophobicContact CZ-CG 4.23Å; F65-F69 HydrophobicContact CZ-CZ 4.48Å; F65-F69 PolarHBondContact O-N 3Å; F65-F69 VanDerWaalsContact O-N 3.07Å; D67-F69 PolarHBondContact O-N 3.07Å; F69-N158 WeakPolarHBondContact O-CB 3.23Å; F69-L159 HydrophobicContact CB-CD2 3.75Å; F69-F173 HydrophobicContact CE1-CD2 4.07Å; F69-F173 HydrophobicContact CE1-CE2 4.07Å; F69-F173 HydrophobicContact CE1-CG 4.34Å; F69-F173 HydrophobicContact CE1-CZ 4.32Å; F69-F173 AromaticContact CZ-CD1 3.84Å; F69-F173 HydrophobicContact CZ-CD1 3.84Å; F69-F173 HydrophobicContact CZ-CD2 4.13Å; F69-F173 AromaticContact CZ-CE1 3.8Å; F69-F173 HydrophobicContact CZ-CE1 3.8Å; F69-F173 HydrophobicContact CZ-CE2 4.11Å; F69-F173 HydrophobicContact CZ-CG 4.01Å; F69-F173 AromaticContact CZ-CZ 3.94Å; F69-F173 HydrophobicContact CZ-CZ 3.94Å; F69-K176 HydrophobicContact CD1-CG 3.97Å; F69-K176 HydrophobicContact CD2-CG 4.38Å; F69-K176 HydrophobicContact CE1-CB 4.46Å; F69-K176 HydrophobicContact CE1-CG 3.95Å; F69-K176 HydrophobicContact CE2-CB 4.33Å; F69-K176 HydrophobicContact CE2-CG 4.34Å; F69-K176 HydrophobicContact CG-CG 4.19Å; F69-K176 HydrophobicContact CZ-CB 4.18Å; F69-K176 HydrophobicContact CZ-CG 4.13Å; F69-K176 WeakPolarHBondContact O-CE 3.41Å; F69-K176 PolarHBondContact O-NZ 2.82Å; F69-K176 VanDerWaalsContact O-NZ 3.09Å; F69-L178 HydrophobicContact CE2-CD1 3.76Å; F69-L178 HydrophobicContact CZ-CD1 3.82Å; F69-M304 HydrophobicContact CE2-CG 4.35Å; F69-I307 HydrophobicContact CD2-CD1 4.41Å; F69-I307 HydrophobicContact CE2-CD1 4.12Å
70	V	98.7	Very high	98.7	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	7%	0.069	C	C	.	.	S	Bend	trans	-119.1	110.2	-179.8	-172.6	0	0	0	0	108.6	H66 D67 G72 S76 E85 D154 A155 N158 L159	H66-V70 WeakPolarHBondContact O-CG2 3.32Å; H66-V70 PolarHBondContact O-N 2.77Å; D67-V70 CarbonylContact O-C 3.54Å; D67-V70 PolarHBondContact O-N 2.92Å; V70-G72 PolarHBondContact O-N 3.09Å; V70-S76 PolarHBondContact O-OG 2.79Å; V70-E85 VanDerWaalsContact CG1-CD 3.41Å; V70-E85 HydrophobicContact CG1-CG 4.03Å; V70-D154 HydrophobicContact CG1-CB 3.61Å; V70-A155 HydrophobicContact CG2-CB 4.22Å; V70-N158 HydrophobicContact CG2-CB 4.39Å; V70-L159 HydrophobicContact CG2-CD1 4.41Å; V70-L159 HydrophobicContact CG2-CD2 4.11Å; V70-L159 HydrophobicContact CG2-CG 4.01Å
71	R	97.9	Very high	98.6	Very high	97 Å²	97	17.7 Å²	17.7	37%	0.366	9%	0.088	S	C	.	.	S	Bend	trans	58	14	-176.5	-58.1	-177.3	170.5	-89	-8.2	115.9	D154	R71-D154 IonicContact CZ-OD2 3.96Å; R71-D154 IonicContact NE-OD2 3.57Å; R71-D154 PolarHBondContact NE-OD2 2.95Å; R71-D154 IonicContact NH2-OD1 3.35Å; R71-D154 IonicContact NH2-OD2 3.96Å; R71-D154 PolarHBondContact NH2-OD2 3.49Å
72	G	98.4	Very high	98.5	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.124	C	C	.	.	S	Bend	trans	89.4	179.3	179.7	0	0	0	0	0	112.6	D67 V70 D74 I307	D67-G72 CarbonylContact C-O 3.09Å; D67-G72 CarbonylContact O-C 3.4Å; V70-G72 PolarHBondContact O-N 3.09Å; G72-D74 PolarHBondContact O-N 2.79Å; G72-I307 VanDerWaalsContact CA-O 3.32Å; G72-I307 WeakPolarHBondContact CA-O 3.45Å
73	C	98.7	Very high	98.4	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.141	C	C	.	.	S	Bend	trans	-78	73.3	178.8	-40.7	0	0	0	0	110.2	D67 C68 R144 M304 G305 I307 V309	D67-C73 WeakPolarHBondContact OD2-CA 3.41Å; C68-C73 VanDerWaalsContact CA-SG 3.55Å; C68-C73 HydrophobicContact CB-CB 4.21Å; C68-C73 WeakPolarHBondContact CB-SG 3.46Å; C68-C73 WeakPolarHBondContact SG-CB 3.11Å; C68-C73 CovalentContact SG-SG 2.04Å; C68-C73 PolarHBondContact SG-SG 3.46Å; C73-R144 WeakPolarHBondContact O-CD 3.47Å; C73-M304 PolarHBondContact SG-O 3.35Å; C73-G305 VanDerWaalsContact SG-CA 3.54Å; C73-G305 PolarHBondContact SG-O 3.49Å; C73-G305 VanDerWaalsContact SG-O 3.38Å; C73-I307 PolarHBondContact N-O 2.83Å; C73-V309 HydrophobicContact CB-CG1 4.07Å
74	D	98.6	Very high	98.4	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.144	C	C	.	.	S	Bend	trans	-121	10.2	-175	85.4	-13.3	0	0	0	113.4	G72 S76 D146 G147 K310	G72-D74 PolarHBondContact O-N 2.79Å; D74-S76 PolarHBondContact O-N 2.99Å; D74-S76 WeakPolarHBondContact OD1-CB 3.45Å; D74-S76 PolarHBondContact OD1-N 3.38Å; D74-S76 PolarHBondContact OD1-OG 3.01Å; D74-D146 CarbonylContact O-C 3.35Å; D74-D146 VanDerWaalsContact O-CA 3.26Å; D74-D146 WeakPolarHBondContact O-CA 3.47Å; D74-G147 PolarHBondContact O-N 3.22Å; D74-G147 VanDerWaalsContact OD2-CA 3.23Å; D74-G147 WeakPolarHBondContact OD2-CA 3.26Å; D74-K310 HydrophobicContact CB-CD 4.05Å; D74-K310 HydrophobicContact CB-CG 4.33Å; D74-K310 WeakPolarHBondContact OD2-CE 3.45Å; D74-K310 IonicContact OD2-NZ 3.76Å; D74-K310 PolarHBondContact OD2-NZ 3.14Å
75	A	98.8	Very high	98.4	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.143	C	C	.	.	S	Bend	trans	61	19.5	-177.9	0	0	0	0	0	115.2	D67 V77 L78 C118 A119 R319	D67-A75 WeakPolarHBondContact OD1-CA 3.17Å; D67-A75 PolarHBondContact OD1-N 3.45Å; D67-A75 PolarHBondContact OD2-N 3.25Å; A75-V77 PolarHBondContact O-N 2.9Å; A75-L78 HydrophobicContact CB-CD1 3.8Å; A75-L78 HydrophobicContact CB-CG 4.12Å; A75-L78 WeakPolarHBondContact O-CB 3.16Å; A75-L78 PolarHBondContact O-N 3.49Å; A75-C118 HydrophobicContact CB-CB 3.93Å; A75-A119 HydrophobicContact CB-CB 3.96Å; A75-R319 PolarHBondContact O-NH2 3.42Å
76	S	98.8	Very high	98.3	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.139	C	C	.	.	G	3₁₀ helix	trans	-54.2	-37.2	172.9	61.6	0	0	0	0	112.1	D67 V70 D74 L78 I79 E85 V149 S150	D67-S76 PolarHBondContact OD1-N 3.41Å; V70-S76 PolarHBondContact O-OG 2.79Å; D74-S76 PolarHBondContact O-N 2.99Å; D74-S76 WeakPolarHBondContact OD1-CB 3.45Å; D74-S76 PolarHBondContact OD1-N 3.38Å; D74-S76 PolarHBondContact OD1-OG 3.01Å; S76-L78 PolarHBondContact O-N 2.69Å; S76-I79 WeakPolarHBondContact O-CB 3.42Å; S76-I79 PolarHBondContact O-N 3.44Å; S76-I79 VanDerWaalsContact O-N 3.09Å; S76-E85 WeakPolarHBondContact CB-OE1 3.46Å; S76-E85 PolarHBondContact OG-OE1 3.1Å; S76-V149 WeakPolarHBondContact CB-O 3.4Å; S76-S150 VanDerWaalsContact O-CB 3.31Å; S76-S150 WeakPolarHBondContact O-CB 3.34Å; S76-S150 PolarHBondContact O-OG 3.04Å; S76-S150 VanDerWaalsContact O-OG 3.05Å
77	V	98.8	Very high	98.3	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	-59.9	-18.6	177.7	74.6	0	0	0	0	113.7	L63 H66 D67 A75 E85 K86 L95 L122	L63-V77 HydrophobicContact CD1-CB 4.47Å; L63-V77 HydrophobicContact CD1-CG1 3.71Å; L63-V77 HydrophobicContact CD1-CG2 3.88Å; L63-V77 HydrophobicContact CG-CG1 4.4Å; H66-V77 HydrophobicContact CB-CG2 4.34Å; D67-V77 HydrophobicContact CB-CB 4.46Å; D67-V77 HydrophobicContact CB-CG1 3.63Å; A75-V77 PolarHBondContact O-N 2.9Å; V77-E85 WeakPolarHBondContact CA-OE2 3.31Å; V77-E85 WeakPolarHBondContact CB-OE2 3.04Å; V77-E85 PolarHBondContact N-OE2 3.08Å; V77-K86 WeakPolarHBondContact O-CE 3.44Å; V77-K86 WeakPolarHBondContact O-CG 3.43Å; V77-L95 HydrophobicContact CG2-CD1 3.67Å; V77-L122 HydrophobicContact CG1-CD2 4.29Å
78	L	98.9	Very high	98.3	Very high	3 Å²	3	28.3 Å²	28.3	2%	0.016	16%	0.155	C	C	.	.	G	3₁₀ helix	trans	-86.5	-13.1	-179.1	-56.3	-176	0	0	0	113.4	L63 A75 S76 K86 F98 I101 C118 L122 C322 R323	L63-L78 HydrophobicContact CD1-CD2 4.18Å; L63-L78 HydrophobicContact CD2-CD2 3.78Å; L63-L78 HydrophobicContact CG-CD2 4.19Å; A75-L78 HydrophobicContact CB-CD1 3.8Å; A75-L78 HydrophobicContact CB-CG 4.12Å; A75-L78 WeakPolarHBondContact O-CB 3.16Å; A75-L78 PolarHBondContact O-N 3.49Å; S76-L78 PolarHBondContact O-N 2.69Å; L78-K86 WeakPolarHBondContact O-CE 3.34Å; L78-K86 PolarHBondContact O-NZ 2.85Å; L78-F98 HydrophobicContact CD2-CD1 3.91Å; L78-F98 HydrophobicContact CD2-CE1 4.14Å; L78-I101 HydrophobicContact CD1-CG2 3.76Å; L78-C118 HydrophobicContact CD1-CB 3.92Å; L78-L122 HydrophobicContact CD2-CD2 4.47Å; L78-C322 CarbonylContact C-O 3.5Å; L78-C322 HydrophobicContact CB-CB 4.39Å; L78-C322 WeakPolarHBondContact CB-O 3.27Å; L78-C322 HydrophobicContact CD1-CB 3.87Å; L78-C322 VanDerWaalsContact O-O 3.09Å; L78-R323 WeakPolarHBondContact O-CA 3.46Å
79	I	98.7	Very high	98.1	Very high	13 Å²	13	32.8 Å²	32.8	7%	0.067	18%	0.184	C	C	.	.			trans	-68.6	132.7	-179.1	-62.4	172.5	0	0	0	110	S76 T84 K86 R323 V325	S76-I79 WeakPolarHBondContact O-CB 3.42Å; S76-I79 PolarHBondContact O-N 3.44Å; S76-I79 VanDerWaalsContact O-N 3.09Å; I79-T84 HydrophobicContact CG2-CG2 4.2Å; I79-K86 WeakPolarHBondContact O-CE 3.44Å; I79-R323 WeakPolarHBondContact CA-O 3.3Å; I79-V325 HydrophobicContact CD1-CG2 3.95Å
80	D	98.4	Very high	98	Very high	71 Å²	71	34.4 Å²	34.4	38%	0.38	19%	0.194	S	C	.	.			trans	-91.6	146.5	170.7	-74	-31.5	0	0	0	110.2	K86 R323	D80-K86 VanDerWaalsContact OD1-CD 3.23Å; D80-K86 WeakPolarHBondContact OD1-CD 3.15Å; D80-K86 WeakPolarHBondContact OD1-CE 3.44Å; D80-K86 IonicContact OD1-NZ 2.84Å; D80-K86 PolarHBondContact OD1-NZ 2.8Å; D80-K86 IonicContact OD2-NZ 2.64Å; D80-R323 HydrophobicContact CB-CB 4.4Å; D80-R323 PolarHBondContact N-O 2.86Å; D80-R323 IonicContact OD1-NH1 3.49Å; D80-R323 PolarHBondContact OD1-NH1 2.88Å; D80-R323 WeakPolarHBondContact OD2-CB 3.27Å; D80-R323 WeakPolarHBondContact OD2-CD 3.43Å; D80-R323 VanDerWaalsContact OD2-CG 3.27Å; D80-R323 WeakPolarHBondContact OD2-CG 3.47Å; D80-R323 IonicContact OD2-CZ 3.25Å; D80-R323 IonicContact OD2-NE 3.07Å; D80-R323 IonicContact OD2-NH1 3.57Å; D80-R323 PolarHBondContact OD2-NH1 3.46Å
81	G	96.5	Very high	98	Very high	39 Å²	39	34.6 Å²	34.6	40%	0.402	20%	0.195	S	C	.	.	S	Bend	trans	155.9	170.4	175.9	0	0	0	0	0	112.1	T84	G81-T84 PolarHBondContact O-OG1 2.9Å
82	N	96.2	Very high	97.9	Very high	152 Å²	152	34.6 Å²	34.6	81%	0.813	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.2	144.7	169.5	-66.4	-8.8	0	0	0	109.4	T84	N82-T84 PolarHBondContact O-N 3.12Å
83	D	96.8	Very high	97.7	Very high	126 Å²	126	38.8 Å²	38.8	67%	0.674	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.3	22.4	177.7	-52.6	-42.9	0	0	0	115.1	I151 A152	D83-I151 CarbonylContact O-C 3.49Å; D83-I151 WeakPolarHBondContact O-CA 3.49Å; D83-A152 PolarHBondContact O-N 2.8Å
84	T	98.4	Very high	97.6	Very high	10 Å²	10	40.2 Å²	40.2	6%	0.061	24%	0.24	C	C	.	.	S	Bend	trans	-83.2	167	171.3	59.2	0	0	0	0	110.8	I79 G81 N82 K86 T87 A152	I79-T84 HydrophobicContact CG2-CG2 4.2Å; G81-T84 PolarHBondContact O-OG1 2.9Å; N82-T84 PolarHBondContact O-N 3.12Å; T84-K86 PolarHBondContact O-N 2.73Å; T84-T87 PolarHBondContact O-N 3.23Å; T84-T87 PolarHBondContact O-OG1 3.48Å; T84-A152 WeakPolarHBondContact O-CA 3.42Å; T84-A152 WeakPolarHBondContact O-CB 2.85Å
85	E	98.8	Very high	97.6	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-52.8	-33.3	178	-71.5	172.1	-130	0	0	113.1	V70 S76 V77 T87 A88 N91 S150 I151 A155	V70-E85 VanDerWaalsContact CG1-CD 3.41Å; V70-E85 HydrophobicContact CG1-CG 4.03Å; S76-E85 WeakPolarHBondContact CB-OE1 3.46Å; S76-E85 PolarHBondContact OG-OE1 3.1Å; V77-E85 WeakPolarHBondContact CA-OE2 3.31Å; V77-E85 WeakPolarHBondContact CB-OE2 3.04Å; V77-E85 PolarHBondContact N-OE2 3.08Å; E85-T87 PolarHBondContact O-N 3.43Å; E85-A88 WeakPolarHBondContact O-CB 3.41Å; E85-A88 PolarHBondContact O-N 3.45Å; E85-A88 VanDerWaalsContact O-N 3.08Å; E85-N91 VanDerWaalsContact O-CB 3.28Å; E85-N91 WeakPolarHBondContact O-CB 3.36Å; E85-N91 PolarHBondContact O-ND2 2.74Å; E85-S150 WeakPolarHBondContact CB-OG 3.36Å; E85-S150 WeakPolarHBondContact CG-OG 3.48Å; E85-S150 PolarHBondContact N-OG 3.12Å; E85-S150 PolarHBondContact OE1-OG 2.88Å; E85-I151 WeakPolarHBondContact CG-O 3.37Å; E85-A155 HydrophobicContact CB-CB 4.4Å; E85-A155 HydrophobicContact CG-CB 4.22Å
86	K	98.6	Very high	97.5	Very high	24 Å²	24	44.9 Å²	44.9	10%	0.104	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-62.6	-24.6	179	-69.1	-170.7	-168.3	179.5	0	113.9	V77 L78 I79 D80 T84 N92 F98	V77-K86 WeakPolarHBondContact O-CE 3.44Å; V77-K86 WeakPolarHBondContact O-CG 3.43Å; L78-K86 WeakPolarHBondContact O-CE 3.34Å; L78-K86 PolarHBondContact O-NZ 2.85Å; I79-K86 WeakPolarHBondContact O-CE 3.44Å; D80-K86 VanDerWaalsContact OD1-CD 3.23Å; D80-K86 WeakPolarHBondContact OD1-CD 3.15Å; D80-K86 WeakPolarHBondContact OD1-CE 3.44Å; D80-K86 IonicContact OD1-NZ 2.84Å; D80-K86 PolarHBondContact OD1-NZ 2.8Å; D80-K86 IonicContact OD2-NZ 2.64Å; T84-K86 PolarHBondContact O-N 2.73Å; K86-N92 WeakPolarHBondContact O-CB 3.41Å; K86-F98 HydrophobicContact CD-CE1 4Å; K86-F98 HydrophobicContact CD-CZ 4Å; K86-F98 HydrophobicContact CG-CE1 4.24Å; K86-F98 HydrophobicContact CG-CZ 4.06Å
87	T	98	Very high	97.5	Very high	59 Å²	59	44.9 Å²	44.9	36%	0.362	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-87.2	-10.2	178.4	68.6	0	0	0	0	112.6	T84 E85	T84-T87 PolarHBondContact O-N 3.23Å; T84-T87 PolarHBondContact O-OG1 3.48Å; E85-T87 PolarHBondContact O-N 3.43Å
88	A	98.1	Very high	97.5	Very high	1 Å²	1	46.3 Å²	46.3	1%	0.008	27%	0.265	C	S	.	.	S	Bend	trans	-64.2	144.3	-179.1	0	0	0	0	0	111.8	E85 P90 N91 N92 A152 A155	E85-A88 WeakPolarHBondContact O-CB 3.41Å; E85-A88 PolarHBondContact O-N 3.45Å; E85-A88 VanDerWaalsContact O-N 3.08Å; A88-P90 VanDerWaalsContact C-CD 3.45Å; A88-P90 HydrophobicContact CB-CG 4.22Å; A88-N91 CarbonylContact O-C 3.47Å; A88-N91 WeakPolarHBondContact O-CA 3.38Å; A88-N91 WeakPolarHBondContact O-CB 3.43Å; A88-N91 PolarHBondContact O-N 3.12Å; A88-N92 PolarHBondContact O-N 3.32Å; A88-A152 HydrophobicContact CB-CB 4.16Å; A88-A152 WeakPolarHBondContact CB-O 3.37Å; A88-A155 HydrophobicContact CB-CB 3.68Å
89	P	95.7	Very high	97.5	Very high	93 Å²	93	51.2 Å²	51.2	60%	0.604	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.7	-42.6	176.8	-29.3	35	0	0	0	116.5	N91 L156	P89-N91 PolarHBondContact O-N 2.74Å; P89-L156 HydrophobicContact CB-CD2 4.21Å; P89-L156 HydrophobicContact CG-CD1 4.46Å; P89-L156 HydrophobicContact CG-CD2 3.97Å
90	P	97	Very high	97.5	Very high	35 Å²	35	50.8 Å²	50.8	23%	0.227	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-14.4	177	26.3	-36.1	0	0	0	113.8	R62 A88 S94 A155 L159	R62-P90 PolarHBondContact NH2-O 2.81Å; A88-P90 VanDerWaalsContact C-CD 3.45Å; A88-P90 HydrophobicContact CB-CG 4.22Å; P90-S94 PolarHBondContact O-OG 3.32Å; P90-A155 HydrophobicContact CG-CB 4.44Å; P90-L159 HydrophobicContact CB-CD1 3.92Å; P90-L159 HydrophobicContact CG-CD1 3.69Å
91	N	98.3	Very high	97.5	Very high	4 Å²	4	47.5 Å²	47.5	2%	0.021	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.4	-33.2	-171.9	-69.3	-16.2	0	0	0	113.6	H66 E85 A88 P89 P93 S94 L95	H66-N91 PolarHBondContact CE1-OD1 2.64Å; H66-N91 VanDerWaalsContact CE1-OD1 3.28Å; H66-N91 PolarHBondContact ND1-OD1 2.69Å; E85-N91 VanDerWaalsContact O-CB 3.28Å; E85-N91 WeakPolarHBondContact O-CB 3.36Å; E85-N91 PolarHBondContact O-ND2 2.74Å; A88-N91 CarbonylContact O-C 3.47Å; A88-N91 WeakPolarHBondContact O-CA 3.38Å; A88-N91 WeakPolarHBondContact O-CB 3.43Å; A88-N91 PolarHBondContact O-N 3.12Å; P89-N91 PolarHBondContact O-N 2.74Å; N91-P93 CarbonylContact O-C 3.51Å; N91-S94 PolarHBondContact O-N 3.12Å; N91-S94 PolarHBondContact O-OG 3.1Å; N91-L95 HydrophobicContact CB-CD1 3.73Å; N91-L95 HydrophobicContact CB-CG 4.1Å; N91-L95 VanDerWaalsContact CG-CD1 3.41Å; N91-L95 PolarHBondContact O-N 3.48Å; N91-L95 VanDerWaalsContact OD1-CD1 3.28Å; N91-L95 WeakPolarHBondContact OD1-CD1 3.38Å
92	N	96.2	Very high	97.6	Very high	97 Å²	97	47.8 Å²	47.8	52%	0.519	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.2	122.9	-176.5	-170.1	23.2	0	0	0	111.7	K86 A88 S94	K86-N92 WeakPolarHBondContact O-CB 3.41Å; A88-N92 PolarHBondContact O-N 3.32Å; N92-S94 VanDerWaalsContact C-N 3.35Å
93	P	94.5	Very high	97.7	Very high	88 Å²	88	43.1 Å²	43.1	57%	0.571	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	cis	-94.1	22.5	-3.7	38.7	-35.8	0	0	0	112.7	N91	N91-P93 CarbonylContact O-C 3.51Å
94	S	95.8	Very high	97.8	Very high	30 Å²	30	37.1 Å²	37.1	21%	0.21	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-28.8	-163.2	71.3	0	0	0	0	115.4	R62 P90 N91 N92	R62-S94 PolarHBondContact NH1-O 2.69Å; R62-S94 PolarHBondContact NH1-OG 3.21Å; R62-S94 PolarHBondContact NH2-OG 2.84Å; P90-S94 PolarHBondContact O-OG 3.32Å; N91-S94 PolarHBondContact O-N 3.12Å; N91-S94 PolarHBondContact O-OG 3.1Å; N92-S94 VanDerWaalsContact C-N 3.35Å
95	L	98	Very high	97.9	Very high	13 Å²	13	36.9 Å²	36.9	7%	0.068	21%	0.209	C	C	.	.			trans	-73.7	143.2	174.4	-76.6	-177.8	0	0	0	110.7	R62 L63 H66 V77 N91 F98	R62-L95 HydrophobicContact CG-CD2 4.1Å; L63-L95 HydrophobicContact CD1-CD1 3.87Å; L63-L95 HydrophobicContact CD1-CD2 4.25Å; H66-L95 HydrophobicContact CB-CD1 4.4Å; H66-L95 HydrophobicContact CB-CD2 4.41Å; V77-L95 HydrophobicContact CG2-CD1 3.67Å; N91-L95 HydrophobicContact CB-CD1 3.73Å; N91-L95 HydrophobicContact CB-CG 4.1Å; N91-L95 VanDerWaalsContact CG-CD1 3.41Å; N91-L95 PolarHBondContact O-N 3.48Å; N91-L95 VanDerWaalsContact OD1-CD1 3.28Å; N91-L95 WeakPolarHBondContact OD1-CD1 3.38Å; L95-F98 HydrophobicContact CB-CE2 3.8Å; L95-F98 HydrophobicContact CB-CZ 3.67Å; L95-F98 HydrophobicContact CD1-CZ 4.09Å
96	R	97.7	Very high	97.9	Very high	84 Å²	84	39.9 Å²	39.9	32%	0.317	23%	0.234	S	C	.	.			trans	-152.4	161.6	-175.5	61.8	-173.3	-178.1	-173.4	-1.1	111.1	G55	G55-R96 PolarHBondContact O-NE 3.27Å; G55-R96 PolarHBondContact O-NH2 2.92Å
97	G	98.1	Very high	97.9	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.01	24%	0.244	C	C	.	.			trans	96.6	6.9	-178.4	0	0	0	0	0	114.2	E99 V100 I101	G97-E99 VanDerWaalsContact C-N 3.25Å; G97-E99 WeakPolarHBondContact CA-OE2 3.41Å; G97-E99 PolarHBondContact N-OE2 3.4Å; G97-E99 PolarHBondContact O-N 2.92Å; G97-V100 WeakPolarHBondContact O-CB 3.4Å; G97-V100 PolarHBondContact O-N 3.21Å; G97-I101 PolarHBondContact O-N 3.43Å
98	F	98.7	Very high	97.9	Very high	30 Å²	30	37.8 Å²	37.8	13%	0.132	23%	0.227	C	C	.	.	H	α-helix	trans	-57.9	-39.2	176.8	-61.1	-75.8	0	0	0	111.9	L63 L78 K86 L95 V100 I101 D102 R323	L63-F98 HydrophobicContact CD1-CD1 4.34Å; L63-F98 HydrophobicContact CD1-CE1 3.6Å; L63-F98 HydrophobicContact CD1-CZ 4.03Å; L63-F98 HydrophobicContact CD2-CD1 4.13Å; L63-F98 HydrophobicContact CD2-CE1 4.22Å; L78-F98 HydrophobicContact CD2-CD1 3.91Å; L78-F98 HydrophobicContact CD2-CE1 4.14Å; K86-F98 HydrophobicContact CD-CE1 4Å; K86-F98 HydrophobicContact CD-CZ 4Å; K86-F98 HydrophobicContact CG-CE1 4.24Å; K86-F98 HydrophobicContact CG-CZ 4.06Å; L95-F98 HydrophobicContact CB-CE2 3.8Å; L95-F98 HydrophobicContact CB-CZ 3.67Å; L95-F98 HydrophobicContact CD1-CZ 4.09Å; F98-V100 VanDerWaalsContact C-N 3.25Å; F98-V100 PolarHBondContact O-N 3.31Å; F98-I101 WeakPolarHBondContact O-CB 3.49Å; F98-I101 PolarHBondContact O-N 2.81Å; F98-I101 VanDerWaalsContact O-N 3.14Å; F98-D102 VanDerWaalsContact O-CG 3.29Å; F98-D102 PolarHBondContact O-N 3.22Å; F98-R323 VanDerWaalsContact CB-NH2 3.27Å
99	E	98.6	Very high	97.9	Very high	105 Å²	105	39 Å²	39	49%	0.491	23%	0.233	S	C	.	.	H	α-helix	trans	-62.7	-30.1	176	71.5	-68.8	167.3	0	0	113.1	G97 A103	G97-E99 VanDerWaalsContact C-N 3.25Å; G97-E99 WeakPolarHBondContact CA-OE2 3.41Å; G97-E99 PolarHBondContact N-OE2 3.4Å; G97-E99 PolarHBondContact O-N 2.92Å; E99-A103 WeakPolarHBondContact O-CB 3.12Å; E99-A103 PolarHBondContact O-N 3.29Å
100	V	98.8	Very high	98.1	Very high	5 Å²	5	38.8 Å²	38.8	3%	0.03	24%	0.238	C	C	.	.	H	α-helix	trans	-71.8	-39.3	175.2	-172.6	0	0	0	0	110.1	V46 A49 V56 L60 G97 F98 A103 A104	V46-V100 HydrophobicContact CG2-CG1 4.04Å; A49-V100 HydrophobicContact CB-CB 4.31Å; A49-V100 HydrophobicContact CB-CG1 3.84Å; A49-V100 HydrophobicContact CB-CG2 3.49Å; A49-V100 VanDerWaalsContact CB-CG2 3.49Å; V56-V100 HydrophobicContact CB-CG2 4.33Å; V56-V100 HydrophobicContact CG1-CG2 4.19Å; L60-V100 HydrophobicContact CD1-CB 4.43Å; L60-V100 HydrophobicContact CD1-CG1 4.08Å; L60-V100 HydrophobicContact CD2-CB 4.4Å; G97-V100 WeakPolarHBondContact O-CB 3.4Å; G97-V100 PolarHBondContact O-N 3.21Å; F98-V100 VanDerWaalsContact C-N 3.25Å; F98-V100 PolarHBondContact O-N 3.31Å; V100-A103 PolarHBondContact O-N 3.46Å; V100-A104 WeakPolarHBondContact O-CB 3.42Å; V100-A104 PolarHBondContact O-N 3.35Å
101	I	98.9	Very high	98.1	Very high	2 Å²	2	39.7 Å²	39.7	1%	0.01	25%	0.248	C	C	.	.	H	α-helix	trans	-65.1	-42.1	174.2	-58	-60.3	0	0	0	110.8	L60 L63 L78 G97 F98 A103 A104 K105 I121 L122 A125 C322	L60-I101 HydrophobicContact CD2-CD1 3.65Å; L60-I101 HydrophobicContact CD2-CG1 3.93Å; L63-I101 HydrophobicContact CD2-CG1 4.16Å; L78-I101 HydrophobicContact CD1-CG2 3.76Å; G97-I101 PolarHBondContact O-N 3.43Å; F98-I101 WeakPolarHBondContact O-CB 3.49Å; F98-I101 PolarHBondContact O-N 2.81Å; F98-I101 VanDerWaalsContact O-N 3.14Å; I101-A103 PolarHBondContact O-N 2.96Å; I101-A104 PolarHBondContact O-N 3.06Å; I101-K105 VanDerWaalsContact O-CB 3.29Å; I101-K105 WeakPolarHBondContact O-CB 3.26Å; I101-K105 PolarHBondContact O-N 3.1Å; I101-I121 HydrophobicContact CD1-CG2 4.23Å; I101-I121 HydrophobicContact CG2-CG2 4.07Å; I101-L122 HydrophobicContact CD1-CB 4.37Å; I101-L122 HydrophobicContact CD1-CD1 3.85Å; I101-L122 HydrophobicContact CG1-CD1 4.38Å; I101-A125 HydrophobicContact CD1-CB 3.83Å; I101-C322 HydrophobicContact CG2-CB 4.28Å
102	D	98.9	Very high	98.1	Very high	44 Å²	44	40 Å²	40	24%	0.235	25%	0.251	C	S	.	.	H	α-helix	trans	-60.6	-45.3	175.1	-62.8	-37.9	0	0	0	111.7	F98 K105 A106 R323	F98-D102 VanDerWaalsContact O-CG 3.29Å; F98-D102 PolarHBondContact O-N 3.22Å; D102-K105 PolarHBondContact O-N 3.27Å; D102-A106 WeakPolarHBondContact O-CB 3.38Å; D102-A106 PolarHBondContact O-N 3.42Å; D102-R323 VanDerWaalsContact CG-NE 3.34Å; D102-R323 IonicContact OD1-NE 2.71Å; D102-R323 PolarHBondContact OD1-NE 3.1Å; D102-R323 IonicContact OD2-CZ 2.65Å; D102-R323 IonicContact OD2-NE 2.7Å; D102-R323 PolarHBondContact OD2-NE 3.33Å; D102-R323 IonicContact OD2-NH2 2.82Å; D102-R323 PolarHBondContact OD2-NH2 2.93Å
103	A	98.8	Very high	98.2	Very high	54 Å²	54	39.7 Å²	39.7	45%	0.446	25%	0.254	S	S	.	.	H	α-helix	trans	-63.7	-43.9	178.3	0	0	0	0	0	112	E99 V100 I101 A106 A107	E99-A103 WeakPolarHBondContact O-CB 3.12Å; E99-A103 PolarHBondContact O-N 3.29Å; V100-A103 PolarHBondContact O-N 3.46Å; I101-A103 PolarHBondContact O-N 2.96Å; A103-A106 PolarHBondContact O-N 3.4Å; A103-A107 PolarHBondContact O-N 3.11Å
104	A	98.9	Very high	98.3	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-61.4	-44.7	174.5	0	0	0	0	0	111.2	V42 A45 V100 I101 A107 V108 I121	V42-A104 HydrophobicContact CG1-CB 4.33Å; V42-A104 HydrophobicContact CG2-CB 4.3Å; A45-A104 HydrophobicContact CB-CB 3.8Å; V100-A104 WeakPolarHBondContact O-CB 3.42Å; V100-A104 PolarHBondContact O-N 3.35Å; I101-A104 PolarHBondContact O-N 3.06Å; A104-A107 PolarHBondContact O-N 3.13Å; A104-V108 WeakPolarHBondContact O-CB 3.26Å; A104-V108 VanDerWaalsContact O-CG2 3.26Å; A104-V108 WeakPolarHBondContact O-CG2 3.5Å; A104-V108 PolarHBondContact O-N 3.17Å; A104-I121 HydrophobicContact CB-CG2 3.8Å
105	K	98.9	Very high	98.4	Very high	6 Å²	6	44.6 Å²	44.6	3%	0.026	26%	0.261	C	S	.	.	H	α-helix	trans	-61.9	-45.4	177.5	-179.2	60.4	172.8	173.9	0	111.9	I101 D102 A107 V108 E109 V116 I121 R319 L320	I101-K105 VanDerWaalsContact O-CB 3.29Å; I101-K105 WeakPolarHBondContact O-CB 3.26Å; I101-K105 PolarHBondContact O-N 3.1Å; D102-K105 PolarHBondContact O-N 3.27Å; K105-A107 VanDerWaalsContact C-N 3.35Å; K105-A107 PolarHBondContact O-N 3.06Å; K105-V108 PolarHBondContact O-N 3.02Å; K105-E109 HydrophobicContact CD-CG 3.88Å; K105-E109 WeakPolarHBondContact CE-OE1 3.34Å; K105-E109 HydrophobicContact CG-CG 4.27Å; K105-E109 IonicContact NZ-OE1 3.43Å; K105-E109 PolarHBondContact NZ-OE1 3.26Å; K105-E109 WeakPolarHBondContact O-CB 3.39Å; K105-E109 WeakPolarHBondContact O-CG 3.25Å; K105-E109 PolarHBondContact O-N 2.97Å; K105-V116 PolarHBondContact NZ-O 2.96Å; K105-I121 HydrophobicContact CB-CD1 4Å; K105-I121 HydrophobicContact CD-CD1 3.47Å; K105-I121 VanDerWaalsContact CD-CD1 3.47Å; K105-I121 HydrophobicContact CG-CD1 4.35Å; K105-R319 WeakPolarHBondContact CE-O 3.36Å; K105-R319 PolarHBondContact NZ-O 3.28Å; K105-L320 WeakPolarHBondContact CE-O 3.35Å
106	A	98.7	Very high	98.4	Very high	63 Å²	63	44 Å²	44	52%	0.521	26%	0.258	S	S	.	.	H	α-helix	trans	-60.2	-44.8	177.5	0	0	0	0	0	111.7	D102 A103 A110	D102-A106 WeakPolarHBondContact O-CB 3.38Å; D102-A106 PolarHBondContact O-N 3.42Å; A103-A106 PolarHBondContact O-N 3.4Å; A106-A110 WeakPolarHBondContact O-CB 3.35Å; A106-A110 PolarHBondContact O-N 2.97Å
107	A	98.7	Very high	98.5	Very high	38 Å²	38	40 Å²	40	31%	0.314	24%	0.243	S	C	.	.	H	α-helix	trans	-63.6	-41.9	177	0	0	0	0	0	112.3	A103 A104 K105 A111	A103-A107 PolarHBondContact O-N 3.11Å; A104-A107 PolarHBondContact O-N 3.13Å; K105-A107 VanDerWaalsContact C-N 3.35Å; K105-A107 PolarHBondContact O-N 3.06Å; A107-A111 PolarHBondContact O-N 3.15Å
108	V	98.8	Very high	98.5	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-69.9	-42.6	179	171.8	0	0	0	0	111.9	L41 V42 A104 K105 A110 A111 C112 V116	L41-V108 HydrophobicContact CB-CG2 3.86Å; L41-V108 HydrophobicContact CD1-CG2 4.28Å; V42-V108 HydrophobicContact CG2-CG2 4.1Å; A104-V108 WeakPolarHBondContact O-CB 3.26Å; A104-V108 VanDerWaalsContact O-CG2 3.26Å; A104-V108 WeakPolarHBondContact O-CG2 3.5Å; A104-V108 PolarHBondContact O-N 3.17Å; K105-V108 PolarHBondContact O-N 3.02Å; V108-A110 VanDerWaalsContact C-N 3.32Å; V108-A110 PolarHBondContact O-N 3.39Å; V108-A111 PolarHBondContact O-N 3.34Å; V108-C112 PolarHBondContact O-N 2.94Å; V108-V116 HydrophobicContact CG1-CB 3.5Å; V108-V116 VanDerWaalsContact CG1-CB 3.5Å; V108-V116 HydrophobicContact CG1-CG1 4.18Å; V108-V116 HydrophobicContact CG1-CG2 3.4Å
109	E	98.7	Very high	98.5	Very high	28 Å²	28	38.5 Å²	38.5	13%	0.131	24%	0.236	C	C	.	.	H	α-helix	trans	-65	-34.9	176.1	-76.5	-62.7	130.7	0	0	112.2	K105 A111 P113 R114	K105-E109 HydrophobicContact CD-CG 3.88Å; K105-E109 WeakPolarHBondContact CE-OE1 3.34Å; K105-E109 HydrophobicContact CG-CG 4.27Å; K105-E109 IonicContact NZ-OE1 3.43Å; K105-E109 PolarHBondContact NZ-OE1 3.26Å; K105-E109 WeakPolarHBondContact O-CB 3.39Å; K105-E109 WeakPolarHBondContact O-CG 3.25Å; K105-E109 PolarHBondContact O-N 2.97Å; E109-A111 VanDerWaalsContact C-N 3.28Å; E109-A111 PolarHBondContact O-N 3.1Å; E109-P113 WeakPolarHBondContact O-CA 3.24Å; E109-P113 WeakPolarHBondContact O-CD 3.39Å; E109-P113 WeakPolarHBondContact O-CG 3.36Å; E109-R114 PolarHBondContact OE1-N 2.95Å; E109-R114 PolarHBondContact OE2-N 3.16Å
110	A	98.5	Very high	98.6	Very high	88 Å²	88	33.5 Å²	33.5	73%	0.727	21%	0.212	S	C	*	.	H	α-helix	trans	-64.6	-33.3	174.5	0	0	0	0	0	112.6	A106 V108	A106-A110 WeakPolarHBondContact O-CB 3.35Å; A106-A110 PolarHBondContact O-N 2.97Å; V108-A110 VanDerWaalsContact C-N 3.32Å; V108-A110 PolarHBondContact O-N 3.39Å
111	A	98.3	Very high	98.6	Very high	53 Å²	53	33.2 Å²	33.2	44%	0.438	21%	0.211	S	C	.	.	H	α-helix	trans	-86.8	-36.6	178.8	0	0	0	0	0	113.1	L41 A107 V108 E109	L41-A111 HydrophobicContact CD1-CB 3.57Å; A107-A111 PolarHBondContact O-N 3.15Å; V108-A111 PolarHBondContact O-N 3.34Å; E109-A111 VanDerWaalsContact C-N 3.28Å; E109-A111 PolarHBondContact O-N 3.1Å
112	C	97.8	Very high	98.6	Very high	11 Å²	11	33.1 Å²	33.1	7%	0.074	21%	0.21	C	C	.	.	S	Bend	trans	-145.2	74.3	-168.1	-49.6	0	0	0	0	110.8	C35 V108 R114 V115	C35-C112 WeakPolarHBondContact CA-SG 3.27Å; C35-C112 HydrophobicContact CB-CB 3.44Å; C35-C112 VanDerWaalsContact CB-CB 3.44Å; C35-C112 WeakPolarHBondContact CB-SG 3.37Å; C35-C112 WeakPolarHBondContact SG-CB 2.95Å; C35-C112 CovalentContact SG-SG 2.02Å; C35-C112 PolarHBondContact SG-SG 3.03Å; V108-C112 PolarHBondContact O-N 2.94Å; C112-R114 PolarHBondContact O-N 2.93Å; C112-V115 HydrophobicContact CB-CB 4.1Å; C112-V115 HydrophobicContact CB-CG2 4.11Å; C112-V115 PolarHBondContact O-N 3.38Å
113	P	97.9	Very high	98.6	Very high	90 Å²	90	31.1 Å²	31.1	58%	0.584	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.5	130	-173.1	-24.8	32.6	0	0	0	112.7	E109 V115	E109-P113 WeakPolarHBondContact O-CA 3.24Å; E109-P113 WeakPolarHBondContact O-CD 3.39Å; E109-P113 WeakPolarHBondContact O-CG 3.36Å; P113-V115 VanDerWaalsContact C-N 3.27Å; P113-V115 PolarHBondContact O-N 3.12Å
114	R	97.1	Very high	98.6	Very high	182 Å²	182	28.5 Å²	28.5	69%	0.687	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.1	25.9	175.4	-60.6	171.3	-176.1	172.6	2.5	115.4	E109 C112 L320	E109-R114 PolarHBondContact OE1-N 2.95Å; E109-R114 PolarHBondContact OE2-N 3.16Å; C112-R114 PolarHBondContact O-N 2.93Å; R114-L320 HydrophobicContact CG-CD2 3.42Å; R114-L320 VanDerWaalsContact CG-CD2 3.42Å; R114-L320 HydrophobicContact CG-CG 4.49Å
115	V	98.2	Very high	98.6	Very high	39 Å²	39	28.5 Å²	28.5	24%	0.236	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.9	-50	-177.7	177.6	0	0	0	0	112.7	Y31 C35 C112 P113	Y31-V115 HydrophobicContact CD1-CG1 3.74Å; Y31-V115 HydrophobicContact CE1-CG1 3.97Å; Y31-V115 WeakPolarHBondContact CE1-O 3.36Å; C35-V115 HydrophobicContact CB-CB 4.47Å; C35-V115 HydrophobicContact CB-CG1 3.92Å; C112-V115 HydrophobicContact CB-CB 4.1Å; C112-V115 HydrophobicContact CB-CG2 4.11Å; C112-V115 PolarHBondContact O-N 3.38Å; P113-V115 VanDerWaalsContact C-N 3.27Å; P113-V115 PolarHBondContact O-N 3.12Å
116	V	98.6	Very high	98.6	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	18%	0.177	C	C	.	.	S	Bend	trans	-101.1	125.8	-167.1	-173.8	0	0	0	0	110.4	Y31 C35 A38 K105 V108 D120 I121 V318	Y31-V116 HydrophobicContact CD1-CG2 4.06Å; Y31-V116 HydrophobicContact CD2-CG1 4.49Å; Y31-V116 HydrophobicContact CD2-CG2 4.42Å; Y31-V116 HydrophobicContact CE1-CB 4.35Å; Y31-V116 HydrophobicContact CE1-CG2 4Å; Y31-V116 HydrophobicContact CE2-CB 4.5Å; Y31-V116 HydrophobicContact CE2-CG1 3.84Å; Y31-V116 HydrophobicContact CE2-CG2 4.35Å; Y31-V116 HydrophobicContact CG-CG2 4.27Å; C35-V116 HydrophobicContact CB-CG2 3.99Å; A38-V116 HydrophobicContact CB-CG2 3.83Å; K105-V116 PolarHBondContact NZ-O 2.96Å; V108-V116 HydrophobicContact CG1-CB 3.5Å; V108-V116 VanDerWaalsContact CG1-CB 3.5Å; V108-V116 HydrophobicContact CG1-CG1 4.18Å; V108-V116 HydrophobicContact CG1-CG2 3.4Å; V116-D120 HydrophobicContact CG1-CB 4.47Å; V116-I121 HydrophobicContact CG1-CD1 4.22Å; V116-I121 HydrophobicContact CG1-CG1 3.82Å; V116-V318 WeakPolarHBondContact O-CG1 3.41Å
117	S	98.7	Very high	98.6	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	16%	0.156	C	C	.	.			trans	-71.7	155.5	178.2	59.5	0	0	0	0	111.5	Y31 A119 D120 I121 R144 D146	Y31-S117 PolarHBondContact OH-N 3.46Å; S117-A119 VanDerWaalsContact C-N 3.28Å; S117-D120 PolarHBondContact O-N 3.02Å; S117-D120 WeakPolarHBondContact OG-CB 3.23Å; S117-D120 PolarHBondContact OG-N 3.44Å; S117-D120 PolarHBondContact OG-OD2 3.27Å; S117-I121 WeakPolarHBondContact O-CG1 3.15Å; S117-I121 PolarHBondContact O-N 3.43Å; S117-I121 VanDerWaalsContact O-N 3.12Å; S117-R144 WeakPolarHBondContact CB-O 3.48Å; S117-R144 PolarHBondContact OG-O 2.95Å; S117-D146 WeakPolarHBondContact CB-OD1 3.35Å
118	C	98.9	Very high	98.6	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-65.8	-34	172.3	-63.7	0	0	0	0	111.9	A75 L78 D120 I121 L122 D146 C322	A75-C118 HydrophobicContact CB-CB 3.93Å; L78-C118 HydrophobicContact CD1-CB 3.92Å; C118-D120 PolarHBondContact O-N 2.72Å; C118-I121 PolarHBondContact O-N 3.42Å; C118-L122 PolarHBondContact O-N 3.02Å; C118-D146 WeakPolarHBondContact CA-OD1 3.27Å; C118-D146 VanDerWaalsContact CB-OD1 3.3Å; C118-D146 WeakPolarHBondContact CB-OD1 3.29Å; C118-D146 VanDerWaalsContact N-CG 3.34Å; C118-D146 PolarHBondContact N-OD1 3.38Å; C118-D146 PolarHBondContact N-OD2 3.49Å; C118-D146 VanDerWaalsContact N-OD2 3.08Å; C118-C322 HydrophobicContact CB-CB 3.71Å; C118-C322 WeakPolarHBondContact CB-SG 3.39Å; C118-C322 WeakPolarHBondContact SG-CA 3.46Å; C118-C322 WeakPolarHBondContact SG-CB 3.3Å; C118-C322 CovalentContact SG-SG 2.03Å; C118-C322 PolarHBondContact SG-SG 2.99Å
119	A	98.9	Very high	98.6	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-58.2	-45	173.8	0	0	0	0	0	112.3	A75 S117 L122 A123 R144 D146	A75-A119 HydrophobicContact CB-CB 3.96Å; S117-A119 VanDerWaalsContact C-N 3.28Å; A119-L122 PolarHBondContact O-N 3.41Å; A119-A123 PolarHBondContact O-N 3.09Å; A119-A123 VanDerWaalsContact O-N 3.1Å; A119-R144 HydrophobicContact CB-CB 3.68Å; A119-D146 PolarHBondContact N-OD1 2.84Å
120	D	98.9	Very high	98.6	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-71.4	-36.3	176.4	-77.2	-28.6	0	0	0	112.4	Y31 V116 S117 C118 L122 A123 F124 A142 G143 R144	Y31-D120 HydrophobicContact CE2-CB 4.02Å; Y31-D120 PolarHBondContact OH-OD2 3.12Å; V116-D120 HydrophobicContact CG1-CB 4.47Å; S117-D120 PolarHBondContact O-N 3.02Å; S117-D120 WeakPolarHBondContact OG-CB 3.23Å; S117-D120 PolarHBondContact OG-N 3.44Å; S117-D120 PolarHBondContact OG-OD2 3.27Å; C118-D120 PolarHBondContact O-N 2.72Å; D120-L122 VanDerWaalsContact C-N 3.31Å; D120-L122 PolarHBondContact O-N 3.07Å; D120-A123 PolarHBondContact O-N 3.47Å; D120-F124 HydrophobicContact CB-CE2 3.99Å; D120-F124 HydrophobicContact CB-CZ 4.29Å; D120-F124 WeakPolarHBondContact O-CD2 3.17Å; D120-F124 WeakPolarHBondContact O-CG 3.38Å; D120-F124 PolarHBondContact O-N 3.02Å; D120-A142 HydrophobicContact CB-CB 4.46Å; D120-A142 WeakPolarHBondContact OD1-CA 3.41Å; D120-G143 WeakPolarHBondContact OD2-CA 3.48Å; D120-G143 PolarHBondContact OD2-N 2.73Å; D120-R144 WeakPolarHBondContact OD1-CB 3.48Å; D120-R144 WeakPolarHBondContact OD1-CD 3.3Å; D120-R144 VanDerWaalsContact OD1-CG 3.3Å; D120-R144 WeakPolarHBondContact OD1-CG 3.45Å; D120-R144 IonicContact OD1-CZ 3.82Å; D120-R144 PolarHBondContact OD1-N 3.44Å; D120-R144 IonicContact OD1-NH1 2.73Å; D120-R144 PolarHBondContact OD1-NH1 3Å; D120-R144 PolarHBondContact OD2-N 2.84Å
121	I	99	Very high	98.6	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-58.6	-44.4	173.2	-72.3	163	0	0	0	110.9	V42 I101 A104 K105 V116 S117 C118 F124 A125	V42-I121 HydrophobicContact CG1-CG2 4.39Å; V42-I121 HydrophobicContact CG2-CB 4.4Å; V42-I121 HydrophobicContact CG2-CG1 4.03Å; V42-I121 HydrophobicContact CG2-CG2 4.14Å; I101-I121 HydrophobicContact CD1-CG2 4.23Å; I101-I121 HydrophobicContact CG2-CG2 4.07Å; A104-I121 HydrophobicContact CB-CG2 3.8Å; K105-I121 HydrophobicContact CB-CD1 4Å; K105-I121 HydrophobicContact CD-CD1 3.47Å; K105-I121 VanDerWaalsContact CD-CD1 3.47Å; K105-I121 HydrophobicContact CG-CD1 4.35Å; V116-I121 HydrophobicContact CG1-CD1 4.22Å; V116-I121 HydrophobicContact CG1-CG1 3.82Å; S117-I121 WeakPolarHBondContact O-CG1 3.15Å; S117-I121 PolarHBondContact O-N 3.43Å; S117-I121 VanDerWaalsContact O-N 3.12Å; C118-I121 PolarHBondContact O-N 3.42Å; I121-F124 PolarHBondContact O-N 3.34Å; I121-A125 VanDerWaalsContact O-CB 3.27Å; I121-A125 WeakPolarHBondContact O-CB 3.26Å; I121-A125 PolarHBondContact O-N 2.81Å
122	L	98.9	Very high	98.6	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-64.4	-43.2	178.4	-180	55.4	0	0	0	111.9	L63 H64 D67 V77 L78 I101 C118 A119 D120 F124 A125 A126	L63-L122 HydrophobicContact CB-CD1 4.04Å; L63-L122 HydrophobicContact CD2-CD1 3.84Å; L63-L122 HydrophobicContact CG-CD1 3.75Å; L63-L122 HydrophobicContact CG-CD2 4.08Å; H64-L122 HydrophobicContact CB-CD1 4.16Å; H64-L122 HydrophobicContact CB-CD2 4.49Å; H64-L122 HydrophobicContact CB-CG 3.95Å; D67-L122 HydrophobicContact CB-CD2 3.68Å; V77-L122 HydrophobicContact CG1-CD2 4.29Å; L78-L122 HydrophobicContact CD2-CD2 4.47Å; I101-L122 HydrophobicContact CD1-CB 4.37Å; I101-L122 HydrophobicContact CD1-CD1 3.85Å; I101-L122 HydrophobicContact CG1-CD1 4.38Å; C118-L122 PolarHBondContact O-N 3.02Å; A119-L122 PolarHBondContact O-N 3.41Å; D120-L122 VanDerWaalsContact C-N 3.31Å; D120-L122 PolarHBondContact O-N 3.07Å; L122-F124 PolarHBondContact O-N 2.94Å; L122-A125 PolarHBondContact O-N 3.11Å; L122-A126 PolarHBondContact O-N 2.98Å
123	A	98.9	Very high	98.6	Very high	1 Å²	1	21.9 Å²	21.9	1%	0.008	11%	0.113	C	C	.	.	H	α-helix	trans	-62.3	-42.1	176.1	0	0	0	0	0	112.4	A119 D120 R127 V140	A119-A123 PolarHBondContact O-N 3.09Å; A119-A123 VanDerWaalsContact O-N 3.1Å; D120-A123 PolarHBondContact O-N 3.47Å; A123-R127 PolarHBondContact O-N 2.84Å; A123-V140 HydrophobicContact CB-CG1 3.93Å
124	F	98.9	Very high	98.6	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-64.3	-44	173.6	-61.2	-35.8	0	0	0	111.6	Y31 E39 V42 D120 I121 L122 A126 R127 D128 V140 A142	Y31-F124 HydrophobicContact CD2-CE2 4.14Å; Y31-F124 HydrophobicContact CD2-CZ 4.08Å; Y31-F124 HydrophobicContact CE2-CE2 4.02Å; Y31-F124 HydrophobicContact CE2-CZ 4.08Å; E39-F124 HydrophobicContact CG-CD1 3.88Å; E39-F124 HydrophobicContact CG-CD2 4.14Å; E39-F124 HydrophobicContact CG-CE1 3.69Å; E39-F124 HydrophobicContact CG-CE2 3.97Å; E39-F124 HydrophobicContact CG-CG 4.11Å; E39-F124 HydrophobicContact CG-CZ 3.73Å; V42-F124 HydrophobicContact CB-CB 4.21Å; V42-F124 HydrophobicContact CG1-CB 3.86Å; V42-F124 HydrophobicContact CG2-CB 4.45Å; V42-F124 HydrophobicContact CG2-CD2 4.27Å; D120-F124 HydrophobicContact CB-CE2 3.99Å; D120-F124 HydrophobicContact CB-CZ 4.29Å; D120-F124 WeakPolarHBondContact O-CD2 3.17Å; D120-F124 WeakPolarHBondContact O-CG 3.38Å; D120-F124 PolarHBondContact O-N 3.02Å; I121-F124 PolarHBondContact O-N 3.34Å; L122-F124 PolarHBondContact O-N 2.94Å; F124-A126 VanDerWaalsContact C-N 3.32Å; F124-A126 PolarHBondContact O-N 2.98Å; F124-R127 WeakPolarHBondContact O-CB 3.44Å; F124-R127 PolarHBondContact O-N 3.28Å; F124-R127 VanDerWaalsContact O-N 3.11Å; F124-D128 PolarHBondContact O-N 3.24Å; F124-V140 HydrophobicContact CD1-CB 3.76Å; F124-V140 HydrophobicContact CD1-CG1 3.84Å; F124-V140 HydrophobicContact CD1-CG2 4.21Å; F124-V140 HydrophobicContact CE1-CB 3.84Å; F124-V140 HydrophobicContact CE1-CG1 3.9Å; F124-A142 HydrophobicContact CE1-CB 3.97Å; F124-A142 HydrophobicContact CZ-CB 3.55Å
125	A	98.9	Very high	98.6	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-63.1	-37.2	-179.3	0	0	0	0	0	112.7	V42 V46 L60 I101 I121 L122 D128 S129	V42-A125 HydrophobicContact CG1-CB 3.97Å; V46-A125 HydrophobicContact CG2-CB 3.72Å; L60-A125 HydrophobicContact CD1-CB 4.34Å; L60-A125 HydrophobicContact CD2-CB 4.29Å; I101-A125 HydrophobicContact CD1-CB 3.83Å; I121-A125 VanDerWaalsContact O-CB 3.27Å; I121-A125 WeakPolarHBondContact O-CB 3.26Å; I121-A125 PolarHBondContact O-N 2.81Å; L122-A125 PolarHBondContact O-N 3.11Å; A125-D128 PolarHBondContact O-N 3.23Å; A125-S129 WeakPolarHBondContact O-CB 3.41Å; A125-S129 PolarHBondContact O-N 3.02Å; A125-S129 PolarHBondContact O-OG 2.98Å
126	A	98.9	Very high	98.6	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-64.2	-43.2	172.4	0	0	0	0	0	111.8	H64 L122 F124 D128 S129 V130 M301	H64-A126 HydrophobicContact CB-CB 3.69Å; L122-A126 PolarHBondContact O-N 2.98Å; F124-A126 VanDerWaalsContact C-N 3.32Å; F124-A126 PolarHBondContact O-N 2.98Å; A126-D128 PolarHBondContact O-N 2.7Å; A126-S129 WeakPolarHBondContact O-CB 3.02Å; A126-S129 PolarHBondContact O-N 3.26Å; A126-V130 WeakPolarHBondContact O-CG2 3.41Å; A126-V130 PolarHBondContact O-N 3.25Å; A126-M301 HydrophobicContact CB-CE 4.2Å
127	R	98.9	Very high	98.5	Very high	21 Å²	21	21 Å²	21	8%	0.079	12%	0.121	C	C	.	.	H	α-helix	trans	-60.2	-44.7	173.9	-178.2	-82.7	-52	-83	0.6	112.1	E39 A123 F124 S129 V130 A131 Y138 V140	E39-R127 IonicContact OE2-CZ 3.22Å; E39-R127 IonicContact OE2-NH1 2.67Å; E39-R127 PolarHBondContact OE2-NH1 2.7Å; E39-R127 IonicContact OE2-NH2 2.74Å; E39-R127 PolarHBondContact OE2-NH2 3Å; A123-R127 PolarHBondContact O-N 2.84Å; F124-R127 WeakPolarHBondContact O-CB 3.44Å; F124-R127 PolarHBondContact O-N 3.28Å; F124-R127 VanDerWaalsContact O-N 3.11Å; R127-S129 VanDerWaalsContact C-N 3.31Å; R127-S129 PolarHBondContact O-N 3.44Å; R127-V130 WeakPolarHBondContact O-CB 3.25Å; R127-V130 PolarHBondContact O-N 3.18Å; R127-A131 PolarHBondContact O-N 2.73Å; R127-Y138 WeakPolarHBondContact CA-OH 3.24Å; R127-Y138 HydrophobicContact CB-CD2 4.5Å; R127-Y138 HydrophobicContact CB-CE1 4.07Å; R127-Y138 HydrophobicContact CB-CE2 3.84Å; R127-Y138 HydrophobicContact CG-CD1 3.92Å; R127-Y138 HydrophobicContact CG-CD2 3.96Å; R127-Y138 HydrophobicContact CG-CE1 3.74Å; R127-Y138 HydrophobicContact CG-CE2 3.79Å; R127-Y138 HydrophobicContact CG-CG 4.04Å; R127-Y138 WeakPolarHBondContact CG-O 3Å; R127-Y138 PolarHBondContact NH1-O 2.65Å; R127-Y138 VanDerWaalsContact NH1-O 3.1Å; R127-V140 HydrophobicContact CB-CG2 3.57Å; R127-V140 HydrophobicContact CG-CG2 3.72Å
128	D	98.8	Very high	98.5	Very high	7 Å²	7	22.1 Å²	22.1	4%	0.037	13%	0.126	C	C	.	.	H	α-helix	trans	-66.3	-36.9	-179.5	-62.1	-30	0	0	0	111.3	Q43 V46 F124 A125 A126 A131 L132	Q43-D128 WeakPolarHBondContact CA-OD2 3.46Å; Q43-D128 WeakPolarHBondContact CB-OD2 3.14Å; Q43-D128 HydrophobicContact CG-CB 4.46Å; Q43-D128 PolarHBondContact N-OD2 2.7Å; V46-D128 HydrophobicContact CB-CB 4.24Å; V46-D128 HydrophobicContact CG1-CB 4.12Å; V46-D128 HydrophobicContact CG2-CB 4.46Å; F124-D128 PolarHBondContact O-N 3.24Å; A125-D128 PolarHBondContact O-N 3.23Å; A126-D128 PolarHBondContact O-N 2.7Å; D128-A131 PolarHBondContact O-N 2.89Å; D128-L132 WeakPolarHBondContact O-CG 3.31Å; D128-L132 PolarHBondContact O-N 3.15Å
129	S	98.8	Very high	98.5	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-63.6	-41.7	173.4	-62.2	0	0	0	0	112.5	A57 L60 A125 A126 R127 A131 L132 T133	A57-S129 WeakPolarHBondContact O-CB 2.98Å; L60-S129 WeakPolarHBondContact CD1-OG 3.4Å; A125-S129 WeakPolarHBondContact O-CB 3.41Å; A125-S129 PolarHBondContact O-N 3.02Å; A125-S129 PolarHBondContact O-OG 2.98Å; A126-S129 WeakPolarHBondContact O-CB 3.02Å; A126-S129 PolarHBondContact O-N 3.26Å; R127-S129 VanDerWaalsContact C-N 3.31Å; R127-S129 PolarHBondContact O-N 3.44Å; S129-A131 VanDerWaalsContact C-N 3.34Å; S129-L132 PolarHBondContact O-N 3.48Å; S129-T133 PolarHBondContact O-N 2.04Å; S129-T133 PolarHBondContact O-OG1 3.27Å
130	V	98.8	Very high	98.5	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-62.3	-41.3	172.8	166.8	0	0	0	0	111.2	I61 A126 R127 G134 V136 Y138 L252 F297	I61-V130 HydrophobicContact CD1-CG2 3.64Å; I61-V130 HydrophobicContact CG1-CG2 4.03Å; A126-V130 WeakPolarHBondContact O-CG2 3.41Å; A126-V130 PolarHBondContact O-N 3.25Å; R127-V130 WeakPolarHBondContact O-CB 3.25Å; R127-V130 PolarHBondContact O-N 3.18Å; V130-G134 WeakPolarHBondContact O-CA 3.23Å; V130-G134 PolarHBondContact O-N 3.28Å; V130-V136 HydrophobicContact CG1-CG1 3.62Å; V130-Y138 HydrophobicContact CB-CE1 4.14Å; V130-Y138 HydrophobicContact CG1-CE1 3.92Å; V130-Y138 HydrophobicContact CG2-CE1 4.43Å; V130-L252 HydrophobicContact CB-CD2 4.11Å; V130-L252 HydrophobicContact CG1-CD2 3.64Å; V130-L252 HydrophobicContact CG2-CD2 4.07Å; V130-F297 HydrophobicContact CG1-CE1 4.3Å; V130-F297 HydrophobicContact CG2-CE1 3.82Å
131	A	98.6	Very high	98.5	Very high	33 Å²	33	30.5 Å²	30.5	27%	0.273	16%	0.164	S	C	.	.	H	α-helix	trans	-65.3	-43.7	178	0	0	0	0	0	112.5	R127 D128 S129 T133 N135 V136	R127-A131 PolarHBondContact O-N 2.73Å; D128-A131 PolarHBondContact O-N 2.89Å; S129-A131 VanDerWaalsContact C-N 3.34Å; A131-T133 VanDerWaalsContact C-N 3.34Å; A131-T133 PolarHBondContact O-N 3.27Å; A131-N135 WeakPolarHBondContact O-CA 3.41Å; A131-N135 PolarHBondContact O-N 3.26Å; A131-N135 VanDerWaalsContact O-N 3.16Å; A131-V136 WeakPolarHBondContact CA-O 2.99Å; A131-V136 PolarHBondContact N-O 3.03Å
132	L	98.5	Very high	98.4	Very high	68 Å²	68	30.6 Å²	30.6	36%	0.356	17%	0.165	S	C	.	.	H	α-helix	trans	-65.4	-33.6	-179.9	-74.8	165.9	0	0	0	113.5	V46 F50 D128 S129	V46-L132 HydrophobicContact CG1-CD1 3.84Å; F50-L132 HydrophobicContact CB-CD1 3.86Å; F50-L132 HydrophobicContact CD1-CB 4.36Å; F50-L132 HydrophobicContact CD1-CD1 4.24Å; F50-L132 HydrophobicContact CD1-CD2 4.27Å; F50-L132 HydrophobicContact CD2-CD1 4.43Å; F50-L132 HydrophobicContact CE1-CB 4.34Å; F50-L132 HydrophobicContact CG-CB 4.47Å; F50-L132 HydrophobicContact CG-CD1 3.93Å; F50-L132 HydrophobicContact CZ-CB 4.42Å; D128-L132 WeakPolarHBondContact O-CG 3.31Å; D128-L132 PolarHBondContact O-N 3.15Å; S129-L132 PolarHBondContact O-N 3.48Å
133	T	98.5	Very high	98.4	Very high	19 Å²	19	30.8 Å²	30.8	12%	0.117	17%	0.167	C	C	.	.	H	α-helix	trans	-100.2	-28.9	-174.2	53	0	0	0	0	113.7	F50 A57 S129 A131 I192 L252	F50-T133 HydrophobicContact CE2-CG2 3.79Å; F50-T133 HydrophobicContact CZ-CG2 4.12Å; A57-T133 HydrophobicContact CB-CG2 3.58Å; S129-T133 PolarHBondContact O-N 2.04Å; S129-T133 PolarHBondContact O-OG1 3.27Å; A131-T133 VanDerWaalsContact C-N 3.34Å; A131-T133 PolarHBondContact O-N 3.27Å; T133-I192 HydrophobicContact CG2-CD1 4.02Å; T133-L252 PolarHBondContact O-N 2.92Å; T133-L252 WeakPolarHBondContact OG1-CB 3.34Å
134	G	97.9	Very high	98.4	Very high	4 Å²	4	31 Å²	31	4%	0.041	17%	0.168	C	C	.	.	H	α-helix	trans	-114.3	-5.2	-172.5	0	0	0	0	0	115.5	V130 V136 L252 K294	V130-G134 WeakPolarHBondContact O-CA 3.23Å; V130-G134 PolarHBondContact O-N 3.28Å; G134-V136 PolarHBondContact O-N 2.03Å; G134-L252 VanDerWaalsContact CA-O 3.31Å; G134-L252 WeakPolarHBondContact CA-O 3.34Å; G134-K294 WeakPolarHBondContact O-CE 3.27Å; G134-K294 PolarHBondContact O-NZ 2.92Å
135	N	96.6	Very high	98.3	Very high	160 Å²	160	33.7 Å²	33.7	86%	0.856	18%	0.178	S	C	*	.	S	Bend	trans	50.9	37.6	-172.9	-167	31.6	0	0	0	112.5	A131	A131-N135 WeakPolarHBondContact O-CA 3.41Å; A131-N135 PolarHBondContact O-N 3.26Å; A131-N135 VanDerWaalsContact O-N 3.16Å
136	V	97.1	Very high	98.3	Very high	31 Å²	31	33.7 Å²	33.7	19%	0.188	18%	0.178	C	C	.	.			trans	-132.8	139.3	176.4	67.2	0	0	0	0	108.7	V130 A131 G134 K294 V298	V130-V136 HydrophobicContact CG1-CG1 3.62Å; A131-V136 WeakPolarHBondContact CA-O 2.99Å; A131-V136 PolarHBondContact N-O 3.03Å; G134-V136 PolarHBondContact O-N 2.03Å; V136-K294 HydrophobicContact CB-CD 4.41Å; V136-K294 HydrophobicContact CG1-CD 4.44Å; V136-K294 HydrophobicContact CG2-CB 4.46Å; V136-V298 HydrophobicContact CG1-CG1 4.12Å; V136-V298 HydrophobicContact CG2-CG1 3.76Å
137	T	97.6	Very high	98.3	Very high	97 Å²	97	33.7 Å²	33.7	60%	0.595	18%	0.178	S	C	*	.			trans	-131.2	162.6	-178.9	-168.6	0	0	0	0	110.9
138	Y	98.6	Very high	98.2	Very high	24 Å²	24	34.9 Å²	34.9	9%	0.094	19%	0.186	C	C	.	.			trans	-152.3	158.4	178	54.2	-82.4	0	0	0	110.5	R127 V130 V140 V298 M301 V302	R127-Y138 WeakPolarHBondContact CA-OH 3.24Å; R127-Y138 HydrophobicContact CB-CD2 4.5Å; R127-Y138 HydrophobicContact CB-CE1 4.07Å; R127-Y138 HydrophobicContact CB-CE2 3.84Å; R127-Y138 HydrophobicContact CG-CD1 3.92Å; R127-Y138 HydrophobicContact CG-CD2 3.96Å; R127-Y138 HydrophobicContact CG-CE1 3.74Å; R127-Y138 HydrophobicContact CG-CE2 3.79Å; R127-Y138 HydrophobicContact CG-CG 4.04Å; R127-Y138 WeakPolarHBondContact CG-O 3Å; R127-Y138 PolarHBondContact NH1-O 2.65Å; R127-Y138 VanDerWaalsContact NH1-O 3.1Å; V130-Y138 HydrophobicContact CB-CE1 4.14Å; V130-Y138 HydrophobicContact CG1-CE1 3.92Å; V130-Y138 HydrophobicContact CG2-CE1 4.43Å; Y138-V140 HydrophobicContact CD2-CG2 4.05Å; Y138-V140 HydrophobicContact CE2-CG2 3.86Å; Y138-V298 HydrophobicContact CD1-CB 3.62Å; Y138-V298 HydrophobicContact CD1-CG1 3.42Å; Y138-V298 VanDerWaalsContact CD1-CG1 3.42Å; Y138-V298 HydrophobicContact CE1-CB 4.34Å; Y138-V298 HydrophobicContact CE1-CG1 4.03Å; Y138-V298 HydrophobicContact CG-CB 3.87Å; Y138-V298 HydrophobicContact CG-CG1 4.16Å; Y138-M301 HydrophobicContact CE2-CB 4.18Å; Y138-V302 HydrophobicContact CD2-CG2 3.53Å; Y138-V302 HydrophobicContact CE2-CG2 4.03Å; Y138-V302 HydrophobicContact CG-CG2 4.41Å
139	K	98.5	Very high	98.1	Very high	155 Å²	155	36.1 Å²	36.1	67%	0.674	19%	0.194	S	C	*	.			trans	-82.9	132	174.3	-58.7	-170.2	-171.1	-179.7	0	108.5	V28 P141	V28-K139 HydrophobicContact CG1-CB 3.89Å; V28-K139 HydrophobicContact CG1-CD 3.77Å; V28-K139 HydrophobicContact CG1-CG 4.35Å; V28-K139 HydrophobicContact CG2-CB 3.87Å; K139-P141 WeakPolarHBondContact O-CD 2.85Å
140	V	98.6	Very high	98.1	Very high	6 Å²	6	37 Å²	37	4%	0.036	20%	0.199	C	C	.	.			trans	-100.2	115.9	-179.5	-178.7	0	0	0	0	108.6	A123 F124 R127 Y138 A142	A123-V140 HydrophobicContact CB-CG1 3.93Å; F124-V140 HydrophobicContact CD1-CB 3.76Å; F124-V140 HydrophobicContact CD1-CG1 3.84Å; F124-V140 HydrophobicContact CD1-CG2 4.21Å; F124-V140 HydrophobicContact CE1-CB 3.84Å; F124-V140 HydrophobicContact CE1-CG1 3.9Å; R127-V140 HydrophobicContact CB-CG2 3.57Å; R127-V140 HydrophobicContact CG-CG2 3.72Å; Y138-V140 HydrophobicContact CD2-CG2 4.05Å; Y138-V140 HydrophobicContact CE2-CG2 3.86Å; V140-A142 PolarHBondContact O-N 3.39Å
141	P	98.5	Very high	98.1	Very high	15 Å²	15	40.1 Å²	40.1	10%	0.097	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.9	133.1	165.5	-20.2	32.9	0	0	0	109.3	L26 V28 K139 R144 V302	L26-P141 HydrophobicContact CB-CB 3.83Å; L26-P141 HydrophobicContact CD1-CB 4.49Å; V28-P141 HydrophobicContact CG2-CG 4.22Å; K139-P141 WeakPolarHBondContact O-CD 2.85Å; P141-R144 PolarHBondContact O-NH1 3.26Å; P141-R144 PolarHBondContact O-NH2 2.86Å; P141-R144 VanDerWaalsContact O-NH2 3.12Å; P141-V302 HydrophobicContact CG-CG1 3.99Å
142	A	98.6	Very high	98.1	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.008	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	176.6	-178.6	0	0	0	0	0	110.8	L26 K27 F30 Y31 D120 F124 V140	L26-A142 CarbonylContact C-O 3.52Å; L26-A142 VanDerWaalsContact CA-O 3.24Å; L26-A142 WeakPolarHBondContact CA-O 3.26Å; K27-A142 PolarHBondContact N-O 3.3Å; K27-A142 PolarHBondContact O-N 2.85Å; F30-A142 HydrophobicContact CB-CB 3.92Å; Y31-A142 HydrophobicContact CD2-CB 4.3Å; Y31-A142 HydrophobicContact CE2-CB 3.95Å; D120-A142 HydrophobicContact CB-CB 4.46Å; D120-A142 WeakPolarHBondContact OD1-CA 3.41Å; F124-A142 HydrophobicContact CE1-CB 3.97Å; F124-A142 HydrophobicContact CZ-CB 3.55Å; V140-A142 PolarHBondContact O-N 3.39Å
143	G	98	Very high	98.1	Very high	5 Å²	5	40.8 Å²	40.8	5%	0.052	21%	0.214	C	C	.	.			trans	113.1	13.6	-169.8	0	0	0	0	0	113.4	D120	D120-G143 WeakPolarHBondContact OD2-CA 3.48Å; D120-G143 PolarHBondContact OD2-N 2.73Å
144	R	98.4	Very high	98.1	Very high	4 Å²	4	41.3 Å²	41.3	2%	0.015	22%	0.216	C	C	.	.			trans	-69	153.7	174.3	-62.5	174.1	-171	74.1	4.9	109.9	L26 C73 S117 A119 D120 P141 G305 V309 K310	L26-R144 HydrophobicContact CD1-CG 4.38Å; L26-R144 HydrophobicContact CD2-CG 3.76Å; C73-R144 WeakPolarHBondContact O-CD 3.47Å; S117-R144 WeakPolarHBondContact CB-O 3.48Å; S117-R144 PolarHBondContact OG-O 2.95Å; A119-R144 HydrophobicContact CB-CB 3.68Å; D120-R144 WeakPolarHBondContact OD1-CB 3.48Å; D120-R144 WeakPolarHBondContact OD1-CD 3.3Å; D120-R144 VanDerWaalsContact OD1-CG 3.3Å; D120-R144 WeakPolarHBondContact OD1-CG 3.45Å; D120-R144 IonicContact OD1-CZ 3.82Å; D120-R144 PolarHBondContact OD1-N 3.44Å; D120-R144 IonicContact OD1-NH1 2.73Å; D120-R144 PolarHBondContact OD1-NH1 3Å; D120-R144 PolarHBondContact OD2-N 2.84Å; P141-R144 PolarHBondContact O-NH1 3.26Å; P141-R144 PolarHBondContact O-NH2 2.86Å; P141-R144 VanDerWaalsContact O-NH2 3.12Å; R144-G305 PolarHBondContact NE-O 2.78Å; R144-G305 PolarHBondContact NH2-O 2.93Å; R144-V309 HydrophobicContact CG-CB 4.2Å; R144-V309 HydrophobicContact CG-CG1 3.89Å; R144-K310 CarbonylContact C-O 3.52Å; R144-K310 WeakPolarHBondContact CA-O 3.03Å
145	R	98.3	Very high	98.1	Very high	58 Å²	58	41.1 Å²	41.1	22%	0.219	21%	0.214	C	C	.	.	B	Isolated β-bridge	trans	-116.6	150.8	174.3	-61.7	-72.8	-68.1	-175.3	-7.3	109.2	K310 G312 Q315 G316 E317	R145-K310 HydrophobicContact CB-CB 3.82Å; R145-K310 WeakPolarHBondContact CB-O 3.48Å; R145-K310 PolarHBondContact N-O 2.95Å; R145-G312 WeakPolarHBondContact CD-O 3.08Å; R145-G312 PolarHBondContact NE-O 3.06Å; R145-Q315 WeakPolarHBondContact CB-O 3.2Å; R145-Q315 VanDerWaalsContact CG-O 3.31Å; R145-Q315 WeakPolarHBondContact CG-O 3.26Å; R145-G316 PolarHBondContact NH2-O 3.49Å; R145-G316 VanDerWaalsContact NH2-O 3.14Å; R145-E317 PolarHBondContact NE-O 2.83Å; R145-E317 VanDerWaalsContact NH2-CA 3.26Å
146	D	98.7	Very high	98.1	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.191	C	C	.	.	B	Isolated β-bridge	trans	-80.5	132.1	-178.1	-61.1	-43.3	0	0	0	110.7	D74 S117 C118 A119 G316 E317 R319	D74-D146 CarbonylContact O-C 3.35Å; D74-D146 VanDerWaalsContact O-CA 3.26Å; D74-D146 WeakPolarHBondContact O-CA 3.47Å; S117-D146 WeakPolarHBondContact CB-OD1 3.35Å; C118-D146 WeakPolarHBondContact CA-OD1 3.27Å; C118-D146 VanDerWaalsContact CB-OD1 3.3Å; C118-D146 WeakPolarHBondContact CB-OD1 3.29Å; C118-D146 VanDerWaalsContact N-CG 3.34Å; C118-D146 PolarHBondContact N-OD1 3.38Å; C118-D146 PolarHBondContact N-OD2 3.49Å; C118-D146 VanDerWaalsContact N-OD2 3.08Å; A119-D146 PolarHBondContact N-OD1 2.84Å; D146-G316 CarbonylContact O-C 3.58Å; D146-G316 WeakPolarHBondContact O-CA 3.31Å; D146-E317 HydrophobicContact CB-CG 4.29Å; D146-E317 WeakPolarHBondContact CB-O 3.23Å; D146-E317 PolarHBondContact N-O 3.22Å; D146-E317 PolarHBondContact O-N 3.36Å; D146-R319 HydrophobicContact CB-CB 4.42Å; D146-R319 HydrophobicContact CB-CG 3.91Å; D146-R319 PolarHBondContact OD2-N 3.03Å
147	G	98	Very high	98.2	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.202	C	C	.	.			trans	-70.3	161.7	168.4	0	0	0	0	0	113.2	D74 K310	D74-G147 PolarHBondContact O-N 3.22Å; D74-G147 VanDerWaalsContact OD2-CA 3.23Å; D74-G147 WeakPolarHBondContact OD2-CA 3.26Å; G147-K310 VanDerWaalsContact CA-NZ 3.28Å
148	N	96.3	Very high	98.2	Very high	46 Å²	46	36.6 Å²	36.6	25%	0.246	19%	0.185	C	C	.	.	S	Bend	trans	-114.1	-8.1	-179.4	55.6	-28.5	0	0	0	113	V325 E333	N148-V325 HydrophobicContact CB-CG1 3.92Å; N148-V325 HydrophobicContact CB-CG2 4.22Å; N148-V325 WeakPolarHBondContact O-CG2 3.37Å; N148-E333 PolarHBondContact ND2-OE1 3.39Å; N148-E333 PolarHBondContact ND2-OE2 3.2Å
149	V	97.7	Very high	98.2	Very high	33 Å²	33	35.9 Å²	35.9	20%	0.2	18%	0.183	C	C	.	.			trans	-115.2	131.6	-176.8	-179.6	0	0	0	0	109.1	S76 I151 E333	S76-V149 WeakPolarHBondContact CB-O 3.4Å; V149-I151 HydrophobicContact CG1-CD1 3.8Å; V149-I151 HydrophobicContact CG1-CG1 3.83Å; V149-E333 WeakPolarHBondContact CG2-OE1 3.25Å
150	S	98.4	Very high	98.2	Very high	17 Å²	17	29.9 Å²	29.9	12%	0.119	16%	0.16	C	C	.	.			trans	-142	121.8	172.4	-176	0	0	0	0	108.5	S76 E85	S76-S150 VanDerWaalsContact O-CB 3.31Å; S76-S150 WeakPolarHBondContact O-CB 3.34Å; S76-S150 PolarHBondContact O-OG 3.04Å; S76-S150 VanDerWaalsContact O-OG 3.05Å; E85-S150 WeakPolarHBondContact CB-OG 3.36Å; E85-S150 WeakPolarHBondContact CG-OG 3.48Å; E85-S150 PolarHBondContact N-OG 3.12Å; E85-S150 PolarHBondContact OE1-OG 2.88Å
151	I	98.6	Very high	98.1	Very high	67 Å²	67	31.7 Å²	31.7	34%	0.344	17%	0.171	S	C	.	.			trans	-133.9	129.5	-173.6	-54.8	177.4	0	0	0	109.1	D83 E85 V149 Q153 D154	D83-I151 CarbonylContact O-C 3.49Å; D83-I151 WeakPolarHBondContact O-CA 3.49Å; E85-I151 WeakPolarHBondContact CG-O 3.37Å; V149-I151 HydrophobicContact CG1-CD1 3.8Å; V149-I151 HydrophobicContact CG1-CG1 3.83Å; I151-Q153 VanDerWaalsContact C-N 3.27Å; I151-Q153 HydrophobicContact CG2-CB 4.17Å; I151-Q153 PolarHBondContact O-N 3.28Å; I151-D154 HydrophobicContact CB-CB 4.44Å; I151-D154 WeakPolarHBondContact CB-OD2 3.48Å; I151-D154 PolarHBondContact O-N 3.34Å
152	A	98.5	Very high	98.1	Very high	16 Å²	16	32.8 Å²	32.8	13%	0.132	18%	0.179	C	C	.	.	H	α-helix	trans	-58.7	-38.1	-178.8	0	0	0	0	0	112.7	D83 T84 A88 A155 L156	D83-A152 PolarHBondContact O-N 2.8Å; T84-A152 WeakPolarHBondContact O-CA 3.42Å; T84-A152 WeakPolarHBondContact O-CB 2.85Å; A88-A152 HydrophobicContact CB-CB 4.16Å; A88-A152 WeakPolarHBondContact CB-O 3.37Å; A152-A155 WeakPolarHBondContact O-CB 3.49Å; A152-A155 PolarHBondContact O-N 3.43Å; A152-L156 PolarHBondContact O-N 2.89Å
153	Q	98.4	Very high	98	Very high	99 Å²	99	36.4 Å²	36.4	46%	0.463	20%	0.201	S	C	.	.	H	α-helix	trans	-65.7	-37.5	179.1	-170.2	58.7	45.3	0	0	112.2	I151 A155 L156 D157	I151-Q153 VanDerWaalsContact C-N 3.27Å; I151-Q153 HydrophobicContact CG2-CB 4.17Å; I151-Q153 PolarHBondContact O-N 3.28Å; Q153-A155 PolarHBondContact O-N 3Å; Q153-L156 WeakPolarHBondContact O-CB 3.41Å; Q153-L156 PolarHBondContact O-N 2.96Å; Q153-D157 PolarHBondContact NE2-OD1 2.79Å; Q153-D157 WeakPolarHBondContact O-CB 3.33Å; Q153-D157 VanDerWaalsContact O-CG 3.32Å; Q153-D157 PolarHBondContact O-N 3.48Å
154	D	98.4	Very high	98	Very high	29 Å²	29	37.9 Å²	37.9	16%	0.155	21%	0.206	C	C	.	.	H	α-helix	trans	-61.6	-35.3	178.4	-65.6	-23.9	0	0	0	111.5	V70 R71 I151 D157 N158	V70-D154 HydrophobicContact CG1-CB 3.61Å; R71-D154 IonicContact CZ-OD2 3.96Å; R71-D154 IonicContact NE-OD2 3.57Å; R71-D154 PolarHBondContact NE-OD2 2.95Å; R71-D154 IonicContact NH2-OD1 3.35Å; R71-D154 IonicContact NH2-OD2 3.96Å; R71-D154 PolarHBondContact NH2-OD2 3.49Å; I151-D154 HydrophobicContact CB-CB 4.44Å; I151-D154 WeakPolarHBondContact CB-OD2 3.48Å; I151-D154 PolarHBondContact O-N 3.34Å; D154-D157 PolarHBondContact O-N 3.11Å; D154-N158 WeakPolarHBondContact O-CB 3.32Å; D154-N158 PolarHBondContact O-N 3.31Å; D154-N158 VanDerWaalsContact O-N 3.08Å; D154-N158 PolarHBondContact O-ND2 3.43Å
155	A	98.4	Very high	98	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-64.6	-42.5	173.9	0	0	0	0	0	112.1	V70 E85 A88 P90 A152 Q153 D157 L159	V70-A155 HydrophobicContact CG2-CB 4.22Å; E85-A155 HydrophobicContact CB-CB 4.4Å; E85-A155 HydrophobicContact CG-CB 4.22Å; A88-A155 HydrophobicContact CB-CB 3.68Å; P90-A155 HydrophobicContact CG-CB 4.44Å; A152-A155 WeakPolarHBondContact O-CB 3.49Å; A152-A155 PolarHBondContact O-N 3.43Å; Q153-A155 PolarHBondContact O-N 3Å; A155-D157 VanDerWaalsContact C-N 3.34Å; A155-L159 HydrophobicContact CB-CD1 3.95Å; A155-L159 WeakPolarHBondContact O-CB 3.19Å; A155-L159 VanDerWaalsContact O-CG 3.24Å; A155-L159 WeakPolarHBondContact O-CG 3.43Å; A155-L159 PolarHBondContact O-N 2.86Å
156	L	97.2	Very high	98	Very high	72 Å²	72	38.7 Å²	38.7	38%	0.377	22%	0.216	S	C	.	.	H	α-helix	trans	-64.5	-39.4	174.9	-75.4	171.5	0	0	0	112.4	P89 A152 Q153 N158	P89-L156 HydrophobicContact CB-CD2 4.21Å; P89-L156 HydrophobicContact CG-CD1 4.46Å; P89-L156 HydrophobicContact CG-CD2 3.97Å; A152-L156 PolarHBondContact O-N 2.89Å; Q153-L156 WeakPolarHBondContact O-CB 3.41Å; Q153-L156 PolarHBondContact O-N 2.96Å; L156-N158 VanDerWaalsContact C-N 3.33Å; L156-N158 PolarHBondContact O-N 2.94Å
157	D	97.9	Very high	98	Very high	76 Å²	76	44.1 Å²	44.1	41%	0.406	25%	0.249	S	C	.	.	H	α-helix	trans	-75.5	-23.3	-175.2	-70.5	-13.6	0	0	0	112.8	Q153 D154 A155 R172	Q153-D157 PolarHBondContact NE2-OD1 2.79Å; Q153-D157 WeakPolarHBondContact O-CB 3.33Å; Q153-D157 VanDerWaalsContact O-CG 3.32Å; Q153-D157 PolarHBondContact O-N 3.48Å; D154-D157 PolarHBondContact O-N 3.11Å; A155-D157 VanDerWaalsContact C-N 3.34Å; D157-R172 PolarHBondContact O-NH1 3.3Å; D157-R172 PolarHBondContact O-NH2 3.38Å
158	N	98.4	Very high	98	Very high	46 Å²	46	48.1 Å²	48.1	25%	0.246	27%	0.267	C	S	.	.	H	α-helix	trans	-113.6	-31	-173.9	-69.6	-86.9	0	0	0	114.8	F69 V70 D154 L156 K176	F69-N158 WeakPolarHBondContact O-CB 3.23Å; V70-N158 HydrophobicContact CG2-CB 4.39Å; D154-N158 WeakPolarHBondContact O-CB 3.32Å; D154-N158 PolarHBondContact O-N 3.31Å; D154-N158 VanDerWaalsContact O-N 3.08Å; D154-N158 PolarHBondContact O-ND2 3.43Å; L156-N158 VanDerWaalsContact C-N 3.33Å; L156-N158 PolarHBondContact O-N 2.94Å; N158-K176 PolarHBondContact OD1-NZ 2.59Å
159	L	98.5	Very high	98.1	Very high	9 Å²	9	46.4 Å²	46.4	5%	0.047	26%	0.258	C	S	.	.	S	Bend	trans	-77.7	130.4	-176.9	-63.2	172.2	0	0	0	111.1	H66 F69 V70 P90 A155 P161	H66-L159 HydrophobicContact CB-CD2 4.28Å; H66-L159 WeakPolarHBondContact ND1-CD1 3.48Å; F69-L159 HydrophobicContact CB-CD2 3.75Å; V70-L159 HydrophobicContact CG2-CD1 4.41Å; V70-L159 HydrophobicContact CG2-CD2 4.11Å; V70-L159 HydrophobicContact CG2-CG 4.01Å; P90-L159 HydrophobicContact CB-CD1 3.92Å; P90-L159 HydrophobicContact CG-CD1 3.69Å; A155-L159 HydrophobicContact CB-CD1 3.95Å; A155-L159 WeakPolarHBondContact O-CB 3.19Å; A155-L159 VanDerWaalsContact O-CG 3.24Å; A155-L159 WeakPolarHBondContact O-CG 3.43Å; A155-L159 PolarHBondContact O-N 2.86Å; L159-P161 WeakPolarHBondContact O-CD 3.46Å
160	P	98.2	Very high	98.2	Very high	29 Å²	29	46.9 Å²	46.9	19%	0.188	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-72.2	123.9	177	28.1	-32.1	0	0	0	110.5	F65 F164 L169 R172 F173	F65-P160 HydrophobicContact CZ-CG 3.84Å; P160-F164 HydrophobicContact CB-CD2 4.24Å; P160-L169 HydrophobicContact CB-CD2 4.08Å; P160-R172 HydrophobicContact CB-CB 4.47Å; P160-R172 HydrophobicContact CB-CG 4.37Å; P160-F173 HydrophobicContact CG-CE2 4.16Å
161	P	97.9	Very high	98.1	Very high	44 Å²	44	47.6 Å²	47.6	29%	0.286	27%	0.271	S	S	.	.	P	Polyproline II helix	trans	-74.4	158.9	173.6	32.6	-36.2	0	0	0	111.6	L159 T163 F164	L159-P161 WeakPolarHBondContact O-CD 3.46Å; P161-T163 PolarHBondContact O-N 3.24Å; P161-F164 VanDerWaalsContact CD-CE1 3.45Å; P161-F164 VanDerWaalsContact CD-CZ 3.43Å; P161-F164 HydrophobicContact CG-CD1 3.26Å; P161-F164 HydrophobicContact CG-CD2 4.3Å; P161-F164 HydrophobicContact CG-CE1 3.21Å; P161-F164 HydrophobicContact CG-CE2 4.29Å; P161-F164 HydrophobicContact CG-CG 3.83Å; P161-F164 HydrophobicContact CG-CZ 3.77Å; P161-F164 PolarHBondContact O-N 3.2Å
162	P	97.8	Very high	98.1	Very high	38 Å²	38	47.7 Å²	47.7	25%	0.247	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-7.7	-178.1	29.1	-36.6	0	0	0	114	S199 F267 T268 S269	P162-S199 VanDerWaalsContact CG-O 3.29Å; P162-S199 WeakPolarHBondContact CG-O 3.43Å; P162-F267 HydrophobicContact CB-CB 3.98Å; P162-F267 HydrophobicContact CB-CD1 3.55Å; P162-F267 HydrophobicContact CB-CE1 4.19Å; P162-F267 HydrophobicContact CB-CG 3.86Å; P162-T268 WeakPolarHBondContact O-CB 3.31Å; P162-T268 PolarHBondContact O-N 3.19Å; P162-S269 PolarHBondContact O-N 3.33Å; P162-S269 PolarHBondContact O-OG 3.4Å
163	T	97.1	Very high	98.1	Very high	77 Å²	77	47.4 Å²	47.4	47%	0.472	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.8	-9.8	-178.6	51.3	0	0	0	0	114	P161	P161-T163 PolarHBondContact O-N 3.24Å
164	F	97.7	Very high	98.1	Very high	35 Å²	35	45.3 Å²	45.3	15%	0.154	26%	0.263	C	S	.	.			trans	-64.7	145.3	-176.4	-86.1	9.6	0	0	0	113.7	P160 P161 E168 L169 R172	P160-F164 HydrophobicContact CB-CD2 4.24Å; P161-F164 VanDerWaalsContact CD-CE1 3.45Å; P161-F164 VanDerWaalsContact CD-CZ 3.43Å; P161-F164 HydrophobicContact CG-CD1 3.26Å; P161-F164 HydrophobicContact CG-CD2 4.3Å; P161-F164 HydrophobicContact CG-CE1 3.21Å; P161-F164 HydrophobicContact CG-CE2 4.29Å; P161-F164 HydrophobicContact CG-CG 3.83Å; P161-F164 HydrophobicContact CG-CZ 3.77Å; P161-F164 PolarHBondContact O-N 3.2Å; F164-E168 WeakPolarHBondContact CA-OE2 3.46Å; F164-E168 HydrophobicContact CB-CB 3.97Å; F164-E168 HydrophobicContact CD1-CB 4.31Å; F164-E168 HydrophobicContact CD2-CB 3.56Å; F164-E168 HydrophobicContact CE2-CB 4.01Å; F164-E168 HydrophobicContact CG-CB 3.73Å; F164-L169 HydrophobicContact CB-CD2 3.91Å; F164-L169 HydrophobicContact CB-CG 3.9Å; F164-R172 HydrophobicContact CD2-CG 4.06Å; F164-R172 HydrophobicContact CE2-CG 3.56Å
165	N	97.9	Very high	98.1	Very high	73 Å²	73	49.6 Å²	49.6	39%	0.39	29%	0.286	S	S	.	.			trans	-82.7	175.6	170.7	73.3	50.7	0	0	0	112	T167 E168 L169	N165-T167 VanDerWaalsContact C-N 3.35Å; N165-T167 PolarHBondContact O-N 3.45Å; N165-T167 WeakPolarHBondContact OD1-CA 2.95Å; N165-T167 WeakPolarHBondContact OD1-CB 3.2Å; N165-T167 PolarHBondContact OD1-N 2.95Å; N165-E168 PolarHBondContact N-OE2 2.88Å; N165-E168 PolarHBondContact ND2-OE2 2.83Å; N165-E168 PolarHBondContact O-N 3.25Å; N165-E168 PolarHBondContact OD1-N 2.86Å; N165-L169 VanDerWaalsContact O-CG 3.3Å; N165-L169 WeakPolarHBondContact O-CG 3.36Å; N165-L169 PolarHBondContact O-N 3.47Å
166	A	98.2	Very high	98.1	Very high	7 Å²	7	50.3 Å²	50.3	6%	0.058	29%	0.289	C	S	.	.	H	α-helix	trans	-58.8	-41.9	-176.3	0	0	0	0	0	113.4	V170 A272 N276 L279	A166-V170 WeakPolarHBondContact O-CB 3.44Å; A166-V170 VanDerWaalsContact O-CG2 3.24Å; A166-V170 WeakPolarHBondContact O-CG2 3.31Å; A166-V170 PolarHBondContact O-N 3.47Å; A166-A272 HydrophobicContact CB-CB 4.45Å; A166-N276 HydrophobicContact CB-CB 4.32Å; A166-L279 HydrophobicContact CB-CD1 3.79Å
167	T	98.4	Very high	98.1	Very high	114 Å²	114	51.6 Å²	51.6	70%	0.699	30%	0.304	S	S	*	.	H	α-helix	trans	-66.7	-43.4	-179.2	-57.8	0	0	0	0	110.9	N165 G171	N165-T167 VanDerWaalsContact C-N 3.35Å; N165-T167 PolarHBondContact O-N 3.45Å; N165-T167 WeakPolarHBondContact OD1-CA 2.95Å; N165-T167 WeakPolarHBondContact OD1-CB 3.2Å; N165-T167 PolarHBondContact OD1-N 2.95Å; T167-G171 PolarHBondContact O-N 3.11Å
168	E	98.4	Very high	98.1	Very high	83 Å²	83	48.1 Å²	48.1	39%	0.388	29%	0.285	S	S	.	.	H	α-helix	trans	-66	-43.7	178.7	-65.1	168.6	136.7	0	0	111.5	F164 N165 G171 R172	F164-E168 WeakPolarHBondContact CA-OE2 3.46Å; F164-E168 HydrophobicContact CB-CB 3.97Å; F164-E168 HydrophobicContact CD1-CB 4.31Å; F164-E168 HydrophobicContact CD2-CB 3.56Å; F164-E168 HydrophobicContact CE2-CB 4.01Å; F164-E168 HydrophobicContact CG-CB 3.73Å; N165-E168 PolarHBondContact N-OE2 2.88Å; N165-E168 PolarHBondContact ND2-OE2 2.83Å; N165-E168 PolarHBondContact O-N 3.25Å; N165-E168 PolarHBondContact OD1-N 2.86Å; E168-G171 PolarHBondContact O-N 2.95Å; E168-R172 WeakPolarHBondContact O-CG 3.36Å; E168-R172 PolarHBondContact O-N 2.71Å
169	L	98.6	Very high	98.1	Very high	10 Å²	10	49.2 Å²	49.2	5%	0.052	29%	0.294	C	S	.	.	H	α-helix	trans	-60	-49.5	175.4	-70.7	168.9	0	0	0	111.7	P160 F164 N165 G171 R172 F173 M183 A272	P160-L169 HydrophobicContact CB-CD2 4.08Å; F164-L169 HydrophobicContact CB-CD2 3.91Å; F164-L169 HydrophobicContact CB-CG 3.9Å; N165-L169 VanDerWaalsContact O-CG 3.3Å; N165-L169 WeakPolarHBondContact O-CG 3.36Å; N165-L169 PolarHBondContact O-N 3.47Å; L169-G171 VanDerWaalsContact C-N 3.31Å; L169-G171 PolarHBondContact O-N 3.16Å; L169-R172 PolarHBondContact O-N 2.69Å; L169-F173 WeakPolarHBondContact O-CD2 3.03Å; L169-F173 PolarHBondContact O-N 2.89Å; L169-M183 HydrophobicContact CB-CE 4.08Å; L169-M183 HydrophobicContact CB-SD 4.22Å; L169-A272 HydrophobicContact CD1-CB 4Å
170	V	98.5	Very high	98.1	Very high	44 Å²	44	50.3 Å²	50.3	27%	0.267	30%	0.304	S	S	.	.	H	α-helix	trans	-60.7	-43.1	178.1	170.3	0	0	0	0	110.6	A166 F173 A174 A180 M183 L279	A166-V170 WeakPolarHBondContact O-CB 3.44Å; A166-V170 VanDerWaalsContact O-CG2 3.24Å; A166-V170 WeakPolarHBondContact O-CG2 3.31Å; A166-V170 PolarHBondContact O-N 3.47Å; V170-F173 PolarHBondContact O-N 2.95Å; V170-A174 VanDerWaalsContact O-CB 3.24Å; V170-A174 WeakPolarHBondContact O-CB 3.24Å; V170-A174 PolarHBondContact O-N 3.35Å; V170-A180 HydrophobicContact CG1-CB 4.03Å; V170-A180 HydrophobicContact CG2-CB 3.91Å; V170-M183 HydrophobicContact CG2-CE 3.78Å; V170-L279 HydrophobicContact CG2-CD1 4.31Å; V170-L279 HydrophobicContact CG2-CD2 4.12Å
171	G	98.3	Very high	98.1	Very high	32 Å²	32	52.4 Å²	52.4	33%	0.33	31%	0.312	S	S	.	.	H	α-helix	trans	-60.9	-46	176.6	0	0	0	0	0	113	T167 E168 L169 F173 A174 N175	T167-G171 PolarHBondContact O-N 3.11Å; E168-G171 PolarHBondContact O-N 2.95Å; L169-G171 VanDerWaalsContact C-N 3.31Å; L169-G171 PolarHBondContact O-N 3.16Å; G171-F173 PolarHBondContact O-N 3.4Å; G171-A174 PolarHBondContact O-N 2.9Å; G171-N175 PolarHBondContact O-N 3.47Å; G171-N175 PolarHBondContact O-OD1 3.43Å
172	R	98.1	Very high	98.2	Very high	68 Å²	68	51.4 Å²	51.4	26%	0.257	30%	0.304	S	S	.	.	H	α-helix	trans	-60.4	-45.2	177.1	-75.4	-61.2	-163.9	-167.9	9.9	112.6	D157 P160 F164 E168 L169 N175	D157-R172 PolarHBondContact O-NH1 3.3Å; D157-R172 PolarHBondContact O-NH2 3.38Å; P160-R172 HydrophobicContact CB-CB 4.47Å; P160-R172 HydrophobicContact CB-CG 4.37Å; F164-R172 HydrophobicContact CD2-CG 4.06Å; F164-R172 HydrophobicContact CE2-CG 3.56Å; E168-R172 WeakPolarHBondContact O-CG 3.36Å; E168-R172 PolarHBondContact O-N 2.71Å; L169-R172 PolarHBondContact O-N 2.69Å; R172-N175 PolarHBondContact O-N 3.33Å
173	F	98.7	Very high	98.2	Very high	11 Å²	11	49.6 Å²	49.6	5%	0.048	29%	0.292	C	S	.	.	H	α-helix	trans	-69.4	-37	178.3	-85.2	-112.4	0	0	0	111.8	F65 F69 P160 L169 V170 G171 N175 K176 S177 L178 M183 L186	F65-F173 HydrophobicContact CE2-CZ 4.2Å; F69-F173 HydrophobicContact CE1-CD2 4.07Å; F69-F173 HydrophobicContact CE1-CE2 4.07Å; F69-F173 HydrophobicContact CE1-CG 4.34Å; F69-F173 HydrophobicContact CE1-CZ 4.32Å; F69-F173 AromaticContact CZ-CD1 3.84Å; F69-F173 HydrophobicContact CZ-CD1 3.84Å; F69-F173 HydrophobicContact CZ-CD2 4.13Å; F69-F173 AromaticContact CZ-CE1 3.8Å; F69-F173 HydrophobicContact CZ-CE1 3.8Å; F69-F173 HydrophobicContact CZ-CE2 4.11Å; F69-F173 HydrophobicContact CZ-CG 4.01Å; F69-F173 AromaticContact CZ-CZ 3.94Å; F69-F173 HydrophobicContact CZ-CZ 3.94Å; P160-F173 HydrophobicContact CG-CE2 4.16Å; L169-F173 WeakPolarHBondContact O-CD2 3.03Å; L169-F173 PolarHBondContact O-N 2.89Å; V170-F173 PolarHBondContact O-N 2.95Å; G171-F173 PolarHBondContact O-N 3.4Å; F173-N175 VanDerWaalsContact C-N 3.31Å; F173-N175 PolarHBondContact O-N 2.93Å; F173-K176 CarbonylContact O-C 3.52Å; F173-K176 WeakPolarHBondContact O-CA 3.35Å; F173-K176 PolarHBondContact O-N 3.44Å; F173-S177 PolarHBondContact O-N 3.46Å; F173-L178 CarbonylContact C-O 3.6Å; F173-L178 VanDerWaalsContact C-O 3.3Å; F173-L178 HydrophobicContact CB-CB 4.08Å; F173-L178 HydrophobicContact CD1-CB 3.93Å; F173-L178 HydrophobicContact CD1-CD1 3.69Å; F173-L178 HydrophobicContact CD1-CG 4.49Å; F173-L178 HydrophobicContact CE1-CD1 4.1Å; F173-L178 HydrophobicContact CG-CB 4.49Å; F173-L178 WeakPolarHBondContact O-CB 3.36Å; F173-L178 PolarHBondContact O-N 2.98Å; F173-M183 HydrophobicContact CB-CB 3.96Å; F173-M183 HydrophobicContact CB-CG 4.21Å; F173-M183 HydrophobicContact CD1-CB 3.5Å; F173-M183 HydrophobicContact CD1-CG 3.77Å; F173-M183 HydrophobicContact CD2-CB 4.08Å; F173-M183 HydrophobicContact CD2-CG 3.48Å; F173-M183 VanDerWaalsContact CD2-CG 3.48Å; F173-M183 HydrophobicContact CE1-CB 3.96Å; F173-M183 HydrophobicContact CE1-CG 3.94Å; F173-M183 HydrophobicContact CE2-CB 4.47Å; F173-M183 HydrophobicContact CE2-CG 3.65Å; F173-M183 HydrophobicContact CG-CB 3.57Å; F173-M183 HydrophobicContact CG-CG 3.54Å; F173-M183 HydrophobicContact CZ-CB 4.42Å; F173-M183 HydrophobicContact CZ-CG 3.89Å; F173-L186 HydrophobicContact CE1-CB 4.28Å; F173-L186 HydrophobicContact CE1-CD1 4Å
174	A	98.4	Very high	98.3	Very high	55 Å²	55	46 Å²	46	46%	0.455	27%	0.27	S	S	.	.	H	α-helix	trans	-61.6	-38.4	175.5	0	0	0	0	0	112.2	V170 G171 K176 S177 L178	V170-A174 VanDerWaalsContact O-CB 3.24Å; V170-A174 WeakPolarHBondContact O-CB 3.24Å; V170-A174 PolarHBondContact O-N 3.35Å; G171-A174 PolarHBondContact O-N 2.9Å; A174-K176 PolarHBondContact O-N 3.05Å; A174-K176 VanDerWaalsContact O-N 3.12Å; A174-S177 PolarHBondContact O-N 3.05Å; A174-L178 WeakPolarHBondContact CA-O 3.3Å; A174-L178 PolarHBondContact N-O 3.31Å
175	N	98.1	Very high	98.4	Very high	119 Å²	119	44.4 Å²	44.4	64%	0.636	26%	0.263	S	S	*	.	H	α-helix	trans	-59.6	-22.2	173.1	-70.9	-5.8	0	0	0	112.8	G171 R172 F173	G171-N175 PolarHBondContact O-N 3.47Å; G171-N175 PolarHBondContact O-OD1 3.43Å; R172-N175 PolarHBondContact O-N 3.33Å; F173-N175 VanDerWaalsContact C-N 3.31Å; F173-N175 PolarHBondContact O-N 2.93Å
176	K	98.1	Very high	98.4	Very high	14 Å²	14	41.7 Å²	41.7	6%	0.061	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.3	21	175.7	-58.5	-52.1	-172	175.2	0	113.2	F69 N158 F173 A174 L178 I307 E308	F69-K176 HydrophobicContact CD1-CG 3.97Å; F69-K176 HydrophobicContact CD2-CG 4.38Å; F69-K176 HydrophobicContact CE1-CB 4.46Å; F69-K176 HydrophobicContact CE1-CG 3.95Å; F69-K176 HydrophobicContact CE2-CB 4.33Å; F69-K176 HydrophobicContact CE2-CG 4.34Å; F69-K176 HydrophobicContact CG-CG 4.19Å; F69-K176 HydrophobicContact CZ-CB 4.18Å; F69-K176 HydrophobicContact CZ-CG 4.13Å; F69-K176 WeakPolarHBondContact O-CE 3.41Å; F69-K176 PolarHBondContact O-NZ 2.82Å; F69-K176 VanDerWaalsContact O-NZ 3.09Å; N158-K176 PolarHBondContact OD1-NZ 2.59Å; F173-K176 CarbonylContact O-C 3.52Å; F173-K176 WeakPolarHBondContact O-CA 3.35Å; F173-K176 PolarHBondContact O-N 3.44Å; A174-K176 PolarHBondContact O-N 3.05Å; A174-K176 VanDerWaalsContact O-N 3.12Å; K176-L178 PolarHBondContact O-N 3.07Å; K176-L178 VanDerWaalsContact O-N 3.11Å; K176-I307 HydrophobicContact CB-CD1 3.98Å; K176-I307 HydrophobicContact CB-CG2 4.44Å; K176-I307 HydrophobicContact CD-CG2 4.25Å; K176-E308 WeakPolarHBondContact CD-OE1 3.45Å; K176-E308 IonicContact NZ-OE1 3.88Å; K176-E308 PolarHBondContact NZ-OE1 3.24Å
177	S	97.3	Very high	98.4	Very high	99 Å²	99	42.1 Å²	42.1	69%	0.692	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.3	21.3	-179.4	-58.8	0	0	0	0	114.5	F173 A174 K303	F173-S177 PolarHBondContact O-N 3.46Å; A174-S177 PolarHBondContact O-N 3.05Å; S177-K303 WeakPolarHBondContact O-CE 3.34Å; S177-K303 PolarHBondContact O-NZ 2.84Å; S177-K303 VanDerWaalsContact O-NZ 3.12Å
178	L	98.5	Very high	98.5	Very high	4 Å²	4	36.7 Å²	36.7	2%	0.021	22%	0.218	C	C	.	.			trans	-98.1	135.9	173.4	-64.6	175.5	0	0	0	109.5	F69 F173 A174 K176 D182 L186 K303 M304 I307	F69-L178 HydrophobicContact CE2-CD1 3.76Å; F69-L178 HydrophobicContact CZ-CD1 3.82Å; F173-L178 CarbonylContact C-O 3.6Å; F173-L178 VanDerWaalsContact C-O 3.3Å; F173-L178 HydrophobicContact CB-CB 4.08Å; F173-L178 HydrophobicContact CD1-CB 3.93Å; F173-L178 HydrophobicContact CD1-CD1 3.69Å; F173-L178 HydrophobicContact CD1-CG 4.49Å; F173-L178 HydrophobicContact CE1-CD1 4.1Å; F173-L178 HydrophobicContact CG-CB 4.49Å; F173-L178 WeakPolarHBondContact O-CB 3.36Å; F173-L178 PolarHBondContact O-N 2.98Å; A174-L178 WeakPolarHBondContact CA-O 3.3Å; A174-L178 PolarHBondContact N-O 3.31Å; K176-L178 PolarHBondContact O-N 3.07Å; K176-L178 VanDerWaalsContact O-N 3.11Å; L178-D182 HydrophobicContact CB-CB 3.97Å; L178-D182 HydrophobicContact CD2-CB 4.11Å; L178-L186 HydrophobicContact CD1-CD1 3.83Å; L178-K303 HydrophobicContact CD2-CB 4.3Å; L178-K303 HydrophobicContact CD2-CD 3.8Å; L178-K303 HydrophobicContact CD2-CG 3.8Å; L178-M304 HydrophobicContact CD1-CB 4.43Å; L178-M304 HydrophobicContact CD1-CG 4.42Å; L178-I307 HydrophobicContact CD1-CD1 3.97Å; L178-I307 HydrophobicContact CG-CD1 4.22Å
179	T	98.4	Very high	98.5	Very high	68 Å²	68	33.8 Å²	33.8	42%	0.417	21%	0.208	S	C	.	.			trans	-75.2	166.6	179.5	64.1	0	0	0	0	111	E181 D182 M183	T179-E181 PolarHBondContact O-N 3.46Å; T179-E181 PolarHBondContact OG1-N 3.24Å; T179-D182 WeakPolarHBondContact CB-OD2 3.34Å; T179-D182 PolarHBondContact N-OD2 3.39Å; T179-D182 WeakPolarHBondContact O-CB 3.1Å; T179-D182 PolarHBondContact O-N 3.09Å; T179-D182 VanDerWaalsContact O-N 3.12Å; T179-D182 PolarHBondContact OG1-N 2.87Å; T179-D182 VanDerWaalsContact OG1-N 3.07Å; T179-D182 PolarHBondContact OG1-OD2 3.06Å; T179-M183 PolarHBondContact O-N 3.03Å
180	A	98.4	Very high	98.5	Very high	33 Å²	33	35.8 Å²	35.8	27%	0.273	22%	0.217	S	C	.	.	H	α-helix	trans	-56.2	-35.5	170.3	0	0	0	0	0	112.4	V170 M183 V184 L279	V170-A180 HydrophobicContact CG1-CB 4.03Å; V170-A180 HydrophobicContact CG2-CB 3.91Å; A180-M183 WeakPolarHBondContact O-CB 3.49Å; A180-M183 PolarHBondContact O-N 3.36Å; A180-V184 WeakPolarHBondContact O-CG2 3.32Å; A180-V184 PolarHBondContact O-N 3.33Å; A180-L279 HydrophobicContact CB-CD2 3.97Å
181	E	98.4	Very high	98.5	Very high	73 Å²	73	33.7 Å²	33.7	34%	0.341	20%	0.204	S	C	.	.	H	α-helix	trans	-69.6	-43	174.8	-174.5	178.4	-140.9	0	0	111.8	T179 M183 V184 V185 K296	T179-E181 PolarHBondContact O-N 3.46Å; T179-E181 PolarHBondContact OG1-N 3.24Å; E181-M183 PolarHBondContact O-N 3.05Å; E181-V184 PolarHBondContact O-N 3.12Å; E181-V185 HydrophobicContact CG-CG2 4.2Å; E181-V185 WeakPolarHBondContact O-CB 3.44Å; E181-V185 VanDerWaalsContact O-CG2 3.23Å; E181-V185 WeakPolarHBondContact O-CG2 3.42Å; E181-V185 PolarHBondContact O-N 3.31Å; E181-K296 VanDerWaalsContact CD-NZ 3.25Å; E181-K296 WeakPolarHBondContact OE1-CE 3.48Å; E181-K296 IonicContact OE1-NZ 2.84Å; E181-K296 PolarHBondContact OE1-NZ 3.48Å; E181-K296 IonicContact OE2-NZ 2.67Å; E181-K296 PolarHBondContact OE2-NZ 3.43Å
182	D	98.6	Very high	98.5	Very high	23 Å²	23	32.3 Å²	32.3	12%	0.123	19%	0.189	C	C	.	.	H	α-helix	trans	-56.9	-38.8	175.3	-64.9	-56	0	0	0	110.9	L178 T179 V185 L186 K303	L178-D182 HydrophobicContact CB-CB 3.97Å; L178-D182 HydrophobicContact CD2-CB 4.11Å; T179-D182 WeakPolarHBondContact CB-OD2 3.34Å; T179-D182 PolarHBondContact N-OD2 3.39Å; T179-D182 WeakPolarHBondContact O-CB 3.1Å; T179-D182 PolarHBondContact O-N 3.09Å; T179-D182 VanDerWaalsContact O-N 3.12Å; T179-D182 PolarHBondContact OG1-N 2.87Å; T179-D182 VanDerWaalsContact OG1-N 3.07Å; T179-D182 PolarHBondContact OG1-OD2 3.06Å; D182-V185 PolarHBondContact O-N 3.34Å; D182-L186 VanDerWaalsContact O-CB 3.32Å; D182-L186 WeakPolarHBondContact O-CB 3.44Å; D182-L186 VanDerWaalsContact O-CG 3.27Å; D182-L186 WeakPolarHBondContact O-CG 3.14Å; D182-L186 PolarHBondContact O-N 3.21Å; D182-K303 IonicContact OD2-NZ 2.72Å; D182-K303 PolarHBondContact OD2-NZ 3.29Å
183	M	98.7	Very high	98.5	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-59.5	-54.1	174.7	-175.7	-83.7	-69.1	0	0	111.5	L169 V170 F173 T179 A180 E181 V185 L186 S187 L273 L279	L169-M183 HydrophobicContact CB-CE 4.08Å; L169-M183 HydrophobicContact CB-SD 4.22Å; V170-M183 HydrophobicContact CG2-CE 3.78Å; F173-M183 HydrophobicContact CB-CB 3.96Å; F173-M183 HydrophobicContact CB-CG 4.21Å; F173-M183 HydrophobicContact CD1-CB 3.5Å; F173-M183 HydrophobicContact CD1-CG 3.77Å; F173-M183 HydrophobicContact CD2-CB 4.08Å; F173-M183 HydrophobicContact CD2-CG 3.48Å; F173-M183 VanDerWaalsContact CD2-CG 3.48Å; F173-M183 HydrophobicContact CE1-CB 3.96Å; F173-M183 HydrophobicContact CE1-CG 3.94Å; F173-M183 HydrophobicContact CE2-CB 4.47Å; F173-M183 HydrophobicContact CE2-CG 3.65Å; F173-M183 HydrophobicContact CG-CB 3.57Å; F173-M183 HydrophobicContact CG-CG 3.54Å; F173-M183 HydrophobicContact CZ-CB 4.42Å; F173-M183 HydrophobicContact CZ-CG 3.89Å; T179-M183 PolarHBondContact O-N 3.03Å; A180-M183 WeakPolarHBondContact O-CB 3.49Å; A180-M183 PolarHBondContact O-N 3.36Å; E181-M183 PolarHBondContact O-N 3.05Å; M183-V185 VanDerWaalsContact C-N 3.27Å; M183-V185 PolarHBondContact O-N 3.46Å; M183-L186 PolarHBondContact O-N 3.02Å; M183-S187 PolarHBondContact O-N 2.92Å; M183-S187 PolarHBondContact O-OG 3.21Å; M183-L273 HydrophobicContact CE-CD2 3.88Å; M183-L273 HydrophobicContact SD-CD2 3.63Å; M183-L279 HydrophobicContact CE-CD1 3.82Å; M183-L279 HydrophobicContact CE-CD2 4.01Å
184	V	98.8	Very high	98.5	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-59.8	-40	178.4	-178.4	0	0	0	0	111.4	A180 E181 Y257 L273 L279 V283 F286	A180-V184 WeakPolarHBondContact O-CG2 3.32Å; A180-V184 PolarHBondContact O-N 3.33Å; E181-V184 PolarHBondContact O-N 3.12Å; V184-Y257 HydrophobicContact CG1-CE1 4.08Å; V184-Y257 WeakPolarHBondContact O-CE1 3.46Å; V184-Y257 PolarHBondContact O-OH 3.08Å; V184-L273 HydrophobicContact CG1-CD1 4.44Å; V184-L273 HydrophobicContact CG2-CD2 4.29Å; V184-L279 HydrophobicContact CG2-CB 4.04Å; V184-L279 HydrophobicContact CG2-CD2 3.69Å; V184-L279 HydrophobicContact CG2-CG 4.35Å; V184-V283 HydrophobicContact CG1-CG2 3.98Å; V184-F286 HydrophobicContact CB-CE2 4.47Å; V184-F286 HydrophobicContact CG1-CD2 4.19Å; V184-F286 HydrophobicContact CG1-CE2 3.9Å
185	V	98.8	Very high	98.5	Very high	2 Å²	2	28.6 Å²	28.6	1%	0.012	17%	0.171	C	C	.	.	H	α-helix	trans	-62.8	-48.5	177.8	168.1	0	0	0	0	111	E181 D182 M183 G188 Y257 F286 W293 K296 F297 A300	E181-V185 HydrophobicContact CG-CG2 4.2Å; E181-V185 WeakPolarHBondContact O-CB 3.44Å; E181-V185 VanDerWaalsContact O-CG2 3.23Å; E181-V185 WeakPolarHBondContact O-CG2 3.42Å; E181-V185 PolarHBondContact O-N 3.31Å; D182-V185 PolarHBondContact O-N 3.34Å; M183-V185 VanDerWaalsContact C-N 3.27Å; M183-V185 PolarHBondContact O-N 3.46Å; V185-G188 PolarHBondContact O-N 2.87Å; V185-Y257 PolarHBondContact O-OH 3.22Å; V185-F286 HydrophobicContact CB-CE2 4.38Å; V185-F286 HydrophobicContact CG2-CE1 4.44Å; V185-F286 HydrophobicContact CG2-CE2 3.52Å; V185-F286 HydrophobicContact CG2-CZ 3.35Å; V185-W293 PolarHBondContact O-NE1 3.31Å; V185-K296 VanDerWaalsContact CG1-C 3.5Å; V185-K296 HydrophobicContact CG1-CB 4.01Å; V185-K296 HydrophobicContact CG2-CB 3.82Å; V185-K296 HydrophobicContact CG2-CD 4.25Å; V185-F297 HydrophobicContact CG1-CB 4.15Å; V185-F297 HydrophobicContact CG1-CD2 4.4Å; V185-F297 WeakPolarHBondContact O-CD2 3.47Å; V185-A300 HydrophobicContact CB-CB 4.35Å; V185-A300 HydrophobicContact CG1-CB 3.66Å
186	L	98.8	Very high	98.4	Very high	16 Å²	16	24.6 Å²	24.6	8%	0.084	15%	0.148	C	C	.	.	H	α-helix	trans	-72	-29.5	-177.5	-72.9	167.5	0	0	0	112.7	F173 L178 D182 M183 G188 A189 A300 M301 M304	F173-L186 HydrophobicContact CE1-CB 4.28Å; F173-L186 HydrophobicContact CE1-CD1 4Å; L178-L186 HydrophobicContact CD1-CD1 3.83Å; D182-L186 VanDerWaalsContact O-CB 3.32Å; D182-L186 WeakPolarHBondContact O-CB 3.44Å; D182-L186 VanDerWaalsContact O-CG 3.27Å; D182-L186 WeakPolarHBondContact O-CG 3.14Å; D182-L186 PolarHBondContact O-N 3.21Å; M183-L186 PolarHBondContact O-N 3.02Å; L186-G188 PolarHBondContact O-N 3.42Å; L186-G188 VanDerWaalsContact O-N 3.11Å; L186-A189 VanDerWaalsContact O-CB 3.29Å; L186-A189 WeakPolarHBondContact O-CB 3.11Å; L186-A189 PolarHBondContact O-N 3.49Å; L186-A300 HydrophobicContact CD1-CB 4.23Å; L186-A300 HydrophobicContact CD2-CB 3.88Å; L186-A300 HydrophobicContact CG-CB 3.78Å; L186-M301 HydrophobicContact CD2-CG 4.17Å; L186-M301 HydrophobicContact CD2-SD 3.7Å; L186-M304 HydrophobicContact CD1-CB 4.31Å; L186-M304 HydrophobicContact CD1-SD 4.24Å; L186-M304 HydrophobicContact CD2-SD 4.42Å
187	S	98.8	Very high	98.3	Very high	17 Å²	17	24 Å²	24	12%	0.119	15%	0.146	C	C	.	.	H	α-helix	trans	-55.8	-25.4	169.9	-62.2	0	0	0	0	112.7	M183 A189 H190	M183-S187 PolarHBondContact O-N 2.92Å; M183-S187 PolarHBondContact O-OG 3.21Å; S187-A189 PolarHBondContact O-N 2.94Å; S187-H190 WeakPolarHBondContact O-CB 3.38Å; S187-H190 PolarHBondContact O-N 3.4Å
188	G	98.7	Very high	98.2	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	14%	0.135	C	C	.	.	G	3₁₀ helix	trans	-59.4	-14.6	173	0	0	0	0	0	114.5	V185 L186 H190 T191 Y257	V185-G188 PolarHBondContact O-N 2.87Å; L186-G188 PolarHBondContact O-N 3.42Å; L186-G188 VanDerWaalsContact O-N 3.11Å; G188-H190 PolarHBondContact O-N 2.88Å; G188-T191 VanDerWaalsContact O-CB 3.29Å; G188-T191 WeakPolarHBondContact O-CB 3.13Å; G188-T191 WeakPolarHBondContact O-CG2 3.27Å; G188-T191 PolarHBondContact O-N 3.2Å; G188-T191 VanDerWaalsContact O-N 3.08Å; G188-Y257 VanDerWaalsContact CA-OH 3.25Å; G188-Y257 WeakPolarHBondContact CA-OH 3.44Å; G188-Y257 PolarHBondContact N-OH 2.92Å
189	A	98.8	Very high	98	Very high	22 Å²	22	25.2 Å²	25.2	18%	0.182	15%	0.148	C	C	.	.	G	3₁₀ helix	trans	-61.1	-23.1	170.1	0	0	0	0	0	112.7	I61 L186 S187 T191 I192 F297	I61-A189 HydrophobicContact CG2-CB 4.25Å; L186-A189 VanDerWaalsContact O-CB 3.29Å; L186-A189 WeakPolarHBondContact O-CB 3.11Å; L186-A189 PolarHBondContact O-N 3.49Å; S187-A189 PolarHBondContact O-N 2.94Å; A189-T191 PolarHBondContact O-N 3.05Å; A189-T191 VanDerWaalsContact O-N 3.13Å; A189-I192 PolarHBondContact O-N 3.03Å; A189-F297 HydrophobicContact CB-CE2 4.05Å; A189-F297 HydrophobicContact CB-CZ 4.11Å
190	H	98.8	Very high	97.9	Very high	51 Å²	51	22 Å²	22	24%	0.236	13%	0.128	C	C	.	.	G	3₁₀ helix	trans	-66.5	-4.3	172.9	-66.8	171.8	0	0	0	113.8	S187 G188 I192 M244 Y256 F267 D270	S187-H190 WeakPolarHBondContact O-CB 3.38Å; S187-H190 PolarHBondContact O-N 3.4Å; G188-H190 PolarHBondContact O-N 2.88Å; H190-I192 PolarHBondContact O-N 3.09Å; H190-M244 HydrophobicContact CB-CB 4.39Å; H190-M244 HydrophobicContact CB-SD 4.42Å; H190-M244 WeakPolarHBondContact O-CB 3.27Å; H190-Y256 HydrophobicContact CB-CD2 3.64Å; H190-Y256 HydrophobicContact CB-CE2 3.54Å; H190-F267 AromaticContact CE1-CD2 3.67Å; H190-F267 AromaticContact CE1-CE2 3.75Å; H190-F267 AromaticContact ND1-CD2 3.74Å; H190-F267 AromaticContact ND1-CE2 3.88Å; H190-D270 IonicContact CE1-OD1 2.71Å; H190-D270 IonicContact CG-OD1 3.78Å; H190-D270 IonicContact ND1-OD1 2.76Å; H190-D270 PolarHBondContact ND1-OD1 3.08Å; H190-D270 IonicContact ND1-OD2 3.17Å
191	T	98.8	Very high	97.8	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	12%	0.122	C	C	.	.	G	3₁₀ helix	trans	-67.4	-13.5	172.4	-155	0	0	0	0	113.4	G188 A189 D245 L252 D253 Y256 W293	G188-T191 VanDerWaalsContact O-CB 3.29Å; G188-T191 WeakPolarHBondContact O-CB 3.13Å; G188-T191 WeakPolarHBondContact O-CG2 3.27Å; G188-T191 PolarHBondContact O-N 3.2Å; G188-T191 VanDerWaalsContact O-N 3.08Å; A189-T191 PolarHBondContact O-N 3.05Å; A189-T191 VanDerWaalsContact O-N 3.13Å; T191-D245 WeakPolarHBondContact O-CB 3.4Å; T191-L252 HydrophobicContact CG2-CB 4.33Å; T191-L252 HydrophobicContact CG2-CD1 3.72Å; T191-L252 HydrophobicContact CG2-CG 4.17Å; T191-D253 WeakPolarHBondContact CG2-O 3.37Å; T191-D253 PolarHBondContact OG1-O 3.41Å; T191-D253 PolarHBondContact OG1-OD1 3.32Å; T191-Y256 PolarHBondContact OG1-N 3Å; T191-W293 HydrophobicContact CG2-CH2 4.26Å
192	I	98.6	Very high	97.6	Very high	3 Å²	3	20.3 Å²	20.3	2%	0.015	12%	0.121	C	C	.	.	S	Bend	trans	-132.7	152.6	174.5	53.1	168.6	0	0	0	111.8	P58 I61 T133 A189 H190 M244 A251 L252	P58-I192 HydrophobicContact CB-CB 4.48Å; P58-I192 HydrophobicContact CB-CD1 4.11Å; P58-I192 HydrophobicContact CB-CG1 4.07Å; I61-I192 HydrophobicContact CD1-CD1 3.93Å; T133-I192 HydrophobicContact CG2-CD1 4.02Å; A189-I192 PolarHBondContact O-N 3.03Å; H190-I192 PolarHBondContact O-N 3.09Å; I192-M244 WeakPolarHBondContact O-CE 3.32Å; I192-A251 VanDerWaalsContact CG2-O 3.31Å; I192-A251 WeakPolarHBondContact CG2-O 3.48Å; I192-L252 HydrophobicContact CD1-CB 4.27Å; I192-L252 HydrophobicContact CD1-CD1 3.8Å; I192-L252 HydrophobicContact CG1-CD1 3.85Å; I192-L252 HydrophobicContact CG2-CB 4.25Å
193	G	98.2	Very high	97.6	Very high	7 Å²	7	19.2 Å²	19.2	7%	0.072	12%	0.116	C	C	.	.	S	Bend	trans	92.9	-168.6	176	0	0	0	0	0	113.1	M244 P249	G193-M244 PolarHBondContact O-N 2.97Å; G193-P249 PolarHBondContact N-O 2.75Å
194	V	98.3	Very high	97.5	Very high	42 Å²	42	19.2 Å²	19.2	26%	0.255	12%	0.116	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	158.8	-166.9	-54.3	0	0	0	0	111.4	T241 V242	V194-T241 HydrophobicContact CG2-CG2 3.98Å; V194-V242 CarbonylContact C-O 3.17Å; V194-V242 WeakPolarHBondContact CA-O 3.36Å; V194-V242 WeakPolarHBondContact CB-O 3.35Å
195	S	98	Very high	97.4	Very high	7 Å²	7	22.1 Å²	22.1	5%	0.049	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	144.8	170	-174.4	0	0	0	0	111.1	S199 T241 V242 F267	S195-S199 WeakPolarHBondContact OG-CB 3.42Å; S195-T241 CarbonylContact O-C 3.38Å; S195-T241 WeakPolarHBondContact O-CA 3.46Å; S195-T241 WeakPolarHBondContact O-CB 3.29Å; S195-V242 PolarHBondContact N-O 2.73Å; S195-V242 PolarHBondContact O-N 3.22Å; S195-F267 WeakPolarHBondContact OG-CE1 3.25Å; S195-F267 WeakPolarHBondContact OG-CZ 3.19Å
196	H	96.4	Very high	97.3	Very high	35 Å²	35	26 Å²	26	16%	0.162	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	149.3	163.3	-66.5	88.2	0	0	0	110.2	D198 S199 F200 P238	H196-D198 VanDerWaalsContact C-N 3.29Å; H196-D198 WeakPolarHBondContact CB-OD1 3.4Å; H196-D198 PolarHBondContact O-N 3.35Å; H196-S199 WeakPolarHBondContact O-CB 3.29Å; H196-S199 PolarHBondContact O-N 3.07Å; H196-F200 WeakPolarHBondContact O-CD1 3.3Å; H196-F200 WeakPolarHBondContact O-CE1 3.19Å; H196-P238 PolarHBondContact CD2-O 2.92Å
197	C	96.9	Very high	97.1	Very high	2 Å²	2	28.7 Å²	28.7	1%	0.014	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	-57.7	-40.2	-178	-67.6	0	0	0	0	113	S199 F200 T201 C229 T240	C197-S199 PolarHBondContact O-N 3.48Å; C197-S199 VanDerWaalsContact O-N 3.07Å; C197-F200 HydrophobicContact CB-CZ 4.4Å; C197-F200 PolarHBondContact O-N 2.98Å; C197-T201 HydrophobicContact CB-CG2 3.92Å; C197-T201 WeakPolarHBondContact O-CG2 3.43Å; C197-T201 PolarHBondContact O-N 3.2Å; C197-T201 PolarHBondContact O-OG1 2.98Å; C197-C229 HydrophobicContact CB-CB 3.58Å; C197-C229 WeakPolarHBondContact CB-SG 3.2Å; C197-C229 VanDerWaalsContact SG-CA 3.54Å; C197-C229 WeakPolarHBondContact SG-CB 3.25Å; C197-C229 CovalentContact SG-SG 2.03Å; C197-C229 PolarHBondContact SG-SG 2.97Å; C197-T240 PolarHBondContact N-O 3.11Å
198	D	93.6	Very high	96.9	Very high	88 Å²	88	32.1 Å²	32.1	47%	0.471	18%	0.179	S	C	.	.	G	3₁₀ helix	trans	-56.8	-24.2	-178.1	64.2	-14.7	0	0	0	114.2	H196 F200	H196-D198 VanDerWaalsContact C-N 3.29Å; H196-D198 WeakPolarHBondContact CB-OD1 3.4Å; H196-D198 PolarHBondContact O-N 3.35Å; D198-F200 PolarHBondContact O-N 3.26Å
199	S	95.4	Very high	96.6	Very high	40 Å²	40	34.5 Å²	34.5	28%	0.28	20%	0.203	S	C	.	.	G	3₁₀ helix	trans	-74.4	-12.5	180	-59.3	0	0	0	0	113.3	P162 S195 H196 C197	P162-S199 VanDerWaalsContact CG-O 3.29Å; P162-S199 WeakPolarHBondContact CG-O 3.43Å; S195-S199 WeakPolarHBondContact OG-CB 3.42Å; H196-S199 WeakPolarHBondContact O-CB 3.29Å; H196-S199 PolarHBondContact O-N 3.07Å; C197-S199 PolarHBondContact O-N 3.48Å; C197-S199 VanDerWaalsContact O-N 3.07Å
200	F	96.6	Very high	96.4	Very high	2 Å²	2	39.3 Å²	39.3	1%	0.009	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-144.4	-3.7	-179.2	60.6	-94.8	0	0	0	115.1	H196 C197 D198 S202 R203 L204 L225 C229 V242 L266 F267	H196-F200 WeakPolarHBondContact O-CD1 3.3Å; H196-F200 WeakPolarHBondContact O-CE1 3.19Å; C197-F200 HydrophobicContact CB-CZ 4.4Å; C197-F200 PolarHBondContact O-N 2.98Å; D198-F200 PolarHBondContact O-N 3.26Å; F200-S202 PolarHBondContact O-N 2.68Å; F200-S202 VanDerWaalsContact O-N 3.14Å; F200-R203 VanDerWaalsContact O-CB 3.29Å; F200-R203 WeakPolarHBondContact O-CB 3.45Å; F200-R203 PolarHBondContact O-N 3.2Å; F200-L204 HydrophobicContact CD2-CD1 4Å; F200-L204 HydrophobicContact CD2-CG 4.36Å; F200-L204 HydrophobicContact CE2-CD1 3.92Å; F200-L225 HydrophobicContact CE2-CD1 4.44Å; F200-L225 HydrophobicContact CE2-CD2 4.2Å; F200-L225 HydrophobicContact CZ-CD2 4.47Å; F200-C229 HydrophobicContact CE2-CB 4.24Å; F200-C229 HydrophobicContact CZ-CB 4.47Å; F200-C229 WeakPolarHBondContact CZ-SG 3.49Å; F200-V242 HydrophobicContact CE1-CG2 3.49Å; F200-V242 VanDerWaalsContact CE1-CG2 3.49Å; F200-V242 HydrophobicContact CE2-CG2 4.39Å; F200-V242 HydrophobicContact CZ-CB 4.41Å; F200-V242 HydrophobicContact CZ-CG1 4.2Å; F200-V242 HydrophobicContact CZ-CG2 3.32Å; F200-L266 HydrophobicContact CB-CD1 4.45Å; F200-L266 HydrophobicContact CB-CG 4.41Å; F200-L266 HydrophobicContact CD1-CD1 3.75Å; F200-L266 HydrophobicContact CD1-CD2 3.82Å; F200-L266 HydrophobicContact CD1-CG 3.7Å; F200-L266 HydrophobicContact CD2-CD1 3.85Å; F200-L266 HydrophobicContact CE1-CD1 3.85Å; F200-L266 HydrophobicContact CE1-CD2 3.82Å; F200-L266 HydrophobicContact CE1-CG 4.07Å; F200-L266 HydrophobicContact CE2-CD1 3.95Å; F200-L266 HydrophobicContact CG-CD1 3.74Å; F200-L266 HydrophobicContact CG-CG 3.99Å; F200-L266 HydrophobicContact CZ-CD1 3.94Å; F200-F267 HydrophobicContact CB-CD1 4.32Å; F200-F267 HydrophobicContact CD1-CE1 4.33Å
201	T	95.6	Very high	96.1	Very high	24 Å²	24	39.7 Å²	39.7	15%	0.147	25%	0.248	C	C	.	.	H	α-helix	trans	-58.8	-26.8	-179.4	46.1	0	0	0	0	113.7	C197 R203 L204 Y205 C229	C197-T201 HydrophobicContact CB-CG2 3.92Å; C197-T201 WeakPolarHBondContact O-CG2 3.43Å; C197-T201 PolarHBondContact O-N 3.2Å; C197-T201 PolarHBondContact O-OG1 2.98Å; T201-R203 PolarHBondContact O-N 3.11Å; T201-L204 PolarHBondContact O-N 2.83Å; T201-Y205 PolarHBondContact O-N 3.15Å; T201-Y205 VanDerWaalsContact O-N 3.15Å; T201-C229 HydrophobicContact CG2-CB 4.29Å
202	S	95.3	Very high	95.9	Very high	46 Å²	46	41.9 Å²	41.9	32%	0.322	26%	0.26	S	S	.	.	H	α-helix	trans	-55.3	-39	172.1	58	0	0	0	0	111.7	F200 L204 N206 F207	F200-S202 PolarHBondContact O-N 2.68Å; F200-S202 VanDerWaalsContact O-N 3.14Å; S202-L204 PolarHBondContact O-N 2.87Å; S202-N206 CarbonylContact O-C 3.03Å; S202-N206 PolarHBondContact O-N 3.3Å; S202-N206 VanDerWaalsContact O-N 3.08Å; S202-F207 VanDerWaalsContact O-CA 3.26Å; S202-F207 WeakPolarHBondContact O-CA 3.28Å; S202-F207 PolarHBondContact O-N 3.14Å
203	R	97.2	Very high	95.8	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-66.9	-22.5	175.2	-55.8	-174.6	71.2	-151.7	-0.8	113.5	F200 T201 F207 A213 D214 G265 L266 F267 T268 H271	F200-R203 VanDerWaalsContact O-CB 3.29Å; F200-R203 WeakPolarHBondContact O-CB 3.45Å; F200-R203 PolarHBondContact O-N 3.2Å; T201-R203 PolarHBondContact O-N 3.11Å; R203-F207 HydrophobicContact CB-CD2 4.48Å; R203-F207 HydrophobicContact CG-CD2 4.26Å; R203-F207 HydrophobicContact CG-CE2 4.44Å; R203-A213 CarbonylContact O-C 2.92Å; R203-A213 VanDerWaalsContact O-CA 3.31Å; R203-A213 WeakPolarHBondContact O-CA 3.41Å; R203-D214 HydrophobicContact CB-CB 3.91Å; R203-D214 HydrophobicContact CG-CB 4.42Å; R203-D214 IonicContact CZ-OD2 3.1Å; R203-D214 IonicContact NE-OD2 2.69Å; R203-D214 PolarHBondContact NE-OD2 3.23Å; R203-D214 IonicContact NH2-OD2 2.71Å; R203-D214 PolarHBondContact NH2-OD2 2.96Å; R203-D214 PolarHBondContact O-N 2.89Å; R203-G265 PolarHBondContact NH1-O 3.29Å; R203-L266 PolarHBondContact NH1-O 3.36Å; R203-F267 PolarHBondContact NH1-O 3.26Å; R203-T268 WeakPolarHBondContact CD-OG1 3.42Å; R203-T268 WeakPolarHBondContact CG-OG1 3.46Å; R203-H271 PolarHBondContact NH1-CE1 2.88Å; R203-H271 PolarHBondContact NH1-ND1 3.25Å; R203-H271 VanDerWaalsContact NH1-ND1 3.19Å; R203-H271 PolarHBondContact NH2-CE1 3.43Å; R203-H271 VanDerWaalsContact NH2-CG 3.29Å; R203-H271 PolarHBondContact NH2-ND1 3.05Å
204	L	97.5	Very high	95.8	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-93.2	-27.2	-175.3	-58.4	-177.1	0	0	0	113.1	F200 T201 S202 I217 A222 L225 R226 C229	F200-L204 HydrophobicContact CD2-CD1 4Å; F200-L204 HydrophobicContact CD2-CG 4.36Å; F200-L204 HydrophobicContact CE2-CD1 3.92Å; T201-L204 PolarHBondContact O-N 2.83Å; S202-L204 PolarHBondContact O-N 2.87Å; L204-I217 HydrophobicContact CD2-CD1 4.29Å; L204-A222 HydrophobicContact CD2-CB 4.01Å; L204-L225 HydrophobicContact CD1-CB 3.76Å; L204-L225 HydrophobicContact CD2-CB 4.02Å; L204-L225 HydrophobicContact CD2-CD1 4.04Å; L204-R226 HydrophobicContact CB-CG 4.19Å; L204-R226 HydrophobicContact CD1-CG 4.39Å; L204-R226 VanDerWaalsContact O-CZ 3.24Å; L204-R226 PolarHBondContact O-NE 3.41Å; L204-R226 PolarHBondContact O-NH2 3.02Å; L204-C229 HydrophobicContact CD1-CB 4.4Å
205	Y	96.9	Very high	95.7	Very high	61 Å²	61	46.9 Å²	46.9	24%	0.239	29%	0.294	C	S	.	.	H	α-helix	trans	-136.5	-20.6	-166.9	-61	-71.8	0	0	0	115.9	T201 G211 D212 R226 C229 P230	T201-Y205 PolarHBondContact O-N 3.15Å; T201-Y205 VanDerWaalsContact O-N 3.15Å; Y205-G211 CarbonylContact O-C 3.33Å; Y205-G211 VanDerWaalsContact O-CA 3.28Å; Y205-G211 WeakPolarHBondContact O-CA 3.43Å; Y205-D212 CarbonylContact C-O 3.44Å; Y205-D212 PolarHBondContact O-N 3.14Å; Y205-R226 HydrophobicContact CE1-CG 3.84Å; Y205-R226 HydrophobicContact CE2-CG 4.37Å; Y205-R226 WeakPolarHBondContact OH-CA 3.38Å; Y205-R226 WeakPolarHBondContact OH-CB 3.48Å; Y205-R226 WeakPolarHBondContact OH-CG 3.39Å; Y205-R226 PolarHBondContact OH-O 2.87Å; Y205-C229 VanDerWaalsContact CE2-O 3.23Å; Y205-C229 WeakPolarHBondContact CE2-O 3.37Å; Y205-C229 PolarHBondContact OH-O 2.67Å; Y205-P230 WeakPolarHBondContact OH-CA 3.35Å
206	N	95.1	Very high	95.6	Very high	82 Å²	82	48.4 Å²	48.4	44%	0.439	31%	0.307	S	S	.	.			trans	-155.1	52	-176	-161.4	33	0	0	0	111.8	S202 G209 V210 G211 D212	S202-N206 CarbonylContact O-C 3.03Å; S202-N206 PolarHBondContact O-N 3.3Å; S202-N206 VanDerWaalsContact O-N 3.08Å; N206-G209 PolarHBondContact O-N 3.26Å; N206-G209 WeakPolarHBondContact OD1-CA 3.43Å; N206-G209 PolarHBondContact OD1-O 3.05Å; N206-V210 PolarHBondContact OD1-N 2.74Å; N206-V210 VanDerWaalsContact OD1-N 3.14Å; N206-G211 PolarHBondContact OD1-N 3.1Å; N206-D212 PolarHBondContact N-O 2.94Å
207	F	95.6	Very high	95.7	Very high	74 Å²	74	47.3 Å²	47.3	33%	0.325	30%	0.302	S	S	.	.	S	Bend	trans	-66.4	-42.3	-170.3	-177.5	-110.5	0	0	0	112.5	S202 R203 D212 D214	S202-F207 VanDerWaalsContact O-CA 3.26Å; S202-F207 WeakPolarHBondContact O-CA 3.28Å; S202-F207 PolarHBondContact O-N 3.14Å; R203-F207 HydrophobicContact CB-CD2 4.48Å; R203-F207 HydrophobicContact CG-CD2 4.26Å; R203-F207 HydrophobicContact CG-CE2 4.44Å; F207-D212 PolarHBondContact N-O 3.35Å; F207-D212 VanDerWaalsContact N-O 3.11Å; F207-D212 PolarHBondContact N-OD1 3.19Å; F207-D214 HydrophobicContact CB-CB 4.22Å; F207-D214 HydrophobicContact CD1-CB 3.98Å; F207-D214 HydrophobicContact CD2-CB 3.53Å; F207-D214 HydrophobicContact CE1-CB 4.18Å; F207-D214 HydrophobicContact CE2-CB 3.74Å; F207-D214 VanDerWaalsContact CE2-CG 3.43Å; F207-D214 WeakPolarHBondContact CE2-OD2 3Å; F207-D214 HydrophobicContact CG-CB 3.64Å; F207-D214 HydrophobicContact CZ-CB 4.06Å; F207-D214 VanDerWaalsContact CZ-CG 3.42Å
208	T	94	Very high	95.7	Very high	88 Å²	88	49 Å²	49	54%	0.54	31%	0.314	S	S	.	.	S	Bend	trans	-101	1.6	177.7	63.6	0	0	0	0	113.6	V210 D212	T208-V210 VanDerWaalsContact OG1-CG2 3.25Å; T208-V210 WeakPolarHBondContact OG1-CG2 3.47Å; T208-D212 WeakPolarHBondContact CB-OD2 3.07Å; T208-D212 WeakPolarHBondContact CG2-OD2 3.3Å; T208-D212 PolarHBondContact N-OD1 3.32Å; T208-D212 PolarHBondContact OG1-OD1 3.34Å; T208-D212 PolarHBondContact OG1-OD2 3.41Å
209	G	93	Very high	95.9	Very high	50 Å²	50	48.7 Å²	48.7	52%	0.515	32%	0.324	S	S	.	.	S	Bend	trans	90.9	2.2	-178.3	0	0	0	0	0	115.1	N206	N206-G209 PolarHBondContact O-N 3.26Å; N206-G209 WeakPolarHBondContact OD1-CA 3.43Å; N206-G209 PolarHBondContact OD1-O 3.05Å
210	V	93.7	Very high	96	Very high	123 Å²	123	50 Å²	50	75%	0.745	34%	0.337	S	S	*	.	S	Bend	trans	-115.6	16.2	-177.9	-59	0	0	0	0	114.6	N206 T208	N206-V210 PolarHBondContact OD1-N 2.74Å; N206-V210 VanDerWaalsContact OD1-N 3.14Å; T208-V210 VanDerWaalsContact OG1-CG2 3.25Å; T208-V210 WeakPolarHBondContact OG1-CG2 3.47Å
211	G	93.4	Very high	96.1	Very high	60 Å²	60	50.5 Å²	50.5	62%	0.619	34%	0.339	S	S	*	.	S	Bend	trans	84.4	40.3	178.3	0	0	0	0	0	115	Y205 N206	Y205-G211 CarbonylContact O-C 3.33Å; Y205-G211 VanDerWaalsContact O-CA 3.28Å; Y205-G211 WeakPolarHBondContact O-CA 3.43Å; N206-G211 PolarHBondContact OD1-N 3.1Å
212	D	94.8	Very high	96.2	Very high	46 Å²	46	49.5 Å²	49.5	25%	0.246	33%	0.333	C	S	.	.			trans	-120	168.4	-177.1	64.5	-23.3	0	0	0	113.5	Y205 N206 F207 T208	Y205-D212 CarbonylContact C-O 3.44Å; Y205-D212 PolarHBondContact O-N 3.14Å; N206-D212 PolarHBondContact N-O 2.94Å; F207-D212 PolarHBondContact N-O 3.35Å; F207-D212 VanDerWaalsContact N-O 3.11Å; F207-D212 PolarHBondContact N-OD1 3.19Å; T208-D212 WeakPolarHBondContact CB-OD2 3.07Å; T208-D212 WeakPolarHBondContact CG2-OD2 3.3Å; T208-D212 PolarHBondContact N-OD1 3.32Å; T208-D212 PolarHBondContact OG1-OD1 3.34Å; T208-D212 PolarHBondContact OG1-OD2 3.41Å
213	A	96.3	Very high	96.2	Very high	31 Å²	31	54.6 Å²	54.6	26%	0.256	35%	0.35	S	S	.	.			trans	-99.1	151.8	169.2	0	0	0	0	0	110.7	R203 P215	R203-A213 CarbonylContact O-C 2.92Å; R203-A213 VanDerWaalsContact O-CA 3.31Å; R203-A213 WeakPolarHBondContact O-CA 3.41Å; A213-P215 WeakPolarHBondContact O-CD 2.97Å
214	D	97.7	Very high	96.2	Very high	9 Å²	9	59.7 Å²	59.7	5%	0.048	38%	0.377	C	S	.	.			trans	-56.2	117.9	172.7	-177	-10.5	0	0	0	110	R203 F207 A216 I217	R203-D214 HydrophobicContact CB-CB 3.91Å; R203-D214 HydrophobicContact CG-CB 4.42Å; R203-D214 IonicContact CZ-OD2 3.1Å; R203-D214 IonicContact NE-OD2 2.69Å; R203-D214 PolarHBondContact NE-OD2 3.23Å; R203-D214 IonicContact NH2-OD2 2.71Å; R203-D214 PolarHBondContact NH2-OD2 2.96Å; R203-D214 PolarHBondContact O-N 2.89Å; F207-D214 HydrophobicContact CB-CB 4.22Å; F207-D214 HydrophobicContact CD1-CB 3.98Å; F207-D214 HydrophobicContact CD2-CB 3.53Å; F207-D214 HydrophobicContact CE1-CB 4.18Å; F207-D214 HydrophobicContact CE2-CB 3.74Å; F207-D214 VanDerWaalsContact CE2-CG 3.43Å; F207-D214 WeakPolarHBondContact CE2-OD2 3Å; F207-D214 HydrophobicContact CG-CB 3.64Å; F207-D214 HydrophobicContact CZ-CB 4.06Å; F207-D214 VanDerWaalsContact CZ-CG 3.42Å; D214-A216 PolarHBondContact O-N 3.44Å; D214-A216 VanDerWaalsContact O-N 3.17Å; D214-A216 VanDerWaalsContact OD1-CB 3.23Å; D214-A216 WeakPolarHBondContact OD1-CB 3.31Å; D214-A216 PolarHBondContact OD1-N 3.42Å; D214-I217 HydrophobicContact CB-CG2 4.49Å; D214-I217 VanDerWaalsContact O-CG2 3.27Å; D214-I217 WeakPolarHBondContact O-CG2 3.14Å; D214-I217 PolarHBondContact O-N 2.8Å
215	P	97	Very high	96.2	Very high	117 Å²	117	60 Å²	60	76%	0.76	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-15.4	-179.9	28.8	-36.1	0	0	0	113.2	A213	A213-P215 WeakPolarHBondContact O-CD 2.97Å
216	A	96.4	Very high	96.2	Very high	38 Å²	38	62 Å²	62	31%	0.314	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-18.8	178.3	0	0	0	0	0	113.1	D214 N263 H271	D214-A216 PolarHBondContact O-N 3.44Å; D214-A216 VanDerWaalsContact O-N 3.17Å; D214-A216 VanDerWaalsContact OD1-CB 3.23Å; D214-A216 WeakPolarHBondContact OD1-CB 3.31Å; D214-A216 PolarHBondContact OD1-N 3.42Å; A216-N263 VanDerWaalsContact O-CB 3.24Å; A216-N263 WeakPolarHBondContact O-CB 3.41Å; A216-N263 VanDerWaalsContact O-CG 3.28Å; A216-H271 PolarHBondContact O-CD2 3.19Å; A216-H271 PolarHBondContact O-NE2 2.98Å; A216-H271 VanDerWaalsContact O-NE2 3.12Å
217	I	97.5	Very high	96.3	Very high	12 Å²	12	62 Å²	62	6%	0.062	40%	0.397	C	S	.	.	S	Bend	trans	-82	142.8	176.1	-156.2	174.4	0	0	0	110.5	L204 D214 A219 Y221 A222 L225	L204-I217 HydrophobicContact CD2-CD1 4.29Å; D214-I217 HydrophobicContact CB-CG2 4.49Å; D214-I217 VanDerWaalsContact O-CG2 3.27Å; D214-I217 WeakPolarHBondContact O-CG2 3.14Å; D214-I217 PolarHBondContact O-N 2.8Å; I217-A219 PolarHBondContact O-N 3.32Å; I217-Y221 HydrophobicContact CD1-CD1 4.05Å; I217-Y221 HydrophobicContact CD1-CE1 4.48Å; I217-Y221 HydrophobicContact CG1-CD1 4.06Å; I217-A222 HydrophobicContact CD1-CB 4.46Å; I217-A222 HydrophobicContact CG2-CB 3.7Å; I217-L225 HydrophobicContact CD1-CD1 3.85Å
218	S	98	Very high	96.3	Very high	37 Å²	37	62 Å²	62	26%	0.259	40%	0.403	S	S	.	.			trans	-56.1	125.6	171	170.2	0	0	0	0	110.7	A220 Y221 A222 N263	S218-A220 VanDerWaalsContact C-N 3.25Å; S218-A220 PolarHBondContact O-N 3.41Å; S218-Y221 PolarHBondContact O-N 3.2Å; S218-A222 PolarHBondContact O-N 3Å; S218-N263 WeakPolarHBondContact CB-O 3.45Å; S218-N263 PolarHBondContact N-O 3.04Å
219	A	97.4	Very high	96.4	Very high	83 Å²	83	57.8 Å²	57.8	69%	0.686	38%	0.377	S	S	*	.	H	α-helix	trans	-58.7	-37	-178.8	0	0	0	0	0	112.7	I217 F223	I217-A219 PolarHBondContact O-N 3.32Å; A219-F223 WeakPolarHBondContact O-CB 3.39Å; A219-F223 PolarHBondContact O-N 3.21Å
220	A	97.4	Very high	96.5	Very high	66 Å²	66	57.1 Å²	57.1	55%	0.545	36%	0.364	S	S	.	.	H	α-helix	trans	-67	-38.7	175.3	0	0	0	0	0	111.7	S218 F223 L224	S218-A220 VanDerWaalsContact C-N 3.25Å; S218-A220 PolarHBondContact O-N 3.41Å; A220-F223 WeakPolarHBondContact O-CB 3.44Å; A220-F223 PolarHBondContact O-N 2.82Å; A220-L224 WeakPolarHBondContact O-CG 3.29Å; A220-L224 PolarHBondContact O-N 3.28Å; A220-L224 VanDerWaalsContact O-N 3.16Å
221	Y	97.8	Very high	96.5	Very high	13 Å²	13	55.5 Å²	55.5	5%	0.051	36%	0.358	C	S	.	.	H	α-helix	trans	-70.7	-43.9	177.8	-174.1	-139.8	0	0	0	111.9	I217 S218 F223 L224 L225 V246 L264	I217-Y221 HydrophobicContact CD1-CD1 4.05Å; I217-Y221 HydrophobicContact CD1-CE1 4.48Å; I217-Y221 HydrophobicContact CG1-CD1 4.06Å; S218-Y221 PolarHBondContact O-N 3.2Å; Y221-F223 VanDerWaalsContact C-N 3.26Å; Y221-F223 PolarHBondContact O-N 2.67Å; Y221-L224 PolarHBondContact O-N 2.98Å; Y221-L224 VanDerWaalsContact O-N 3.1Å; Y221-L225 HydrophobicContact CD1-CD1 4.06Å; Y221-L225 HydrophobicContact CD2-CD1 4.4Å; Y221-L225 HydrophobicContact CD2-CG 4.17Å; Y221-L225 HydrophobicContact CE1-CD1 3.8Å; Y221-L225 HydrophobicContact CE1-CG 4.44Å; Y221-L225 HydrophobicContact CE2-CD1 4.15Å; Y221-L225 HydrophobicContact CE2-CD2 3.99Å; Y221-L225 HydrophobicContact CE2-CG 3.9Å; Y221-L225 HydrophobicContact CG-CD1 4.35Å; Y221-L225 WeakPolarHBondContact O-CG 3.49Å; Y221-L225 PolarHBondContact O-N 2.91Å; Y221-V246 HydrophobicContact CE2-CB 4.17Å; Y221-V246 HydrophobicContact CE2-CG1 4.39Å; Y221-V246 HydrophobicContact CE2-CG2 4.15Å; Y221-L264 HydrophobicContact CD1-CB 4.24Å; Y221-L264 HydrophobicContact CD1-CD2 3.99Å; Y221-L264 HydrophobicContact CE1-CB 4.38Å; Y221-L264 WeakPolarHBondContact CE1-O 3.25Å; Y221-L264 HydrophobicContact CG-CD2 3.88Å
222	A	97.8	Very high	96.3	Very high	4 Å²	4	55.6 Å²	55.6	3%	0.033	34%	0.344	C	S	.	.	H	α-helix	trans	-57.3	-40	171.6	0	0	0	0	0	112.2	L204 I217 S218 L224 L225 R226	L204-A222 HydrophobicContact CD2-CB 4.01Å; I217-A222 HydrophobicContact CD1-CB 4.46Å; I217-A222 HydrophobicContact CG2-CB 3.7Å; S218-A222 PolarHBondContact O-N 3Å; A222-L224 VanDerWaalsContact C-N 3.35Å; A222-L224 PolarHBondContact O-N 2.73Å; A222-L225 PolarHBondContact O-N 3.18Å; A222-R226 WeakPolarHBondContact O-CB 3.47Å; A222-R226 WeakPolarHBondContact O-CG 3.49Å; A222-R226 PolarHBondContact O-N 3.46Å
223	F	96.9	Very high	96	Very high	152 Å²	152	53.5 Å²	53.5	67%	0.667	33%	0.333	S	S	*	.	H	α-helix	trans	-58.7	-45.4	174.6	178	-92.7	0	0	0	112.1	A219 A220 Y221 R226 A227	A219-F223 WeakPolarHBondContact O-CB 3.39Å; A219-F223 PolarHBondContact O-N 3.21Å; A220-F223 WeakPolarHBondContact O-CB 3.44Å; A220-F223 PolarHBondContact O-N 2.82Å; Y221-F223 VanDerWaalsContact C-N 3.26Å; Y221-F223 PolarHBondContact O-N 2.67Å; F223-R226 PolarHBondContact O-N 3.5Å; F223-A227 PolarHBondContact O-N 3.43Å
224	L	96.6	Very high	95.4	Very high	107 Å²	107	55.6 Å²	55.6	56%	0.56	35%	0.346	S	S	*	.	H	α-helix	trans	-64.8	-44.4	176.2	-66.8	173.9	0	0	0	112.1	A220 Y221 A222 R226 A227	A220-L224 WeakPolarHBondContact O-CG 3.29Å; A220-L224 PolarHBondContact O-N 3.28Å; A220-L224 VanDerWaalsContact O-N 3.16Å; Y221-L224 PolarHBondContact O-N 2.98Å; Y221-L224 VanDerWaalsContact O-N 3.1Å; A222-L224 VanDerWaalsContact C-N 3.35Å; A222-L224 PolarHBondContact O-N 2.73Å; L224-R226 VanDerWaalsContact C-N 3.34Å; L224-R226 PolarHBondContact O-N 3.03Å; L224-A227 WeakPolarHBondContact O-CB 3.42Å; L224-A227 PolarHBondContact O-N 3.5Å; L224-A227 VanDerWaalsContact O-N 3.15Å
225	L	97.7	Very high	94.9	Very high	7 Å²	7	62 Å²	62	4%	0.037	38%	0.376	C	S	.	.	H	α-helix	trans	-62.1	-40.4	178.3	-70.7	173.6	0	0	0	111.9	F200 L204 I217 Y221 A222 A227 V228 C229 V242 L266	F200-L225 HydrophobicContact CE2-CD1 4.44Å; F200-L225 HydrophobicContact CE2-CD2 4.2Å; F200-L225 HydrophobicContact CZ-CD2 4.47Å; L204-L225 HydrophobicContact CD1-CB 3.76Å; L204-L225 HydrophobicContact CD2-CB 4.02Å; L204-L225 HydrophobicContact CD2-CD1 4.04Å; I217-L225 HydrophobicContact CD1-CD1 3.85Å; Y221-L225 HydrophobicContact CD1-CD1 4.06Å; Y221-L225 HydrophobicContact CD2-CD1 4.4Å; Y221-L225 HydrophobicContact CD2-CG 4.17Å; Y221-L225 HydrophobicContact CE1-CD1 3.8Å; Y221-L225 HydrophobicContact CE1-CG 4.44Å; Y221-L225 HydrophobicContact CE2-CD1 4.15Å; Y221-L225 HydrophobicContact CE2-CD2 3.99Å; Y221-L225 HydrophobicContact CE2-CG 3.9Å; Y221-L225 HydrophobicContact CG-CD1 4.35Å; Y221-L225 WeakPolarHBondContact O-CG 3.49Å; Y221-L225 PolarHBondContact O-N 2.91Å; A222-L225 PolarHBondContact O-N 3.18Å; L225-A227 PolarHBondContact O-N 3.48Å; L225-V228 PolarHBondContact O-N 3.03Å; L225-V228 VanDerWaalsContact O-N 3.08Å; L225-C229 WeakPolarHBondContact O-CB 3.24Å; L225-C229 PolarHBondContact O-N 3.43Å; L225-V242 HydrophobicContact CD2-CB 4.44Å; L225-V242 HydrophobicContact CD2-CG1 4.29Å; L225-V242 HydrophobicContact CD2-CG2 4.19Å; L225-L266 HydrophobicContact CD1-CD1 3.89Å; L225-L266 HydrophobicContact CD2-CD1 3.99Å
226	R	96.9	Very high	94.6	Very high	102 Å²	102	62 Å²	62	39%	0.385	36%	0.364	S	S	.	.	H	α-helix	trans	-62.3	-25.3	176.6	-73.7	176.9	171.3	173.2	-2.6	113.4	L204 Y205 A222 F223 L224 V228	L204-R226 HydrophobicContact CB-CG 4.19Å; L204-R226 HydrophobicContact CD1-CG 4.39Å; L204-R226 VanDerWaalsContact O-CZ 3.24Å; L204-R226 PolarHBondContact O-NE 3.41Å; L204-R226 PolarHBondContact O-NH2 3.02Å; Y205-R226 HydrophobicContact CE1-CG 3.84Å; Y205-R226 HydrophobicContact CE2-CG 4.37Å; Y205-R226 WeakPolarHBondContact OH-CA 3.38Å; Y205-R226 WeakPolarHBondContact OH-CB 3.48Å; Y205-R226 WeakPolarHBondContact OH-CG 3.39Å; Y205-R226 PolarHBondContact OH-O 2.87Å; A222-R226 WeakPolarHBondContact O-CB 3.47Å; A222-R226 WeakPolarHBondContact O-CG 3.49Å; A222-R226 PolarHBondContact O-N 3.46Å; F223-R226 PolarHBondContact O-N 3.5Å; L224-R226 VanDerWaalsContact C-N 3.34Å; L224-R226 PolarHBondContact O-N 3.03Å; R226-V228 VanDerWaalsContact C-N 3.33Å
227	A	95.7	Very high	94.2	Very high	84 Å²	84	65.1 Å²	65.1	69%	0.694	37%	0.371	S	S	*	.	H	α-helix	trans	-73.4	-27	176	0	0	0	0	0	112.6	F223 L224 L225	F223-A227 PolarHBondContact O-N 3.43Å; L224-A227 WeakPolarHBondContact O-CB 3.42Å; L224-A227 PolarHBondContact O-N 3.5Å; L224-A227 VanDerWaalsContact O-N 3.15Å; L225-A227 PolarHBondContact O-N 3.48Å
228	V	96	Very high	93.7	Very high	72 Å²	72	68 Å²	68	44%	0.436	39%	0.39	S	S	.	.	H	α-helix	trans	-97.3	-37.4	179.4	-177	0	0	0	0	111.6	L225 R226 P230 T240 V242	L225-V228 PolarHBondContact O-N 3.03Å; L225-V228 VanDerWaalsContact O-N 3.08Å; R226-V228 VanDerWaalsContact C-N 3.33Å; V228-P230 VanDerWaalsContact O-CD 3.27Å; V228-P230 WeakPolarHBondContact O-CD 3.38Å; V228-T240 HydrophobicContact CG1-CG2 3.72Å; V228-V242 HydrophobicContact CB-CG1 4.26Å; V228-V242 HydrophobicContact CG1-CG1 3.79Å
229	C	97	Very high	93.4	Very high	0 Å²	0	72 Å²	72	0%	0	41%	0.408	C	S	.	.	S	Bend	trans	-116.8	81.3	-175.3	-66.5	0	0	0	0	110.4	C197 F200 T201 L204 Y205 L225 S233	C197-C229 HydrophobicContact CB-CB 3.58Å; C197-C229 WeakPolarHBondContact CB-SG 3.2Å; C197-C229 VanDerWaalsContact SG-CA 3.54Å; C197-C229 WeakPolarHBondContact SG-CB 3.25Å; C197-C229 CovalentContact SG-SG 2.03Å; C197-C229 PolarHBondContact SG-SG 2.97Å; F200-C229 HydrophobicContact CE2-CB 4.24Å; F200-C229 HydrophobicContact CZ-CB 4.47Å; F200-C229 WeakPolarHBondContact CZ-SG 3.49Å; T201-C229 HydrophobicContact CG2-CB 4.29Å; L204-C229 HydrophobicContact CD1-CB 4.4Å; Y205-C229 VanDerWaalsContact CE2-O 3.23Å; Y205-C229 WeakPolarHBondContact CE2-O 3.37Å; Y205-C229 PolarHBondContact OH-O 2.67Å; L225-C229 WeakPolarHBondContact O-CB 3.24Å; L225-C229 PolarHBondContact O-N 3.43Å; C229-S233 VanDerWaalsContact CA-OG 3.27Å; C229-S233 WeakPolarHBondContact CA-OG 3.5Å
230	P	94.2	Very high	93.3	Very high	36 Å²	36	70 Å²	70	23%	0.234	39%	0.388	C	S	.	.			trans	-61.1	163	174.6	28	-36.6	0	0	0	111.9	Y205 V228 N232 S233 F237	Y205-P230 WeakPolarHBondContact OH-CA 3.35Å; V228-P230 VanDerWaalsContact O-CD 3.27Å; V228-P230 WeakPolarHBondContact O-CD 3.38Å; P230-N232 WeakPolarHBondContact CB-OD1 3.37Å; P230-N232 WeakPolarHBondContact CG-OD1 3.5Å; P230-N232 PolarHBondContact O-N 2.79Å; P230-S233 VanDerWaalsContact CD-OG 3.3Å; P230-S233 WeakPolarHBondContact CD-OG 3.3Å; P230-S233 WeakPolarHBondContact O-CB 3.38Å; P230-S233 PolarHBondContact O-N 3.18Å; P230-S233 PolarHBondContact O-OG 3.04Å; P230-F237 HydrophobicContact CG-CD2 3.72Å; P230-F237 HydrophobicContact CG-CE2 3.87Å
231	S	93.1	Very high	93.3	Very high	90 Å²	90	69.5 Å²	69.5	63%	0.629	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-19.4	-178.4	56.9	0	0	0	0	114.2
232	N	90.4	Very high	93.3	Very high	61 Å²	61	69.8 Å²	69.8	33%	0.326	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103	19.6	177.3	64.7	-1.6	0	0	0	113.4	P230 S234 Q235 F236	P230-N232 WeakPolarHBondContact CB-OD1 3.37Å; P230-N232 WeakPolarHBondContact CG-OD1 3.5Å; P230-N232 PolarHBondContact O-N 2.79Å; N232-S234 VanDerWaalsContact C-N 3.29Å; N232-S234 PolarHBondContact O-N 3.26Å; N232-Q235 PolarHBondContact O-N 3.3Å; N232-F236 HydrophobicContact CB-CD2 3.81Å; N232-F236 HydrophobicContact CB-CE2 4.13Å; N232-F236 WeakPolarHBondContact ND2-CD2 3.42Å; N232-F236 WeakPolarHBondContact ND2-CE2 3.28Å; N232-F236 PolarHBondContact O-N 3.34Å; N232-F236 VanDerWaalsContact O-N 3.13Å
233	S	87.5	Confident	93.3	Very high	2 Å²	2	73.2 Å²	73.2	1%	0.014	40%	0.399	C	S	.	.	H	α-helix	trans	-48.7	-46.5	179.5	-81.1	0	0	0	0	113.1	C229 P230 Q235 F237	C229-S233 VanDerWaalsContact CA-OG 3.27Å; C229-S233 WeakPolarHBondContact CA-OG 3.5Å; P230-S233 VanDerWaalsContact CD-OG 3.3Å; P230-S233 WeakPolarHBondContact CD-OG 3.3Å; P230-S233 WeakPolarHBondContact O-CB 3.38Å; P230-S233 PolarHBondContact O-N 3.18Å; P230-S233 PolarHBondContact O-OG 3.04Å; S233-Q235 PolarHBondContact O-N 2.9Å; S233-Q235 VanDerWaalsContact O-N 3.16Å; S233-F237 CarbonylContact O-C 3.58Å; S233-F237 VanDerWaalsContact O-CA 3.25Å; S233-F237 WeakPolarHBondContact O-CA 3.37Å; S233-F237 PolarHBondContact O-N 2.88Å
234	S	83.5	Confident	93.4	Very high	76 Å²	76	67 Å²	67	53%	0.531	37%	0.373	S	S	.	.	H	α-helix	trans	-63.2	-24	-178.7	-50.7	0	0	0	0	113.6	N232	N232-S234 VanDerWaalsContact C-N 3.29Å; N232-S234 PolarHBondContact O-N 3.26Å
235	Q	88.9	Confident	93.4	Very high	143 Å²	143	62.1 Å²	62.1	67%	0.668	35%	0.347	S	S	*	.	H	α-helix	trans	-90.3	-44.3	-178.3	-176.2	178.5	4.4	0	0	112.6	N232 S233	N232-Q235 PolarHBondContact O-N 3.3Å; S233-Q235 PolarHBondContact O-N 2.9Å; S233-Q235 VanDerWaalsContact O-N 3.16Å
236	F	89.5	Confident	93.4	Very high	118 Å²	118	65.3 Å²	65.3	52%	0.518	37%	0.366	S	S	.	.	H	α-helix	trans	-110.5	-20.2	-171.1	-63.8	-74	0	0	0	114	N232	N232-F236 HydrophobicContact CB-CD2 3.81Å; N232-F236 HydrophobicContact CB-CE2 4.13Å; N232-F236 WeakPolarHBondContact ND2-CD2 3.42Å; N232-F236 WeakPolarHBondContact ND2-CE2 3.28Å; N232-F236 PolarHBondContact O-N 3.34Å; N232-F236 VanDerWaalsContact O-N 3.13Å
237	F	88.6	Confident	93.5	Very high	102 Å²	102	63.7 Å²	63.7	45%	0.447	37%	0.365	S	S	.	.			trans	-137.9	49.1	-174.1	-51.2	-72.9	0	0	0	112	P230 S233 N239 T240	P230-F237 HydrophobicContact CG-CD2 3.72Å; P230-F237 HydrophobicContact CG-CE2 3.87Å; S233-F237 CarbonylContact O-C 3.58Å; S233-F237 VanDerWaalsContact O-CA 3.25Å; S233-F237 WeakPolarHBondContact O-CA 3.37Å; S233-F237 PolarHBondContact O-N 2.88Å; F237-N239 PolarHBondContact O-N 2.98Å; F237-N239 VanDerWaalsContact O-N 3.09Å; F237-T240 WeakPolarHBondContact CB-OG1 3.28Å; F237-T240 WeakPolarHBondContact O-CB 3.36Å; F237-T240 PolarHBondContact O-N 3.05Å
238	P	87.1	Confident	93.6	Very high	72 Å²	72	61.7 Å²	61.7	47%	0.468	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-23	-169.1	26.5	-36.2	0	0	0	113.5	H196	H196-P238 PolarHBondContact CD2-O 2.92Å
239	N	91.1	Very high	93.6	Very high	121 Å²	121	60.5 Å²	60.5	65%	0.647	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.5	4.5	-179.3	-61.1	-28.9	0	0	0	113.3	F237 T241	F237-N239 PolarHBondContact O-N 2.98Å; F237-N239 VanDerWaalsContact O-N 3.09Å; N239-T241 PolarHBondContact O-N 3.3Å
240	T	95.3	Very high	93.6	Very high	41 Å²	41	64 Å²	64	25%	0.252	37%	0.367	S	S	.	.			trans	-70.1	129.3	176	-66.4	0	0	0	0	109.4	C197 V228 F237	C197-T240 PolarHBondContact N-O 3.11Å; V228-T240 HydrophobicContact CG1-CG2 3.72Å; F237-T240 WeakPolarHBondContact CB-OG1 3.28Å; F237-T240 WeakPolarHBondContact O-CB 3.36Å; F237-T240 PolarHBondContact O-N 3.05Å
241	T	96.8	Very high	93.8	Very high	56 Å²	56	63.9 Å²	63.9	34%	0.344	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	154.8	179.7	59.9	0	0	0	0	111.1	V194 S195 N239	V194-T241 HydrophobicContact CG2-CG2 3.98Å; S195-T241 CarbonylContact O-C 3.38Å; S195-T241 WeakPolarHBondContact O-CA 3.46Å; S195-T241 WeakPolarHBondContact O-CB 3.29Å; N239-T241 PolarHBondContact O-N 3.3Å
242	V	97.7	Very high	94.1	Very high	19 Å²	19	59.7 Å²	59.7	12%	0.115	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	152.6	172.2	-58.3	0	0	0	0	109.3	V194 S195 F200 L225 V228 L266	V194-V242 CarbonylContact C-O 3.17Å; V194-V242 WeakPolarHBondContact CA-O 3.36Å; V194-V242 WeakPolarHBondContact CB-O 3.35Å; S195-V242 PolarHBondContact N-O 2.73Å; S195-V242 PolarHBondContact O-N 3.22Å; F200-V242 HydrophobicContact CE1-CG2 3.49Å; F200-V242 VanDerWaalsContact CE1-CG2 3.49Å; F200-V242 HydrophobicContact CE2-CG2 4.39Å; F200-V242 HydrophobicContact CZ-CB 4.41Å; F200-V242 HydrophobicContact CZ-CG1 4.2Å; F200-V242 HydrophobicContact CZ-CG2 3.32Å; L225-V242 HydrophobicContact CD2-CB 4.44Å; L225-V242 HydrophobicContact CD2-CG1 4.29Å; L225-V242 HydrophobicContact CD2-CG2 4.19Å; V228-V242 HydrophobicContact CB-CG1 4.26Å; V228-V242 HydrophobicContact CG1-CG1 3.79Å; V242-L266 HydrophobicContact CG2-CD1 4.01Å; V242-L266 HydrophobicContact CG2-CD2 3.68Å
243	D	98.3	Very high	94.5	Very high	76 Å²	76	57.6 Å²	57.6	41%	0.406	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	136.7	173.1	-63.1	-49.9	0	0	0	110.9	D245 P249	D243-D245 VanDerWaalsContact C-N 3.35Å; D243-P249 HydrophobicContact CB-CB 3.66Å
244	M	98.4	Very high	95	Very high	23 Å²	23	58 Å²	58	11%	0.113	33%	0.33	C	S	.	.	S	Bend	trans	-72.5	-30.3	178.7	-67.9	-171.8	-65.1	0	0	112.5	H190 I192 G193 L266 F267	H190-M244 HydrophobicContact CB-CB 4.39Å; H190-M244 HydrophobicContact CB-SD 4.42Å; H190-M244 WeakPolarHBondContact O-CB 3.27Å; I192-M244 WeakPolarHBondContact O-CE 3.32Å; G193-M244 PolarHBondContact O-N 2.97Å; M244-L266 HydrophobicContact CG-CD2 4.17Å; M244-F267 HydrophobicContact CG-CE2 4.16Å; M244-F267 HydrophobicContact CG-CZ 4.19Å; M244-F267 HydrophobicContact SD-CE2 3.65Å; M244-F267 HydrophobicContact SD-CZ 3.85Å
245	D	98.5	Very high	95.7	Very high	4 Å²	4	57.8 Å²	57.8	2%	0.021	32%	0.32	C	S	.	.			trans	-114.1	117.4	168.6	173	29.5	0	0	0	110.3	T191 D243 I247 T248 P249	T191-D245 WeakPolarHBondContact O-CB 3.4Å; D243-D245 VanDerWaalsContact C-N 3.35Å; D245-I247 VanDerWaalsContact C-N 3.28Å; D245-I247 PolarHBondContact O-N 3.08Å; D245-I247 WeakPolarHBondContact OD1-CB 3.3Å; D245-I247 PolarHBondContact OD1-N 3.41Å; D245-T248 PolarHBondContact OD2-N 3.48Å; D245-T248 PolarHBondContact OD2-OG1 3.33Å; D245-P249 WeakPolarHBondContact O-CA 3.41Å; D245-P249 WeakPolarHBondContact O-CB 3.23Å
246	V	97.1	Very high	96.2	Very high	73 Å²	73	51.2 Å²	51.2	44%	0.442	29%	0.289	S	S	.	.	S	Bend	trans	-77.7	-12.5	179.1	70.2	0	0	0	0	113	Y221 L264	Y221-V246 HydrophobicContact CE2-CB 4.17Å; Y221-V246 HydrophobicContact CE2-CG1 4.39Å; Y221-V246 HydrophobicContact CE2-CG2 4.15Å; V246-L264 HydrophobicContact CG1-CB 4.4Å; V246-L264 HydrophobicContact CG1-CD1 4.19Å
247	I	98.3	Very high	96.6	Very high	69 Å²	69	45.6 Å²	45.6	35%	0.354	26%	0.264	S	S	.	.	S	Bend	trans	-88.1	-51.4	-175.4	-56.4	174.2	0	0	0	110.6	D245 K255 V258	D245-I247 VanDerWaalsContact C-N 3.28Å; D245-I247 PolarHBondContact O-N 3.08Å; D245-I247 WeakPolarHBondContact OD1-CB 3.3Å; D245-I247 PolarHBondContact OD1-N 3.41Å; I247-K255 HydrophobicContact CB-CB 3.91Å; I247-K255 HydrophobicContact CB-CG 4.38Å; I247-K255 HydrophobicContact CD1-CB 4.28Å; I247-K255 HydrophobicContact CG2-CB 3.9Å; I247-K255 HydrophobicContact CG2-CD 4.04Å; I247-K255 HydrophobicContact CG2-CG 3.82Å; I247-V258 HydrophobicContact CD1-CB 4.12Å; I247-V258 HydrophobicContact CD1-CG1 4.01Å
248	T	98.2	Very high	97.1	Very high	41 Å²	41	42.4 Å²	42.4	25%	0.252	25%	0.253	S	S	.	.			trans	-142.8	69.1	-176.1	38.6	0	0	0	0	111.7	D245 A250 A251 D253 K255	D245-T248 PolarHBondContact OD2-N 3.48Å; D245-T248 PolarHBondContact OD2-OG1 3.33Å; T248-A250 PolarHBondContact O-N 3.36Å; T248-A251 PolarHBondContact O-N 2.78Å; T248-D253 PolarHBondContact OG1-OD1 3.04Å; T248-D253 PolarHBondContact OG1-OD2 2.99Å; T248-K255 HydrophobicContact CG2-CG 4.17Å; T248-K255 WeakPolarHBondContact OG1-CB 3.48Å; T248-K255 WeakPolarHBondContact OG1-CG 3.4Å
249	P	97	Very high	97.7	Very high	47 Å²	47	39.1 Å²	39.1	31%	0.305	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-15.8	-165.9	24.4	-37	0	0	0	116.2	G193 D243 D245	G193-P249 PolarHBondContact N-O 2.75Å; D243-P249 HydrophobicContact CB-CB 3.66Å; D245-P249 WeakPolarHBondContact O-CA 3.41Å; D245-P249 WeakPolarHBondContact O-CB 3.23Å
250	A	96.4	Very high	98	Very high	74 Å²	74	33.4 Å²	33.4	61%	0.612	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-111	-3.4	-176.9	0	0	0	0	0	114.3	T248	T248-A250 PolarHBondContact O-N 3.36Å
251	A	98.4	Very high	98.2	Very high	34 Å²	34	33.3 Å²	33.3	28%	0.281	21%	0.205	S	C	.	.			trans	-111.5	125.9	-176.4	0	0	0	0	0	111.2	I192 T248 D253	I192-A251 VanDerWaalsContact CG2-O 3.31Å; I192-A251 WeakPolarHBondContact CG2-O 3.48Å; T248-A251 PolarHBondContact O-N 2.78Å; A251-D253 VanDerWaalsContact C-N 3.31Å; A251-D253 PolarHBondContact O-N 2.96Å
252	L	98.7	Very high	98.2	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.005	21%	0.214	C	C	.	.			trans	-78.3	84.6	173.1	-172.8	89.8	0	0	0	109.4	V130 T133 G134 T191 I192 W293 K294 F297	V130-L252 HydrophobicContact CB-CD2 4.11Å; V130-L252 HydrophobicContact CG1-CD2 3.64Å; V130-L252 HydrophobicContact CG2-CD2 4.07Å; T133-L252 PolarHBondContact O-N 2.92Å; T133-L252 WeakPolarHBondContact OG1-CB 3.34Å; G134-L252 VanDerWaalsContact CA-O 3.31Å; G134-L252 WeakPolarHBondContact CA-O 3.34Å; T191-L252 HydrophobicContact CG2-CB 4.33Å; T191-L252 HydrophobicContact CG2-CD1 3.72Å; T191-L252 HydrophobicContact CG2-CG 4.17Å; I192-L252 HydrophobicContact CD1-CB 4.27Å; I192-L252 HydrophobicContact CD1-CD1 3.8Å; I192-L252 HydrophobicContact CG1-CD1 3.85Å; I192-L252 HydrophobicContact CG2-CB 4.25Å; L252-W293 HydrophobicContact CD1-CH2 4.34Å; L252-W293 HydrophobicContact CG-CH2 3.99Å; L252-K294 WeakPolarHBondContact O-CE 3.23Å; L252-K294 PolarHBondContact O-NZ 2.82Å; L252-F297 HydrophobicContact CD1-CZ 4.39Å; L252-F297 HydrophobicContact CD2-CD1 4.42Å; L252-F297 HydrophobicContact CD2-CE1 3.97Å
253	D	98.7	Very high	98.2	Very high	17 Å²	17	37.9 Å²	37.9	9%	0.091	23%	0.227	C	C	.	.	S	Bend	trans	-132.8	-168.9	-177	69.4	21.3	0	0	0	112.2	T191 T248 A251 K255 W293	T191-D253 WeakPolarHBondContact CG2-O 3.37Å; T191-D253 PolarHBondContact OG1-O 3.41Å; T191-D253 PolarHBondContact OG1-OD1 3.32Å; T248-D253 PolarHBondContact OG1-OD1 3.04Å; T248-D253 PolarHBondContact OG1-OD2 2.99Å; A251-D253 VanDerWaalsContact C-N 3.31Å; A251-D253 PolarHBondContact O-N 2.96Å; D253-K255 VanDerWaalsContact C-N 3.34Å; D253-K255 VanDerWaalsContact OD1-CB 3.25Å; D253-K255 WeakPolarHBondContact OD1-CB 3.49Å; D253-K255 VanDerWaalsContact OD1-CG 3.25Å; D253-K255 WeakPolarHBondContact OD1-CG 3.3Å; D253-K255 PolarHBondContact OD1-N 2.93Å; D253-W293 WeakPolarHBondContact O-CH2 3.33Å; D253-W293 WeakPolarHBondContact O-CZ3 3.35Å
254	N	98.5	Very high	98.3	Very high	10 Å²	10	36.2 Å²	36.2	5%	0.053	22%	0.217	C	C	.	.	S	Bend	trans	-89.9	8	-177.7	76.9	-25.3	0	0	0	114.1	Y256 Y257 V258 F286 V287 E290 W293	N254-Y256 VanDerWaalsContact C-N 3.25Å; N254-Y256 PolarHBondContact O-N 2.81Å; N254-Y257 HydrophobicContact CB-CD2 4.23Å; N254-Y257 PolarHBondContact O-N 3.25Å; N254-V258 PolarHBondContact O-N 3.27Å; N254-F286 PolarHBondContact ND2-O 3.42Å; N254-V287 PolarHBondContact ND2-O 3.08Å; N254-E290 HydrophobicContact CB-CB 4Å; N254-E290 HydrophobicContact CB-CG 4.04Å; N254-W293 HydrophobicContact CB-CE3 4.25Å
255	K	98.7	Very high	98.2	Very high	73 Å²	73	35.3 Å²	35.3	32%	0.317	21%	0.214	S	C	.	.	H	α-helix	trans	-68.8	-24.4	-175	-63.4	-51.5	-179	-169.1	0	113.2	I247 T248 D253 Y257 V258 G259	I247-K255 HydrophobicContact CB-CB 3.91Å; I247-K255 HydrophobicContact CB-CG 4.38Å; I247-K255 HydrophobicContact CD1-CB 4.28Å; I247-K255 HydrophobicContact CG2-CB 3.9Å; I247-K255 HydrophobicContact CG2-CD 4.04Å; I247-K255 HydrophobicContact CG2-CG 3.82Å; T248-K255 HydrophobicContact CG2-CG 4.17Å; T248-K255 WeakPolarHBondContact OG1-CB 3.48Å; T248-K255 WeakPolarHBondContact OG1-CG 3.4Å; D253-K255 VanDerWaalsContact C-N 3.34Å; D253-K255 VanDerWaalsContact OD1-CB 3.25Å; D253-K255 WeakPolarHBondContact OD1-CB 3.49Å; D253-K255 VanDerWaalsContact OD1-CG 3.25Å; D253-K255 WeakPolarHBondContact OD1-CG 3.3Å; D253-K255 PolarHBondContact OD1-N 2.93Å; K255-Y257 VanDerWaalsContact C-N 3.28Å; K255-Y257 PolarHBondContact O-N 2.65Å; K255-V258 HydrophobicContact CD-CB 4.45Å; K255-V258 HydrophobicContact CD-CG2 4.1Å; K255-V258 CarbonylContact O-C 3.53Å; K255-V258 WeakPolarHBondContact O-CB 3.35Å; K255-V258 PolarHBondContact O-N 3.44Å; K255-V258 VanDerWaalsContact O-N 3.08Å; K255-G259 PolarHBondContact O-N 2.67Å
256	Y	98.8	Very high	98.2	Very high	5 Å²	5	35.1 Å²	35.1	2%	0.02	21%	0.213	C	C	.	.	H	α-helix	trans	-45.6	-51.8	162.7	169.1	-102.8	0	0	0	112.6	H190 T191 N254 V258 G259 V260 D270 L273	H190-Y256 HydrophobicContact CB-CD2 3.64Å; H190-Y256 HydrophobicContact CB-CE2 3.54Å; T191-Y256 PolarHBondContact OG1-N 3Å; N254-Y256 VanDerWaalsContact C-N 3.25Å; N254-Y256 PolarHBondContact O-N 2.81Å; Y256-V258 VanDerWaalsContact C-N 3.34Å; Y256-V258 PolarHBondContact O-N 3.18Å; Y256-G259 PolarHBondContact O-N 2.87Å; Y256-V260 HydrophobicContact CD1-CG2 4.47Å; Y256-V260 HydrophobicContact CD2-CG2 4.19Å; Y256-V260 HydrophobicContact CE1-CG2 4.07Å; Y256-V260 HydrophobicContact CE2-CG2 3.75Å; Y256-V260 WeakPolarHBondContact O-CG2 3.43Å; Y256-V260 PolarHBondContact O-N 2.68Å; Y256-D270 HydrophobicContact CE2-CB 4.25Å; Y256-D270 VanDerWaalsContact CE2-OD1 3.31Å; Y256-D270 WeakPolarHBondContact CE2-OD1 3.47Å; Y256-D270 PolarHBondContact OH-OD1 3.28Å; Y256-L273 HydrophobicContact CE1-CD1 4.07Å; Y256-L273 VanDerWaalsContact OH-CD1 3.3Å; Y256-L273 WeakPolarHBondContact OH-CD1 3.44Å
257	Y	98.9	Very high	98.3	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-69.5	-33.4	-178.6	-58	-75.1	0	0	0	112.4	V184 V185 G188 N254 K255 G259 A261 V283 F286 V287 W293	V184-Y257 HydrophobicContact CG1-CE1 4.08Å; V184-Y257 WeakPolarHBondContact O-CE1 3.46Å; V184-Y257 PolarHBondContact O-OH 3.08Å; V185-Y257 PolarHBondContact O-OH 3.22Å; G188-Y257 VanDerWaalsContact CA-OH 3.25Å; G188-Y257 WeakPolarHBondContact CA-OH 3.44Å; G188-Y257 PolarHBondContact N-OH 2.92Å; N254-Y257 HydrophobicContact CB-CD2 4.23Å; N254-Y257 PolarHBondContact O-N 3.25Å; K255-Y257 VanDerWaalsContact C-N 3.28Å; K255-Y257 PolarHBondContact O-N 2.65Å; Y257-G259 VanDerWaalsContact C-N 3.35Å; Y257-A261 VanDerWaalsContact O-CB 3.3Å; Y257-A261 WeakPolarHBondContact O-CB 3.18Å; Y257-A261 PolarHBondContact O-N 2.76Å; Y257-V283 HydrophobicContact CD1-CG1 4.31Å; Y257-V283 HydrophobicContact CD1-CG2 4.35Å; Y257-F286 HydrophobicContact CD1-CB 4.13Å; Y257-F286 HydrophobicContact CD1-CD2 4.13Å; Y257-F286 HydrophobicContact CD2-CB 3.62Å; Y257-F286 HydrophobicContact CD2-CD2 4.46Å; Y257-F286 HydrophobicContact CD2-CG 4.49Å; Y257-F286 HydrophobicContact CE1-CB 4.37Å; Y257-F286 AromaticContact CE1-CD2 3.63Å; Y257-F286 HydrophobicContact CE1-CD2 3.63Å; Y257-F286 HydrophobicContact CE1-CE2 4.48Å; Y257-F286 HydrophobicContact CE1-CG 4.49Å; Y257-F286 HydrophobicContact CE2-CB 3.9Å; Y257-F286 HydrophobicContact CE2-CD2 4.01Å; Y257-F286 HydrophobicContact CE2-CG 4.31Å; Y257-F286 HydrophobicContact CG-CB 3.73Å; Y257-F286 AromaticContact CZ-CD2 3.54Å; Y257-V287 WeakPolarHBondContact O-CG2 3.16Å; Y257-W293 HydrophobicContact CD2-CG 4.45Å; Y257-W293 AromaticContact CE2-CD1 3.28Å; Y257-W293 AromaticContact CE2-CD2 3.9Å; Y257-W293 HydrophobicContact CE2-CD2 3.9Å; Y257-W293 AromaticContact CE2-CE2 3.64Å; Y257-W293 AromaticContact CE2-CG 3.68Å; Y257-W293 HydrophobicContact CE2-CG 3.68Å; Y257-W293 HydrophobicContact CE2-CZ2 4.36Å; Y257-W293 AromaticContact CE2-NE1 3.27Å; Y257-W293 VanDerWaalsContact CE2-NE1 3.27Å; Y257-W293 AromaticContact CZ-CD1 3.58Å; Y257-W293 AromaticContact CZ-NE1 3.48Å; Y257-W293 VanDerWaalsContact OH-CD1 3.23Å; Y257-W293 PolarHBondContact OH-NE1 3.17Å
258	V	98.7	Very high	98.3	Very high	35 Å²	35	30.2 Å²	30.2	21%	0.212	19%	0.185	C	C	.	.	H	α-helix	trans	-63	-44.7	172.5	-179.9	0	0	0	0	110.1	I247 N254 K255 Y256 A261 N262 V287	I247-V258 HydrophobicContact CD1-CB 4.12Å; I247-V258 HydrophobicContact CD1-CG1 4.01Å; N254-V258 PolarHBondContact O-N 3.27Å; K255-V258 HydrophobicContact CD-CB 4.45Å; K255-V258 HydrophobicContact CD-CG2 4.1Å; K255-V258 CarbonylContact O-C 3.53Å; K255-V258 WeakPolarHBondContact O-CB 3.35Å; K255-V258 PolarHBondContact O-N 3.44Å; K255-V258 VanDerWaalsContact O-N 3.08Å; Y256-V258 VanDerWaalsContact C-N 3.34Å; Y256-V258 PolarHBondContact O-N 3.18Å; V258-A261 PolarHBondContact O-N 3.49Å; V258-N262 PolarHBondContact O-N 3.44Å; V258-N262 PolarHBondContact O-ND2 2.94Å; V258-V287 HydrophobicContact CG2-CG1 4.42Å
259	G	98.6	Very high	98.3	Very high	3 Å²	3	28.8 Å²	28.8	3%	0.031	18%	0.177	C	C	.	.	H	α-helix	trans	-61.1	-51.7	175.8	0	0	0	0	0	111.7	K255 Y256 Y257 A261 N262 N263 L264	K255-G259 PolarHBondContact O-N 2.67Å; Y256-G259 PolarHBondContact O-N 2.87Å; Y257-G259 VanDerWaalsContact C-N 3.35Å; G259-A261 PolarHBondContact O-N 3.4Å; G259-N262 CarbonylContact O-C 3.46Å; G259-N262 PolarHBondContact O-N 3.08Å; G259-N263 PolarHBondContact O-N 3.35Å; G259-L264 WeakPolarHBondContact O-CA 3.29Å; G259-L264 WeakPolarHBondContact O-CB 3.47Å; G259-L264 PolarHBondContact O-N 2.85Å
260	V	98.5	Very high	98.4	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-53.5	-51.8	176.2	171.2	0	0	0	0	110.7	Y256 N262 N263 D270 L274 V283	Y256-V260 HydrophobicContact CD1-CG2 4.47Å; Y256-V260 HydrophobicContact CD2-CG2 4.19Å; Y256-V260 HydrophobicContact CE1-CG2 4.07Å; Y256-V260 HydrophobicContact CE2-CG2 3.75Å; Y256-V260 WeakPolarHBondContact O-CG2 3.43Å; Y256-V260 PolarHBondContact O-N 2.68Å; V260-N262 PolarHBondContact O-N 2.97Å; V260-N262 VanDerWaalsContact O-N 3.08Å; V260-N263 PolarHBondContact O-N 3.25Å; V260-D270 HydrophobicContact CG2-CB 4.12Å; V260-L274 HydrophobicContact CG1-CD1 3.9Å; V260-L274 HydrophobicContact CG1-CD2 3.93Å; V260-L274 HydrophobicContact CG1-CG 3.68Å; V260-L274 VanDerWaalsContact O-CD1 3.3Å; V260-L274 WeakPolarHBondContact O-CD1 3.3Å; V260-V283 HydrophobicContact CG1-CG1 4.46Å
261	A	98.3	Very high	98.4	Very high	39 Å²	39	23.6 Å²	23.6	32%	0.322	14%	0.136	S	C	.	.	H	α-helix	trans	-61.6	-19	179.9	0	0	0	0	0	114.5	Y257 V258 G259 V287	Y257-A261 VanDerWaalsContact O-CB 3.3Å; Y257-A261 WeakPolarHBondContact O-CB 3.18Å; Y257-A261 PolarHBondContact O-N 2.76Å; V258-A261 PolarHBondContact O-N 3.49Å; G259-A261 PolarHBondContact O-N 3.4Å; A261-V287 HydrophobicContact CB-CG2 4.1Å
262	N	98.2	Very high	98.4	Very high	102 Å²	102	22.3 Å²	22.3	55%	0.545	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.7	21.4	176.3	-71.8	-84.4	0	0	0	112.9	V258 G259 V260 L264	V258-N262 PolarHBondContact O-N 3.44Å; V258-N262 PolarHBondContact O-ND2 2.94Å; G259-N262 CarbonylContact O-C 3.46Å; G259-N262 PolarHBondContact O-N 3.08Å; V260-N262 PolarHBondContact O-N 2.97Å; V260-N262 VanDerWaalsContact O-N 3.08Å; N262-L264 VanDerWaalsContact C-N 3.26Å; N262-L264 HydrophobicContact CB-CD1 4.39Å; N262-L264 HydrophobicContact CB-CG 4.33Å; N262-L264 PolarHBondContact O-N 3.35Å
263	N	98	Very high	98.4	Very high	70 Å²	70	22.2 Å²	22.2	37%	0.374	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.3	31.1	179.3	-62.3	-8.5	0	0	0	113.8	A216 S218 G259 V260 H271	A216-N263 VanDerWaalsContact O-CB 3.24Å; A216-N263 WeakPolarHBondContact O-CB 3.41Å; A216-N263 VanDerWaalsContact O-CG 3.28Å; S218-N263 WeakPolarHBondContact CB-O 3.45Å; S218-N263 PolarHBondContact N-O 3.04Å; G259-N263 PolarHBondContact O-N 3.35Å; V260-N263 PolarHBondContact O-N 3.25Å; N263-H271 WeakPolarHBondContact CA-NE2 3.22Å
264	L	98.5	Very high	98.4	Very high	41 Å²	41	22.1 Å²	22.1	22%	0.215	12%	0.124	C	C	.	.			trans	-108.2	8.5	178.2	-51.9	176.5	0	0	0	113	Y221 V246 G259 N262 L266	Y221-L264 HydrophobicContact CD1-CB 4.24Å; Y221-L264 HydrophobicContact CD1-CD2 3.99Å; Y221-L264 HydrophobicContact CE1-CB 4.38Å; Y221-L264 WeakPolarHBondContact CE1-O 3.25Å; Y221-L264 HydrophobicContact CG-CD2 3.88Å; V246-L264 HydrophobicContact CG1-CB 4.4Å; V246-L264 HydrophobicContact CG1-CD1 4.19Å; G259-L264 WeakPolarHBondContact O-CA 3.29Å; G259-L264 WeakPolarHBondContact O-CB 3.47Å; G259-L264 PolarHBondContact O-N 2.85Å; N262-L264 VanDerWaalsContact C-N 3.26Å; N262-L264 HydrophobicContact CB-CD1 4.39Å; N262-L264 HydrophobicContact CB-CG 4.33Å; N262-L264 PolarHBondContact O-N 3.35Å; L264-L266 PolarHBondContact O-N 3.3Å
265	G	98.1	Very high	98.3	Very high	3 Å²	3	26.7 Å²	26.7	3%	0.031	15%	0.153	C	C	.	.			trans	-63.2	132.7	173.6	0	0	0	0	0	111.6	R203 H271	R203-G265 PolarHBondContact NH1-O 3.29Å; G265-H271 PolarHBondContact N-CE1 3.16Å; G265-H271 VanDerWaalsContact N-CE1 3.29Å; G265-H271 PolarHBondContact O-CE1 3.24Å; G265-H271 PolarHBondContact O-ND1 3.13Å
266	L	98.4	Very high	98.2	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	16%	0.155	C	C	.	.	S	Bend	trans	-72	-45.2	-172.4	-176.1	60	0	0	0	112.1	F200 R203 L225 V242 M244 L264 D270	F200-L266 HydrophobicContact CB-CD1 4.45Å; F200-L266 HydrophobicContact CB-CG 4.41Å; F200-L266 HydrophobicContact CD1-CD1 3.75Å; F200-L266 HydrophobicContact CD1-CD2 3.82Å; F200-L266 HydrophobicContact CD1-CG 3.7Å; F200-L266 HydrophobicContact CD2-CD1 3.85Å; F200-L266 HydrophobicContact CE1-CD1 3.85Å; F200-L266 HydrophobicContact CE1-CD2 3.82Å; F200-L266 HydrophobicContact CE1-CG 4.07Å; F200-L266 HydrophobicContact CE2-CD1 3.95Å; F200-L266 HydrophobicContact CG-CD1 3.74Å; F200-L266 HydrophobicContact CG-CG 3.99Å; F200-L266 HydrophobicContact CZ-CD1 3.94Å; R203-L266 PolarHBondContact NH1-O 3.36Å; L225-L266 HydrophobicContact CD1-CD1 3.89Å; L225-L266 HydrophobicContact CD2-CD1 3.99Å; V242-L266 HydrophobicContact CG2-CD1 4.01Å; V242-L266 HydrophobicContact CG2-CD2 3.68Å; M244-L266 HydrophobicContact CG-CD2 4.17Å; L264-L266 PolarHBondContact O-N 3.3Å; L266-D270 PolarHBondContact N-OD2 3.19Å
267	F	98.5	Very high	98.1	Very high	13 Å²	13	30.1 Å²	30.1	6%	0.057	19%	0.186	C	C	.	.	S	Bend	trans	-91.2	162.3	-174.8	-54.1	-61.1	0	0	0	113.2	P162 H190 S195 F200 R203 M244 S269 D270 H271	P162-F267 HydrophobicContact CB-CB 3.98Å; P162-F267 HydrophobicContact CB-CD1 3.55Å; P162-F267 HydrophobicContact CB-CE1 4.19Å; P162-F267 HydrophobicContact CB-CG 3.86Å; H190-F267 AromaticContact CE1-CD2 3.67Å; H190-F267 AromaticContact CE1-CE2 3.75Å; H190-F267 AromaticContact ND1-CD2 3.74Å; H190-F267 AromaticContact ND1-CE2 3.88Å; S195-F267 WeakPolarHBondContact OG-CE1 3.25Å; S195-F267 WeakPolarHBondContact OG-CZ 3.19Å; F200-F267 HydrophobicContact CB-CD1 4.32Å; F200-F267 HydrophobicContact CD1-CE1 4.33Å; R203-F267 PolarHBondContact NH1-O 3.26Å; M244-F267 HydrophobicContact CG-CE2 4.16Å; M244-F267 HydrophobicContact CG-CZ 4.19Å; M244-F267 HydrophobicContact SD-CE2 3.65Å; M244-F267 HydrophobicContact SD-CZ 3.85Å; F267-S269 VanDerWaalsContact CB-OG 3.3Å; F267-S269 WeakPolarHBondContact CB-OG 3.25Å; F267-D270 HydrophobicContact CB-CB 4.44Å; F267-D270 WeakPolarHBondContact CB-OD2 3.13Å; F267-D270 WeakPolarHBondContact CD2-OD2 3.43Å; F267-D270 PolarHBondContact N-OD2 3.37Å; F267-D270 PolarHBondContact O-N 3.22Å; F267-H271 PolarHBondContact O-N 3.22Å; F267-H271 PolarHBondContact O-ND1 3.25Å
268	T	98.1	Very high	98	Very high	27 Å²	27	34.9 Å²	34.9	17%	0.166	22%	0.215	C	C	.	.	H	α-helix	trans	-63	-40	168.9	-58.4	0	0	0	0	109.2	P162 R203 D270 H271 A272	P162-T268 WeakPolarHBondContact O-CB 3.31Å; P162-T268 PolarHBondContact O-N 3.19Å; R203-T268 WeakPolarHBondContact CD-OG1 3.42Å; R203-T268 WeakPolarHBondContact CG-OG1 3.46Å; T268-D270 VanDerWaalsContact C-N 3.29Å; T268-D270 PolarHBondContact O-N 3.13Å; T268-H271 PolarHBondContact O-N 3.32Å; T268-A272 WeakPolarHBondContact O-CB 3.43Å; T268-A272 PolarHBondContact O-N 3.05Å
269	S	98.5	Very high	98	Very high	11 Å²	11	33.4 Å²	33.4	8%	0.077	21%	0.206	C	C	.	.	H	α-helix	trans	-62	-31.1	176.2	55.8	0	0	0	0	113.7	P162 F267 A272	P162-S269 PolarHBondContact O-N 3.33Å; P162-S269 PolarHBondContact O-OG 3.4Å; F267-S269 VanDerWaalsContact CB-OG 3.3Å; F267-S269 WeakPolarHBondContact CB-OG 3.25Å; S269-A272 WeakPolarHBondContact O-CB 3.47Å; S269-A272 PolarHBondContact O-N 2.92Å
270	D	98.6	Very high	98	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.005	22%	0.223	C	C	.	.	H	α-helix	trans	-69.3	-45.8	174.1	-64.1	-35.4	0	0	0	111.1	H190 Y256 V260 L266 F267 T268 A272 L273	H190-D270 IonicContact CE1-OD1 2.71Å; H190-D270 IonicContact CG-OD1 3.78Å; H190-D270 IonicContact ND1-OD1 2.76Å; H190-D270 PolarHBondContact ND1-OD1 3.08Å; H190-D270 IonicContact ND1-OD2 3.17Å; Y256-D270 HydrophobicContact CE2-CB 4.25Å; Y256-D270 VanDerWaalsContact CE2-OD1 3.31Å; Y256-D270 WeakPolarHBondContact CE2-OD1 3.47Å; Y256-D270 PolarHBondContact OH-OD1 3.28Å; V260-D270 HydrophobicContact CG2-CB 4.12Å; L266-D270 PolarHBondContact N-OD2 3.19Å; F267-D270 HydrophobicContact CB-CB 4.44Å; F267-D270 WeakPolarHBondContact CB-OD2 3.13Å; F267-D270 WeakPolarHBondContact CD2-OD2 3.43Å; F267-D270 PolarHBondContact N-OD2 3.37Å; F267-D270 PolarHBondContact O-N 3.22Å; T268-D270 VanDerWaalsContact C-N 3.29Å; T268-D270 PolarHBondContact O-N 3.13Å; D270-A272 PolarHBondContact O-N 3.16Å; D270-L273 WeakPolarHBondContact O-CB 3.35Å; D270-L273 VanDerWaalsContact O-CG 3.32Å; D270-L273 WeakPolarHBondContact O-CG 3.5Å; D270-L273 PolarHBondContact O-N 3.32Å
271	H	97.6	Very high	98	Very high	11 Å²	11	41 Å²	41	5%	0.051	25%	0.246	C	C	.	.	H	α-helix	trans	-68.2	-27.1	176.4	-81.4	79.7	0	0	0	112.1	R203 A216 N263 G265 F267 T268 L273 L274	R203-H271 PolarHBondContact NH1-CE1 2.88Å; R203-H271 PolarHBondContact NH1-ND1 3.25Å; R203-H271 VanDerWaalsContact NH1-ND1 3.19Å; R203-H271 PolarHBondContact NH2-CE1 3.43Å; R203-H271 VanDerWaalsContact NH2-CG 3.29Å; R203-H271 PolarHBondContact NH2-ND1 3.05Å; A216-H271 PolarHBondContact O-CD2 3.19Å; A216-H271 PolarHBondContact O-NE2 2.98Å; A216-H271 VanDerWaalsContact O-NE2 3.12Å; N263-H271 WeakPolarHBondContact CA-NE2 3.22Å; G265-H271 PolarHBondContact N-CE1 3.16Å; G265-H271 VanDerWaalsContact N-CE1 3.29Å; G265-H271 PolarHBondContact O-CE1 3.24Å; G265-H271 PolarHBondContact O-ND1 3.13Å; F267-H271 PolarHBondContact O-N 3.22Å; F267-H271 PolarHBondContact O-ND1 3.25Å; T268-H271 PolarHBondContact O-N 3.32Å; H271-L273 PolarHBondContact O-N 2.88Å; H271-L273 VanDerWaalsContact O-N 3.16Å; H271-L274 WeakPolarHBondContact O-CB 3.36Å; H271-L274 PolarHBondContact O-N 3.35Å
272	A	98.1	Very high	98	Very high	6 Å²	6	39.8 Å²	39.8	5%	0.05	24%	0.235	C	C	.	.	H	α-helix	trans	-59.9	-24.7	175.8	0	0	0	0	0	112.8	A166 L169 T268 S269 D270 L274 T275	A166-A272 HydrophobicContact CB-CB 4.45Å; L169-A272 HydrophobicContact CD1-CB 4Å; T268-A272 WeakPolarHBondContact O-CB 3.43Å; T268-A272 PolarHBondContact O-N 3.05Å; S269-A272 WeakPolarHBondContact O-CB 3.47Å; S269-A272 PolarHBondContact O-N 2.92Å; D270-A272 PolarHBondContact O-N 3.16Å; A272-L274 PolarHBondContact O-N 3.05Å; A272-L274 VanDerWaalsContact O-N 3.12Å; A272-T275 PolarHBondContact O-N 3.41Å; A272-T275 PolarHBondContact O-OG1 3.29Å
273	L	98.4	Very high	98	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-18.9	175.5	-53	-174.3	0	0	0	113	M183 V184 Y256 D270 H271 L279 R280 V283	M183-L273 HydrophobicContact CE-CD2 3.88Å; M183-L273 HydrophobicContact SD-CD2 3.63Å; V184-L273 HydrophobicContact CG1-CD1 4.44Å; V184-L273 HydrophobicContact CG2-CD2 4.29Å; Y256-L273 HydrophobicContact CE1-CD1 4.07Å; Y256-L273 VanDerWaalsContact OH-CD1 3.3Å; Y256-L273 WeakPolarHBondContact OH-CD1 3.44Å; D270-L273 WeakPolarHBondContact O-CB 3.35Å; D270-L273 VanDerWaalsContact O-CG 3.32Å; D270-L273 WeakPolarHBondContact O-CG 3.5Å; D270-L273 PolarHBondContact O-N 3.32Å; H271-L273 PolarHBondContact O-N 2.88Å; H271-L273 VanDerWaalsContact O-N 3.16Å; L273-L279 CarbonylContact O-C 3.41Å; L273-L279 VanDerWaalsContact O-CB 3.27Å; L273-L279 WeakPolarHBondContact O-CB 3.16Å; L273-R280 PolarHBondContact O-N 2.82Å; L273-V283 HydrophobicContact CB-CG2 3.85Å; L273-V283 HydrophobicContact CD1-CG2 4.44Å
274	L	98.1	Very high	98	Very high	14 Å²	14	34.6 Å²	34.6	7%	0.073	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.3	-10.7	-178.7	-65.4	-170.9	0	0	0	114.1	V260 H271 A272 R280 V283	V260-L274 HydrophobicContact CG1-CD1 3.9Å; V260-L274 HydrophobicContact CG1-CD2 3.93Å; V260-L274 HydrophobicContact CG1-CG 3.68Å; V260-L274 VanDerWaalsContact O-CD1 3.3Å; V260-L274 WeakPolarHBondContact O-CD1 3.3Å; H271-L274 WeakPolarHBondContact O-CB 3.36Å; H271-L274 PolarHBondContact O-N 3.35Å; A272-L274 PolarHBondContact O-N 3.05Å; A272-L274 VanDerWaalsContact O-N 3.12Å; L274-R280 VanDerWaalsContact O-CZ 3.26Å; L274-R280 PolarHBondContact O-NE 3.2Å; L274-R280 PolarHBondContact O-NH2 3.12Å; L274-V283 HydrophobicContact CD2-CB 4.35Å; L274-V283 HydrophobicContact CD2-CG1 3.99Å; L274-V283 HydrophobicContact CD2-CG2 4.41Å
275	T	97.4	Very high	98	Very high	107 Å²	107	34.7 Å²	34.7	66%	0.656	21%	0.207	S	C	*	.	S	Bend	trans	-89.2	-11	-172.2	66.5	0	0	0	0	113.4	A272	A272-T275 PolarHBondContact O-N 3.41Å; A272-T275 PolarHBondContact O-OG1 3.29Å
276	N	95.2	Very high	98	Very high	68 Å²	68	34.5 Å²	34.5	36%	0.364	21%	0.205	S	C	.	.	S	Bend	trans	-118.4	134.3	176	177.9	-78.7	0	0	0	110.3	A166 T278 L279 R280	A166-N276 HydrophobicContact CB-CB 4.32Å; N276-T278 VanDerWaalsContact C-N 3.33Å; N276-T278 PolarHBondContact O-N 3.31Å; N276-T278 WeakPolarHBondContact OD1-CA 3.49Å; N276-T278 VanDerWaalsContact OD1-CB 3.3Å; N276-T278 WeakPolarHBondContact OD1-CB 3.3Å; N276-T278 PolarHBondContact OD1-N 3.04Å; N276-L279 HydrophobicContact CB-CB 4.27Å; N276-L279 HydrophobicContact CB-CD1 4.03Å; N276-L279 HydrophobicContact CB-CG 3.9Å; N276-L279 PolarHBondContact O-N 3.19Å; N276-L279 PolarHBondContact OD1-N 2.85Å; N276-R280 WeakPolarHBondContact O-CB 3.35Å; N276-R280 PolarHBondContact O-N 3.01Å
277	A	97.2	Very high	98.1	Very high	82 Å²	82	36.9 Å²	36.9	68%	0.678	22%	0.22	S	C	*	.	H	α-helix	trans	-61.4	-37.3	-175.2	0	0	0	0	0	113.6	A281	A277-A281 PolarHBondContact O-N 2.93Å
278	T	96.9	Very high	98.1	Very high	100 Å²	100	44.5 Å²	44.5	61%	0.613	25%	0.253	S	S	*	.	H	α-helix	trans	-68.9	-45.5	178.6	-53.4	0	0	0	0	111	N276 A281 S282	N276-T278 VanDerWaalsContact C-N 3.33Å; N276-T278 PolarHBondContact O-N 3.31Å; N276-T278 WeakPolarHBondContact OD1-CA 3.49Å; N276-T278 VanDerWaalsContact OD1-CB 3.3Å; N276-T278 WeakPolarHBondContact OD1-CB 3.3Å; N276-T278 PolarHBondContact OD1-N 3.04Å; T278-A281 PolarHBondContact O-N 3.02Å; T278-S282 PolarHBondContact O-N 3.07Å
279	L	98.5	Very high	98.1	Very high	4 Å²	4	45.1 Å²	45.1	2%	0.021	26%	0.258	C	S	.	.	H	α-helix	trans	-64.7	-43.1	178	-55.3	-173.6	0	0	0	111.2	A166 V170 A180 M183 V184 L273 N276 A281 S282 V283	A166-L279 HydrophobicContact CB-CD1 3.79Å; V170-L279 HydrophobicContact CG2-CD1 4.31Å; V170-L279 HydrophobicContact CG2-CD2 4.12Å; A180-L279 HydrophobicContact CB-CD2 3.97Å; M183-L279 HydrophobicContact CE-CD1 3.82Å; M183-L279 HydrophobicContact CE-CD2 4.01Å; V184-L279 HydrophobicContact CG2-CB 4.04Å; V184-L279 HydrophobicContact CG2-CD2 3.69Å; V184-L279 HydrophobicContact CG2-CG 4.35Å; L273-L279 CarbonylContact O-C 3.41Å; L273-L279 VanDerWaalsContact O-CB 3.27Å; L273-L279 WeakPolarHBondContact O-CB 3.16Å; N276-L279 HydrophobicContact CB-CB 4.27Å; N276-L279 HydrophobicContact CB-CD1 4.03Å; N276-L279 HydrophobicContact CB-CG 3.9Å; N276-L279 PolarHBondContact O-N 3.19Å; N276-L279 PolarHBondContact OD1-N 2.85Å; L279-A281 VanDerWaalsContact C-N 3.3Å; L279-A281 PolarHBondContact O-N 3.16Å; L279-S282 WeakPolarHBondContact O-CB 3.31Å; L279-S282 PolarHBondContact O-N 2.85Å; L279-S282 VanDerWaalsContact O-N 3.12Å; L279-V283 PolarHBondContact O-N 2.89Å
280	R	98.5	Very high	98.1	Very high	103 Å²	103	47.9 Å²	47.9	39%	0.389	27%	0.27	S	S	.	.	H	α-helix	trans	-58.8	-40.3	176.3	178.6	178	-70.9	-92.4	10.9	112	L273 L274 N276 S282 V283 D284	L273-R280 PolarHBondContact O-N 2.82Å; L274-R280 VanDerWaalsContact O-CZ 3.26Å; L274-R280 PolarHBondContact O-NE 3.2Å; L274-R280 PolarHBondContact O-NH2 3.12Å; N276-R280 WeakPolarHBondContact O-CB 3.35Å; N276-R280 PolarHBondContact O-N 3.01Å; R280-S282 VanDerWaalsContact C-N 3.27Å; R280-S282 PolarHBondContact O-N 3.41Å; R280-V283 WeakPolarHBondContact O-CB 3.37Å; R280-V283 PolarHBondContact O-N 3.32Å; R280-V283 VanDerWaalsContact O-N 3.11Å; R280-D284 PolarHBondContact O-N 3.36Å
281	A	98.3	Very high	98.1	Very high	58 Å²	58	53.3 Å²	53.3	48%	0.479	30%	0.303	S	S	.	.	H	α-helix	trans	-59.5	-38.5	177.3	0	0	0	0	0	112.3	A277 T278 L279 E285	A277-A281 PolarHBondContact O-N 2.93Å; T278-A281 PolarHBondContact O-N 3.02Å; L279-A281 VanDerWaalsContact C-N 3.3Å; L279-A281 PolarHBondContact O-N 3.16Å; A281-E285 WeakPolarHBondContact O-CB 2.97Å; A281-E285 PolarHBondContact O-N 3.29Å; A281-E285 VanDerWaalsContact O-N 3.07Å
282	S	98.4	Very high	98.1	Very high	14 Å²	14	59.2 Å²	59.2	10%	0.098	33%	0.325	C	S	.	.	H	α-helix	trans	-67.7	-42	172.7	-60.2	0	0	0	0	112	T278 L279 R280 D284 E285 F286	T278-S282 PolarHBondContact O-N 3.07Å; L279-S282 WeakPolarHBondContact O-CB 3.31Å; L279-S282 PolarHBondContact O-N 2.85Å; L279-S282 VanDerWaalsContact O-N 3.12Å; R280-S282 VanDerWaalsContact C-N 3.27Å; R280-S282 PolarHBondContact O-N 3.41Å; S282-D284 PolarHBondContact O-N 3.46Å; S282-E285 WeakPolarHBondContact O-CB 3.33Å; S282-E285 PolarHBondContact O-N 2.85Å; S282-F286 VanDerWaalsContact O-CD2 3.29Å; S282-F286 WeakPolarHBondContact O-CD2 3.19Å; S282-F286 WeakPolarHBondContact O-CG 3.41Å; S282-F286 PolarHBondContact O-N 3.22Å
283	V	98.7	Very high	98.1	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-58.2	-49	174.7	175.6	0	0	0	0	110.6	V184 Y257 V260 L273 L274 L279 R280 E285 F286 V287	V184-V283 HydrophobicContact CG1-CG2 3.98Å; Y257-V283 HydrophobicContact CD1-CG1 4.31Å; Y257-V283 HydrophobicContact CD1-CG2 4.35Å; V260-V283 HydrophobicContact CG1-CG1 4.46Å; L273-V283 HydrophobicContact CB-CG2 3.85Å; L273-V283 HydrophobicContact CD1-CG2 4.44Å; L274-V283 HydrophobicContact CD2-CB 4.35Å; L274-V283 HydrophobicContact CD2-CG1 3.99Å; L274-V283 HydrophobicContact CD2-CG2 4.41Å; L279-V283 PolarHBondContact O-N 2.89Å; R280-V283 WeakPolarHBondContact O-CB 3.37Å; R280-V283 PolarHBondContact O-N 3.32Å; R280-V283 VanDerWaalsContact O-N 3.11Å; V283-E285 VanDerWaalsContact C-N 3.27Å; V283-E285 PolarHBondContact O-N 2.74Å; V283-F286 PolarHBondContact O-N 2.79Å; V283-F286 VanDerWaalsContact O-N 3.1Å; V283-V287 HydrophobicContact CG1-CG2 4.4Å; V283-V287 WeakPolarHBondContact O-CG2 3.36Å; V283-V287 PolarHBondContact O-N 2.99Å
284	D	98.5	Very high	98.1	Very high	63 Å²	63	60.4 Å²	60.4	34%	0.337	33%	0.329	S	S	.	.	H	α-helix	trans	-61.9	-34.7	179.4	-69.2	-20.2	0	0	0	112.3	R280 S282 K288	R280-D284 PolarHBondContact O-N 3.36Å; S282-D284 PolarHBondContact O-N 3.46Å; D284-K288 WeakPolarHBondContact O-CD 3.45Å; D284-K288 VanDerWaalsContact O-CG 3.28Å; D284-K288 WeakPolarHBondContact O-CG 3.44Å; D284-K288 PolarHBondContact O-N 3.3Å
285	E	98.5	Very high	98.1	Very high	43 Å²	43	62.4 Å²	62.4	20%	0.201	34%	0.344	C	S	.	.	H	α-helix	trans	-65.2	-45.7	173	178.5	-179.5	-142.4	0	0	111.5	A281 S282 V283 K288 S289 R292	A281-E285 WeakPolarHBondContact O-CB 2.97Å; A281-E285 PolarHBondContact O-N 3.29Å; A281-E285 VanDerWaalsContact O-N 3.07Å; S282-E285 WeakPolarHBondContact O-CB 3.33Å; S282-E285 PolarHBondContact O-N 2.85Å; V283-E285 VanDerWaalsContact C-N 3.27Å; V283-E285 PolarHBondContact O-N 2.74Å; E285-K288 PolarHBondContact O-N 3.37Å; E285-S289 PolarHBondContact O-N 2.83Å; E285-S289 VanDerWaalsContact O-N 3.14Å; E285-R292 VanDerWaalsContact CD-CD 3.44Å; E285-R292 WeakPolarHBondContact OE1-CD 3.45Å; E285-R292 IonicContact OE1-CZ 2.87Å; E285-R292 IonicContact OE1-NE 3.18Å; E285-R292 IonicContact OE1-NH1 3.75Å; E285-R292 PolarHBondContact OE1-NH1 3.43Å
286	F	98.6	Very high	98.2	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-73.6	-31.1	-177	-59	-19.8	0	0	0	112.6	V184 V185 N254 Y257 S282 V283 K288 S289 W293 K296	V184-F286 HydrophobicContact CB-CE2 4.47Å; V184-F286 HydrophobicContact CG1-CD2 4.19Å; V184-F286 HydrophobicContact CG1-CE2 3.9Å; V185-F286 HydrophobicContact CB-CE2 4.38Å; V185-F286 HydrophobicContact CG2-CE1 4.44Å; V185-F286 HydrophobicContact CG2-CE2 3.52Å; V185-F286 HydrophobicContact CG2-CZ 3.35Å; N254-F286 PolarHBondContact ND2-O 3.42Å; Y257-F286 HydrophobicContact CD1-CB 4.13Å; Y257-F286 HydrophobicContact CD1-CD2 4.13Å; Y257-F286 HydrophobicContact CD2-CB 3.62Å; Y257-F286 HydrophobicContact CD2-CD2 4.46Å; Y257-F286 HydrophobicContact CD2-CG 4.49Å; Y257-F286 HydrophobicContact CE1-CB 4.37Å; Y257-F286 AromaticContact CE1-CD2 3.63Å; Y257-F286 HydrophobicContact CE1-CD2 3.63Å; Y257-F286 HydrophobicContact CE1-CE2 4.48Å; Y257-F286 HydrophobicContact CE1-CG 4.49Å; Y257-F286 HydrophobicContact CE2-CB 3.9Å; Y257-F286 HydrophobicContact CE2-CD2 4.01Å; Y257-F286 HydrophobicContact CE2-CG 4.31Å; Y257-F286 HydrophobicContact CG-CB 3.73Å; Y257-F286 AromaticContact CZ-CD2 3.54Å; S282-F286 VanDerWaalsContact O-CD2 3.29Å; S282-F286 WeakPolarHBondContact O-CD2 3.19Å; S282-F286 WeakPolarHBondContact O-CG 3.41Å; S282-F286 PolarHBondContact O-N 3.22Å; V283-F286 PolarHBondContact O-N 2.79Å; V283-F286 VanDerWaalsContact O-N 3.1Å; F286-K288 VanDerWaalsContact C-N 3.28Å; F286-K288 PolarHBondContact O-N 2.86Å; F286-S289 PolarHBondContact O-N 2.95Å; F286-W293 HydrophobicContact CB-CB 3.97Å; F286-W293 HydrophobicContact CB-CG 4.36Å; F286-W293 HydrophobicContact CD1-CB 3.88Å; F286-W293 AromaticContact CD2-CD1 3.85Å; F286-W293 HydrophobicContact CG-CB 3.9Å; F286-W293 AromaticContact CG-CD1 3.93Å; F286-W293 HydrophobicContact CG-CG 4.24Å; F286-K296 HydrophobicContact CE1-CD 3.54Å; F286-K296 HydrophobicContact CZ-CD 3.77Å
287	V	98.7	Very high	98.4	Very high	49 Å²	49	56.7 Å²	56.7	30%	0.297	31%	0.307	S	S	.	.	H	α-helix	trans	-56.5	-43.1	167.2	168.4	0	0	0	0	111	N254 Y257 V258 A261 V283	N254-V287 PolarHBondContact ND2-O 3.08Å; Y257-V287 WeakPolarHBondContact O-CG2 3.16Å; V258-V287 HydrophobicContact CG2-CG1 4.42Å; A261-V287 HydrophobicContact CB-CG2 4.1Å; V283-V287 HydrophobicContact CG1-CG2 4.4Å; V283-V287 WeakPolarHBondContact O-CG2 3.36Å; V283-V287 PolarHBondContact O-N 2.99Å
288	K	98.6	Very high	98.4	Very high	174 Å²	174	53.7 Å²	53.7	76%	0.757	28%	0.281	S	S	*	.	H	α-helix	trans	-77.3	-25.3	-175.8	-69.5	167.1	-171.9	166.9	0	113.9	D284 E285 F286	D284-K288 WeakPolarHBondContact O-CD 3.45Å; D284-K288 VanDerWaalsContact O-CG 3.28Å; D284-K288 WeakPolarHBondContact O-CG 3.44Å; D284-K288 PolarHBondContact O-N 3.3Å; E285-K288 PolarHBondContact O-N 3.37Å; F286-K288 VanDerWaalsContact C-N 3.28Å; F286-K288 PolarHBondContact O-N 2.86Å
289	S	98.5	Very high	98.5	Very high	40 Å²	40	55.7 Å²	55.7	28%	0.28	28%	0.28	S	S	.	.			trans	-147.4	97.7	-173.9	-172.3	0	0	0	0	113.3	E285 F286 T291 R292 W293	E285-S289 PolarHBondContact O-N 2.83Å; E285-S289 VanDerWaalsContact O-N 3.14Å; F286-S289 PolarHBondContact O-N 2.95Å; S289-T291 VanDerWaalsContact C-N 3.3Å; S289-T291 PolarHBondContact O-N 2.93Å; S289-R292 PolarHBondContact O-N 3.2Å; S289-R292 WeakPolarHBondContact OG-CB 3.47Å; S289-R292 PolarHBondContact OG-N 2.82Å; S289-W293 PolarHBondContact O-N 3.21Å
290	E	98.5	Very high	98.5	Very high	68 Å²	68	55.5 Å²	55.5	32%	0.318	28%	0.28	S	S	.	.	H	α-helix	trans	-57.2	-42.8	170.9	-173.3	-172.3	129.7	0	0	111.9	N254 R292 W293 K294	N254-E290 HydrophobicContact CB-CB 4Å; N254-E290 HydrophobicContact CB-CG 4.04Å; E290-R292 VanDerWaalsContact C-N 3.28Å; E290-R292 PolarHBondContact O-N 2.79Å; E290-W293 HydrophobicContact CG-CE3 4.44Å; E290-W293 PolarHBondContact O-N 3.38Å; E290-K294 HydrophobicContact CG-CD 4.11Å; E290-K294 HydrophobicContact CG-CG 4.3Å; E290-K294 WeakPolarHBondContact O-CB 3.29Å; E290-K294 PolarHBondContact O-N 3.49Å; E290-K294 WeakPolarHBondContact OE1-CE 3.16Å; E290-K294 IonicContact OE1-NZ 2.69Å; E290-K294 PolarHBondContact OE1-NZ 3.28Å
291	T	98.2	Very high	98.5	Very high	115 Å²	115	50.9 Å²	50.9	71%	0.706	26%	0.263	S	S	*	.	H	α-helix	trans	-58.4	-41.3	177.9	-52.6	0	0	0	0	111.9	S289 S295	S289-T291 VanDerWaalsContact C-N 3.3Å; S289-T291 PolarHBondContact O-N 2.93Å; T291-S295 WeakPolarHBondContact O-CB 3.44Å; T291-S295 PolarHBondContact O-N 3.21Å
292	R	98.3	Very high	98.6	Very high	135 Å²	135	50 Å²	50	51%	0.509	25%	0.251	S	S	.	.	H	α-helix	trans	-68.1	-44.8	178.1	-171.9	174.3	-69.2	-158	-3.4	111.1	E285 S289 E290 S295 K296	E285-R292 VanDerWaalsContact CD-CD 3.44Å; E285-R292 WeakPolarHBondContact OE1-CD 3.45Å; E285-R292 IonicContact OE1-CZ 2.87Å; E285-R292 IonicContact OE1-NE 3.18Å; E285-R292 IonicContact OE1-NH1 3.75Å; E285-R292 PolarHBondContact OE1-NH1 3.43Å; S289-R292 PolarHBondContact O-N 3.2Å; S289-R292 WeakPolarHBondContact OG-CB 3.47Å; S289-R292 PolarHBondContact OG-N 2.82Å; E290-R292 VanDerWaalsContact C-N 3.28Å; E290-R292 PolarHBondContact O-N 2.79Å; R292-S295 PolarHBondContact O-N 3.02Å; R292-K296 PolarHBondContact O-N 3.01Å
293	W	98.7	Very high	98.6	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-58.8	-53.6	174.5	168.9	69	0	0	0	111.4	V185 T191 L252 D253 N254 Y257 F286 S289 E290 S295 K296 F297	V185-W293 PolarHBondContact O-NE1 3.31Å; T191-W293 HydrophobicContact CG2-CH2 4.26Å; L252-W293 HydrophobicContact CD1-CH2 4.34Å; L252-W293 HydrophobicContact CG-CH2 3.99Å; D253-W293 WeakPolarHBondContact O-CH2 3.33Å; D253-W293 WeakPolarHBondContact O-CZ3 3.35Å; N254-W293 HydrophobicContact CB-CE3 4.25Å; Y257-W293 HydrophobicContact CD2-CG 4.45Å; Y257-W293 AromaticContact CE2-CD1 3.28Å; Y257-W293 AromaticContact CE2-CD2 3.9Å; Y257-W293 HydrophobicContact CE2-CD2 3.9Å; Y257-W293 AromaticContact CE2-CE2 3.64Å; Y257-W293 AromaticContact CE2-CG 3.68Å; Y257-W293 HydrophobicContact CE2-CG 3.68Å; Y257-W293 HydrophobicContact CE2-CZ2 4.36Å; Y257-W293 AromaticContact CE2-NE1 3.27Å; Y257-W293 VanDerWaalsContact CE2-NE1 3.27Å; Y257-W293 AromaticContact CZ-CD1 3.58Å; Y257-W293 AromaticContact CZ-NE1 3.48Å; Y257-W293 VanDerWaalsContact OH-CD1 3.23Å; Y257-W293 PolarHBondContact OH-NE1 3.17Å; F286-W293 HydrophobicContact CB-CB 3.97Å; F286-W293 HydrophobicContact CB-CG 4.36Å; F286-W293 HydrophobicContact CD1-CB 3.88Å; F286-W293 AromaticContact CD2-CD1 3.85Å; F286-W293 HydrophobicContact CG-CB 3.9Å; F286-W293 AromaticContact CG-CD1 3.93Å; F286-W293 HydrophobicContact CG-CG 4.24Å; S289-W293 PolarHBondContact O-N 3.21Å; E290-W293 HydrophobicContact CG-CE3 4.44Å; E290-W293 PolarHBondContact O-N 3.38Å; W293-S295 VanDerWaalsContact C-N 3.26Å; W293-S295 PolarHBondContact O-N 2.79Å; W293-K296 CarbonylContact O-C 3.27Å; W293-K296 WeakPolarHBondContact O-CA 3.08Å; W293-K296 PolarHBondContact O-N 3.49Å; W293-F297 AromaticContact CE2-CD2 3.93Å; W293-F297 HydrophobicContact CZ2-CB 4.3Å; W293-F297 AromaticContact CZ2-CD2 3.64Å; W293-F297 HydrophobicContact CZ2-CD2 3.64Å; W293-F297 HydrophobicContact CZ2-CE2 4.14Å; W293-F297 AromaticContact CZ2-CG 3.97Å; W293-F297 HydrophobicContact CZ2-CG 3.97Å; W293-F297 AromaticContact NE1-CD2 3.91Å; W293-F297 WeakPolarHBondContact O-CB 3.39Å; W293-F297 PolarHBondContact O-N 2.94Å
294	K	98.6	Very high	98.6	Very high	31 Å²	31	53.3 Å²	53.3	14%	0.135	26%	0.264	C	S	.	.	H	α-helix	trans	-55.1	-40.2	178.8	-75.9	-175.3	172.3	174.3	0	112.4	G134 V136 L252 E290 F297 V298	G134-K294 WeakPolarHBondContact O-CE 3.27Å; G134-K294 PolarHBondContact O-NZ 2.92Å; V136-K294 HydrophobicContact CB-CD 4.41Å; V136-K294 HydrophobicContact CG1-CD 4.44Å; V136-K294 HydrophobicContact CG2-CB 4.46Å; L252-K294 WeakPolarHBondContact O-CE 3.23Å; L252-K294 PolarHBondContact O-NZ 2.82Å; E290-K294 HydrophobicContact CG-CD 4.11Å; E290-K294 HydrophobicContact CG-CG 4.3Å; E290-K294 WeakPolarHBondContact O-CB 3.29Å; E290-K294 PolarHBondContact O-N 3.49Å; E290-K294 WeakPolarHBondContact OE1-CE 3.16Å; E290-K294 IonicContact OE1-NZ 2.69Å; E290-K294 PolarHBondContact OE1-NZ 3.28Å; K294-F297 PolarHBondContact O-N 2.87Å; K294-V298 PolarHBondContact O-N 2.86Å; K294-V298 VanDerWaalsContact O-N 3.12Å
295	S	98.5	Very high	98.6	Very high	56 Å²	56	50.4 Å²	50.4	39%	0.392	25%	0.249	S	C	.	.	H	α-helix	trans	-63.9	-40	175.8	-173.1	0	0	0	0	112.9	T291 R292 W293 V298 K299	T291-S295 WeakPolarHBondContact O-CB 3.44Å; T291-S295 PolarHBondContact O-N 3.21Å; R292-S295 PolarHBondContact O-N 3.02Å; W293-S295 VanDerWaalsContact C-N 3.26Å; W293-S295 PolarHBondContact O-N 2.79Å; S295-V298 WeakPolarHBondContact O-CG2 3.34Å; S295-K299 WeakPolarHBondContact O-CG 3.2Å
296	K	98.7	Very high	98.5	Very high	54 Å²	54	50.1 Å²	50.1	24%	0.235	26%	0.258	C	S	.	.	H	α-helix	trans	-72.9	-39.9	174.4	-73.8	174.7	177.1	-85.9	0	111.4	E181 V185 F286 R292 W293 V298 K299 A300	E181-K296 VanDerWaalsContact CD-NZ 3.25Å; E181-K296 WeakPolarHBondContact OE1-CE 3.48Å; E181-K296 IonicContact OE1-NZ 2.84Å; E181-K296 PolarHBondContact OE1-NZ 3.48Å; E181-K296 IonicContact OE2-NZ 2.67Å; E181-K296 PolarHBondContact OE2-NZ 3.43Å; V185-K296 VanDerWaalsContact CG1-C 3.5Å; V185-K296 HydrophobicContact CG1-CB 4.01Å; V185-K296 HydrophobicContact CG2-CB 3.82Å; V185-K296 HydrophobicContact CG2-CD 4.25Å; F286-K296 HydrophobicContact CE1-CD 3.54Å; F286-K296 HydrophobicContact CZ-CD 3.77Å; R292-K296 PolarHBondContact O-N 3.01Å; W293-K296 CarbonylContact O-C 3.27Å; W293-K296 WeakPolarHBondContact O-CA 3.08Å; W293-K296 PolarHBondContact O-N 3.49Å; K296-V298 PolarHBondContact O-N 2.88Å; K296-K299 WeakPolarHBondContact O-CB 3.47Å; K296-K299 PolarHBondContact O-N 3.34Å; K296-K299 VanDerWaalsContact O-N 3.1Å; K296-A300 WeakPolarHBondContact O-CB 3.4Å; K296-A300 PolarHBondContact O-N 2.9Å
297	F	98.8	Very high	98.5	Very high	1 Å²	1	50.7 Å²	50.7	0%	0.004	26%	0.26	C	S	.	.	H	α-helix	trans	-56.1	-50.7	179.6	-173.1	-96.3	0	0	0	111.8	V130 V185 A189 L252 W293 K294 K299 A300 M301	V130-F297 HydrophobicContact CG1-CE1 4.3Å; V130-F297 HydrophobicContact CG2-CE1 3.82Å; V185-F297 HydrophobicContact CG1-CB 4.15Å; V185-F297 HydrophobicContact CG1-CD2 4.4Å; V185-F297 WeakPolarHBondContact O-CD2 3.47Å; A189-F297 HydrophobicContact CB-CE2 4.05Å; A189-F297 HydrophobicContact CB-CZ 4.11Å; L252-F297 HydrophobicContact CD1-CZ 4.39Å; L252-F297 HydrophobicContact CD2-CD1 4.42Å; L252-F297 HydrophobicContact CD2-CE1 3.97Å; W293-F297 AromaticContact CE2-CD2 3.93Å; W293-F297 HydrophobicContact CZ2-CB 4.3Å; W293-F297 AromaticContact CZ2-CD2 3.64Å; W293-F297 HydrophobicContact CZ2-CD2 3.64Å; W293-F297 HydrophobicContact CZ2-CE2 4.14Å; W293-F297 AromaticContact CZ2-CG 3.97Å; W293-F297 HydrophobicContact CZ2-CG 3.97Å; W293-F297 AromaticContact NE1-CD2 3.91Å; W293-F297 WeakPolarHBondContact O-CB 3.39Å; W293-F297 PolarHBondContact O-N 2.94Å; K294-F297 PolarHBondContact O-N 2.87Å; F297-K299 VanDerWaalsContact C-N 3.29Å; F297-K299 PolarHBondContact O-N 3.23Å; F297-A300 PolarHBondContact O-N 3.3Å; F297-M301 HydrophobicContact CD1-CG 4.03Å; F297-M301 HydrophobicContact CE1-CG 3.68Å; F297-M301 HydrophobicContact CE1-SD 4.24Å; F297-M301 HydrophobicContact CZ-CG 4.01Å; F297-M301 HydrophobicContact CZ-SD 4.03Å; F297-M301 WeakPolarHBondContact O-CG 3.35Å; F297-M301 PolarHBondContact O-N 3.47Å
298	V	98.5	Very high	98.4	Very high	20 Å²	20	53.5 Å²	53.5	12%	0.121	27%	0.27	C	S	.	.	H	α-helix	trans	-65.6	-31.1	178.6	-60.1	0	0	0	0	113.1	V136 Y138 K294 S295 K296 V302	V136-V298 HydrophobicContact CG1-CG1 4.12Å; V136-V298 HydrophobicContact CG2-CG1 3.76Å; Y138-V298 HydrophobicContact CD1-CB 3.62Å; Y138-V298 HydrophobicContact CD1-CG1 3.42Å; Y138-V298 VanDerWaalsContact CD1-CG1 3.42Å; Y138-V298 HydrophobicContact CE1-CB 4.34Å; Y138-V298 HydrophobicContact CE1-CG1 4.03Å; Y138-V298 HydrophobicContact CG-CB 3.87Å; Y138-V298 HydrophobicContact CG-CG1 4.16Å; K294-V298 PolarHBondContact O-N 2.86Å; K294-V298 VanDerWaalsContact O-N 3.12Å; S295-V298 WeakPolarHBondContact O-CG2 3.34Å; K296-V298 PolarHBondContact O-N 2.88Å; V298-V302 VanDerWaalsContact O-CG2 3.31Å; V298-V302 WeakPolarHBondContact O-CG2 3.24Å; V298-V302 PolarHBondContact O-N 2.71Å; V298-V302 VanDerWaalsContact O-N 3.12Å
299	K	98.6	Very high	98.4	Very high	141 Å²	141	46 Å²	46	61%	0.613	24%	0.239	S	C	*	.	H	α-helix	trans	-70.4	-42.3	174.1	-69	173.7	-174	176.2	0	111.3	S295 K296 F297 V302 K303	S295-K299 WeakPolarHBondContact O-CG 3.2Å; K296-K299 WeakPolarHBondContact O-CB 3.47Å; K296-K299 PolarHBondContact O-N 3.34Å; K296-K299 VanDerWaalsContact O-N 3.1Å; F297-K299 VanDerWaalsContact C-N 3.29Å; F297-K299 PolarHBondContact O-N 3.23Å; K299-V302 PolarHBondContact O-N 3.21Å; K299-K303 WeakPolarHBondContact O-CB 3.19Å; K299-K303 PolarHBondContact O-N 2.99Å
300	A	98.7	Very high	98.3	Very high	1 Å²	1	46.1 Å²	46.1	1%	0.008	23%	0.234	C	C	.	.	H	α-helix	trans	-66.3	-38.6	177.2	0	0	0	0	0	111.4	V185 L186 K296 F297 K303 M304	V185-A300 HydrophobicContact CB-CB 4.35Å; V185-A300 HydrophobicContact CG1-CB 3.66Å; L186-A300 HydrophobicContact CD1-CB 4.23Å; L186-A300 HydrophobicContact CD2-CB 3.88Å; L186-A300 HydrophobicContact CG-CB 3.78Å; K296-A300 WeakPolarHBondContact O-CB 3.4Å; K296-A300 PolarHBondContact O-N 2.9Å; F297-A300 PolarHBondContact O-N 3.3Å; A300-K303 PolarHBondContact O-N 2.76Å; A300-M304 VanDerWaalsContact O-CB 3.31Å; A300-M304 WeakPolarHBondContact O-CB 3.11Å; A300-M304 PolarHBondContact O-N 3.46Å
301	M	98.8	Very high	98.2	Very high	5 Å²	5	44 Å²	44	3%	0.025	23%	0.226	C	C	.	.	H	α-helix	trans	-60.6	-44.9	171.8	-73.4	-62.8	-66.5	0	0	112	I61 A126 Y138 L186 F297 K303 M304 G305	I61-M301 HydrophobicContact CG2-CE 4.3Å; A126-M301 HydrophobicContact CB-CE 4.2Å; Y138-M301 HydrophobicContact CE2-CB 4.18Å; L186-M301 HydrophobicContact CD2-CG 4.17Å; L186-M301 HydrophobicContact CD2-SD 3.7Å; F297-M301 HydrophobicContact CD1-CG 4.03Å; F297-M301 HydrophobicContact CE1-CG 3.68Å; F297-M301 HydrophobicContact CE1-SD 4.24Å; F297-M301 HydrophobicContact CZ-CG 4.01Å; F297-M301 HydrophobicContact CZ-SD 4.03Å; F297-M301 WeakPolarHBondContact O-CG 3.35Å; F297-M301 PolarHBondContact O-N 3.47Å; M301-K303 VanDerWaalsContact C-N 3.34Å; M301-K303 PolarHBondContact O-N 3.07Å; M301-M304 HydrophobicContact CE-CE 3.93Å; M301-M304 PolarHBondContact O-N 3.05Å; M301-M304 HydrophobicContact SD-CE 3.91Å; M301-G305 PolarHBondContact O-N 2.9Å
302	V	98.6	Very high	97.9	Very high	40 Å²	40	41 Å²	41	24%	0.242	22%	0.217	C	C	.	.	H	α-helix	trans	-63.5	-40.4	175.2	170.7	0	0	0	0	111.5	Y138 P141 V298 K299 G305 G306	Y138-V302 HydrophobicContact CD2-CG2 3.53Å; Y138-V302 HydrophobicContact CE2-CG2 4.03Å; Y138-V302 HydrophobicContact CG-CG2 4.41Å; P141-V302 HydrophobicContact CG-CG1 3.99Å; V298-V302 VanDerWaalsContact O-CG2 3.31Å; V298-V302 WeakPolarHBondContact O-CG2 3.24Å; V298-V302 PolarHBondContact O-N 2.71Å; V298-V302 VanDerWaalsContact O-N 3.12Å; K299-V302 PolarHBondContact O-N 3.21Å; V302-G305 PolarHBondContact O-N 2.82Å; V302-G306 PolarHBondContact O-N 2.85Å
303	K	98.4	Very high	97.4	Very high	81 Å²	81	40.6 Å²	40.6	35%	0.352	23%	0.231	S	C	.	.	H	α-helix	trans	-64.9	-47.4	177.3	-172.5	179.8	175.1	-173.1	0	111.5	S177 L178 D182 K299 A300 M301 G305 G306	S177-K303 WeakPolarHBondContact O-CE 3.34Å; S177-K303 PolarHBondContact O-NZ 2.84Å; S177-K303 VanDerWaalsContact O-NZ 3.12Å; L178-K303 HydrophobicContact CD2-CB 4.3Å; L178-K303 HydrophobicContact CD2-CD 3.8Å; L178-K303 HydrophobicContact CD2-CG 3.8Å; D182-K303 IonicContact OD2-NZ 2.72Å; D182-K303 PolarHBondContact OD2-NZ 3.29Å; K299-K303 WeakPolarHBondContact O-CB 3.19Å; K299-K303 PolarHBondContact O-N 2.99Å; A300-K303 PolarHBondContact O-N 2.76Å; M301-K303 VanDerWaalsContact C-N 3.34Å; M301-K303 PolarHBondContact O-N 3.07Å; K303-G305 VanDerWaalsContact C-N 3.31Å; K303-G305 PolarHBondContact O-N 3.3Å; K303-G306 PolarHBondContact O-N 3.12Å
304	M	98.7	Very high	96.8	Very high	3 Å²	3	46.9 Å²	46.9	2%	0.015	27%	0.269	C	S	.	.	H	α-helix	trans	-58.3	-44	175.1	-175.9	-175.2	78	0	0	110.9	F65 C68 F69 C73 L178 L186 A300 M301 G306 I307	F65-M304 HydrophobicContact CB-CE 4.17Å; F65-M304 HydrophobicContact CB-SD 4.06Å; F65-M304 HydrophobicContact CD2-SD 3.85Å; F65-M304 HydrophobicContact CG-SD 4.44Å; C68-M304 HydrophobicContact CB-CG 3.96Å; C68-M304 PolarHBondContact SG-O 3.19Å; F69-M304 HydrophobicContact CE2-CG 4.35Å; C73-M304 PolarHBondContact SG-O 3.35Å; L178-M304 HydrophobicContact CD1-CB 4.43Å; L178-M304 HydrophobicContact CD1-CG 4.42Å; L186-M304 HydrophobicContact CD1-CB 4.31Å; L186-M304 HydrophobicContact CD1-SD 4.24Å; L186-M304 HydrophobicContact CD2-SD 4.42Å; A300-M304 VanDerWaalsContact O-CB 3.31Å; A300-M304 WeakPolarHBondContact O-CB 3.11Å; A300-M304 PolarHBondContact O-N 3.46Å; M301-M304 HydrophobicContact CE-CE 3.93Å; M301-M304 PolarHBondContact O-N 3.05Å; M301-M304 HydrophobicContact SD-CE 3.91Å; M304-G306 PolarHBondContact O-N 3.34Å; M304-I307 HydrophobicContact CB-CD1 4.28Å; M304-I307 HydrophobicContact CG-CD1 3.85Å; M304-I307 WeakPolarHBondContact O-CB 3.4Å; M304-I307 VanDerWaalsContact O-CD1 3.3Å; M304-I307 WeakPolarHBondContact O-CD1 3.07Å; M304-I307 WeakPolarHBondContact O-CG1 3.27Å; M304-I307 PolarHBondContact O-N 3.34Å; M304-I307 VanDerWaalsContact O-N 3.07Å
305	G	98.6	Very high	96.5	Very high	2 Å²	2	49.8 Å²	49.8	2%	0.021	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-13.9	175.3	0	0	0	0	0	114.4	C73 R144 M301 V302 K303	C73-G305 VanDerWaalsContact SG-CA 3.54Å; C73-G305 PolarHBondContact SG-O 3.49Å; C73-G305 VanDerWaalsContact SG-O 3.38Å; R144-G305 PolarHBondContact NE-O 2.78Å; R144-G305 PolarHBondContact NH2-O 2.93Å; M301-G305 PolarHBondContact O-N 2.9Å; V302-G305 PolarHBondContact O-N 2.82Å; K303-G305 VanDerWaalsContact C-N 3.31Å; K303-G305 PolarHBondContact O-N 3.3Å
306	G	97.9	Very high	96.3	Very high	37 Å²	37	48.6 Å²	48.6	38%	0.381	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.9	2.9	177.5	0	0	0	0	0	115	V302 K303 M304 E308	V302-G306 PolarHBondContact O-N 2.85Å; K303-G306 PolarHBondContact O-N 3.12Å; M304-G306 PolarHBondContact O-N 3.34Å; G306-E308 PolarHBondContact O-N 3.17Å
307	I	98.3	Very high	96.2	Very high	11 Å²	11	46.5 Å²	46.5	6%	0.056	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70	124	-176.1	-65.6	163.8	0	0	0	110.4	C68 F69 G72 C73 K176 L178 M304 V309	C68-I307 HydrophobicContact CB-CD1 4.33Å; C68-I307 VanDerWaalsContact O-CG2 3.26Å; C68-I307 WeakPolarHBondContact O-CG2 3.29Å; F69-I307 HydrophobicContact CD2-CD1 4.41Å; F69-I307 HydrophobicContact CE2-CD1 4.12Å; G72-I307 VanDerWaalsContact CA-O 3.32Å; G72-I307 WeakPolarHBondContact CA-O 3.45Å; C73-I307 PolarHBondContact N-O 2.83Å; K176-I307 HydrophobicContact CB-CD1 3.98Å; K176-I307 HydrophobicContact CB-CG2 4.44Å; K176-I307 HydrophobicContact CD-CG2 4.25Å; L178-I307 HydrophobicContact CD1-CD1 3.97Å; L178-I307 HydrophobicContact CG-CD1 4.22Å; M304-I307 HydrophobicContact CB-CD1 4.28Å; M304-I307 HydrophobicContact CG-CD1 3.85Å; M304-I307 WeakPolarHBondContact O-CB 3.4Å; M304-I307 VanDerWaalsContact O-CD1 3.3Å; M304-I307 WeakPolarHBondContact O-CD1 3.07Å; M304-I307 WeakPolarHBondContact O-CG1 3.27Å; M304-I307 PolarHBondContact O-N 3.34Å; M304-I307 VanDerWaalsContact O-N 3.07Å; I307-V309 WeakPolarHBondContact O-CG1 3.06Å; I307-V309 PolarHBondContact O-N 3.29Å
308	E	96.7	Very high	96.2	Very high	109 Å²	109	47.2 Å²	47.2	51%	0.509	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.8	33.2	166.1	-58.4	172	-104.1	0	0	114.5	K176 G306	K176-E308 WeakPolarHBondContact CD-OE1 3.45Å; K176-E308 IonicContact NZ-OE1 3.88Å; K176-E308 PolarHBondContact NZ-OE1 3.24Å; G306-E308 PolarHBondContact O-N 3.17Å
309	V	97.8	Very high	96.2	Very high	15 Å²	15	46.2 Å²	46.2	9%	0.091	27%	0.269	C	S	.	.			trans	-68.7	141.6	-172.6	-65.2	0	0	0	0	113	A24 L26 C73 R144 I307 T311	A24-V309 HydrophobicContact CB-CG2 4.11Å; L26-V309 HydrophobicContact CD1-CG1 4.21Å; L26-V309 HydrophobicContact CD1-CG2 4.04Å; L26-V309 HydrophobicContact CD2-CG2 4.31Å; L26-V309 HydrophobicContact CG-CG2 4.12Å; C73-V309 HydrophobicContact CB-CG1 4.07Å; R144-V309 HydrophobicContact CG-CB 4.2Å; R144-V309 HydrophobicContact CG-CG1 3.89Å; I307-V309 WeakPolarHBondContact O-CG1 3.06Å; I307-V309 PolarHBondContact O-N 3.29Å; V309-T311 HydrophobicContact CB-CG2 4.5Å; V309-T311 HydrophobicContact CG2-CG2 3.92Å
310	K	97.3	Very high	96.2	Very high	43 Å²	43	43.2 Å²	43.2	19%	0.187	26%	0.259	C	S	.	.	B	Isolated β-bridge	trans	-82.3	134.1	167.4	-65.8	175.8	179.5	165.7	0	109.7	D74 R144 R145 G147 Q315	D74-K310 HydrophobicContact CB-CD 4.05Å; D74-K310 HydrophobicContact CB-CG 4.33Å; D74-K310 WeakPolarHBondContact OD2-CE 3.45Å; D74-K310 IonicContact OD2-NZ 3.76Å; D74-K310 PolarHBondContact OD2-NZ 3.14Å; R144-K310 CarbonylContact C-O 3.52Å; R144-K310 WeakPolarHBondContact CA-O 3.03Å; R145-K310 HydrophobicContact CB-CB 3.82Å; R145-K310 WeakPolarHBondContact CB-O 3.48Å; R145-K310 PolarHBondContact N-O 2.95Å; G147-K310 VanDerWaalsContact CA-NZ 3.28Å; K310-Q315 HydrophobicContact CB-CB 3.94Å; K310-Q315 HydrophobicContact CG-CB 4.32Å
311	T	96.1	Very high	96.1	Very high	25 Å²	25	46.8 Å²	46.8	15%	0.153	28%	0.278	C	S	.	.			trans	-141.3	168.2	-177.7	64.5	0	0	0	0	112.9	A24 L26 V309 Q315	A24-T311 WeakPolarHBondContact O-CB 3.46Å; A24-T311 VanDerWaalsContact O-CG2 3.26Å; A24-T311 WeakPolarHBondContact O-CG2 3.42Å; A24-T311 PolarHBondContact O-OG1 3.35Å; L26-T311 HydrophobicContact CD2-CG2 4.02Å; V309-T311 HydrophobicContact CB-CG2 4.5Å; V309-T311 HydrophobicContact CG2-CG2 3.92Å; T311-Q315 WeakPolarHBondContact O-CB 3.43Å; T311-Q315 PolarHBondContact O-OE1 2.92Å
312	G	91.1	Very high	96.1	Very high	50 Å²	50	46.6 Å²	46.6	52%	0.515	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.8	-153	-179.5	0	0	0	0	0	112.8	R145	R145-G312 WeakPolarHBondContact CD-O 3.08Å; R145-G312 PolarHBondContact NE-O 3.06Å
313	T	87	Confident	96.1	Very high	128 Å²	128	47.4 Å²	47.4	79%	0.785	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110	-12.3	-174.9	56	0	0	0	0	113.8
314	T	87.9	Confident	96.1	Very high	132 Å²	132	47.1 Å²	47.1	81%	0.81	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.4	-13.3	-178.1	53.5	0	0	0	0	112.9
315	Q	91.1	Very high	96	Very high	92 Å²	92	48.8 Å²	48.8	43%	0.43	29%	0.291	S	S	.	.	S	Bend	trans	-110.6	119.1	177	-55.4	177.8	-29.8	0	0	109.4	R145 K310 T311	R145-Q315 WeakPolarHBondContact CB-O 3.2Å; R145-Q315 VanDerWaalsContact CG-O 3.31Å; R145-Q315 WeakPolarHBondContact CG-O 3.26Å; K310-Q315 HydrophobicContact CB-CB 3.94Å; K310-Q315 HydrophobicContact CG-CB 4.32Å; T311-Q315 WeakPolarHBondContact O-CB 3.43Å; T311-Q315 PolarHBondContact O-OE1 2.92Å
316	G	95.2	Very high	95.9	Very high	30 Å²	30	50.4 Å²	50.4	31%	0.309	30%	0.299	S	S	.	.			trans	60.2	-167.6	177	0	0	0	0	0	114.9	R145 D146	R145-G316 PolarHBondContact NH2-O 3.49Å; R145-G316 VanDerWaalsContact NH2-O 3.14Å; D146-G316 CarbonylContact O-C 3.58Å; D146-G316 WeakPolarHBondContact O-CA 3.31Å
317	E	96.8	Very high	95.4	Very high	10 Å²	10	57.3 Å²	57.3	5%	0.047	32%	0.319	C	S	.	.	B	Isolated β-bridge	trans	-130.8	-178.6	-173.6	65.8	178	179	0	0	113.9	R145 D146 R319 V325 N326 S329	R145-E317 PolarHBondContact NE-O 2.83Å; R145-E317 VanDerWaalsContact NH2-CA 3.26Å; D146-E317 HydrophobicContact CB-CG 4.29Å; D146-E317 WeakPolarHBondContact CB-O 3.23Å; D146-E317 PolarHBondContact N-O 3.22Å; D146-E317 PolarHBondContact O-N 3.36Å; E317-R319 HydrophobicContact CG-CG 3.79Å; E317-R319 WeakPolarHBondContact OE1-CG 3.35Å; E317-V325 WeakPolarHBondContact OE1-CA 3.25Å; E317-V325 WeakPolarHBondContact OE1-CG1 3.46Å; E317-N326 PolarHBondContact OE1-N 2.03Å; E317-N326 WeakPolarHBondContact OE2-CB 3.2Å; E317-N326 VanDerWaalsContact OE2-CG 3.29Å; E317-N326 PolarHBondContact OE2-ND2 3.02Å; E317-S329 WeakPolarHBondContact OE2-CB 3.38Å; E317-S329 PolarHBondContact OE2-OG 3.31Å
318	V	97.9	Very high	94.2	Very high	16 Å²	16	67.5 Å²	67.5	10%	0.097	36%	0.356	C	S	.	.			trans	-110.3	106.4	157	164	0	0	0	0	105.1	V116 N326	V116-V318 WeakPolarHBondContact O-CG1 3.41Å; V318-N326 PolarHBondContact O-ND2 2.87Å
319	R	98.3	Very high	92.7	Very high	0 Å²	0	63.9 Å²	63.9	0%	0	34%	0.343	C	S	.	.			trans	-67.6	139.6	179.6	-77.8	-174.8	-66.8	163.2	-2.8	109.8	A75 K105 D146 E317 C322 V324	A75-R319 PolarHBondContact O-NH2 3.42Å; K105-R319 WeakPolarHBondContact CE-O 3.36Å; K105-R319 PolarHBondContact NZ-O 3.28Å; D146-R319 HydrophobicContact CB-CB 4.42Å; D146-R319 HydrophobicContact CB-CG 3.91Å; D146-R319 PolarHBondContact OD2-N 3.03Å; E317-R319 HydrophobicContact CG-CG 3.79Å; E317-R319 WeakPolarHBondContact OE1-CG 3.35Å; R319-C322 PolarHBondContact NH1-O 3.04Å; R319-V324 VanDerWaalsContact CD-O 3.25Å; R319-V324 WeakPolarHBondContact CD-O 3.47Å
320	L	97.8	Very high	91	Very high	78 Å²	78	65.4 Å²	65.4	41%	0.408	36%	0.357	S	S	.	.	S	Bend	trans	-76.5	-34.2	173.8	-72.8	175.1	0	0	0	111.8	K105 R114 N326	K105-L320 WeakPolarHBondContact CE-O 3.35Å; R114-L320 HydrophobicContact CG-CD2 3.42Å; R114-L320 VanDerWaalsContact CG-CD2 3.42Å; R114-L320 HydrophobicContact CG-CG 4.49Å; L320-N326 PolarHBondContact N-OD1 3.07Å; L320-N326 VanDerWaalsContact N-OD1 3.09Å
321	N	98.3	Very high	89.6	Confident	75 Å²	75	68.1 Å²	68.1	40%	0.401	37%	0.374	S	S	.	.	S	Bend	trans	-128.4	125.3	174.5	174.9	-22.8	0	0	0	107.2	R323 V324	N321-R323 PolarHBondContact O-N 3.09Å; N321-R323 WeakPolarHBondContact OD1-CB 3.45Å; N321-R323 PolarHBondContact OD1-N 3.26Å; N321-V324 HydrophobicContact CB-CG2 4.09Å; N321-V324 PolarHBondContact O-N 2.65Å
322	C	98.8	Very high	88.3	Confident	1 Å²	1	69.5 Å²	69.5	1%	0.007	39%	0.388	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-6.3	-174.5	-60	0	0	0	0	114.7	L78 I101 C118 R319	L78-C322 CarbonylContact C-O 3.5Å; L78-C322 HydrophobicContact CB-CB 4.39Å; L78-C322 WeakPolarHBondContact CB-O 3.27Å; L78-C322 HydrophobicContact CD1-CB 3.87Å; L78-C322 VanDerWaalsContact O-O 3.09Å; I101-C322 HydrophobicContact CG2-CB 4.28Å; C118-C322 HydrophobicContact CB-CB 3.71Å; C118-C322 WeakPolarHBondContact CB-SG 3.39Å; C118-C322 WeakPolarHBondContact SG-CA 3.46Å; C118-C322 WeakPolarHBondContact SG-CB 3.3Å; C118-C322 CovalentContact SG-SG 2.03Å; C118-C322 PolarHBondContact SG-SG 2.99Å; R319-C322 PolarHBondContact NH1-O 3.04Å
323	R	98.5	Very high	87.2	Confident	58 Å²	58	69.9 Å²	69.9	22%	0.219	38%	0.376	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.3	-15.7	179.1	-66.4	172.1	175.7	-84.6	2.4	114.3	L78 I79 D80 F98 D102 N321	L78-R323 WeakPolarHBondContact O-CA 3.46Å; I79-R323 WeakPolarHBondContact CA-O 3.3Å; D80-R323 HydrophobicContact CB-CB 4.4Å; D80-R323 PolarHBondContact N-O 2.86Å; D80-R323 IonicContact OD1-NH1 3.49Å; D80-R323 PolarHBondContact OD1-NH1 2.88Å; D80-R323 WeakPolarHBondContact OD2-CB 3.27Å; D80-R323 WeakPolarHBondContact OD2-CD 3.43Å; D80-R323 VanDerWaalsContact OD2-CG 3.27Å; D80-R323 WeakPolarHBondContact OD2-CG 3.47Å; D80-R323 IonicContact OD2-CZ 3.25Å; D80-R323 IonicContact OD2-NE 3.07Å; D80-R323 IonicContact OD2-NH1 3.57Å; D80-R323 PolarHBondContact OD2-NH1 3.46Å; F98-R323 VanDerWaalsContact CB-NH2 3.27Å; D102-R323 VanDerWaalsContact CG-NE 3.34Å; D102-R323 IonicContact OD1-NE 2.71Å; D102-R323 PolarHBondContact OD1-NE 3.1Å; D102-R323 IonicContact OD2-CZ 2.65Å; D102-R323 IonicContact OD2-NE 2.7Å; D102-R323 PolarHBondContact OD2-NE 3.33Å; D102-R323 IonicContact OD2-NH2 2.82Å; D102-R323 PolarHBondContact OD2-NH2 2.93Å; N321-R323 PolarHBondContact O-N 3.09Å; N321-R323 WeakPolarHBondContact OD1-CB 3.45Å; N321-R323 PolarHBondContact OD1-N 3.26Å
324	V	98	Very high	86.5	Confident	75 Å²	75	69.1 Å²	69.1	46%	0.455	37%	0.367	S	S	.	.	S	Bend	trans	-139.5	141.8	-172.3	-55.1	0	0	0	0	111.4	R319 N321	R319-V324 VanDerWaalsContact CD-O 3.25Å; R319-V324 WeakPolarHBondContact CD-O 3.47Å; N321-V324 HydrophobicContact CB-CG2 4.09Å; N321-V324 PolarHBondContact O-N 2.65Å
325	V	96.9	Very high	85.7	Confident	37 Å²	37	69.3 Å²	69.3	22%	0.224	36%	0.358	C	S	.	.			trans	-66.7	140.8	171.2	-176.4	0	0	0	0	109.1	I79 N148 E317	I79-V325 HydrophobicContact CD1-CG2 3.95Å; N148-V325 HydrophobicContact CB-CG1 3.92Å; N148-V325 HydrophobicContact CB-CG2 4.22Å; N148-V325 WeakPolarHBondContact O-CG2 3.37Å; E317-V325 WeakPolarHBondContact OE1-CA 3.25Å; E317-V325 WeakPolarHBondContact OE1-CG1 3.46Å
326	N	95.9	Very high	84.9	Confident	36 Å²	36	71.1 Å²	71.1	19%	0.193	37%	0.37	C	S	.	.			trans	-68	142.7	175.9	-55.4	-49.7	0	0	0	109.9	E317 V318 L320 R328 S329 A330	E317-N326 PolarHBondContact OE1-N 2.03Å; E317-N326 WeakPolarHBondContact OE2-CB 3.2Å; E317-N326 VanDerWaalsContact OE2-CG 3.29Å; E317-N326 PolarHBondContact OE2-ND2 3.02Å; V318-N326 PolarHBondContact O-ND2 2.87Å; L320-N326 PolarHBondContact N-OD1 3.07Å; L320-N326 VanDerWaalsContact N-OD1 3.09Å; N326-R328 VanDerWaalsContact C-N 3.26Å; N326-R328 PolarHBondContact O-N 2.98Å; N326-S329 PolarHBondContact O-N 3.11Å; N326-A330 PolarHBondContact O-N 2.8Å
327	K	88.3	Confident	84	Confident	183 Å²	183	75.5 Å²	75.5	80%	0.796	38%	0.382	S	S	*	.	H	α-helix	trans	-51.9	-35.4	-176	-68.4	-176.1	176	-175.5	0	115.6	S329 N331	K327-S329 VanDerWaalsContact C-N 3.32Å; K327-N331 PolarHBondContact O-N 3.15Å; K327-N331 PolarHBondContact O-OD1 2.93Å
328	R	73.3	Confident	83	Confident	225 Å²	225	80.3 Å²	80.3	85%	0.849	41%	0.408	S	S	*	.	H	α-helix	trans	-68.3	-34.1	-179.3	-73.7	-173.2	-179.9	-175.8	-1.3	112.5	N326 A332	N326-R328 VanDerWaalsContact C-N 3.26Å; N326-R328 PolarHBondContact O-N 2.98Å; R328-A332 PolarHBondContact O-N 3.16Å
329	S	63.7	Low	82.1	Confident	33 Å²	33	82.2 Å²	82.2	23%	0.231	43%	0.426	C	S	.	.	H	α-helix	trans	-75.8	-36.1	-179.2	-54.3	0	0	0	0	110.9	E317 N326 K327 N331 A332 E333	E317-S329 WeakPolarHBondContact OE2-CB 3.38Å; E317-S329 PolarHBondContact OE2-OG 3.31Å; N326-S329 PolarHBondContact O-N 3.11Å; K327-S329 VanDerWaalsContact C-N 3.32Å; S329-N331 PolarHBondContact O-N 3.08Å; S329-A332 PolarHBondContact O-N 3Å; S329-E333 PolarHBondContact O-N 2.97Å
330	A	63.4	Low	81.2	Confident	46 Å²	46	84.9 Å²	84.9	38%	0.38	45%	0.447	S	S	.	.	H	α-helix	trans	-61	-40.6	173.3	0	0	0	0	0	112.9	N326 L334	N326-A330 PolarHBondContact O-N 2.8Å; A330-L334 PolarHBondContact O-N 2.83Å; A330-L334 VanDerWaalsContact O-N 3.16Å
331	N	68.1	Low	80.3	Confident	101 Å²	101	84.1 Å²	84.1	54%	0.54	45%	0.453	S	S	.	.	H	α-helix	trans	-69.2	-39.6	178	-71.6	10.7	0	0	0	112.6	K327 S329 E333 L334 E335	K327-N331 PolarHBondContact O-N 3.15Å; K327-N331 PolarHBondContact O-OD1 2.93Å; S329-N331 PolarHBondContact O-N 3.08Å; N331-E333 VanDerWaalsContact C-N 3.31Å; N331-E333 PolarHBondContact O-N 2.71Å; N331-L334 PolarHBondContact O-N 2.96Å; N331-E335 WeakPolarHBondContact O-CG 3.28Å; N331-E335 PolarHBondContact O-N 2.94Å
332	A	68.5	Low	79.2	Confident	54 Å²	54	86.7 Å²	86.7	45%	0.446	46%	0.463	S	S	.	.	H	α-helix	trans	-66	-34.6	-179.6	0	0	0	0	0	112.4	R328 S329 L336	R328-A332 PolarHBondContact O-N 3.16Å; S329-A332 PolarHBondContact O-N 3Å; A332-L336 PolarHBondContact O-N 3.13Å; A332-L336 VanDerWaalsContact O-N 3.1Å
333	E	67.5	Low	77.9	Confident	57 Å²	57	92.6 Å²	92.6	27%	0.266	50%	0.495	S	S	.	.	H	α-helix	trans	-72.4	-41.6	175.2	-170.5	161.2	-137.8	0	0	111.7	N148 V149 S329 N331 E335 L336 E337	N148-E333 PolarHBondContact ND2-OE1 3.39Å; N148-E333 PolarHBondContact ND2-OE2 3.2Å; V149-E333 WeakPolarHBondContact CG2-OE1 3.25Å; S329-E333 PolarHBondContact O-N 2.97Å; N331-E333 VanDerWaalsContact C-N 3.31Å; N331-E333 PolarHBondContact O-N 2.71Å; E333-E335 VanDerWaalsContact C-N 3.3Å; E333-E335 PolarHBondContact O-N 3.24Å; E333-L336 WeakPolarHBondContact O-CB 3.46Å; E333-L336 PolarHBondContact O-N 3.47Å; E333-L336 VanDerWaalsContact O-N 3.08Å; E333-E337 PolarHBondContact O-N 2.91Å
334	L	71.5	Confident	76.1	Confident	113 Å²	113	95 Å²	95	59%	0.592	51%	0.513	S	S	*	.	H	α-helix	trans	-61.1	-38.5	173.2	-174.4	65.7	0	0	0	112.2	A330 N331 L336 L338	A330-L334 PolarHBondContact O-N 2.83Å; A330-L334 VanDerWaalsContact O-N 3.16Å; N331-L334 PolarHBondContact O-N 2.96Å; L334-L336 VanDerWaalsContact C-N 3.33Å; L334-L338 VanDerWaalsContact O-CB 3.25Å; L334-L338 WeakPolarHBondContact O-CB 3.22Å; L334-L338 PolarHBondContact O-N 3.35Å
335	E	71.8	Confident	74.2	Confident	136 Å²	136	93.5 Å²	93.5	64%	0.636	51%	0.512	S	S	*	.	H	α-helix	trans	-64.8	-37.2	173.5	-76.1	173.8	-175.8	0	0	111.8	N331 E333 A339	N331-E335 WeakPolarHBondContact O-CG 3.28Å; N331-E335 PolarHBondContact O-N 2.94Å; E333-E335 VanDerWaalsContact C-N 3.3Å; E333-E335 PolarHBondContact O-N 3.24Å; E335-A339 WeakPolarHBondContact O-CB 3.34Å; E335-A339 PolarHBondContact O-N 2.94Å
336	L	74.2	Confident	72.2	Confident	130 Å²	130	97.7 Å²	97.7	68%	0.681	53%	0.533	S	S	*	.	H	α-helix	trans	-72.5	-42	177.9	-162.8	75.5	0	0	0	112.2	A332 E333 L334 A339 A340	A332-L336 PolarHBondContact O-N 3.13Å; A332-L336 VanDerWaalsContact O-N 3.1Å; E333-L336 WeakPolarHBondContact O-CB 3.46Å; E333-L336 PolarHBondContact O-N 3.47Å; E333-L336 VanDerWaalsContact O-N 3.08Å; L334-L336 VanDerWaalsContact C-N 3.33Å; L336-A339 PolarHBondContact O-N 2.86Å; L336-A340 PolarHBondContact O-N 3.41Å
337	E	76.3	Confident	70	Confident	121 Å²	121	103.3 Å²	103.3	57%	0.565	56%	0.558	S	S	*	*	H	α-helix	trans	-63.4	-41.5	174	-75.1	-176.1	163.2	0	0	111.3	E333 A339 A340 A341	E333-E337 PolarHBondContact O-N 2.91Å; E337-A339 VanDerWaalsContact C-N 3.34Å; E337-A339 PolarHBondContact O-N 2.99Å; E337-A340 PolarHBondContact O-N 3.48Å; E337-A341 WeakPolarHBondContact O-CB 3.39Å; E337-A341 PolarHBondContact O-N 3.25Å
338	L	76.4	Confident	68.3	Low	112 Å²	112	100 Å²	100	59%	0.586	55%	0.553	S	S	*	*	H	α-helix	trans	-64.8	-38.9	175.4	-171	66.6	0	0	0	111.4	L334 M342	L334-L338 VanDerWaalsContact O-CB 3.25Å; L334-L338 WeakPolarHBondContact O-CB 3.22Å; L334-L338 PolarHBondContact O-N 3.35Å; L338-M342 VanDerWaalsContact O-CG 3.25Å; L338-M342 WeakPolarHBondContact O-CG 3.39Å; L338-M342 PolarHBondContact O-N 3.15Å; L338-M342 VanDerWaalsContact O-N 3.1Å
339	A	78	Confident	67.4	Low	56 Å²	56	93.1 Å²	93.1	46%	0.463	54%	0.544	S	S	.	.	H	α-helix	trans	-65.9	-41.8	175.4	0	0	0	0	0	112.4	E335 L336 E337 M342 D343	E335-A339 WeakPolarHBondContact O-CB 3.34Å; E335-A339 PolarHBondContact O-N 2.94Å; L336-A339 PolarHBondContact O-N 2.86Å; E337-A339 VanDerWaalsContact C-N 3.34Å; E337-A339 PolarHBondContact O-N 2.99Å; A339-M342 PolarHBondContact O-N 3.16Å; A339-D343 PolarHBondContact O-N 3.08Å; A339-D343 VanDerWaalsContact O-N 3.13Å
340	A	79.5	Confident	66.8	Low	55 Å²	55	95.9 Å²	95.9	46%	0.455	57%	0.569	S	S	.	*	H	α-helix	trans	-65.1	-41.4	176.3	0	0	0	0	0	112	L336 E337 M342 D343 D344	L336-A340 PolarHBondContact O-N 3.41Å; E337-A340 PolarHBondContact O-N 3.48Å; A340-M342 PolarHBondContact O-N 3.41Å; A340-D343 PolarHBondContact O-N 3.14Å; A340-D344 PolarHBondContact O-N 2.97Å; A340-D344 VanDerWaalsContact O-N 3.15Å
341	A	78.5	Confident	65.8	Low	63 Å²	63	101.4 Å²	101.4	52%	0.521	61%	0.605	S	S	.	*	H	α-helix	trans	-66	-26.4	175.9	0	0	0	0	0	113.2	E337 G345	E337-A341 WeakPolarHBondContact O-CB 3.39Å; E337-A341 PolarHBondContact O-N 3.25Å; A341-G345 PolarHBondContact O-N 2.99Å
342	M	76.2	Confident	65.7	Low	128 Å²	128	101.4 Å²	101.4	63%	0.631	61%	0.608	S	S	*	*	H	α-helix	trans	-76.7	-34	173.8	-72.8	178.4	67.8	0	0	112.5	L338 A339 A340 G345 D346	L338-M342 VanDerWaalsContact O-CG 3.25Å; L338-M342 WeakPolarHBondContact O-CG 3.39Å; L338-M342 PolarHBondContact O-N 3.15Å; L338-M342 VanDerWaalsContact O-N 3.1Å; A339-M342 PolarHBondContact O-N 3.16Å; A340-M342 PolarHBondContact O-N 3.41Å; M342-G345 PolarHBondContact O-N 3.43Å; M342-D346 PolarHBondContact O-N 2.79Å
343	D	71	Confident	65.5	Low	125 Å²	125	103.9 Å²	103.9	67%	0.668	62%	0.616	S	S	*	*	H	α-helix	trans	-69.7	-42.3	177.9	-156.5	35.6	0	0	0	111.4	A339 A340 G345 D346	A339-D343 PolarHBondContact O-N 3.08Å; A339-D343 VanDerWaalsContact O-N 3.13Å; A340-D343 PolarHBondContact O-N 3.14Å; D343-G345 PolarHBondContact O-N 3.34Å; D343-D346 PolarHBondContact O-N 3.44Å
344	D	61.6	Low	65.4	Low	110 Å²	110	106.5 Å²	106.5	59%	0.588	64%	0.636	S	S	*	*	H	α-helix	trans	-67.3	-23.5	174	-77.1	-20.7	0	0	0	112.7	A340	A340-D344 PolarHBondContact O-N 2.97Å; A340-D344 VanDerWaalsContact O-N 3.15Å
345	G	57.7	Low	65.1	Low	42 Å²	42	106.1 Å²	106.1	43%	0.433	64%	0.638	S	S	.	*	H	α-helix	trans	-75.8	-30.1	178.4	0	0	0	0	0	114.1	A341 M342 D343	A341-G345 PolarHBondContact O-N 2.99Å; M342-G345 PolarHBondContact O-N 3.43Å; D343-G345 PolarHBondContact O-N 3.34Å
346	D	54.5	Low	64.6	Low	125 Å²	125	104.3 Å²	104.3	67%	0.668	64%	0.638	S	S	*	*	H	α-helix	trans	-81.2	-24.5	178.5	-90	-20.5	0	0	0	112.2	M342 D343 A349	M342-D346 PolarHBondContact O-N 2.79Å; D343-D346 PolarHBondContact O-N 3.44Å; D346-A349 PolarHBondContact O-N 3.36Å
347	E	50.5	Low	64	Low	154 Å²	154	102.5 Å²	102.5	72%	0.72	64%	0.636	S	S	*	*	H	α-helix	trans	-74.4	-26.8	176.3	-151.1	172.8	-164.9	0	0	112.5
348	V	52.9	Low	63.1	Low	114 Å²	114	101.2 Å²	101.2	69%	0.691	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.2	-17	175.2	-176	0	0	0	0	112.5
349	A	53.4	Low	62.1	Low	81 Å²	81	100.4 Å²	100.4	67%	0.669	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.2	-4	176.3	0	0	0	0	0	113.9	D346	D346-A349 PolarHBondContact O-N 3.36Å
350	A	51.3	Low	60.8	Low	90 Å²	90	104.1 Å²	104.1	74%	0.744	66%	0.66	S	S	*	*			trans	-108.5	10.8	-174.6	0	0	0	0	0	115.5
351	S	42.2	Very low	59.1	Low	162 Å²	162	108.5 Å²	108.5	100%	1.133	68%	0.679	S	S	*	*			trans	-115.5	0	175.2	70.4	0	0	0	0	113.2

Retrieved 351 of 351 residues in 1529.3 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).