A0A5K4FB46_SCHMA Loading...

RUN domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FB46, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,399 aa.

						>A0A5K4FB46_SCHMA|A0A5K4FB46
MSGTHNNNDGNDQDIKEDLLKNVKIQVKMLMEETVIRGYVHEDSETIGKLCSSVESVLLYGIRRNIFTWIEEVSTYSLCQKIAKLCPEVQHTLNRIDYYKQMIIKKRNDSDLKRNISPLRNKPNKPLLISNEKLTPSMNFTFWSNEKRMNLLNGRPDTVFQHFWIRVSIYEKVLDKIVKYLADNSLQYYEPWSVIADPCYGLLISDLLRGPCTIDYSHTRTPDHLFTDPPVSELIQRRGIYSGLMSRQLAYVPPISQQLSNQSTEQHDRTDESHLFKQNSEDLFNGNIRNIKQMPTITLNSSMDENDDSDNDNVNKESNHESVDCHPRMPNDTTTTTNNNNRLVNNRIGNVSNTSSQSNWMLKRGSSPSINLSDMPTNRTMRTGSCAFLPQMNEFNSTKLNRNLKSNKDIALAAKEHVESMHQSLRTRLLYGKNNVLMQPSNSSNPIPGYLSLIDNECGKLIILKWTPNSAVTTPQNISTLTNSHNQEFCFSTDSLLDTRVDLDDLNEKETYWGYAVKIKMSDVVYGHYHEFDNQYTLTLIRNDGIQLAPFHFYAQSHVLTFLNCLEQGLKQRGGYLSPSSELDTSSSVTSNFSMKSYRPSMPFIFGNRNSLLPLSISTSTTNNDNKTNSSIISSQNFSSIYDKPSKSNQSLTSSGLKQRIYMNILKAFNHTDDISNEEELQTSYSSPTVCIPEEQCPVQHVYQIVSKTRDGQTMGMNNLNTSSILSNRISLEGITEEIVNESDDVDVQSKNQLSTHEDVFNKFRIKILSHVFRKWYNHFNKLRTVRKKLADLVSPNFLTVDSPTNAEEGVTVEFWNQLMTNSIPQIPFSELCRYIYFEIHSDVWPYLLGLYTWNSTSEQLNEVNIQQKEIYTNALNTWNRVVQYLKQDVRYANFVAMIPPKNDSTESNECLYDTKLLVNNELPLNSTKQSNDVNNTELENHVNNDGGLADIDSSTATLPNETSTSKISNLSTDSHSPINNTAQSQCEFSPNTLELFADNLYRIDKDVTRCDRNHEFFMTPKKETKSSFHNLTDLSSNLIKLRNIISTWVWLHLDIGYIQGMCDLLAPILIIIQDEYKTFACFNCLMKWMLPNFPLIKSSSSSSTKLSPSETPLLLSRSSIEKTINNNSNNNDHTIRRTTLLQMAVNAARRRTITMHSKDNTIDTTNHNNTYSKQLHYDTNTLRCTNKLKETSSSSPSPSASPSSSPSPSAAAATASSSSSSSSSTSSQNVTDVIDETIEQSYQNSNSNRIISPYDKLLLNSNELSIPCMDIRFSFLQSLIEIFDPEMNHHLAKKVPEGQLLFSYRWLLLDFKRELQYNDIFPVWETIWASRQLVTYDFGIFFALALIEYYRDIIIYYNMDITEIIRFYNELTEQHDYVTLLELARSFVFQLQHLMVDR
					

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	31.6	Very low	40	Very low	251 Å²	251	130.5 Å²	130.5	100%	1.236	76%	0.757	S	S	*	*				0	147.6	0	-66.3	168.1	79.8	0	0	107.5
2	S	32	Very low	42.3	Very low	131 Å²	131	123.5 Å²	123.5	92%	0.916	72%	0.715	S	S	*	*			trans	-83.3	140.6	-173.8	39.7	0	0	0	0	112.6
3	G	29	Very low	44.8	Very low	64 Å²	64	119 Å²	119	66%	0.66	68%	0.683	S	S	*	*			trans	180	104.8	175.4	0	0	0	0	0	113.9
4	T	31	Very low	47.1	Very low	142 Å²	142	118.2 Å²	118.2	87%	0.871	68%	0.675	S	S	*	*			trans	44.6	75.5	152	59.3	0	0	0	0	118.9
5	H	30.5	Very low	49.3	Very low	177 Å²	177	114.5 Å²	114.5	82%	0.819	65%	0.652	S	S	*	*			trans	-132.6	103.2	143.5	-104	-82.4	0	0	0	107.7
6	N	33.9	Very low	51.4	Low	138 Å²	138	108.8 Å²	108.8	74%	0.738	62%	0.617	S	S	*	*			trans	171.8	107.1	167.4	-95.8	-18.8	0	0	0	107.1
7	N	39.2	Very low	53.3	Low	159 Å²	159	108.1 Å²	108.1	85%	0.85	61%	0.608	S	S	*	*	S	Bend	trans	166.2	-14.6	158.4	-92	-9.1	0	0	0	113.5
8	N	46.4	Very low	55.1	Low	117 Å²	117	106.5 Å²	106.5	63%	0.626	60%	0.597	S	S	*	*	S	Bend	trans	-88	-35.3	-179.9	-80.4	24.5	0	0	0	113.7	G10 N11 D12	N8-G10 PolarHBondContact O-N 3.19Å; N8-N11 WeakPolarHBondContact O-CB 3.42Å; N8-N11 PolarHBondContact O-N 2.9Å; N8-D12 PolarHBondContact O-N 3.33Å
9	D	49.5	Very low	56.9	Low	108 Å²	108	102.3 Å²	102.3	58%	0.578	57%	0.573	S	S	*	*	H	α-helix	trans	-58.6	-29.8	-162.5	-49.5	-4.6	0	0	0	114.6	Q13	D9-Q13 PolarHBondContact O-N 3.32Å
10	G	53.3	Low	58.4	Low	48 Å²	48	97.5 Å²	97.5	50%	0.495	55%	0.546	S	S	.	.	H	α-helix	trans	-68.9	-38.4	174	0	0	0	0	0	113.3	N8 Q13 D14	N8-G10 PolarHBondContact O-N 3.19Å; G10-Q13 PolarHBondContact O-N 3.27Å; G10-D14 PolarHBondContact O-N 2.74Å
11	N	63.3	Low	59.7	Low	100 Å²	100	98.1 Å²	98.1	54%	0.535	54%	0.543	S	S	.	.	H	α-helix	trans	-70.4	-34.2	-177.9	-166.7	73.1	0	0	0	111.6	N8 I15	N8-N11 WeakPolarHBondContact O-CB 3.42Å; N8-N11 PolarHBondContact O-N 2.9Å; N11-I15 WeakPolarHBondContact O-CD1 3.42Å; N11-I15 WeakPolarHBondContact O-CG1 3.42Å; N11-I15 PolarHBondContact O-N 2.81Å; N11-I15 VanDerWaalsContact O-N 3.13Å
12	D	67.8	Low	62.4	Low	47 Å²	47	89.6 Å²	89.6	25%	0.251	50%	0.503	S	S	.	.	H	α-helix	trans	-70.7	-33.4	174.5	-71.7	-36.4	0	0	0	112.4	N8 K16 Y60	N8-D12 PolarHBondContact O-N 3.33Å; D12-K16 WeakPolarHBondContact O-CG 3.26Å; D12-K16 PolarHBondContact O-N 2.94Å; D12-Y60 PolarHBondContact OD1-OH 3.45Å
13	Q	74.6	Confident	65.1	Low	65 Å²	65	83.4 Å²	83.4	30%	0.304	46%	0.459	S	S	.	.	H	α-helix	trans	-69	-43.8	173.6	-177.6	62.7	19.9	0	0	111.9	D9 G10 I15 K16 E17 Y200	D9-Q13 PolarHBondContact O-N 3.32Å; G10-Q13 PolarHBondContact O-N 3.27Å; Q13-I15 VanDerWaalsContact C-N 3.29Å; Q13-I15 PolarHBondContact O-N 3.49Å; Q13-K16 WeakPolarHBondContact O-CB 3.18Å; Q13-K16 PolarHBondContact O-N 2.9Å; Q13-E17 PolarHBondContact NE2-OE1 2.9Å; Q13-E17 PolarHBondContact O-N 3.35Å; Q13-Y200 PolarHBondContact NE2-OH 2.69Å
14	D	77.3	Confident	67.9	Low	108 Å²	108	84.8 Å²	84.8	58%	0.578	45%	0.447	S	S	*	.	H	α-helix	trans	-57.6	-42.6	174.5	-72.7	-24.1	0	0	0	111.2	G10 E17 D18	G10-D14 PolarHBondContact O-N 2.74Å; D14-E17 PolarHBondContact O-N 3.14Å; D14-D18 PolarHBondContact O-N 3.27Å
15	I	80.4	Confident	70.5	Confident	62 Å²	62	81.6 Å²	81.6	32%	0.318	42%	0.424	S	S	.	.	H	α-helix	trans	-64.6	-42.6	176.4	-68	163.2	0	0	0	111.8	N11 Q13 E17 L19 Y60	N11-I15 WeakPolarHBondContact O-CD1 3.42Å; N11-I15 WeakPolarHBondContact O-CG1 3.42Å; N11-I15 PolarHBondContact O-N 2.81Å; N11-I15 VanDerWaalsContact O-N 3.13Å; Q13-I15 VanDerWaalsContact C-N 3.29Å; Q13-I15 PolarHBondContact O-N 3.49Å; I15-E17 VanDerWaalsContact C-N 3.31Å; I15-E17 PolarHBondContact O-N 3.34Å; I15-L19 HydrophobicContact CG2-CD1 3.91Å; I15-L19 HydrophobicContact CG2-CG 4.39Å; I15-L19 WeakPolarHBondContact O-CB 3.37Å; I15-L19 VanDerWaalsContact O-CG 3.31Å; I15-L19 WeakPolarHBondContact O-CG 3.35Å; I15-L19 PolarHBondContact O-N 3.27Å; I15-Y60 HydrophobicContact CB-CE2 4.49Å; I15-Y60 HydrophobicContact CG2-CD2 4.04Å; I15-Y60 HydrophobicContact CG2-CE2 3.48Å; I15-Y60 VanDerWaalsContact CG2-CE2 3.48Å
16	K	83.6	Confident	73.3	Confident	23 Å²	23	74.4 Å²	74.4	10%	0.1	39%	0.391	C	S	.	.	H	α-helix	trans	-56.9	-45.6	173.8	-77.2	177.9	167.9	-172.1	0	111.4	D12 Q13 L20 Y60 W192 V194 D197 Y200	D12-K16 WeakPolarHBondContact O-CG 3.26Å; D12-K16 PolarHBondContact O-N 2.94Å; Q13-K16 WeakPolarHBondContact O-CB 3.18Å; Q13-K16 PolarHBondContact O-N 2.9Å; K16-L20 WeakPolarHBondContact O-CB 3.42Å; K16-L20 PolarHBondContact O-N 3.38Å; K16-Y60 HydrophobicContact CG-CE1 4.35Å; K16-W192 WeakPolarHBondContact CE-O 3.43Å; K16-V194 HydrophobicContact CB-CG2 4.08Å; K16-V194 HydrophobicContact CG-CG2 3.8Å; K16-D197 IonicContact NZ-OD2 3.07Å; K16-D197 PolarHBondContact NZ-OD2 3.47Å; K16-Y200 HydrophobicContact CB-CD2 4.25Å; K16-Y200 HydrophobicContact CB-CE2 4.01Å; K16-Y200 HydrophobicContact CD-CD2 4.16Å; K16-Y200 HydrophobicContact CD-CE2 4.07Å
17	E	83.3	Confident	75.9	Confident	98 Å²	98	68.2 Å²	68.2	46%	0.458	36%	0.358	S	S	.	.	H	α-helix	trans	-70.8	-40.5	-176.6	-71.8	-169.6	-151.8	0	0	112.5	Q13 D14 I15 L20 K21	Q13-E17 PolarHBondContact NE2-OE1 2.9Å; Q13-E17 PolarHBondContact O-N 3.35Å; D14-E17 PolarHBondContact O-N 3.14Å; I15-E17 VanDerWaalsContact C-N 3.31Å; I15-E17 PolarHBondContact O-N 3.34Å; E17-L20 PolarHBondContact O-N 2.9Å; E17-K21 WeakPolarHBondContact O-CB 3.48Å; E17-K21 PolarHBondContact O-N 2.88Å
18	D	86	Confident	78.1	Confident	79 Å²	79	66 Å²	66	42%	0.422	34%	0.341	S	S	.	.	H	α-helix	trans	-67.7	-37.9	175.3	-103.7	-7.8	0	0	0	112.8	D14 K21 N22	D14-D18 PolarHBondContact O-N 3.27Å; D18-K21 PolarHBondContact O-N 3.19Å; D18-K21 WeakPolarHBondContact OD1-CD 3.41Å; D18-K21 WeakPolarHBondContact OD1-CE 3.28Å; D18-K21 IonicContact OD1-NZ 3.92Å; D18-K21 PolarHBondContact OD1-NZ 3.01Å; D18-N22 WeakPolarHBondContact O-CB 3.16Å; D18-N22 VanDerWaalsContact O-CG 3.26Å; D18-N22 PolarHBondContact O-N 2.9Å; D18-N22 PolarHBondContact O-ND2 3.29Å
19	L	87.8	Confident	79.9	Confident	27 Å²	27	64.3 Å²	64.3	14%	0.141	33%	0.33	C	S	.	.	H	α-helix	trans	-60.8	-48.4	172.1	-76.8	171.8	0	0	0	111.7	I15 K21 N22 V23 V57 Y60 V194	I15-L19 HydrophobicContact CG2-CD1 3.91Å; I15-L19 HydrophobicContact CG2-CG 4.39Å; I15-L19 WeakPolarHBondContact O-CB 3.37Å; I15-L19 VanDerWaalsContact O-CG 3.31Å; I15-L19 WeakPolarHBondContact O-CG 3.35Å; I15-L19 PolarHBondContact O-N 3.27Å; L19-K21 VanDerWaalsContact C-N 3.35Å; L19-K21 PolarHBondContact O-N 3.34Å; L19-N22 PolarHBondContact O-N 2.98Å; L19-V23 PolarHBondContact O-N 3.46Å; L19-V57 HydrophobicContact CB-CG2 4.05Å; L19-Y60 HydrophobicContact CD1-CD1 4.09Å; L19-Y60 HydrophobicContact CD1-CD2 4.03Å; L19-Y60 HydrophobicContact CD1-CG 3.7Å; L19-V194 HydrophobicContact CB-CG2 4.44Å; L19-V194 HydrophobicContact CD1-CG2 4.01Å
20	L	87.1	Confident	81.7	Confident	6 Å²	6	59.2 Å²	59.2	3%	0.031	30%	0.303	C	S	.	.	H	α-helix	trans	-63.3	-39.5	177.5	176.9	62.6	0	0	0	112.3	K16 E17 V23 K24 Y200 L203 I204	K16-L20 WeakPolarHBondContact O-CB 3.42Å; K16-L20 PolarHBondContact O-N 3.38Å; E17-L20 PolarHBondContact O-N 2.9Å; L20-V23 PolarHBondContact O-N 3.27Å; L20-K24 HydrophobicContact CD1-CD 4.46Å; L20-K24 HydrophobicContact CG-CD 4.17Å; L20-K24 WeakPolarHBondContact O-CB 3.47Å; L20-K24 VanDerWaalsContact O-CG 3.3Å; L20-K24 WeakPolarHBondContact O-CG 3.29Å; L20-K24 PolarHBondContact O-N 3.26Å; L20-Y200 HydrophobicContact CD2-CD1 3.62Å; L20-Y200 HydrophobicContact CD2-CE1 3.74Å; L20-Y200 HydrophobicContact CD2-CG 4.16Å; L20-L203 HydrophobicContact CD1-CD2 4.2Å; L20-L203 HydrophobicContact CD2-CD2 4.06Å; L20-I204 HydrophobicContact CD1-CD1 3.94Å; L20-I204 HydrophobicContact CD1-CG1 3.59Å
21	K	86.6	Confident	83.3	Confident	110 Å²	110	59.7 Å²	59.7	48%	0.478	29%	0.293	S	S	.	.	H	α-helix	trans	-64.5	-40.5	176.1	171.4	175.1	147.7	-155.1	0	111.7	E17 D18 L19 K24 I25	E17-K21 WeakPolarHBondContact O-CB 3.48Å; E17-K21 PolarHBondContact O-N 2.88Å; D18-K21 PolarHBondContact O-N 3.19Å; D18-K21 WeakPolarHBondContact OD1-CD 3.41Å; D18-K21 WeakPolarHBondContact OD1-CE 3.28Å; D18-K21 IonicContact OD1-NZ 3.92Å; D18-K21 PolarHBondContact OD1-NZ 3.01Å; L19-K21 VanDerWaalsContact C-N 3.35Å; L19-K21 PolarHBondContact O-N 3.34Å; K21-K24 PolarHBondContact O-N 2.88Å; K21-I25 HydrophobicContact CG-CD1 4.1Å; K21-I25 VanDerWaalsContact O-CG1 3.28Å; K21-I25 WeakPolarHBondContact O-CG1 3.5Å; K21-I25 PolarHBondContact O-N 2.93Å
22	N	87.7	Confident	84.1	Confident	73 Å²	73	57.9 Å²	57.9	39%	0.39	28%	0.281	S	S	.	.	H	α-helix	trans	-62.1	-47.1	174.1	-75.1	-36.5	0	0	0	111.9	D18 L19 K24 I25 Q26	D18-N22 WeakPolarHBondContact O-CB 3.16Å; D18-N22 VanDerWaalsContact O-CG 3.26Å; D18-N22 PolarHBondContact O-N 2.9Å; D18-N22 PolarHBondContact O-ND2 3.29Å; L19-N22 PolarHBondContact O-N 2.98Å; N22-K24 PolarHBondContact O-N 3.39Å; N22-I25 PolarHBondContact O-N 3.21Å; N22-Q26 WeakPolarHBondContact O-CG 3.32Å; N22-Q26 PolarHBondContact O-N 3.39Å
23	V	88.8	Confident	84.7	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-61.5	-44	174.9	-179	0	0	0	0	111.3	L19 L20 I25 Q26 V27 L50 V57 L207	L19-V23 PolarHBondContact O-N 3.46Å; L20-V23 PolarHBondContact O-N 3.27Å; V23-I25 VanDerWaalsContact C-N 3.31Å; V23-I25 PolarHBondContact O-N 3.21Å; V23-Q26 PolarHBondContact O-N 2.85Å; V23-V27 HydrophobicContact CG1-CG2 4.11Å; V23-V27 WeakPolarHBondContact O-CB 3.4Å; V23-V27 WeakPolarHBondContact O-CG2 3.36Å; V23-V27 PolarHBondContact O-N 2.95Å; V23-L50 HydrophobicContact CG1-CD1 4.35Å; V23-V57 HydrophobicContact CG2-CG2 3.8Å; V23-L207 HydrophobicContact CG1-CD2 3.88Å
24	K	87.4	Confident	85.1	Confident	94 Å²	94	54.5 Å²	54.5	41%	0.409	27%	0.265	S	S	.	.	H	α-helix	trans	-57.3	-40.7	175	-75.8	169	178.3	171.1	0	112.7	L20 K21 N22 K28 L207	L20-K24 HydrophobicContact CD1-CD 4.46Å; L20-K24 HydrophobicContact CG-CD 4.17Å; L20-K24 WeakPolarHBondContact O-CB 3.47Å; L20-K24 VanDerWaalsContact O-CG 3.3Å; L20-K24 WeakPolarHBondContact O-CG 3.29Å; L20-K24 PolarHBondContact O-N 3.26Å; K21-K24 PolarHBondContact O-N 2.88Å; N22-K24 PolarHBondContact O-N 3.39Å; K24-K28 VanDerWaalsContact O-CB 3.28Å; K24-K28 WeakPolarHBondContact O-CB 3.42Å; K24-K28 PolarHBondContact O-N 3.35Å; K24-L207 HydrophobicContact CB-CD2 4.45Å; K24-L207 HydrophobicContact CG-CD2 3.68Å
25	I	86.1	Confident	85	Confident	74 Å²	74	55.3 Å²	55.3	38%	0.379	27%	0.274	S	S	.	.	H	α-helix	trans	-66.4	-48.4	176.5	-69.9	163.7	0	0	0	110.8	K21 N22 V23 K28 M29	K21-I25 HydrophobicContact CG-CD1 4.1Å; K21-I25 VanDerWaalsContact O-CG1 3.28Å; K21-I25 WeakPolarHBondContact O-CG1 3.5Å; K21-I25 PolarHBondContact O-N 2.93Å; N22-I25 PolarHBondContact O-N 3.21Å; V23-I25 VanDerWaalsContact C-N 3.31Å; V23-I25 PolarHBondContact O-N 3.21Å; I25-K28 PolarHBondContact O-N 3.4Å; I25-M29 HydrophobicContact CG2-CG 4.46Å; I25-M29 HydrophobicContact CG2-SD 4.02Å; I25-M29 WeakPolarHBondContact O-CG 3.34Å; I25-M29 PolarHBondContact O-N 3.26Å
26	Q	89.3	Confident	84.4	Confident	26 Å²	26	59 Å²	59	12%	0.121	29%	0.293	C	S	.	.	H	α-helix	trans	-68.5	-38.2	-178.1	-59.7	-48.2	-43.3	0	0	112.9	N22 V23 M29 L30 K49 L50 S53	N22-Q26 WeakPolarHBondContact O-CG 3.32Å; N22-Q26 PolarHBondContact O-N 3.39Å; V23-Q26 PolarHBondContact O-N 2.85Å; Q26-M29 PolarHBondContact O-N 3.42Å; Q26-L30 WeakPolarHBondContact O-CB 3.48Å; Q26-L30 PolarHBondContact O-N 2.85Å; Q26-K49 HydrophobicContact CG-CB 4.22Å; Q26-K49 VanDerWaalsContact OE1-CB 3.25Å; Q26-L50 HydrophobicContact CB-CB 4.06Å; Q26-L50 HydrophobicContact CB-CD1 3.99Å; Q26-S53 WeakPolarHBondContact CG-OG 3.42Å
27	V	88.6	Confident	83.6	Confident	8 Å²	8	63.4 Å²	63.4	5%	0.048	31%	0.309	C	S	.	.	H	α-helix	trans	-64.5	-40.6	173.3	173.2	0	0	0	0	111	V23 L30 M31 L50 L207 L208 P211	V23-V27 HydrophobicContact CG1-CG2 4.11Å; V23-V27 WeakPolarHBondContact O-CB 3.4Å; V23-V27 WeakPolarHBondContact O-CG2 3.36Å; V23-V27 PolarHBondContact O-N 2.95Å; V27-L30 PolarHBondContact O-N 3Å; V27-M31 HydrophobicContact CG1-CG 4.5Å; V27-M31 WeakPolarHBondContact O-CB 3.34Å; V27-M31 VanDerWaalsContact O-CG 3.31Å; V27-M31 WeakPolarHBondContact O-CG 3.32Å; V27-M31 PolarHBondContact O-N 2.96Å; V27-L50 HydrophobicContact CG2-CD1 3.5Å; V27-L50 VanDerWaalsContact CG2-CD1 3.5Å; V27-L50 HydrophobicContact CG2-CD2 4.27Å; V27-L207 HydrophobicContact CB-CD1 4.21Å; V27-L207 HydrophobicContact CB-CG 4.26Å; V27-L207 HydrophobicContact CG1-CD1 3.84Å; V27-L207 HydrophobicContact CG1-CG 4.18Å; V27-L207 HydrophobicContact CG2-CD2 4.49Å; V27-L207 HydrophobicContact CG2-CG 4.13Å; V27-L208 HydrophobicContact CG2-CD2 4.29Å; V27-P211 HydrophobicContact CB-CG 4.41Å; V27-P211 HydrophobicContact CG1-CG 3.84Å; V27-P211 HydrophobicContact CG2-CG 3.89Å
28	K	85.4	Confident	82.8	Confident	113 Å²	113	62.2 Å²	62.2	49%	0.491	32%	0.323	S	S	.	.	H	α-helix	trans	-61.4	-46.4	173	-177.2	-178.4	-179.3	-81.9	0	111.7	K24 I25 L30 M31 E32	K24-K28 VanDerWaalsContact O-CB 3.28Å; K24-K28 WeakPolarHBondContact O-CB 3.42Å; K24-K28 PolarHBondContact O-N 3.35Å; I25-K28 PolarHBondContact O-N 3.4Å; K28-L30 VanDerWaalsContact C-N 3.35Å; K28-L30 PolarHBondContact O-N 2.86Å; K28-M31 CarbonylContact O-C 3.57Å; K28-M31 PolarHBondContact O-N 2.8Å; K28-E32 WeakPolarHBondContact CE-OE1 3.44Å; K28-E32 HydrophobicContact CG-CG 4.49Å; K28-E32 IonicContact NZ-OE1 3.21Å; K28-E32 PolarHBondContact NZ-OE1 3.2Å; K28-E32 IonicContact NZ-OE2 2.69Å; K28-E32 PolarHBondContact NZ-OE2 2.82Å; K28-E32 WeakPolarHBondContact O-CG 3.32Å; K28-E32 PolarHBondContact O-N 2.78Å
29	M	84.5	Confident	82.1	Confident	81 Å²	81	61.5 Å²	61.5	40%	0.399	32%	0.315	S	S	.	.	H	α-helix	trans	-62.7	-41.1	178.9	-73.6	-179.8	63.5	0	0	111.9	I25 Q26 M31 E32 E33 T46	I25-M29 HydrophobicContact CG2-CG 4.46Å; I25-M29 HydrophobicContact CG2-SD 4.02Å; I25-M29 WeakPolarHBondContact O-CG 3.34Å; I25-M29 PolarHBondContact O-N 3.26Å; Q26-M29 PolarHBondContact O-N 3.42Å; M29-M31 VanDerWaalsContact C-N 3.33Å; M29-M31 PolarHBondContact O-N 3.16Å; M29-E32 PolarHBondContact O-N 2.81Å; M29-E33 WeakPolarHBondContact O-CB 3.36Å; M29-E33 PolarHBondContact O-N 3.37Å; M29-T46 HydrophobicContact CB-CG2 3.69Å
30	L	86.7	Confident	81.6	Confident	1 Å²	1	60.2 Å²	60.2	1%	0.005	31%	0.308	C	S	.	.	H	α-helix	trans	-65	-38	176.1	-171.8	66.6	0	0	0	111.7	Q26 V27 K28 E33 T34 V40 T46 I47 L50 P211 I214	Q26-L30 WeakPolarHBondContact O-CB 3.48Å; Q26-L30 PolarHBondContact O-N 2.85Å; V27-L30 PolarHBondContact O-N 3Å; K28-L30 VanDerWaalsContact C-N 3.35Å; K28-L30 PolarHBondContact O-N 2.86Å; L30-E33 WeakPolarHBondContact O-CB 3.41Å; L30-E33 PolarHBondContact O-N 2.83Å; L30-T34 PolarHBondContact O-N 3.1Å; L30-V40 HydrophobicContact CD1-CG1 3.89Å; L30-V40 HydrophobicContact CD1-CG2 4.28Å; L30-T46 HydrophobicContact CB-CG2 3.99Å; L30-T46 HydrophobicContact CD1-CG2 4.29Å; L30-I47 HydrophobicContact CD1-CG1 3.75Å; L30-L50 HydrophobicContact CD2-CD2 3.62Å; L30-P211 HydrophobicContact CD2-CB 4.09Å; L30-P211 HydrophobicContact CD2-CG 4.32Å; L30-I214 HydrophobicContact CD2-CD1 3.96Å; L30-I214 HydrophobicContact CG-CD1 4.03Å
31	M	86.4	Confident	80.9	Confident	58 Å²	58	60.7 Å²	60.7	29%	0.286	31%	0.31	S	S	.	.	H	α-helix	trans	-74.9	-25.3	176	-74.4	-67	174.3	0	0	114.2	V27 K28 M29 T34 V35 G210 I214	V27-M31 HydrophobicContact CG1-CG 4.5Å; V27-M31 WeakPolarHBondContact O-CB 3.34Å; V27-M31 VanDerWaalsContact O-CG 3.31Å; V27-M31 WeakPolarHBondContact O-CG 3.32Å; V27-M31 PolarHBondContact O-N 2.96Å; K28-M31 CarbonylContact O-C 3.57Å; K28-M31 PolarHBondContact O-N 2.8Å; M29-M31 VanDerWaalsContact C-N 3.33Å; M29-M31 PolarHBondContact O-N 3.16Å; M31-T34 WeakPolarHBondContact CA-OG1 3.47Å; M31-T34 PolarHBondContact O-OG1 3.31Å; M31-V35 WeakPolarHBondContact O-CB 3.47Å; M31-V35 VanDerWaalsContact O-CG2 3.23Å; M31-V35 WeakPolarHBondContact O-CG2 2.94Å; M31-V35 PolarHBondContact O-N 3.08Å; M31-G210 VanDerWaalsContact CE-CA 3.47Å; M31-G210 WeakPolarHBondContact CE-O 3.33Å; M31-I214 HydrophobicContact CE-CD1 4Å; M31-I214 HydrophobicContact CE-CG1 4.27Å; M31-I214 HydrophobicContact SD-CD1 4.44Å
32	E	81.5	Confident	80.1	Confident	62 Å²	62	55.5 Å²	55.5	29%	0.29	29%	0.288	S	S	.	.	H	α-helix	trans	-78	-31.8	168.7	-72.4	175.7	151.8	0	0	110	K28 M29 I36	K28-E32 WeakPolarHBondContact CE-OE1 3.44Å; K28-E32 HydrophobicContact CG-CG 4.49Å; K28-E32 IonicContact NZ-OE1 3.21Å; K28-E32 PolarHBondContact NZ-OE1 3.2Å; K28-E32 IonicContact NZ-OE2 2.69Å; K28-E32 PolarHBondContact NZ-OE2 2.82Å; K28-E32 WeakPolarHBondContact O-CG 3.32Å; K28-E32 PolarHBondContact O-N 2.78Å; M29-E32 PolarHBondContact O-N 2.81Å; E32-I36 VanDerWaalsContact O-CB 3.29Å; E32-I36 WeakPolarHBondContact O-CB 3.38Å; E32-I36 VanDerWaalsContact O-CD1 3.29Å; E32-I36 WeakPolarHBondContact O-CD1 3.32Å; E32-I36 WeakPolarHBondContact O-CG1 3.39Å; E32-I36 PolarHBondContact O-N 3.2Å
33	E	80.4	Confident	79.1	Confident	20 Å²	20	53.6 Å²	53.6	9%	0.093	28%	0.278	C	S	.	.	H	α-helix	trans	-64.6	-47.9	170.8	-166.7	178.3	170.4	0	0	112.4	M29 L30 V35 I36 R37 V40 S44 T46	M29-E33 WeakPolarHBondContact O-CB 3.36Å; M29-E33 PolarHBondContact O-N 3.37Å; L30-E33 WeakPolarHBondContact O-CB 3.41Å; L30-E33 PolarHBondContact O-N 2.83Å; E33-V35 PolarHBondContact O-N 2.85Å; E33-I36 PolarHBondContact O-N 3.34Å; E33-R37 HydrophobicContact CG-CG 4.47Å; E33-R37 WeakPolarHBondContact O-CB 3.47Å; E33-R37 PolarHBondContact O-N 3.11Å; E33-R37 IonicContact OE1-CZ 2.67Å; E33-R37 IonicContact OE1-NH1 2.74Å; E33-R37 PolarHBondContact OE1-NH1 2.73Å; E33-V40 HydrophobicContact CB-CG2 4.37Å; E33-V40 HydrophobicContact CG-CG2 4.21Å; E33-S44 PolarHBondContact OE1-OG 2.91Å; E33-S44 PolarHBondContact OE2-OG 2.83Å; E33-T46 VanDerWaalsContact OE2-CB 3.25Å; E33-T46 WeakPolarHBondContact OE2-CB 3.39Å; E33-T46 PolarHBondContact OE2-OG1 3.11Å
34	T	82.1	Confident	78.6	Confident	21 Å²	21	54.1 Å²	54.1	13%	0.129	28%	0.281	C	S	.	.	H	α-helix	trans	-57.9	-47.4	175.7	53.5	0	0	0	0	112.1	L30 M31 I36 R37 G38 V40 I214	L30-T34 PolarHBondContact O-N 3.1Å; M31-T34 WeakPolarHBondContact CA-OG1 3.47Å; M31-T34 PolarHBondContact O-OG1 3.31Å; T34-I36 VanDerWaalsContact C-N 3.3Å; T34-I36 PolarHBondContact O-N 3.35Å; T34-R37 PolarHBondContact O-N 3.46Å; T34-G38 WeakPolarHBondContact O-CA 3.27Å; T34-G38 PolarHBondContact O-N 2.84Å; T34-V40 HydrophobicContact CG2-CG2 3.38Å; T34-I214 HydrophobicContact CG2-CB 4.46Å; T34-I214 HydrophobicContact CG2-CD1 3.43Å; T34-I214 VanDerWaalsContact CG2-CD1 3.43Å; T34-I214 HydrophobicContact CG2-CG1 3.72Å; T34-I214 HydrophobicContact CG2-CG2 3.89Å
35	V	74.7	Confident	78.1	Confident	125 Å²	125	56 Å²	56	76%	0.758	29%	0.291	S	S	*	.	H	α-helix	trans	-70.9	-27.1	-175.5	171.3	0	0	0	0	112.1	M31 E33	M31-V35 WeakPolarHBondContact O-CB 3.47Å; M31-V35 VanDerWaalsContact O-CG2 3.23Å; M31-V35 WeakPolarHBondContact O-CG2 2.94Å; M31-V35 PolarHBondContact O-N 3.08Å; E33-V35 PolarHBondContact O-N 2.85Å
36	I	69.2	Low	78	Confident	141 Å²	141	53.3 Å²	53.3	72%	0.723	28%	0.279	S	S	*	.	H	α-helix	trans	-82.1	-34.8	175.5	-69.3	167.9	0	0	0	112	E32 E33 T34	E32-I36 VanDerWaalsContact O-CB 3.29Å; E32-I36 WeakPolarHBondContact O-CB 3.38Å; E32-I36 VanDerWaalsContact O-CD1 3.29Å; E32-I36 WeakPolarHBondContact O-CD1 3.32Å; E32-I36 WeakPolarHBondContact O-CG1 3.39Å; E32-I36 PolarHBondContact O-N 3.2Å; E33-I36 PolarHBondContact O-N 3.34Å; T34-I36 VanDerWaalsContact C-N 3.3Å; T34-I36 PolarHBondContact O-N 3.35Å
37	R	65.4	Low	77.9	Confident	114 Å²	114	52.1 Å²	52.1	43%	0.43	27%	0.273	S	S	.	.	H	α-helix	trans	-105	-11.7	-171.6	-67.2	-176.3	165.7	174.6	-11	115.3	E33 T34 Y39	E33-R37 HydrophobicContact CG-CG 4.47Å; E33-R37 WeakPolarHBondContact O-CB 3.47Å; E33-R37 PolarHBondContact O-N 3.11Å; E33-R37 IonicContact OE1-CZ 2.67Å; E33-R37 IonicContact OE1-NH1 2.74Å; E33-R37 PolarHBondContact OE1-NH1 2.73Å; T34-R37 PolarHBondContact O-N 3.46Å; R37-Y39 VanDerWaalsContact CB-O 3.26Å; R37-Y39 WeakPolarHBondContact CB-O 3.27Å; R37-Y39 WeakPolarHBondContact O-CD1 3.44Å; R37-Y39 PolarHBondContact O-N 2.85Å
38	G	67.4	Low	77.7	Confident	74 Å²	74	52.9 Å²	52.9	76%	0.763	28%	0.283	S	S	*	.	S	Bend	trans	77.1	-37.6	-171.7	0	0	0	0	0	113.8	T34	T34-G38 WeakPolarHBondContact O-CA 3.27Å; T34-G38 PolarHBondContact O-N 2.84Å
39	Y	72.1	Confident	77.7	Confident	63 Å²	63	51.2 Å²	51.2	25%	0.247	28%	0.276	C	S	.	.	S	Bend	trans	-131.7	165.8	176.4	67	-77.5	0	0	0	110.9	R37 H218 Y1357	R37-Y39 VanDerWaalsContact CB-O 3.26Å; R37-Y39 WeakPolarHBondContact CB-O 3.27Å; R37-Y39 WeakPolarHBondContact O-CD1 3.44Å; R37-Y39 PolarHBondContact O-N 2.85Å; Y39-H218 HydrophobicContact CD2-CB 3.9Å; Y39-H218 HydrophobicContact CE2-CB 4.2Å; Y39-Y1357 HydrophobicContact CE1-CD2 4.28Å; Y39-Y1357 WeakPolarHBondContact OH-CD2 3.29Å; Y39-Y1357 WeakPolarHBondContact OH-CE2 3.44Å
40	V	76.1	Confident	78	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	26%	0.257	C	S	.	.			trans	-121.2	132.6	169	-178.9	0	0	0	0	110.3	L30 E33 T34 I47 I214 Y216	L30-V40 HydrophobicContact CD1-CG1 3.89Å; L30-V40 HydrophobicContact CD1-CG2 4.28Å; E33-V40 HydrophobicContact CB-CG2 4.37Å; E33-V40 HydrophobicContact CG-CG2 4.21Å; T34-V40 HydrophobicContact CG2-CG2 3.38Å; V40-I47 HydrophobicContact CG1-CD1 3.85Å; V40-I47 HydrophobicContact CG1-CG1 4.11Å; V40-I214 HydrophobicContact CB-CG2 4.42Å; V40-Y216 HydrophobicContact CB-CD1 4.29Å; V40-Y216 HydrophobicContact CB-CE1 4.27Å; V40-Y216 HydrophobicContact CG1-CE1 4.39Å
41	H	72.6	Confident	78.1	Confident	16 Å²	16	47.4 Å²	47.4	7%	0.074	26%	0.257	C	S	.	.			trans	-80.8	144.3	-176.9	-170.7	-96.1	0	0	0	112.8	D43 S44 I47 H218 T219 R220	H41-D43 VanDerWaalsContact C-N 3.26Å; H41-D43 WeakPolarHBondContact CE1-CB 3.4Å; H41-D43 PolarHBondContact CE1-N 2.89Å; H41-D43 VanDerWaalsContact CE1-N 3.32Å; H41-D43 IonicContact CE1-OD1 3.06Å; H41-D43 PolarHBondContact CE1-OD1 2.88Å; H41-D43 IonicContact CE1-OD2 3.36Å; H41-D43 WeakPolarHBondContact ND1-CB 3.35Å; H41-D43 PolarHBondContact ND1-N 2.97Å; H41-D43 IonicContact ND1-OD1 3.55Å; H41-D43 PolarHBondContact O-N 3.29Å; H41-S44 WeakPolarHBondContact O-CB 3.37Å; H41-S44 PolarHBondContact O-N 3.13Å; H41-I47 WeakPolarHBondContact O-CD1 3.3Å; H41-H218 PolarHBondContact CD2-O 2.93Å; H41-H218 VanDerWaalsContact CD2-O 3.31Å; H41-H218 PolarHBondContact NE2-O 2.78Å; H41-T219 WeakPolarHBondContact NE2-CA 3.38Å; H41-T219 PolarHBondContact NE2-O 3.25Å; H41-R220 WeakPolarHBondContact CE1-CB 3.32Å; H41-R220 WeakPolarHBondContact NE2-CA 3.33Å; H41-R220 WeakPolarHBondContact NE2-CB 3.47Å; H41-R220 PolarHBondContact NE2-N 2.82Å
42	E	69.8	Low	78.1	Confident	2 Å²	2	46.6 Å²	46.6	1%	0.009	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-27.3	179.7	-69.5	-171.3	-138.5	0	0	114.3	S44 M138 N139 R166 Y170 Y216	E42-S44 PolarHBondContact O-N 3.01Å; E42-M138 VanDerWaalsContact OE2-CE 3.25Å; E42-M138 WeakPolarHBondContact OE2-CE 3.49Å; E42-N139 WeakPolarHBondContact OE1-CB 3.33Å; E42-N139 PolarHBondContact OE1-N 2.85Å; E42-R166 PolarHBondContact O-NH1 3.19Å; E42-R166 PolarHBondContact O-NH2 2.83Å; E42-Y170 HydrophobicContact CG-CE1 4.5Å; E42-Y170 PolarHBondContact O-OH 3.04Å; E42-Y216 WeakPolarHBondContact CG-O 3.48Å
43	D	66.7	Low	78.4	Confident	33 Å²	33	44.5 Å²	44.5	18%	0.176	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-5.7	173.8	-75.3	50.1	0	0	0	112.3	H41 E45 F142 R148 R220	H41-D43 VanDerWaalsContact C-N 3.26Å; H41-D43 WeakPolarHBondContact CE1-CB 3.4Å; H41-D43 PolarHBondContact CE1-N 2.89Å; H41-D43 VanDerWaalsContact CE1-N 3.32Å; H41-D43 IonicContact CE1-OD1 3.06Å; H41-D43 PolarHBondContact CE1-OD1 2.88Å; H41-D43 IonicContact CE1-OD2 3.36Å; H41-D43 WeakPolarHBondContact ND1-CB 3.35Å; H41-D43 PolarHBondContact ND1-N 2.97Å; H41-D43 IonicContact ND1-OD1 3.55Å; H41-D43 PolarHBondContact O-N 3.29Å; D43-E45 PolarHBondContact O-N 2.99Å; D43-E45 VanDerWaalsContact O-N 3.14Å; D43-F142 HydrophobicContact CB-CE2 4.43Å; D43-F142 VanDerWaalsContact CG-CD2 3.46Å; D43-F142 VanDerWaalsContact CG-CE2 3.49Å; D43-F142 WeakPolarHBondContact OD1-CD2 3.45Å; D43-F142 WeakPolarHBondContact OD1-CE2 3.34Å; D43-R148 IonicContact OD2-NH1 2.76Å; D43-R148 PolarHBondContact OD2-NH1 3.04Å; D43-R148 VanDerWaalsContact OD2-NH1 3.15Å; D43-R220 IonicContact OD2-NH1 2.83Å; D43-R220 PolarHBondContact OD2-NH1 3.38Å
44	S	78.2	Confident	78.9	Confident	10 Å²	10	43.6 Å²	43.6	7%	0.07	25%	0.245	C	C	.	.			trans	-53.2	122.8	-172.4	170.2	0	0	0	0	111.8	E33 H41 E42 T46 I47 G48 R166	E33-S44 PolarHBondContact OE1-OG 2.91Å; E33-S44 PolarHBondContact OE2-OG 2.83Å; H41-S44 WeakPolarHBondContact O-CB 3.37Å; H41-S44 PolarHBondContact O-N 3.13Å; E42-S44 PolarHBondContact O-N 3.01Å; S44-T46 PolarHBondContact O-N 2.96Å; S44-T46 WeakPolarHBondContact OG-CB 3.48Å; S44-T46 PolarHBondContact OG-N 3.14Å; S44-T46 PolarHBondContact OG-OG1 2.92Å; S44-I47 WeakPolarHBondContact O-CB 3.08Å; S44-I47 PolarHBondContact O-N 2.83Å; S44-I47 VanDerWaalsContact O-N 3.14Å; S44-G48 PolarHBondContact O-N 2.84Å; S44-R166 PolarHBondContact O-NH2 3.43Å
45	E	77.7	Confident	79.2	Confident	133 Å²	133	43.7 Å²	43.7	62%	0.621	24%	0.244	S	C	*	.	H	α-helix	trans	-61.9	-28.6	176.5	-154.4	-157.3	168.5	0	0	110.8	D43 G48 K49	D43-E45 PolarHBondContact O-N 2.99Å; D43-E45 VanDerWaalsContact O-N 3.14Å; E45-G48 WeakPolarHBondContact O-CA 3.49Å; E45-G48 PolarHBondContact O-N 3.39Å; E45-K49 WeakPolarHBondContact O-CG 3.22Å; E45-K49 PolarHBondContact O-N 3.06Å; E45-K49 WeakPolarHBondContact OE1-CE 3.13Å; E45-K49 IonicContact OE1-NZ 3.67Å; E45-K49 PolarHBondContact OE1-NZ 3.11Å; E45-K49 IonicContact OE2-NZ 2.69Å; E45-K49 PolarHBondContact OE2-NZ 3.14Å
46	T	83.9	Confident	79.7	Confident	19 Å²	19	40.7 Å²	40.7	12%	0.117	23%	0.228	C	C	.	.	H	α-helix	trans	-65.3	-40.2	175.8	-36.6	0	0	0	0	111.6	M29 L30 E33 S44 G48 K49 L50	M29-T46 HydrophobicContact CB-CG2 3.69Å; L30-T46 HydrophobicContact CB-CG2 3.99Å; L30-T46 HydrophobicContact CD1-CG2 4.29Å; E33-T46 VanDerWaalsContact OE2-CB 3.25Å; E33-T46 WeakPolarHBondContact OE2-CB 3.39Å; E33-T46 PolarHBondContact OE2-OG1 3.11Å; S44-T46 PolarHBondContact O-N 2.96Å; S44-T46 WeakPolarHBondContact OG-CB 3.48Å; S44-T46 PolarHBondContact OG-N 3.14Å; S44-T46 PolarHBondContact OG-OG1 2.92Å; T46-G48 VanDerWaalsContact C-N 3.32Å; T46-K49 PolarHBondContact O-N 2.9Å; T46-L50 WeakPolarHBondContact O-CB 3.35Å; T46-L50 PolarHBondContact O-N 2.88Å
47	I	86.5	Confident	80.6	Confident	0 Å²	0	34 Å²	34	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-62.1	-43.4	170.8	-59.7	172.4	0	0	0	109.8	L30 V40 H41 S44 L50 C51 R166 Y170 Y216	L30-I47 HydrophobicContact CD1-CG1 3.75Å; V40-I47 HydrophobicContact CG1-CD1 3.85Å; V40-I47 HydrophobicContact CG1-CG1 4.11Å; H41-I47 WeakPolarHBondContact O-CD1 3.3Å; S44-I47 WeakPolarHBondContact O-CB 3.08Å; S44-I47 PolarHBondContact O-N 2.83Å; S44-I47 VanDerWaalsContact O-N 3.14Å; I47-L50 PolarHBondContact O-N 3.1Å; I47-C51 PolarHBondContact O-N 3.47Å; I47-C51 PolarHBondContact O-SG 2.82Å; I47-C51 VanDerWaalsContact O-SG 3.32Å; I47-R166 HydrophobicContact CG2-CG 3.97Å; I47-Y170 HydrophobicContact CD1-CE1 4.26Å; I47-Y216 HydrophobicContact CD1-CD1 3.67Å; I47-Y216 HydrophobicContact CD1-CE1 3.57Å; I47-Y216 HydrophobicContact CG1-CE1 4.11Å
48	G	83.8	Confident	81.6	Confident	25 Å²	25	28.7 Å²	28.7	26%	0.258	18%	0.175	S	C	.	.	H	α-helix	trans	-57.5	-51.3	177.1	0	0	0	0	0	112.4	S44 E45 T46 L50 C51 S52	S44-G48 PolarHBondContact O-N 2.84Å; E45-G48 WeakPolarHBondContact O-CA 3.49Å; E45-G48 PolarHBondContact O-N 3.39Å; T46-G48 VanDerWaalsContact C-N 3.32Å; G48-L50 VanDerWaalsContact C-N 3.34Å; G48-L50 PolarHBondContact O-N 2.99Å; G48-C51 PolarHBondContact O-N 2.69Å; G48-S52 PolarHBondContact O-N 3.34Å; G48-S52 PolarHBondContact O-OG 2.86Å
49	K	85.8	Confident	82.4	Confident	78 Å²	78	28.5 Å²	28.5	34%	0.339	16%	0.155	S	C	.	.	H	α-helix	trans	-62.9	-37.2	178.3	-70	164.1	178.8	166.5	0	112.7	Q26 E45 T46 S53	Q26-K49 HydrophobicContact CG-CB 4.22Å; Q26-K49 VanDerWaalsContact OE1-CB 3.25Å; E45-K49 WeakPolarHBondContact O-CG 3.22Å; E45-K49 PolarHBondContact O-N 3.06Å; E45-K49 WeakPolarHBondContact OE1-CE 3.13Å; E45-K49 IonicContact OE1-NZ 3.67Å; E45-K49 PolarHBondContact OE1-NZ 3.11Å; E45-K49 IonicContact OE2-NZ 2.69Å; E45-K49 PolarHBondContact OE2-NZ 3.14Å; T46-K49 PolarHBondContact O-N 2.9Å; K49-S53 WeakPolarHBondContact O-CB 3.03Å; K49-S53 PolarHBondContact O-N 3.49Å; K49-S53 PolarHBondContact O-OG 3.37Å
50	L	90.2	Very high	83	Confident	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-62.5	-49.8	172.1	178.8	59	0	0	0	111.1	V23 Q26 V27 L30 T46 I47 G48 S52 S53 V54 I169 L208 P211	V23-L50 HydrophobicContact CG1-CD1 4.35Å; Q26-L50 HydrophobicContact CB-CB 4.06Å; Q26-L50 HydrophobicContact CB-CD1 3.99Å; V27-L50 HydrophobicContact CG2-CD1 3.5Å; V27-L50 VanDerWaalsContact CG2-CD1 3.5Å; V27-L50 HydrophobicContact CG2-CD2 4.27Å; L30-L50 HydrophobicContact CD2-CD2 3.62Å; T46-L50 WeakPolarHBondContact O-CB 3.35Å; T46-L50 PolarHBondContact O-N 2.88Å; I47-L50 PolarHBondContact O-N 3.1Å; G48-L50 VanDerWaalsContact C-N 3.34Å; G48-L50 PolarHBondContact O-N 2.99Å; L50-S52 VanDerWaalsContact C-N 3.33Å; L50-S52 PolarHBondContact O-N 3.47Å; L50-S53 WeakPolarHBondContact O-CB 3.29Å; L50-S53 PolarHBondContact O-N 3.38Å; L50-S53 VanDerWaalsContact O-N 3.09Å; L50-V54 HydrophobicContact CD1-CG2 4.08Å; L50-V54 HydrophobicContact CG-CG2 4.46Å; L50-V54 WeakPolarHBondContact O-CG2 3.41Å; L50-V54 PolarHBondContact O-N 2.88Å; L50-I169 HydrophobicContact CD2-CD1 4.49Å; L50-L208 HydrophobicContact CD1-CD2 4.2Å; L50-P211 HydrophobicContact CD2-CB 4.03Å; L50-P211 HydrophobicContact CD2-CG 4Å
51	C	89.3	Confident	83	Confident	1 Å²	1	27.4 Å²	27.4	1%	0.007	15%	0.153	C	C	.	.	H	α-helix	trans	-58.5	-42	178.7	-70.2	0	0	0	0	112.7	I47 G48 V54 E55 H162 I165	I47-C51 PolarHBondContact O-N 3.47Å; I47-C51 PolarHBondContact O-SG 2.82Å; I47-C51 VanDerWaalsContact O-SG 3.32Å; G48-C51 PolarHBondContact O-N 2.69Å; C51-V54 PolarHBondContact O-N 3.19Å; C51-E55 WeakPolarHBondContact O-CB 3.36Å; C51-E55 PolarHBondContact O-N 2.79Å; C51-H162 HydrophobicContact CB-CB 3.7Å; C51-I165 HydrophobicContact CB-CB 4.42Å; C51-I165 HydrophobicContact CB-CG2 4.17Å
52	S	86.1	Confident	83.4	Confident	41 Å²	41	27.4 Å²	27.4	29%	0.287	15%	0.154	S	C	.	.	H	α-helix	trans	-65.7	-35.2	174.5	-58.1	0	0	0	0	113.5	G48 L50 S56 H162	G48-S52 PolarHBondContact O-N 3.34Å; G48-S52 PolarHBondContact O-OG 2.86Å; L50-S52 VanDerWaalsContact C-N 3.33Å; L50-S52 PolarHBondContact O-N 3.47Å; S52-S56 WeakPolarHBondContact O-CB 3.42Å; S52-S56 PolarHBondContact O-N 3.09Å; S52-S56 PolarHBondContact O-OG 2.86Å; S52-H162 VanDerWaalsContact CA-CD2 3.48Å; S52-H162 WeakPolarHBondContact CA-CD2 3.4Å; S52-H162 PolarHBondContact OG-CE1 3.05Å; S52-H162 PolarHBondContact OG-NE2 3.48Å
53	S	89.6	Confident	83.6	Confident	19 Å²	19	30.4 Å²	30.4	13%	0.133	17%	0.165	C	C	.	.	H	α-helix	trans	-68.6	-39.3	175.5	-56.2	0	0	0	0	111.5	Q26 K49 L50 S56 V57	Q26-S53 WeakPolarHBondContact CG-OG 3.42Å; K49-S53 WeakPolarHBondContact O-CB 3.03Å; K49-S53 PolarHBondContact O-N 3.49Å; K49-S53 PolarHBondContact O-OG 3.37Å; L50-S53 WeakPolarHBondContact O-CB 3.29Å; L50-S53 PolarHBondContact O-N 3.38Å; L50-S53 VanDerWaalsContact O-N 3.09Å; S53-S56 PolarHBondContact O-N 3.23Å; S53-V57 PolarHBondContact O-N 2.56Å; S53-V57 VanDerWaalsContact O-N 3.17Å
54	V	89.7	Confident	83.2	Confident	1 Å²	1	39.2 Å²	39.2	1%	0.006	20%	0.196	C	C	.	.	H	α-helix	trans	-69.8	-43.4	175.7	175.4	0	0	0	0	111.4	L50 C51 S56 V57 L58 I165 L174 L208	L50-V54 HydrophobicContact CD1-CG2 4.08Å; L50-V54 HydrophobicContact CG-CG2 4.46Å; L50-V54 WeakPolarHBondContact O-CG2 3.41Å; L50-V54 PolarHBondContact O-N 2.88Å; C51-V54 PolarHBondContact O-N 3.19Å; V54-S56 VanDerWaalsContact C-N 3.29Å; V54-S56 PolarHBondContact O-N 3.24Å; V54-V57 PolarHBondContact O-N 3.26Å; V54-L58 HydrophobicContact CG1-CD1 3.86Å; V54-L58 HydrophobicContact CG1-CG 4.2Å; V54-L58 WeakPolarHBondContact O-CB 3.4Å; V54-L58 VanDerWaalsContact O-CG 3.32Å; V54-L58 WeakPolarHBondContact O-CG 3.43Å; V54-L58 PolarHBondContact O-N 3.04Å; V54-I165 HydrophobicContact CB-CG2 4.34Å; V54-I165 HydrophobicContact CG1-CD1 4.38Å; V54-I165 HydrophobicContact CG1-CG2 4.17Å; V54-L174 HydrophobicContact CG1-CD2 4.4Å; V54-L208 HydrophobicContact CG1-CD1 4.32Å; V54-L208 HydrophobicContact CG2-CD1 4.05Å; V54-L208 HydrophobicContact CG2-CD2 3.76Å
55	E	88.2	Confident	82	Confident	22 Å²	22	45.3 Å²	45.3	10%	0.103	23%	0.227	C	C	.	.	H	α-helix	trans	-59.3	-40.9	173.7	-178.3	129.3	-136.5	0	0	111.2	C51 V57 L58 L59 T75 H162 I165	C51-E55 WeakPolarHBondContact O-CB 3.36Å; C51-E55 PolarHBondContact O-N 2.79Å; E55-V57 PolarHBondContact O-N 3.33Å; E55-L58 PolarHBondContact O-N 2.69Å; E55-L59 HydrophobicContact CG-CD1 3.73Å; E55-L59 HydrophobicContact CG-CG 4.19Å; E55-L59 WeakPolarHBondContact O-CB 3.31Å; E55-L59 VanDerWaalsContact O-CG 3.3Å; E55-L59 WeakPolarHBondContact O-CG 3.27Å; E55-L59 PolarHBondContact O-N 3.02Å; E55-T75 HydrophobicContact CG-CG2 3.93Å; E55-T75 WeakPolarHBondContact OE1-CB 3.07Å; E55-T75 VanDerWaalsContact OE1-CG2 3.22Å; E55-T75 WeakPolarHBondContact OE1-CG2 3.23Å; E55-T75 PolarHBondContact OE1-OG1 2.61Å; E55-H162 WeakPolarHBondContact OE2-CA 3.35Å; E55-H162 IonicContact OE2-CD2 2.76Å; E55-H162 PolarHBondContact OE2-CD2 3.11Å; E55-H162 IonicContact OE2-CG 2.73Å; E55-H162 PolarHBondContact OE2-N 3.43Å; E55-H162 IonicContact OE2-NE2 3.47Å; E55-I165 HydrophobicContact CB-CD1 3.69Å
56	S	85.6	Confident	80.9	Confident	62 Å²	62	39.9 Å²	39.9	43%	0.434	20%	0.202	S	C	.	.	H	α-helix	trans	-61.2	-40.7	176.7	-58.4	0	0	0	0	112.8	S52 S53 V54 Y60	S52-S56 WeakPolarHBondContact O-CB 3.42Å; S52-S56 PolarHBondContact O-N 3.09Å; S52-S56 PolarHBondContact O-OG 2.86Å; S53-S56 PolarHBondContact O-N 3.23Å; V54-S56 VanDerWaalsContact C-N 3.29Å; V54-S56 PolarHBondContact O-N 3.24Å; S56-Y60 PolarHBondContact O-N 3.28Å
57	V	87.5	Confident	79.5	Confident	1 Å²	1	39.8 Å²	39.8	1%	0.006	20%	0.201	C	C	.	.	H	α-helix	trans	-65	-47	172.1	165.5	0	0	0	0	111.3	L19 V23 S53 V54 E55 L59 Y60 V194 I195 I204	L19-V57 HydrophobicContact CB-CG2 4.05Å; V23-V57 HydrophobicContact CG2-CG2 3.8Å; S53-V57 PolarHBondContact O-N 2.56Å; S53-V57 VanDerWaalsContact O-N 3.17Å; V54-V57 PolarHBondContact O-N 3.26Å; E55-V57 PolarHBondContact O-N 3.33Å; V57-L59 VanDerWaalsContact C-N 3.3Å; V57-L59 PolarHBondContact O-N 3.07Å; V57-Y60 PolarHBondContact O-N 2.86Å; V57-V194 HydrophobicContact CG1-CB 4.3Å; V57-V194 HydrophobicContact CG1-CG1 3.97Å; V57-I195 HydrophobicContact CG1-CD1 3.76Å; V57-I195 HydrophobicContact CG1-CG1 4.12Å; V57-I204 HydrophobicContact CG1-CD1 3.76Å; V57-I204 HydrophobicContact CG2-CD1 4.2Å
58	L	86.7	Confident	77.8	Confident	3 Å²	3	44.6 Å²	44.6	2%	0.016	23%	0.23	C	C	.	.	H	α-helix	trans	-68.1	-26.9	-177.1	-70.7	177.9	0	0	0	113	V54 E55 I62 T75 W164 I165 L181 Y189 I195	V54-L58 HydrophobicContact CG1-CD1 3.86Å; V54-L58 HydrophobicContact CG1-CG 4.2Å; V54-L58 WeakPolarHBondContact O-CB 3.4Å; V54-L58 VanDerWaalsContact O-CG 3.32Å; V54-L58 WeakPolarHBondContact O-CG 3.43Å; V54-L58 PolarHBondContact O-N 3.04Å; E55-L58 PolarHBondContact O-N 2.69Å; L58-I62 WeakPolarHBondContact O-CD1 3.44Å; L58-I62 WeakPolarHBondContact O-CG1 3.4Å; L58-T75 HydrophobicContact CB-CG2 3.86Å; L58-W164 HydrophobicContact CD1-CH2 3.76Å; L58-W164 HydrophobicContact CD1-CZ2 3.75Å; L58-I165 HydrophobicContact CD1-CD1 4.45Å; L58-L181 HydrophobicContact CD2-CD1 3.75Å; L58-Y189 VanDerWaalsContact O-CE1 3.31Å; L58-Y189 WeakPolarHBondContact O-CE1 3.3Å; L58-Y189 PolarHBondContact O-OH 3.2Å; L58-Y189 VanDerWaalsContact O-OH 3.09Å; L58-I195 HydrophobicContact CD2-CD1 4.32Å; L58-I195 HydrophobicContact CD2-CG1 4.34Å
59	L	84.9	Confident	76.1	Confident	69 Å²	69	54.9 Å²	54.9	36%	0.361	26%	0.261	S	S	.	.	H	α-helix	trans	-79.5	-25.8	173.8	-71.7	170.7	0	0	0	113.1	E55 V57 G61 I62 V73 T75	E55-L59 HydrophobicContact CG-CD1 3.73Å; E55-L59 HydrophobicContact CG-CG 4.19Å; E55-L59 WeakPolarHBondContact O-CB 3.31Å; E55-L59 VanDerWaalsContact O-CG 3.3Å; E55-L59 WeakPolarHBondContact O-CG 3.27Å; E55-L59 PolarHBondContact O-N 3.02Å; V57-L59 VanDerWaalsContact C-N 3.3Å; V57-L59 PolarHBondContact O-N 3.07Å; L59-G61 PolarHBondContact O-N 3.29Å; L59-I62 HydrophobicContact CD2-CD1 4.01Å; L59-I62 PolarHBondContact O-N 2.89Å; L59-V73 HydrophobicContact CD2-CG1 4.37Å; L59-V73 WeakPolarHBondContact CD2-O 3.3Å; L59-T75 HydrophobicContact CD2-CG2 3.73Å; L59-T75 HydrophobicContact CG-CG2 3.75Å
60	Y	84.5	Confident	74.1	Confident	34 Å²	34	55.3 Å²	55.3	13%	0.133	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	103.7	-174.7	-175.5	-100.6	0	0	0	111.7	D12 I15 K16 L19 S56 V57 W192 S193 V194	D12-Y60 PolarHBondContact OD1-OH 3.45Å; I15-Y60 HydrophobicContact CB-CE2 4.49Å; I15-Y60 HydrophobicContact CG2-CD2 4.04Å; I15-Y60 HydrophobicContact CG2-CE2 3.48Å; I15-Y60 VanDerWaalsContact CG2-CE2 3.48Å; K16-Y60 HydrophobicContact CG-CE1 4.35Å; L19-Y60 HydrophobicContact CD1-CD1 4.09Å; L19-Y60 HydrophobicContact CD1-CD2 4.03Å; L19-Y60 HydrophobicContact CD1-CG 3.7Å; S56-Y60 PolarHBondContact O-N 3.28Å; V57-Y60 PolarHBondContact O-N 2.86Å; Y60-W192 HydrophobicContact CD1-CZ3 4.46Å; Y60-W192 HydrophobicContact CD2-CZ3 4.39Å; Y60-W192 AromaticContact CE1-CE3 3.88Å; Y60-W192 HydrophobicContact CE1-CE3 3.88Å; Y60-W192 HydrophobicContact CE1-CZ3 4.09Å; Y60-W192 HydrophobicContact CE2-CE3 4.42Å; Y60-W192 AromaticContact CE2-CZ3 3.97Å; Y60-W192 HydrophobicContact CE2-CZ3 3.97Å; Y60-W192 AromaticContact CZ-CE3 3.8Å; Y60-W192 AromaticContact CZ-CZ3 3.83Å; Y60-S193 VanDerWaalsContact O-CB 3.3Å; Y60-S193 WeakPolarHBondContact O-CB 3.5Å; Y60-S193 PolarHBondContact O-OG 2.77Å; Y60-V194 HydrophobicContact CD1-CG2 3.82Å; Y60-V194 HydrophobicContact CE1-CG2 4.27Å
61	G	75.9	Confident	72.2	Confident	7 Å²	7	65.1 Å²	65.1	7%	0.072	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	86.4	20.2	176	0	0	0	0	0	116	L59 R63 Y189 E190 W192	L59-G61 PolarHBondContact O-N 3.29Å; G61-R63 PolarHBondContact O-N 3.35Å; G61-Y189 CarbonylContact O-C 3.58Å; G61-Y189 WeakPolarHBondContact O-CA 3.28Å; G61-E190 PolarHBondContact O-N 3.21Å; G61-W192 VanDerWaalsContact CA-CZ3 3.47Å
62	I	80.7	Confident	70.4	Confident	16 Å²	16	72 Å²	72	8%	0.082	34%	0.344	C	S	.	.	B	Isolated β-bridge	trans	-61.9	135.6	168.9	-51.6	174.3	0	0	0	109.7	L58 L59 R64 I66 F67 V73 L78 Y189	L58-I62 WeakPolarHBondContact O-CD1 3.44Å; L58-I62 WeakPolarHBondContact O-CG1 3.4Å; L59-I62 HydrophobicContact CD2-CD1 4.01Å; L59-I62 PolarHBondContact O-N 2.89Å; I62-R64 PolarHBondContact O-N 2.82Å; I62-I66 HydrophobicContact CG2-CD1 3.79Å; I62-F67 HydrophobicContact CB-CE2 4.47Å; I62-F67 HydrophobicContact CD1-CZ 4.4Å; I62-F67 HydrophobicContact CG2-CE2 3.58Å; I62-F67 HydrophobicContact CG2-CZ 3.91Å; I62-V73 HydrophobicContact CD1-CG1 4.49Å; I62-L78 HydrophobicContact CD1-CD2 4.27Å; I62-Y189 HydrophobicContact CB-CE1 4.47Å; I62-Y189 HydrophobicContact CG1-CD1 4.24Å; I62-Y189 HydrophobicContact CG1-CE1 3.66Å
63	R	73.3	Confident	69	Low	65 Å²	65	73.9 Å²	73.9	25%	0.245	35%	0.354	C	S	.	.			trans	-65.4	121.7	175.1	-61.5	-137.1	176.4	93	4.4	111.8	G61 N65 I66 L186 Q187 Y188 Y189 E190	G61-R63 PolarHBondContact O-N 3.35Å; R63-N65 PolarHBondContact O-N 2.89Å; R63-N65 VanDerWaalsContact O-N 3.13Å; R63-I66 HydrophobicContact CB-CD1 3.85Å; R63-I66 HydrophobicContact CB-CG1 4.16Å; R63-I66 VanDerWaalsContact O-CB 3.3Å; R63-I66 WeakPolarHBondContact O-CB 3.45Å; R63-I66 WeakPolarHBondContact O-CD1 3.48Å; R63-I66 WeakPolarHBondContact O-CG1 3.36Å; R63-I66 PolarHBondContact O-N 3.14Å; R63-L186 PolarHBondContact NH1-O 3.49Å; R63-L186 PolarHBondContact NH2-O 3.16Å; R63-L186 VanDerWaalsContact NH2-O 3.17Å; R63-Q187 PolarHBondContact NH1-O 3.47Å; R63-Y188 PolarHBondContact N-O 3.33Å; R63-Y189 PolarHBondContact NE-O 3.45Å; R63-Y189 PolarHBondContact NH2-O 2.78Å; R63-E190 VanDerWaalsContact CD-CD 3.47Å; R63-E190 WeakPolarHBondContact CD-OE1 3.27Å; R63-E190 WeakPolarHBondContact CD-OE2 3.34Å; R63-E190 VanDerWaalsContact CG-CD 3.5Å; R63-E190 HydrophobicContact CG-CG 4.12Å; R63-E190 VanDerWaalsContact CG-OE1 3.27Å; R63-E190 WeakPolarHBondContact CG-OE1 3.18Å; R63-E190 IonicContact CZ-OE2 3.37Å; R63-E190 VanDerWaalsContact NE-CD 3.34Å; R63-E190 IonicContact NE-OE1 2.65Å; R63-E190 IonicContact NE-OE2 3.7Å; R63-E190 PolarHBondContact NE-OE2 2.73Å; R63-E190 IonicContact NH2-OE2 2.73Å
64	R	58.5	Low	68	Low	217 Å²	217	74.6 Å²	74.6	82%	0.819	36%	0.359	S	S	*	.	G	3₁₀ helix	trans	-56.8	-31.9	179.5	-65.8	-176.6	179.4	123.7	1.2	113.7	I62 I66 F67	I62-R64 PolarHBondContact O-N 2.82Å; R64-I66 PolarHBondContact O-N 3.36Å; R64-F67 PolarHBondContact O-N 3.44Å
65	N	54	Low	67.4	Low	138 Å²	138	74.6 Å²	74.6	74%	0.738	36%	0.359	S	S	*	.	G	3₁₀ helix	trans	-64.6	-2.8	178	-71	-2.6	0	0	0	114.6	R63	R63-N65 PolarHBondContact O-N 2.89Å; R63-N65 VanDerWaalsContact O-N 3.13Å
66	I	54	Low	67	Low	19 Å²	19	76.4 Å²	76.4	10%	0.097	37%	0.365	C	S	.	.	G	3₁₀ helix	trans	-76.4	-27.2	178	-71.8	168.4	0	0	0	112.5	I62 R63 R64 L78 K81 Y188	I62-I66 HydrophobicContact CG2-CD1 3.79Å; R63-I66 HydrophobicContact CB-CD1 3.85Å; R63-I66 HydrophobicContact CB-CG1 4.16Å; R63-I66 VanDerWaalsContact O-CB 3.3Å; R63-I66 WeakPolarHBondContact O-CB 3.45Å; R63-I66 WeakPolarHBondContact O-CD1 3.48Å; R63-I66 WeakPolarHBondContact O-CG1 3.36Å; R63-I66 PolarHBondContact O-N 3.14Å; R64-I66 PolarHBondContact O-N 3.36Å; I66-L78 HydrophobicContact CG2-CD1 4.48Å; I66-K81 HydrophobicContact CG2-CD 3.79Å; I66-K81 PolarHBondContact O-NZ 2.79Å; I66-Y188 HydrophobicContact CD1-CD1 4.33Å; I66-Y188 WeakPolarHBondContact CD1-O 3.29Å
67	F	55.1	Low	66.5	Low	18 Å²	18	74.2 Å²	74.2	8%	0.079	35%	0.349	C	S	.	.			trans	-114.4	31.8	-167.2	-50.4	-78.4	0	0	0	113.6	I62 R64 W69 I70 V73 L78	I62-F67 HydrophobicContact CB-CE2 4.47Å; I62-F67 HydrophobicContact CD1-CZ 4.4Å; I62-F67 HydrophobicContact CG2-CE2 3.58Å; I62-F67 HydrophobicContact CG2-CZ 3.91Å; R64-F67 PolarHBondContact O-N 3.44Å; F67-W69 PolarHBondContact O-N 2.82Å; F67-I70 PolarHBondContact O-N 3.31Å; F67-I70 VanDerWaalsContact O-O 3.12Å; F67-V73 HydrophobicContact CD2-CG1 4.18Å; F67-V73 HydrophobicContact CD2-CG2 4.18Å; F67-V73 HydrophobicContact CE2-CG1 3.75Å; F67-V73 HydrophobicContact CZ-CG1 4.31Å; F67-L78 HydrophobicContact CZ-CB 4.36Å
68	T	50.6	Low	66.2	Low	101 Å²	101	74.3 Å²	74.3	62%	0.62	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	5.6	-172.2	43.9	0	0	0	0	116.8
69	W	47.1	Very low	65.9	Low	241 Å²	241	74.5 Å²	74.5	91%	0.913	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-139.1	11	180	-59	75.2	0	0	0	113	F67	F67-W69 PolarHBondContact O-N 2.82Å
70	I	44.8	Very low	65.7	Low	86 Å²	86	75.6 Å²	75.6	44%	0.441	36%	0.355	S	S	.	.			trans	-137.6	126.6	-178.6	-58.1	177.7	0	0	0	108.2	F67 E72	F67-I70 PolarHBondContact O-N 3.31Å; F67-I70 VanDerWaalsContact O-O 3.12Å; I70-E72 VanDerWaalsContact C-N 3.32Å; I70-E72 PolarHBondContact O-N 3.29Å
71	E	49.2	Very low	65.5	Low	207 Å²	207	78.9 Å²	78.9	97%	0.967	37%	0.37	S	S	*	.	S	Bend	trans	-74.6	-15.5	-171.6	-68.6	-175.9	114.4	0	0	114.8
72	E	51.5	Low	65.9	Low	145 Å²	145	78.7 Å²	78.7	68%	0.678	37%	0.367	S	S	*	.	S	Bend	trans	-114.7	130.1	179.3	-63.9	-166.3	157.3	0	0	113	I70 S74	I70-E72 VanDerWaalsContact C-N 3.32Å; I70-E72 PolarHBondContact O-N 3.29Å; E72-S74 VanDerWaalsContact C-N 3.31Å; E72-S74 PolarHBondContact O-N 3.44Å
73	V	56.9	Low	66	Low	81 Å²	81	78.3 Å²	78.3	49%	0.491	37%	0.366	S	S	.	.			trans	-79.4	78.8	174.8	-179	0	0	0	0	109.1	L59 I62 F67	L59-V73 HydrophobicContact CD2-CG1 4.37Å; L59-V73 WeakPolarHBondContact CD2-O 3.3Å; I62-V73 HydrophobicContact CD1-CG1 4.49Å; F67-V73 HydrophobicContact CD2-CG1 4.18Å; F67-V73 HydrophobicContact CD2-CG2 4.18Å; F67-V73 HydrophobicContact CE2-CG1 3.75Å; F67-V73 HydrophobicContact CZ-CG1 4.31Å
74	S	68.8	Low	66.2	Low	33 Å²	33	84.2 Å²	84.2	23%	0.231	39%	0.394	C	S	.	.			trans	-96.9	144.4	176.5	82.8	0	0	0	0	112.2	E72 Y76 S77 L78	E72-S74 VanDerWaalsContact C-N 3.31Å; E72-S74 PolarHBondContact O-N 3.44Å; S74-Y76 PolarHBondContact O-N 3.19Å; S74-S77 PolarHBondContact O-N 3.33Å; S74-S77 WeakPolarHBondContact OG-CB 3.12Å; S74-S77 PolarHBondContact OG-N 3.48Å; S74-S77 PolarHBondContact OG-OG 2.91Å; S74-L78 PolarHBondContact O-N 3.01Å
75	T	77.6	Confident	67.2	Low	1 Å²	1	78.9 Å²	78.9	1%	0.006	38%	0.381	C	S	.	.	H	α-helix	trans	-64	-28.1	171.2	59.8	0	0	0	0	111.9	E55 L58 L59 S77 L78 C79 W164	E55-T75 HydrophobicContact CG-CG2 3.93Å; E55-T75 WeakPolarHBondContact OE1-CB 3.07Å; E55-T75 VanDerWaalsContact OE1-CG2 3.22Å; E55-T75 WeakPolarHBondContact OE1-CG2 3.23Å; E55-T75 PolarHBondContact OE1-OG1 2.61Å; L58-T75 HydrophobicContact CB-CG2 3.86Å; L59-T75 HydrophobicContact CD2-CG2 3.73Å; L59-T75 HydrophobicContact CG-CG2 3.75Å; T75-S77 PolarHBondContact O-N 3.03Å; T75-L78 WeakPolarHBondContact O-CB 3.44Å; T75-L78 PolarHBondContact O-N 3.31Å; T75-C79 PolarHBondContact O-N 2.91Å; T75-C79 PolarHBondContact O-SG 2.9Å; T75-C79 VanDerWaalsContact O-SG 3.37Å; T75-W164 PolarHBondContact OG1-NE1 2.94Å
76	Y	79.3	Confident	68.6	Low	61 Å²	61	72.5 Å²	72.5	24%	0.239	35%	0.347	C	S	.	.	H	α-helix	trans	-61.8	-41	174.3	-178.6	-103.2	0	0	0	112.4	S74 L78 C79 Q80 L93 I96 K100 W164	S74-Y76 PolarHBondContact O-N 3.19Å; Y76-L78 VanDerWaalsContact C-N 3.3Å; Y76-L78 PolarHBondContact O-N 2.96Å; Y76-C79 WeakPolarHBondContact O-CB 3.23Å; Y76-C79 PolarHBondContact O-N 2.87Å; Y76-Q80 HydrophobicContact CD1-CG 4.31Å; Y76-Q80 HydrophobicContact CE1-CG 4.03Å; Y76-Q80 WeakPolarHBondContact O-CG 3.33Å; Y76-Q80 PolarHBondContact O-N 2.93Å; Y76-L93 HydrophobicContact CD2-CD2 4.28Å; Y76-L93 HydrophobicContact CE2-CD2 3.56Å; Y76-I96 HydrophobicContact CE2-CD1 4.26Å; Y76-I96 HydrophobicContact CE2-CG2 4.33Å; Y76-K100 PolarHBondContact OH-NZ 3.08Å; Y76-W164 HydrophobicContact CD2-CB 4.08Å; Y76-W164 HydrophobicContact CD2-CG 4.26Å
77	S	75.6	Confident	70.1	Confident	15 Å²	15	76.1 Å²	76.1	11%	0.105	37%	0.371	C	S	.	.	H	α-helix	trans	-67.1	-29.6	175.5	-61.5	0	0	0	0	112.6	S74 T75 K81	S74-S77 PolarHBondContact O-N 3.33Å; S74-S77 WeakPolarHBondContact OG-CB 3.12Å; S74-S77 PolarHBondContact OG-N 3.48Å; S74-S77 PolarHBondContact OG-OG 2.91Å; T75-S77 PolarHBondContact O-N 3.03Å; S77-K81 PolarHBondContact O-N 3.35Å
78	L	80.6	Confident	71.6	Confident	4 Å²	4	78.2 Å²	78.2	2%	0.021	38%	0.381	C	S	.	.	H	α-helix	trans	-66.2	-44.7	169.9	179.6	62.3	0	0	0	110.7	I62 I66 F67 S74 T75 Y76 K81 I82 L181 Y188	I62-L78 HydrophobicContact CD1-CD2 4.27Å; I66-L78 HydrophobicContact CG2-CD1 4.48Å; F67-L78 HydrophobicContact CZ-CB 4.36Å; S74-L78 PolarHBondContact O-N 3.01Å; T75-L78 WeakPolarHBondContact O-CB 3.44Å; T75-L78 PolarHBondContact O-N 3.31Å; Y76-L78 VanDerWaalsContact C-N 3.3Å; Y76-L78 PolarHBondContact O-N 2.96Å; L78-K81 WeakPolarHBondContact O-CB 3.34Å; L78-K81 PolarHBondContact O-N 2.9Å; L78-I82 HydrophobicContact CD1-CD1 3.8Å; L78-I82 HydrophobicContact CG-CD1 3.95Å; L78-I82 WeakPolarHBondContact O-CG1 3.44Å; L78-I82 PolarHBondContact O-N 2.81Å; L78-I82 VanDerWaalsContact O-N 3.16Å; L78-L181 HydrophobicContact CD2-CD2 4.08Å; L78-L181 HydrophobicContact CG-CD2 4.45Å; L78-Y188 HydrophobicContact CD1-CD1 3.94Å; L78-Y188 HydrophobicContact CD1-CG 4.19Å
79	C	80.6	Confident	73.3	Confident	6 Å²	6	73.5 Å²	73.5	4%	0.041	35%	0.353	C	S	.	.	H	α-helix	trans	-59.9	-46	174.9	-64.6	0	0	0	0	112.6	T75 Y76 K81 I82 A83 V89 W164	T75-C79 PolarHBondContact O-N 2.91Å; T75-C79 PolarHBondContact O-SG 2.9Å; T75-C79 VanDerWaalsContact O-SG 3.37Å; Y76-C79 WeakPolarHBondContact O-CB 3.23Å; Y76-C79 PolarHBondContact O-N 2.87Å; C79-K81 PolarHBondContact O-N 2.8Å; C79-I82 PolarHBondContact O-N 2.86Å; C79-A83 PolarHBondContact O-N 2.93Å; C79-V89 HydrophobicContact CB-CG1 3.8Å; C79-V89 WeakPolarHBondContact O-CG1 3.32Å; C79-W164 VanDerWaalsContact SG-CD2 3.59Å; C79-W164 VanDerWaalsContact SG-CE2 3.52Å; C79-W164 VanDerWaalsContact SG-CE3 3.59Å; C79-W164 VanDerWaalsContact SG-CH2 3.5Å; C79-W164 WeakPolarHBondContact SG-CZ2 3.09Å; C79-W164 VanDerWaalsContact SG-CZ3 3.55Å
80	Q	81.8	Confident	75.1	Confident	92 Å²	92	65.5 Å²	65.5	43%	0.43	33%	0.326	S	S	.	.	H	α-helix	trans	-56.8	-33	176.1	-72.2	-177	-48.1	0	0	113	Y76 L93	Y76-Q80 HydrophobicContact CD1-CG 4.31Å; Y76-Q80 HydrophobicContact CE1-CG 4.03Å; Y76-Q80 WeakPolarHBondContact O-CG 3.33Å; Y76-Q80 PolarHBondContact O-N 2.93Å; Q80-L93 HydrophobicContact CG-CD1 4.36Å; Q80-L93 HydrophobicContact CG-CD2 4.38Å
81	K	79.6	Confident	77.2	Confident	103 Å²	103	64.5 Å²	64.5	45%	0.448	32%	0.319	S	S	.	.	H	α-helix	trans	-74.4	-32.5	177.1	-158.6	172.8	-167.2	169.6	0	112.9	I66 S77 L78 C79	I66-K81 HydrophobicContact CG2-CD 3.79Å; I66-K81 PolarHBondContact O-NZ 2.79Å; S77-K81 PolarHBondContact O-N 3.35Å; L78-K81 WeakPolarHBondContact O-CB 3.34Å; L78-K81 PolarHBondContact O-N 2.9Å; C79-K81 PolarHBondContact O-N 2.8Å
82	I	84.1	Confident	78.9	Confident	4 Å²	4	54.8 Å²	54.8	2%	0.021	27%	0.274	C	S	.	.	H	α-helix	trans	-89.8	-20.4	-175.7	-70.1	172.1	0	0	0	113	L78 C79 K84 L85 C86 V89 Y180 L181 Y188	L78-I82 HydrophobicContact CD1-CD1 3.8Å; L78-I82 HydrophobicContact CG-CD1 3.95Å; L78-I82 WeakPolarHBondContact O-CG1 3.44Å; L78-I82 PolarHBondContact O-N 2.81Å; L78-I82 VanDerWaalsContact O-N 3.16Å; C79-I82 PolarHBondContact O-N 2.86Å; I82-K84 PolarHBondContact O-N 2.82Å; I82-L85 WeakPolarHBondContact O-CA 3.49Å; I82-L85 PolarHBondContact O-N 3.06Å; I82-C86 HydrophobicContact CG2-CB 3.87Å; I82-C86 PolarHBondContact O-N 3.41Å; I82-V89 HydrophobicContact CG2-CG2 4.08Å; I82-Y180 HydrophobicContact CG1-CE1 4.48Å; I82-Y180 HydrophobicContact CG2-CD1 3.77Å; I82-Y180 HydrophobicContact CG2-CE1 3.55Å; I82-L181 HydrophobicContact CD1-CD2 3.29Å; I82-L181 HydrophobicContact CD1-CG 4.39Å; I82-Y188 HydrophobicContact CD1-CD1 4.36Å; I82-Y188 HydrophobicContact CD1-CD2 4.15Å; I82-Y188 HydrophobicContact CD1-CE1 4.18Å; I82-Y188 HydrophobicContact CD1-CE2 3.95Å; I82-Y188 HydrophobicContact CD1-CG 4.36Å; I82-Y188 HydrophobicContact CG1-CE1 3.98Å; I82-Y188 HydrophobicContact CG1-CE2 4.2Å
83	A	82.3	Confident	80.5	Confident	7 Å²	7	48.6 Å²	48.6	6%	0.058	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.5	-32.2	-179.4	0	0	0	0	0	114.8	C79 L85 V89 Q90 L93	C79-A83 PolarHBondContact O-N 2.93Å; A83-L85 PolarHBondContact O-N 2.73Å; A83-V89 HydrophobicContact CB-CG1 4.05Å; A83-Q90 HydrophobicContact CB-CB 4.37Å; A83-L93 HydrophobicContact CB-CD1 3.56Å
84	K	78.5	Confident	81.9	Confident	190 Å²	190	49 Å²	49	83%	0.826	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-10.5	176.9	-63.7	-174.3	178.7	-177.4	0	114.7	I82	I82-K84 PolarHBondContact O-N 2.82Å
85	L	79.8	Confident	82.5	Confident	105 Å²	105	48 Å²	48	55%	0.55	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-122.2	-22.2	-173.2	-58.3	174.4	0	0	0	113.1	I82 A83 Y180	I82-L85 WeakPolarHBondContact O-CA 3.49Å; I82-L85 PolarHBondContact O-N 3.06Å; A83-L85 PolarHBondContact O-N 2.73Å; L85-Y180 WeakPolarHBondContact CB-OH 3.38Å
86	C	83.5	Confident	82.7	Confident	4 Å²	4	48 Å²	48	3%	0.027	24%	0.235	C	C	.	.			trans	-125.7	110.8	176.9	174.3	0	0	0	0	109.8	I82 E88 V89 Q90 Y180	I82-C86 HydrophobicContact CG2-CB 3.87Å; I82-C86 PolarHBondContact O-N 3.41Å; C86-E88 VanDerWaalsContact C-N 3.25Å; C86-E88 PolarHBondContact O-N 2.95Å; C86-E88 PolarHBondContact SG-OE2 2.82Å; C86-V89 HydrophobicContact CB-CB 4.43Å; C86-V89 HydrophobicContact CB-CG2 4.05Å; C86-V89 PolarHBondContact O-N 2.98Å; C86-V89 VanDerWaalsContact O-N 3.12Å; C86-Q90 PolarHBondContact O-N 3.39Å; C86-Y180 HydrophobicContact CB-CD1 4.3Å; C86-Y180 HydrophobicContact CB-CD2 4.18Å; C86-Y180 HydrophobicContact CB-CE2 4.43Å; C86-Y180 HydrophobicContact CB-CG 4.13Å
87	P	85.1	Confident	82.8	Confident	94 Å²	94	48.3 Å²	48.3	61%	0.61	24%	0.242	S	C	*	.	H	α-helix	trans	-65.2	-27.2	-174.9	25.7	-33.3	0	0	0	113.1	V89 Q90 H91	P87-V89 VanDerWaalsContact C-N 3.31Å; P87-V89 PolarHBondContact O-N 3.43Å; P87-Q90 PolarHBondContact O-N 2.94Å; P87-H91 WeakPolarHBondContact O-CB 3.27Å; P87-H91 PolarHBondContact O-N 3.32Å
88	E	86.9	Confident	83	Confident	62 Å²	62	51.1 Å²	51.1	29%	0.29	25%	0.25	S	S	.	.	H	α-helix	trans	-61.6	-37.7	173.6	-65.6	77.5	-173.6	0	0	112.3	C86 T92 V173 K176 I177	C86-E88 VanDerWaalsContact C-N 3.25Å; C86-E88 PolarHBondContact O-N 2.95Å; C86-E88 PolarHBondContact SG-OE2 2.82Å; E88-T92 WeakPolarHBondContact O-CB 3.21Å; E88-T92 PolarHBondContact O-N 3.22Å; E88-T92 PolarHBondContact O-OG1 3.11Å; E88-V173 HydrophobicContact CB-CB 4.14Å; E88-V173 HydrophobicContact CB-CG1 4.3Å; E88-V173 HydrophobicContact CG-CB 4.29Å; E88-V173 HydrophobicContact CG-CG1 4.1Å; E88-K176 HydrophobicContact CG-CB 4.09Å; E88-K176 HydrophobicContact CG-CD 3.83Å; E88-I177 HydrophobicContact CB-CG1 4.04Å
89	V	86.1	Confident	82.7	Confident	2 Å²	2	51.4 Å²	51.4	1%	0.012	25%	0.251	C	S	.	.	H	α-helix	trans	-71.1	-41.4	175.5	179.7	0	0	0	0	110.6	C79 I82 A83 C86 P87 H91 T92 L93 I177	C79-V89 HydrophobicContact CB-CG1 3.8Å; C79-V89 WeakPolarHBondContact O-CG1 3.32Å; I82-V89 HydrophobicContact CG2-CG2 4.08Å; A83-V89 HydrophobicContact CB-CG1 4.05Å; C86-V89 HydrophobicContact CB-CB 4.43Å; C86-V89 HydrophobicContact CB-CG2 4.05Å; C86-V89 PolarHBondContact O-N 2.98Å; C86-V89 VanDerWaalsContact O-N 3.12Å; P87-V89 VanDerWaalsContact C-N 3.31Å; P87-V89 PolarHBondContact O-N 3.43Å; V89-H91 PolarHBondContact O-N 3.46Å; V89-T92 WeakPolarHBondContact O-CB 3.21Å; V89-T92 PolarHBondContact O-N 2.68Å; V89-L93 HydrophobicContact CG1-CD1 4.36Å; V89-L93 WeakPolarHBondContact O-CG 3.39Å; V89-L93 PolarHBondContact O-N 3Å; V89-I177 HydrophobicContact CG2-CB 4.28Å; V89-I177 HydrophobicContact CG2-CD1 3.95Å; V89-I177 HydrophobicContact CG2-CG1 3.7Å; V89-I177 HydrophobicContact CG2-CG2 3.72Å
90	Q	85.7	Confident	82.3	Confident	74 Å²	74	54.1 Å²	54.1	35%	0.346	26%	0.262	S	S	.	.	H	α-helix	trans	-62.8	-42	175.6	-172.7	60.6	65.8	0	0	111.8	A83 C86 P87 L93 N94	A83-Q90 HydrophobicContact CB-CB 4.37Å; C86-Q90 PolarHBondContact O-N 3.39Å; P87-Q90 PolarHBondContact O-N 2.94Å; Q90-L93 PolarHBondContact O-N 2.95Å; Q90-N94 PolarHBondContact NE2-OD1 3.14Å; Q90-N94 PolarHBondContact O-N 2.8Å; Q90-N94 PolarHBondContact O-ND2 3.03Å; Q90-N94 PolarHBondContact O-OD1 3.37Å; Q90-N94 VanDerWaalsContact O-OD1 3.14Å
91	H	87.3	Confident	81.9	Confident	65 Å²	65	56 Å²	56	30%	0.301	27%	0.271	S	S	.	.	H	α-helix	trans	-59.8	-47.4	174.1	-179.5	64	0	0	0	111.6	P87 V89 L93 N94 R95 E171	P87-H91 WeakPolarHBondContact O-CB 3.27Å; P87-H91 PolarHBondContact O-N 3.32Å; V89-H91 PolarHBondContact O-N 3.46Å; H91-L93 VanDerWaalsContact C-N 3.33Å; H91-L93 PolarHBondContact O-N 3.12Å; H91-N94 PolarHBondContact O-N 3.04Å; H91-R95 WeakPolarHBondContact O-CG 3.45Å; H91-R95 PolarHBondContact O-N 3.18Å; H91-E171 IonicContact CD2-OE2 3.59Å; H91-E171 IonicContact CE1-OE2 3.96Å; H91-E171 IonicContact NE2-OE2 2.75Å; H91-E171 PolarHBondContact NE2-OE2 3.47Å
92	T	84.8	Confident	81.3	Confident	3 Å²	3	53.7 Å²	53.7	2%	0.018	26%	0.263	C	S	.	.	H	α-helix	trans	-56.5	-44.7	175.6	-57.2	0	0	0	0	111.8	E88 V89 R95 I96 V167	E88-T92 WeakPolarHBondContact O-CB 3.21Å; E88-T92 PolarHBondContact O-N 3.22Å; E88-T92 PolarHBondContact O-OG1 3.11Å; V89-T92 WeakPolarHBondContact O-CB 3.21Å; V89-T92 PolarHBondContact O-N 2.68Å; T92-R95 PolarHBondContact O-N 3.05Å; T92-I96 HydrophobicContact CG2-CD1 3.98Å; T92-I96 WeakPolarHBondContact O-CD1 3.38Å; T92-I96 VanDerWaalsContact O-CG1 3.31Å; T92-I96 WeakPolarHBondContact O-CG1 3.4Å; T92-I96 PolarHBondContact O-N 2.88Å; T92-V167 HydrophobicContact CG2-CB 4.43Å; T92-V167 HydrophobicContact CG2-CG1 4.23Å
93	L	85	Confident	80.4	Confident	15 Å²	15	54.8 Å²	54.8	8%	0.079	27%	0.268	C	S	.	.	H	α-helix	trans	-66.3	-42.6	177.3	-70.4	173.3	0	0	0	112.7	Y76 Q80 A83 V89 Q90 H91 R95 I96 D97	Y76-L93 HydrophobicContact CD2-CD2 4.28Å; Y76-L93 HydrophobicContact CE2-CD2 3.56Å; Q80-L93 HydrophobicContact CG-CD1 4.36Å; Q80-L93 HydrophobicContact CG-CD2 4.38Å; A83-L93 HydrophobicContact CB-CD1 3.56Å; V89-L93 HydrophobicContact CG1-CD1 4.36Å; V89-L93 WeakPolarHBondContact O-CG 3.39Å; V89-L93 PolarHBondContact O-N 3Å; Q90-L93 PolarHBondContact O-N 2.95Å; H91-L93 VanDerWaalsContact C-N 3.33Å; H91-L93 PolarHBondContact O-N 3.12Å; L93-R95 PolarHBondContact O-N 2.96Å; L93-I96 HydrophobicContact CD2-CD1 4.29Å; L93-I96 WeakPolarHBondContact O-CB 3.32Å; L93-I96 PolarHBondContact O-N 2.85Å; L93-I96 VanDerWaalsContact O-N 3.16Å; L93-D97 PolarHBondContact O-N 2.87Å
94	N	86.5	Confident	79.8	Confident	89 Å²	89	59.5 Å²	59.5	48%	0.476	29%	0.291	S	S	.	.	H	α-helix	trans	-57.3	-39.6	175.6	-65.2	-8.6	0	0	0	111.2	Q90 H91 Y98	Q90-N94 PolarHBondContact NE2-OD1 3.14Å; Q90-N94 PolarHBondContact O-N 2.8Å; Q90-N94 PolarHBondContact O-ND2 3.03Å; Q90-N94 PolarHBondContact O-OD1 3.37Å; Q90-N94 VanDerWaalsContact O-OD1 3.14Å; H91-N94 PolarHBondContact O-N 3.04Å; N94-Y98 WeakPolarHBondContact O-CB 3.03Å; N94-Y98 PolarHBondContact O-N 3.07Å
95	R	81.7	Confident	79.3	Confident	11 Å²	11	55.6 Å²	55.6	4%	0.042	27%	0.274	C	S	.	.	H	α-helix	trans	-70	-40.4	176.2	-65.5	-135.2	73.4	142.6	11.6	113.2	H91 T92 L93 D97 Y98 Y99 T135 S137 V167 E171	H91-R95 WeakPolarHBondContact O-CG 3.45Å; H91-R95 PolarHBondContact O-N 3.18Å; T92-R95 PolarHBondContact O-N 3.05Å; L93-R95 PolarHBondContact O-N 2.96Å; R95-D97 VanDerWaalsContact C-N 3.31Å; R95-D97 PolarHBondContact O-N 2.83Å; R95-Y98 WeakPolarHBondContact O-CB 3.29Å; R95-Y98 PolarHBondContact O-N 2.96Å; R95-Y99 HydrophobicContact CB-CD2 4.47Å; R95-Y99 HydrophobicContact CB-CE2 4.19Å; R95-Y99 PolarHBondContact NH2-OH 3.2Å; R95-Y99 WeakPolarHBondContact O-CD2 3.44Å; R95-Y99 PolarHBondContact O-N 3.06Å; R95-T135 PolarHBondContact NH1-O 3Å; R95-T135 VanDerWaalsContact NH1-O 3.11Å; R95-T135 PolarHBondContact NH2-O 2.65Å; R95-S137 PolarHBondContact NH1-OG 3.31Å; R95-V167 HydrophobicContact CB-CG1 3.95Å; R95-E171 WeakPolarHBondContact CD-OE1 3.48Å; R95-E171 WeakPolarHBondContact CD-OE2 3.49Å; R95-E171 HydrophobicContact CG-CG 4.33Å; R95-E171 IonicContact CZ-OE1 3.46Å; R95-E171 IonicContact NE-OE1 2.77Å; R95-E171 PolarHBondContact NE-OE1 3.29Å; R95-E171 IonicContact NH1-OE1 3.44Å; R95-E171 PolarHBondContact NH1-OE1 3.35Å; R95-E171 IonicContact NH1-OE2 3.61Å
96	I	82.4	Confident	78.5	Confident	1 Å²	1	54.3 Å²	54.3	1%	0.005	26%	0.264	C	S	.	.	H	α-helix	trans	-56.9	-45.6	174.4	-76.4	162.3	0	0	0	110.7	Y76 T92 L93 Y99 K100 F163 W164 V167	Y76-I96 HydrophobicContact CE2-CD1 4.26Å; Y76-I96 HydrophobicContact CE2-CG2 4.33Å; T92-I96 HydrophobicContact CG2-CD1 3.98Å; T92-I96 WeakPolarHBondContact O-CD1 3.38Å; T92-I96 VanDerWaalsContact O-CG1 3.31Å; T92-I96 WeakPolarHBondContact O-CG1 3.4Å; T92-I96 PolarHBondContact O-N 2.88Å; L93-I96 HydrophobicContact CD2-CD1 4.29Å; L93-I96 WeakPolarHBondContact O-CB 3.32Å; L93-I96 PolarHBondContact O-N 2.85Å; L93-I96 VanDerWaalsContact O-N 3.16Å; I96-Y99 PolarHBondContact O-N 2.68Å; I96-K100 HydrophobicContact CG2-CD 4.38Å; I96-K100 VanDerWaalsContact CG2-CE 3.43Å; I96-K100 WeakPolarHBondContact O-CG 3.5Å; I96-K100 PolarHBondContact O-N 3.01Å; I96-F163 HydrophobicContact CB-CE1 4.34Å; I96-F163 HydrophobicContact CG1-CD1 4.29Å; I96-F163 HydrophobicContact CG1-CE1 4.06Å; I96-F163 HydrophobicContact CG2-CD1 4.29Å; I96-F163 HydrophobicContact CG2-CE1 4.01Å; I96-W164 HydrophobicContact CD1-CB 3.38Å; I96-V167 HydrophobicContact CG1-CB 4.11Å; I96-V167 HydrophobicContact CG1-CG1 4.16Å; I96-V167 HydrophobicContact CG1-CG2 3.98Å
97	D	80	Confident	77.3	Confident	69 Å²	69	60.2 Å²	60.2	37%	0.369	29%	0.286	S	S	.	.	H	α-helix	trans	-74.6	-29.5	-179.8	-70.6	-19.3	0	0	0	113.1	L93 R95 K100 Q101	L93-D97 PolarHBondContact O-N 2.87Å; R95-D97 VanDerWaalsContact C-N 3.31Å; R95-D97 PolarHBondContact O-N 2.83Å; D97-K100 WeakPolarHBondContact OD1-CD 3.48Å; D97-K100 WeakPolarHBondContact OD1-CE 3.36Å; D97-K100 IonicContact OD1-NZ 3.6Å; D97-K100 PolarHBondContact OD1-NZ 3.22Å; D97-Q101 VanDerWaalsContact O-CG 3.31Å; D97-Q101 WeakPolarHBondContact O-CG 3.49Å; D97-Q101 PolarHBondContact O-N 2.68Å; D97-Q101 VanDerWaalsContact O-N 3.1Å; D97-Q101 PolarHBondContact O-NE2 2.8Å; D97-Q101 VanDerWaalsContact O-NE2 3.17Å
98	Y	80.1	Confident	76.2	Confident	74 Å²	74	60.6 Å²	60.6	29%	0.29	28%	0.283	S	S	.	.	H	α-helix	trans	-61.3	-48.8	166.9	173.5	-93.1	0	0	0	111.6	N94 R95 K100 Q101 M102	N94-Y98 WeakPolarHBondContact O-CB 3.03Å; N94-Y98 PolarHBondContact O-N 3.07Å; R95-Y98 WeakPolarHBondContact O-CB 3.29Å; R95-Y98 PolarHBondContact O-N 2.96Å; Y98-K100 PolarHBondContact O-N 3.32Å; Y98-Q101 PolarHBondContact O-N 3.49Å; Y98-M102 HydrophobicContact CD1-SD 4.12Å; Y98-M102 HydrophobicContact CE1-CG 4.24Å; Y98-M102 HydrophobicContact CE1-SD 3.37Å; Y98-M102 WeakPolarHBondContact CE1-SD 3.4Å; Y98-M102 PolarHBondContact O-N 3.33Å
99	Y	74.3	Confident	74.8	Confident	9 Å²	9	61.8 Å²	61.8	4%	0.035	29%	0.291	C	S	.	.	H	α-helix	trans	-64.9	-39.7	178.8	-68.2	-49.3	0	0	0	112.4	R95 I96 Q101 M102 I103 S137 M138 V167	R95-Y99 HydrophobicContact CB-CD2 4.47Å; R95-Y99 HydrophobicContact CB-CE2 4.19Å; R95-Y99 PolarHBondContact NH2-OH 3.2Å; R95-Y99 WeakPolarHBondContact O-CD2 3.44Å; R95-Y99 PolarHBondContact O-N 3.06Å; I96-Y99 PolarHBondContact O-N 2.68Å; Y99-Q101 PolarHBondContact O-N 3.03Å; Y99-M102 PolarHBondContact O-N 2.96Å; Y99-I103 WeakPolarHBondContact O-CG1 3.29Å; Y99-I103 PolarHBondContact O-N 3.01Å; Y99-I103 VanDerWaalsContact O-N 3.09Å; Y99-S137 PolarHBondContact OH-N 3.13Å; Y99-S137 PolarHBondContact OH-OG 2.96Å; Y99-M138 HydrophobicContact CD2-SD 4.14Å; Y99-M138 HydrophobicContact CE1-CB 4.16Å; Y99-M138 HydrophobicContact CE2-CB 4.49Å; Y99-M138 HydrophobicContact CE2-CG 4.08Å; Y99-M138 HydrophobicContact CE2-SD 3.72Å; Y99-M138 PolarHBondContact OH-N 3.05Å; Y99-V167 HydrophobicContact CD2-CG2 4.3Å; Y99-V167 HydrophobicContact CE2-CG1 4.31Å
100	K	73.3	Confident	73.2	Confident	64 Å²	64	63.8 Å²	63.8	28%	0.278	31%	0.306	S	S	.	.	H	α-helix	trans	-57	-45.6	171.3	-71.7	171.8	-165.1	158.5	0	112.1	Y76 I96 D97 Y98 M102 I103 I104	Y76-K100 PolarHBondContact OH-NZ 3.08Å; I96-K100 HydrophobicContact CG2-CD 4.38Å; I96-K100 VanDerWaalsContact CG2-CE 3.43Å; I96-K100 WeakPolarHBondContact O-CG 3.5Å; I96-K100 PolarHBondContact O-N 3.01Å; D97-K100 WeakPolarHBondContact OD1-CD 3.48Å; D97-K100 WeakPolarHBondContact OD1-CE 3.36Å; D97-K100 IonicContact OD1-NZ 3.6Å; D97-K100 PolarHBondContact OD1-NZ 3.22Å; Y98-K100 PolarHBondContact O-N 3.32Å; K100-M102 PolarHBondContact O-N 2.67Å; K100-I103 PolarHBondContact O-N 3.38Å; K100-I104 WeakPolarHBondContact O-CG1 3.48Å; K100-I104 PolarHBondContact O-N 3.01Å; K100-I104 VanDerWaalsContact O-N 3.12Å
101	Q	73.6	Confident	71.5	Confident	132 Å²	132	64.1 Å²	64.1	62%	0.617	31%	0.31	S	S	*	.	H	α-helix	trans	-63.2	-39.6	178.6	-75.4	172.1	66	0	0	112.3	D97 Y98 Y99 I103 I104 K105	D97-Q101 VanDerWaalsContact O-CG 3.31Å; D97-Q101 WeakPolarHBondContact O-CG 3.49Å; D97-Q101 PolarHBondContact O-N 2.68Å; D97-Q101 VanDerWaalsContact O-N 3.1Å; D97-Q101 PolarHBondContact O-NE2 2.8Å; D97-Q101 VanDerWaalsContact O-NE2 3.17Å; Y98-Q101 PolarHBondContact O-N 3.49Å; Y99-Q101 PolarHBondContact O-N 3.03Å; Q101-I103 PolarHBondContact O-N 2.84Å; Q101-I104 PolarHBondContact O-N 2.99Å; Q101-K105 PolarHBondContact O-N 2.96Å
102	M	67.3	Low	69.5	Low	54 Å²	54	67.2 Å²	67.2	27%	0.266	33%	0.328	S	S	.	.	H	α-helix	trans	-63.2	-38.8	174.4	-67.5	-170.2	76.9	0	0	112.6	Y98 Y99 K100 K105 K106 F140	Y98-M102 HydrophobicContact CD1-SD 4.12Å; Y98-M102 HydrophobicContact CE1-CG 4.24Å; Y98-M102 HydrophobicContact CE1-SD 3.37Å; Y98-M102 WeakPolarHBondContact CE1-SD 3.4Å; Y98-M102 PolarHBondContact O-N 3.33Å; Y99-M102 PolarHBondContact O-N 2.96Å; K100-M102 PolarHBondContact O-N 2.67Å; M102-K105 PolarHBondContact O-N 3.4Å; M102-K106 PolarHBondContact O-N 3.38Å; M102-F140 HydrophobicContact CB-CD1 4.36Å; M102-F140 HydrophobicContact CB-CD2 4.23Å; M102-F140 HydrophobicContact CB-CE1 3.78Å; M102-F140 HydrophobicContact CB-CE2 3.68Å; M102-F140 HydrophobicContact CB-CZ 3.46Å; M102-F140 VanDerWaalsContact CB-CZ 3.46Å; M102-F140 HydrophobicContact CE-CB 4.38Å; M102-F140 HydrophobicContact CE-CD1 3.69Å; M102-F140 HydrophobicContact CE-CE1 4.16Å; M102-F140 HydrophobicContact CE-CG 3.93Å; M102-F140 WeakPolarHBondContact O-CZ 3.32Å; M102-F140 HydrophobicContact SD-CD2 4.46Å; M102-F140 HydrophobicContact SD-CG 4.41Å
103	I	64.4	Low	67.6	Low	27 Å²	27	75.6 Å²	75.6	14%	0.138	36%	0.364	C	S	.	.	H	α-helix	trans	-61.7	-47.8	176.7	-68.1	171.5	0	0	0	110.7	Y99 K100 Q101 K105 K106 R107 F140 W143 M149	Y99-I103 WeakPolarHBondContact O-CG1 3.29Å; Y99-I103 PolarHBondContact O-N 3.01Å; Y99-I103 VanDerWaalsContact O-N 3.09Å; K100-I103 PolarHBondContact O-N 3.38Å; Q101-I103 PolarHBondContact O-N 2.84Å; I103-K105 VanDerWaalsContact C-N 3.32Å; I103-K105 PolarHBondContact O-N 3Å; I103-K106 PolarHBondContact O-N 3.22Å; I103-R107 PolarHBondContact O-N 2.84Å; I103-F140 HydrophobicContact CG1-CE2 3.71Å; I103-F140 HydrophobicContact CG1-CZ 3.92Å; I103-W143 HydrophobicContact CD1-CB 4.32Å; I103-W143 HydrophobicContact CD1-CE3 4.32Å; I103-M149 HydrophobicContact CG2-CE 3.61Å; I103-M149 HydrophobicContact CG2-SD 4.39Å
104	I	68.6	Low	65.7	Low	106 Å²	106	82.1 Å²	82.1	54%	0.544	39%	0.388	S	S	.	.	H	α-helix	trans	-61	-42.7	178.1	-64.8	164.1	0	0	0	110.5	K100 Q101 R107	K100-I104 WeakPolarHBondContact O-CG1 3.48Å; K100-I104 PolarHBondContact O-N 3.01Å; K100-I104 VanDerWaalsContact O-N 3.12Å; Q101-I104 PolarHBondContact O-N 2.99Å; I104-R107 PolarHBondContact O-N 3.27Å
105	K	69.7	Low	63.4	Low	107 Å²	107	84.2 Å²	84.2	47%	0.465	40%	0.399	S	S	.	.	H	α-helix	trans	-61.6	-48.9	178.9	-171.1	177.3	178.7	-177.9	0	112.6	Q101 M102 I103 R107 N108 D109	Q101-K105 PolarHBondContact O-N 2.96Å; M102-K105 PolarHBondContact O-N 3.4Å; I103-K105 VanDerWaalsContact C-N 3.32Å; I103-K105 PolarHBondContact O-N 3Å; K105-R107 VanDerWaalsContact C-N 3.29Å; K105-R107 PolarHBondContact O-N 2.86Å; K105-N108 PolarHBondContact O-N 3.05Å; K105-D109 PolarHBondContact O-N 3.04Å
106	K	61.8	Low	61.2	Low	79 Å²	79	90 Å²	90	34%	0.343	43%	0.429	S	S	.	.	H	α-helix	trans	-60.4	-36.4	-179.6	-106.9	-167.4	-170	168.9	0	112.9	M102 I103 N108 D109 S110 F140 S144	M102-K106 PolarHBondContact O-N 3.38Å; I103-K106 PolarHBondContact O-N 3.22Å; K106-N108 VanDerWaalsContact C-N 3.33Å; K106-N108 PolarHBondContact O-N 2.97Å; K106-D109 PolarHBondContact O-N 2.91Å; K106-S110 PolarHBondContact O-N 3.1Å; K106-S110 VanDerWaalsContact O-N 3.1Å; K106-S110 PolarHBondContact O-OG 2.79Å; K106-F140 HydrophobicContact CB-CE1 4.3Å; K106-F140 HydrophobicContact CD-CD1 4.05Å; K106-F140 HydrophobicContact CD-CE1 3.45Å; K106-F140 VanDerWaalsContact CD-CE1 3.45Å; K106-F140 HydrophobicContact CD-CZ 4.27Å; K106-F140 HydrophobicContact CG-CE1 3.86Å; K106-F140 PolarHBondContact NZ-O 3.19Å; K106-S144 VanDerWaalsContact CD-CB 3.46Å; K106-S144 VanDerWaalsContact NZ-CB 3.26Å; K106-S144 PolarHBondContact NZ-OG 2.87Å
107	R	57.9	Low	58.6	Low	127 Å²	127	95.5 Å²	95.5	48%	0.479	47%	0.467	S	S	.	.	H	α-helix	trans	-58.6	-45.6	178.9	-172.4	173.7	-176.3	143.3	2.8	111.4	I103 I104 K105 D109 S110 D111	I103-R107 PolarHBondContact O-N 2.84Å; I104-R107 PolarHBondContact O-N 3.27Å; K105-R107 VanDerWaalsContact C-N 3.29Å; K105-R107 PolarHBondContact O-N 2.86Å; R107-D109 PolarHBondContact O-N 3.35Å; R107-S110 WeakPolarHBondContact CA-OG 3.23Å; R107-S110 PolarHBondContact O-N 3.41Å; R107-S110 PolarHBondContact O-OG 3.22Å; R107-D111 PolarHBondContact O-N 3.32Å
108	N	62.4	Low	56.6	Low	103 Å²	103	97.8 Å²	97.8	55%	0.551	49%	0.486	S	S	*	.	H	α-helix	trans	-65.5	-37.6	179.6	-60.2	-6.2	0	0	0	112.1	K105 K106 L112	K105-N108 PolarHBondContact O-N 3.05Å; K106-N108 VanDerWaalsContact C-N 3.33Å; K106-N108 PolarHBondContact O-N 2.97Å; N108-L112 PolarHBondContact O-N 2.8Å
109	D	57.5	Low	54.2	Low	86 Å²	86	102.3 Å²	102.3	46%	0.46	51%	0.514	S	S	.	.	H	α-helix	trans	-67.3	-34.2	176.2	-70	-35.4	0	0	0	112.5	K105 K106 R107 K113	K105-D109 PolarHBondContact O-N 3.04Å; K106-D109 PolarHBondContact O-N 2.91Å; R107-D109 PolarHBondContact O-N 3.35Å; D109-K113 PolarHBondContact O-N 2.9Å
110	S	52.6	Low	52	Low	45 Å²	45	112.9 Å²	112.9	32%	0.315	55%	0.554	S	S	.	*	H	α-helix	trans	-71.8	-38.3	177.2	41.4	0	0	0	0	113.7	K106 R107 L112 K113	K106-S110 PolarHBondContact O-N 3.1Å; K106-S110 VanDerWaalsContact O-N 3.1Å; K106-S110 PolarHBondContact O-OG 2.79Å; R107-S110 WeakPolarHBondContact CA-OG 3.23Å; R107-S110 PolarHBondContact O-N 3.41Å; R107-S110 PolarHBondContact O-OG 3.22Å; S110-L112 VanDerWaalsContact C-N 3.31Å; S110-L112 PolarHBondContact O-N 3.46Å; S110-K113 PolarHBondContact O-N 3.36Å
111	D	49.7	Very low	49.9	Very low	81 Å²	81	117.2 Å²	117.2	43%	0.433	58%	0.58	S	S	.	*	H	α-helix	trans	-71.4	-29	179.7	-68.2	-30.7	0	0	0	111.8	R107 N115	R107-D111 PolarHBondContact O-N 3.32Å; D111-N115 PolarHBondContact O-ND2 3.1Å
112	L	46	Very low	48.2	Very low	129 Å²	129	120.9 Å²	120.9	68%	0.675	59%	0.594	S	S	*	*	H	α-helix	trans	-68.5	-39.4	173.1	-157.6	73.8	0	0	0	112.1	N108 S110 R114 N115	N108-L112 PolarHBondContact O-N 2.8Å; S110-L112 VanDerWaalsContact C-N 3.31Å; S110-L112 PolarHBondContact O-N 3.46Å; L112-R114 VanDerWaalsContact C-N 3.3Å; L112-R114 PolarHBondContact O-N 3.32Å; L112-N115 PolarHBondContact O-N 3.01Å
113	K	45.2	Very low	46.6	Very low	179 Å²	179	124.1 Å²	124.1	78%	0.778	62%	0.619	S	S	*	*	H	α-helix	trans	-71.2	-16.7	-178.7	-77.8	-174.6	175.7	-172.9	0	114.9	D109 S110	D109-K113 PolarHBondContact O-N 2.9Å; S110-K113 PolarHBondContact O-N 3.36Å
114	R	44.1	Very low	44.8	Very low	153 Å²	153	130.2 Å²	130.2	58%	0.577	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.8	-11.4	178.3	-80.4	-169.4	167.6	106.8	4	114.9	L112 E146	L112-R114 VanDerWaalsContact C-N 3.3Å; L112-R114 PolarHBondContact O-N 3.32Å; R114-E146 IonicContact CZ-OE1 3.44Å; R114-E146 VanDerWaalsContact CZ-OE1 3.23Å; R114-E146 IonicContact CZ-OE2 3.9Å; R114-E146 IonicContact NH1-OE1 2.72Å; R114-E146 PolarHBondContact NH1-OE1 3.34Å; R114-E146 IonicContact NH2-OE1 3.33Å; R114-E146 PolarHBondContact NH2-OE1 3.21Å; R114-E146 IonicContact NH2-OE2 3.54Å; R114-E146 PolarHBondContact NH2-OE2 2.9Å
115	N	38.4	Very low	42.8	Very low	133 Å²	133	135 Å²	135	71%	0.711	67%	0.669	S	S	*	*	S	Bend	trans	-111.6	-3.3	-168.4	-73.6	-69.5	0	0	0	115.4	D111 L112	D111-N115 PolarHBondContact O-ND2 3.1Å; L112-N115 PolarHBondContact O-N 3.01Å
116	I	35.7	Very low	40.8	Very low	133 Å²	133	135 Å²	135	68%	0.682	68%	0.68	S	S	*	*			trans	-141.9	125.1	-179.9	-53.5	179.3	0	0	0	111.6
117	S	28.2	Very low	39	Very low	115 Å²	115	139.9 Å²	139.9	80%	0.804	71%	0.709	S	S	*	*			trans	-148.6	137.8	160.6	56.4	0	0	0	0	110.4
118	P	38.8	Very low	37.6	Very low	118 Å²	118	140 Å²	140	77%	0.766	72%	0.719	S	S	*	*			cis	-126.5	115.7	-23.6	34	-16.7	0	0	0	111.8
119	L	29.3	Very low	36.1	Very low	168 Å²	168	142.2 Å²	142.2	88%	0.88	73%	0.729	S	S	*	*			trans	-113.9	113.9	167.1	-110.9	82.7	0	0	0	112.8	N121	L119-N121 PolarHBondContact O-N 3.36Å
120	R	28	Very low	34.6	Very low	232 Å²	232	142.6 Å²	142.6	88%	0.875	74%	0.738	S	S	*	*			trans	-40.2	113.3	162.2	176.1	-171.2	-167.2	172.1	4.8	112.7
121	N	29.5	Very low	33.6	Very low	154 Å²	154	146.9 Å²	146.9	82%	0.824	76%	0.758	S	S	*	*			trans	-171.8	148.9	142.8	-96.3	-27.8	0	0	0	112.3	L119 P123	L119-N121 PolarHBondContact O-N 3.36Å; N121-P123 WeakPolarHBondContact O-CD 3.46Å
122	K	37.8	Very low	32.6	Very low	210 Å²	210	151.3 Å²	151.3	91%	0.913	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-77.2	127.2	176.2	-65.5	178.7	178.7	178.9	0	110.6
123	P	32.5	Very low	32.5	Very low	121 Å²	121	154.8 Å²	154.8	79%	0.786	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-99.8	145.7	165.5	34.4	-27.1	0	0	0	112	N121	N121-P123 WeakPolarHBondContact O-CD 3.46Å
124	N	27.9	Very low	32.5	Very low	156 Å²	156	150.3 Å²	150.3	83%	0.834	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-73.1	157.8	-176.2	-67.6	-46.5	0	0	0	113.5	P126	N124-P126 VanDerWaalsContact O-CD 3.29Å; N124-P126 WeakPolarHBondContact O-CD 3.42Å
125	K	26.1	Very low	32.8	Very low	206 Å²	206	148.3 Å²	148.3	90%	0.896	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-53.3	119.2	167.9	-80.8	-179.1	175.9	175	0	110.4	L127	K125-L127 PolarHBondContact O-N 2.74Å
126	P	27.4	Very low	33.5	Very low	108 Å²	108	145.8 Å²	145.8	70%	0.701	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-74.4	126	165.6	30.1	-31.4	0	0	0	109.3	N124 L128	N124-P126 VanDerWaalsContact O-CD 3.29Å; N124-P126 WeakPolarHBondContact O-CD 3.42Å; P126-L128 PolarHBondContact O-N 3.02Å
127	L	25	Very low	34.4	Very low	181 Å²	181	140.9 Å²	140.9	95%	0.948	74%	0.743	S	S	*	*	P	Polyproline II helix	trans	-61.8	116.1	175	-75.7	157.6	0	0	0	110.1	K125	K125-L127 PolarHBondContact O-N 2.74Å
128	L	28.1	Very low	35.8	Very low	130 Å²	130	135.7 Å²	135.7	68%	0.681	71%	0.706	S	S	*	*			trans	-113	137	165.3	-105.8	165.9	0	0	0	108.9	P126	P126-L128 PolarHBondContact O-N 3.02Å
129	I	29.7	Very low	36.6	Very low	149 Å²	149	132.1 Å²	132.1	76%	0.764	68%	0.68	S	S	*	*			trans	-59.1	139.4	-164.3	-65	161.3	0	0	0	111.8	N131	I129-N131 PolarHBondContact O-N 3.24Å
130	S	25.6	Very low	37.7	Very low	94 Å²	94	125.6 Å²	125.6	66%	0.657	65%	0.645	S	S	*	*			trans	-60.2	97.6	-178.8	53.2	0	0	0	0	112.9
131	N	31.9	Very low	38.9	Very low	135 Å²	135	117.8 Å²	117.8	72%	0.722	62%	0.623	S	S	*	*			trans	-116.2	58.5	164.8	-89.4	-26.2	0	0	0	109.9	I129 K133	I129-N131 PolarHBondContact O-N 3.24Å; N131-K133 VanDerWaalsContact C-N 3.29Å; N131-K133 PolarHBondContact O-N 3.4Å
132	E	30.1	Very low	40	Very low	173 Å²	173	112 Å²	112	81%	0.808	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.6	77.7	177.5	-62.9	-179.2	136.3	0	0	111.7
133	K	42.8	Very low	40.6	Very low	203 Å²	203	103.6 Å²	103.6	88%	0.883	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	-173	-9.4	161.2	-106.1	141.4	-165.6	165.9	0	116.7	N131	N131-K133 VanDerWaalsContact C-N 3.29Å; N131-K133 PolarHBondContact O-N 3.4Å
134	L	44.9	Very low	41.3	Very low	84 Å²	84	99.9 Å²	99.9	44%	0.44	53%	0.53	S	S	.	.			trans	-102.4	89	-176.7	-77.7	159.3	0	0	0	111.9
135	T	50.9	Low	42.4	Very low	112 Å²	112	96.4 Å²	96.4	69%	0.687	51%	0.511	S	S	*	.			trans	-68.3	143.8	167.7	47.2	0	0	0	0	110.9	R95 S137	R95-T135 PolarHBondContact NH1-O 3Å; R95-T135 VanDerWaalsContact NH1-O 3.11Å; R95-T135 PolarHBondContact NH2-O 2.65Å; T135-S137 PolarHBondContact O-N 3.37Å
136	P	54.4	Low	43.2	Very low	79 Å²	79	90.7 Å²	90.7	51%	0.513	49%	0.488	S	S	.	.			trans	-62.6	127.2	170.5	-18.4	31.8	0	0	0	110.6
137	S	53.4	Low	44	Very low	31 Å²	31	94.1 Å²	94.1	22%	0.217	49%	0.492	C	S	.	.	S	Bend	trans	-92	-17.6	170.3	52.9	0	0	0	0	112.7	R95 Y99 T135 E171	R95-S137 PolarHBondContact NH1-OG 3.31Å; Y99-S137 PolarHBondContact OH-N 3.13Å; Y99-S137 PolarHBondContact OH-OG 2.96Å; T135-S137 PolarHBondContact O-N 3.37Å; S137-E171 WeakPolarHBondContact CB-OE1 3.44Å; S137-E171 PolarHBondContact OG-OE1 3.15Å
138	M	58	Low	44.9	Very low	6 Å²	6	91.6 Å²	91.6	3%	0.03	47%	0.47	C	S	.	.	S	Bend	trans	-112	143	175.3	-62.6	-176.1	65.1	0	0	110.7	E42 Y99 F140 V167 Y170	E42-M138 VanDerWaalsContact OE2-CE 3.25Å; E42-M138 WeakPolarHBondContact OE2-CE 3.49Å; Y99-M138 HydrophobicContact CD2-SD 4.14Å; Y99-M138 HydrophobicContact CE1-CB 4.16Å; Y99-M138 HydrophobicContact CE2-CB 4.49Å; Y99-M138 HydrophobicContact CE2-CG 4.08Å; Y99-M138 HydrophobicContact CE2-SD 3.72Å; Y99-M138 PolarHBondContact OH-N 3.05Å; M138-F140 PolarHBondContact O-N 3Å; M138-V167 HydrophobicContact SD-CG2 4.11Å; M138-Y170 HydrophobicContact CE-CD2 3.59Å; M138-Y170 HydrophobicContact CE-CE2 3.36Å; M138-Y170 HydrophobicContact CG-CD2 3.6Å; M138-Y170 HydrophobicContact CG-CE2 4.28Å; M138-Y170 HydrophobicContact CG-CG 4.11Å; M138-Y170 HydrophobicContact SD-CD2 3.46Å; M138-Y170 WeakPolarHBondContact SD-CD2 3.42Å; M138-Y170 HydrophobicContact SD-CE2 3.91Å; M138-Y170 HydrophobicContact SD-CG 4.47Å
139	N	56	Low	45.6	Very low	43 Å²	43	87.4 Å²	87.4	23%	0.23	45%	0.447	C	S	.	.			trans	-75.6	114.5	171.7	-77.9	-63.3	0	0	0	111.8	E42 T141 S217 H218 T219	E42-N139 WeakPolarHBondContact OE1-CB 3.33Å; E42-N139 PolarHBondContact OE1-N 2.85Å; N139-T141 PolarHBondContact O-N 3.4Å; N139-S217 PolarHBondContact ND2-O 3.38Å; N139-H218 PolarHBondContact ND2-N 3.38Å; N139-T219 HydrophobicContact CB-CG2 3.66Å; N139-T219 VanDerWaalsContact CG-CG2 3.44Å; N139-T219 PolarHBondContact ND2-N 3.12Å; N139-T219 WeakPolarHBondContact OD1-CG2 3.3Å
140	F	52.7	Low	46.1	Very low	31 Å²	31	85.2 Å²	85.2	14%	0.136	44%	0.437	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.5	13.8	-174.1	-165	-119.1	0	0	0	115	M102 I103 K106 M138 S144	M102-F140 HydrophobicContact CB-CD1 4.36Å; M102-F140 HydrophobicContact CB-CD2 4.23Å; M102-F140 HydrophobicContact CB-CE1 3.78Å; M102-F140 HydrophobicContact CB-CE2 3.68Å; M102-F140 HydrophobicContact CB-CZ 3.46Å; M102-F140 VanDerWaalsContact CB-CZ 3.46Å; M102-F140 HydrophobicContact CE-CB 4.38Å; M102-F140 HydrophobicContact CE-CD1 3.69Å; M102-F140 HydrophobicContact CE-CE1 4.16Å; M102-F140 HydrophobicContact CE-CG 3.93Å; M102-F140 WeakPolarHBondContact O-CZ 3.32Å; M102-F140 HydrophobicContact SD-CD2 4.46Å; M102-F140 HydrophobicContact SD-CG 4.41Å; I103-F140 HydrophobicContact CG1-CE2 3.71Å; I103-F140 HydrophobicContact CG1-CZ 3.92Å; K106-F140 HydrophobicContact CB-CE1 4.3Å; K106-F140 HydrophobicContact CD-CD1 4.05Å; K106-F140 HydrophobicContact CD-CE1 3.45Å; K106-F140 VanDerWaalsContact CD-CE1 3.45Å; K106-F140 HydrophobicContact CD-CZ 4.27Å; K106-F140 HydrophobicContact CG-CE1 3.86Å; K106-F140 PolarHBondContact NZ-O 3.19Å; M138-F140 PolarHBondContact O-N 3Å; F140-S144 PolarHBondContact O-OG 3.31Å; F140-S144 VanDerWaalsContact O-OG 3.1Å
141	T	52.7	Low	46.8	Very low	68 Å²	68	86.3 Å²	86.3	42%	0.417	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83	-47.8	176.5	53.2	0	0	0	0	111.8	N139 W143 S144 T219	N139-T141 PolarHBondContact O-N 3.4Å; T141-W143 PolarHBondContact O-N 3.21Å; T141-S144 PolarHBondContact O-N 3.46Å; T141-S144 PolarHBondContact O-OG 3.44Å; T141-T219 HydrophobicContact CG2-CG2 4.26Å
142	F	51.1	Low	47.1	Very low	32 Å²	32	81.6 Å²	81.6	14%	0.14	41%	0.41	C	S	.	.	G	3₁₀ helix	trans	-51.9	-53.4	-178.1	166.5	-124.5	0	0	0	112.5	D43 S144 N145	D43-F142 HydrophobicContact CB-CE2 4.43Å; D43-F142 VanDerWaalsContact CG-CD2 3.46Å; D43-F142 VanDerWaalsContact CG-CE2 3.49Å; D43-F142 WeakPolarHBondContact OD1-CD2 3.45Å; D43-F142 WeakPolarHBondContact OD1-CE2 3.34Å; F142-S144 VanDerWaalsContact C-N 3.26Å; F142-S144 PolarHBondContact O-N 3.37Å; F142-N145 WeakPolarHBondContact O-CB 3.23Å; F142-N145 PolarHBondContact O-N 2.87Å
143	W	51.5	Low	47.7	Very low	34 Å²	34	79 Å²	79	13%	0.129	40%	0.401	C	S	.	.	G	3₁₀ helix	trans	-67.5	-23	-179.9	-67.4	89.1	0	0	0	113.6	I103 T141 N145 M149 V159 F160 F163	I103-W143 HydrophobicContact CD1-CB 4.32Å; I103-W143 HydrophobicContact CD1-CE3 4.32Å; T141-W143 PolarHBondContact O-N 3.21Å; W143-N145 VanDerWaalsContact C-N 3.34Å; W143-M149 WeakPolarHBondContact O-CE 3.5Å; W143-V159 HydrophobicContact CZ3-CG1 4.13Å; W143-F160 HydrophobicContact CZ3-CE1 4.37Å; W143-F163 AromaticContact CE2-CE2 3.87Å; W143-F163 AromaticContact CH2-CD2 3.37Å; W143-F163 HydrophobicContact CH2-CD2 3.37Å; W143-F163 AromaticContact CH2-CE2 3.59Å; W143-F163 HydrophobicContact CH2-CE2 3.59Å; W143-F163 HydrophobicContact CH2-CG 4.3Å; W143-F163 AromaticContact CZ2-CD2 3.48Å; W143-F163 HydrophobicContact CZ2-CD2 3.48Å; W143-F163 VanDerWaalsContact CZ2-CD2 3.48Å; W143-F163 AromaticContact CZ2-CE2 3.38Å; W143-F163 HydrophobicContact CZ2-CE2 3.38Å; W143-F163 HydrophobicContact CZ3-CD2 4.22Å; W143-F163 HydrophobicContact CZ3-CE2 4.21Å
144	S	47.9	Very low	47.3	Very low	42 Å²	42	71.9 Å²	71.9	29%	0.294	39%	0.385	S	S	.	.	G	3₁₀ helix	trans	-88.1	5	-179.1	66.9	0	0	0	0	115	K106 F140 T141 F142 E146	K106-S144 VanDerWaalsContact CD-CB 3.46Å; K106-S144 VanDerWaalsContact NZ-CB 3.26Å; K106-S144 PolarHBondContact NZ-OG 2.87Å; F140-S144 PolarHBondContact O-OG 3.31Å; F140-S144 VanDerWaalsContact O-OG 3.1Å; T141-S144 PolarHBondContact O-N 3.46Å; T141-S144 PolarHBondContact O-OG 3.44Å; F142-S144 VanDerWaalsContact C-N 3.26Å; F142-S144 PolarHBondContact O-N 3.37Å; S144-E146 PolarHBondContact O-N 3.49Å
145	N	49.9	Very low	46.9	Very low	84 Å²	84	77.2 Å²	77.2	45%	0.449	40%	0.4	S	S	.	.			trans	-74	115.9	-173.5	-163.3	-36	0	0	0	111.6	F142 W143 K147 R148 M149	F142-N145 WeakPolarHBondContact O-CB 3.23Å; F142-N145 PolarHBondContact O-N 2.87Å; W143-N145 VanDerWaalsContact C-N 3.34Å; N145-K147 VanDerWaalsContact C-N 3.26Å; N145-K147 PolarHBondContact O-N 3.14Å; N145-K147 VanDerWaalsContact O-N 3.14Å; N145-R148 PolarHBondContact O-N 2.82Å; N145-M149 PolarHBondContact O-N 2.92Å; N145-M149 VanDerWaalsContact O-N 3.07Å
146	E	43.2	Very low	46.3	Very low	85 Å²	85	75.1 Å²	75.1	40%	0.397	39%	0.388	S	S	.	.	H	α-helix	trans	-57.6	-34.5	-168.6	-169.8	166.9	-115	0	0	113.7	R114 S144 R148 M149 N150	R114-E146 IonicContact CZ-OE1 3.44Å; R114-E146 VanDerWaalsContact CZ-OE1 3.23Å; R114-E146 IonicContact CZ-OE2 3.9Å; R114-E146 IonicContact NH1-OE1 2.72Å; R114-E146 PolarHBondContact NH1-OE1 3.34Å; R114-E146 IonicContact NH2-OE1 3.33Å; R114-E146 PolarHBondContact NH2-OE1 3.21Å; R114-E146 IonicContact NH2-OE2 3.54Å; R114-E146 PolarHBondContact NH2-OE2 2.9Å; S144-E146 PolarHBondContact O-N 3.49Å; E146-R148 PolarHBondContact O-N 2.67Å; E146-M149 PolarHBondContact O-N 3.43Å; E146-N150 PolarHBondContact O-N 2.88Å
147	K	43.2	Very low	45.6	Very low	181 Å²	181	76.4 Å²	76.4	79%	0.787	39%	0.39	S	S	*	.	H	α-helix	trans	-64.7	-23.7	175.9	-70	-177.9	178.4	177.1	0	113.6	N145	N145-K147 VanDerWaalsContact C-N 3.26Å; N145-K147 PolarHBondContact O-N 3.14Å; N145-K147 VanDerWaalsContact O-N 3.14Å
148	R	45	Very low	45.2	Very low	127 Å²	127	79.3 Å²	79.3	48%	0.479	41%	0.407	S	S	.	.	H	α-helix	trans	-92.3	-30.9	171	-81.2	-178.9	162.7	130.9	-8.5	112.3	D43 N145 E146 N150 L151	D43-R148 IonicContact OD2-NH1 2.76Å; D43-R148 PolarHBondContact OD2-NH1 3.04Å; D43-R148 VanDerWaalsContact OD2-NH1 3.15Å; N145-R148 PolarHBondContact O-N 2.82Å; E146-R148 PolarHBondContact O-N 2.67Å; R148-N150 VanDerWaalsContact C-N 3.29Å; R148-N150 PolarHBondContact O-N 3.07Å; R148-L151 WeakPolarHBondContact O-CB 3.33Å; R148-L151 PolarHBondContact O-N 2.97Å; R148-L151 VanDerWaalsContact O-N 3.14Å
149	M	42.4	Very low	44.7	Very low	42 Å²	42	81.3 Å²	81.3	21%	0.207	42%	0.419	C	S	.	.	H	α-helix	trans	-62.7	-33.3	172.3	-78.5	-73.2	150.8	0	0	112.9	I103 W143 N145 E146 L151 L152	I103-M149 HydrophobicContact CG2-CE 3.61Å; I103-M149 HydrophobicContact CG2-SD 4.39Å; W143-M149 WeakPolarHBondContact O-CE 3.5Å; N145-M149 PolarHBondContact O-N 2.92Å; N145-M149 VanDerWaalsContact O-N 3.07Å; E146-M149 PolarHBondContact O-N 3.43Å; M149-L151 PolarHBondContact O-N 3.33Å; M149-L152 HydrophobicContact CE-CD1 4.09Å; M149-L152 WeakPolarHBondContact O-CB 3.41Å; M149-L152 PolarHBondContact O-N 3.35Å; M149-L152 VanDerWaalsContact O-N 3.08Å; M149-L152 HydrophobicContact SD-CD1 3.79Å
150	N	41.1	Very low	44.6	Very low	103 Å²	103	82.6 Å²	82.6	55%	0.551	42%	0.423	S	S	*	.	G	3₁₀ helix	trans	-66.7	-17.8	174.8	-75.6	-24.5	0	0	0	114.4	E146 R148	E146-N150 PolarHBondContact O-N 2.88Å; R148-N150 VanDerWaalsContact C-N 3.29Å; R148-N150 PolarHBondContact O-N 3.07Å
151	L	40.2	Very low	44.9	Very low	118 Å²	118	87 Å²	87	62%	0.618	44%	0.444	S	S	*	.	G	3₁₀ helix	trans	-75.1	-24.9	171.2	-75.2	161.2	0	0	0	112.5	R148 M149 N153 G154	R148-L151 WeakPolarHBondContact O-CB 3.33Å; R148-L151 PolarHBondContact O-N 2.97Å; R148-L151 VanDerWaalsContact O-N 3.14Å; M149-L151 PolarHBondContact O-N 3.33Å; L151-N153 PolarHBondContact O-N 2.91Å; L151-N153 VanDerWaalsContact O-N 3.14Å; L151-G154 PolarHBondContact O-N 2.85Å; L151-G154 VanDerWaalsContact O-N 3.09Å
152	L	38.6	Very low	45.9	Very low	36 Å²	36	85.5 Å²	85.5	19%	0.188	43%	0.432	C	S	.	.	G	3₁₀ helix	trans	-69.5	-6.2	176.5	-80	119	0	0	0	114	M149 G154 P156 V159 F160	M149-L152 HydrophobicContact CE-CD1 4.09Å; M149-L152 WeakPolarHBondContact O-CB 3.41Å; M149-L152 PolarHBondContact O-N 3.35Å; M149-L152 VanDerWaalsContact O-N 3.08Å; M149-L152 HydrophobicContact SD-CD1 3.79Å; L152-G154 PolarHBondContact O-N 3.47Å; L152-P156 HydrophobicContact CD2-CB 4.34Å; L152-V159 HydrophobicContact CD1-CB 4.49Å; L152-V159 HydrophobicContact CD1-CG1 4.2Å; L152-V159 HydrophobicContact CD1-CG2 4.27Å; L152-V159 HydrophobicContact CD2-CB 4.44Å; L152-V159 HydrophobicContact CG-CB 4.37Å; L152-V159 HydrophobicContact CG-CG2 4.04Å; L152-F160 HydrophobicContact CD2-CE2 4.24Å
153	N	42.6	Very low	47.3	Very low	117 Å²	117	84.4 Å²	84.4	63%	0.626	43%	0.428	S	S	*	.	G	3₁₀ helix	trans	-76.4	-1.5	169.5	-65.3	-24.4	0	0	0	112.7	L151	L151-N153 PolarHBondContact O-N 2.91Å; L151-N153 VanDerWaalsContact O-N 3.14Å
154	G	33.7	Very low	48.9	Very low	54 Å²	54	83.2 Å²	83.2	56%	0.557	42%	0.423	S	S	*	.	S	Bend	trans	-135	83.8	176.8	0	0	0	0	0	113.4	L151 L152	L151-G154 PolarHBondContact O-N 2.85Å; L151-G154 VanDerWaalsContact O-N 3.09Å; L152-G154 PolarHBondContact O-N 3.47Å
155	R	35.4	Very low	50.8	Low	197 Å²	197	81.2 Å²	81.2	74%	0.743	41%	0.409	S	S	*	.			trans	64.5	120	-169.4	-65	-171.8	175.7	-161.5	-2.2	114.2	D157	R155-D157 VanDerWaalsContact C-N 3.31Å; R155-D157 PolarHBondContact O-N 3.41Å
156	P	38.8	Very low	52.6	Low	68 Å²	68	78.6 Å²	78.6	44%	0.442	39%	0.393	S	S	.	.	S	Bend	trans	-75.1	-18.5	-179.3	31	-34.9	0	0	0	113.9	L152 T158 F160	L152-P156 HydrophobicContact CD2-CB 4.34Å; P156-T158 PolarHBondContact O-N 3.42Å; P156-F160 WeakPolarHBondContact O-CD2 3.38Å
157	D	41.3	Very low	54.6	Low	105 Å²	105	74.6 Å²	74.6	56%	0.561	37%	0.374	S	S	*	.	G	3₁₀ helix	trans	-77	-28.1	-159.5	-40.7	-72.7	0	0	0	113.5	R155 V159 F160 Q161	R155-D157 VanDerWaalsContact C-N 3.31Å; R155-D157 PolarHBondContact O-N 3.41Å; D157-V159 PolarHBondContact O-N 3.05Å; D157-F160 PolarHBondContact O-N 2.74Å; D157-Q161 PolarHBondContact O-N 3.06Å
158	T	44.2	Very low	56.7	Low	93 Å²	93	66 Å²	66	57%	0.571	34%	0.337	S	S	*	.	G	3₁₀ helix	trans	-70.1	-31.5	-177.9	55.5	0	0	0	0	113.1	P156 F160 Q161	P156-T158 PolarHBondContact O-N 3.42Å; T158-F160 VanDerWaalsContact C-N 3.27Å; T158-F160 PolarHBondContact O-N 3.47Å; T158-Q161 PolarHBondContact O-N 3.01Å
159	V	47	Very low	58.8	Low	47 Å²	47	60 Å²	60	29%	0.285	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-75.7	-18.4	-178.5	-178	0	0	0	0	112	W143 L152 D157	W143-V159 HydrophobicContact CZ3-CG1 4.13Å; L152-V159 HydrophobicContact CD1-CB 4.49Å; L152-V159 HydrophobicContact CD1-CG1 4.2Å; L152-V159 HydrophobicContact CD1-CG2 4.27Å; L152-V159 HydrophobicContact CD2-CB 4.44Å; L152-V159 HydrophobicContact CG-CB 4.37Å; L152-V159 HydrophobicContact CG-CG2 4.04Å; D157-V159 PolarHBondContact O-N 3.05Å
160	F	53.6	Low	60.9	Low	71 Å²	71	58.4 Å²	58.4	31%	0.311	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	-101.9	3.1	176.2	-66.3	-70.4	0	0	0	114.2	W143 L152 P156 D157 T158 H162 F163	W143-F160 HydrophobicContact CZ3-CE1 4.37Å; L152-F160 HydrophobicContact CD2-CE2 4.24Å; P156-F160 WeakPolarHBondContact O-CD2 3.38Å; D157-F160 PolarHBondContact O-N 2.74Å; T158-F160 VanDerWaalsContact C-N 3.27Å; T158-F160 PolarHBondContact O-N 3.47Å; F160-H162 PolarHBondContact O-N 3.02Å; F160-F163 HydrophobicContact CB-CB 4.31Å; F160-F163 HydrophobicContact CD1-CB 4.23Å; F160-F163 AromaticContact CD1-CD1 3.72Å; F160-F163 HydrophobicContact CD1-CD1 3.72Å; F160-F163 HydrophobicContact CD1-CE1 4.2Å; F160-F163 AromaticContact CD1-CG 3.97Å; F160-F163 HydrophobicContact CD1-CG 3.97Å; F160-F163 HydrophobicContact CE1-CD1 4.27Å; F160-F163 HydrophobicContact CE1-CE1 4.29Å; F160-F163 WeakPolarHBondContact O-CB 3.48Å; F160-F163 PolarHBondContact O-N 2.94Å
161	Q	59.8	Low	63	Low	124 Å²	124	55.1 Å²	55.1	58%	0.579	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	132.5	175.5	-157	-179.1	5.1	0	0	110	D157 T158 F163	D157-Q161 PolarHBondContact O-N 3.06Å; T158-Q161 PolarHBondContact O-N 3.01Å; Q161-F163 PolarHBondContact O-N 3.28Å; Q161-F163 VanDerWaalsContact O-N 3.12Å
162	H	73.9	Confident	65.4	Low	35 Å²	35	52.8 Å²	52.8	16%	0.162	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	58.4	9.4	-172.2	-18.1	84.2	0	0	0	116.4	C51 S52 E55 F160 W164 I165 R166	C51-H162 HydrophobicContact CB-CB 3.7Å; S52-H162 VanDerWaalsContact CA-CD2 3.48Å; S52-H162 WeakPolarHBondContact CA-CD2 3.4Å; S52-H162 PolarHBondContact OG-CE1 3.05Å; S52-H162 PolarHBondContact OG-NE2 3.48Å; E55-H162 WeakPolarHBondContact OE2-CA 3.35Å; E55-H162 IonicContact OE2-CD2 2.76Å; E55-H162 PolarHBondContact OE2-CD2 3.11Å; E55-H162 IonicContact OE2-CG 2.73Å; E55-H162 PolarHBondContact OE2-N 3.43Å; E55-H162 IonicContact OE2-NE2 3.47Å; F160-H162 PolarHBondContact O-N 3.02Å; H162-W164 VanDerWaalsContact C-N 3.35Å; H162-W164 PolarHBondContact O-N 3.24Å; H162-I165 HydrophobicContact CB-CD1 4.44Å; H162-I165 WeakPolarHBondContact O-CB 3.44Å; H162-I165 PolarHBondContact O-N 3.33Å; H162-I165 VanDerWaalsContact O-N 3.09Å; H162-R166 PolarHBondContact O-N 3.44Å; H162-R166 VanDerWaalsContact O-N 3.09Å
163	F	79.8	Confident	67.9	Low	10 Å²	10	51.6 Å²	51.6	4%	0.044	27%	0.266	C	S	.	.	H	α-helix	trans	-59.1	-40.8	-170.9	178.1	-127	0	0	0	113.5	I96 W143 F160 Q161 I165 R166 V167	I96-F163 HydrophobicContact CB-CE1 4.34Å; I96-F163 HydrophobicContact CG1-CD1 4.29Å; I96-F163 HydrophobicContact CG1-CE1 4.06Å; I96-F163 HydrophobicContact CG2-CD1 4.29Å; I96-F163 HydrophobicContact CG2-CE1 4.01Å; W143-F163 AromaticContact CE2-CE2 3.87Å; W143-F163 AromaticContact CH2-CD2 3.37Å; W143-F163 HydrophobicContact CH2-CD2 3.37Å; W143-F163 AromaticContact CH2-CE2 3.59Å; W143-F163 HydrophobicContact CH2-CE2 3.59Å; W143-F163 HydrophobicContact CH2-CG 4.3Å; W143-F163 AromaticContact CZ2-CD2 3.48Å; W143-F163 HydrophobicContact CZ2-CD2 3.48Å; W143-F163 VanDerWaalsContact CZ2-CD2 3.48Å; W143-F163 AromaticContact CZ2-CE2 3.38Å; W143-F163 HydrophobicContact CZ2-CE2 3.38Å; W143-F163 HydrophobicContact CZ3-CD2 4.22Å; W143-F163 HydrophobicContact CZ3-CE2 4.21Å; F160-F163 HydrophobicContact CB-CB 4.31Å; F160-F163 HydrophobicContact CD1-CB 4.23Å; F160-F163 AromaticContact CD1-CD1 3.72Å; F160-F163 HydrophobicContact CD1-CD1 3.72Å; F160-F163 HydrophobicContact CD1-CE1 4.2Å; F160-F163 AromaticContact CD1-CG 3.97Å; F160-F163 HydrophobicContact CD1-CG 3.97Å; F160-F163 HydrophobicContact CE1-CD1 4.27Å; F160-F163 HydrophobicContact CE1-CE1 4.29Å; F160-F163 WeakPolarHBondContact O-CB 3.48Å; F160-F163 PolarHBondContact O-N 2.94Å; Q161-F163 PolarHBondContact O-N 3.28Å; Q161-F163 VanDerWaalsContact O-N 3.12Å; F163-I165 VanDerWaalsContact C-N 3.33Å; F163-I165 PolarHBondContact O-N 3.45Å; F163-R166 WeakPolarHBondContact O-CB 3.1Å; F163-R166 PolarHBondContact O-N 2.89Å; F163-V167 HydrophobicContact CD2-CG2 4.13Å; F163-V167 HydrophobicContact CE1-CG2 4.24Å; F163-V167 HydrophobicContact CE2-CG2 3.71Å; F163-V167 HydrophobicContact CZ-CG2 3.78Å; F163-V167 WeakPolarHBondContact O-CG2 3.1Å; F163-V167 PolarHBondContact O-N 3.14Å
164	W	86.1	Confident	70.2	Confident	9 Å²	9	46 Å²	46	3%	0.034	24%	0.237	C	C	.	.	H	α-helix	trans	-69.1	-31	179.6	79.3	-93.3	0	0	0	113	L58 T75 Y76 C79 I96 H162 R166 V167 S168 L174 I177	L58-W164 HydrophobicContact CD1-CH2 3.76Å; L58-W164 HydrophobicContact CD1-CZ2 3.75Å; T75-W164 PolarHBondContact OG1-NE1 2.94Å; Y76-W164 HydrophobicContact CD2-CB 4.08Å; Y76-W164 HydrophobicContact CD2-CG 4.26Å; C79-W164 VanDerWaalsContact SG-CD2 3.59Å; C79-W164 VanDerWaalsContact SG-CE2 3.52Å; C79-W164 VanDerWaalsContact SG-CE3 3.59Å; C79-W164 VanDerWaalsContact SG-CH2 3.5Å; C79-W164 WeakPolarHBondContact SG-CZ2 3.09Å; C79-W164 VanDerWaalsContact SG-CZ3 3.55Å; I96-W164 HydrophobicContact CD1-CB 3.38Å; H162-W164 VanDerWaalsContact C-N 3.35Å; H162-W164 PolarHBondContact O-N 3.24Å; W164-R166 VanDerWaalsContact C-N 3.34Å; W164-V167 PolarHBondContact O-N 3.39Å; W164-S168 WeakPolarHBondContact O-CB 3.36Å; W164-S168 PolarHBondContact O-N 2.96Å; W164-S168 PolarHBondContact O-OG 2.93Å; W164-L174 HydrophobicContact CH2-CD1 4.26Å; W164-L174 HydrophobicContact CZ3-CD1 4.07Å; W164-I177 HydrophobicContact CZ3-CG2 4.25Å
165	I	87.6	Confident	72.9	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-65.9	-42.4	173.2	-54.5	179.5	0	0	0	108.9	C51 V54 E55 L58 H162 F163 S168 I169 L174	C51-I165 HydrophobicContact CB-CB 4.42Å; C51-I165 HydrophobicContact CB-CG2 4.17Å; V54-I165 HydrophobicContact CB-CG2 4.34Å; V54-I165 HydrophobicContact CG1-CD1 4.38Å; V54-I165 HydrophobicContact CG1-CG2 4.17Å; E55-I165 HydrophobicContact CB-CD1 3.69Å; L58-I165 HydrophobicContact CD1-CD1 4.45Å; H162-I165 HydrophobicContact CB-CD1 4.44Å; H162-I165 WeakPolarHBondContact O-CB 3.44Å; H162-I165 PolarHBondContact O-N 3.33Å; H162-I165 VanDerWaalsContact O-N 3.09Å; F163-I165 VanDerWaalsContact C-N 3.33Å; F163-I165 PolarHBondContact O-N 3.45Å; I165-S168 WeakPolarHBondContact CA-OG 3.17Å; I165-S168 PolarHBondContact O-N 2.91Å; I165-S168 PolarHBondContact O-OG 2.76Å; I165-S168 VanDerWaalsContact O-OG 3.14Å; I165-I169 HydrophobicContact CG2-CD1 4.29Å; I165-I169 WeakPolarHBondContact O-CG1 3.41Å; I165-I169 PolarHBondContact O-N 3.33Å; I165-L174 HydrophobicContact CG2-CD1 4.28Å; I165-L174 HydrophobicContact CG2-CD2 3.72Å
166	R	86.7	Confident	75.5	Confident	29 Å²	29	39.6 Å²	39.6	11%	0.109	20%	0.199	C	C	.	.	H	α-helix	trans	-59.5	-51	173.1	-119.3	168.6	-174.5	-109.8	-10	111.9	E42 S44 I47 H162 F163 W164 S168 I169 Y170	E42-R166 PolarHBondContact O-NH1 3.19Å; E42-R166 PolarHBondContact O-NH2 2.83Å; S44-R166 PolarHBondContact O-NH2 3.43Å; I47-R166 HydrophobicContact CG2-CG 3.97Å; H162-R166 PolarHBondContact O-N 3.44Å; H162-R166 VanDerWaalsContact O-N 3.09Å; F163-R166 WeakPolarHBondContact O-CB 3.1Å; F163-R166 PolarHBondContact O-N 2.89Å; W164-R166 VanDerWaalsContact C-N 3.34Å; R166-S168 VanDerWaalsContact C-N 3.35Å; R166-S168 PolarHBondContact O-N 2.92Å; R166-I169 PolarHBondContact O-N 3.36Å; R166-Y170 HydrophobicContact CB-CE2 4.1Å; R166-Y170 HydrophobicContact CG-CE2 3.88Å; R166-Y170 PolarHBondContact NH1-OH 3.29Å; R166-Y170 WeakPolarHBondContact O-CD2 3.33Å; R166-Y170 VanDerWaalsContact O-CG 3.28Å; R166-Y170 PolarHBondContact O-N 3.25Å; R166-Y170 VanDerWaalsContact O-N 3.08Å
167	V	85.4	Confident	77.9	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-62.6	-38.2	179.2	176.7	0	0	0	0	112.2	T92 R95 I96 Y99 M138 F163 W164 Y170 E171	T92-V167 HydrophobicContact CG2-CB 4.43Å; T92-V167 HydrophobicContact CG2-CG1 4.23Å; R95-V167 HydrophobicContact CB-CG1 3.95Å; I96-V167 HydrophobicContact CG1-CB 4.11Å; I96-V167 HydrophobicContact CG1-CG1 4.16Å; I96-V167 HydrophobicContact CG1-CG2 3.98Å; Y99-V167 HydrophobicContact CD2-CG2 4.3Å; Y99-V167 HydrophobicContact CE2-CG1 4.31Å; M138-V167 HydrophobicContact SD-CG2 4.11Å; F163-V167 HydrophobicContact CD2-CG2 4.13Å; F163-V167 HydrophobicContact CE1-CG2 4.24Å; F163-V167 HydrophobicContact CE2-CG2 3.71Å; F163-V167 HydrophobicContact CZ-CG2 3.78Å; F163-V167 WeakPolarHBondContact O-CG2 3.1Å; F163-V167 PolarHBondContact O-N 3.14Å; W164-V167 PolarHBondContact O-N 3.39Å; V167-Y170 PolarHBondContact O-N 3.48Å; V167-E171 HydrophobicContact CG1-CG 4.37Å; V167-E171 WeakPolarHBondContact O-CB 3.42Å; V167-E171 WeakPolarHBondContact O-CG 3.2Å; V167-E171 PolarHBondContact O-N 3.02Å
168	S	88.1	Confident	80.3	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-74.3	-22.6	177.8	48.2	0	0	0	0	114.5	W164 I165 R166 K172 V173 L174	W164-S168 WeakPolarHBondContact O-CB 3.36Å; W164-S168 PolarHBondContact O-N 2.96Å; W164-S168 PolarHBondContact O-OG 2.93Å; I165-S168 WeakPolarHBondContact CA-OG 3.17Å; I165-S168 PolarHBondContact O-N 2.91Å; I165-S168 PolarHBondContact O-OG 2.76Å; I165-S168 VanDerWaalsContact O-OG 3.14Å; R166-S168 VanDerWaalsContact C-N 3.35Å; R166-S168 PolarHBondContact O-N 2.92Å; S168-K172 PolarHBondContact O-N 3.04Å; S168-V173 WeakPolarHBondContact O-CG2 3.37Å; S168-V173 PolarHBondContact O-N 2.89Å; S168-L174 PolarHBondContact O-N 2.99Å
169	I	88.7	Confident	82.4	Confident	1 Å²	1	31 Å²	31	1%	0.005	14%	0.143	C	C	.	.	H	α-helix	trans	-68.6	-49.7	165.4	-71	166.6	0	0	0	110	L50 I165 R166 E171 K172 L174 Y216	L50-I169 HydrophobicContact CD2-CD1 4.49Å; I165-I169 HydrophobicContact CG2-CD1 4.29Å; I165-I169 WeakPolarHBondContact O-CG1 3.41Å; I165-I169 PolarHBondContact O-N 3.33Å; R166-I169 PolarHBondContact O-N 3.36Å; I169-E171 VanDerWaalsContact C-N 3.31Å; I169-E171 PolarHBondContact O-N 2.87Å; I169-K172 PolarHBondContact O-N 2.83Å; I169-L174 HydrophobicContact CD1-CD2 3.9Å; I169-L174 HydrophobicContact CG1-CB 4.18Å; I169-L174 HydrophobicContact CG1-CD2 3.51Å; I169-L174 HydrophobicContact CG1-CG 4.49Å; I169-Y216 HydrophobicContact CG2-CE2 3.61Å; I169-Y216 VanDerWaalsContact CG2-OH 3.3Å; I169-Y216 WeakPolarHBondContact CG2-OH 3.41Å
170	Y	86.2	Confident	84.4	Confident	10 Å²	10	31 Å²	31	4%	0.039	14%	0.138	C	C	.	.	H	α-helix	trans	-65	-32.8	-179.1	-57.6	-40.4	0	0	0	113	E42 I47 M138 R166 V167 K172 Y216	E42-Y170 HydrophobicContact CG-CE1 4.5Å; E42-Y170 PolarHBondContact O-OH 3.04Å; I47-Y170 HydrophobicContact CD1-CE1 4.26Å; M138-Y170 HydrophobicContact CE-CD2 3.59Å; M138-Y170 HydrophobicContact CE-CE2 3.36Å; M138-Y170 HydrophobicContact CG-CD2 3.6Å; M138-Y170 HydrophobicContact CG-CE2 4.28Å; M138-Y170 HydrophobicContact CG-CG 4.11Å; M138-Y170 HydrophobicContact SD-CD2 3.46Å; M138-Y170 WeakPolarHBondContact SD-CD2 3.42Å; M138-Y170 HydrophobicContact SD-CE2 3.91Å; M138-Y170 HydrophobicContact SD-CG 4.47Å; R166-Y170 HydrophobicContact CB-CE2 4.1Å; R166-Y170 HydrophobicContact CG-CE2 3.88Å; R166-Y170 PolarHBondContact NH1-OH 3.29Å; R166-Y170 WeakPolarHBondContact O-CD2 3.33Å; R166-Y170 VanDerWaalsContact O-CG 3.28Å; R166-Y170 PolarHBondContact O-N 3.25Å; R166-Y170 VanDerWaalsContact O-N 3.08Å; V167-Y170 PolarHBondContact O-N 3.48Å; Y170-K172 VanDerWaalsContact C-N 3.27Å; Y170-K172 PolarHBondContact O-N 3.27Å; Y170-Y216 HydrophobicContact CD1-CD1 4.13Å; Y170-Y216 AromaticContact CD1-CD2 3.55Å; Y170-Y216 HydrophobicContact CD1-CD2 3.55Å; Y170-Y216 HydrophobicContact CD1-CE2 4.14Å; Y170-Y216 AromaticContact CD1-CG 3.51Å; Y170-Y216 HydrophobicContact CD1-CG 3.51Å; Y170-Y216 AromaticContact CE1-CD1 3.72Å; Y170-Y216 HydrophobicContact CE1-CD1 3.72Å; Y170-Y216 HydrophobicContact CE1-CD2 4.03Å; Y170-Y216 HydrophobicContact CE1-CE1 4.27Å; Y170-Y216 AromaticContact CE1-CG 3.56Å; Y170-Y216 HydrophobicContact CE1-CG 3.56Å
171	E	86.2	Confident	86	Confident	33 Å²	33	27.8 Å²	27.8	15%	0.154	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-0.1	171.1	-73.2	-57.4	128.1	0	0	114.7	H91 R95 S137 V167 I169 V173	H91-E171 IonicContact CD2-OE2 3.59Å; H91-E171 IonicContact CE1-OE2 3.96Å; H91-E171 IonicContact NE2-OE2 2.75Å; H91-E171 PolarHBondContact NE2-OE2 3.47Å; R95-E171 WeakPolarHBondContact CD-OE1 3.48Å; R95-E171 WeakPolarHBondContact CD-OE2 3.49Å; R95-E171 HydrophobicContact CG-CG 4.33Å; R95-E171 IonicContact CZ-OE1 3.46Å; R95-E171 IonicContact NE-OE1 2.77Å; R95-E171 PolarHBondContact NE-OE1 3.29Å; R95-E171 IonicContact NH1-OE1 3.44Å; R95-E171 PolarHBondContact NH1-OE1 3.35Å; R95-E171 IonicContact NH1-OE2 3.61Å; S137-E171 WeakPolarHBondContact CB-OE1 3.44Å; S137-E171 PolarHBondContact OG-OE1 3.15Å; V167-E171 HydrophobicContact CG1-CG 4.37Å; V167-E171 WeakPolarHBondContact O-CB 3.42Å; V167-E171 WeakPolarHBondContact O-CG 3.2Å; V167-E171 PolarHBondContact O-N 3.02Å; I169-E171 VanDerWaalsContact C-N 3.31Å; I169-E171 PolarHBondContact O-N 2.87Å; E171-V173 VanDerWaalsContact C-N 3.34Å; E171-V173 HydrophobicContact CB-CG2 3.85Å; E171-V173 PolarHBondContact O-N 3.26Å
172	K	90.3	Very high	87.3	Confident	70 Å²	70	22.4 Å²	22.4	30%	0.304	10%	0.1	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.1	44.1	175.9	-48.2	-163.9	-175.1	-167	0	112.1	S168 I169 Y170 K176 C212 T213 I214 D215	S168-K172 PolarHBondContact O-N 3.04Å; I169-K172 PolarHBondContact O-N 2.83Å; Y170-K172 VanDerWaalsContact C-N 3.27Å; Y170-K172 PolarHBondContact O-N 3.27Å; K172-K176 PolarHBondContact O-NZ 3.11Å; K172-C212 WeakPolarHBondContact CB-O 3.41Å; K172-C212 VanDerWaalsContact CD-O 3.26Å; K172-C212 WeakPolarHBondContact CD-O 3.29Å; K172-C212 WeakPolarHBondContact CG-O 3.48Å; K172-T213 PolarHBondContact NZ-O 2.94Å; K172-I214 WeakPolarHBondContact CE-O 3.28Å; K172-I214 PolarHBondContact NZ-O 3.37Å; K172-D215 IonicContact NZ-OD2 2.67Å; K172-D215 PolarHBondContact NZ-OD2 3.06Å
173	V	90.1	Very high	87.9	Confident	11 Å²	11	25.2 Å²	25.2	7%	0.067	12%	0.117	C	C	.	.			trans	-135.1	-9.3	-177.1	-67.6	0	0	0	0	116.3	E88 S168 E171 D175 K176 I177	E88-V173 HydrophobicContact CB-CB 4.14Å; E88-V173 HydrophobicContact CB-CG1 4.3Å; E88-V173 HydrophobicContact CG-CB 4.29Å; E88-V173 HydrophobicContact CG-CG1 4.1Å; S168-V173 WeakPolarHBondContact O-CG2 3.37Å; S168-V173 PolarHBondContact O-N 2.89Å; E171-V173 VanDerWaalsContact C-N 3.34Å; E171-V173 HydrophobicContact CB-CG2 3.85Å; E171-V173 PolarHBondContact O-N 3.26Å; V173-D175 PolarHBondContact O-N 3.36Å; V173-K176 HydrophobicContact CB-CD 4.46Å; V173-K176 HydrophobicContact CG1-CD 4.29Å; V173-K176 WeakPolarHBondContact O-CB 3.38Å; V173-K176 PolarHBondContact O-N 3.46Å; V173-K176 VanDerWaalsContact O-N 3.11Å; V173-I177 HydrophobicContact CG2-CD1 4.13Å; V173-I177 WeakPolarHBondContact O-CG1 3.09Å; V173-I177 PolarHBondContact O-N 3.39Å; V173-I177 VanDerWaalsContact O-N 3.15Å
174	L	91.8	Very high	88.2	Confident	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-57.5	-36.6	-177.1	176.4	64.4	0	0	0	112.8	V54 W164 I165 S168 I169 K176 I177 V178 L208	V54-L174 HydrophobicContact CG1-CD2 4.4Å; W164-L174 HydrophobicContact CH2-CD1 4.26Å; W164-L174 HydrophobicContact CZ3-CD1 4.07Å; I165-L174 HydrophobicContact CG2-CD1 4.28Å; I165-L174 HydrophobicContact CG2-CD2 3.72Å; S168-L174 PolarHBondContact O-N 2.99Å; I169-L174 HydrophobicContact CD1-CD2 3.9Å; I169-L174 HydrophobicContact CG1-CB 4.18Å; I169-L174 HydrophobicContact CG1-CD2 3.51Å; I169-L174 HydrophobicContact CG1-CG 4.49Å; L174-K176 PolarHBondContact O-N 3.17Å; L174-I177 PolarHBondContact O-N 3.22Å; L174-V178 HydrophobicContact CD1-CG2 4.07Å; L174-V178 HydrophobicContact CG-CG2 4.38Å; L174-V178 WeakPolarHBondContact O-CG2 3.14Å; L174-V178 PolarHBondContact O-N 3.33Å; L174-L208 HydrophobicContact CD2-CD1 4.19Å; L174-L208 HydrophobicContact CD2-CD2 4.4Å; L174-L208 HydrophobicContact CG-CD1 4.32Å
175	D	90	Very high	88	Confident	20 Å²	20	27 Å²	27	11%	0.107	13%	0.129	C	C	.	.	H	α-helix	trans	-56.4	-48.2	174.9	65.4	-34.2	0	0	0	112.1	V173 I177 V178 K179 S205 R209	V173-D175 PolarHBondContact O-N 3.36Å; D175-I177 VanDerWaalsContact C-N 3.34Å; D175-I177 PolarHBondContact O-N 3.23Å; D175-V178 PolarHBondContact O-N 3.47Å; D175-K179 WeakPolarHBondContact O-CB 2.83Å; D175-K179 PolarHBondContact O-N 2.97Å; D175-S205 PolarHBondContact O-OG 3.43Å; D175-R209 HydrophobicContact CB-CB 4.15Å
176	K	89.9	Confident	87.6	Confident	95 Å²	95	32.5 Å²	32.5	41%	0.413	16%	0.157	S	C	.	.	H	α-helix	trans	-63	-38.9	176.9	-60.3	161.1	-168.6	152.5	0	112.2	E88 K172 V173 L174 K179 Y180	E88-K176 HydrophobicContact CG-CB 4.09Å; E88-K176 HydrophobicContact CG-CD 3.83Å; K172-K176 PolarHBondContact O-NZ 3.11Å; V173-K176 HydrophobicContact CB-CD 4.46Å; V173-K176 HydrophobicContact CG1-CD 4.29Å; V173-K176 WeakPolarHBondContact O-CB 3.38Å; V173-K176 PolarHBondContact O-N 3.46Å; V173-K176 VanDerWaalsContact O-N 3.11Å; L174-K176 PolarHBondContact O-N 3.17Å; K176-K179 WeakPolarHBondContact O-CB 3.27Å; K176-K179 PolarHBondContact O-N 3.26Å; K176-Y180 PolarHBondContact O-N 3.47Å
177	I	90.1	Very high	87.4	Confident	3 Å²	3	36.4 Å²	36.4	2%	0.015	18%	0.177	C	C	.	.	H	α-helix	trans	-66.4	-45.6	178.8	-62.8	171.6	0	0	0	110.3	E88 V89 W164 V173 L174 D175 K179 Y180 L181	E88-I177 HydrophobicContact CB-CG1 4.04Å; V89-I177 HydrophobicContact CG2-CB 4.28Å; V89-I177 HydrophobicContact CG2-CD1 3.95Å; V89-I177 HydrophobicContact CG2-CG1 3.7Å; V89-I177 HydrophobicContact CG2-CG2 3.72Å; W164-I177 HydrophobicContact CZ3-CG2 4.25Å; V173-I177 HydrophobicContact CG2-CD1 4.13Å; V173-I177 WeakPolarHBondContact O-CG1 3.09Å; V173-I177 PolarHBondContact O-N 3.39Å; V173-I177 VanDerWaalsContact O-N 3.15Å; L174-I177 PolarHBondContact O-N 3.22Å; D175-I177 VanDerWaalsContact C-N 3.34Å; D175-I177 PolarHBondContact O-N 3.23Å; I177-K179 VanDerWaalsContact C-N 3.32Å; I177-Y180 PolarHBondContact O-N 3.42Å; I177-L181 HydrophobicContact CG2-CD1 4.39Å; I177-L181 WeakPolarHBondContact O-CG 3.42Å; I177-L181 PolarHBondContact O-N 3.32Å; I177-L181 VanDerWaalsContact O-N 3.1Å
178	V	89.8	Confident	87.2	Confident	1 Å²	1	37.1 Å²	37.1	1%	0.006	18%	0.18	C	C	.	.	H	α-helix	trans	-65.8	-36.7	175.4	175.4	0	0	0	0	111.1	L174 D175 L181 A182 I195 I204 L208	L174-V178 HydrophobicContact CD1-CG2 4.07Å; L174-V178 HydrophobicContact CG-CG2 4.38Å; L174-V178 WeakPolarHBondContact O-CG2 3.14Å; L174-V178 PolarHBondContact O-N 3.33Å; D175-V178 PolarHBondContact O-N 3.47Å; V178-L181 WeakPolarHBondContact O-CB 3.11Å; V178-L181 PolarHBondContact O-N 2.7Å; V178-A182 PolarHBondContact O-N 2.77Å; V178-I195 HydrophobicContact CG1-CD1 4.31Å; V178-I204 HydrophobicContact CG1-CG2 4.22Å; V178-L208 HydrophobicContact CG2-CD1 3.91Å
179	K	88.8	Confident	87.1	Confident	82 Å²	82	37.1 Å²	37.1	36%	0.357	18%	0.18	S	C	.	.	H	α-helix	trans	-59.4	-50.5	173.1	-175.8	157.5	176.7	40.9	0	112.4	D175 K176 I177 L181 A182 D183 S205	D175-K179 WeakPolarHBondContact O-CB 2.83Å; D175-K179 PolarHBondContact O-N 2.97Å; K176-K179 WeakPolarHBondContact O-CB 3.27Å; K176-K179 PolarHBondContact O-N 3.26Å; I177-K179 VanDerWaalsContact C-N 3.32Å; K179-L181 PolarHBondContact O-N 3.26Å; K179-A182 PolarHBondContact O-N 2.92Å; K179-A182 VanDerWaalsContact O-N 3.13Å; K179-D183 WeakPolarHBondContact CE-OD2 3.31Å; K179-D183 WeakPolarHBondContact CG-OD2 3.44Å; K179-D183 IonicContact NZ-OD1 2.65Å; K179-D183 PolarHBondContact NZ-OD1 3.46Å; K179-D183 IonicContact NZ-OD2 2.67Å; K179-D183 PolarHBondContact NZ-OD2 3.02Å; K179-D183 WeakPolarHBondContact O-CB 3.46Å; K179-D183 VanDerWaalsContact O-CG 3.28Å; K179-D183 PolarHBondContact O-N 3.33Å; K179-S205 WeakPolarHBondContact CB-OG 3.4Å
180	Y	89	Confident	86.8	Confident	46 Å²	46	40 Å²	40	18%	0.18	19%	0.193	C	C	.	.	H	α-helix	trans	-57.2	-39.7	176.7	178.3	-86.9	0	0	0	111.9	I82 L85 C86 K176 I177 N184 Y188	I82-Y180 HydrophobicContact CG1-CE1 4.48Å; I82-Y180 HydrophobicContact CG2-CD1 3.77Å; I82-Y180 HydrophobicContact CG2-CE1 3.55Å; L85-Y180 WeakPolarHBondContact CB-OH 3.38Å; C86-Y180 HydrophobicContact CB-CD1 4.3Å; C86-Y180 HydrophobicContact CB-CD2 4.18Å; C86-Y180 HydrophobicContact CB-CE2 4.43Å; C86-Y180 HydrophobicContact CB-CG 4.13Å; K176-Y180 PolarHBondContact O-N 3.47Å; I177-Y180 PolarHBondContact O-N 3.42Å; Y180-N184 HydrophobicContact CE1-CB 4.36Å; Y180-N184 WeakPolarHBondContact CE2-ND2 3.38Å; Y180-N184 WeakPolarHBondContact O-CB 3.39Å; Y180-N184 PolarHBondContact O-N 2.73Å; Y180-N184 PolarHBondContact O-ND2 2.77Å; Y180-Y188 HydrophobicContact CE1-CE2 4.16Å
181	L	88	Confident	86.4	Confident	4 Å²	4	43.6 Å²	43.6	2%	0.021	22%	0.218	C	C	.	.	H	α-helix	trans	-66.3	-37.4	176.7	-74.7	170.3	0	0	0	113.2	L58 L78 I82 I177 V178 K179 S185 Y188 Y189 I195	L58-L181 HydrophobicContact CD2-CD1 3.75Å; L78-L181 HydrophobicContact CD2-CD2 4.08Å; L78-L181 HydrophobicContact CG-CD2 4.45Å; I82-L181 HydrophobicContact CD1-CD2 3.29Å; I82-L181 HydrophobicContact CD1-CG 4.39Å; I177-L181 HydrophobicContact CG2-CD1 4.39Å; I177-L181 WeakPolarHBondContact O-CG 3.42Å; I177-L181 PolarHBondContact O-N 3.32Å; I177-L181 VanDerWaalsContact O-N 3.1Å; V178-L181 WeakPolarHBondContact O-CB 3.11Å; V178-L181 PolarHBondContact O-N 2.7Å; K179-L181 PolarHBondContact O-N 3.26Å; L181-S185 WeakPolarHBondContact O-CA 3.39Å; L181-S185 VanDerWaalsContact O-CB 3.3Å; L181-S185 WeakPolarHBondContact O-CB 3.35Å; L181-S185 PolarHBondContact O-N 2.66Å; L181-Y188 HydrophobicContact CD2-CD2 4.34Å; L181-Y189 HydrophobicContact CB-CE2 4.46Å; L181-Y189 HydrophobicContact CD2-CE2 4.16Å; L181-I195 HydrophobicContact CB-CG2 4.05Å; L181-I195 WeakPolarHBondContact O-CG2 3.36Å
182	A	87.1	Confident	86	Confident	11 Å²	11	47.8 Å²	47.8	9%	0.091	23%	0.232	C	C	.	.	H	α-helix	trans	-69.4	-48.9	174.1	0	0	0	0	0	111.3	V178 K179 N184 S185 I195 L202	V178-A182 PolarHBondContact O-N 2.77Å; K179-A182 PolarHBondContact O-N 2.92Å; K179-A182 VanDerWaalsContact O-N 3.13Å; A182-N184 PolarHBondContact O-N 3.3Å; A182-S185 WeakPolarHBondContact O-CB 3.49Å; A182-S185 PolarHBondContact O-N 3.16Å; A182-S185 VanDerWaalsContact O-N 3.14Å; A182-S185 PolarHBondContact O-OG 3.41Å; A182-I195 HydrophobicContact CB-CG2 4.5Å; A182-L202 HydrophobicContact CB-CD2 4.49Å
183	D	86.6	Confident	85.8	Confident	95 Å²	95	44.5 Å²	44.5	51%	0.508	22%	0.218	S	C	.	.	H	α-helix	trans	-63	-28.2	-178.9	-65.4	-21.3	0	0	0	112.2	K179	K179-D183 WeakPolarHBondContact CE-OD2 3.31Å; K179-D183 WeakPolarHBondContact CG-OD2 3.44Å; K179-D183 IonicContact NZ-OD1 2.65Å; K179-D183 PolarHBondContact NZ-OD1 3.46Å; K179-D183 IonicContact NZ-OD2 2.67Å; K179-D183 PolarHBondContact NZ-OD2 3.02Å; K179-D183 WeakPolarHBondContact O-CB 3.46Å; K179-D183 VanDerWaalsContact O-CG 3.28Å; K179-D183 PolarHBondContact O-N 3.33Å
184	N	85.8	Confident	85.4	Confident	43 Å²	43	44 Å²	44	23%	0.23	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110	15	176.9	-64.9	-91.4	0	0	0	113.7	Y180 A182 L186 Q187 Y188	Y180-N184 HydrophobicContact CE1-CB 4.36Å; Y180-N184 WeakPolarHBondContact CE2-ND2 3.38Å; Y180-N184 WeakPolarHBondContact O-CB 3.39Å; Y180-N184 PolarHBondContact O-N 2.73Å; Y180-N184 PolarHBondContact O-ND2 2.77Å; A182-N184 PolarHBondContact O-N 3.3Å; N184-L186 VanDerWaalsContact C-N 3.33Å; N184-L186 PolarHBondContact O-N 3.47Å; N184-L186 VanDerWaalsContact O-N 3.15Å; N184-Q187 WeakPolarHBondContact O-CB 3.36Å; N184-Q187 PolarHBondContact O-N 2.76Å; N184-Q187 PolarHBondContact OD1-NE2 3.48Å; N184-Y188 HydrophobicContact CB-CD2 4.35Å; N184-Y188 HydrophobicContact CB-CE2 3.92Å
185	S	81.7	Confident	85.2	Confident	14 Å²	14	44 Å²	44	10%	0.098	22%	0.215	C	C	.	.	H	α-helix	trans	-52.9	-42.3	-166.2	51.7	0	0	0	0	114.7	L181 A182 Q187 Y188 Y189 I195	L181-S185 WeakPolarHBondContact O-CA 3.39Å; L181-S185 VanDerWaalsContact O-CB 3.3Å; L181-S185 WeakPolarHBondContact O-CB 3.35Å; L181-S185 PolarHBondContact O-N 2.66Å; A182-S185 WeakPolarHBondContact O-CB 3.49Å; A182-S185 PolarHBondContact O-N 3.16Å; A182-S185 VanDerWaalsContact O-N 3.14Å; A182-S185 PolarHBondContact O-OG 3.41Å; S185-Q187 PolarHBondContact O-N 2.96Å; S185-Y188 PolarHBondContact O-N 2.99Å; S185-Y189 PolarHBondContact O-N 3.07Å; S185-I195 VanDerWaalsContact CB-O 3.29Å; S185-I195 WeakPolarHBondContact CB-O 3.48Å
186	L	80.2	Confident	84.8	Confident	115 Å²	115	43.6 Å²	43.6	60%	0.602	22%	0.215	S	C	*	.	H	α-helix	trans	-60.3	-12.3	179.1	-67	178	0	0	0	114.8	R63 N184	R63-L186 PolarHBondContact NH1-O 3.49Å; R63-L186 PolarHBondContact NH2-O 3.16Å; R63-L186 VanDerWaalsContact NH2-O 3.17Å; N184-L186 VanDerWaalsContact C-N 3.33Å; N184-L186 PolarHBondContact O-N 3.47Å; N184-L186 VanDerWaalsContact O-N 3.15Å
187	Q	81	Confident	84.5	Confident	111 Å²	111	40.4 Å²	40.4	52%	0.519	20%	0.202	S	C	.	.	H	α-helix	trans	-83.5	-37.1	171.2	-57.6	-174.8	42.2	0	0	112.2	R63 N184 S185	R63-Q187 PolarHBondContact NH1-O 3.47Å; N184-Q187 WeakPolarHBondContact O-CB 3.36Å; N184-Q187 PolarHBondContact O-N 2.76Å; N184-Q187 PolarHBondContact OD1-NE2 3.48Å; S185-Q187 PolarHBondContact O-N 2.96Å
188	Y	82.1	Confident	83.7	Confident	15 Å²	15	45.5 Å²	45.5	6%	0.059	24%	0.235	C	C	.	.	H	α-helix	trans	-107.9	-24.3	-167.4	-54.7	-64.8	0	0	0	114.4	R63 I66 L78 I82 Y180 L181 N184 S185	R63-Y188 PolarHBondContact N-O 3.33Å; I66-Y188 HydrophobicContact CD1-CD1 4.33Å; I66-Y188 WeakPolarHBondContact CD1-O 3.29Å; L78-Y188 HydrophobicContact CD1-CD1 3.94Å; L78-Y188 HydrophobicContact CD1-CG 4.19Å; I82-Y188 HydrophobicContact CD1-CD1 4.36Å; I82-Y188 HydrophobicContact CD1-CD2 4.15Å; I82-Y188 HydrophobicContact CD1-CE1 4.18Å; I82-Y188 HydrophobicContact CD1-CE2 3.95Å; I82-Y188 HydrophobicContact CD1-CG 4.36Å; I82-Y188 HydrophobicContact CG1-CE1 3.98Å; I82-Y188 HydrophobicContact CG1-CE2 4.2Å; Y180-Y188 HydrophobicContact CE1-CE2 4.16Å; L181-Y188 HydrophobicContact CD2-CD2 4.34Å; N184-Y188 HydrophobicContact CB-CD2 4.35Å; N184-Y188 HydrophobicContact CB-CE2 3.92Å; S185-Y188 PolarHBondContact O-N 2.99Å
189	Y	86.2	Confident	83.2	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	26%	0.264	C	S	.	.	B	Isolated β-bridge	trans	-120.5	154	-173.3	-68.7	-85.6	0	0	0	112.1	L58 G61 I62 R63 L181 S185 S193 I195	L58-Y189 VanDerWaalsContact O-CE1 3.31Å; L58-Y189 WeakPolarHBondContact O-CE1 3.3Å; L58-Y189 PolarHBondContact O-OH 3.2Å; L58-Y189 VanDerWaalsContact O-OH 3.09Å; G61-Y189 CarbonylContact O-C 3.58Å; G61-Y189 WeakPolarHBondContact O-CA 3.28Å; I62-Y189 HydrophobicContact CB-CE1 4.47Å; I62-Y189 HydrophobicContact CG1-CD1 4.24Å; I62-Y189 HydrophobicContact CG1-CE1 3.66Å; R63-Y189 PolarHBondContact NE-O 3.45Å; R63-Y189 PolarHBondContact NH2-O 2.78Å; L181-Y189 HydrophobicContact CB-CE2 4.46Å; L181-Y189 HydrophobicContact CD2-CE2 4.16Å; S185-Y189 PolarHBondContact O-N 3.07Å; Y189-S193 WeakPolarHBondContact CD1-OG 3.38Å; Y189-I195 HydrophobicContact CD1-CB 4.34Å; Y189-I195 HydrophobicContact CD2-CB 4.04Å; Y189-I195 HydrophobicContact CD2-CG2 3.77Å; Y189-I195 HydrophobicContact CE1-CB 4.19Å; Y189-I195 HydrophobicContact CE1-CG1 4.28Å; Y189-I195 HydrophobicContact CE2-CB 3.89Å; Y189-I195 HydrophobicContact CE2-CG1 4.39Å; Y189-I195 HydrophobicContact CE2-CG2 3.51Å; Y189-I195 HydrophobicContact CG-CB 4.27Å; Y189-I195 HydrophobicContact CG-CG2 4.48Å
190	E	81.2	Confident	82.9	Confident	60 Å²	60	47.8 Å²	47.8	28%	0.28	26%	0.255	S	S	.	.			trans	-74.6	151.8	165	-55.8	-59	174.5	0	0	110.8	G61 R63 W192 S193 A196	G61-E190 PolarHBondContact O-N 3.21Å; R63-E190 VanDerWaalsContact CD-CD 3.47Å; R63-E190 WeakPolarHBondContact CD-OE1 3.27Å; R63-E190 WeakPolarHBondContact CD-OE2 3.34Å; R63-E190 VanDerWaalsContact CG-CD 3.5Å; R63-E190 HydrophobicContact CG-CG 4.12Å; R63-E190 VanDerWaalsContact CG-OE1 3.27Å; R63-E190 WeakPolarHBondContact CG-OE1 3.18Å; R63-E190 IonicContact CZ-OE2 3.37Å; R63-E190 VanDerWaalsContact NE-CD 3.34Å; R63-E190 IonicContact NE-OE1 2.65Å; R63-E190 IonicContact NE-OE2 3.7Å; R63-E190 PolarHBondContact NE-OE2 2.73Å; R63-E190 IonicContact NH2-OE2 2.73Å; E190-W192 HydrophobicContact CB-CD2 4.21Å; E190-W192 HydrophobicContact CB-CG 4.35Å; E190-W192 HydrophobicContact CB-CZ2 4.04Å; E190-W192 HydrophobicContact CG-CZ2 4.03Å; E190-W192 PolarHBondContact O-N 3.31Å; E190-S193 VanDerWaalsContact O-CB 3.3Å; E190-S193 WeakPolarHBondContact O-CB 3.39Å; E190-S193 PolarHBondContact O-N 3.01Å; E190-A196 WeakPolarHBondContact O-CB 3.41Å
191	P	78.8	Confident	82.5	Confident	87 Å²	87	45.6 Å²	45.6	57%	0.565	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-16.5	-173.3	-25.3	35.8	0	0	0	115.9
192	W	78.1	Confident	82.4	Confident	121 Å²	121	48.6 Å²	48.6	46%	0.458	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88	-5	176.9	49.6	-97.7	0	0	0	113.8	K16 Y60 G61 E190	K16-W192 WeakPolarHBondContact CE-O 3.43Å; Y60-W192 HydrophobicContact CD1-CZ3 4.46Å; Y60-W192 HydrophobicContact CD2-CZ3 4.39Å; Y60-W192 AromaticContact CE1-CE3 3.88Å; Y60-W192 HydrophobicContact CE1-CE3 3.88Å; Y60-W192 HydrophobicContact CE1-CZ3 4.09Å; Y60-W192 HydrophobicContact CE2-CE3 4.42Å; Y60-W192 AromaticContact CE2-CZ3 3.97Å; Y60-W192 HydrophobicContact CE2-CZ3 3.97Å; Y60-W192 AromaticContact CZ-CE3 3.8Å; Y60-W192 AromaticContact CZ-CZ3 3.83Å; G61-W192 VanDerWaalsContact CA-CZ3 3.47Å; E190-W192 HydrophobicContact CB-CD2 4.21Å; E190-W192 HydrophobicContact CB-CG 4.35Å; E190-W192 HydrophobicContact CB-CZ2 4.04Å; E190-W192 HydrophobicContact CG-CZ2 4.03Å; E190-W192 PolarHBondContact O-N 3.31Å
193	S	84.6	Confident	82.3	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	28%	0.276	C	S	.	.	S	Bend	trans	-62	151.5	175.5	178.5	0	0	0	0	112.8	Y60 Y189 E190 I195 A196 D197	Y60-S193 VanDerWaalsContact O-CB 3.3Å; Y60-S193 WeakPolarHBondContact O-CB 3.5Å; Y60-S193 PolarHBondContact O-OG 2.77Å; Y189-S193 WeakPolarHBondContact CD1-OG 3.38Å; E190-S193 VanDerWaalsContact O-CB 3.3Å; E190-S193 WeakPolarHBondContact O-CB 3.39Å; E190-S193 PolarHBondContact O-N 3.01Å; S193-I195 PolarHBondContact O-N 3.48Å; S193-I195 PolarHBondContact OG-N 3.15Å; S193-I195 VanDerWaalsContact OG-N 3.11Å; S193-A196 PolarHBondContact O-N 3Å; S193-D197 PolarHBondContact O-N 3.39Å
194	V	83.7	Confident	82.3	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-33.9	168	176.6	0	0	0	0	111.7	K16 L19 V57 Y60 D197 G201 I204	K16-V194 HydrophobicContact CB-CG2 4.08Å; K16-V194 HydrophobicContact CG-CG2 3.8Å; L19-V194 HydrophobicContact CB-CG2 4.44Å; L19-V194 HydrophobicContact CD1-CG2 4.01Å; V57-V194 HydrophobicContact CG1-CB 4.3Å; V57-V194 HydrophobicContact CG1-CG1 3.97Å; Y60-V194 HydrophobicContact CD1-CG2 3.82Å; Y60-V194 HydrophobicContact CE1-CG2 4.27Å; V194-D197 WeakPolarHBondContact O-CB 3.42Å; V194-G201 PolarHBondContact O-N 3.19Å; V194-I204 HydrophobicContact CG1-CD1 3.44Å; V194-I204 VanDerWaalsContact CG1-CD1 3.44Å
195	I	85.6	Confident	82.4	Confident	1 Å²	1	45.3 Å²	45.3	1%	0.005	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-25.2	-178.9	-60.6	-61.8	0	0	0	112.1	V57 L58 V178 L181 A182 S185 Y189 S193 D197	V57-I195 HydrophobicContact CG1-CD1 3.76Å; V57-I195 HydrophobicContact CG1-CG1 4.12Å; L58-I195 HydrophobicContact CD2-CD1 4.32Å; L58-I195 HydrophobicContact CD2-CG1 4.34Å; V178-I195 HydrophobicContact CG1-CD1 4.31Å; L181-I195 HydrophobicContact CB-CG2 4.05Å; L181-I195 WeakPolarHBondContact O-CG2 3.36Å; A182-I195 HydrophobicContact CB-CG2 4.5Å; S185-I195 VanDerWaalsContact CB-O 3.29Å; S185-I195 WeakPolarHBondContact CB-O 3.48Å; Y189-I195 HydrophobicContact CD1-CB 4.34Å; Y189-I195 HydrophobicContact CD2-CB 4.04Å; Y189-I195 HydrophobicContact CD2-CG2 3.77Å; Y189-I195 HydrophobicContact CE1-CB 4.19Å; Y189-I195 HydrophobicContact CE1-CG1 4.28Å; Y189-I195 HydrophobicContact CE2-CB 3.89Å; Y189-I195 HydrophobicContact CE2-CG1 4.39Å; Y189-I195 HydrophobicContact CE2-CG2 3.51Å; Y189-I195 HydrophobicContact CG-CB 4.27Å; Y189-I195 HydrophobicContact CG-CG2 4.48Å; S193-I195 PolarHBondContact O-N 3.48Å; S193-I195 PolarHBondContact OG-N 3.15Å; S193-I195 VanDerWaalsContact OG-N 3.11Å; I195-D197 VanDerWaalsContact C-N 3.29Å
196	A	83.6	Confident	82.7	Confident	12 Å²	12	49.4 Å²	49.4	10%	0.099	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-10.2	172.3	0	0	0	0	0	113.7	E190 S193 P198	E190-A196 WeakPolarHBondContact O-CB 3.41Å; S193-A196 PolarHBondContact O-N 3Å; A196-P198 WeakPolarHBondContact O-CD 3.17Å
197	D	81.6	Confident	83.1	Confident	27 Å²	27	46 Å²	46	14%	0.144	25%	0.246	C	C	.	.	S	Bend	trans	-73.4	120.3	174.7	-165.8	-69.9	0	0	0	110.6	K16 S193 V194 I195 C199 Y200 G201	K16-D197 IonicContact NZ-OD2 3.07Å; K16-D197 PolarHBondContact NZ-OD2 3.47Å; S193-D197 PolarHBondContact O-N 3.39Å; V194-D197 WeakPolarHBondContact O-CB 3.42Å; I195-D197 VanDerWaalsContact C-N 3.29Å; D197-C199 PolarHBondContact O-N 3.16Å; D197-C199 WeakPolarHBondContact OD1-CB 3.3Å; D197-C199 PolarHBondContact OD1-N 3.32Å; D197-Y200 HydrophobicContact CB-CD2 4.13Å; D197-Y200 HydrophobicContact CB-CG 4.35Å; D197-Y200 PolarHBondContact O-N 3.29Å; D197-Y200 PolarHBondContact OD1-N 3.17Å; D197-G201 PolarHBondContact O-N 2.88Å
198	P	74.1	Confident	83.5	Confident	111 Å²	111	40.8 Å²	40.8	72%	0.721	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-22	-177.1	-25.7	35.2	0	0	0	114.5	A196	A196-P198 WeakPolarHBondContact O-CD 3.17Å
199	C	79.7	Confident	83.8	Confident	90 Å²	90	47.5 Å²	47.5	61%	0.608	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.1	-48.9	177.5	-64.5	0	0	0	0	111.5	D197 L203	D197-C199 PolarHBondContact O-N 3.16Å; D197-C199 WeakPolarHBondContact OD1-CB 3.3Å; D197-C199 PolarHBondContact OD1-N 3.32Å; C199-L203 VanDerWaalsContact O-CB 3.27Å; C199-L203 WeakPolarHBondContact O-CB 3.32Å; C199-L203 PolarHBondContact O-N 2.85Å; C199-L203 VanDerWaalsContact O-N 3.15Å
200	Y	81.9	Confident	83.8	Confident	40 Å²	40	48.6 Å²	48.6	16%	0.157	26%	0.258	C	S	.	.	H	α-helix	trans	-75.6	-33.8	-172.8	-58.1	-31.4	0	0	0	114	Q13 K16 L20 D197 L202 L203 I204	Q13-Y200 PolarHBondContact NE2-OH 2.69Å; K16-Y200 HydrophobicContact CB-CD2 4.25Å; K16-Y200 HydrophobicContact CB-CE2 4.01Å; K16-Y200 HydrophobicContact CD-CD2 4.16Å; K16-Y200 HydrophobicContact CD-CE2 4.07Å; L20-Y200 HydrophobicContact CD2-CD1 3.62Å; L20-Y200 HydrophobicContact CD2-CE1 3.74Å; L20-Y200 HydrophobicContact CD2-CG 4.16Å; D197-Y200 HydrophobicContact CB-CD2 4.13Å; D197-Y200 HydrophobicContact CB-CG 4.35Å; D197-Y200 PolarHBondContact O-N 3.29Å; D197-Y200 PolarHBondContact OD1-N 3.17Å; Y200-L202 PolarHBondContact O-N 3.25Å; Y200-L203 PolarHBondContact O-N 3.47Å; Y200-I204 WeakPolarHBondContact O-CG1 3.3Å; Y200-I204 PolarHBondContact O-N 3.47Å
201	G	81.8	Confident	84.1	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-60.7	-46.4	178.3	0	0	0	0	0	112.6	V194 D197 S205	V194-G201 PolarHBondContact O-N 3.19Å; D197-G201 PolarHBondContact O-N 2.88Å; G201-S205 PolarHBondContact O-N 3.36Å
202	L	84.1	Confident	84.5	Confident	67 Å²	67	42 Å²	42	35%	0.351	22%	0.22	S	C	.	.	H	α-helix	trans	-68.9	-42.1	175.9	-68.9	175	0	0	0	112.2	A182 Y200 I204 S205 D206	A182-L202 HydrophobicContact CB-CD2 4.49Å; Y200-L202 PolarHBondContact O-N 3.25Å; L202-I204 VanDerWaalsContact C-N 3.27Å; L202-I204 PolarHBondContact O-N 2.86Å; L202-S205 WeakPolarHBondContact O-CB 3.41Å; L202-S205 PolarHBondContact O-N 2.99Å; L202-S205 VanDerWaalsContact O-N 3.16Å; L202-D206 PolarHBondContact O-N 3.23Å
203	L	85.7	Confident	84.9	Confident	73 Å²	73	41 Å²	41	38%	0.382	23%	0.227	S	C	.	.	H	α-helix	trans	-60	-35.3	178.4	-179.9	62.2	0	0	0	112.7	L20 C199 Y200 L207	L20-L203 HydrophobicContact CD1-CD2 4.2Å; L20-L203 HydrophobicContact CD2-CD2 4.06Å; C199-L203 VanDerWaalsContact O-CB 3.27Å; C199-L203 WeakPolarHBondContact O-CB 3.32Å; C199-L203 PolarHBondContact O-N 2.85Å; C199-L203 VanDerWaalsContact O-N 3.15Å; Y200-L203 PolarHBondContact O-N 3.47Å; L203-L207 WeakPolarHBondContact O-CB 3.43Å; L203-L207 PolarHBondContact O-N 3.46Å
204	I	87.4	Confident	84.8	Confident	2 Å²	2	41.7 Å²	41.7	1%	0.01	23%	0.231	C	C	.	.	H	α-helix	trans	-74.2	-36.9	177.5	-66.6	176	0	0	0	111.2	L20 V57 V178 V194 Y200 L202 L207 L208	L20-I204 HydrophobicContact CD1-CD1 3.94Å; L20-I204 HydrophobicContact CD1-CG1 3.59Å; V57-I204 HydrophobicContact CG1-CD1 3.76Å; V57-I204 HydrophobicContact CG2-CD1 4.2Å; V178-I204 HydrophobicContact CG1-CG2 4.22Å; V194-I204 HydrophobicContact CG1-CD1 3.44Å; V194-I204 VanDerWaalsContact CG1-CD1 3.44Å; Y200-I204 WeakPolarHBondContact O-CG1 3.3Å; Y200-I204 PolarHBondContact O-N 3.47Å; L202-I204 VanDerWaalsContact C-N 3.27Å; L202-I204 PolarHBondContact O-N 2.86Å; I204-L207 PolarHBondContact O-N 3.2Å; I204-L208 HydrophobicContact CG2-CD1 3.9Å; I204-L208 HydrophobicContact CG2-CG 4.41Å; I204-L208 WeakPolarHBondContact O-CB 3.35Å; I204-L208 VanDerWaalsContact O-CG 3.27Å; I204-L208 WeakPolarHBondContact O-CG 3.43Å; I204-L208 PolarHBondContact O-N 3.45Å
205	S	87.6	Confident	84.6	Confident	5 Å²	5	45.4 Å²	45.4	4%	0.035	25%	0.251	C	S	.	.	H	α-helix	trans	-56.2	-54.4	169	158.8	0	0	0	0	111.5	D175 K179 G201 L202 L207 L208 R209	D175-S205 PolarHBondContact O-OG 3.43Å; K179-S205 WeakPolarHBondContact CB-OG 3.4Å; G201-S205 PolarHBondContact O-N 3.36Å; L202-S205 WeakPolarHBondContact O-CB 3.41Å; L202-S205 PolarHBondContact O-N 2.99Å; L202-S205 VanDerWaalsContact O-N 3.16Å; S205-L207 VanDerWaalsContact C-N 3.3Å; S205-L207 PolarHBondContact O-N 3.31Å; S205-L208 PolarHBondContact O-N 2.93Å; S205-L208 VanDerWaalsContact O-N 3.16Å; S205-R209 PolarHBondContact O-N 3.33Å; S205-R209 VanDerWaalsContact O-N 3.12Å
206	D	86.9	Confident	84.2	Confident	100 Å²	100	45.6 Å²	45.6	54%	0.535	25%	0.252	S	S	.	.	H	α-helix	trans	-64.8	-33.2	-178.1	-75.3	-29.2	0	0	0	112.6	L202 R209	L202-D206 PolarHBondContact O-N 3.23Å; D206-R209 WeakPolarHBondContact O-CB 3.4Å; D206-R209 PolarHBondContact O-N 2.96Å
207	L	89.4	Confident	83.4	Confident	45 Å²	45	48 Å²	48	24%	0.236	27%	0.267	C	S	.	.	H	α-helix	trans	-68.2	-36.5	174.4	-177.9	64.7	0	0	0	112.6	V23 K24 V27 L203 I204 S205 R209 P211	V23-L207 HydrophobicContact CG1-CD2 3.88Å; K24-L207 HydrophobicContact CB-CD2 4.45Å; K24-L207 HydrophobicContact CG-CD2 3.68Å; V27-L207 HydrophobicContact CB-CD1 4.21Å; V27-L207 HydrophobicContact CB-CG 4.26Å; V27-L207 HydrophobicContact CG1-CD1 3.84Å; V27-L207 HydrophobicContact CG1-CG 4.18Å; V27-L207 HydrophobicContact CG2-CD2 4.49Å; V27-L207 HydrophobicContact CG2-CG 4.13Å; L203-L207 WeakPolarHBondContact O-CB 3.43Å; L203-L207 PolarHBondContact O-N 3.46Å; I204-L207 PolarHBondContact O-N 3.2Å; S205-L207 VanDerWaalsContact C-N 3.3Å; S205-L207 PolarHBondContact O-N 3.31Å; L207-R209 VanDerWaalsContact C-N 3.35Å; L207-P211 VanDerWaalsContact O-CD 3.27Å; L207-P211 WeakPolarHBondContact O-CD 3.46Å
208	L	89.7	Confident	82.4	Confident	1 Å²	1	50.8 Å²	50.8	1%	0.005	28%	0.28	C	S	.	.	H	α-helix	trans	-78.3	-16.8	178.3	-71.3	171.6	0	0	0	113.7	V27 L50 V54 L174 V178 I204 S205 G210 P211 C212	V27-L208 HydrophobicContact CG2-CD2 4.29Å; L50-L208 HydrophobicContact CD1-CD2 4.2Å; V54-L208 HydrophobicContact CG1-CD1 4.32Å; V54-L208 HydrophobicContact CG2-CD1 4.05Å; V54-L208 HydrophobicContact CG2-CD2 3.76Å; L174-L208 HydrophobicContact CD2-CD1 4.19Å; L174-L208 HydrophobicContact CD2-CD2 4.4Å; L174-L208 HydrophobicContact CG-CD1 4.32Å; V178-L208 HydrophobicContact CG2-CD1 3.91Å; I204-L208 HydrophobicContact CG2-CD1 3.9Å; I204-L208 HydrophobicContact CG2-CG 4.41Å; I204-L208 WeakPolarHBondContact O-CB 3.35Å; I204-L208 VanDerWaalsContact O-CG 3.27Å; I204-L208 WeakPolarHBondContact O-CG 3.43Å; I204-L208 PolarHBondContact O-N 3.45Å; S205-L208 PolarHBondContact O-N 2.93Å; S205-L208 VanDerWaalsContact O-N 3.16Å; L208-G210 PolarHBondContact O-N 3.1Å; L208-P211 VanDerWaalsContact O-CD 3.29Å; L208-P211 WeakPolarHBondContact O-CD 3.31Å; L208-C212 PolarHBondContact O-N 3.12Å; L208-C212 VanDerWaalsContact O-N 3.08Å; L208-C212 PolarHBondContact O-SG 3.34Å
209	R	87.6	Confident	81.3	Confident	156 Å²	156	48.3 Å²	48.3	59%	0.589	26%	0.262	S	S	*	.	H	α-helix	trans	-56.9	-35	173.4	-169.8	174	-178.9	-171.7	-0.1	112.7	D175 S205 D206 L207 C212 T213	D175-R209 HydrophobicContact CB-CB 4.15Å; S205-R209 PolarHBondContact O-N 3.33Å; S205-R209 VanDerWaalsContact O-N 3.12Å; D206-R209 WeakPolarHBondContact O-CB 3.4Å; D206-R209 PolarHBondContact O-N 2.96Å; L207-R209 VanDerWaalsContact C-N 3.35Å; R209-C212 PolarHBondContact O-N 3.18Å; R209-T213 PolarHBondContact O-N 2.94Å
210	G	86.9	Confident	79.6	Confident	23 Å²	23	49.8 Å²	49.8	24%	0.237	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-62.7	173.3	0	0	0	0	0	112.2	M31 L208 C212 T213	M31-G210 VanDerWaalsContact CE-CA 3.47Å; M31-G210 WeakPolarHBondContact CE-O 3.33Å; L208-G210 PolarHBondContact O-N 3.1Å; G210-C212 PolarHBondContact O-N 3.08Å; G210-C212 VanDerWaalsContact O-N 3.08Å; G210-T213 PolarHBondContact O-N 3.27Å; G210-T213 PolarHBondContact O-OG1 3.13Å
211	P	88.2	Confident	77.6	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-47.9	-31.6	172.5	-32	35.1	0	0	0	115.4	V27 L30 L50 L207 L208 T213 Y216	V27-P211 HydrophobicContact CB-CG 4.41Å; V27-P211 HydrophobicContact CG1-CG 3.84Å; V27-P211 HydrophobicContact CG2-CG 3.89Å; L30-P211 HydrophobicContact CD2-CB 4.09Å; L30-P211 HydrophobicContact CD2-CG 4.32Å; L50-P211 HydrophobicContact CD2-CB 4.03Å; L50-P211 HydrophobicContact CD2-CG 4Å; L207-P211 VanDerWaalsContact O-CD 3.27Å; L207-P211 WeakPolarHBondContact O-CD 3.46Å; L208-P211 VanDerWaalsContact O-CD 3.29Å; L208-P211 WeakPolarHBondContact O-CD 3.31Å; P211-T213 VanDerWaalsContact C-N 3.34Å; P211-T213 PolarHBondContact O-N 3.42Å; P211-Y216 PolarHBondContact O-OH 3.48Å
212	C	87.3	Confident	75.4	Confident	7 Å²	7	56 Å²	56	5%	0.047	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-10	175.1	-64.7	0	0	0	0	115	K172 L208 R209 G210	K172-C212 WeakPolarHBondContact CB-O 3.41Å; K172-C212 VanDerWaalsContact CD-O 3.26Å; K172-C212 WeakPolarHBondContact CD-O 3.29Å; K172-C212 WeakPolarHBondContact CG-O 3.48Å; L208-C212 PolarHBondContact O-N 3.12Å; L208-C212 VanDerWaalsContact O-N 3.08Å; L208-C212 PolarHBondContact O-SG 3.34Å; R209-C212 PolarHBondContact O-N 3.18Å; G210-C212 PolarHBondContact O-N 3.08Å; G210-C212 VanDerWaalsContact O-N 3.08Å
213	T	85.4	Confident	73.2	Confident	100 Å²	100	55 Å²	55	61%	0.613	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.8	-28.4	174.4	56.2	0	0	0	0	113.9	K172 R209 G210 P211	K172-T213 PolarHBondContact NZ-O 2.94Å; R209-T213 PolarHBondContact O-N 2.94Å; G210-T213 PolarHBondContact O-N 3.27Å; G210-T213 PolarHBondContact O-OG1 3.13Å; P211-T213 VanDerWaalsContact C-N 3.34Å; P211-T213 PolarHBondContact O-N 3.42Å
214	I	83.5	Confident	71	Confident	16 Å²	16	52.6 Å²	52.6	8%	0.082	28%	0.281	C	S	.	.	S	Bend	trans	-55.2	145.7	-174.2	-59.8	170.8	0	0	0	110.5	L30 M31 T34 V40 K172 Y216	L30-I214 HydrophobicContact CD2-CD1 3.96Å; L30-I214 HydrophobicContact CG-CD1 4.03Å; M31-I214 HydrophobicContact CE-CD1 4Å; M31-I214 HydrophobicContact CE-CG1 4.27Å; M31-I214 HydrophobicContact SD-CD1 4.44Å; T34-I214 HydrophobicContact CG2-CB 4.46Å; T34-I214 HydrophobicContact CG2-CD1 3.43Å; T34-I214 VanDerWaalsContact CG2-CD1 3.43Å; T34-I214 HydrophobicContact CG2-CG1 3.72Å; T34-I214 HydrophobicContact CG2-CG2 3.89Å; V40-I214 HydrophobicContact CB-CG2 4.42Å; K172-I214 WeakPolarHBondContact CE-O 3.28Å; K172-I214 PolarHBondContact NZ-O 3.37Å; I214-Y216 HydrophobicContact CB-CD2 4.38Å; I214-Y216 HydrophobicContact CB-CE1 4.25Å; I214-Y216 HydrophobicContact CB-CE2 3.66Å; I214-Y216 HydrophobicContact CG2-CD1 4.1Å; I214-Y216 HydrophobicContact CG2-CD2 4.21Å; I214-Y216 HydrophobicContact CG2-CE1 3.71Å; I214-Y216 HydrophobicContact CG2-CE2 3.84Å; I214-Y216 HydrophobicContact CG2-CG 4.36Å; I214-Y216 WeakPolarHBondContact O-CD2 3.43Å; I214-Y216 WeakPolarHBondContact O-CE2 3.38Å
215	D	77.8	Confident	68.6	Low	78 Å²	78	59 Å²	59	42%	0.417	32%	0.315	S	S	.	.			trans	-95.4	137.7	166	-138.6	-69.4	0	0	0	111.8	K172 S217	K172-D215 IonicContact NZ-OD2 2.67Å; K172-D215 PolarHBondContact NZ-OD2 3.06Å; D215-S217 VanDerWaalsContact OD1-CB 3.28Å; D215-S217 WeakPolarHBondContact OD1-CB 3.48Å; D215-S217 PolarHBondContact OD1-N 3.13Å; D215-S217 PolarHBondContact OD1-OG 3.46Å
216	Y	78.7	Confident	65.9	Low	5 Å²	5	66 Å²	66	2%	0.02	35%	0.345	C	S	.	.			trans	-124.1	3.2	-174.2	-57.2	-87.9	0	0	0	111.5	V40 E42 I47 I169 Y170 P211 I214 H218	V40-Y216 HydrophobicContact CB-CD1 4.29Å; V40-Y216 HydrophobicContact CB-CE1 4.27Å; V40-Y216 HydrophobicContact CG1-CE1 4.39Å; E42-Y216 WeakPolarHBondContact CG-O 3.48Å; I47-Y216 HydrophobicContact CD1-CD1 3.67Å; I47-Y216 HydrophobicContact CD1-CE1 3.57Å; I47-Y216 HydrophobicContact CG1-CE1 4.11Å; I169-Y216 HydrophobicContact CG2-CE2 3.61Å; I169-Y216 VanDerWaalsContact CG2-OH 3.3Å; I169-Y216 WeakPolarHBondContact CG2-OH 3.41Å; Y170-Y216 HydrophobicContact CD1-CD1 4.13Å; Y170-Y216 AromaticContact CD1-CD2 3.55Å; Y170-Y216 HydrophobicContact CD1-CD2 3.55Å; Y170-Y216 HydrophobicContact CD1-CE2 4.14Å; Y170-Y216 AromaticContact CD1-CG 3.51Å; Y170-Y216 HydrophobicContact CD1-CG 3.51Å; Y170-Y216 AromaticContact CE1-CD1 3.72Å; Y170-Y216 HydrophobicContact CE1-CD1 3.72Å; Y170-Y216 HydrophobicContact CE1-CD2 4.03Å; Y170-Y216 HydrophobicContact CE1-CE1 4.27Å; Y170-Y216 AromaticContact CE1-CG 3.56Å; Y170-Y216 HydrophobicContact CE1-CG 3.56Å; P211-Y216 PolarHBondContact O-OH 3.48Å; I214-Y216 HydrophobicContact CB-CD2 4.38Å; I214-Y216 HydrophobicContact CB-CE1 4.25Å; I214-Y216 HydrophobicContact CB-CE2 3.66Å; I214-Y216 HydrophobicContact CG2-CD1 4.1Å; I214-Y216 HydrophobicContact CG2-CD2 4.21Å; I214-Y216 HydrophobicContact CG2-CE1 3.71Å; I214-Y216 HydrophobicContact CG2-CE2 3.84Å; I214-Y216 HydrophobicContact CG2-CG 4.36Å; I214-Y216 WeakPolarHBondContact O-CD2 3.43Å; I214-Y216 WeakPolarHBondContact O-CE2 3.38Å; Y216-H218 PolarHBondContact O-N 2.97Å
217	S	67	Low	63.3	Low	61 Å²	61	63 Å²	63	43%	0.427	33%	0.331	S	S	.	.			trans	-73.8	25.4	-172.4	59.1	0	0	0	0	115.3	N139 D215	N139-S217 PolarHBondContact ND2-O 3.38Å; D215-S217 VanDerWaalsContact OD1-CB 3.28Å; D215-S217 WeakPolarHBondContact OD1-CB 3.48Å; D215-S217 PolarHBondContact OD1-N 3.13Å; D215-S217 PolarHBondContact OD1-OG 3.46Å
218	H	59.3	Low	60.6	Low	86 Å²	86	67 Å²	67	40%	0.398	35%	0.352	S	S	.	.			trans	-105.1	126.1	177.5	-63.4	-84.2	0	0	0	112.3	Y39 H41 N139 Y216	Y39-H218 HydrophobicContact CD2-CB 3.9Å; Y39-H218 HydrophobicContact CE2-CB 4.2Å; H41-H218 PolarHBondContact CD2-O 2.93Å; H41-H218 VanDerWaalsContact CD2-O 3.31Å; H41-H218 PolarHBondContact NE2-O 2.78Å; N139-H218 PolarHBondContact ND2-N 3.38Å; Y216-H218 PolarHBondContact O-N 2.97Å
219	T	51.3	Low	57.8	Low	59 Å²	59	67.6 Å²	67.6	36%	0.362	36%	0.356	S	S	.	.			trans	-68.9	160.2	177.4	37.4	0	0	0	0	112.7	H41 N139 T141 T221	H41-T219 WeakPolarHBondContact NE2-CA 3.38Å; H41-T219 PolarHBondContact NE2-O 3.25Å; N139-T219 HydrophobicContact CB-CG2 3.66Å; N139-T219 VanDerWaalsContact CG-CG2 3.44Å; N139-T219 PolarHBondContact ND2-N 3.12Å; N139-T219 WeakPolarHBondContact OD1-CG2 3.3Å; T141-T219 HydrophobicContact CG2-CG2 4.26Å; T219-T221 PolarHBondContact O-N 2.94Å
220	R	44.1	Very low	55.3	Low	121 Å²	121	64.2 Å²	64.2	46%	0.457	35%	0.354	S	S	.	.			trans	-80.6	108.2	164.5	-158.1	173.6	174.2	167.4	-2.7	107.6	H41 D43 H224	H41-R220 WeakPolarHBondContact CE1-CB 3.32Å; H41-R220 WeakPolarHBondContact NE2-CA 3.33Å; H41-R220 WeakPolarHBondContact NE2-CB 3.47Å; H41-R220 PolarHBondContact NE2-N 2.82Å; D43-R220 IonicContact OD2-NH1 2.83Å; D43-R220 PolarHBondContact OD2-NH1 3.38Å; R220-H224 HydrophobicContact CG-CB 4.2Å; R220-H224 WeakPolarHBondContact CG-CD2 3.26Å
221	T	39.9	Very low	52.8	Low	58 Å²	58	67.7 Å²	67.7	36%	0.356	37%	0.371	S	S	.	.			trans	-67.7	154.4	169.9	69.9	0	0	0	0	109.6	T219 D223 H224	T219-T221 PolarHBondContact O-N 2.94Å; T221-D223 WeakPolarHBondContact CB-OD2 3.46Å; T221-D223 PolarHBondContact O-N 2.63Å; T221-D223 PolarHBondContact OG1-OD2 3.42Å; T221-H224 PolarHBondContact O-CD2 3.35Å; T221-H224 VanDerWaalsContact O-CD2 3.32Å
222	P	35.6	Very low	50.2	Low	114 Å²	114	70.2 Å²	70.2	74%	0.74	39%	0.388	S	S	*	.	G	3₁₀ helix	trans	-65.7	-17.5	-178.5	26.5	-34.4	0	0	0	113.5	H224	P222-H224 PolarHBondContact O-N 2.59Å
223	D	38.3	Very low	48	Very low	44 Å²	44	73.1 Å²	73.1	24%	0.235	40%	0.401	C	S	.	.	G	3₁₀ helix	trans	-61.5	-18.2	-176.8	-38.8	-66.4	0	0	0	113.4	T221 L225 F226 I1354 Y1358	T221-D223 WeakPolarHBondContact CB-OD2 3.46Å; T221-D223 PolarHBondContact O-N 2.63Å; T221-D223 PolarHBondContact OG1-OD2 3.42Å; D223-L225 PolarHBondContact O-N 3.39Å; D223-F226 PolarHBondContact O-N 2.94Å; D223-I1354 WeakPolarHBondContact OD2-CD1 3.47Å; D223-Y1358 HydrophobicContact CB-CE2 3.66Å; D223-Y1358 WeakPolarHBondContact CB-OH 3.4Å; D223-Y1358 PolarHBondContact O-OH 3.37Å; D223-Y1358 VanDerWaalsContact O-OH 3.1Å
224	H	39.5	Very low	45.8	Very low	23 Å²	23	71 Å²	71	11%	0.106	39%	0.385	C	S	.	.	G	3₁₀ helix	trans	-58.3	4.5	-179.1	-86.3	-78.1	0	0	0	115.9	R220 T221 P222 F226 T227 Y1357 Y1358	R220-H224 HydrophobicContact CG-CB 4.2Å; R220-H224 WeakPolarHBondContact CG-CD2 3.26Å; T221-H224 PolarHBondContact O-CD2 3.35Å; T221-H224 VanDerWaalsContact O-CD2 3.32Å; P222-H224 PolarHBondContact O-N 2.59Å; H224-F226 PolarHBondContact O-N 3.45Å; H224-T227 WeakPolarHBondContact CA-OG1 3.49Å; H224-T227 WeakPolarHBondContact CB-OG1 3.37Å; H224-T227 PolarHBondContact ND1-OG1 3.07Å; H224-T227 PolarHBondContact O-N 3.35Å; H224-T227 PolarHBondContact O-OG1 2.97Å; H224-Y1357 AromaticContact CE1-CZ 3.74Å; H224-Y1357 PolarHBondContact CE1-OH 2.95Å; H224-Y1357 VanDerWaalsContact CE1-OH 3.29Å; H224-Y1358 PolarHBondContact N-OH 3.32Å
225	L	35.7	Very low	43.8	Very low	136 Å²	136	71.6 Å²	71.6	71%	0.712	39%	0.389	S	S	*	.	G	3₁₀ helix	trans	-59.7	-26.8	155.6	-85.2	95.4	0	0	0	112.8	D223	D223-L225 PolarHBondContact O-N 3.39Å
226	F	32	Very low	42.1	Very low	154 Å²	154	74.6 Å²	74.6	68%	0.675	40%	0.4	S	S	*	.	G	3₁₀ helix	trans	-101.7	11.8	176.7	-71.5	-78	0	0	0	113.8	D223 H224 D228 Y1358	D223-F226 PolarHBondContact O-N 2.94Å; H224-F226 PolarHBondContact O-N 3.45Å; F226-D228 PolarHBondContact O-N 3.36Å; F226-Y1358 HydrophobicContact CB-CD1 4.16Å; F226-Y1358 HydrophobicContact CB-CE1 3.79Å; F226-Y1358 WeakPolarHBondContact O-CD1 3.48Å; F226-Y1358 WeakPolarHBondContact O-CE1 3.47Å
227	T	32.3	Very low	40.2	Very low	37 Å²	37	79.2 Å²	79.2	23%	0.227	42%	0.418	C	S	.	.	S	Bend	trans	-51	119.4	163.5	-42.4	0	0	0	0	107.3	H224 P229	H224-T227 WeakPolarHBondContact CA-OG1 3.49Å; H224-T227 WeakPolarHBondContact CB-OG1 3.37Å; H224-T227 PolarHBondContact ND1-OG1 3.07Å; H224-T227 PolarHBondContact O-N 3.35Å; H224-T227 PolarHBondContact O-OG1 2.97Å; T227-P229 WeakPolarHBondContact O-CD 3.12Å
228	D	33	Very low	38.7	Very low	129 Å²	129	85.4 Å²	85.4	69%	0.69	43%	0.432	S	S	*	.			trans	-52.4	110	-171.7	-145.4	9.7	0	0	0	108.7	F226 L234	F226-D228 PolarHBondContact O-N 3.36Å; D228-L234 WeakPolarHBondContact OD1-CD1 3.42Å
229	P	31.5	Very low	37.6	Very low	13 Å²	13	82.6 Å²	82.6	8%	0.084	43%	0.426	C	S	.	.			trans	-59	142.5	-170	-23.7	29.5	0	0	0	110	T227 V231 E233 L234	T227-P229 WeakPolarHBondContact O-CD 3.12Å; P229-V231 PolarHBondContact O-N 3Å; P229-E233 HydrophobicContact CB-CB 3.65Å; P229-E233 HydrophobicContact CB-CG 3.77Å; P229-L234 HydrophobicContact CB-CG 4.09Å; P229-L234 HydrophobicContact CG-CD2 4.23Å; P229-L234 HydrophobicContact CG-CG 4.15Å; P229-L234 WeakPolarHBondContact O-CD1 3.31Å; P229-L234 WeakPolarHBondContact O-CG 3.44Å
230	P	33.2	Very low	36.9	Very low	85 Å²	85	85 Å²	85	55%	0.552	44%	0.435	S	S	*	.			trans	-51.9	139	176	25.1	-34.3	0	0	0	108	S232 E233	P230-S232 CarbonylContact O-C 3.24Å; P230-S232 PolarHBondContact O-N 3.49Å; P230-S232 PolarHBondContact O-OG 3.46Å; P230-E233 PolarHBondContact O-N 2.97Å
231	V	35.5	Very low	36.4	Very low	96 Å²	96	88.1 Å²	88.1	58%	0.582	45%	0.449	S	S	*	.	H	α-helix	trans	-47.2	-32.5	-159.7	174.6	0	0	0	0	114.3	P229 E233 L234 I235	P229-V231 PolarHBondContact O-N 3Å; V231-E233 VanDerWaalsContact C-N 3.31Å; V231-E233 PolarHBondContact O-N 2.94Å; V231-L234 PolarHBondContact O-N 3.32Å; V231-I235 HydrophobicContact CG1-CD1 3.77Å; V231-I235 HydrophobicContact CG1-CG1 4.3Å; V231-I235 VanDerWaalsContact O-CB 3.27Å; V231-I235 WeakPolarHBondContact O-CB 3.38Å; V231-I235 WeakPolarHBondContact O-CD1 3.34Å; V231-I235 WeakPolarHBondContact O-CG1 3.34Å; V231-I235 PolarHBondContact O-N 3.49Å
232	S	34.1	Very low	35.9	Very low	53 Å²	53	88.6 Å²	88.6	37%	0.371	45%	0.454	S	S	.	.	H	α-helix	trans	-45.4	-44.3	167.1	42.2	0	0	0	0	115.9	P230 I235 Q236	P230-S232 CarbonylContact O-C 3.24Å; P230-S232 PolarHBondContact O-N 3.49Å; P230-S232 PolarHBondContact O-OG 3.46Å; S232-I235 WeakPolarHBondContact O-CB 3.37Å; S232-Q236 PolarHBondContact O-N 3.44Å
233	E	39.7	Very low	35.6	Very low	67 Å²	67	85.1 Å²	85.1	31%	0.313	44%	0.44	S	S	.	.	H	α-helix	trans	-91.4	-30.3	-174.8	-175	-175.2	168.5	0	0	111.7	P229 P230 V231 I235 Q236 R237	P229-E233 HydrophobicContact CB-CB 3.65Å; P229-E233 HydrophobicContact CB-CG 3.77Å; P230-E233 PolarHBondContact O-N 2.97Å; V231-E233 VanDerWaalsContact C-N 3.31Å; V231-E233 PolarHBondContact O-N 2.94Å; E233-I235 VanDerWaalsContact C-N 3.27Å; E233-I235 PolarHBondContact O-N 2.98Å; E233-Q236 PolarHBondContact O-N 2.91Å; E233-R237 HydrophobicContact CG-CG 4.39Å; E233-R237 WeakPolarHBondContact O-CB 3.29Å; E233-R237 WeakPolarHBondContact O-CG 3.23Å; E233-R237 PolarHBondContact O-N 3.16Å; E233-R237 IonicContact OE1-CZ 3.06Å; E233-R237 VanDerWaalsContact OE1-CZ 3.26Å; E233-R237 IonicContact OE1-NE 3.9Å; E233-R237 PolarHBondContact OE1-NE 3.12Å; E233-R237 IonicContact OE1-NH2 3.68Å; E233-R237 PolarHBondContact OE1-NH2 2.87Å
234	L	39.6	Very low	35.2	Very low	55 Å²	55	89.2 Å²	89.2	29%	0.288	46%	0.461	S	S	.	.	H	α-helix	trans	-60.1	-42.3	167	-89.6	172	0	0	0	111.1	D228 P229 V231 R237 R238	D228-L234 WeakPolarHBondContact OD1-CD1 3.42Å; P229-L234 HydrophobicContact CB-CG 4.09Å; P229-L234 HydrophobicContact CG-CD2 4.23Å; P229-L234 HydrophobicContact CG-CG 4.15Å; P229-L234 WeakPolarHBondContact O-CD1 3.31Å; P229-L234 WeakPolarHBondContact O-CG 3.44Å; V231-L234 PolarHBondContact O-N 3.32Å; L234-R237 PolarHBondContact O-N 3.32Å; L234-R238 PolarHBondContact O-N 3.16Å
235	I	42.4	Very low	34.6	Very low	29 Å²	29	96.8 Å²	96.8	15%	0.149	50%	0.498	C	S	.	.	H	α-helix	trans	-55.9	-52.2	170.6	-77.9	172	0	0	0	110.3	V231 S232 E233 R237 R238 G239 Q423 L425	V231-I235 HydrophobicContact CG1-CD1 3.77Å; V231-I235 HydrophobicContact CG1-CG1 4.3Å; V231-I235 VanDerWaalsContact O-CB 3.27Å; V231-I235 WeakPolarHBondContact O-CB 3.38Å; V231-I235 WeakPolarHBondContact O-CD1 3.34Å; V231-I235 WeakPolarHBondContact O-CG1 3.34Å; V231-I235 PolarHBondContact O-N 3.49Å; S232-I235 WeakPolarHBondContact O-CB 3.37Å; E233-I235 VanDerWaalsContact C-N 3.27Å; E233-I235 PolarHBondContact O-N 2.98Å; I235-R237 PolarHBondContact O-N 3.01Å; I235-R238 PolarHBondContact O-N 3.31Å; I235-G239 PolarHBondContact O-N 3.28Å; I235-Q423 HydrophobicContact CG2-CB 3.91Å; I235-Q423 HydrophobicContact CG2-CG 4.46Å; I235-Q423 WeakPolarHBondContact CG2-O 3.3Å; I235-L425 HydrophobicContact CD1-CG 4.13Å
236	Q	42.3	Very low	34.2	Very low	141 Å²	141	95.3 Å²	95.3	66%	0.659	50%	0.499	S	S	*	.	H	α-helix	trans	-62.9	-41.1	-179.7	-165.4	173.9	10.6	0	0	112.6	S232 E233 G239 I240	S232-Q236 PolarHBondContact O-N 3.44Å; E233-Q236 PolarHBondContact O-N 2.91Å; Q236-G239 PolarHBondContact O-N 2.75Å; Q236-I240 PolarHBondContact O-N 3.46Å
237	R	37.2	Very low	33.9	Very low	102 Å²	102	98.7 Å²	98.7	39%	0.385	51%	0.508	S	S	.	.	H	α-helix	trans	-70.4	-34.9	177.7	-69.5	-176.7	-170.2	-165.4	6.2	112.3	E233 L234 I235 G239 I240 Y241	E233-R237 HydrophobicContact CG-CG 4.39Å; E233-R237 WeakPolarHBondContact O-CB 3.29Å; E233-R237 WeakPolarHBondContact O-CG 3.23Å; E233-R237 PolarHBondContact O-N 3.16Å; E233-R237 IonicContact OE1-CZ 3.06Å; E233-R237 VanDerWaalsContact OE1-CZ 3.26Å; E233-R237 IonicContact OE1-NE 3.9Å; E233-R237 PolarHBondContact OE1-NE 3.12Å; E233-R237 IonicContact OE1-NH2 3.68Å; E233-R237 PolarHBondContact OE1-NH2 2.87Å; L234-R237 PolarHBondContact O-N 3.32Å; I235-R237 PolarHBondContact O-N 3.01Å; R237-G239 VanDerWaalsContact C-N 3.33Å; R237-I240 WeakPolarHBondContact O-CB 3.49Å; R237-I240 PolarHBondContact O-N 2.92Å; R237-I240 VanDerWaalsContact O-N 3.16Å; R237-Y241 WeakPolarHBondContact O-CD2 3.49Å
238	R	36	Very low	33.6	Very low	191 Å²	191	106.2 Å²	106.2	72%	0.721	54%	0.54	S	S	*	.	H	α-helix	trans	-68.7	-30.6	171.7	-77.7	-168.6	174.7	-160.1	-1.3	112.8	L234 I235 I240 Y241	L234-R238 PolarHBondContact O-N 3.16Å; I235-R238 PolarHBondContact O-N 3.31Å; R238-I240 PolarHBondContact O-N 3.01Å; R238-Y241 PolarHBondContact O-N 2.66Å
239	G	36.2	Very low	33.3	Very low	28 Å²	28	108.3 Å²	108.3	29%	0.289	55%	0.55	S	S	.	*	T	Hydrogen-bonded Turn	trans	-62.4	-19	169.3	0	0	0	0	0	114.7	I235 Q236 R237	I235-G239 PolarHBondContact O-N 3.28Å; Q236-G239 PolarHBondContact O-N 2.75Å; R237-G239 VanDerWaalsContact C-N 3.33Å
240	I	37.7	Very low	33.2	Very low	108 Å²	108	112 Å²	112	55%	0.554	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.1	-27	177.7	-65.1	170.7	0	0	0	111.7	Q236 R237 R238 G243	Q236-I240 PolarHBondContact O-N 3.46Å; R237-I240 WeakPolarHBondContact O-CB 3.49Å; R237-I240 PolarHBondContact O-N 2.92Å; R237-I240 VanDerWaalsContact O-N 3.16Å; R238-I240 PolarHBondContact O-N 3.01Å; I240-G243 PolarHBondContact O-N 2.85Å
241	Y	33	Very low	32.8	Very low	188 Å²	188	117.7 Å²	117.7	74%	0.737	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.3	-7.2	-173.4	-78.1	-78.4	0	0	0	115.8	R237 R238	R237-Y241 WeakPolarHBondContact O-CD2 3.49Å; R238-Y241 PolarHBondContact O-N 2.66Å
242	S	29.9	Very low	32.3	Very low	67 Å²	67	119.1 Å²	119.1	47%	0.469	60%	0.603	S	S	.	*	T	Hydrogen-bonded Turn	trans	-90.7	-9.9	166.8	61.1	0	0	0	0	113.7	L244	S242-L244 PolarHBondContact O-N 3.14Å
243	G	29.2	Very low	31.9	Very low	42 Å²	42	120.9 Å²	120.9	43%	0.433	61%	0.613	S	S	.	*	G	3₁₀ helix	trans	-79.4	-9.5	-176.7	0	0	0	0	0	116.1	I240 M245 S246	I240-G243 PolarHBondContact O-N 2.85Å; G243-M245 PolarHBondContact O-N 3.25Å; G243-S246 PolarHBondContact O-N 3.15Å
244	L	28.7	Very low	31.8	Very low	130 Å²	130	122.8 Å²	122.8	68%	0.681	63%	0.631	S	S	*	*	G	3₁₀ helix	trans	-86.9	6.2	-169.9	-78.1	165.5	0	0	0	115.6	S242	S242-L244 PolarHBondContact O-N 3.14Å
245	M	27	Very low	31.2	Very low	182 Å²	182	127.6 Å²	127.6	90%	0.897	66%	0.655	S	S	*	*	G	3₁₀ helix	trans	-98.8	10.6	167.4	-87.9	-74.3	125.5	0	0	113.7	G243	G243-M245 PolarHBondContact O-N 3.25Å
246	S	27.1	Very low	30.4	Very low	105 Å²	105	130.8 Å²	130.8	73%	0.734	68%	0.681	S	S	*	*	S	Bend	trans	-139.4	42.4	-177.2	-62.8	0	0	0	0	113.8	G243	G243-S246 PolarHBondContact O-N 3.15Å
247	R	26.2	Very low	29.6	Very low	225 Å²	225	132.2 Å²	132.2	85%	0.849	69%	0.687	S	S	*	*			trans	-154.5	50.4	175.8	-123.5	168.3	-155.2	-126.8	1.3	117.7
248	Q	25.9	Very low	29	Very low	194 Å²	194	134.7 Å²	134.7	91%	0.907	70%	0.703	S	S	*	*			trans	-130.3	56.1	167.1	-144.8	87.4	24.8	0	0	113
249	L	26.9	Very low	28.5	Very low	173 Å²	173	132.9 Å²	132.9	91%	0.906	71%	0.707	S	S	*	*	S	Bend	trans	-112.2	145.2	149.3	-76	172.7	0	0	0	107.5
250	A	29.4	Very low	28	Very low	91 Å²	91	136.5 Å²	136.5	75%	0.752	73%	0.728	S	S	*	*			trans	-60.7	149.1	-169.8	0	0	0	0	0	112.7
251	Y	23.9	Very low	27.4	Very low	204 Å²	204	138.1 Å²	138.1	80%	0.8	74%	0.738	S	S	*	*				53.1	117.5	64.4	-129.1	-108	0	0	0	110.4
252	V	27	Very low	27	Very low	126 Å²	126	137.5 Å²	137.5	76%	0.764	74%	0.741	S	S	*	*				-151.4	150	60.8	162.9	0	0	0	0	111.2
253	P	25.3	Very low	26.7	Very low	90 Å²	90	139.8 Å²	139.8	58%	0.584	76%	0.758	S	S	*	*			trans	-103.8	-160.1	174	43.6	-37.9	0	0	0	111.9
254	P	36.4	Very low	26.4	Very low	108 Å²	108	144.4 Å²	144.4	70%	0.701	78%	0.777	S	S	*	*			cis	-126.5	-176.3	-27	28	-6.1	0	0	0	113.3
255	I	26.5	Very low	26.2	Very low	155 Å²	155	147.6 Å²	147.6	80%	0.795	79%	0.789	S	S	*	*				164	133.6	125.6	-85.4	166.8	0	0	0	114
256	S	26.5	Very low	26	Very low	97 Å²	97	147.5 Å²	147.5	68%	0.678	79%	0.786	S	S	*	*			trans	32.4	118.6	155.4	-61	0	0	0	0	125.4
257	Q	25.4	Very low	26	Very low	171 Å²	171	150.4 Å²	150.4	80%	0.799	79%	0.788	S	S	*	*				91.7	130.3	123	-75.4	-171.4	3.4	0	0	124.1
258	Q	25.4	Very low	26	Very low	154 Å²	154	144.4 Å²	144.4	72%	0.72	77%	0.773	S	S	*	*			trans	81.4	120	145.5	-77.2	-172	-4.7	0	0	122.7
259	L	24.5	Very low	26.1	Very low	152 Å²	152	144.6 Å²	144.6	80%	0.796	77%	0.765	S	S	*	*			trans	70.1	148.4	143	-63.4	166.6	0	0	0	117.5
260	S	25.6	Very low	26.2	Very low	105 Å²	105	141.8 Å²	141.8	73%	0.734	76%	0.755	S	S	*	*			cis	-157.8	175.5	-7.3	42.9	0	0	0	0	112.5
261	N	25.1	Very low	26.1	Very low	142 Å²	142	144.2 Å²	144.2	76%	0.759	76%	0.755	S	S	*	*			trans	-49.1	149.9	-177.5	-60.1	-15	0	0	0	117.8
262	Q	25	Very low	26.3	Very low	174 Å²	174	142.6 Å²	142.6	81%	0.813	76%	0.755	S	S	*	*			trans	51.9	119	135.7	-68.6	179.8	-48.4	0	0	121.9
263	S	24.5	Very low	26.3	Very low	116 Å²	116	140.6 Å²	140.6	81%	0.811	75%	0.747	S	S	*	*			trans	60.2	117.5	139.3	56.4	0	0	0	0	120.7
264	T	22.3	Very low	26.5	Very low	138 Å²	138	144.2 Å²	144.2	85%	0.847	76%	0.756	S	S	*	*			trans	-80.7	137.4	156.6	50	0	0	0	0	111.8
265	E	24.4	Very low	25.9	Very low	197 Å²	197	145 Å²	145	92%	0.921	75%	0.753	S	S	*	*			trans	-133.6	167.9	147.8	-111.1	178.6	-166	0	0	109.3
266	Q	23.4	Very low	25.8	Very low	180 Å²	180	145.3 Å²	145.3	84%	0.841	75%	0.749	S	S	*	*			trans	-105.5	-178	-153.2	-59.3	-179.7	-65.6	0	0	115
267	H	27.2	Very low	25.7	Very low	167 Å²	167	147.8 Å²	147.8	77%	0.773	75%	0.748	S	S	*	*			trans	99.7	133.9	177.6	-62.9	-69.6	0	0	0	115.3
268	D	25.9	Very low	25.6	Very low	98 Å²	98	145.7 Å²	145.7	52%	0.524	74%	0.738	S	S	.	*			cis	-156.3	156.6	0.1	-132.2	7.6	0	0	0	113.6
269	R	27.1	Very low	25.5	Very low	199 Å²	199	145 Å²	145	75%	0.751	74%	0.739	S	S	*	*			trans	75.1	137.1	149.2	-73.1	168.1	-142	-168.9	7.6	123.2
270	T	28.4	Very low	25.4	Very low	113 Å²	113	141.8 Å²	141.8	69%	0.693	73%	0.73	S	S	*	*			trans	65.5	133.7	138.7	55.1	0	0	0	0	119.2
271	D	29.1	Very low	25.3	Very low	142 Å²	142	144.5 Å²	144.5	76%	0.759	73%	0.731	S	S	*	*			cis	-153.3	178.4	5.9	-102	-30.4	0	0	0	113.3
272	E	28	Very low	25.3	Very low	170 Å²	170	144.2 Å²	144.2	79%	0.794	73%	0.729	S	S	*	*			trans	5.4	125	158	-67	-169.4	170.4	0	0	119.8
273	S	25.8	Very low	25.2	Very low	84 Å²	84	142.1 Å²	142.1	59%	0.587	72%	0.723	S	S	*	*				95.3	147	61.6	92.7	0	0	0	0	114.5
274	H	30.2	Very low	25.3	Very low	166 Å²	166	144.4 Å²	144.4	77%	0.769	72%	0.718	S	S	*	*			trans	62.5	159.4	171.2	-70	-71.7	0	0	0	118.7
275	L	23.8	Very low	25.6	Very low	125 Å²	125	144.8 Å²	144.8	65%	0.654	72%	0.715	S	S	*	*			cis	-164.9	130.5	-39.5	-163.7	72	0	0	0	111
276	F	24.6	Very low	25.6	Very low	161 Å²	161	138.5 Å²	138.5	71%	0.706	70%	0.703	S	S	*	*			trans	67	142.6	151.7	-85	-142.4	0	0	0	117.9
277	K	23.7	Very low	25.7	Very low	149 Å²	149	137.5 Å²	137.5	65%	0.648	70%	0.704	S	S	*	*				62.4	140.4	68.9	-64.2	178.8	146	-148.7	0	113.2
278	Q	23.6	Very low	25.9	Very low	128 Å²	128	136.2 Å²	136.2	60%	0.598	70%	0.701	S	S	*	*			cis	-165.5	151.4	2.8	-119.7	176.2	-83.6	0	0	111
279	N	22.8	Very low	26	Very low	140 Å²	140	141 Å²	141	75%	0.749	71%	0.712	S	S	*	*			trans	62.3	170.8	157.7	-49.3	-5.5	0	0	0	116.2
280	S	22.8	Very low	25.9	Very low	84 Å²	84	138 Å²	138	59%	0.587	71%	0.71	S	S	*	*			cis	-142.8	167.2	-0.3	57.8	0	0	0	0	112.3
281	E	23.3	Very low	26	Very low	162 Å²	162	139.6 Å²	139.6	76%	0.757	71%	0.713	S	S	*	*			trans	67	152.2	146.9	-74.3	148.3	159.6	0	0	122.1
282	D	25.6	Very low	26.1	Very low	136 Å²	136	141.2 Å²	141.2	73%	0.727	71%	0.713	S	S	*	*			trans	57.5	147.2	150.8	-69.1	8.3	0	0	0	121.9
283	L	22.7	Very low	26.2	Very low	129 Å²	129	141.2 Å²	141.2	68%	0.675	71%	0.714	S	S	*	*			cis	-168.1	170.5	-21.7	-111.7	173.6	0	0	0	106
284	F	25.7	Very low	25.9	Very low	165 Å²	165	145.2 Å²	145.2	72%	0.724	73%	0.725	S	S	*	*			trans	63.3	127.2	153.9	-94.1	-127	0	0	0	121
285	N	28.7	Very low	26.3	Very low	146 Å²	146	141.4 Å²	141.4	78%	0.781	72%	0.715	S	S	*	*			trans	58.2	143.4	146.3	-61.4	-13.3	0	0	0	120.2
286	G	25.8	Very low	26.3	Very low	65 Å²	65	140.9 Å²	140.9	67%	0.67	72%	0.717	S	S	*	*			cis	129.9	139.6	-3.8	0	0	0	0	0	114
287	N	24.8	Very low	26.3	Very low	159 Å²	159	139.8 Å²	139.8	85%	0.85	72%	0.717	S	S	*	*			trans	21.7	113.7	146.1	-68.3	-22.7	0	0	0	119.2
288	I	30.9	Very low	26.3	Very low	140 Å²	140	137.4 Å²	137.4	72%	0.718	72%	0.715	S	S	*	*			trans	-170.4	137.2	138.7	-102.7	146.6	0	0	0	109.4
289	R	29.7	Very low	26.4	Very low	199 Å²	199	138.1 Å²	138.1	75%	0.751	72%	0.723	S	S	*	*			cis	-159.9	159.2	-21.6	-117	173.3	-157.2	141.8	3.9	108.1
290	N	24.3	Very low	26.4	Very low	134 Å²	134	137.6 Å²	137.6	72%	0.717	72%	0.719	S	S	*	*			trans	12.6	143.7	146.3	-44.7	-7	0	0	0	119.9
291	I	30	Very low	26.5	Very low	147 Å²	147	138.9 Å²	138.9	75%	0.754	73%	0.729	S	S	*	*				-171.8	122.3	111.3	-98.2	155.2	0	0	0	111.3
292	K	32	Very low	26.6	Very low	176 Å²	176	135.3 Å²	135.3	77%	0.765	72%	0.721	S	S	*	*			trans	62.9	150.5	163.6	-66.4	168.3	-175.7	-178.8	0	117.2
293	Q	28.7	Very low	26.8	Very low	171 Å²	171	136.3 Å²	136.3	80%	0.799	72%	0.724	S	S	*	*			cis	-150.8	151.4	-11	-127	159.6	-44.4	0	0	111.8
294	M	20.5	Very low	27.3	Very low	167 Å²	167	136.3 Å²	136.3	82%	0.823	72%	0.724	S	S	*	*			trans	-107.2	-175.7	161.3	-121.7	-161.3	159.8	0	0	106.8
295	P	38.6	Very low	27.6	Very low	86 Å²	86	135.4 Å²	135.4	56%	0.558	72%	0.722	S	S	*	*			cis	-133.4	-151.7	-36	32.4	-11.2	0	0	0	110.8
296	T	24.1	Very low	27.8	Very low	114 Å²	114	134.1 Å²	134.1	70%	0.699	72%	0.715	S	S	*	*			trans	70.3	152.8	144	47.6	0	0	0	0	120.5
297	I	24.2	Very low	28.2	Very low	139 Å²	139	137.7 Å²	137.7	71%	0.713	72%	0.719	S	S	*	*			cis	-170.2	167.8	-23.3	-156.5	175.5	0	0	0	110
298	T	24.6	Very low	28.6	Very low	99 Å²	99	137.1 Å²	137.1	61%	0.607	72%	0.716	S	S	*	*			trans	63.3	136.2	158.2	51.3	0	0	0	0	121.6
299	L	24	Very low	28.6	Very low	143 Å²	143	134.9 Å²	134.9	75%	0.749	71%	0.713	S	S	*	*				49.9	149.6	124.5	-54.9	171	0	0	0	119.4
300	N	22.7	Very low	28.7	Very low	128 Å²	128	132 Å²	132	68%	0.684	71%	0.712	S	S	*	*			cis	-176.1	179.4	-20.2	-112.4	15.1	0	0	0	104.3
301	S	25.9	Very low	28.9	Very low	112 Å²	112	131.3 Å²	131.3	78%	0.783	71%	0.709	S	S	*	*			trans	65.2	144.9	158	49.6	0	0	0	0	116.9
302	S	25.4	Very low	28.9	Very low	86 Å²	86	129.9 Å²	129.9	60%	0.601	70%	0.703	S	S	*	*			cis	-170.6	179.5	-9.8	41.3	0	0	0	0	108
303	M	30	Very low	28.6	Very low	157 Å²	157	128.2 Å²	128.2	77%	0.773	70%	0.702	S	S	*	*			trans	69.6	131.1	161	-74.1	125.9	176.4	0	0	115.2
304	D	31.9	Very low	28.7	Very low	129 Å²	129	125 Å²	125	69%	0.69	69%	0.694	S	S	*	*			cis	-155	161.2	2.3	-82.9	-33.6	0	0	0	106.5
305	E	33.5	Very low	28.9	Very low	146 Å²	146	123.7 Å²	123.7	68%	0.682	69%	0.69	S	S	*	*			cis	-162.7	156.6	-0.4	-116.5	178.8	152.1	0	0	107.7
306	N	32.2	Very low	28.4	Very low	119 Å²	119	127.3 Å²	127.3	64%	0.636	70%	0.697	S	S	*	*			trans	50.4	136.8	137.4	-54.5	-6.2	0	0	0	120.9
307	D	33.5	Very low	28.5	Very low	140 Å²	140	128.3 Å²	128.3	75%	0.749	69%	0.694	S	S	*	*			cis	-144.3	-159.8	-4.1	-71.7	-45.6	0	0	0	106.8
308	D	33.8	Very low	28.6	Very low	148 Å²	148	126.6 Å²	126.6	79%	0.791	70%	0.695	S	S	*	*			cis	-157.8	-162.8	6.3	-157.7	-16.1	0	0	0	109.9
309	S	31.4	Very low	28.7	Very low	93 Å²	93	127.9 Å²	127.9	65%	0.65	70%	0.698	S	S	*	*			trans	-130.7	170.6	-172.5	58.6	0	0	0	0	111
310	D	32.2	Very low	29	Very low	137 Å²	137	128.1 Å²	128.1	73%	0.733	69%	0.694	S	S	*	*			cis	-145.1	160	-7.4	-133.4	24.7	0	0	0	107.6
311	N	28.4	Very low	29.3	Very low	121 Å²	121	129.5 Å²	129.5	65%	0.647	70%	0.697	S	S	*	*				56.1	148.4	89.8	-156.3	32.1	0	0	0	118.1
312	D	29.5	Very low	29.2	Very low	117 Å²	117	128.6 Å²	128.6	63%	0.626	69%	0.691	S	S	*	*			trans	55.3	101.8	163.7	-81.9	-54.9	0	0	0	124
313	N	26	Very low	29.6	Very low	141 Å²	141	130 Å²	130	75%	0.754	70%	0.695	S	S	*	*				75.1	162.1	105.6	-149.3	-4.5	0	0	0	122.6
314	V	30.3	Very low	29.4	Very low	103 Å²	103	129 Å²	129	62%	0.624	69%	0.693	S	S	*	*			trans	73.6	93.9	162.1	-169.6	0	0	0	0	120.3
315	N	25.1	Very low	29.4	Very low	140 Å²	140	128.4 Å²	128.4	75%	0.749	70%	0.698	S	S	*	*			trans	58.8	154.2	131	-73.7	-31.5	0	0	0	124
316	K	28.8	Very low	29.1	Very low	161 Å²	161	130 Å²	130	70%	0.7	71%	0.705	S	S	*	*			trans	70.5	149	148.8	-83.7	-179.2	174.8	-73.5	0	117.1
317	E	25.3	Very low	29.3	Very low	136 Å²	136	129.6 Å²	129.6	64%	0.636	71%	0.709	S	S	*	*			cis	-166.4	141.9	-19.9	-149.8	157.7	-138.7	0	0	107.9
318	S	27.2	Very low	29	Very low	103 Å²	103	133.5 Å²	133.5	72%	0.72	71%	0.713	S	S	*	*			trans	64	176.5	158.8	90.8	0	0	0	0	114.6
319	N	26	Very low	28.9	Very low	126 Å²	126	134 Å²	134	67%	0.674	71%	0.713	S	S	*	*			cis	-162.6	163.6	-24.9	-123.6	9.9	0	0	0	108.3
320	H	29.7	Very low	29.1	Very low	147 Å²	147	134.5 Å²	134.5	68%	0.681	71%	0.713	S	S	*	*			trans	64.8	151.1	168.3	-61.5	-75.5	0	0	0	115.1
321	E	29.3	Very low	29.1	Very low	157 Å²	157	134 Å²	134	73%	0.734	71%	0.711	S	S	*	*			cis	-146.2	-179.7	-0.9	-137.7	148.2	-141.1	0	0	113.6
322	S	24.8	Very low	29	Very low	94 Å²	94	134.1 Å²	134.1	66%	0.657	71%	0.712	S	S	*	*			trans	-55	168.7	172.3	53.2	0	0	0	0	113
323	V	33.3	Very low	29.1	Very low	115 Å²	115	135 Å²	135	70%	0.697	72%	0.721	S	S	*	*				-158.8	158.8	65.5	165.8	0	0	0	0	112.1
324	D	26	Very low	29.2	Very low	136 Å²	136	134 Å²	134	73%	0.727	72%	0.721	S	S	*	*			trans	-25.9	156.9	158.1	-57.5	-91.8	0	0	0	116.2
325	C	30.7	Very low	29.3	Very low	117 Å²	117	135.9 Å²	135.9	79%	0.791	73%	0.732	S	S	*	*				-159.5	141.8	56.6	-71.1	0	0	0	0	115.5
326	H	28.6	Very low	29.3	Very low	179 Å²	179	134.8 Å²	134.8	83%	0.829	73%	0.731	S	S	*	*			trans	-71.9	148.2	143.6	-91	-53.3	0	0	0	110.2
327	P	36	Very low	29.4	Very low	111 Å²	111	132.8 Å²	132.8	72%	0.721	73%	0.732	S	S	*	*				-119.5	143	101	-5.5	25.6	0	0	0	112.3
328	R	26.8	Very low	29.7	Very low	222 Å²	222	132.4 Å²	132.4	84%	0.838	74%	0.735	S	S	*	*				68.9	114.1	69.2	-133.5	-179.9	-169.7	173.8	2.9	110.8
329	M	31.7	Very low	29.7	Very low	158 Å²	158	133.8 Å²	133.8	78%	0.778	73%	0.734	S	S	*	*				55.3	150.5	58.3	-63.7	-99.4	90.9	0	0	112
330	P	35.7	Very low	30	Very low	103 Å²	103	135.3 Å²	135.3	67%	0.669	74%	0.742	S	S	*	*			cis	-91.7	-151	14.2	41.1	-35.3	0	0	0	111.8
331	N	31.7	Very low	29.9	Very low	127 Å²	127	135.1 Å²	135.1	68%	0.679	75%	0.746	S	S	*	*			cis	-151.6	159.8	19.1	-151.5	95	0	0	0	115.2
332	D	26.1	Very low	29.7	Very low	124 Å²	124	138.3 Å²	138.3	66%	0.663	75%	0.752	S	S	*	*			trans	-57.6	162	167.5	-41.5	-63.5	0	0	0	112.7
333	T	33.2	Very low	29.7	Very low	134 Å²	134	141.4 Å²	141.4	82%	0.822	76%	0.76	S	S	*	*				-152.8	160.7	50.3	25.3	0	0	0	0	117.5
334	T	26.2	Very low	29.4	Very low	122 Å²	122	141.6 Å²	141.6	75%	0.748	76%	0.761	S	S	*	*			trans	-59.2	147.3	171.2	52.9	0	0	0	0	115.3
335	T	32.2	Very low	29.5	Very low	141 Å²	141	140.6 Å²	140.6	87%	0.865	76%	0.755	S	S	*	*				-169.7	151.9	120	15	0	0	0	0	114.5
336	T	26.1	Very low	29.7	Very low	118 Å²	118	142.4 Å²	142.4	72%	0.724	76%	0.757	S	S	*	*			trans	-67.3	148.9	168.8	49.4	0	0	0	0	112.1
337	T	30.8	Very low	29.7	Very low	118 Å²	118	140.7 Å²	140.7	72%	0.724	74%	0.744	S	S	*	*				177.9	161	77.6	39.3	0	0	0	0	112.6
338	N	31.3	Very low	29.6	Very low	129 Å²	129	143.8 Å²	143.8	69%	0.69	75%	0.752	S	S	*	*			trans	58.8	114.9	146.4	-72.6	-22.5	0	0	0	122.9
339	N	27.2	Very low	30.1	Very low	132 Å²	132	135.7 Å²	135.7	71%	0.706	74%	0.738	S	S	*	*				42.4	119.4	118.7	-51.9	-20.2	0	0	0	120
340	N	31.9	Very low	30.4	Very low	157 Å²	157	136.1 Å²	136.1	84%	0.84	74%	0.743	S	S	*	*				-171	173.9	96	-101.7	-60.1	0	0	0	115
341	N	27.6	Very low	30.1	Very low	144 Å²	144	137.5 Å²	137.5	77%	0.77	75%	0.749	S	S	*	*			trans	-89.2	159.1	-166.1	-79	-76.3	0	0	0	116.3
342	R	26.9	Very low	30.1	Very low	224 Å²	224	136.3 Å²	136.3	85%	0.845	75%	0.751	S	S	*	*			trans	73.6	111.3	150.8	-77.6	173.7	172.2	178.8	-3.2	121.3
343	L	25	Very low	30	Very low	158 Å²	158	136.2 Å²	136.2	83%	0.827	75%	0.751	S	S	*	*				41.9	130.2	119.6	-63.7	166.2	0	0	0	121.1
344	V	26.8	Very low	29.9	Very low	120 Å²	120	134.8 Å²	134.8	73%	0.727	74%	0.742	S	S	*	*				158.8	124.2	115.7	160.4	0	0	0	0	112.5
345	N	27.8	Very low	29.8	Very low	114 Å²	114	131.8 Å²	131.8	61%	0.61	73%	0.726	S	S	*	*			trans	51	143.2	155.6	-59.8	-11	0	0	0	120.4
346	N	34.6	Very low	29.6	Very low	155 Å²	155	129.8 Å²	129.8	83%	0.829	72%	0.718	S	S	*	*				-160	173.7	54.9	-139.4	-12.3	0	0	0	115.3
347	R	28.8	Very low	29.6	Very low	144 Å²	144	132.7 Å²	132.7	54%	0.543	72%	0.723	S	S	.	*			trans	-83.8	157.6	-174.9	-69.2	170.5	151.2	164	-3.9	115.2	T354 S355	R347-T354 PolarHBondContact NE-O 2.89Å; R347-T354 PolarHBondContact NH2-O 3.28Å; R347-S355 VanDerWaalsContact CZ-OG 3.29Å; R347-S355 PolarHBondContact NE-OG 3.09Å; R347-S355 PolarHBondContact NH2-O 3.17Å
348	I	33.4	Very low	29.5	Very low	175 Å²	175	132.3 Å²	132.3	90%	0.897	73%	0.725	S	S	*	*				-173.3	148.5	115	-97.3	159.2	0	0	0	110.6
349	G	36.5	Very low	29.2	Very low	52 Å²	52	133.3 Å²	133.3	54%	0.536	73%	0.731	S	S	.	*			trans	118	158.1	159.7	0	0	0	0	0	116.9
350	N	39.5	Very low	29	Very low	167 Å²	167	138 Å²	138	89%	0.893	74%	0.739	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.4	146.9	155.7	-75.2	-27.2	0	0	0	108.6
351	V	28.8	Very low	28.6	Very low	132 Å²	132	138.5 Å²	138.5	80%	0.8	74%	0.738	S	S	*	*	T	Hydrogen-bonded Turn	cis	-103.6	101.8	11.1	-175.2	0	0	0	0	110.9
352	S	30.9	Very low	28.4	Very low	103 Å²	103	139.8 Å²	139.8	72%	0.72	74%	0.744	S	S	*	*	T	Hydrogen-bonded Turn	trans	44.3	86.8	165.3	59	0	0	0	0	118.2
353	N	24.3	Very low	28.5	Very low	121 Å²	121	137.7 Å²	137.7	65%	0.647	74%	0.741	S	S	*	*			trans	-134.1	111.5	175.1	-126.8	-31.7	0	0	0	115.7
354	T	31.5	Very low	28.6	Very low	105 Å²	105	140.6 Å²	140.6	64%	0.644	74%	0.741	S	S	*	*			trans	54.9	166.7	139.2	53.5	0	0	0	0	123.6	R347	R347-T354 PolarHBondContact NE-O 2.89Å; R347-T354 PolarHBondContact NH2-O 3.28Å
355	S	24.9	Very low	28.7	Very low	59 Å²	59	138.2 Å²	138.2	41%	0.413	74%	0.741	S	S	.	*			trans	74.8	156.7	-176.3	92.4	0	0	0	0	116.5	R347	R347-S355 VanDerWaalsContact CZ-OG 3.29Å; R347-S355 PolarHBondContact NE-OG 3.09Å; R347-S355 PolarHBondContact NH2-O 3.17Å
356	S	26.5	Very low	28.8	Very low	98 Å²	98	138.4 Å²	138.4	69%	0.685	75%	0.751	S	S	*	*			cis	-145.1	-175.1	8.2	-161.3	0	0	0	0	112.4
357	Q	27.2	Very low	28.3	Very low	179 Å²	179	136.4 Å²	136.4	84%	0.836	75%	0.749	S	S	*	*			trans	-96.2	142.8	-168.6	-71.5	171.7	-67.1	0	0	116.6
358	S	27.9	Very low	28.3	Very low	110 Å²	110	135.4 Å²	135.4	77%	0.769	76%	0.761	S	S	*	*			trans	0.2	135.8	151.1	58.4	0	0	0	0	121.7
359	N	25.3	Very low	27.8	Very low	151 Å²	151	131.8 Å²	131.8	81%	0.807	75%	0.752	S	S	*	*			trans	-146.6	171.9	134.2	-147.2	-12.7	0	0	0	112.3
360	W	22.1	Very low	27.2	Very low	230 Å²	230	136.3 Å²	136.3	87%	0.871	76%	0.762	S	S	*	*			trans	-70.3	174.9	-161.3	-76.9	32.1	0	0	0	118.5
361	M	24.7	Very low	26.4	Very low	167 Å²	167	134.7 Å²	134.7	82%	0.823	75%	0.753	S	S	*	*			trans	89.4	88.6	158.9	-68.1	-164.1	167.2	0	0	121.1
362	L	23.6	Very low	26.1	Very low	172 Å²	172	135.5 Å²	135.5	90%	0.901	75%	0.752	S	S	*	*				31.5	97	113.5	-77.1	162.8	0	0	0	119.4
363	K	27.8	Very low	25.7	Very low	179 Å²	179	134.8 Å²	134.8	78%	0.778	75%	0.747	S	S	*	*			trans	-160.6	144.2	139.6	-80.7	-175.9	-171.4	158.7	0	107
364	R	28.4	Very low	26	Very low	220 Å²	220	136.2 Å²	136.2	83%	0.83	76%	0.755	S	S	*	*			cis	-149.6	147	-15.3	-96.4	166.1	-179.5	-178.1	-3.8	104.4
365	G	28.8	Very low	25.7	Very low	70 Å²	70	138.5 Å²	138.5	72%	0.722	76%	0.76	S	S	*	*				92.6	134	79.2	0	0	0	0	0	109.6
366	S	29.1	Very low	25.9	Very low	118 Å²	118	141.2 Å²	141.2	83%	0.825	78%	0.776	S	S	*	*			cis	-148.5	130.8	23.5	-59.6	0	0	0	0	113
367	S	24.2	Very low	25.8	Very low	112 Å²	112	141 Å²	141	78%	0.783	77%	0.771	S	S	*	*			trans	-72.7	158.2	136	-47.7	0	0	0	0	108
368	P	28.9	Very low	25.8	Very low	123 Å²	123	138.6 Å²	138.6	80%	0.799	76%	0.764	S	S	*	*				-138.7	150.1	96.6	38	-27	0	0	0	114
369	S	22.7	Very low	25.8	Very low	100 Å²	100	143.3 Å²	143.3	70%	0.699	77%	0.765	S	S	*	*			trans	-67.5	160.4	155.6	45.7	0	0	0	0	110.6
370	I	24	Very low	25.7	Very low	147 Å²	147	141.5 Å²	141.5	75%	0.754	76%	0.759	S	S	*	*				178.5	130.8	119.6	-95.7	164.2	0	0	0	112.5
371	N	23.4	Very low	25.7	Very low	132 Å²	132	138.9 Å²	138.9	71%	0.706	76%	0.759	S	S	*	*			trans	67.6	133.9	152.4	-73.4	2.1	0	0	0	124.5
372	L	22.7	Very low	25.7	Very low	150 Å²	150	142 Å²	142	79%	0.785	76%	0.761	S	S	*	*			trans	57.9	147.1	137.3	-79.9	80.4	0	0	0	120
373	S	22	Very low	25.7	Very low	87 Å²	87	140.4 Å²	140.4	61%	0.608	76%	0.759	S	S	*	*			cis	-163.1	176.1	-16.9	52.1	0	0	0	0	110.8
374	D	30.4	Very low	25.6	Very low	152 Å²	152	135.2 Å²	135.2	81%	0.813	76%	0.756	S	S	*	*			trans	119	117.3	152.3	-61.4	2	0	0	0	115.8
375	M	25.3	Very low	25.3	Very low	153 Å²	153	130.3 Å²	130.3	75%	0.754	76%	0.755	S	S	*	*			trans	-102	161.7	160.7	-62.7	-157.4	81.5	0	0	109.4	T377	M375-T377 HydrophobicContact CB-CG2 3.98Å; M375-T377 HydrophobicContact CE-CG2 4.44Å; M375-T377 HydrophobicContact SD-CG2 4.01Å
376	P	29.2	Very low	24.9	Very low	116 Å²	116	132.7 Å²	132.7	75%	0.753	76%	0.76	S	S	*	*				-124.1	145.1	94.6	0.8	20.5	0	0	0	111.1
377	T	24.1	Very low	24.6	Very low	92 Å²	92	131 Å²	131	56%	0.564	75%	0.753	S	S	*	*			cis	73	142.1	42.3	74.4	0	0	0	0	115.9	M375	M375-T377 HydrophobicContact CB-CG2 3.98Å; M375-T377 HydrophobicContact CE-CG2 4.44Å; M375-T377 HydrophobicContact SD-CG2 4.01Å
378	N	27.3	Very low	24.6	Very low	129 Å²	129	136 Å²	136	69%	0.69	76%	0.761	S	S	*	*			trans	83	140.3	-172.4	-54.7	-79	0	0	0	115.3
379	R	27.6	Very low	24.3	Very low	210 Å²	210	135.2 Å²	135.2	79%	0.792	75%	0.75	S	S	*	*			cis	-157.2	135	-5.8	-121.2	175.6	-161.5	-169.2	-0.1	114.2
380	T	23.2	Very low	24.3	Very low	112 Å²	112	136.4 Å²	136.4	69%	0.687	76%	0.755	S	S	*	*			trans	23.7	136.1	137.4	60.2	0	0	0	0	123.4
381	M	22.5	Very low	24.2	Very low	175 Å²	175	135.8 Å²	135.8	86%	0.862	75%	0.749	S	S	*	*			trans	71.5	114.5	137.6	-74.9	-177.3	166	0	0	122.1
382	R	25.2	Very low	24.1	Very low	234 Å²	234	138.1 Å²	138.1	88%	0.883	76%	0.758	S	S	*	*				-173.5	145.4	116.5	-98.5	167.1	-176.7	-155.1	-0.3	107.6
383	T	23	Very low	24.1	Very low	137 Å²	137	135.7 Å²	135.7	84%	0.84	75%	0.745	S	S	*	*			cis	69.2	103.3	29.8	69	0	0	0	0	115.5
384	G	25.1	Very low	24.2	Very low	71 Å²	71	139.3 Å²	139.3	73%	0.732	75%	0.753	S	S	*	*			trans	142.8	115.3	-171	0	0	0	0	0	107.6
385	S	22.3	Very low	23.9	Very low	116 Å²	116	140.8 Å²	140.8	81%	0.811	75%	0.752	S	S	*	*			cis	73.4	129.2	20.3	-152	0	0	0	0	115.6
386	C	21.4	Very low	23.7	Very low	120 Å²	120	140.8 Å²	140.8	81%	0.811	76%	0.755	S	S	*	*			trans	71.1	125.4	173.7	-65	0	0	0	0	119.9
387	A	22.3	Very low	23.4	Very low	84 Å²	84	140 Å²	140	69%	0.694	75%	0.753	S	S	*	*			trans	56.3	110.8	146.2	0	0	0	0	0	120.6
388	F	24.4	Very low	23.5	Very low	217 Å²	217	141.1 Å²	141.1	95%	0.952	76%	0.76	S	S	*	*				-128.3	117.4	112.1	-120.3	-87.5	0	0	0	110.6
389	L	21.6	Very low	23.4	Very low	106 Å²	106	144.5 Å²	144.5	56%	0.555	77%	0.768	S	S	*	*			trans	-82.9	166.5	166.5	-95	151.9	0	0	0	108.8	Q391	L389-Q391 HydrophobicContact CD1-CG 4.03Å; L389-Q391 HydrophobicContact CD2-CG 4.35Å
390	P	23.4	Very low	23.4	Very low	124 Å²	124	142 Å²	142	81%	0.805	77%	0.77	S	S	*	*				-109.1	124.1	109.9	28.1	-33.9	0	0	0	111.4
391	Q	21.7	Very low	23.5	Very low	134 Å²	134	143 Å²	143	63%	0.626	77%	0.771	S	S	*	*			trans	-72.7	125.3	168.9	-105.5	157.5	-37.3	0	0	108.4	L389 N393	L389-Q391 HydrophobicContact CD1-CG 4.03Å; L389-Q391 HydrophobicContact CD2-CG 4.35Å; Q391-N393 HydrophobicContact CG-CB 4.47Å
392	M	22	Very low	23.6	Very low	181 Å²	181	144.8 Å²	144.8	89%	0.892	77%	0.768	S	S	*	*			trans	-116.1	58.8	150	-81.1	-72.1	174.9	0	0	107.7
393	N	22.8	Very low	23.7	Very low	99 Å²	99	141 Å²	141	53%	0.529	77%	0.765	S	S	.	*			trans	-72.5	149.3	155.8	-107.9	36.7	0	0	0	108.2	Q391	Q391-N393 HydrophobicContact CG-CB 4.47Å
394	E	22.9	Very low	24.2	Very low	164 Å²	164	143 Å²	143	77%	0.766	77%	0.77	S	S	*	*			trans	47.5	89.2	150	-63.9	165.1	121.6	0	0	117.3
395	F	24.5	Very low	24.5	Very low	182 Å²	182	148.6 Å²	148.6	80%	0.798	77%	0.774	S	S	*	*			trans	-125.5	80.8	148.5	-100.9	-75.9	0	0	0	111.2
396	N	22.3	Very low	25.2	Very low	153 Å²	153	145.9 Å²	145.9	82%	0.818	76%	0.755	S	S	*	*			trans	-75.6	121.7	150.2	-90.1	-21.2	0	0	0	108.1
397	S	22.9	Very low	25.9	Very low	100 Å²	100	144.4 Å²	144.4	70%	0.699	74%	0.739	S	S	*	*	S	Bend	trans	50	111.9	150.4	-62	0	0	0	0	120.6
398	T	24.9	Very low	26.7	Very low	116 Å²	116	145.5 Å²	145.5	71%	0.712	73%	0.729	S	S	*	*			trans	104.9	119	145.7	73.9	0	0	0	0	119.9
399	K	26	Very low	27.5	Very low	200 Å²	200	139.8 Å²	139.8	87%	0.87	71%	0.708	S	S	*	*			trans	58	123.6	149.4	-61.9	169.3	-177.1	173.7	0	116.6
400	L	26.8	Very low	28.6	Very low	157 Å²	157	139.7 Å²	139.7	82%	0.822	71%	0.707	S	S	*	*			cis	-149.8	142.3	45.2	-128.5	161.1	0	0	0	114
401	N	25.2	Very low	29.5	Very low	134 Å²	134	135.2 Å²	135.2	72%	0.717	68%	0.68	S	S	*	*			trans	-70.7	136.3	-177.7	178.6	1.7	0	0	0	114.1
402	R	25.1	Very low	30.5	Very low	211 Å²	211	133.5 Å²	133.5	80%	0.796	68%	0.675	S	S	*	*				178.5	145.5	129.8	-94.2	151.6	-170.8	144.4	0.1	113.8
403	N	27.8	Very low	31.7	Very low	154 Å²	154	127.6 Å²	127.6	82%	0.824	66%	0.655	S	S	*	*			trans	63.8	67	162.9	-62.8	-14.6	0	0	0	118.7
404	L	32.8	Very low	32.6	Very low	180 Å²	180	123.5 Å²	123.5	94%	0.942	64%	0.635	S	S	*	*			trans	-116.3	141.5	137.3	-93.9	155.4	0	0	0	107.9
405	K	30.7	Very low	33.9	Very low	188 Å²	188	120.6 Å²	120.6	82%	0.817	62%	0.619	S	S	*	*			trans	-101.3	148.2	-175.2	-69.2	178.6	177.7	177.2	0	109.8
406	S	37.5	Very low	35.1	Very low	59 Å²	59	117.2 Å²	117.2	41%	0.413	61%	0.606	S	S	.	*			trans	68.3	126.2	166.1	150.6	0	0	0	0	116.6	K408 D409	S406-K408 PolarHBondContact O-N 3.03Å; S406-K408 WeakPolarHBondContact OG-CB 3.42Å; S406-K408 PolarHBondContact OG-N 3.37Å; S406-D409 WeakPolarHBondContact CB-OD2 3.29Å; S406-D409 PolarHBondContact O-N 3.02Å; S406-D409 PolarHBondContact OG-OD2 2.94Å
407	N	36.4	Very low	36.3	Very low	89 Å²	89	114.6 Å²	114.6	48%	0.476	59%	0.589	S	S	.	*	H	α-helix	trans	-77.1	-9.4	176.3	-61.4	-12.4	0	0	0	112.5	D409 A411 E510	N407-D409 VanDerWaalsContact C-N 3.29Å; N407-D409 PolarHBondContact O-N 3.21Å; N407-A411 PolarHBondContact O-N 3.44Å; N407-E510 PolarHBondContact ND2-OE1 2.94Å; N407-E510 PolarHBondContact ND2-OE2 2.81Å
408	K	38.9	Very low	37.8	Very low	108 Å²	108	110.9 Å²	110.9	47%	0.47	56%	0.562	S	S	.	*	H	α-helix	trans	-65.1	-35.1	172.9	-68.1	-175.6	173.5	-178.8	0	111.5	S406 A411 L412 I478	S406-K408 PolarHBondContact O-N 3.03Å; S406-K408 WeakPolarHBondContact OG-CB 3.42Å; S406-K408 PolarHBondContact OG-N 3.37Å; K408-A411 PolarHBondContact O-N 3.36Å; K408-L412 PolarHBondContact O-N 3.3Å; K408-I478 PolarHBondContact NZ-O 2.9Å
409	D	41.4	Very low	39.1	Very low	96 Å²	96	108.3 Å²	108.3	51%	0.513	54%	0.542	S	S	.	.	H	α-helix	trans	-72.1	-32.1	-175	-57.9	-82.9	0	0	0	111.9	S406 N407 A413	S406-D409 WeakPolarHBondContact CB-OD2 3.29Å; S406-D409 PolarHBondContact O-N 3.02Å; S406-D409 PolarHBondContact OG-OD2 2.94Å; N407-D409 VanDerWaalsContact C-N 3.29Å; N407-D409 PolarHBondContact O-N 3.21Å; D409-A413 VanDerWaalsContact O-CB 3.22Å; D409-A413 WeakPolarHBondContact O-CB 3.49Å; D409-A413 PolarHBondContact O-N 3.4Å
410	I	44.4	Very low	40.5	Very low	104 Å²	104	101.4 Å²	101.4	53%	0.533	52%	0.518	S	S	.	.	H	α-helix	trans	-66.7	-45	172.9	-59.2	174.8	0	0	0	110.4	A414	I410-A414 VanDerWaalsContact O-CB 3.3Å; I410-A414 WeakPolarHBondContact O-CB 3.27Å; I410-A414 PolarHBondContact O-N 2.91Å
411	A	42.3	Very low	41.6	Very low	30 Å²	30	94.8 Å²	94.8	25%	0.248	48%	0.484	C	S	.	.	H	α-helix	trans	-66.1	-41.2	178.5	0	0	0	0	0	112.5	N407 K408 K415	N407-A411 PolarHBondContact O-N 3.44Å; K408-A411 PolarHBondContact O-N 3.36Å; A411-K415 PolarHBondContact O-N 3.47Å
412	L	42.9	Very low	42.8	Very low	98 Å²	98	92.8 Å²	92.8	51%	0.513	47%	0.47	S	S	.	.	H	α-helix	trans	-61.8	-54.8	172.9	-104.7	82.1	0	0	0	111.2	K408 A414 K415 E416	K408-L412 PolarHBondContact O-N 3.3Å; L412-A414 PolarHBondContact O-N 2.89Å; L412-A414 VanDerWaalsContact O-N 3.14Å; L412-K415 PolarHBondContact O-N 3.17Å; L412-K415 VanDerWaalsContact O-N 3.11Å; L412-E416 WeakPolarHBondContact O-CB 3.27Å; L412-E416 WeakPolarHBondContact O-CG 3.39Å; L412-E416 PolarHBondContact O-N 2.87Å
413	A	46.7	Very low	43.8	Very low	57 Å²	57	86 Å²	86	47%	0.471	45%	0.447	S	S	.	.	H	α-helix	trans	-58.6	-31.5	-177	0	0	0	0	0	112.6	D409 H417	D409-A413 VanDerWaalsContact O-CB 3.22Å; D409-A413 WeakPolarHBondContact O-CB 3.49Å; D409-A413 PolarHBondContact O-N 3.4Å; A413-H417 WeakPolarHBondContact O-CB 3.4Å; A413-H417 PolarHBondContact O-N 3.22Å
414	A	43.2	Very low	44.9	Very low	13 Å²	13	80.8 Å²	80.8	11%	0.107	42%	0.422	C	S	.	.	H	α-helix	trans	-81	-34	178.5	0	0	0	0	0	113.3	I410 L412 H417 V418 W513	I410-A414 VanDerWaalsContact O-CB 3.3Å; I410-A414 WeakPolarHBondContact O-CB 3.27Å; I410-A414 PolarHBondContact O-N 2.91Å; L412-A414 PolarHBondContact O-N 2.89Å; L412-A414 VanDerWaalsContact O-N 3.14Å; A414-H417 WeakPolarHBondContact O-CB 3.34Å; A414-H417 PolarHBondContact O-N 3.23Å; A414-V418 PolarHBondContact O-N 3.37Å; A414-V418 VanDerWaalsContact O-N 3.12Å; A414-W513 HydrophobicContact CB-CD2 4.11Å; A414-W513 HydrophobicContact CB-CE3 4.34Å; A414-W513 HydrophobicContact CB-CH2 3.53Å; A414-W513 HydrophobicContact CB-CZ2 3.2Å; A414-W513 HydrophobicContact CB-CZ3 4.08Å
415	K	50	Low	45.7	Very low	103 Å²	103	77.9 Å²	77.9	45%	0.448	41%	0.407	S	S	.	.	H	α-helix	trans	-62.1	-48.4	165.8	-179	-170.5	166	-170.6	0	110.6	A411 L412 H417 V418 E419	A411-K415 PolarHBondContact O-N 3.47Å; L412-K415 PolarHBondContact O-N 3.17Å; L412-K415 VanDerWaalsContact O-N 3.11Å; K415-H417 PolarHBondContact O-N 3.19Å; K415-V418 PolarHBondContact O-N 3.41Å; K415-E419 VanDerWaalsContact CE-CD 3.47Å; K415-E419 WeakPolarHBondContact CE-OE1 3.42Å; K415-E419 IonicContact NZ-OE1 2.7Å; K415-E419 PolarHBondContact NZ-OE1 2.73Å; K415-E419 PolarHBondContact O-N 2.82Å
416	E	48.8	Very low	46.9	Very low	112 Å²	112	78.7 Å²	78.7	52%	0.523	41%	0.405	S	S	.	.	H	α-helix	trans	-61.1	-30.9	175.2	-70.8	176.4	176.6	0	0	111.8	L412 S420	L412-E416 WeakPolarHBondContact O-CB 3.27Å; L412-E416 WeakPolarHBondContact O-CG 3.39Å; L412-E416 PolarHBondContact O-N 2.87Å; E416-S420 WeakPolarHBondContact O-CA 3.49Å; E416-S420 WeakPolarHBondContact O-CB 3.43Å; E416-S420 PolarHBondContact O-N 3.37Å; E416-S420 PolarHBondContact O-OG 2.67Å
417	H	48.4	Very low	48.2	Very low	98 Å²	98	77.2 Å²	77.2	45%	0.454	39%	0.394	S	S	.	.	H	α-helix	trans	-66.5	-38.9	171.6	-167.8	68.6	0	0	0	112.5	A413 A414 K415 S420 M421 K465	A413-H417 WeakPolarHBondContact O-CB 3.4Å; A413-H417 PolarHBondContact O-N 3.22Å; A414-H417 WeakPolarHBondContact O-CB 3.34Å; A414-H417 PolarHBondContact O-N 3.23Å; K415-H417 PolarHBondContact O-N 3.19Å; H417-S420 WeakPolarHBondContact CA-OG 3.25Å; H417-S420 PolarHBondContact O-OG 3.4Å; H417-M421 WeakPolarHBondContact O-CG 3.19Å; H417-M421 PolarHBondContact O-N 3.42Å; H417-K465 PolarHBondContact NE2-NZ 3.47Å
418	V	53	Low	50	Low	21 Å²	21	80.6 Å²	80.6	13%	0.127	40%	0.4	C	S	.	.	H	α-helix	trans	-70.3	-45.3	175	176.6	0	0	0	0	111.1	A414 K415 M421 H422 V472	A414-V418 PolarHBondContact O-N 3.37Å; A414-V418 VanDerWaalsContact O-N 3.12Å; K415-V418 PolarHBondContact O-N 3.41Å; V418-M421 HydrophobicContact CB-CE 4.3Å; V418-M421 HydrophobicContact CG2-CE 4.05Å; V418-M421 PolarHBondContact O-N 3.05Å; V418-H422 PolarHBondContact O-CD2 3.13Å; V418-V472 HydrophobicContact CG2-CG2 4.3Å
419	E	52.5	Low	52.1	Low	63 Å²	63	78.4 Å²	78.4	29%	0.294	39%	0.393	S	S	.	.	H	α-helix	trans	-66.8	-38	177.7	-68.2	-176.8	173.6	0	0	112	K415 M421 H422 Q423	K415-E419 VanDerWaalsContact CE-CD 3.47Å; K415-E419 WeakPolarHBondContact CE-OE1 3.42Å; K415-E419 IonicContact NZ-OE1 2.7Å; K415-E419 PolarHBondContact NZ-OE1 2.73Å; K415-E419 PolarHBondContact O-N 2.82Å; E419-M421 PolarHBondContact O-N 2.93Å; E419-H422 PolarHBondContact O-N 2.99Å; E419-H422 VanDerWaalsContact O-N 3.1Å; E419-Q423 WeakPolarHBondContact O-CG 3.35Å; E419-Q423 PolarHBondContact O-N 3.17Å
420	S	55.1	Low	54	Low	54 Å²	54	75.2 Å²	75.2	38%	0.378	38%	0.376	S	S	.	.	H	α-helix	trans	-70.2	-25.2	176.4	61.8	0	0	0	0	114.3	E416 H417 H422 Q423 S424	E416-S420 WeakPolarHBondContact O-CA 3.49Å; E416-S420 WeakPolarHBondContact O-CB 3.43Å; E416-S420 PolarHBondContact O-N 3.37Å; E416-S420 PolarHBondContact O-OG 2.67Å; H417-S420 WeakPolarHBondContact CA-OG 3.25Å; H417-S420 PolarHBondContact O-OG 3.4Å; S420-H422 PolarHBondContact O-N 2.84Å; S420-Q423 CarbonylContact O-C 3.59Å; S420-Q423 PolarHBondContact O-N 3Å; S420-S424 WeakPolarHBondContact O-CB 3.29Å; S420-S424 PolarHBondContact O-N 3.05Å
421	M	50.5	Low	56	Low	19 Å²	19	71.1 Å²	71.1	9%	0.094	35%	0.354	C	S	.	.	H	α-helix	trans	-62.9	-29.2	168.3	-78.4	-172.5	-66.9	0	0	112.7	H417 V418 E419 I454 K465	H417-M421 WeakPolarHBondContact O-CG 3.19Å; H417-M421 PolarHBondContact O-N 3.42Å; V418-M421 HydrophobicContact CB-CE 4.3Å; V418-M421 HydrophobicContact CG2-CE 4.05Å; V418-M421 PolarHBondContact O-N 3.05Å; E419-M421 PolarHBondContact O-N 2.93Å; M421-I454 HydrophobicContact CB-CD1 4.25Å; M421-I454 HydrophobicContact CG-CD1 3.99Å; M421-I454 HydrophobicContact SD-CD1 3.39Å; M421-I454 WeakPolarHBondContact SD-CD1 3.32Å; M421-K465 HydrophobicContact CE-CD 4.28Å; M421-K465 HydrophobicContact SD-CD 3.37Å; M421-K465 WeakPolarHBondContact SD-CD 3.43Å; M421-K465 PolarHBondContact SD-NZ 3.24Å
422	H	50	Low	58	Low	91 Å²	91	71.4 Å²	71.4	42%	0.421	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-8.4	171.8	-66.1	-73.8	0	0	0	113.3	V418 E419 S420 Y450	V418-H422 PolarHBondContact O-CD2 3.13Å; E419-H422 PolarHBondContact O-N 2.99Å; E419-H422 VanDerWaalsContact O-N 3.1Å; S420-H422 PolarHBondContact O-N 2.84Å; H422-Y450 PolarHBondContact CE1-OH 3.27Å
423	Q	45.8	Very low	59.9	Low	70 Å²	70	70 Å²	70	33%	0.327	35%	0.349	S	S	.	.	S	Bend	trans	-121.5	13.8	-173.1	-66.3	179.6	38.1	0	0	114.4	I235 E419 S420	I235-Q423 HydrophobicContact CG2-CB 3.91Å; I235-Q423 HydrophobicContact CG2-CG 4.46Å; I235-Q423 WeakPolarHBondContact CG2-O 3.3Å; E419-Q423 WeakPolarHBondContact O-CG 3.35Å; E419-Q423 PolarHBondContact O-N 3.17Å; S420-Q423 CarbonylContact O-C 3.59Å; S420-Q423 PolarHBondContact O-N 3Å
424	S	50.9	Low	61.6	Low	43 Å²	43	71.2 Å²	71.2	30%	0.301	35%	0.348	S	S	.	.			trans	-103.4	115.5	-178.1	151.1	0	0	0	0	113	S420 R426 T427	S420-S424 WeakPolarHBondContact O-CB 3.29Å; S420-S424 PolarHBondContact O-N 3.05Å; S424-R426 PolarHBondContact O-N 2.84Å; S424-R426 PolarHBondContact OG-N 3.49Å; S424-T427 WeakPolarHBondContact CB-OG1 3.06Å; S424-T427 PolarHBondContact O-N 2.83Å; S424-T427 VanDerWaalsContact O-O 3.12Å; S424-T427 PolarHBondContact O-OG1 3Å; S424-T427 PolarHBondContact OG-OG1 3.48Å
425	L	49.5	Very low	63.5	Low	119 Å²	119	74.4 Å²	74.4	62%	0.623	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	-18.8	173.7	-95	165.8	0	0	0	115.4	I235	I235-L425 HydrophobicContact CD1-CG 4.13Å
426	R	55.6	Low	65.1	Low	206 Å²	206	69.5 Å²	69.5	78%	0.777	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.2	0.5	-177.9	-68.8	-178.7	174.4	172.6	-1.2	113.4	S424 E457	S424-R426 PolarHBondContact O-N 2.84Å; S424-R426 PolarHBondContact OG-N 3.49Å; R426-E457 PolarHBondContact O-N 2.84Å
427	T	65.6	Low	66.8	Low	28 Å²	28	65.7 Å²	65.7	17%	0.172	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	112	-170.9	58.3	0	0	0	0	111.6	S424 D455 N456	S424-T427 WeakPolarHBondContact CB-OG1 3.06Å; S424-T427 PolarHBondContact O-N 2.83Å; S424-T427 VanDerWaalsContact O-O 3.12Å; S424-T427 PolarHBondContact O-OG1 3Å; S424-T427 PolarHBondContact OG-OG1 3.48Å; T427-D455 CarbonylContact C-O 3.58Å; T427-D455 WeakPolarHBondContact CA-O 3.44Å; T427-N456 HydrophobicContact CG2-CB 4.29Å; T427-N456 VanDerWaalsContact CG2-CG 3.5Å; T427-N456 WeakPolarHBondContact CG2-OD1 3.41Å
428	R	74.2	Confident	68.5	Low	159 Å²	159	61.2 Å²	61.2	60%	0.6	30%	0.304	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.7	119.7	-178.7	177.5	-175.8	-180	-170.3	2.1	110.2	L430 D455	R428-L430 HydrophobicContact CG-CD2 4.36Å; R428-L430 PolarHBondContact O-N 3.3Å; R428-D455 HydrophobicContact CB-CB 4.33Å; R428-D455 PolarHBondContact N-O 3.48Å; R428-D455 PolarHBondContact O-N 3.45Å
429	L	82.6	Confident	69.8	Low	62 Å²	62	63.9 Å²	63.9	33%	0.325	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	127.5	168.7	-170	71.1	0	0	0	109.9	Y431 I454	L429-Y431 VanDerWaalsContact CD1-O 3.23Å; L429-Y431 WeakPolarHBondContact CD1-O 3.42Å; L429-I454 HydrophobicContact CD1-CG1 4.05Å
430	L	81.8	Confident	70.5	Confident	30 Å²	30	61.4 Å²	61.4	16%	0.157	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	-33.2	175.5	-59.8	-178	0	0	0	112	R428 L453 D455 I462 C565	R428-L430 HydrophobicContact CG-CD2 4.36Å; R428-L430 PolarHBondContact O-N 3.3Å; L430-L453 HydrophobicContact CB-CB 4.41Å; L430-L453 HydrophobicContact CB-CD2 4.1Å; L430-L453 HydrophobicContact CB-CG 4.36Å; L430-L453 HydrophobicContact CD1-CD2 4.18Å; L430-L453 HydrophobicContact CD1-CG 4.45Å; L430-L453 PolarHBondContact N-O 3Å; L430-D455 HydrophobicContact CD1-CB 4.18Å; L430-D455 HydrophobicContact CD2-CB 4.3Å; L430-D455 HydrophobicContact CG-CB 4.19Å; L430-I462 HydrophobicContact CD1-CD1 4.06Å; L430-I462 HydrophobicContact CD1-CG1 4.06Å; L430-C565 PolarHBondContact O-SG 3.31Å
431	Y	86.2	Confident	70.9	Confident	18 Å²	18	64.5 Å²	64.5	7%	0.071	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	146.4	177.1	-179.1	-86.5	0	0	0	109.6	L429 K433 L451 S452 L453 H558 T561 F562 C565	L429-Y431 VanDerWaalsContact CD1-O 3.23Å; L429-Y431 WeakPolarHBondContact CD1-O 3.42Å; Y431-K433 HydrophobicContact CD1-CB 4.45Å; Y431-K433 HydrophobicContact CE1-CB 3.49Å; Y431-K433 VanDerWaalsContact CE1-CB 3.49Å; Y431-L451 HydrophobicContact CE1-CD2 4.41Å; Y431-S452 CarbonylContact O-C 3.51Å; Y431-S452 WeakPolarHBondContact O-CA 3.31Å; Y431-L453 PolarHBondContact N-O 3.42Å; Y431-L453 PolarHBondContact O-N 2.95Å; Y431-H558 PolarHBondContact OH-O 2.78Å; Y431-T561 HydrophobicContact CD2-CG2 4.17Å; Y431-T561 HydrophobicContact CE2-CG2 3.91Å; Y431-F562 AromaticContact CD1-CD2 3.74Å; Y431-F562 HydrophobicContact CD1-CD2 3.74Å; Y431-F562 HydrophobicContact CD2-CB 4.2Å; Y431-F562 HydrophobicContact CD2-CD2 4.44Å; Y431-F562 HydrophobicContact CE1-CB 4.24Å; Y431-F562 AromaticContact CE1-CD2 3.88Å; Y431-F562 HydrophobicContact CE1-CD2 3.88Å; Y431-F562 VanDerWaalsContact CE2-CA 3.48Å; Y431-F562 HydrophobicContact CE2-CB 3.75Å; Y431-F562 HydrophobicContact CG-CD2 4.03Å; Y431-C565 HydrophobicContact CD2-CB 4.29Å
432	G	85	Confident	71.5	Confident	35 Å²	35	69.5 Å²	69.5	36%	0.361	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152	128.1	172.8	0	0	0	0	0	111	Y450 L451	G432-Y450 WeakPolarHBondContact CA-OH 3.32Å; G432-L451 CarbonylContact C-O 3.57Å; G432-L451 WeakPolarHBondContact CA-O 3.46Å
433	K	82	Confident	72.1	Confident	70 Å²	70	66.3 Å²	66.3	30%	0.304	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	127.6	-179.3	-170.9	69.2	-174.6	-175.2	0	111.2	Y431 V436 L451 H558	Y431-K433 HydrophobicContact CD1-CB 4.45Å; Y431-K433 HydrophobicContact CE1-CB 3.49Å; Y431-K433 VanDerWaalsContact CE1-CB 3.49Å; K433-V436 HydrophobicContact CB-CG2 4.1Å; K433-V436 HydrophobicContact CG-CG2 4.01Å; K433-L451 PolarHBondContact N-O 3.01Å; K433-L451 PolarHBondContact O-N 3.12Å; K433-H558 WeakPolarHBondContact CE-NE2 3.48Å; K433-H558 PolarHBondContact NZ-CD2 3.09Å; K433-H558 PolarHBondContact NZ-CE1 3.04Å; K433-H558 PolarHBondContact NZ-NE2 3.36Å
434	N	83.4	Confident	72.9	Confident	82 Å²	82	68.1 Å²	68.1	44%	0.439	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	157.2	173.4	-160.7	3.1	0	0	0	111.4	V436 Y450 N469	N434-V436 VanDerWaalsContact C-N 3.35Å; N434-Y450 HydrophobicContact CB-CD2 3.97Å; N434-N469 PolarHBondContact OD1-ND2 3.33Å; N434-N469 PolarHBondContact OD1-OD1 3.47Å
435	N	82.3	Confident	73.8	Confident	79 Å²	79	71.4 Å²	71.4	42%	0.422	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	58.4	40.2	-177.8	-56.7	-20.8	0	0	0	113.1	G449 N469 Y554	N435-G449 PolarHBondContact N-O 3.34Å; N435-G449 VanDerWaalsContact N-O 3.1Å; N435-N469 PolarHBondContact OD1-ND2 3.27Å; N435-Y554 HydrophobicContact CB-CE2 4.2Å; N435-Y554 WeakPolarHBondContact O-CD2 3.49Å; N435-Y554 VanDerWaalsContact O-CE2 3.23Å; N435-Y554 WeakPolarHBondContact O-CE2 3.41Å
436	V	83.7	Confident	75.2	Confident	1 Å²	1	68.6 Å²	68.6	1%	0.006	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	122	161.3	-179.7	0	0	0	0	107.1	K433 N434 G449 L451 W466 F551 F553	K433-V436 HydrophobicContact CB-CG2 4.1Å; K433-V436 HydrophobicContact CG-CG2 4.01Å; N434-V436 VanDerWaalsContact C-N 3.35Å; V436-G449 PolarHBondContact N-O 3.39Å; V436-G449 PolarHBondContact O-N 2.96Å; V436-L451 HydrophobicContact CB-CB 4.03Å; V436-L451 HydrophobicContact CG1-CB 4.41Å; V436-L451 HydrophobicContact CG1-CD2 4.33Å; V436-L451 HydrophobicContact CG2-CB 3.74Å; V436-L451 HydrophobicContact CG2-CD2 4.3Å; V436-W466 PolarHBondContact O-NE1 2.91Å; V436-F551 HydrophobicContact CG1-CB 3.96Å; V436-F551 HydrophobicContact CG1-CD1 4.2Å; V436-F553 HydrophobicContact CG1-CD1 4.45Å; V436-F553 HydrophobicContact CG1-CD2 4.45Å; V436-F553 HydrophobicContact CG1-CE1 4.24Å; V436-F553 HydrophobicContact CG1-CE2 4.23Å; V436-F553 HydrophobicContact CG1-CZ 4.13Å; V436-F553 HydrophobicContact CG2-CD1 3.97Å; V436-F553 HydrophobicContact CG2-CE1 3.81Å; V436-F553 HydrophobicContact CG2-CZ 4.45Å
437	L	84.4	Confident	76.4	Confident	31 Å²	31	59.7 Å²	59.7	16%	0.162	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	132.4	-179.3	-70.5	171.8	0	0	0	110.1	P446 I447 P448 F551 H552 Y554	L437-P446 HydrophobicContact CB-CB 4.36Å; L437-P446 HydrophobicContact CD2-CB 4.44Å; L437-I447 WeakPolarHBondContact CA-O 3.48Å; L437-P448 HydrophobicContact CD2-CB 4Å; L437-F551 WeakPolarHBondContact O-CA 3.48Å; L437-H552 HydrophobicContact CB-CB 4.12Å; L437-H552 PolarHBondContact N-O 3.27Å; L437-H552 PolarHBondContact O-N 3Å; L437-Y554 HydrophobicContact CD1-CE1 4.36Å; L437-Y554 HydrophobicContact CD1-CE2 4.42Å; L437-Y554 HydrophobicContact CG-CE2 4.33Å
438	M	84	Confident	77.2	Confident	4 Å²	4	60.7 Å²	60.7	2%	0.02	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	137	170.5	-165.7	-164.8	79.7	0	0	108.7	P440 I447 W466 V517 A549 F551	M438-P440 HydrophobicContact CE-CB 4.11Å; M438-P440 VanDerWaalsContact O-CD 3.27Å; M438-P440 WeakPolarHBondContact O-CD 3.12Å; M438-I447 PolarHBondContact N-O 2.87Å; M438-I447 PolarHBondContact O-N 3.34Å; M438-W466 HydrophobicContact CB-CD2 3.98Å; M438-W466 HydrophobicContact CB-CE3 4.3Å; M438-W466 HydrophobicContact CB-CH2 3.97Å; M438-W466 HydrophobicContact CB-CZ2 3.62Å; M438-W466 HydrophobicContact CB-CZ3 4.29Å; M438-W466 HydrophobicContact CE-CD2 4.3Å; M438-W466 HydrophobicContact CE-CE3 3.54Å; M438-W466 HydrophobicContact CE-CH2 4.11Å; M438-W466 HydrophobicContact CE-CZ3 3.41Å; M438-W466 VanDerWaalsContact CE-CZ3 3.41Å; M438-W466 HydrophobicContact SD-CD2 3.94Å; M438-W466 HydrophobicContact SD-CE3 3.73Å; M438-W466 HydrophobicContact SD-CG 4.37Å; M438-W466 HydrophobicContact SD-CZ3 4.16Å; M438-V517 HydrophobicContact CE-CG2 3.79Å; M438-V517 HydrophobicContact SD-CG2 3.83Å; M438-A549 HydrophobicContact CE-CB 4.48Å; M438-A549 HydrophobicContact CG-CB 3.79Å; M438-A549 HydrophobicContact SD-CB 4.09Å; M438-F551 HydrophobicContact CB-CD1 4.19Å; M438-F551 HydrophobicContact CB-CE1 4.37Å; M438-F551 HydrophobicContact CG-CD1 4.05Å; M438-F551 HydrophobicContact CG-CE1 3.96Å; M438-F551 HydrophobicContact SD-CD1 4.34Å; M438-F551 HydrophobicContact SD-CE1 3.65Å; M438-F551 HydrophobicContact SD-CZ 4.23Å
439	Q	80.4	Confident	77.7	Confident	78 Å²	78	53.1 Å²	53.1	36%	0.364	31%	0.311	S	S	.	.			trans	-102	100.1	173.1	-173.1	164.9	5	0	0	109.5	S443 S444 P446 A549	Q439-S443 PolarHBondContact NE2-O 2.91Å; Q439-S444 PolarHBondContact NE2-O 3.48Å; Q439-P446 HydrophobicContact CB-CB 4.34Å; Q439-A549 WeakPolarHBondContact O-CB 3.02Å
440	P	68.1	Low	77.8	Confident	11 Å²	11	52.2 Å²	52.2	7%	0.071	30%	0.303	C	S	.	.			trans	-64.6	155.4	169.4	28.8	-34.7	0	0	0	110.6	M438 N442 S443 I447 Y515	M438-P440 HydrophobicContact CE-CB 4.11Å; M438-P440 VanDerWaalsContact O-CD 3.27Å; M438-P440 WeakPolarHBondContact O-CD 3.12Å; P440-N442 PolarHBondContact O-N 2.98Å; P440-S443 WeakPolarHBondContact CD-OG 3.49Å; P440-S443 WeakPolarHBondContact CG-OG 3.35Å; P440-S443 PolarHBondContact O-N 3.29Å; P440-I447 HydrophobicContact CG-CD1 3.95Å; P440-Y515 HydrophobicContact CB-CD1 3.67Å; P440-Y515 HydrophobicContact CB-CE1 4.3Å; P440-Y515 HydrophobicContact CB-CG 4.16Å; P440-Y515 HydrophobicContact CG-CD1 3.73Å; P440-Y515 HydrophobicContact CG-CD2 4.45Å; P440-Y515 HydrophobicContact CG-CE1 4.22Å; P440-Y515 HydrophobicContact CG-CG 3.87Å
441	S	62.5	Low	78.1	Confident	118 Å²	118	50.8 Å²	50.8	83%	0.825	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-12.3	-174.5	52.9	0	0	0	0	116
442	N	62.8	Low	78.1	Confident	124 Å²	124	50 Å²	50	66%	0.663	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.3	4	-171.8	-57.8	23.4	0	0	0	112.8	P440 Y515	P440-N442 PolarHBondContact O-N 2.98Å; N442-Y515 HydrophobicContact CB-CE1 4.2Å
443	S	62.3	Low	78.2	Confident	25 Å²	25	48.4 Å²	48.4	18%	0.175	28%	0.276	C	S	.	.			trans	-116	134.1	174.9	71.5	0	0	0	0	112.2	Q439 P440 N445	Q439-S443 PolarHBondContact NE2-O 2.91Å; P440-S443 WeakPolarHBondContact CD-OG 3.49Å; P440-S443 WeakPolarHBondContact CG-OG 3.35Å; P440-S443 PolarHBondContact O-N 3.29Å; S443-N445 VanDerWaalsContact C-N 3.25Å; S443-N445 PolarHBondContact O-N 3.21Å; S443-N445 PolarHBondContact OG-O 2.9Å
444	S	62.5	Low	78.3	Confident	107 Å²	107	45.2 Å²	45.2	75%	0.748	26%	0.262	S	S	*	.	S	Bend	trans	-64.4	-29.9	177.1	50.7	0	0	0	0	113.3	Q439	Q439-S444 PolarHBondContact NE2-O 3.48Å
445	N	70.8	Confident	78.3	Confident	113 Å²	113	41.9 Å²	41.9	60%	0.604	24%	0.244	S	C	*	.	S	Bend	trans	-114.2	151.6	-177.4	-64	-31.5	0	0	0	111.5	S443	S443-N445 VanDerWaalsContact C-N 3.25Å; S443-N445 PolarHBondContact O-N 3.21Å; S443-N445 PolarHBondContact OG-O 2.9Å
446	P	78.1	Confident	77.8	Confident	59 Å²	59	40 Å²	40	38%	0.383	23%	0.234	S	C	.	.	P	Polyproline II helix	trans	-70.1	134.7	171.6	29.5	-34.7	0	0	0	111.2	L437 Q439	L437-P446 HydrophobicContact CB-CB 4.36Å; L437-P446 HydrophobicContact CD2-CB 4.44Å; Q439-P446 HydrophobicContact CB-CB 4.34Å
447	I	82.1	Confident	76.7	Confident	20 Å²	20	45 Å²	45	10%	0.103	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	135.6	-175.3	-55.9	178.9	0	0	0	109.3	L437 M438 P440 W466 P468 Y515	L437-I447 WeakPolarHBondContact CA-O 3.48Å; M438-I447 PolarHBondContact N-O 2.87Å; M438-I447 PolarHBondContact O-N 3.34Å; P440-I447 HydrophobicContact CG-CD1 3.95Å; I447-W466 HydrophobicContact CB-CH2 4.2Å; I447-W466 HydrophobicContact CG2-CH2 4.25Å; I447-W466 WeakPolarHBondContact O-CZ2 3.45Å; I447-P468 HydrophobicContact CG2-CB 4.04Å; I447-Y515 HydrophobicContact CD1-CD2 4.17Å; I447-Y515 HydrophobicContact CD1-CE2 4.42Å
448	P	82.6	Confident	75.3	Confident	49 Å²	49	50 Å²	50	32%	0.318	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	135.5	173.1	30.4	-33.6	0	0	0	111.7	L437 N469	L437-P448 HydrophobicContact CD2-CB 4Å; P448-N469 WeakPolarHBondContact O-CB 3.36Å; P448-N469 PolarHBondContact O-N 3.28Å
449	G	84.1	Confident	74.1	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	174.3	177.8	0	0	0	0	0	114.5	N435 V436 T467 N469	N435-G449 PolarHBondContact N-O 3.34Å; N435-G449 VanDerWaalsContact N-O 3.1Å; V436-G449 PolarHBondContact N-O 3.39Å; V436-G449 PolarHBondContact O-N 2.96Å; G449-T467 CarbonylContact C-O 3.57Å; G449-T467 WeakPolarHBondContact CA-O 3.46Å; G449-N469 WeakPolarHBondContact CA-OD1 3.23Å
450	Y	85.6	Confident	73.4	Confident	42 Å²	42	54.7 Å²	54.7	17%	0.165	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	114.4	176	-174.6	-106.2	0	0	0	110.5	H422 G432 N434 W466 T467 N469	H422-Y450 PolarHBondContact CE1-OH 3.27Å; G432-Y450 WeakPolarHBondContact CA-OH 3.32Å; N434-Y450 HydrophobicContact CB-CD2 3.97Å; Y450-W466 WeakPolarHBondContact O-CA 3.48Å; Y450-T467 PolarHBondContact N-O 2.75Å; Y450-T467 PolarHBondContact O-N 2.95Å; Y450-T467 VanDerWaalsContact O-N 3.11Å; Y450-N469 PolarHBondContact N-OD1 2.85Å
451	L	86.8	Confident	73.7	Confident	1 Å²	1	56.4 Å²	56.4	1%	0.005	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	131.4	172.9	-169.6	72	0	0	0	109.7	Y431 G432 K433 V436 L464 K465 W466 F551 F553 F562	Y431-L451 HydrophobicContact CE1-CD2 4.41Å; G432-L451 CarbonylContact C-O 3.57Å; G432-L451 WeakPolarHBondContact CA-O 3.46Å; K433-L451 PolarHBondContact N-O 3.01Å; K433-L451 PolarHBondContact O-N 3.12Å; V436-L451 HydrophobicContact CB-CB 4.03Å; V436-L451 HydrophobicContact CG1-CB 4.41Å; V436-L451 HydrophobicContact CG1-CD2 4.33Å; V436-L451 HydrophobicContact CG2-CB 3.74Å; V436-L451 HydrophobicContact CG2-CD2 4.3Å; L451-L464 HydrophobicContact CD1-CD1 3.75Å; L451-L464 HydrophobicContact CD1-CD2 4.47Å; L451-L464 HydrophobicContact CD1-CG 4.13Å; L451-L464 HydrophobicContact CD2-CD1 4.45Å; L451-L464 HydrophobicContact CG-CD1 4.03Å; L451-K465 CarbonylContact C-O 3.54Å; L451-K465 WeakPolarHBondContact CA-O 3.28Å; L451-W466 HydrophobicContact CD1-CB 3.87Å; L451-W466 HydrophobicContact CD1-CG 4.35Å; L451-F551 HydrophobicContact CD1-CD1 4.08Å; L451-F551 HydrophobicContact CD1-CE1 3.85Å; L451-F551 HydrophobicContact CD1-CZ 4.22Å; L451-F553 HydrophobicContact CD2-CE1 4.01Å; L451-F553 HydrophobicContact CD2-CZ 3.61Å; L451-F562 HydrophobicContact CD2-CD2 4.15Å; L451-F562 HydrophobicContact CD2-CE2 4.1Å
452	S	87.4	Confident	74.8	Confident	2 Å²	2	50.9 Å²	50.9	1%	0.014	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	138.4	176.9	52.4	0	0	0	0	112.4	Y431 L464 K465	Y431-S452 CarbonylContact O-C 3.51Å; Y431-S452 WeakPolarHBondContact O-CA 3.31Å; S452-L464 CarbonylContact O-C 3.54Å; S452-L464 WeakPolarHBondContact O-CA 3.43Å; S452-K465 PolarHBondContact N-O 3.04Å; S452-K465 PolarHBondContact O-N 3.34Å
453	L	86.7	Confident	75.8	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	121.5	174.2	-169.1	75.6	0	0	0	108.2	L430 Y431 I462 L464 M521 F562 L566	L430-L453 HydrophobicContact CB-CB 4.41Å; L430-L453 HydrophobicContact CB-CD2 4.1Å; L430-L453 HydrophobicContact CB-CG 4.36Å; L430-L453 HydrophobicContact CD1-CD2 4.18Å; L430-L453 HydrophobicContact CD1-CG 4.45Å; L430-L453 PolarHBondContact N-O 3Å; Y431-L453 PolarHBondContact N-O 3.42Å; Y431-L453 PolarHBondContact O-N 2.95Å; L453-I462 HydrophobicContact CD1-CG2 3.47Å; L453-I462 VanDerWaalsContact CD1-CG2 3.47Å; L453-I462 HydrophobicContact CD2-CG2 4.4Å; L453-I462 HydrophobicContact CG-CG2 3.82Å; L453-L464 HydrophobicContact CB-CD1 4.47Å; L453-L464 HydrophobicContact CD1-CB 4.13Å; L453-L464 HydrophobicContact CD1-CD1 3.93Å; L453-M521 HydrophobicContact CD1-CG 4.03Å; L453-F562 HydrophobicContact CB-CE2 4.39Å; L453-F562 HydrophobicContact CD1-CE2 4.39Å; L453-L566 HydrophobicContact CD1-CD1 4.25Å; L453-L566 HydrophobicContact CD2-CB 4Å; L453-L566 HydrophobicContact CD2-CD1 4.1Å
454	I	83.4	Confident	77	Confident	3 Å²	3	44.4 Å²	44.4	2%	0.015	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	127.4	-169.6	-43.2	179.6	0	0	0	110.2	M421 L429 N456 I462 I463 K465	M421-I454 HydrophobicContact CB-CD1 4.25Å; M421-I454 HydrophobicContact CG-CD1 3.99Å; M421-I454 HydrophobicContact SD-CD1 3.39Å; M421-I454 WeakPolarHBondContact SD-CD1 3.32Å; L429-I454 HydrophobicContact CD1-CG1 4.05Å; I454-N456 VanDerWaalsContact CG2-OD1 3.27Å; I454-N456 WeakPolarHBondContact CG2-OD1 3.07Å; I454-I462 CarbonylContact O-C 3.54Å; I454-I462 WeakPolarHBondContact O-CA 3.27Å; I454-I463 PolarHBondContact N-O 3.35Å; I454-I463 PolarHBondContact O-N 3.07Å; I454-K465 HydrophobicContact CD1-CD 4.14Å
455	D	83.3	Confident	78.2	Confident	12 Å²	12	40.5 Å²	40.5	6%	0.064	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	115.5	166.2	-171.7	-45.6	0	0	0	109.2	T427 R428 L430 G459 L461 R573	T427-D455 CarbonylContact C-O 3.58Å; T427-D455 WeakPolarHBondContact CA-O 3.44Å; R428-D455 HydrophobicContact CB-CB 4.33Å; R428-D455 PolarHBondContact N-O 3.48Å; R428-D455 PolarHBondContact O-N 3.45Å; L430-D455 HydrophobicContact CD1-CB 4.18Å; L430-D455 HydrophobicContact CD2-CB 4.3Å; L430-D455 HydrophobicContact CG-CB 4.19Å; D455-G459 VanDerWaalsContact OD1-CA 3.23Å; D455-G459 WeakPolarHBondContact OD1-CA 3.3Å; D455-G459 PolarHBondContact OD1-N 2.91Å; D455-L461 CarbonylContact C-O 3.59Å; D455-L461 WeakPolarHBondContact CA-O 3.48Å; D455-R573 IonicContact OD1-NH2 3.48Å; D455-R573 PolarHBondContact OD1-NH2 2.9Å; D455-R573 IonicContact OD2-CZ 2.69Å; D455-R573 IonicContact OD2-NE 3.14Å; D455-R573 IonicContact OD2-NH2 2.74Å; D455-R573 PolarHBondContact OD2-NH2 3.41Å
456	N	71.5	Confident	79	Confident	40 Å²	40	35.1 Å²	35.1	21%	0.214	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	145.8	178.5	-83.5	29	0	0	0	111.9	T427 I454 K460 L461 I463	T427-N456 HydrophobicContact CG2-CB 4.29Å; T427-N456 VanDerWaalsContact CG2-CG 3.5Å; T427-N456 WeakPolarHBondContact CG2-OD1 3.41Å; I454-N456 VanDerWaalsContact CG2-OD1 3.27Å; I454-N456 WeakPolarHBondContact CG2-OD1 3.07Å; N456-K460 PolarHBondContact O-N 3.43Å; N456-L461 PolarHBondContact N-O 3.11Å; N456-L461 PolarHBondContact O-N 3.22Å; N456-L461 VanDerWaalsContact O-N 3.11Å; N456-I463 HydrophobicContact CB-CD1 4.39Å
457	E	62.2	Low	79.3	Confident	107 Å²	107	33 Å²	33	50%	0.5	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.9	52.6	174.9	-64	-173.8	-141.5	0	0	114.6	R426 G459 K460	R426-E457 PolarHBondContact O-N 2.84Å; E457-G459 PolarHBondContact O-N 2.89Å; E457-K460 HydrophobicContact CB-CB 4.16Å; E457-K460 HydrophobicContact CB-CD 3.94Å; E457-K460 HydrophobicContact CB-CG 4.29Å; E457-K460 WeakPolarHBondContact O-CG 3.21Å; E457-K460 PolarHBondContact O-N 2.93Å; E457-K460 WeakPolarHBondContact OE2-CD 3.03Å; E457-K460 WeakPolarHBondContact OE2-CE 3.2Å; E457-K460 IonicContact OE2-NZ 3.1Å; E457-K460 PolarHBondContact OE2-NZ 3.4Å
458	C	54.6	Low	79.2	Confident	134 Å²	134	32 Å²	32	91%	0.905	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.3	48.6	170.6	-157.7	0	0	0	0	112.7
459	G	57.7	Low	79.1	Confident	33 Å²	33	31 Å²	31	34%	0.34	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	88.5	11.7	176.6	0	0	0	0	0	115.9	D455 E457 R573	D455-G459 VanDerWaalsContact OD1-CA 3.23Å; D455-G459 WeakPolarHBondContact OD1-CA 3.3Å; D455-G459 PolarHBondContact OD1-N 2.91Å; E457-G459 PolarHBondContact O-N 2.89Å; G459-R573 VanDerWaalsContact C-NH2 3.27Å; G459-R573 VanDerWaalsContact O-CZ 3.27Å; G459-R573 PolarHBondContact O-NE 2.63Å; G459-R573 PolarHBondContact O-NH2 2.88Å
460	K	65.5	Low	78.5	Confident	148 Å²	148	33.1 Å²	33.1	64%	0.643	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-49.9	178.6	-69.5	-176.8	-156.1	169.4	0	114.3	N456 E457 R573	N456-K460 PolarHBondContact O-N 3.43Å; E457-K460 HydrophobicContact CB-CB 4.16Å; E457-K460 HydrophobicContact CB-CD 3.94Å; E457-K460 HydrophobicContact CB-CG 4.29Å; E457-K460 WeakPolarHBondContact O-CG 3.21Å; E457-K460 PolarHBondContact O-N 2.93Å; E457-K460 WeakPolarHBondContact OE2-CD 3.03Å; E457-K460 WeakPolarHBondContact OE2-CE 3.2Å; E457-K460 IonicContact OE2-NZ 3.1Å; E457-K460 PolarHBondContact OE2-NZ 3.4Å; K460-R573 VanDerWaalsContact C-CZ 3.49Å; K460-R573 VanDerWaalsContact C-NH1 3.29Å; K460-R573 PolarHBondContact O-NH1 2.82Å
461	L	76.2	Confident	77.5	Confident	47 Å²	47	31.2 Å²	31.2	25%	0.246	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	142	-169.6	-169	60.5	0	0	0	111	D455 N456 I463 K520 R573	D455-L461 CarbonylContact C-O 3.59Å; D455-L461 WeakPolarHBondContact CA-O 3.48Å; N456-L461 PolarHBondContact N-O 3.11Å; N456-L461 PolarHBondContact O-N 3.22Å; N456-L461 VanDerWaalsContact O-N 3.11Å; L461-I463 HydrophobicContact CD2-CD1 4.03Å; L461-I463 HydrophobicContact CD2-CG1 4Å; L461-I463 HydrophobicContact CG-CG1 4.02Å; L461-K520 HydrophobicContact CD1-CB 4.2Å; L461-K520 HydrophobicContact CD1-CD 4.29Å; L461-K520 HydrophobicContact CD1-CG 4.44Å; L461-K520 HydrophobicContact CD2-CD 4.2Å; L461-K520 HydrophobicContact CD2-CG 4.26Å; L461-R573 VanDerWaalsContact C-NH2 3.26Å; L461-R573 PolarHBondContact O-NH2 3.24Å
462	I	83.9	Confident	76.2	Confident	3 Å²	3	33.5 Å²	33.5	2%	0.015	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	129.9	169	-76.1	158.5	0	0	0	106.5	L430 L453 I454 M521 R573	L430-I462 HydrophobicContact CD1-CD1 4.06Å; L430-I462 HydrophobicContact CD1-CG1 4.06Å; L453-I462 HydrophobicContact CD1-CG2 3.47Å; L453-I462 VanDerWaalsContact CD1-CG2 3.47Å; L453-I462 HydrophobicContact CD2-CG2 4.4Å; L453-I462 HydrophobicContact CG-CG2 3.82Å; I454-I462 CarbonylContact O-C 3.54Å; I454-I462 WeakPolarHBondContact O-CA 3.27Å; I462-M521 HydrophobicContact CB-CB 4.23Å; I462-M521 HydrophobicContact CB-CG 4.41Å; I462-M521 HydrophobicContact CG2-CB 3.96Å; I462-M521 HydrophobicContact CG2-CG 3.62Å; I462-M521 PolarHBondContact O-N 2.95Å; I462-R573 VanDerWaalsContact N-NH1 3.1Å
463	I	84.7	Confident	74.3	Confident	11 Å²	11	37.8 Å²	37.8	6%	0.056	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	123.5	179.7	-52.1	-176.8	0	0	0	107.7	I454 N456 L461 K465 K518 I519	I454-I463 PolarHBondContact N-O 3.35Å; I454-I463 PolarHBondContact O-N 3.07Å; N456-I463 HydrophobicContact CB-CD1 4.39Å; L461-I463 HydrophobicContact CD2-CD1 4.03Å; L461-I463 HydrophobicContact CD2-CG1 4Å; L461-I463 HydrophobicContact CG-CG1 4.02Å; I463-K465 HydrophobicContact CG2-CG 4.12Å; I463-K518 HydrophobicContact CG2-CG 3.69Å; I463-I519 CarbonylContact C-O 3.51Å; I463-I519 WeakPolarHBondContact CA-O 3.15Å; I463-I519 WeakPolarHBondContact CG2-O 3.28Å
464	L	87.8	Confident	72.2	Confident	1 Å²	1	41.2 Å²	41.2	1%	0.005	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	130.9	165	-176	68.4	0	0	0	108.2	L451 S452 L453 K518 I519 M521 L540 F551 F562	L451-L464 HydrophobicContact CD1-CD1 3.75Å; L451-L464 HydrophobicContact CD1-CD2 4.47Å; L451-L464 HydrophobicContact CD1-CG 4.13Å; L451-L464 HydrophobicContact CD2-CD1 4.45Å; L451-L464 HydrophobicContact CG-CD1 4.03Å; S452-L464 CarbonylContact O-C 3.54Å; S452-L464 WeakPolarHBondContact O-CA 3.43Å; L453-L464 HydrophobicContact CB-CD1 4.47Å; L453-L464 HydrophobicContact CD1-CB 4.13Å; L453-L464 HydrophobicContact CD1-CD1 3.93Å; L464-K518 WeakPolarHBondContact O-CA 3.42Å; L464-I519 HydrophobicContact CB-CB 4.36Å; L464-I519 HydrophobicContact CD2-CD1 4.08Å; L464-I519 PolarHBondContact N-O 3.04Å; L464-I519 PolarHBondContact O-N 3.14Å; L464-M521 HydrophobicContact CB-CG 4.32Å; L464-M521 HydrophobicContact CB-SD 3.73Å; L464-M521 HydrophobicContact CD2-SD 4.21Å; L464-L540 HydrophobicContact CD2-CD1 3.48Å; L464-L540 VanDerWaalsContact CD2-CD1 3.48Å; L464-F551 HydrophobicContact CD2-CE2 4.17Å; L464-F551 HydrophobicContact CD2-CZ 4.4Å; L464-F562 HydrophobicContact CD1-CE2 3.54Å; L464-F562 HydrophobicContact CD1-CZ 3.75Å; L464-F562 HydrophobicContact CD2-CZ 4.3Å
465	K	87.1	Confident	70	Confident	25 Å²	25	46 Å²	46	11%	0.109	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	139.5	174.7	-77.7	178.1	169.2	-171.5	0	110.2	H417 M421 L451 S452 I454 I463 V517 K518	H417-K465 PolarHBondContact NE2-NZ 3.47Å; M421-K465 HydrophobicContact CE-CD 4.28Å; M421-K465 HydrophobicContact SD-CD 3.37Å; M421-K465 WeakPolarHBondContact SD-CD 3.43Å; M421-K465 PolarHBondContact SD-NZ 3.24Å; L451-K465 CarbonylContact C-O 3.54Å; L451-K465 WeakPolarHBondContact CA-O 3.28Å; S452-K465 PolarHBondContact N-O 3.04Å; S452-K465 PolarHBondContact O-N 3.34Å; I454-K465 HydrophobicContact CD1-CD 4.14Å; I463-K465 HydrophobicContact CG2-CG 4.12Å; K465-V517 CarbonylContact C-O 3.53Å; K465-V517 VanDerWaalsContact CA-O 3.27Å; K465-V517 WeakPolarHBondContact CA-O 3.35Å; K465-K518 HydrophobicContact CG-CB 4.33Å; K465-K518 HydrophobicContact CG-CG 4.11Å
466	W	88.7	Confident	67.6	Low	1 Å²	1	54.1 Å²	54.1	0%	0.004	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	132.1	167.7	-178.1	92.1	0	0	0	109.5	V436 M438 I447 Y450 L451 P468 Y515 A516 V517 F551	V436-W466 PolarHBondContact O-NE1 2.91Å; M438-W466 HydrophobicContact CB-CD2 3.98Å; M438-W466 HydrophobicContact CB-CE3 4.3Å; M438-W466 HydrophobicContact CB-CH2 3.97Å; M438-W466 HydrophobicContact CB-CZ2 3.62Å; M438-W466 HydrophobicContact CB-CZ3 4.29Å; M438-W466 HydrophobicContact CE-CD2 4.3Å; M438-W466 HydrophobicContact CE-CE3 3.54Å; M438-W466 HydrophobicContact CE-CH2 4.11Å; M438-W466 HydrophobicContact CE-CZ3 3.41Å; M438-W466 VanDerWaalsContact CE-CZ3 3.41Å; M438-W466 HydrophobicContact SD-CD2 3.94Å; M438-W466 HydrophobicContact SD-CE3 3.73Å; M438-W466 HydrophobicContact SD-CG 4.37Å; M438-W466 HydrophobicContact SD-CZ3 4.16Å; I447-W466 HydrophobicContact CB-CH2 4.2Å; I447-W466 HydrophobicContact CG2-CH2 4.25Å; I447-W466 WeakPolarHBondContact O-CZ2 3.45Å; Y450-W466 WeakPolarHBondContact O-CA 3.48Å; L451-W466 HydrophobicContact CD1-CB 3.87Å; L451-W466 HydrophobicContact CD1-CG 4.35Å; W466-P468 HydrophobicContact CE3-CG 4.46Å; W466-P468 HydrophobicContact CH2-CB 4.08Å; W466-P468 HydrophobicContact CH2-CG 3.73Å; W466-P468 HydrophobicContact CZ3-CB 4.36Å; W466-P468 HydrophobicContact CZ3-CG 3.54Å; W466-Y515 WeakPolarHBondContact CZ3-O 3.44Å; W466-A516 CarbonylContact O-C 3.49Å; W466-A516 WeakPolarHBondContact O-CA 3.47Å; W466-V517 HydrophobicContact CB-CB 4.37Å; W466-V517 PolarHBondContact N-O 3.28Å; W466-V517 PolarHBondContact O-N 2.99Å; W466-F551 HydrophobicContact CB-CE1 3.82Å; W466-F551 HydrophobicContact CB-CZ 4.48Å; W466-F551 AromaticContact CD1-CE1 4Å; W466-F551 HydrophobicContact CG-CD1 4.48Å; W466-F551 AromaticContact CG-CE1 3.88Å; W466-F551 HydrophobicContact CG-CE1 3.88Å
467	T	83.8	Confident	65.6	Low	13 Å²	13	58.1 Å²	58.1	8%	0.08	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	129.1	179.6	48.1	0	0	0	0	110.2	G449 Y450 W513 A516	G449-T467 CarbonylContact C-O 3.57Å; G449-T467 WeakPolarHBondContact CA-O 3.46Å; Y450-T467 PolarHBondContact N-O 2.75Å; Y450-T467 PolarHBondContact O-N 2.95Å; Y450-T467 VanDerWaalsContact O-N 3.11Å; T467-W513 HydrophobicContact CG2-CZ3 4.05Å; T467-A516 HydrophobicContact CG2-CB 4.1Å
468	P	80.7	Confident	64	Low	0 Å²	0	59.1 Å²	59.1	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.4	139.6	175.7	-21.1	28.9	0	0	0	111.9	I447 W466 S470 A471	I447-P468 HydrophobicContact CG2-CB 4.04Å; W466-P468 HydrophobicContact CE3-CG 4.46Å; W466-P468 HydrophobicContact CH2-CB 4.08Å; W466-P468 HydrophobicContact CH2-CG 3.73Å; W466-P468 HydrophobicContact CZ3-CB 4.36Å; W466-P468 HydrophobicContact CZ3-CG 3.54Å; P468-S470 VanDerWaalsContact C-N 3.29Å; P468-S470 PolarHBondContact O-N 3.01Å; P468-A471 HydrophobicContact CB-CB 4.21Å; P468-A471 HydrophobicContact CG-CB 4.48Å; P468-A471 WeakPolarHBondContact O-CB 3.26Å; P468-A471 PolarHBondContact O-N 3.31Å; P468-A471 VanDerWaalsContact O-N 3.1Å
469	N	78.9	Confident	62.8	Low	27 Å²	27	56.9 Å²	56.9	14%	0.144	32%	0.32	C	S	.	.	H	α-helix	trans	-63.3	-39.3	177.5	-74.1	-9.2	0	0	0	111.2	N434 N435 P448 G449 Y450 A471 V472 T473	N434-N469 PolarHBondContact OD1-ND2 3.33Å; N434-N469 PolarHBondContact OD1-OD1 3.47Å; N435-N469 PolarHBondContact OD1-ND2 3.27Å; P448-N469 WeakPolarHBondContact O-CB 3.36Å; P448-N469 PolarHBondContact O-N 3.28Å; G449-N469 WeakPolarHBondContact CA-OD1 3.23Å; Y450-N469 PolarHBondContact N-OD1 2.85Å; N469-A471 PolarHBondContact O-N 3.06Å; N469-A471 VanDerWaalsContact O-N 3.14Å; N469-V472 PolarHBondContact O-N 3.12Å; N469-T473 WeakPolarHBondContact O-CG2 3.29Å; N469-T473 PolarHBondContact O-N 3.15Å; N469-T473 PolarHBondContact O-OG1 3.12Å
470	S	71.3	Confident	61.3	Low	46 Å²	46	61 Å²	61	32%	0.322	34%	0.339	S	S	.	.	H	α-helix	trans	-57.3	-25.3	174.9	-44.5	0	0	0	0	114.1	P468	P468-S470 VanDerWaalsContact C-N 3.29Å; P468-S470 PolarHBondContact O-N 3.01Å
471	A	65	Low	59.4	Low	2 Å²	2	61.8 Å²	61.8	2%	0.017	35%	0.35	C	S	.	.	H	α-helix	trans	-76.5	-36	175.2	0	0	0	0	0	111.5	P468 N469 W513	P468-A471 HydrophobicContact CB-CB 4.21Å; P468-A471 HydrophobicContact CG-CB 4.48Å; P468-A471 WeakPolarHBondContact O-CB 3.26Å; P468-A471 PolarHBondContact O-N 3.31Å; P468-A471 VanDerWaalsContact O-N 3.1Å; N469-A471 PolarHBondContact O-N 3.06Å; N469-A471 VanDerWaalsContact O-N 3.14Å; A471-W513 VanDerWaalsContact C-CZ2 3.46Å; A471-W513 HydrophobicContact CB-CD2 3.82Å; A471-W513 HydrophobicContact CB-CE3 4.15Å; A471-W513 HydrophobicContact CB-CG 4.32Å; A471-W513 HydrophobicContact CB-CH2 4.04Å; A471-W513 HydrophobicContact CB-CZ2 3.71Å; A471-W513 HydrophobicContact CB-CZ3 4.25Å; A471-W513 WeakPolarHBondContact O-CZ2 3.38Å; A471-W513 PolarHBondContact O-NE1 2.88Å
472	V	60.2	Low	57.1	Low	49 Å²	49	65.1 Å²	65.1	30%	0.297	37%	0.372	S	S	.	.	H	α-helix	trans	-81.4	-26.1	-179.4	-175.4	0	0	0	0	112	V418 N469 W513	V418-V472 HydrophobicContact CG2-CG2 4.3Å; N469-V472 PolarHBondContact O-N 3.12Å; V472-W513 HydrophobicContact CG2-CH2 4.07Å
473	T	47.6	Very low	54.4	Low	92 Å²	92	73.2 Å²	73.2	56%	0.564	42%	0.416	S	S	*	.			trans	-99.8	10.9	-172.6	57.7	0	0	0	0	115.7	N469 P475	N469-T473 WeakPolarHBondContact O-CG2 3.29Å; N469-T473 PolarHBondContact O-N 3.15Å; N469-T473 PolarHBondContact O-OG1 3.12Å; T473-P475 WeakPolarHBondContact O-CD 3.38Å; T473-P475 VanDerWaalsContact O-CG 3.29Å; T473-P475 WeakPolarHBondContact O-CG 3.16Å
474	T	42.1	Very low	51.5	Low	72 Å²	72	78 Å²	78	44%	0.442	45%	0.45	S	S	.	.			trans	-54.5	108.7	174.8	44.5	0	0	0	0	111.6
475	P	36.7	Very low	48.7	Very low	102 Å²	102	86.2 Å²	86.2	66%	0.662	49%	0.488	S	S	*	.			trans	-84.5	166.8	-170.7	-8.4	26.5	0	0	0	113.4	T473 N477	T473-P475 WeakPolarHBondContact O-CD 3.38Å; T473-P475 VanDerWaalsContact O-CG 3.29Å; T473-P475 WeakPolarHBondContact O-CG 3.16Å; P475-N477 VanDerWaalsContact C-N 3.32Å; P475-N477 PolarHBondContact O-N 3.13Å
476	Q	34.4	Very low	45.9	Very low	183 Å²	183	91.4 Å²	91.4	86%	0.855	52%	0.517	S	S	*	.			trans	-71.7	78.2	173.3	-64.4	-178.7	-7.9	0	0	112.2
477	N	28.4	Very low	42.9	Very low	125 Å²	125	99.6 Å²	99.6	67%	0.668	56%	0.555	S	S	*	*			trans	-115.7	38.9	173.9	-84.7	-27.7	0	0	0	112.9	P475	P475-N477 VanDerWaalsContact C-N 3.32Å; P475-N477 PolarHBondContact O-N 3.13Å
478	I	28.6	Very low	40.1	Very low	127 Å²	127	106.7 Å²	106.7	65%	0.651	59%	0.587	S	S	*	*			trans	-130	73.1	168.9	-51.8	178	0	0	0	108.5	K408	K408-I478 PolarHBondContact NZ-O 2.9Å
479	S	28.9	Very low	37.4	Very low	87 Å²	87	115.2 Å²	115.2	61%	0.608	63%	0.625	S	S	*	*	S	Bend	trans	-153.8	-6.2	176.7	49	0	0	0	0	113.6
480	T	27.1	Very low	34.8	Very low	120 Å²	120	119.6 Å²	119.6	74%	0.736	66%	0.656	S	S	*	*	S	Bend	trans	-102.1	14	-174.6	43.7	0	0	0	0	114.4
481	L	25.5	Very low	32.4	Very low	164 Å²	164	124.8 Å²	124.8	86%	0.859	67%	0.673	S	S	*	*	S	Bend	trans	-124.3	17.1	-174.4	-103.4	164.1	0	0	0	114.6
482	T	27.3	Very low	30.6	Very low	118 Å²	118	130.1 Å²	130.1	72%	0.724	71%	0.71	S	S	*	*	S	Bend	trans	-143.2	73.3	172.7	55.5	0	0	0	0	111.7
483	N	28.5	Very low	28.8	Very low	173 Å²	173	132.1 Å²	132.1	93%	0.925	72%	0.723	S	S	*	*			trans	177.7	86.1	146	-93.7	-10.1	0	0	0	110.2
484	S	23.3	Very low	27.6	Very low	110 Å²	110	134.6 Å²	134.6	77%	0.769	73%	0.733	S	S	*	*			trans	-91.9	112.9	165.5	45.5	0	0	0	0	109.7
485	H	29	Very low	27	Very low	175 Å²	175	137 Å²	137	81%	0.81	75%	0.753	S	S	*	*			trans	-168.2	139.5	144.3	-107.5	63.8	0	0	0	109.8
486	N	28.3	Very low	26.3	Very low	133 Å²	133	138.7 Å²	138.7	71%	0.711	76%	0.756	S	S	*	*			trans	67.4	113.2	177	-48.2	-5.7	0	0	0	114.5
487	Q	25.4	Very low	25.9	Very low	174 Å²	174	137.3 Å²	137.3	81%	0.813	75%	0.753	S	S	*	*				73.1	122.1	66.9	-79.2	179.7	-34.8	0	0	112.3
488	E	25	Very low	25.7	Very low	162 Å²	162	137.4 Å²	137.4	76%	0.757	75%	0.754	S	S	*	*			cis	-143.5	161.4	12.6	-85.1	175.8	146.4	0	0	114.5
489	F	23.4	Very low	25.7	Very low	178 Å²	178	137.9 Å²	137.9	78%	0.781	76%	0.763	S	S	*	*			trans	25	151.5	148.4	-74.4	-96.2	0	0	0	122.8
490	C	24.6	Very low	25.4	Very low	120 Å²	120	145.1 Å²	145.1	81%	0.811	78%	0.776	S	S	*	*			cis	-140.4	172.5	26.2	-156.4	0	0	0	0	114.8
491	F	22.1	Very low	25.4	Very low	154 Å²	154	145.4 Å²	145.4	68%	0.675	78%	0.778	S	S	*	*			trans	-128.7	159.2	-157.6	-108.5	-78.4	0	0	0	116.5	T493	F491-T493 HydrophobicContact CD1-CG2 3.88Å; F491-T493 HydrophobicContact CE1-CG2 4.33Å
492	S	26	Very low	25.6	Very low	114 Å²	114	143.9 Å²	143.9	80%	0.797	77%	0.771	S	S	*	*			trans	-161	121.9	153.7	-64.6	0	0	0	0	106
493	T	22.5	Very low	25.6	Very low	92 Å²	92	146 Å²	146	56%	0.564	78%	0.776	S	S	*	*			cis	63.9	132	7.9	55.5	0	0	0	0	115.5	F491	F491-T493 HydrophobicContact CD1-CG2 3.88Å; F491-T493 HydrophobicContact CE1-CG2 4.33Å
494	D	23.7	Very low	25.8	Very low	143 Å²	143	143.6 Å²	143.6	77%	0.765	76%	0.764	S	S	*	*			cis	-143	144.1	2.1	-91.9	-43.7	0	0	0	114.1
495	S	28.1	Very low	26.3	Very low	124 Å²	124	143.3 Å²	143.3	87%	0.867	75%	0.754	S	S	*	*			trans	-166.4	146.3	133.4	-162	0	0	0	0	109.9
496	L	23.4	Very low	26.4	Very low	137 Å²	137	141.3 Å²	141.3	72%	0.717	75%	0.748	S	S	*	*			trans	-146.5	151.3	-165.2	-117.5	169.1	0	0	0	112
497	L	24.2	Very low	26.9	Very low	153 Å²	153	140.8 Å²	140.8	80%	0.801	75%	0.746	S	S	*	*			trans	70.4	156.4	170	-55.9	153.3	0	0	0	114.6
498	D	24.2	Very low	27.6	Very low	128 Å²	128	138.4 Å²	138.4	68%	0.684	73%	0.734	S	S	*	*			cis	-143.9	130.3	6.1	-166	6.1	0	0	0	112.1
499	T	29.1	Very low	28.3	Very low	137 Å²	137	136.8 Å²	136.8	84%	0.84	73%	0.725	S	S	*	*			trans	-166.2	134.4	144.3	11.2	0	0	0	0	110.1
500	R	23.6	Very low	29.4	Very low	238 Å²	238	134 Å²	134	90%	0.898	71%	0.714	S	S	*	*			trans	-86.6	131.3	170.8	-66.4	171.1	171.6	148.1	-4.6	110.3
501	V	27	Very low	30.9	Very low	126 Å²	126	131.9 Å²	131.9	76%	0.764	70%	0.697	S	S	*	*			trans	-137.2	125.7	157.5	-177.3	0	0	0	0	109.1
502	D	28.7	Very low	32.9	Very low	132 Å²	132	127.9 Å²	127.9	71%	0.706	68%	0.679	S	S	*	*			trans	9.4	151.5	163.4	-52.4	-46.2	0	0	0	123.9
503	L	27.5	Very low	34.7	Very low	162 Å²	162	125.8 Å²	125.8	85%	0.848	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.9	4.3	-172.6	-90.1	162.8	0	0	0	115.1
504	D	32.2	Very low	36.7	Very low	124 Å²	124	124.8 Å²	124.8	66%	0.663	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.1	-19	-175.5	-69.9	-57.2	0	0	0	113.9	L506 N507	D504-L506 PolarHBondContact O-N 3.07Å; D504-N507 PolarHBondContact O-N 2.76Å
505	D	34	Very low	39	Very low	104 Å²	104	120.3 Å²	120.3	56%	0.556	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.7	-3.4	-174.5	-120.2	49.7	0	0	0	116.1	K509	D505-K509 PolarHBondContact O-NZ 3.4Å
506	L	32.3	Very low	41.4	Very low	133 Å²	133	116.3 Å²	116.3	70%	0.696	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.3	-16.3	175.1	-69	176.3	0	0	0	113.5	D504	D504-L506 PolarHBondContact O-N 3.07Å
507	N	37.4	Very low	44.1	Very low	122 Å²	122	111.6 Å²	111.6	65%	0.652	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.2	-25.5	175.5	-100.6	-29.1	0	0	0	113.4	D504 K509 T511	D504-N507 PolarHBondContact O-N 2.76Å; N507-K509 VanDerWaalsContact C-N 3.31Å; N507-K509 PolarHBondContact O-N 2.81Å; N507-T511 PolarHBondContact O-OG1 3.17Å
508	E	41.4	Very low	46.9	Very low	124 Å²	124	111.5 Å²	111.5	58%	0.579	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.2	-23.7	-176.5	-62.8	-147.5	141.9	0	0	113.8	E510 T511 Y512	E508-E510 VanDerWaalsContact C-N 3.34Å; E508-E510 PolarHBondContact O-N 2.9Å; E508-T511 WeakPolarHBondContact CA-OG1 3.49Å; E508-T511 PolarHBondContact O-OG1 2.73Å; E508-T511 VanDerWaalsContact O-OG1 3.11Å; E508-Y512 WeakPolarHBondContact O-CE2 3.4Å
509	K	39.5	Very low	49.7	Very low	127 Å²	127	105.9 Å²	105.9	55%	0.552	55%	0.548	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-14.9	-174.6	-74.1	168	-175.6	119.4	0	113.9	D505 N507	D505-K509 PolarHBondContact O-NZ 3.4Å; N507-K509 VanDerWaalsContact C-N 3.31Å; N507-K509 PolarHBondContact O-N 2.81Å
510	E	45.4	Very low	52.2	Low	121 Å²	121	104.2 Å²	104.2	57%	0.565	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.2	-8.7	176.7	-56.3	-161	141.7	0	0	113.3	N407 E508	N407-E510 PolarHBondContact ND2-OE1 2.94Å; N407-E510 PolarHBondContact ND2-OE2 2.81Å; E508-E510 VanDerWaalsContact C-N 3.34Å; E508-E510 PolarHBondContact O-N 2.9Å
511	T	57.1	Low	55.1	Low	74 Å²	74	93 Å²	93	45%	0.454	49%	0.487	S	S	.	.	G	3₁₀ helix	trans	-90.8	-3.8	-171.6	23.5	0	0	0	0	115.5	N507 E508 W513 G514	N507-T511 PolarHBondContact O-OG1 3.17Å; E508-T511 WeakPolarHBondContact CA-OG1 3.49Å; E508-T511 PolarHBondContact O-OG1 2.73Å; E508-T511 VanDerWaalsContact O-OG1 3.11Å; T511-W513 PolarHBondContact O-N 3.47Å; T511-W513 VanDerWaalsContact O-N 3.08Å; T511-G514 PolarHBondContact O-N 2.85Å
512	Y	63.9	Low	57.6	Low	71 Å²	71	88.6 Å²	88.6	28%	0.278	46%	0.462	S	S	.	.	G	3₁₀ helix	trans	-56.8	-28.3	-179	-73.3	-80.4	0	0	0	114.6	E508 G514 Y515	E508-Y512 WeakPolarHBondContact O-CE2 3.4Å; Y512-G514 PolarHBondContact O-N 3.18Å; Y512-Y515 HydrophobicContact CD1-CD2 4.07Å; Y512-Y515 HydrophobicContact CD1-CE2 4.19Å; Y512-Y515 PolarHBondContact O-N 3.24Å; Y512-Y515 VanDerWaalsContact O-N 3.1Å
513	W	64.4	Low	60.1	Low	69 Å²	69	83.9 Å²	83.9	26%	0.261	44%	0.437	S	S	.	.	G	3₁₀ helix	trans	-66.1	-21.1	174	-73.2	108.2	0	0	0	113.6	A414 T467 A471 V472 T511 Y515 A516	A414-W513 HydrophobicContact CB-CD2 4.11Å; A414-W513 HydrophobicContact CB-CE3 4.34Å; A414-W513 HydrophobicContact CB-CH2 3.53Å; A414-W513 HydrophobicContact CB-CZ2 3.2Å; A414-W513 HydrophobicContact CB-CZ3 4.08Å; T467-W513 HydrophobicContact CG2-CZ3 4.05Å; A471-W513 VanDerWaalsContact C-CZ2 3.46Å; A471-W513 HydrophobicContact CB-CD2 3.82Å; A471-W513 HydrophobicContact CB-CE3 4.15Å; A471-W513 HydrophobicContact CB-CG 4.32Å; A471-W513 HydrophobicContact CB-CH2 4.04Å; A471-W513 HydrophobicContact CB-CZ2 3.71Å; A471-W513 HydrophobicContact CB-CZ3 4.25Å; A471-W513 WeakPolarHBondContact O-CZ2 3.38Å; A471-W513 PolarHBondContact O-NE1 2.88Å; V472-W513 HydrophobicContact CG2-CH2 4.07Å; T511-W513 PolarHBondContact O-N 3.47Å; T511-W513 VanDerWaalsContact O-N 3.08Å; W513-Y515 PolarHBondContact O-N 3.05Å; W513-A516 HydrophobicContact CE3-CB 4.21Å; W513-A516 WeakPolarHBondContact O-CB 3.49Å; W513-A516 PolarHBondContact O-N 3.17Å
514	G	63.2	Low	62.6	Low	71 Å²	71	76.2 Å²	76.2	73%	0.732	40%	0.397	S	S	*	.	G	3₁₀ helix	trans	-67.4	-17.7	171	0	0	0	0	0	114	T511 Y512	T511-G514 PolarHBondContact O-N 2.85Å; Y512-G514 PolarHBondContact O-N 3.18Å
515	Y	72.5	Confident	64.7	Low	49 Å²	49	72.5 Å²	72.5	19%	0.192	38%	0.378	C	S	.	.	G	3₁₀ helix	trans	-91.9	0.9	174.4	-50.1	-47.9	0	0	0	113.3	P440 N442 I447 W466 Y512 W513 V517	P440-Y515 HydrophobicContact CB-CD1 3.67Å; P440-Y515 HydrophobicContact CB-CE1 4.3Å; P440-Y515 HydrophobicContact CB-CG 4.16Å; P440-Y515 HydrophobicContact CG-CD1 3.73Å; P440-Y515 HydrophobicContact CG-CD2 4.45Å; P440-Y515 HydrophobicContact CG-CE1 4.22Å; P440-Y515 HydrophobicContact CG-CG 3.87Å; N442-Y515 HydrophobicContact CB-CE1 4.2Å; I447-Y515 HydrophobicContact CD1-CD2 4.17Å; I447-Y515 HydrophobicContact CD1-CE2 4.42Å; W466-Y515 WeakPolarHBondContact CZ3-O 3.44Å; Y512-Y515 HydrophobicContact CD1-CD2 4.07Å; Y512-Y515 HydrophobicContact CD1-CE2 4.19Å; Y512-Y515 PolarHBondContact O-N 3.24Å; Y512-Y515 VanDerWaalsContact O-N 3.1Å; W513-Y515 PolarHBondContact O-N 3.05Å; Y515-V517 PolarHBondContact O-N 2.81Å
516	A	78.3	Confident	66.7	Low	41 Å²	41	71.6 Å²	71.6	34%	0.339	37%	0.368	S	S	.	.			trans	-73.1	118.9	177.6	0	0	0	0	0	111.3	W466 T467 W513	W466-A516 CarbonylContact O-C 3.49Å; W466-A516 WeakPolarHBondContact O-CA 3.47Å; T467-A516 HydrophobicContact CG2-CB 4.1Å; W513-A516 HydrophobicContact CE3-CB 4.21Å; W513-A516 WeakPolarHBondContact O-CB 3.49Å; W513-A516 PolarHBondContact O-N 3.17Å
517	V	79.6	Confident	69	Low	38 Å²	38	65.4 Å²	65.4	23%	0.23	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	136.8	-176.2	174.8	0	0	0	0	110.5	M438 K465 W466 Y515 I519	M438-V517 HydrophobicContact CE-CG2 3.79Å; M438-V517 HydrophobicContact SD-CG2 3.83Å; K465-V517 CarbonylContact C-O 3.53Å; K465-V517 VanDerWaalsContact CA-O 3.27Å; K465-V517 WeakPolarHBondContact CA-O 3.35Å; W466-V517 HydrophobicContact CB-CB 4.37Å; W466-V517 PolarHBondContact N-O 3.28Å; W466-V517 PolarHBondContact O-N 2.99Å; Y515-V517 PolarHBondContact O-N 2.81Å; V517-I519 HydrophobicContact CG1-CD1 3.42Å; V517-I519 VanDerWaalsContact CG1-CD1 3.42Å; V517-I519 HydrophobicContact CG1-CG1 3.65Å
518	K	82.8	Confident	70.9	Confident	151 Å²	151	61.2 Å²	61.2	66%	0.657	31%	0.312	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-138.9	103.6	176.2	-179.5	-170.8	172.6	-169.5	0	109.8	I463 L464 K465	I463-K518 HydrophobicContact CG2-CG 3.69Å; L464-K518 WeakPolarHBondContact O-CA 3.42Å; K465-K518 HydrophobicContact CG-CB 4.33Å; K465-K518 HydrophobicContact CG-CG 4.11Å
519	I	83.4	Confident	72.8	Confident	9 Å²	9	55.7 Å²	55.7	5%	0.046	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	133.9	-175.8	-59.7	145.2	0	0	0	108.8	I463 L464 V517 M521 V524 L548 F551	I463-I519 CarbonylContact C-O 3.51Å; I463-I519 WeakPolarHBondContact CA-O 3.15Å; I463-I519 WeakPolarHBondContact CG2-O 3.28Å; L464-I519 HydrophobicContact CB-CB 4.36Å; L464-I519 HydrophobicContact CD2-CD1 4.08Å; L464-I519 PolarHBondContact N-O 3.04Å; L464-I519 PolarHBondContact O-N 3.14Å; V517-I519 HydrophobicContact CG1-CD1 3.42Å; V517-I519 VanDerWaalsContact CG1-CD1 3.42Å; V517-I519 HydrophobicContact CG1-CG1 3.65Å; I519-M521 HydrophobicContact CG2-SD 4.41Å; I519-V524 HydrophobicContact CG2-CG2 3.41Å; I519-V524 VanDerWaalsContact CG2-CG2 3.41Å; I519-L548 HydrophobicContact CD1-CD1 3.53Å; I519-L548 HydrophobicContact CD1-CD2 4.16Å; I519-L548 HydrophobicContact CD1-CG 4.4Å; I519-L548 HydrophobicContact CG1-CD1 3.92Å; I519-L548 HydrophobicContact CG1-CD2 4.21Å; I519-L548 HydrophobicContact CG2-CD1 4.27Å; I519-F551 HydrophobicContact CD1-CZ 4.49Å
520	K	82.6	Confident	74.6	Confident	102 Å²	102	52.4 Å²	52.4	44%	0.443	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	131.6	164.6	-51	177.8	-161.5	151.2	0	108.3	L461 S522 D523	L461-K520 HydrophobicContact CD1-CB 4.2Å; L461-K520 HydrophobicContact CD1-CD 4.29Å; L461-K520 HydrophobicContact CD1-CG 4.44Å; L461-K520 HydrophobicContact CD2-CD 4.2Å; L461-K520 HydrophobicContact CD2-CG 4.26Å; K520-S522 WeakPolarHBondContact CB-OG 3.47Å; K520-S522 PolarHBondContact O-N 3.13Å; K520-D523 HydrophobicContact CB-CB 4.47Å; K520-D523 WeakPolarHBondContact CD-OD2 3.45Å; K520-D523 IonicContact NZ-OD2 2.66Å; K520-D523 WeakPolarHBondContact O-CB 3.46Å; K520-D523 PolarHBondContact O-N 3.35Å
521	M	84.7	Confident	76.3	Confident	2 Å²	2	49.7 Å²	49.7	1%	0.01	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-2.7	178.5	-61.8	-56	-67.1	0	0	113.6	L453 I462 L464 I519 D523 V524 L540 L566 I705	L453-M521 HydrophobicContact CD1-CG 4.03Å; I462-M521 HydrophobicContact CB-CB 4.23Å; I462-M521 HydrophobicContact CB-CG 4.41Å; I462-M521 HydrophobicContact CG2-CB 3.96Å; I462-M521 HydrophobicContact CG2-CG 3.62Å; I462-M521 PolarHBondContact O-N 2.95Å; L464-M521 HydrophobicContact CB-CG 4.32Å; L464-M521 HydrophobicContact CB-SD 3.73Å; L464-M521 HydrophobicContact CD2-SD 4.21Å; I519-M521 HydrophobicContact CG2-SD 4.41Å; M521-D523 VanDerWaalsContact C-N 3.26Å; M521-V524 HydrophobicContact CE-CB 4.28Å; M521-V524 HydrophobicContact CE-CG1 4.46Å; M521-V524 HydrophobicContact CE-CG2 4.22Å; M521-V524 HydrophobicContact SD-CG2 3.97Å; M521-L540 HydrophobicContact CE-CD1 4.29Å; M521-L566 HydrophobicContact CB-CD1 4.47Å; M521-L566 HydrophobicContact CE-CD1 3.85Å; M521-L566 HydrophobicContact CE-CD2 3.78Å; M521-L566 HydrophobicContact CE-CG 4.5Å; M521-L566 HydrophobicContact CG-CD1 4.17Å; M521-I705 HydrophobicContact CE-CD1 4.1Å
522	S	78.8	Confident	76.9	Confident	34 Å²	34	52.9 Å²	52.9	24%	0.238	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-20.2	162.7	48.7	0	0	0	0	113.5	K520	K520-S522 WeakPolarHBondContact CB-OG 3.47Å; K520-S522 PolarHBondContact O-N 3.13Å
523	D	80.2	Confident	76.9	Confident	33 Å²	33	55.7 Å²	55.7	18%	0.176	29%	0.288	C	S	.	.	S	Bend	trans	-103.3	6.5	-170.8	-49.6	3.6	0	0	0	110.4	K520 M521 R542 N543	K520-D523 HydrophobicContact CB-CB 4.47Å; K520-D523 WeakPolarHBondContact CD-OD2 3.45Å; K520-D523 IonicContact NZ-OD2 2.66Å; K520-D523 WeakPolarHBondContact O-CB 3.46Å; K520-D523 PolarHBondContact O-N 3.35Å; M521-D523 VanDerWaalsContact C-N 3.26Å; D523-R542 CarbonylContact O-C 3.55Å; D523-R542 WeakPolarHBondContact O-CA 3.49Å; D523-R542 VanDerWaalsContact O-CB 3.26Å; D523-R542 WeakPolarHBondContact O-CB 3.35Å; D523-R542 WeakPolarHBondContact O-CG 3.21Å; D523-N543 PolarHBondContact O-N 3.3Å; D523-N543 PolarHBondContact O-OD1 2.91Å
524	V	80.5	Confident	77	Confident	1 Å²	1	58.3 Å²	58.3	1%	0.006	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	127.8	-178	-171	0	0	0	0	109.2	I519 M521 L540 I541 R542 I705	I519-V524 HydrophobicContact CG2-CG2 3.41Å; I519-V524 VanDerWaalsContact CG2-CG2 3.41Å; M521-V524 HydrophobicContact CE-CB 4.28Å; M521-V524 HydrophobicContact CE-CG1 4.46Å; M521-V524 HydrophobicContact CE-CG2 4.22Å; M521-V524 HydrophobicContact SD-CG2 3.97Å; V524-L540 HydrophobicContact CG1-CB 3.99Å; V524-L540 HydrophobicContact CG1-CD2 4.34Å; V524-I541 WeakPolarHBondContact CG1-O 2.78Å; V524-R542 HydrophobicContact CG2-CG 4.25Å; V524-I705 HydrophobicContact CB-CD1 4.22Å; V524-I705 HydrophobicContact CG1-CD1 3.56Å; V524-I705 WeakPolarHBondContact O-CG2 3.39Å
525	V	76	Confident	77.4	Confident	46 Å²	46	60.4 Å²	60.4	28%	0.279	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	-31.5	-174.4	-173.5	0	0	0	0	112	I541 N543 Q704 I705	V525-I541 PolarHBondContact N-O 2.94Å; V525-N543 HydrophobicContact CG2-CB 3.73Å; V525-Q704 WeakPolarHBondContact O-CA 3.48Å; V525-I705 PolarHBondContact O-N 3.37Å
526	Y	75.7	Confident	78	Confident	85 Å²	85	59.4 Å²	59.4	33%	0.333	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	149.9	176.2	-59	-80.2	0	0	0	111.8	I541 V702 Y703 Q704	Y526-I541 PolarHBondContact N-O 3.39Å; Y526-I541 PolarHBondContact O-N 2.86Å; Y526-V702 HydrophobicContact CD1-CG1 4.06Å; Y526-Y703 CarbonylContact C-O 3.58Å; Y526-Y703 VanDerWaalsContact CA-O 3.29Å; Y526-Y703 WeakPolarHBondContact CA-O 3.41Å; Y526-Q704 HydrophobicContact CD1-CB 3.87Å; Y526-Q704 HydrophobicContact CD1-CG 4.08Å; Y526-Q704 HydrophobicContact CE1-CB 3.77Å; Y526-Q704 HydrophobicContact CE1-CG 3.67Å
527	G	80.5	Confident	78.3	Confident	3 Å²	3	58.5 Å²	58.5	3%	0.031	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	120.1	164.3	0	0	0	0	0	109.4	T539 Y703	G527-T539 CarbonylContact C-O 3.6Å; G527-T539 VanDerWaalsContact CA-O 3.28Å; G527-T539 WeakPolarHBondContact CA-O 3.28Å; G527-Y703 PolarHBondContact N-O 2.81Å; G527-Y703 PolarHBondContact O-N 3.01Å
528	H	77.9	Confident	78.7	Confident	34 Å²	34	56.7 Å²	56.7	16%	0.157	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	119.4	177.7	-167.6	-168	0	0	0	109.6	H530 T539 Q700	H528-H530 AromaticContact CE1-CE1 3.39Å; H528-H530 PolarHBondContact CE1-CE1 3.27Å; H528-H530 AromaticContact CE1-NE2 3.21Å; H528-H530 PolarHBondContact CE1-NE2 3.41Å; H528-H530 AromaticContact CG-NE2 3.87Å; H528-H530 AromaticContact ND1-CD2 3.97Å; H528-H530 AromaticContact ND1-CE1 3.87Å; H528-H530 AromaticContact ND1-NE2 3.21Å; H528-H530 PolarHBondContact ND1-NE2 3.41Å; H528-H530 AromaticContact NE2-CE1 3.93Å; H528-H530 AromaticContact NE2-NE2 3.86Å; H528-T539 PolarHBondContact N-O 3.01Å; H528-T539 PolarHBondContact O-N 2.71Å; H528-Q700 PolarHBondContact CE1-OE1 3.41Å; H528-Q700 VanDerWaalsContact CE1-OE1 3.27Å; H528-Q700 WeakPolarHBondContact NE2-CB 3.34Å; H528-Q700 PolarHBondContact NE2-OE1 3.19Å
529	Y	81.8	Confident	78.8	Confident	9 Å²	9	49.9 Å²	49.9	4%	0.035	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	130	176.2	173	-110.7	0	0	0	110.6	E531 Y536 T537 Q556 V559 H701	Y529-E531 HydrophobicContact CE1-CB 4.15Å; Y529-E531 PolarHBondContact OH-OE2 3.06Å; Y529-Y536 WeakPolarHBondContact OH-CD1 3.41Å; Y529-T537 WeakPolarHBondContact CA-O 3.45Å; Y529-Q556 WeakPolarHBondContact OH-CG 3.38Å; Y529-V559 HydrophobicContact CD2-CG1 3.79Å; Y529-V559 HydrophobicContact CE2-CB 4.17Å; Y529-V559 HydrophobicContact CE2-CG1 3.81Å; Y529-V559 HydrophobicContact CE2-CG2 4.13Å; Y529-H701 HydrophobicContact CD1-CB 4.18Å; Y529-H701 PolarHBondContact N-O 3.39Å; Y529-H701 PolarHBondContact O-N 3.15Å
530	H	78.1	Confident	78.9	Confident	57 Å²	57	49.6 Å²	49.6	26%	0.264	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	140.2	172.1	-68.3	-95.4	0	0	0	110.1	H528 T537	H528-H530 AromaticContact CE1-CE1 3.39Å; H528-H530 PolarHBondContact CE1-CE1 3.27Å; H528-H530 AromaticContact CE1-NE2 3.21Å; H528-H530 PolarHBondContact CE1-NE2 3.41Å; H528-H530 AromaticContact CG-NE2 3.87Å; H528-H530 AromaticContact ND1-CD2 3.97Å; H528-H530 AromaticContact ND1-CE1 3.87Å; H528-H530 AromaticContact ND1-NE2 3.21Å; H528-H530 PolarHBondContact ND1-NE2 3.41Å; H528-H530 AromaticContact NE2-CE1 3.93Å; H528-H530 AromaticContact NE2-NE2 3.86Å; H530-T537 PolarHBondContact N-O 2.86Å; H530-T537 PolarHBondContact O-N 3.08Å
531	E	80.5	Confident	78.8	Confident	65 Å²	65	47.1 Å²	47.1	30%	0.304	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	113.7	169.8	-171.1	163.8	146.1	0	0	108.9	Y529 Y536 Q556	Y529-E531 HydrophobicContact CE1-CB 4.15Å; Y529-E531 PolarHBondContact OH-OE2 3.06Å; E531-Y536 HydrophobicContact CG-CD1 3.84Å; E531-Y536 HydrophobicContact CG-CE1 3.81Å; E531-Q556 VanDerWaalsContact CD-NE2 3.33Å; E531-Q556 PolarHBondContact OE1-NE2 2.83Å; E531-Q556 VanDerWaalsContact OE1-NE2 3.09Å; E531-Q556 PolarHBondContact OE2-NE2 2.95Å
532	F	69.3	Low	78.5	Confident	141 Å²	141	49.7 Å²	49.7	62%	0.618	24%	0.243	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-146.1	126.1	-178.7	-174	-104.5	0	0	0	110.5	N534 Q535 P698	F532-N534 PolarHBondContact O-N 2.79Å; F532-Q535 PolarHBondContact N-O 3.05Å; F532-Q535 VanDerWaalsContact N-O 3.13Å; F532-Q535 WeakPolarHBondContact O-CA 3.38Å; F532-Q535 WeakPolarHBondContact O-CB 3.31Å; F532-Q535 PolarHBondContact O-N 3.08Å; F532-P698 HydrophobicContact CD2-CB 3.83Å; F532-P698 HydrophobicContact CD2-CG 3.72Å; F532-P698 HydrophobicContact CE2-CG 4.34Å
533	D	64.5	Low	78.4	Confident	129 Å²	129	52.8 Å²	52.8	69%	0.69	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	44.9	53.8	176.7	-161.2	25.6	0	0	0	114.6	Q535	D533-Q535 PolarHBondContact O-N 3.23Å
534	N	66.9	Low	78.1	Confident	125 Å²	125	55.1 Å²	55.1	67%	0.668	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.7	12	-174.4	-81.2	-55.7	0	0	0	116.2	F532 Y536	F532-N534 PolarHBondContact O-N 2.79Å; N534-Y536 VanDerWaalsContact O-CD2 3.29Å; N534-Y536 WeakPolarHBondContact O-CD2 3.08Å; N534-Y536 WeakPolarHBondContact O-CE2 3.37Å; N534-Y536 PolarHBondContact OD1-OH 3.23Å
535	Q	70.3	Confident	77.6	Confident	115 Å²	115	57.9 Å²	57.9	54%	0.537	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	125.9	169.9	-53.3	-169.8	24.8	0	0	110	F532 D533	F532-Q535 PolarHBondContact N-O 3.05Å; F532-Q535 VanDerWaalsContact N-O 3.13Å; F532-Q535 WeakPolarHBondContact O-CA 3.38Å; F532-Q535 WeakPolarHBondContact O-CB 3.31Å; F532-Q535 PolarHBondContact O-N 3.08Å; D533-Q535 PolarHBondContact O-N 3.23Å
536	Y	85.9	Confident	77.4	Confident	28 Å²	28	60.1 Å²	60.1	11%	0.11	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	100.3	-172.7	-52.7	-80.7	0	0	0	108.9	Y529 E531 N534 F553 A555 Q556	Y529-Y536 WeakPolarHBondContact OH-CD1 3.41Å; E531-Y536 HydrophobicContact CG-CD1 3.84Å; E531-Y536 HydrophobicContact CG-CE1 3.81Å; N534-Y536 VanDerWaalsContact O-CD2 3.29Å; N534-Y536 WeakPolarHBondContact O-CD2 3.08Å; N534-Y536 WeakPolarHBondContact O-CE2 3.37Å; N534-Y536 PolarHBondContact OD1-OH 3.23Å; Y536-F553 WeakPolarHBondContact CD2-O 3.3Å; Y536-F553 PolarHBondContact O-N 3.4Å; Y536-A555 VanDerWaalsContact CD2-C 3.49Å; Y536-A555 VanDerWaalsContact CD2-CA 3.49Å; Y536-Q556 HydrophobicContact CD1-CB 3.73Å; Y536-Q556 HydrophobicContact CD1-CG 3.84Å; Y536-Q556 HydrophobicContact CE1-CB 3.44Å; Y536-Q556 VanDerWaalsContact CE1-CB 3.44Å; Y536-Q556 HydrophobicContact CE1-CG 3.72Å; Y536-Q556 HydrophobicContact CG-CB 4.4Å
537	T	84.5	Confident	77.5	Confident	21 Å²	21	62.2 Å²	62.2	13%	0.129	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	122.7	-164.6	-56.6	0	0	0	0	111.3	Y529 H530 P550 H552	Y529-T537 WeakPolarHBondContact CA-O 3.45Å; H530-T537 PolarHBondContact N-O 2.86Å; H530-T537 PolarHBondContact O-N 3.08Å; T537-P550 HydrophobicContact CG2-CB 3.56Å; T537-H552 PolarHBondContact OG1-CD2 3.44Å
538	L	88	Confident	77.5	Confident	1 Å²	1	63.5 Å²	63.5	1%	0.005	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	116.5	176.8	-177.8	65.7	0	0	0	110.7	L540 F551 F553 F562	L538-L540 HydrophobicContact CD1-CD2 4.48Å; L538-L540 HydrophobicContact CD2-CD2 4.46Å; L538-L540 HydrophobicContact CG-CD2 4.32Å; L538-F551 PolarHBondContact N-O 3.36Å; L538-F551 PolarHBondContact O-N 2.96Å; L538-F553 HydrophobicContact CB-CE2 4.06Å; L538-F562 HydrophobicContact CD2-CD1 3.62Å; L538-F562 HydrophobicContact CD2-CE1 3.55Å
539	T	85.3	Confident	77.6	Confident	8 Å²	8	63.3 Å²	63.3	5%	0.049	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	139.4	173.1	-64.7	0	0	0	0	109.2	G527 H528 Q547	G527-T539 CarbonylContact C-O 3.6Å; G527-T539 VanDerWaalsContact CA-O 3.28Å; G527-T539 WeakPolarHBondContact CA-O 3.28Å; H528-T539 PolarHBondContact N-O 3.01Å; H528-T539 PolarHBondContact O-N 2.71Å; T539-Q547 HydrophobicContact CG2-CG 3.41Å; T539-Q547 VanDerWaalsContact CG2-CG 3.41Å
540	L	84.8	Confident	77.7	Confident	2 Å²	2	64.7 Å²	64.7	1%	0.01	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	139.2	174.6	-63.3	-178	0	0	0	110.3	L464 M521 V524 L538 L548 F551 I705	L464-L540 HydrophobicContact CD2-CD1 3.48Å; L464-L540 VanDerWaalsContact CD2-CD1 3.48Å; M521-L540 HydrophobicContact CE-CD1 4.29Å; V524-L540 HydrophobicContact CG1-CB 3.99Å; V524-L540 HydrophobicContact CG1-CD2 4.34Å; L538-L540 HydrophobicContact CD1-CD2 4.48Å; L538-L540 HydrophobicContact CD2-CD2 4.46Å; L538-L540 HydrophobicContact CG-CD2 4.32Å; L540-L548 HydrophobicContact CB-CB 4.4Å; L540-L548 HydrophobicContact CB-CD1 3.72Å; L540-L548 VanDerWaalsContact O-CB 3.32Å; L540-L548 WeakPolarHBondContact O-CB 3.32Å; L540-L548 PolarHBondContact O-N 2.96Å; L540-F551 HydrophobicContact CD1-CE2 4.27Å; L540-I705 HydrophobicContact CD2-CD1 4.38Å
541	I	80.2	Confident	78.1	Confident	50 Å²	50	62.2 Å²	62.2	26%	0.256	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	125.1	-178.4	-52.6	177.2	0	0	0	109	V524 V525 Y526	V524-I541 WeakPolarHBondContact CG1-O 2.78Å; V525-I541 PolarHBondContact N-O 2.94Å; Y526-I541 PolarHBondContact N-O 3.39Å; Y526-I541 PolarHBondContact O-N 2.86Å
542	R	79.1	Confident	78.4	Confident	57 Å²	57	61 Å²	61	22%	0.215	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	166	-177	-75.1	-175.1	54.2	-102.2	-17.9	113.5	D523 V524 D544 G545 I546 L548	D523-R542 CarbonylContact O-C 3.55Å; D523-R542 WeakPolarHBondContact O-CA 3.49Å; D523-R542 VanDerWaalsContact O-CB 3.26Å; D523-R542 WeakPolarHBondContact O-CB 3.35Å; D523-R542 WeakPolarHBondContact O-CG 3.21Å; V524-R542 HydrophobicContact CG2-CG 4.25Å; R542-D544 WeakPolarHBondContact CB-OD1 3.49Å; R542-D544 IonicContact CZ-OD1 3.96Å; R542-D544 IonicContact CZ-OD2 2.68Å; R542-D544 VanDerWaalsContact NH1-CG 3.31Å; R542-D544 IonicContact NH1-OD1 3.29Å; R542-D544 PolarHBondContact NH1-OD1 3.37Å; R542-D544 VanDerWaalsContact NH1-OD1 3.14Å; R542-D544 IonicContact NH1-OD2 3.87Å; R542-D544 PolarHBondContact NH1-OD2 3.35Å; R542-D544 IonicContact NH2-OD1 3.99Å; R542-D544 IonicContact NH2-OD2 3.6Å; R542-D544 PolarHBondContact NH2-OD2 3.29Å; R542-D544 PolarHBondContact O-N 3.13Å; R542-G545 WeakPolarHBondContact O-CA 3.45Å; R542-G545 PolarHBondContact O-N 2.7Å; R542-I546 PolarHBondContact N-O 2.95Å; R542-L548 HydrophobicContact CG-CD1 3.77Å; R542-L548 HydrophobicContact CG-CG 4.19Å
543	N	76.7	Confident	79.3	Confident	99 Å²	99	54.7 Å²	54.7	53%	0.529	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-16.3	-179.4	63	-13.8	0	0	0	114.6	D523 V525 G545	D523-N543 PolarHBondContact O-N 3.3Å; D523-N543 PolarHBondContact O-OD1 2.91Å; V525-N543 HydrophobicContact CG2-CB 3.73Å; N543-G545 VanDerWaalsContact C-N 3.28Å
544	D	73	Confident	80	Confident	82 Å²	82	56 Å²	56	44%	0.439	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	10.1	167.7	51.4	15.5	0	0	0	113.1	R542 I546	R542-D544 WeakPolarHBondContact CB-OD1 3.49Å; R542-D544 IonicContact CZ-OD1 3.96Å; R542-D544 IonicContact CZ-OD2 2.68Å; R542-D544 VanDerWaalsContact NH1-CG 3.31Å; R542-D544 IonicContact NH1-OD1 3.29Å; R542-D544 PolarHBondContact NH1-OD1 3.37Å; R542-D544 VanDerWaalsContact NH1-OD1 3.14Å; R542-D544 IonicContact NH1-OD2 3.87Å; R542-D544 PolarHBondContact NH1-OD2 3.35Å; R542-D544 IonicContact NH2-OD1 3.99Å; R542-D544 IonicContact NH2-OD2 3.6Å; R542-D544 PolarHBondContact NH2-OD2 3.29Å; R542-D544 PolarHBondContact O-N 3.13Å; D544-I546 HydrophobicContact CB-CG1 4.47Å; D544-I546 PolarHBondContact O-N 3.18Å; D544-I546 WeakPolarHBondContact OD1-CB 3.2Å; D544-I546 WeakPolarHBondContact OD1-CG1 3.17Å; D544-I546 PolarHBondContact OD1-N 3.14Å
545	G	69.9	Low	80.7	Confident	58 Å²	58	51.2 Å²	51.2	60%	0.598	27%	0.27	S	S	*	.	S	Bend	trans	77.3	-2	-178.7	0	0	0	0	0	114.4	R542 N543 Q547	R542-G545 WeakPolarHBondContact O-CA 3.45Å; R542-G545 PolarHBondContact O-N 2.7Å; N543-G545 VanDerWaalsContact C-N 3.28Å; G545-Q547 PolarHBondContact O-N 3.35Å
546	I	73.8	Confident	81.2	Confident	93 Å²	93	49.6 Å²	49.6	48%	0.477	26%	0.263	S	S	.	.	P	Polyproline II helix	trans	-73.5	118.6	-176.3	-59.3	177.9	0	0	0	110	R542 D544 L548	R542-I546 PolarHBondContact N-O 2.95Å; D544-I546 HydrophobicContact CB-CG1 4.47Å; D544-I546 PolarHBondContact O-N 3.18Å; D544-I546 WeakPolarHBondContact OD1-CB 3.2Å; D544-I546 WeakPolarHBondContact OD1-CG1 3.17Å; D544-I546 PolarHBondContact OD1-N 3.14Å; I546-L548 PolarHBondContact O-N 3.27Å
547	Q	77.7	Confident	80.9	Confident	129 Å²	129	51.6 Å²	51.6	60%	0.603	28%	0.281	S	S	*	.	B	Isolated β-bridge	trans	-70.8	122.1	167.2	-174.6	177.2	-19.6	0	0	109.5	T539 G545	T539-Q547 HydrophobicContact CG2-CG 3.41Å; T539-Q547 VanDerWaalsContact CG2-CG 3.41Å; G545-Q547 PolarHBondContact O-N 3.35Å
548	L	79.3	Confident	80.9	Confident	30 Å²	30	53 Å²	53	16%	0.157	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-79.5	155.1	174.5	-67.3	159.6	0	0	0	110.5	I519 L540 R542 I546	I519-L548 HydrophobicContact CD1-CD1 3.53Å; I519-L548 HydrophobicContact CD1-CD2 4.16Å; I519-L548 HydrophobicContact CD1-CG 4.4Å; I519-L548 HydrophobicContact CG1-CD1 3.92Å; I519-L548 HydrophobicContact CG1-CD2 4.21Å; I519-L548 HydrophobicContact CG2-CD1 4.27Å; L540-L548 HydrophobicContact CB-CB 4.4Å; L540-L548 HydrophobicContact CB-CD1 3.72Å; L540-L548 VanDerWaalsContact O-CB 3.32Å; L540-L548 WeakPolarHBondContact O-CB 3.32Å; L540-L548 PolarHBondContact O-N 2.96Å; R542-L548 HydrophobicContact CG-CD1 3.77Å; R542-L548 HydrophobicContact CG-CG 4.19Å; I546-L548 PolarHBondContact O-N 3.27Å
549	A	80.3	Confident	80.7	Confident	30 Å²	30	52.9 Å²	52.9	25%	0.248	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-55	134.5	178.1	0	0	0	0	0	111.6	M438 Q439 F551	M438-A549 HydrophobicContact CE-CB 4.48Å; M438-A549 HydrophobicContact CG-CB 3.79Å; M438-A549 HydrophobicContact SD-CB 4.09Å; Q439-A549 WeakPolarHBondContact O-CB 3.02Å; A549-F551 PolarHBondContact O-N 2.98Å
550	P	82.8	Confident	80.6	Confident	39 Å²	39	57 Å²	57	25%	0.253	31%	0.307	S	S	.	.	P	Polyproline II helix	trans	-64.5	130.3	-176.9	21.1	-30.4	0	0	0	112.5	T537 H552	T537-P550 HydrophobicContact CG2-CB 3.56Å; P550-H552 PolarHBondContact O-CE1 3Å; P550-H552 PolarHBondContact O-ND1 3.1Å; P550-H552 VanDerWaalsContact O-ND1 3.16Å
551	F	88	Confident	80.5	Confident	4 Å²	4	60.4 Å²	60.4	2%	0.018	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	115	171.8	-61.4	-72.2	0	0	0	109.5	V436 L437 M438 L451 L464 W466 I519 L538 L540 A549 F553	V436-F551 HydrophobicContact CG1-CB 3.96Å; V436-F551 HydrophobicContact CG1-CD1 4.2Å; L437-F551 WeakPolarHBondContact O-CA 3.48Å; M438-F551 HydrophobicContact CB-CD1 4.19Å; M438-F551 HydrophobicContact CB-CE1 4.37Å; M438-F551 HydrophobicContact CG-CD1 4.05Å; M438-F551 HydrophobicContact CG-CE1 3.96Å; M438-F551 HydrophobicContact SD-CD1 4.34Å; M438-F551 HydrophobicContact SD-CE1 3.65Å; M438-F551 HydrophobicContact SD-CZ 4.23Å; L451-F551 HydrophobicContact CD1-CD1 4.08Å; L451-F551 HydrophobicContact CD1-CE1 3.85Å; L451-F551 HydrophobicContact CD1-CZ 4.22Å; L464-F551 HydrophobicContact CD2-CE2 4.17Å; L464-F551 HydrophobicContact CD2-CZ 4.4Å; W466-F551 HydrophobicContact CB-CE1 3.82Å; W466-F551 HydrophobicContact CB-CZ 4.48Å; W466-F551 AromaticContact CD1-CE1 4Å; W466-F551 HydrophobicContact CG-CD1 4.48Å; W466-F551 AromaticContact CG-CE1 3.88Å; W466-F551 HydrophobicContact CG-CE1 3.88Å; I519-F551 HydrophobicContact CD1-CZ 4.49Å; L538-F551 PolarHBondContact N-O 3.36Å; L538-F551 PolarHBondContact O-N 2.96Å; L540-F551 HydrophobicContact CD1-CE2 4.27Å; A549-F551 PolarHBondContact O-N 2.98Å; F551-F553 HydrophobicContact CB-CD2 4.49Å; F551-F553 HydrophobicContact CB-CE2 3.79Å; F551-F553 HydrophobicContact CB-CZ 4.46Å; F551-F553 WeakPolarHBondContact O-CD2 3.26Å
552	H	86.8	Confident	80.8	Confident	41 Å²	41	58.1 Å²	58.1	19%	0.19	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	130.3	178.4	-44.5	69.2	0	0	0	109.6	L437 T537 P550	L437-H552 HydrophobicContact CB-CB 4.12Å; L437-H552 PolarHBondContact N-O 3.27Å; L437-H552 PolarHBondContact O-N 3Å; T537-H552 PolarHBondContact OG1-CD2 3.44Å; P550-H552 PolarHBondContact O-CE1 3Å; P550-H552 PolarHBondContact O-ND1 3.1Å; P550-H552 VanDerWaalsContact O-ND1 3.16Å
553	F	87.1	Confident	81.1	Confident	8 Å²	8	56.3 Å²	56.3	4%	0.035	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	142.1	-179.1	-64.3	-107	0	0	0	109.7	V436 L451 Y536 L538 F551 A555 H558 V559	V436-F553 HydrophobicContact CG1-CD1 4.45Å; V436-F553 HydrophobicContact CG1-CD2 4.45Å; V436-F553 HydrophobicContact CG1-CE1 4.24Å; V436-F553 HydrophobicContact CG1-CE2 4.23Å; V436-F553 HydrophobicContact CG1-CZ 4.13Å; V436-F553 HydrophobicContact CG2-CD1 3.97Å; V436-F553 HydrophobicContact CG2-CE1 3.81Å; V436-F553 HydrophobicContact CG2-CZ 4.45Å; L451-F553 HydrophobicContact CD2-CE1 4.01Å; L451-F553 HydrophobicContact CD2-CZ 3.61Å; Y536-F553 WeakPolarHBondContact CD2-O 3.3Å; Y536-F553 PolarHBondContact O-N 3.4Å; L538-F553 HydrophobicContact CB-CE2 4.06Å; F551-F553 HydrophobicContact CB-CD2 4.49Å; F551-F553 HydrophobicContact CB-CE2 3.79Å; F551-F553 HydrophobicContact CB-CZ 4.46Å; F551-F553 WeakPolarHBondContact O-CD2 3.26Å; F553-A555 PolarHBondContact O-N 3.47Å; F553-H558 HydrophobicContact CB-CB 4.44Å; F553-H558 HydrophobicContact CD1-CB 3.8Å; F553-V559 HydrophobicContact CB-CG2 3.73Å; F553-V559 HydrophobicContact CD1-CG2 4.21Å; F553-V559 HydrophobicContact CD2-CG2 3.59Å; F553-V559 HydrophobicContact CE2-CG2 4.18Å; F553-V559 HydrophobicContact CG-CG2 3.6Å
554	Y	80.5	Confident	81.4	Confident	156 Å²	156	55.4 Å²	55.4	61%	0.612	31%	0.305	S	S	*	.	S	Bend	trans	-75.8	-0.8	177.9	-67.3	-77	0	0	0	115.1	N435 L437	N435-Y554 HydrophobicContact CB-CE2 4.2Å; N435-Y554 WeakPolarHBondContact O-CD2 3.49Å; N435-Y554 VanDerWaalsContact O-CE2 3.23Å; N435-Y554 WeakPolarHBondContact O-CE2 3.41Å; L437-Y554 HydrophobicContact CD1-CE1 4.36Å; L437-Y554 HydrophobicContact CD1-CE2 4.42Å; L437-Y554 HydrophobicContact CG-CE2 4.33Å
555	A	80.2	Confident	82	Confident	25 Å²	25	52.8 Å²	52.8	21%	0.207	29%	0.293	C	S	.	.			trans	-159.5	139.7	175.6	0	0	0	0	0	112.2	Y536 F553 S557 H558	Y536-A555 VanDerWaalsContact CD2-C 3.49Å; Y536-A555 VanDerWaalsContact CD2-CA 3.49Å; F553-A555 PolarHBondContact O-N 3.47Å; A555-S557 PolarHBondContact O-N 2.72Å; A555-H558 WeakPolarHBondContact O-CB 3.34Å; A555-H558 PolarHBondContact O-N 3.14Å
556	Q	81.9	Confident	82.8	Confident	81 Å²	81	50.1 Å²	50.1	38%	0.379	27%	0.265	S	S	.	.	H	α-helix	trans	-48.3	-43.6	175.4	-149.9	-166.2	47.3	0	0	112.7	Y529 E531 Y536 H558 V559 L560	Y529-Q556 WeakPolarHBondContact OH-CG 3.38Å; E531-Q556 VanDerWaalsContact CD-NE2 3.33Å; E531-Q556 PolarHBondContact OE1-NE2 2.83Å; E531-Q556 VanDerWaalsContact OE1-NE2 3.09Å; E531-Q556 PolarHBondContact OE2-NE2 2.95Å; Y536-Q556 HydrophobicContact CD1-CB 3.73Å; Y536-Q556 HydrophobicContact CD1-CG 3.84Å; Y536-Q556 HydrophobicContact CE1-CB 3.44Å; Y536-Q556 VanDerWaalsContact CE1-CB 3.44Å; Y536-Q556 HydrophobicContact CE1-CG 3.72Å; Y536-Q556 HydrophobicContact CG-CB 4.4Å; Q556-H558 PolarHBondContact O-N 3.39Å; Q556-V559 PolarHBondContact O-N 3.33Å; Q556-L560 HydrophobicContact CG-CD1 4.3Å; Q556-L560 PolarHBondContact O-N 3.35Å
557	S	79.2	Confident	83.3	Confident	69 Å²	69	48.2 Å²	48.2	48%	0.483	25%	0.254	S	S	.	.	H	α-helix	trans	-60.6	-29.5	-179	59.2	0	0	0	0	113.4	A555 T561	A555-S557 PolarHBondContact O-N 2.72Å; S557-T561 VanDerWaalsContact O-CB 3.29Å; S557-T561 WeakPolarHBondContact O-CB 3.47Å; S557-T561 PolarHBondContact O-N 3.35Å; S557-T561 PolarHBondContact O-OG1 3.27Å
558	H	84.9	Confident	83.4	Confident	50 Å²	50	47 Å²	47	23%	0.231	25%	0.248	C	C	.	.	H	α-helix	trans	-70.3	-35.1	175.2	-59.5	139.2	0	0	0	112	Y431 K433 F553 A555 Q556 F562	Y431-H558 PolarHBondContact OH-O 2.78Å; K433-H558 WeakPolarHBondContact CE-NE2 3.48Å; K433-H558 PolarHBondContact NZ-CD2 3.09Å; K433-H558 PolarHBondContact NZ-CE1 3.04Å; K433-H558 PolarHBondContact NZ-NE2 3.36Å; F553-H558 HydrophobicContact CB-CB 4.44Å; F553-H558 HydrophobicContact CD1-CB 3.8Å; A555-H558 WeakPolarHBondContact O-CB 3.34Å; A555-H558 PolarHBondContact O-N 3.14Å; Q556-H558 PolarHBondContact O-N 3.39Å; H558-F562 WeakPolarHBondContact O-CB 3.44Å; H558-F562 PolarHBondContact O-N 3.32Å
559	V	82.8	Confident	83.5	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-73.7	-46.8	176.9	-171.6	0	0	0	0	110.5	Y529 F553 Q556 T561 F562 L563	Y529-V559 HydrophobicContact CD2-CG1 3.79Å; Y529-V559 HydrophobicContact CE2-CB 4.17Å; Y529-V559 HydrophobicContact CE2-CG1 3.81Å; Y529-V559 HydrophobicContact CE2-CG2 4.13Å; F553-V559 HydrophobicContact CB-CG2 3.73Å; F553-V559 HydrophobicContact CD1-CG2 4.21Å; F553-V559 HydrophobicContact CD2-CG2 3.59Å; F553-V559 HydrophobicContact CE2-CG2 4.18Å; F553-V559 HydrophobicContact CG-CG2 3.6Å; Q556-V559 PolarHBondContact O-N 3.33Å; V559-T561 VanDerWaalsContact C-N 3.27Å; V559-T561 PolarHBondContact O-N 2.54Å; V559-F562 WeakPolarHBondContact O-CB 3.13Å; V559-F562 PolarHBondContact O-N 2.79Å; V559-L563 HydrophobicContact CG1-CD1 4.1Å; V559-L563 HydrophobicContact CG1-CG 4.34Å; V559-L563 WeakPolarHBondContact O-CG 3.33Å; V559-L563 PolarHBondContact O-N 3.25Å
560	L	83.1	Confident	83.4	Confident	95 Å²	95	44.5 Å²	44.5	50%	0.497	23%	0.231	S	C	.	.	H	α-helix	trans	-58.6	-40.2	174.5	-94.1	66	0	0	0	111.8	Q556 N564	Q556-L560 HydrophobicContact CG-CD1 4.3Å; Q556-L560 PolarHBondContact O-N 3.35Å; L560-N564 VanDerWaalsContact O-CB 3.23Å; L560-N564 WeakPolarHBondContact O-CB 3.47Å; L560-N564 PolarHBondContact O-N 3.46Å
561	T	82.5	Confident	83	Confident	73 Å²	73	48 Å²	48	45%	0.448	24%	0.242	S	C	.	.	H	α-helix	trans	-65.9	-40	174.7	-55.1	0	0	0	0	111.6	Y431 S557 V559 C565	Y431-T561 HydrophobicContact CD2-CG2 4.17Å; Y431-T561 HydrophobicContact CE2-CG2 3.91Å; S557-T561 VanDerWaalsContact O-CB 3.29Å; S557-T561 WeakPolarHBondContact O-CB 3.47Å; S557-T561 PolarHBondContact O-N 3.35Å; S557-T561 PolarHBondContact O-OG1 3.27Å; V559-T561 VanDerWaalsContact C-N 3.27Å; V559-T561 PolarHBondContact O-N 2.54Å; T561-C565 WeakPolarHBondContact O-CB 3.16Å; T561-C565 PolarHBondContact O-N 2.99Å; T561-C565 PolarHBondContact O-SG 3.05Å; T561-C565 VanDerWaalsContact O-SG 3.38Å
562	F	87.2	Confident	82	Confident	1 Å²	1	53.5 Å²	53.5	0%	0.004	27%	0.268	C	S	.	.	H	α-helix	trans	-61.9	-50.4	175.5	174.8	-97.6	0	0	0	111.9	Y431 L451 L453 L464 L538 H558 V559 N564 C565 L566	Y431-F562 AromaticContact CD1-CD2 3.74Å; Y431-F562 HydrophobicContact CD1-CD2 3.74Å; Y431-F562 HydrophobicContact CD2-CB 4.2Å; Y431-F562 HydrophobicContact CD2-CD2 4.44Å; Y431-F562 HydrophobicContact CE1-CB 4.24Å; Y431-F562 AromaticContact CE1-CD2 3.88Å; Y431-F562 HydrophobicContact CE1-CD2 3.88Å; Y431-F562 VanDerWaalsContact CE2-CA 3.48Å; Y431-F562 HydrophobicContact CE2-CB 3.75Å; Y431-F562 HydrophobicContact CG-CD2 4.03Å; L451-F562 HydrophobicContact CD2-CD2 4.15Å; L451-F562 HydrophobicContact CD2-CE2 4.1Å; L453-F562 HydrophobicContact CB-CE2 4.39Å; L453-F562 HydrophobicContact CD1-CE2 4.39Å; L464-F562 HydrophobicContact CD1-CE2 3.54Å; L464-F562 HydrophobicContact CD1-CZ 3.75Å; L464-F562 HydrophobicContact CD2-CZ 4.3Å; L538-F562 HydrophobicContact CD2-CD1 3.62Å; L538-F562 HydrophobicContact CD2-CE1 3.55Å; H558-F562 WeakPolarHBondContact O-CB 3.44Å; H558-F562 PolarHBondContact O-N 3.32Å; V559-F562 WeakPolarHBondContact O-CB 3.13Å; V559-F562 PolarHBondContact O-N 2.79Å; F562-N564 VanDerWaalsContact C-N 3.34Å; F562-N564 PolarHBondContact O-N 3.34Å; F562-C565 PolarHBondContact O-N 2.98Å; F562-L566 HydrophobicContact CE1-CD2 4.26Å; F562-L566 WeakPolarHBondContact O-CB 3.46Å; F562-L566 PolarHBondContact O-N 3.07Å
563	L	86.2	Confident	81.1	Confident	19 Å²	19	54.2 Å²	54.2	10%	0.099	27%	0.269	C	S	.	.	H	α-helix	trans	-62.4	-40.5	179.7	-68.1	174.2	0	0	0	111.5	V559 L566 E567 L577 Y703	V559-L563 HydrophobicContact CG1-CD1 4.1Å; V559-L563 HydrophobicContact CG1-CG 4.34Å; V559-L563 WeakPolarHBondContact O-CG 3.33Å; V559-L563 PolarHBondContact O-N 3.25Å; L563-L566 PolarHBondContact O-N 3.16Å; L563-E567 VanDerWaalsContact O-CB 3.31Å; L563-E567 WeakPolarHBondContact O-CB 3.48Å; L563-E567 PolarHBondContact O-N 3.47Å; L563-L577 HydrophobicContact CB-CD1 4.46Å; L563-L577 HydrophobicContact CD2-CD1 4.36Å; L563-Y703 HydrophobicContact CD1-CD2 4.38Å; L563-Y703 HydrophobicContact CD1-CE2 3.83Å
564	N	82.7	Confident	79.9	Confident	80 Å²	80	55.9 Å²	55.9	43%	0.428	29%	0.288	S	S	.	.	H	α-helix	trans	-65	-44.4	175.3	-171.5	5.2	0	0	0	112.2	L560 F562 L566 E567 Q568	L560-N564 VanDerWaalsContact O-CB 3.23Å; L560-N564 WeakPolarHBondContact O-CB 3.47Å; L560-N564 PolarHBondContact O-N 3.46Å; F562-N564 VanDerWaalsContact C-N 3.34Å; F562-N564 PolarHBondContact O-N 3.34Å; N564-L566 VanDerWaalsContact C-N 3.33Å; N564-L566 PolarHBondContact O-N 3.12Å; N564-E567 PolarHBondContact O-N 3.2Å; N564-Q568 WeakPolarHBondContact O-CB 3.42Å; N564-Q568 VanDerWaalsContact O-CG 3.32Å; N564-Q568 WeakPolarHBondContact O-CG 3.38Å; N564-Q568 PolarHBondContact O-N 3.13Å; N564-Q568 PolarHBondContact OD1-NE2 3.33Å
565	C	85.4	Confident	79.2	Confident	28 Å²	28	48.7 Å²	48.7	19%	0.189	26%	0.261	C	S	.	.	H	α-helix	trans	-62.7	-37.9	174	-74.7	0	0	0	0	112.7	L430 Y431 T561 F562 G569	L430-C565 PolarHBondContact O-SG 3.31Å; Y431-C565 HydrophobicContact CD2-CB 4.29Å; T561-C565 WeakPolarHBondContact O-CB 3.16Å; T561-C565 PolarHBondContact O-N 2.99Å; T561-C565 PolarHBondContact O-SG 3.05Å; T561-C565 VanDerWaalsContact O-SG 3.38Å; F562-C565 PolarHBondContact O-N 2.98Å; C565-G569 PolarHBondContact O-N 2.86Å; C565-G569 VanDerWaalsContact O-N 3.08Å
566	L	85.5	Confident	78.8	Confident	2 Å²	2	52.9 Å²	52.9	1%	0.01	27%	0.273	C	S	.	.	H	α-helix	trans	-65.8	-47.2	174.2	177.3	61.6	0	0	0	111.5	L453 M521 F562 L563 N564 Q568 G569 L570 L577	L453-L566 HydrophobicContact CD1-CD1 4.25Å; L453-L566 HydrophobicContact CD2-CB 4Å; L453-L566 HydrophobicContact CD2-CD1 4.1Å; M521-L566 HydrophobicContact CB-CD1 4.47Å; M521-L566 HydrophobicContact CE-CD1 3.85Å; M521-L566 HydrophobicContact CE-CD2 3.78Å; M521-L566 HydrophobicContact CE-CG 4.5Å; M521-L566 HydrophobicContact CG-CD1 4.17Å; F562-L566 HydrophobicContact CE1-CD2 4.26Å; F562-L566 WeakPolarHBondContact O-CB 3.46Å; F562-L566 PolarHBondContact O-N 3.07Å; L563-L566 PolarHBondContact O-N 3.16Å; N564-L566 VanDerWaalsContact C-N 3.33Å; N564-L566 PolarHBondContact O-N 3.12Å; L566-Q568 PolarHBondContact O-N 3.49Å; L566-G569 PolarHBondContact O-N 3.26Å; L566-G569 VanDerWaalsContact O-N 3.14Å; L566-L570 HydrophobicContact CD1-CD1 4.09Å; L566-L570 HydrophobicContact CD1-CG 4.23Å; L566-L570 HydrophobicContact CG-CD1 3.99Å; L566-L570 WeakPolarHBondContact O-CG 3.34Å; L566-L570 PolarHBondContact O-N 2.95Å; L566-L577 HydrophobicContact CD2-CD2 4.25Å
567	E	85.1	Confident	78.5	Confident	52 Å²	52	50.1 Å²	50.1	24%	0.243	26%	0.26	C	S	.	.	H	α-helix	trans	-61.8	-42.9	178.8	-160.4	-150.3	-165.8	0	0	111.5	L563 N564 G569 L570 K571 L577	L563-E567 VanDerWaalsContact O-CB 3.31Å; L563-E567 WeakPolarHBondContact O-CB 3.48Å; L563-E567 PolarHBondContact O-N 3.47Å; N564-E567 PolarHBondContact O-N 3.2Å; E567-G569 VanDerWaalsContact C-N 3.32Å; E567-G569 PolarHBondContact O-N 2.94Å; E567-L570 PolarHBondContact O-N 3.47Å; E567-K571 HydrophobicContact CG-CD 4.2Å; E567-K571 VanDerWaalsContact O-CB 3.3Å; E567-K571 WeakPolarHBondContact O-CB 3.35Å; E567-K571 VanDerWaalsContact O-CG 3.27Å; E567-K571 WeakPolarHBondContact O-CG 3.34Å; E567-K571 PolarHBondContact O-N 2.89Å; E567-K571 WeakPolarHBondContact OE1-CE 3.41Å; E567-K571 IonicContact OE1-NZ 3.11Å; E567-K571 PolarHBondContact OE1-NZ 3.41Å; E567-K571 WeakPolarHBondContact OE2-CE 3.43Å; E567-K571 IonicContact OE2-NZ 3.64Å; E567-K571 PolarHBondContact OE2-NZ 2.68Å; E567-L577 HydrophobicContact CB-CD1 3.94Å; E567-L577 HydrophobicContact CB-CG 4.22Å; E567-L577 HydrophobicContact CG-CB 4.41Å; E567-L577 HydrophobicContact CG-CD1 4.28Å; E567-L577 HydrophobicContact CG-CG 4.15Å
568	Q	80.5	Confident	77.9	Confident	104 Å²	104	47.9 Å²	47.9	49%	0.486	25%	0.245	S	C	.	.	H	α-helix	trans	-63.8	-35.1	174	-71.9	178.8	41.4	0	0	112.7	N564 L566 Q572	N564-Q568 WeakPolarHBondContact O-CB 3.42Å; N564-Q568 VanDerWaalsContact O-CG 3.32Å; N564-Q568 WeakPolarHBondContact O-CG 3.38Å; N564-Q568 PolarHBondContact O-N 3.13Å; N564-Q568 PolarHBondContact OD1-NE2 3.33Å; L566-Q568 PolarHBondContact O-N 3.49Å; Q568-Q572 PolarHBondContact O-N 2.74Å; Q568-Q572 PolarHBondContact O-NE2 2.87Å
569	G	80	Confident	76.6	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-66.8	-42.4	172.7	0	0	0	0	0	113	C565 L566 E567	C565-G569 PolarHBondContact O-N 2.86Å; C565-G569 VanDerWaalsContact O-N 3.08Å; L566-G569 PolarHBondContact O-N 3.26Å; L566-G569 VanDerWaalsContact O-N 3.14Å; E567-G569 VanDerWaalsContact C-N 3.32Å; E567-G569 PolarHBondContact O-N 2.94Å
570	L	78.8	Confident	74.6	Confident	7 Å²	7	52.6 Å²	52.6	4%	0.037	28%	0.281	C	S	.	.	H	α-helix	trans	-70.4	-40.8	177.7	-68.7	170.1	0	0	0	112.3	L566 E567 Q572 R573 G574 G575 L577 I705	L566-L570 HydrophobicContact CD1-CD1 4.09Å; L566-L570 HydrophobicContact CD1-CG 4.23Å; L566-L570 HydrophobicContact CG-CD1 3.99Å; L566-L570 WeakPolarHBondContact O-CG 3.34Å; L566-L570 PolarHBondContact O-N 2.95Å; E567-L570 PolarHBondContact O-N 3.47Å; L570-Q572 VanDerWaalsContact C-N 3.29Å; L570-Q572 PolarHBondContact O-N 3.32Å; L570-R573 CarbonylContact O-C 3.56Å; L570-R573 WeakPolarHBondContact O-CA 3.39Å; L570-R573 PolarHBondContact O-N 2.79Å; L570-G574 PolarHBondContact O-N 2.91Å; L570-G575 CarbonylContact C-O 3.03Å; L570-G575 VanDerWaalsContact C-O 3.24Å; L570-G575 PolarHBondContact O-N 2.79Å; L570-L577 HydrophobicContact CD1-CD2 3.74Å; L570-L577 HydrophobicContact CD1-CG 4.29Å; L570-I705 HydrophobicContact CD1-CG2 4.12Å
571	K	75.3	Confident	72.3	Confident	114 Å²	114	53.3 Å²	53.3	50%	0.496	29%	0.294	S	S	.	.	H	α-helix	trans	-57.7	-38	178.5	-83.1	171.9	173	168.6	0	112.8	E567 R573 G574 G575	E567-K571 HydrophobicContact CG-CD 4.2Å; E567-K571 VanDerWaalsContact O-CB 3.3Å; E567-K571 WeakPolarHBondContact O-CB 3.35Å; E567-K571 VanDerWaalsContact O-CG 3.27Å; E567-K571 WeakPolarHBondContact O-CG 3.34Å; E567-K571 PolarHBondContact O-N 2.89Å; E567-K571 WeakPolarHBondContact OE1-CE 3.41Å; E567-K571 IonicContact OE1-NZ 3.11Å; E567-K571 PolarHBondContact OE1-NZ 3.41Å; E567-K571 WeakPolarHBondContact OE2-CE 3.43Å; E567-K571 IonicContact OE2-NZ 3.64Å; E567-K571 PolarHBondContact OE2-NZ 2.68Å; K571-R573 PolarHBondContact O-N 3.17Å; K571-G574 PolarHBondContact O-N 3.44Å; K571-G575 WeakPolarHBondContact CA-O 3.46Å; K571-G575 PolarHBondContact N-O 3.34Å
572	Q	67.4	Low	69.9	Low	119 Å²	119	57 Å²	57	56%	0.556	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-9.4	174.6	-77	168	88.4	0	0	113.8	Q568 L570	Q568-Q572 PolarHBondContact O-N 2.74Å; Q568-Q572 PolarHBondContact O-NE2 2.87Å; L570-Q572 VanDerWaalsContact C-N 3.29Å; L570-Q572 PolarHBondContact O-N 3.32Å
573	R	66.9	Low	67.1	Low	56 Å²	56	64.9 Å²	64.9	21%	0.211	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-124.6	11	-178	-55.7	175	-172.5	-172.3	-6.3	113	D455 G459 K460 L461 I462 L570 K571 G575	D455-R573 IonicContact OD1-NH2 3.48Å; D455-R573 PolarHBondContact OD1-NH2 2.9Å; D455-R573 IonicContact OD2-CZ 2.69Å; D455-R573 IonicContact OD2-NE 3.14Å; D455-R573 IonicContact OD2-NH2 2.74Å; D455-R573 PolarHBondContact OD2-NH2 3.41Å; G459-R573 VanDerWaalsContact C-NH2 3.27Å; G459-R573 VanDerWaalsContact O-CZ 3.27Å; G459-R573 PolarHBondContact O-NE 2.63Å; G459-R573 PolarHBondContact O-NH2 2.88Å; K460-R573 VanDerWaalsContact C-CZ 3.49Å; K460-R573 VanDerWaalsContact C-NH1 3.29Å; K460-R573 PolarHBondContact O-NH1 2.82Å; L461-R573 VanDerWaalsContact C-NH2 3.26Å; L461-R573 PolarHBondContact O-NH2 3.24Å; I462-R573 VanDerWaalsContact N-NH1 3.1Å; L570-R573 CarbonylContact O-C 3.56Å; L570-R573 WeakPolarHBondContact O-CA 3.39Å; L570-R573 PolarHBondContact O-N 2.79Å; K571-R573 PolarHBondContact O-N 3.17Å; R573-G575 PolarHBondContact O-N 3.34Å
574	G	62.6	Low	64.2	Low	42 Å²	42	72.1 Å²	72.1	43%	0.433	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.1	18.6	-177.2	0	0	0	0	0	114.5	L570 K571	L570-G574 PolarHBondContact O-N 2.91Å; K571-G574 PolarHBondContact O-N 3.44Å
575	G	64.3	Low	61.5	Low	5 Å²	5	74.7 Å²	74.7	5%	0.052	41%	0.405	C	S	.	.			trans	-97.5	167.1	166.8	0	0	0	0	0	112.1	L570 K571 R573 V706	L570-G575 CarbonylContact C-O 3.03Å; L570-G575 VanDerWaalsContact C-O 3.24Å; L570-G575 PolarHBondContact O-N 2.79Å; K571-G575 WeakPolarHBondContact CA-O 3.46Å; K571-G575 PolarHBondContact N-O 3.34Å; R573-G575 PolarHBondContact O-N 3.34Å; G575-V706 CarbonylContact C-O 3.46Å; G575-V706 WeakPolarHBondContact CA-O 3.45Å
576	Y	73.5	Confident	58.4	Low	114 Å²	114	79 Å²	79	45%	0.447	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	169.3	-178.6	56.2	-92.8	0	0	0	111.9	S578 V706	Y576-S578 WeakPolarHBondContact CE2-OG 3.22Å; Y576-V706 HydrophobicContact CD1-CB 4.41Å; Y576-V706 HydrophobicContact CD2-CB 4.36Å; Y576-V706 HydrophobicContact CD2-CG2 4.28Å; Y576-V706 HydrophobicContact CE1-CB 4.22Å; Y576-V706 HydrophobicContact CE1-CG1 4.04Å; Y576-V706 HydrophobicContact CE2-CB 4.16Å; Y576-V706 HydrophobicContact CE2-CG2 3.78Å; Y576-V706 HydrophobicContact CG-CB 4.47Å; Y576-V706 PolarHBondContact N-O 3.45Å; Y576-V706 VanDerWaalsContact N-O 3.14Å; Y576-V706 PolarHBondContact O-N 3.1Å
577	L	74	Confident	55.6	Low	22 Å²	22	84.5 Å²	84.5	12%	0.115	47%	0.474	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	115.2	166.1	-59.3	-179.4	0	0	0	108.1	L563 L566 E567 L570 Q704 I705	L563-L577 HydrophobicContact CB-CD1 4.46Å; L563-L577 HydrophobicContact CD2-CD1 4.36Å; L566-L577 HydrophobicContact CD2-CD2 4.25Å; E567-L577 HydrophobicContact CB-CD1 3.94Å; E567-L577 HydrophobicContact CB-CG 4.22Å; E567-L577 HydrophobicContact CG-CB 4.41Å; E567-L577 HydrophobicContact CG-CD1 4.28Å; E567-L577 HydrophobicContact CG-CG 4.15Å; L570-L577 HydrophobicContact CD1-CD2 3.74Å; L570-L577 HydrophobicContact CD1-CG 4.29Å; L577-Q704 WeakPolarHBondContact CA-O 3.48Å; L577-I705 HydrophobicContact CD2-CB 4.36Å; L577-I705 HydrophobicContact CD2-CG1 3.54Å
578	S	67.1	Low	52.6	Low	22 Å²	22	87.5 Å²	87.5	15%	0.154	50%	0.501	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	130.6	169.2	22	0	0	0	0	109.1	Y576 S580 Y703 Q704	Y576-S578 WeakPolarHBondContact CE2-OG 3.22Å; S578-S580 PolarHBondContact O-N 3.35Å; S578-Y703 CarbonylContact O-C 3.49Å; S578-Y703 WeakPolarHBondContact O-CA 3.4Å; S578-Q704 PolarHBondContact N-O 3.4Å; S578-Q704 PolarHBondContact O-N 3.14Å; S578-Q704 PolarHBondContact OG-OE1 3Å
579	P	57.6	Low	50	Low	100 Å²	100	89.2 Å²	89.2	65%	0.649	52%	0.518	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-59.5	127.5	157.1	-15.3	29.8	0	0	0	107.7	S581	P579-S581 PolarHBondContact O-N 3.47Å
580	S	40.5	Very low	47.3	Very low	49 Å²	49	95.5 Å²	95.5	34%	0.343	56%	0.556	S	S	.	*	P	Polyproline II helix	trans	-70.7	116.9	173.4	-65.1	0	0	0	0	108.9	S578 V702	S578-S580 PolarHBondContact O-N 3.35Å; S580-V702 PolarHBondContact N-O 2.97Å
581	S	35.4	Very low	44.8	Very low	110 Å²	110	99.9 Å²	99.9	77%	0.769	59%	0.588	S	S	*	*	P	Polyproline II helix	trans	-61.8	154	164.5	51.5	0	0	0	0	110.2	P579	P579-S581 PolarHBondContact O-N 3.47Å
582	E	32.4	Very low	42.4	Very low	152 Å²	152	102.2 Å²	102.2	71%	0.71	61%	0.606	S	S	*	*	P	Polyproline II helix	trans	-56.3	150.1	-175.4	-64.7	163.2	154.1	0	0	112	D584	E582-D584 PolarHBondContact O-N 2.94Å
583	L	28.4	Very low	40.2	Very low	166 Å²	166	104.3 Å²	104.3	87%	0.869	61%	0.613	S	S	*	*	P	Polyproline II helix	trans	-66.6	121.6	174.1	-96	77.9	0	0	0	109.6	T585	L583-T585 PolarHBondContact O-N 3.48Å
584	D	24.7	Very low	38.1	Very low	171 Å²	171	107 Å²	107	91%	0.914	64%	0.641	S	S	*	*			trans	-55.2	101.8	169.2	-81.1	-56.2	0	0	0	110.9	E582	E582-D584 PolarHBondContact O-N 2.94Å
585	T	25.3	Very low	36.3	Very low	134 Å²	134	112.4 Å²	112.4	82%	0.822	66%	0.657	S	S	*	*			trans	-95.7	119.4	157.9	43.2	0	0	0	0	107.5	L583 S587	L583-T585 PolarHBondContact O-N 3.48Å; T585-S587 PolarHBondContact O-N 3.14Å
586	S	22.1	Very low	34.4	Very low	119 Å²	119	121.2 Å²	121.2	83%	0.832	69%	0.694	S	S	*	*	S	Bend	trans	-77.5	107.1	-161.1	48.1	0	0	0	0	113.7
587	S	25.8	Very low	32.1	Very low	117 Å²	117	121.2 Å²	121.2	82%	0.818	71%	0.71	S	S	*	*				-178.7	151.7	125.8	40.9	0	0	0	0	113.4	T585	T585-S587 PolarHBondContact O-N 3.14Å
588	S	21.8	Very low	29.8	Very low	115 Å²	115	130.8 Å²	130.8	80%	0.804	75%	0.746	S	S	*	*			trans	-65.5	139.3	-177.4	53.6	0	0	0	0	115
589	V	27.2	Very low	27.7	Very low	140 Å²	140	139.2 Å²	139.2	85%	0.848	78%	0.775	S	S	*	*				-155.9	151	120	141	0	0	0	0	109.2
590	T	23.2	Very low	26.1	Very low	131 Å²	131	141 Å²	141	80%	0.804	79%	0.787	S	S	*	*			trans	-82.3	131.7	-172.8	51.2	0	0	0	0	114.5
591	S	24.8	Very low	25.2	Very low	99 Å²	99	142.9 Å²	142.9	69%	0.692	80%	0.799	S	S	*	*				-179.8	137.6	124	53.4	0	0	0	0	114.6
592	N	24.7	Very low	24.7	Very low	163 Å²	163	145.9 Å²	145.9	87%	0.872	80%	0.803	S	S	*	*			trans	51.3	64.2	148.9	-60	-8.7	0	0	0	119.9
593	F	21.7	Very low	24.5	Very low	163 Å²	163	142.9 Å²	142.9	72%	0.715	80%	0.797	S	S	*	*			trans	-79.6	132.5	153.2	-100.1	-97.1	0	0	0	111.3	M595	F593-M595 HydrophobicContact CD1-CG 4.39Å; F593-M595 HydrophobicContact CE1-CE 4.5Å
594	S	23.9	Very low	24.3	Very low	114 Å²	114	142.9 Å²	142.9	80%	0.797	79%	0.79	S	S	*	*			trans	-138.9	78.7	165.6	-167.9	0	0	0	0	109.5	K596	S594-K596 PolarHBondContact O-N 2.94Å
595	M	24	Very low	24.2	Very low	155 Å²	155	141 Å²	141	76%	0.764	78%	0.779	S	S	*	*			trans	-68.4	122.9	172.3	-89.6	-164.2	173.2	0	0	110	F593 S597	F593-M595 HydrophobicContact CD1-CG 4.39Å; F593-M595 HydrophobicContact CE1-CE 4.5Å; M595-S597 PolarHBondContact O-N 3.37Å
596	K	23.5	Very low	24.2	Very low	190 Å²	190	144.4 Å²	144.4	83%	0.826	78%	0.783	S	S	*	*			trans	-70.2	113.8	177.8	-67.8	174.4	-179.1	171.3	0	110	S594 Y598	S594-K596 PolarHBondContact O-N 2.94Å; K596-Y598 PolarHBondContact O-N 3.3Å
597	S	26.8	Very low	24.3	Very low	113 Å²	113	141.9 Å²	141.9	79%	0.79	78%	0.776	S	S	*	*			trans	-71.3	111.1	172.2	46.5	0	0	0	0	110.9	M595 R599	M595-S597 PolarHBondContact O-N 3.37Å; S597-R599 PolarHBondContact O-N 2.82Å
598	Y	25.4	Very low	24.3	Very low	223 Å²	223	141.2 Å²	141.2	88%	0.875	76%	0.763	S	S	*	*			trans	-68	103.5	174.7	-100.5	-97.1	0	0	0	110.8	K596 P600	K596-Y598 PolarHBondContact O-N 3.3Å; Y598-P600 WeakPolarHBondContact O-CD 3.4Å
599	R	22.8	Very low	24.5	Very low	199 Å²	199	147.1 Å²	147.1	75%	0.751	77%	0.768	S	S	*	*			trans	-78.2	124.7	160.1	-77.3	-173.8	171	-154.9	-3.3	109.4	S597 S601	S597-R599 PolarHBondContact O-N 2.82Å; R599-S601 PolarHBondContact O-N 2.84Å
600	P	23.8	Very low	24.5	Very low	139 Å²	139	144.2 Å²	144.2	90%	0.903	75%	0.747	S	S	*	*			trans	-75	76.4	163.2	31.6	-33.2	0	0	0	109.4	Y598	Y598-P600 WeakPolarHBondContact O-CD 3.4Å
601	S	22.5	Very low	24.6	Very low	87 Å²	87	141 Å²	141	61%	0.608	73%	0.73	S	S	*	*			trans	-121.8	101.7	172.7	57.5	0	0	0	0	111	R599	R599-S601 PolarHBondContact O-N 2.84Å
602	M	23	Very low	24.6	Very low	173 Å²	173	142.1 Å²	142.1	85%	0.852	73%	0.727	S	S	*	*			trans	-52.2	160.7	150	-90.9	-74.1	-150.6	0	0	110.6
603	P	29.3	Very low	24.5	Very low	89 Å²	89	141.4 Å²	141.4	58%	0.578	72%	0.723	S	S	*	*			cis	-136.6	-173.7	4.3	20.6	6.4	0	0	0	115.4
604	F	24.1	Very low	25.1	Very low	166 Å²	166	138.4 Å²	138.4	73%	0.728	72%	0.72	S	S	*	*			trans	90.3	110.9	148.4	-68.7	-52.6	0	0	0	122.2
605	I	22.7	Very low	25.1	Very low	131 Å²	131	140.6 Å²	140.6	67%	0.672	72%	0.722	S	S	*	*			trans	49.5	106.8	137.1	-25.8	169.7	0	0	0	118.6
606	F	25.8	Very low	25.1	Very low	206 Å²	206	137.5 Å²	137.5	90%	0.904	72%	0.715	S	S	*	*				-162	166.3	92.4	-115.9	-80.8	0	0	0	113
607	G	24.3	Very low	25.2	Very low	67 Å²	67	136 Å²	136	69%	0.691	72%	0.715	S	S	*	*			trans	-68.8	156	-162.9	0	0	0	0	0	115.9
608	N	24.6	Very low	25.1	Very low	102 Å²	102	134.9 Å²	134.9	55%	0.545	71%	0.707	S	S	.	*			trans	-64.7	150.7	168	-167.4	30.5	0	0	0	111.3	N610 D1160	N608-N610 PolarHBondContact ND2-OD1 3.46Å; N608-D1160 PolarHBondContact ND2-OD1 2.9Å; N608-D1160 VanDerWaalsContact ND2-OD1 3.14Å; N608-D1160 PolarHBondContact ND2-OD2 3.32Å
609	R	26.8	Very low	25.2	Very low	240 Å²	240	130.5 Å²	130.5	91%	0.906	70%	0.704	S	S	*	*			trans	-142.3	102.5	153.2	-88.7	-164.8	174.3	-170.9	-1.3	108.5
610	N	27.6	Very low	25.3	Very low	79 Å²	79	125.6 Å²	125.6	42%	0.422	70%	0.7	S	S	.	*			trans	-56.2	157.9	158.8	-75.6	0	0	0	0	110.7	N608 D1160	N608-N610 PolarHBondContact ND2-OD1 3.46Å; N610-D1160 WeakPolarHBondContact CB-OD1 3.49Å; N610-D1160 WeakPolarHBondContact ND2-CB 3.35Å; N610-D1160 PolarHBondContact ND2-O 3.28Å; N610-D1160 PolarHBondContact ND2-OD1 2.98Å
611	S	24.3	Very low	25.4	Very low	63 Å²	63	125 Å²	125	44%	0.441	69%	0.694	S	S	.	*			cis	-170.9	-165.9	-15	55.3	0	0	0	0	108.3	I1163	S611-I1163 WeakPolarHBondContact O-CD1 3.48Å
612	L	24.3	Very low	25.8	Very low	122 Å²	122	126.2 Å²	126.2	64%	0.639	70%	0.697	S	S	*	*			trans	38.7	120.5	156.5	-53.8	174.9	0	0	0	120.2	I1163	L612-I1163 HydrophobicContact CB-CD1 4.3Å
613	L	24	Very low	26.1	Very low	149 Å²	149	124.6 Å²	124.6	78%	0.78	69%	0.692	S	S	*	*				69.5	153	64	-70.3	-177.2	0	0	0	115.3
614	P	33.1	Very low	26.2	Very low	100 Å²	100	126.1 Å²	126.1	65%	0.649	70%	0.696	S	S	*	*			cis	-141.9	-165.1	-11.9	32.7	-8.2	0	0	0	116
615	L	23.7	Very low	26.6	Very low	160 Å²	160	124 Å²	124	84%	0.838	69%	0.692	S	S	*	*			trans	77.9	159.6	158	-59.3	162.6	0	0	0	119.6
616	S	24	Very low	26.9	Very low	89 Å²	89	123 Å²	123	62%	0.622	69%	0.688	S	S	*	*				-177.4	-168.7	-66.1	58.6	0	0	0	0	110.4
617	I	27.6	Very low	27.1	Very low	159 Å²	159	121.6 Å²	121.6	82%	0.815	68%	0.681	S	S	*	*			trans	87.3	143.3	174.9	-54.6	167.1	0	0	0	115.5
618	S	24.1	Very low	27.2	Very low	89 Å²	89	123.5 Å²	123.5	62%	0.622	68%	0.68	S	S	*	*				-172.9	178	-67.9	56.4	0	0	0	0	112.2
619	T	26.4	Very low	27.3	Very low	132 Å²	132	125.4 Å²	125.4	81%	0.81	69%	0.69	S	S	*	*			trans	78.9	146.4	168.9	71.1	0	0	0	0	119.5
620	S	24.8	Very low	27.3	Very low	95 Å²	95	118.9 Å²	118.9	66%	0.664	68%	0.681	S	S	*	*			cis	-171	166.7	-22.7	57.2	0	0	0	0	114
621	T	25.8	Very low	27.1	Very low	128 Å²	128	119.9 Å²	119.9	79%	0.785	70%	0.695	S	S	*	*			trans	69.1	149.3	149.5	39.8	0	0	0	0	120.5
622	T	31.5	Very low	27.2	Very low	111 Å²	111	123.9 Å²	123.9	68%	0.681	71%	0.709	S	S	*	*			cis	-147.9	150.1	7.7	49.3	0	0	0	0	114.4
623	N	29.5	Very low	27.3	Very low	139 Å²	139	125.2 Å²	125.2	74%	0.743	72%	0.715	S	S	*	*			trans	51.2	147.7	135.6	-57.1	11.8	0	0	0	121.8
624	N	31.9	Very low	27.3	Very low	122 Å²	122	122.7 Å²	122.7	65%	0.652	71%	0.711	S	S	*	*			cis	-160	-165	3.5	-120.7	35.6	0	0	0	109.1
625	D	31.3	Very low	26.9	Very low	122 Å²	122	123 Å²	123	65%	0.652	72%	0.715	S	S	*	*			cis	-147.1	-118.5	10.6	-144.5	-58.8	0	0	0	115.1
626	N	29.2	Very low	27.1	Very low	109 Å²	109	124.2 Å²	124.2	58%	0.583	72%	0.716	S	S	*	*			trans	-151.1	155.1	-156.6	-88.4	-87.6	0	0	0	119.5
627	K	29.8	Very low	27	Very low	176 Å²	176	127 Å²	127	77%	0.765	72%	0.724	S	S	*	*			trans	73.9	154	137.3	-78.1	167.4	-168.7	170.4	0	122.8
628	T	26.6	Very low	26.9	Very low	107 Å²	107	129.4 Å²	129.4	66%	0.656	73%	0.729	S	S	*	*			cis	-172.7	162.1	-28.5	22.6	0	0	0	0	111.3
629	N	27.4	Very low	26.8	Very low	142 Å²	142	129.8 Å²	129.8	76%	0.759	73%	0.732	S	S	*	*			trans	71.6	117.5	155.7	-64.2	-0.9	0	0	0	118.6
630	S	26.3	Very low	26.6	Very low	104 Å²	104	128.3 Å²	128.3	73%	0.727	73%	0.727	S	S	*	*				78.8	136.2	67.3	77.9	0	0	0	0	115.2
631	S	23.9	Very low	26.7	Very low	100 Å²	100	130.3 Å²	130.3	70%	0.699	73%	0.729	S	S	*	*			cis	-174.9	-174	-5.5	51.4	0	0	0	0	110.9
632	I	25.8	Very low	26.8	Very low	146 Å²	146	133.8 Å²	133.8	75%	0.749	73%	0.729	S	S	*	*			trans	92.7	119.6	152	-74.7	168.6	0	0	0	122.1
633	I	27	Very low	26.5	Very low	150 Å²	150	134.6 Å²	134.6	77%	0.769	73%	0.729	S	S	*	*			trans	89.5	107.8	146.5	-77.9	171.2	0	0	0	124.8
634	S	24.6	Very low	26.3	Very low	97 Å²	97	136.6 Å²	136.6	68%	0.678	73%	0.731	S	S	*	*			trans	58.7	107.1	136.2	82	0	0	0	0	125.8
635	S	24.3	Very low	26.2	Very low	106 Å²	106	136 Å²	136	74%	0.741	73%	0.733	S	S	*	*				24.6	134.5	122.2	64.6	0	0	0	0	122.8
636	Q	27.4	Very low	25.8	Very low	186 Å²	186	135.1 Å²	135.1	87%	0.869	74%	0.737	S	S	*	*				-163	171.2	106.7	-109.5	-172.9	21.3	0	0	113.6
637	N	22.7	Very low	25.7	Very low	146 Å²	146	139.4 Å²	139.4	78%	0.781	75%	0.751	S	S	*	*			trans	-76.3	161	-172.2	-52.6	-48.5	0	0	0	113.7
638	F	25.2	Very low	25.4	Very low	211 Å²	211	135.8 Å²	135.8	93%	0.925	75%	0.748	S	S	*	*				-154	156.2	124.1	-116.7	-76	0	0	0	111.7
639	S	21.4	Very low	25.2	Very low	97 Å²	97	138.3 Å²	138.3	68%	0.678	76%	0.757	S	S	*	*			trans	-123.6	160.8	-177.1	57.7	0	0	0	0	111.8
640	S	22.6	Very low	25.2	Very low	100 Å²	100	140.9 Å²	140.9	70%	0.699	76%	0.764	S	S	*	*			trans	149.4	156.8	135.1	61.2	0	0	0	0	113.7
641	I	26.6	Very low	25.1	Very low	138 Å²	138	140.8 Å²	140.8	71%	0.708	76%	0.764	S	S	*	*			trans	64.2	113.5	155.7	-66.1	157.4	0	0	0	114.6
642	Y	27.5	Very low	25.4	Very low	201 Å²	201	144.5 Å²	144.5	79%	0.788	78%	0.775	S	S	*	*			cis	-161.7	167.2	24.4	-111.3	-28.9	0	0	0	109.5
643	D	25.8	Very low	25.5	Very low	127 Å²	127	142.2 Å²	142.2	68%	0.679	77%	0.768	S	S	*	*			cis	-157.5	-169	-12.2	-155.1	-4.3	0	0	0	110.8
644	K	25.3	Very low	25.8	Very low	181 Å²	181	140.4 Å²	140.4	79%	0.787	77%	0.768	S	S	*	*			trans	-131.6	-175.6	167.9	-100.2	176.4	179.5	174.1	0	108.2
645	P	29.9	Very low	26.2	Very low	109 Å²	109	139 Å²	139	71%	0.708	76%	0.759	S	S	*	*			cis	-144.7	168.4	17.1	44.9	-25.8	0	0	0	118.9
646	S	22	Very low	26.7	Very low	105 Å²	105	136 Å²	136	73%	0.734	74%	0.744	S	S	*	*			trans	31.8	126.7	143.8	66.8	0	0	0	0	123.3
647	K	27.4	Very low	27.1	Very low	199 Å²	199	131.9 Å²	131.9	87%	0.865	73%	0.728	S	S	*	*				-161.8	138.4	128.5	-116.2	169.2	-173.8	174.5	0	114.7
648	S	23.5	Very low	27.7	Very low	100 Å²	100	132.5 Å²	132.5	70%	0.699	72%	0.724	S	S	*	*			trans	43.4	112.2	154	58.1	0	0	0	0	122.1
649	N	22.9	Very low	28.4	Very low	159 Å²	159	129.1 Å²	129.1	85%	0.85	71%	0.711	S	S	*	*				34	115.3	128	-55.3	-2	0	0	0	120.2
650	Q	27.3	Very low	29.3	Very low	196 Å²	196	133.8 Å²	133.8	92%	0.916	71%	0.713	S	S	*	*			trans	-151.6	135.5	130.5	-116.2	170.7	40.8	0	0	111
651	S	24.1	Very low	30.1	Very low	103 Å²	103	131.9 Å²	131.9	72%	0.72	70%	0.695	S	S	*	*	P	Polyproline II helix	trans	-84.1	129.5	177.2	40.8	0	0	0	0	110.7	T653	S651-T653 PolarHBondContact O-N 3.2Å
652	L	29.2	Very low	30.7	Very low	177 Å²	177	132.6 Å²	132.6	93%	0.927	69%	0.69	S	S	*	*	P	Polyproline II helix	trans	-68.8	123.6	166.3	-86.8	77.9	0	0	0	108.6
653	T	29.4	Very low	31.5	Very low	99 Å²	99	128.2 Å²	128.2	61%	0.607	68%	0.678	S	S	*	*	P	Polyproline II helix	trans	-89.2	157	-179.5	55.9	0	0	0	0	111.3	S651 S655	S651-T653 PolarHBondContact O-N 3.2Å; T653-S655 PolarHBondContact O-N 2.93Å; T653-S655 PolarHBondContact OG1-OG 3.43Å
654	S	32.1	Very low	32	Very low	111 Å²	111	127 Å²	127	78%	0.776	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.8	12.2	-174.2	53.5	0	0	0	0	115.7
655	S	34.2	Very low	32.6	Very low	68 Å²	68	122.5 Å²	122.5	48%	0.476	66%	0.655	S	S	.	*	H	α-helix	trans	-77.3	-43.5	178	53.8	0	0	0	0	112.8	T653 L657 K658 Q659	T653-S655 PolarHBondContact O-N 2.93Å; T653-S655 PolarHBondContact OG1-OG 3.43Å; S655-L657 VanDerWaalsContact C-N 3.32Å; S655-L657 PolarHBondContact O-N 2.75Å; S655-K658 PolarHBondContact O-N 3.09Å; S655-K658 VanDerWaalsContact O-N 3.16Å; S655-Q659 PolarHBondContact O-N 3.03Å
656	G	34.6	Very low	32.8	Very low	42 Å²	42	120.6 Å²	120.6	43%	0.433	64%	0.638	S	S	.	*	H	α-helix	trans	-62.5	-34.5	-172.3	0	0	0	0	0	114.2	R660	G656-R660 PolarHBondContact O-N 3.22Å
657	L	35.8	Very low	33.6	Very low	101 Å²	101	122.9 Å²	122.9	53%	0.529	64%	0.635	S	S	.	*	H	α-helix	trans	-68.1	-40.3	177.9	-145.4	79	0	0	0	111.5	S655 R660 I661	S655-L657 VanDerWaalsContact C-N 3.32Å; S655-L657 PolarHBondContact O-N 2.75Å; L657-R660 PolarHBondContact O-N 2.84Å; L657-I661 HydrophobicContact CD2-CD1 4.49Å; L657-I661 HydrophobicContact CG-CD1 4.37Å; L657-I661 WeakPolarHBondContact O-CD1 3.15Å; L657-I661 VanDerWaalsContact O-CG1 3.31Å; L657-I661 WeakPolarHBondContact O-CG1 3.3Å; L657-I661 PolarHBondContact O-N 3.47Å
658	K	35.4	Very low	33.8	Very low	159 Å²	159	117.2 Å²	117.2	69%	0.691	63%	0.625	S	S	*	*	H	α-helix	trans	-63.6	-44.1	177.5	-75	-176.3	175.9	178.1	0	111.9	S655 R660 I661 Y662	S655-K658 PolarHBondContact O-N 3.09Å; S655-K658 VanDerWaalsContact O-N 3.16Å; K658-R660 VanDerWaalsContact C-N 3.35Å; K658-R660 PolarHBondContact O-N 3.21Å; K658-I661 PolarHBondContact O-N 2.84Å; K658-Y662 VanDerWaalsContact O-CB 3.29Å; K658-Y662 WeakPolarHBondContact O-CB 3.25Å; K658-Y662 PolarHBondContact O-N 2.92Å
659	Q	38.4	Very low	34.1	Very low	140 Å²	140	118.6 Å²	118.6	65%	0.654	62%	0.619	S	S	*	*	H	α-helix	trans	-62.3	-40.6	175.7	-97	177.2	-27	0	0	112.3	S655 Y662 M663	S655-Q659 PolarHBondContact O-N 3.03Å; Q659-Y662 PolarHBondContact O-N 3.47Å; Q659-M663 WeakPolarHBondContact O-CB 3.31Å; Q659-M663 VanDerWaalsContact O-CG 3.28Å; Q659-M663 WeakPolarHBondContact O-CG 3.49Å; Q659-M663 PolarHBondContact O-N 3.18Å
660	R	41.5	Very low	34.4	Very low	194 Å²	194	117 Å²	117	73%	0.732	61%	0.61	S	S	*	*	H	α-helix	trans	-68.2	-36.5	179.1	-151.3	170.5	-172.1	174.8	1	112.5	G656 L657 K658 N664	G656-R660 PolarHBondContact O-N 3.22Å; L657-R660 PolarHBondContact O-N 2.84Å; K658-R660 VanDerWaalsContact C-N 3.35Å; K658-R660 PolarHBondContact O-N 3.21Å; R660-N664 WeakPolarHBondContact O-CB 3.45Å; R660-N664 VanDerWaalsContact O-CG 3.26Å; R660-N664 PolarHBondContact O-N 2.95Å; R660-N664 VanDerWaalsContact O-N 3.15Å
661	I	39.6	Very low	34.5	Very low	61 Å²	61	115.9 Å²	115.9	31%	0.313	61%	0.605	S	S	.	*	H	α-helix	trans	-66.7	-46.6	171.8	-67.9	161.4	0	0	0	110.7	L657 K658 M663 N664 I665 I766	L657-I661 HydrophobicContact CD2-CD1 4.49Å; L657-I661 HydrophobicContact CG-CD1 4.37Å; L657-I661 WeakPolarHBondContact O-CD1 3.15Å; L657-I661 VanDerWaalsContact O-CG1 3.31Å; L657-I661 WeakPolarHBondContact O-CG1 3.3Å; L657-I661 PolarHBondContact O-N 3.47Å; K658-I661 PolarHBondContact O-N 2.84Å; I661-M663 PolarHBondContact O-N 3.07Å; I661-N664 PolarHBondContact O-N 3.3Å; I661-I665 HydrophobicContact CG2-CD1 3.82Å; I661-I665 HydrophobicContact CG2-CG1 4.5Å; I661-I665 WeakPolarHBondContact O-CG1 3.49Å; I661-I665 PolarHBondContact O-N 3.18Å; I661-I766 HydrophobicContact CD1-CD1 3.67Å
662	Y	38.6	Very low	34.6	Very low	153 Å²	153	116 Å²	116	60%	0.6	60%	0.601	S	S	*	*	H	α-helix	trans	-62.7	-42.2	-179.6	-167.5	-105.2	0	0	0	112.4	K658 Q659 I665 L666	K658-Y662 VanDerWaalsContact O-CB 3.29Å; K658-Y662 WeakPolarHBondContact O-CB 3.25Å; K658-Y662 PolarHBondContact O-N 2.92Å; Q659-Y662 PolarHBondContact O-N 3.47Å; Y662-I665 PolarHBondContact O-N 3.5Å; Y662-L666 HydrophobicContact CD1-CD1 3.79Å; Y662-L666 HydrophobicContact CE1-CD1 3.65Å; Y662-L666 HydrophobicContact CE1-CG 4.43Å; Y662-L666 PolarHBondContact O-N 3Å
663	M	43.6	Very low	34.3	Very low	109 Å²	109	114.8 Å²	114.8	54%	0.537	60%	0.595	S	S	.	*	H	α-helix	trans	-67.5	-33.2	174.9	-69.3	-64.9	-75.4	0	0	112.9	Q659 I661 L666 K667	Q659-M663 WeakPolarHBondContact O-CB 3.31Å; Q659-M663 VanDerWaalsContact O-CG 3.28Å; Q659-M663 WeakPolarHBondContact O-CG 3.49Å; Q659-M663 PolarHBondContact O-N 3.18Å; I661-M663 PolarHBondContact O-N 3.07Å; M663-L666 HydrophobicContact SD-CD1 4.22Å; M663-K667 WeakPolarHBondContact O-CG 3.43Å; M663-K667 PolarHBondContact O-N 3.24Å
664	N	38	Very low	34.1	Very low	102 Å²	102	117 Å²	117	55%	0.545	60%	0.604	S	S	.	*	H	α-helix	trans	-72.5	-33.2	173.6	-75.3	-2.7	0	0	0	112.3	R660 I661 A668	R660-N664 WeakPolarHBondContact O-CB 3.45Å; R660-N664 VanDerWaalsContact O-CG 3.26Å; R660-N664 PolarHBondContact O-N 2.95Å; R660-N664 VanDerWaalsContact O-N 3.15Å; I661-N664 PolarHBondContact O-N 3.3Å; N664-A668 PolarHBondContact O-N 3.18Å; N664-A668 VanDerWaalsContact O-N 3.12Å
665	I	36.4	Very low	33.9	Very low	86 Å²	86	118.6 Å²	118.6	44%	0.441	60%	0.602	S	S	.	*	H	α-helix	trans	-65.8	-47	171	-69.4	166.8	0	0	0	110	I661 Y662 K667 A668 F669	I661-I665 HydrophobicContact CG2-CD1 3.82Å; I661-I665 HydrophobicContact CG2-CG1 4.5Å; I661-I665 WeakPolarHBondContact O-CG1 3.49Å; I661-I665 PolarHBondContact O-N 3.18Å; Y662-I665 PolarHBondContact O-N 3.5Å; I665-K667 VanDerWaalsContact C-N 3.33Å; I665-K667 PolarHBondContact O-N 3.27Å; I665-A668 CarbonylContact O-C 3.3Å; I665-A668 WeakPolarHBondContact O-CA 3.47Å; I665-A668 WeakPolarHBondContact O-CB 3.4Å; I665-A668 PolarHBondContact O-N 2.76Å; I665-F669 HydrophobicContact CG2-CD2 3.83Å; I665-F669 HydrophobicContact CG2-CE2 3.96Å; I665-F669 WeakPolarHBondContact O-CD2 2.87Å; I665-F669 PolarHBondContact O-N 2.91Å
666	L	34.7	Very low	33.3	Very low	69 Å²	69	120 Å²	120	36%	0.361	61%	0.612	S	S	.	*	H	α-helix	trans	-59.2	-41	175.1	-76.4	167.3	0	0	0	112.5	Y662 M663 A668 F669 N670	Y662-L666 HydrophobicContact CD1-CD1 3.79Å; Y662-L666 HydrophobicContact CE1-CD1 3.65Å; Y662-L666 HydrophobicContact CE1-CG 4.43Å; Y662-L666 PolarHBondContact O-N 3Å; M663-L666 HydrophobicContact SD-CD1 4.22Å; L666-A668 VanDerWaalsContact C-N 3.26Å; L666-A668 PolarHBondContact O-N 3.2Å; L666-F669 PolarHBondContact O-N 3.38Å; L666-F669 VanDerWaalsContact O-N 3.16Å; L666-N670 PolarHBondContact O-N 2.85Å; L666-N670 PolarHBondContact O-OD1 3.01Å
667	K	38.6	Very low	32.9	Very low	153 Å²	153	124.2 Å²	124.2	67%	0.665	62%	0.624	S	S	*	*	H	α-helix	trans	-64.1	-26.9	173.1	-78.1	-171.8	173.1	-164.9	0	114	M663 I665	M663-K667 WeakPolarHBondContact O-CG 3.43Å; M663-K667 PolarHBondContact O-N 3.24Å; I665-K667 VanDerWaalsContact C-N 3.33Å; I665-K667 PolarHBondContact O-N 3.27Å
668	A	32.3	Very low	32.2	Very low	79 Å²	79	127 Å²	127	65%	0.653	64%	0.635	S	S	*	*	H	α-helix	trans	-81.9	-24.1	173.6	0	0	0	0	0	113.1	N664 I665 L666	N664-A668 PolarHBondContact O-N 3.18Å; N664-A668 VanDerWaalsContact O-N 3.12Å; I665-A668 CarbonylContact O-C 3.3Å; I665-A668 WeakPolarHBondContact O-CA 3.47Å; I665-A668 WeakPolarHBondContact O-CB 3.4Å; I665-A668 PolarHBondContact O-N 2.76Å; L666-A668 VanDerWaalsContact C-N 3.26Å; L666-A668 PolarHBondContact O-N 3.2Å
669	F	30.2	Very low	31.6	Very low	130 Å²	130	127.8 Å²	127.8	57%	0.57	64%	0.641	S	S	*	*	H	α-helix	trans	-82.1	-24.6	174.8	-93.6	-87	0	0	0	113.6	I665 L666 H671 F773	I665-F669 HydrophobicContact CG2-CD2 3.83Å; I665-F669 HydrophobicContact CG2-CE2 3.96Å; I665-F669 WeakPolarHBondContact O-CD2 2.87Å; I665-F669 PolarHBondContact O-N 2.91Å; L666-F669 PolarHBondContact O-N 3.38Å; L666-F669 VanDerWaalsContact O-N 3.16Å; F669-H671 VanDerWaalsContact C-N 3.3Å; F669-H671 PolarHBondContact O-N 3.41Å; F669-F773 HydrophobicContact CZ-CZ 4.4Å
670	N	29.3	Very low	30.9	Very low	124 Å²	124	129.4 Å²	129.4	66%	0.663	65%	0.649	S	S	*	*	S	Bend	trans	-88.8	25.8	-177.8	-69.8	15.2	0	0	0	114.4	L666	L666-N670 PolarHBondContact O-N 2.85Å; L666-N670 PolarHBondContact O-OD1 3.01Å
671	H	28.7	Very low	30.1	Very low	174 Å²	174	128.5 Å²	128.5	81%	0.806	66%	0.657	S	S	*	*			trans	-126.1	54.7	174.3	-94	-57.4	0	0	0	112.2	F669	F669-H671 VanDerWaalsContact C-N 3.3Å; F669-H671 PolarHBondContact O-N 3.41Å
672	T	25.7	Very low	29.2	Very low	104 Å²	104	134.4 Å²	134.4	64%	0.638	68%	0.684	S	S	*	*	S	Bend	trans	-132.8	145.7	152.1	47.4	0	0	0	0	108
673	D	23.8	Very low	28.5	Very low	152 Å²	152	132.9 Å²	132.9	81%	0.813	69%	0.69	S	S	*	*			trans	66.1	81.5	176.1	-49	-21.4	0	0	0	114.7
674	D	25.2	Very low	27.4	Very low	147 Å²	147	131.4 Å²	131.4	79%	0.786	69%	0.691	S	S	*	*				-160	134.7	120.4	-110.4	-19.7	0	0	0	114.6
675	I	27.6	Very low	26.7	Very low	143 Å²	143	136.8 Å²	136.8	73%	0.733	71%	0.705	S	S	*	*			trans	54.3	119.5	145.1	-62.5	161.8	0	0	0	120.2
676	S	20.8	Very low	26	Very low	98 Å²	98	137.8 Å²	137.8	69%	0.685	72%	0.719	S	S	*	*			trans	-70	137	156.7	49.9	0	0	0	0	112.1
677	N	25.9	Very low	25.7	Very low	130 Å²	130	140 Å²	140	70%	0.695	74%	0.74	S	S	*	*			trans	-177.7	149.4	133.9	-98.2	15.9	0	0	0	112.5
678	E	22.9	Very low	25	Very low	160 Å²	160	138.8 Å²	138.8	75%	0.748	75%	0.748	S	S	*	*				11.1	146.7	129.2	-65.9	163.1	-178.7	0	0	119.4
679	E	22.5	Very low	24.6	Very low	175 Å²	175	141.4 Å²	141.4	82%	0.818	76%	0.756	S	S	*	*			cis	-164.1	-163	-18.7	-148	175.4	-170.3	0	0	108.1
680	E	22.3	Very low	24.3	Very low	175 Å²	175	141.3 Å²	141.3	82%	0.818	77%	0.766	S	S	*	*			trans	42.9	109	163.4	-63.7	-161.7	126.5	0	0	120.4
681	L	24.9	Very low	23.9	Very low	174 Å²	174	140.6 Å²	140.6	91%	0.911	77%	0.77	S	S	*	*				-155.2	84.7	127.9	-115.6	168.8	0	0	0	110.9
682	Q	20.7	Very low	23.5	Very low	186 Å²	186	139.5 Å²	139.5	87%	0.869	77%	0.768	S	S	*	*			trans	-99.6	121.8	172	-72.8	-169.9	3.1	0	0	111.9
683	T	24.7	Very low	23.5	Very low	120 Å²	120	139.8 Å²	139.8	74%	0.736	77%	0.772	S	S	*	*			trans	-161.7	120.7	146.9	37.5	0	0	0	0	106.1
684	S	20.7	Very low	23.5	Very low	79 Å²	79	140.3 Å²	140.3	55%	0.552	77%	0.769	S	S	*	*			cis	58.4	137.4	46.3	82.8	0	0	0	0	112.5
685	Y	22	Very low	23.4	Very low	215 Å²	215	142.8 Å²	142.8	84%	0.843	78%	0.776	S	S	*	*			cis	-144.3	168	12.3	-70.9	-84.7	0	0	0	108.7
686	S	22.1	Very low	23.4	Very low	106 Å²	106	144.2 Å²	144.2	74%	0.741	78%	0.78	S	S	*	*			cis	-170.7	-175.5	-16.9	54.7	0	0	0	0	108.8
687	S	28.9	Very low	23.6	Very low	115 Å²	115	144.7 Å²	144.7	80%	0.804	78%	0.782	S	S	*	*			trans	-119.8	157.7	172.4	-50.7	0	0	0	0	111.7
688	P	24.7	Very low	23.9	Very low	128 Å²	128	141.2 Å²	141.2	83%	0.831	77%	0.767	S	S	*	*			trans	-125.4	147.5	160.1	35.5	-22.8	0	0	0	115.2
689	T	23	Very low	24.8	Very low	134 Å²	134	138 Å²	138	82%	0.822	76%	0.758	S	S	*	*			trans	-81.3	-171.8	175.8	-10.3	0	0	0	0	111.4
690	V	22.9	Very low	26.3	Very low	129 Å²	129	134.4 Å²	134.4	78%	0.782	74%	0.741	S	S	*	*			cis	-165.9	169.3	33.4	-127	0	0	0	0	107.8
691	C	21.1	Very low	28.3	Very low	108 Å²	108	130.3 Å²	130.3	73%	0.73	72%	0.721	S	S	*	*			cis	-165.4	-171.3	-4.5	-157.8	0	0	0	0	109.3
692	I	20.6	Very low	30	Very low	152 Å²	152	124.8 Å²	124.8	78%	0.779	70%	0.695	S	S	*	*			trans	70.5	137.1	164.9	-31.3	-177.5	0	0	0	116.9
693	P	26.6	Very low	32.5	Very low	110 Å²	110	118.4 Å²	118.4	71%	0.714	66%	0.663	S	S	*	*			cis	-125.7	-178.9	-38.1	39.4	-24.2	0	0	0	112.2
694	E	24.1	Very low	34.6	Very low	162 Å²	162	115.7 Å²	115.7	76%	0.757	64%	0.642	S	S	*	*				176.8	150.7	125.7	-102	177.6	-171.3	0	0	112
695	E	21.8	Very low	37	Very low	200 Å²	200	112.4 Å²	112.4	94%	0.935	62%	0.618	S	S	*	*			trans	-86.4	123.9	168.7	-62.7	178	130.3	0	0	108.8
696	Q	27.5	Very low	39	Very low	173 Å²	173	104 Å²	104	81%	0.808	59%	0.589	S	S	*	*			trans	-118	134.7	178.2	-69.7	-165.5	-12	0	0	112.9
697	C	25.1	Very low	40.5	Very low	107 Å²	107	100.8 Å²	100.8	72%	0.723	57%	0.567	S	S	*	*	P	Polyproline II helix	trans	-69.1	160.2	-172.6	-74.5	0	0	0	0	114.2
698	P	33.6	Very low	41.5	Very low	58 Å²	58	101.7 Å²	101.7	38%	0.377	56%	0.556	S	S	.	*	P	Polyproline II helix	trans	-63.9	158.6	173.5	29.3	-38	0	0	0	112.8	F532 Q700	F532-P698 HydrophobicContact CD2-CB 3.83Å; F532-P698 HydrophobicContact CD2-CG 3.72Å; F532-P698 HydrophobicContact CE2-CG 4.34Å; P698-Q700 PolarHBondContact O-N 2.95Å
699	V	41.4	Very low	42.3	Very low	92 Å²	92	100.3 Å²	100.3	56%	0.558	55%	0.545	S	S	*	.	P	Polyproline II helix	trans	-59.3	122.8	-173.6	-177.8	0	0	0	0	111.6	H701	V699-H701 WeakPolarHBondContact CG1-CE1 3.45Å
700	Q	53.4	Low	43	Very low	100 Å²	100	105.8 Å²	105.8	47%	0.467	55%	0.551	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-113.1	133.6	177.2	-78.4	179.2	37.1	0	0	109.8	H528 P698	H528-Q700 PolarHBondContact CE1-OE1 3.41Å; H528-Q700 VanDerWaalsContact CE1-OE1 3.27Å; H528-Q700 WeakPolarHBondContact NE2-CB 3.34Å; H528-Q700 PolarHBondContact NE2-OE1 3.19Å; P698-Q700 PolarHBondContact O-N 2.95Å
701	H	65.1	Low	43.5	Very low	88 Å²	88	106.2 Å²	106.2	41%	0.407	55%	0.549	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	109.7	176.1	-70.5	-6.4	0	0	0	110.6	Y529 V699 Y703	Y529-H701 HydrophobicContact CD1-CB 4.18Å; Y529-H701 PolarHBondContact N-O 3.39Å; Y529-H701 PolarHBondContact O-N 3.15Å; V699-H701 WeakPolarHBondContact CG1-CE1 3.45Å; H701-Y703 HydrophobicContact CB-CE2 3.86Å
702	V	59.4	Low	43.8	Very low	58 Å²	58	105.2 Å²	105.2	35%	0.352	56%	0.557	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-93.9	117.8	176	-178.2	0	0	0	0	109.4	Y526 S580	Y526-V702 HydrophobicContact CD1-CG1 4.06Å; S580-V702 PolarHBondContact N-O 2.97Å
703	Y	73.1	Confident	44.2	Very low	52 Å²	52	106.2 Å²	106.2	20%	0.204	56%	0.558	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-103.4	123.3	172	-59.8	-84.8	0	0	0	109.7	Y526 G527 L563 S578 H701	Y526-Y703 CarbonylContact C-O 3.58Å; Y526-Y703 VanDerWaalsContact CA-O 3.29Å; Y526-Y703 WeakPolarHBondContact CA-O 3.41Å; G527-Y703 PolarHBondContact N-O 2.81Å; G527-Y703 PolarHBondContact O-N 3.01Å; L563-Y703 HydrophobicContact CD1-CD2 4.38Å; L563-Y703 HydrophobicContact CD1-CE2 3.83Å; S578-Y703 CarbonylContact O-C 3.49Å; S578-Y703 WeakPolarHBondContact O-CA 3.4Å; H701-Y703 HydrophobicContact CB-CE2 3.86Å
704	Q	70	Confident	44.3	Very low	64 Å²	64	107.7 Å²	107.7	30%	0.299	57%	0.566	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-82.5	130.6	167.4	-174.5	-178.2	41.3	0	0	109.7	V525 Y526 L577 S578 V706	V525-Q704 WeakPolarHBondContact O-CA 3.48Å; Y526-Q704 HydrophobicContact CD1-CB 3.87Å; Y526-Q704 HydrophobicContact CD1-CG 4.08Å; Y526-Q704 HydrophobicContact CE1-CB 3.77Å; Y526-Q704 HydrophobicContact CE1-CG 3.67Å; L577-Q704 WeakPolarHBondContact CA-O 3.48Å; S578-Q704 PolarHBondContact N-O 3.4Å; S578-Q704 PolarHBondContact O-N 3.14Å; S578-Q704 PolarHBondContact OG-OE1 3Å; Q704-V706 HydrophobicContact CG-CG2 4.17Å
705	I	70.1	Confident	44.5	Very low	10 Å²	10	108.4 Å²	108.4	5%	0.051	57%	0.571	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-98.3	105	179.7	-68.9	157.8	0	0	0	107.9	M521 V524 V525 L540 L570 L577	M521-I705 HydrophobicContact CE-CD1 4.1Å; V524-I705 HydrophobicContact CB-CD1 4.22Å; V524-I705 HydrophobicContact CG1-CD1 3.56Å; V524-I705 WeakPolarHBondContact O-CG2 3.39Å; V525-I705 PolarHBondContact O-N 3.37Å; L540-I705 HydrophobicContact CD2-CD1 4.38Å; L570-I705 HydrophobicContact CD1-CG2 4.12Å; L577-I705 HydrophobicContact CD2-CB 4.36Å; L577-I705 HydrophobicContact CD2-CG1 3.54Å
706	V	64.2	Low	44.6	Very low	37 Å²	37	101.9 Å²	101.9	22%	0.224	56%	0.557	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-98.1	96.9	-179.9	-177.2	0	0	0	0	109.2	G575 Y576 Q704	G575-V706 CarbonylContact C-O 3.46Å; G575-V706 WeakPolarHBondContact CA-O 3.45Å; Y576-V706 HydrophobicContact CD1-CB 4.41Å; Y576-V706 HydrophobicContact CD2-CB 4.36Å; Y576-V706 HydrophobicContact CD2-CG2 4.28Å; Y576-V706 HydrophobicContact CE1-CB 4.22Å; Y576-V706 HydrophobicContact CE1-CG1 4.04Å; Y576-V706 HydrophobicContact CE2-CB 4.16Å; Y576-V706 HydrophobicContact CE2-CG2 3.78Å; Y576-V706 HydrophobicContact CG-CB 4.47Å; Y576-V706 PolarHBondContact N-O 3.45Å; Y576-V706 VanDerWaalsContact N-O 3.14Å; Y576-V706 PolarHBondContact O-N 3.1Å; Q704-V706 HydrophobicContact CG-CG2 4.17Å
707	S	53.5	Low	44.6	Very low	40 Å²	40	103 Å²	103	28%	0.28	57%	0.565	S	S	.	*			trans	-101.6	122	176.1	69	0	0	0	0	112.2
708	K	50.8	Low	44.6	Very low	134 Å²	134	104.6 Å²	104.6	58%	0.583	57%	0.567	S	S	*	*			trans	-89.2	111.7	170.6	-69.2	-178.2	-179.5	171.4	0	110.5
709	T	41.8	Very low	44.1	Very low	98 Å²	98	109 Å²	109	60%	0.601	59%	0.587	S	S	*	*			trans	-74.7	156.1	164.2	44	0	0	0	0	110.1	D711	T709-D711 VanDerWaalsContact C-N 3.35Å
710	R	37.6	Very low	43.3	Very low	249 Å²	249	111.8 Å²	111.8	94%	0.94	60%	0.598	S	S	*	*	S	Bend	trans	-84.6	-9.2	-171.7	-165.5	166.5	177.5	165.4	-0.9	114
711	D	32.3	Very low	42	Very low	138 Å²	138	113.4 Å²	113.4	74%	0.738	61%	0.61	S	S	*	*	S	Bend	trans	-93.8	121.6	178.4	-55.6	-59.7	0	0	0	110	T709 Q713	T709-D711 VanDerWaalsContact C-N 3.35Å; D711-Q713 PolarHBondContact O-N 3.15Å
712	G	28.7	Very low	40	Very low	87 Å²	87	116.3 Å²	116.3	90%	0.897	63%	0.634	S	S	*	*			trans	-78.8	72.7	-165	0	0	0	0	0	115.4
713	Q	28.8	Very low	38.2	Very low	173 Å²	173	118.6 Å²	118.6	81%	0.808	65%	0.653	S	S	*	*			trans	-134.9	95.8	161.8	-75	-166.7	-15.4	0	0	111.7	D711 M715	D711-Q713 PolarHBondContact O-N 3.15Å; Q713-M715 PolarHBondContact O-N 3.25Å
714	T	29.2	Very low	35.9	Very low	142 Å²	142	121.1 Å²	121.1	87%	0.871	68%	0.678	S	S	*	*			trans	-75.9	105.4	159.7	46.7	0	0	0	0	109
715	M	26.3	Very low	33.8	Very low	176 Å²	176	125.4 Å²	125.4	87%	0.867	70%	0.701	S	S	*	*	P	Polyproline II helix	trans	-62.2	137.4	157.8	-70	-72.1	-85.8	0	0	108	Q713	Q713-M715 PolarHBondContact O-N 3.25Å
716	G	25.7	Very low	31.6	Very low	63 Å²	63	133.3 Å²	133.3	65%	0.649	74%	0.742	S	S	*	*	S	Bend	trans	-62	169.2	-165.6	0	0	0	0	0	115.3
717	M	26.8	Very low	29.7	Very low	198 Å²	198	136.4 Å²	136.4	98%	0.975	77%	0.766	S	S	*	*	P	Polyproline II helix	cis	-103.6	172.1	33.5	-66.9	-171.8	166.1	0	0	116.7
718	N	24.2	Very low	28.3	Very low	140 Å²	140	141.2 Å²	141.2	75%	0.749	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-97.1	170.9	-165.9	-63.3	-31.4	0	0	0	114.1
719	N	24.3	Very low	27.1	Very low	150 Å²	150	144.9 Å²	144.9	80%	0.802	80%	0.798	S	S	*	*			trans	69.7	101.1	165.6	-55.5	-11.8	0	0	0	114.5
720	L	25.1	Very low	26.3	Very low	150 Å²	150	148 Å²	148	79%	0.785	81%	0.81	S	S	*	*				-163.9	151.3	62.1	-90.4	155.6	0	0	0	114.1
721	N	25.7	Very low	25.7	Very low	134 Å²	134	139.3 Å²	139.3	72%	0.717	79%	0.788	S	S	*	*			trans	42.6	88	152.5	-61.1	-6.3	0	0	0	120.2	S723	N721-S723 PolarHBondContact O-N 3.11Å
722	T	22.6	Very low	25.3	Very low	149 Å²	149	139.3 Å²	139.3	91%	0.914	79%	0.787	S	S	*	*			trans	-87.2	87.5	166.5	52.7	0	0	0	0	112.7
723	S	22.4	Very low	25.2	Very low	107 Å²	107	141 Å²	141	75%	0.748	77%	0.771	S	S	*	*			trans	-152.8	31.3	-179.4	58.5	0	0	0	0	117.5	N721	N721-S723 PolarHBondContact O-N 3.11Å
724	S	24.6	Very low	25	Very low	105 Å²	105	135.9 Å²	135.9	73%	0.734	76%	0.764	S	S	*	*			trans	-150.5	28.3	-174.3	58.7	0	0	0	0	118.6
725	I	26.2	Very low	24.7	Very low	154 Å²	154	132.9 Å²	132.9	79%	0.79	74%	0.742	S	S	*	*			trans	-131.5	77.1	175	-44.7	179.6	0	0	0	112.9
726	L	23	Very low	24.7	Very low	175 Å²	175	128.6 Å²	128.6	92%	0.916	73%	0.726	S	S	*	*	S	Bend	trans	-140.8	0.9	163	-110.1	172.9	0	0	0	114.2
727	S	23.4	Very low	24.7	Very low	102 Å²	102	135 Å²	135	71%	0.713	74%	0.739	S	S	*	*			trans	-130.3	76.3	-172.3	53	0	0	0	0	111.4
728	N	25.7	Very low	24.7	Very low	142 Å²	142	133.9 Å²	133.9	76%	0.759	73%	0.732	S	S	*	*			trans	-149.9	62.8	168.9	-107.5	-34.6	0	0	0	111.7	S731	N728-S731 PolarHBondContact OD1-OG 3.49Å
729	R	24.9	Very low	24.8	Very low	210 Å²	210	135.1 Å²	135.1	79%	0.792	74%	0.736	S	S	*	*	S	Bend	trans	-116.7	126	152.3	-86.7	-169.5	173.8	-162.7	-0.6	106.7
730	I	24	Very low	25	Very low	163 Å²	163	134.6 Å²	134.6	84%	0.836	74%	0.739	S	S	*	*	S	Bend	trans	64.5	86.5	177.4	-44	171.2	0	0	0	113.7
731	S	26.2	Very low	25	Very low	68 Å²	68	135.3 Å²	135.3	48%	0.476	74%	0.743	S	S	.	*			trans	-125.1	106.3	173.3	-51.8	0	0	0	0	110.4	N728 E733	N728-S731 PolarHBondContact OD1-OG 3.49Å; S731-E733 VanDerWaalsContact C-N 3.29Å; S731-E733 PolarHBondContact O-N 3.28Å; S731-E733 VanDerWaalsContact O-N 3.14Å
732	L	23	Very low	25.2	Very low	137 Å²	137	138.3 Å²	138.3	72%	0.717	75%	0.753	S	S	*	*			trans	-77.3	81.3	162.4	-87.7	75	0	0	0	108
733	E	27	Very low	25.4	Very low	124 Å²	124	136.2 Å²	136.2	58%	0.579	74%	0.744	S	S	*	*			trans	-132.1	142.5	-178.9	-108.4	170.6	-136.1	0	0	116.6	S731 T736	S731-E733 VanDerWaalsContact C-N 3.29Å; S731-E733 PolarHBondContact O-N 3.28Å; S731-E733 VanDerWaalsContact O-N 3.14Å; E733-T736 HydrophobicContact CG-CG2 4.11Å; E733-T736 WeakPolarHBondContact CG-OG1 3.48Å; E733-T736 WeakPolarHBondContact OE2-CB 3.29Å; E733-T736 WeakPolarHBondContact OE2-CG2 3.5Å; E733-T736 PolarHBondContact OE2-OG1 2.75Å
734	G	24	Very low	25.7	Very low	64 Å²	64	138.7 Å²	138.7	66%	0.66	75%	0.749	S	S	*	*	S	Bend	trans	173.8	36.3	-173.6	0	0	0	0	0	108.2
735	I	24.5	Very low	25.8	Very low	79 Å²	79	140.8 Å²	140.8	41%	0.405	75%	0.752	S	S	.	*			trans	-155.8	27.9	-172.6	-24.7	165.3	0	0	0	111.9	F764 K767	I735-F764 HydrophobicContact CD1-CE1 4.35Å; I735-F764 HydrophobicContact CD1-CE2 4.37Å; I735-F764 HydrophobicContact CD1-CZ 4.13Å; I735-K767 HydrophobicContact CD1-CD 3.55Å; I735-K767 HydrophobicContact CG1-CD 4.15Å
736	T	25.2	Very low	25.8	Very low	87 Å²	87	139.4 Å²	139.4	53%	0.534	75%	0.751	S	S	.	*			trans	-135.3	32.9	-170.1	31.1	0	0	0	0	113.3	E733	E733-T736 HydrophobicContact CG-CG2 4.11Å; E733-T736 WeakPolarHBondContact CG-OG1 3.48Å; E733-T736 WeakPolarHBondContact OE2-CB 3.29Å; E733-T736 WeakPolarHBondContact OE2-CG2 3.5Å; E733-T736 PolarHBondContact OE2-OG1 2.75Å
737	E	27	Very low	26	Very low	197 Å²	197	138.1 Å²	138.1	92%	0.921	75%	0.745	S	S	*	*	S	Bend	trans	-119.1	60.8	166.5	-73.2	-173.9	172.1	0	0	110.6
738	E	26.5	Very low	26.3	Very low	175 Å²	175	138.6 Å²	138.6	82%	0.818	74%	0.743	S	S	*	*	S	Bend	trans	-160.5	146.5	162.2	-113.3	174.4	-170.4	0	0	106.7
739	I	26.6	Very low	26.4	Very low	165 Å²	165	140.5 Å²	140.5	85%	0.846	75%	0.747	S	S	*	*	S	Bend	trans	70.6	57.5	-178.8	-34.9	170.5	0	0	0	115.9
740	V	27.1	Very low	26.4	Very low	140 Å²	140	136.3 Å²	136.3	85%	0.848	75%	0.75	S	S	*	*			trans	-143.3	89.2	135.7	-175.6	0	0	0	0	108
741	N	26.3	Very low	26.8	Very low	165 Å²	165	137.5 Å²	137.5	88%	0.882	75%	0.749	S	S	*	*			trans	-169.1	71.2	168.5	-108.1	-15.2	0	0	0	110.4
742	E	28.4	Very low	27.1	Very low	197 Å²	197	140.9 Å²	140.9	92%	0.921	76%	0.762	S	S	*	*			trans	-159.9	126.8	157.6	-118.2	162.9	-157.5	0	0	107.9
743	S	28.1	Very low	27.6	Very low	105 Å²	105	142.5 Å²	142.5	73%	0.734	77%	0.766	S	S	*	*			trans	-124.2	154.3	175.1	-64.1	0	0	0	0	108.7
744	D	27.8	Very low	27.8	Very low	158 Å²	158	144.1 Å²	144.1	85%	0.845	78%	0.777	S	S	*	*			trans	79.1	154.6	166.1	-50.1	-36.1	0	0	0	118.4
745	D	26.9	Very low	28.5	Very low	150 Å²	150	144.9 Å²	144.9	80%	0.802	77%	0.773	S	S	*	*			trans	68.4	92.8	176.9	-70.4	-12.9	0	0	0	123.1
746	V	27.2	Very low	29.7	Very low	125 Å²	125	145.1 Å²	145.1	76%	0.758	78%	0.778	S	S	*	*				71	113	120.4	177.2	0	0	0	0	121.3
747	D	26.4	Very low	30.6	Very low	148 Å²	148	148 Å²	148	79%	0.791	79%	0.785	S	S	*	*			trans	68.7	133.6	147.3	-88.5	-23.6	0	0	0	125.2
748	V	29.2	Very low	31.7	Very low	111 Å²	111	145.1 Å²	145.1	67%	0.673	77%	0.772	S	S	*	*			trans	56.3	85.3	139.1	-176.7	0	0	0	0	118.6
749	Q	27.3	Very low	33.2	Very low	182 Å²	182	141.1 Å²	141.1	85%	0.85	76%	0.756	S	S	*	*				-173.9	121.8	110.4	-104.5	163.2	73.5	0	0	115.6	K751	Q749-K751 PolarHBondContact O-N 3.1Å
750	S	26.6	Very low	34.4	Very low	122 Å²	122	136.9 Å²	136.9	85%	0.853	74%	0.738	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.8	85.3	176.3	43.4	0	0	0	0	112.9
751	K	31.7	Very low	35.5	Very low	189 Å²	189	136.2 Å²	136.2	82%	0.822	72%	0.723	S	S	*	*	T	Hydrogen-bonded Turn	trans	-158.4	-15.9	164.4	-115.1	151.5	-170.2	171.5	0	118.7	Q749	Q749-K751 PolarHBondContact O-N 3.1Å
752	N	32.5	Very low	37.3	Very low	138 Å²	138	131 Å²	131	74%	0.738	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.9	0.3	-169	-73.8	-8.5	0	0	0	116.6	L754 S755	N752-L754 VanDerWaalsContact C-N 3.31Å; N752-L754 PolarHBondContact O-N 3.34Å; N752-S755 PolarHBondContact O-OG 2.78Å
753	Q	33.4	Very low	39	Very low	172 Å²	172	128.5 Å²	128.5	80%	0.804	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.7	-8.4	-176	-78.6	-177.8	-23.2	0	0	115.6	T756	Q753-T756 PolarHBondContact O-OG1 3.32Å
754	L	31.3	Very low	40.4	Very low	157 Å²	157	127.3 Å²	127.3	82%	0.822	66%	0.663	S	S	*	*	H	α-helix	trans	-83.6	-24.9	-172.1	-154.1	71.7	0	0	0	114.1	N752	N752-L754 VanDerWaalsContact C-N 3.31Å; N752-L754 PolarHBondContact O-N 3.34Å
755	S	38.9	Very low	42	Very low	80 Å²	80	127 Å²	127	56%	0.559	65%	0.65	S	S	*	*	H	α-helix	trans	-79.2	-32.1	-176.6	49.3	0	0	0	0	113.9	N752 H757 E758	N752-S755 PolarHBondContact O-OG 2.78Å; S755-H757 PolarHBondContact O-N 2.97Å; S755-E758 PolarHBondContact O-N 2.85Å
756	T	50	Low	44.1	Very low	84 Å²	84	123.7 Å²	123.7	52%	0.515	63%	0.632	S	S	.	*	H	α-helix	trans	-67.7	-37	-175.4	51.5	0	0	0	0	112.8	Q753 E758 V760	Q753-T756 PolarHBondContact O-OG1 3.32Å; T756-E758 PolarHBondContact O-N 2.81Å; T756-V760 WeakPolarHBondContact O-CG2 3.16Å; T756-V760 PolarHBondContact O-N 2.91Å
757	H	44.1	Very low	46	Very low	148 Å²	148	122.5 Å²	122.5	69%	0.685	62%	0.616	S	S	*	*	H	α-helix	trans	-63.4	-37.2	178	-90.2	-81.5	0	0	0	113.2	S755 V760 F761	S755-H757 PolarHBondContact O-N 2.97Å; H757-V760 PolarHBondContact O-N 3.26Å; H757-F761 WeakPolarHBondContact O-CB 3.38Å; H757-F761 PolarHBondContact O-N 3.45Å
758	E	49.3	Very low	48	Very low	136 Å²	136	119.9 Å²	119.9	64%	0.636	60%	0.602	S	S	*	*	H	α-helix	trans	-73.4	-36	-177.4	-173.9	148.6	-162.6	0	0	112.3	S755 T756 F761 N762	S755-E758 PolarHBondContact O-N 2.85Å; T756-E758 PolarHBondContact O-N 2.81Å; E758-F761 PolarHBondContact O-N 3.31Å; E758-N762 WeakPolarHBondContact O-CB 3.3Å; E758-N762 PolarHBondContact O-N 3.32Å; E758-N762 PolarHBondContact O-ND2 3.23Å
759	D	58.1	Low	49.9	Very low	92 Å²	92	120.3 Å²	120.3	49%	0.492	60%	0.6	S	S	.	*	H	α-helix	trans	-66.9	-37.9	172.4	-87.4	-24.4	0	0	0	112.5	N762 K763	D759-N762 PolarHBondContact O-N 3.25Å; D759-K763 WeakPolarHBondContact O-CG 2.93Å; D759-K763 PolarHBondContact O-N 2.74Å
760	V	52.1	Low	52	Low	76 Å²	76	114.9 Å²	114.9	46%	0.461	58%	0.581	S	S	.	*	H	α-helix	trans	-63.9	-44.6	172.6	172.6	0	0	0	0	110.9	T756 H757 N762 K763 F764	T756-V760 WeakPolarHBondContact O-CG2 3.16Å; T756-V760 PolarHBondContact O-N 2.91Å; H757-V760 PolarHBondContact O-N 3.26Å; V760-N762 VanDerWaalsContact C-N 3.33Å; V760-N762 PolarHBondContact O-N 3.41Å; V760-K763 PolarHBondContact O-N 3.43Å; V760-F764 HydrophobicContact CG1-CD2 4.42Å; V760-F764 PolarHBondContact O-N 3.24Å
761	F	50.2	Low	53.8	Low	125 Å²	125	114.3 Å²	114.3	55%	0.548	57%	0.565	S	S	.	*	H	α-helix	trans	-64.2	-37.8	178.3	-158.3	-88.5	0	0	0	112.1	H757 E758 F764 R765	H757-F761 WeakPolarHBondContact O-CB 3.38Å; H757-F761 PolarHBondContact O-N 3.45Å; E758-F761 PolarHBondContact O-N 3.31Å; F761-F764 PolarHBondContact O-N 3.19Å; F761-R765 HydrophobicContact CD1-CG 4.48Å; F761-R765 HydrophobicContact CE1-CG 4.34Å; F761-R765 PolarHBondContact O-N 3.08Å
762	N	64	Low	55.6	Low	56 Å²	56	109.5 Å²	109.5	30%	0.299	55%	0.551	S	S	.	*	H	α-helix	trans	-67.7	-41.8	174.1	-77.6	-50.3	0	0	0	112.3	E758 D759 V760 F764 R765 I766	E758-N762 WeakPolarHBondContact O-CB 3.3Å; E758-N762 PolarHBondContact O-N 3.32Å; E758-N762 PolarHBondContact O-ND2 3.23Å; D759-N762 PolarHBondContact O-N 3.25Å; V760-N762 VanDerWaalsContact C-N 3.33Å; V760-N762 PolarHBondContact O-N 3.41Å; N762-F764 VanDerWaalsContact C-N 3.32Å; N762-F764 PolarHBondContact O-N 3.03Å; N762-R765 PolarHBondContact O-N 3.14Å; N762-I766 WeakPolarHBondContact O-CD1 3.34Å; N762-I766 VanDerWaalsContact O-CG1 3.29Å; N762-I766 WeakPolarHBondContact O-CG1 3.14Å; N762-I766 PolarHBondContact O-N 3.21Å
763	K	64.5	Low	57.6	Low	144 Å²	144	107.8 Å²	107.8	63%	0.626	54%	0.538	S	S	*	.	H	α-helix	trans	-57.7	-43.1	171.2	-75.5	174.2	-179.7	179.3	0	111.7	D759 V760 K767	D759-K763 WeakPolarHBondContact O-CG 2.93Å; D759-K763 PolarHBondContact O-N 2.74Å; V760-K763 PolarHBondContact O-N 3.43Å; K763-K767 PolarHBondContact O-N 2.92Å; K763-K767 VanDerWaalsContact O-N 3.11Å
764	F	56.3	Low	59.4	Low	80 Å²	80	108.2 Å²	108.2	35%	0.351	53%	0.532	S	S	.	.	H	α-helix	trans	-63.5	-48.5	175.5	-109.1	-80.5	0	0	0	112.4	I735 V760 F761 N762 I766 K767 I768	I735-F764 HydrophobicContact CD1-CE1 4.35Å; I735-F764 HydrophobicContact CD1-CE2 4.37Å; I735-F764 HydrophobicContact CD1-CZ 4.13Å; V760-F764 HydrophobicContact CG1-CD2 4.42Å; V760-F764 PolarHBondContact O-N 3.24Å; F761-F764 PolarHBondContact O-N 3.19Å; N762-F764 VanDerWaalsContact C-N 3.32Å; N762-F764 PolarHBondContact O-N 3.03Å; F764-I766 VanDerWaalsContact C-N 3.33Å; F764-I766 PolarHBondContact O-N 3.15Å; F764-K767 PolarHBondContact O-N 2.72Å; F764-I768 HydrophobicContact CD1-CD1 4.36Å; F764-I768 WeakPolarHBondContact O-CG1 3.33Å; F764-I768 PolarHBondContact O-N 3.45Å
765	R	61.1	Low	61.1	Low	152 Å²	152	107.2 Å²	107.2	57%	0.574	52%	0.521	S	S	*	.	H	α-helix	trans	-53.8	-47.3	175.7	-100.8	-179.2	160.1	149.2	-2.8	112.3	F761 N762 I768 L769	F761-R765 HydrophobicContact CD1-CG 4.48Å; F761-R765 HydrophobicContact CE1-CG 4.34Å; F761-R765 PolarHBondContact O-N 3.08Å; N762-R765 PolarHBondContact O-N 3.14Å; R765-I768 PolarHBondContact O-N 3.2Å; R765-L769 WeakPolarHBondContact O-CB 3.43Å; R765-L769 WeakPolarHBondContact O-CG 3.41Å; R765-L769 PolarHBondContact O-N 3.05Å
766	I	72.1	Confident	63	Low	80 Å²	80	109.6 Å²	109.6	41%	0.41	52%	0.518	S	S	.	.	H	α-helix	trans	-63.5	-42.4	179.6	-67.1	163.2	0	0	0	110.9	I661 N762 F764 L769 S770	I661-I766 HydrophobicContact CD1-CD1 3.67Å; N762-I766 WeakPolarHBondContact O-CD1 3.34Å; N762-I766 VanDerWaalsContact O-CG1 3.29Å; N762-I766 WeakPolarHBondContact O-CG1 3.14Å; N762-I766 PolarHBondContact O-N 3.21Å; F764-I766 VanDerWaalsContact C-N 3.33Å; F764-I766 PolarHBondContact O-N 3.15Å; I766-L769 PolarHBondContact O-N 2.24Å; I766-S770 WeakPolarHBondContact O-CB 3.43Å; I766-S770 PolarHBondContact O-N 3.32Å; I766-S770 PolarHBondContact O-OG 3.45Å
767	K	67.9	Low	64	Low	100 Å²	100	110.7 Å²	110.7	44%	0.435	51%	0.513	S	S	.	.	H	α-helix	trans	-67.7	-41	178.3	-78.7	-176	173.1	-172.4	0	112.7	I735 K763 F764 S770 H771	I735-K767 HydrophobicContact CD1-CD 3.55Å; I735-K767 HydrophobicContact CG1-CD 4.15Å; K763-K767 PolarHBondContact O-N 2.92Å; K763-K767 VanDerWaalsContact O-N 3.11Å; F764-K767 PolarHBondContact O-N 2.72Å; K767-S770 PolarHBondContact O-N 2.93Å; K767-S770 PolarHBondContact O-OG 3.09Å; K767-H771 PolarHBondContact O-N 3.26Å
768	I	67.6	Low	65.1	Low	94 Å²	94	108.1 Å²	108.1	48%	0.482	51%	0.505	S	S	.	.	H	α-helix	trans	-61.4	-49	174	-67.2	168.3	0	0	0	110.2	F764 R765 S770 H771 V772	F764-I768 HydrophobicContact CD1-CD1 4.36Å; F764-I768 WeakPolarHBondContact O-CG1 3.33Å; F764-I768 PolarHBondContact O-N 3.45Å; R765-I768 PolarHBondContact O-N 3.2Å; I768-S770 VanDerWaalsContact C-N 3.33Å; I768-S770 PolarHBondContact O-N 3.09Å; I768-H771 PolarHBondContact O-N 3.37Å; I768-V772 HydrophobicContact CG2-CG2 4.44Å; I768-V772 WeakPolarHBondContact O-CG2 3.46Å; I768-V772 PolarHBondContact O-N 3.05Å
769	L	69.3	Low	66.1	Low	120 Å²	120	106.8 Å²	106.8	63%	0.628	50%	0.498	S	S	*	.	H	α-helix	trans	-57.8	-43.5	175.5	-80.3	163.7	0	0	0	112	R765 I766 H771 V772 F773	R765-L769 WeakPolarHBondContact O-CB 3.43Å; R765-L769 WeakPolarHBondContact O-CG 3.41Å; R765-L769 PolarHBondContact O-N 3.05Å; I766-L769 PolarHBondContact O-N 2.24Å; L769-H771 VanDerWaalsContact C-N 3.35Å; L769-H771 PolarHBondContact O-N 3.18Å; L769-V772 PolarHBondContact O-N 3.16Å; L769-F773 VanDerWaalsContact O-CB 3.23Å; L769-F773 WeakPolarHBondContact O-CB 3.35Å; L769-F773 PolarHBondContact O-N 3.12Å
770	S	70.1	Confident	66.7	Low	67 Å²	67	107.5 Å²	107.5	47%	0.469	50%	0.497	S	S	.	.	H	α-helix	trans	-67.2	-34	178.7	75.8	0	0	0	0	112.9	I766 K767 I768 R774	I766-S770 WeakPolarHBondContact O-CB 3.43Å; I766-S770 PolarHBondContact O-N 3.32Å; I766-S770 PolarHBondContact O-OG 3.45Å; K767-S770 PolarHBondContact O-N 2.93Å; K767-S770 PolarHBondContact O-OG 3.09Å; I768-S770 VanDerWaalsContact C-N 3.33Å; I768-S770 PolarHBondContact O-N 3.09Å; S770-R774 WeakPolarHBondContact O-CB 3.4Å; S770-R774 PolarHBondContact O-N 2.98Å
771	H	64.4	Low	67.6	Low	111 Å²	111	106.5 Å²	106.5	51%	0.514	49%	0.489	S	S	.	.	H	α-helix	trans	-71.5	-42.7	176.3	-174.2	79.8	0	0	0	111.6	K767 I768 L769 R774 K775	K767-H771 PolarHBondContact O-N 3.26Å; I768-H771 PolarHBondContact O-N 3.37Å; L769-H771 VanDerWaalsContact C-N 3.35Å; L769-H771 PolarHBondContact O-N 3.18Å; H771-R774 PolarHBondContact O-N 3.48Å; H771-K775 VanDerWaalsContact NE2-CE 3.3Å; H771-K775 WeakPolarHBondContact NE2-CE 3.06Å; H771-K775 WeakPolarHBondContact O-CB 3.26Å; H771-K775 PolarHBondContact O-N 3.43Å
772	V	70.7	Confident	68.4	Low	88 Å²	88	105 Å²	105	53%	0.533	48%	0.482	S	S	.	.	H	α-helix	trans	-63.3	-48.2	174.6	172.3	0	0	0	0	110.4	I768 L769 R774 K775 W776	I768-V772 HydrophobicContact CG2-CG2 4.44Å; I768-V772 WeakPolarHBondContact O-CG2 3.46Å; I768-V772 PolarHBondContact O-N 3.05Å; L769-V772 PolarHBondContact O-N 3.16Å; V772-R774 PolarHBondContact O-N 3.02Å; V772-K775 PolarHBondContact O-N 3.18Å; V772-W776 WeakPolarHBondContact O-CB 3.07Å; V772-W776 PolarHBondContact O-N 3.18Å
773	F	74	Confident	68.6	Low	102 Å²	102	103.9 Å²	103.9	45%	0.447	48%	0.476	S	S	.	.	H	α-helix	trans	-61.9	-41.2	177.5	-175.3	-96.3	0	0	0	112.2	F669 L769 W776 Y777	F669-F773 HydrophobicContact CZ-CZ 4.4Å; L769-F773 VanDerWaalsContact O-CB 3.23Å; L769-F773 WeakPolarHBondContact O-CB 3.35Å; L769-F773 PolarHBondContact O-N 3.12Å; F773-W776 AromaticContact CD2-CE3 3.91Å; F773-W776 HydrophobicContact CD2-CE3 3.91Å; F773-W776 HydrophobicContact CD2-CZ3 4.19Å; F773-W776 AromaticContact CE2-CE3 3.75Å; F773-W776 HydrophobicContact CE2-CE3 3.75Å; F773-W776 AromaticContact CE2-CZ3 3.57Å; F773-W776 HydrophobicContact CE2-CZ3 3.57Å; F773-W776 HydrophobicContact CZ-CE3 4.38Å; F773-W776 HydrophobicContact CZ-CZ3 4.08Å; F773-W776 PolarHBondContact O-N 3.32Å; F773-Y777 VanDerWaalsContact O-CB 3.25Å; F773-Y777 WeakPolarHBondContact O-CB 3.45Å; F773-Y777 PolarHBondContact O-N 3.43Å
774	R	70.6	Confident	68.8	Low	180 Å²	180	105.3 Å²	105.3	68%	0.679	48%	0.478	S	S	*	.	H	α-helix	trans	-69.2	-34.2	177.2	-171.1	171.3	177.4	178.9	-1.8	112.6	S770 H771 V772 N778	S770-R774 WeakPolarHBondContact O-CB 3.4Å; S770-R774 PolarHBondContact O-N 2.98Å; H771-R774 PolarHBondContact O-N 3.48Å; V772-R774 PolarHBondContact O-N 3.02Å; R774-N778 VanDerWaalsContact O-CB 3.26Å; R774-N778 WeakPolarHBondContact O-CB 3.19Å; R774-N778 PolarHBondContact O-N 2.93Å; R774-N778 PolarHBondContact O-OD1 2.95Å
775	K	68.1	Low	69.5	Low	137 Å²	137	106 Å²	106	60%	0.596	49%	0.488	S	S	*	.	H	α-helix	trans	-64.4	-47.3	169.5	-84.4	-174.7	167.7	-178.6	0	111.6	H771 V772 N778 H779	H771-K775 VanDerWaalsContact NE2-CE 3.3Å; H771-K775 WeakPolarHBondContact NE2-CE 3.06Å; H771-K775 WeakPolarHBondContact O-CB 3.26Å; H771-K775 PolarHBondContact O-N 3.43Å; V772-K775 PolarHBondContact O-N 3.18Å; K775-N778 PolarHBondContact O-N 3.41Å; K775-H779 WeakPolarHBondContact O-CB 3.29Å; K775-H779 PolarHBondContact O-N 3.44Å
776	W	78.2	Confident	69.7	Low	130 Å²	130	99.3 Å²	99.3	49%	0.492	46%	0.464	S	S	.	.	H	α-helix	trans	-60.3	-49.3	177.5	175.3	83.9	0	0	0	111.9	V772 F773 N778 H779 F780	V772-W776 WeakPolarHBondContact O-CB 3.07Å; V772-W776 PolarHBondContact O-N 3.18Å; F773-W776 AromaticContact CD2-CE3 3.91Å; F773-W776 HydrophobicContact CD2-CE3 3.91Å; F773-W776 HydrophobicContact CD2-CZ3 4.19Å; F773-W776 AromaticContact CE2-CE3 3.75Å; F773-W776 HydrophobicContact CE2-CE3 3.75Å; F773-W776 AromaticContact CE2-CZ3 3.57Å; F773-W776 HydrophobicContact CE2-CZ3 3.57Å; F773-W776 HydrophobicContact CZ-CE3 4.38Å; F773-W776 HydrophobicContact CZ-CZ3 4.08Å; F773-W776 PolarHBondContact O-N 3.32Å; W776-N778 PolarHBondContact O-N 3.48Å; W776-H779 WeakPolarHBondContact O-CB 3.49Å; W776-H779 PolarHBondContact O-N 3.14Å; W776-F780 AromaticContact CD1-CD2 3.95Å; W776-F780 AromaticContact CD1-CE2 3.83Å; W776-F780 HydrophobicContact CD2-CD2 4.21Å; W776-F780 AromaticContact CE2-CD2 3.76Å; W776-F780 AromaticContact CE2-CE2 3.77Å; W776-F780 HydrophobicContact CG-CD2 4.32Å; W776-F780 HydrophobicContact CZ2-CD2 4.2Å; W776-F780 HydrophobicContact CZ2-CE2 4.18Å; W776-F780 AromaticContact NE1-CD2 3.6Å; W776-F780 AromaticContact NE1-CE2 3.25Å; W776-F780 VanDerWaalsContact NE1-CE2 3.25Å; W776-F780 WeakPolarHBondContact O-CD2 3.45Å; W776-F780 PolarHBondContact O-N 2.83Å
777	Y	71.6	Confident	69.7	Low	106 Å²	106	98.9 Å²	98.9	42%	0.416	46%	0.458	S	S	.	.	H	α-helix	trans	-61.4	-43.4	176.8	179.9	-98.4	0	0	0	112.4	F773 H779 F780 N781	F773-Y777 VanDerWaalsContact O-CB 3.25Å; F773-Y777 WeakPolarHBondContact O-CB 3.45Å; F773-Y777 PolarHBondContact O-N 3.43Å; Y777-H779 VanDerWaalsContact C-N 3.34Å; Y777-H779 PolarHBondContact O-N 3.09Å; Y777-F780 PolarHBondContact O-N 3.47Å; Y777-N781 WeakPolarHBondContact CE1-ND2 3.48Å; Y777-N781 WeakPolarHBondContact O-CB 3.42Å; Y777-N781 PolarHBondContact O-N 3.43Å; Y777-N781 PolarHBondContact OH-ND2 3.47Å; Y777-N781 VanDerWaalsContact OH-ND2 3.12Å
778	N	68	Low	70	Confident	95 Å²	95	102.3 Å²	102.3	51%	0.508	47%	0.473	S	S	.	.	H	α-helix	trans	-62.6	-40.6	174.7	-76.9	9.5	0	0	0	112	R774 K775 W776 K782	R774-N778 VanDerWaalsContact O-CB 3.26Å; R774-N778 WeakPolarHBondContact O-CB 3.19Å; R774-N778 PolarHBondContact O-N 2.93Å; R774-N778 PolarHBondContact O-OD1 2.95Å; K775-N778 PolarHBondContact O-N 3.41Å; W776-N778 PolarHBondContact O-N 3.48Å; N778-K782 VanDerWaalsContact O-CB 3.31Å; N778-K782 WeakPolarHBondContact O-CB 2.96Å; N778-K782 PolarHBondContact O-N 3.37Å
779	H	68.3	Low	70.2	Confident	108 Å²	108	101.7 Å²	101.7	50%	0.5	47%	0.467	S	S	.	.	H	α-helix	trans	-62.9	-45.4	175	174.2	79.6	0	0	0	111.4	K775 W776 Y777 K782 L783	K775-H779 WeakPolarHBondContact O-CB 3.29Å; K775-H779 PolarHBondContact O-N 3.44Å; W776-H779 WeakPolarHBondContact O-CB 3.49Å; W776-H779 PolarHBondContact O-N 3.14Å; Y777-H779 VanDerWaalsContact C-N 3.34Å; Y777-H779 PolarHBondContact O-N 3.09Å; H779-K782 WeakPolarHBondContact O-CB 3.42Å; H779-K782 PolarHBondContact O-N 3.06Å; H779-L783 VanDerWaalsContact NE2-CD1 3.33Å; H779-L783 WeakPolarHBondContact NE2-CD1 3.16Å; H779-L783 WeakPolarHBondContact O-CB 3.26Å; H779-L783 PolarHBondContact O-N 3.26Å
780	F	71.1	Confident	70.6	Confident	106 Å²	106	96 Å²	96	47%	0.465	44%	0.437	S	S	.	.	H	α-helix	trans	-66.4	-39.7	176.4	-92.5	-94.3	0	0	0	113.6	W776 Y777 K782 L783 R784	W776-F780 AromaticContact CD1-CD2 3.95Å; W776-F780 AromaticContact CD1-CE2 3.83Å; W776-F780 HydrophobicContact CD2-CD2 4.21Å; W776-F780 AromaticContact CE2-CD2 3.76Å; W776-F780 AromaticContact CE2-CE2 3.77Å; W776-F780 HydrophobicContact CG-CD2 4.32Å; W776-F780 HydrophobicContact CZ2-CD2 4.2Å; W776-F780 HydrophobicContact CZ2-CE2 4.18Å; W776-F780 AromaticContact NE1-CD2 3.6Å; W776-F780 AromaticContact NE1-CE2 3.25Å; W776-F780 VanDerWaalsContact NE1-CE2 3.25Å; W776-F780 WeakPolarHBondContact O-CD2 3.45Å; W776-F780 PolarHBondContact O-N 2.83Å; Y777-F780 PolarHBondContact O-N 3.47Å; F780-K782 VanDerWaalsContact C-N 3.32Å; F780-K782 PolarHBondContact O-N 2.77Å; F780-L783 PolarHBondContact O-N 3.14Å; F780-R784 WeakPolarHBondContact O-CB 3.41Å; F780-R784 PolarHBondContact O-N 3.2Å
781	N	70.8	Confident	70.6	Confident	56 Å²	56	94.9 Å²	94.9	30%	0.299	43%	0.432	S	S	.	.	H	α-helix	trans	-65.4	-35.7	172.6	-90.7	-4.4	0	0	0	112.1	Y777 R784 T785	Y777-N781 WeakPolarHBondContact CE1-ND2 3.48Å; Y777-N781 WeakPolarHBondContact O-CB 3.42Å; Y777-N781 PolarHBondContact O-N 3.43Å; Y777-N781 PolarHBondContact OH-ND2 3.47Å; Y777-N781 VanDerWaalsContact OH-ND2 3.12Å; N781-R784 PolarHBondContact O-N 3.13Å; N781-T785 WeakPolarHBondContact O-CB 3.32Å; N781-T785 PolarHBondContact O-N 2.84Å; N781-T785 PolarHBondContact O-OG1 3.43Å
782	K	67.5	Low	71	Confident	92 Å²	92	93.3 Å²	93.3	40%	0.4	43%	0.427	S	S	.	.	H	α-helix	trans	-65	-50.2	173.3	-166.8	174.6	-174.4	-178.9	0	110.7	N778 H779 F780 R784 T785 V786 E1282	N778-K782 VanDerWaalsContact O-CB 3.31Å; N778-K782 WeakPolarHBondContact O-CB 2.96Å; N778-K782 PolarHBondContact O-N 3.37Å; H779-K782 WeakPolarHBondContact O-CB 3.42Å; H779-K782 PolarHBondContact O-N 3.06Å; F780-K782 VanDerWaalsContact C-N 3.32Å; F780-K782 PolarHBondContact O-N 2.77Å; K782-R784 VanDerWaalsContact C-N 3.32Å; K782-R784 PolarHBondContact O-N 3.27Å; K782-T785 WeakPolarHBondContact O-CB 3.36Å; K782-T785 PolarHBondContact O-N 3.48Å; K782-V786 HydrophobicContact CG-CG2 4.45Å; K782-V786 WeakPolarHBondContact O-CG2 3.43Å; K782-V786 PolarHBondContact O-N 3.35Å; K782-E1282 WeakPolarHBondContact CE-OE1 3.28Å; K782-E1282 WeakPolarHBondContact CE-OE2 3.5Å; K782-E1282 IonicContact NZ-OE1 2.76Å; K782-E1282 PolarHBondContact NZ-OE1 3.48Å; K782-E1282 IonicContact NZ-OE2 3.91Å; K782-E1282 PolarHBondContact NZ-OE2 2.85Å; K782-E1282 VanDerWaalsContact NZ-OE2 3.17Å
783	L	68.1	Low	71.4	Confident	34 Å²	34	89.1 Å²	89.1	18%	0.178	40%	0.401	C	S	.	.	H	α-helix	trans	-54.9	-43.4	173.1	-107.8	143.5	0	0	0	112.4	H779 F780 T785 V786 R787 L1395	H779-L783 VanDerWaalsContact NE2-CD1 3.33Å; H779-L783 WeakPolarHBondContact NE2-CD1 3.16Å; H779-L783 WeakPolarHBondContact O-CB 3.26Å; H779-L783 PolarHBondContact O-N 3.26Å; F780-L783 PolarHBondContact O-N 3.14Å; L783-T785 VanDerWaalsContact C-N 3.32Å; L783-T785 PolarHBondContact O-N 2.75Å; L783-V786 PolarHBondContact O-N 3.46Å; L783-R787 WeakPolarHBondContact O-CB 3.43Å; L783-R787 VanDerWaalsContact O-CG 3.26Å; L783-R787 WeakPolarHBondContact O-CG 3.34Å; L783-R787 PolarHBondContact O-N 2.83Å; L783-L1395 HydrophobicContact CD2-CD2 4.49Å
784	R	70.1	Confident	71.6	Confident	173 Å²	173	84.5 Å²	84.5	65%	0.653	38%	0.382	S	S	*	.	H	α-helix	trans	-64.4	-34.8	176.1	-168.6	177.4	-173.4	-172.6	1.4	112.6	F780 N781 K782 K788	F780-R784 WeakPolarHBondContact O-CB 3.41Å; F780-R784 PolarHBondContact O-N 3.2Å; N781-R784 PolarHBondContact O-N 3.13Å; K782-R784 VanDerWaalsContact C-N 3.32Å; K782-R784 PolarHBondContact O-N 3.27Å; R784-K788 PolarHBondContact O-N 3.34Å
785	T	70.2	Confident	71.7	Confident	94 Å²	94	76.6 Å²	76.6	58%	0.577	35%	0.354	S	S	*	.	H	α-helix	trans	-74.3	-45.3	177.6	-55.2	0	0	0	0	111.3	N781 K782 L783 K788 K789	N781-T785 WeakPolarHBondContact O-CB 3.32Å; N781-T785 PolarHBondContact O-N 2.84Å; N781-T785 PolarHBondContact O-OG1 3.43Å; K782-T785 WeakPolarHBondContact O-CB 3.36Å; K782-T785 PolarHBondContact O-N 3.48Å; L783-T785 VanDerWaalsContact C-N 3.32Å; L783-T785 PolarHBondContact O-N 2.75Å; T785-K788 WeakPolarHBondContact O-CB 3.06Å; T785-K788 PolarHBondContact O-N 3.04Å; T785-K789 PolarHBondContact O-N 2.98Å; T785-K789 VanDerWaalsContact O-N 3.13Å
786	V	65.8	Low	71.5	Confident	12 Å²	12	74.3 Å²	74.3	7%	0.073	35%	0.353	C	S	.	.	H	α-helix	trans	-73.2	-34.7	178.8	-171.9	0	0	0	0	111	K782 L783 K788 K789 L790 I1283	K782-V786 HydrophobicContact CG-CG2 4.45Å; K782-V786 WeakPolarHBondContact O-CG2 3.43Å; K782-V786 PolarHBondContact O-N 3.35Å; L783-V786 PolarHBondContact O-N 3.46Å; V786-K788 VanDerWaalsContact C-N 3.31Å; V786-K788 PolarHBondContact O-N 2.83Å; V786-K789 CarbonylContact O-C 3.36Å; V786-K789 WeakPolarHBondContact O-CA 3.28Å; V786-K789 WeakPolarHBondContact O-CB 3.3Å; V786-K789 PolarHBondContact O-N 2.93Å; V786-L790 HydrophobicContact CG1-CD1 3.67Å; V786-L790 HydrophobicContact CG1-CG 3.81Å; V786-L790 WeakPolarHBondContact O-CG 2.87Å; V786-L790 PolarHBondContact O-N 2.93Å; V786-I1283 HydrophobicContact CB-CD1 3.96Å; V786-I1283 HydrophobicContact CB-CG1 4.49Å; V786-I1283 HydrophobicContact CG1-CD1 3.46Å; V786-I1283 VanDerWaalsContact CG1-CD1 3.46Å; V786-I1283 HydrophobicContact CG1-CG1 4.06Å
787	R	72.1	Confident	70.9	Confident	72 Å²	72	72.8 Å²	72.8	27%	0.272	36%	0.355	S	S	.	.	H	α-helix	trans	-51.4	-48.1	166.1	-85.9	178.4	172.8	-174.9	-4.3	111.5	L783 K789 L790 A791 L1395 D1398	L783-R787 WeakPolarHBondContact O-CB 3.43Å; L783-R787 VanDerWaalsContact O-CG 3.26Å; L783-R787 WeakPolarHBondContact O-CG 3.34Å; L783-R787 PolarHBondContact O-N 2.83Å; R787-K789 VanDerWaalsContact C-N 3.3Å; R787-K789 PolarHBondContact O-N 2.83Å; R787-L790 PolarHBondContact O-N 3.4Å; R787-A791 VanDerWaalsContact O-CB 3.31Å; R787-A791 WeakPolarHBondContact O-CB 3.44Å; R787-A791 PolarHBondContact O-N 2.85Å; R787-L1395 PolarHBondContact NE-O 2.85Å; R787-L1395 PolarHBondContact NH2-O 3.08Å; R787-D1398 PolarHBondContact NH1-O 2.95Å; R787-D1398 PolarHBondContact NH2-O 3.32Å
788	K	74.4	Confident	70.4	Confident	171 Å²	171	71.7 Å²	71.7	74%	0.743	35%	0.352	S	S	*	.	H	α-helix	trans	-61.1	-37.2	175.4	-79	-174.7	173.1	-170.1	0	112.8	R784 T785 V786	R784-K788 PolarHBondContact O-N 3.34Å; T785-K788 WeakPolarHBondContact O-CB 3.06Å; T785-K788 PolarHBondContact O-N 3.04Å; V786-K788 VanDerWaalsContact C-N 3.31Å; V786-K788 PolarHBondContact O-N 2.83Å
789	K	70.7	Confident	70	Confident	82 Å²	82	69.1 Å²	69.1	36%	0.357	34%	0.338	S	S	.	.	H	α-helix	trans	-73.1	-35.6	179.6	-172.2	-178.1	177	-172.1	0	112.9	T785 V786 R787 S1275 F1276 S1279	T785-K789 PolarHBondContact O-N 2.98Å; T785-K789 VanDerWaalsContact O-N 3.13Å; V786-K789 CarbonylContact O-C 3.36Å; V786-K789 WeakPolarHBondContact O-CA 3.28Å; V786-K789 WeakPolarHBondContact O-CB 3.3Å; V786-K789 PolarHBondContact O-N 2.93Å; R787-K789 VanDerWaalsContact C-N 3.3Å; R787-K789 PolarHBondContact O-N 2.83Å; K789-S1275 PolarHBondContact NZ-O 2.64Å; K789-S1275 PolarHBondContact NZ-OG 2.76Å; K789-F1276 HydrophobicContact CG-CD1 4.45Å; K789-F1276 HydrophobicContact CG-CE1 4.16Å; K789-F1276 WeakPolarHBondContact O-CE1 3.49Å; K789-S1279 PolarHBondContact NZ-OG 3.46Å
790	L	77.4	Confident	69.5	Low	0 Å²	0	67 Å²	67	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-94.2	-4.5	-178.7	-54.7	179.3	0	0	0	113.5	V786 R787 D792 L793 F1276 L1280 I1283 L1392	V786-L790 HydrophobicContact CG1-CD1 3.67Å; V786-L790 HydrophobicContact CG1-CG 3.81Å; V786-L790 WeakPolarHBondContact O-CG 2.87Å; V786-L790 PolarHBondContact O-N 2.93Å; R787-L790 PolarHBondContact O-N 3.4Å; L790-D792 PolarHBondContact O-N 3.14Å; L790-D792 VanDerWaalsContact O-N 3.11Å; L790-L793 HydrophobicContact CB-CD1 4.38Å; L790-L793 HydrophobicContact CD2-CD1 3.5Å; L790-L793 WeakPolarHBondContact O-CB 3.36Å; L790-L793 PolarHBondContact O-N 3.2Å; L790-F1276 HydrophobicContact CD2-CD1 4.09Å; L790-L1280 HydrophobicContact CD1-CD2 3.89Å; L790-L1280 HydrophobicContact CD2-CD2 4.34Å; L790-I1283 HydrophobicContact CD1-CD1 3.76Å; L790-L1392 HydrophobicContact CB-CD2 4.43Å; L790-L1392 HydrophobicContact CD1-CD1 3.99Å; L790-L1392 HydrophobicContact CD1-CD2 4.14Å
791	A	70.7	Confident	68.8	Low	44 Å²	44	64.1 Å²	64.1	36%	0.364	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-26.2	-176.2	0	0	0	0	0	114.4	R787 M1396	R787-A791 VanDerWaalsContact O-CB 3.31Å; R787-A791 WeakPolarHBondContact O-CB 3.44Å; R787-A791 PolarHBondContact O-N 2.85Å; A791-M1396 WeakPolarHBondContact O-CE 3.49Å
792	D	72.7	Confident	67.8	Low	77 Å²	77	67 Å²	67	41%	0.412	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.9	0.8	179	-78.2	1	0	0	0	113.3	L790 P1254 K1257	L790-D792 PolarHBondContact O-N 3.14Å; L790-D792 VanDerWaalsContact O-N 3.11Å; D792-P1254 HydrophobicContact CB-CB 4.21Å; D792-K1257 VanDerWaalsContact CG-NZ 3.29Å; D792-K1257 IonicContact OD1-NZ 3.09Å; D792-K1257 PolarHBondContact OD1-NZ 3.47Å; D792-K1257 IonicContact OD2-NZ 2.75Å; D792-K1257 PolarHBondContact OD2-NZ 2.91Å
793	L	79.2	Confident	66.9	Low	0 Å²	0	66 Å²	66	0%	0	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-34	-179.5	-89.7	168.1	0	0	0	114.1	L790 P1254 F1276 T1336 D1338 I1341	L790-L793 HydrophobicContact CB-CD1 4.38Å; L790-L793 HydrophobicContact CD2-CD1 3.5Å; L790-L793 WeakPolarHBondContact O-CB 3.36Å; L790-L793 PolarHBondContact O-N 3.2Å; L793-P1254 HydrophobicContact CD2-CG 4.15Å; L793-F1276 HydrophobicContact CD1-CB 3.99Å; L793-F1276 HydrophobicContact CD1-CD1 3.72Å; L793-F1276 HydrophobicContact CD1-CD2 4.06Å; L793-F1276 HydrophobicContact CD1-CE1 4.13Å; L793-F1276 HydrophobicContact CD1-CE2 4.41Å; L793-F1276 HydrophobicContact CD1-CG 3.69Å; L793-F1276 HydrophobicContact CD1-CZ 4.46Å; L793-F1276 HydrophobicContact CD2-CD2 3.98Å; L793-F1276 HydrophobicContact CD2-CE2 4.1Å; L793-F1276 HydrophobicContact CD2-CG 4.44Å; L793-F1276 HydrophobicContact CG-CD1 4.46Å; L793-F1276 HydrophobicContact CG-CD2 4.26Å; L793-F1276 HydrophobicContact CG-CE1 4.46Å; L793-F1276 HydrophobicContact CG-CE2 4.24Å; L793-F1276 HydrophobicContact CG-CG 4.37Å; L793-F1276 HydrophobicContact CG-CZ 4.36Å; L793-T1336 WeakPolarHBondContact O-CA 3.36Å; L793-T1336 WeakPolarHBondContact O-CB 3.49Å; L793-T1336 PolarHBondContact O-OG1 2.85Å; L793-D1338 HydrophobicContact CD2-CB 4.45Å; L793-I1341 HydrophobicContact CD1-CD1 3.97Å; L793-I1341 HydrophobicContact CD2-CD1 3.75Å
794	V	78.4	Confident	66.2	Low	5 Å²	5	68.9 Å²	68.9	3%	0.03	37%	0.365	C	S	.	.	B	Isolated β-bridge	trans	-129.8	135	-172.2	-165	0	0	0	0	110.4	V1335 F1342 V1389 L1392 Q1393	V794-V1335 CarbonylContact C-O 3.59Å; V794-V1335 VanDerWaalsContact CA-O 3.25Å; V794-V1335 WeakPolarHBondContact CA-O 3.49Å; V794-V1335 HydrophobicContact CG1-CG1 4.43Å; V794-V1335 VanDerWaalsContact CG1-O 3.25Å; V794-V1335 WeakPolarHBondContact CG1-O 3.25Å; V794-F1342 HydrophobicContact CG2-CE1 4.4Å; V794-F1342 HydrophobicContact CG2-CE2 4.23Å; V794-F1342 HydrophobicContact CG2-CZ 3.58Å; V794-V1389 HydrophobicContact CG1-CG1 3.81Å; V794-L1392 HydrophobicContact CG2-CD2 3.73Å; V794-L1392 HydrophobicContact CG2-CG 4.21Å; V794-Q1393 HydrophobicContact CG1-CG 3.45Å; V794-Q1393 VanDerWaalsContact CG1-CG 3.45Å
795	S	72.7	Confident	65.5	Low	15 Å²	15	63.6 Å²	63.6	11%	0.105	35%	0.352	C	S	.	.			trans	-65	146.3	176.5	77.2	0	0	0	0	110.4	N797 L1334 V1335 Q1393	S795-N797 PolarHBondContact O-N 2.92Å; S795-L1334 PolarHBondContact OG-O 3.33Å; S795-V1335 PolarHBondContact N-O 3.46Å; S795-Q1393 PolarHBondContact O-NE2 2.92Å
796	P	63.5	Low	64.9	Low	88 Å²	88	62.7 Å²	62.7	57%	0.571	34%	0.344	S	S	*	.	S	Bend	trans	-75.4	1.4	177.3	32.8	-37	0	0	0	113.3
797	N	65.4	Low	64.6	Low	98 Å²	98	62.1 Å²	62.1	52%	0.524	34%	0.34	S	S	.	.			trans	-95	104.7	-175.9	-65.4	-12.2	0	0	0	109.3	S795 L799 Q1393	S795-N797 PolarHBondContact O-N 2.92Å; N797-L799 PolarHBondContact O-N 2.86Å; N797-Q1393 PolarHBondContact O-NE2 3.35Å
798	F	61.3	Low	63.8	Low	83 Å²	83	65.4 Å²	65.4	36%	0.364	36%	0.359	S	S	.	.			trans	-60	129.6	170.8	-59.9	-80.8	0	0	0	110.4	F1390 Q1393 H1394 V1397	F798-F1390 HydrophobicContact CD1-CD2 4.01Å; F798-F1390 AromaticContact CD1-CE2 3.73Å; F798-F1390 HydrophobicContact CD1-CE2 3.73Å; F798-F1390 HydrophobicContact CD1-CZ 4.48Å; F798-F1390 HydrophobicContact CE1-CE2 4.29Å; F798-Q1393 HydrophobicContact CD1-CB 3.75Å; F798-Q1393 HydrophobicContact CE1-CB 3.46Å; F798-Q1393 VanDerWaalsContact CE1-CB 3.46Å; F798-Q1393 HydrophobicContact CZ-CB 4.23Å; F798-H1394 HydrophobicContact CE1-CB 4.35Å; F798-V1397 HydrophobicContact CE2-CB 4.2Å; F798-V1397 HydrophobicContact CE2-CG1 4.2Å; F798-V1397 HydrophobicContact CE2-CG2 3.8Å; F798-V1397 HydrophobicContact CZ-CB 4.02Å; F798-V1397 HydrophobicContact CZ-CG1 4.4Å; F798-V1397 HydrophobicContact CZ-CG2 3.83Å
799	L	59.7	Low	62.8	Low	41 Å²	41	65 Å²	65	22%	0.215	36%	0.359	C	S	.	.			trans	-92.9	136.2	163.1	-69.4	93.5	0	0	0	108.9	N797 R834 L1334 V1335	N797-L799 PolarHBondContact O-N 2.86Å; L799-R834 HydrophobicContact CD2-CB 4.28Å; L799-R834 HydrophobicContact CD2-CG 3.85Å; L799-L1334 HydrophobicContact CD1-CB 4.32Å; L799-L1334 HydrophobicContact CD2-CB 4.24Å; L799-L1334 HydrophobicContact CD2-CD1 3.87Å; L799-L1334 HydrophobicContact CD2-CD2 4.35Å; L799-L1334 HydrophobicContact CD2-CG 4.41Å; L799-V1335 HydrophobicContact CD1-CB 4.29Å; L799-V1335 HydrophobicContact CD1-CG1 3.77Å; L799-V1335 HydrophobicContact CD1-CG2 3.94Å
800	T	57.6	Low	62.3	Low	64 Å²	64	61.2 Å²	61.2	39%	0.393	34%	0.344	S	S	.	.			trans	-116.1	155.5	171.4	54.8	0	0	0	0	109.1	D802 S803 R834	T800-D802 VanDerWaalsContact C-N 3.32Å; T800-S803 WeakPolarHBondContact OG1-CB 3.39Å; T800-R834 PolarHBondContact O-NH1 3.33Å
801	V	57	Low	61.8	Low	45 Å²	45	61.3 Å²	61.3	27%	0.273	34%	0.344	S	S	.	.	S	Bend	trans	-71	-33.9	-179.5	-166.3	0	0	0	0	110.6	N806 A807 E808 R834 F838	V801-N806 CarbonylContact O-C 3.59Å; V801-N806 WeakPolarHBondContact O-CA 3.44Å; V801-A807 PolarHBondContact O-N 3.38Å; V801-E808 HydrophobicContact CG1-CG 3.59Å; V801-R834 PolarHBondContact O-NH1 3.4Å; V801-F838 HydrophobicContact CG2-CE1 4.11Å; V801-F838 HydrophobicContact CG2-CE2 4.49Å; V801-F838 HydrophobicContact CG2-CZ 3.86Å
802	D	50	Low	61.8	Low	116 Å²	116	62 Å²	62	62%	0.62	34%	0.344	S	S	*	.	S	Bend	trans	-87.4	-8.8	-172	-45.1	-76.5	0	0	0	115.6	T800 T805	T800-D802 VanDerWaalsContact C-N 3.32Å; D802-T805 CarbonylContact C-O 3.53Å; D802-T805 VanDerWaalsContact C-O 3.25Å; D802-T805 CarbonylContact O-C 3.57Å
803	S	48.7	Very low	61.7	Low	72 Å²	72	62.7 Å²	62.7	50%	0.503	35%	0.351	S	S	.	.	S	Bend	trans	-137.2	132.1	-168.3	-144.7	0	0	0	0	113	T800 T805 R834	T800-S803 WeakPolarHBondContact OG1-CB 3.39Å; S803-T805 PolarHBondContact N-O 3.36Å; S803-R834 PolarHBondContact O-NH1 2.87Å
804	P	52.4	Low	61.3	Low	94 Å²	94	69.7 Å²	69.7	61%	0.61	38%	0.383	S	S	*	.	S	Bend	cis	-73.7	-16.2	3.8	30.8	-37.3	0	0	0	115.4	E831	P804-E831 WeakPolarHBondContact CD-OE1 3.09Å; P804-E831 WeakPolarHBondContact CD-OE2 3.24Å; P804-E831 VanDerWaalsContact CG-CD 3.49Å; P804-E831 WeakPolarHBondContact CG-OE1 3.38Å; P804-E831 VanDerWaalsContact CG-OE2 3.3Å; P804-E831 WeakPolarHBondContact CG-OE2 3.04Å
805	T	54.9	Low	61.2	Low	63 Å²	63	71.3 Å²	71.3	39%	0.387	39%	0.39	S	S	.	.	S	Bend	trans	-135	164	176.2	40.6	0	0	0	0	110	D802 S803 A807 R834 Y835	D802-T805 CarbonylContact C-O 3.53Å; D802-T805 VanDerWaalsContact C-O 3.25Å; D802-T805 CarbonylContact O-C 3.57Å; S803-T805 PolarHBondContact N-O 3.36Å; T805-A807 PolarHBondContact O-N 3.41Å; T805-R834 VanDerWaalsContact O-CZ 3.27Å; T805-R834 PolarHBondContact O-NH1 3.21Å; T805-R834 PolarHBondContact O-NH2 3.04Å; T805-R834 PolarHBondContact OG1-NH2 3.04Å; T805-R834 VanDerWaalsContact OG1-NH2 3.08Å; T805-Y835 WeakPolarHBondContact CB-OH 3.34Å; T805-Y835 PolarHBondContact OG1-OH 2.89Å
806	N	57.7	Low	61.5	Low	75 Å²	75	71.2 Å²	71.2	40%	0.401	39%	0.388	S	S	.	.			trans	-66.1	135.9	169.1	-166	-2.6	0	0	0	110.1	V801 E808 Y835	V801-N806 CarbonylContact O-C 3.59Å; V801-N806 WeakPolarHBondContact O-CA 3.44Å; N806-E808 PolarHBondContact ND2-OE2 2.88Å; N806-E808 WeakPolarHBondContact OD1-CB 3.49Å; N806-E808 VanDerWaalsContact OD1-CG 3.3Å; N806-E808 WeakPolarHBondContact OD1-CG 3.14Å; N806-E808 PolarHBondContact OD1-N 3.3Å; N806-Y835 VanDerWaalsContact O-CE1 3.31Å; N806-Y835 WeakPolarHBondContact O-CE1 3.32Å; N806-Y835 PolarHBondContact O-OH 3.38Å
807	A	60.3	Low	62.1	Low	0 Å²	0	71.1 Å²	71.1	0%	0	38%	0.382	C	S	.	.			trans	-118.2	8.6	175.1	0	0	0	0	0	114	V801 T805 E809 G810 Y835 F838	V801-A807 PolarHBondContact O-N 3.38Å; T805-A807 PolarHBondContact O-N 3.41Å; A807-E809 PolarHBondContact O-N 3.18Å; A807-G810 PolarHBondContact O-N 3.16Å; A807-Y835 HydrophobicContact CB-CD1 3.79Å; A807-Y835 HydrophobicContact CB-CE1 3.99Å; A807-Y835 HydrophobicContact CB-CG 4.47Å; A807-F838 HydrophobicContact CB-CD2 3.8Å; A807-F838 HydrophobicContact CB-CE2 4.29Å
808	E	54.7	Low	62.5	Low	141 Å²	141	70.6 Å²	70.6	66%	0.659	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-32	172	-72.3	177.8	130.8	0	0	112.9	V801 N806 G810	V801-E808 HydrophobicContact CG1-CG 3.59Å; N806-E808 PolarHBondContact ND2-OE2 2.88Å; N806-E808 WeakPolarHBondContact OD1-CB 3.49Å; N806-E808 VanDerWaalsContact OD1-CG 3.3Å; N806-E808 WeakPolarHBondContact OD1-CG 3.14Å; N806-E808 PolarHBondContact OD1-N 3.3Å; E808-G810 VanDerWaalsContact C-N 3.34Å
809	E	53	Low	63.1	Low	161 Å²	161	67.2 Å²	67.2	75%	0.752	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.4	1.4	176.5	-60.3	-174.8	151.7	0	0	113.6	A807	A807-E809 PolarHBondContact O-N 3.18Å
810	G	62	Low	63.8	Low	3 Å²	3	68.9 Å²	68.9	3%	0.031	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	47.7	-135.8	168.9	0	0	0	0	0	117.4	A807 E808 Y835	A807-G810 PolarHBondContact O-N 3.16Å; E808-G810 VanDerWaalsContact C-N 3.34Å; G810-Y835 WeakPolarHBondContact O-CD1 3.37Å
811	V	66.2	Low	64.4	Low	2 Å²	2	70.4 Å²	70.4	1%	0.012	38%	0.379	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.5	76.3	-179.2	-171.2	0	0	0	0	110.2	W816 L832 Y835 I836 H841	V811-W816 HydrophobicContact CG1-CB 3.98Å; V811-W816 HydrophobicContact CG1-CE3 4.25Å; V811-L832 HydrophobicContact CG2-CD1 4.29Å; V811-Y835 VanDerWaalsContact CG2-CB 3.46Å; V811-I836 HydrophobicContact CG2-CG1 3.76Å; V811-H841 HydrophobicContact CB-CB 4.19Å; V811-H841 HydrophobicContact CG1-CB 3.96Å; V811-H841 PolarHBondContact O-CD2 3.12Å
812	T	70.5	Confident	64.7	Low	60 Å²	60	73.3 Å²	73.3	37%	0.368	39%	0.393	S	S	.	.			trans	-60.1	149.6	168.5	67.5	0	0	0	0	111.1	E814 F815 W816	T812-E814 PolarHBondContact O-N 3.3Å; T812-E814 VanDerWaalsContact O-N 3.15Å; T812-F815 PolarHBondContact O-N 2.9Å; T812-F815 WeakPolarHBondContact OG1-CB 3.36Å; T812-F815 PolarHBondContact OG1-N 3.47Å; T812-F815 VanDerWaalsContact OG1-N 3.17Å; T812-W816 PolarHBondContact O-N 3.06Å
813	V	69.7	Low	64.8	Low	91 Å²	91	71.8 Å²	71.8	55%	0.552	39%	0.392	S	S	*	.	H	α-helix	trans	-55.8	-32.6	175.8	-179.6	0	0	0	0	111.5	N817	V813-N817 WeakPolarHBondContact CG1-ND2 3.46Å; V813-N817 WeakPolarHBondContact O-CB 3.49Å; V813-N817 PolarHBondContact O-N 3.3Å; V813-N817 PolarHBondContact O-ND2 2.9Å
814	E	72.7	Confident	65.3	Low	146 Å²	146	70.5 Å²	70.5	68%	0.682	38%	0.379	S	S	*	.	H	α-helix	trans	-69.3	-44.1	176.3	-62.9	-178.2	-174	0	0	111.8	T812 N817 Q818	T812-E814 PolarHBondContact O-N 3.3Å; T812-E814 VanDerWaalsContact O-N 3.15Å; E814-N817 PolarHBondContact O-N 2.81Å; E814-Q818 WeakPolarHBondContact O-CB 3.47Å; E814-Q818 WeakPolarHBondContact O-CG 3.44Å; E814-Q818 PolarHBondContact O-N 2.92Å; E814-Q818 PolarHBondContact O-NE2 2.97Å
815	F	74.7	Confident	65.5	Low	39 Å²	39	71.5 Å²	71.5	17%	0.171	39%	0.385	C	S	.	.	H	α-helix	trans	-65.8	-41.4	175.7	-178.4	-120.2	0	0	0	112.1	T812 Q818 L819 I824 I827 Y835	T812-F815 PolarHBondContact O-N 2.9Å; T812-F815 WeakPolarHBondContact OG1-CB 3.36Å; T812-F815 PolarHBondContact OG1-N 3.47Å; T812-F815 VanDerWaalsContact OG1-N 3.17Å; F815-Q818 PolarHBondContact O-N 3.47Å; F815-L819 HydrophobicContact CD1-CD1 3.99Å; F815-L819 HydrophobicContact CE1-CD1 3.67Å; F815-L819 HydrophobicContact CE2-CD1 4.4Å; F815-L819 HydrophobicContact CE2-CG 4.45Å; F815-L819 HydrophobicContact CG-CD1 4.5Å; F815-L819 HydrophobicContact CZ-CD1 3.89Å; F815-L819 HydrophobicContact CZ-CG 4.36Å; F815-L819 PolarHBondContact O-N 3.36Å; F815-I824 HydrophobicContact CD2-CD1 3.85Å; F815-I824 HydrophobicContact CE2-CD1 3.79Å; F815-I827 HydrophobicContact CZ-CD1 4.42Å; F815-Y835 HydrophobicContact CE1-CD1 4.46Å; F815-Y835 HydrophobicContact CE1-CD2 4Å; F815-Y835 HydrophobicContact CE1-CE2 4.09Å; F815-Y835 HydrophobicContact CE1-CG 4.22Å; F815-Y835 HydrophobicContact CZ-CD2 4.37Å; F815-Y835 HydrophobicContact CZ-CE2 4.01Å
816	W	78.9	Confident	66	Low	14 Å²	14	73.5 Å²	73.5	5%	0.053	39%	0.39	C	S	.	.	H	α-helix	trans	-60.2	-46.5	174.7	-177.7	-115.7	0	0	0	112.2	V811 T812 Q818 L819 M820 L832 H841 V844 Y847 W854	V811-W816 HydrophobicContact CG1-CB 3.98Å; V811-W816 HydrophobicContact CG1-CE3 4.25Å; T812-W816 PolarHBondContact O-N 3.06Å; W816-Q818 VanDerWaalsContact C-N 3.35Å; W816-Q818 PolarHBondContact O-N 3.22Å; W816-L819 PolarHBondContact O-N 3.31Å; W816-M820 HydrophobicContact CD2-CG 4.18Å; W816-M820 HydrophobicContact CH2-CG 4.48Å; W816-M820 HydrophobicContact CH2-SD 3.95Å; W816-M820 HydrophobicContact CZ2-CG 3.97Å; W816-M820 HydrophobicContact CZ2-SD 3.77Å; W816-M820 WeakPolarHBondContact O-CB 3.47Å; W816-M820 WeakPolarHBondContact O-CG 3.48Å; W816-M820 PolarHBondContact O-N 2.95Å; W816-L832 HydrophobicContact CE3-CD1 4.36Å; W816-L832 HydrophobicContact CZ3-CD1 4Å; W816-L832 HydrophobicContact CZ3-CD2 3.99Å; W816-H841 AromaticContact CD1-CE1 3.22Å; W816-H841 AromaticContact CD1-ND1 3.88Å; W816-H841 AromaticContact CD1-NE2 3.61Å; W816-H841 AromaticContact CG-CE1 3.7Å; W816-H841 AromaticContact CG-NE2 3.81Å; W816-H841 AromaticContact NE1-CE1 3.72Å; W816-V844 HydrophobicContact CD2-CG2 4.03Å; W816-V844 HydrophobicContact CE3-CG2 3.83Å; W816-V844 HydrophobicContact CH2-CB 4.18Å; W816-V844 HydrophobicContact CH2-CG1 3.73Å; W816-V844 HydrophobicContact CH2-CG2 3.69Å; W816-V844 HydrophobicContact CZ2-CB 4.49Å; W816-V844 HydrophobicContact CZ2-CG1 4.48Å; W816-V844 HydrophobicContact CZ2-CG2 3.85Å; W816-V844 HydrophobicContact CZ3-CB 4.44Å; W816-V844 HydrophobicContact CZ3-CG1 3.93Å; W816-V844 HydrophobicContact CZ3-CG2 3.66Å; W816-Y847 AromaticContact CH2-CD2 3.88Å; W816-Y847 HydrophobicContact CH2-CD2 3.88Å; W816-Y847 AromaticContact CH2-CE2 3.8Å; W816-Y847 HydrophobicContact CH2-CE2 3.8Å; W816-Y847 HydrophobicContact CZ2-CD2 4.23Å; W816-Y847 AromaticContact CZ2-CE2 3.85Å; W816-Y847 HydrophobicContact CZ2-CE2 3.85Å; W816-W854 HydrophobicContact CH2-CZ3 4.39Å; W816-W854 HydrophobicContact CZ3-CZ3 4.34Å
817	N	76.6	Confident	66.7	Low	86 Å²	86	71.3 Å²	71.3	46%	0.46	38%	0.378	S	S	.	.	H	α-helix	trans	-63.7	-38.2	175.7	-79.2	-59.7	0	0	0	112.4	V813 E814 M820 T821	V813-N817 WeakPolarHBondContact CG1-ND2 3.46Å; V813-N817 WeakPolarHBondContact O-CB 3.49Å; V813-N817 PolarHBondContact O-N 3.3Å; V813-N817 PolarHBondContact O-ND2 2.9Å; E814-N817 PolarHBondContact O-N 2.81Å; N817-M820 PolarHBondContact O-N 3.44Å; N817-T821 VanDerWaalsContact O-CB 3.31Å; N817-T821 WeakPolarHBondContact O-CB 3.33Å; N817-T821 PolarHBondContact O-N 2.86Å; N817-T821 PolarHBondContact O-OG1 2.86Å
818	Q	74.3	Confident	67.5	Low	86 Å²	86	75 Å²	75	40%	0.402	40%	0.402	S	S	.	.	H	α-helix	trans	-66.2	-37.9	176.5	-72	168.2	45.1	0	0	112.6	E814 F815 W816 S823 I824	E814-Q818 WeakPolarHBondContact O-CB 3.47Å; E814-Q818 WeakPolarHBondContact O-CG 3.44Å; E814-Q818 PolarHBondContact O-N 2.92Å; E814-Q818 PolarHBondContact O-NE2 2.97Å; F815-Q818 PolarHBondContact O-N 3.47Å; W816-Q818 VanDerWaalsContact C-N 3.35Å; W816-Q818 PolarHBondContact O-N 3.22Å; Q818-S823 WeakPolarHBondContact O-CB 3.43Å; Q818-S823 PolarHBondContact O-N 2.7Å; Q818-I824 HydrophobicContact CB-CD1 3.66Å; Q818-I824 HydrophobicContact CB-CG1 4.07Å
819	L	74.3	Confident	68.7	Low	12 Å²	12	69.1 Å²	69.1	6%	0.063	38%	0.375	C	S	.	.	H	α-helix	trans	-62.2	-54	170.6	-80.6	166.5	0	0	0	111.3	F815 W816 T821 N822 I827	F815-L819 HydrophobicContact CD1-CD1 3.99Å; F815-L819 HydrophobicContact CE1-CD1 3.67Å; F815-L819 HydrophobicContact CE2-CD1 4.4Å; F815-L819 HydrophobicContact CE2-CG 4.45Å; F815-L819 HydrophobicContact CG-CD1 4.5Å; F815-L819 HydrophobicContact CZ-CD1 3.89Å; F815-L819 HydrophobicContact CZ-CG 4.36Å; F815-L819 PolarHBondContact O-N 3.36Å; W816-L819 PolarHBondContact O-N 3.31Å; L819-T821 PolarHBondContact O-N 3.17Å; L819-N822 PolarHBondContact O-N 3.46Å; L819-I827 HydrophobicContact CD1-CD1 4.02Å; L819-I827 HydrophobicContact CD2-CD1 3.94Å; L819-I827 HydrophobicContact CD2-CG1 3.88Å; L819-I827 HydrophobicContact CD2-CG2 4.46Å
820	M	74.3	Confident	69.9	Low	77 Å²	77	63.8 Å²	63.8	38%	0.379	36%	0.355	S	S	.	.	H	α-helix	trans	-63.8	-26.9	-177.4	-70.4	-56.4	-54	0	0	113.6	W816 N817 N822 Y847	W816-M820 HydrophobicContact CD2-CG 4.18Å; W816-M820 HydrophobicContact CH2-CG 4.48Å; W816-M820 HydrophobicContact CH2-SD 3.95Å; W816-M820 HydrophobicContact CZ2-CG 3.97Å; W816-M820 HydrophobicContact CZ2-SD 3.77Å; W816-M820 WeakPolarHBondContact O-CB 3.47Å; W816-M820 WeakPolarHBondContact O-CG 3.48Å; W816-M820 PolarHBondContact O-N 2.95Å; N817-M820 PolarHBondContact O-N 3.44Å; M820-N822 VanDerWaalsContact C-N 3.3Å; M820-Y847 WeakPolarHBondContact CE-OH 3.35Å
821	T	70.3	Confident	70.7	Confident	96 Å²	96	64.8 Å²	64.8	59%	0.589	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.1	5.1	177.5	-44.8	0	0	0	0	112.7	N817 L819 S823	N817-T821 VanDerWaalsContact O-CB 3.31Å; N817-T821 WeakPolarHBondContact O-CB 3.33Å; N817-T821 PolarHBondContact O-N 2.86Å; N817-T821 PolarHBondContact O-OG1 2.86Å; L819-T821 PolarHBondContact O-N 3.17Å; T821-S823 PolarHBondContact O-N 2.68Å
822	N	62.1	Low	71.4	Confident	106 Å²	106	64.7 Å²	64.7	57%	0.567	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.2	29.2	-172.9	-58.4	-75.6	0	0	0	113.9	L819 M820 I824 Q826	L819-N822 PolarHBondContact O-N 3.46Å; M820-N822 VanDerWaalsContact C-N 3.3Å; N822-I824 VanDerWaalsContact C-N 3.25Å; N822-I824 PolarHBondContact O-N 2.95Å; N822-Q826 PolarHBondContact OD1-NE2 3.36Å; N822-Q826 VanDerWaalsContact OD1-NE2 3.12Å
823	S	53.5	Low	71.9	Confident	84 Å²	84	61.8 Å²	61.8	59%	0.587	34%	0.341	S	S	*	.			trans	-76.9	-14.4	178.4	-58.4	0	0	0	0	113	Q818 T821	Q818-S823 WeakPolarHBondContact O-CB 3.43Å; Q818-S823 PolarHBondContact O-N 2.7Å; T821-S823 PolarHBondContact O-N 2.68Å
824	I	58.4	Low	72.3	Confident	45 Å²	45	57.7 Å²	57.7	23%	0.231	32%	0.315	C	S	.	.	S	Bend	trans	-123	144.8	179.5	-56.8	175.3	0	0	0	107.3	F815 Q818 N822 Q826	F815-I824 HydrophobicContact CD2-CD1 3.85Å; F815-I824 HydrophobicContact CE2-CD1 3.79Å; Q818-I824 HydrophobicContact CB-CD1 3.66Å; Q818-I824 HydrophobicContact CB-CG1 4.07Å; N822-I824 VanDerWaalsContact C-N 3.25Å; N822-I824 PolarHBondContact O-N 2.95Å; I824-Q826 PolarHBondContact O-N 2.68Å
825	P	55.9	Low	72.6	Confident	115 Å²	115	52 Å²	52	75%	0.747	29%	0.288	S	S	*	.			trans	-52.8	132	169.7	-25.5	34.9	0	0	0	111.4	I827	P825-I827 PolarHBondContact O-N 3.07Å
826	Q	65.9	Low	72.8	Confident	105 Å²	105	50.2 Å²	50.2	49%	0.491	28%	0.28	S	S	.	.			trans	-58.3	112	-175.7	-74.2	-178.6	-12.7	0	0	111.5	N822 I824 N855	N822-Q826 PolarHBondContact OD1-NE2 3.36Å; N822-Q826 VanDerWaalsContact OD1-NE2 3.12Å; I824-Q826 PolarHBondContact O-N 2.68Å; Q826-N855 PolarHBondContact OE1-ND2 3.31Å; Q826-N855 PolarHBondContact OE1-OD1 3.49Å
827	I	73.3	Confident	72.7	Confident	28 Å²	28	50.1 Å²	50.1	14%	0.144	28%	0.28	C	S	.	.			trans	-67.1	151	173.2	65.6	179	0	0	0	110	F815 L819 P825 E831 L832 Y835 W854	F815-I827 HydrophobicContact CZ-CD1 4.42Å; L819-I827 HydrophobicContact CD1-CD1 4.02Å; L819-I827 HydrophobicContact CD2-CD1 3.94Å; L819-I827 HydrophobicContact CD2-CG1 3.88Å; L819-I827 HydrophobicContact CD2-CG2 4.46Å; P825-I827 PolarHBondContact O-N 3.07Å; I827-E831 HydrophobicContact CB-CB 4.13Å; I827-E831 HydrophobicContact CB-CG 4.38Å; I827-E831 HydrophobicContact CD1-CB 4.35Å; I827-E831 HydrophobicContact CG1-CB 4.46Å; I827-L832 HydrophobicContact CD1-CB 4.05Å; I827-Y835 HydrophobicContact CD1-CD2 4.48Å; I827-W854 HydrophobicContact CG1-CZ2 4.1Å; I827-W854 PolarHBondContact O-NE1 3.27Å
828	P	77.1	Confident	72.4	Confident	78 Å²	78	48.8 Å²	48.8	51%	0.506	27%	0.27	S	S	.	.			trans	-68.9	153	173.8	28.1	-31.6	0	0	0	110.5	S830 E831 L832	P828-S830 PolarHBondContact O-N 3.36Å; P828-S830 VanDerWaalsContact O-N 3.13Å; P828-E831 HydrophobicContact CG-CB 3.97Å; P828-E831 WeakPolarHBondContact O-CA 3.47Å; P828-E831 VanDerWaalsContact O-CB 3.26Å; P828-E831 WeakPolarHBondContact O-CB 3.33Å; P828-E831 PolarHBondContact O-N 3.05Å; P828-L832 PolarHBondContact O-N 3.18Å
829	F	79.1	Confident	72	Confident	18 Å²	18	48.7 Å²	48.7	8%	0.079	27%	0.269	C	S	.	.	H	α-helix	trans	-57.6	-33.2	-175.4	-175.2	-114.3	0	0	0	113.4	E831 L832 C833 W854 Q1333	F829-E831 PolarHBondContact O-N 3.47Å; F829-L832 HydrophobicContact CD2-CD2 4.33Å; F829-L832 HydrophobicContact CE2-CD2 4.36Å; F829-L832 PolarHBondContact O-N 3.18Å; F829-C833 WeakPolarHBondContact CE1-SG 3.44Å; F829-C833 PolarHBondContact O-N 3.34Å; F829-C833 PolarHBondContact O-SG 2.86Å; F829-C833 VanDerWaalsContact O-SG 3.37Å; F829-W854 HydrophobicContact CB-CB 3.9Å; F829-W854 HydrophobicContact CB-CG 3.71Å; F829-W854 HydrophobicContact CD2-CB 3.65Å; F829-W854 AromaticContact CD2-CD2 3.88Å; F829-W854 HydrophobicContact CD2-CD2 3.88Å; F829-W854 HydrophobicContact CD2-CE3 4.19Å; F829-W854 AromaticContact CD2-CG 3.65Å; F829-W854 HydrophobicContact CD2-CG 3.65Å; F829-W854 HydrophobicContact CE2-CB 4.5Å; F829-W854 HydrophobicContact CG-CB 4Å; F829-W854 HydrophobicContact CG-CG 4.09Å; F829-Q1333 HydrophobicContact CE1-CG 4.23Å
830	S	77.7	Confident	71.6	Confident	49 Å²	49	51.2 Å²	51.2	34%	0.343	28%	0.282	S	S	.	.	H	α-helix	trans	-60.1	-32.5	173.5	55.2	0	0	0	0	113.2	P828 R834 L1334	P828-S830 PolarHBondContact O-N 3.36Å; P828-S830 VanDerWaalsContact O-N 3.13Å; S830-R834 PolarHBondContact O-N 3.21Å; S830-L1334 WeakPolarHBondContact O-CD2 3.49Å
831	E	78.4	Confident	71.3	Confident	23 Å²	23	48.2 Å²	48.2	11%	0.107	27%	0.267	C	S	.	.	H	α-helix	trans	-75	-42.5	179.4	-159.2	58.8	-144.5	0	0	110.8	P804 I827 P828 F829 C833 R834 Y835	P804-E831 WeakPolarHBondContact CD-OE1 3.09Å; P804-E831 WeakPolarHBondContact CD-OE2 3.24Å; P804-E831 VanDerWaalsContact CG-CD 3.49Å; P804-E831 WeakPolarHBondContact CG-OE1 3.38Å; P804-E831 VanDerWaalsContact CG-OE2 3.3Å; P804-E831 WeakPolarHBondContact CG-OE2 3.04Å; I827-E831 HydrophobicContact CB-CB 4.13Å; I827-E831 HydrophobicContact CB-CG 4.38Å; I827-E831 HydrophobicContact CD1-CB 4.35Å; I827-E831 HydrophobicContact CG1-CB 4.46Å; P828-E831 HydrophobicContact CG-CB 3.97Å; P828-E831 WeakPolarHBondContact O-CA 3.47Å; P828-E831 VanDerWaalsContact O-CB 3.26Å; P828-E831 WeakPolarHBondContact O-CB 3.33Å; P828-E831 PolarHBondContact O-N 3.05Å; F829-E831 PolarHBondContact O-N 3.47Å; E831-C833 VanDerWaalsContact C-N 3.35Å; E831-C833 PolarHBondContact O-N 3.44Å; E831-R834 WeakPolarHBondContact O-CA 3.33Å; E831-R834 WeakPolarHBondContact O-CB 3.38Å; E831-R834 PolarHBondContact O-N 3.38Å; E831-R834 IonicContact OE1-CZ 2.68Å; E831-R834 IonicContact OE1-NE 3.56Å; E831-R834 PolarHBondContact OE1-NE 2.97Å; E831-R834 IonicContact OE1-NH2 2.78Å; E831-R834 PolarHBondContact OE1-NH2 3.46Å; E831-R834 IonicContact OE2-NE 3.15Å; E831-Y835 HydrophobicContact CG-CE2 4.1Å; E831-Y835 WeakPolarHBondContact O-CD2 3.42Å; E831-Y835 PolarHBondContact O-N 3.13Å; E831-Y835 VanDerWaalsContact O-N 3.09Å
832	L	81.5	Confident	71.3	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-57.2	-48.4	170.2	174.7	62.8	0	0	0	111	V811 W816 I827 P828 F829 R834 Y835 I836 V844 W854	V811-L832 HydrophobicContact CG2-CD1 4.29Å; W816-L832 HydrophobicContact CE3-CD1 4.36Å; W816-L832 HydrophobicContact CZ3-CD1 4Å; W816-L832 HydrophobicContact CZ3-CD2 3.99Å; I827-L832 HydrophobicContact CD1-CB 4.05Å; P828-L832 PolarHBondContact O-N 3.18Å; F829-L832 HydrophobicContact CD2-CD2 4.33Å; F829-L832 HydrophobicContact CE2-CD2 4.36Å; F829-L832 PolarHBondContact O-N 3.18Å; L832-R834 PolarHBondContact O-N 2.77Å; L832-Y835 PolarHBondContact O-N 3.2Å; L832-I836 HydrophobicContact CD1-CD1 3.88Å; L832-I836 HydrophobicContact CD1-CG1 4.22Å; L832-I836 HydrophobicContact CD2-CD1 4.37Å; L832-I836 HydrophobicContact CG-CD1 3.74Å; L832-I836 HydrophobicContact CG-CG1 4.46Å; L832-I836 WeakPolarHBondContact O-CG1 3.38Å; L832-I836 PolarHBondContact O-N 3.42Å; L832-V844 HydrophobicContact CD2-CG1 4.04Å; L832-W854 HydrophobicContact CD2-CD2 4.38Å; L832-W854 HydrophobicContact CD2-CE3 3.81Å; L832-W854 HydrophobicContact CD2-CH2 3.62Å; L832-W854 HydrophobicContact CD2-CZ2 4.17Å; L832-W854 HydrophobicContact CD2-CZ3 3.41Å; L832-W854 VanDerWaalsContact CD2-CZ3 3.41Å
833	C	80.4	Confident	72	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-59.1	-30.7	174.9	-67.7	0	0	0	0	112.3	F829 E831 I836 Y837 A1330 L1334	F829-C833 WeakPolarHBondContact CE1-SG 3.44Å; F829-C833 PolarHBondContact O-N 3.34Å; F829-C833 PolarHBondContact O-SG 2.86Å; F829-C833 VanDerWaalsContact O-SG 3.37Å; E831-C833 VanDerWaalsContact C-N 3.35Å; E831-C833 PolarHBondContact O-N 3.44Å; C833-I836 PolarHBondContact O-N 3.11Å; C833-Y837 VanDerWaalsContact O-CB 3.3Å; C833-Y837 WeakPolarHBondContact O-CB 3.48Å; C833-Y837 PolarHBondContact O-N 3.18Å; C833-A1330 HydrophobicContact CB-CB 4.23Å; C833-A1330 WeakPolarHBondContact O-CB 3.34Å; C833-L1334 VanDerWaalsContact C-CD1 3.47Å; C833-L1334 HydrophobicContact CB-CD1 3.51Å; C833-L1334 HydrophobicContact CB-CD2 4.18Å; C833-L1334 HydrophobicContact CB-CG 3.82Å
834	R	79.3	Confident	73.5	Confident	5 Å²	5	41.3 Å²	41.3	2%	0.019	22%	0.224	C	C	.	.	H	α-helix	trans	-69.4	-41.3	177.7	-169.8	177.6	73.1	87.4	13.9	111.4	L799 T800 V801 S803 T805 S830 E831 L832 Y837 F838 L1334	L799-R834 HydrophobicContact CD2-CB 4.28Å; L799-R834 HydrophobicContact CD2-CG 3.85Å; T800-R834 PolarHBondContact O-NH1 3.33Å; V801-R834 PolarHBondContact O-NH1 3.4Å; S803-R834 PolarHBondContact O-NH1 2.87Å; T805-R834 VanDerWaalsContact O-CZ 3.27Å; T805-R834 PolarHBondContact O-NH1 3.21Å; T805-R834 PolarHBondContact O-NH2 3.04Å; T805-R834 PolarHBondContact OG1-NH2 3.04Å; T805-R834 VanDerWaalsContact OG1-NH2 3.08Å; S830-R834 PolarHBondContact O-N 3.21Å; E831-R834 WeakPolarHBondContact O-CA 3.33Å; E831-R834 WeakPolarHBondContact O-CB 3.38Å; E831-R834 PolarHBondContact O-N 3.38Å; E831-R834 IonicContact OE1-CZ 2.68Å; E831-R834 IonicContact OE1-NE 3.56Å; E831-R834 PolarHBondContact OE1-NE 2.97Å; E831-R834 IonicContact OE1-NH2 2.78Å; E831-R834 PolarHBondContact OE1-NH2 3.46Å; E831-R834 IonicContact OE2-NE 3.15Å; L832-R834 PolarHBondContact O-N 2.77Å; R834-Y837 PolarHBondContact O-N 3.22Å; R834-F838 HydrophobicContact CG-CE2 4.34Å; R834-F838 WeakPolarHBondContact O-CD2 3.18Å; R834-L1334 HydrophobicContact CB-CD1 4.42Å
835	Y	78.2	Confident	75.1	Confident	27 Å²	27	39.2 Å²	39.2	11%	0.106	21%	0.213	C	C	.	.	H	α-helix	trans	-63.5	-45	172	-73.1	-76.4	0	0	0	111.9	T805 N806 A807 G810 V811 F815 I827 E831 L832 Y837 F838 E839	T805-Y835 WeakPolarHBondContact CB-OH 3.34Å; T805-Y835 PolarHBondContact OG1-OH 2.89Å; N806-Y835 VanDerWaalsContact O-CE1 3.31Å; N806-Y835 WeakPolarHBondContact O-CE1 3.32Å; N806-Y835 PolarHBondContact O-OH 3.38Å; A807-Y835 HydrophobicContact CB-CD1 3.79Å; A807-Y835 HydrophobicContact CB-CE1 3.99Å; A807-Y835 HydrophobicContact CB-CG 4.47Å; G810-Y835 WeakPolarHBondContact O-CD1 3.37Å; V811-Y835 VanDerWaalsContact CG2-CB 3.46Å; F815-Y835 HydrophobicContact CE1-CD1 4.46Å; F815-Y835 HydrophobicContact CE1-CD2 4Å; F815-Y835 HydrophobicContact CE1-CE2 4.09Å; F815-Y835 HydrophobicContact CE1-CG 4.22Å; F815-Y835 HydrophobicContact CZ-CD2 4.37Å; F815-Y835 HydrophobicContact CZ-CE2 4.01Å; I827-Y835 HydrophobicContact CD1-CD2 4.48Å; E831-Y835 HydrophobicContact CG-CE2 4.1Å; E831-Y835 WeakPolarHBondContact O-CD2 3.42Å; E831-Y835 PolarHBondContact O-N 3.13Å; E831-Y835 VanDerWaalsContact O-N 3.09Å; L832-Y835 PolarHBondContact O-N 3.2Å; Y835-Y837 VanDerWaalsContact C-N 3.27Å; Y835-Y837 PolarHBondContact O-N 2.79Å; Y835-F838 PolarHBondContact O-N 3.07Å; Y835-E839 PolarHBondContact O-N 2.89Å
836	I	79.7	Confident	76.7	Confident	0 Å²	0	34 Å²	34	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-63.3	-31.8	178.9	-64.4	168.5	0	0	0	112.5	V811 L832 C833 F838 E839 V844 L848 E1326 A1330	V811-I836 HydrophobicContact CG2-CG1 3.76Å; L832-I836 HydrophobicContact CD1-CD1 3.88Å; L832-I836 HydrophobicContact CD1-CG1 4.22Å; L832-I836 HydrophobicContact CD2-CD1 4.37Å; L832-I836 HydrophobicContact CG-CD1 3.74Å; L832-I836 HydrophobicContact CG-CG1 4.46Å; L832-I836 WeakPolarHBondContact O-CG1 3.38Å; L832-I836 PolarHBondContact O-N 3.42Å; C833-I836 PolarHBondContact O-N 3.11Å; I836-F838 PolarHBondContact O-N 2.61Å; I836-F838 VanDerWaalsContact O-N 3.14Å; I836-E839 VanDerWaalsContact CA-O 3.28Å; I836-E839 WeakPolarHBondContact CA-O 3.31Å; I836-V844 HydrophobicContact CD1-CB 4.08Å; I836-V844 HydrophobicContact CD1-CG1 3.61Å; I836-V844 HydrophobicContact CD1-CG2 4.36Å; I836-L848 HydrophobicContact CD1-CD1 4.39Å; I836-L848 HydrophobicContact CD1-CD2 3.85Å; I836-L848 HydrophobicContact CD1-CG 4.26Å; I836-L848 HydrophobicContact CG2-CD1 4.08Å; I836-L848 HydrophobicContact CG2-CD2 4.32Å; I836-E1326 HydrophobicContact CG2-CB 3.98Å; I836-A1330 HydrophobicContact CB-CB 4.2Å; I836-A1330 HydrophobicContact CG2-CB 3.95Å
837	Y	77	Confident	77.8	Confident	13 Å²	13	29.9 Å²	29.9	5%	0.051	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-9.7	176	-177.2	-108.9	0	0	0	113.3	C833 R834 Y835 T1327 V1335 F1339 R1386	C833-Y837 VanDerWaalsContact O-CB 3.3Å; C833-Y837 WeakPolarHBondContact O-CB 3.48Å; C833-Y837 PolarHBondContact O-N 3.18Å; R834-Y837 PolarHBondContact O-N 3.22Å; Y835-Y837 VanDerWaalsContact C-N 3.27Å; Y835-Y837 PolarHBondContact O-N 2.79Å; Y837-T1327 HydrophobicContact CD2-CG2 3.62Å; Y837-T1327 HydrophobicContact CE2-CG2 3.82Å; Y837-V1335 HydrophobicContact CE2-CG2 4.29Å; Y837-F1339 HydrophobicContact CE2-CD2 4.42Å; Y837-F1339 AromaticContact CE2-CE2 3.92Å; Y837-F1339 HydrophobicContact CE2-CE2 3.92Å; Y837-F1339 HydrophobicContact CE2-CZ 4.42Å; Y837-R1386 HydrophobicContact CE1-CG 4.08Å; Y837-R1386 HydrophobicContact CE2-CG 4.24Å; Y837-R1386 VanDerWaalsContact O-CZ 3.28Å; Y837-R1386 PolarHBondContact O-NE 2.89Å; Y837-R1386 PolarHBondContact O-NH2 3.44Å; Y837-R1386 WeakPolarHBondContact OH-CG 3.19Å
838	F	69.1	Low	78.5	Confident	58 Å²	58	28.6 Å²	28.6	25%	0.254	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-115.9	-43.3	175.5	-64.6	-67.5	0	0	0	114.2	V801 A807 R834 Y835 I836	V801-F838 HydrophobicContact CG2-CE1 4.11Å; V801-F838 HydrophobicContact CG2-CE2 4.49Å; V801-F838 HydrophobicContact CG2-CZ 3.86Å; A807-F838 HydrophobicContact CB-CD2 3.8Å; A807-F838 HydrophobicContact CB-CE2 4.29Å; R834-F838 HydrophobicContact CG-CE2 4.34Å; R834-F838 WeakPolarHBondContact O-CD2 3.18Å; Y835-F838 PolarHBondContact O-N 3.07Å; I836-F838 PolarHBondContact O-N 2.61Å; I836-F838 VanDerWaalsContact O-N 3.14Å
839	E	67.2	Low	79.1	Confident	83 Å²	83	25 Å²	25	39%	0.388	13%	0.129	S	C	.	.	S	Bend	trans	-136.6	160.2	176.2	-146	-168.9	-132.1	0	0	112.6	Y835 I836	Y835-E839 PolarHBondContact O-N 2.89Å; I836-E839 VanDerWaalsContact CA-O 3.28Å; I836-E839 WeakPolarHBondContact CA-O 3.31Å
840	I	64.5	Low	79.4	Confident	65 Å²	65	24.9 Å²	24.9	33%	0.333	13%	0.133	S	C	.	.			trans	-119.8	132.7	-143.9	-59.9	140.3	0	0	0	110.7	P1323 E1326	I840-P1323 HydrophobicContact CD1-CB 3.62Å; I840-P1323 HydrophobicContact CD1-CG 3.89Å; I840-P1323 HydrophobicContact CG1-CB 4.19Å; I840-E1326 WeakPolarHBondContact CA-OE2 3.34Å; I840-E1326 WeakPolarHBondContact CG2-OE2 3.47Å
841	H	69.5	Low	79.8	Confident	14 Å²	14	23.3 Å²	23.3	7%	0.065	12%	0.121	C	C	.	.			trans	-146.4	106.5	-177.5	-161.7	-68.3	0	0	0	112.6	V811 W816 D843 V844 E1326	V811-H841 HydrophobicContact CB-CB 4.19Å; V811-H841 HydrophobicContact CG1-CB 3.96Å; V811-H841 PolarHBondContact O-CD2 3.12Å; W816-H841 AromaticContact CD1-CE1 3.22Å; W816-H841 AromaticContact CD1-ND1 3.88Å; W816-H841 AromaticContact CD1-NE2 3.61Å; W816-H841 AromaticContact CG-CE1 3.7Å; W816-H841 AromaticContact CG-NE2 3.81Å; W816-H841 AromaticContact NE1-CE1 3.72Å; H841-D843 VanDerWaalsContact C-N 3.27Å; H841-D843 IonicContact CE1-OD2 3.25Å; H841-D843 PolarHBondContact O-N 3.29Å; H841-D843 VanDerWaalsContact O-N 3.1Å; H841-V844 HydrophobicContact CB-CG2 3.97Å; H841-V844 WeakPolarHBondContact O-CG2 3.49Å; H841-V844 PolarHBondContact O-N 3.1Å; H841-V844 VanDerWaalsContact O-N 3.14Å; H841-E1326 PolarHBondContact N-OE2 3.09Å
842	S	70.2	Confident	80.3	Confident	46 Å²	46	23 Å²	23	32%	0.322	12%	0.119	S	C	.	.	G	3₁₀ helix	trans	-53.2	-36.5	-173.4	52.9	0	0	0	0	115.2	V844 W845	S842-V844 PolarHBondContact O-N 2.99Å; S842-V844 VanDerWaalsContact O-N 3.12Å; S842-W845 VanDerWaalsContact O-CG 3.3Å; S842-W845 PolarHBondContact O-N 3.04Å
843	D	76.6	Confident	80.4	Confident	96 Å²	96	25.4 Å²	25.4	51%	0.513	13%	0.133	S	C	.	.	G	3₁₀ helix	trans	-71.2	-10.8	-173.2	-57.8	-6.3	0	0	0	113.1	H841 W845 P846	H841-D843 VanDerWaalsContact C-N 3.27Å; H841-D843 IonicContact CE1-OD2 3.25Å; H841-D843 PolarHBondContact O-N 3.29Å; H841-D843 VanDerWaalsContact O-N 3.1Å; D843-W845 VanDerWaalsContact C-N 3.34Å; D843-P846 WeakPolarHBondContact O-CD 3.32Å
844	V	85.5	Confident	80.4	Confident	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.142	C	C	.	.	G	3₁₀ helix	trans	-85.6	-7.7	-178.8	-157.8	0	0	0	0	112.5	W816 L832 I836 H841 S842 P846 Y847 L848	W816-V844 HydrophobicContact CD2-CG2 4.03Å; W816-V844 HydrophobicContact CE3-CG2 3.83Å; W816-V844 HydrophobicContact CH2-CB 4.18Å; W816-V844 HydrophobicContact CH2-CG1 3.73Å; W816-V844 HydrophobicContact CH2-CG2 3.69Å; W816-V844 HydrophobicContact CZ2-CB 4.49Å; W816-V844 HydrophobicContact CZ2-CG1 4.48Å; W816-V844 HydrophobicContact CZ2-CG2 3.85Å; W816-V844 HydrophobicContact CZ3-CB 4.44Å; W816-V844 HydrophobicContact CZ3-CG1 3.93Å; W816-V844 HydrophobicContact CZ3-CG2 3.66Å; L832-V844 HydrophobicContact CD2-CG1 4.04Å; I836-V844 HydrophobicContact CD1-CB 4.08Å; I836-V844 HydrophobicContact CD1-CG1 3.61Å; I836-V844 HydrophobicContact CD1-CG2 4.36Å; H841-V844 HydrophobicContact CB-CG2 3.97Å; H841-V844 WeakPolarHBondContact O-CG2 3.49Å; H841-V844 PolarHBondContact O-N 3.1Å; H841-V844 VanDerWaalsContact O-N 3.14Å; S842-V844 PolarHBondContact O-N 2.99Å; S842-V844 VanDerWaalsContact O-N 3.12Å; V844-P846 VanDerWaalsContact C-CD 3.49Å; V844-Y847 HydrophobicContact CG1-CD2 4.14Å; V844-Y847 HydrophobicContact CG1-CG 4.49Å; V844-Y847 PolarHBondContact O-N 2.83Å; V844-L848 HydrophobicContact CG1-CG 4.33Å; V844-L848 PolarHBondContact O-N 3.2Å
845	W	90.5	Very high	80.3	Confident	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-49.8	-43.8	-179.1	-74.6	33.4	0	0	0	114.1	S842 D843 Y847 L848 L849 P1068 I1069 I1072 F1322 W1325 E1326 W1329	S842-W845 VanDerWaalsContact O-CG 3.3Å; S842-W845 PolarHBondContact O-N 3.04Å; D843-W845 VanDerWaalsContact C-N 3.34Å; W845-Y847 VanDerWaalsContact C-N 3.3Å; W845-Y847 PolarHBondContact O-N 2.61Å; W845-L848 PolarHBondContact O-N 3.39Å; W845-L849 WeakPolarHBondContact O-CB 3.03Å; W845-L849 VanDerWaalsContact O-CG 3.31Å; W845-L849 WeakPolarHBondContact O-CG 3.12Å; W845-L849 PolarHBondContact O-N 2.16Å; W845-P1068 HydrophobicContact CH2-CB 4.11Å; W845-P1068 HydrophobicContact CZ3-CB 4.42Å; W845-I1069 HydrophobicContact CE3-CG1 4.45Å; W845-I1069 HydrophobicContact CE3-CG2 4.41Å; W845-I1069 HydrophobicContact CZ3-CB 4.25Å; W845-I1069 HydrophobicContact CZ3-CG1 3.99Å; W845-I1072 HydrophobicContact CD2-CG2 4.3Å; W845-I1072 HydrophobicContact CE3-CB 4.48Å; W845-I1072 HydrophobicContact CE3-CG2 4.5Å; W845-I1072 HydrophobicContact CH2-CG1 3.97Å; W845-I1072 HydrophobicContact CZ2-CG1 4.02Å; W845-I1072 HydrophobicContact CZ3-CB 4.5Å; W845-I1072 HydrophobicContact CZ3-CG1 4.25Å; W845-F1322 AromaticContact CH2-CD1 3.7Å; W845-F1322 HydrophobicContact CH2-CD1 3.7Å; W845-F1322 HydrophobicContact CH2-CE1 4.27Å; W845-F1322 HydrophobicContact CZ2-CB 4.03Å; W845-F1322 AromaticContact CZ2-CD1 3.7Å; W845-F1322 HydrophobicContact CZ2-CD1 3.7Å; W845-F1322 HydrophobicContact CZ2-CG 4.22Å; W845-W1325 AromaticContact CH2-CE3 3.89Å; W845-W1325 HydrophobicContact CH2-CE3 3.89Å; W845-W1325 HydrophobicContact CH2-CZ3 4.43Å; W845-W1325 HydrophobicContact CZ3-CE3 4.17Å; W845-W1325 HydrophobicContact CZ3-CZ3 4.43Å; W845-E1326 PolarHBondContact NE1-OE1 3.17Å; W845-W1329 HydrophobicContact CB-CZ3 4.25Å; W845-W1329 AromaticContact CD2-CH2 3.89Å; W845-W1329 HydrophobicContact CD2-CH2 3.89Å; W845-W1329 AromaticContact CD2-CZ3 3.52Å; W845-W1329 HydrophobicContact CD2-CZ3 3.52Å; W845-W1329 AromaticContact CE2-CZ3 3.87Å; W845-W1329 AromaticContact CE3-CH2 3.63Å; W845-W1329 HydrophobicContact CE3-CH2 3.63Å; W845-W1329 AromaticContact CE3-CZ3 3.75Å; W845-W1329 HydrophobicContact CE3-CZ3 3.75Å; W845-W1329 AromaticContact CG-CZ3 3.74Å; W845-W1329 HydrophobicContact CG-CZ3 3.74Å; W845-W1329 HydrophobicContact CH2-CH2 4.13Å; W845-W1329 HydrophobicContact CZ2-CH2 4.38Å; W845-W1329 HydrophobicContact CZ2-CZ3 4.37Å; W845-W1329 AromaticContact CZ3-CH2 3.75Å; W845-W1329 HydrophobicContact CZ3-CH2 3.75Å; W845-W1329 HydrophobicContact CZ3-CZ3 4.26Å
846	P	90.3	Very high	80.5	Confident	7 Å²	7	30.6 Å²	30.6	5%	0.045	16%	0.162	C	C	.	.	H	α-helix	trans	-62.1	-30.4	175.6	-26.2	37.8	0	0	0	114.8	D843 V844 G850 L851 Y852	D843-P846 WeakPolarHBondContact O-CD 3.32Å; V844-P846 VanDerWaalsContact C-CD 3.49Å; P846-G850 PolarHBondContact O-N 3.44Å; P846-L851 HydrophobicContact CB-CB 4.38Å; P846-L851 HydrophobicContact CB-CD2 4.38Å; P846-L851 WeakPolarHBondContact O-CA 3.25Å; P846-L851 WeakPolarHBondContact O-CB 3.48Å; P846-L851 PolarHBondContact O-N 3.31Å; P846-Y852 HydrophobicContact CB-CD2 3.42Å; P846-Y852 VanDerWaalsContact CB-CD2 3.42Å; P846-Y852 HydrophobicContact CB-CE2 3.49Å; P846-Y852 VanDerWaalsContact CB-CE2 3.49Å; P846-Y852 HydrophobicContact CB-CG 4.01Å; P846-Y852 HydrophobicContact CG-CD2 4.39Å; P846-Y852 HydrophobicContact CG-CE2 4.05Å; P846-Y852 PolarHBondContact O-N 2.87Å; P846-Y852 VanDerWaalsContact O-N 3.07Å
847	Y	88.7	Confident	80.6	Confident	18 Å²	18	33.9 Å²	33.9	7%	0.071	18%	0.182	C	C	.	.	H	α-helix	trans	-80.7	-42.8	176.5	-60.3	-85.3	0	0	0	111.1	W816 M820 V844 W845 L849 G850 Y852 W854 L861	W816-Y847 AromaticContact CH2-CD2 3.88Å; W816-Y847 HydrophobicContact CH2-CD2 3.88Å; W816-Y847 AromaticContact CH2-CE2 3.8Å; W816-Y847 HydrophobicContact CH2-CE2 3.8Å; W816-Y847 HydrophobicContact CZ2-CD2 4.23Å; W816-Y847 AromaticContact CZ2-CE2 3.85Å; W816-Y847 HydrophobicContact CZ2-CE2 3.85Å; M820-Y847 WeakPolarHBondContact CE-OH 3.35Å; V844-Y847 HydrophobicContact CG1-CD2 4.14Å; V844-Y847 HydrophobicContact CG1-CG 4.49Å; V844-Y847 PolarHBondContact O-N 2.83Å; W845-Y847 VanDerWaalsContact C-N 3.3Å; W845-Y847 PolarHBondContact O-N 2.61Å; Y847-L849 PolarHBondContact O-N 3.01Å; Y847-G850 PolarHBondContact O-N 3.04Å; Y847-G850 VanDerWaalsContact O-N 3.13Å; Y847-Y852 HydrophobicContact CD1-CD2 4.3Å; Y847-Y852 HydrophobicContact CD1-CG 4.46Å; Y847-Y852 HydrophobicContact CD2-CD2 4.25Å; Y847-Y852 AromaticContact CE1-CD2 3.94Å; Y847-Y852 HydrophobicContact CE1-CD2 3.94Å; Y847-Y852 HydrophobicContact CE1-CG 4.25Å; Y847-Y852 AromaticContact CE2-CD2 3.9Å; Y847-Y852 HydrophobicContact CE2-CD2 3.9Å; Y847-Y852 HydrophobicContact CG-CD2 4.45Å; Y847-Y852 AromaticContact CZ-CD2 3.74Å; Y847-W854 HydrophobicContact CD1-CE3 4.1Å; Y847-W854 HydrophobicContact CE1-CE3 4.43Å; Y847-L861 HydrophobicContact CE1-CD2 4.47Å; Y847-L861 WeakPolarHBondContact OH-CD1 3.03Å
848	L	88.1	Confident	80.8	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-58.6	-46.5	176.1	-72.1	173.8	0	0	0	111.7	I836 V844 W845 G850 W1089 E1326 W1329 A1330	I836-L848 HydrophobicContact CD1-CD1 4.39Å; I836-L848 HydrophobicContact CD1-CD2 3.85Å; I836-L848 HydrophobicContact CD1-CG 4.26Å; I836-L848 HydrophobicContact CG2-CD1 4.08Å; I836-L848 HydrophobicContact CG2-CD2 4.32Å; V844-L848 HydrophobicContact CG1-CG 4.33Å; V844-L848 PolarHBondContact O-N 3.2Å; W845-L848 PolarHBondContact O-N 3.39Å; L848-G850 PolarHBondContact O-N 2.72Å; L848-W1089 WeakPolarHBondContact O-CH2 3.48Å; L848-E1326 HydrophobicContact CD1-CB 4.29Å; L848-E1326 HydrophobicContact CD1-CG 4.02Å; L848-W1329 HydrophobicContact CB-CB 4.07Å; L848-W1329 HydrophobicContact CB-CE3 4.05Å; L848-W1329 HydrophobicContact CD1-CE3 4.1Å; L848-A1330 HydrophobicContact CD2-CB 4.32Å
849	L	89.5	Confident	81.4	Confident	3 Å²	3	43 Å²	43	2%	0.016	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-11.4	178.5	-67.5	170.6	0	0	0	113.5	W845 Y847 C1082 C1085 L1086 W1089 W1329	W845-L849 WeakPolarHBondContact O-CB 3.03Å; W845-L849 VanDerWaalsContact O-CG 3.31Å; W845-L849 WeakPolarHBondContact O-CG 3.12Å; W845-L849 PolarHBondContact O-N 2.16Å; Y847-L849 PolarHBondContact O-N 3.01Å; L849-C1082 HydrophobicContact CD1-CB 3.69Å; L849-C1085 HydrophobicContact CB-CB 4.2Å; L849-C1085 WeakPolarHBondContact O-CB 3.32Å; L849-L1086 HydrophobicContact CD2-CB 4.1Å; L849-L1086 HydrophobicContact CD2-CD1 4.17Å; L849-W1089 HydrophobicContact CD2-CH2 4.28Å; L849-W1089 HydrophobicContact CD2-CZ3 3.89Å; L849-W1329 HydrophobicContact CD1-CH2 4.18Å; L849-W1329 HydrophobicContact CD1-CZ3 4.23Å; L849-W1329 HydrophobicContact CD2-CD2 3.9Å; L849-W1329 HydrophobicContact CD2-CE3 4.11Å; L849-W1329 HydrophobicContact CD2-CH2 4.08Å; L849-W1329 HydrophobicContact CD2-CZ2 3.87Å; L849-W1329 HydrophobicContact CD2-CZ3 4.2Å; L849-W1329 HydrophobicContact CG-CD2 4.44Å; L849-W1329 HydrophobicContact CG-CE3 4.16Å; L849-W1329 HydrophobicContact CG-CH2 4.31Å; L849-W1329 HydrophobicContact CG-CZ3 4.09Å
850	G	85.8	Confident	82.3	Confident	16 Å²	16	43.6 Å²	43.6	17%	0.165	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.3	36.3	-176.8	0	0	0	0	0	113.6	P846 Y847 L848 Y1243	P846-G850 PolarHBondContact O-N 3.44Å; Y847-G850 PolarHBondContact O-N 3.04Å; Y847-G850 VanDerWaalsContact O-N 3.13Å; L848-G850 PolarHBondContact O-N 2.72Å; G850-Y1243 VanDerWaalsContact C-OH 3.23Å; G850-Y1243 PolarHBondContact O-OH 2.76Å
851	L	87	Confident	83.4	Confident	16 Å²	16	41.4 Å²	41.4	8%	0.084	23%	0.229	C	C	.	.	S	Bend	trans	-79.1	-38.2	161.3	175.3	58.3	0	0	0	110.5	P846 V864 Q868 A1081	P846-L851 HydrophobicContact CB-CB 4.38Å; P846-L851 HydrophobicContact CB-CD2 4.38Å; P846-L851 WeakPolarHBondContact O-CA 3.25Å; P846-L851 WeakPolarHBondContact O-CB 3.48Å; P846-L851 PolarHBondContact O-N 3.31Å; L851-V864 HydrophobicContact CD1-CG1 4.21Å; L851-Q868 HydrophobicContact CD1-CG 4.16Å; L851-A1081 HydrophobicContact CD1-CB 3.76Å; L851-A1081 HydrophobicContact CD2-CB 3.67Å; L851-A1081 HydrophobicContact CG-CB 4.38Å
852	Y	88.1	Confident	84.3	Confident	15 Å²	15	45 Å²	45	6%	0.059	25%	0.249	C	C	.	.	S	Bend	trans	-109.6	134	176.9	-61.9	-23.3	0	0	0	111.1	P846 Y847 L861 V864 N865 K1078 Y1243	P846-Y852 HydrophobicContact CB-CD2 3.42Å; P846-Y852 VanDerWaalsContact CB-CD2 3.42Å; P846-Y852 HydrophobicContact CB-CE2 3.49Å; P846-Y852 VanDerWaalsContact CB-CE2 3.49Å; P846-Y852 HydrophobicContact CB-CG 4.01Å; P846-Y852 HydrophobicContact CG-CD2 4.39Å; P846-Y852 HydrophobicContact CG-CE2 4.05Å; P846-Y852 PolarHBondContact O-N 2.87Å; P846-Y852 VanDerWaalsContact O-N 3.07Å; Y847-Y852 HydrophobicContact CD1-CD2 4.3Å; Y847-Y852 HydrophobicContact CD1-CG 4.46Å; Y847-Y852 HydrophobicContact CD2-CD2 4.25Å; Y847-Y852 AromaticContact CE1-CD2 3.94Å; Y847-Y852 HydrophobicContact CE1-CD2 3.94Å; Y847-Y852 HydrophobicContact CE1-CG 4.25Å; Y847-Y852 AromaticContact CE2-CD2 3.9Å; Y847-Y852 HydrophobicContact CE2-CD2 3.9Å; Y847-Y852 HydrophobicContact CG-CD2 4.45Å; Y847-Y852 AromaticContact CZ-CD2 3.74Å; Y852-L861 HydrophobicContact CD1-CD2 3.65Å; Y852-L861 HydrophobicContact CD2-CD2 3.81Å; Y852-L861 HydrophobicContact CE1-CD2 4.21Å; Y852-L861 HydrophobicContact CE2-CD2 4.36Å; Y852-L861 HydrophobicContact CG-CD2 3.44Å; Y852-L861 VanDerWaalsContact CG-CD2 3.44Å; Y852-V864 HydrophobicContact CD1-CG1 4.44Å; Y852-V864 HydrophobicContact CE1-CG1 4.46Å; Y852-N865 WeakPolarHBondContact CE1-OD1 3.28Å; Y852-N865 PolarHBondContact OH-ND2 3.01Å; Y852-N865 PolarHBondContact OH-OD1 3.14Å; Y852-K1078 WeakPolarHBondContact OH-CE 3.39Å; Y852-Y1243 PolarHBondContact O-OH 3.44Å
853	T	83.6	Confident	85.3	Confident	51 Å²	51	48.3 Å²	48.3	31%	0.313	26%	0.259	S	S	.	.			trans	-76	137.8	170.7	49.3	0	0	0	0	109.7	S856 Y1243	T853-S856 WeakPolarHBondContact O-CB 3.47Å; T853-S856 PolarHBondContact O-N 2.97Å; T853-S856 PolarHBondContact O-OG 3.12Å; T853-S856 PolarHBondContact OG1-OG 3.34Å; T853-Y1243 HydrophobicContact CG2-CD1 4.27Å; T853-Y1243 HydrophobicContact CG2-CD2 4.18Å; T853-Y1243 HydrophobicContact CG2-CE1 3.74Å; T853-Y1243 HydrophobicContact CG2-CE2 3.65Å; T853-Y1243 HydrophobicContact CG2-CG 4.48Å; T853-Y1243 VanDerWaalsContact CG2-CZ 3.4Å; T853-Y1243 PolarHBondContact N-OH 3.03Å
854	W	80.5	Confident	85.9	Confident	48 Å²	48	45.8 Å²	45.8	18%	0.182	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	142.9	175.4	-171.9	-116.9	0	0	0	111	W816 I827 F829 L832 Y847 S856	W816-W854 HydrophobicContact CH2-CZ3 4.39Å; W816-W854 HydrophobicContact CZ3-CZ3 4.34Å; I827-W854 HydrophobicContact CG1-CZ2 4.1Å; I827-W854 PolarHBondContact O-NE1 3.27Å; F829-W854 HydrophobicContact CB-CB 3.9Å; F829-W854 HydrophobicContact CB-CG 3.71Å; F829-W854 HydrophobicContact CD2-CB 3.65Å; F829-W854 AromaticContact CD2-CD2 3.88Å; F829-W854 HydrophobicContact CD2-CD2 3.88Å; F829-W854 HydrophobicContact CD2-CE3 4.19Å; F829-W854 AromaticContact CD2-CG 3.65Å; F829-W854 HydrophobicContact CD2-CG 3.65Å; F829-W854 HydrophobicContact CE2-CB 4.5Å; F829-W854 HydrophobicContact CG-CB 4Å; F829-W854 HydrophobicContact CG-CG 4.09Å; L832-W854 HydrophobicContact CD2-CD2 4.38Å; L832-W854 HydrophobicContact CD2-CE3 3.81Å; L832-W854 HydrophobicContact CD2-CH2 3.62Å; L832-W854 HydrophobicContact CD2-CZ2 4.17Å; L832-W854 HydrophobicContact CD2-CZ3 3.41Å; L832-W854 VanDerWaalsContact CD2-CZ3 3.41Å; Y847-W854 HydrophobicContact CD1-CE3 4.1Å; Y847-W854 HydrophobicContact CE1-CE3 4.43Å; W854-S856 PolarHBondContact O-N 3.45Å
855	N	77.8	Confident	86.3	Confident	71 Å²	71	47 Å²	47	38%	0.38	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.1	16.3	-171.6	-55.8	-23.1	0	0	0	115.9	Q826	Q826-N855 PolarHBondContact OE1-ND2 3.31Å; Q826-N855 PolarHBondContact OE1-OD1 3.49Å
856	S	80.7	Confident	86.4	Confident	23 Å²	23	50.8 Å²	50.8	16%	0.161	27%	0.273	C	S	.	.			trans	-55.5	143.2	166	-82.4	0	0	0	0	112.3	T853 W854	T853-S856 WeakPolarHBondContact O-CB 3.47Å; T853-S856 PolarHBondContact O-N 2.97Å; T853-S856 PolarHBondContact O-OG 3.12Å; T853-S856 PolarHBondContact OG1-OG 3.34Å; W854-S856 PolarHBondContact O-N 3.45Å
857	T	81.6	Confident	86.6	Confident	68 Å²	68	54.7 Å²	54.7	42%	0.417	29%	0.291	S	S	.	.			trans	-74.4	157.5	166.6	72.5	0	0	0	0	111	E859 Q860 L861	T857-E859 PolarHBondContact O-N 3.05Å; T857-E859 VanDerWaalsContact O-N 3.17Å; T857-Q860 PolarHBondContact O-N 2.82Å; T857-Q860 VanDerWaalsContact O-N 3.08Å; T857-Q860 WeakPolarHBondContact OG1-CG 3.47Å; T857-Q860 PolarHBondContact OG1-N 3.01Å; T857-L861 WeakPolarHBondContact O-CG 3.31Å; T857-L861 PolarHBondContact O-N 2.93Å
858	S	81.4	Confident	86.8	Confident	103 Å²	103	55 Å²	55	72%	0.72	29%	0.292	S	S	*	.	H	α-helix	trans	-55.8	-32.5	175	-167.6	0	0	0	0	112.7	N862	S858-N862 WeakPolarHBondContact O-CB 2.85Å; S858-N862 PolarHBondContact O-N 3.35Å
859	E	83.1	Confident	87.2	Confident	160 Å²	160	60.2 Å²	60.2	75%	0.748	32%	0.315	S	S	*	.	H	α-helix	trans	-66.8	-45.9	175.5	-61.8	177.3	151.4	0	0	111.9	T857 N862 E863	T857-E859 PolarHBondContact O-N 3.05Å; T857-E859 VanDerWaalsContact O-N 3.17Å; E859-N862 WeakPolarHBondContact O-CB 3.22Å; E859-N862 PolarHBondContact O-N 2.92Å; E859-E863 PolarHBondContact O-N 3.18Å
860	Q	85.8	Confident	87.4	Confident	95 Å²	95	65.4 Å²	65.4	44%	0.444	34%	0.339	S	S	.	.	H	α-helix	trans	-63.8	-41.4	175.8	-70.2	170.2	-34.8	0	0	111.9	T857 N862 E863 V864	T857-Q860 PolarHBondContact O-N 2.82Å; T857-Q860 VanDerWaalsContact O-N 3.08Å; T857-Q860 WeakPolarHBondContact OG1-CG 3.47Å; T857-Q860 PolarHBondContact OG1-N 3.01Å; Q860-N862 VanDerWaalsContact C-N 3.29Å; Q860-N862 PolarHBondContact O-N 3.04Å; Q860-E863 PolarHBondContact O-N 3.02Å; Q860-V864 WeakPolarHBondContact O-CG2 3.15Å; Q860-V864 PolarHBondContact O-N 3.38Å
861	L	86.8	Confident	87.9	Confident	19 Å²	19	66.9 Å²	66.9	10%	0.099	34%	0.343	C	S	.	.	H	α-helix	trans	-61	-40.1	173.7	-65	178.1	0	0	0	111.3	Y847 Y852 T857 N865	Y847-L861 HydrophobicContact CE1-CD2 4.47Å; Y847-L861 WeakPolarHBondContact OH-CD1 3.03Å; Y852-L861 HydrophobicContact CD1-CD2 3.65Å; Y852-L861 HydrophobicContact CD2-CD2 3.81Å; Y852-L861 HydrophobicContact CE1-CD2 4.21Å; Y852-L861 HydrophobicContact CE2-CD2 4.36Å; Y852-L861 HydrophobicContact CG-CD2 3.44Å; Y852-L861 VanDerWaalsContact CG-CD2 3.44Å; T857-L861 WeakPolarHBondContact O-CG 3.31Å; T857-L861 PolarHBondContact O-N 2.93Å; L861-N865 WeakPolarHBondContact O-CB 3.42Å; L861-N865 PolarHBondContact O-N 3.18Å; L861-N865 PolarHBondContact O-ND2 3Å
862	N	88.6	Confident	88.3	Confident	91 Å²	91	66.4 Å²	66.4	49%	0.487	34%	0.34	S	S	.	.	H	α-helix	trans	-68.5	-39.7	177.2	-167.7	45.4	0	0	0	112.2	S858 E859 Q860 N865 I866	S858-N862 WeakPolarHBondContact O-CB 2.85Å; S858-N862 PolarHBondContact O-N 3.35Å; E859-N862 WeakPolarHBondContact O-CB 3.22Å; E859-N862 PolarHBondContact O-N 2.92Å; Q860-N862 VanDerWaalsContact C-N 3.29Å; Q860-N862 PolarHBondContact O-N 3.04Å; N862-N865 PolarHBondContact O-N 3.26Å; N862-I866 VanDerWaalsContact O-CG1 3.27Å; N862-I866 WeakPolarHBondContact O-CG1 3.46Å; N862-I866 PolarHBondContact O-N 3Å
863	E	90.9	Very high	88.7	Confident	115 Å²	115	68 Å²	68	54%	0.537	35%	0.352	S	S	.	.	H	α-helix	trans	-60.1	-48.1	173.9	-172.6	178.7	-177.3	0	0	111.6	E859 Q860 N865 I866 Q867	E859-E863 PolarHBondContact O-N 3.18Å; Q860-E863 PolarHBondContact O-N 3.02Å; E863-N865 VanDerWaalsContact C-N 3.33Å; E863-N865 PolarHBondContact O-N 2.88Å; E863-I866 PolarHBondContact O-N 3.17Å; E863-Q867 WeakPolarHBondContact O-CG 3.45Å; E863-Q867 PolarHBondContact O-N 3.4Å; E863-Q867 PolarHBondContact OE1-NE2 3.38Å
864	V	90.6	Very high	89.2	Confident	43 Å²	43	70.3 Å²	70.3	26%	0.261	36%	0.362	S	S	.	.	H	α-helix	trans	-59.8	-42.7	174.4	172.6	0	0	0	0	111.3	L851 Y852 Q860 I866 Q867 Q868	L851-V864 HydrophobicContact CD1-CG1 4.21Å; Y852-V864 HydrophobicContact CD1-CG1 4.44Å; Y852-V864 HydrophobicContact CE1-CG1 4.46Å; Q860-V864 WeakPolarHBondContact O-CG2 3.15Å; Q860-V864 PolarHBondContact O-N 3.38Å; V864-I866 PolarHBondContact O-N 3.38Å; V864-Q867 PolarHBondContact O-N 3.31Å; V864-Q868 HydrophobicContact CG1-CG 4.32Å; V864-Q868 WeakPolarHBondContact O-CB 3.5Å; V864-Q868 VanDerWaalsContact O-CG 3.31Å; V864-Q868 WeakPolarHBondContact O-CG 3.45Å; V864-Q868 PolarHBondContact O-N 3.37Å
865	N	92.1	Very high	89.9	Confident	25 Å²	25	68.3 Å²	68.3	13%	0.134	36%	0.356	C	S	.	.	H	α-helix	trans	-63	-39.7	176.9	-72	-35.1	0	0	0	112.3	Y852 L861 N862 E863 K869 Y1077	Y852-N865 WeakPolarHBondContact CE1-OD1 3.28Å; Y852-N865 PolarHBondContact OH-ND2 3.01Å; Y852-N865 PolarHBondContact OH-OD1 3.14Å; L861-N865 WeakPolarHBondContact O-CB 3.42Å; L861-N865 PolarHBondContact O-N 3.18Å; L861-N865 PolarHBondContact O-ND2 3Å; N862-N865 PolarHBondContact O-N 3.26Å; E863-N865 VanDerWaalsContact C-N 3.33Å; E863-N865 PolarHBondContact O-N 2.88Å; N865-K869 WeakPolarHBondContact O-CB 3.43Å; N865-K869 PolarHBondContact O-N 3.15Å; N865-Y1077 HydrophobicContact CB-CE2 4.15Å; N865-Y1077 WeakPolarHBondContact O-CE2 3.37Å
866	I	93.9	Very high	90.7	Very high	80 Å²	80	66 Å²	66	41%	0.41	34%	0.344	S	S	.	.	H	α-helix	trans	-63.4	-51.4	175.6	-70.5	162.6	0	0	0	110.1	N862 E863 V864 Q868 K869 E870	N862-I866 VanDerWaalsContact O-CG1 3.27Å; N862-I866 WeakPolarHBondContact O-CG1 3.46Å; N862-I866 PolarHBondContact O-N 3Å; E863-I866 PolarHBondContact O-N 3.17Å; V864-I866 PolarHBondContact O-N 3.38Å; I866-Q868 PolarHBondContact O-N 3.49Å; I866-K869 WeakPolarHBondContact O-CB 3.25Å; I866-K869 PolarHBondContact O-N 3.07Å; I866-K869 VanDerWaalsContact O-N 3.14Å; I866-E870 WeakPolarHBondContact O-CG 3.48Å; I866-E870 PolarHBondContact O-N 3.14Å
867	Q	94.5	Very high	91.3	Very high	89 Å²	89	69.1 Å²	69.1	42%	0.416	36%	0.358	S	S	.	.	H	α-helix	trans	-57.3	-47.1	179	-68.7	173.6	9.6	0	0	111.9	E863 V864 K869 E870 I871	E863-Q867 WeakPolarHBondContact O-CG 3.45Å; E863-Q867 PolarHBondContact O-N 3.4Å; E863-Q867 PolarHBondContact OE1-NE2 3.38Å; V864-Q867 PolarHBondContact O-N 3.31Å; Q867-K869 VanDerWaalsContact C-N 3.34Å; Q867-K869 PolarHBondContact O-N 3.26Å; Q867-E870 PolarHBondContact O-N 3.08Å; Q867-I871 VanDerWaalsContact O-CG1 3.29Å; Q867-I871 WeakPolarHBondContact O-CG1 3.31Å; Q867-I871 PolarHBondContact O-N 2.9Å
868	Q	93.3	Very high	91.8	Very high	23 Å²	23	67.7 Å²	67.7	11%	0.107	35%	0.35	C	S	.	.	H	α-helix	trans	-66.5	-34.4	178	-66.9	-60.4	-45.1	0	0	112.7	L851 V864 I866 Y872 Y1077 A1081	L851-Q868 HydrophobicContact CD1-CG 4.16Å; V864-Q868 HydrophobicContact CG1-CG 4.32Å; V864-Q868 WeakPolarHBondContact O-CB 3.5Å; V864-Q868 VanDerWaalsContact O-CG 3.31Å; V864-Q868 WeakPolarHBondContact O-CG 3.45Å; V864-Q868 PolarHBondContact O-N 3.37Å; I866-Q868 PolarHBondContact O-N 3.49Å; Q868-Y872 VanDerWaalsContact O-CB 3.26Å; Q868-Y872 WeakPolarHBondContact O-CB 3.45Å; Q868-Y872 PolarHBondContact O-N 3.02Å; Q868-Y1077 HydrophobicContact CB-CD2 4.38Å; Q868-A1081 HydrophobicContact CB-CB 4.12Å; Q868-A1081 HydrophobicContact CG-CB 4Å
869	K	94.8	Very high	92.4	Very high	111 Å²	111	62.8 Å²	62.8	48%	0.483	32%	0.315	S	S	.	.	H	α-helix	trans	-68.4	-38.7	174.8	-173.5	173.9	179.8	177.2	0	112.1	N865 I866 Q867 T873 Y1077	N865-K869 WeakPolarHBondContact O-CB 3.43Å; N865-K869 PolarHBondContact O-N 3.15Å; I866-K869 WeakPolarHBondContact O-CB 3.25Å; I866-K869 PolarHBondContact O-N 3.07Å; I866-K869 VanDerWaalsContact O-N 3.14Å; Q867-K869 VanDerWaalsContact C-N 3.34Å; Q867-K869 PolarHBondContact O-N 3.26Å; K869-T873 HydrophobicContact CG-CG2 4.43Å; K869-T873 WeakPolarHBondContact O-CB 3.46Å; K869-T873 VanDerWaalsContact O-CG2 3.32Å; K869-T873 WeakPolarHBondContact O-CG2 3.45Å; K869-T873 PolarHBondContact O-N 3.41Å; K869-T873 PolarHBondContact O-OG1 3Å; K869-Y1077 HydrophobicContact CB-CD1 4.2Å; K869-Y1077 HydrophobicContact CB-CD2 3.69Å; K869-Y1077 HydrophobicContact CB-CE2 4.1Å; K869-Y1077 HydrophobicContact CB-CG 3.79Å; K869-Y1077 HydrophobicContact CD-CD1 4.13Å; K869-Y1077 HydrophobicContact CD-CE1 4.1Å; K869-Y1077 HydrophobicContact CG-CD1 3.98Å; K869-Y1077 HydrophobicContact CG-CD2 4.37Å; K869-Y1077 HydrophobicContact CG-CE1 4.41Å; K869-Y1077 HydrophobicContact CG-CG 3.99Å
870	E	95.4	Very high	92.8	Very high	111 Å²	111	57.9 Å²	57.9	52%	0.519	29%	0.294	S	S	.	.	H	α-helix	trans	-65.4	-48	173.5	-72.9	-177.9	175.3	0	0	111.5	I866 Q867 Y872 T873 N874	I866-E870 WeakPolarHBondContact O-CG 3.48Å; I866-E870 PolarHBondContact O-N 3.14Å; Q867-E870 PolarHBondContact O-N 3.08Å; E870-Y872 PolarHBondContact O-N 2.91Å; E870-T873 PolarHBondContact O-N 3.26Å; E870-T873 PolarHBondContact O-OG1 2.7Å; E870-N874 WeakPolarHBondContact O-CB 3.48Å; E870-N874 PolarHBondContact O-N 3.31Å; E870-N874 PolarHBondContact O-ND2 3.35Å
871	I	94.6	Very high	92.9	Very high	48 Å²	48	62 Å²	62	25%	0.246	31%	0.305	C	S	.	.	H	α-helix	trans	-55.6	-51.1	174.9	-67.9	163.3	0	0	0	110.5	Q867 A875 L1052 F1080 I1235	Q867-I871 VanDerWaalsContact O-CG1 3.29Å; Q867-I871 WeakPolarHBondContact O-CG1 3.31Å; Q867-I871 PolarHBondContact O-N 2.9Å; I871-A875 WeakPolarHBondContact O-CB 3.45Å; I871-A875 PolarHBondContact O-N 3.27Å; I871-A875 VanDerWaalsContact O-N 3.08Å; I871-L1052 HydrophobicContact CG2-CD1 4.22Å; I871-F1080 HydrophobicContact CG2-CE1 4.3Å; I871-F1080 HydrophobicContact CG2-CZ 4.47Å; I871-I1235 HydrophobicContact CD1-CD1 4.11Å
872	Y	96.5	Very high	93	Very high	5 Å²	5	61.1 Å²	61.1	2%	0.02	30%	0.301	C	S	.	.	H	α-helix	trans	-60.7	-50.4	-179.9	179.1	-105.2	0	0	0	112.4	Q868 E870 A875 L876 N1044 I1045 T1048 E1076 F1080	Q868-Y872 VanDerWaalsContact O-CB 3.26Å; Q868-Y872 WeakPolarHBondContact O-CB 3.45Å; Q868-Y872 PolarHBondContact O-N 3.02Å; E870-Y872 PolarHBondContact O-N 2.91Å; Y872-A875 PolarHBondContact O-N 3.29Å; Y872-L876 HydrophobicContact CE1-CD2 3.8Å; Y872-L876 WeakPolarHBondContact O-CB 3.22Å; Y872-L876 PolarHBondContact O-N 3.41Å; Y872-N1044 WeakPolarHBondContact OH-CB 3.36Å; Y872-I1045 HydrophobicContact CE2-CG1 4.36Å; Y872-T1048 HydrophobicContact CD2-CG2 3.59Å; Y872-T1048 HydrophobicContact CE2-CG2 3.83Å; Y872-E1076 HydrophobicContact CE1-CB 3.7Å; Y872-E1076 VanDerWaalsContact CE1-OE2 3.27Å; Y872-E1076 WeakPolarHBondContact CE1-OE2 3.32Å; Y872-E1076 VanDerWaalsContact OH-CD 3.23Å; Y872-E1076 PolarHBondContact OH-OE2 3Å; Y872-F1080 HydrophobicContact CD2-CB 3.65Å; Y872-F1080 AromaticContact CD2-CD1 3.77Å; Y872-F1080 HydrophobicContact CD2-CD1 3.77Å; Y872-F1080 AromaticContact CD2-CD2 3.96Å; Y872-F1080 HydrophobicContact CD2-CD2 3.96Å; Y872-F1080 HydrophobicContact CD2-CE1 4.45Å; Y872-F1080 AromaticContact CD2-CG 3.49Å; Y872-F1080 HydrophobicContact CD2-CG 3.49Å; Y872-F1080 VanDerWaalsContact CD2-CG 3.49Å; Y872-F1080 HydrophobicContact CE2-CB 3.96Å; Y872-F1080 HydrophobicContact CE2-CD2 4.41Å; Y872-F1080 HydrophobicContact CE2-CG 4.15Å; Y872-F1080 HydrophobicContact CG-CB 4.48Å; Y872-F1080 HydrophobicContact CG-CD1 4.26Å; Y872-F1080 HydrophobicContact CG-CG 4.37Å
873	T	95.7	Very high	92.9	Very high	49 Å²	49	57.6 Å²	57.6	30%	0.301	28%	0.283	S	S	.	.	H	α-helix	trans	-71.1	-35.9	-176.1	53.1	0	0	0	0	112.8	K869 E870 N877	K869-T873 HydrophobicContact CG-CG2 4.43Å; K869-T873 WeakPolarHBondContact O-CB 3.46Å; K869-T873 VanDerWaalsContact O-CG2 3.32Å; K869-T873 WeakPolarHBondContact O-CG2 3.45Å; K869-T873 PolarHBondContact O-N 3.41Å; K869-T873 PolarHBondContact O-OG1 3Å; E870-T873 PolarHBondContact O-N 3.26Å; E870-T873 PolarHBondContact O-OG1 2.7Å; T873-N877 VanDerWaalsContact O-CB 3.27Å; T873-N877 WeakPolarHBondContact O-CB 3.46Å; T873-N877 PolarHBondContact O-N 2.78Å; T873-N877 PolarHBondContact O-ND2 2.75Å
874	N	95.6	Very high	92.5	Very high	99 Å²	99	56.7 Å²	56.7	53%	0.529	28%	0.279	S	S	.	.	H	α-helix	trans	-64.3	-46.3	174.4	-73.8	-34.4	0	0	0	111.4	E870 T878	E870-N874 WeakPolarHBondContact O-CB 3.48Å; E870-N874 PolarHBondContact O-N 3.31Å; E870-N874 PolarHBondContact O-ND2 3.35Å; N874-T878 WeakPolarHBondContact O-CB 3.48Å; N874-T878 PolarHBondContact O-N 2.82Å; N874-T878 PolarHBondContact O-OG1 2.91Å
875	A	94.6	Very high	92.1	Very high	7 Å²	7	58.9 Å²	58.9	6%	0.058	28%	0.283	C	S	.	.	H	α-helix	trans	-64.9	-44.6	176.3	0	0	0	0	0	112	I871 Y872 N877 T878 W879 T1048 L1052	I871-A875 WeakPolarHBondContact O-CB 3.45Å; I871-A875 PolarHBondContact O-N 3.27Å; I871-A875 VanDerWaalsContact O-N 3.08Å; Y872-A875 PolarHBondContact O-N 3.29Å; A875-N877 PolarHBondContact O-N 2.93Å; A875-T878 PolarHBondContact O-N 2.85Å; A875-T878 VanDerWaalsContact O-N 3.16Å; A875-W879 PolarHBondContact O-N 2.89Å; A875-T1048 HydrophobicContact CB-CG2 3.66Å; A875-L1052 HydrophobicContact CB-CD1 4.11Å; A875-L1052 HydrophobicContact CB-CD2 4.05Å; A875-L1052 HydrophobicContact CB-CG 4.08Å
876	L	94.1	Very high	91.6	Very high	23 Å²	23	58.1 Å²	58.1	12%	0.12	28%	0.279	C	S	.	.	H	α-helix	trans	-57.4	-47.2	175.7	179.9	65.4	0	0	0	112.2	Y872 T878 W879 N880 N1044	Y872-L876 HydrophobicContact CE1-CD2 3.8Å; Y872-L876 WeakPolarHBondContact O-CB 3.22Å; Y872-L876 PolarHBondContact O-N 3.41Å; L876-T878 VanDerWaalsContact C-N 3.32Å; L876-T878 PolarHBondContact O-N 3.15Å; L876-W879 HydrophobicContact CD1-CH2 4.28Å; L876-W879 HydrophobicContact CD1-CZ2 3.4Å; L876-N880 VanDerWaalsContact CD1-ND2 3.31Å; L876-N880 WeakPolarHBondContact CD1-ND2 3.26Å; L876-N880 VanDerWaalsContact O-CB 3.31Å; L876-N880 WeakPolarHBondContact O-CB 3.47Å; L876-N880 PolarHBondContact O-N 3.26Å; L876-N880 VanDerWaalsContact O-N 3.08Å; L876-N880 PolarHBondContact O-ND2 3.46Å; L876-N1044 HydrophobicContact CD1-CB 4.14Å
877	N	93.9	Very high	90.6	Very high	87 Å²	87	58.4 Å²	58.4	47%	0.465	28%	0.277	S	S	.	.	H	α-helix	trans	-64.9	-36.5	176.8	-75.6	-36.9	0	0	0	112	T873 A875 R881	T873-N877 VanDerWaalsContact O-CB 3.27Å; T873-N877 WeakPolarHBondContact O-CB 3.46Å; T873-N877 PolarHBondContact O-N 2.78Å; T873-N877 PolarHBondContact O-ND2 2.75Å; A875-N877 PolarHBondContact O-N 2.93Å; N877-R881 WeakPolarHBondContact O-CG 3.43Å; N877-R881 PolarHBondContact O-N 2.88Å
878	T	92.8	Very high	89.5	Confident	39 Å²	39	61.3 Å²	61.3	24%	0.239	29%	0.291	C	S	.	.	H	α-helix	trans	-68.2	-52.8	-179.9	-57.6	0	0	0	0	111.4	N874 A875 L876 N880 R881 V882 F989 W1051	N874-T878 WeakPolarHBondContact O-CB 3.48Å; N874-T878 PolarHBondContact O-N 2.82Å; N874-T878 PolarHBondContact O-OG1 2.91Å; A875-T878 PolarHBondContact O-N 2.85Å; A875-T878 VanDerWaalsContact O-N 3.16Å; L876-T878 VanDerWaalsContact C-N 3.32Å; L876-T878 PolarHBondContact O-N 3.15Å; T878-N880 VanDerWaalsContact C-N 3.34Å; T878-N880 PolarHBondContact O-N 3.02Å; T878-R881 WeakPolarHBondContact O-CB 3.18Å; T878-R881 PolarHBondContact O-N 3.29Å; T878-V882 PolarHBondContact O-N 2.96Å; T878-F989 HydrophobicContact CG2-CE1 3.98Å; T878-F989 HydrophobicContact CG2-CZ 3.74Å; T878-W1051 HydrophobicContact CG2-CZ2 3.69Å
879	W	93.1	Very high	88.3	Confident	0 Å²	0	61.6 Å²	61.6	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-71.8	-27.5	-178.8	76.8	-111.1	0	0	0	112.8	A875 L876 R881 V882 V883 F997 S1047 T1048 W1051	A875-W879 PolarHBondContact O-N 2.89Å; L876-W879 HydrophobicContact CD1-CH2 4.28Å; L876-W879 HydrophobicContact CD1-CZ2 3.4Å; W879-R881 VanDerWaalsContact C-N 3.35Å; W879-R881 PolarHBondContact O-N 3.21Å; W879-V882 CarbonylContact O-C 3.5Å; W879-V882 WeakPolarHBondContact O-CB 3.38Å; W879-V882 PolarHBondContact O-N 2.96Å; W879-V883 HydrophobicContact CE3-CG2 3.71Å; W879-V883 HydrophobicContact CZ3-CG2 3.94Å; W879-V883 WeakPolarHBondContact O-CG2 3.44Å; W879-V883 PolarHBondContact O-N 3Å; W879-F997 HydrophobicContact CB-CE1 3.83Å; W879-F997 HydrophobicContact CB-CE2 4.47Å; W879-F997 HydrophobicContact CB-CZ 3.66Å; W879-F997 HydrophobicContact CD2-CE1 4.48Å; W879-F997 AromaticContact CD2-CZ 3.93Å; W879-F997 HydrophobicContact CD2-CZ 3.93Å; W879-F997 HydrophobicContact CE3-CE1 4.2Å; W879-F997 AromaticContact CE3-CZ 3.95Å; W879-F997 HydrophobicContact CE3-CZ 3.95Å; W879-F997 HydrophobicContact CG-CE1 4.38Å; W879-F997 AromaticContact CG-CZ 3.83Å; W879-F997 HydrophobicContact CG-CZ 3.83Å; W879-S1047 VanDerWaalsContact CZ2-CB 3.45Å; W879-T1048 PolarHBondContact NE1-OG1 3.16Å; W879-W1051 HydrophobicContact CB-CB 4.13Å; W879-W1051 HydrophobicContact CB-CD2 3.61Å; W879-W1051 HydrophobicContact CB-CE3 3.73Å; W879-W1051 HydrophobicContact CB-CG 3.77Å; W879-W1051 HydrophobicContact CB-CZ3 4.46Å; W879-W1051 HydrophobicContact CG-CB 4.3Å; W879-W1051 HydrophobicContact CG-CG 4.35Å
880	N	90.8	Very high	86.6	Confident	57 Å²	57	61.1 Å²	61.1	31%	0.305	30%	0.299	S	S	.	.	H	α-helix	trans	-63.9	-38	171.3	-87	-66.1	0	0	0	112.4	L876 T878 V882 V883 Q884	L876-N880 VanDerWaalsContact CD1-ND2 3.31Å; L876-N880 WeakPolarHBondContact CD1-ND2 3.26Å; L876-N880 VanDerWaalsContact O-CB 3.31Å; L876-N880 WeakPolarHBondContact O-CB 3.47Å; L876-N880 PolarHBondContact O-N 3.26Å; L876-N880 VanDerWaalsContact O-N 3.08Å; L876-N880 PolarHBondContact O-ND2 3.46Å; T878-N880 VanDerWaalsContact C-N 3.34Å; T878-N880 PolarHBondContact O-N 3.02Å; N880-V882 VanDerWaalsContact C-N 3.32Å; N880-V882 PolarHBondContact O-N 2.71Å; N880-V883 PolarHBondContact O-N 2.66Å; N880-Q884 WeakPolarHBondContact O-CG 3.31Å; N880-Q884 PolarHBondContact O-N 2.99Å
881	R	89.2	Confident	84.7	Confident	180 Å²	180	64.4 Å²	64.4	68%	0.679	31%	0.307	S	S	*	.	H	α-helix	trans	-61	-42	171.2	-69	166.2	-175.4	175.3	2.8	111.2	N877 T878 W879 V883 Q884 Y885	N877-R881 WeakPolarHBondContact O-CG 3.43Å; N877-R881 PolarHBondContact O-N 2.88Å; T878-R881 WeakPolarHBondContact O-CB 3.18Å; T878-R881 PolarHBondContact O-N 3.29Å; W879-R881 VanDerWaalsContact C-N 3.35Å; W879-R881 PolarHBondContact O-N 3.21Å; R881-V883 PolarHBondContact O-N 3.11Å; R881-Q884 PolarHBondContact O-N 3.34Å; R881-Y885 PolarHBondContact O-N 2.8Å
882	V	88.8	Confident	82.8	Confident	2 Å²	2	64.1 Å²	64.1	1%	0.012	30%	0.303	C	S	.	.	H	α-helix	trans	-61	-41.8	174.1	168.5	0	0	0	0	111.8	T878 W879 N880 Y885 L886 F989 L994 F997 W1051	T878-V882 PolarHBondContact O-N 2.96Å; W879-V882 CarbonylContact O-C 3.5Å; W879-V882 WeakPolarHBondContact O-CB 3.38Å; W879-V882 PolarHBondContact O-N 2.96Å; N880-V882 VanDerWaalsContact C-N 3.32Å; N880-V882 PolarHBondContact O-N 2.71Å; V882-Y885 PolarHBondContact O-N 3.34Å; V882-L886 HydrophobicContact CG1-CD1 3.91Å; V882-L886 HydrophobicContact CG1-CG 4.32Å; V882-L886 WeakPolarHBondContact O-CB 3.42Å; V882-L886 WeakPolarHBondContact O-CG 3.47Å; V882-L886 PolarHBondContact O-N 2.75Å; V882-F989 HydrophobicContact CG2-CD2 3.51Å; V882-F989 HydrophobicContact CG2-CE2 3.54Å; V882-F989 HydrophobicContact CG2-CG 4.06Å; V882-F989 HydrophobicContact CG2-CZ 4.1Å; V882-L994 HydrophobicContact CG1-CD2 3.59Å; V882-L994 HydrophobicContact CG2-CD2 4.34Å; V882-F997 HydrophobicContact CG1-CD1 3.95Å; V882-F997 HydrophobicContact CG1-CE1 4.43Å; V882-W1051 HydrophobicContact CB-CZ3 4.46Å; V882-W1051 HydrophobicContact CG1-CZ3 4.31Å; V882-W1051 HydrophobicContact CG2-CH2 3.76Å; V882-W1051 HydrophobicContact CG2-CZ3 4.12Å
883	V	85.9	Confident	80.9	Confident	17 Å²	17	66.1 Å²	66.1	10%	0.103	32%	0.321	C	S	.	.	H	α-helix	trans	-66.3	-37.6	176.4	170.6	0	0	0	0	112.1	W879 N880 R881 L886 K887 F997 L1001	W879-V883 HydrophobicContact CE3-CG2 3.71Å; W879-V883 HydrophobicContact CZ3-CG2 3.94Å; W879-V883 WeakPolarHBondContact O-CG2 3.44Å; W879-V883 PolarHBondContact O-N 3Å; N880-V883 PolarHBondContact O-N 2.66Å; R881-V883 PolarHBondContact O-N 3.11Å; V883-L886 PolarHBondContact O-N 2.79Å; V883-K887 WeakPolarHBondContact O-CG 3.32Å; V883-K887 PolarHBondContact O-N 3.07Å; V883-F997 HydrophobicContact CG2-CE1 4.01Å; V883-L1001 HydrophobicContact CG2-CD2 3.49Å; V883-L1001 VanDerWaalsContact CG2-CD2 3.49Å
884	Q	82.7	Confident	78.7	Confident	96 Å²	96	68.3 Å²	68.3	45%	0.449	33%	0.33	S	S	.	.	H	α-helix	trans	-67.5	-36.8	174	-63.3	-68.2	10.1	0	0	111.9	N880 R881 K887 Q888	N880-Q884 WeakPolarHBondContact O-CG 3.31Å; N880-Q884 PolarHBondContact O-N 2.99Å; R881-Q884 PolarHBondContact O-N 3.34Å; Q884-K887 PolarHBondContact O-N 2.84Å; Q884-Q888 WeakPolarHBondContact O-CG 3.47Å; Q884-Q888 PolarHBondContact O-N 3.08Å
885	Y	82.4	Confident	76.5	Confident	89 Å²	89	68.5 Å²	68.5	35%	0.349	33%	0.327	S	S	.	.	H	α-helix	trans	-64.9	-45.2	171.8	179	-95.3	0	0	0	112	R881 V882 K887 Q888 D889 C987 L994	R881-Y885 PolarHBondContact O-N 2.8Å; V882-Y885 PolarHBondContact O-N 3.34Å; Y885-K887 VanDerWaalsContact C-N 3.32Å; Y885-K887 PolarHBondContact O-N 3.29Å; Y885-Q888 CarbonylContact O-C 3.41Å; Y885-Q888 WeakPolarHBondContact O-CA 3.39Å; Y885-Q888 WeakPolarHBondContact O-CB 3.03Å; Y885-Q888 PolarHBondContact O-N 3.33Å; Y885-D889 PolarHBondContact O-N 2.93Å; Y885-C987 HydrophobicContact CE1-CB 4.36Å; Y885-C987 HydrophobicContact CE2-CB 4.19Å; Y885-L994 HydrophobicContact CD1-CD1 4.33Å; Y885-L994 HydrophobicContact CE1-CD1 3.9Å
886	L	80.1	Confident	74.6	Confident	9 Å²	9	70.2 Å²	70.2	5%	0.047	34%	0.336	C	S	.	.	H	α-helix	trans	-61.5	-37.5	175.5	-74.9	171.6	0	0	0	112.1	V882 V883 Q888 D889 Y892 L994 A998	V882-L886 HydrophobicContact CG1-CD1 3.91Å; V882-L886 HydrophobicContact CG1-CG 4.32Å; V882-L886 WeakPolarHBondContact O-CB 3.42Å; V882-L886 WeakPolarHBondContact O-CG 3.47Å; V882-L886 PolarHBondContact O-N 2.75Å; V883-L886 PolarHBondContact O-N 2.79Å; L886-Q888 PolarHBondContact O-N 2.96Å; L886-D889 PolarHBondContact O-N 3.02Å; L886-Y892 HydrophobicContact CB-CD1 3.68Å; L886-Y892 HydrophobicContact CB-CE1 3.97Å; L886-Y892 HydrophobicContact CB-CG 4.09Å; L886-Y892 HydrophobicContact CD2-CD1 4.48Å; L886-Y892 HydrophobicContact CD2-CD2 4.23Å; L886-Y892 HydrophobicContact CD2-CG 4.02Å; L886-Y892 VanDerWaalsContact O-CD1 3.32Å; L886-Y892 WeakPolarHBondContact O-CD1 3.44Å; L886-L994 HydrophobicContact CD2-CB 4.43Å; L886-A998 HydrophobicContact CD1-CB 4.3Å
887	K	74.3	Confident	72.5	Confident	85 Å²	85	72.6 Å²	72.6	37%	0.37	36%	0.36	S	S	.	.	H	α-helix	trans	-62.4	-19.8	171.3	-77	-178.7	179.7	-173	0	113.5	V883 Q884 Y885 Y913	V883-K887 WeakPolarHBondContact O-CG 3.32Å; V883-K887 PolarHBondContact O-N 3.07Å; Q884-K887 PolarHBondContact O-N 2.84Å; Y885-K887 VanDerWaalsContact C-N 3.32Å; Y885-K887 PolarHBondContact O-N 3.29Å; K887-Y913 PolarHBondContact NZ-O 3.11Å
888	Q	71.7	Confident	69.9	Low	150 Å²	150	76.2 Å²	76.2	70%	0.701	38%	0.376	S	S	*	.	H	α-helix	trans	-97.4	-22.9	178.1	-66.3	171.8	13.8	0	0	113.2	Q884 Y885 L886 V890	Q884-Q888 WeakPolarHBondContact O-CG 3.47Å; Q884-Q888 PolarHBondContact O-N 3.08Å; Y885-Q888 CarbonylContact O-C 3.41Å; Y885-Q888 WeakPolarHBondContact O-CA 3.39Å; Y885-Q888 WeakPolarHBondContact O-CB 3.03Å; Y885-Q888 PolarHBondContact O-N 3.33Å; L886-Q888 PolarHBondContact O-N 2.96Å; Q888-V890 PolarHBondContact O-N 2.88Å
889	D	67.4	Low	67.4	Low	30 Å²	30	77.7 Å²	77.7	16%	0.16	38%	0.381	C	S	.	.			trans	-74.9	110.4	174.1	-166.2	-30.5	0	0	0	110.8	Y885 L886 R891 Y892 A893	Y885-D889 PolarHBondContact O-N 2.93Å; L886-D889 PolarHBondContact O-N 3.02Å; D889-R891 PolarHBondContact O-N 3.1Å; D889-R891 WeakPolarHBondContact OD1-CB 3.5Å; D889-R891 WeakPolarHBondContact OD1-CG 3.49Å; D889-R891 IonicContact OD1-CZ 3.49Å; D889-R891 PolarHBondContact OD1-N 3.1Å; D889-R891 IonicContact OD1-NE 3.15Å; D889-R891 PolarHBondContact OD1-NE 3.44Å; D889-R891 IonicContact OD2-CZ 3.04Å; D889-R891 VanDerWaalsContact OD2-CZ 3.29Å; D889-R891 IonicContact OD2-NE 2.68Å; D889-R891 PolarHBondContact OD2-NE 2.91Å; D889-R891 VanDerWaalsContact OD2-NE 3.11Å; D889-R891 IonicContact OD2-NH2 3.17Å; D889-R891 PolarHBondContact OD2-NH2 3.34Å; D889-Y892 PolarHBondContact O-N 2.9Å; D889-A893 PolarHBondContact O-N 3.12Å
890	V	59.3	Low	64.6	Low	101 Å²	101	82.7 Å²	82.7	61%	0.612	41%	0.414	S	S	*	.	H	α-helix	trans	-52.8	-27.9	177.8	-177.1	0	0	0	0	112.2	Q888 N894	Q888-V890 PolarHBondContact O-N 2.88Å; V890-N894 VanDerWaalsContact O-CB 3.25Å; V890-N894 WeakPolarHBondContact O-CB 3.15Å; V890-N894 PolarHBondContact O-N 2.86Å; V890-N894 PolarHBondContact O-ND2 3.36Å
891	R	55.7	Low	61.9	Low	180 Å²	180	85.3 Å²	85.3	68%	0.679	43%	0.434	S	S	*	.	H	α-helix	trans	-69.4	-40.8	176.4	-58.8	174.3	-66.8	170.8	0.9	112.1	D889 N894 F895	D889-R891 PolarHBondContact O-N 3.1Å; D889-R891 WeakPolarHBondContact OD1-CB 3.5Å; D889-R891 WeakPolarHBondContact OD1-CG 3.49Å; D889-R891 IonicContact OD1-CZ 3.49Å; D889-R891 PolarHBondContact OD1-N 3.1Å; D889-R891 IonicContact OD1-NE 3.15Å; D889-R891 PolarHBondContact OD1-NE 3.44Å; D889-R891 IonicContact OD2-CZ 3.04Å; D889-R891 VanDerWaalsContact OD2-CZ 3.29Å; D889-R891 IonicContact OD2-NE 2.68Å; D889-R891 PolarHBondContact OD2-NE 2.91Å; D889-R891 VanDerWaalsContact OD2-NE 3.11Å; D889-R891 IonicContact OD2-NH2 3.17Å; D889-R891 PolarHBondContact OD2-NH2 3.34Å; R891-N894 PolarHBondContact O-N 3.4Å; R891-F895 WeakPolarHBondContact O-CB 3.42Å; R891-F895 PolarHBondContact O-N 3.42Å
892	Y	54.3	Low	59.3	Low	41 Å²	41	84.2 Å²	84.2	16%	0.161	43%	0.434	C	S	.	.	H	α-helix	trans	-73.5	-39.5	176.5	-177.5	-106.4	0	0	0	111.2	L886 D889 N894 F895 V896 A998	L886-Y892 HydrophobicContact CB-CD1 3.68Å; L886-Y892 HydrophobicContact CB-CE1 3.97Å; L886-Y892 HydrophobicContact CB-CG 4.09Å; L886-Y892 HydrophobicContact CD2-CD1 4.48Å; L886-Y892 HydrophobicContact CD2-CD2 4.23Å; L886-Y892 HydrophobicContact CD2-CG 4.02Å; L886-Y892 VanDerWaalsContact O-CD1 3.32Å; L886-Y892 WeakPolarHBondContact O-CD1 3.44Å; D889-Y892 PolarHBondContact O-N 2.9Å; Y892-N894 VanDerWaalsContact C-N 3.31Å; Y892-N894 PolarHBondContact O-N 3.35Å; Y892-F895 HydrophobicContact CD2-CD1 4.36Å; Y892-F895 HydrophobicContact CE2-CD1 4.41Å; Y892-F895 PolarHBondContact O-N 2.94Å; Y892-V896 HydrophobicContact CD1-CG2 4.27Å; Y892-V896 HydrophobicContact CD2-CG2 4.49Å; Y892-V896 HydrophobicContact CE1-CG2 3.91Å; Y892-V896 HydrophobicContact CE2-CG2 4.07Å; Y892-V896 WeakPolarHBondContact O-CG2 3.17Å; Y892-V896 PolarHBondContact O-N 2.86Å; Y892-A998 HydrophobicContact CD2-CB 3.94Å; Y892-A998 HydrophobicContact CE2-CB 3.47Å; Y892-A998 VanDerWaalsContact CE2-CB 3.47Å
893	A	56.2	Low	56.4	Low	48 Å²	48	91.2 Å²	91.2	40%	0.397	47%	0.472	S	S	.	.	H	α-helix	trans	-56.8	-44.8	170.8	0	0	0	0	0	111.8	D889 A897	D889-A893 PolarHBondContact O-N 3.12Å; A893-A897 VanDerWaalsContact O-CB 3.29Å; A893-A897 WeakPolarHBondContact O-CB 3.43Å; A893-A897 PolarHBondContact O-N 3.02Å
894	N	50.1	Low	53.7	Low	94 Å²	94	96 Å²	96	50%	0.503	50%	0.497	S	S	.	.	H	α-helix	trans	-68.3	-36.9	175.5	-73.2	-14.7	0	0	0	112.9	V890 R891 Y892 A897 M898	V890-N894 VanDerWaalsContact O-CB 3.25Å; V890-N894 WeakPolarHBondContact O-CB 3.15Å; V890-N894 PolarHBondContact O-N 2.86Å; V890-N894 PolarHBondContact O-ND2 3.36Å; R891-N894 PolarHBondContact O-N 3.4Å; Y892-N894 VanDerWaalsContact C-N 3.31Å; Y892-N894 PolarHBondContact O-N 3.35Å; N894-A897 CarbonylContact O-C 3.49Å; N894-A897 PolarHBondContact O-N 3.06Å; N894-M898 WeakPolarHBondContact O-CG 3.35Å; N894-M898 PolarHBondContact O-N 3.49Å
895	F	48.8	Very low	51.1	Low	104 Å²	104	97 Å²	97	46%	0.456	51%	0.514	S	S	.	.	H	α-helix	trans	-62.5	-45.2	175.5	-179.5	-102.9	0	0	0	111.5	R891 Y892 A897 M898	R891-F895 WeakPolarHBondContact O-CB 3.42Å; R891-F895 PolarHBondContact O-N 3.42Å; Y892-F895 HydrophobicContact CD2-CD1 4.36Å; Y892-F895 HydrophobicContact CE2-CD1 4.41Å; Y892-F895 PolarHBondContact O-N 2.94Å; F895-A897 VanDerWaalsContact C-N 3.31Å; F895-A897 PolarHBondContact O-N 2.87Å; F895-M898 PolarHBondContact O-N 3.23Å
896	V	54	Low	48.5	Very low	42 Å²	42	99.3 Å²	99.3	26%	0.255	54%	0.537	S	S	.	.	H	α-helix	trans	-63.2	-37	172.6	173.9	0	0	0	0	111.3	Y892	Y892-V896 HydrophobicContact CD1-CG2 4.27Å; Y892-V896 HydrophobicContact CD2-CG2 4.49Å; Y892-V896 HydrophobicContact CE1-CG2 3.91Å; Y892-V896 HydrophobicContact CE2-CG2 4.07Å; Y892-V896 WeakPolarHBondContact O-CG2 3.17Å; Y892-V896 PolarHBondContact O-N 2.86Å
897	A	50.9	Low	46	Very low	74 Å²	74	107.5 Å²	107.5	61%	0.612	58%	0.576	S	S	*	*	H	α-helix	trans	-78.9	-15.3	178.9	0	0	0	0	0	115.2	A893 N894 F895 I899	A893-A897 VanDerWaalsContact O-CB 3.29Å; A893-A897 WeakPolarHBondContact O-CB 3.43Å; A893-A897 PolarHBondContact O-N 3.02Å; N894-A897 CarbonylContact O-C 3.49Å; N894-A897 PolarHBondContact O-N 3.06Å; F895-A897 VanDerWaalsContact C-N 3.31Å; F895-A897 PolarHBondContact O-N 2.87Å; A897-I899 PolarHBondContact O-N 3.04Å
898	M	39.3	Very low	43.8	Very low	162 Å²	162	108.4 Å²	108.4	80%	0.798	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.3	-6.2	174.1	-81.2	-176.2	70.3	0	0	113.3	N894 F895	N894-M898 WeakPolarHBondContact O-CG 3.35Å; N894-M898 PolarHBondContact O-N 3.49Å; F895-M898 PolarHBondContact O-N 3.23Å
899	I	40.6	Very low	41.7	Very low	71 Å²	71	108.7 Å²	108.7	36%	0.364	60%	0.599	S	S	.	*	S	Bend	trans	-74.8	123	172.5	-56.9	176.1	0	0	0	108.4	A897 Y1002	A897-I899 PolarHBondContact O-N 3.04Å; I899-Y1002 HydrophobicContact CD1-CD2 4.07Å; I899-Y1002 HydrophobicContact CD1-CE2 3.45Å; I899-Y1002 VanDerWaalsContact CD1-CE2 3.45Å
900	P	34.5	Very low	39.8	Very low	105 Å²	105	114.7 Å²	114.7	68%	0.682	63%	0.626	S	S	*	*	P	Polyproline II helix	trans	-61	130.9	-175.4	-24.5	33.8	0	0	0	112.4	K902	P900-K902 PolarHBondContact O-N 3.48Å
901	P	34.8	Very low	38.5	Very low	112 Å²	112	113.9 Å²	113.9	73%	0.727	62%	0.624	S	S	*	*	P	Polyproline II helix	trans	-64.6	124.6	168.3	27.6	-32.7	0	0	0	108.7	N903	P901-N903 PolarHBondContact O-N 3.04Å
902	K	34.4	Very low	37.6	Very low	157 Å²	157	109.4 Å²	109.4	68%	0.683	61%	0.613	S	S	*	*			trans	-70.2	114	168	-83.1	-168.7	165.2	-159.9	0	108.7	P900 D904	P900-K902 PolarHBondContact O-N 3.48Å; K902-D904 PolarHBondContact O-N 3.35Å
903	N	27.2	Very low	36.8	Very low	149 Å²	149	113.4 Å²	113.4	80%	0.797	63%	0.629	S	S	*	*			trans	-77	69	175.2	-73.8	-13.8	0	0	0	111.4	P901	P901-N903 PolarHBondContact O-N 3.04Å
904	D	29.9	Very low	35.4	Very low	118 Å²	118	117.6 Å²	117.6	63%	0.631	65%	0.645	S	S	*	*			trans	-99.6	93	164.6	-72.5	-57.3	0	0	0	108.3	K902 T906	K902-D904 PolarHBondContact O-N 3.35Å; D904-T906 VanDerWaalsContact C-N 3.34Å; D904-T906 PolarHBondContact O-N 3.43Å
905	S	27.8	Very low	34.5	Very low	116 Å²	116	117.7 Å²	117.7	81%	0.811	65%	0.648	S	S	*	*			trans	-85.9	53	-162	65.2	0	0	0	0	115.2
906	T	27.7	Very low	33.4	Very low	137 Å²	137	121.3 Å²	121.3	84%	0.84	66%	0.664	S	S	*	*	S	Bend	trans	-164.6	70.1	157.1	46.3	0	0	0	0	112.5	D904	D904-T906 VanDerWaalsContact C-N 3.34Å; D904-T906 PolarHBondContact O-N 3.43Å
907	E	27.2	Very low	32.1	Very low	182 Å²	182	126 Å²	126	85%	0.85	69%	0.687	S	S	*	*			trans	-164.5	144.2	147.9	-115.7	168.7	-146.6	0	0	111.2	N909	E907-N909 PolarHBondContact O-N 3.21Å
908	S	27.4	Very low	30.9	Very low	104 Å²	104	130.2 Å²	130.2	73%	0.727	70%	0.698	S	S	*	*			trans	-88.3	94.2	-171.7	39.8	0	0	0	0	112.6	E910	S908-E910 PolarHBondContact O-N 2.74Å
909	N	27.6	Very low	30.3	Very low	155 Å²	155	128.7 Å²	128.7	83%	0.829	70%	0.698	S	S	*	*			trans	-65.6	84.9	174.8	-78.1	-66.4	0	0	0	113	E907 C911	E907-N909 PolarHBondContact O-N 3.21Å; N909-C911 PolarHBondContact O-N 3.12Å; N909-C911 VanDerWaalsContact O-N 3.1Å
910	E	28.8	Very low	29.5	Very low	156 Å²	156	132.7 Å²	132.7	73%	0.729	72%	0.72	S	S	*	*			trans	-66.8	98.5	151.5	-87.8	163.9	-152	0	0	108.3	S908 K1023	S908-E910 PolarHBondContact O-N 2.74Å; E910-K1023 IonicContact OE1-NZ 2.65Å; E910-K1023 PolarHBondContact OE1-NZ 2.7Å; E910-K1023 IonicContact OE2-NZ 2.77Å; E910-K1023 PolarHBondContact OE2-NZ 3.21Å
911	C	31.3	Very low	29	Very low	84 Å²	84	135.2 Å²	135.2	57%	0.568	73%	0.728	S	S	*	*			trans	-75.8	155.3	178.8	-157.1	0	0	0	0	111.2	N909 Y913	N909-C911 PolarHBondContact O-N 3.12Å; N909-C911 VanDerWaalsContact O-N 3.1Å; C911-Y913 HydrophobicContact CB-CD2 3.88Å; C911-Y913 HydrophobicContact CB-CE2 4.31Å; C911-Y913 PolarHBondContact O-N 2.91Å; C911-Y913 WeakPolarHBondContact SG-CE2 3.39Å
912	L	37.4	Very low	28.7	Very low	87 Å²	87	138.7 Å²	138.7	46%	0.455	73%	0.734	S	S	.	*	T	Hydrogen-bonded Turn	trans	-74.1	39.5	-173.7	-160	76.6	0	0	0	113.8
913	Y	37	Very low	28.2	Very low	124 Å²	124	138.8 Å²	138.8	49%	0.486	74%	0.741	S	S	.	*	T	Hydrogen-bonded Turn	trans	-107	-19.6	-175.2	-69.2	-52.7	0	0	0	114.9	K887 C911 T915	K887-Y913 PolarHBondContact NZ-O 3.11Å; C911-Y913 HydrophobicContact CB-CD2 3.88Å; C911-Y913 HydrophobicContact CB-CE2 4.31Å; C911-Y913 PolarHBondContact O-N 2.91Å; C911-Y913 WeakPolarHBondContact SG-CE2 3.39Å; Y913-T915 PolarHBondContact O-N 3.16Å; Y913-T915 PolarHBondContact O-OG1 2.91Å
914	D	27.5	Very low	28.1	Very low	137 Å²	137	137.6 Å²	137.6	73%	0.733	74%	0.742	S	S	*	*			trans	-79.9	64	176.2	-113	-44	0	0	0	111.8	K916	D914-K916 PolarHBondContact O-N 3.41Å
915	T	30.4	Very low	28	Very low	95 Å²	95	140 Å²	140	58%	0.583	75%	0.754	S	S	*	*			trans	-75.3	65.3	173.3	-21.4	0	0	0	0	110.2	Y913	Y913-T915 PolarHBondContact O-N 3.16Å; Y913-T915 PolarHBondContact O-OG1 2.91Å
916	K	26.6	Very low	27.8	Very low	180 Å²	180	142 Å²	142	78%	0.783	76%	0.755	S	S	*	*			trans	-107.3	10.8	-173.3	-121.4	176.6	-174.3	171.5	0	114.9	D914	D914-K916 PolarHBondContact O-N 3.41Å
917	L	25.4	Very low	27.8	Very low	140 Å²	140	141.1 Å²	141.1	73%	0.733	76%	0.755	S	S	*	*	S	Bend	trans	-125.1	153.8	170.2	-82.8	133.3	0	0	0	109
918	L	25.2	Very low	27.8	Very low	163 Å²	163	138.4 Å²	138.4	85%	0.853	75%	0.751	S	S	*	*	S	Bend	trans	74.7	45.4	-177.1	-52.9	178.8	0	0	0	117.1
919	V	26.9	Very low	27.7	Very low	130 Å²	130	142.6 Å²	142.6	79%	0.788	76%	0.756	S	S	*	*			trans	-128.6	61.9	146.2	-168.7	0	0	0	0	109.7
920	N	23.3	Very low	27.7	Very low	155 Å²	155	143.9 Å²	143.9	83%	0.829	76%	0.757	S	S	*	*			trans	-102.5	74	169.6	-77.8	17.7	0	0	0	109.5
921	N	24.9	Very low	27.4	Very low	158 Å²	158	140.9 Å²	140.9	85%	0.845	75%	0.753	S	S	*	*			trans	-148.3	62.3	167.7	-100.1	-22.6	0	0	0	107.8
922	E	28	Very low	27.2	Very low	186 Å²	186	142.9 Å²	142.9	87%	0.869	76%	0.758	S	S	*	*			trans	-73.3	129.3	174.4	-68.7	-154.7	141.4	0	0	110.8
923	L	25.2	Very low	26.8	Very low	158 Å²	158	145 Å²	145	83%	0.827	77%	0.77	S	S	*	*			trans	-71.9	126.1	169.9	-70.7	160.3	0	0	0	108.7	L925	L923-L925 PolarHBondContact O-N 3.24Å
924	P	25.4	Very low	26.5	Very low	124 Å²	124	144.3 Å²	144.3	81%	0.805	78%	0.779	S	S	*	*			trans	-73.4	98.8	-176.3	28.6	-34.4	0	0	0	111.3
925	L	26.7	Very low	26.5	Very low	169 Å²	169	143.7 Å²	143.7	89%	0.885	78%	0.775	S	S	*	*			trans	-89.4	117.6	168.6	-85.9	168.6	0	0	0	110.7	L923	L923-L925 PolarHBondContact O-N 3.24Å
926	N	23.6	Very low	26.4	Very low	158 Å²	158	145.3 Å²	145.3	85%	0.845	78%	0.78	S	S	*	*			trans	-63.9	130.7	-179.6	-69	-51.2	0	0	0	112.8
927	S	27.5	Very low	26.4	Very low	118 Å²	118	141.7 Å²	141.7	83%	0.825	77%	0.773	S	S	*	*			trans	-157.5	142.7	139.4	57	0	0	0	0	110.8
928	T	27.3	Very low	26.5	Very low	126 Å²	126	141.9 Å²	141.9	77%	0.773	77%	0.77	S	S	*	*			trans	-122.2	117.3	-171.2	-51.8	0	0	0	0	111.3
929	K	26.4	Very low	26.7	Very low	191 Å²	191	140.6 Å²	140.6	83%	0.83	76%	0.764	S	S	*	*			trans	29.2	125.2	151.9	-56.1	178.2	179.8	-179.7	0	119.9
930	Q	27.1	Very low	26.7	Very low	183 Å²	183	141.3 Å²	141.3	86%	0.855	76%	0.758	S	S	*	*				-178.4	117.4	118.1	-94.8	161.9	4.5	0	0	106.5
931	S	22.2	Very low	27	Very low	92 Å²	92	139.4 Å²	139.4	64%	0.643	75%	0.748	S	S	*	*				91	160.2	51	77.7	0	0	0	0	113.3
932	N	28	Very low	27.3	Very low	127 Å²	127	139.7 Å²	139.7	68%	0.679	74%	0.744	S	S	*	*			trans	75.2	143.7	-179.1	-57.4	66.6	0	0	0	114.1
933	D	28.4	Very low	27.5	Very low	132 Å²	132	136 Å²	136	71%	0.706	74%	0.735	S	S	*	*			cis	-165.8	157.9	-8.8	-98.9	-17.1	0	0	0	108.7
934	V	30.2	Very low	27.7	Very low	109 Å²	109	134.8 Å²	134.8	66%	0.661	73%	0.729	S	S	*	*			cis	-171.6	170.2	-17.7	71.5	0	0	0	0	110.4
935	N	27.6	Very low	28	Very low	124 Å²	124	135 Å²	135	66%	0.663	72%	0.723	S	S	*	*			trans	84.9	128.7	154.2	-80.8	1.5	0	0	0	124.8
936	N	28.2	Very low	28.3	Very low	128 Å²	128	133.7 Å²	133.7	68%	0.684	72%	0.717	S	S	*	*			trans	73.9	137.8	137.9	-62.6	12.3	0	0	0	120.5
937	T	27.6	Very low	28.6	Very low	104 Å²	104	129.4 Å²	129.4	64%	0.638	71%	0.71	S	S	*	*			cis	-165.3	-166.9	-16.3	27.7	0	0	0	0	106.5
938	E	27.8	Very low	28.7	Very low	144 Å²	144	126.9 Å²	126.9	67%	0.673	70%	0.703	S	S	*	*			cis	-164	165.4	8	-134	148.8	-80.3	0	0	109.9
939	L	29.6	Very low	28.8	Very low	137 Å²	137	129 Å²	129	72%	0.717	71%	0.709	S	S	*	*			trans	64.9	140	156.7	-61.6	166.9	0	0	0	120.6
940	E	26.7	Very low	29	Very low	144 Å²	144	123.8 Å²	123.8	67%	0.673	70%	0.701	S	S	*	*			cis	-170.5	172.3	-19.9	-152.9	179.1	-132.8	0	0	112.1
941	N	29.8	Very low	29.2	Very low	115 Å²	115	121.3 Å²	121.3	62%	0.615	69%	0.694	S	S	*	*			trans	78	107.2	164	-61.8	-65	0	0	0	117.2
942	H	30.5	Very low	29.6	Very low	164 Å²	164	123.5 Å²	123.5	76%	0.759	70%	0.697	S	S	*	*				82	142	69.6	-79.2	-59	0	0	0	113
943	V	31.2	Very low	29.7	Very low	110 Å²	110	124.2 Å²	124.2	67%	0.667	70%	0.7	S	S	*	*			cis	-155.8	146.1	22.1	94	0	0	0	0	112.2
944	N	31.1	Very low	29.5	Very low	132 Å²	132	122.1 Å²	122.1	71%	0.706	70%	0.696	S	S	*	*			trans	41.3	152.8	150.9	-54.3	4.3	0	0	0	122.1
945	N	31	Very low	29.5	Very low	127 Å²	127	121.8 Å²	121.8	68%	0.679	70%	0.699	S	S	*	*			cis	-161.8	178.3	-12.3	-109	39.2	0	0	0	106.1
946	D	31.9	Very low	29.5	Very low	143 Å²	143	122.3 Å²	122.3	77%	0.765	71%	0.706	S	S	*	*			cis	-137.2	-142.2	3.1	-135.6	-52.1	0	0	0	108.2
947	G	30.9	Very low	29.4	Very low	67 Å²	67	120.1 Å²	120.1	69%	0.691	71%	0.706	S	S	*	*			cis	115.2	122.5	-0	0	0	0	0	0	113.7
948	G	30	Very low	29.5	Very low	66 Å²	66	121.6 Å²	121.6	68%	0.68	72%	0.715	S	S	*	*			cis	176.6	168.3	-8.3	0	0	0	0	0	114.8
949	L	29.8	Very low	29.3	Very low	171 Å²	171	121.5 Å²	121.5	90%	0.895	72%	0.719	S	S	*	*			trans	64.1	123.7	168.3	-80	72.5	0	0	0	117.5
950	A	30.6	Very low	29.4	Very low	81 Å²	81	121 Å²	121	67%	0.669	72%	0.723	S	S	*	*				93.3	150.7	70.8	0	0	0	0	0	111.6
951	D	30.5	Very low	29.3	Very low	131 Å²	131	120.4 Å²	120.4	70%	0.701	73%	0.725	S	S	*	*			cis	-157.1	163	22.6	-116.6	-32.3	0	0	0	112.2
952	I	31.1	Very low	29.2	Very low	138 Å²	138	123.9 Å²	123.9	71%	0.708	74%	0.737	S	S	*	*			trans	48.7	135.4	139	-63.3	162.5	0	0	0	119.4
953	D	28.4	Very low	29	Very low	141 Å²	141	121.3 Å²	121.3	75%	0.754	73%	0.733	S	S	*	*			cis	-157.1	-178.1	45	-143.5	-43.3	0	0	0	115.1
954	S	25.1	Very low	28.7	Very low	88 Å²	88	121.1 Å²	121.1	62%	0.615	74%	0.737	S	S	*	*			trans	-51.7	171.2	175.8	66.1	0	0	0	0	117.6
955	S	29.5	Very low	28.5	Very low	103 Å²	103	120.6 Å²	120.6	72%	0.72	74%	0.739	S	S	*	*				-166.6	168.7	51.8	-101.3	0	0	0	0	117.2
956	T	27.5	Very low	28.2	Very low	134 Å²	134	119.4 Å²	119.4	82%	0.822	74%	0.74	S	S	*	*			trans	-25.9	164.5	164.7	41.9	0	0	0	0	119.8
957	A	26.2	Very low	28.1	Very low	82 Å²	82	122.2 Å²	122.2	68%	0.678	75%	0.746	S	S	*	*			cis	-165.8	170.8	-10.6	0	0	0	0	0	107.6
958	T	30.3	Very low	28	Very low	135 Å²	135	125.7 Å²	125.7	83%	0.828	75%	0.747	S	S	*	*				173.2	154.3	72.5	-48.9	0	0	0	0	109.4
959	L	23.6	Very low	27.9	Very low	143 Å²	143	127.7 Å²	127.7	75%	0.749	75%	0.751	S	S	*	*			trans	-110	163.8	170.7	-81.7	168.2	0	0	0	111.8
960	P	32.1	Very low	27.6	Very low	125 Å²	125	126.6 Å²	126.6	81%	0.812	75%	0.745	S	S	*	*				-140.5	159.8	113.5	37.7	-26	0	0	0	115.5
961	N	24.9	Very low	27.4	Very low	132 Å²	132	131.3 Å²	131.3	71%	0.706	76%	0.759	S	S	*	*			trans	-92.9	161.6	169.9	-49.2	-58.3	0	0	0	111
962	E	27.6	Very low	27.1	Very low	188 Å²	188	129.4 Å²	129.4	88%	0.879	76%	0.755	S	S	*	*				-154.8	130	121.6	-71.1	-145.7	141.2	0	0	107.3
963	T	24.9	Very low	26.9	Very low	110 Å²	110	128.7 Å²	128.7	68%	0.675	76%	0.758	S	S	*	*				90.8	101.9	51.1	-55.9	0	0	0	0	114
964	S	26.8	Very low	26.7	Very low	107 Å²	107	129 Å²	129	75%	0.748	76%	0.759	S	S	*	*			trans	155.6	109.4	138.7	-71	0	0	0	0	110.9
965	T	25.5	Very low	26.9	Very low	121 Å²	121	130.7 Å²	130.7	74%	0.742	77%	0.771	S	S	*	*			cis	98.8	120.8	47.7	57.6	0	0	0	0	116.4
966	S	24.2	Very low	26.8	Very low	101 Å²	101	135.2 Å²	135.2	71%	0.706	78%	0.781	S	S	*	*			trans	79.9	107.3	148.4	73.4	0	0	0	0	122.7
967	K	31.1	Very low	26.8	Very low	203 Å²	203	133.3 Å²	133.3	88%	0.883	77%	0.772	S	S	*	*				174.4	150.9	117	-95.5	168.6	-177.3	175.7	0	110.7
968	I	28.7	Very low	27.2	Very low	140 Å²	140	135.2 Å²	135.2	72%	0.718	78%	0.778	S	S	*	*			cis	-169.5	154.2	-49.5	-109.1	164.4	0	0	0	107.5
969	S	27.4	Very low	27.2	Very low	108 Å²	108	135.4 Å²	135.4	76%	0.755	77%	0.772	S	S	*	*			trans	59.9	117.5	166.5	60.3	0	0	0	0	120.4
970	N	24.3	Very low	27.3	Very low	147 Å²	147	134.8 Å²	134.8	79%	0.786	77%	0.77	S	S	*	*			trans	-70.8	164.2	154.1	-54.8	-28.9	0	0	0	111.1
971	L	26	Very low	27	Very low	181 Å²	181	136.5 Å²	136.5	95%	0.948	77%	0.772	S	S	*	*			trans	-139.8	148.6	141.5	-150.6	74.6	0	0	0	109
972	S	23.4	Very low	27.2	Very low	90 Å²	90	136 Å²	136	63%	0.629	77%	0.774	S	S	*	*			trans	-127.2	-179.4	-165	-56.7	0	0	0	0	112.9
973	T	27	Very low	27.4	Very low	123 Å²	123	132 Å²	132	76%	0.755	77%	0.773	S	S	*	*			trans	80.5	120.8	161.2	48.5	0	0	0	0	119.9
974	D	25.1	Very low	27.9	Very low	147 Å²	147	135.3 Å²	135.3	79%	0.786	78%	0.781	S	S	*	*			trans	77.6	106.5	135.4	-56.4	1.3	0	0	0	121.8
975	S	29.7	Very low	28.5	Very low	124 Å²	124	135.4 Å²	135.4	87%	0.867	78%	0.782	S	S	*	*				-165.9	145.5	106.5	27.3	0	0	0	0	112.5
976	H	26.6	Very low	29.7	Very low	199 Å²	199	138.6 Å²	138.6	92%	0.921	79%	0.788	S	S	*	*			trans	-77.7	136.1	175.6	-73.9	-85.3	0	0	0	112.2
977	S	27.9	Very low	30.9	Very low	93 Å²	93	136 Å²	136	65%	0.65	77%	0.769	S	S	*	*			trans	-154.2	144.5	148.5	59.4	0	0	0	0	111.2
978	P	33.6	Very low	32.8	Very low	123 Å²	123	134.5 Å²	134.5	80%	0.799	77%	0.766	S	S	*	*			trans	-88	127.1	179.8	33	-32.2	0	0	0	111.8
979	I	30.4	Very low	35	Very low	138 Å²	138	130.6 Å²	130.6	71%	0.708	74%	0.743	S	S	*	*			trans	-131.6	96	175.9	-57.4	179.2	0	0	0	106.7
980	N	25.8	Very low	37.6	Very low	131 Å²	131	128 Å²	128	70%	0.701	73%	0.725	S	S	*	*				54.5	104.2	88.1	-80.4	-21.1	0	0	0	114.7
981	N	26.8	Very low	40.3	Very low	160 Å²	160	125.5 Å²	125.5	86%	0.856	72%	0.717	S	S	*	*			trans	40.5	82.8	146.3	-61.2	-7.8	0	0	0	118
982	T	29.5	Very low	43	Very low	122 Å²	122	122.7 Å²	122.7	75%	0.748	70%	0.703	S	S	*	*			trans	-123.3	35.3	161.4	-28.9	0	0	0	0	112.5	Q984	T982-Q984 PolarHBondContact O-N 2.92Å
983	A	31.8	Very low	46.1	Very low	103 Å²	103	120.4 Å²	120.4	85%	0.851	69%	0.685	S	S	*	*			trans	-74.8	37.8	171.2	0	0	0	0	0	112.8
984	Q	33.9	Very low	48.9	Very low	180 Å²	180	115.3 Å²	115.3	84%	0.841	65%	0.653	S	S	*	*			trans	-139.6	46.6	177.8	-72.4	-169.7	-33	0	0	110.3	T982 Q986	T982-Q984 PolarHBondContact O-N 2.92Å; Q984-Q986 PolarHBondContact O-N 3.07Å; Q984-Q986 VanDerWaalsContact O-N 3.16Å
985	S	40.8	Very low	51.7	Low	109 Å²	109	114.7 Å²	114.7	76%	0.762	65%	0.646	S	S	*	*			trans	-61.1	114.3	159.9	52.9	0	0	0	0	108.3	C987	S985-C987 PolarHBondContact O-N 3Å
986	Q	48.8	Very low	54.4	Low	188 Å²	188	112.6 Å²	112.6	88%	0.879	62%	0.624	S	S	*	*			trans	-41.3	125.6	-168.7	-67	160.4	-37.4	0	0	113.7	Q984 E988	Q984-Q986 PolarHBondContact O-N 3.07Å; Q984-Q986 VanDerWaalsContact O-N 3.16Å; Q986-E988 PolarHBondContact O-N 3.44Å
987	C	50.7	Low	57.5	Low	46 Å²	46	103.1 Å²	103.1	31%	0.311	58%	0.581	S	S	.	*			trans	-73.6	123.9	159	-166	0	0	0	0	107.6	Y885 S985 F989	Y885-C987 HydrophobicContact CE1-CB 4.36Å; Y885-C987 HydrophobicContact CE2-CB 4.19Å; S985-C987 PolarHBondContact O-N 3Å; C987-F989 PolarHBondContact O-N 3.4Å
988	E	70.3	Confident	60.4	Low	173 Å²	173	98.9 Å²	98.9	81%	0.808	55%	0.552	S	S	*	*	S	Bend	trans	-71.6	-14.7	-177.8	-167.3	169.6	-162.8	0	0	112.7	Q986	Q986-E988 PolarHBondContact O-N 3.44Å
989	F	74.8	Confident	62.9	Low	57 Å²	57	96.2 Å²	96.2	25%	0.25	53%	0.53	C	S	.	.	S	Bend	trans	-104.4	144.7	-172.7	-51.1	-74.7	0	0	0	112.1	T878 V882 C987 L994 W1051	T878-F989 HydrophobicContact CG2-CE1 3.98Å; T878-F989 HydrophobicContact CG2-CZ 3.74Å; V882-F989 HydrophobicContact CG2-CD2 3.51Å; V882-F989 HydrophobicContact CG2-CE2 3.54Å; V882-F989 HydrophobicContact CG2-CG 4.06Å; V882-F989 HydrophobicContact CG2-CZ 4.1Å; C987-F989 PolarHBondContact O-N 3.4Å; F989-L994 HydrophobicContact CB-CD2 4Å; F989-L994 HydrophobicContact CB-CG 4.25Å; F989-W1051 AromaticContact CD1-CH2 3.9Å; F989-W1051 HydrophobicContact CD1-CH2 3.9Å; F989-W1051 HydrophobicContact CD1-CZ2 4.11Å; F989-W1051 HydrophobicContact CE1-CH2 4.06Å; F989-W1051 AromaticContact CE1-CZ2 3.85Å; F989-W1051 HydrophobicContact CE1-CZ2 3.85Å; F989-W1051 HydrophobicContact CG-CH2 4.42Å
990	S	83.2	Confident	65.8	Low	54 Å²	54	90 Å²	90	38%	0.378	50%	0.498	S	S	.	.			trans	-68.6	148.1	179.4	92.5	0	0	0	0	111.6	N992 T993 L994	S990-N992 PolarHBondContact O-N 2.7Å; S990-T993 WeakPolarHBondContact O-CA 3.42Å; S990-T993 VanDerWaalsContact O-CB 3.3Å; S990-T993 WeakPolarHBondContact O-CB 3.2Å; S990-T993 PolarHBondContact O-N 2.92Å; S990-T993 PolarHBondContact OG-N 2.79Å; S990-T993 VanDerWaalsContact OG-N 3.13Å; S990-T993 PolarHBondContact OG-OG1 3.26Å; S990-L994 PolarHBondContact O-N 3.14Å
991	P	79.9	Confident	68.9	Low	95 Å²	95	83.9 Å²	83.9	62%	0.617	47%	0.466	S	S	*	.	H	α-helix	trans	-54	-39.6	176.7	-27.8	35.9	0	0	0	113.3	T993 L994 E995	P991-T993 VanDerWaalsContact C-N 3.33Å; P991-T993 PolarHBondContact O-N 2.65Å; P991-L994 WeakPolarHBondContact O-CB 3.23Å; P991-L994 PolarHBondContact O-N 3.39Å; P991-E995 PolarHBondContact O-N 3.41Å
992	N	83.6	Confident	71.7	Confident	122 Å²	122	80.1 Å²	80.1	65%	0.652	44%	0.44	S	S	*	.	H	α-helix	trans	-66	-36	178	-59.7	20.5	0	0	0	111.7	S990 L996	S990-N992 PolarHBondContact O-N 2.7Å; N992-L996 WeakPolarHBondContact O-CB 3.22Å; N992-L996 PolarHBondContact O-N 3.37Å
993	T	87.1	Confident	74.4	Confident	41 Å²	41	78.8 Å²	78.8	25%	0.252	42%	0.421	S	S	.	.	H	α-helix	trans	-64.8	-43.1	174.9	-50.3	0	0	0	0	110.7	S990 P991 F997 W1051 L1054	S990-T993 WeakPolarHBondContact O-CA 3.42Å; S990-T993 VanDerWaalsContact O-CB 3.3Å; S990-T993 WeakPolarHBondContact O-CB 3.2Å; S990-T993 PolarHBondContact O-N 2.92Å; S990-T993 PolarHBondContact OG-N 2.79Å; S990-T993 VanDerWaalsContact OG-N 3.13Å; S990-T993 PolarHBondContact OG-OG1 3.26Å; P991-T993 VanDerWaalsContact C-N 3.33Å; P991-T993 PolarHBondContact O-N 2.65Å; T993-F997 WeakPolarHBondContact O-CB 3.35Å; T993-F997 PolarHBondContact O-N 2.69Å; T993-W1051 HydrophobicContact CG2-CH2 4.35Å; T993-W1051 HydrophobicContact CG2-CZ3 4.5Å; T993-L1054 HydrophobicContact CG2-CD1 3.75Å
994	L	86.7	Confident	77.2	Confident	16 Å²	16	73.9 Å²	73.9	8%	0.084	38%	0.381	C	S	.	.	H	α-helix	trans	-64.1	-47.4	177.8	-63.9	172.9	0	0	0	111.6	V882 Y885 L886 F989 S990 P991 F997 A998	V882-L994 HydrophobicContact CG1-CD2 3.59Å; V882-L994 HydrophobicContact CG2-CD2 4.34Å; Y885-L994 HydrophobicContact CD1-CD1 4.33Å; Y885-L994 HydrophobicContact CE1-CD1 3.9Å; L886-L994 HydrophobicContact CD2-CB 4.43Å; F989-L994 HydrophobicContact CB-CD2 4Å; F989-L994 HydrophobicContact CB-CG 4.25Å; S990-L994 PolarHBondContact O-N 3.14Å; P991-L994 WeakPolarHBondContact O-CB 3.23Å; P991-L994 PolarHBondContact O-N 3.39Å; L994-F997 PolarHBondContact O-N 3.35Å; L994-A998 WeakPolarHBondContact O-CB 3.44Å; L994-A998 PolarHBondContact O-N 3.34Å
995	E	84	Confident	79.8	Confident	134 Å²	134	66.6 Å²	66.6	63%	0.626	35%	0.348	S	S	*	.	H	α-helix	trans	-65.3	-43.6	179.4	-171.2	173.1	-159.8	0	0	112	P991 A998 D999	P991-E995 PolarHBondContact O-N 3.41Å; E995-A998 WeakPolarHBondContact O-CB 3.34Å; E995-A998 PolarHBondContact O-N 3.39Å; E995-D999 PolarHBondContact O-N 2.49Å
996	L	86.9	Confident	81.8	Confident	80 Å²	80	66.2 Å²	66.2	42%	0.419	33%	0.332	S	S	.	.	H	α-helix	trans	-66.7	-37.1	177.4	-177.2	59.4	0	0	0	112.6	N992 N1000 L1054	N992-L996 WeakPolarHBondContact O-CB 3.22Å; N992-L996 PolarHBondContact O-N 3.37Å; L996-N1000 PolarHBondContact O-N 2.76Å; L996-N1000 PolarHBondContact O-ND2 3.4Å; L996-L1054 HydrophobicContact CD2-CB 4.36Å; L996-L1054 WeakPolarHBondContact CD2-O 3.32Å
997	F	92.2	Very high	83.7	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-71.3	-39.8	174.2	-175	-118.9	0	0	0	111.7	W879 V882 V883 T993 L994 N1000 L1001 W1051 L1054	W879-F997 HydrophobicContact CB-CE1 3.83Å; W879-F997 HydrophobicContact CB-CE2 4.47Å; W879-F997 HydrophobicContact CB-CZ 3.66Å; W879-F997 HydrophobicContact CD2-CE1 4.48Å; W879-F997 AromaticContact CD2-CZ 3.93Å; W879-F997 HydrophobicContact CD2-CZ 3.93Å; W879-F997 HydrophobicContact CE3-CE1 4.2Å; W879-F997 AromaticContact CE3-CZ 3.95Å; W879-F997 HydrophobicContact CE3-CZ 3.95Å; W879-F997 HydrophobicContact CG-CE1 4.38Å; W879-F997 AromaticContact CG-CZ 3.83Å; W879-F997 HydrophobicContact CG-CZ 3.83Å; V882-F997 HydrophobicContact CG1-CD1 3.95Å; V882-F997 HydrophobicContact CG1-CE1 4.43Å; V883-F997 HydrophobicContact CG2-CE1 4.01Å; T993-F997 WeakPolarHBondContact O-CB 3.35Å; T993-F997 PolarHBondContact O-N 2.69Å; L994-F997 PolarHBondContact O-N 3.35Å; F997-N1000 PolarHBondContact O-N 3.37Å; F997-L1001 HydrophobicContact CE1-CD2 4.36Å; F997-L1001 HydrophobicContact CZ-CD1 4.25Å; F997-L1001 VanDerWaalsContact O-CB 3.32Å; F997-L1001 WeakPolarHBondContact O-CB 3.26Å; F997-L1001 PolarHBondContact O-N 3.07Å; F997-W1051 HydrophobicContact CB-CE3 4.35Å; F997-W1051 HydrophobicContact CB-CZ3 4.22Å; F997-W1051 AromaticContact CD1-CE3 3.95Å; F997-W1051 HydrophobicContact CD1-CE3 3.95Å; F997-W1051 HydrophobicContact CD1-CZ3 4.03Å; F997-W1051 AromaticContact CD2-CE3 3.77Å; F997-W1051 HydrophobicContact CD2-CE3 3.77Å; F997-W1051 HydrophobicContact CD2-CZ3 4.45Å; F997-W1051 HydrophobicContact CE1-CE3 4.15Å; F997-W1051 HydrophobicContact CE2-CB 4.09Å; F997-W1051 AromaticContact CE2-CE3 3.98Å; F997-W1051 HydrophobicContact CE2-CE3 3.98Å; F997-W1051 AromaticContact CG-CE3 3.75Å; F997-W1051 HydrophobicContact CG-CE3 3.75Å; F997-W1051 AromaticContact CG-CZ3 3.98Å; F997-W1051 HydrophobicContact CG-CZ3 3.98Å; F997-W1051 HydrophobicContact CZ-CE3 4.17Å; F997-L1054 HydrophobicContact CB-CD2 3.99Å; F997-L1054 HydrophobicContact CD2-CD2 3.9Å; F997-L1054 HydrophobicContact CG-CD2 4.4Å
998	A	87.6	Confident	85.5	Confident	5 Å²	5	55.7 Å²	55.7	4%	0.041	28%	0.279	C	S	.	.	H	α-helix	trans	-56	-51.7	174.2	0	0	0	0	0	113	L886 Y892 L994 E995 N1000 L1001 Y1002	L886-A998 HydrophobicContact CD1-CB 4.3Å; Y892-A998 HydrophobicContact CD2-CB 3.94Å; Y892-A998 HydrophobicContact CE2-CB 3.47Å; Y892-A998 VanDerWaalsContact CE2-CB 3.47Å; L994-A998 WeakPolarHBondContact O-CB 3.44Å; L994-A998 PolarHBondContact O-N 3.34Å; E995-A998 WeakPolarHBondContact O-CB 3.34Å; E995-A998 PolarHBondContact O-N 3.39Å; A998-N1000 VanDerWaalsContact C-N 3.26Å; A998-N1000 PolarHBondContact O-N 2.82Å; A998-L1001 PolarHBondContact O-N 3.22Å; A998-Y1002 PolarHBondContact O-N 3.25Å
999	D	86.3	Confident	86.2	Confident	66 Å²	66	50.4 Å²	50.4	35%	0.353	26%	0.259	S	S	.	.	H	α-helix	trans	-58.5	-38.8	178.1	-112.2	14	0	0	0	111.8	E995 R1003	E995-D999 PolarHBondContact O-N 2.49Å; D999-R1003 VanDerWaalsContact O-CD 3.32Å; D999-R1003 WeakPolarHBondContact O-CD 3.45Å; D999-R1003 VanDerWaalsContact O-CG 3.26Å; D999-R1003 WeakPolarHBondContact O-CG 3.31Å; D999-R1003 PolarHBondContact O-N 3.14Å
1000	N	91.6	Very high	86.6	Confident	7 Å²	7	51.1 Å²	51.1	4%	0.037	26%	0.26	C	S	.	.	H	α-helix	trans	-72.5	-43.6	176.6	-79	-58.6	0	0	0	112.4	L996 F997 A998 Y1002 R1003 I1004 V1050 Y1058	L996-N1000 PolarHBondContact O-N 2.76Å; L996-N1000 PolarHBondContact O-ND2 3.4Å; F997-N1000 PolarHBondContact O-N 3.37Å; A998-N1000 VanDerWaalsContact C-N 3.26Å; A998-N1000 PolarHBondContact O-N 2.82Å; N1000-Y1002 VanDerWaalsContact C-N 3.35Å; N1000-Y1002 PolarHBondContact O-N 2.87Å; N1000-R1003 WeakPolarHBondContact O-CA 3.29Å; N1000-R1003 WeakPolarHBondContact O-CB 3.38Å; N1000-R1003 PolarHBondContact O-N 2.93Å; N1000-R1003 PolarHBondContact OD1-NH1 2.94Å; N1000-I1004 VanDerWaalsContact O-CG1 3.31Å; N1000-I1004 WeakPolarHBondContact O-CG1 3.49Å; N1000-I1004 PolarHBondContact O-N 3.29Å; N1000-V1050 HydrophobicContact CB-CG1 3.85Å; N1000-Y1058 PolarHBondContact OD1-N 3.04Å
1001	L	89.6	Confident	86.7	Confident	3 Å²	3	48.5 Å²	48.5	2%	0.016	24%	0.242	C	C	.	.	H	α-helix	trans	-60.9	-42.3	-179.9	-168.7	67.9	0	0	0	111.9	V883 F997 A998 R1003 I1004 D1005 S1047	V883-L1001 HydrophobicContact CG2-CD2 3.49Å; V883-L1001 VanDerWaalsContact CG2-CD2 3.49Å; F997-L1001 HydrophobicContact CE1-CD2 4.36Å; F997-L1001 HydrophobicContact CZ-CD1 4.25Å; F997-L1001 VanDerWaalsContact O-CB 3.32Å; F997-L1001 WeakPolarHBondContact O-CB 3.26Å; F997-L1001 PolarHBondContact O-N 3.07Å; A998-L1001 PolarHBondContact O-N 3.22Å; L1001-R1003 VanDerWaalsContact C-N 3.28Å; L1001-R1003 PolarHBondContact O-N 3.32Å; L1001-I1004 PolarHBondContact O-N 3.23Å; L1001-D1005 WeakPolarHBondContact O-CB 3.42Å; L1001-D1005 PolarHBondContact O-N 3.37Å; L1001-S1047 WeakPolarHBondContact CD1-OG 3.47Å
1002	Y	86.1	Confident	86.9	Confident	81 Å²	81	44.8 Å²	44.8	32%	0.318	22%	0.217	S	C	.	.	H	α-helix	trans	-57.9	-40.1	172.6	171.3	-104.8	0	0	0	112.4	I899 A998 N1000 K1006	I899-Y1002 HydrophobicContact CD1-CD2 4.07Å; I899-Y1002 HydrophobicContact CD1-CE2 3.45Å; I899-Y1002 VanDerWaalsContact CD1-CE2 3.45Å; A998-Y1002 PolarHBondContact O-N 3.25Å; N1000-Y1002 VanDerWaalsContact C-N 3.35Å; N1000-Y1002 PolarHBondContact O-N 2.87Å; Y1002-K1006 HydrophobicContact CE1-CD 4.23Å; Y1002-K1006 VanDerWaalsContact O-CB 3.28Å; Y1002-K1006 WeakPolarHBondContact O-CB 3.26Å; Y1002-K1006 PolarHBondContact O-N 3.5Å
1003	R	87.6	Confident	86.8	Confident	94 Å²	94	42.8 Å²	42.8	36%	0.355	20%	0.2	S	C	.	.	H	α-helix	trans	-71.9	-35.7	178.5	-66.6	166.9	61.2	-128.3	-8.5	112.3	D999 N1000 L1001 D1007 Y1058	D999-R1003 VanDerWaalsContact O-CD 3.32Å; D999-R1003 WeakPolarHBondContact O-CD 3.45Å; D999-R1003 VanDerWaalsContact O-CG 3.26Å; D999-R1003 WeakPolarHBondContact O-CG 3.31Å; D999-R1003 PolarHBondContact O-N 3.14Å; N1000-R1003 WeakPolarHBondContact O-CA 3.29Å; N1000-R1003 WeakPolarHBondContact O-CB 3.38Å; N1000-R1003 PolarHBondContact O-N 2.93Å; N1000-R1003 PolarHBondContact OD1-NH1 2.94Å; L1001-R1003 VanDerWaalsContact C-N 3.28Å; L1001-R1003 PolarHBondContact O-N 3.32Å; R1003-D1007 PolarHBondContact O-N 2.91Å; R1003-Y1058 HydrophobicContact CB-CD1 3.84Å; R1003-Y1058 HydrophobicContact CB-CE1 4.45Å; R1003-Y1058 PolarHBondContact NH1-O 3.4Å; R1003-Y1058 PolarHBondContact NH2-O 3.23Å
1004	I	90.5	Very high	86.4	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-62.7	-53.3	172.2	-65.6	165.5	0	0	0	109.7	N1000 L1001 K1006 D1007 V1008 I1046 V1050 Y1058	N1000-I1004 VanDerWaalsContact O-CG1 3.31Å; N1000-I1004 WeakPolarHBondContact O-CG1 3.49Å; N1000-I1004 PolarHBondContact O-N 3.29Å; L1001-I1004 PolarHBondContact O-N 3.23Å; I1004-K1006 VanDerWaalsContact C-N 3.26Å; I1004-K1006 PolarHBondContact O-N 3.16Å; I1004-D1007 PolarHBondContact O-N 2.87Å; I1004-V1008 HydrophobicContact CG2-CG2 3.95Å; I1004-V1008 WeakPolarHBondContact O-CB 3.42Å; I1004-V1008 WeakPolarHBondContact O-CG2 3.28Å; I1004-V1008 PolarHBondContact O-N 3.1Å; I1004-I1046 HydrophobicContact CB-CG2 4.48Å; I1004-I1046 HydrophobicContact CD1-CG2 3.79Å; I1004-I1046 HydrophobicContact CG1-CG2 3.7Å; I1004-I1046 HydrophobicContact CG2-CB 4.04Å; I1004-I1046 HydrophobicContact CG2-CG2 3.98Å; I1004-V1050 HydrophobicContact CD1-CB 4.2Å; I1004-V1050 HydrophobicContact CD1-CG1 4.44Å; I1004-V1050 HydrophobicContact CD1-CG2 4.14Å; I1004-Y1058 HydrophobicContact CD1-CD2 4.42Å; I1004-Y1058 HydrophobicContact CD1-CG 4.45Å; I1004-Y1058 HydrophobicContact CG1-CD1 4.13Å; I1004-Y1058 HydrophobicContact CG1-CD2 3.61Å; I1004-Y1058 HydrophobicContact CG1-CE2 4.19Å; I1004-Y1058 HydrophobicContact CG1-CG 3.58Å
1005	D	86.9	Confident	86.2	Confident	28 Å²	28	49.3 Å²	49.3	15%	0.15	23%	0.232	C	C	.	.	H	α-helix	trans	-58.6	-39.1	-178.7	-75.9	-23.5	0	0	0	111.5	L1001 D1007 T1009 R1043	L1001-D1005 WeakPolarHBondContact O-CB 3.42Å; L1001-D1005 PolarHBondContact O-N 3.37Å; D1005-D1007 PolarHBondContact O-N 3.27Å; D1005-T1009 VanDerWaalsContact O-CB 3.3Å; D1005-T1009 WeakPolarHBondContact O-CB 3.47Å; D1005-T1009 WeakPolarHBondContact O-CG2 3.21Å; D1005-T1009 PolarHBondContact O-N 2.9Å; D1005-T1009 PolarHBondContact O-OG1 3.37Å; D1005-R1043 WeakPolarHBondContact OD1-CD 3.1Å; D1005-R1043 IonicContact OD1-CZ 3.71Å; D1005-R1043 IonicContact OD1-NE 3.3Å; D1005-R1043 PolarHBondContact OD1-NE 3.29Å; D1005-R1043 IonicContact OD1-NH2 2.94Å; D1005-R1043 PolarHBondContact OD1-NH2 3.43Å; D1005-R1043 IonicContact OD2-CZ 2.83Å; D1005-R1043 IonicContact OD2-NE 3.99Å; D1005-R1043 IonicContact OD2-NH2 3.75Å; D1005-R1043 PolarHBondContact OD2-NH2 3.03Å
1006	K	84.1	Confident	86	Confident	100 Å²	100	50.4 Å²	50.4	44%	0.435	24%	0.237	S	C	.	.	H	α-helix	trans	-67.4	-26.2	175.3	-173.8	173.5	-174.8	168.3	0	114.8	Y1002 I1004 T1009 R1010	Y1002-K1006 HydrophobicContact CE1-CD 4.23Å; Y1002-K1006 VanDerWaalsContact O-CB 3.28Å; Y1002-K1006 WeakPolarHBondContact O-CB 3.26Å; Y1002-K1006 PolarHBondContact O-N 3.5Å; I1004-K1006 VanDerWaalsContact C-N 3.26Å; I1004-K1006 PolarHBondContact O-N 3.16Å; K1006-T1009 PolarHBondContact O-OG1 3.29Å; K1006-R1010 WeakPolarHBondContact O-CG 3.43Å; K1006-R1010 PolarHBondContact O-NE 3.05Å
1007	D	87.7	Confident	85.8	Confident	10 Å²	10	48 Å²	48	5%	0.053	22%	0.223	C	C	.	.	H	α-helix	trans	-92.4	-41.1	177.7	-85.3	5	0	0	0	112	R1003 I1004 D1005 R1010 C1011 Y1058	R1003-D1007 PolarHBondContact O-N 2.91Å; I1004-D1007 PolarHBondContact O-N 2.87Å; D1005-D1007 PolarHBondContact O-N 3.27Å; D1007-R1010 CarbonylContact O-C 3.54Å; D1007-R1010 PolarHBondContact O-N 3.29Å; D1007-R1010 VanDerWaalsContact O-N 3.14Å; D1007-R1010 IonicContact OD1-CZ 2.87Å; D1007-R1010 IonicContact OD1-NH2 3.17Å; D1007-R1010 PolarHBondContact OD1-NH2 2.69Å; D1007-C1011 PolarHBondContact O-N 2.82Å; D1007-C1011 VanDerWaalsContact O-N 3.09Å; D1007-Y1058 HydrophobicContact CB-CE1 4.2Å; D1007-Y1058 VanDerWaalsContact CB-OH 3.26Å; D1007-Y1058 WeakPolarHBondContact CB-OH 3.49Å; D1007-Y1058 VanDerWaalsContact OD2-CE1 3.31Å; D1007-Y1058 WeakPolarHBondContact OD2-CE1 3.3Å; D1007-Y1058 PolarHBondContact OD2-OH 3.02Å
1008	V	88.4	Confident	85.5	Confident	3 Å²	3	48 Å²	48	2%	0.018	22%	0.223	C	C	.	.	H	α-helix	trans	-60	-46.2	173.8	171	0	0	0	0	111.2	I1004 R1010 C1011 L1039 L1042 R1043 I1046	I1004-V1008 HydrophobicContact CG2-CG2 3.95Å; I1004-V1008 WeakPolarHBondContact O-CB 3.42Å; I1004-V1008 WeakPolarHBondContact O-CG2 3.28Å; I1004-V1008 PolarHBondContact O-N 3.1Å; V1008-R1010 PolarHBondContact O-N 3.29Å; V1008-C1011 VanDerWaalsContact O-CB 3.29Å; V1008-C1011 WeakPolarHBondContact O-CB 3.47Å; V1008-C1011 PolarHBondContact O-N 2.87Å; V1008-L1039 HydrophobicContact CG1-CB 4.38Å; V1008-L1039 HydrophobicContact CG1-CD2 4.21Å; V1008-L1039 WeakPolarHBondContact CG1-O 3.39Å; V1008-L1042 HydrophobicContact CG1-CD2 4.29Å; V1008-L1042 HydrophobicContact CG2-CD2 4.21Å; V1008-L1042 HydrophobicContact CG2-CG 4.41Å; V1008-R1043 HydrophobicContact CG1-CB 4.26Å; V1008-R1043 HydrophobicContact CG2-CB 4.46Å; V1008-I1046 HydrophobicContact CG2-CD1 3.99Å
1009	T	84.6	Confident	85.1	Confident	63 Å²	63	52.1 Å²	52.1	39%	0.387	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-22	177.5	46.7	0	0	0	0	113.6	D1005 K1006 R1013	D1005-T1009 VanDerWaalsContact O-CB 3.3Å; D1005-T1009 WeakPolarHBondContact O-CB 3.47Å; D1005-T1009 WeakPolarHBondContact O-CG2 3.21Å; D1005-T1009 PolarHBondContact O-N 2.9Å; D1005-T1009 PolarHBondContact O-OG1 3.37Å; K1006-T1009 PolarHBondContact O-OG1 3.29Å; T1009-R1013 VanDerWaalsContact O-CZ 3.31Å; T1009-R1013 PolarHBondContact O-NE 3.26Å; T1009-R1013 PolarHBondContact O-NH2 2.97Å
1010	R	83.9	Confident	84	Confident	71 Å²	71	52.3 Å²	52.3	27%	0.268	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.3	-4.8	176.2	-61.3	-175.3	-69.3	165.7	0.3	113.3	K1006 D1007 V1008 D1012 R1137	K1006-R1010 WeakPolarHBondContact O-CG 3.43Å; K1006-R1010 PolarHBondContact O-NE 3.05Å; D1007-R1010 CarbonylContact O-C 3.54Å; D1007-R1010 PolarHBondContact O-N 3.29Å; D1007-R1010 VanDerWaalsContact O-N 3.14Å; D1007-R1010 IonicContact OD1-CZ 2.87Å; D1007-R1010 IonicContact OD1-NH2 3.17Å; D1007-R1010 PolarHBondContact OD1-NH2 2.69Å; V1008-R1010 PolarHBondContact O-N 3.29Å; R1010-D1012 PolarHBondContact O-N 3.44Å; R1010-R1137 PolarHBondContact O-NH1 3.09Å; R1010-R1137 VanDerWaalsContact O-NH1 3.11Å; R1010-R1137 PolarHBondContact O-NH2 3.14Å
1011	C	85.5	Confident	82.3	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	26%	0.261	C	S	.	.	S	Bend	trans	-67.5	118	-169.1	-163.4	0	0	0	0	112.2	D1007 V1008 R1013 L1042	D1007-C1011 PolarHBondContact O-N 2.82Å; D1007-C1011 VanDerWaalsContact O-N 3.09Å; V1008-C1011 VanDerWaalsContact O-CB 3.29Å; V1008-C1011 WeakPolarHBondContact O-CB 3.47Å; V1008-C1011 PolarHBondContact O-N 2.87Å; C1011-R1013 WeakPolarHBondContact O-CD 2.95Å; C1011-R1013 PolarHBondContact O-N 3.36Å; C1011-L1042 HydrophobicContact CB-CD2 3.75Å
1012	D	83.7	Confident	80.6	Confident	17 Å²	17	62.9 Å²	62.9	9%	0.091	30%	0.297	C	S	.	.			trans	22.7	50.2	172.8	-61.9	8.8	0	0	0	116.4	R1010 N1014 H1015 R1137 K1313 R1314 Y1318	R1010-D1012 PolarHBondContact O-N 3.44Å; D1012-N1014 PolarHBondContact O-N 2.7Å; D1012-H1015 WeakPolarHBondContact O-CB 3.36Å; D1012-H1015 PolarHBondContact O-N 2.85Å; D1012-R1137 IonicContact OD1-CZ 2.63Å; D1012-R1137 IonicContact OD1-NH1 3.68Å; D1012-R1137 PolarHBondContact OD1-NH1 3.34Å; D1012-R1137 IonicContact OD1-NH2 3.76Å; D1012-K1313 IonicContact OD2-NZ 2.86Å; D1012-K1313 PolarHBondContact OD2-NZ 3.11Å; D1012-R1314 IonicContact OD1-CZ 2.89Å; D1012-R1314 VanDerWaalsContact OD1-CZ 3.3Å; D1012-R1314 IonicContact OD1-NH1 2.68Å; D1012-R1314 PolarHBondContact OD1-NH1 3.47Å; D1012-R1314 IonicContact OD1-NH2 2.24Å; D1012-R1314 PolarHBondContact OD1-NH2 3.14Å; D1012-R1314 IonicContact OD2-NH1 3.8Å; D1012-Y1318 HydrophobicContact CB-CE2 4.28Å; D1012-Y1318 PolarHBondContact OD2-OH 2.95Å
1013	R	81.6	Confident	78.8	Confident	79 Å²	79	65.2 Å²	65.2	30%	0.298	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-12.9	-175.4	-61.8	-58.9	-154.8	121	13.6	115.7	T1009 C1011 H1015 F1018 T1020	T1009-R1013 VanDerWaalsContact O-CZ 3.31Å; T1009-R1013 PolarHBondContact O-NE 3.26Å; T1009-R1013 PolarHBondContact O-NH2 2.97Å; C1011-R1013 WeakPolarHBondContact O-CD 2.95Å; C1011-R1013 PolarHBondContact O-N 3.36Å; R1013-H1015 VanDerWaalsContact C-N 3.33Å; R1013-F1018 VanDerWaalsContact CD-O 3.27Å; R1013-F1018 WeakPolarHBondContact CD-O 3.42Å; R1013-T1020 PolarHBondContact NH1-OG1 2.77Å
1014	N	78.7	Confident	76.6	Confident	142 Å²	142	69.2 Å²	69.2	76%	0.759	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.2	-15.5	176	-62.1	10.5	0	0	0	112.1	D1012	D1012-N1014 PolarHBondContact O-N 2.7Å
1015	H	82.6	Confident	74	Confident	53 Å²	53	74.4 Å²	74.4	25%	0.245	36%	0.363	C	S	.	.	S	Bend	trans	-89	135.2	177.9	-170.8	-102.9	0	0	0	110.4	D1012 R1013 F1017 F1018 M1019 Y1318	D1012-H1015 WeakPolarHBondContact O-CB 3.36Å; D1012-H1015 PolarHBondContact O-N 2.85Å; R1013-H1015 VanDerWaalsContact C-N 3.33Å; H1015-F1017 VanDerWaalsContact C-N 3.26Å; H1015-F1017 WeakPolarHBondContact ND1-CB 3.08Å; H1015-F1017 PolarHBondContact O-N 2.67Å; H1015-F1017 VanDerWaalsContact O-N 3.14Å; H1015-F1018 CarbonylContact O-C 3.25Å; H1015-F1018 PolarHBondContact O-N 3.39Å; H1015-M1019 PolarHBondContact O-N 2.8Å; H1015-Y1318 HydrophobicContact CB-CD2 4.38Å; H1015-Y1318 HydrophobicContact CB-CE2 4.14Å; H1015-Y1318 AromaticContact CD2-CD2 3.47Å; H1015-Y1318 VanDerWaalsContact CD2-CD2 3.47Å; H1015-Y1318 WeakPolarHBondContact CD2-CD2 3.36Å; H1015-Y1318 AromaticContact CD2-CG 4Å; H1015-Y1318 AromaticContact CG-CD2 3.88Å; H1015-Y1318 AromaticContact CG-CE2 3.99Å; H1015-Y1318 AromaticContact NE2-CD2 3.89Å; H1015-Y1318 AromaticContact NE2-CG 3.92Å
1016	E	80.7	Confident	71.5	Confident	157 Å²	157	83 Å²	83	73%	0.734	40%	0.4	S	S	*	.	G	3₁₀ helix	trans	-50.4	-44.3	-173	-174.2	171.3	-172.7	0	0	113	F1018 M1019	E1016-F1018 PolarHBondContact O-N 3.11Å; E1016-F1018 VanDerWaalsContact O-N 3.17Å; E1016-M1019 PolarHBondContact O-N 2.71Å
1017	F	82.4	Confident	69	Low	30 Å²	30	82.8 Å²	82.8	13%	0.132	41%	0.41	C	S	.	.	G	3₁₀ helix	trans	-61.3	-22.6	-179.8	-167.2	-88.4	0	0	0	115.1	H1015 N1038 L1070 I1071 Q1074	H1015-F1017 VanDerWaalsContact C-N 3.26Å; H1015-F1017 WeakPolarHBondContact ND1-CB 3.08Å; H1015-F1017 PolarHBondContact O-N 2.67Å; H1015-F1017 VanDerWaalsContact O-N 3.14Å; F1017-N1038 HydrophobicContact CD1-CB 3.98Å; F1017-N1038 HydrophobicContact CE1-CB 3.72Å; F1017-N1038 VanDerWaalsContact CE1-CG 3.5Å; F1017-N1038 HydrophobicContact CZ-CB 4.29Å; F1017-N1038 VanDerWaalsContact O-CB 3.32Å; F1017-N1038 WeakPolarHBondContact O-CB 3.37Å; F1017-N1038 PolarHBondContact O-ND2 3.17Å; F1017-N1038 VanDerWaalsContact O-ND2 3.08Å; F1017-L1070 HydrophobicContact CE1-CD2 4.26Å; F1017-L1070 HydrophobicContact CE1-CG 3.94Å; F1017-L1070 HydrophobicContact CZ-CG 4.22Å; F1017-I1071 HydrophobicContact CB-CG1 4.02Å; F1017-I1071 HydrophobicContact CD1-CG1 3.61Å; F1017-I1071 HydrophobicContact CD2-CG1 4.2Å; F1017-I1071 HydrophobicContact CE1-CG1 4.04Å; F1017-I1071 HydrophobicContact CG-CG1 3.7Å; F1017-I1071 HydrophobicContact CZ-CG1 4.49Å; F1017-Q1074 HydrophobicContact CE2-CG 4.1Å; F1017-Q1074 HydrophobicContact CZ-CG 4.36Å
1018	F	85.3	Confident	66.2	Low	0 Å²	0	86.6 Å²	86.6	0%	0	44%	0.438	C	S	.	.	G	3₁₀ helix	trans	-122.8	4.9	-177.1	-63.3	-59.9	0	0	0	113.9	R1013 H1015 E1016 N1038 L1039 L1042 A1067 L1070 I1071	R1013-F1018 VanDerWaalsContact CD-O 3.27Å; R1013-F1018 WeakPolarHBondContact CD-O 3.42Å; H1015-F1018 CarbonylContact O-C 3.25Å; H1015-F1018 PolarHBondContact O-N 3.39Å; E1016-F1018 PolarHBondContact O-N 3.11Å; E1016-F1018 VanDerWaalsContact O-N 3.17Å; F1018-N1038 HydrophobicContact CD1-CB 4.49Å; F1018-L1039 HydrophobicContact CB-CD2 4.23Å; F1018-L1039 HydrophobicContact CD1-CD2 3.75Å; F1018-L1039 HydrophobicContact CD1-CG 4.28Å; F1018-L1039 HydrophobicContact CG-CD2 4.34Å; F1018-L1042 HydrophobicContact CE1-CB 4.37Å; F1018-L1042 HydrophobicContact CE1-CD1 4.35Å; F1018-L1042 HydrophobicContact CE1-CD2 4.22Å; F1018-L1042 HydrophobicContact CZ-CD1 4.23Å; F1018-A1067 HydrophobicContact CE2-CB 3.79Å; F1018-A1067 HydrophobicContact CZ-CB 3.99Å; F1018-L1070 HydrophobicContact CE1-CD2 4.12Å; F1018-L1070 HydrophobicContact CZ-CD2 4.3Å; F1018-I1071 HydrophobicContact CD2-CD1 4.29Å; F1018-I1071 HydrophobicContact CE2-CD1 3.6Å; F1018-I1071 HydrophobicContact CE2-CG1 3.96Å; F1018-I1071 HydrophobicContact CZ-CD1 4.36Å; F1018-I1071 HydrophobicContact CZ-CG1 4.27Å
1019	M	78.8	Confident	63.7	Low	91 Å²	91	96.5 Å²	96.5	45%	0.448	48%	0.481	S	S	.	.			trans	-65.2	161.5	175.2	-167.7	169	62.2	0	0	110.2	H1015 E1016 L1035	H1015-M1019 PolarHBondContact O-N 2.8Å; E1016-M1019 PolarHBondContact O-N 2.71Å; M1019-L1035 HydrophobicContact CB-CD2 4.25Å; M1019-L1035 WeakPolarHBondContact O-CD2 3.48Å; M1019-L1035 VanDerWaalsContact O-CG 3.27Å; M1019-L1035 WeakPolarHBondContact O-CG 3.46Å
1020	T	64.8	Low	61.7	Low	70 Å²	70	101.2 Å²	101.2	43%	0.429	50%	0.499	S	S	.	.			trans	-116.8	137.9	167.7	28.9	0	0	0	0	110.5	R1013 K1022	R1013-T1020 PolarHBondContact NH1-OG1 2.77Å; T1020-K1022 PolarHBondContact O-N 3.02Å
1021	P	55.8	Low	59.4	Low	53 Å²	53	103.8 Å²	103.8	34%	0.344	52%	0.517	S	S	.	.			trans	-68.1	131.5	-175.3	27.6	-33.4	0	0	0	110.9	L1032	P1021-L1032 HydrophobicContact CB-CD1 3.95Å; P1021-L1032 HydrophobicContact CB-CG 4.47Å; P1021-L1032 HydrophobicContact CG-CD1 3.92Å; P1021-L1032 HydrophobicContact CG-CG 3.89Å
1022	K	52.7	Low	56.9	Low	179 Å²	179	108.8 Å²	108.8	78%	0.778	54%	0.544	S	S	*	.			trans	-72.3	135.7	173.8	-64.2	-175.7	178	-175.7	0	109.5	T1020 E1024	T1020-K1022 PolarHBondContact O-N 3.02Å; K1022-E1024 PolarHBondContact O-N 3.06Å
1023	K	48.3	Very low	54.8	Low	130 Å²	130	111.5 Å²	111.5	57%	0.565	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.5	18.6	-166.8	-69.6	-172.7	171.5	-179.6	0	116.5	E910	E910-K1023 IonicContact OE1-NZ 2.65Å; E910-K1023 PolarHBondContact OE1-NZ 2.7Å; E910-K1023 IonicContact OE2-NZ 2.77Å; E910-K1023 PolarHBondContact OE2-NZ 3.21Å
1024	E	42	Very low	53.2	Low	177 Å²	177	112.2 Å²	112.2	83%	0.827	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.8	-19.9	-168.1	-62.6	-172.4	137.5	0	0	114.6	K1022 K1026	K1022-E1024 PolarHBondContact O-N 3.06Å; E1024-K1026 PolarHBondContact O-N 2.99Å
1025	T	35.8	Very low	51.7	Low	109 Å²	109	107.6 Å²	107.6	67%	0.669	55%	0.546	S	S	*	.			trans	-99.2	85.1	179.2	41	0	0	0	0	112.7	S1027	T1025-S1027 PolarHBondContact O-N 2.97Å
1026	K	35.2	Very low	50.6	Low	209 Å²	209	107.2 Å²	107.2	91%	0.909	55%	0.549	S	S	*	.			trans	-71.3	35.2	175.8	-69.5	-172.2	174.1	-178.4	0	114.6	E1024	E1024-K1026 PolarHBondContact O-N 2.99Å
1027	S	30.4	Very low	50.5	Low	95 Å²	95	101.6 Å²	101.6	66%	0.664	53%	0.527	S	S	*	.	S	Bend	trans	-143.4	39.3	-166.4	64.5	0	0	0	0	114.9	T1025	T1025-S1027 PolarHBondContact O-N 2.97Å
1028	S	29.7	Very low	50.7	Low	90 Å²	90	101 Å²	101	63%	0.629	53%	0.526	S	S	*	.			trans	-168.6	93.4	157.5	-83.4	0	0	0	0	110.2	H1030	S1028-H1030 PolarHBondContact O-N 3.05Å
1029	F	34.6	Very low	50.8	Low	212 Å²	212	101.6 Å²	101.6	93%	0.93	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-0	-168.7	-158.4	-105	0	0	0	115
1030	H	43	Very low	51.3	Low	162 Å²	162	100 Å²	100	75%	0.75	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.9	-19.4	-171.3	-115.8	-68.8	0	0	0	116.2	S1028	S1028-H1030 PolarHBondContact O-N 3.05Å
1031	N	36.5	Very low	52.7	Low	124 Å²	124	99 Å²	99	66%	0.663	51%	0.511	S	S	*	.	S	Bend	trans	-103.5	6.2	-174.2	-65	18.4	0	0	0	113.3
1032	L	31.7	Very low	54.5	Low	105 Å²	105	96.4 Å²	96.4	55%	0.55	49%	0.494	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-16.4	-175	-131.1	74.7	0	0	0	113.7	P1021	P1021-L1032 HydrophobicContact CB-CD1 3.95Å; P1021-L1032 HydrophobicContact CB-CG 4.47Å; P1021-L1032 HydrophobicContact CG-CD1 3.92Å; P1021-L1032 HydrophobicContact CG-CG 3.89Å
1033	T	40.4	Very low	56.4	Low	74 Å²	74	89.5 Å²	89.5	45%	0.454	46%	0.463	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74	-34	177.8	40.9	0	0	0	0	113.1	S1036 S1037	T1033-S1036 PolarHBondContact O-N 3.1Å; T1033-S1036 PolarHBondContact O-OG 2.91Å; T1033-S1037 PolarHBondContact O-N 3.38Å
1034	D	47.2	Very low	58.6	Low	94 Å²	94	84.3 Å²	84.3	50%	0.503	44%	0.442	S	S	.	.	H	α-helix	trans	-81.6	-29.8	-159.1	-60.9	1.3	0	0	0	112	S1037 N1038	D1034-S1037 VanDerWaalsContact O-CB 3.26Å; D1034-S1037 WeakPolarHBondContact O-CB 3.01Å; D1034-S1037 PolarHBondContact O-N 2.75Å; D1034-S1037 VanDerWaalsContact O-N 3.14Å; D1034-S1037 PolarHBondContact O-OG 3.13Å; D1034-N1038 PolarHBondContact O-N 3.28Å
1035	L	47.5	Very low	61.2	Low	46 Å²	46	75.9 Å²	75.9	24%	0.241	40%	0.402	C	S	.	.	H	α-helix	trans	-74.5	-27.7	178.3	-135.3	68.1	0	0	0	112.9	M1019	M1019-L1035 HydrophobicContact CB-CD2 4.25Å; M1019-L1035 WeakPolarHBondContact O-CD2 3.48Å; M1019-L1035 VanDerWaalsContact O-CG 3.27Å; M1019-L1035 WeakPolarHBondContact O-CG 3.46Å
1036	S	59.4	Low	64.1	Low	45 Å²	45	70.7 Å²	70.7	32%	0.315	37%	0.37	S	S	.	.	H	α-helix	trans	-75.7	-29.3	166.9	69.5	0	0	0	0	111.6	T1033 N1038 L1039 I1040	T1033-S1036 PolarHBondContact O-N 3.1Å; T1033-S1036 PolarHBondContact O-OG 2.91Å; S1036-N1038 VanDerWaalsContact C-N 3.33Å; S1036-N1038 PolarHBondContact O-N 3.38Å; S1036-L1039 PolarHBondContact O-N 3.49Å; S1036-I1040 WeakPolarHBondContact O-CG1 3.45Å; S1036-I1040 PolarHBondContact O-N 2.63Å; S1036-I1040 VanDerWaalsContact O-N 3.11Å
1037	S	78.4	Confident	66.9	Low	38 Å²	38	60.7 Å²	60.7	27%	0.266	33%	0.327	S	S	.	.	H	α-helix	trans	-58.7	-39	178.3	90.9	0	0	0	0	113	T1033 D1034 L1039 I1040 K1041	T1033-S1037 PolarHBondContact O-N 3.38Å; D1034-S1037 VanDerWaalsContact O-CB 3.26Å; D1034-S1037 WeakPolarHBondContact O-CB 3.01Å; D1034-S1037 PolarHBondContact O-N 2.75Å; D1034-S1037 VanDerWaalsContact O-N 3.14Å; D1034-S1037 PolarHBondContact O-OG 3.13Å; S1037-L1039 PolarHBondContact O-N 2.71Å; S1037-I1040 CarbonylContact O-C 3.47Å; S1037-I1040 WeakPolarHBondContact O-CA 3.34Å; S1037-I1040 WeakPolarHBondContact O-CB 3.5Å; S1037-I1040 PolarHBondContact O-N 3.44Å; S1037-I1040 VanDerWaalsContact O-N 3.07Å; S1037-K1041 WeakPolarHBondContact O-CG 3.39Å; S1037-K1041 PolarHBondContact O-N 3.38Å
1038	N	87.4	Confident	70	Confident	19 Å²	19	56.2 Å²	56.2	10%	0.102	30%	0.295	C	S	.	.	H	α-helix	trans	-67.2	-32.7	-179.4	-76.6	-20	0	0	0	113.6	F1017 F1018 D1034 S1036 K1041 L1042	F1017-N1038 HydrophobicContact CD1-CB 3.98Å; F1017-N1038 HydrophobicContact CE1-CB 3.72Å; F1017-N1038 VanDerWaalsContact CE1-CG 3.5Å; F1017-N1038 HydrophobicContact CZ-CB 4.29Å; F1017-N1038 VanDerWaalsContact O-CB 3.32Å; F1017-N1038 WeakPolarHBondContact O-CB 3.37Å; F1017-N1038 PolarHBondContact O-ND2 3.17Å; F1017-N1038 VanDerWaalsContact O-ND2 3.08Å; F1018-N1038 HydrophobicContact CD1-CB 4.49Å; D1034-N1038 PolarHBondContact O-N 3.28Å; S1036-N1038 VanDerWaalsContact C-N 3.33Å; S1036-N1038 PolarHBondContact O-N 3.38Å; N1038-K1041 PolarHBondContact O-N 2.96Å; N1038-K1041 PolarHBondContact OD1-NZ 3.18Å; N1038-L1042 PolarHBondContact O-N 3.41Å
1039	L	87.9	Confident	73.2	Confident	12 Å²	12	52 Å²	52	6%	0.063	27%	0.266	C	S	.	.	H	α-helix	trans	-73.3	-31.9	171.3	-71.7	170.6	0	0	0	111.5	V1008 F1018 S1036 S1037 L1042 R1043	V1008-L1039 HydrophobicContact CG1-CB 4.38Å; V1008-L1039 HydrophobicContact CG1-CD2 4.21Å; V1008-L1039 WeakPolarHBondContact CG1-O 3.39Å; F1018-L1039 HydrophobicContact CB-CD2 4.23Å; F1018-L1039 HydrophobicContact CD1-CD2 3.75Å; F1018-L1039 HydrophobicContact CD1-CG 4.28Å; F1018-L1039 HydrophobicContact CG-CD2 4.34Å; S1036-L1039 PolarHBondContact O-N 3.49Å; S1037-L1039 PolarHBondContact O-N 2.71Å; L1039-L1042 PolarHBondContact O-N 3.09Å; L1039-R1043 WeakPolarHBondContact O-CB 3.42Å; L1039-R1043 PolarHBondContact O-N 3.47Å
1040	I	88.7	Confident	76.1	Confident	58 Å²	58	41.9 Å²	41.9	30%	0.297	22%	0.221	S	C	.	.	H	α-helix	trans	-66.3	-42.6	170.8	-66.4	165.5	0	0	0	110.5	S1036 S1037 L1042 R1043 N1044	S1036-I1040 WeakPolarHBondContact O-CG1 3.45Å; S1036-I1040 PolarHBondContact O-N 2.63Å; S1036-I1040 VanDerWaalsContact O-N 3.11Å; S1037-I1040 CarbonylContact O-C 3.47Å; S1037-I1040 WeakPolarHBondContact O-CA 3.34Å; S1037-I1040 WeakPolarHBondContact O-CB 3.5Å; S1037-I1040 PolarHBondContact O-N 3.44Å; S1037-I1040 VanDerWaalsContact O-N 3.07Å; I1040-L1042 PolarHBondContact O-N 2.77Å; I1040-R1043 WeakPolarHBondContact O-CB 2.98Å; I1040-R1043 PolarHBondContact O-N 2.91Å; I1040-N1044 WeakPolarHBondContact O-CB 3.25Å; I1040-N1044 PolarHBondContact O-N 2.99Å; I1040-N1044 PolarHBondContact O-ND2 3.2Å; I1040-N1044 PolarHBondContact O-OD1 2.9Å
1041	K	93.4	Very high	78.5	Confident	47 Å²	47	35.7 Å²	35.7	20%	0.204	19%	0.192	C	C	.	.	H	α-helix	trans	-56.4	-49.6	171.9	-67	-179.6	-174.7	178.5	0	111.6	S1037 N1038 R1043 N1044 I1045 L1070 Q1074 E1076	S1037-K1041 WeakPolarHBondContact O-CG 3.39Å; S1037-K1041 PolarHBondContact O-N 3.38Å; N1038-K1041 PolarHBondContact O-N 2.96Å; N1038-K1041 PolarHBondContact OD1-NZ 3.18Å; K1041-R1043 VanDerWaalsContact C-N 3.32Å; K1041-R1043 PolarHBondContact O-N 3.06Å; K1041-N1044 PolarHBondContact O-N 3Å; K1041-I1045 WeakPolarHBondContact O-CD1 3.4Å; K1041-I1045 VanDerWaalsContact O-CG1 3.3Å; K1041-I1045 WeakPolarHBondContact O-CG1 3.45Å; K1041-I1045 PolarHBondContact O-N 3.28Å; K1041-L1070 HydrophobicContact CB-CD1 4.13Å; K1041-L1070 HydrophobicContact CB-CD2 3.98Å; K1041-L1070 HydrophobicContact CD-CD1 4.18Å; K1041-Q1074 PolarHBondContact NZ-O 2.66Å; K1041-E1076 WeakPolarHBondContact CA-OE1 3.4Å; K1041-E1076 HydrophobicContact CB-CG 4.06Å; K1041-E1076 HydrophobicContact CD-CG 4.34Å; K1041-E1076 HydrophobicContact CG-CG 3.8Å
1042	L	93.2	Very high	81.3	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-58.5	-44.9	178.2	-165.3	77.2	0	0	0	111.2	V1008 C1011 F1018 N1038 L1039 I1040 I1046 L1066 A1067 L1070	V1008-L1042 HydrophobicContact CG1-CD2 4.29Å; V1008-L1042 HydrophobicContact CG2-CD2 4.21Å; V1008-L1042 HydrophobicContact CG2-CG 4.41Å; C1011-L1042 HydrophobicContact CB-CD2 3.75Å; F1018-L1042 HydrophobicContact CE1-CB 4.37Å; F1018-L1042 HydrophobicContact CE1-CD1 4.35Å; F1018-L1042 HydrophobicContact CE1-CD2 4.22Å; F1018-L1042 HydrophobicContact CZ-CD1 4.23Å; N1038-L1042 PolarHBondContact O-N 3.41Å; L1039-L1042 PolarHBondContact O-N 3.09Å; I1040-L1042 PolarHBondContact O-N 2.77Å; L1042-I1046 HydrophobicContact CG-CD1 4.35Å; L1042-I1046 VanDerWaalsContact O-CG1 3.29Å; L1042-I1046 WeakPolarHBondContact O-CG1 3.44Å; L1042-I1046 PolarHBondContact O-N 3.44Å; L1042-L1066 HydrophobicContact CD1-CB 4.23Å; L1042-L1066 HydrophobicContact CD1-CD2 3.57Å; L1042-L1066 HydrophobicContact CD1-CG 3.71Å; L1042-L1066 HydrophobicContact CG-CD2 4.21Å; L1042-A1067 HydrophobicContact CD1-CB 4.37Å; L1042-L1070 HydrophobicContact CB-CD2 3.8Å; L1042-L1070 HydrophobicContact CD1-CD2 3.73Å; L1042-L1070 HydrophobicContact CG-CD2 4.4Å
1043	R	93.9	Very high	84.2	Confident	33 Å²	33	30.7 Å²	30.7	13%	0.125	16%	0.163	C	C	.	.	H	α-helix	trans	-59.9	-48.2	173.9	-175.4	-170.3	-171.1	-81	-13.9	112.1	D1005 V1008 L1039 I1040 K1041 S1047	D1005-R1043 WeakPolarHBondContact OD1-CD 3.1Å; D1005-R1043 IonicContact OD1-CZ 3.71Å; D1005-R1043 IonicContact OD1-NE 3.3Å; D1005-R1043 PolarHBondContact OD1-NE 3.29Å; D1005-R1043 IonicContact OD1-NH2 2.94Å; D1005-R1043 PolarHBondContact OD1-NH2 3.43Å; D1005-R1043 IonicContact OD2-CZ 2.83Å; D1005-R1043 IonicContact OD2-NE 3.99Å; D1005-R1043 IonicContact OD2-NH2 3.75Å; D1005-R1043 PolarHBondContact OD2-NH2 3.03Å; V1008-R1043 HydrophobicContact CG1-CB 4.26Å; V1008-R1043 HydrophobicContact CG2-CB 4.46Å; L1039-R1043 WeakPolarHBondContact O-CB 3.42Å; L1039-R1043 PolarHBondContact O-N 3.47Å; I1040-R1043 WeakPolarHBondContact O-CB 2.98Å; I1040-R1043 PolarHBondContact O-N 2.91Å; K1041-R1043 VanDerWaalsContact C-N 3.32Å; K1041-R1043 PolarHBondContact O-N 3.06Å; R1043-S1047 VanDerWaalsContact O-CB 3.24Å; R1043-S1047 WeakPolarHBondContact O-CB 3.48Å; R1043-S1047 PolarHBondContact O-N 3.3Å; R1043-S1047 PolarHBondContact O-OG 3.18Å
1044	N	95	Very high	86.5	Confident	21 Å²	21	28.7 Å²	28.7	11%	0.112	15%	0.15	C	C	.	.	H	α-helix	trans	-60.8	-49.6	-176.4	-71.3	-15.4	0	0	0	110.7	Y872 L876 I1040 K1041 I1046 S1047 T1048 E1076	Y872-N1044 WeakPolarHBondContact OH-CB 3.36Å; L876-N1044 HydrophobicContact CD1-CB 4.14Å; I1040-N1044 WeakPolarHBondContact O-CB 3.25Å; I1040-N1044 PolarHBondContact O-N 2.99Å; I1040-N1044 PolarHBondContact O-ND2 3.2Å; I1040-N1044 PolarHBondContact O-OD1 2.9Å; K1041-N1044 PolarHBondContact O-N 3Å; N1044-I1046 PolarHBondContact O-N 2.72Å; N1044-S1047 PolarHBondContact O-N 3.1Å; N1044-T1048 WeakPolarHBondContact O-CB 3.35Å; N1044-T1048 PolarHBondContact O-N 2.98Å; N1044-T1048 PolarHBondContact O-OG1 3.19Å; N1044-E1076 PolarHBondContact ND2-OE1 2.87Å
1045	I	96.5	Very high	88.3	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-62.7	-46.4	-177.8	-64.2	157.7	0	0	0	111.7	Y872 K1041 T1048 W1049 L1066 L1070 E1076 T1079 F1080	Y872-I1045 HydrophobicContact CE2-CG1 4.36Å; K1041-I1045 WeakPolarHBondContact O-CD1 3.4Å; K1041-I1045 VanDerWaalsContact O-CG1 3.3Å; K1041-I1045 WeakPolarHBondContact O-CG1 3.45Å; K1041-I1045 PolarHBondContact O-N 3.28Å; I1045-T1048 PolarHBondContact O-N 3.41Å; I1045-W1049 WeakPolarHBondContact O-CB 3.41Å; I1045-W1049 PolarHBondContact O-N 3.12Å; I1045-L1066 HydrophobicContact CB-CD2 3.91Å; I1045-L1066 HydrophobicContact CG2-CD1 3.71Å; I1045-L1066 HydrophobicContact CG2-CD2 3.73Å; I1045-L1066 HydrophobicContact CG2-CG 4.41Å; I1045-L1070 HydrophobicContact CD1-CD1 3.81Å; I1045-L1070 HydrophobicContact CD1-CD2 4.47Å; I1045-E1076 HydrophobicContact CD1-CB 4.48Å; I1045-E1076 HydrophobicContact CG1-CB 4.33Å; I1045-T1079 HydrophobicContact CD1-CG2 3.84Å; I1045-F1080 HydrophobicContact CG1-CB 4.49Å; I1045-F1080 HydrophobicContact CG2-CB 3.91Å
1046	I	95.1	Very high	90.3	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-64.9	-43.1	177.5	-57.3	170.5	0	0	0	110.4	I1004 V1008 L1042 N1044 T1048 W1049 V1050 Y1058 C1063 L1066	I1004-I1046 HydrophobicContact CB-CG2 4.48Å; I1004-I1046 HydrophobicContact CD1-CG2 3.79Å; I1004-I1046 HydrophobicContact CG1-CG2 3.7Å; I1004-I1046 HydrophobicContact CG2-CB 4.04Å; I1004-I1046 HydrophobicContact CG2-CG2 3.98Å; V1008-I1046 HydrophobicContact CG2-CD1 3.99Å; L1042-I1046 HydrophobicContact CG-CD1 4.35Å; L1042-I1046 VanDerWaalsContact O-CG1 3.29Å; L1042-I1046 WeakPolarHBondContact O-CG1 3.44Å; L1042-I1046 PolarHBondContact O-N 3.44Å; N1044-I1046 PolarHBondContact O-N 2.72Å; I1046-T1048 PolarHBondContact O-N 3.33Å; I1046-W1049 PolarHBondContact O-N 2.97Å; I1046-V1050 HydrophobicContact CG2-CG2 4.2Å; I1046-V1050 WeakPolarHBondContact O-CB 3.5Å; I1046-V1050 VanDerWaalsContact O-CG2 3.31Å; I1046-V1050 WeakPolarHBondContact O-CG2 3.31Å; I1046-V1050 PolarHBondContact O-N 3.48Å; I1046-Y1058 HydrophobicContact CD1-CE2 4.47Å; I1046-Y1058 HydrophobicContact CG2-CD2 3.49Å; I1046-Y1058 VanDerWaalsContact CG2-CD2 3.49Å; I1046-Y1058 HydrophobicContact CG2-CE2 3.63Å; I1046-C1063 HydrophobicContact CD1-CB 3.91Å; I1046-L1066 HydrophobicContact CD1-CD2 3.99Å; I1046-L1066 HydrophobicContact CG1-CD2 3.37Å
1047	S	94.8	Very high	91.7	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-64	-41.1	179.9	-56	0	0	0	0	111.8	W879 L1001 R1043 N1044 W1051	W879-S1047 VanDerWaalsContact CZ2-CB 3.45Å; L1001-S1047 WeakPolarHBondContact CD1-OG 3.47Å; R1043-S1047 VanDerWaalsContact O-CB 3.24Å; R1043-S1047 WeakPolarHBondContact O-CB 3.48Å; R1043-S1047 PolarHBondContact O-N 3.3Å; R1043-S1047 PolarHBondContact O-OG 3.18Å; N1044-S1047 PolarHBondContact O-N 3.1Å; S1047-W1051 VanDerWaalsContact O-CB 3.29Å; S1047-W1051 WeakPolarHBondContact O-CB 3.38Å; S1047-W1051 PolarHBondContact O-N 3.47Å
1048	T	96.5	Very high	92.4	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-65.8	-42.5	174.8	-61.7	0	0	0	0	111.9	Y872 A875 W879 N1044 I1045 I1046 W1051 L1052 F1080	Y872-T1048 HydrophobicContact CD2-CG2 3.59Å; Y872-T1048 HydrophobicContact CE2-CG2 3.83Å; A875-T1048 HydrophobicContact CB-CG2 3.66Å; W879-T1048 PolarHBondContact NE1-OG1 3.16Å; N1044-T1048 WeakPolarHBondContact O-CB 3.35Å; N1044-T1048 PolarHBondContact O-N 2.98Å; N1044-T1048 PolarHBondContact O-OG1 3.19Å; I1045-T1048 PolarHBondContact O-N 3.41Å; I1046-T1048 PolarHBondContact O-N 3.33Å; T1048-W1051 PolarHBondContact O-N 2.81Å; T1048-L1052 HydrophobicContact CG2-CD1 4.41Å; T1048-L1052 WeakPolarHBondContact O-CG 3.35Å; T1048-L1052 PolarHBondContact O-N 3.25Å; T1048-F1080 HydrophobicContact CG2-CD2 4.25Å; T1048-F1080 HydrophobicContact CG2-CE2 4.01Å; T1048-F1080 HydrophobicContact CG2-CZ 4.5Å
1049	W	96.4	Very high	92.4	Very high	1 Å²	1	26.6 Å²	26.6	0%	0.004	13%	0.132	C	C	.	.	H	α-helix	trans	-64	-44.1	176.4	-169.2	90.7	0	0	0	112	I1045 I1046 L1052 H1053 I1056 M1062 F1080 F1083 N1084 M1087 L1091	I1045-W1049 WeakPolarHBondContact O-CB 3.41Å; I1045-W1049 PolarHBondContact O-N 3.12Å; I1046-W1049 PolarHBondContact O-N 2.97Å; W1049-L1052 PolarHBondContact O-N 3.07Å; W1049-H1053 AromaticContact CD1-CE1 3.96Å; W1049-H1053 AromaticContact CD1-ND1 4Å; W1049-H1053 AromaticContact CD2-ND1 3.57Å; W1049-H1053 AromaticContact CE2-CE1 3.54Å; W1049-H1053 AromaticContact CE2-CG 3.93Å; W1049-H1053 AromaticContact CE2-ND1 3.31Å; W1049-H1053 VanDerWaalsContact CE2-ND1 3.31Å; W1049-H1053 HydrophobicContact CE3-CB 4.19Å; W1049-H1053 AromaticContact CG-ND1 3.99Å; W1049-H1053 HydrophobicContact CH2-CB 3.7Å; W1049-H1053 AromaticContact CH2-CG 3.75Å; W1049-H1053 AromaticContact CH2-ND1 3.98Å; W1049-H1053 HydrophobicContact CZ2-CB 4.16Å; W1049-H1053 AromaticContact CZ2-CD2 3.99Å; W1049-H1053 AromaticContact CZ2-CE1 3.8Å; W1049-H1053 AromaticContact CZ2-CG 3.67Å; W1049-H1053 AromaticContact CZ2-ND1 3.55Å; W1049-H1053 HydrophobicContact CZ3-CB 3.73Å; W1049-H1053 AromaticContact NE1-CE1 3.4Å; W1049-H1053 PolarHBondContact NE1-CE1 2.93Å; W1049-H1053 AromaticContact NE1-ND1 3.6Å; W1049-H1053 PolarHBondContact O-N 3.35Å; W1049-H1053 VanDerWaalsContact O-N 3.13Å; W1049-H1053 PolarHBondContact O-ND1 3.44Å; W1049-I1056 HydrophobicContact CH2-CB 4.43Å; W1049-I1056 HydrophobicContact CH2-CD1 4.07Å; W1049-I1056 HydrophobicContact CH2-CG2 4.05Å; W1049-I1056 HydrophobicContact CZ3-CG2 4.19Å; W1049-M1062 HydrophobicContact CD2-CE 4.23Å; W1049-M1062 HydrophobicContact CE3-CE 3.44Å; W1049-M1062 VanDerWaalsContact CE3-CE 3.44Å; W1049-M1062 HydrophobicContact CH2-CE 4.36Å; W1049-M1062 HydrophobicContact CZ3-CE 3.52Å; W1049-F1080 HydrophobicContact CB-CD2 4.35Å; W1049-F1080 HydrophobicContact CB-CE2 4.15Å; W1049-F1083 HydrophobicContact CB-CD1 4.31Å; W1049-F1083 HydrophobicContact CB-CE1 4.15Å; W1049-F1083 AromaticContact CD1-CD1 3.88Å; W1049-F1083 HydrophobicContact CD2-CE1 4.08Å; W1049-F1083 AromaticContact CG-CD1 3.99Å; W1049-F1083 HydrophobicContact CG-CD1 3.99Å; W1049-F1083 AromaticContact CG-CE1 3.79Å; W1049-F1083 HydrophobicContact CG-CE1 3.79Å; W1049-N1084 PolarHBondContact NE1-OD1 3.45Å; W1049-M1087 HydrophobicContact CH2-CE 4.4Å; W1049-M1087 HydrophobicContact CZ2-CB 3.78Å; W1049-M1087 HydrophobicContact CZ2-CG 4.13Å; W1049-L1091 HydrophobicContact CH2-CD1 4.28Å; W1049-L1091 HydrophobicContact CH2-CD2 4.1Å; W1049-L1091 HydrophobicContact CZ2-CD1 4.22Å
1050	V	94.7	Very high	92.2	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-71.8	-29.8	179.6	172.3	0	0	0	0	112.4	N1000 I1004 I1046 L1052 H1053 L1054 Y1058 M1062	N1000-V1050 HydrophobicContact CB-CG1 3.85Å; I1004-V1050 HydrophobicContact CD1-CB 4.2Å; I1004-V1050 HydrophobicContact CD1-CG1 4.44Å; I1004-V1050 HydrophobicContact CD1-CG2 4.14Å; I1046-V1050 HydrophobicContact CG2-CG2 4.2Å; I1046-V1050 WeakPolarHBondContact O-CB 3.5Å; I1046-V1050 VanDerWaalsContact O-CG2 3.31Å; I1046-V1050 WeakPolarHBondContact O-CG2 3.31Å; I1046-V1050 PolarHBondContact O-N 3.48Å; V1050-L1052 VanDerWaalsContact C-N 3.29Å; V1050-L1052 PolarHBondContact O-N 3.28Å; V1050-H1053 CarbonylContact O-C 3.59Å; V1050-H1053 VanDerWaalsContact O-C 3.3Å; V1050-H1053 PolarHBondContact O-N 2.92Å; V1050-L1054 WeakPolarHBondContact O-CD2 3.48Å; V1050-L1054 WeakPolarHBondContact O-CG 3.41Å; V1050-L1054 PolarHBondContact O-N 2.72Å; V1050-Y1058 HydrophobicContact CG2-CD2 4.39Å; V1050-M1062 HydrophobicContact CG2-CE 4.38Å
1051	W	94.6	Very high	92.1	Very high	33 Å²	33	25.1 Å²	25.1	13%	0.125	12%	0.124	C	C	.	.	H	α-helix	trans	-63.1	-35.7	170.8	178.6	-100	0	0	0	112.5	T878 W879 V882 F989 T993 F997 S1047 T1048 L1054	T878-W1051 HydrophobicContact CG2-CZ2 3.69Å; W879-W1051 HydrophobicContact CB-CB 4.13Å; W879-W1051 HydrophobicContact CB-CD2 3.61Å; W879-W1051 HydrophobicContact CB-CE3 3.73Å; W879-W1051 HydrophobicContact CB-CG 3.77Å; W879-W1051 HydrophobicContact CB-CZ3 4.46Å; W879-W1051 HydrophobicContact CG-CB 4.3Å; W879-W1051 HydrophobicContact CG-CG 4.35Å; V882-W1051 HydrophobicContact CB-CZ3 4.46Å; V882-W1051 HydrophobicContact CG1-CZ3 4.31Å; V882-W1051 HydrophobicContact CG2-CH2 3.76Å; V882-W1051 HydrophobicContact CG2-CZ3 4.12Å; F989-W1051 AromaticContact CD1-CH2 3.9Å; F989-W1051 HydrophobicContact CD1-CH2 3.9Å; F989-W1051 HydrophobicContact CD1-CZ2 4.11Å; F989-W1051 HydrophobicContact CE1-CH2 4.06Å; F989-W1051 AromaticContact CE1-CZ2 3.85Å; F989-W1051 HydrophobicContact CE1-CZ2 3.85Å; F989-W1051 HydrophobicContact CG-CH2 4.42Å; T993-W1051 HydrophobicContact CG2-CH2 4.35Å; T993-W1051 HydrophobicContact CG2-CZ3 4.5Å; F997-W1051 HydrophobicContact CB-CE3 4.35Å; F997-W1051 HydrophobicContact CB-CZ3 4.22Å; F997-W1051 AromaticContact CD1-CE3 3.95Å; F997-W1051 HydrophobicContact CD1-CE3 3.95Å; F997-W1051 HydrophobicContact CD1-CZ3 4.03Å; F997-W1051 AromaticContact CD2-CE3 3.77Å; F997-W1051 HydrophobicContact CD2-CE3 3.77Å; F997-W1051 HydrophobicContact CD2-CZ3 4.45Å; F997-W1051 HydrophobicContact CE1-CE3 4.15Å; F997-W1051 HydrophobicContact CE2-CB 4.09Å; F997-W1051 AromaticContact CE2-CE3 3.98Å; F997-W1051 HydrophobicContact CE2-CE3 3.98Å; F997-W1051 AromaticContact CG-CE3 3.75Å; F997-W1051 HydrophobicContact CG-CE3 3.75Å; F997-W1051 AromaticContact CG-CZ3 3.98Å; F997-W1051 HydrophobicContact CG-CZ3 3.98Å; F997-W1051 HydrophobicContact CZ-CE3 4.17Å; S1047-W1051 VanDerWaalsContact O-CB 3.29Å; S1047-W1051 WeakPolarHBondContact O-CB 3.38Å; S1047-W1051 PolarHBondContact O-N 3.47Å; T1048-W1051 PolarHBondContact O-N 2.81Å; W1051-L1054 HydrophobicContact CE3-CD1 4.4Å; W1051-L1054 HydrophobicContact CZ3-CD1 4.49Å
1052	L	93.6	Very high	92	Very high	78 Å²	78	22.9 Å²	22.9	41%	0.408	11%	0.114	S	C	.	.	H	α-helix	trans	-79.8	-20.1	176.8	-67.7	168.6	0	0	0	113.3	I871 A875 T1048 W1049 V1050 F1080	I871-L1052 HydrophobicContact CG2-CD1 4.22Å; A875-L1052 HydrophobicContact CB-CD1 4.11Å; A875-L1052 HydrophobicContact CB-CD2 4.05Å; A875-L1052 HydrophobicContact CB-CG 4.08Å; T1048-L1052 HydrophobicContact CG2-CD1 4.41Å; T1048-L1052 WeakPolarHBondContact O-CG 3.35Å; T1048-L1052 PolarHBondContact O-N 3.25Å; W1049-L1052 PolarHBondContact O-N 3.07Å; V1050-L1052 VanDerWaalsContact C-N 3.29Å; V1050-L1052 PolarHBondContact O-N 3.28Å; L1052-F1080 HydrophobicContact CD1-CE2 4.01Å; L1052-F1080 HydrophobicContact CD1-CZ 3.6Å
1053	H	93	Very high	92	Very high	45 Å²	45	23 Å²	23	21%	0.208	12%	0.115	C	C	.	.			trans	-129.7	53.4	-176.2	-54.7	90.7	0	0	0	111.3	W1049 V1050 D1055 I1056 G1057 N1084	W1049-H1053 AromaticContact CD1-CE1 3.96Å; W1049-H1053 AromaticContact CD1-ND1 4Å; W1049-H1053 AromaticContact CD2-ND1 3.57Å; W1049-H1053 AromaticContact CE2-CE1 3.54Å; W1049-H1053 AromaticContact CE2-CG 3.93Å; W1049-H1053 AromaticContact CE2-ND1 3.31Å; W1049-H1053 VanDerWaalsContact CE2-ND1 3.31Å; W1049-H1053 HydrophobicContact CE3-CB 4.19Å; W1049-H1053 AromaticContact CG-ND1 3.99Å; W1049-H1053 HydrophobicContact CH2-CB 3.7Å; W1049-H1053 AromaticContact CH2-CG 3.75Å; W1049-H1053 AromaticContact CH2-ND1 3.98Å; W1049-H1053 HydrophobicContact CZ2-CB 4.16Å; W1049-H1053 AromaticContact CZ2-CD2 3.99Å; W1049-H1053 AromaticContact CZ2-CE1 3.8Å; W1049-H1053 AromaticContact CZ2-CG 3.67Å; W1049-H1053 AromaticContact CZ2-ND1 3.55Å; W1049-H1053 HydrophobicContact CZ3-CB 3.73Å; W1049-H1053 AromaticContact NE1-CE1 3.4Å; W1049-H1053 PolarHBondContact NE1-CE1 2.93Å; W1049-H1053 AromaticContact NE1-ND1 3.6Å; W1049-H1053 PolarHBondContact O-N 3.35Å; W1049-H1053 VanDerWaalsContact O-N 3.13Å; W1049-H1053 PolarHBondContact O-ND1 3.44Å; V1050-H1053 CarbonylContact O-C 3.59Å; V1050-H1053 VanDerWaalsContact O-C 3.3Å; V1050-H1053 PolarHBondContact O-N 2.92Å; H1053-D1055 VanDerWaalsContact C-OD1 3.32Å; H1053-D1055 PolarHBondContact O-N 3.02Å; H1053-I1056 HydrophobicContact CB-CB 4.38Å; H1053-I1056 HydrophobicContact CB-CD1 4.28Å; H1053-I1056 PolarHBondContact O-N 3.33Å; H1053-G1057 PolarHBondContact O-N 2.94Å; H1053-N1084 PolarHBondContact CE1-OD1 3.25Å
1054	L	89.9	Confident	91.9	Very high	32 Å²	32	21.8 Å²	21.8	17%	0.168	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-23.5	-176.2	-76.8	171.3	0	0	0	113.8	T993 L996 F997 V1050 W1051	T993-L1054 HydrophobicContact CG2-CD1 3.75Å; L996-L1054 HydrophobicContact CD2-CB 4.36Å; L996-L1054 WeakPolarHBondContact CD2-O 3.32Å; F997-L1054 HydrophobicContact CB-CD2 3.99Å; F997-L1054 HydrophobicContact CD2-CD2 3.9Å; F997-L1054 HydrophobicContact CG-CD2 4.4Å; V1050-L1054 WeakPolarHBondContact O-CD2 3.48Å; V1050-L1054 WeakPolarHBondContact O-CG 3.41Å; V1050-L1054 PolarHBondContact O-N 2.72Å; W1051-L1054 HydrophobicContact CE3-CD1 4.4Å; W1051-L1054 HydrophobicContact CZ3-CD1 4.49Å
1055	D	84.7	Confident	91.9	Very high	134 Å²	134	20.9 Å²	20.9	72%	0.717	11%	0.106	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-35.4	174.2	67.3	-49	0	0	0	112.6	H1053	H1053-D1055 VanDerWaalsContact C-OD1 3.32Å; H1053-D1055 PolarHBondContact O-N 3.02Å
1056	I	88.6	Confident	91.8	Very high	40 Å²	40	20.9 Å²	20.9	21%	0.205	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-43	173.5	-65.8	167.2	0	0	0	110.3	W1049 H1053 I1059 L1091 L1096	W1049-I1056 HydrophobicContact CH2-CB 4.43Å; W1049-I1056 HydrophobicContact CH2-CD1 4.07Å; W1049-I1056 HydrophobicContact CH2-CG2 4.05Å; W1049-I1056 HydrophobicContact CZ3-CG2 4.19Å; H1053-I1056 HydrophobicContact CB-CB 4.38Å; H1053-I1056 HydrophobicContact CB-CD1 4.28Å; H1053-I1056 PolarHBondContact O-N 3.33Å; I1056-I1059 HydrophobicContact CG2-CD1 4.03Å; I1056-L1091 HydrophobicContact CD1-CD1 3.71Å; I1056-L1091 HydrophobicContact CD1-CD2 3.95Å; I1056-L1091 HydrophobicContact CD1-CG 4.48Å; I1056-L1091 HydrophobicContact CG2-CD2 3.66Å; I1056-L1096 HydrophobicContact CG2-CD2 3.91Å
1057	G	90.1	Very high	91.8	Very high	3 Å²	3	20.9 Å²	20.9	3%	0.031	11%	0.106	C	C	.	.			trans	69.7	-166.5	-175.3	0	0	0	0	0	113.6	H1053	H1053-G1057 PolarHBondContact O-N 2.94Å
1058	Y	91.8	Very high	91.7	Very high	4 Å²	4	20.9 Å²	20.9	2%	0.016	11%	0.106	C	C	.	.			trans	-81.7	141.7	171.2	-178.6	-111.2	0	0	0	110.8	N1000 R1003 I1004 D1007 I1046 V1050 M1062	N1000-Y1058 PolarHBondContact OD1-N 3.04Å; R1003-Y1058 HydrophobicContact CB-CD1 3.84Å; R1003-Y1058 HydrophobicContact CB-CE1 4.45Å; R1003-Y1058 PolarHBondContact NH1-O 3.4Å; R1003-Y1058 PolarHBondContact NH2-O 3.23Å; I1004-Y1058 HydrophobicContact CD1-CD2 4.42Å; I1004-Y1058 HydrophobicContact CD1-CG 4.45Å; I1004-Y1058 HydrophobicContact CG1-CD1 4.13Å; I1004-Y1058 HydrophobicContact CG1-CD2 3.61Å; I1004-Y1058 HydrophobicContact CG1-CE2 4.19Å; I1004-Y1058 HydrophobicContact CG1-CG 3.58Å; D1007-Y1058 HydrophobicContact CB-CE1 4.2Å; D1007-Y1058 VanDerWaalsContact CB-OH 3.26Å; D1007-Y1058 WeakPolarHBondContact CB-OH 3.49Å; D1007-Y1058 VanDerWaalsContact OD2-CE1 3.31Å; D1007-Y1058 WeakPolarHBondContact OD2-CE1 3.3Å; D1007-Y1058 PolarHBondContact OD2-OH 3.02Å; I1046-Y1058 HydrophobicContact CD1-CE2 4.47Å; I1046-Y1058 HydrophobicContact CG2-CD2 3.49Å; I1046-Y1058 VanDerWaalsContact CG2-CD2 3.49Å; I1046-Y1058 HydrophobicContact CG2-CE2 3.63Å; V1050-Y1058 HydrophobicContact CG2-CD2 4.39Å; Y1058-M1062 HydrophobicContact CD2-CB 4.29Å; Y1058-M1062 HydrophobicContact CD2-SD 4.25Å; Y1058-M1062 HydrophobicContact CE2-CB 3.75Å
1059	I	88.8	Confident	91.6	Very high	17 Å²	17	20.9 Å²	20.9	9%	0.087	11%	0.106	C	C	.	.			trans	-127.8	132.5	174.8	-44.4	-178.8	0	0	0	109.4	I1056 G1061 M1062 F1094 L1096 M1144	I1056-I1059 HydrophobicContact CG2-CD1 4.03Å; I1059-G1061 PolarHBondContact O-N 3.42Å; I1059-M1062 HydrophobicContact CB-CG 4.38Å; I1059-M1062 HydrophobicContact CB-SD 3.83Å; I1059-M1062 HydrophobicContact CG1-SD 4.06Å; I1059-M1062 PolarHBondContact N-SD 3.23Å; I1059-M1062 WeakPolarHBondContact O-CB 3.36Å; I1059-M1062 VanDerWaalsContact O-CG 3.32Å; I1059-M1062 WeakPolarHBondContact O-CG 3.43Å; I1059-M1062 PolarHBondContact O-N 2.83Å; I1059-F1094 HydrophobicContact CB-CD1 4Å; I1059-F1094 HydrophobicContact CB-CE1 4.41Å; I1059-F1094 HydrophobicContact CB-CG 4.41Å; I1059-F1094 HydrophobicContact CD1-CB 3.61Å; I1059-F1094 HydrophobicContact CD1-CD1 4.42Å; I1059-F1094 HydrophobicContact CD1-CG 4Å; I1059-F1094 HydrophobicContact CG2-CB 4.21Å; I1059-F1094 HydrophobicContact CG2-CD1 3.45Å; I1059-F1094 VanDerWaalsContact CG2-CD1 3.45Å; I1059-F1094 HydrophobicContact CG2-CE1 4.12Å; I1059-F1094 HydrophobicContact CG2-CG 4.08Å; I1059-L1096 HydrophobicContact CD1-CD2 3.71Å; I1059-M1144 HydrophobicContact CG2-CE 4.34Å
1060	Q	83.4	Confident	91.5	Very high	38 Å²	38	20.8 Å²	20.8	18%	0.178	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	127.8	-176.7	-179.7	173.3	-2.4	0	0	110.2	T1140 M1144	Q1060-T1140 VanDerWaalsContact NE2-CB 3.33Å; Q1060-T1140 PolarHBondContact NE2-OG1 2.88Å; Q1060-M1144 HydrophobicContact CB-SD 4.32Å
1061	G	86	Confident	91.3	Very high	2 Å²	2	21.8 Å²	21.8	2%	0.021	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	107.7	-18.2	-172.6	0	0	0	0	0	114.1	I1059 C1063 D1064 L1065	I1059-G1061 PolarHBondContact O-N 3.42Å; G1061-C1063 VanDerWaalsContact C-N 3.25Å; G1061-C1063 PolarHBondContact O-N 2.89Å; G1061-D1064 WeakPolarHBondContact O-CB 3.14Å; G1061-D1064 PolarHBondContact O-N 3.3Å; G1061-L1065 PolarHBondContact O-N 2.76Å
1062	M	92.5	Very high	91.1	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-61.1	-32	174.3	-75.5	170.3	65	0	0	113	W1049 V1050 Y1058 I1059 D1064 L1065 L1066 F1083 M1087 F1094	W1049-M1062 HydrophobicContact CD2-CE 4.23Å; W1049-M1062 HydrophobicContact CE3-CE 3.44Å; W1049-M1062 VanDerWaalsContact CE3-CE 3.44Å; W1049-M1062 HydrophobicContact CH2-CE 4.36Å; W1049-M1062 HydrophobicContact CZ3-CE 3.52Å; V1050-M1062 HydrophobicContact CG2-CE 4.38Å; Y1058-M1062 HydrophobicContact CD2-CB 4.29Å; Y1058-M1062 HydrophobicContact CD2-SD 4.25Å; Y1058-M1062 HydrophobicContact CE2-CB 3.75Å; I1059-M1062 HydrophobicContact CB-CG 4.38Å; I1059-M1062 HydrophobicContact CB-SD 3.83Å; I1059-M1062 HydrophobicContact CG1-SD 4.06Å; I1059-M1062 PolarHBondContact N-SD 3.23Å; I1059-M1062 WeakPolarHBondContact O-CB 3.36Å; I1059-M1062 VanDerWaalsContact O-CG 3.32Å; I1059-M1062 WeakPolarHBondContact O-CG 3.43Å; I1059-M1062 PolarHBondContact O-N 2.83Å; M1062-D1064 VanDerWaalsContact C-N 3.28Å; M1062-D1064 PolarHBondContact O-N 3.19Å; M1062-L1065 PolarHBondContact O-N 2.98Å; M1062-L1066 PolarHBondContact O-N 3.43Å; M1062-F1083 HydrophobicContact CB-CZ 4.22Å; M1062-F1083 HydrophobicContact CE-CE1 4.14Å; M1062-F1083 HydrophobicContact CE-CZ 3.92Å; M1062-M1087 HydrophobicContact CE-CE 3.88Å; M1062-M1087 HydrophobicContact CE-SD 4.43Å; M1062-M1087 HydrophobicContact CG-CE 3.86Å; M1062-M1087 HydrophobicContact CG-SD 4.22Å; M1062-M1087 HydrophobicContact SD-CE 3.93Å; M1062-F1094 HydrophobicContact CG-CZ 4.18Å
1063	C	92.7	Very high	90.9	Very high	2 Å²	2	20 Å²	20	1%	0.014	10%	0.103	C	C	.	.	H	α-helix	trans	-62.1	-35	171.5	60.7	0	0	0	0	113	I1046 G1061 L1066 A1067	I1046-C1063 HydrophobicContact CD1-CB 3.91Å; G1061-C1063 VanDerWaalsContact C-N 3.25Å; G1061-C1063 PolarHBondContact O-N 2.89Å; C1063-L1066 PolarHBondContact O-N 2.93Å; C1063-A1067 WeakPolarHBondContact O-CB 3.45Å; C1063-A1067 PolarHBondContact O-N 3.06Å
1064	D	91.7	Very high	90.8	Very high	8 Å²	8	22.8 Å²	22.8	4%	0.043	12%	0.116	C	C	.	.	H	α-helix	trans	-73.3	-35.8	-178.7	-61	-5.3	0	0	0	110.2	G1061 M1062 P1068 R1137 L1310 K1313 R1314	G1061-D1064 WeakPolarHBondContact O-CB 3.14Å; G1061-D1064 PolarHBondContact O-N 3.3Å; M1062-D1064 VanDerWaalsContact C-N 3.28Å; M1062-D1064 PolarHBondContact O-N 3.19Å; D1064-P1068 WeakPolarHBondContact O-CD 3.32Å; D1064-R1137 IonicContact OD1-NH2 3.88Å; D1064-L1310 HydrophobicContact CB-CD1 4.42Å; D1064-K1313 WeakPolarHBondContact O-CG 3.3Å; D1064-R1314 IonicContact OD1-CZ 2.81Å; D1064-R1314 IonicContact OD1-NH2 3.15Å; D1064-R1314 PolarHBondContact OD1-NH2 3.26Å; D1064-R1314 IonicContact OD2-CZ 2.66Å; D1064-R1314 VanDerWaalsContact OD2-CZ 3.22Å; D1064-R1314 IonicContact OD2-NE 2.7Å; D1064-R1314 PolarHBondContact OD2-NE 3.39Å; D1064-R1314 IonicContact OD2-NH2 3.33Å; D1064-R1314 PolarHBondContact OD2-NH2 2.93Å
1065	L	94.2	Very high	90.8	Very high	1 Å²	1	24.3 Å²	24.3	1%	0.005	13%	0.125	C	C	.	.	H	α-helix	trans	-69.8	-35.8	172.9	-68.6	179.9	0	0	0	113.1	G1061 M1062 F1083 L1086 M1087 M1090 F1094 L1310 W1325	G1061-L1065 PolarHBondContact O-N 2.76Å; M1062-L1065 PolarHBondContact O-N 2.98Å; L1065-F1083 HydrophobicContact CB-CE2 4.29Å; L1065-L1086 HydrophobicContact CB-CD2 4.44Å; L1065-M1087 HydrophobicContact CD1-SD 4.41Å; L1065-M1090 HydrophobicContact CD1-CB 4.18Å; L1065-M1090 HydrophobicContact CD1-CE 4.1Å; L1065-M1090 HydrophobicContact CD1-CG 4.23Å; L1065-M1090 HydrophobicContact CD2-CE 3.98Å; L1065-F1094 HydrophobicContact CD1-CE2 4.13Å; L1065-F1094 HydrophobicContact CD1-CZ 3.86Å; L1065-L1310 HydrophobicContact CG-CD2 4.39Å; L1065-W1325 HydrophobicContact CD2-CH2 4.18Å; L1065-W1325 HydrophobicContact CD2-CZ2 4Å; L1065-W1325 WeakPolarHBondContact O-CH2 3.5Å
1066	L	95.5	Very high	91.3	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-74.6	-38.2	179.7	177.9	64.3	0	0	0	113.1	L1042 I1045 I1046 M1062 C1063 I1069 L1070 T1079 F1083	L1042-L1066 HydrophobicContact CD1-CB 4.23Å; L1042-L1066 HydrophobicContact CD1-CD2 3.57Å; L1042-L1066 HydrophobicContact CD1-CG 3.71Å; L1042-L1066 HydrophobicContact CG-CD2 4.21Å; I1045-L1066 HydrophobicContact CB-CD2 3.91Å; I1045-L1066 HydrophobicContact CG2-CD1 3.71Å; I1045-L1066 HydrophobicContact CG2-CD2 3.73Å; I1045-L1066 HydrophobicContact CG2-CG 4.41Å; I1046-L1066 HydrophobicContact CD1-CD2 3.99Å; I1046-L1066 HydrophobicContact CG1-CD2 3.37Å; M1062-L1066 PolarHBondContact O-N 3.43Å; C1063-L1066 PolarHBondContact O-N 2.93Å; L1066-I1069 WeakPolarHBondContact O-CB 3.43Å; L1066-I1069 PolarHBondContact O-N 3.15Å; L1066-L1070 PolarHBondContact O-N 2.87Å; L1066-T1079 HydrophobicContact CD1-CG2 3.67Å; L1066-F1083 HydrophobicContact CB-CD2 3.87Å; L1066-F1083 HydrophobicContact CB-CE2 3.85Å; L1066-F1083 HydrophobicContact CD1-CB 3.75Å; L1066-F1083 HydrophobicContact CD1-CD1 4.46Å; L1066-F1083 HydrophobicContact CD1-CD2 3.79Å; L1066-F1083 HydrophobicContact CD1-CG 3.75Å; L1066-F1083 HydrophobicContact CG-CD2 4.4Å
1067	A	93.8	Very high	91.5	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-55.3	-42.9	-169.2	0	0	0	0	0	114.8	F1018 L1042 C1063 L1070 I1071	F1018-A1067 HydrophobicContact CE2-CB 3.79Å; F1018-A1067 HydrophobicContact CZ-CB 3.99Å; L1042-A1067 HydrophobicContact CD1-CB 4.37Å; C1063-A1067 WeakPolarHBondContact O-CB 3.45Å; C1063-A1067 PolarHBondContact O-N 3.06Å; A1067-L1070 PolarHBondContact O-N 2.88Å; A1067-I1071 WeakPolarHBondContact O-CG1 3.26Å; A1067-I1071 PolarHBondContact O-N 3.11Å; A1067-I1071 VanDerWaalsContact O-N 3.14Å
1068	P	93.4	Very high	91.7	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-60.9	-43.1	173.2	-25.9	36.6	0	0	0	113.4	W845 D1064 L1070 I1071 I1072 K1313 Y1318 I1321 F1322 W1325	W845-P1068 HydrophobicContact CH2-CB 4.11Å; W845-P1068 HydrophobicContact CZ3-CB 4.42Å; D1064-P1068 WeakPolarHBondContact O-CD 3.32Å; P1068-L1070 VanDerWaalsContact C-N 3.29Å; P1068-L1070 PolarHBondContact O-N 3.37Å; P1068-I1071 PolarHBondContact O-N 3.37Å; P1068-I1072 PolarHBondContact O-N 3.18Å; P1068-I1072 VanDerWaalsContact O-N 3.12Å; P1068-K1313 HydrophobicContact CG-CD 3.61Å; P1068-K1313 HydrophobicContact CG-CG 4.17Å; P1068-Y1318 HydrophobicContact CB-CE1 4.38Å; P1068-Y1318 HydrophobicContact CG-CE1 3.95Å; P1068-I1321 HydrophobicContact CG-CG2 4.5Å; P1068-F1322 HydrophobicContact CB-CD1 4.4Å; P1068-F1322 HydrophobicContact CB-CE1 3.96Å; P1068-W1325 HydrophobicContact CB-CE3 4.19Å; P1068-W1325 HydrophobicContact CB-CH2 4.07Å; P1068-W1325 HydrophobicContact CB-CZ3 3.64Å; P1068-W1325 HydrophobicContact CG-CH2 3.65Å; P1068-W1325 HydrophobicContact CG-CZ2 4.34Å; P1068-W1325 HydrophobicContact CG-CZ3 3.78Å
1069	I	94.5	Very high	91.9	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-61.9	-41.5	-180	-44.4	176.8	0	0	0	109.9	W845 L1066 I1072 I1073 T1079 C1082 F1083 L1086 W1325	W845-I1069 HydrophobicContact CE3-CG1 4.45Å; W845-I1069 HydrophobicContact CE3-CG2 4.41Å; W845-I1069 HydrophobicContact CZ3-CB 4.25Å; W845-I1069 HydrophobicContact CZ3-CG1 3.99Å; L1066-I1069 WeakPolarHBondContact O-CB 3.43Å; L1066-I1069 PolarHBondContact O-N 3.15Å; I1069-I1072 PolarHBondContact O-N 3.29Å; I1069-I1073 HydrophobicContact CG2-CD1 3.72Å; I1069-I1073 HydrophobicContact CG2-CG1 4.26Å; I1069-I1073 WeakPolarHBondContact O-CB 3.21Å; I1069-I1073 PolarHBondContact O-N 2.91Å; I1069-T1079 HydrophobicContact CB-CG2 4.04Å; I1069-T1079 HydrophobicContact CG2-CG2 3.83Å; I1069-C1082 HydrophobicContact CG2-CB 3.83Å; I1069-F1083 HydrophobicContact CD1-CB 4.07Å; I1069-F1083 HydrophobicContact CD1-CD2 4.1Å; I1069-L1086 HydrophobicContact CD1-CD2 3.89Å; I1069-W1325 HydrophobicContact CG1-CZ3 4.29Å
1070	L	94.1	Very high	92.2	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-68.8	-34.7	179.2	-176.3	58.7	0	0	0	113	F1017 F1018 K1041 L1042 I1045 L1066 A1067 P1068 Q1074 T1079	F1017-L1070 HydrophobicContact CE1-CD2 4.26Å; F1017-L1070 HydrophobicContact CE1-CG 3.94Å; F1017-L1070 HydrophobicContact CZ-CG 4.22Å; F1018-L1070 HydrophobicContact CE1-CD2 4.12Å; F1018-L1070 HydrophobicContact CZ-CD2 4.3Å; K1041-L1070 HydrophobicContact CB-CD1 4.13Å; K1041-L1070 HydrophobicContact CB-CD2 3.98Å; K1041-L1070 HydrophobicContact CD-CD1 4.18Å; L1042-L1070 HydrophobicContact CB-CD2 3.8Å; L1042-L1070 HydrophobicContact CD1-CD2 3.73Å; L1042-L1070 HydrophobicContact CG-CD2 4.4Å; I1045-L1070 HydrophobicContact CD1-CD1 3.81Å; I1045-L1070 HydrophobicContact CD1-CD2 4.47Å; L1066-L1070 PolarHBondContact O-N 2.87Å; A1067-L1070 PolarHBondContact O-N 2.88Å; P1068-L1070 VanDerWaalsContact C-N 3.29Å; P1068-L1070 PolarHBondContact O-N 3.37Å; L1070-Q1074 VanDerWaalsContact O-CA 3.22Å; L1070-Q1074 WeakPolarHBondContact O-CA 3.32Å; L1070-Q1074 PolarHBondContact O-N 3.33Å; L1070-T1079 HydrophobicContact CB-CG2 3.89Å; L1070-T1079 HydrophobicContact CD1-CG2 4.09Å
1071	I	91.1	Very high	92.8	Very high	20 Å²	20	19.6 Å²	19.6	10%	0.103	10%	0.095	C	C	.	.	H	α-helix	trans	-66.2	-42.4	176	-75.7	159.8	0	0	0	111.2	F1017 F1018 A1067 P1068 Q1074 Y1318 F1322	F1017-I1071 HydrophobicContact CB-CG1 4.02Å; F1017-I1071 HydrophobicContact CD1-CG1 3.61Å; F1017-I1071 HydrophobicContact CD2-CG1 4.2Å; F1017-I1071 HydrophobicContact CE1-CG1 4.04Å; F1017-I1071 HydrophobicContact CG-CG1 3.7Å; F1017-I1071 HydrophobicContact CZ-CG1 4.49Å; F1018-I1071 HydrophobicContact CD2-CD1 4.29Å; F1018-I1071 HydrophobicContact CE2-CD1 3.6Å; F1018-I1071 HydrophobicContact CE2-CG1 3.96Å; F1018-I1071 HydrophobicContact CZ-CD1 4.36Å; F1018-I1071 HydrophobicContact CZ-CG1 4.27Å; A1067-I1071 WeakPolarHBondContact O-CG1 3.26Å; A1067-I1071 PolarHBondContact O-N 3.11Å; A1067-I1071 VanDerWaalsContact O-N 3.14Å; P1068-I1071 PolarHBondContact O-N 3.37Å; I1071-Q1074 VanDerWaalsContact O-CG 3.28Å; I1071-Q1074 WeakPolarHBondContact O-CG 3.31Å; I1071-Q1074 PolarHBondContact O-NE2 3.45Å; I1071-Q1074 VanDerWaalsContact O-NE2 3.15Å; I1071-Y1318 HydrophobicContact CD1-CD1 3.62Å; I1071-Y1318 HydrophobicContact CD1-CE1 3.28Å; I1071-Y1318 HydrophobicContact CD1-CE2 4.44Å; I1071-Y1318 HydrophobicContact CD1-CG 4.32Å; I1071-F1322 HydrophobicContact CG2-CZ 4.02Å
1072	I	90.1	Very high	93.2	Very high	44 Å²	44	19.5 Å²	19.5	23%	0.226	9%	0.094	C	C	.	.	H	α-helix	trans	-73	-51.7	179.2	-65.7	-60.8	0	0	0	111.7	W845 P1068 I1069 F1322	W845-I1072 HydrophobicContact CD2-CG2 4.3Å; W845-I1072 HydrophobicContact CE3-CB 4.48Å; W845-I1072 HydrophobicContact CE3-CG2 4.5Å; W845-I1072 HydrophobicContact CH2-CG1 3.97Å; W845-I1072 HydrophobicContact CZ2-CG1 4.02Å; W845-I1072 HydrophobicContact CZ3-CB 4.5Å; W845-I1072 HydrophobicContact CZ3-CG1 4.25Å; P1068-I1072 PolarHBondContact O-N 3.18Å; P1068-I1072 VanDerWaalsContact O-N 3.12Å; I1069-I1072 PolarHBondContact O-N 3.29Å; I1072-F1322 HydrophobicContact CD1-CD1 4.1Å; I1072-F1322 HydrophobicContact CD1-CD2 4.05Å; I1072-F1322 HydrophobicContact CD1-CE1 3.9Å; I1072-F1322 HydrophobicContact CD1-CE2 3.87Å; I1072-F1322 HydrophobicContact CD1-CG 4.18Å; I1072-F1322 HydrophobicContact CD1-CZ 3.78Å; I1072-F1322 HydrophobicContact CG1-CD1 4Å; I1072-F1322 HydrophobicContact CG1-CE1 3.74Å; I1072-F1322 HydrophobicContact CG1-CZ 4.08Å
1073	I	89.8	Confident	93.4	Very high	29 Å²	29	19.5 Å²	19.5	15%	0.149	9%	0.094	C	C	.	.	H	α-helix	trans	-88.1	-33.2	-168.5	-61	-173.2	0	0	0	112.8	I1069 D1075 K1078 C1082	I1069-I1073 HydrophobicContact CG2-CD1 3.72Å; I1069-I1073 HydrophobicContact CG2-CG1 4.26Å; I1069-I1073 WeakPolarHBondContact O-CB 3.21Å; I1069-I1073 PolarHBondContact O-N 2.91Å; I1073-D1075 HydrophobicContact CG2-CB 4.44Å; I1073-D1075 PolarHBondContact O-N 2.66Å; I1073-K1078 HydrophobicContact CG2-CB 3.72Å; I1073-K1078 HydrophobicContact CG2-CD 3.9Å; I1073-K1078 HydrophobicContact CG2-CG 3.81Å; I1073-C1082 HydrophobicContact CD1-CB 3.93Å; I1073-C1082 WeakPolarHBondContact CD1-SG 3.22Å
1074	Q	89.9	Confident	93.5	Very high	104 Å²	104	20.9 Å²	20.9	49%	0.486	10%	0.101	S	C	.	.			trans	60	-22.7	175.3	-51.3	-172.6	11.3	0	0	118.2	F1017 K1041 L1070 I1071	F1017-Q1074 HydrophobicContact CE2-CG 4.1Å; F1017-Q1074 HydrophobicContact CZ-CG 4.36Å; K1041-Q1074 PolarHBondContact NZ-O 2.66Å; L1070-Q1074 VanDerWaalsContact O-CA 3.22Å; L1070-Q1074 WeakPolarHBondContact O-CA 3.32Å; L1070-Q1074 PolarHBondContact O-N 3.33Å; I1071-Q1074 VanDerWaalsContact O-CG 3.28Å; I1071-Q1074 WeakPolarHBondContact O-CG 3.31Å; I1071-Q1074 PolarHBondContact O-NE2 3.45Å; I1071-Q1074 VanDerWaalsContact O-NE2 3.15Å
1075	D	90.9	Very high	93.5	Very high	64 Å²	64	21.7 Å²	21.7	34%	0.342	11%	0.107	S	C	.	.			trans	-85.6	125.4	175	-177.3	-5.9	0	0	0	110.4	I1073 Y1077 K1078 T1079	I1073-D1075 HydrophobicContact CG2-CB 4.44Å; I1073-D1075 PolarHBondContact O-N 2.66Å; D1075-Y1077 VanDerWaalsContact CG-CE1 3.41Å; D1075-Y1077 WeakPolarHBondContact OD1-CD1 3.36Å; D1075-Y1077 WeakPolarHBondContact OD1-CE1 3.33Å; D1075-Y1077 WeakPolarHBondContact OD2-CE1 3.35Å; D1075-Y1077 PolarHBondContact OD2-OH 2.85Å; D1075-K1078 HydrophobicContact CB-CB 4.08Å; D1075-T1079 VanDerWaalsContact O-CB 3.24Å; D1075-T1079 WeakPolarHBondContact O-CB 3.49Å; D1075-T1079 PolarHBondContact O-N 2.83Å; D1075-T1079 PolarHBondContact O-OG1 3.39Å
1076	E	93.8	Very high	93.5	Very high	40 Å²	40	21.8 Å²	21.8	19%	0.187	11%	0.108	C	C	.	.	H	α-helix	trans	-61.3	-52.7	-170	-73.1	-166.7	163	0	0	113.5	Y872 K1041 N1044 I1045 K1078 T1079 F1080	Y872-E1076 HydrophobicContact CE1-CB 3.7Å; Y872-E1076 VanDerWaalsContact CE1-OE2 3.27Å; Y872-E1076 WeakPolarHBondContact CE1-OE2 3.32Å; Y872-E1076 VanDerWaalsContact OH-CD 3.23Å; Y872-E1076 PolarHBondContact OH-OE2 3Å; K1041-E1076 WeakPolarHBondContact CA-OE1 3.4Å; K1041-E1076 HydrophobicContact CB-CG 4.06Å; K1041-E1076 HydrophobicContact CD-CG 4.34Å; K1041-E1076 HydrophobicContact CG-CG 3.8Å; N1044-E1076 PolarHBondContact ND2-OE1 2.87Å; I1045-E1076 HydrophobicContact CD1-CB 4.48Å; I1045-E1076 HydrophobicContact CG1-CB 4.33Å; E1076-K1078 VanDerWaalsContact C-N 3.31Å; E1076-K1078 PolarHBondContact O-N 3.09Å; E1076-T1079 PolarHBondContact O-N 3.3Å; E1076-F1080 VanDerWaalsContact O-CB 3.31Å; E1076-F1080 WeakPolarHBondContact O-CB 3.25Å; E1076-F1080 PolarHBondContact O-N 2.82Å
1077	Y	94.3	Very high	93.3	Very high	33 Å²	33	21.8 Å²	21.8	13%	0.129	11%	0.108	C	C	.	.	H	α-helix	trans	-69.4	-33.4	-173.8	78.2	-87	0	0	0	111.5	N865 Q868 K869 D1075 F1080 A1081	N865-Y1077 HydrophobicContact CB-CE2 4.15Å; N865-Y1077 WeakPolarHBondContact O-CE2 3.37Å; Q868-Y1077 HydrophobicContact CB-CD2 4.38Å; K869-Y1077 HydrophobicContact CB-CD1 4.2Å; K869-Y1077 HydrophobicContact CB-CD2 3.69Å; K869-Y1077 HydrophobicContact CB-CE2 4.1Å; K869-Y1077 HydrophobicContact CB-CG 3.79Å; K869-Y1077 HydrophobicContact CD-CD1 4.13Å; K869-Y1077 HydrophobicContact CD-CE1 4.1Å; K869-Y1077 HydrophobicContact CG-CD1 3.98Å; K869-Y1077 HydrophobicContact CG-CD2 4.37Å; K869-Y1077 HydrophobicContact CG-CE1 4.41Å; K869-Y1077 HydrophobicContact CG-CG 3.99Å; D1075-Y1077 VanDerWaalsContact CG-CE1 3.41Å; D1075-Y1077 WeakPolarHBondContact OD1-CD1 3.36Å; D1075-Y1077 WeakPolarHBondContact OD1-CE1 3.33Å; D1075-Y1077 WeakPolarHBondContact OD2-CE1 3.35Å; D1075-Y1077 PolarHBondContact OD2-OH 2.85Å; Y1077-F1080 WeakPolarHBondContact O-CB 3.49Å; Y1077-F1080 PolarHBondContact O-N 2.83Å; Y1077-A1081 WeakPolarHBondContact O-CB 3.38Å; Y1077-A1081 PolarHBondContact O-N 3.06Å
1078	K	93	Very high	93.1	Very high	61 Å²	61	27 Å²	27	27%	0.265	13%	0.13	S	C	.	.	H	α-helix	trans	-72.8	-40.2	179.2	-158.7	177.3	-163	-179.2	0	111.4	Y852 I1073 D1075 E1076 A1081 C1082	Y852-K1078 WeakPolarHBondContact OH-CE 3.39Å; I1073-K1078 HydrophobicContact CG2-CB 3.72Å; I1073-K1078 HydrophobicContact CG2-CD 3.9Å; I1073-K1078 HydrophobicContact CG2-CG 3.81Å; D1075-K1078 HydrophobicContact CB-CB 4.08Å; E1076-K1078 VanDerWaalsContact C-N 3.31Å; E1076-K1078 PolarHBondContact O-N 3.09Å; K1078-A1081 PolarHBondContact O-N 2.73Å; K1078-C1082 PolarHBondContact O-N 3.14Å; K1078-C1082 PolarHBondContact O-SG 2.7Å
1079	T	95.6	Very high	92.7	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-63.7	-45	170.7	-54.9	0	0	0	0	110.8	I1045 L1066 I1069 L1070 D1075 E1076 A1081 C1082 F1083	I1045-T1079 HydrophobicContact CD1-CG2 3.84Å; L1066-T1079 HydrophobicContact CD1-CG2 3.67Å; I1069-T1079 HydrophobicContact CB-CG2 4.04Å; I1069-T1079 HydrophobicContact CG2-CG2 3.83Å; L1070-T1079 HydrophobicContact CB-CG2 3.89Å; L1070-T1079 HydrophobicContact CD1-CG2 4.09Å; D1075-T1079 VanDerWaalsContact O-CB 3.24Å; D1075-T1079 WeakPolarHBondContact O-CB 3.49Å; D1075-T1079 PolarHBondContact O-N 2.83Å; D1075-T1079 PolarHBondContact O-OG1 3.39Å; E1076-T1079 PolarHBondContact O-N 3.3Å; T1079-A1081 PolarHBondContact O-N 2.94Å; T1079-C1082 PolarHBondContact O-N 2.81Å; T1079-F1083 VanDerWaalsContact O-CB 3.29Å; T1079-F1083 WeakPolarHBondContact O-CB 3.43Å; T1079-F1083 PolarHBondContact O-N 2.89Å
1080	F	96.6	Very high	92.4	Very high	2 Å²	2	29.3 Å²	29.3	1%	0.009	14%	0.139	C	C	.	.	H	α-helix	trans	-56.5	-47.9	174.6	160	-96.9	0	0	0	112.1	I871 Y872 I1045 T1048 W1049 L1052 E1076 Y1077 F1083 N1084	I871-F1080 HydrophobicContact CG2-CE1 4.3Å; I871-F1080 HydrophobicContact CG2-CZ 4.47Å; Y872-F1080 HydrophobicContact CD2-CB 3.65Å; Y872-F1080 AromaticContact CD2-CD1 3.77Å; Y872-F1080 HydrophobicContact CD2-CD1 3.77Å; Y872-F1080 AromaticContact CD2-CD2 3.96Å; Y872-F1080 HydrophobicContact CD2-CD2 3.96Å; Y872-F1080 HydrophobicContact CD2-CE1 4.45Å; Y872-F1080 AromaticContact CD2-CG 3.49Å; Y872-F1080 HydrophobicContact CD2-CG 3.49Å; Y872-F1080 VanDerWaalsContact CD2-CG 3.49Å; Y872-F1080 HydrophobicContact CE2-CB 3.96Å; Y872-F1080 HydrophobicContact CE2-CD2 4.41Å; Y872-F1080 HydrophobicContact CE2-CG 4.15Å; Y872-F1080 HydrophobicContact CG-CB 4.48Å; Y872-F1080 HydrophobicContact CG-CD1 4.26Å; Y872-F1080 HydrophobicContact CG-CG 4.37Å; I1045-F1080 HydrophobicContact CG1-CB 4.49Å; I1045-F1080 HydrophobicContact CG2-CB 3.91Å; T1048-F1080 HydrophobicContact CG2-CD2 4.25Å; T1048-F1080 HydrophobicContact CG2-CE2 4.01Å; T1048-F1080 HydrophobicContact CG2-CZ 4.5Å; W1049-F1080 HydrophobicContact CB-CD2 4.35Å; W1049-F1080 HydrophobicContact CB-CE2 4.15Å; L1052-F1080 HydrophobicContact CD1-CE2 4.01Å; L1052-F1080 HydrophobicContact CD1-CZ 3.6Å; E1076-F1080 VanDerWaalsContact O-CB 3.31Å; E1076-F1080 WeakPolarHBondContact O-CB 3.25Å; E1076-F1080 PolarHBondContact O-N 2.82Å; Y1077-F1080 WeakPolarHBondContact O-CB 3.49Å; Y1077-F1080 PolarHBondContact O-N 2.83Å; F1080-F1083 PolarHBondContact O-N 3.28Å; F1080-N1084 WeakPolarHBondContact O-CB 3.44Å; F1080-N1084 PolarHBondContact O-N 3.11Å
1081	A	95	Very high	92	Very high	1 Å²	1	30.6 Å²	30.6	1%	0.008	15%	0.146	C	C	.	.	H	α-helix	trans	-65	-43.3	-179.3	0	0	0	0	0	111.9	L851 Q868 Y1077 K1078 T1079 N1084 C1085	L851-A1081 HydrophobicContact CD1-CB 3.76Å; L851-A1081 HydrophobicContact CD2-CB 3.67Å; L851-A1081 HydrophobicContact CG-CB 4.38Å; Q868-A1081 HydrophobicContact CB-CB 4.12Å; Q868-A1081 HydrophobicContact CG-CB 4Å; Y1077-A1081 WeakPolarHBondContact O-CB 3.38Å; Y1077-A1081 PolarHBondContact O-N 3.06Å; K1078-A1081 PolarHBondContact O-N 2.73Å; T1079-A1081 PolarHBondContact O-N 2.94Å; A1081-N1084 WeakPolarHBondContact O-CB 3.32Å; A1081-N1084 PolarHBondContact O-N 3.38Å; A1081-C1085 PolarHBondContact O-N 2.92Å; A1081-C1085 VanDerWaalsContact O-N 3.11Å
1082	C	94.8	Very high	91.6	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-62.5	-42.6	173.4	-70.1	0	0	0	0	112.4	L849 I1069 I1073 K1078 T1079 N1084 C1085 L1086	L849-C1082 HydrophobicContact CD1-CB 3.69Å; I1069-C1082 HydrophobicContact CG2-CB 3.83Å; I1073-C1082 HydrophobicContact CD1-CB 3.93Å; I1073-C1082 WeakPolarHBondContact CD1-SG 3.22Å; K1078-C1082 PolarHBondContact O-N 3.14Å; K1078-C1082 PolarHBondContact O-SG 2.7Å; T1079-C1082 PolarHBondContact O-N 2.81Å; C1082-N1084 VanDerWaalsContact C-N 3.34Å; C1082-N1084 PolarHBondContact O-N 2.87Å; C1082-C1085 PolarHBondContact O-N 3.11Å; C1082-L1086 PolarHBondContact O-N 3.05Å
1083	F	96	Very high	91.4	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-63.3	-38.7	175.3	179.4	-106.2	0	0	0	112	W1049 M1062 L1065 L1066 I1069 T1079 F1080 C1085 L1086 M1087	W1049-F1083 HydrophobicContact CB-CD1 4.31Å; W1049-F1083 HydrophobicContact CB-CE1 4.15Å; W1049-F1083 AromaticContact CD1-CD1 3.88Å; W1049-F1083 HydrophobicContact CD2-CE1 4.08Å; W1049-F1083 AromaticContact CG-CD1 3.99Å; W1049-F1083 HydrophobicContact CG-CD1 3.99Å; W1049-F1083 AromaticContact CG-CE1 3.79Å; W1049-F1083 HydrophobicContact CG-CE1 3.79Å; M1062-F1083 HydrophobicContact CB-CZ 4.22Å; M1062-F1083 HydrophobicContact CE-CE1 4.14Å; M1062-F1083 HydrophobicContact CE-CZ 3.92Å; L1065-F1083 HydrophobicContact CB-CE2 4.29Å; L1066-F1083 HydrophobicContact CB-CD2 3.87Å; L1066-F1083 HydrophobicContact CB-CE2 3.85Å; L1066-F1083 HydrophobicContact CD1-CB 3.75Å; L1066-F1083 HydrophobicContact CD1-CD1 4.46Å; L1066-F1083 HydrophobicContact CD1-CD2 3.79Å; L1066-F1083 HydrophobicContact CD1-CG 3.75Å; L1066-F1083 HydrophobicContact CG-CD2 4.4Å; I1069-F1083 HydrophobicContact CD1-CB 4.07Å; I1069-F1083 HydrophobicContact CD1-CD2 4.1Å; T1079-F1083 VanDerWaalsContact O-CB 3.29Å; T1079-F1083 WeakPolarHBondContact O-CB 3.43Å; T1079-F1083 PolarHBondContact O-N 2.89Å; F1080-F1083 PolarHBondContact O-N 3.28Å; F1083-C1085 PolarHBondContact O-N 3.24Å; F1083-L1086 PolarHBondContact O-N 2.88Å; F1083-M1087 HydrophobicContact CD1-CG 4.06Å; F1083-M1087 HydrophobicContact CD2-CG 4.28Å; F1083-M1087 HydrophobicContact CE1-CG 3.61Å; F1083-M1087 HydrophobicContact CE1-SD 4.29Å; F1083-M1087 HydrophobicContact CE2-CG 3.86Å; F1083-M1087 HydrophobicContact CE2-SD 3.8Å; F1083-M1087 HydrophobicContact CG-CG 4.37Å; F1083-M1087 HydrophobicContact CZ-CG 3.5Å; F1083-M1087 VanDerWaalsContact CZ-CG 3.5Å; F1083-M1087 HydrophobicContact CZ-SD 3.58Å; F1083-M1087 VanDerWaalsContact CZ-SD 3.58Å; F1083-M1087 WeakPolarHBondContact O-CG 3.42Å; F1083-M1087 PolarHBondContact O-N 2.83Å
1084	N	94.4	Very high	91.2	Very high	32 Å²	32	29.5 Å²	29.5	17%	0.171	14%	0.143	C	C	.	.	H	α-helix	trans	-61.2	-44.9	175.7	-165.2	33.5	0	0	0	111.5	W1049 H1053 F1080 A1081 C1082 M1087 K1088	W1049-N1084 PolarHBondContact NE1-OD1 3.45Å; H1053-N1084 PolarHBondContact CE1-OD1 3.25Å; F1080-N1084 WeakPolarHBondContact O-CB 3.44Å; F1080-N1084 PolarHBondContact O-N 3.11Å; A1081-N1084 WeakPolarHBondContact O-CB 3.32Å; A1081-N1084 PolarHBondContact O-N 3.38Å; C1082-N1084 VanDerWaalsContact C-N 3.34Å; C1082-N1084 PolarHBondContact O-N 2.87Å; N1084-M1087 PolarHBondContact O-N 2.91Å; N1084-K1088 PolarHBondContact O-N 3.1Å; N1084-K1088 VanDerWaalsContact O-N 3.11Å
1085	C	93.4	Very high	90.3	Very high	24 Å²	24	26.3 Å²	26.3	16%	0.162	13%	0.132	C	C	.	.	H	α-helix	trans	-62.2	-41.3	173.9	-67.4	0	0	0	0	112.8	L849 A1081 C1082 F1083 K1088	L849-C1085 HydrophobicContact CB-CB 4.2Å; L849-C1085 WeakPolarHBondContact O-CB 3.32Å; A1081-C1085 PolarHBondContact O-N 2.92Å; A1081-C1085 VanDerWaalsContact O-N 3.11Å; C1082-C1085 PolarHBondContact O-N 3.11Å; F1083-C1085 PolarHBondContact O-N 3.24Å; C1085-K1088 PolarHBondContact O-N 2.83Å
1086	L	93.8	Very high	89.2	Confident	4 Å²	4	26.9 Å²	26.9	2%	0.021	14%	0.135	C	C	.	.	H	α-helix	trans	-63.5	-42	174.6	-178.6	63	0	0	0	112	L849 L1065 I1069 C1082 F1083 K1088 W1089 M1090 W1329	L849-L1086 HydrophobicContact CD2-CB 4.1Å; L849-L1086 HydrophobicContact CD2-CD1 4.17Å; L1065-L1086 HydrophobicContact CB-CD2 4.44Å; I1069-L1086 HydrophobicContact CD1-CD2 3.89Å; C1082-L1086 PolarHBondContact O-N 3.05Å; F1083-L1086 PolarHBondContact O-N 2.88Å; L1086-K1088 VanDerWaalsContact C-N 3.32Å; L1086-K1088 PolarHBondContact O-N 3.05Å; L1086-W1089 HydrophobicContact CD1-CE3 4.34Å; L1086-W1089 WeakPolarHBondContact O-CB 3.44Å; L1086-W1089 PolarHBondContact O-N 3.22Å; L1086-M1090 HydrophobicContact CD1-CG 3.91Å; L1086-M1090 HydrophobicContact CG-CG 4.05Å; L1086-M1090 PolarHBondContact O-N 2.9Å; L1086-W1329 HydrophobicContact CD1-CZ2 4.3Å
1087	M	91.6	Very high	87.3	Confident	0 Å²	0	32 Å²	32	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-64.5	-34.6	179.3	-71.4	-56.4	-61.5	0	0	112	W1049 M1062 L1065 F1083 N1084 W1089 M1090 L1091 F1094	W1049-M1087 HydrophobicContact CH2-CE 4.4Å; W1049-M1087 HydrophobicContact CZ2-CB 3.78Å; W1049-M1087 HydrophobicContact CZ2-CG 4.13Å; M1062-M1087 HydrophobicContact CE-CE 3.88Å; M1062-M1087 HydrophobicContact CE-SD 4.43Å; M1062-M1087 HydrophobicContact CG-CE 3.86Å; M1062-M1087 HydrophobicContact CG-SD 4.22Å; M1062-M1087 HydrophobicContact SD-CE 3.93Å; L1065-M1087 HydrophobicContact CD1-SD 4.41Å; F1083-M1087 HydrophobicContact CD1-CG 4.06Å; F1083-M1087 HydrophobicContact CD2-CG 4.28Å; F1083-M1087 HydrophobicContact CE1-CG 3.61Å; F1083-M1087 HydrophobicContact CE1-SD 4.29Å; F1083-M1087 HydrophobicContact CE2-CG 3.86Å; F1083-M1087 HydrophobicContact CE2-SD 3.8Å; F1083-M1087 HydrophobicContact CG-CG 4.37Å; F1083-M1087 HydrophobicContact CZ-CG 3.5Å; F1083-M1087 VanDerWaalsContact CZ-CG 3.5Å; F1083-M1087 HydrophobicContact CZ-SD 3.58Å; F1083-M1087 VanDerWaalsContact CZ-SD 3.58Å; F1083-M1087 WeakPolarHBondContact O-CG 3.42Å; F1083-M1087 PolarHBondContact O-N 2.83Å; N1084-M1087 PolarHBondContact O-N 2.91Å; M1087-W1089 PolarHBondContact O-N 3.49Å; M1087-M1090 PolarHBondContact O-N 3.07Å; M1087-M1090 VanDerWaalsContact O-N 3.16Å; M1087-L1091 HydrophobicContact CB-CD1 4.49Å; M1087-L1091 HydrophobicContact CB-CG 4.38Å; M1087-L1091 HydrophobicContact CE-CD2 3.66Å; M1087-L1091 HydrophobicContact CE-CG 3.92Å; M1087-L1091 VanDerWaalsContact O-CB 3.31Å; M1087-L1091 WeakPolarHBondContact O-CB 3.26Å; M1087-L1091 WeakPolarHBondContact O-CD1 3.4Å; M1087-L1091 WeakPolarHBondContact O-CG 3.37Å; M1087-L1091 PolarHBondContact O-N 3.42Å; M1087-F1094 HydrophobicContact CE-CD2 4.35Å; M1087-F1094 HydrophobicContact CE-CE2 3.96Å
1088	K	88.1	Confident	84.9	Confident	108 Å²	108	37.8 Å²	37.8	47%	0.47	19%	0.187	S	C	.	.	H	α-helix	trans	-55.3	-20.3	170.8	-72.2	-166.8	173.4	-165.2	0	113.3	N1084 C1085 L1086 D1236	N1084-K1088 PolarHBondContact O-N 3.1Å; N1084-K1088 VanDerWaalsContact O-N 3.11Å; C1085-K1088 PolarHBondContact O-N 2.83Å; L1086-K1088 VanDerWaalsContact C-N 3.32Å; L1086-K1088 PolarHBondContact O-N 3.05Å; K1088-D1236 IonicContact NZ-OD1 3.86Å; K1088-D1236 PolarHBondContact NZ-OD1 3.29Å
1089	W	86.2	Confident	82	Confident	43 Å²	43	40.1 Å²	40.1	16%	0.163	21%	0.211	C	C	.	.	H	α-helix	trans	-101.5	-33.5	175.4	-53.4	-15.7	0	0	0	113.9	L848 L849 L1086 M1087 P1092 W1329 R1332	L848-W1089 WeakPolarHBondContact O-CH2 3.48Å; L849-W1089 HydrophobicContact CD2-CH2 4.28Å; L849-W1089 HydrophobicContact CD2-CZ3 3.89Å; L1086-W1089 HydrophobicContact CD1-CE3 4.34Å; L1086-W1089 WeakPolarHBondContact O-CB 3.44Å; L1086-W1089 PolarHBondContact O-N 3.22Å; M1087-W1089 PolarHBondContact O-N 3.49Å; W1089-P1092 WeakPolarHBondContact O-CD 3.45Å; W1089-W1329 AromaticContact CZ3-CD1 3.88Å; W1089-W1329 HydrophobicContact CZ3-CG 4.22Å; W1089-R1332 VanDerWaalsContact CD2-NE 3.29Å; W1089-R1332 VanDerWaalsContact CE3-NE 3.28Å
1090	M	86.9	Confident	78.6	Confident	7 Å²	7	45.8 Å²	45.8	3%	0.034	25%	0.251	C	S	.	.	H	α-helix	trans	-88.5	-21.5	-174.6	-67.1	-61.4	-90.9	0	0	113.8	L1065 L1086 M1087 P1092 N1093 F1094 L1309 D1311	L1065-M1090 HydrophobicContact CD1-CB 4.18Å; L1065-M1090 HydrophobicContact CD1-CE 4.1Å; L1065-M1090 HydrophobicContact CD1-CG 4.23Å; L1065-M1090 HydrophobicContact CD2-CE 3.98Å; L1086-M1090 HydrophobicContact CD1-CG 3.91Å; L1086-M1090 HydrophobicContact CG-CG 4.05Å; L1086-M1090 PolarHBondContact O-N 2.9Å; M1087-M1090 PolarHBondContact O-N 3.07Å; M1087-M1090 VanDerWaalsContact O-N 3.16Å; M1090-P1092 VanDerWaalsContact C-CD 3.48Å; M1090-N1093 WeakPolarHBondContact O-CB 3.41Å; M1090-N1093 PolarHBondContact O-N 3.23Å; M1090-F1094 HydrophobicContact CB-CE2 4.23Å; M1090-F1094 VanDerWaalsContact O-CD2 3.32Å; M1090-F1094 WeakPolarHBondContact O-CD2 3.39Å; M1090-L1309 WeakPolarHBondContact CE-O 3.39Å; M1090-D1311 HydrophobicContact CE-CB 4.37Å; M1090-D1311 WeakPolarHBondContact CE-OD2 3.31Å
1091	L	86.2	Confident	75.3	Confident	26 Å²	26	50.7 Å²	50.7	14%	0.136	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-51.1	-43.6	-179.9	-82.6	168.6	0	0	0	115	W1049 I1056 M1087 N1093 F1094	W1049-L1091 HydrophobicContact CH2-CD1 4.28Å; W1049-L1091 HydrophobicContact CH2-CD2 4.1Å; W1049-L1091 HydrophobicContact CZ2-CD1 4.22Å; I1056-L1091 HydrophobicContact CD1-CD1 3.71Å; I1056-L1091 HydrophobicContact CD1-CD2 3.95Å; I1056-L1091 HydrophobicContact CD1-CG 4.48Å; I1056-L1091 HydrophobicContact CG2-CD2 3.66Å; M1087-L1091 HydrophobicContact CB-CD1 4.49Å; M1087-L1091 HydrophobicContact CB-CG 4.38Å; M1087-L1091 HydrophobicContact CE-CD2 3.66Å; M1087-L1091 HydrophobicContact CE-CG 3.92Å; M1087-L1091 VanDerWaalsContact O-CB 3.31Å; M1087-L1091 WeakPolarHBondContact O-CB 3.26Å; M1087-L1091 WeakPolarHBondContact O-CD1 3.4Å; M1087-L1091 WeakPolarHBondContact O-CG 3.37Å; M1087-L1091 PolarHBondContact O-N 3.42Å; L1091-N1093 PolarHBondContact O-N 3.36Å; L1091-N1093 VanDerWaalsContact O-N 3.15Å; L1091-F1094 PolarHBondContact O-N 3.48Å; L1091-F1094 VanDerWaalsContact O-N 3.09Å
1092	P	84	Confident	71.9	Confident	52 Å²	52	56.6 Å²	56.6	34%	0.338	33%	0.327	S	S	.	.	G	3₁₀ helix	trans	-60	-24.3	177.8	-25.9	36.1	0	0	0	114.7	W1089 M1090 F1094 C1269	W1089-P1092 WeakPolarHBondContact O-CD 3.45Å; M1090-P1092 VanDerWaalsContact C-CD 3.48Å; P1092-F1094 VanDerWaalsContact C-N 3.33Å; P1092-C1269 HydrophobicContact CB-CB 3.85Å; P1092-C1269 WeakPolarHBondContact O-CB 3.31Å
1093	N	84.6	Confident	68.6	Low	12 Å²	12	61.9 Å²	61.9	6%	0.064	36%	0.364	C	S	.	.	G	3₁₀ helix	trans	-75.1	-23.6	179.1	-62.2	-28.2	0	0	0	112.3	M1090 L1091 C1269 M1270 R1273 L1309	M1090-N1093 WeakPolarHBondContact O-CB 3.41Å; M1090-N1093 PolarHBondContact O-N 3.23Å; L1091-N1093 PolarHBondContact O-N 3.36Å; L1091-N1093 VanDerWaalsContact O-N 3.15Å; N1093-C1269 PolarHBondContact OD1-SG 3.14Å; N1093-M1270 HydrophobicContact CB-CG 4.21Å; N1093-M1270 HydrophobicContact CB-SD 3.93Å; N1093-M1270 WeakPolarHBondContact O-CG 3.2Å; N1093-R1273 PolarHBondContact ND2-NH1 3.47Å; N1093-L1309 HydrophobicContact CB-CD1 4.14Å; N1093-L1309 WeakPolarHBondContact O-CD1 3.39Å
1094	F	85	Confident	65	Low	6 Å²	6	67.7 Å²	67.7	3%	0.026	41%	0.405	C	S	.	.	S	Bend	trans	-82.1	143.9	179.2	-67.5	-79.3	0	0	0	111.9	I1059 M1062 L1065 M1087 M1090 L1091 P1092 L1096 L1309	I1059-F1094 HydrophobicContact CB-CD1 4Å; I1059-F1094 HydrophobicContact CB-CE1 4.41Å; I1059-F1094 HydrophobicContact CB-CG 4.41Å; I1059-F1094 HydrophobicContact CD1-CB 3.61Å; I1059-F1094 HydrophobicContact CD1-CD1 4.42Å; I1059-F1094 HydrophobicContact CD1-CG 4Å; I1059-F1094 HydrophobicContact CG2-CB 4.21Å; I1059-F1094 HydrophobicContact CG2-CD1 3.45Å; I1059-F1094 VanDerWaalsContact CG2-CD1 3.45Å; I1059-F1094 HydrophobicContact CG2-CE1 4.12Å; I1059-F1094 HydrophobicContact CG2-CG 4.08Å; M1062-F1094 HydrophobicContact CG-CZ 4.18Å; L1065-F1094 HydrophobicContact CD1-CE2 4.13Å; L1065-F1094 HydrophobicContact CD1-CZ 3.86Å; M1087-F1094 HydrophobicContact CE-CD2 4.35Å; M1087-F1094 HydrophobicContact CE-CE2 3.96Å; M1090-F1094 HydrophobicContact CB-CE2 4.23Å; M1090-F1094 VanDerWaalsContact O-CD2 3.32Å; M1090-F1094 WeakPolarHBondContact O-CD2 3.39Å; L1091-F1094 PolarHBondContact O-N 3.48Å; L1091-F1094 VanDerWaalsContact O-N 3.09Å; P1092-F1094 VanDerWaalsContact C-N 3.33Å; F1094-L1096 PolarHBondContact O-N 3.01Å; F1094-L1309 HydrophobicContact CD1-CD1 3.77Å; F1094-L1309 HydrophobicContact CD1-CD2 4.48Å; F1094-L1309 HydrophobicContact CD1-CG 4.39Å; F1094-L1309 HydrophobicContact CE1-CD1 3.88Å; F1094-L1309 HydrophobicContact CE1-CD2 4.21Å; F1094-L1309 HydrophobicContact CE1-CG 4.05Å; F1094-L1309 HydrophobicContact CG-CD1 4.25Å; F1094-L1309 HydrophobicContact CZ-CD1 4.43Å
1095	P	72.5	Confident	61.8	Low	37 Å²	37	72.8 Å²	72.8	24%	0.24	44%	0.437	C	S	.	.			trans	-79.5	69.1	-177.9	33.2	-36.4	0	0	0	112.2	M1144	P1095-M1144 HydrophobicContact CG-CE 3.79Å
1096	L	66.7	Low	58.5	Low	77 Å²	77	81 Å²	81	40%	0.403	47%	0.47	S	S	.	.			trans	-53.1	135.8	178.4	-63	173.5	0	0	0	112.1	I1056 I1059 F1094 K1098	I1056-L1096 HydrophobicContact CG2-CD2 3.91Å; I1059-L1096 HydrophobicContact CD1-CD2 3.71Å; F1094-L1096 PolarHBondContact O-N 3.01Å; L1096-K1098 PolarHBondContact O-N 3.41Å
1097	I	53.9	Low	55.2	Low	148 Å²	148	89.2 Å²	89.2	76%	0.759	51%	0.513	S	S	*	.			trans	-94.1	93.4	174.6	-56.5	176.9	0	0	0	107.7	S1099	I1097-S1099 PolarHBondContact O-N 3.1Å; I1097-S1099 VanDerWaalsContact O-N 3.08Å
1098	K	45.6	Very low	51.9	Low	153 Å²	153	94 Å²	94	67%	0.665	55%	0.547	S	S	*	.			trans	-60.7	112.9	171.7	-74.6	-179	176.1	172.8	0	109.4	L1096 S1100 S1266	L1096-K1098 PolarHBondContact O-N 3.41Å; K1098-S1100 VanDerWaalsContact C-N 3.33Å; K1098-S1100 PolarHBondContact O-N 3.12Å; K1098-S1266 PolarHBondContact NZ-OG 2.99Å
1099	S	30.8	Very low	49	Very low	110 Å²	110	95 Å²	95	77%	0.769	56%	0.564	S	S	*	*			trans	-72.5	81.5	177.4	39.5	0	0	0	0	110.9	I1097 S1101	I1097-S1099 PolarHBondContact O-N 3.1Å; I1097-S1099 VanDerWaalsContact O-N 3.08Å; S1099-S1101 PolarHBondContact O-N 3.17Å
1100	S	25.3	Very low	46	Very low	119 Å²	119	98.1 Å²	98.1	83%	0.832	59%	0.593	S	S	*	*			trans	-75.3	62.5	-175	58.1	0	0	0	0	114	K1098	K1098-S1100 VanDerWaalsContact C-N 3.33Å; K1098-S1100 PolarHBondContact O-N 3.12Å
1101	S	26.5	Very low	43	Very low	106 Å²	106	106.8 Å²	106.8	74%	0.741	63%	0.633	S	S	*	*			trans	-167.5	94.2	164.8	42.4	0	0	0	0	114.3	S1099	S1099-S1101 PolarHBondContact O-N 3.17Å
1102	S	22.9	Very low	40	Very low	125 Å²	125	112.3 Å²	112.3	87%	0.874	67%	0.668	S	S	*	*			trans	-130.8	26.4	158.3	57.5	0	0	0	0	112.7
1103	S	25.5	Very low	37.1	Very low	111 Å²	111	115.3 Å²	115.3	78%	0.776	69%	0.687	S	S	*	*			trans	-100.2	108	172.2	43.5	0	0	0	0	111.1
1104	S	22.2	Very low	34.2	Very low	122 Å²	122	123 Å²	123	85%	0.853	73%	0.728	S	S	*	*			trans	-96.8	92.3	-172.6	42.9	0	0	0	0	113.4
1105	T	25.7	Very low	31.2	Very low	139 Å²	139	131 Å²	131	85%	0.853	77%	0.769	S	S	*	*			trans	-138.2	133.9	166	-39.8	0	0	0	0	111.3
1106	K	24.3	Very low	28.9	Very low	197 Å²	197	136.5 Å²	136.5	86%	0.857	80%	0.796	S	S	*	*			trans	-83.1	138.3	179.6	-61.8	173.9	-180	175.4	0	111.2
1107	L	24.3	Very low	27	Very low	175 Å²	175	135.9 Å²	135.9	92%	0.916	80%	0.798	S	S	*	*			trans	-161.4	168.2	141	-106.7	157.3	0	0	0	110.4
1108	S	23	Very low	25.7	Very low	101 Å²	101	139.8 Å²	139.8	71%	0.706	80%	0.803	S	S	*	*			trans	-88.1	158	-159.1	45.6	0	0	0	0	115.4
1109	P	26.8	Very low	24.7	Very low	130 Å²	130	136.1 Å²	136.1	84%	0.844	80%	0.797	S	S	*	*			trans	-91	133.6	-169.6	34.7	-34.3	0	0	0	114.4
1110	S	22.6	Very low	24.4	Very low	108 Å²	108	134.1 Å²	134.1	76%	0.755	78%	0.783	S	S	*	*			trans	-160.7	71.7	161.8	61.2	0	0	0	0	112.5
1111	E	24.3	Very low	24.6	Very low	189 Å²	189	134.4 Å²	134.4	88%	0.883	77%	0.774	S	S	*	*			trans	-178	142.3	149.7	-104.9	159.4	-144.7	0	0	110.1	P1113	E1111-P1113 WeakPolarHBondContact O-CD 3.47Å
1112	T	23.1	Very low	24.7	Very low	142 Å²	142	137 Å²	137	87%	0.871	77%	0.774	S	S	*	*			trans	-123.1	92.9	-169.1	50.5	0	0	0	0	113.4
1113	P	24.5	Very low	24.9	Very low	114 Å²	114	140 Å²	140	74%	0.74	77%	0.771	S	S	*	*			trans	-76.1	141	155	31.7	-31.1	0	0	0	110.1	E1111 L1115	E1111-P1113 WeakPolarHBondContact O-CD 3.47Å; P1113-L1115 PolarHBondContact O-N 2.75Å; P1113-L1115 VanDerWaalsContact O-N 3.1Å
1114	L	23.3	Very low	24.9	Very low	175 Å²	175	140.5 Å²	140.5	92%	0.916	77%	0.77	S	S	*	*			trans	-58.1	107.8	-167.4	-67	165.4	0	0	0	114.4	L1116	L1114-L1116 PolarHBondContact O-N 3.16Å; L1114-L1116 VanDerWaalsContact O-N 3.13Å
1115	L	22.2	Very low	25.2	Very low	172 Å²	172	141.9 Å²	141.9	90%	0.901	77%	0.766	S	S	*	*			trans	-68.7	103.6	160.6	-84.4	172.2	0	0	0	109.8	P1113 S1117	P1113-L1115 PolarHBondContact O-N 2.75Å; P1113-L1115 VanDerWaalsContact O-N 3.1Å; L1115-S1117 PolarHBondContact O-N 3.27Å
1116	L	24.7	Very low	25.2	Very low	154 Å²	154	141.9 Å²	141.9	81%	0.806	76%	0.761	S	S	*	*			trans	-66.4	96.7	163.8	-94.2	165.1	0	0	0	109	L1114	L1114-L1116 PolarHBondContact O-N 3.16Å; L1114-L1116 VanDerWaalsContact O-N 3.13Å
1117	S	25.3	Very low	25.3	Very low	63 Å²	63	140 Å²	140	44%	0.441	76%	0.76	S	S	.	*			trans	-57.6	136.6	-179.3	49.2	0	0	0	0	112	L1115 S1119 S1120	L1115-S1117 PolarHBondContact O-N 3.27Å; S1117-S1119 PolarHBondContact O-N 3.46Å; S1117-S1119 PolarHBondContact OG-OG 3.2Å; S1117-S1120 PolarHBondContact O-N 3.43Å; S1117-S1120 PolarHBondContact OG-OG 3.32Å
1118	R	26.9	Very low	25.4	Very low	230 Å²	230	139.8 Å²	139.8	87%	0.868	76%	0.76	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60	-1.3	-176.5	-154.4	172.2	179.4	-173.8	-4.5	114.6
1119	S	25	Very low	25.5	Very low	77 Å²	77	139.6 Å²	139.6	54%	0.538	76%	0.759	S	S	.	*	T	Hydrogen-bonded Turn	trans	-99.8	-6.5	-176.5	52.7	0	0	0	0	115.5	S1117	S1117-S1119 PolarHBondContact O-N 3.46Å; S1117-S1119 PolarHBondContact OG-OG 3.2Å
1120	S	25.2	Very low	25.6	Very low	67 Å²	67	140.5 Å²	140.5	47%	0.469	76%	0.757	S	S	.	*	S	Bend	trans	-100.3	-4.2	-171.1	-53.7	0	0	0	0	115.4	S1117	S1117-S1120 PolarHBondContact O-N 3.43Å; S1117-S1120 PolarHBondContact OG-OG 3.32Å
1121	I	29.3	Very low	25.8	Very low	126 Å²	126	141.6 Å²	141.6	65%	0.646	75%	0.754	S	S	*	*	S	Bend	trans	-97.8	-27.5	-176.7	-67.2	177	0	0	0	112.4	K1123	I1121-K1123 VanDerWaalsContact C-N 3.32Å; I1121-K1123 PolarHBondContact O-N 3.26Å
1122	E	28.3	Very low	26	Very low	159 Å²	159	139 Å²	139	74%	0.743	75%	0.746	S	S	*	*	G	3₁₀ helix	trans	-79.2	-10.9	-174.4	-61	-172.5	134.6	0	0	114.3
1123	K	26.3	Very low	26.3	Very low	188 Å²	188	137.9 Å²	137.9	82%	0.817	74%	0.735	S	S	*	*	G	3₁₀ helix	trans	-90.1	1.1	-178.2	-69.7	-171.5	175.5	-177.9	0	115.1	I1121	I1121-K1123 VanDerWaalsContact C-N 3.32Å; I1121-K1123 PolarHBondContact O-N 3.26Å
1124	T	25.8	Very low	26.7	Very low	123 Å²	123	139.3 Å²	139.3	76%	0.755	73%	0.732	S	S	*	*	G	3₁₀ helix	trans	-117.9	11.9	-176.4	-29	0	0	0	0	113.5
1125	I	29.5	Very low	27.2	Very low	150 Å²	150	134.4 Å²	134.4	77%	0.769	71%	0.709	S	S	*	*	S	Bend	trans	-126.3	40	174.5	-38.8	-178.1	0	0	0	110.2
1126	N	25.3	Very low	27.8	Very low	139 Å²	139	129.8 Å²	129.8	74%	0.743	68%	0.684	S	S	*	*			trans	-140.2	54.3	179.4	-148.3	14.9	0	0	0	112.1
1127	N	25.2	Very low	28.2	Very low	157 Å²	157	125.2 Å²	125.2	84%	0.84	66%	0.657	S	S	*	*	S	Bend	trans	-163	76.9	166.2	-104.3	-22.3	0	0	0	110.1
1128	N	26.6	Very low	28.8	Very low	171 Å²	171	127.3 Å²	127.3	91%	0.914	66%	0.655	S	S	*	*			trans	167.4	80.5	152.9	-89.4	-20.3	0	0	0	109
1129	S	26.2	Very low	29.4	Very low	98 Å²	98	120 Å²	120	69%	0.685	64%	0.635	S	S	*	*			trans	-87.5	123.1	164.4	-167.7	0	0	0	0	108.9
1130	N	27.4	Very low	30.7	Very low	149 Å²	149	118.5 Å²	118.5	80%	0.797	62%	0.623	S	S	*	*			trans	-168.3	107.1	157.8	-99.6	-35.9	0	0	0	110.2
1131	N	27.5	Very low	31.8	Very low	131 Å²	131	115.9 Å²	115.9	70%	0.701	60%	0.604	S	S	*	*	S	Bend	trans	39.1	105.3	151.5	-54.9	-7.1	0	0	0	119.3
1132	N	27.9	Very low	32.8	Very low	133 Å²	133	113.2 Å²	113.2	71%	0.711	59%	0.591	S	S	*	*			trans	172.7	80.7	138.4	-89.8	-35.2	0	0	0	111.1	H1134 T1135	N1132-H1134 PolarHBondContact O-N 3.1Å; N1132-T1135 VanDerWaalsContact O-CB 3.28Å; N1132-T1135 WeakPolarHBondContact O-CB 3.2Å; N1132-T1135 PolarHBondContact O-N 3.28Å; N1132-T1135 PolarHBondContact O-OG1 3.43Å
1133	D	31	Very low	34	Very low	119 Å²	119	110 Å²	110	64%	0.636	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.2	-27.5	-165.5	-78.4	-72	0	0	0	117	T1135 I1136	D1133-T1135 PolarHBondContact O-N 3.45Å; D1133-I1136 PolarHBondContact O-N 2.97Å; D1133-I1136 VanDerWaalsContact O-N 3.1Å; D1133-I1136 VanDerWaalsContact OD1-CD1 3.31Å; D1133-I1136 WeakPolarHBondContact OD1-CD1 3.3Å
1134	H	31.7	Very low	35.2	Very low	145 Å²	145	102.8 Å²	102.8	67%	0.671	55%	0.546	S	S	*	.	H	α-helix	trans	-59.8	-15.4	173.7	-79.1	-72.1	0	0	0	113.5	N1132	N1132-H1134 PolarHBondContact O-N 3.1Å
1135	T	34.1	Very low	36.2	Very low	71 Å²	71	97 Å²	97	44%	0.436	51%	0.51	S	S	.	.	H	α-helix	trans	-76.5	-27.8	178.2	-38.7	0	0	0	0	112.8	N1132 D1133 R1137 R1138 T1139	N1132-T1135 VanDerWaalsContact O-CB 3.28Å; N1132-T1135 WeakPolarHBondContact O-CB 3.2Å; N1132-T1135 PolarHBondContact O-N 3.28Å; N1132-T1135 PolarHBondContact O-OG1 3.43Å; D1133-T1135 PolarHBondContact O-N 3.45Å; T1135-R1137 PolarHBondContact O-N 3.44Å; T1135-R1138 PolarHBondContact O-N 2.95Å; T1135-T1139 HydrophobicContact CG2-CG2 4.38Å; T1135-T1139 PolarHBondContact O-N 3.12Å; T1135-T1139 PolarHBondContact O-OG1 2.69Å
1136	I	34.1	Very low	37.2	Very low	75 Å²	75	93.1 Å²	93.1	39%	0.385	49%	0.493	S	S	.	.	H	α-helix	trans	-72.4	-28	-166.8	-58.1	-179.7	0	0	0	112.7	D1133 T1139 T1140	D1133-I1136 PolarHBondContact O-N 2.97Å; D1133-I1136 VanDerWaalsContact O-N 3.1Å; D1133-I1136 VanDerWaalsContact OD1-CD1 3.31Å; D1133-I1136 WeakPolarHBondContact OD1-CD1 3.3Å; I1136-T1139 PolarHBondContact O-OG1 2.82Å; I1136-T1140 PolarHBondContact O-OG1 3.2Å; I1136-T1140 VanDerWaalsContact O-OG1 3.11Å
1137	R	32.7	Very low	38.4	Very low	59 Å²	59	89.7 Å²	89.7	22%	0.223	48%	0.475	C	S	.	.	H	α-helix	trans	-74.4	-37.6	172.1	-79	179.1	141.9	-154	-21.8	112.2	R1010 D1012 D1064 T1135 T1140 R1314	R1010-R1137 PolarHBondContact O-NH1 3.09Å; R1010-R1137 VanDerWaalsContact O-NH1 3.11Å; R1010-R1137 PolarHBondContact O-NH2 3.14Å; D1012-R1137 IonicContact OD1-CZ 2.63Å; D1012-R1137 IonicContact OD1-NH1 3.68Å; D1012-R1137 PolarHBondContact OD1-NH1 3.34Å; D1012-R1137 IonicContact OD1-NH2 3.76Å; D1064-R1137 IonicContact OD1-NH2 3.88Å; T1135-R1137 PolarHBondContact O-N 3.44Å; R1137-T1140 PolarHBondContact O-OG1 2.8Å; R1137-R1314 VanDerWaalsContact CZ-NH2 3.3Å
1138	R	39.9	Very low	39.4	Very low	106 Å²	106	82.8 Å²	82.8	40%	0.4	44%	0.44	S	S	.	.	H	α-helix	trans	-67.7	-38.1	-179.1	-71.6	174.4	164.1	150.4	-5.9	112.1	T1135 N1370	T1135-R1138 PolarHBondContact O-N 2.95Å; R1138-N1370 PolarHBondContact NE-OD1 3.38Å; R1138-N1370 PolarHBondContact NH2-O 2.96Å
1139	T	39.4	Very low	40.1	Very low	76 Å²	76	75.4 Å²	75.4	47%	0.466	40%	0.402	S	S	.	.	H	α-helix	trans	-71.3	-31.6	-177.7	44	0	0	0	0	114.5	T1135 I1136 Q1143	T1135-T1139 HydrophobicContact CG2-CG2 4.38Å; T1135-T1139 PolarHBondContact O-N 3.12Å; T1135-T1139 PolarHBondContact O-OG1 2.69Å; I1136-T1139 PolarHBondContact O-OG1 2.82Å; T1139-Q1143 WeakPolarHBondContact O-CB 3.38Å; T1139-Q1143 PolarHBondContact O-N 3.35Å
1140	T	51.5	Low	41.1	Very low	46 Å²	46	78.6 Å²	78.6	28%	0.282	40%	0.399	S	S	.	.	H	α-helix	trans	-72.9	-40.5	-174.8	16.1	0	0	0	0	113.5	Q1060 I1136 R1137 Q1143 M1144	Q1060-T1140 VanDerWaalsContact NE2-CB 3.33Å; Q1060-T1140 PolarHBondContact NE2-OG1 2.88Å; I1136-T1140 PolarHBondContact O-OG1 3.2Å; I1136-T1140 VanDerWaalsContact O-OG1 3.11Å; R1137-T1140 PolarHBondContact O-OG1 2.8Å; T1140-Q1143 WeakPolarHBondContact O-CB 3.29Å; T1140-Q1143 PolarHBondContact O-N 2.99Å; T1140-M1144 PolarHBondContact O-N 2.99Å
1141	L	48	Very low	42.1	Very low	13 Å²	13	77.3 Å²	77.3	7%	0.068	38%	0.383	C	S	.	.	H	α-helix	trans	-70.7	-36.4	174.6	-77.7	168.1	0	0	0	112.3	Q1143 M1144 A1145 R1306 L1309 L1310	L1141-Q1143 VanDerWaalsContact C-N 3.3Å; L1141-Q1143 PolarHBondContact O-N 3.03Å; L1141-M1144 HydrophobicContact CD2-SD 4.08Å; L1141-M1144 PolarHBondContact O-N 2.95Å; L1141-A1145 PolarHBondContact O-N 3.3Å; L1141-R1306 HydrophobicContact CD1-CG 4.26Å; L1141-L1309 HydrophobicContact CD2-CD2 3.65Å; L1141-L1310 HydrophobicContact CD1-CD1 3.89Å
1142	L	50.6	Low	42.7	Very low	70 Å²	70	73.4 Å²	73.4	37%	0.366	36%	0.359	S	S	.	.	H	α-helix	trans	-60.2	-40.2	167.6	-91.7	163.9	0	0	0	111.4	M1144 A1145 V1146	L1142-M1144 VanDerWaalsContact C-N 3.33Å; L1142-M1144 PolarHBondContact O-N 3.13Å; L1142-A1145 PolarHBondContact O-N 3.18Å; L1142-V1146 WeakPolarHBondContact O-CB 3.41Å; L1142-V1146 VanDerWaalsContact O-CG2 3.28Å; L1142-V1146 WeakPolarHBondContact O-CG2 3.25Å; L1142-V1146 PolarHBondContact O-N 3.33Å
1143	Q	53.3	Low	43.3	Very low	91 Å²	91	70 Å²	70	43%	0.425	34%	0.343	S	S	.	.	H	α-helix	trans	-65.7	-34.1	175.1	-166.8	63.2	57.9	0	0	112.2	T1139 T1140 L1141 N1147	T1139-Q1143 WeakPolarHBondContact O-CB 3.38Å; T1139-Q1143 PolarHBondContact O-N 3.35Å; T1140-Q1143 WeakPolarHBondContact O-CB 3.29Å; T1140-Q1143 PolarHBondContact O-N 2.99Å; L1141-Q1143 VanDerWaalsContact C-N 3.3Å; L1141-Q1143 PolarHBondContact O-N 3.03Å; Q1143-N1147 PolarHBondContact NE2-OD1 3.36Å; Q1143-N1147 WeakPolarHBondContact O-CB 3.47Å; Q1143-N1147 PolarHBondContact O-N 3.08Å; Q1143-N1147 PolarHBondContact O-ND2 3.26Å; Q1143-N1147 PolarHBondContact O-OD1 3.1Å
1144	M	50.8	Low	43.6	Very low	37 Å²	37	70 Å²	70	18%	0.182	34%	0.342	C	S	.	.	H	α-helix	trans	-65.8	-44.3	171.9	-71.5	177.7	68.6	0	0	111.8	I1059 Q1060 P1095 T1140 L1141 L1142 N1147 A1148	I1059-M1144 HydrophobicContact CG2-CE 4.34Å; Q1060-M1144 HydrophobicContact CB-SD 4.32Å; P1095-M1144 HydrophobicContact CG-CE 3.79Å; T1140-M1144 PolarHBondContact O-N 2.99Å; L1141-M1144 HydrophobicContact CD2-SD 4.08Å; L1141-M1144 PolarHBondContact O-N 2.95Å; L1142-M1144 VanDerWaalsContact C-N 3.33Å; L1142-M1144 PolarHBondContact O-N 3.13Å; M1144-N1147 PolarHBondContact O-N 2.97Å; M1144-A1148 WeakPolarHBondContact O-CB 3.39Å; M1144-A1148 PolarHBondContact O-N 3.4Å
1145	A	47.2	Very low	43.8	Very low	2 Å²	2	66.7 Å²	66.7	2%	0.017	33%	0.332	C	S	.	.	H	α-helix	trans	-62.3	-44	174.7	0	0	0	0	0	112.2	L1141 L1142 A1148 A1149 Y1305	L1141-A1145 PolarHBondContact O-N 3.3Å; L1142-A1145 PolarHBondContact O-N 3.18Å; A1145-A1148 WeakPolarHBondContact O-CB 3.27Å; A1145-A1148 PolarHBondContact O-N 3.49Å; A1145-A1149 PolarHBondContact O-N 3.16Å; A1145-Y1305 HydrophobicContact CB-CD1 3.99Å; A1145-Y1305 HydrophobicContact CB-CD2 3.96Å; A1145-Y1305 HydrophobicContact CB-CE1 4.4Å; A1145-Y1305 HydrophobicContact CB-CE2 4.43Å; A1145-Y1305 HydrophobicContact CB-CG 3.78Å
1146	V	51.5	Low	43.7	Very low	68 Å²	68	69.9 Å²	69.9	41%	0.412	34%	0.344	S	S	.	.	H	α-helix	trans	-65.3	-37.2	174.8	168.6	0	0	0	0	111.8	L1142 A1148 A1149 R1150	L1142-V1146 WeakPolarHBondContact O-CB 3.41Å; L1142-V1146 VanDerWaalsContact O-CG2 3.28Å; L1142-V1146 WeakPolarHBondContact O-CG2 3.25Å; L1142-V1146 PolarHBondContact O-N 3.33Å; V1146-A1148 VanDerWaalsContact C-N 3.34Å; V1146-A1149 PolarHBondContact O-N 3.33Å; V1146-R1150 WeakPolarHBondContact O-CB 3.37Å; V1146-R1150 PolarHBondContact O-N 3.48Å
1147	N	50.2	Low	43.6	Very low	66 Å²	66	73.9 Å²	73.9	35%	0.353	36%	0.36	S	S	.	.	H	α-helix	trans	-74	-24	175.4	-71.7	-8.6	0	0	0	112.7	Q1143 M1144 R1151	Q1143-N1147 PolarHBondContact NE2-OD1 3.36Å; Q1143-N1147 WeakPolarHBondContact O-CB 3.47Å; Q1143-N1147 PolarHBondContact O-N 3.08Å; Q1143-N1147 PolarHBondContact O-ND2 3.26Å; Q1143-N1147 PolarHBondContact O-OD1 3.1Å; M1144-N1147 PolarHBondContact O-N 2.97Å; N1147-R1151 WeakPolarHBondContact O-CG 3.42Å; N1147-R1151 PolarHBondContact O-N 3.25Å; N1147-R1151 PolarHBondContact O-NE 3.4Å
1148	A	46	Very low	43.6	Very low	12 Å²	12	75.9 Å²	75.9	10%	0.099	38%	0.383	C	S	.	.	H	α-helix	trans	-73.4	-46.6	168.5	0	0	0	0	0	110.8	M1144 A1145 V1146 R1150 R1151 R1152	M1144-A1148 WeakPolarHBondContact O-CB 3.39Å; M1144-A1148 PolarHBondContact O-N 3.4Å; A1145-A1148 WeakPolarHBondContact O-CB 3.27Å; A1145-A1148 PolarHBondContact O-N 3.49Å; V1146-A1148 VanDerWaalsContact C-N 3.34Å; A1148-R1150 PolarHBondContact O-N 3.25Å; A1148-R1151 WeakPolarHBondContact O-CB 3.31Å; A1148-R1151 PolarHBondContact O-N 3.31Å; A1148-R1151 VanDerWaalsContact O-N 3.15Å; A1148-R1152 PolarHBondContact O-N 2.87Å
1149	A	42.1	Very low	43.2	Very low	16 Å²	16	79.5 Å²	79.5	13%	0.132	40%	0.402	C	S	.	.	H	α-helix	trans	-58.2	-47	173.8	0	0	0	0	0	112.1	A1145 V1146 R1151 R1152 T1153 L1302	A1145-A1149 PolarHBondContact O-N 3.16Å; V1146-A1149 PolarHBondContact O-N 3.33Å; A1149-R1151 VanDerWaalsContact C-N 3.28Å; A1149-R1151 PolarHBondContact O-N 3.48Å; A1149-R1152 WeakPolarHBondContact O-CA 3.47Å; A1149-R1152 WeakPolarHBondContact O-CB 3.41Å; A1149-R1152 PolarHBondContact O-N 3.13Å; A1149-T1153 PolarHBondContact O-N 2.99Å; A1149-T1153 PolarHBondContact O-OG1 3.4Å; A1149-T1153 VanDerWaalsContact O-OG1 3.12Å; A1149-L1302 HydrophobicContact CB-CD1 4.42Å
1150	R	46.6	Very low	42.6	Very low	166 Å²	166	78.5 Å²	78.5	63%	0.626	39%	0.394	S	S	*	.	H	α-helix	trans	-56.1	-38.1	174.2	-101.4	-177.3	170.9	172.8	-2.4	113.3	V1146 A1148 R1152 T1153 I1154	V1146-R1150 WeakPolarHBondContact O-CB 3.37Å; V1146-R1150 PolarHBondContact O-N 3.48Å; A1148-R1150 PolarHBondContact O-N 3.25Å; R1150-R1152 VanDerWaalsContact C-N 3.3Å; R1150-R1152 PolarHBondContact O-N 2.84Å; R1150-T1153 PolarHBondContact O-N 3.41Å; R1150-I1154 WeakPolarHBondContact O-CG1 3.02Å; R1150-I1154 PolarHBondContact O-N 3.11Å; R1150-I1154 VanDerWaalsContact O-N 3.13Å
1151	R	47.9	Very low	41.4	Very low	122 Å²	122	83.1 Å²	83.1	46%	0.46	42%	0.417	S	S	.	.	H	α-helix	trans	-62.5	-37.7	174.9	-82.9	-174.7	-91.9	-174	-5.4	111.3	N1147 A1148 A1149 I1154 T1155	N1147-R1151 WeakPolarHBondContact O-CG 3.42Å; N1147-R1151 PolarHBondContact O-N 3.25Å; N1147-R1151 PolarHBondContact O-NE 3.4Å; A1148-R1151 WeakPolarHBondContact O-CB 3.31Å; A1148-R1151 PolarHBondContact O-N 3.31Å; A1148-R1151 VanDerWaalsContact O-N 3.15Å; A1149-R1151 VanDerWaalsContact C-N 3.28Å; A1149-R1151 PolarHBondContact O-N 3.48Å; R1151-I1154 PolarHBondContact O-N 3.31Å; R1151-T1155 PolarHBondContact O-N 3.04Å; R1151-T1155 VanDerWaalsContact O-N 3.07Å; R1151-T1155 PolarHBondContact O-OG1 3.33Å
1152	R	41.4	Very low	40.6	Very low	48 Å²	48	89.6 Å²	89.6	18%	0.181	46%	0.457	C	S	.	.	H	α-helix	trans	-66.7	-41.9	174	-58.4	-179.3	-165.9	100.2	24.3	112.6	A1148 A1149 R1150 I1154 T1155 M1156 D1271	A1148-R1152 PolarHBondContact O-N 2.87Å; A1149-R1152 WeakPolarHBondContact O-CA 3.47Å; A1149-R1152 WeakPolarHBondContact O-CB 3.41Å; A1149-R1152 PolarHBondContact O-N 3.13Å; R1150-R1152 VanDerWaalsContact C-N 3.3Å; R1150-R1152 PolarHBondContact O-N 2.84Å; R1152-I1154 VanDerWaalsContact C-N 3.29Å; R1152-I1154 PolarHBondContact O-N 2.85Å; R1152-T1155 WeakPolarHBondContact CA-OG1 3.16Å; R1152-T1155 PolarHBondContact O-N 2.65Å; R1152-T1155 PolarHBondContact O-OG1 2.91Å; R1152-T1155 VanDerWaalsContact O-OG1 3.11Å; R1152-M1156 WeakPolarHBondContact O-CB 3.33Å; R1152-M1156 WeakPolarHBondContact O-CG 3.25Å; R1152-M1156 PolarHBondContact O-N 3.28Å; R1152-D1271 IonicContact CZ-OD1 3.75Å; R1152-D1271 IonicContact CZ-OD2 2.7Å; R1152-D1271 IonicContact NE-OD1 3.9Å; R1152-D1271 IonicContact NE-OD2 3.65Å; R1152-D1271 PolarHBondContact NE-OD2 3.39Å; R1152-D1271 IonicContact NH1-OD1 3.37Å; R1152-D1271 IonicContact NH2-OD1 2.77Å; R1152-D1271 PolarHBondContact NH2-OD1 3.16Å; R1152-D1271 IonicContact NH2-OD2 2.69Å; R1152-D1271 PolarHBondContact NH2-OD2 3.34Å
1153	T	38.7	Very low	39.4	Very low	63 Å²	63	90.4 Å²	90.4	39%	0.387	46%	0.461	S	S	.	.	H	α-helix	trans	-60.2	-41.2	177.1	-30.1	0	0	0	0	111.4	A1149 R1150 M1156 H1157	A1149-T1153 PolarHBondContact O-N 2.99Å; A1149-T1153 PolarHBondContact O-OG1 3.4Å; A1149-T1153 VanDerWaalsContact O-OG1 3.12Å; R1150-T1153 PolarHBondContact O-N 3.41Å; T1153-M1156 PolarHBondContact O-N 2.91Å; T1153-H1157 PolarHBondContact O-N 3.23Å; T1153-H1157 VanDerWaalsContact O-N 3.12Å
1154	I	39	Very low	38.3	Very low	117 Å²	117	93.8 Å²	93.8	60%	0.6	48%	0.482	S	S	*	.	H	α-helix	trans	-67.9	-45.8	178.4	-65.8	165.3	0	0	0	111.2	R1150 R1151 R1152 M1156 H1157 S1158	R1150-I1154 WeakPolarHBondContact O-CG1 3.02Å; R1150-I1154 PolarHBondContact O-N 3.11Å; R1150-I1154 VanDerWaalsContact O-N 3.13Å; R1151-I1154 PolarHBondContact O-N 3.31Å; R1152-I1154 VanDerWaalsContact C-N 3.29Å; R1152-I1154 PolarHBondContact O-N 2.85Å; I1154-M1156 VanDerWaalsContact C-N 3.25Å; I1154-M1156 PolarHBondContact O-N 3.48Å; I1154-H1157 PolarHBondContact O-N 3.18Å; I1154-S1158 WeakPolarHBondContact O-CB 3.48Å; I1154-S1158 PolarHBondContact O-N 2.88Å; I1154-S1158 VanDerWaalsContact O-N 3.08Å
1155	T	35.7	Very low	37	Very low	77 Å²	77	98 Å²	98	47%	0.472	51%	0.51	S	S	.	.	H	α-helix	trans	-67.6	-24.4	177.1	54	0	0	0	0	113.3	R1151 R1152	R1151-T1155 PolarHBondContact O-N 3.04Å; R1151-T1155 VanDerWaalsContact O-N 3.07Å; R1151-T1155 PolarHBondContact O-OG1 3.33Å; R1152-T1155 WeakPolarHBondContact CA-OG1 3.16Å; R1152-T1155 PolarHBondContact O-N 2.65Å; R1152-T1155 PolarHBondContact O-OG1 2.91Å; R1152-T1155 VanDerWaalsContact O-OG1 3.11Å
1156	M	31.8	Very low	36.2	Very low	138 Å²	138	104.7 Å²	104.7	68%	0.68	55%	0.551	S	S	*	*	H	α-helix	trans	-73.4	-38	171.7	-81.8	-113.9	55.7	0	0	113.4	R1152 T1153 I1154	R1152-M1156 WeakPolarHBondContact O-CB 3.33Å; R1152-M1156 WeakPolarHBondContact O-CG 3.25Å; R1152-M1156 PolarHBondContact O-N 3.28Å; T1153-M1156 PolarHBondContact O-N 2.91Å; I1154-M1156 VanDerWaalsContact C-N 3.25Å; I1154-M1156 PolarHBondContact O-N 3.48Å
1157	H	32.1	Very low	34.9	Very low	158 Å²	158	108.4 Å²	108.4	73%	0.731	57%	0.568	S	S	*	*	H	α-helix	trans	-81.1	-17.5	177.7	-76.9	16.5	0	0	0	113.8	T1153 I1154 K1159	T1153-H1157 PolarHBondContact O-N 3.23Å; T1153-H1157 VanDerWaalsContact O-N 3.12Å; I1154-H1157 PolarHBondContact O-N 3.18Å; H1157-K1159 PolarHBondContact O-N 3.45Å
1158	S	32	Very low	33.9	Very low	101 Å²	101	114.3 Å²	114.3	71%	0.706	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.1	7.4	179.8	-167.6	0	0	0	0	115.2	I1154	I1154-S1158 WeakPolarHBondContact O-CB 3.48Å; I1154-S1158 PolarHBondContact O-N 2.88Å; I1154-S1158 VanDerWaalsContact O-N 3.08Å
1159	K	31.6	Very low	32.8	Very low	183 Å²	183	120.4 Å²	120.4	80%	0.796	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.8	-1.2	-174.2	-108.3	179.2	178.4	176.9	0	116	H1157	H1157-K1159 PolarHBondContact O-N 3.45Å
1160	D	26.9	Very low	32.1	Very low	55 Å²	55	127.1 Å²	127.1	29%	0.294	66%	0.658	S	S	.	*	S	Bend	trans	-122.9	38.6	-171	-93.5	-29	0	0	0	113.6	N608 N610	N608-D1160 PolarHBondContact ND2-OD1 2.9Å; N608-D1160 VanDerWaalsContact ND2-OD1 3.14Å; N608-D1160 PolarHBondContact ND2-OD2 3.32Å; N610-D1160 WeakPolarHBondContact CB-OD1 3.49Å; N610-D1160 WeakPolarHBondContact ND2-CB 3.35Å; N610-D1160 PolarHBondContact ND2-O 3.28Å; N610-D1160 PolarHBondContact ND2-OD1 2.98Å
1161	N	26.3	Very low	31.1	Very low	143 Å²	143	124.6 Å²	124.6	77%	0.765	66%	0.661	S	S	*	*			trans	-165.2	101.8	160.7	-101.1	-25.2	0	0	0	112.6
1162	T	30.5	Very low	30	Very low	148 Å²	148	130.2 Å²	130.2	91%	0.908	68%	0.684	S	S	*	*			trans	179.5	117.6	143.9	14.1	0	0	0	0	109.5
1163	I	26	Very low	29	Very low	87 Å²	87	132.8 Å²	132.8	45%	0.446	71%	0.71	S	S	.	*			trans	-128.5	114.8	163.5	-66.2	172.8	0	0	0	105.6	S611 L612	S611-I1163 WeakPolarHBondContact O-CD1 3.48Å; L612-I1163 HydrophobicContact CB-CD1 4.3Å
1164	D	29.7	Very low	28.4	Very low	163 Å²	163	140 Å²	140	87%	0.872	74%	0.735	S	S	*	*			trans	-145.9	130	161.4	-111.6	-43.1	0	0	0	108.6
1165	T	23.5	Very low	27.5	Very low	126 Å²	126	142.8 Å²	142.8	77%	0.773	75%	0.746	S	S	*	*			trans	-106.7	111.8	-170	47.2	0	0	0	0	110.9
1166	T	30.9	Very low	26.9	Very low	142 Å²	142	147.2 Å²	147.2	87%	0.871	77%	0.766	S	S	*	*			trans	-128.6	123.2	162.4	48.2	0	0	0	0	110.7
1167	N	23.9	Very low	26.4	Very low	146 Å²	146	147 Å²	147	78%	0.781	76%	0.763	S	S	*	*			trans	-73.3	133.1	175.4	-77.4	-54.1	0	0	0	110.3
1168	H	29.7	Very low	26	Very low	189 Å²	189	149.8 Å²	149.8	88%	0.875	77%	0.769	S	S	*	*			trans	-141	98	142.6	-107.4	-57	0	0	0	111.2	N1170	H1168-N1170 PolarHBondContact O-N 3.49Å
1169	N	22.8	Very low	25.6	Very low	140 Å²	140	150.4 Å²	150.4	75%	0.749	76%	0.764	S	S	*	*			trans	-65	125.6	162.3	-72.5	-34.1	0	0	0	109
1170	N	27.9	Very low	25.1	Very low	157 Å²	157	148 Å²	148	84%	0.84	77%	0.765	S	S	*	*			trans	-156.5	114	137.2	-105.4	-26	0	0	0	111.7	H1168	H1168-N1170 PolarHBondContact O-N 3.49Å
1171	T	23.9	Very low	25	Very low	113 Å²	113	152.9 Å²	152.9	69%	0.693	79%	0.791	S	S	*	*			trans	-45.2	130.1	173.5	42.4	0	0	0	0	114.8
1172	Y	24.9	Very low	24.9	Very low	240 Å²	240	151.7 Å²	151.7	94%	0.941	79%	0.789	S	S	*	*			trans	-133.7	106.6	140.9	-104.7	-77	0	0	0	109.8
1173	S	20.7	Very low	24.7	Very low	103 Å²	103	152.6 Å²	152.6	72%	0.72	79%	0.787	S	S	*	*			trans	-82.1	126.2	-174.1	-50.8	0	0	0	0	112.2
1174	K	26.2	Very low	24.4	Very low	214 Å²	214	158 Å²	158	93%	0.93	80%	0.802	S	S	*	*			trans	-140.1	95.9	150.3	-91.3	-170.2	176	178.7	0	109.9
1175	Q	20.3	Very low	24.1	Very low	175 Å²	175	154.7 Å²	154.7	82%	0.818	79%	0.791	S	S	*	*			trans	-67.9	137.8	160.7	-67.4	166.2	-72.1	0	0	109
1176	L	24	Very low	24.2	Very low	170 Å²	170	153.3 Å²	153.3	89%	0.89	78%	0.782	S	S	*	*			trans	-141.4	118.4	149.9	-96.1	171.9	0	0	0	107.3
1177	H	21.1	Very low	23.8	Very low	134 Å²	134	154.4 Å²	154.4	62%	0.62	78%	0.783	S	S	*	*			trans	-63.9	152.2	162.1	-80.8	-116	0	0	0	109.2	D1179	H1177-D1179 IonicContact ND1-OD1 3.98Å
1178	Y	23.8	Very low	23.8	Very low	217 Å²	217	156.4 Å²	156.4	85%	0.851	78%	0.784	S	S	*	*				-159.6	153.7	109.3	-107	-65.7	0	0	0	112.1
1179	D	23.4	Very low	23.6	Very low	113 Å²	113	153.5 Å²	153.5	60%	0.604	78%	0.775	S	S	*	*			trans	-84.9	161.3	-155.3	-46.8	-68.6	0	0	0	114.9	H1177 N1181	H1177-D1179 IonicContact ND1-OD1 3.98Å; D1179-N1181 PolarHBondContact O-N 3.33Å
1180	T	21.5	Very low	23.7	Very low	134 Å²	134	156 Å²	156	82%	0.822	78%	0.779	S	S	*	*			trans	-55.5	126.1	159.4	49.3	0	0	0	0	110.9
1181	N	24.8	Very low	23.5	Very low	157 Å²	157	156.2 Å²	156.2	84%	0.84	78%	0.775	S	S	*	*			trans	-147.7	141.6	155.4	-118.8	-47.8	0	0	0	116.2	D1179	D1179-N1181 PolarHBondContact O-N 3.33Å
1182	T	23.6	Very low	23.6	Very low	118 Å²	118	156 Å²	156	72%	0.724	77%	0.774	S	S	*	*			trans	-78.9	119	-168	-61.8	0	0	0	0	112.1	R1184	T1182-R1184 HydrophobicContact CG2-CB 4.12Å; T1182-R1184 PolarHBondContact O-N 2.89Å
1183	L	25.4	Very low	23.7	Very low	167 Å²	167	150 Å²	150	87%	0.874	77%	0.767	S	S	*	*			trans	-90.6	87.3	165.6	-88.7	171.1	0	0	0	111.8	C1185	L1183-C1185 PolarHBondContact O-N 2.9Å
1184	R	21.1	Very low	24	Very low	200 Å²	200	150.4 Å²	150.4	76%	0.755	77%	0.77	S	S	*	*			trans	-91	89.4	172.7	-175.4	-176	-167.5	167.7	2.8	109.4	T1182 T1186	T1182-R1184 HydrophobicContact CG2-CB 4.12Å; T1182-R1184 PolarHBondContact O-N 2.89Å; R1184-T1186 PolarHBondContact O-N 2.83Å
1185	C	23.2	Very low	24.1	Very low	94 Å²	94	146 Å²	146	64%	0.635	77%	0.766	S	S	*	*			trans	-65.3	106	177.4	-68.3	0	0	0	0	111.7	L1183 R1399	L1183-C1185 PolarHBondContact O-N 2.9Å; C1185-R1399 PolarHBondContact O-NH1 3.44Å; C1185-R1399 VanDerWaalsContact O-NH1 3.14Å; C1185-R1399 PolarHBondContact O-NH2 3.34Å
1186	T	25.1	Very low	24.4	Very low	96 Å²	96	142.6 Å²	142.6	59%	0.589	76%	0.761	S	S	*	*			trans	-132.6	99.5	165.1	46.8	0	0	0	0	108.4	R1184 K1188	R1184-T1186 PolarHBondContact O-N 2.83Å; T1186-K1188 PolarHBondContact O-N 3.35Å; T1186-K1188 VanDerWaalsContact O-N 3.11Å
1187	N	22.7	Very low	24.7	Very low	165 Å²	165	140.8 Å²	140.8	88%	0.882	76%	0.76	S	S	*	*			trans	-66.4	107.8	171.3	-79.5	-15.3	0	0	0	109.7
1188	K	24.9	Very low	25	Very low	188 Å²	188	139.5 Å²	139.5	82%	0.817	77%	0.766	S	S	*	*			trans	-167.4	137.3	148.1	-111.1	169.3	-175.3	178.3	0	112.7	T1186	T1186-K1188 PolarHBondContact O-N 3.35Å; T1186-K1188 VanDerWaalsContact O-N 3.11Å
1189	L	23.7	Very low	25.6	Very low	129 Å²	129	135.4 Å²	135.4	68%	0.675	77%	0.766	S	S	*	*			trans	59.7	101.6	154	-54.1	169.5	0	0	0	117.4	E1191	L1189-E1191 HydrophobicContact CD2-CG 3.93Å
1190	K	25.4	Very low	25.8	Very low	192 Å²	192	135.7 Å²	135.7	84%	0.835	78%	0.776	S	S	*	*			trans	-115.9	82.8	135.8	-165.1	174.9	-172.8	179.1	0	108.7	T1192	K1190-T1192 HydrophobicContact CG-CG2 4.35Å; K1190-T1192 PolarHBondContact O-N 2.96Å
1191	E	23.3	Very low	26.3	Very low	161 Å²	161	133.4 Å²	133.4	75%	0.752	77%	0.771	S	S	*	*			trans	-70.2	116.7	167.6	-71.8	178.9	158.5	0	0	108.7	L1189	L1189-E1191 HydrophobicContact CD2-CG 3.93Å
1192	T	26.7	Very low	26.5	Very low	110 Å²	110	131.6 Å²	131.6	68%	0.675	77%	0.771	S	S	*	*			trans	-127.7	92.3	163.4	51.5	0	0	0	0	109.2	K1190	K1190-T1192 HydrophobicContact CG-CG2 4.35Å; K1190-T1192 PolarHBondContact O-N 2.96Å
1193	S	26.9	Very low	27	Very low	113 Å²	113	131.9 Å²	131.9	79%	0.79	78%	0.775	S	S	*	*			trans	-53	149.1	145.7	37.9	0	0	0	0	109.8
1194	S	27.5	Very low	27.3	Very low	112 Å²	112	129.1 Å²	129.1	78%	0.783	77%	0.77	S	S	*	*			cis	-165.9	132.7	-5.6	44.8	0	0	0	0	110.7
1195	S	28.2	Very low	27.8	Very low	122 Å²	122	124.4 Å²	124.4	85%	0.853	77%	0.767	S	S	*	*			trans	-155.5	99.4	159.6	58.1	0	0	0	0	110.5
1196	S	26.1	Very low	28.1	Very low	103 Å²	103	125 Å²	125	72%	0.72	77%	0.772	S	S	*	*			trans	-74.4	162.3	163.6	50.3	0	0	0	0	110.1
1197	P	31.2	Very low	28.5	Very low	132 Å²	132	126.3 Å²	126.3	86%	0.857	78%	0.782	S	S	*	*				-124.1	158.4	85.6	3.7	17.8	0	0	0	114.2
1198	S	26.8	Very low	28.6	Very low	107 Å²	107	123.6 Å²	123.6	75%	0.748	78%	0.776	S	S	*	*			trans	-92.6	165.2	-179.2	-57.3	0	0	0	0	112.7
1199	P	35.4	Very low	29.2	Very low	130 Å²	130	120 Å²	120	84%	0.844	77%	0.772	S	S	*	*			trans	-106.5	176.6	-158.8	41.2	-37.2	0	0	0	115.7
1200	S	29.2	Very low	29.4	Very low	119 Å²	119	119 Å²	119	83%	0.832	78%	0.776	S	S	*	*			trans	-156.5	153.4	161.8	60.3	0	0	0	0	114.1
1201	A	31.4	Very low	29.5	Very low	86 Å²	86	114.4 Å²	114.4	71%	0.711	77%	0.774	S	S	*	*			trans	71.6	72.4	160	0	0	0	0	0	121.1
1202	S	28.4	Very low	29.5	Very low	119 Å²	119	111.6 Å²	111.6	83%	0.832	78%	0.778	S	S	*	*				46.1	167.2	99.1	-27.8	0	0	0	0	121.4
1203	P	35.5	Very low	29.5	Very low	125 Å²	125	110.9 Å²	110.9	81%	0.812	78%	0.783	S	S	*	*				-139.7	172.4	-112.9	37.5	-14.7	0	0	0	118.5
1204	S	30.2	Very low	29.4	Very low	109 Å²	109	109.8 Å²	109.8	76%	0.762	78%	0.781	S	S	*	*			trans	-161.9	118.3	162.5	60.5	0	0	0	0	117.2
1205	S	32.4	Very low	29.3	Very low	100 Å²	100	110.9 Å²	110.9	70%	0.699	78%	0.784	S	S	*	*			trans	46.3	107.7	136.6	62.2	0	0	0	0	124.6
1206	S	28.4	Very low	29.2	Very low	107 Å²	107	109.9 Å²	109.9	75%	0.748	78%	0.783	S	S	*	*				21.3	158.4	112.7	61.8	0	0	0	0	123
1207	P	35.2	Very low	29.3	Very low	123 Å²	123	110.8 Å²	110.8	80%	0.799	79%	0.789	S	S	*	*			cis	-139.7	-163.1	-27.4	39.7	-18.8	0	0	0	114.6
1208	S	25	Very low	29	Very low	108 Å²	108	110.4 Å²	110.4	76%	0.755	79%	0.789	S	S	*	*			trans	-61.9	-179.4	177	-34.4	0	0	0	0	116
1209	P	37.2	Very low	29.1	Very low	112 Å²	112	111.2 Å²	111.2	73%	0.727	80%	0.795	S	S	*	*			cis	-145.4	173.4	9.6	43.6	-23.2	0	0	0	120.2
1210	S	26.6	Very low	28.6	Very low	109 Å²	109	110.8 Å²	110.8	76%	0.762	80%	0.795	S	S	*	*			trans	46.7	126.6	143.3	65.2	0	0	0	0	124.5
1211	A	27.3	Very low	28.3	Very low	96 Å²	96	111 Å²	111	79%	0.793	80%	0.796	S	S	*	*				150	125.3	103.4	0	0	0	0	0	117.9
1212	A	25	Very low	28	Very low	102 Å²	102	113 Å²	113	84%	0.843	81%	0.805	S	S	*	*			trans	67.8	152	141.3	0	0	0	0	0	125
1213	A	26.7	Very low	27.9	Very low	94 Å²	94	112.4 Å²	112.4	78%	0.777	80%	0.801	S	S	*	*			trans	60.5	108.4	168.2	0	0	0	0	0	118.4
1214	A	25	Very low	27.2	Very low	90 Å²	90	111.7 Å²	111.7	74%	0.744	80%	0.799	S	S	*	*				69.6	123.4	70.2	0	0	0	0	0	113.3
1215	T	24.7	Very low	27	Very low	136 Å²	136	112.1 Å²	112.1	83%	0.834	80%	0.802	S	S	*	*				-169.4	171.4	63.3	37.8	0	0	0	0	112.5
1216	A	25.8	Very low	26.5	Very low	101 Å²	101	114.2 Å²	114.2	84%	0.835	81%	0.811	S	S	*	*			trans	71.2	146.3	167.1	0	0	0	0	0	117.1
1217	S	28.6	Very low	26.4	Very low	122 Å²	122	114.3 Å²	114.3	85%	0.853	81%	0.812	S	S	*	*			cis	-143.8	156	-0.2	51.3	0	0	0	0	112
1218	S	24.7	Very low	25.8	Very low	123 Å²	123	114.6 Å²	114.6	86%	0.86	82%	0.816	S	S	*	*			trans	-134	144.1	164.3	55.8	0	0	0	0	109.6
1219	S	29.6	Very low	25.8	Very low	125 Å²	125	117.9 Å²	117.9	87%	0.874	82%	0.82	S	S	*	*			trans	-124.5	143.1	174.8	51	0	0	0	0	109.3
1220	S	24.4	Very low	25.2	Very low	121 Å²	121	118.9 Å²	118.9	85%	0.846	82%	0.819	S	S	*	*			trans	-123.2	132.4	-168.2	48.8	0	0	0	0	112.3
1221	S	23.4	Very low	25.1	Very low	122 Å²	122	120.8 Å²	120.8	85%	0.853	83%	0.826	S	S	*	*			trans	-163.5	98.3	163.7	52.1	0	0	0	0	112.8
1222	S	25	Very low	25.1	Very low	129 Å²	129	120.7 Å²	120.7	90%	0.902	82%	0.816	S	S	*	*			trans	-157.3	151.6	149.5	59.8	0	0	0	0	109.2
1223	S	24.4	Very low	25.1	Very low	106 Å²	106	121.7 Å²	121.7	74%	0.741	81%	0.807	S	S	*	*			trans	-128.5	144.8	-172.8	54.2	0	0	0	0	111.8
1224	S	21.8	Very low	25.1	Very low	111 Å²	111	122.7 Å²	122.7	78%	0.776	80%	0.803	S	S	*	*			trans	53	107.6	151.9	62.4	0	0	0	0	119.4
1225	S	26.9	Very low	25.5	Very low	118 Å²	118	122.6 Å²	122.6	83%	0.825	79%	0.789	S	S	*	*				-144.4	129.4	123.5	57.7	0	0	0	0	109.8
1226	T	22	Very low	25.7	Very low	143 Å²	143	120.3 Å²	120.3	88%	0.877	77%	0.772	S	S	*	*			trans	-101.8	121.8	-177.6	47.7	0	0	0	0	111
1227	S	25.5	Very low	25.8	Very low	110 Å²	110	122 Å²	122	77%	0.769	76%	0.762	S	S	*	*			trans	-149.7	111.9	166.6	54.9	0	0	0	0	110.2	Q1229	S1227-Q1229 PolarHBondContact O-N 2.99Å
1228	S	23.3	Very low	25.7	Very low	128 Å²	128	120.8 Å²	120.8	90%	0.895	75%	0.75	S	S	*	*			trans	-78.5	115.2	-176.5	-46.9	0	0	0	0	111.6
1229	Q	24.6	Very low	26	Very low	177 Å²	177	118 Å²	118	83%	0.827	73%	0.725	S	S	*	*			trans	-140.3	138.1	165.4	-69.5	-165.9	-51.1	0	0	111.5	S1227	S1227-Q1229 PolarHBondContact O-N 2.99Å
1230	N	24.8	Very low	25.9	Very low	133 Å²	133	118 Å²	118	71%	0.711	71%	0.711	S	S	*	*			trans	4.9	114.1	170	-55.5	-0.7	0	0	0	119	T1232	N1230-T1232 PolarHBondContact O-N 3.48Å
1231	V	24	Very low	26	Very low	150 Å²	150	118.1 Å²	118.1	91%	0.909	70%	0.698	S	S	*	*	S	Bend	trans	-92	79.7	164.5	-175.2	0	0	0	0	109.3
1232	T	26.4	Very low	26.2	Very low	94 Å²	94	115.2 Å²	115.2	58%	0.577	68%	0.678	S	S	*	*	S	Bend	trans	-137.7	-36.8	172.5	39.8	0	0	0	0	112.6	N1230 V1234	N1230-T1232 PolarHBondContact O-N 3.48Å; T1232-V1234 PolarHBondContact O-N 3.28Å
1233	D	24.9	Very low	26.4	Very low	123 Å²	123	111.9 Å²	111.9	66%	0.658	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.4	4.3	-157.2	-53.7	-1.3	0	0	0	114.5
1234	V	27.9	Very low	26.6	Very low	114 Å²	114	113.5 Å²	113.5	69%	0.691	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.6	-12.1	-171	-176.7	0	0	0	0	113.4	T1232	T1232-V1234 PolarHBondContact O-N 3.28Å
1235	I	33	Very low	26.7	Very low	89 Å²	89	114.9 Å²	114.9	46%	0.456	64%	0.64	S	S	.	*	S	Bend	trans	-90.2	-36.2	-172.4	-63	179.9	0	0	0	112.8	I871 I1239	I871-I1235 HydrophobicContact CD1-CD1 4.11Å; I1235-I1239 HydrophobicContact CG2-CD1 4.06Å
1236	D	28.4	Very low	26.8	Very low	88 Å²	88	113.8 Å²	113.8	47%	0.471	63%	0.633	S	S	.	*	H	α-helix	trans	-70.9	-39.5	-174.8	-85.6	-54.3	0	0	0	113.8	K1088 T1238 I1239 E1240	K1088-D1236 IonicContact NZ-OD1 3.86Å; K1088-D1236 PolarHBondContact NZ-OD1 3.29Å; D1236-T1238 VanDerWaalsContact C-N 3.28Å; D1236-T1238 PolarHBondContact O-N 3.24Å; D1236-I1239 PolarHBondContact O-N 3.49Å; D1236-E1240 PolarHBondContact O-N 2.95Å; D1236-E1240 VanDerWaalsContact O-N 3.09Å
1237	E	27.4	Very low	27.2	Very low	136 Å²	136	110.9 Å²	110.9	64%	0.636	61%	0.612	S	S	*	*	H	α-helix	trans	-59.8	-37.5	178.9	-70.4	-160.3	141.9	0	0	112.6	I1239 E1240 Q1241	E1237-I1239 VanDerWaalsContact C-N 3.31Å; E1237-I1239 PolarHBondContact O-N 2.97Å; E1237-E1240 PolarHBondContact O-N 2.91Å; E1237-Q1241 WeakPolarHBondContact O-CG 3.45Å; E1237-Q1241 PolarHBondContact O-N 3.49Å; E1237-Q1241 VanDerWaalsContact O-N 3.1Å
1238	T	27.1	Very low	27.6	Very low	96 Å²	96	111.6 Å²	111.6	59%	0.589	62%	0.617	S	S	*	*	H	α-helix	trans	-69.6	-30.1	-178.4	-51.1	0	0	0	0	112	D1236 S1242	D1236-T1238 VanDerWaalsContact C-N 3.28Å; D1236-T1238 PolarHBondContact O-N 3.24Å; T1238-S1242 WeakPolarHBondContact O-CB 3.47Å; T1238-S1242 PolarHBondContact O-N 3.05Å; T1238-S1242 PolarHBondContact O-OG 2.86Å
1239	I	30.7	Very low	28.6	Very low	66 Å²	66	111.7 Å²	111.7	34%	0.338	61%	0.607	S	S	.	*	H	α-helix	trans	-79.7	-39.5	177.8	-63.5	175	0	0	0	110.6	I1235 D1236 E1237 S1242 Y1243	I1235-I1239 HydrophobicContact CG2-CD1 4.06Å; D1236-I1239 PolarHBondContact O-N 3.49Å; E1237-I1239 VanDerWaalsContact C-N 3.31Å; E1237-I1239 PolarHBondContact O-N 2.97Å; I1239-S1242 PolarHBondContact O-OG 2.68Å; I1239-S1242 VanDerWaalsContact O-OG 3.1Å; I1239-Y1243 HydrophobicContact CG2-CD2 3.97Å; I1239-Y1243 HydrophobicContact CG2-CE2 4.25Å; I1239-Y1243 WeakPolarHBondContact O-CD2 3.35Å; I1239-Y1243 PolarHBondContact O-N 2.94Å; I1239-Y1243 VanDerWaalsContact O-N 3.15Å
1240	E	28.7	Very low	29.9	Very low	123 Å²	123	108.9 Å²	108.9	58%	0.575	59%	0.589	S	S	*	*	H	α-helix	trans	-66.7	-43.6	176.6	-65.9	-144.7	131.3	0	0	112.5	D1236 E1237 S1242 Y1243 Q1244	D1236-E1240 PolarHBondContact O-N 2.95Å; D1236-E1240 VanDerWaalsContact O-N 3.09Å; E1237-E1240 PolarHBondContact O-N 2.91Å; E1240-S1242 VanDerWaalsContact C-N 3.3Å; E1240-S1242 PolarHBondContact O-N 3.28Å; E1240-Y1243 PolarHBondContact O-N 3.27Å; E1240-Q1244 WeakPolarHBondContact O-CB 3.18Å; E1240-Q1244 WeakPolarHBondContact O-CG 3.25Å; E1240-Q1244 PolarHBondContact O-N 3.5Å
1241	Q	26.2	Very low	31.7	Very low	124 Å²	124	103.9 Å²	103.9	58%	0.579	56%	0.562	S	S	*	*	H	α-helix	trans	-68.6	-26.5	-178.3	-67.6	-179.7	35.7	0	0	113.4	E1237 N1245	E1237-Q1241 WeakPolarHBondContact O-CG 3.45Å; E1237-Q1241 PolarHBondContact O-N 3.49Å; E1237-Q1241 VanDerWaalsContact O-N 3.1Å; Q1241-N1245 PolarHBondContact O-ND2 3.44Å
1242	S	26.6	Very low	33.6	Very low	61 Å²	61	102.2 Å²	102.2	43%	0.427	55%	0.547	S	S	.	.	H	α-helix	trans	-81.8	-32.8	174.8	51.8	0	0	0	0	113.2	T1238 I1239 E1240	T1238-S1242 WeakPolarHBondContact O-CB 3.47Å; T1238-S1242 PolarHBondContact O-N 3.05Å; T1238-S1242 PolarHBondContact O-OG 2.86Å; I1239-S1242 PolarHBondContact O-OG 2.68Å; I1239-S1242 VanDerWaalsContact O-OG 3.1Å; E1240-S1242 VanDerWaalsContact C-N 3.3Å; E1240-S1242 PolarHBondContact O-N 3.28Å
1243	Y	30.9	Very low	35.5	Very low	60 Å²	60	97.8 Å²	97.8	24%	0.235	52%	0.52	C	S	.	.	H	α-helix	trans	-83.9	-24.9	177.7	-87.8	-86.6	0	0	0	115	G850 Y852 T853 I1239 E1240	G850-Y1243 VanDerWaalsContact C-OH 3.23Å; G850-Y1243 PolarHBondContact O-OH 2.76Å; Y852-Y1243 PolarHBondContact O-OH 3.44Å; T853-Y1243 HydrophobicContact CG2-CD1 4.27Å; T853-Y1243 HydrophobicContact CG2-CD2 4.18Å; T853-Y1243 HydrophobicContact CG2-CE1 3.74Å; T853-Y1243 HydrophobicContact CG2-CE2 3.65Å; T853-Y1243 HydrophobicContact CG2-CG 4.48Å; T853-Y1243 VanDerWaalsContact CG2-CZ 3.4Å; T853-Y1243 PolarHBondContact N-OH 3.03Å; I1239-Y1243 HydrophobicContact CG2-CD2 3.97Å; I1239-Y1243 HydrophobicContact CG2-CE2 4.25Å; I1239-Y1243 WeakPolarHBondContact O-CD2 3.35Å; I1239-Y1243 PolarHBondContact O-N 2.94Å; I1239-Y1243 VanDerWaalsContact O-N 3.15Å; E1240-Y1243 PolarHBondContact O-N 3.27Å
1244	Q	27	Very low	37.3	Very low	140 Å²	140	92.1 Å²	92.1	65%	0.654	49%	0.49	S	S	*	.	H	α-helix	trans	-76.6	-25.7	-178.7	-73.5	-173.2	29	0	0	114.4	E1240 S1246	E1240-Q1244 WeakPolarHBondContact O-CB 3.18Å; E1240-Q1244 WeakPolarHBondContact O-CG 3.25Å; E1240-Q1244 PolarHBondContact O-N 3.5Å; Q1244-S1246 PolarHBondContact O-N 3.29Å
1245	N	25.4	Very low	39.3	Very low	139 Å²	139	87.2 Å²	87.2	74%	0.743	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.8	-2.3	-169.3	-82.2	-61.7	0	0	0	116.2	Q1241	Q1241-N1245 PolarHBondContact O-ND2 3.44Å
1246	S	27.3	Very low	40.6	Very low	96 Å²	96	86.2 Å²	86.2	67%	0.671	45%	0.454	S	S	*	.	S	Bend	trans	-123.4	-5	-166.1	-56.7	0	0	0	0	116.7	Q1244	Q1244-S1246 PolarHBondContact O-N 3.29Å
1247	N	31.6	Very low	41.9	Very low	82 Å²	82	86.5 Å²	86.5	44%	0.439	45%	0.451	S	S	.	.			trans	-143.1	89.2	-177	-92.6	-51.6	0	0	0	112.9	N1249	N1247-N1249 PolarHBondContact O-N 2.85Å; N1247-N1249 VanDerWaalsContact O-N 3.12Å
1248	S	33.7	Very low	42.8	Very low	125 Å²	125	84.4 Å²	84.4	87%	0.874	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	0.3	-177.9	51.3	0	0	0	0	116
1249	N	43.8	Very low	43.7	Very low	129 Å²	129	82.9 Å²	82.9	69%	0.69	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.1	9.8	-176.3	-76.5	-24.6	0	0	0	114.2	N1247 I1251	N1247-N1249 PolarHBondContact O-N 2.85Å; N1247-N1249 VanDerWaalsContact O-N 3.12Å; N1249-I1251 PolarHBondContact O-N 3.3Å
1250	R	52.9	Low	44.2	Very low	119 Å²	119	87.1 Å²	87.1	45%	0.449	45%	0.454	S	S	.	.			trans	-64.6	129.8	-173.3	-157.5	177.1	-162	-176.5	3.5	111.9	I1252	R1250-I1252 PolarHBondContact O-N 3.2Å; R1250-I1252 VanDerWaalsContact O-N 3.15Å
1251	I	62.5	Low	44.6	Very low	27 Å²	27	88 Å²	88	14%	0.138	46%	0.463	C	S	.	.			trans	-69.1	111.8	176.3	-56.6	-179.9	0	0	0	109	N1249 V1335	N1249-I1251 PolarHBondContact O-N 3.3Å; I1251-V1335 VanDerWaalsContact CD1-C 3.42Å
1252	I	63.2	Low	45	Very low	115 Å²	115	84 Å²	84	59%	0.59	45%	0.449	S	S	*	.			trans	-65.2	141	173.3	-59.3	171.6	0	0	0	108.7	R1250	R1250-I1252 PolarHBondContact O-N 3.2Å; R1250-I1252 VanDerWaalsContact O-N 3.15Å
1253	S	67.5	Low	45.4	Very low	1 Å²	1	89.5 Å²	89.5	1%	0.007	47%	0.473	C	S	.	.			trans	-64.7	137.4	177.8	-164.6	0	0	0	0	111.7	Y1255 D1256 Y1337	S1253-Y1255 PolarHBondContact O-N 2.94Å; S1253-Y1255 WeakPolarHBondContact OG-CB 3.43Å; S1253-Y1255 VanDerWaalsContact OG-CD2 3.25Å; S1253-Y1255 WeakPolarHBondContact OG-CD2 3.43Å; S1253-Y1255 PolarHBondContact OG-N 3.41Å; S1253-D1256 WeakPolarHBondContact CB-OD2 3.39Å; S1253-Y1337 VanDerWaalsContact CB-CE2 3.42Å; S1253-Y1337 WeakPolarHBondContact OG-CD1 3.17Å; S1253-Y1337 WeakPolarHBondContact OG-CE1 3.49Å
1254	P	62.6	Low	45.5	Very low	5 Å²	5	94.9 Å²	94.9	3%	0.032	50%	0.501	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-19.1	163.5	28.4	-35	0	0	0	112.1	D792 L793 L1258 F1276	D792-P1254 HydrophobicContact CB-CB 4.21Å; L793-P1254 HydrophobicContact CD2-CG 4.15Å; P1254-L1258 WeakPolarHBondContact O-CD1 3.29Å; P1254-F1276 HydrophobicContact CB-CE2 4.06Å; P1254-F1276 HydrophobicContact CB-CZ 4.09Å; P1254-F1276 HydrophobicContact CG-CE2 4.13Å
1255	Y	69.4	Low	46.3	Very low	11 Å²	11	95.4 Å²	95.4	4%	0.043	51%	0.507	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82	-36.9	-178.3	-50.7	-53.9	0	0	0	112.7	S1253 K1257 L1258 L1259 I1272 R1273 F1276 Y1337 D1338	S1253-Y1255 PolarHBondContact O-N 2.94Å; S1253-Y1255 WeakPolarHBondContact OG-CB 3.43Å; S1253-Y1255 VanDerWaalsContact OG-CD2 3.25Å; S1253-Y1255 WeakPolarHBondContact OG-CD2 3.43Å; S1253-Y1255 PolarHBondContact OG-N 3.41Å; Y1255-K1257 PolarHBondContact O-N 3.25Å; Y1255-L1258 PolarHBondContact O-N 3.5Å; Y1255-L1259 WeakPolarHBondContact O-CG 3.4Å; Y1255-L1259 PolarHBondContact O-N 3.1Å; Y1255-I1272 HydrophobicContact CD1-CB 3.93Å; Y1255-I1272 HydrophobicContact CD1-CD1 4.01Å; Y1255-I1272 HydrophobicContact CD1-CG2 3.8Å; Y1255-I1272 HydrophobicContact CE1-CB 3.8Å; Y1255-I1272 HydrophobicContact CE1-CG2 3.63Å; Y1255-R1273 HydrophobicContact CE1-CG 4.32Å; Y1255-F1276 HydrophobicContact CD1-CE2 4.41Å; Y1255-F1276 AromaticContact CE1-CD2 3.91Å; Y1255-F1276 HydrophobicContact CE1-CD2 3.91Å; Y1255-F1276 AromaticContact CE1-CE2 3.55Å; Y1255-F1276 HydrophobicContact CE1-CE2 3.55Å; Y1255-Y1337 HydrophobicContact CD2-CD1 4.15Å; Y1255-Y1337 AromaticContact CD2-CE1 3.84Å; Y1255-Y1337 HydrophobicContact CD2-CE1 3.84Å; Y1255-Y1337 HydrophobicContact CE2-CD1 4.09Å; Y1255-Y1337 HydrophobicContact CE2-CE1 4.14Å; Y1255-D1338 HydrophobicContact CE2-CB 4.35Å; Y1255-D1338 PolarHBondContact OH-OD2 2.91Å
1256	D	60.9	Low	47.6	Very low	68 Å²	68	91 Å²	91	36%	0.364	49%	0.487	S	S	.	.	H	α-helix	trans	-59.8	-44.2	-178.2	-56.9	-24.8	0	0	0	111.7	S1253 L1258 L1259 L1260	S1253-D1256 WeakPolarHBondContact CB-OD2 3.39Å; D1256-L1258 PolarHBondContact O-N 3.38Å; D1256-L1259 PolarHBondContact O-N 3.06Å; D1256-L1260 WeakPolarHBondContact O-CB 3.46Å; D1256-L1260 WeakPolarHBondContact O-CG 3.49Å; D1256-L1260 PolarHBondContact O-N 3.28Å
1257	K	54	Low	49.3	Very low	93 Å²	93	91.8 Å²	91.8	40%	0.404	48%	0.483	S	S	.	.	H	α-helix	trans	-61.3	-29.1	175.9	-62.6	-177.4	-171.5	174.4	0	113.4	D792 Y1255 N1261	D792-K1257 VanDerWaalsContact CG-NZ 3.29Å; D792-K1257 IonicContact OD1-NZ 3.09Å; D792-K1257 PolarHBondContact OD1-NZ 3.47Å; D792-K1257 IonicContact OD2-NZ 2.75Å; D792-K1257 PolarHBondContact OD2-NZ 2.91Å; Y1255-K1257 PolarHBondContact O-N 3.25Å; K1257-N1261 PolarHBondContact O-ND2 2.59Å
1258	L	46	Very low	51.3	Low	93 Å²	93	91.2 Å²	91.2	49%	0.487	48%	0.484	S	S	.	.	H	α-helix	trans	-87.3	-32.9	-179.4	-68.7	170.8	0	0	0	111.7	P1254 Y1255 D1256 I1272	P1254-L1258 WeakPolarHBondContact O-CD1 3.29Å; Y1255-L1258 PolarHBondContact O-N 3.5Å; D1256-L1258 PolarHBondContact O-N 3.38Å; L1258-I1272 HydrophobicContact CB-CD1 4.21Å; L1258-I1272 HydrophobicContact CD1-CD1 3.96Å; L1258-I1272 HydrophobicContact CD1-CG2 3.73Å
1259	L	46.7	Very low	53.6	Low	64 Å²	64	85.5 Å²	85.5	34%	0.335	44%	0.444	S	S	.	.	H	α-helix	trans	-70.4	-46.6	174.2	-69.5	167	0	0	0	111.4	Y1255 D1256 N1261 S1262	Y1255-L1259 WeakPolarHBondContact O-CG 3.4Å; Y1255-L1259 PolarHBondContact O-N 3.1Å; D1256-L1259 PolarHBondContact O-N 3.06Å; L1259-N1261 VanDerWaalsContact C-N 3.28Å; L1259-N1261 PolarHBondContact O-N 3.03Å; L1259-S1262 PolarHBondContact O-N 2.85Å; L1259-S1262 VanDerWaalsContact O-N 3.15Å; L1259-S1262 PolarHBondContact O-OG 3.48Å
1260	L	41.8	Very low	55.6	Low	154 Å²	154	79.5 Å²	79.5	81%	0.806	41%	0.412	S	S	*	.	H	α-helix	trans	-63.6	-26.4	-178	-76.8	165.9	0	0	0	114.4	D1256 S1262	D1256-L1260 WeakPolarHBondContact O-CB 3.46Å; D1256-L1260 WeakPolarHBondContact O-CG 3.49Å; D1256-L1260 PolarHBondContact O-N 3.28Å; L1260-S1262 VanDerWaalsContact C-N 3.32Å; L1260-S1262 PolarHBondContact O-N 3.48Å
1261	N	37.3	Very low	57.1	Low	142 Å²	142	75.2 Å²	75.2	76%	0.759	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-1.8	178	-82.9	-49.8	0	0	0	114.1	K1257 L1259 N1263	K1257-N1261 PolarHBondContact O-ND2 2.59Å; L1259-N1261 VanDerWaalsContact C-N 3.28Å; L1259-N1261 PolarHBondContact O-N 3.03Å; N1261-N1263 PolarHBondContact O-N 2.93Å
1262	S	33.4	Very low	58.1	Low	39 Å²	39	74.7 Å²	74.7	27%	0.273	40%	0.395	S	S	.	.			trans	-96.4	66.8	-164.7	67.1	0	0	0	0	115.8	L1259 L1260 E1264	L1259-S1262 PolarHBondContact O-N 2.85Å; L1259-S1262 VanDerWaalsContact O-N 3.15Å; L1259-S1262 PolarHBondContact O-OG 3.48Å; L1260-S1262 VanDerWaalsContact C-N 3.32Å; L1260-S1262 PolarHBondContact O-N 3.48Å; S1262-E1264 PolarHBondContact O-N 2.78Å
1263	N	34.8	Very low	59.4	Low	177 Å²	177	69.8 Å²	69.8	95%	0.947	37%	0.369	S	S	*	.	S	Bend	trans	-70.6	-12.4	155.6	-95.5	-13.2	0	0	0	112.3	N1261	N1261-N1263 PolarHBondContact O-N 2.93Å
1264	E	34.6	Very low	60.5	Low	173 Å²	173	70.1 Å²	70.1	81%	0.808	37%	0.37	S	S	*	.	S	Bend	trans	-104.6	121.8	167.3	-64.5	-164.8	137.1	0	0	111.2	S1262 S1266	S1262-E1264 PolarHBondContact O-N 2.78Å; E1264-S1266 PolarHBondContact O-N 2.91Å; E1264-S1266 VanDerWaalsContact O-N 3.14Å
1265	L	43.1	Very low	61.6	Low	151 Å²	151	72.3 Å²	72.3	79%	0.791	39%	0.386	S	S	*	.			trans	27.8	69.1	159.7	-151.6	77.1	0	0	0	116.6	I1267	L1265-I1267 PolarHBondContact O-N 2.96Å
1266	S	53.3	Low	62.6	Low	47 Å²	47	72.3 Å²	72.3	33%	0.329	39%	0.386	S	S	.	.	P	Polyproline II helix	trans	-47.3	117.2	-171.4	61.5	0	0	0	0	114.7	K1098 E1264	K1098-S1266 PolarHBondContact NZ-OG 2.99Å; E1264-S1266 PolarHBondContact O-N 2.91Å; E1264-S1266 VanDerWaalsContact O-N 3.14Å
1267	I	61.7	Low	64.1	Low	112 Å²	112	69.1 Å²	69.1	57%	0.574	37%	0.369	S	S	*	.	P	Polyproline II helix	trans	-66.4	130.9	178.6	-58.8	172.8	0	0	0	110	L1265 D1271 I1272	L1265-I1267 PolarHBondContact O-N 2.96Å; I1267-D1271 HydrophobicContact CG2-CB 4.09Å; I1267-I1272 HydrophobicContact CG2-CG1 4.13Å
1268	P	74.7	Confident	65.8	Low	70 Å²	70	66.3 Å²	66.3	46%	0.455	36%	0.357	S	S	.	.	P	Polyproline II helix	trans	-61.1	138.6	176.8	-23	33.8	0	0	0	112.7	M1270 D1271	P1268-M1270 VanDerWaalsContact C-N 3.27Å; P1268-M1270 PolarHBondContact O-N 3.03Å; P1268-D1271 WeakPolarHBondContact O-CB 3.38Å; P1268-D1271 PolarHBondContact O-N 2.77Å
1269	C	82.3	Confident	67.8	Low	5 Å²	5	62.3 Å²	62.3	3%	0.034	34%	0.337	C	S	.	.	H	α-helix	trans	-54.3	-42.4	-177.3	-172.6	0	0	0	0	112.8	P1092 N1093 D1271 I1272 R1273	P1092-C1269 HydrophobicContact CB-CB 3.85Å; P1092-C1269 WeakPolarHBondContact O-CB 3.31Å; N1093-C1269 PolarHBondContact OD1-SG 3.14Å; C1269-D1271 PolarHBondContact O-N 3.45Å; C1269-D1271 VanDerWaalsContact O-N 3.14Å; C1269-I1272 CarbonylContact O-C 3.56Å; C1269-I1272 WeakPolarHBondContact O-CA 3.24Å; C1269-I1272 WeakPolarHBondContact O-CB 3.29Å; C1269-I1272 PolarHBondContact O-N 3.33Å; C1269-R1273 PolarHBondContact O-N 3.39Å
1270	M	85.3	Confident	69.9	Low	4 Å²	4	59.3 Å²	59.3	2%	0.02	32%	0.321	C	S	.	.	H	α-helix	trans	-55	-32.5	176.9	-69.8	-67.8	-71.9	0	0	113.3	N1093 P1268 I1272 R1273 F1274 Y1305 L1308 L1309	N1093-M1270 HydrophobicContact CB-CG 4.21Å; N1093-M1270 HydrophobicContact CB-SD 3.93Å; N1093-M1270 WeakPolarHBondContact O-CG 3.2Å; P1268-M1270 VanDerWaalsContact C-N 3.27Å; P1268-M1270 PolarHBondContact O-N 3.03Å; M1270-I1272 VanDerWaalsContact C-N 3.34Å; M1270-R1273 PolarHBondContact O-N 2.68Å; M1270-F1274 HydrophobicContact CB-CE2 4.12Å; M1270-F1274 HydrophobicContact CE-CE1 4.36Å; M1270-F1274 HydrophobicContact CE-CE2 4.46Å; M1270-F1274 HydrophobicContact CE-CZ 3.8Å; M1270-F1274 WeakPolarHBondContact O-CD2 3.21Å; M1270-F1274 VanDerWaalsContact O-CG 3.24Å; M1270-F1274 WeakPolarHBondContact O-CG 3.46Å; M1270-F1274 PolarHBondContact O-N 3.49Å; M1270-Y1305 HydrophobicContact CE-CD2 3.95Å; M1270-Y1305 HydrophobicContact CE-CE2 4.12Å; M1270-Y1305 HydrophobicContact CE-CG 4.12Å; M1270-Y1305 WeakPolarHBondContact CE-O 3.27Å; M1270-Y1305 HydrophobicContact CG-CE2 4.47Å; M1270-L1308 HydrophobicContact CE-CB 3.87Å; M1270-L1308 HydrophobicContact SD-CB 4.23Å; M1270-L1309 HydrophobicContact CE-CB 4.14Å
1271	D	84	Confident	72.4	Confident	29 Å²	29	52 Å²	52	16%	0.155	28%	0.283	C	S	.	.	H	α-helix	trans	-75.4	-28.1	178.4	-64	-18.3	0	0	0	111.7	R1152 I1267 P1268 C1269 S1275	R1152-D1271 IonicContact CZ-OD1 3.75Å; R1152-D1271 IonicContact CZ-OD2 2.7Å; R1152-D1271 IonicContact NE-OD1 3.9Å; R1152-D1271 IonicContact NE-OD2 3.65Å; R1152-D1271 PolarHBondContact NE-OD2 3.39Å; R1152-D1271 IonicContact NH1-OD1 3.37Å; R1152-D1271 IonicContact NH2-OD1 2.77Å; R1152-D1271 PolarHBondContact NH2-OD1 3.16Å; R1152-D1271 IonicContact NH2-OD2 2.69Å; R1152-D1271 PolarHBondContact NH2-OD2 3.34Å; I1267-D1271 HydrophobicContact CG2-CB 4.09Å; P1268-D1271 WeakPolarHBondContact O-CB 3.38Å; P1268-D1271 PolarHBondContact O-N 2.77Å; C1269-D1271 PolarHBondContact O-N 3.45Å; C1269-D1271 VanDerWaalsContact O-N 3.14Å; D1271-S1275 WeakPolarHBondContact O-CB 3.47Å; D1271-S1275 PolarHBondContact O-N 2.88Å
1272	I	84.4	Confident	74.8	Confident	16 Å²	16	47.8 Å²	47.8	8%	0.082	26%	0.259	C	S	.	.	H	α-helix	trans	-70.5	-44.9	169	-41.1	174.5	0	0	0	109.4	Y1255 L1258 I1267 C1269 M1270 F1274 S1275 F1276	Y1255-I1272 HydrophobicContact CD1-CB 3.93Å; Y1255-I1272 HydrophobicContact CD1-CD1 4.01Å; Y1255-I1272 HydrophobicContact CD1-CG2 3.8Å; Y1255-I1272 HydrophobicContact CE1-CB 3.8Å; Y1255-I1272 HydrophobicContact CE1-CG2 3.63Å; L1258-I1272 HydrophobicContact CB-CD1 4.21Å; L1258-I1272 HydrophobicContact CD1-CD1 3.96Å; L1258-I1272 HydrophobicContact CD1-CG2 3.73Å; I1267-I1272 HydrophobicContact CG2-CG1 4.13Å; C1269-I1272 CarbonylContact O-C 3.56Å; C1269-I1272 WeakPolarHBondContact O-CA 3.24Å; C1269-I1272 WeakPolarHBondContact O-CB 3.29Å; C1269-I1272 PolarHBondContact O-N 3.33Å; M1270-I1272 VanDerWaalsContact C-N 3.34Å; I1272-F1274 PolarHBondContact O-N 3.36Å; I1272-S1275 WeakPolarHBondContact O-CB 3.33Å; I1272-S1275 PolarHBondContact O-N 2.97Å; I1272-F1276 HydrophobicContact CG2-CD2 4.07Å; I1272-F1276 HydrophobicContact CG2-CE2 3.64Å; I1272-F1276 HydrophobicContact CG2-CZ 4.01Å; I1272-F1276 WeakPolarHBondContact O-CD2 3.16Å; I1272-F1276 WeakPolarHBondContact O-CG 3.35Å; I1272-F1276 PolarHBondContact O-N 3.11Å
1273	R	89.4	Confident	77.4	Confident	11 Å²	11	47.9 Å²	47.9	4%	0.042	26%	0.256	C	S	.	.	H	α-helix	trans	-57.9	-45.9	174.1	-59.5	-170.9	85.3	-179.2	1.1	111.8	N1093 Y1255 C1269 M1270 F1276 L1277 L1308 D1311 D1338 I1341	N1093-R1273 PolarHBondContact ND2-NH1 3.47Å; Y1255-R1273 HydrophobicContact CE1-CG 4.32Å; C1269-R1273 PolarHBondContact O-N 3.39Å; M1270-R1273 PolarHBondContact O-N 2.68Å; R1273-F1276 PolarHBondContact O-N 3.44Å; R1273-L1277 WeakPolarHBondContact O-CB 3.37Å; R1273-L1277 PolarHBondContact O-N 3.36Å; R1273-L1308 HydrophobicContact CB-CD1 4.18Å; R1273-L1308 PolarHBondContact NH1-O 2.78Å; R1273-D1311 IonicContact CZ-OD1 3.44Å; R1273-D1311 IonicContact NH1-OD1 3.21Å; R1273-D1311 PolarHBondContact NH1-OD1 3.32Å; R1273-D1311 IonicContact NH2-OD1 2.91Å; R1273-D1311 PolarHBondContact NH2-OD1 3.27Å; R1273-D1338 IonicContact CZ-OD1 3.22Å; R1273-D1338 IonicContact CZ-OD2 2.91Å; R1273-D1338 IonicContact NE-OD1 3.9Å; R1273-D1338 IonicContact NE-OD2 3.4Å; R1273-D1338 PolarHBondContact NE-OD2 2.94Å; R1273-D1338 IonicContact NH2-OD1 3.77Å; R1273-D1338 PolarHBondContact NH2-OD1 3.5Å; R1273-D1338 IonicContact NH2-OD2 3.64Å; R1273-D1338 PolarHBondContact NH2-OD2 3.47Å; R1273-I1341 HydrophobicContact CB-CG2 4.15Å
1274	F	90.3	Very high	80	Confident	8 Å²	8	41.1 Å²	41.1	4%	0.035	22%	0.218	C	C	.	.	H	α-helix	trans	-64.6	-41.7	174	-61.9	-43.7	0	0	0	112.7	M1270 I1272 F1276 L1277 Q1278 L1301 S1304 Y1305 L1308	M1270-F1274 HydrophobicContact CB-CE2 4.12Å; M1270-F1274 HydrophobicContact CE-CE1 4.36Å; M1270-F1274 HydrophobicContact CE-CE2 4.46Å; M1270-F1274 HydrophobicContact CE-CZ 3.8Å; M1270-F1274 WeakPolarHBondContact O-CD2 3.21Å; M1270-F1274 VanDerWaalsContact O-CG 3.24Å; M1270-F1274 WeakPolarHBondContact O-CG 3.46Å; M1270-F1274 PolarHBondContact O-N 3.49Å; I1272-F1274 PolarHBondContact O-N 3.36Å; F1274-F1276 VanDerWaalsContact C-N 3.26Å; F1274-F1276 PolarHBondContact O-N 3.15Å; F1274-L1277 PolarHBondContact O-N 3.49Å; F1274-Q1278 WeakPolarHBondContact O-CB 3.31Å; F1274-Q1278 PolarHBondContact O-N 3.3Å; F1274-L1301 HydrophobicContact CD1-CB 4.2Å; F1274-S1304 WeakPolarHBondContact CE1-OG 3.46Å; F1274-Y1305 AromaticContact CE2-CD2 3.84Å; F1274-Y1305 HydrophobicContact CE2-CD2 3.84Å; F1274-Y1305 AromaticContact CZ-CD2 3.57Å; F1274-Y1305 HydrophobicContact CZ-CD2 3.57Å; F1274-Y1305 HydrophobicContact CZ-CG 4.1Å; F1274-L1308 HydrophobicContact CD1-CD1 4.19Å; F1274-L1308 HydrophobicContact CE1-CD1 4.1Å
1275	S	86.2	Confident	82.7	Confident	51 Å²	51	33.2 Å²	33.2	36%	0.357	18%	0.181	S	C	.	.	H	α-helix	trans	-62.5	-33.8	177.5	-174.7	0	0	0	0	111.9	K789 D1271 I1272 S1279	K789-S1275 PolarHBondContact NZ-O 2.64Å; K789-S1275 PolarHBondContact NZ-OG 2.76Å; D1271-S1275 WeakPolarHBondContact O-CB 3.47Å; D1271-S1275 PolarHBondContact O-N 2.88Å; I1272-S1275 WeakPolarHBondContact O-CB 3.33Å; I1272-S1275 PolarHBondContact O-N 2.97Å; S1275-S1279 PolarHBondContact O-N 2.8Å; S1275-S1279 PolarHBondContact O-OG 3Å
1276	F	89.7	Confident	84.9	Confident	12 Å²	12	30 Å²	30	5%	0.053	17%	0.169	C	C	.	.	H	α-helix	trans	-73.2	-49.9	170.7	-70.1	-40.5	0	0	0	112.3	K789 L790 L793 P1254 Y1255 I1272 R1273 F1274 Q1278 S1279 L1280 I1341	K789-F1276 HydrophobicContact CG-CD1 4.45Å; K789-F1276 HydrophobicContact CG-CE1 4.16Å; K789-F1276 WeakPolarHBondContact O-CE1 3.49Å; L790-F1276 HydrophobicContact CD2-CD1 4.09Å; L793-F1276 HydrophobicContact CD1-CB 3.99Å; L793-F1276 HydrophobicContact CD1-CD1 3.72Å; L793-F1276 HydrophobicContact CD1-CD2 4.06Å; L793-F1276 HydrophobicContact CD1-CE1 4.13Å; L793-F1276 HydrophobicContact CD1-CE2 4.41Å; L793-F1276 HydrophobicContact CD1-CG 3.69Å; L793-F1276 HydrophobicContact CD1-CZ 4.46Å; L793-F1276 HydrophobicContact CD2-CD2 3.98Å; L793-F1276 HydrophobicContact CD2-CE2 4.1Å; L793-F1276 HydrophobicContact CD2-CG 4.44Å; L793-F1276 HydrophobicContact CG-CD1 4.46Å; L793-F1276 HydrophobicContact CG-CD2 4.26Å; L793-F1276 HydrophobicContact CG-CE1 4.46Å; L793-F1276 HydrophobicContact CG-CE2 4.24Å; L793-F1276 HydrophobicContact CG-CG 4.37Å; L793-F1276 HydrophobicContact CG-CZ 4.36Å; P1254-F1276 HydrophobicContact CB-CE2 4.06Å; P1254-F1276 HydrophobicContact CB-CZ 4.09Å; P1254-F1276 HydrophobicContact CG-CE2 4.13Å; Y1255-F1276 HydrophobicContact CD1-CE2 4.41Å; Y1255-F1276 AromaticContact CE1-CD2 3.91Å; Y1255-F1276 HydrophobicContact CE1-CD2 3.91Å; Y1255-F1276 AromaticContact CE1-CE2 3.55Å; Y1255-F1276 HydrophobicContact CE1-CE2 3.55Å; I1272-F1276 HydrophobicContact CG2-CD2 4.07Å; I1272-F1276 HydrophobicContact CG2-CE2 3.64Å; I1272-F1276 HydrophobicContact CG2-CZ 4.01Å; I1272-F1276 WeakPolarHBondContact O-CD2 3.16Å; I1272-F1276 WeakPolarHBondContact O-CG 3.35Å; I1272-F1276 PolarHBondContact O-N 3.11Å; R1273-F1276 PolarHBondContact O-N 3.44Å; F1274-F1276 VanDerWaalsContact C-N 3.26Å; F1274-F1276 PolarHBondContact O-N 3.15Å; F1276-Q1278 VanDerWaalsContact C-N 3.33Å; F1276-Q1278 PolarHBondContact O-N 2.65Å; F1276-S1279 CarbonylContact O-C 3.55Å; F1276-S1279 WeakPolarHBondContact O-CA 3.35Å; F1276-S1279 WeakPolarHBondContact O-CB 3.39Å; F1276-S1279 PolarHBondContact O-N 2.91Å; F1276-L1280 WeakPolarHBondContact O-CG 3.2Å; F1276-L1280 PolarHBondContact O-N 3.16Å; F1276-I1341 HydrophobicContact CB-CD1 3.69Å; F1276-I1341 HydrophobicContact CG-CD1 4.49Å
1277	L	92.6	Very high	86.7	Confident	0 Å²	0	33 Å²	33	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-56	-45	178.3	-179.2	59.8	0	0	0	112.1	R1273 F1274 S1279 L1280 I1281 L1301 L1308 I1341 A1344 L1345 I1348	R1273-L1277 WeakPolarHBondContact O-CB 3.37Å; R1273-L1277 PolarHBondContact O-N 3.36Å; F1274-L1277 PolarHBondContact O-N 3.49Å; L1277-S1279 PolarHBondContact O-N 2.84Å; L1277-L1280 PolarHBondContact O-N 3.12Å; L1277-L1280 VanDerWaalsContact O-N 3.16Å; L1277-I1281 HydrophobicContact CD1-CD1 4.37Å; L1277-I1281 HydrophobicContact CD1-CG1 4.4Å; L1277-I1281 HydrophobicContact CG-CD1 4.14Å; L1277-I1281 WeakPolarHBondContact O-CG1 3.47Å; L1277-I1281 PolarHBondContact O-N 3.34Å; L1277-L1301 HydrophobicContact CB-CD1 3.96Å; L1277-L1301 HydrophobicContact CD2-CD1 3.65Å; L1277-L1301 HydrophobicContact CG-CD1 3.55Å; L1277-L1308 HydrophobicContact CD2-CD1 4.33Å; L1277-I1341 WeakPolarHBondContact CD1-O 3.26Å; L1277-A1344 HydrophobicContact CD1-CB 3.95Å; L1277-A1344 HydrophobicContact CD2-CB 3.8Å; L1277-L1345 HydrophobicContact CD1-CB 4.08Å; L1277-I1348 HydrophobicContact CD2-CD1 4.38Å
1278	Q	90.3	Very high	88.2	Confident	35 Å²	35	27.7 Å²	27.7	16%	0.164	15%	0.151	C	C	.	.	H	α-helix	trans	-60.3	-34.5	174.2	-168.3	69.6	42.8	0	0	112.4	F1274 F1276 E1282 N1289 G1299 L1301	F1274-Q1278 WeakPolarHBondContact O-CB 3.31Å; F1274-Q1278 PolarHBondContact O-N 3.3Å; F1276-Q1278 VanDerWaalsContact C-N 3.33Å; F1276-Q1278 PolarHBondContact O-N 2.65Å; Q1278-E1282 WeakPolarHBondContact O-CB 3.38Å; Q1278-E1282 PolarHBondContact O-N 3.38Å; Q1278-N1289 PolarHBondContact NE2-OD1 3.16Å; Q1278-G1299 PolarHBondContact OE1-O 3.08Å; Q1278-L1301 HydrophobicContact CB-CD1 4.2Å; Q1278-L1301 VanDerWaalsContact OE1-CD2 3.29Å; Q1278-L1301 VanDerWaalsContact OE1-CG 3.3Å
1279	S	88.4	Confident	89	Confident	9 Å²	9	25.3 Å²	25.3	6%	0.063	13%	0.134	C	C	.	.	H	α-helix	trans	-75.7	-29.4	177.9	-53.1	0	0	0	0	112.8	K789 S1275 F1276 L1277 I1283	K789-S1279 PolarHBondContact NZ-OG 3.46Å; S1275-S1279 PolarHBondContact O-N 2.8Å; S1275-S1279 PolarHBondContact O-OG 3Å; F1276-S1279 CarbonylContact O-C 3.55Å; F1276-S1279 WeakPolarHBondContact O-CA 3.35Å; F1276-S1279 WeakPolarHBondContact O-CB 3.39Å; F1276-S1279 PolarHBondContact O-N 2.91Å; L1277-S1279 PolarHBondContact O-N 2.84Å; S1279-I1283 PolarHBondContact O-N 3.37Å
1280	L	91.5	Very high	89.4	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-71.1	-50.4	173.1	-68.5	173.9	0	0	0	110.5	L790 F1276 L1277 E1282 I1283 F1284 I1341 F1342 L1345 L1392	L790-L1280 HydrophobicContact CD1-CD2 3.89Å; L790-L1280 HydrophobicContact CD2-CD2 4.34Å; F1276-L1280 WeakPolarHBondContact O-CG 3.2Å; F1276-L1280 PolarHBondContact O-N 3.16Å; L1277-L1280 PolarHBondContact O-N 3.12Å; L1277-L1280 VanDerWaalsContact O-N 3.16Å; L1280-E1282 PolarHBondContact O-N 3.11Å; L1280-I1283 PolarHBondContact O-N 3.29Å; L1280-F1284 HydrophobicContact CB-CD2 4.49Å; L1280-F1284 HydrophobicContact CD2-CE2 4.14Å; L1280-F1284 WeakPolarHBondContact O-CD2 3.48Å; L1280-F1284 PolarHBondContact O-N 3.48Å; L1280-I1341 HydrophobicContact CD1-CB 4.34Å; L1280-I1341 HydrophobicContact CD1-CD1 3.72Å; L1280-I1341 HydrophobicContact CD1-CG1 3.96Å; L1280-F1342 HydrophobicContact CD1-CD1 4.36Å; L1280-F1342 HydrophobicContact CD1-CE1 4.14Å; L1280-F1342 HydrophobicContact CD1-CZ 4.24Å; L1280-F1342 HydrophobicContact CD2-CE1 4.02Å; L1280-F1342 HydrophobicContact CD2-CZ 4.28Å; L1280-L1345 HydrophobicContact CB-CD2 4.13Å; L1280-L1392 HydrophobicContact CD2-CD2 3.7Å
1281	I	92.2	Very high	89.6	Confident	1 Å²	1	31.8 Å²	31.8	1%	0.005	16%	0.164	C	C	.	.	H	α-helix	trans	-56.2	-42.7	173.5	-56.5	162.6	0	0	0	109.3	L1277 I1283 F1284 D1285 M1288 N1289 L1292 L1301 L1345 I1348	L1277-I1281 HydrophobicContact CD1-CD1 4.37Å; L1277-I1281 HydrophobicContact CD1-CG1 4.4Å; L1277-I1281 HydrophobicContact CG-CD1 4.14Å; L1277-I1281 WeakPolarHBondContact O-CG1 3.47Å; L1277-I1281 PolarHBondContact O-N 3.34Å; I1281-I1283 VanDerWaalsContact C-N 3.26Å; I1281-I1283 PolarHBondContact O-N 2.84Å; I1281-F1284 PolarHBondContact O-N 3.25Å; I1281-D1285 CarbonylContact O-C 3.5Å; I1281-D1285 WeakPolarHBondContact O-CA 3.22Å; I1281-D1285 PolarHBondContact O-N 2.99Å; I1281-M1288 HydrophobicContact CG2-CB 4.26Å; I1281-M1288 HydrophobicContact CG2-CG 4.16Å; I1281-N1289 HydrophobicContact CG2-CB 4.07Å; I1281-L1292 HydrophobicContact CD1-CD1 4.13Å; I1281-L1301 HydrophobicContact CD1-CD1 3.75Å; I1281-L1301 HydrophobicContact CD1-CD2 4.33Å; I1281-L1345 HydrophobicContact CB-CD1 4.26Å; I1281-L1345 HydrophobicContact CG1-CD1 3.53Å; I1281-I1348 HydrophobicContact CD1-CD1 3.76Å
1282	E	89.4	Confident	89.9	Confident	53 Å²	53	30.6 Å²	30.6	25%	0.248	16%	0.158	C	C	.	.	H	α-helix	trans	-62.3	-24.5	178.1	176.9	156.2	-98.8	0	0	115.6	K782 Q1278 L1280 N1289	K782-E1282 WeakPolarHBondContact CE-OE1 3.28Å; K782-E1282 WeakPolarHBondContact CE-OE2 3.5Å; K782-E1282 IonicContact NZ-OE1 2.76Å; K782-E1282 PolarHBondContact NZ-OE1 3.48Å; K782-E1282 IonicContact NZ-OE2 3.91Å; K782-E1282 PolarHBondContact NZ-OE2 2.85Å; K782-E1282 VanDerWaalsContact NZ-OE2 3.17Å; Q1278-E1282 WeakPolarHBondContact O-CB 3.38Å; Q1278-E1282 PolarHBondContact O-N 3.38Å; L1280-E1282 PolarHBondContact O-N 3.11Å; E1282-N1289 HydrophobicContact CB-CB 4.47Å; E1282-N1289 WeakPolarHBondContact CB-ND2 3.47Å; E1282-N1289 VanDerWaalsContact CG-ND2 3.34Å; E1282-N1289 WeakPolarHBondContact CG-ND2 3.21Å; E1282-N1289 PolarHBondContact OE1-ND2 3.23Å
1283	I	87	Confident	90.1	Very high	41 Å²	41	33 Å²	33	21%	0.21	18%	0.18	C	C	.	.	H	α-helix	trans	-87.5	-54.4	172.7	-75.6	-179.5	0	0	0	111.1	V786 L790 S1279 L1280 I1281 L1395	V786-I1283 HydrophobicContact CB-CD1 3.96Å; V786-I1283 HydrophobicContact CB-CG1 4.49Å; V786-I1283 HydrophobicContact CG1-CD1 3.46Å; V786-I1283 VanDerWaalsContact CG1-CD1 3.46Å; V786-I1283 HydrophobicContact CG1-CG1 4.06Å; L790-I1283 HydrophobicContact CD1-CD1 3.76Å; S1279-I1283 PolarHBondContact O-N 3.37Å; L1280-I1283 PolarHBondContact O-N 3.29Å; I1281-I1283 VanDerWaalsContact C-N 3.26Å; I1281-I1283 PolarHBondContact O-N 2.84Å; I1283-L1395 HydrophobicContact CG2-CD1 3.94Å
1284	F	90.4	Very high	90	Very high	36 Å²	36	39.1 Å²	39.1	16%	0.158	21%	0.207	C	C	.	.	H	α-helix	trans	-77.5	-37.1	-169.3	-72.7	-68.4	0	0	0	112.4	L1280 I1281 L1345 F1388 Q1391 L1392 L1395	L1280-F1284 HydrophobicContact CB-CD2 4.49Å; L1280-F1284 HydrophobicContact CD2-CE2 4.14Å; L1280-F1284 WeakPolarHBondContact O-CD2 3.48Å; L1280-F1284 PolarHBondContact O-N 3.48Å; I1281-F1284 PolarHBondContact O-N 3.25Å; F1284-L1345 HydrophobicContact CB-CD2 4.37Å; F1284-L1345 HydrophobicContact CD2-CD2 3.69Å; F1284-L1345 HydrophobicContact CE2-CD2 4.36Å; F1284-L1345 HydrophobicContact CG-CD2 4.23Å; F1284-F1388 HydrophobicContact CB-CD1 4.34Å; F1284-F1388 HydrophobicContact CB-CE1 3.87Å; F1284-F1388 AromaticContact CD1-CD1 3.66Å; F1284-F1388 HydrophobicContact CD1-CD1 3.66Å; F1284-F1388 AromaticContact CD1-CE1 3.84Å; F1284-F1388 HydrophobicContact CD1-CE1 3.84Å; F1284-F1388 HydrophobicContact CD2-CD1 4.12Å; F1284-F1388 HydrophobicContact CD2-CE1 4.49Å; F1284-F1388 AromaticContact CE1-CD1 3.93Å; F1284-F1388 HydrophobicContact CE1-CD1 3.93Å; F1284-F1388 HydrophobicContact CE2-CD1 4.36Å; F1284-F1388 AromaticContact CG-CD1 3.77Å; F1284-F1388 HydrophobicContact CG-CD1 3.77Å; F1284-F1388 AromaticContact CG-CE1 3.81Å; F1284-F1388 HydrophobicContact CG-CE1 3.81Å; F1284-F1388 HydrophobicContact CZ-CD1 4.27Å; F1284-Q1391 HydrophobicContact CE1-CB 3.67Å; F1284-Q1391 HydrophobicContact CZ-CB 4.08Å; F1284-L1392 HydrophobicContact CE2-CB 4.46Å; F1284-L1392 HydrophobicContact CZ-CB 4.06Å; F1284-L1395 HydrophobicContact CE1-CD1 4.18Å; F1284-L1395 HydrophobicContact CZ-CD1 4.23Å
1285	D	90.7	Very high	89.7	Confident	6 Å²	6	41 Å²	41	3%	0.032	22%	0.215	C	C	.	.			trans	-135.1	85.1	175.9	-170.7	-5.2	0	0	0	113.3	I1281 E1287 M1288 N1289 R1352	I1281-D1285 CarbonylContact O-C 3.5Å; I1281-D1285 WeakPolarHBondContact O-CA 3.22Å; I1281-D1285 PolarHBondContact O-N 2.99Å; D1285-E1287 PolarHBondContact O-N 3.49Å; D1285-E1287 VanDerWaalsContact O-N 3.14Å; D1285-E1287 WeakPolarHBondContact OD1-CA 3.49Å; D1285-E1287 PolarHBondContact OD1-N 2.97Å; D1285-M1288 HydrophobicContact CB-CB 4.08Å; D1285-M1288 VanDerWaalsContact CG-CB 3.41Å; D1285-M1288 VanDerWaalsContact CG-N 3.33Å; D1285-M1288 PolarHBondContact O-N 3.33Å; D1285-M1288 PolarHBondContact OD1-N 3.11Å; D1285-M1288 WeakPolarHBondContact OD2-CB 3.5Å; D1285-M1288 PolarHBondContact OD2-N 2.96Å; D1285-N1289 VanDerWaalsContact O-CB 3.29Å; D1285-N1289 WeakPolarHBondContact O-CB 3.37Å; D1285-N1289 PolarHBondContact O-N 2.71Å; D1285-R1352 VanDerWaalsContact CG-NH2 3.32Å; D1285-R1352 IonicContact OD1-CZ 2.69Å; D1285-R1352 IonicContact OD1-NE 3.94Å; D1285-R1352 IonicContact OD1-NH2 2.87Å; D1285-R1352 PolarHBondContact OD1-NH2 2.88Å; D1285-R1352 IonicContact OD2-CZ 3.23Å; D1285-R1352 VanDerWaalsContact OD2-CZ 3.25Å; D1285-R1352 IonicContact OD2-NE 2.7Å; D1285-R1352 PolarHBondContact OD2-NE 3.36Å; D1285-R1352 IonicContact OD2-NH2 3.05Å; D1285-R1352 PolarHBondContact OD2-NH2 3.2Å; D1285-R1352 VanDerWaalsContact OD2-NH2 3.09Å
1286	P	89.9	Confident	89.3	Confident	83 Å²	83	38.8 Å²	38.8	54%	0.539	20%	0.199	S	C	.	.	H	α-helix	trans	-60.2	-20.1	174.9	-24.6	35.4	0	0	0	114.8	H1290	P1286-H1290 WeakPolarHBondContact O-CB 3.27Å; P1286-H1290 PolarHBondContact O-N 3.01Å; P1286-H1290 VanDerWaalsContact O-N 3.14Å
1287	E	91.4	Very high	88.2	Confident	110 Å²	110	42.8 Å²	42.8	51%	0.514	23%	0.226	S	C	.	.	H	α-helix	trans	-87.6	-44.7	-178.9	176.4	-178.8	-124.2	0	0	111.5	D1285 N1289 H1290 H1291 R1352 I1356	D1285-E1287 PolarHBondContact O-N 3.49Å; D1285-E1287 VanDerWaalsContact O-N 3.14Å; D1285-E1287 WeakPolarHBondContact OD1-CA 3.49Å; D1285-E1287 PolarHBondContact OD1-N 2.97Å; E1287-N1289 VanDerWaalsContact C-N 3.29Å; E1287-N1289 PolarHBondContact O-N 3.43Å; E1287-H1290 CarbonylContact O-C 3.59Å; E1287-H1290 WeakPolarHBondContact O-CB 3.5Å; E1287-H1290 PolarHBondContact O-N 3.48Å; E1287-H1290 VanDerWaalsContact O-N 3.1Å; E1287-H1291 WeakPolarHBondContact O-CB 3.35Å; E1287-H1291 PolarHBondContact O-N 3.47Å; E1287-R1352 IonicContact OE2-CZ 3.6Å; E1287-R1352 IonicContact OE2-NH1 3.64Å; E1287-R1352 PolarHBondContact OE2-NH1 2.9Å; E1287-R1352 IonicContact OE2-NH2 3.26Å; E1287-R1352 PolarHBondContact OE2-NH2 3.2Å; E1287-I1356 HydrophobicContact CG-CD1 4.27Å
1288	M	92.6	Very high	86.9	Confident	2 Å²	2	49 Å²	49	1%	0.01	26%	0.255	C	S	.	.	H	α-helix	trans	-61.6	-39.8	167.6	179.8	66	106	0	0	110.7	I1281 D1285 H1290 H1291 L1292 I1348 R1352 I1355 I1356	I1281-M1288 HydrophobicContact CG2-CB 4.26Å; I1281-M1288 HydrophobicContact CG2-CG 4.16Å; D1285-M1288 HydrophobicContact CB-CB 4.08Å; D1285-M1288 VanDerWaalsContact CG-CB 3.41Å; D1285-M1288 VanDerWaalsContact CG-N 3.33Å; D1285-M1288 PolarHBondContact O-N 3.33Å; D1285-M1288 PolarHBondContact OD1-N 3.11Å; D1285-M1288 WeakPolarHBondContact OD2-CB 3.5Å; D1285-M1288 PolarHBondContact OD2-N 2.96Å; M1288-H1290 VanDerWaalsContact C-N 3.28Å; M1288-H1290 PolarHBondContact O-N 3.27Å; M1288-H1291 PolarHBondContact O-N 2.87Å; M1288-L1292 HydrophobicContact CG-CD1 3.73Å; M1288-L1292 HydrophobicContact CG-CG 4.02Å; M1288-L1292 WeakPolarHBondContact O-CB 3.25Å; M1288-L1292 VanDerWaalsContact O-CG 3.3Å; M1288-L1292 WeakPolarHBondContact O-CG 3.43Å; M1288-L1292 PolarHBondContact O-N 2.83Å; M1288-L1292 HydrophobicContact SD-CD1 4.12Å; M1288-L1292 HydrophobicContact SD-CD2 4.25Å; M1288-L1292 HydrophobicContact SD-CG 3.87Å; M1288-I1348 HydrophobicContact CE-CG2 3.81Å; M1288-I1348 HydrophobicContact CG-CG2 4.01Å; M1288-R1352 HydrophobicContact CE-CB 4.49Å; M1288-I1355 HydrophobicContact CE-CB 3.88Å; M1288-I1355 HydrophobicContact CE-CD1 3.88Å; M1288-I1355 HydrophobicContact CE-CG1 4.5Å; M1288-I1355 HydrophobicContact CE-CG2 3.7Å; M1288-I1355 HydrophobicContact SD-CG2 4.03Å; M1288-I1356 HydrophobicContact CB-CD1 4.26Å; M1288-I1356 HydrophobicContact SD-CD1 4.45Å; M1288-I1356 HydrophobicContact SD-CG1 4.19Å
1289	N	90.7	Very high	85.4	Confident	19 Å²	19	48.9 Å²	48.9	10%	0.102	26%	0.264	C	S	.	.	H	α-helix	trans	-56.3	-42.6	171.6	-177.9	41.9	0	0	0	111.6	Q1278 I1281 E1282 D1285 E1287 A1293	Q1278-N1289 PolarHBondContact NE2-OD1 3.16Å; I1281-N1289 HydrophobicContact CG2-CB 4.07Å; E1282-N1289 HydrophobicContact CB-CB 4.47Å; E1282-N1289 WeakPolarHBondContact CB-ND2 3.47Å; E1282-N1289 VanDerWaalsContact CG-ND2 3.34Å; E1282-N1289 WeakPolarHBondContact CG-ND2 3.21Å; E1282-N1289 PolarHBondContact OE1-ND2 3.23Å; D1285-N1289 VanDerWaalsContact O-CB 3.29Å; D1285-N1289 WeakPolarHBondContact O-CB 3.37Å; D1285-N1289 PolarHBondContact O-N 2.71Å; E1287-N1289 VanDerWaalsContact C-N 3.29Å; E1287-N1289 PolarHBondContact O-N 3.43Å; N1289-A1293 WeakPolarHBondContact O-CB 3.36Å; N1289-A1293 PolarHBondContact O-N 2.94Å
1290	H	90.3	Very high	84.4	Confident	128 Å²	128	50.2 Å²	50.2	59%	0.593	27%	0.269	S	S	*	.	H	α-helix	trans	-68.3	-39.6	175.7	-176	67.6	0	0	0	112.9	P1286 E1287 M1288 K1294	P1286-H1290 WeakPolarHBondContact O-CB 3.27Å; P1286-H1290 PolarHBondContact O-N 3.01Å; P1286-H1290 VanDerWaalsContact O-N 3.14Å; E1287-H1290 CarbonylContact O-C 3.59Å; E1287-H1290 WeakPolarHBondContact O-CB 3.5Å; E1287-H1290 PolarHBondContact O-N 3.48Å; E1287-H1290 VanDerWaalsContact O-N 3.1Å; M1288-H1290 VanDerWaalsContact C-N 3.28Å; M1288-H1290 PolarHBondContact O-N 3.27Å; H1290-K1294 VanDerWaalsContact O-CB 3.26Å; H1290-K1294 WeakPolarHBondContact O-CB 3.44Å; H1290-K1294 PolarHBondContact O-N 3.31Å; H1290-K1294 VanDerWaalsContact O-N 3.13Å
1291	H	91	Very high	84.1	Confident	18 Å²	18	50.2 Å²	50.2	8%	0.083	27%	0.269	C	S	.	.	H	α-helix	trans	-62.7	-52	176.4	-179.1	67.9	0	0	0	111.1	E1287 M1288 K1294 K1295 I1356 N1359 M1360	E1287-H1291 WeakPolarHBondContact O-CB 3.35Å; E1287-H1291 PolarHBondContact O-N 3.47Å; M1288-H1291 PolarHBondContact O-N 2.87Å; H1291-K1294 WeakPolarHBondContact O-CB 3.31Å; H1291-K1294 PolarHBondContact O-N 3.48Å; H1291-K1294 VanDerWaalsContact O-N 3.12Å; H1291-K1295 WeakPolarHBondContact O-CB 3.21Å; H1291-K1295 PolarHBondContact O-N 2.85Å; H1291-I1356 HydrophobicContact CB-CG1 4.47Å; H1291-N1359 PolarHBondContact CE1-OD1 3.01Å; H1291-N1359 WeakPolarHBondContact NE2-CA 3.3Å; H1291-N1359 WeakPolarHBondContact NE2-CB 3.49Å; H1291-N1359 VanDerWaalsContact NE2-CG 3.25Å; H1291-N1359 PolarHBondContact NE2-O 2.78Å; H1291-N1359 PolarHBondContact NE2-OD1 3.01Å; H1291-M1360 PolarHBondContact NE2-N 3.39Å; H1291-M1360 VanDerWaalsContact NE2-N 3.14Å; H1291-M1360 PolarHBondContact NE2-O 2.97Å
1292	L	90.4	Very high	83.7	Confident	4 Å²	4	52 Å²	52	2%	0.021	28%	0.278	C	S	.	.	H	α-helix	trans	-60.7	-47.5	176.3	-65.8	173.5	0	0	0	111.1	I1281 M1288 K1294 K1295 V1296 L1301 F1303 I1365	I1281-L1292 HydrophobicContact CD1-CD1 4.13Å; M1288-L1292 HydrophobicContact CG-CD1 3.73Å; M1288-L1292 HydrophobicContact CG-CG 4.02Å; M1288-L1292 WeakPolarHBondContact O-CB 3.25Å; M1288-L1292 VanDerWaalsContact O-CG 3.3Å; M1288-L1292 WeakPolarHBondContact O-CG 3.43Å; M1288-L1292 PolarHBondContact O-N 2.83Å; M1288-L1292 HydrophobicContact SD-CD1 4.12Å; M1288-L1292 HydrophobicContact SD-CD2 4.25Å; M1288-L1292 HydrophobicContact SD-CG 3.87Å; L1292-K1294 PolarHBondContact O-N 3.41Å; L1292-K1295 PolarHBondContact O-N 3.46Å; L1292-V1296 HydrophobicContact CB-CG2 4.27Å; L1292-V1296 HydrophobicContact CD2-CG2 3.83Å; L1292-V1296 WeakPolarHBondContact O-CA 3.46Å; L1292-V1296 VanDerWaalsContact O-CB 3.28Å; L1292-V1296 WeakPolarHBondContact O-CB 3.49Å; L1292-V1296 PolarHBondContact O-N 2.86Å; L1292-L1301 HydrophobicContact CD1-CD2 4Å; L1292-F1303 HydrophobicContact CD2-CE1 4.21Å; L1292-F1303 HydrophobicContact CD2-CZ 4.36Å; L1292-I1365 HydrophobicContact CD2-CD1 3.84Å
1293	A	87.6	Confident	83.6	Confident	66 Å²	66	50.3 Å²	50.3	55%	0.545	27%	0.27	S	S	.	.	H	α-helix	trans	-61.8	-18.3	177.1	0	0	0	0	0	114.2	N1289	N1289-A1293 WeakPolarHBondContact O-CB 3.36Å; N1289-A1293 PolarHBondContact O-N 2.94Å
1294	K	87.3	Confident	83.8	Confident	140 Å²	140	48.4 Å²	48.4	61%	0.609	26%	0.26	S	S	*	.	H	α-helix	trans	-94.7	-25.2	175.6	-179.4	-176.3	175	-169.8	0	113.3	H1290 H1291 L1292	H1290-K1294 VanDerWaalsContact O-CB 3.26Å; H1290-K1294 WeakPolarHBondContact O-CB 3.44Å; H1290-K1294 PolarHBondContact O-N 3.31Å; H1290-K1294 VanDerWaalsContact O-N 3.13Å; H1291-K1294 WeakPolarHBondContact O-CB 3.31Å; H1291-K1294 PolarHBondContact O-N 3.48Å; H1291-K1294 VanDerWaalsContact O-N 3.12Å; L1292-K1294 PolarHBondContact O-N 3.41Å
1295	K	84.9	Confident	83.8	Confident	48 Å²	48	47.1 Å²	47.1	21%	0.209	25%	0.254	C	S	.	.	H	α-helix	trans	-114.8	-16.3	-171.9	-71.7	-57.5	-143.1	82.4	0	115.5	H1291 L1292 N1359 M1360	H1291-K1295 WeakPolarHBondContact O-CB 3.21Å; H1291-K1295 PolarHBondContact O-N 2.85Å; L1292-K1295 PolarHBondContact O-N 3.46Å; K1295-N1359 WeakPolarHBondContact CE-O 3.46Å; K1295-N1359 WeakPolarHBondContact CE-OD1 3.39Å; K1295-N1359 PolarHBondContact NZ-O 3.03Å; K1295-M1360 WeakPolarHBondContact CG-O 3.43Å; K1295-M1360 PolarHBondContact NZ-O 3.18Å
1296	V	77.5	Confident	83.8	Confident	4 Å²	4	48.6 Å²	48.6	2%	0.024	26%	0.259	C	S	.	.	S	Bend	trans	-111.7	102.9	178.3	-178.6	0	0	0	0	107.9	L1292 G1299 Q1300 I1362	L1292-V1296 HydrophobicContact CB-CG2 4.27Å; L1292-V1296 HydrophobicContact CD2-CG2 3.83Å; L1292-V1296 WeakPolarHBondContact O-CA 3.46Å; L1292-V1296 VanDerWaalsContact O-CB 3.28Å; L1292-V1296 WeakPolarHBondContact O-CB 3.49Å; L1292-V1296 PolarHBondContact O-N 2.86Å; V1296-G1299 PolarHBondContact O-N 2.78Å; V1296-Q1300 WeakPolarHBondContact CG1-O 3.33Å; V1296-I1362 HydrophobicContact CG1-CD1 3.78Å; V1296-I1362 HydrophobicContact CG1-CG1 4.33Å; V1296-I1362 HydrophobicContact CG2-CB 4.21Å; V1296-I1362 HydrophobicContact CG2-CG1 4.31Å
1297	P	66.3	Low	84	Confident	95 Å²	95	44.8 Å²	44.8	62%	0.617	23%	0.234	S	C	*	.	G	3₁₀ helix	trans	-54	145.9	172.8	-25.5	35.3	0	0	0	111.7	G1299	P1297-G1299 PolarHBondContact O-N 3.43Å
1298	E	64.4	Low	84.1	Confident	131 Å²	131	39.5 Å²	39.5	61%	0.612	21%	0.21	S	C	*	.	G	3₁₀ helix	trans	62.1	-2	-178.3	-48.1	-176.1	-173.9	0	0	116.8	Q1300	E1298-Q1300 VanDerWaalsContact CB-NE2 3.33Å; E1298-Q1300 PolarHBondContact O-N 3.48Å; E1298-Q1300 VanDerWaalsContact O-N 3.12Å; E1298-Q1300 PolarHBondContact OE2-NE2 3.02Å
1299	G	59.9	Low	84.1	Confident	33 Å²	33	39.4 Å²	39.4	34%	0.34	21%	0.209	S	C	.	.	G	3₁₀ helix	trans	62.8	17.2	177.3	0	0	0	0	0	114.7	Q1278 V1296 P1297	Q1278-G1299 PolarHBondContact OE1-O 3.08Å; V1296-G1299 PolarHBondContact O-N 2.78Å; P1297-G1299 PolarHBondContact O-N 3.43Å
1300	Q	67.5	Low	84.1	Confident	36 Å²	36	38.5 Å²	38.5	17%	0.168	20%	0.204	C	C	.	.			trans	-91.8	120.9	177	-72.1	161.5	61.6	0	0	108.8	V1296 E1298 L1302	V1296-Q1300 WeakPolarHBondContact CG1-O 3.33Å; E1298-Q1300 VanDerWaalsContact CB-NE2 3.33Å; E1298-Q1300 PolarHBondContact O-N 3.48Å; E1298-Q1300 VanDerWaalsContact O-N 3.12Å; E1298-Q1300 PolarHBondContact OE2-NE2 3.02Å; Q1300-L1302 HydrophobicContact CB-CD1 4.44Å; Q1300-L1302 HydrophobicContact CB-CD2 4.3Å; Q1300-L1302 HydrophobicContact CB-CG 3.97Å; Q1300-L1302 PolarHBondContact O-N 2.75Å
1301	L	84.8	Confident	84.3	Confident	1 Å²	1	33 Å²	33	1%	0.005	18%	0.179	C	C	.	.			trans	-76.5	49.5	-174.9	-60.3	170.6	0	0	0	112.5	F1274 L1277 Q1278 I1281 L1292 F1303 S1304	F1274-L1301 HydrophobicContact CD1-CB 4.2Å; L1277-L1301 HydrophobicContact CB-CD1 3.96Å; L1277-L1301 HydrophobicContact CD2-CD1 3.65Å; L1277-L1301 HydrophobicContact CG-CD1 3.55Å; Q1278-L1301 HydrophobicContact CB-CD1 4.2Å; Q1278-L1301 VanDerWaalsContact OE1-CD2 3.29Å; Q1278-L1301 VanDerWaalsContact OE1-CG 3.3Å; I1281-L1301 HydrophobicContact CD1-CD1 3.75Å; I1281-L1301 HydrophobicContact CD1-CD2 4.33Å; L1292-L1301 HydrophobicContact CD1-CD2 4Å; L1301-F1303 HydrophobicContact CB-CE1 4.26Å; L1301-F1303 HydrophobicContact CB-CZ 4.42Å; L1301-F1303 HydrophobicContact CD2-CE1 3.66Å; L1301-F1303 HydrophobicContact CD2-CZ 3.75Å; L1301-F1303 PolarHBondContact O-N 3.08Å; L1301-S1304 PolarHBondContact O-N 2.98Å; L1301-S1304 PolarHBondContact O-OG 2.84Å
1302	L	83	Confident	84.5	Confident	37 Å²	37	32.1 Å²	32.1	19%	0.194	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-59.9	-20.8	-170.8	-64.1	172.9	0	0	0	113.8	A1149 Q1300 S1304 Y1305	A1149-L1302 HydrophobicContact CB-CD1 4.42Å; Q1300-L1302 HydrophobicContact CB-CD1 4.44Å; Q1300-L1302 HydrophobicContact CB-CD2 4.3Å; Q1300-L1302 HydrophobicContact CB-CG 3.97Å; Q1300-L1302 PolarHBondContact O-N 2.75Å; L1302-S1304 VanDerWaalsContact C-N 3.27Å; L1302-S1304 PolarHBondContact O-N 3.2Å; L1302-Y1305 WeakPolarHBondContact O-CB 3.39Å; L1302-Y1305 PolarHBondContact O-N 2.79Å; L1302-Y1305 VanDerWaalsContact O-N 3.17Å
1303	F	88	Confident	84.6	Confident	19 Å²	19	32.1 Å²	32.1	8%	0.083	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-62.2	-34	170.8	61.6	-96.1	0	0	0	112.5	L1292 L1301 Y1305 W1307 I1348 I1365 I1366	L1292-F1303 HydrophobicContact CD2-CE1 4.21Å; L1292-F1303 HydrophobicContact CD2-CZ 4.36Å; L1301-F1303 HydrophobicContact CB-CE1 4.26Å; L1301-F1303 HydrophobicContact CB-CZ 4.42Å; L1301-F1303 HydrophobicContact CD2-CE1 3.66Å; L1301-F1303 HydrophobicContact CD2-CZ 3.75Å; L1301-F1303 PolarHBondContact O-N 3.08Å; F1303-Y1305 VanDerWaalsContact C-N 3.3Å; F1303-Y1305 PolarHBondContact O-N 3.06Å; F1303-W1307 AromaticContact CD2-CH2 3.78Å; F1303-W1307 HydrophobicContact CD2-CH2 3.78Å; F1303-W1307 HydrophobicContact CD2-CZ2 4.2Å; F1303-W1307 HydrophobicContact CD2-CZ3 4.23Å; F1303-W1307 AromaticContact CE2-CH2 3.87Å; F1303-W1307 HydrophobicContact CE2-CH2 3.87Å; F1303-W1307 HydrophobicContact CE2-CZ3 4.09Å; F1303-I1348 HydrophobicContact CE2-CD1 3.98Å; F1303-I1348 HydrophobicContact CE2-CG1 4.2Å; F1303-I1348 HydrophobicContact CZ-CD1 4.13Å; F1303-I1365 HydrophobicContact CB-CG2 4.38Å; F1303-I1365 HydrophobicContact CD1-CG2 4.19Å; F1303-I1365 HydrophobicContact CD2-CG2 4.04Å; F1303-I1365 HydrophobicContact CE1-CG2 4.46Å; F1303-I1365 HydrophobicContact CE2-CG2 4.32Å; F1303-I1365 HydrophobicContact CG-CG2 3.97Å; F1303-I1366 HydrophobicContact CB-CD1 4.31Å; F1303-I1366 HydrophobicContact CB-CG1 3.55Å
1304	S	92	Very high	84.9	Confident	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-82.8	1.6	175.2	70.6	0	0	0	0	114.3	F1274 L1301 L1302 R1306 W1307 L1308	F1274-S1304 WeakPolarHBondContact CE1-OG 3.46Å; L1301-S1304 PolarHBondContact O-N 2.98Å; L1301-S1304 PolarHBondContact O-OG 2.84Å; L1302-S1304 VanDerWaalsContact C-N 3.27Å; L1302-S1304 PolarHBondContact O-N 3.2Å; S1304-R1306 VanDerWaalsContact C-N 3.32Å; S1304-R1306 PolarHBondContact O-N 3.39Å; S1304-W1307 WeakPolarHBondContact O-CB 3.29Å; S1304-W1307 PolarHBondContact O-N 3.04Å; S1304-W1307 VanDerWaalsContact O-N 3.12Å; S1304-L1308 PolarHBondContact O-N 3.39Å; S1304-L1308 VanDerWaalsContact O-N 3.08Å
1305	Y	90.5	Very high	85.1	Confident	9 Å²	9	24.1 Å²	24.1	4%	0.035	13%	0.127	C	C	.	.	H	α-helix	trans	-60	-40.7	-179.9	-173	-79.7	0	0	0	112.1	A1145 M1270 F1274 L1302 F1303 W1307 L1309	A1145-Y1305 HydrophobicContact CB-CD1 3.99Å; A1145-Y1305 HydrophobicContact CB-CD2 3.96Å; A1145-Y1305 HydrophobicContact CB-CE1 4.4Å; A1145-Y1305 HydrophobicContact CB-CE2 4.43Å; A1145-Y1305 HydrophobicContact CB-CG 3.78Å; M1270-Y1305 HydrophobicContact CE-CD2 3.95Å; M1270-Y1305 HydrophobicContact CE-CE2 4.12Å; M1270-Y1305 HydrophobicContact CE-CG 4.12Å; M1270-Y1305 WeakPolarHBondContact CE-O 3.27Å; M1270-Y1305 HydrophobicContact CG-CE2 4.47Å; F1274-Y1305 AromaticContact CE2-CD2 3.84Å; F1274-Y1305 HydrophobicContact CE2-CD2 3.84Å; F1274-Y1305 AromaticContact CZ-CD2 3.57Å; F1274-Y1305 HydrophobicContact CZ-CD2 3.57Å; F1274-Y1305 HydrophobicContact CZ-CG 4.1Å; L1302-Y1305 WeakPolarHBondContact O-CB 3.39Å; L1302-Y1305 PolarHBondContact O-N 2.79Å; L1302-Y1305 VanDerWaalsContact O-N 3.17Å; F1303-Y1305 VanDerWaalsContact C-N 3.3Å; F1303-Y1305 PolarHBondContact O-N 3.06Å; Y1305-W1307 VanDerWaalsContact C-N 3.33Å; Y1305-L1309 HydrophobicContact CE1-CD2 3.95Å; Y1305-L1309 VanDerWaalsContact O-CB 3.23Å; Y1305-L1309 WeakPolarHBondContact O-CB 3.44Å; Y1305-L1309 PolarHBondContact O-N 3.5Å; Y1305-L1309 VanDerWaalsContact O-N 3.11Å
1306	R	90.3	Very high	85.6	Confident	37 Å²	37	22 Å²	22	14%	0.14	12%	0.118	C	C	.	.	H	α-helix	trans	-66.2	-37.2	176.5	-172.7	173.5	74.3	-161.6	7.1	111.9	L1141 S1304 L1310 R1314 E1315 N1370 T1373	L1141-R1306 HydrophobicContact CD1-CG 4.26Å; S1304-R1306 VanDerWaalsContact C-N 3.32Å; S1304-R1306 PolarHBondContact O-N 3.39Å; R1306-L1310 HydrophobicContact CG-CD1 4.31Å; R1306-L1310 PolarHBondContact O-N 3.46Å; R1306-R1314 HydrophobicContact CG-CB 3.92Å; R1306-R1314 HydrophobicContact CG-CG 4.41Å; R1306-E1315 IonicContact CZ-OE1 3.39Å; R1306-E1315 IonicContact CZ-OE2 2.7Å; R1306-E1315 IonicContact NE-OE1 2.85Å; R1306-E1315 PolarHBondContact NE-OE1 3.08Å; R1306-E1315 IonicContact NE-OE2 2.74Å; R1306-E1315 VanDerWaalsContact NH2-CD 3.33Å; R1306-E1315 IonicContact NH2-OE1 2.67Å; R1306-E1315 PolarHBondContact NH2-OE1 3.41Å; R1306-E1315 IonicContact NH2-OE2 3.38Å; R1306-E1315 PolarHBondContact NH2-OE2 3.17Å; R1306-N1370 PolarHBondContact NH1-OD1 3.4Å; R1306-T1373 PolarHBondContact NH2-OG1 3.12Å
1307	W	94.4	Very high	86.2	Confident	3 Å²	3	26.1 Å²	26.1	1%	0.011	14%	0.137	C	C	.	.	H	α-helix	trans	-63.7	-54.5	-178.8	-53.8	-11.4	0	0	0	111.2	F1303 S1304 Y1305 D1311 F1312 E1315 A1344 L1347 I1348 Y1369	F1303-W1307 AromaticContact CD2-CH2 3.78Å; F1303-W1307 HydrophobicContact CD2-CH2 3.78Å; F1303-W1307 HydrophobicContact CD2-CZ2 4.2Å; F1303-W1307 HydrophobicContact CD2-CZ3 4.23Å; F1303-W1307 AromaticContact CE2-CH2 3.87Å; F1303-W1307 HydrophobicContact CE2-CH2 3.87Å; F1303-W1307 HydrophobicContact CE2-CZ3 4.09Å; S1304-W1307 WeakPolarHBondContact O-CB 3.29Å; S1304-W1307 PolarHBondContact O-N 3.04Å; S1304-W1307 VanDerWaalsContact O-N 3.12Å; Y1305-W1307 VanDerWaalsContact C-N 3.33Å; W1307-D1311 CarbonylContact O-C 3.58Å; W1307-D1311 WeakPolarHBondContact O-CA 3.4Å; W1307-D1311 PolarHBondContact O-N 3.28Å; W1307-F1312 HydrophobicContact CB-CD1 3.83Å; W1307-F1312 HydrophobicContact CB-CE1 3.55Å; W1307-F1312 HydrophobicContact CB-CZ 4Å; W1307-F1312 HydrophobicContact CD2-CE1 4.17Å; W1307-F1312 HydrophobicContact CE3-CE1 4.14Å; W1307-F1312 HydrophobicContact CG-CD1 4.17Å; W1307-F1312 AromaticContact CG-CE1 3.96Å; W1307-F1312 HydrophobicContact CG-CE1 3.96Å; W1307-F1312 PolarHBondContact O-N 3.34Å; W1307-E1315 VanDerWaalsContact CD1-CG 3.41Å; W1307-E1315 VanDerWaalsContact CD1-OE1 3.31Å; W1307-E1315 HydrophobicContact CG-CG 4.23Å; W1307-E1315 VanDerWaalsContact NE1-CD 3.31Å; W1307-E1315 PolarHBondContact NE1-OE2 2.85Å; W1307-E1315 VanDerWaalsContact NE1-OE2 3.12Å; W1307-A1344 HydrophobicContact CE3-CB 4.18Å; W1307-L1347 HydrophobicContact CD2-CD2 3.92Å; W1307-L1347 HydrophobicContact CE3-CD2 3.95Å; W1307-L1347 HydrophobicContact CH2-CD2 3.84Å; W1307-L1347 HydrophobicContact CH2-CG 4.27Å; W1307-L1347 HydrophobicContact CZ2-CD2 3.79Å; W1307-L1347 HydrophobicContact CZ3-CB 4.46Å; W1307-L1347 HydrophobicContact CZ3-CD2 3.91Å; W1307-L1347 HydrophobicContact CZ3-CG 4.42Å; W1307-I1348 HydrophobicContact CH2-CG1 4.4Å; W1307-I1348 HydrophobicContact CZ3-CD1 4.39Å; W1307-I1348 HydrophobicContact CZ3-CG1 4.11Å; W1307-Y1369 HydrophobicContact CH2-CD1 4.14Å; W1307-Y1369 HydrophobicContact CH2-CD2 4Å; W1307-Y1369 AromaticContact CH2-CE1 3.95Å; W1307-Y1369 HydrophobicContact CH2-CE1 3.95Å; W1307-Y1369 AromaticContact CH2-CE2 3.8Å; W1307-Y1369 HydrophobicContact CH2-CE2 3.8Å; W1307-Y1369 HydrophobicContact CH2-CG 4.18Å; W1307-Y1369 AromaticContact CH2-CZ 3.76Å; W1307-Y1369 AromaticContact CZ2-CD1 3.69Å; W1307-Y1369 HydrophobicContact CZ2-CD1 3.69Å; W1307-Y1369 AromaticContact CZ2-CD2 3.75Å; W1307-Y1369 HydrophobicContact CZ2-CD2 3.75Å; W1307-Y1369 AromaticContact CZ2-CE1 3.98Å; W1307-Y1369 HydrophobicContact CZ2-CE1 3.98Å; W1307-Y1369 HydrophobicContact CZ2-CE2 4.04Å; W1307-Y1369 AromaticContact CZ2-CG 3.57Å; W1307-Y1369 HydrophobicContact CZ2-CG 3.57Å
1308	L	93.1	Very high	87.4	Confident	0 Å²	0	22.5 Å²	22.5	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-80.5	-15.8	-174.9	-61.5	173.8	0	0	0	113.4	M1270 R1273 F1274 L1277 S1304 F1312 I1341 A1344	M1270-L1308 HydrophobicContact CE-CB 3.87Å; M1270-L1308 HydrophobicContact SD-CB 4.23Å; R1273-L1308 HydrophobicContact CB-CD1 4.18Å; R1273-L1308 PolarHBondContact NH1-O 2.78Å; F1274-L1308 HydrophobicContact CD1-CD1 4.19Å; F1274-L1308 HydrophobicContact CE1-CD1 4.1Å; L1277-L1308 HydrophobicContact CD2-CD1 4.33Å; S1304-L1308 PolarHBondContact O-N 3.39Å; S1304-L1308 VanDerWaalsContact O-N 3.08Å; L1308-F1312 HydrophobicContact CD2-CZ 4.41Å; L1308-I1341 HydrophobicContact CD1-CG2 4.17Å; L1308-I1341 HydrophobicContact CD2-CG2 4.01Å; L1308-A1344 HydrophobicContact CD2-CB 4.19Å
1309	L	91.6	Very high	88.6	Confident	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-78.9	-34.9	172.5	-173.4	72.1	0	0	0	112.2	M1090 N1093 F1094 L1141 M1270 Y1305	M1090-L1309 WeakPolarHBondContact CE-O 3.39Å; N1093-L1309 HydrophobicContact CB-CD1 4.14Å; N1093-L1309 WeakPolarHBondContact O-CD1 3.39Å; F1094-L1309 HydrophobicContact CD1-CD1 3.77Å; F1094-L1309 HydrophobicContact CD1-CD2 4.48Å; F1094-L1309 HydrophobicContact CD1-CG 4.39Å; F1094-L1309 HydrophobicContact CE1-CD1 3.88Å; F1094-L1309 HydrophobicContact CE1-CD2 4.21Å; F1094-L1309 HydrophobicContact CE1-CG 4.05Å; F1094-L1309 HydrophobicContact CG-CD1 4.25Å; F1094-L1309 HydrophobicContact CZ-CD1 4.43Å; L1141-L1309 HydrophobicContact CD2-CD2 3.65Å; M1270-L1309 HydrophobicContact CE-CB 4.14Å; Y1305-L1309 HydrophobicContact CE1-CD2 3.95Å; Y1305-L1309 VanDerWaalsContact O-CB 3.23Å; Y1305-L1309 WeakPolarHBondContact O-CB 3.44Å; Y1305-L1309 PolarHBondContact O-N 3.5Å; Y1305-L1309 VanDerWaalsContact O-N 3.11Å
1310	L	92.3	Very high	90.1	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.4	16.2	-171	-54.8	178.7	0	0	0	112.8	D1064 L1065 L1141 R1306 F1312 K1313 R1314	D1064-L1310 HydrophobicContact CB-CD1 4.42Å; L1065-L1310 HydrophobicContact CG-CD2 4.39Å; L1141-L1310 HydrophobicContact CD1-CD1 3.89Å; R1306-L1310 HydrophobicContact CG-CD1 4.31Å; R1306-L1310 PolarHBondContact O-N 3.46Å; L1310-F1312 VanDerWaalsContact C-N 3.29Å; L1310-F1312 PolarHBondContact O-N 3.05Å; L1310-K1313 VanDerWaalsContact O-CB 3.31Å; L1310-K1313 WeakPolarHBondContact O-CB 3.31Å; L1310-K1313 PolarHBondContact O-N 3.14Å; L1310-R1314 HydrophobicContact CD1-CB 4.38Å; L1310-R1314 HydrophobicContact CD1-CG 3.6Å
1311	D	93.8	Very high	91.4	Very high	12 Å²	12	20 Å²	20	6%	0.064	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	30.5	62.8	-169	-70.7	-25.9	0	0	0	112.2	M1090 R1273 W1307 K1313 I1321 W1325 I1328	M1090-D1311 HydrophobicContact CE-CB 4.37Å; M1090-D1311 WeakPolarHBondContact CE-OD2 3.31Å; R1273-D1311 IonicContact CZ-OD1 3.44Å; R1273-D1311 IonicContact NH1-OD1 3.21Å; R1273-D1311 PolarHBondContact NH1-OD1 3.32Å; R1273-D1311 IonicContact NH2-OD1 2.91Å; R1273-D1311 PolarHBondContact NH2-OD1 3.27Å; W1307-D1311 CarbonylContact O-C 3.58Å; W1307-D1311 WeakPolarHBondContact O-CA 3.4Å; W1307-D1311 PolarHBondContact O-N 3.28Å; D1311-K1313 VanDerWaalsContact C-N 3.27Å; D1311-K1313 PolarHBondContact O-N 3.07Å; D1311-K1313 VanDerWaalsContact O-N 3.15Å; D1311-I1321 WeakPolarHBondContact O-CD1 3.31Å; D1311-W1325 PolarHBondContact O-NE1 3.25Å; D1311-I1328 HydrophobicContact CB-CD1 4.28Å
1312	F	95.7	Very high	91.7	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.1	4.7	174.6	-52.9	-92.8	0	0	0	117.9	W1307 L1308 L1310 R1314 E1315 L1316 I1321 G1340 F1343 A1344 L1347	W1307-F1312 HydrophobicContact CB-CD1 3.83Å; W1307-F1312 HydrophobicContact CB-CE1 3.55Å; W1307-F1312 HydrophobicContact CB-CZ 4Å; W1307-F1312 HydrophobicContact CD2-CE1 4.17Å; W1307-F1312 HydrophobicContact CE3-CE1 4.14Å; W1307-F1312 HydrophobicContact CG-CD1 4.17Å; W1307-F1312 AromaticContact CG-CE1 3.96Å; W1307-F1312 HydrophobicContact CG-CE1 3.96Å; W1307-F1312 PolarHBondContact O-N 3.34Å; L1308-F1312 HydrophobicContact CD2-CZ 4.41Å; L1310-F1312 VanDerWaalsContact C-N 3.29Å; L1310-F1312 PolarHBondContact O-N 3.05Å; F1312-R1314 PolarHBondContact O-N 3.17Å; F1312-E1315 HydrophobicContact CB-CG 4.45Å; F1312-E1315 HydrophobicContact CD1-CG 4.26Å; F1312-E1315 PolarHBondContact O-N 3.12Å; F1312-L1316 HydrophobicContact CB-CD1 3.99Å; F1312-L1316 HydrophobicContact CB-CG 4.41Å; F1312-L1316 PolarHBondContact O-N 2.86Å; F1312-I1321 HydrophobicContact CB-CD1 4.34Å; F1312-G1340 WeakPolarHBondContact CE2-O 3.26Å; F1312-G1340 WeakPolarHBondContact CZ-O 3.39Å; F1312-F1343 HydrophobicContact CB-CE1 4.47Å; F1312-F1343 AromaticContact CD1-CD1 3.7Å; F1312-F1343 HydrophobicContact CD1-CD1 3.7Å; F1312-F1343 AromaticContact CD1-CE1 3.98Å; F1312-F1343 HydrophobicContact CD1-CE1 3.98Å; F1312-F1343 AromaticContact CD2-CD1 3.73Å; F1312-F1343 HydrophobicContact CD2-CD1 3.73Å; F1312-F1343 HydrophobicContact CD2-CE1 4.37Å; F1312-F1343 AromaticContact CE1-CD1 3.65Å; F1312-F1343 HydrophobicContact CE1-CD1 3.65Å; F1312-F1343 HydrophobicContact CE1-CE1 4.32Å; F1312-F1343 HydrophobicContact CE2-CB 4.02Å; F1312-F1343 AromaticContact CE2-CD1 3.73Å; F1312-F1343 HydrophobicContact CE2-CD1 3.73Å; F1312-F1343 HydrophobicContact CE2-CG 4.33Å; F1312-F1343 AromaticContact CG-CD1 3.74Å; F1312-F1343 HydrophobicContact CG-CD1 3.74Å; F1312-F1343 HydrophobicContact CG-CE1 4.01Å; F1312-F1343 HydrophobicContact CZ-CB 4.07Å; F1312-F1343 AromaticContact CZ-CD1 3.7Å; F1312-F1343 HydrophobicContact CZ-CD1 3.7Å; F1312-F1343 HydrophobicContact CZ-CG 4.38Å; F1312-A1344 HydrophobicContact CE1-CB 4.45Å; F1312-A1344 HydrophobicContact CZ-CB 3.91Å; F1312-L1347 HydrophobicContact CD1-CD2 4.26Å; F1312-L1347 HydrophobicContact CE1-CD2 4.08Å
1313	K	92.9	Very high	92.1	Very high	3 Å²	3	19.8 Å²	19.8	1%	0.013	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-8.1	178.7	177.1	54.5	-163.9	85.4	0	115.8	D1012 D1064 P1068 L1310 D1311 Y1318 I1321 W1325	D1012-K1313 IonicContact OD2-NZ 2.86Å; D1012-K1313 PolarHBondContact OD2-NZ 3.11Å; D1064-K1313 WeakPolarHBondContact O-CG 3.3Å; P1068-K1313 HydrophobicContact CG-CD 3.61Å; P1068-K1313 HydrophobicContact CG-CG 4.17Å; L1310-K1313 VanDerWaalsContact O-CB 3.31Å; L1310-K1313 WeakPolarHBondContact O-CB 3.31Å; L1310-K1313 PolarHBondContact O-N 3.14Å; D1311-K1313 VanDerWaalsContact C-N 3.27Å; D1311-K1313 PolarHBondContact O-N 3.07Å; D1311-K1313 VanDerWaalsContact O-N 3.15Å; K1313-Y1318 HydrophobicContact CD-CE1 4.48Å; K1313-Y1318 VanDerWaalsContact CE-CE1 3.41Å; K1313-Y1318 WeakPolarHBondContact CE-OH 3.38Å; K1313-Y1318 PolarHBondContact NZ-OH 3.4Å; K1313-I1321 HydrophobicContact CB-CD1 4.25Å; K1313-I1321 HydrophobicContact CB-CG1 4.2Å; K1313-I1321 HydrophobicContact CD-CB 4.46Å; K1313-I1321 HydrophobicContact CD-CG1 4.03Å; K1313-I1321 HydrophobicContact CD-CG2 4.14Å; K1313-W1325 HydrophobicContact CB-CZ2 3.98Å; K1313-W1325 HydrophobicContact CG-CZ2 4.44Å
1314	R	92	Very high	92.4	Very high	38 Å²	38	18.9 Å²	18.9	14%	0.143	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.1	5.3	172.9	-76.9	-71.6	175.3	-142.6	-8.1	114.3	D1012 D1064 R1137 R1306 L1310 F1312 T1373	D1012-R1314 IonicContact OD1-CZ 2.89Å; D1012-R1314 VanDerWaalsContact OD1-CZ 3.3Å; D1012-R1314 IonicContact OD1-NH1 2.68Å; D1012-R1314 PolarHBondContact OD1-NH1 3.47Å; D1012-R1314 IonicContact OD1-NH2 2.24Å; D1012-R1314 PolarHBondContact OD1-NH2 3.14Å; D1012-R1314 IonicContact OD2-NH1 3.8Å; D1064-R1314 IonicContact OD1-CZ 2.81Å; D1064-R1314 IonicContact OD1-NH2 3.15Å; D1064-R1314 PolarHBondContact OD1-NH2 3.26Å; D1064-R1314 IonicContact OD2-CZ 2.66Å; D1064-R1314 VanDerWaalsContact OD2-CZ 3.22Å; D1064-R1314 IonicContact OD2-NE 2.7Å; D1064-R1314 PolarHBondContact OD2-NE 3.39Å; D1064-R1314 IonicContact OD2-NH2 3.33Å; D1064-R1314 PolarHBondContact OD2-NH2 2.93Å; R1137-R1314 VanDerWaalsContact CZ-NH2 3.3Å; R1306-R1314 HydrophobicContact CG-CB 3.92Å; R1306-R1314 HydrophobicContact CG-CG 4.41Å; L1310-R1314 HydrophobicContact CD1-CB 4.38Å; L1310-R1314 HydrophobicContact CD1-CG 3.6Å; F1312-R1314 PolarHBondContact O-N 3.17Å; R1314-T1373 WeakPolarHBondContact O-CG2 3.44Å
1315	E	93.2	Very high	92.5	Very high	1 Å²	1	19 Å²	19	1%	0.005	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.3	-19.2	177.4	-34.1	-51.1	126.3	0	0	112.8	R1306 W1307 F1312 E1374 H1376	R1306-E1315 IonicContact CZ-OE1 3.39Å; R1306-E1315 IonicContact CZ-OE2 2.7Å; R1306-E1315 IonicContact NE-OE1 2.85Å; R1306-E1315 PolarHBondContact NE-OE1 3.08Å; R1306-E1315 IonicContact NE-OE2 2.74Å; R1306-E1315 VanDerWaalsContact NH2-CD 3.33Å; R1306-E1315 IonicContact NH2-OE1 2.67Å; R1306-E1315 PolarHBondContact NH2-OE1 3.41Å; R1306-E1315 IonicContact NH2-OE2 3.38Å; R1306-E1315 PolarHBondContact NH2-OE2 3.17Å; W1307-E1315 VanDerWaalsContact CD1-CG 3.41Å; W1307-E1315 VanDerWaalsContact CD1-OE1 3.31Å; W1307-E1315 HydrophobicContact CG-CG 4.23Å; W1307-E1315 VanDerWaalsContact NE1-CD 3.31Å; W1307-E1315 PolarHBondContact NE1-OE2 2.85Å; W1307-E1315 VanDerWaalsContact NE1-OE2 3.12Å; F1312-E1315 HydrophobicContact CB-CG 4.45Å; F1312-E1315 HydrophobicContact CD1-CG 4.26Å; F1312-E1315 PolarHBondContact O-N 3.12Å; E1315-E1374 WeakPolarHBondContact O-CA 3.41Å; E1315-E1374 PolarHBondContact O-N 3.34Å; E1315-H1376 PolarHBondContact O-CD2 3.5Å
1316	L	94.1	Very high	92.6	Very high	3 Å²	3	18.6 Å²	18.6	2%	0.016	9%	0.088	C	C	.	.	S	Bend	trans	-121.4	152	-170.9	-66.6	177.4	0	0	0	112.1	F1312 D1320 I1321 V1324 F1343 H1376	F1312-L1316 HydrophobicContact CB-CD1 3.99Å; F1312-L1316 HydrophobicContact CB-CG 4.41Å; F1312-L1316 PolarHBondContact O-N 2.86Å; L1316-D1320 HydrophobicContact CB-CB 4.09Å; L1316-D1320 HydrophobicContact CD2-CB 4.3Å; L1316-I1321 HydrophobicContact CB-CB 4.44Å; L1316-I1321 HydrophobicContact CB-CD1 4.2Å; L1316-I1321 HydrophobicContact CD1-CD1 3.87Å; L1316-V1324 HydrophobicContact CD1-CB 4.16Å; L1316-V1324 HydrophobicContact CD1-CG1 4.28Å; L1316-V1324 HydrophobicContact CD1-CG2 3.8Å; L1316-F1343 HydrophobicContact CD1-CE1 4.16Å; L1316-F1343 HydrophobicContact CD1-CZ 4.29Å; L1316-H1376 HydrophobicContact CD2-CB 3.96Å
1317	Q	91.5	Very high	92.6	Very high	91 Å²	91	16.9 Å²	16.9	43%	0.425	8%	0.082	S	C	.	.			trans	-75.5	168.7	174.2	-53.5	-171.5	11.1	0	0	111.1	N1319 D1320 I1321 E1374	Q1317-N1319 VanDerWaalsContact C-N 3.32Å; Q1317-N1319 PolarHBondContact O-N 2.99Å; Q1317-D1320 VanDerWaalsContact CB-OD2 3.22Å; Q1317-D1320 WeakPolarHBondContact CB-OD2 3.13Å; Q1317-D1320 WeakPolarHBondContact CG-OD2 3.04Å; Q1317-D1320 PolarHBondContact N-OD2 2.96Å; Q1317-D1320 PolarHBondContact O-N 2.96Å; Q1317-D1320 VanDerWaalsContact O-N 3.1Å; Q1317-I1321 PolarHBondContact O-N 3.18Å; Q1317-E1374 HydrophobicContact CG-CB 3.83Å; Q1317-E1374 HydrophobicContact CG-CG 4.09Å; Q1317-E1374 PolarHBondContact NE2-O 3.29Å
1318	Y	90.4	Very high	92.6	Very high	19 Å²	19	17.3 Å²	17.3	8%	0.075	8%	0.084	C	C	.	.	H	α-helix	trans	-60.8	-39	179	-83.1	-81.7	0	0	0	112.8	D1012 H1015 P1068 I1071 K1313 D1320 I1321 F1322	D1012-Y1318 HydrophobicContact CB-CE2 4.28Å; D1012-Y1318 PolarHBondContact OD2-OH 2.95Å; H1015-Y1318 HydrophobicContact CB-CD2 4.38Å; H1015-Y1318 HydrophobicContact CB-CE2 4.14Å; H1015-Y1318 AromaticContact CD2-CD2 3.47Å; H1015-Y1318 VanDerWaalsContact CD2-CD2 3.47Å; H1015-Y1318 WeakPolarHBondContact CD2-CD2 3.36Å; H1015-Y1318 AromaticContact CD2-CG 4Å; H1015-Y1318 AromaticContact CG-CD2 3.88Å; H1015-Y1318 AromaticContact CG-CE2 3.99Å; H1015-Y1318 AromaticContact NE2-CD2 3.89Å; H1015-Y1318 AromaticContact NE2-CG 3.92Å; P1068-Y1318 HydrophobicContact CB-CE1 4.38Å; P1068-Y1318 HydrophobicContact CG-CE1 3.95Å; I1071-Y1318 HydrophobicContact CD1-CD1 3.62Å; I1071-Y1318 HydrophobicContact CD1-CE1 3.28Å; I1071-Y1318 HydrophobicContact CD1-CE2 4.44Å; I1071-Y1318 HydrophobicContact CD1-CG 4.32Å; K1313-Y1318 HydrophobicContact CD-CE1 4.48Å; K1313-Y1318 VanDerWaalsContact CE-CE1 3.41Å; K1313-Y1318 WeakPolarHBondContact CE-OH 3.38Å; K1313-Y1318 PolarHBondContact NZ-OH 3.4Å; Y1318-D1320 PolarHBondContact O-N 3.5Å; Y1318-I1321 HydrophobicContact CD1-CG2 4.47Å; Y1318-I1321 WeakPolarHBondContact O-CG2 3.34Å; Y1318-I1321 PolarHBondContact O-N 2.75Å; Y1318-F1322 HydrophobicContact CD1-CE1 4.14Å; Y1318-F1322 HydrophobicContact CD1-CZ 4.01Å; Y1318-F1322 WeakPolarHBondContact O-CD2 3.37Å; Y1318-F1322 WeakPolarHBondContact O-CE2 3.45Å; Y1318-F1322 WeakPolarHBondContact O-CG 3.19Å
1319	N	89.3	Confident	92.5	Very high	117 Å²	117	17.5 Å²	17.5	63%	0.626	9%	0.085	S	C	*	.	H	α-helix	trans	-67.2	-22.7	176.9	-62.4	-17.1	0	0	0	113.3	Q1317 P1323	Q1317-N1319 VanDerWaalsContact C-N 3.32Å; Q1317-N1319 PolarHBondContact O-N 2.99Å; N1319-P1323 WeakPolarHBondContact O-CD 3.32Å; N1319-P1323 WeakPolarHBondContact O-CG 3.39Å
1320	D	92.7	Very high	92.4	Very high	29 Å²	29	17.5 Å²	17.5	16%	0.155	9%	0.085	C	C	.	.	H	α-helix	trans	-93.7	-32.2	-178	-47.2	-38.8	0	0	0	111.8	L1316 Q1317 Y1318 P1323 V1324 Y1378	L1316-D1320 HydrophobicContact CB-CB 4.09Å; L1316-D1320 HydrophobicContact CD2-CB 4.3Å; Q1317-D1320 VanDerWaalsContact CB-OD2 3.22Å; Q1317-D1320 WeakPolarHBondContact CB-OD2 3.13Å; Q1317-D1320 WeakPolarHBondContact CG-OD2 3.04Å; Q1317-D1320 PolarHBondContact N-OD2 2.96Å; Q1317-D1320 PolarHBondContact O-N 2.96Å; Q1317-D1320 VanDerWaalsContact O-N 3.1Å; Y1318-D1320 PolarHBondContact O-N 3.5Å; D1320-P1323 WeakPolarHBondContact O-CD 3.34Å; D1320-P1323 WeakPolarHBondContact O-CG 3.47Å; D1320-V1324 WeakPolarHBondContact O-CG2 3.48Å; D1320-V1324 PolarHBondContact O-N 2.85Å; D1320-Y1378 HydrophobicContact CB-CD1 3.54Å; D1320-Y1378 HydrophobicContact CB-CE1 4.19Å; D1320-Y1378 HydrophobicContact CB-CG 4.06Å; D1320-Y1378 WeakPolarHBondContact OD1-CD1 3.43Å; D1320-Y1378 WeakPolarHBondContact OD1-CE1 3.48Å
1321	I	93	Very high	92.3	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-73.2	-33.5	-175.4	-161	63.2	0	0	0	112.5	P1068 D1311 F1312 K1313 L1316 Q1317 Y1318 V1324 W1325	P1068-I1321 HydrophobicContact CG-CG2 4.5Å; D1311-I1321 WeakPolarHBondContact O-CD1 3.31Å; F1312-I1321 HydrophobicContact CB-CD1 4.34Å; K1313-I1321 HydrophobicContact CB-CD1 4.25Å; K1313-I1321 HydrophobicContact CB-CG1 4.2Å; K1313-I1321 HydrophobicContact CD-CB 4.46Å; K1313-I1321 HydrophobicContact CD-CG1 4.03Å; K1313-I1321 HydrophobicContact CD-CG2 4.14Å; L1316-I1321 HydrophobicContact CB-CB 4.44Å; L1316-I1321 HydrophobicContact CB-CD1 4.2Å; L1316-I1321 HydrophobicContact CD1-CD1 3.87Å; Q1317-I1321 PolarHBondContact O-N 3.18Å; Y1318-I1321 HydrophobicContact CD1-CG2 4.47Å; Y1318-I1321 WeakPolarHBondContact O-CG2 3.34Å; Y1318-I1321 PolarHBondContact O-N 2.75Å; I1321-V1324 PolarHBondContact O-N 3.28Å; I1321-W1325 HydrophobicContact CG1-CD2 4.22Å; I1321-W1325 HydrophobicContact CG1-CG 4.22Å; I1321-W1325 HydrophobicContact CG1-CZ2 4.42Å; I1321-W1325 WeakPolarHBondContact O-CB 3.35Å; I1321-W1325 PolarHBondContact O-N 3.35Å
1322	F	92.2	Very high	92	Very high	29 Å²	29	18.1 Å²	18.1	13%	0.127	9%	0.086	C	C	.	.	H	α-helix	trans	-59.8	-51.4	175.6	-44.2	-47.1	0	0	0	111.7	W845 P1068 I1071 I1072 Y1318 V1324 W1325 E1326	W845-F1322 AromaticContact CH2-CD1 3.7Å; W845-F1322 HydrophobicContact CH2-CD1 3.7Å; W845-F1322 HydrophobicContact CH2-CE1 4.27Å; W845-F1322 HydrophobicContact CZ2-CB 4.03Å; W845-F1322 AromaticContact CZ2-CD1 3.7Å; W845-F1322 HydrophobicContact CZ2-CD1 3.7Å; W845-F1322 HydrophobicContact CZ2-CG 4.22Å; P1068-F1322 HydrophobicContact CB-CD1 4.4Å; P1068-F1322 HydrophobicContact CB-CE1 3.96Å; I1071-F1322 HydrophobicContact CG2-CZ 4.02Å; I1072-F1322 HydrophobicContact CD1-CD1 4.1Å; I1072-F1322 HydrophobicContact CD1-CD2 4.05Å; I1072-F1322 HydrophobicContact CD1-CE1 3.9Å; I1072-F1322 HydrophobicContact CD1-CE2 3.87Å; I1072-F1322 HydrophobicContact CD1-CG 4.18Å; I1072-F1322 HydrophobicContact CD1-CZ 3.78Å; I1072-F1322 HydrophobicContact CG1-CD1 4Å; I1072-F1322 HydrophobicContact CG1-CE1 3.74Å; I1072-F1322 HydrophobicContact CG1-CZ 4.08Å; Y1318-F1322 HydrophobicContact CD1-CE1 4.14Å; Y1318-F1322 HydrophobicContact CD1-CZ 4.01Å; Y1318-F1322 WeakPolarHBondContact O-CD2 3.37Å; Y1318-F1322 WeakPolarHBondContact O-CE2 3.45Å; Y1318-F1322 WeakPolarHBondContact O-CG 3.19Å; F1322-V1324 VanDerWaalsContact C-N 3.31Å; F1322-V1324 PolarHBondContact O-N 3.44Å; F1322-W1325 PolarHBondContact O-N 3.34Å; F1322-E1326 PolarHBondContact O-N 3.12Å
1323	P	91.4	Very high	91.3	Very high	5 Å²	5	19.8 Å²	19.8	3%	0.032	9%	0.094	C	C	.	.	H	α-helix	trans	-47.8	-47.4	169.9	-25.6	23.8	0	0	0	115.1	I840 N1319 D1320 T1327 Y1378 L1382	I840-P1323 HydrophobicContact CD1-CB 3.62Å; I840-P1323 HydrophobicContact CD1-CG 3.89Å; I840-P1323 HydrophobicContact CG1-CB 4.19Å; N1319-P1323 WeakPolarHBondContact O-CD 3.32Å; N1319-P1323 WeakPolarHBondContact O-CG 3.39Å; D1320-P1323 WeakPolarHBondContact O-CD 3.34Å; D1320-P1323 WeakPolarHBondContact O-CG 3.47Å; P1323-T1327 WeakPolarHBondContact O-CB 3.42Å; P1323-T1327 PolarHBondContact O-N 3.15Å; P1323-T1327 VanDerWaalsContact O-N 3.08Å; P1323-T1327 PolarHBondContact O-OG1 3.1Å; P1323-Y1378 HydrophobicContact CB-CD2 3.79Å; P1323-Y1378 HydrophobicContact CB-CE2 3.38Å; P1323-Y1378 HydrophobicContact CG-CD2 4.2Å; P1323-Y1378 HydrophobicContact CG-CE1 4.38Å; P1323-Y1378 HydrophobicContact CG-CE2 3.56Å; P1323-L1382 HydrophobicContact CB-CD1 4.49Å
1324	V	93.7	Very high	90.8	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-72.6	-39.3	-173.8	172.8	0	0	0	0	111	L1316 D1320 I1321 F1322 T1327 I1328 F1343 Y1378 L1382	L1316-V1324 HydrophobicContact CD1-CB 4.16Å; L1316-V1324 HydrophobicContact CD1-CG1 4.28Å; L1316-V1324 HydrophobicContact CD1-CG2 3.8Å; D1320-V1324 WeakPolarHBondContact O-CG2 3.48Å; D1320-V1324 PolarHBondContact O-N 2.85Å; I1321-V1324 PolarHBondContact O-N 3.28Å; F1322-V1324 VanDerWaalsContact C-N 3.31Å; F1322-V1324 PolarHBondContact O-N 3.44Å; V1324-T1327 PolarHBondContact O-N 3.46Å; V1324-I1328 HydrophobicContact CG1-CD1 3.79Å; V1324-I1328 HydrophobicContact CG1-CG1 4.48Å; V1324-I1328 WeakPolarHBondContact O-CB 3.5Å; V1324-I1328 WeakPolarHBondContact O-CD1 3.42Å; V1324-I1328 WeakPolarHBondContact O-CG1 3.46Å; V1324-I1328 PolarHBondContact O-N 3.1Å; V1324-F1343 HydrophobicContact CG1-CD1 4.45Å; V1324-F1343 HydrophobicContact CG1-CE1 4.26Å; V1324-F1343 HydrophobicContact CG1-CE2 4.36Å; V1324-F1343 HydrophobicContact CG1-CZ 4.21Å; V1324-F1343 HydrophobicContact CG2-CE2 4.06Å; V1324-F1343 HydrophobicContact CG2-CZ 3.86Å; V1324-Y1378 HydrophobicContact CG2-CD2 4.34Å; V1324-L1382 HydrophobicContact CG2-CD1 4.24Å; V1324-L1382 HydrophobicContact CG2-CD2 4.14Å; V1324-L1382 HydrophobicContact CG2-CG 4.16Å
1325	W	94.4	Very high	90.4	Very high	3 Å²	3	19 Å²	19	1%	0.011	9%	0.092	C	C	.	.	H	α-helix	trans	-68.3	-43.2	176.9	-79.8	15.6	0	0	0	112.9	W845 L1065 P1068 I1069 D1311 K1313 I1321 F1322 T1327 I1328 W1329	W845-W1325 AromaticContact CH2-CE3 3.89Å; W845-W1325 HydrophobicContact CH2-CE3 3.89Å; W845-W1325 HydrophobicContact CH2-CZ3 4.43Å; W845-W1325 HydrophobicContact CZ3-CE3 4.17Å; W845-W1325 HydrophobicContact CZ3-CZ3 4.43Å; L1065-W1325 HydrophobicContact CD2-CH2 4.18Å; L1065-W1325 HydrophobicContact CD2-CZ2 4Å; L1065-W1325 WeakPolarHBondContact O-CH2 3.5Å; P1068-W1325 HydrophobicContact CB-CE3 4.19Å; P1068-W1325 HydrophobicContact CB-CH2 4.07Å; P1068-W1325 HydrophobicContact CB-CZ3 3.64Å; P1068-W1325 HydrophobicContact CG-CH2 3.65Å; P1068-W1325 HydrophobicContact CG-CZ2 4.34Å; P1068-W1325 HydrophobicContact CG-CZ3 3.78Å; I1069-W1325 HydrophobicContact CG1-CZ3 4.29Å; D1311-W1325 PolarHBondContact O-NE1 3.25Å; K1313-W1325 HydrophobicContact CB-CZ2 3.98Å; K1313-W1325 HydrophobicContact CG-CZ2 4.44Å; I1321-W1325 HydrophobicContact CG1-CD2 4.22Å; I1321-W1325 HydrophobicContact CG1-CG 4.22Å; I1321-W1325 HydrophobicContact CG1-CZ2 4.42Å; I1321-W1325 WeakPolarHBondContact O-CB 3.35Å; I1321-W1325 PolarHBondContact O-N 3.35Å; F1322-W1325 PolarHBondContact O-N 3.34Å; W1325-T1327 VanDerWaalsContact C-N 3.31Å; W1325-T1327 PolarHBondContact O-N 3.01Å; W1325-I1328 PolarHBondContact O-N 3.4Å; W1325-W1329 HydrophobicContact CB-CH2 4.23Å; W1325-W1329 HydrophobicContact CB-CZ2 4.01Å; W1325-W1329 HydrophobicContact CD2-CH2 4.46Å; W1325-W1329 AromaticContact CD2-CZ2 3.99Å; W1325-W1329 HydrophobicContact CD2-CZ2 3.99Å; W1325-W1329 AromaticContact CE3-CH2 3.69Å; W1325-W1329 HydrophobicContact CE3-CH2 3.69Å; W1325-W1329 AromaticContact CE3-CZ2 3.49Å; W1325-W1329 HydrophobicContact CE3-CZ2 3.49Å; W1325-W1329 VanDerWaalsContact CE3-CZ2 3.49Å; W1325-W1329 HydrophobicContact CG-CZ2 4.25Å; W1325-W1329 HydrophobicContact CZ3-CH2 4.43Å; W1325-W1329 HydrophobicContact CZ3-CZ2 4.2Å; W1325-W1329 VanDerWaalsContact O-CG 3.24Å; W1325-W1329 PolarHBondContact O-N 3.08Å
1326	E	91.9	Very high	90.1	Very high	1 Å²	1	18.9 Å²	18.9	1%	0.005	9%	0.092	C	C	.	.	H	α-helix	trans	-61.2	-41.8	174	-72.4	-178.9	-143.9	0	0	111.3	I836 I840 H841 W845 L848 F1322 I1328 W1329 A1330	I836-E1326 HydrophobicContact CG2-CB 3.98Å; I840-E1326 WeakPolarHBondContact CA-OE2 3.34Å; I840-E1326 WeakPolarHBondContact CG2-OE2 3.47Å; H841-E1326 PolarHBondContact N-OE2 3.09Å; W845-E1326 PolarHBondContact NE1-OE1 3.17Å; L848-E1326 HydrophobicContact CD1-CB 4.29Å; L848-E1326 HydrophobicContact CD1-CG 4.02Å; F1322-E1326 PolarHBondContact O-N 3.12Å; E1326-I1328 PolarHBondContact O-N 2.96Å; E1326-W1329 PolarHBondContact O-N 2.86Å; E1326-A1330 VanDerWaalsContact O-CB 3.25Å; E1326-A1330 WeakPolarHBondContact O-CB 3.21Å; E1326-A1330 PolarHBondContact O-N 3.34Å
1327	T	91.9	Very high	89.7	Confident	1 Å²	1	20.7 Å²	20.7	1%	0.006	10%	0.099	C	C	.	.	H	α-helix	trans	-62.7	-41.6	174	-52.8	0	0	0	0	111.9	Y837 P1323 V1324 W1325 S1331 F1339 L1382	Y837-T1327 HydrophobicContact CD2-CG2 3.62Å; Y837-T1327 HydrophobicContact CE2-CG2 3.82Å; P1323-T1327 WeakPolarHBondContact O-CB 3.42Å; P1323-T1327 PolarHBondContact O-N 3.15Å; P1323-T1327 VanDerWaalsContact O-N 3.08Å; P1323-T1327 PolarHBondContact O-OG1 3.1Å; V1324-T1327 PolarHBondContact O-N 3.46Å; W1325-T1327 VanDerWaalsContact C-N 3.31Å; W1325-T1327 PolarHBondContact O-N 3.01Å; T1327-S1331 WeakPolarHBondContact O-CB 3.33Å; T1327-S1331 PolarHBondContact O-N 3.13Å; T1327-S1331 PolarHBondContact O-OG 3.47Å; T1327-F1339 HydrophobicContact CG2-CE1 3.99Å; T1327-F1339 HydrophobicContact CG2-CZ 4.07Å; T1327-L1382 HydrophobicContact CG2-CD2 3.94Å
1328	I	92.7	Very high	89.5	Confident	12 Å²	12	16.7 Å²	16.7	6%	0.062	8%	0.08	C	C	.	.	H	α-helix	trans	-63.8	-44	176.5	-72.9	164.7	0	0	0	111.3	D1311 V1324 W1325 E1326 S1331 R1332 F1339	D1311-I1328 HydrophobicContact CB-CD1 4.28Å; V1324-I1328 HydrophobicContact CG1-CD1 3.79Å; V1324-I1328 HydrophobicContact CG1-CG1 4.48Å; V1324-I1328 WeakPolarHBondContact O-CB 3.5Å; V1324-I1328 WeakPolarHBondContact O-CD1 3.42Å; V1324-I1328 WeakPolarHBondContact O-CG1 3.46Å; V1324-I1328 PolarHBondContact O-N 3.1Å; W1325-I1328 PolarHBondContact O-N 3.4Å; E1326-I1328 PolarHBondContact O-N 2.96Å; I1328-S1331 WeakPolarHBondContact CA-OG 3.29Å; I1328-S1331 PolarHBondContact O-OG 2.95Å; I1328-S1331 VanDerWaalsContact O-OG 3.04Å; I1328-R1332 VanDerWaalsContact O-CB 3.25Å; I1328-R1332 WeakPolarHBondContact O-CB 3.41Å; I1328-R1332 PolarHBondContact O-N 3.07Å; I1328-R1332 VanDerWaalsContact O-N 3.11Å; I1328-F1339 HydrophobicContact CG1-CB 4.26Å; I1328-F1339 HydrophobicContact CG1-CD1 3.9Å
1329	W	92.4	Very high	89.7	Confident	4 Å²	4	15.8 Å²	15.8	2%	0.015	8%	0.077	C	C	.	.	H	α-helix	trans	-76.3	-32.8	-177.9	-56	-23.9	0	0	0	113.2	W845 L848 L849 L1086 W1089 W1325 E1326 R1332	W845-W1329 HydrophobicContact CB-CZ3 4.25Å; W845-W1329 AromaticContact CD2-CH2 3.89Å; W845-W1329 HydrophobicContact CD2-CH2 3.89Å; W845-W1329 AromaticContact CD2-CZ3 3.52Å; W845-W1329 HydrophobicContact CD2-CZ3 3.52Å; W845-W1329 AromaticContact CE2-CZ3 3.87Å; W845-W1329 AromaticContact CE3-CH2 3.63Å; W845-W1329 HydrophobicContact CE3-CH2 3.63Å; W845-W1329 AromaticContact CE3-CZ3 3.75Å; W845-W1329 HydrophobicContact CE3-CZ3 3.75Å; W845-W1329 AromaticContact CG-CZ3 3.74Å; W845-W1329 HydrophobicContact CG-CZ3 3.74Å; W845-W1329 HydrophobicContact CH2-CH2 4.13Å; W845-W1329 HydrophobicContact CZ2-CH2 4.38Å; W845-W1329 HydrophobicContact CZ2-CZ3 4.37Å; W845-W1329 AromaticContact CZ3-CH2 3.75Å; W845-W1329 HydrophobicContact CZ3-CH2 3.75Å; W845-W1329 HydrophobicContact CZ3-CZ3 4.26Å; L848-W1329 HydrophobicContact CB-CB 4.07Å; L848-W1329 HydrophobicContact CB-CE3 4.05Å; L848-W1329 HydrophobicContact CD1-CE3 4.1Å; L849-W1329 HydrophobicContact CD1-CH2 4.18Å; L849-W1329 HydrophobicContact CD1-CZ3 4.23Å; L849-W1329 HydrophobicContact CD2-CD2 3.9Å; L849-W1329 HydrophobicContact CD2-CE3 4.11Å; L849-W1329 HydrophobicContact CD2-CH2 4.08Å; L849-W1329 HydrophobicContact CD2-CZ2 3.87Å; L849-W1329 HydrophobicContact CD2-CZ3 4.2Å; L849-W1329 HydrophobicContact CG-CD2 4.44Å; L849-W1329 HydrophobicContact CG-CE3 4.16Å; L849-W1329 HydrophobicContact CG-CH2 4.31Å; L849-W1329 HydrophobicContact CG-CZ3 4.09Å; L1086-W1329 HydrophobicContact CD1-CZ2 4.3Å; W1089-W1329 AromaticContact CZ3-CD1 3.88Å; W1089-W1329 HydrophobicContact CZ3-CG 4.22Å; W1325-W1329 HydrophobicContact CB-CH2 4.23Å; W1325-W1329 HydrophobicContact CB-CZ2 4.01Å; W1325-W1329 HydrophobicContact CD2-CH2 4.46Å; W1325-W1329 AromaticContact CD2-CZ2 3.99Å; W1325-W1329 HydrophobicContact CD2-CZ2 3.99Å; W1325-W1329 AromaticContact CE3-CH2 3.69Å; W1325-W1329 HydrophobicContact CE3-CH2 3.69Å; W1325-W1329 AromaticContact CE3-CZ2 3.49Å; W1325-W1329 HydrophobicContact CE3-CZ2 3.49Å; W1325-W1329 VanDerWaalsContact CE3-CZ2 3.49Å; W1325-W1329 HydrophobicContact CG-CZ2 4.25Å; W1325-W1329 HydrophobicContact CZ3-CH2 4.43Å; W1325-W1329 HydrophobicContact CZ3-CZ2 4.2Å; W1325-W1329 VanDerWaalsContact O-CG 3.24Å; W1325-W1329 PolarHBondContact O-N 3.08Å; E1326-W1329 PolarHBondContact O-N 2.86Å; W1329-R1332 WeakPolarHBondContact O-CB 3.48Å
1330	A	89.8	Confident	89.9	Confident	0 Å²	0	10.2 Å²	10.2	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-68.4	-48.4	172.2	0	0	0	0	0	111.6	C833 I836 L848 E1326 R1332 Q1333 L1334	C833-A1330 HydrophobicContact CB-CB 4.23Å; C833-A1330 WeakPolarHBondContact O-CB 3.34Å; I836-A1330 HydrophobicContact CB-CB 4.2Å; I836-A1330 HydrophobicContact CG2-CB 3.95Å; L848-A1330 HydrophobicContact CD2-CB 4.32Å; E1326-A1330 VanDerWaalsContact O-CB 3.25Å; E1326-A1330 WeakPolarHBondContact O-CB 3.21Å; E1326-A1330 PolarHBondContact O-N 3.34Å; A1330-R1332 VanDerWaalsContact C-N 3.29Å; A1330-R1332 PolarHBondContact O-N 2.98Å; A1330-Q1333 PolarHBondContact O-N 3.37Å; A1330-Q1333 VanDerWaalsContact O-N 3.12Å; A1330-L1334 WeakPolarHBondContact O-CG 3.33Å
1331	S	89.5	Confident	90	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-63.8	-32.4	-179.8	56.1	0	0	0	0	113.5	T1327 I1328 Q1333 L1334 V1335 T1336 F1339	T1327-S1331 WeakPolarHBondContact O-CB 3.33Å; T1327-S1331 PolarHBondContact O-N 3.13Å; T1327-S1331 PolarHBondContact O-OG 3.47Å; I1328-S1331 WeakPolarHBondContact CA-OG 3.29Å; I1328-S1331 PolarHBondContact O-OG 2.95Å; I1328-S1331 VanDerWaalsContact O-OG 3.04Å; S1331-Q1333 PolarHBondContact O-N 2.95Å; S1331-Q1333 VanDerWaalsContact O-N 3.16Å; S1331-L1334 PolarHBondContact O-N 3.48Å; S1331-V1335 PolarHBondContact O-N 3.44Å; S1331-T1336 CarbonylContact C-O 3.42Å; S1331-T1336 PolarHBondContact O-N 3.46Å; S1331-T1336 VanDerWaalsContact O-N 3.08Å; S1331-T1336 VanDerWaalsContact O-O 3.14Å; S1331-F1339 WeakPolarHBondContact OG-CB 3.48Å; S1331-F1339 WeakPolarHBondContact OG-CG 3.14Å
1332	R	88.3	Confident	90.1	Very high	25 Å²	25	8.9 Å²	8.9	9%	0.094	4%	0.04	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.2	-28.8	171.2	178.9	176.1	-178.1	71.3	0.1	114.4	W1089 I1328 W1329 A1330 T1336 Y1337	W1089-R1332 VanDerWaalsContact CD2-NE 3.29Å; W1089-R1332 VanDerWaalsContact CE3-NE 3.28Å; I1328-R1332 VanDerWaalsContact O-CB 3.25Å; I1328-R1332 WeakPolarHBondContact O-CB 3.41Å; I1328-R1332 PolarHBondContact O-N 3.07Å; I1328-R1332 VanDerWaalsContact O-N 3.11Å; W1329-R1332 WeakPolarHBondContact O-CB 3.48Å; A1330-R1332 VanDerWaalsContact C-N 3.29Å; A1330-R1332 PolarHBondContact O-N 2.98Å; R1332-T1336 WeakPolarHBondContact CA-O 3.3Å; R1332-T1336 PolarHBondContact N-O 3.01Å; R1332-Y1337 PolarHBondContact NH1-O 3.23Å; R1332-Y1337 VanDerWaalsContact NH1-O 3.13Å; R1332-Y1337 PolarHBondContact NH2-OH 3Å
1333	Q	81	Confident	90.4	Very high	34 Å²	34	7.6 Å²	7.6	16%	0.159	3%	0.034	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.1	-3.1	-179.6	-57.2	-89.7	53.2	0	0	112.8	F829 A1330 S1331	F829-Q1333 HydrophobicContact CE1-CG 4.23Å; A1330-Q1333 PolarHBondContact O-N 3.37Å; A1330-Q1333 VanDerWaalsContact O-N 3.12Å; S1331-Q1333 PolarHBondContact O-N 2.95Å; S1331-Q1333 VanDerWaalsContact O-N 3.16Å
1334	L	81.7	Confident	90.6	Very high	21 Å²	21	7.3 Å²	7.3	11%	0.11	3%	0.033	C	C	.	.	T	Hydrogen-bonded Turn	trans	-128.8	-53.4	-168.2	-68.3	179.1	0	0	0	115.3	S795 L799 S830 C833 R834 A1330 S1331	S795-L1334 PolarHBondContact OG-O 3.33Å; L799-L1334 HydrophobicContact CD1-CB 4.32Å; L799-L1334 HydrophobicContact CD2-CB 4.24Å; L799-L1334 HydrophobicContact CD2-CD1 3.87Å; L799-L1334 HydrophobicContact CD2-CD2 4.35Å; L799-L1334 HydrophobicContact CD2-CG 4.41Å; S830-L1334 WeakPolarHBondContact O-CD2 3.49Å; C833-L1334 VanDerWaalsContact C-CD1 3.47Å; C833-L1334 HydrophobicContact CB-CD1 3.51Å; C833-L1334 HydrophobicContact CB-CD2 4.18Å; C833-L1334 HydrophobicContact CB-CG 3.82Å; R834-L1334 HydrophobicContact CB-CD1 4.42Å; A1330-L1334 WeakPolarHBondContact O-CG 3.33Å; S1331-L1334 PolarHBondContact O-N 3.48Å
1335	V	83.3	Confident	90.7	Very high	3 Å²	3	7.3 Å²	7.3	2%	0.018	3%	0.033	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.2	-47.3	-166.1	-129.9	0	0	0	0	112.1	V794 S795 L799 Y837 I1251 S1331 V1389	V794-V1335 CarbonylContact C-O 3.59Å; V794-V1335 VanDerWaalsContact CA-O 3.25Å; V794-V1335 WeakPolarHBondContact CA-O 3.49Å; V794-V1335 HydrophobicContact CG1-CG1 4.43Å; V794-V1335 VanDerWaalsContact CG1-O 3.25Å; V794-V1335 WeakPolarHBondContact CG1-O 3.25Å; S795-V1335 PolarHBondContact N-O 3.46Å; L799-V1335 HydrophobicContact CD1-CB 4.29Å; L799-V1335 HydrophobicContact CD1-CG1 3.77Å; L799-V1335 HydrophobicContact CD1-CG2 3.94Å; Y837-V1335 HydrophobicContact CE2-CG2 4.29Å; I1251-V1335 VanDerWaalsContact CD1-C 3.42Å; S1331-V1335 PolarHBondContact O-N 3.44Å; V1335-V1389 HydrophobicContact CB-CG1 3.93Å; V1335-V1389 HydrophobicContact CG1-CG1 3.46Å; V1335-V1389 VanDerWaalsContact CG1-CG1 3.46Å
1336	T	87.4	Confident	90.9	Very high	0 Å²	0	7.2 Å²	7.2	0%	0	3%	0.032	C	C	.	.	B	Isolated β-bridge	trans	-152.5	133	-178.9	174.9	0	0	0	0	110.7	L793 S1331 R1332 D1338 F1339 F1342 V1389	L793-T1336 WeakPolarHBondContact O-CA 3.36Å; L793-T1336 WeakPolarHBondContact O-CB 3.49Å; L793-T1336 PolarHBondContact O-OG1 2.85Å; S1331-T1336 CarbonylContact C-O 3.42Å; S1331-T1336 PolarHBondContact O-N 3.46Å; S1331-T1336 VanDerWaalsContact O-N 3.08Å; S1331-T1336 VanDerWaalsContact O-O 3.14Å; R1332-T1336 WeakPolarHBondContact CA-O 3.3Å; R1332-T1336 PolarHBondContact N-O 3.01Å; T1336-D1338 PolarHBondContact O-N 3Å; T1336-D1338 PolarHBondContact OG1-N 2.9Å; T1336-D1338 PolarHBondContact OG1-O 3.48Å; T1336-F1339 HydrophobicContact CG2-CB 3.98Å; T1336-F1339 HydrophobicContact CG2-CD2 3.95Å; T1336-F1339 HydrophobicContact CG2-CG 4.48Å; T1336-F1342 HydrophobicContact CG2-CD2 4.04Å; T1336-F1342 HydrophobicContact CG2-CE2 4.02Å; T1336-V1389 HydrophobicContact CG2-CG2 4.18Å
1337	Y	84.9	Confident	91.1	Very high	40 Å²	40	7.2 Å²	7.2	16%	0.157	3%	0.032	C	C	.	.	S	Bend	trans	-59.1	-26.3	176.1	-176.9	-84.6	0	0	0	112.7	S1253 Y1255 R1332	S1253-Y1337 VanDerWaalsContact CB-CE2 3.42Å; S1253-Y1337 WeakPolarHBondContact OG-CD1 3.17Å; S1253-Y1337 WeakPolarHBondContact OG-CE1 3.49Å; Y1255-Y1337 HydrophobicContact CD2-CD1 4.15Å; Y1255-Y1337 AromaticContact CD2-CE1 3.84Å; Y1255-Y1337 HydrophobicContact CD2-CE1 3.84Å; Y1255-Y1337 HydrophobicContact CE2-CD1 4.09Å; Y1255-Y1337 HydrophobicContact CE2-CE1 4.14Å; R1332-Y1337 PolarHBondContact NH1-O 3.23Å; R1332-Y1337 VanDerWaalsContact NH1-O 3.13Å; R1332-Y1337 PolarHBondContact NH2-OH 3Å
1338	D	88.7	Confident	91.3	Very high	7 Å²	7	7.3 Å²	7.3	4%	0.037	3%	0.033	C	C	.	.			trans	-131	82.1	-176.4	-170.7	-17.8	0	0	0	110.3	L793 Y1255 R1273 T1336 G1340 I1341 F1342	L793-D1338 HydrophobicContact CD2-CB 4.45Å; Y1255-D1338 HydrophobicContact CE2-CB 4.35Å; Y1255-D1338 PolarHBondContact OH-OD2 2.91Å; R1273-D1338 IonicContact CZ-OD1 3.22Å; R1273-D1338 IonicContact CZ-OD2 2.91Å; R1273-D1338 IonicContact NE-OD1 3.9Å; R1273-D1338 IonicContact NE-OD2 3.4Å; R1273-D1338 PolarHBondContact NE-OD2 2.94Å; R1273-D1338 IonicContact NH2-OD1 3.77Å; R1273-D1338 PolarHBondContact NH2-OD1 3.5Å; R1273-D1338 IonicContact NH2-OD2 3.64Å; R1273-D1338 PolarHBondContact NH2-OD2 3.47Å; T1336-D1338 PolarHBondContact O-N 3Å; T1336-D1338 PolarHBondContact OG1-N 2.9Å; T1336-D1338 PolarHBondContact OG1-O 3.48Å; D1338-G1340 PolarHBondContact OD1-N 3.47Å; D1338-I1341 HydrophobicContact CB-CG1 4.44Å; D1338-I1341 WeakPolarHBondContact O-CG1 3.17Å; D1338-I1341 PolarHBondContact OD1-N 3.31Å; D1338-I1341 VanDerWaalsContact OD1-N 3.1Å; D1338-F1342 WeakPolarHBondContact O-CD2 3.35Å
1339	F	93.4	Very high	91.4	Very high	1 Å²	1	9.3 Å²	9.3	0%	0.004	4%	0.042	C	C	.	.			trans	-72.2	-20.9	171.2	-168.2	-95.2	0	0	0	112.4	Y837 T1327 I1328 S1331 T1336 I1341 F1342 F1343 L1382 A1385 R1386 V1389	Y837-F1339 HydrophobicContact CE2-CD2 4.42Å; Y837-F1339 AromaticContact CE2-CE2 3.92Å; Y837-F1339 HydrophobicContact CE2-CE2 3.92Å; Y837-F1339 HydrophobicContact CE2-CZ 4.42Å; T1327-F1339 HydrophobicContact CG2-CE1 3.99Å; T1327-F1339 HydrophobicContact CG2-CZ 4.07Å; I1328-F1339 HydrophobicContact CG1-CB 4.26Å; I1328-F1339 HydrophobicContact CG1-CD1 3.9Å; S1331-F1339 WeakPolarHBondContact OG-CB 3.48Å; S1331-F1339 WeakPolarHBondContact OG-CG 3.14Å; T1336-F1339 HydrophobicContact CG2-CB 3.98Å; T1336-F1339 HydrophobicContact CG2-CD2 3.95Å; T1336-F1339 HydrophobicContact CG2-CG 4.48Å; F1339-I1341 VanDerWaalsContact C-N 3.3Å; F1339-I1341 PolarHBondContact O-N 3.06Å; F1339-F1342 WeakPolarHBondContact O-CB 3.27Å; F1339-F1342 PolarHBondContact O-N 3.3Å; F1339-F1343 HydrophobicContact CE1-CD2 4.5Å; F1339-F1343 PolarHBondContact O-N 2.92Å; F1339-L1382 HydrophobicContact CE1-CD2 3.9Å; F1339-L1382 HydrophobicContact CZ-CD2 4.45Å; F1339-A1385 HydrophobicContact CE1-CB 4.01Å; F1339-A1385 HydrophobicContact CZ-CB 3.71Å; F1339-R1386 HydrophobicContact CE2-CG 4.5Å; F1339-R1386 HydrophobicContact CZ-CG 4.21Å; F1339-V1389 HydrophobicContact CD2-CG2 4.08Å; F1339-V1389 HydrophobicContact CE2-CG2 3.98Å
1340	G	93.8	Very high	91.6	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-59.5	-36.1	-179.1	0	0	0	0	0	113.3	F1312 D1338 F1343 A1344	F1312-G1340 WeakPolarHBondContact CE2-O 3.26Å; F1312-G1340 WeakPolarHBondContact CZ-O 3.39Å; D1338-G1340 PolarHBondContact OD1-N 3.47Å; G1340-F1343 PolarHBondContact O-N 2.84Å; G1340-A1344 WeakPolarHBondContact O-CB 3.31Å; G1340-A1344 PolarHBondContact O-N 3.14Å
1341	I	94.4	Very high	91.8	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-71	-26.3	173.4	62.4	170.9	0	0	0	113.6	L793 R1273 F1276 L1277 L1280 L1308 D1338 F1339 L1345	L793-I1341 HydrophobicContact CD1-CD1 3.97Å; L793-I1341 HydrophobicContact CD2-CD1 3.75Å; R1273-I1341 HydrophobicContact CB-CG2 4.15Å; F1276-I1341 HydrophobicContact CB-CD1 3.69Å; F1276-I1341 HydrophobicContact CG-CD1 4.49Å; L1277-I1341 WeakPolarHBondContact CD1-O 3.26Å; L1280-I1341 HydrophobicContact CD1-CB 4.34Å; L1280-I1341 HydrophobicContact CD1-CD1 3.72Å; L1280-I1341 HydrophobicContact CD1-CG1 3.96Å; L1308-I1341 HydrophobicContact CD1-CG2 4.17Å; L1308-I1341 HydrophobicContact CD2-CG2 4.01Å; D1338-I1341 HydrophobicContact CB-CG1 4.44Å; D1338-I1341 WeakPolarHBondContact O-CG1 3.17Å; D1338-I1341 PolarHBondContact OD1-N 3.31Å; D1338-I1341 VanDerWaalsContact OD1-N 3.1Å; F1339-I1341 VanDerWaalsContact C-N 3.3Å; F1339-I1341 PolarHBondContact O-N 3.06Å; I1341-L1345 PolarHBondContact O-N 3.41Å
1342	F	95.9	Very high	92.1	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-76.8	-35.6	173.5	-65.2	-90.7	0	0	0	111.4	V794 L1280 T1336 D1338 F1339 L1345 A1346 A1385 F1388 V1389 L1392	V794-F1342 HydrophobicContact CG2-CE1 4.4Å; V794-F1342 HydrophobicContact CG2-CE2 4.23Å; V794-F1342 HydrophobicContact CG2-CZ 3.58Å; L1280-F1342 HydrophobicContact CD1-CD1 4.36Å; L1280-F1342 HydrophobicContact CD1-CE1 4.14Å; L1280-F1342 HydrophobicContact CD1-CZ 4.24Å; L1280-F1342 HydrophobicContact CD2-CE1 4.02Å; L1280-F1342 HydrophobicContact CD2-CZ 4.28Å; T1336-F1342 HydrophobicContact CG2-CD2 4.04Å; T1336-F1342 HydrophobicContact CG2-CE2 4.02Å; D1338-F1342 WeakPolarHBondContact O-CD2 3.35Å; F1339-F1342 WeakPolarHBondContact O-CB 3.27Å; F1339-F1342 PolarHBondContact O-N 3.3Å; F1342-L1345 PolarHBondContact O-N 3.04Å; F1342-A1346 WeakPolarHBondContact O-CB 3.47Å; F1342-A1346 PolarHBondContact O-N 3.32Å; F1342-A1385 HydrophobicContact CB-CB 4.42Å; F1342-F1388 HydrophobicContact CD1-CB 4.04Å; F1342-V1389 HydrophobicContact CB-CG2 4Å; F1342-V1389 HydrophobicContact CD1-CG2 3.58Å; F1342-V1389 HydrophobicContact CD2-CG2 3.93Å; F1342-V1389 HydrophobicContact CE1-CG2 4Å; F1342-V1389 HydrophobicContact CE2-CG2 4.32Å; F1342-V1389 HydrophobicContact CG-CG2 3.55Å; F1342-V1389 HydrophobicContact CZ-CG2 4.36Å; F1342-L1392 HydrophobicContact CE1-CD2 3.86Å; F1342-L1392 HydrophobicContact CZ-CD2 3.83Å
1343	F	97.1	Very high	92.3	Very high	2 Å²	2	20.7 Å²	20.7	1%	0.009	9%	0.094	C	C	.	.	H	α-helix	trans	-68.2	-35.6	170.6	-160	-99.4	0	0	0	111.8	F1312 L1316 V1324 F1339 G1340 A1346 L1347 L1381 L1382 A1385	F1312-F1343 HydrophobicContact CB-CE1 4.47Å; F1312-F1343 AromaticContact CD1-CD1 3.7Å; F1312-F1343 HydrophobicContact CD1-CD1 3.7Å; F1312-F1343 AromaticContact CD1-CE1 3.98Å; F1312-F1343 HydrophobicContact CD1-CE1 3.98Å; F1312-F1343 AromaticContact CD2-CD1 3.73Å; F1312-F1343 HydrophobicContact CD2-CD1 3.73Å; F1312-F1343 HydrophobicContact CD2-CE1 4.37Å; F1312-F1343 AromaticContact CE1-CD1 3.65Å; F1312-F1343 HydrophobicContact CE1-CD1 3.65Å; F1312-F1343 HydrophobicContact CE1-CE1 4.32Å; F1312-F1343 HydrophobicContact CE2-CB 4.02Å; F1312-F1343 AromaticContact CE2-CD1 3.73Å; F1312-F1343 HydrophobicContact CE2-CD1 3.73Å; F1312-F1343 HydrophobicContact CE2-CG 4.33Å; F1312-F1343 AromaticContact CG-CD1 3.74Å; F1312-F1343 HydrophobicContact CG-CD1 3.74Å; F1312-F1343 HydrophobicContact CG-CE1 4.01Å; F1312-F1343 HydrophobicContact CZ-CB 4.07Å; F1312-F1343 AromaticContact CZ-CD1 3.7Å; F1312-F1343 HydrophobicContact CZ-CD1 3.7Å; F1312-F1343 HydrophobicContact CZ-CG 4.38Å; L1316-F1343 HydrophobicContact CD1-CE1 4.16Å; L1316-F1343 HydrophobicContact CD1-CZ 4.29Å; V1324-F1343 HydrophobicContact CG1-CD1 4.45Å; V1324-F1343 HydrophobicContact CG1-CE1 4.26Å; V1324-F1343 HydrophobicContact CG1-CE2 4.36Å; V1324-F1343 HydrophobicContact CG1-CZ 4.21Å; V1324-F1343 HydrophobicContact CG2-CE2 4.06Å; V1324-F1343 HydrophobicContact CG2-CZ 3.86Å; F1339-F1343 HydrophobicContact CE1-CD2 4.5Å; F1339-F1343 PolarHBondContact O-N 2.92Å; G1340-F1343 PolarHBondContact O-N 2.84Å; F1343-A1346 PolarHBondContact O-N 2.59Å; F1343-L1347 WeakPolarHBondContact O-CB 3.48Å; F1343-L1347 PolarHBondContact O-N 3.4Å; F1343-L1381 HydrophobicContact CD2-CB 4.36Å; F1343-L1381 HydrophobicContact CE2-CB 3.54Å; F1343-L1381 HydrophobicContact CZ-CB 3.71Å; F1343-L1381 HydrophobicContact CZ-CD1 4.11Å; F1343-L1382 HydrophobicContact CD2-CD2 3.88Å; F1343-L1382 HydrophobicContact CE2-CD2 3.73Å; F1343-L1382 HydrophobicContact CE2-CG 3.97Å; F1343-A1385 HydrophobicContact CB-CB 4.5Å; F1343-A1385 HydrophobicContact CD2-CB 4.21Å
1344	A	96.8	Very high	92.8	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-63.9	-40.5	170.8	0	0	0	0	0	112.3	L1277 W1307 L1308 F1312 G1340 L1347 I1348	L1277-A1344 HydrophobicContact CD1-CB 3.95Å; L1277-A1344 HydrophobicContact CD2-CB 3.8Å; W1307-A1344 HydrophobicContact CE3-CB 4.18Å; L1308-A1344 HydrophobicContact CD2-CB 4.19Å; F1312-A1344 HydrophobicContact CE1-CB 4.45Å; F1312-A1344 HydrophobicContact CZ-CB 3.91Å; G1340-A1344 WeakPolarHBondContact O-CB 3.31Å; G1340-A1344 PolarHBondContact O-N 3.14Å; A1344-L1347 PolarHBondContact O-N 2.93Å; A1344-I1348 VanDerWaalsContact O-CG1 3.31Å; A1344-I1348 WeakPolarHBondContact O-CG1 3.35Å; A1344-I1348 PolarHBondContact O-N 3.45Å; A1344-I1348 VanDerWaalsContact O-N 3.1Å
1345	L	96.3	Very high	93.4	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-63.7	-44.5	173.5	-178.4	69.8	0	0	0	111	L1277 L1280 I1281 F1284 I1341 F1342 L1347 I1348 E1349 F1388	L1277-L1345 HydrophobicContact CD1-CB 4.08Å; L1280-L1345 HydrophobicContact CB-CD2 4.13Å; I1281-L1345 HydrophobicContact CB-CD1 4.26Å; I1281-L1345 HydrophobicContact CG1-CD1 3.53Å; F1284-L1345 HydrophobicContact CB-CD2 4.37Å; F1284-L1345 HydrophobicContact CD2-CD2 3.69Å; F1284-L1345 HydrophobicContact CE2-CD2 4.36Å; F1284-L1345 HydrophobicContact CG-CD2 4.23Å; I1341-L1345 PolarHBondContact O-N 3.41Å; F1342-L1345 PolarHBondContact O-N 3.04Å; L1345-L1347 VanDerWaalsContact C-N 3.32Å; L1345-L1347 PolarHBondContact O-N 2.87Å; L1345-I1348 WeakPolarHBondContact O-CB 3.24Å; L1345-I1348 PolarHBondContact O-N 2.76Å; L1345-I1348 VanDerWaalsContact O-N 3.1Å; L1345-E1349 PolarHBondContact O-N 3.04Å; L1345-F1388 HydrophobicContact CB-CD2 4.32Å; L1345-F1388 HydrophobicContact CB-CE2 4.32Å; L1345-F1388 HydrophobicContact CD2-CB 4.11Å; L1345-F1388 HydrophobicContact CD2-CD1 3.87Å; L1345-F1388 HydrophobicContact CD2-CD2 3.46Å; L1345-F1388 VanDerWaalsContact CD2-CD2 3.46Å; L1345-F1388 HydrophobicContact CD2-CE1 4.04Å; L1345-F1388 HydrophobicContact CD2-CE2 3.61Å; L1345-F1388 HydrophobicContact CD2-CG 3.58Å; L1345-F1388 HydrophobicContact CD2-CZ 3.9Å; L1345-F1388 HydrophobicContact CG-CD2 3.79Å; L1345-F1388 HydrophobicContact CG-CE2 3.53Å; L1345-F1388 HydrophobicContact CG-CG 4.4Å; L1345-F1388 HydrophobicContact CG-CZ 3.97Å
1346	A	97.4	Very high	93.8	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-60.9	-40.2	176.4	0	0	0	0	0	112.6	F1342 F1343 I1348 E1349 Y1350 L1381 L1384 A1385	F1342-A1346 WeakPolarHBondContact O-CB 3.47Å; F1342-A1346 PolarHBondContact O-N 3.32Å; F1343-A1346 PolarHBondContact O-N 2.59Å; A1346-I1348 VanDerWaalsContact C-N 3.27Å; A1346-I1348 PolarHBondContact O-N 2.77Å; A1346-E1349 PolarHBondContact O-N 2.91Å; A1346-Y1350 VanDerWaalsContact O-CB 3.26Å; A1346-Y1350 WeakPolarHBondContact O-CB 3.28Å; A1346-Y1350 PolarHBondContact O-N 2.66Å; A1346-L1381 HydrophobicContact CB-CD2 4.21Å; A1346-L1381 WeakPolarHBondContact O-CD2 3.3Å; A1346-L1384 HydrophobicContact CB-CB 4.29Å; A1346-L1384 HydrophobicContact CB-CD2 3.67Å; A1346-A1385 HydrophobicContact CB-CB 3.92Å
1347	L	96.4	Very high	94	Very high	1 Å²	1	24.4 Å²	24.4	1%	0.005	11%	0.11	C	C	.	.	H	α-helix	trans	-67.9	-25	175.9	-166.9	66.5	0	0	0	112.9	W1307 F1312 F1343 A1344 L1345 Y1351 Y1369 H1376 L1381	W1307-L1347 HydrophobicContact CD2-CD2 3.92Å; W1307-L1347 HydrophobicContact CE3-CD2 3.95Å; W1307-L1347 HydrophobicContact CH2-CD2 3.84Å; W1307-L1347 HydrophobicContact CH2-CG 4.27Å; W1307-L1347 HydrophobicContact CZ2-CD2 3.79Å; W1307-L1347 HydrophobicContact CZ3-CB 4.46Å; W1307-L1347 HydrophobicContact CZ3-CD2 3.91Å; W1307-L1347 HydrophobicContact CZ3-CG 4.42Å; F1312-L1347 HydrophobicContact CD1-CD2 4.26Å; F1312-L1347 HydrophobicContact CE1-CD2 4.08Å; F1343-L1347 WeakPolarHBondContact O-CB 3.48Å; F1343-L1347 PolarHBondContact O-N 3.4Å; A1344-L1347 PolarHBondContact O-N 2.93Å; L1345-L1347 VanDerWaalsContact C-N 3.32Å; L1345-L1347 PolarHBondContact O-N 2.87Å; L1347-Y1351 HydrophobicContact CD1-CE2 3.99Å; L1347-Y1351 WeakPolarHBondContact O-CD2 3.27Å; L1347-Y1369 HydrophobicContact CD1-CE1 4.33Å; L1347-Y1369 HydrophobicContact CD2-CE1 4.33Å; L1347-Y1369 HydrophobicContact CG-CD1 4.47Å; L1347-Y1369 HydrophobicContact CG-CE1 3.84Å; L1347-Y1369 PolarHBondContact O-OH 3Å; L1347-H1376 HydrophobicContact CD1-CB 4.45Å; L1347-L1381 HydrophobicContact CB-CD2 4.35Å; L1347-L1381 HydrophobicContact CD1-CD1 3.66Å; L1347-L1381 HydrophobicContact CD1-CD2 4.1Å
1348	I	95.5	Very high	94.4	Very high	3 Å²	3	24.8 Å²	24.8	2%	0.015	11%	0.111	C	C	.	.	H	α-helix	trans	-79.2	-45.7	172.2	-71.5	168.6	0	0	0	110.8	L1277 I1281 M1288 F1303 W1307 A1344 L1345 A1346 Y1351 R1352	L1277-I1348 HydrophobicContact CD2-CD1 4.38Å; I1281-I1348 HydrophobicContact CD1-CD1 3.76Å; M1288-I1348 HydrophobicContact CE-CG2 3.81Å; M1288-I1348 HydrophobicContact CG-CG2 4.01Å; F1303-I1348 HydrophobicContact CE2-CD1 3.98Å; F1303-I1348 HydrophobicContact CE2-CG1 4.2Å; F1303-I1348 HydrophobicContact CZ-CD1 4.13Å; W1307-I1348 HydrophobicContact CH2-CG1 4.4Å; W1307-I1348 HydrophobicContact CZ3-CD1 4.39Å; W1307-I1348 HydrophobicContact CZ3-CG1 4.11Å; A1344-I1348 VanDerWaalsContact O-CG1 3.31Å; A1344-I1348 WeakPolarHBondContact O-CG1 3.35Å; A1344-I1348 PolarHBondContact O-N 3.45Å; A1344-I1348 VanDerWaalsContact O-N 3.1Å; L1345-I1348 WeakPolarHBondContact O-CB 3.24Å; L1345-I1348 PolarHBondContact O-N 2.76Å; L1345-I1348 VanDerWaalsContact O-N 3.1Å; A1346-I1348 VanDerWaalsContact C-N 3.27Å; A1346-I1348 PolarHBondContact O-N 2.77Å; I1348-Y1351 PolarHBondContact O-N 2.75Å; I1348-R1352 PolarHBondContact O-N 3.15Å
1349	E	95.6	Very high	94.5	Very high	54 Å²	54	28 Å²	28	25%	0.252	13%	0.128	S	C	.	.	H	α-helix	trans	-64.5	-42.5	-179.6	-164.3	69.5	-167.5	0	0	111.9	L1345 A1346 Y1351 R1352 L1384 F1388	L1345-E1349 PolarHBondContact O-N 3.04Å; A1346-E1349 PolarHBondContact O-N 2.91Å; E1349-Y1351 PolarHBondContact O-N 3.49Å; E1349-Y1351 VanDerWaalsContact O-N 3.16Å; E1349-R1352 WeakPolarHBondContact O-CB 3.4Å; E1349-R1352 PolarHBondContact O-N 2.63Å; E1349-R1352 IonicContact OE1-NE 3.73Å; E1349-L1384 HydrophobicContact CB-CD2 3.99Å; E1349-L1384 HydrophobicContact CG-CD2 4.25Å; E1349-F1388 HydrophobicContact CB-CE2 4.08Å; E1349-F1388 HydrophobicContact CB-CZ 3.97Å; E1349-F1388 HydrophobicContact CG-CE2 4.42Å; E1349-F1388 HydrophobicContact CG-CZ 3.87Å
1350	Y	95.9	Very high	94.3	Very high	95 Å²	95	28.8 Å²	28.8	37%	0.373	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-28.8	-177.5	-172.6	-83.7	0	0	0	113.4	A1346 T1380 L1381	A1346-Y1350 VanDerWaalsContact O-CB 3.26Å; A1346-Y1350 WeakPolarHBondContact O-CB 3.28Å; A1346-Y1350 PolarHBondContact O-N 2.66Å; Y1350-T1380 HydrophobicContact CD2-CG2 4.11Å; Y1350-T1380 HydrophobicContact CE2-CG2 3.76Å; Y1350-L1381 HydrophobicContact CD2-CD2 4.23Å; Y1350-L1381 HydrophobicContact CG-CD2 4.06Å
1351	Y	95.6	Very high	94	Very high	21 Å²	21	31.5 Å²	31.5	8%	0.082	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.7	11.3	176.7	-58.7	-72.3	0	0	0	113.4	L1347 I1348 E1349 D1353 I1354 I1355 F1368 Y1369 L1372 H1376	L1347-Y1351 HydrophobicContact CD1-CE2 3.99Å; L1347-Y1351 WeakPolarHBondContact O-CD2 3.27Å; I1348-Y1351 PolarHBondContact O-N 2.75Å; E1349-Y1351 PolarHBondContact O-N 3.49Å; E1349-Y1351 VanDerWaalsContact O-N 3.16Å; Y1351-D1353 PolarHBondContact O-N 3.35Å; Y1351-I1354 HydrophobicContact CD1-CD1 4.3Å; Y1351-I1354 PolarHBondContact O-N 2.97Å; Y1351-I1355 WeakPolarHBondContact O-CG1 3.43Å; Y1351-I1355 PolarHBondContact O-N 2.87Å; Y1351-F1368 HydrophobicContact CD1-CE1 4.02Å; Y1351-F1368 AromaticContact CD1-CZ 3.67Å; Y1351-F1368 HydrophobicContact CD1-CZ 3.67Å; Y1351-F1368 HydrophobicContact CD2-CE1 4.26Å; Y1351-F1368 HydrophobicContact CE1-CZ 4.37Å; Y1351-F1368 AromaticContact CG-CE1 3.71Å; Y1351-F1368 HydrophobicContact CG-CE1 3.71Å; Y1351-F1368 AromaticContact CG-CZ 3.86Å; Y1351-F1368 HydrophobicContact CG-CZ 3.86Å; Y1351-Y1369 AromaticContact CD2-CE1 3.62Å; Y1351-Y1369 HydrophobicContact CD2-CE1 3.62Å; Y1351-Y1369 HydrophobicContact CE2-CE1 4.06Å; Y1351-L1372 HydrophobicContact CD1-CD1 4.16Å; Y1351-L1372 HydrophobicContact CE1-CD1 3.71Å; Y1351-L1372 HydrophobicContact CE2-CD1 4.29Å; Y1351-H1376 AromaticContact CE2-CE1 3.78Å; Y1351-H1376 AromaticContact CE2-ND1 3.53Å; Y1351-H1376 AromaticContact CZ-ND1 3.63Å; Y1351-H1376 PolarHBondContact OH-ND1 3.32Å
1352	R	94.2	Very high	93.7	Very high	41 Å²	41	33.2 Å²	33.2	16%	0.155	16%	0.156	C	C	.	.	H	α-helix	trans	-45.5	-58.5	-178.7	175.5	-161.7	-163.6	-75.1	-15.8	113.1	D1285 E1287 M1288 I1348 E1349 I1354 I1355 I1356	D1285-R1352 VanDerWaalsContact CG-NH2 3.32Å; D1285-R1352 IonicContact OD1-CZ 2.69Å; D1285-R1352 IonicContact OD1-NE 3.94Å; D1285-R1352 IonicContact OD1-NH2 2.87Å; D1285-R1352 PolarHBondContact OD1-NH2 2.88Å; D1285-R1352 IonicContact OD2-CZ 3.23Å; D1285-R1352 VanDerWaalsContact OD2-CZ 3.25Å; D1285-R1352 IonicContact OD2-NE 2.7Å; D1285-R1352 PolarHBondContact OD2-NE 3.36Å; D1285-R1352 IonicContact OD2-NH2 3.05Å; D1285-R1352 PolarHBondContact OD2-NH2 3.2Å; D1285-R1352 VanDerWaalsContact OD2-NH2 3.09Å; E1287-R1352 IonicContact OE2-CZ 3.6Å; E1287-R1352 IonicContact OE2-NH1 3.64Å; E1287-R1352 PolarHBondContact OE2-NH1 2.9Å; E1287-R1352 IonicContact OE2-NH2 3.26Å; E1287-R1352 PolarHBondContact OE2-NH2 3.2Å; M1288-R1352 HydrophobicContact CE-CB 4.49Å; I1348-R1352 PolarHBondContact O-N 3.15Å; E1349-R1352 WeakPolarHBondContact O-CB 3.4Å; E1349-R1352 PolarHBondContact O-N 2.63Å; E1349-R1352 IonicContact OE1-NE 3.73Å; R1352-I1354 VanDerWaalsContact C-N 3.26Å; R1352-I1354 PolarHBondContact O-N 3.5Å; R1352-I1355 PolarHBondContact O-N 3.43Å; R1352-I1356 HydrophobicContact CG-CD1 3.84Å; R1352-I1356 WeakPolarHBondContact O-CG1 3.28Å; R1352-I1356 PolarHBondContact O-N 2.77Å
1353	D	92.2	Very high	93.3	Very high	112 Å²	112	37.1 Å²	37.1	60%	0.599	18%	0.179	S	C	*	.	H	α-helix	trans	-63.6	-34.4	-173	-71.3	-10.8	0	0	0	111.4	Y1351 Y1357	Y1351-D1353 PolarHBondContact O-N 3.35Å; D1353-Y1357 WeakPolarHBondContact O-CA 3.22Å; D1353-Y1357 WeakPolarHBondContact O-CB 3.26Å; D1353-Y1357 PolarHBondContact O-N 3.25Å
1354	I	93.2	Very high	93.1	Very high	31 Å²	31	40.7 Å²	40.7	16%	0.159	20%	0.196	C	C	.	.	H	α-helix	trans	-67.1	-48.8	176	-66.4	172.5	0	0	0	110.3	D223 Y1351 R1352 I1356 Y1357 Y1358 M1360 F1368	D223-I1354 WeakPolarHBondContact OD2-CD1 3.47Å; Y1351-I1354 HydrophobicContact CD1-CD1 4.3Å; Y1351-I1354 PolarHBondContact O-N 2.97Å; R1352-I1354 VanDerWaalsContact C-N 3.26Å; R1352-I1354 PolarHBondContact O-N 3.5Å; I1354-I1356 PolarHBondContact O-N 3.26Å; I1354-Y1357 PolarHBondContact O-N 3.13Å; I1354-Y1358 HydrophobicContact CG2-CD2 3.84Å; I1354-Y1358 HydrophobicContact CG2-CE2 4.03Å; I1354-Y1358 WeakPolarHBondContact O-CD2 3.26Å; I1354-Y1358 PolarHBondContact O-N 3.33Å; I1354-M1360 HydrophobicContact CG2-CE 3.83Å; I1354-F1368 HydrophobicContact CB-CZ 4.44Å; I1354-F1368 HydrophobicContact CD1-CZ 4.45Å; I1354-F1368 HydrophobicContact CG2-CE2 3.72Å; I1354-F1368 HydrophobicContact CG2-CZ 3.82Å
1355	I	93	Very high	92.8	Very high	3 Å²	3	40.7 Å²	40.7	2%	0.015	20%	0.196	C	C	.	.	H	α-helix	trans	-62.7	-42.9	-179.2	-68.5	165.5	0	0	0	111.2	M1288 Y1351 R1352 N1359 M1360 I1365 F1368 Y1369	M1288-I1355 HydrophobicContact CE-CB 3.88Å; M1288-I1355 HydrophobicContact CE-CD1 3.88Å; M1288-I1355 HydrophobicContact CE-CG1 4.5Å; M1288-I1355 HydrophobicContact CE-CG2 3.7Å; M1288-I1355 HydrophobicContact SD-CG2 4.03Å; Y1351-I1355 WeakPolarHBondContact O-CG1 3.43Å; Y1351-I1355 PolarHBondContact O-N 2.87Å; R1352-I1355 PolarHBondContact O-N 3.43Å; I1355-N1359 WeakPolarHBondContact O-CA 3.38Å; I1355-N1359 PolarHBondContact O-N 3.36Å; I1355-N1359 VanDerWaalsContact O-N 3.13Å; I1355-M1360 HydrophobicContact CG1-SD 4.14Å; I1355-M1360 HydrophobicContact CG2-CB 4.4Å; I1355-M1360 PolarHBondContact O-N 3.39Å; I1355-I1365 HydrophobicContact CG2-CD1 3.91Å; I1355-I1365 HydrophobicContact CG2-CG1 4.01Å; I1355-F1368 HydrophobicContact CG1-CE1 4.4Å; I1355-Y1369 HydrophobicContact CD1-CE2 3.97Å
1356	I	92.8	Very high	92.5	Very high	35 Å²	35	42.5 Å²	42.5	18%	0.179	21%	0.205	C	C	.	.	H	α-helix	trans	-73.7	-42.6	179.1	-64.8	175.6	0	0	0	111.4	E1287 M1288 H1291 R1352 I1354 N1359	E1287-I1356 HydrophobicContact CG-CD1 4.27Å; M1288-I1356 HydrophobicContact CB-CD1 4.26Å; M1288-I1356 HydrophobicContact SD-CD1 4.45Å; M1288-I1356 HydrophobicContact SD-CG1 4.19Å; H1291-I1356 HydrophobicContact CB-CG1 4.47Å; R1352-I1356 HydrophobicContact CG-CD1 3.84Å; R1352-I1356 WeakPolarHBondContact O-CG1 3.28Å; R1352-I1356 PolarHBondContact O-N 2.77Å; I1354-I1356 PolarHBondContact O-N 3.26Å; I1356-N1359 WeakPolarHBondContact O-CA 3.39Å; I1356-N1359 PolarHBondContact O-N 2.84Å
1357	Y	91.8	Very high	92.2	Very high	66 Å²	66	48.7 Å²	48.7	26%	0.259	23%	0.229	S	C	.	.	H	α-helix	trans	-64.1	-45.1	-179.1	178.8	-100	0	0	0	112.6	Y39 H224 D1353 I1354 N1359	Y39-Y1357 HydrophobicContact CE1-CD2 4.28Å; Y39-Y1357 WeakPolarHBondContact OH-CD2 3.29Å; Y39-Y1357 WeakPolarHBondContact OH-CE2 3.44Å; H224-Y1357 AromaticContact CE1-CZ 3.74Å; H224-Y1357 PolarHBondContact CE1-OH 2.95Å; H224-Y1357 VanDerWaalsContact CE1-OH 3.29Å; D1353-Y1357 WeakPolarHBondContact O-CA 3.22Å; D1353-Y1357 WeakPolarHBondContact O-CB 3.26Å; D1353-Y1357 PolarHBondContact O-N 3.25Å; I1354-Y1357 PolarHBondContact O-N 3.13Å; Y1357-N1359 PolarHBondContact O-N 2.68Å
1358	Y	92.3	Very high	92	Very high	49 Å²	49	50 Å²	50	19%	0.192	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-2.8	171.6	-63.4	-61	0	0	0	112.8	D223 H224 F226 I1354 M1360	D223-Y1358 HydrophobicContact CB-CE2 3.66Å; D223-Y1358 WeakPolarHBondContact CB-OH 3.4Å; D223-Y1358 PolarHBondContact O-OH 3.37Å; D223-Y1358 VanDerWaalsContact O-OH 3.1Å; H224-Y1358 PolarHBondContact N-OH 3.32Å; F226-Y1358 HydrophobicContact CB-CD1 4.16Å; F226-Y1358 HydrophobicContact CB-CE1 3.79Å; F226-Y1358 WeakPolarHBondContact O-CD1 3.48Å; F226-Y1358 WeakPolarHBondContact O-CE1 3.47Å; I1354-Y1358 HydrophobicContact CG2-CD2 3.84Å; I1354-Y1358 HydrophobicContact CG2-CE2 4.03Å; I1354-Y1358 WeakPolarHBondContact O-CD2 3.26Å; I1354-Y1358 PolarHBondContact O-N 3.33Å; Y1358-M1360 HydrophobicContact CD2-CE 3.97Å; Y1358-M1360 HydrophobicContact CG-CE 4.34Å; Y1358-M1360 PolarHBondContact O-N 3.06Å
1359	N	90.9	Very high	91.9	Very high	74 Å²	74	50.1 Å²	50.1	40%	0.396	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.3	51.2	178.9	168.6	53.6	0	0	0	109.7	H1291 K1295 I1355 I1356 Y1357	H1291-N1359 PolarHBondContact CE1-OD1 3.01Å; H1291-N1359 WeakPolarHBondContact NE2-CA 3.3Å; H1291-N1359 WeakPolarHBondContact NE2-CB 3.49Å; H1291-N1359 VanDerWaalsContact NE2-CG 3.25Å; H1291-N1359 PolarHBondContact NE2-O 2.78Å; H1291-N1359 PolarHBondContact NE2-OD1 3.01Å; K1295-N1359 WeakPolarHBondContact CE-O 3.46Å; K1295-N1359 WeakPolarHBondContact CE-OD1 3.39Å; K1295-N1359 PolarHBondContact NZ-O 3.03Å; I1355-N1359 WeakPolarHBondContact O-CA 3.38Å; I1355-N1359 PolarHBondContact O-N 3.36Å; I1355-N1359 VanDerWaalsContact O-N 3.13Å; I1356-N1359 WeakPolarHBondContact O-CA 3.39Å; I1356-N1359 PolarHBondContact O-N 2.84Å; Y1357-N1359 PolarHBondContact O-N 2.68Å
1360	M	89.4	Confident	91.6	Very high	18 Å²	18	49 Å²	49	9%	0.089	23%	0.23	C	C	.	.			trans	-64.4	152.2	-168.3	-64.6	-171.1	-176.2	0	0	112.7	H1291 K1295 I1354 I1355 Y1358 E1364 I1365 F1368	H1291-M1360 PolarHBondContact NE2-N 3.39Å; H1291-M1360 VanDerWaalsContact NE2-N 3.14Å; H1291-M1360 PolarHBondContact NE2-O 2.97Å; K1295-M1360 WeakPolarHBondContact CG-O 3.43Å; K1295-M1360 PolarHBondContact NZ-O 3.18Å; I1354-M1360 HydrophobicContact CG2-CE 3.83Å; I1355-M1360 HydrophobicContact CG1-SD 4.14Å; I1355-M1360 HydrophobicContact CG2-CB 4.4Å; I1355-M1360 PolarHBondContact O-N 3.39Å; Y1358-M1360 HydrophobicContact CD2-CE 3.97Å; Y1358-M1360 HydrophobicContact CG-CE 4.34Å; Y1358-M1360 PolarHBondContact O-N 3.06Å; M1360-E1364 WeakPolarHBondContact CA-OE2 3.49Å; M1360-E1364 HydrophobicContact CB-CB 3.93Å; M1360-E1364 HydrophobicContact CG-CB 4.24Å; M1360-I1365 HydrophobicContact CB-CD1 4.43Å; M1360-I1365 HydrophobicContact CB-CG1 3.77Å; M1360-I1365 HydrophobicContact SD-CG1 4.39Å; M1360-F1368 HydrophobicContact CE-CD2 4.09Å; M1360-F1368 HydrophobicContact CE-CE2 4.49Å; M1360-F1368 HydrophobicContact CE-CG 4.33Å; M1360-F1368 HydrophobicContact SD-CB 4.28Å; M1360-F1368 HydrophobicContact SD-CG 4.39Å
1361	D	88.3	Confident	91.4	Very high	56 Å²	56	50.4 Å²	50.4	30%	0.299	24%	0.24	S	C	.	.			trans	-93.3	172.6	162.9	84.8	31.7	0	0	0	112.9	T1363 E1364 I1365	D1361-T1363 PolarHBondContact O-N 3.39Å; D1361-T1363 VanDerWaalsContact OD1-CA 3.31Å; D1361-T1363 WeakPolarHBondContact OD1-CA 3.43Å; D1361-T1363 WeakPolarHBondContact OD1-CB 3.47Å; D1361-T1363 PolarHBondContact OD1-N 2.96Å; D1361-T1363 PolarHBondContact OD1-OG1 3.45Å; D1361-E1364 PolarHBondContact N-OE2 3.38Å; D1361-E1364 PolarHBondContact O-N 2.89Å; D1361-E1364 PolarHBondContact OD1-N 3.43Å; D1361-I1365 WeakPolarHBondContact O-CG1 3.31Å; D1361-I1365 PolarHBondContact O-N 3.41Å
1362	I	87.4	Confident	91.2	Very high	37 Å²	37	51.1 Å²	51.1	19%	0.19	25%	0.245	C	C	.	.	H	α-helix	trans	-55.2	-34.2	-178.7	-165.1	-178.4	0	0	0	113.2	V1296 I1366	V1296-I1362 HydrophobicContact CG1-CD1 3.78Å; V1296-I1362 HydrophobicContact CG1-CG1 4.33Å; V1296-I1362 HydrophobicContact CG2-CB 4.21Å; V1296-I1362 HydrophobicContact CG2-CG1 4.31Å; I1362-I1366 HydrophobicContact CG1-CD1 4.07Å; I1362-I1366 WeakPolarHBondContact O-CB 3.22Å; I1362-I1366 WeakPolarHBondContact O-CD1 3.35Å; I1362-I1366 WeakPolarHBondContact O-CG1 3.32Å; I1362-I1366 PolarHBondContact O-N 3.14Å
1363	T	88	Confident	91	Very high	81 Å²	81	50.1 Å²	50.1	50%	0.497	24%	0.244	S	C	.	.	H	α-helix	trans	-71.5	-37.8	178.8	-29.7	0	0	0	0	111.2	D1361 R1367	D1361-T1363 PolarHBondContact O-N 3.39Å; D1361-T1363 VanDerWaalsContact OD1-CA 3.31Å; D1361-T1363 WeakPolarHBondContact OD1-CA 3.43Å; D1361-T1363 WeakPolarHBondContact OD1-CB 3.47Å; D1361-T1363 PolarHBondContact OD1-N 2.96Å; D1361-T1363 PolarHBondContact OD1-OG1 3.45Å; T1363-R1367 WeakPolarHBondContact O-CB 3.34Å; T1363-R1367 PolarHBondContact O-N 3.32Å
1364	E	91.7	Very high	90.9	Very high	77 Å²	77	49.1 Å²	49.1	36%	0.36	24%	0.236	S	C	.	.	H	α-helix	trans	-72.7	-42.9	178.3	-65.4	172.2	143.5	0	0	110.7	M1360 D1361 R1367 F1368	M1360-E1364 WeakPolarHBondContact CA-OE2 3.49Å; M1360-E1364 HydrophobicContact CB-CB 3.93Å; M1360-E1364 HydrophobicContact CG-CB 4.24Å; D1361-E1364 PolarHBondContact N-OE2 3.38Å; D1361-E1364 PolarHBondContact O-N 2.89Å; D1361-E1364 PolarHBondContact OD1-N 3.43Å; E1364-R1367 PolarHBondContact O-N 3.33Å; E1364-F1368 VanDerWaalsContact O-CB 3.29Å; E1364-F1368 WeakPolarHBondContact O-CB 3.42Å; E1364-F1368 PolarHBondContact O-N 3.09Å
1365	I	91.7	Very high	90.8	Very high	1 Å²	1	53.7 Å²	53.7	1%	0.005	26%	0.257	C	S	.	.	H	α-helix	trans	-58.4	-47.5	170.7	-66.8	168.9	0	0	0	110.6	L1292 F1303 I1355 M1360 D1361 R1367 F1368 Y1369	L1292-I1365 HydrophobicContact CD2-CD1 3.84Å; F1303-I1365 HydrophobicContact CB-CG2 4.38Å; F1303-I1365 HydrophobicContact CD1-CG2 4.19Å; F1303-I1365 HydrophobicContact CD2-CG2 4.04Å; F1303-I1365 HydrophobicContact CE1-CG2 4.46Å; F1303-I1365 HydrophobicContact CE2-CG2 4.32Å; F1303-I1365 HydrophobicContact CG-CG2 3.97Å; I1355-I1365 HydrophobicContact CG2-CD1 3.91Å; I1355-I1365 HydrophobicContact CG2-CG1 4.01Å; M1360-I1365 HydrophobicContact CB-CD1 4.43Å; M1360-I1365 HydrophobicContact CB-CG1 3.77Å; M1360-I1365 HydrophobicContact SD-CG1 4.39Å; D1361-I1365 WeakPolarHBondContact O-CG1 3.31Å; D1361-I1365 PolarHBondContact O-N 3.41Å; I1365-R1367 VanDerWaalsContact C-N 3.32Å; I1365-R1367 PolarHBondContact O-N 2.92Å; I1365-F1368 PolarHBondContact O-N 2.72Å; I1365-Y1369 HydrophobicContact CG2-CD2 3.87Å; I1365-Y1369 HydrophobicContact CG2-CE2 3.87Å; I1365-Y1369 WeakPolarHBondContact O-CD2 3.38Å; I1365-Y1369 PolarHBondContact O-N 2.88Å; I1365-Y1369 VanDerWaalsContact O-N 3.15Å
1366	I	89.6	Confident	90.8	Very high	37 Å²	37	54 Å²	54	19%	0.19	26%	0.258	C	S	.	.	H	α-helix	trans	-60.4	-41.5	176.2	-73.8	167.2	0	0	0	111	F1303 I1362 N1370	F1303-I1366 HydrophobicContact CB-CD1 4.31Å; F1303-I1366 HydrophobicContact CB-CG1 3.55Å; I1362-I1366 HydrophobicContact CG1-CD1 4.07Å; I1362-I1366 WeakPolarHBondContact O-CB 3.22Å; I1362-I1366 WeakPolarHBondContact O-CD1 3.35Å; I1362-I1366 WeakPolarHBondContact O-CG1 3.32Å; I1362-I1366 PolarHBondContact O-N 3.14Å; I1366-N1370 WeakPolarHBondContact O-CB 3.38Å; I1366-N1370 PolarHBondContact O-N 3.41Å; I1366-N1370 PolarHBondContact O-ND2 3.47Å
1367	R	89.6	Confident	90.8	Very high	131 Å²	131	55.2 Å²	55.2	49%	0.494	27%	0.265	S	S	.	.	H	α-helix	trans	-64.4	-50.6	177.5	-171.4	-172.9	-56	124.5	8.5	111.1	T1363 E1364 I1365 Y1369 N1370 E1371	T1363-R1367 WeakPolarHBondContact O-CB 3.34Å; T1363-R1367 PolarHBondContact O-N 3.32Å; E1364-R1367 PolarHBondContact O-N 3.33Å; I1365-R1367 VanDerWaalsContact C-N 3.32Å; I1365-R1367 PolarHBondContact O-N 2.92Å; R1367-Y1369 PolarHBondContact O-N 3.47Å; R1367-N1370 CarbonylContact O-C 3.52Å; R1367-N1370 WeakPolarHBondContact O-CA 3.17Å; R1367-N1370 WeakPolarHBondContact O-CB 3.45Å; R1367-N1370 PolarHBondContact O-N 3Å; R1367-E1371 VanDerWaalsContact CD-OE1 3.26Å; R1367-E1371 WeakPolarHBondContact CD-OE1 3.19Å; R1367-E1371 HydrophobicContact CG-CG 4.38Å; R1367-E1371 WeakPolarHBondContact CG-OE1 3.31Å; R1367-E1371 WeakPolarHBondContact O-CG 3.06Å; R1367-E1371 PolarHBondContact O-N 3.19Å
1368	F	93.7	Very high	90.9	Very high	29 Å²	29	54.7 Å²	54.7	13%	0.127	26%	0.263	C	S	.	.	H	α-helix	trans	-52.5	-52.3	-178.6	175	-104	0	0	0	112.5	Y1351 I1354 I1355 M1360 E1364 I1365 N1370 E1371 L1372	Y1351-F1368 HydrophobicContact CD1-CE1 4.02Å; Y1351-F1368 AromaticContact CD1-CZ 3.67Å; Y1351-F1368 HydrophobicContact CD1-CZ 3.67Å; Y1351-F1368 HydrophobicContact CD2-CE1 4.26Å; Y1351-F1368 HydrophobicContact CE1-CZ 4.37Å; Y1351-F1368 AromaticContact CG-CE1 3.71Å; Y1351-F1368 HydrophobicContact CG-CE1 3.71Å; Y1351-F1368 AromaticContact CG-CZ 3.86Å; Y1351-F1368 HydrophobicContact CG-CZ 3.86Å; I1354-F1368 HydrophobicContact CB-CZ 4.44Å; I1354-F1368 HydrophobicContact CD1-CZ 4.45Å; I1354-F1368 HydrophobicContact CG2-CE2 3.72Å; I1354-F1368 HydrophobicContact CG2-CZ 3.82Å; I1355-F1368 HydrophobicContact CG1-CE1 4.4Å; M1360-F1368 HydrophobicContact CE-CD2 4.09Å; M1360-F1368 HydrophobicContact CE-CE2 4.49Å; M1360-F1368 HydrophobicContact CE-CG 4.33Å; M1360-F1368 HydrophobicContact SD-CB 4.28Å; M1360-F1368 HydrophobicContact SD-CG 4.39Å; E1364-F1368 VanDerWaalsContact O-CB 3.29Å; E1364-F1368 WeakPolarHBondContact O-CB 3.42Å; E1364-F1368 PolarHBondContact O-N 3.09Å; I1365-F1368 PolarHBondContact O-N 2.72Å; F1368-N1370 VanDerWaalsContact C-N 3.33Å; F1368-N1370 PolarHBondContact O-N 2.71Å; F1368-E1371 PolarHBondContact O-N 3.08Å; F1368-E1371 VanDerWaalsContact O-N 3.13Å; F1368-L1372 HydrophobicContact CD1-CD1 4.1Å; F1368-L1372 HydrophobicContact CD2-CD1 4.15Å; F1368-L1372 HydrophobicContact CE1-CD1 3.6Å; F1368-L1372 HydrophobicContact CE2-CD1 3.66Å; F1368-L1372 HydrophobicContact CG-CD1 4.36Å; F1368-L1372 HydrophobicContact CZ-CD1 3.37Å; F1368-L1372 PolarHBondContact O-N 3.02Å
1369	Y	93.9	Very high	91	Very high	5 Å²	5	55.5 Å²	55.5	2%	0.02	27%	0.273	C	S	.	.	H	α-helix	trans	-70	-25.5	176.7	-73.1	-72.8	0	0	0	114	W1307 L1347 Y1351 I1355 I1365 R1367 E1371 T1373	W1307-Y1369 HydrophobicContact CH2-CD1 4.14Å; W1307-Y1369 HydrophobicContact CH2-CD2 4Å; W1307-Y1369 AromaticContact CH2-CE1 3.95Å; W1307-Y1369 HydrophobicContact CH2-CE1 3.95Å; W1307-Y1369 AromaticContact CH2-CE2 3.8Å; W1307-Y1369 HydrophobicContact CH2-CE2 3.8Å; W1307-Y1369 HydrophobicContact CH2-CG 4.18Å; W1307-Y1369 AromaticContact CH2-CZ 3.76Å; W1307-Y1369 AromaticContact CZ2-CD1 3.69Å; W1307-Y1369 HydrophobicContact CZ2-CD1 3.69Å; W1307-Y1369 AromaticContact CZ2-CD2 3.75Å; W1307-Y1369 HydrophobicContact CZ2-CD2 3.75Å; W1307-Y1369 AromaticContact CZ2-CE1 3.98Å; W1307-Y1369 HydrophobicContact CZ2-CE1 3.98Å; W1307-Y1369 HydrophobicContact CZ2-CE2 4.04Å; W1307-Y1369 AromaticContact CZ2-CG 3.57Å; W1307-Y1369 HydrophobicContact CZ2-CG 3.57Å; L1347-Y1369 HydrophobicContact CD1-CE1 4.33Å; L1347-Y1369 HydrophobicContact CD2-CE1 4.33Å; L1347-Y1369 HydrophobicContact CG-CD1 4.47Å; L1347-Y1369 HydrophobicContact CG-CE1 3.84Å; L1347-Y1369 PolarHBondContact O-OH 3Å; Y1351-Y1369 AromaticContact CD2-CE1 3.62Å; Y1351-Y1369 HydrophobicContact CD2-CE1 3.62Å; Y1351-Y1369 HydrophobicContact CE2-CE1 4.06Å; I1355-Y1369 HydrophobicContact CD1-CE2 3.97Å; I1365-Y1369 HydrophobicContact CG2-CD2 3.87Å; I1365-Y1369 HydrophobicContact CG2-CE2 3.87Å; I1365-Y1369 WeakPolarHBondContact O-CD2 3.38Å; I1365-Y1369 PolarHBondContact O-N 2.88Å; I1365-Y1369 VanDerWaalsContact O-N 3.15Å; R1367-Y1369 PolarHBondContact O-N 3.47Å; Y1369-E1371 VanDerWaalsContact C-N 3.32Å; Y1369-T1373 PolarHBondContact O-N 2.83Å; Y1369-T1373 PolarHBondContact O-OG1 3.48Å
1370	N	89	Confident	91.2	Very high	29 Å²	29	54.4 Å²	54.4	16%	0.155	27%	0.268	C	S	.	.	H	α-helix	trans	-73.6	-21.9	171	-86.6	-77.4	0	0	0	113.4	R1138 R1306 I1366 R1367 F1368 T1373	R1138-N1370 PolarHBondContact NE-OD1 3.38Å; R1138-N1370 PolarHBondContact NH2-O 2.96Å; R1306-N1370 PolarHBondContact NH1-OD1 3.4Å; I1366-N1370 WeakPolarHBondContact O-CB 3.38Å; I1366-N1370 PolarHBondContact O-N 3.41Å; I1366-N1370 PolarHBondContact O-ND2 3.47Å; R1367-N1370 CarbonylContact O-C 3.52Å; R1367-N1370 WeakPolarHBondContact O-CA 3.17Å; R1367-N1370 WeakPolarHBondContact O-CB 3.45Å; R1367-N1370 PolarHBondContact O-N 3Å; F1368-N1370 VanDerWaalsContact C-N 3.33Å; F1368-N1370 PolarHBondContact O-N 2.71Å; N1370-T1373 PolarHBondContact O-OG1 3.01Å
1371	E	91.4	Very high	91.5	Very high	125 Å²	125	53.5 Å²	53.5	58%	0.584	26%	0.264	S	S	*	.	H	α-helix	trans	-87.2	-28.1	175.7	-72.3	171.4	-177	0	0	111.9	R1367 F1368 Y1369 Q1375	R1367-E1371 VanDerWaalsContact CD-OE1 3.26Å; R1367-E1371 WeakPolarHBondContact CD-OE1 3.19Å; R1367-E1371 HydrophobicContact CG-CG 4.38Å; R1367-E1371 WeakPolarHBondContact CG-OE1 3.31Å; R1367-E1371 WeakPolarHBondContact O-CG 3.06Å; R1367-E1371 PolarHBondContact O-N 3.19Å; F1368-E1371 PolarHBondContact O-N 3.08Å; F1368-E1371 VanDerWaalsContact O-N 3.13Å; Y1369-E1371 VanDerWaalsContact C-N 3.32Å; E1371-Q1375 PolarHBondContact O-NE2 2.65Å
1372	L	91.7	Very high	91.8	Very high	36 Å²	36	51.1 Å²	51.1	19%	0.188	25%	0.251	C	S	.	.	S	Bend	trans	-90.6	1.4	175.1	-67.4	174.2	0	0	0	115.1	Y1351 F1368 E1374 Q1375	Y1351-L1372 HydrophobicContact CD1-CD1 4.16Å; Y1351-L1372 HydrophobicContact CE1-CD1 3.71Å; Y1351-L1372 HydrophobicContact CE2-CD1 4.29Å; F1368-L1372 HydrophobicContact CD1-CD1 4.1Å; F1368-L1372 HydrophobicContact CD2-CD1 4.15Å; F1368-L1372 HydrophobicContact CE1-CD1 3.6Å; F1368-L1372 HydrophobicContact CE2-CD1 3.66Å; F1368-L1372 HydrophobicContact CG-CD1 4.36Å; F1368-L1372 HydrophobicContact CZ-CD1 3.37Å; F1368-L1372 PolarHBondContact O-N 3.02Å; L1372-E1374 PolarHBondContact O-N 2.9Å; L1372-Q1375 WeakPolarHBondContact O-CB 3.11Å; L1372-Q1375 PolarHBondContact O-N 3.19Å
1373	T	89.8	Confident	92	Very high	21 Å²	21	55 Å²	55	13%	0.129	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.1	134.5	172.2	-63	0	0	0	0	110.7	R1306 R1314 Y1369 N1370 Q1375	R1306-T1373 PolarHBondContact NH2-OG1 3.12Å; R1314-T1373 WeakPolarHBondContact O-CG2 3.44Å; Y1369-T1373 PolarHBondContact O-N 2.83Å; Y1369-T1373 PolarHBondContact O-OG1 3.48Å; N1370-T1373 PolarHBondContact O-OG1 3.01Å; T1373-Q1375 PolarHBondContact O-N 3.14Å; T1373-Q1375 PolarHBondContact O-NE2 2.81Å; T1373-Q1375 VanDerWaalsContact O-NE2 3.14Å
1374	E	90.4	Very high	92.4	Very high	90 Å²	90	53.2 Å²	53.2	42%	0.421	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.4	19.1	-178.3	-68	169	-146.8	0	0	114.7	E1315 Q1317 L1372	E1315-E1374 WeakPolarHBondContact O-CA 3.41Å; E1315-E1374 PolarHBondContact O-N 3.34Å; Q1317-E1374 HydrophobicContact CG-CB 3.83Å; Q1317-E1374 HydrophobicContact CG-CG 4.09Å; Q1317-E1374 PolarHBondContact NE2-O 3.29Å; L1372-E1374 PolarHBondContact O-N 2.9Å
1375	Q	91.3	Very high	92.6	Very high	128 Å²	128	49.5 Å²	49.5	60%	0.598	24%	0.239	S	C	*	.			trans	-129.3	13.4	179.9	-63.2	156.5	73.8	0	0	114	E1371 L1372 T1373	E1371-Q1375 PolarHBondContact O-NE2 2.65Å; L1372-Q1375 WeakPolarHBondContact O-CB 3.11Å; L1372-Q1375 PolarHBondContact O-N 3.19Å; T1373-Q1375 PolarHBondContact O-N 3.14Å; T1373-Q1375 PolarHBondContact O-NE2 2.81Å; T1373-Q1375 VanDerWaalsContact O-NE2 3.14Å
1376	H	92.9	Very high	92.6	Very high	8 Å²	8	51.7 Å²	51.7	4%	0.037	25%	0.247	C	C	.	.			trans	-86	133.4	-179.2	-60.7	-50.2	0	0	0	111.9	E1315 L1316 L1347 Y1351 Y1378 L1381	E1315-H1376 PolarHBondContact O-CD2 3.5Å; L1316-H1376 HydrophobicContact CD2-CB 3.96Å; L1347-H1376 HydrophobicContact CD1-CB 4.45Å; Y1351-H1376 AromaticContact CE2-CE1 3.78Å; Y1351-H1376 AromaticContact CE2-ND1 3.53Å; Y1351-H1376 AromaticContact CZ-ND1 3.63Å; Y1351-H1376 PolarHBondContact OH-ND1 3.32Å; H1376-Y1378 PolarHBondContact O-N 3.1Å; H1376-L1381 HydrophobicContact CB-CD1 3.86Å
1377	D	93	Very high	92.7	Very high	62 Å²	62	52 Å²	52	33%	0.332	25%	0.252	S	S	.	.			trans	-74.3	95.1	173.4	175	7.6	0	0	0	110.6	V1379 T1380 L1381	D1377-V1379 PolarHBondContact O-N 3.47Å; D1377-V1379 WeakPolarHBondContact OD1-CB 2.98Å; D1377-V1379 PolarHBondContact OD1-N 2.76Å; D1377-T1380 PolarHBondContact OD1-N 3.04Å; D1377-T1380 VanDerWaalsContact OD2-CB 3.25Å; D1377-T1380 WeakPolarHBondContact OD2-CB 3.18Å; D1377-T1380 PolarHBondContact OD2-OG1 3.38Å; D1377-L1381 WeakPolarHBondContact O-CB 3.37Å; D1377-L1381 WeakPolarHBondContact O-CD1 3.34Å; D1377-L1381 WeakPolarHBondContact O-CG 3.44Å; D1377-L1381 PolarHBondContact O-N 3.19Å; D1377-L1381 VanDerWaalsContact O-N 3.11Å
1378	Y	93.6	Very high	92.9	Very high	55 Å²	55	46.3 Å²	46.3	22%	0.216	23%	0.231	C	C	.	.	H	α-helix	trans	-63.7	-26.1	-178.5	82.6	-95.2	0	0	0	113	D1320 P1323 V1324 H1376 L1382	D1320-Y1378 HydrophobicContact CB-CD1 3.54Å; D1320-Y1378 HydrophobicContact CB-CE1 4.19Å; D1320-Y1378 HydrophobicContact CB-CG 4.06Å; D1320-Y1378 WeakPolarHBondContact OD1-CD1 3.43Å; D1320-Y1378 WeakPolarHBondContact OD1-CE1 3.48Å; P1323-Y1378 HydrophobicContact CB-CD2 3.79Å; P1323-Y1378 HydrophobicContact CB-CE2 3.38Å; P1323-Y1378 HydrophobicContact CG-CD2 4.2Å; P1323-Y1378 HydrophobicContact CG-CE1 4.38Å; P1323-Y1378 HydrophobicContact CG-CE2 3.56Å; V1324-Y1378 HydrophobicContact CG2-CD2 4.34Å; H1376-Y1378 PolarHBondContact O-N 3.1Å; Y1378-L1382 HydrophobicContact CD2-CD1 3.94Å; Y1378-L1382 HydrophobicContact CE2-CD1 4.39Å; Y1378-L1382 VanDerWaalsContact O-CB 3.31Å; Y1378-L1382 WeakPolarHBondContact O-CB 3.27Å; Y1378-L1382 VanDerWaalsContact O-CG 3.26Å; Y1378-L1382 WeakPolarHBondContact O-CG 3.42Å; Y1378-L1382 PolarHBondContact O-N 2.78Å
1379	V	93.3	Very high	92.7	Very high	66 Å²	66	45 Å²	45	40%	0.4	23%	0.225	S	C	.	.	H	α-helix	trans	-70.7	-54.6	-176.5	-177.3	0	0	0	0	109.2	D1377 L1381 L1382 E1383	D1377-V1379 PolarHBondContact O-N 3.47Å; D1377-V1379 WeakPolarHBondContact OD1-CB 2.98Å; D1377-V1379 PolarHBondContact OD1-N 2.76Å; V1379-L1381 VanDerWaalsContact C-N 3.28Å; V1379-L1381 PolarHBondContact O-N 3.27Å; V1379-L1382 PolarHBondContact O-N 3.02Å; V1379-E1383 PolarHBondContact O-N 2.96Å
1380	T	94.5	Very high	92.5	Very high	50 Å²	50	49.4 Å²	49.4	31%	0.307	25%	0.245	S	C	.	.	H	α-helix	trans	-62.1	-37.3	176.3	-56.6	0	0	0	0	111.3	Y1350 D1377 E1383 L1384	Y1350-T1380 HydrophobicContact CD2-CG2 4.11Å; Y1350-T1380 HydrophobicContact CE2-CG2 3.76Å; D1377-T1380 PolarHBondContact OD1-N 3.04Å; D1377-T1380 VanDerWaalsContact OD2-CB 3.25Å; D1377-T1380 WeakPolarHBondContact OD2-CB 3.18Å; D1377-T1380 PolarHBondContact OD2-OG1 3.38Å; T1380-E1383 PolarHBondContact O-N 3.21Å; T1380-L1384 VanDerWaalsContact O-CB 3.22Å; T1380-L1384 WeakPolarHBondContact O-CB 3.41Å; T1380-L1384 PolarHBondContact O-N 2.88Å
1381	L	96	Very high	92.4	Very high	0 Å²	0	52 Å²	52	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-66.6	-38.2	176.3	-72.1	169.4	0	0	0	113	F1343 A1346 L1347 Y1350 H1376 D1377 V1379 A1385	F1343-L1381 HydrophobicContact CD2-CB 4.36Å; F1343-L1381 HydrophobicContact CE2-CB 3.54Å; F1343-L1381 HydrophobicContact CZ-CB 3.71Å; F1343-L1381 HydrophobicContact CZ-CD1 4.11Å; A1346-L1381 HydrophobicContact CB-CD2 4.21Å; A1346-L1381 WeakPolarHBondContact O-CD2 3.3Å; L1347-L1381 HydrophobicContact CB-CD2 4.35Å; L1347-L1381 HydrophobicContact CD1-CD1 3.66Å; L1347-L1381 HydrophobicContact CD1-CD2 4.1Å; Y1350-L1381 HydrophobicContact CD2-CD2 4.23Å; Y1350-L1381 HydrophobicContact CG-CD2 4.06Å; H1376-L1381 HydrophobicContact CB-CD1 3.86Å; D1377-L1381 WeakPolarHBondContact O-CB 3.37Å; D1377-L1381 WeakPolarHBondContact O-CD1 3.34Å; D1377-L1381 WeakPolarHBondContact O-CG 3.44Å; D1377-L1381 PolarHBondContact O-N 3.19Å; D1377-L1381 VanDerWaalsContact O-N 3.11Å; V1379-L1381 VanDerWaalsContact C-N 3.28Å; V1379-L1381 PolarHBondContact O-N 3.27Å; L1381-A1385 VanDerWaalsContact O-CB 3.25Å; L1381-A1385 WeakPolarHBondContact O-CB 3.43Å; L1381-A1385 PolarHBondContact O-N 3.38Å
1382	L	94.3	Very high	92.1	Very high	5 Å²	5	46.3 Å²	46.3	3%	0.026	23%	0.229	C	C	.	.	H	α-helix	trans	-65.5	-49.7	173.6	-79.1	-178.6	0	0	0	110.6	P1323 V1324 T1327 F1339 F1343 Y1378 V1379 L1384 A1385 R1386	P1323-L1382 HydrophobicContact CB-CD1 4.49Å; V1324-L1382 HydrophobicContact CG2-CD1 4.24Å; V1324-L1382 HydrophobicContact CG2-CD2 4.14Å; V1324-L1382 HydrophobicContact CG2-CG 4.16Å; T1327-L1382 HydrophobicContact CG2-CD2 3.94Å; F1339-L1382 HydrophobicContact CE1-CD2 3.9Å; F1339-L1382 HydrophobicContact CZ-CD2 4.45Å; F1343-L1382 HydrophobicContact CD2-CD2 3.88Å; F1343-L1382 HydrophobicContact CE2-CD2 3.73Å; F1343-L1382 HydrophobicContact CE2-CG 3.97Å; Y1378-L1382 HydrophobicContact CD2-CD1 3.94Å; Y1378-L1382 HydrophobicContact CE2-CD1 4.39Å; Y1378-L1382 VanDerWaalsContact O-CB 3.31Å; Y1378-L1382 WeakPolarHBondContact O-CB 3.27Å; Y1378-L1382 VanDerWaalsContact O-CG 3.26Å; Y1378-L1382 WeakPolarHBondContact O-CG 3.42Å; Y1378-L1382 PolarHBondContact O-N 2.78Å; V1379-L1382 PolarHBondContact O-N 3.02Å; L1382-L1384 VanDerWaalsContact C-N 3.3Å; L1382-L1384 PolarHBondContact O-N 3.42Å; L1382-A1385 PolarHBondContact O-N 2.96Å; L1382-R1386 VanDerWaalsContact O-CG 3.27Å; L1382-R1386 WeakPolarHBondContact O-CG 3.44Å; L1382-R1386 PolarHBondContact O-N 3.02Å
1383	E	93.3	Very high	91.8	Very high	118 Å²	118	44.8 Å²	44.8	55%	0.551	22%	0.221	S	C	*	.	H	α-helix	trans	-53.5	-47.2	175.7	-72.2	-177.9	-177.5	0	0	112.2	V1379 T1380 R1386 S1387	V1379-E1383 PolarHBondContact O-N 2.96Å; T1380-E1383 PolarHBondContact O-N 3.21Å; E1383-R1386 PolarHBondContact O-N 3.32Å; E1383-S1387 PolarHBondContact O-N 3.19Å
1384	L	94.9	Very high	91.4	Very high	44 Å²	44	48 Å²	48	23%	0.23	24%	0.235	C	C	.	.	H	α-helix	trans	-68.6	-38.2	-177.9	-159.3	148.6	0	0	0	111.4	A1346 E1349 T1380 L1382 S1387 F1388	A1346-L1384 HydrophobicContact CB-CB 4.29Å; A1346-L1384 HydrophobicContact CB-CD2 3.67Å; E1349-L1384 HydrophobicContact CB-CD2 3.99Å; E1349-L1384 HydrophobicContact CG-CD2 4.25Å; T1380-L1384 VanDerWaalsContact O-CB 3.22Å; T1380-L1384 WeakPolarHBondContact O-CB 3.41Å; T1380-L1384 PolarHBondContact O-N 2.88Å; L1382-L1384 VanDerWaalsContact C-N 3.3Å; L1382-L1384 PolarHBondContact O-N 3.42Å; L1384-S1387 WeakPolarHBondContact O-CB 3.43Å; L1384-S1387 PolarHBondContact O-N 2.96Å; L1384-S1387 PolarHBondContact O-OG 3.26Å; L1384-F1388 HydrophobicContact CD2-CD2 3.86Å; L1384-F1388 HydrophobicContact CD2-CE2 3.25Å; L1384-F1388 HydrophobicContact CD2-CZ 3.88Å; L1384-F1388 WeakPolarHBondContact O-CD2 3.5Å; L1384-F1388 PolarHBondContact O-N 2.81Å; L1384-F1388 VanDerWaalsContact O-N 3.12Å
1385	A	96	Very high	90.8	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-64.7	-44.9	171.3	0	0	0	0	0	113	F1339 F1342 F1343 A1346 L1381 L1382 S1387 F1388 V1389	F1339-A1385 HydrophobicContact CE1-CB 4.01Å; F1339-A1385 HydrophobicContact CZ-CB 3.71Å; F1342-A1385 HydrophobicContact CB-CB 4.42Å; F1343-A1385 HydrophobicContact CB-CB 4.5Å; F1343-A1385 HydrophobicContact CD2-CB 4.21Å; A1346-A1385 HydrophobicContact CB-CB 3.92Å; L1381-A1385 VanDerWaalsContact O-CB 3.25Å; L1381-A1385 WeakPolarHBondContact O-CB 3.43Å; L1381-A1385 PolarHBondContact O-N 3.38Å; L1382-A1385 PolarHBondContact O-N 2.96Å; A1385-S1387 PolarHBondContact O-N 2.98Å; A1385-F1388 PolarHBondContact O-N 3.47Å; A1385-V1389 PolarHBondContact O-N 2.94Å; A1385-V1389 VanDerWaalsContact O-N 3.16Å
1386	R	92.8	Very high	90.1	Very high	46 Å²	46	42 Å²	42	17%	0.174	21%	0.208	C	C	.	.	H	α-helix	trans	-57	-39.4	172.8	-66.5	-172.4	-171.2	103.2	-5.5	110.4	Y837 F1339 L1382 E1383 V1389 F1390	Y837-R1386 HydrophobicContact CE1-CG 4.08Å; Y837-R1386 HydrophobicContact CE2-CG 4.24Å; Y837-R1386 VanDerWaalsContact O-CZ 3.28Å; Y837-R1386 PolarHBondContact O-NE 2.89Å; Y837-R1386 PolarHBondContact O-NH2 3.44Å; Y837-R1386 WeakPolarHBondContact OH-CG 3.19Å; F1339-R1386 HydrophobicContact CE2-CG 4.5Å; F1339-R1386 HydrophobicContact CZ-CG 4.21Å; L1382-R1386 VanDerWaalsContact O-CG 3.27Å; L1382-R1386 WeakPolarHBondContact O-CG 3.44Å; L1382-R1386 PolarHBondContact O-N 3.02Å; E1383-R1386 PolarHBondContact O-N 3.32Å; R1386-V1389 PolarHBondContact O-N 3.32Å; R1386-F1390 PolarHBondContact O-N 3.45Å; R1386-F1390 VanDerWaalsContact O-N 3.1Å
1387	S	92.2	Very high	89	Confident	44 Å²	44	44.8 Å²	44.8	31%	0.308	23%	0.226	S	C	.	.	H	α-helix	trans	-64.1	-40.3	177.6	93	0	0	0	0	112.9	E1383 L1384 A1385 F1390 Q1391	E1383-S1387 PolarHBondContact O-N 3.19Å; L1384-S1387 WeakPolarHBondContact O-CB 3.43Å; L1384-S1387 PolarHBondContact O-N 2.96Å; L1384-S1387 PolarHBondContact O-OG 3.26Å; A1385-S1387 PolarHBondContact O-N 2.98Å; S1387-F1390 PolarHBondContact O-N 2.91Å; S1387-Q1391 WeakPolarHBondContact O-CB 3.36Å; S1387-Q1391 VanDerWaalsContact O-CG 3.26Å; S1387-Q1391 WeakPolarHBondContact O-CG 3.37Å; S1387-Q1391 PolarHBondContact O-N 3.04Å; S1387-Q1391 PolarHBondContact O-NE2 2.97Å; S1387-Q1391 PolarHBondContact OG-NE2 3.15Å
1388	F	92.6	Very high	87.4	Confident	12 Å²	12	46 Å²	46	5%	0.053	23%	0.232	C	C	.	.	H	α-helix	trans	-68.1	-37	177.7	-75.5	-50.1	0	0	0	112.5	F1284 F1342 L1345 E1349 L1384 A1385 L1392	F1284-F1388 HydrophobicContact CB-CD1 4.34Å; F1284-F1388 HydrophobicContact CB-CE1 3.87Å; F1284-F1388 AromaticContact CD1-CD1 3.66Å; F1284-F1388 HydrophobicContact CD1-CD1 3.66Å; F1284-F1388 AromaticContact CD1-CE1 3.84Å; F1284-F1388 HydrophobicContact CD1-CE1 3.84Å; F1284-F1388 HydrophobicContact CD2-CD1 4.12Å; F1284-F1388 HydrophobicContact CD2-CE1 4.49Å; F1284-F1388 AromaticContact CE1-CD1 3.93Å; F1284-F1388 HydrophobicContact CE1-CD1 3.93Å; F1284-F1388 HydrophobicContact CE2-CD1 4.36Å; F1284-F1388 AromaticContact CG-CD1 3.77Å; F1284-F1388 HydrophobicContact CG-CD1 3.77Å; F1284-F1388 AromaticContact CG-CE1 3.81Å; F1284-F1388 HydrophobicContact CG-CE1 3.81Å; F1284-F1388 HydrophobicContact CZ-CD1 4.27Å; F1342-F1388 HydrophobicContact CD1-CB 4.04Å; L1345-F1388 HydrophobicContact CB-CD2 4.32Å; L1345-F1388 HydrophobicContact CB-CE2 4.32Å; L1345-F1388 HydrophobicContact CD2-CB 4.11Å; L1345-F1388 HydrophobicContact CD2-CD1 3.87Å; L1345-F1388 HydrophobicContact CD2-CD2 3.46Å; L1345-F1388 VanDerWaalsContact CD2-CD2 3.46Å; L1345-F1388 HydrophobicContact CD2-CE1 4.04Å; L1345-F1388 HydrophobicContact CD2-CE2 3.61Å; L1345-F1388 HydrophobicContact CD2-CG 3.58Å; L1345-F1388 HydrophobicContact CD2-CZ 3.9Å; L1345-F1388 HydrophobicContact CG-CD2 3.79Å; L1345-F1388 HydrophobicContact CG-CE2 3.53Å; L1345-F1388 HydrophobicContact CG-CG 4.4Å; L1345-F1388 HydrophobicContact CG-CZ 3.97Å; E1349-F1388 HydrophobicContact CB-CE2 4.08Å; E1349-F1388 HydrophobicContact CB-CZ 3.97Å; E1349-F1388 HydrophobicContact CG-CE2 4.42Å; E1349-F1388 HydrophobicContact CG-CZ 3.87Å; L1384-F1388 HydrophobicContact CD2-CD2 3.86Å; L1384-F1388 HydrophobicContact CD2-CE2 3.25Å; L1384-F1388 HydrophobicContact CD2-CZ 3.88Å; L1384-F1388 WeakPolarHBondContact O-CD2 3.5Å; L1384-F1388 PolarHBondContact O-N 2.81Å; L1384-F1388 VanDerWaalsContact O-N 3.12Å; A1385-F1388 PolarHBondContact O-N 3.47Å; F1388-L1392 WeakPolarHBondContact O-CB 3.43Å; F1388-L1392 PolarHBondContact O-N 3.06Å
1389	V	90.5	Very high	85.2	Confident	1 Å²	1	54.4 Å²	54.4	1%	0.006	26%	0.264	C	S	.	.	H	α-helix	trans	-59.9	-50.5	172.3	176	0	0	0	0	110.1	V794 V1335 T1336 F1339 F1342 A1385 R1386 Q1391 L1392 Q1393	V794-V1389 HydrophobicContact CG1-CG1 3.81Å; V1335-V1389 HydrophobicContact CB-CG1 3.93Å; V1335-V1389 HydrophobicContact CG1-CG1 3.46Å; V1335-V1389 VanDerWaalsContact CG1-CG1 3.46Å; T1336-V1389 HydrophobicContact CG2-CG2 4.18Å; F1339-V1389 HydrophobicContact CD2-CG2 4.08Å; F1339-V1389 HydrophobicContact CE2-CG2 3.98Å; F1342-V1389 HydrophobicContact CB-CG2 4Å; F1342-V1389 HydrophobicContact CD1-CG2 3.58Å; F1342-V1389 HydrophobicContact CD2-CG2 3.93Å; F1342-V1389 HydrophobicContact CE1-CG2 4Å; F1342-V1389 HydrophobicContact CE2-CG2 4.32Å; F1342-V1389 HydrophobicContact CG-CG2 3.55Å; F1342-V1389 HydrophobicContact CZ-CG2 4.36Å; A1385-V1389 PolarHBondContact O-N 2.94Å; A1385-V1389 VanDerWaalsContact O-N 3.16Å; R1386-V1389 PolarHBondContact O-N 3.32Å; V1389-Q1391 PolarHBondContact O-N 3.17Å; V1389-L1392 PolarHBondContact O-N 2.78Å; V1389-Q1393 WeakPolarHBondContact O-CG 3.49Å; V1389-Q1393 PolarHBondContact O-N 3.08Å
1390	F	87.9	Confident	84.8	Confident	97 Å²	97	53.9 Å²	53.9	43%	0.425	26%	0.257	S	S	.	.	H	α-helix	trans	-60.9	-44.3	178.7	-178.5	-95.4	0	0	0	112.9	F798 R1386 S1387 L1392 Q1393 H1394	F798-F1390 HydrophobicContact CD1-CD2 4.01Å; F798-F1390 AromaticContact CD1-CE2 3.73Å; F798-F1390 HydrophobicContact CD1-CE2 3.73Å; F798-F1390 HydrophobicContact CD1-CZ 4.48Å; F798-F1390 HydrophobicContact CE1-CE2 4.29Å; R1386-F1390 PolarHBondContact O-N 3.45Å; R1386-F1390 VanDerWaalsContact O-N 3.1Å; S1387-F1390 PolarHBondContact O-N 2.91Å; F1390-L1392 VanDerWaalsContact C-N 3.31Å; F1390-L1392 PolarHBondContact O-N 2.99Å; F1390-Q1393 WeakPolarHBondContact O-CB 3.45Å; F1390-Q1393 PolarHBondContact O-N 3.12Å; F1390-H1394 PolarHBondContact O-N 3.17Å
1391	Q	87.1	Confident	84.3	Confident	84 Å²	84	54.1 Å²	54.1	39%	0.393	26%	0.255	S	S	.	.	H	α-helix	trans	-61.5	-38.4	175.4	-71.2	174.2	61.9	0	0	112	F1284 S1387 V1389 H1394 L1395	F1284-Q1391 HydrophobicContact CE1-CB 3.67Å; F1284-Q1391 HydrophobicContact CZ-CB 4.08Å; S1387-Q1391 WeakPolarHBondContact O-CB 3.36Å; S1387-Q1391 VanDerWaalsContact O-CG 3.26Å; S1387-Q1391 WeakPolarHBondContact O-CG 3.37Å; S1387-Q1391 PolarHBondContact O-N 3.04Å; S1387-Q1391 PolarHBondContact O-NE2 2.97Å; S1387-Q1391 PolarHBondContact OG-NE2 3.15Å; V1389-Q1391 PolarHBondContact O-N 3.17Å; Q1391-H1394 PolarHBondContact O-N 3.04Å; Q1391-L1395 WeakPolarHBondContact O-CB 3.34Å; Q1391-L1395 WeakPolarHBondContact O-CG 3.31Å; Q1391-L1395 PolarHBondContact O-N 3.25Å
1392	L	85.9	Confident	83.6	Confident	5 Å²	5	57.1 Å²	57.1	3%	0.026	27%	0.269	C	S	.	.	H	α-helix	trans	-69.8	-36	176.8	-171.4	54.5	0	0	0	112.3	L790 V794 L1280 F1284 F1342 F1388 V1389 F1390 L1395 M1396	L790-L1392 HydrophobicContact CB-CD2 4.43Å; L790-L1392 HydrophobicContact CD1-CD1 3.99Å; L790-L1392 HydrophobicContact CD1-CD2 4.14Å; V794-L1392 HydrophobicContact CG2-CD2 3.73Å; V794-L1392 HydrophobicContact CG2-CG 4.21Å; L1280-L1392 HydrophobicContact CD2-CD2 3.7Å; F1284-L1392 HydrophobicContact CE2-CB 4.46Å; F1284-L1392 HydrophobicContact CZ-CB 4.06Å; F1342-L1392 HydrophobicContact CE1-CD2 3.86Å; F1342-L1392 HydrophobicContact CZ-CD2 3.83Å; F1388-L1392 WeakPolarHBondContact O-CB 3.43Å; F1388-L1392 PolarHBondContact O-N 3.06Å; V1389-L1392 PolarHBondContact O-N 2.78Å; F1390-L1392 VanDerWaalsContact C-N 3.31Å; F1390-L1392 PolarHBondContact O-N 2.99Å; L1392-L1395 HydrophobicContact CD1-CB 4.4Å; L1392-L1395 CarbonylContact O-C 3.58Å; L1392-L1395 PolarHBondContact O-N 3.26Å; L1392-M1396 HydrophobicContact CG-SD 4.35Å; L1392-M1396 WeakPolarHBondContact O-CB 3.21Å; L1392-M1396 WeakPolarHBondContact O-CG 3.43Å; L1392-M1396 PolarHBondContact O-N 3.43Å
1393	Q	85.4	Confident	83	Confident	4 Å²	4	60.1 Å²	60.1	2%	0.019	28%	0.283	C	S	.	.	H	α-helix	trans	-58.8	-47	170.4	-67.4	-174	-52.9	0	0	111	V794 S795 N797 F798 V1389 F1390 L1395 M1396 V1397	V794-Q1393 HydrophobicContact CG1-CG 3.45Å; V794-Q1393 VanDerWaalsContact CG1-CG 3.45Å; S795-Q1393 PolarHBondContact O-NE2 2.92Å; N797-Q1393 PolarHBondContact O-NE2 3.35Å; F798-Q1393 HydrophobicContact CD1-CB 3.75Å; F798-Q1393 HydrophobicContact CE1-CB 3.46Å; F798-Q1393 VanDerWaalsContact CE1-CB 3.46Å; F798-Q1393 HydrophobicContact CZ-CB 4.23Å; V1389-Q1393 WeakPolarHBondContact O-CG 3.49Å; V1389-Q1393 PolarHBondContact O-N 3.08Å; F1390-Q1393 WeakPolarHBondContact O-CB 3.45Å; F1390-Q1393 PolarHBondContact O-N 3.12Å; Q1393-L1395 PolarHBondContact O-N 2.95Å; Q1393-M1396 PolarHBondContact O-N 2.68Å; Q1393-V1397 WeakPolarHBondContact O-CG2 3.49Å; Q1393-V1397 PolarHBondContact O-N 3.26Å
1394	H	81.5	Confident	82.4	Confident	90 Å²	90	56.5 Å²	56.5	42%	0.417	27%	0.266	S	S	.	.	H	α-helix	trans	-61	-47.7	177.3	-147.7	-60.7	0	0	0	111.2	F798 F1390 Q1391 M1396 V1397 D1398	F798-H1394 HydrophobicContact CE1-CB 4.35Å; F1390-H1394 PolarHBondContact O-N 3.17Å; Q1391-H1394 PolarHBondContact O-N 3.04Å; H1394-M1396 PolarHBondContact O-N 2.94Å; H1394-M1396 VanDerWaalsContact O-N 3.1Å; H1394-V1397 PolarHBondContact O-N 3Å; H1394-V1397 VanDerWaalsContact O-N 3.12Å; H1394-D1398 IonicContact CE1-OD1 2.76Å; H1394-D1398 IonicContact CE1-OD2 3.59Å; H1394-D1398 PolarHBondContact CE1-OD2 2.97Å; H1394-D1398 IonicContact CG-OD2 3.22Å; H1394-D1398 IonicContact ND1-OD1 3.73Å; H1394-D1398 IonicContact ND1-OD2 2.93Å; H1394-D1398 PolarHBondContact ND1-OD2 3.47Å; H1394-D1398 PolarHBondContact O-N 3.46Å
1395	L	78.2	Confident	81.5	Confident	52 Å²	52	57.3 Å²	57.3	27%	0.272	27%	0.269	S	S	.	.	H	α-helix	trans	-60.1	-17.8	173.8	-76.3	171.3	0	0	0	114.2	L783 R787 I1283 F1284 Q1391 L1392 Q1393	L783-L1395 HydrophobicContact CD2-CD2 4.49Å; R787-L1395 PolarHBondContact NE-O 2.85Å; R787-L1395 PolarHBondContact NH2-O 3.08Å; I1283-L1395 HydrophobicContact CG2-CD1 3.94Å; F1284-L1395 HydrophobicContact CE1-CD1 4.18Å; F1284-L1395 HydrophobicContact CZ-CD1 4.23Å; Q1391-L1395 WeakPolarHBondContact O-CB 3.34Å; Q1391-L1395 WeakPolarHBondContact O-CG 3.31Å; Q1391-L1395 PolarHBondContact O-N 3.25Å; L1392-L1395 HydrophobicContact CD1-CB 4.4Å; L1392-L1395 CarbonylContact O-C 3.58Å; L1392-L1395 PolarHBondContact O-N 3.26Å; Q1393-L1395 PolarHBondContact O-N 2.95Å
1396	M	75.8	Confident	80.5	Confident	38 Å²	38	61.4 Å²	61.4	19%	0.187	29%	0.288	C	S	.	.	H	α-helix	trans	-95.3	-28.5	174.4	-78.3	176.3	48.1	0	0	113.6	A791 L1392 Q1393 H1394	A791-M1396 WeakPolarHBondContact O-CE 3.49Å; L1392-M1396 HydrophobicContact CG-SD 4.35Å; L1392-M1396 WeakPolarHBondContact O-CB 3.21Å; L1392-M1396 WeakPolarHBondContact O-CG 3.43Å; L1392-M1396 PolarHBondContact O-N 3.43Å; Q1393-M1396 PolarHBondContact O-N 2.68Å; H1394-M1396 PolarHBondContact O-N 2.94Å; H1394-M1396 VanDerWaalsContact O-N 3.1Å
1397	V	70.9	Confident	79.5	Confident	67 Å²	67	62.6 Å²	62.6	41%	0.406	30%	0.297	S	S	.	.	H	α-helix	trans	-83.9	-29.8	-179.5	172.7	0	0	0	0	112.3	F798 Q1393 H1394 R1399	F798-V1397 HydrophobicContact CE2-CB 4.2Å; F798-V1397 HydrophobicContact CE2-CG1 4.2Å; F798-V1397 HydrophobicContact CE2-CG2 3.8Å; F798-V1397 HydrophobicContact CZ-CB 4.02Å; F798-V1397 HydrophobicContact CZ-CG1 4.4Å; F798-V1397 HydrophobicContact CZ-CG2 3.83Å; Q1393-V1397 WeakPolarHBondContact O-CG2 3.49Å; Q1393-V1397 PolarHBondContact O-N 3.26Å; H1394-V1397 PolarHBondContact O-N 3Å; H1394-V1397 VanDerWaalsContact O-N 3.12Å; V1397-R1399 PolarHBondContact O-N 3.22Å
1398	D	59.4	Low	78.5	Confident	87 Å²	87	64.2 Å²	64.2	47%	0.465	30%	0.296	S	S	.	.			trans	-68.6	73.2	172.7	-70.1	-36.2	0	0	0	112.2	R787 H1394	R787-D1398 PolarHBondContact NH1-O 2.95Å; R787-D1398 PolarHBondContact NH2-O 3.32Å; H1394-D1398 IonicContact CE1-OD1 2.76Å; H1394-D1398 IonicContact CE1-OD2 3.59Å; H1394-D1398 PolarHBondContact CE1-OD2 2.97Å; H1394-D1398 IonicContact CG-OD2 3.22Å; H1394-D1398 IonicContact ND1-OD1 3.73Å; H1394-D1398 IonicContact ND1-OD2 2.93Å; H1394-D1398 PolarHBondContact ND1-OD2 3.47Å; H1394-D1398 PolarHBondContact O-N 3.46Å
1399	R	46.5	Very low	77.2	Confident	233 Å²	233	68.9 Å²	68.9	88%	0.879	32%	0.318	S	S	*	.			trans	-68.5	0	-173	-77.9	-173.6	171	-173.5	-1.2	114.7	C1185 V1397	C1185-R1399 PolarHBondContact O-NH1 3.44Å; C1185-R1399 VanDerWaalsContact O-NH1 3.14Å; C1185-R1399 PolarHBondContact O-NH2 3.34Å; V1397-R1399 PolarHBondContact O-N 3.22Å

Retrieved 1,399 of 1,399 residues in 981.7 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).