A0A087XZA9_POEFO Loading...

Synaptic vesicle glycoprotein 2A

AlphaFold DB , UniProt , Accession A0A087XZA9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 737 aa.

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(Predicted Aligned Error values between residue pairs)

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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	30.9	Very low	35.3	Very low	237 Å²	237	168.3 Å²	168.3	100%	1.167	83%	0.83	S	S	*	*				0	84.9	0	-100.9	172.7	162.8	0	0	106.8
2	D	30.2	Very low	35.7	Very low	157 Å²	157	159.2 Å²	159.2	84%	0.84	80%	0.795	S	S	*	*			trans	27.6	108.8	148.5	-47.3	-27.9	0	0	0	119.5
3	D	32.2	Very low	36.2	Very low	174 Å²	174	153.8 Å²	153.8	93%	0.93	77%	0.771	S	S	*	*			trans	-141.5	93.8	147	-152	1.6	0	0	0	107.3
4	D	29.6	Very low	36.8	Very low	164 Å²	164	154.3 Å²	154.3	88%	0.877	77%	0.766	S	S	*	*			trans	-134.3	131.1	-172.7	-142.4	-0.5	0	0	0	110
5	G	35.5	Very low	37.7	Very low	73 Å²	73	149.7 Å²	149.7	75%	0.753	75%	0.745	S	S	*	*			trans	93.9	73.4	154.8	0	0	0	0	0	119.3
6	R	29.4	Very low	38.4	Very low	242 Å²	242	151.3 Å²	151.3	91%	0.913	74%	0.739	S	S	*	*			trans	-138.4	55.5	157.7	-128.7	-172.4	-148.4	-170.6	8.8	113.4
7	Y	34.1	Very low	39.4	Very low	235 Å²	235	144 Å²	144	92%	0.922	71%	0.713	S	S	*	*			trans	-139.6	66.9	169.6	-92.7	-83.8	0	0	0	110.9
8	R	42.7	Very low	39.8	Very low	242 Å²	242	138.8 Å²	138.8	91%	0.913	70%	0.696	S	S	*	*			trans	-165.8	91.7	167.2	-113.3	175.8	138.9	170.2	-4.3	108.8
9	D	43.4	Very low	40	Very low	88 Å²	88	139.7 Å²	139.7	47%	0.471	70%	0.695	S	S	.	*			trans	-166.7	-2.2	151.1	-125.1	-14.8	0	0	0	119	R11 S12 D13	D9-R11 VanDerWaalsContact C-N 3.27Å; D9-R11 PolarHBondContact O-N 3.25Å; D9-R11 VanDerWaalsContact O-N 3.15Å; D9-S12 PolarHBondContact O-N 3.31Å; D9-S12 WeakPolarHBondContact OD1-CB 3.19Å; D9-S12 PolarHBondContact OD1-OG 2.9Å; D9-D13 WeakPolarHBondContact O-CB 3.48Å; D9-D13 PolarHBondContact O-N 3.34Å; D9-D13 VanDerWaalsContact O-N 3.1Å
10	G	40.4	Very low	40.8	Very low	68 Å²	68	137 Å²	137	70%	0.701	68%	0.683	S	S	*	*	H	α-helix	trans	-63.3	-27.5	-177.3	0	0	0	0	0	115.5	F14	G10-F14 PolarHBondContact O-N 3.01Å
11	R	39.4	Very low	41.5	Very low	171 Å²	171	136.1 Å²	136.1	65%	0.645	68%	0.68	S	S	*	*	H	α-helix	trans	-87.8	-34.2	-176.5	-162.9	174.5	-176.4	173.4	2.2	112.4	D9 I15	D9-R11 VanDerWaalsContact C-N 3.27Å; D9-R11 PolarHBondContact O-N 3.25Å; D9-R11 VanDerWaalsContact O-N 3.15Å; R11-I15 HydrophobicContact CG-CD1 4.32Å; R11-I15 WeakPolarHBondContact O-CD1 3.37Å; R11-I15 WeakPolarHBondContact O-CG1 3.2Å; R11-I15 PolarHBondContact O-N 3Å; R11-I15 VanDerWaalsContact O-N 3.16Å
12	S	40.3	Very low	42.4	Very low	59 Å²	59	127.7 Å²	127.7	41%	0.413	65%	0.648	S	S	.	*	H	α-helix	trans	-72.5	-38.5	175.3	6.3	0	0	0	0	111	D9 I15 R16	D9-S12 PolarHBondContact O-N 3.31Å; D9-S12 WeakPolarHBondContact OD1-CB 3.19Å; D9-S12 PolarHBondContact OD1-OG 2.9Å; S12-I15 PolarHBondContact O-N 3.04Å; S12-R16 WeakPolarHBondContact O-CB 3.29Å; S12-R16 PolarHBondContact O-N 2.99Å
13	D	42.7	Very low	43.4	Very low	89 Å²	89	127.8 Å²	127.8	48%	0.476	64%	0.641	S	S	.	*	H	α-helix	trans	-65.1	-38.2	175.4	-75.3	-24.5	0	0	0	112.4	D9 G17	D9-D13 WeakPolarHBondContact O-CB 3.48Å; D9-D13 PolarHBondContact O-N 3.34Å; D9-D13 VanDerWaalsContact O-N 3.1Å; D13-G17 PolarHBondContact O-N 2.98Å
14	F	44.9	Very low	44.4	Very low	161 Å²	161	123.4 Å²	123.4	71%	0.706	62%	0.62	S	S	*	*	H	α-helix	trans	-67.6	-43.1	174.2	-174.4	-98.6	0	0	0	112.5	G10 R16 G17 A18	G10-F14 PolarHBondContact O-N 3.01Å; F14-R16 VanDerWaalsContact C-N 3.32Å; F14-R16 PolarHBondContact O-N 2.94Å; F14-G17 PolarHBondContact O-N 3.08Å; F14-A18 WeakPolarHBondContact O-CB 3.36Å; F14-A18 PolarHBondContact O-N 2.84Å
15	I	50.3	Low	45.2	Very low	86 Å²	86	117.7 Å²	117.7	44%	0.441	60%	0.596	S	S	.	*	H	α-helix	trans	-66.7	-36.7	177.6	-68.9	167	0	0	0	111	R11 S12 K19	R11-I15 HydrophobicContact CG-CD1 4.32Å; R11-I15 WeakPolarHBondContact O-CD1 3.37Å; R11-I15 WeakPolarHBondContact O-CG1 3.2Å; R11-I15 PolarHBondContact O-N 3Å; R11-I15 VanDerWaalsContact O-N 3.16Å; S12-I15 PolarHBondContact O-N 3.04Å; I15-K19 WeakPolarHBondContact O-CB 3.36Å; I15-K19 PolarHBondContact O-N 3.05Å
16	R	49	Very low	45.9	Very low	174 Å²	174	122.6 Å²	122.6	66%	0.657	60%	0.596	S	S	*	*	H	α-helix	trans	-68.5	-43.8	175.5	-163.9	173	179.5	179	-0.3	110.8	S12 F14 A18 K19 D20	S12-R16 WeakPolarHBondContact O-CB 3.29Å; S12-R16 PolarHBondContact O-N 2.99Å; F14-R16 VanDerWaalsContact C-N 3.32Å; F14-R16 PolarHBondContact O-N 2.94Å; R16-A18 PolarHBondContact O-N 3.17Å; R16-K19 PolarHBondContact O-N 3.5Å; R16-D20 WeakPolarHBondContact O-CB 3.17Å; R16-D20 PolarHBondContact O-N 3.09Å
17	G	54.3	Low	47	Very low	28 Å²	28	118.4 Å²	118.4	29%	0.289	58%	0.584	S	S	.	*	H	α-helix	trans	-58.6	-44.9	171.7	0	0	0	0	0	113	D13 F14 D20 I21	D13-G17 PolarHBondContact O-N 2.98Å; F14-G17 PolarHBondContact O-N 3.08Å; G17-D20 PolarHBondContact O-N 2.86Å; G17-I21 WeakPolarHBondContact O-CB 3.45Å; G17-I21 WeakPolarHBondContact O-CD1 3.28Å; G17-I21 WeakPolarHBondContact O-CG1 3.48Å; G17-I21 PolarHBondContact O-N 2.94Å
18	A	46.6	Very low	47.8	Very low	50 Å²	50	113 Å²	113	41%	0.413	57%	0.567	S	S	.	*	H	α-helix	trans	-66.1	-39.8	177.1	0	0	0	0	0	112.7	F14 R16 A22	F14-A18 WeakPolarHBondContact O-CB 3.36Å; F14-A18 PolarHBondContact O-N 2.84Å; R16-A18 PolarHBondContact O-N 3.17Å; A18-A22 WeakPolarHBondContact O-CB 3.39Å; A18-A22 PolarHBondContact O-N 3.48Å
19	K	44.8	Very low	48.1	Very low	156 Å²	156	105.7 Å²	105.7	68%	0.678	55%	0.55	S	S	*	.	H	α-helix	trans	-64	-41.1	173.3	-96.1	-177.1	174.6	176.4	0	112.1	I15 R16 A22 K23	I15-K19 WeakPolarHBondContact O-CB 3.36Å; I15-K19 PolarHBondContact O-N 3.05Å; R16-K19 PolarHBondContact O-N 3.5Å; K19-A22 PolarHBondContact O-N 3.08Å; K19-K23 WeakPolarHBondContact O-CB 3.47Å; K19-K23 PolarHBondContact O-N 3.29Å
20	D	56	Low	48	Very low	86 Å²	86	103.8 Å²	103.8	46%	0.46	55%	0.551	S	S	.	*	H	α-helix	trans	-70.2	-39.1	179.3	-73.2	-24	0	0	0	111.3	R16 G17 K23 V24	R16-D20 WeakPolarHBondContact O-CB 3.17Å; R16-D20 PolarHBondContact O-N 3.09Å; G17-D20 PolarHBondContact O-N 2.86Å; D20-K23 PolarHBondContact O-N 2.87Å; D20-V24 WeakPolarHBondContact O-CB 3.21Å; D20-V24 VanDerWaalsContact O-CG2 3.27Å; D20-V24 WeakPolarHBondContact O-CG2 3.3Å; D20-V24 PolarHBondContact O-N 2.99Å
21	I	55.4	Low	48.3	Very low	119 Å²	119	107.9 Å²	107.9	61%	0.61	55%	0.549	S	S	*	.	H	α-helix	trans	-62.4	-44.3	172.3	-68.3	164	0	0	0	111	G17 K23 V24 A25	G17-I21 WeakPolarHBondContact O-CB 3.45Å; G17-I21 WeakPolarHBondContact O-CD1 3.28Å; G17-I21 WeakPolarHBondContact O-CG1 3.48Å; G17-I21 PolarHBondContact O-N 2.94Å; I21-K23 VanDerWaalsContact C-N 3.31Å; I21-K23 PolarHBondContact O-N 2.97Å; I21-V24 PolarHBondContact O-N 3.46Å; I21-A25 VanDerWaalsContact O-CB 3.29Å; I21-A25 WeakPolarHBondContact O-CB 3.42Å; I21-A25 PolarHBondContact O-N 2.91Å
22	A	48.1	Very low	48.7	Very low	60 Å²	60	107.3 Å²	107.3	50%	0.496	55%	0.552	S	S	.	*	H	α-helix	trans	-63.5	-36.6	176.7	0	0	0	0	0	112.3	A18 K19 K26	A18-A22 WeakPolarHBondContact O-CB 3.39Å; A18-A22 PolarHBondContact O-N 3.48Å; K19-A22 PolarHBondContact O-N 3.08Å; A22-K26 WeakPolarHBondContact O-CB 3.39Å; A22-K26 PolarHBondContact O-N 3.15Å
23	K	52.4	Low	48.7	Very low	159 Å²	159	108.6 Å²	108.6	69%	0.691	56%	0.557	S	S	*	*	H	α-helix	trans	-70.7	-38.4	177.5	-151	173.9	-172.1	179.1	0	111.6	K19 D20 I21 K27	K19-K23 WeakPolarHBondContact O-CB 3.47Å; K19-K23 PolarHBondContact O-N 3.29Å; D20-K23 PolarHBondContact O-N 2.87Å; I21-K23 VanDerWaalsContact C-N 3.31Å; I21-K23 PolarHBondContact O-N 2.97Å; K23-K27 WeakPolarHBondContact O-CB 3.32Å; K23-K27 PolarHBondContact O-N 3.1Å; K23-K27 VanDerWaalsContact O-N 3.09Å
24	V	52.7	Low	48.6	Very low	82 Å²	82	105.9 Å²	105.9	50%	0.497	55%	0.55	S	S	.	*	H	α-helix	trans	-68.7	-42.6	173.6	172.8	0	0	0	0	111	D20 I21 K27 Q28	D20-V24 WeakPolarHBondContact O-CB 3.21Å; D20-V24 VanDerWaalsContact O-CG2 3.27Å; D20-V24 WeakPolarHBondContact O-CG2 3.3Å; D20-V24 PolarHBondContact O-N 2.99Å; I21-V24 PolarHBondContact O-N 3.46Å; V24-K27 PolarHBondContact O-N 2.86Å; V24-Q28 HydrophobicContact CG1-CG 4.39Å; V24-Q28 WeakPolarHBondContact O-CB 3.27Å; V24-Q28 WeakPolarHBondContact O-CG 3.24Å; V24-Q28 PolarHBondContact O-N 3.41Å
25	A	46.5	Very low	48.4	Very low	44 Å²	44	107.9 Å²	107.9	36%	0.364	55%	0.553	S	S	.	*	H	α-helix	trans	-61.3	-45.9	175.4	0	0	0	0	0	111.4	I21 K27 Q28 V29	I21-A25 VanDerWaalsContact O-CB 3.29Å; I21-A25 WeakPolarHBondContact O-CB 3.42Å; I21-A25 PolarHBondContact O-N 2.91Å; A25-K27 VanDerWaalsContact C-N 3.3Å; A25-K27 PolarHBondContact O-N 3.39Å; A25-Q28 PolarHBondContact O-N 3.44Å; A25-V29 WeakPolarHBondContact O-CB 3.44Å; A25-V29 VanDerWaalsContact O-CG2 3.24Å; A25-V29 WeakPolarHBondContact O-CG2 3.32Å; A25-V29 PolarHBondContact O-N 3.12Å
26	K	50.1	Low	48	Very low	175 Å²	175	105.3 Å²	105.3	76%	0.761	55%	0.548	S	S	*	.	H	α-helix	trans	-60.6	-38.5	175.3	-168.6	173.5	-177.9	175.5	0	112.2	A22 G30	A22-K26 WeakPolarHBondContact O-CB 3.39Å; A22-K26 PolarHBondContact O-N 3.15Å; K26-G30 PolarHBondContact O-N 2.88Å
27	K	52.1	Low	47.8	Very low	154 Å²	154	101.4 Å²	101.4	67%	0.67	54%	0.543	S	S	*	.	H	α-helix	trans	-72.5	-35.8	177.4	-164	174.4	-176.2	178	0	112.5	K23 V24 A25 K31	K23-K27 WeakPolarHBondContact O-CB 3.32Å; K23-K27 PolarHBondContact O-N 3.1Å; K23-K27 VanDerWaalsContact O-N 3.09Å; V24-K27 PolarHBondContact O-N 2.86Å; A25-K27 VanDerWaalsContact C-N 3.3Å; A25-K27 PolarHBondContact O-N 3.39Å; K27-K31 PolarHBondContact O-N 2.97Å; K27-K31 VanDerWaalsContact O-N 3.08Å
28	Q	51.6	Low	47.2	Very low	121 Å²	121	105.2 Å²	105.2	57%	0.565	56%	0.556	S	S	*	*	H	α-helix	trans	-74.1	-36.8	175.6	-76.7	-164.2	-13.1	0	0	112.5	V24 A25 K31 K32	V24-Q28 HydrophobicContact CG1-CG 4.39Å; V24-Q28 WeakPolarHBondContact O-CB 3.27Å; V24-Q28 WeakPolarHBondContact O-CG 3.24Å; V24-Q28 PolarHBondContact O-N 3.41Å; A25-Q28 PolarHBondContact O-N 3.44Å; Q28-K31 PolarHBondContact O-N 2.87Å; Q28-K32 VanDerWaalsContact O-CB 3.3Å; Q28-K32 WeakPolarHBondContact O-CB 3.45Å; Q28-K32 PolarHBondContact O-N 3.27Å
29	V	50.1	Low	47	Very low	90 Å²	90	109.6 Å²	109.6	55%	0.545	57%	0.566	S	S	.	*	H	α-helix	trans	-65.7	-45.7	172.5	172.4	0	0	0	0	110	A25 K31 K32 V33	A25-V29 WeakPolarHBondContact O-CB 3.44Å; A25-V29 VanDerWaalsContact O-CG2 3.24Å; A25-V29 WeakPolarHBondContact O-CG2 3.32Å; A25-V29 PolarHBondContact O-N 3.12Å; V29-K31 VanDerWaalsContact C-N 3.35Å; V29-K31 PolarHBondContact O-N 3.45Å; V29-K32 PolarHBondContact O-N 3.02Å; V29-V33 HydrophobicContact CG1-CG2 4.05Å; V29-V33 WeakPolarHBondContact O-CB 3.23Å; V29-V33 WeakPolarHBondContact O-CG2 3.45Å; V29-V33 PolarHBondContact O-N 3.49Å
30	G	41	Very low	46.9	Very low	48 Å²	48	109 Å²	109	50%	0.495	57%	0.568	S	S	.	*	H	α-helix	trans	-59.1	-41.1	174.6	0	0	0	0	0	113.5	K26 G34	K26-G30 PolarHBondContact O-N 2.88Å; G30-G34 PolarHBondContact O-N 2.81Å
31	K	45.3	Very low	46.2	Very low	153 Å²	153	107.5 Å²	107.5	67%	0.665	57%	0.567	S	S	*	*	H	α-helix	trans	-72.5	-34.6	175.6	-92.8	-173.2	171.8	-174.1	0	114	K27 Q28 V29 R35	K27-K31 PolarHBondContact O-N 2.97Å; K27-K31 VanDerWaalsContact O-N 3.08Å; Q28-K31 PolarHBondContact O-N 2.87Å; V29-K31 VanDerWaalsContact C-N 3.35Å; V29-K31 PolarHBondContact O-N 3.45Å; K31-R35 WeakPolarHBondContact O-CB 3.39Å; K31-R35 PolarHBondContact O-N 2.89Å; K31-R35 VanDerWaalsContact O-N 3.07Å
32	K	48	Very low	45.3	Very low	159 Å²	159	107 Å²	107	69%	0.691	57%	0.566	S	S	*	*	H	α-helix	trans	-75.6	-35.3	177.2	-87.3	-174.9	174.1	-179.6	0	112.3	Q28 V29 G36	Q28-K32 VanDerWaalsContact O-CB 3.3Å; Q28-K32 WeakPolarHBondContact O-CB 3.45Å; Q28-K32 PolarHBondContact O-N 3.27Å; V29-K32 PolarHBondContact O-N 3.02Å; K32-G36 WeakPolarHBondContact O-CA 2.9Å; K32-G36 PolarHBondContact O-N 2.96Å
33	V	40.9	Very low	45.2	Very low	87 Å²	87	110.1 Å²	110.1	53%	0.527	57%	0.57	S	S	.	*	H	α-helix	trans	-69.6	-44.7	174.2	173.4	0	0	0	0	109.9	V29 R35 G36 V37	V29-V33 HydrophobicContact CG1-CG2 4.05Å; V29-V33 WeakPolarHBondContact O-CB 3.23Å; V29-V33 WeakPolarHBondContact O-CG2 3.45Å; V29-V33 PolarHBondContact O-N 3.49Å; V33-R35 PolarHBondContact O-N 3.31Å; V33-G36 PolarHBondContact O-N 2.76Å; V33-V37 HydrophobicContact CG1-CG2 4.33Å; V33-V37 WeakPolarHBondContact O-CB 3.34Å; V33-V37 VanDerWaalsContact O-CG2 3.26Å; V33-V37 WeakPolarHBondContact O-CG2 3.06Å; V33-V37 PolarHBondContact O-N 3.11Å
34	G	40	Very low	44.5	Very low	32 Å²	32	111.8 Å²	111.8	33%	0.33	57%	0.573	S	S	.	*	H	α-helix	trans	-57.4	-51.3	173.2	0	0	0	0	0	112.6	G30 G36 V37 D38	G30-G34 PolarHBondContact O-N 2.81Å; G34-G36 VanDerWaalsContact C-N 3.3Å; G34-G36 PolarHBondContact O-N 3.5Å; G34-V37 PolarHBondContact O-N 2.98Å; G34-D38 VanDerWaalsContact O-CG 3.24Å; G34-D38 PolarHBondContact O-N 2.96Å
35	R	41.8	Very low	43.8	Very low	203 Å²	203	112.1 Å²	112.1	77%	0.766	58%	0.575	S	S	*	*	H	α-helix	trans	-66.2	-28	176.1	-81.5	-178.3	166.3	-178.9	-5.4	114.2	K31 V33 K39	K31-R35 WeakPolarHBondContact O-CB 3.39Å; K31-R35 PolarHBondContact O-N 2.89Å; K31-R35 VanDerWaalsContact O-N 3.07Å; V33-R35 PolarHBondContact O-N 3.31Å; R35-K39 WeakPolarHBondContact O-CB 3.27Å; R35-K39 PolarHBondContact O-N 3.39Å; R35-K39 VanDerWaalsContact O-N 3.09Å
36	G	41.9	Very low	43.4	Very low	32 Å²	32	117.7 Å²	117.7	33%	0.33	59%	0.591	S	S	.	*	H	α-helix	trans	-74.9	-38.5	177.8	0	0	0	0	0	112.1	K32 V33 G34 M40	K32-G36 WeakPolarHBondContact O-CA 2.9Å; K32-G36 PolarHBondContact O-N 2.96Å; V33-G36 PolarHBondContact O-N 2.76Å; G34-G36 VanDerWaalsContact C-N 3.3Å; G34-G36 PolarHBondContact O-N 3.5Å; G36-M40 WeakPolarHBondContact O-CB 3.18Å; G36-M40 WeakPolarHBondContact O-CG 3.34Å; G36-M40 PolarHBondContact O-N 2.83Å
37	V	45.3	Very low	42.8	Very low	91 Å²	91	119.3 Å²	119.3	55%	0.552	59%	0.593	S	S	*	*	H	α-helix	trans	-69.5	-43.6	175.2	173.8	0	0	0	0	110.5	V33 G34 K39 M40 A41	V33-V37 HydrophobicContact CG1-CG2 4.33Å; V33-V37 WeakPolarHBondContact O-CB 3.34Å; V33-V37 VanDerWaalsContact O-CG2 3.26Å; V33-V37 WeakPolarHBondContact O-CG2 3.06Å; V33-V37 PolarHBondContact O-N 3.11Å; G34-V37 PolarHBondContact O-N 2.98Å; V37-K39 VanDerWaalsContact C-N 3.35Å; V37-K39 PolarHBondContact O-N 3.43Å; V37-M40 PolarHBondContact O-N 2.88Å; V37-A41 WeakPolarHBondContact O-CB 3.24Å; V37-A41 PolarHBondContact O-N 3.23Å
38	D	41.1	Very low	42.1	Very low	108 Å²	108	115 Å²	115	58%	0.578	58%	0.582	S	S	*	*	H	α-helix	trans	-64.4	-39.1	176.5	-64.9	-23.2	0	0	0	111.8	G34 A41 D42	G34-D38 VanDerWaalsContact O-CG 3.24Å; G34-D38 PolarHBondContact O-N 2.96Å; D38-A41 PolarHBondContact O-N 2.92Å; D38-D42 WeakPolarHBondContact O-CB 3.28Å; D38-D42 PolarHBondContact O-N 3.38Å
39	K	42.5	Very low	41.3	Very low	143 Å²	143	117.3 Å²	117.3	62%	0.622	59%	0.586	S	S	*	*	H	α-helix	trans	-76.5	-32.3	-179.4	-156.6	178.7	-170	-169.4	0	113.1	R35 V37 E43	R35-K39 WeakPolarHBondContact O-CB 3.27Å; R35-K39 PolarHBondContact O-N 3.39Å; R35-K39 VanDerWaalsContact O-N 3.09Å; V37-K39 VanDerWaalsContact C-N 3.35Å; V37-K39 PolarHBondContact O-N 3.43Å; K39-E43 WeakPolarHBondContact O-CB 3.48Å; K39-E43 PolarHBondContact O-N 2.96Å
40	M	41.3	Very low	40.6	Very low	144 Å²	144	119.4 Å²	119.4	71%	0.709	59%	0.588	S	S	*	*	H	α-helix	trans	-70.2	-38.2	170.3	-82.5	-170.4	177.2	0	0	111.4	G36 V37 Y44	G36-M40 WeakPolarHBondContact O-CB 3.18Å; G36-M40 WeakPolarHBondContact O-CG 3.34Å; G36-M40 PolarHBondContact O-N 2.83Å; V37-M40 PolarHBondContact O-N 2.88Å; M40-Y44 VanDerWaalsContact O-CB 3.29Å; M40-Y44 WeakPolarHBondContact O-CB 3.3Å; M40-Y44 PolarHBondContact O-N 2.96Å
41	A	42	Very low	40.4	Very low	53 Å²	53	126.1 Å²	126.1	44%	0.438	60%	0.599	S	S	.	*	H	α-helix	trans	-63.4	-45	174	0	0	0	0	0	111.4	V37 D38 Y44 V45	V37-A41 WeakPolarHBondContact O-CB 3.24Å; V37-A41 PolarHBondContact O-N 3.23Å; D38-A41 PolarHBondContact O-N 2.92Å; A41-Y44 PolarHBondContact O-N 2.84Å; A41-V45 VanDerWaalsContact O-CG2 3.26Å; A41-V45 WeakPolarHBondContact O-CG2 3.28Å; A41-V45 PolarHBondContact O-N 3.07Å
42	D	36.8	Very low	39.9	Very low	110 Å²	110	126.1 Å²	126.1	59%	0.588	60%	0.599	S	S	*	*	H	α-helix	trans	-66.7	-38.2	176.8	-92	-5.2	0	0	0	113.4	D38 K46	D38-D42 WeakPolarHBondContact O-CB 3.28Å; D38-D42 PolarHBondContact O-N 3.38Å; D42-K46 WeakPolarHBondContact O-CB 3.31Å; D42-K46 PolarHBondContact O-N 2.86Å
43	E	45.1	Very low	39.2	Very low	125 Å²	125	125.4 Å²	125.4	58%	0.584	60%	0.598	S	S	*	*	H	α-helix	trans	-70	-34.7	175	-87.5	-175.8	173.1	0	0	112.3	K39 R47	K39-E43 WeakPolarHBondContact O-CB 3.48Å; K39-E43 PolarHBondContact O-N 2.96Å; E43-R47 WeakPolarHBondContact O-CB 3.35Å; E43-R47 PolarHBondContact O-N 3.41Å
44	Y	37.7	Very low	38.9	Very low	193 Å²	193	128.2 Å²	128.2	76%	0.757	61%	0.605	S	S	*	*	H	α-helix	trans	-69.1	-40.7	176.3	-144	-92.5	0	0	0	111.3	M40 A41 S48	M40-Y44 VanDerWaalsContact O-CB 3.29Å; M40-Y44 WeakPolarHBondContact O-CB 3.3Å; M40-Y44 PolarHBondContact O-N 2.96Å; A41-Y44 PolarHBondContact O-N 2.84Å; Y44-S48 WeakPolarHBondContact O-CB 3.35Å; Y44-S48 PolarHBondContact O-N 3.39Å
45	V	38.5	Very low	38.6	Very low	90 Å²	90	134 Å²	134	55%	0.545	62%	0.624	S	S	.	*	H	α-helix	trans	-68.2	-40.9	175.7	173.2	0	0	0	0	111.3	A41 S48 Y49	A41-V45 VanDerWaalsContact O-CG2 3.26Å; A41-V45 WeakPolarHBondContact O-CG2 3.28Å; A41-V45 PolarHBondContact O-N 3.07Å; V45-S48 PolarHBondContact O-N 3.27Å; V45-Y49 PolarHBondContact O-N 3Å
46	K	37.7	Very low	38	Very low	160 Å²	160	131.1 Å²	131.1	70%	0.696	62%	0.624	S	S	*	*	H	α-helix	trans	-67.4	-37.4	175.2	-85.9	-177.5	174.6	177.7	0	113.8	D42 S48 Y49 K50	D42-K46 WeakPolarHBondContact O-CB 3.31Å; D42-K46 PolarHBondContact O-N 2.86Å; K46-S48 VanDerWaalsContact C-N 3.35Å; K46-Y49 PolarHBondContact O-N 2.83Å; K46-K50 PolarHBondContact O-N 3.33Å
47	R	39	Very low	37.5	Very low	210 Å²	210	136.2 Å²	136.2	79%	0.792	64%	0.643	S	S	*	*	H	α-helix	trans	-69.7	-33.2	174.5	-108.1	178.5	171.8	171.1	-2.3	112.5	E43 R51	E43-R47 WeakPolarHBondContact O-CB 3.35Å; E43-R47 PolarHBondContact O-N 3.41Å; R47-R51 PolarHBondContact O-N 3.08Å
48	S	37.4	Very low	36.8	Very low	63 Å²	63	139.9 Å²	139.9	44%	0.441	66%	0.66	S	S	.	*	H	α-helix	trans	-67.4	-42.4	173.8	-168.9	0	0	0	0	111.1	Y44 V45 K46 F52	Y44-S48 WeakPolarHBondContact O-CB 3.35Å; Y44-S48 PolarHBondContact O-N 3.39Å; V45-S48 PolarHBondContact O-N 3.27Å; K46-S48 VanDerWaalsContact C-N 3.35Å; S48-F52 VanDerWaalsContact O-CD2 3.32Å; S48-F52 WeakPolarHBondContact O-CD2 3.41Å
49	Y	33.5	Very low	36.3	Very low	169 Å²	169	142.9 Å²	142.9	66%	0.663	68%	0.676	S	S	*	*	H	α-helix	trans	-70.6	-40.6	-179.9	-114.8	-91.7	0	0	0	113.2	V45 K46 R51 F52 E53	V45-Y49 PolarHBondContact O-N 3Å; K46-Y49 PolarHBondContact O-N 2.83Å; Y49-R51 PolarHBondContact O-N 3.11Å; Y49-F52 PolarHBondContact O-N 3.22Å; Y49-F52 VanDerWaalsContact O-N 3.16Å; Y49-E53 PolarHBondContact O-N 2.85Å
50	K	36.4	Very low	35.7	Very low	134 Å²	134	143.4 Å²	143.4	58%	0.583	69%	0.686	S	S	*	*	H	α-helix	trans	-64.3	-26.2	176.9	-106.7	-167.3	167.5	-136.1	0	114.2	K46 F52 E54	K46-K50 PolarHBondContact O-N 3.33Å; K50-F52 VanDerWaalsContact C-N 3.31Å; K50-E54 PolarHBondContact O-N 3.36Å
51	R	36.5	Very low	35	Very low	189 Å²	189	147.8 Å²	147.8	71%	0.713	70%	0.696	S	S	*	*	H	α-helix	trans	-77	-18.7	178.1	-162.8	174	-164.3	177.3	4.3	113.1	R47 Y49	R47-R51 PolarHBondContact O-N 3.08Å; Y49-R51 PolarHBondContact O-N 3.11Å
52	F	34.2	Very low	34.3	Very low	154 Å²	154	151.2 Å²	151.2	68%	0.675	71%	0.712	S	S	*	*	H	α-helix	trans	-92.8	-16.5	175.9	-83.1	-76	0	0	0	113.3	S48 Y49 K50	S48-F52 VanDerWaalsContact O-CD2 3.32Å; S48-F52 WeakPolarHBondContact O-CD2 3.41Å; Y49-F52 PolarHBondContact O-N 3.22Å; Y49-F52 VanDerWaalsContact O-N 3.16Å; K50-F52 VanDerWaalsContact C-N 3.31Å
53	E	34.1	Very low	33.7	Very low	143 Å²	143	149.5 Å²	149.5	67%	0.668	72%	0.719	S	S	*	*	H	α-helix	trans	-92.9	-15.4	175.2	-78.8	-178.4	164.7	0	0	113.5	Y49	Y49-E53 PolarHBondContact O-N 2.85Å
54	E	34.7	Very low	32.9	Very low	146 Å²	146	150.3 Å²	150.3	68%	0.682	73%	0.733	S	S	*	*	S	Bend	trans	-92	2.3	-179.8	-74.9	176.4	-171.8	0	0	113.7	K50	K50-E54 PolarHBondContact O-N 3.36Å
55	E	33.1	Very low	32.7	Very low	155 Å²	155	146.4 Å²	146.4	72%	0.724	73%	0.731	S	S	*	*	S	Bend	trans	-103.7	-1.7	178.3	-84.3	-179.4	179.3	0	0	114.6
56	D	29.7	Very low	32	Very low	141 Å²	141	148.2 Å²	148.2	75%	0.754	75%	0.747	S	S	*	*	S	Bend	trans	-118.4	1.9	-172.7	-87.5	-23	0	0	0	116.6
57	D	30.9	Very low	31.5	Very low	140 Å²	140	148 Å²	148	75%	0.749	75%	0.754	S	S	*	*			trans	-137.5	100.9	177.2	-80.2	-41.5	0	0	0	110.7
58	D	30.3	Very low	30.8	Very low	168 Å²	168	145.4 Å²	145.4	90%	0.898	76%	0.756	S	S	*	*			trans	171.4	77.3	142.6	-85.1	-23.5	0	0	0	111.2
59	D	30.3	Very low	30.3	Very low	171 Å²	171	146.3 Å²	146.3	91%	0.914	78%	0.775	S	S	*	*			trans	-121.4	96.4	159	-98.8	-27.5	0	0	0	107.9
60	D	29.8	Very low	29.9	Very low	154 Å²	154	141.3 Å²	141.3	82%	0.824	78%	0.775	S	S	*	*			trans	-155.2	108.1	160.7	-140.7	-5.2	0	0	0	112.1
61	Y	27.6	Very low	29.5	Very low	236 Å²	236	144.9 Å²	144.9	93%	0.925	79%	0.787	S	S	*	*			trans	-106.4	119.7	175.4	-116.1	-84.9	0	0	0	108.9
62	T	26.6	Very low	29.1	Very low	125 Å²	125	145.3 Å²	145.3	77%	0.767	79%	0.79	S	S	*	*			trans	-107.3	132.3	172.7	44.1	0	0	0	0	111.4
63	G	24.9	Very low	28.7	Very low	73 Å²	73	148 Å²	148	75%	0.753	80%	0.795	S	S	*	*			trans	-71.3	-176.6	-175.7	0	0	0	0	0	115.4
64	V	27.6	Very low	28.2	Very low	143 Å²	143	147.2 Å²	147.2	87%	0.867	80%	0.796	S	S	*	*				174.7	171	50.6	165.6	0	0	0	0	105.7
65	P	33	Very low	27.8	Very low	111 Å²	111	146.2 Å²	146.2	72%	0.721	80%	0.795	S	S	*	*			cis	-124.2	165.4	-14.2	23.2	-1.5	0	0	0	115.2
66	S	24.2	Very low	27.5	Very low	127 Å²	127	143 Å²	143	89%	0.888	79%	0.79	S	S	*	*			trans	-126.7	146.8	150.8	-74.5	0	0	0	0	109.8
67	N	26.8	Very low	27.3	Very low	156 Å²	156	147.6 Å²	147.6	83%	0.834	80%	0.797	S	S	*	*			trans	-87.9	133.1	-164.3	-158.5	34.3	0	0	0	112.3
68	D	25.2	Very low	27.2	Very low	155 Å²	155	145.7 Å²	145.7	83%	0.829	80%	0.8	S	S	*	*			trans	18.9	135.2	156	-87.8	-25.9	0	0	0	124.8
69	G	26.9	Very low	27.1	Very low	82 Å²	82	144.9 Å²	144.9	85%	0.845	80%	0.796	S	S	*	*			trans	106.3	123.3	142.4	0	0	0	0	0	115
70	G	25.3	Very low	27	Very low	65 Å²	65	144.3 Å²	144.3	67%	0.67	79%	0.793	S	S	*	*			cis	167.3	159.4	3.1	0	0	0	0	0	108.6
71	Y	27.1	Very low	26.9	Very low	209 Å²	209	144.1 Å²	144.1	82%	0.82	79%	0.792	S	S	*	*			trans	98.3	115	157	-66.7	-67.7	0	0	0	123.1
72	Y	28.9	Very low	27.2	Very low	197 Å²	197	141.3 Å²	141.3	77%	0.773	79%	0.787	S	S	*	*			trans	53.1	113.4	152.8	-65.5	-74.3	0	0	0	119.8
73	R	25.6	Very low	27.4	Very low	211 Å²	211	139.6 Å²	139.6	80%	0.796	79%	0.794	S	S	*	*				84.3	109.3	55.5	-171.6	171	-175.4	172.8	2.6	114.5
74	N	24.4	Very low	27.6	Very low	127 Å²	127	144.4 Å²	144.4	68%	0.679	80%	0.797	S	S	*	*			trans	45.4	147.3	142.1	-76.4	27.4	0	0	0	119.9
75	D	25.9	Very low	27.9	Very low	125 Å²	125	142.7 Å²	142.7	67%	0.668	79%	0.791	S	S	*	*			cis	-171.6	155.9	22.6	-129.6	-43.9	0	0	0	109.9
76	S	26.9	Very low	27.8	Very low	87 Å²	87	144.6 Å²	144.6	61%	0.608	80%	0.795	S	S	*	*			trans	74	110.8	137.3	-65	0	0	0	0	123.3
77	R	25.4	Very low	28.3	Very low	238 Å²	238	143.6 Å²	143.6	90%	0.898	79%	0.788	S	S	*	*				82.3	126.5	118	-82.9	-178.4	164.4	158.7	-3.1	122.4
78	A	28.3	Very low	28.7	Very low	100 Å²	100	142 Å²	142	83%	0.826	78%	0.784	S	S	*	*				110.5	127.9	125.7	0	0	0	0	0	117.6
79	N	28.3	Very low	29.1	Very low	150 Å²	150	143.7 Å²	143.7	80%	0.802	79%	0.787	S	S	*	*			trans	-38.3	147.9	167.7	-69.2	-12.2	0	0	0	113.5
80	D	28.8	Very low	29.2	Very low	160 Å²	160	142.9 Å²	142.9	86%	0.856	78%	0.779	S	S	*	*				-164	152.1	112.3	-88.8	-24.8	0	0	0	111.2
81	D	28	Very low	29.5	Very low	149 Å²	149	147.6 Å²	147.6	80%	0.797	78%	0.783	S	S	*	*			trans	-53.1	151.2	177	-70.3	-58.4	0	0	0	113.9
82	E	32.9	Very low	30	Very low	177 Å²	177	145.2 Å²	145.2	83%	0.827	78%	0.784	S	S	*	*				158.9	105.8	125.5	-85.8	-178.9	178.5	0	0	109.5	H84	E82-H84 PolarHBondContact O-N 3.46Å
83	G	30.3	Very low	30.5	Very low	89 Å²	89	143.5 Å²	143.5	92%	0.918	78%	0.783	S	S	*	*			trans	-69	100.3	175	0	0	0	0	0	110.6
84	H	30.4	Very low	31	Very low	174 Å²	174	140.4 Å²	140.4	81%	0.806	78%	0.783	S	S	*	*			trans	-80.5	122.6	167.6	-120.6	-70.3	0	0	0	109.7	E82	E82-H84 PolarHBondContact O-N 3.46Å
85	S	33.2	Very low	31.7	Very low	107 Å²	107	142 Å²	142	75%	0.748	79%	0.791	S	S	*	*			trans	-65.3	124.7	163	57.6	0	0	0	0	109.3
86	D	30.1	Very low	32.2	Very low	151 Å²	151	145.1 Å²	145.1	81%	0.807	80%	0.802	S	S	*	*			trans	-141.2	137.9	155	-151.5	0.9	0	0	0	111
87	S	34.9	Very low	32.6	Very low	107 Å²	107	148 Å²	148	75%	0.748	81%	0.809	S	S	*	*			trans	-91.2	128.3	-177.3	-54.9	0	0	0	0	108.4
88	T	37.1	Very low	33	Very low	121 Å²	121	147 Å²	147	74%	0.742	81%	0.807	S	S	*	*			trans	-147.6	103.2	161	32.3	0	0	0	0	106.1
89	E	32	Very low	33.2	Very low	191 Å²	191	150.8 Å²	150.8	89%	0.893	81%	0.807	S	S	*	*				75	113	84.2	-168.5	176.2	-165.6	0	0	112.4
90	G	28.6	Very low	33.4	Very low	65 Å²	65	146 Å²	146	67%	0.67	79%	0.794	S	S	*	*			trans	96.1	99.6	149.9	0	0	0	0	0	117.3
91	H	31.8	Very low	33.6	Very low	164 Å²	164	147.4 Å²	147.4	76%	0.759	80%	0.795	S	S	*	*				-179.4	105.7	102.5	-109.3	-79.3	0	0	0	110.2	E93	H91-E93 IonicContact CE1-OE1 3.86Å; H91-E93 IonicContact ND1-OE1 3.77Å
92	D	37.8	Very low	33.7	Very low	159 Å²	159	150.8 Å²	150.8	85%	0.85	80%	0.798	S	S	*	*			trans	-78.5	120.9	153.8	-66.6	-41.1	0	0	0	106.6
93	E	40.1	Very low	33.9	Very low	161 Å²	161	151 Å²	151	75%	0.752	80%	0.799	S	S	*	*			trans	-130.5	91.9	157.5	-73.8	-168.4	178.4	0	0	107.5	H91	H91-E93 IonicContact CE1-OE1 3.86Å; H91-E93 IonicContact ND1-OE1 3.77Å
94	D	37	Very low	33.8	Very low	146 Å²	146	149.5 Å²	149.5	78%	0.781	78%	0.784	S	S	*	*			trans	41.8	117.2	136.7	-59.9	-33.8	0	0	0	119.8	E96	D94-E96 PolarHBondContact O-N 2.9Å
95	D	37.7	Very low	34	Very low	160 Å²	160	148.3 Å²	148.3	86%	0.856	78%	0.782	S	S	*	*			trans	-50.4	93.5	154.1	-71.8	-47.8	0	0	0	111.1	I97	D95-I97 VanDerWaalsContact C-N 3.31Å; D95-I97 PolarHBondContact O-N 3.17Å
96	E	37.1	Very low	34	Very low	192 Å²	192	149 Å²	149	90%	0.897	78%	0.784	S	S	*	*			trans	-73.2	92	160.9	-81	-169.6	166.3	0	0	109.3	D94 Y98	D94-E96 PolarHBondContact O-N 2.9Å; E96-Y98 PolarHBondContact O-N 2.94Å; E96-Y98 VanDerWaalsContact O-N 3.08Å
97	I	34.1	Very low	34	Very low	148 Å²	148	153.6 Å²	153.6	76%	0.759	79%	0.79	S	S	*	*			trans	-49	110.8	159.8	-69.3	167.7	0	0	0	107.9	D95 E99	D95-I97 VanDerWaalsContact C-N 3.31Å; D95-I97 PolarHBondContact O-N 3.17Å; I97-E99 PolarHBondContact O-N 3.33Å
98	Y	34.8	Very low	34.3	Very low	216 Å²	216	152.5 Å²	152.5	85%	0.847	80%	0.795	S	S	*	*			trans	-63.6	99.7	171.5	-171.8	-99.2	0	0	0	109.1	E96 G100	E96-Y98 PolarHBondContact O-N 2.94Å; E96-Y98 VanDerWaalsContact O-N 3.08Å; Y98-G100 PolarHBondContact O-N 3.16Å
99	E	33.3	Very low	34.1	Very low	180 Å²	180	154.1 Å²	154.1	84%	0.841	80%	0.8	S	S	*	*			trans	-66.3	96.2	166.1	-73.6	-161.4	165.2	0	0	108.4	I97 E101	I97-E99 PolarHBondContact O-N 3.33Å; E99-E101 PolarHBondContact O-N 2.84Å
100	G	32.6	Very low	34	Very low	50 Å²	50	150.5 Å²	150.5	52%	0.515	80%	0.795	S	S	.	*			trans	-61.5	115.9	164.5	0	0	0	0	0	108.9	Y98 Y102	Y98-G100 PolarHBondContact O-N 3.16Å; G100-Y102 VanDerWaalsContact C-N 3.34Å; G100-Y102 PolarHBondContact O-N 3.01Å
101	E	31.2	Very low	34.7	Very low	189 Å²	189	151 Å²	151	88%	0.883	80%	0.801	S	S	*	*			trans	-57.3	100.3	166.3	-83.8	-172.2	152.7	0	0	108.8	E99 Q103	E99-E101 PolarHBondContact O-N 2.84Å; E101-Q103 PolarHBondContact O-N 2.97Å
102	Y	31.2	Very low	34.8	Very low	219 Å²	219	152.5 Å²	152.5	86%	0.859	81%	0.805	S	S	*	*			trans	-72.5	95.3	172.6	-146.8	-88.9	0	0	0	107.5	G100 G104	G100-Y102 VanDerWaalsContact C-N 3.34Å; G100-Y102 PolarHBondContact O-N 3.01Å; Y102-G104 PolarHBondContact O-N 2.89Å
103	Q	36	Very low	34.9	Very low	182 Å²	182	152 Å²	152	85%	0.85	81%	0.808	S	S	*	*			trans	-62.9	99.8	167.5	-81.6	-177	-8.9	0	0	108.5	E101 I105	E101-Q103 PolarHBondContact O-N 2.97Å; Q103-I105 PolarHBondContact O-N 3.47Å
104	G	29.5	Very low	34.6	Very low	58 Å²	58	147.8 Å²	147.8	60%	0.598	81%	0.808	S	S	*	*			trans	-58.3	134.4	-179.1	0	0	0	0	0	112.2	Y102	Y102-G104 PolarHBondContact O-N 2.89Å
105	I	33.9	Very low	34.5	Very low	149 Å²	149	143.7 Å²	143.7	76%	0.764	80%	0.8	S	S	*	*			trans	-58.7	124.7	167.2	-59.7	165	0	0	0	107.8	Q103 R107	Q103-I105 PolarHBondContact O-N 3.47Å; I105-R107 PolarHBondContact O-N 2.89Å
106	P	34.1	Very low	34.7	Very low	122 Å²	122	144.6 Å²	144.6	79%	0.792	80%	0.801	S	S	*	*			trans	-65.2	110.5	177.3	-16.8	29.2	0	0	0	109.4	G108	P106-G108 PolarHBondContact O-N 2.92Å
107	R	30.3	Very low	34.9	Very low	246 Å²	246	141.7 Å²	141.7	93%	0.928	79%	0.792	S	S	*	*			trans	-71.2	117.6	163.6	-78.4	-174.9	172.4	169.7	-0.6	107.6	I105 D109	I105-R107 PolarHBondContact O-N 2.89Å; R107-D109 PolarHBondContact O-N 3.4Å
108	G	40.3	Very low	35.3	Very low	84 Å²	84	137 Å²	137	87%	0.866	78%	0.78	S	S	*	*			trans	-69.8	94.3	172.7	0	0	0	0	0	110.3	P106	P106-G108 PolarHBondContact O-N 2.92Å
109	D	32.7	Very low	35.8	Very low	155 Å²	155	133.7 Å²	133.7	83%	0.829	77%	0.774	S	S	*	*			trans	-161.7	98.6	146.4	-145.4	1.4	0	0	0	111.8	R107	R107-D109 PolarHBondContact O-N 3.4Å
110	S	31	Very low	36.4	Very low	115 Å²	115	127.7 Å²	127.7	80%	0.804	76%	0.755	S	S	*	*			trans	-172.1	103.2	142.9	61.1	0	0	0	0	108.6	K112	S110-K112 PolarHBondContact O-N 2.93Å
111	G	42	Very low	37.4	Very low	76 Å²	76	129.3 Å²	129.3	78%	0.784	76%	0.755	S	S	*	*			trans	-61.4	120.1	169.8	0	0	0	0	0	110.9
112	K	34.1	Very low	38.3	Very low	195 Å²	195	123.2 Å²	123.2	85%	0.848	74%	0.737	S	S	*	*			trans	-165	113.3	149.7	-106.8	165.7	-172.2	-179	0	110.3	S110 G114	S110-K112 PolarHBondContact O-N 2.93Å; K112-G114 PolarHBondContact O-N 3.2Å
113	T	39.6	Very low	39.4	Very low	148 Å²	148	118 Å²	118	91%	0.908	72%	0.72	S	S	*	*			trans	-1.5	100.2	158.5	51.4	0	0	0	0	116.9
114	G	33.4	Very low	40.4	Very low	74 Å²	74	112.1 Å²	112.1	76%	0.763	70%	0.703	S	S	*	*			trans	-135.9	126.4	161.6	0	0	0	0	0	108.5	K112	K112-G114 PolarHBondContact O-N 3.2Å
115	G	36.4	Very low	41.7	Very low	59 Å²	59	114.9 Å²	114.9	61%	0.608	70%	0.701	S	S	*	*			trans	-69.3	175.5	-166.6	0	0	0	0	0	115.8	D117 G118	G115-D117 PolarHBondContact O-N 3.15Å; G115-G118 PolarHBondContact O-N 3.19Å; G115-G118 VanDerWaalsContact O-N 3.08Å
116	M	41.1	Very low	42.9	Very low	179 Å²	179	114.4 Å²	114.4	88%	0.882	70%	0.695	S	S	*	*	T	Hydrogen-bonded Turn	trans	-47.4	-16	176.2	-86	151.2	67.7	0	0	115.4
117	D	42.1	Very low	44.1	Very low	132 Å²	132	115.8 Å²	115.8	71%	0.706	69%	0.689	S	S	*	*	H	α-helix	trans	-71.6	-28.1	177	-66	-33.2	0	0	0	113.9	G115 M119 V121	G115-D117 PolarHBondContact O-N 3.15Å; D117-M119 PolarHBondContact O-N 3.48Å; D117-V121 WeakPolarHBondContact O-CG2 3.18Å; D117-V121 PolarHBondContact O-N 2.87Å; D117-V121 VanDerWaalsContact O-N 3.09Å
118	G	41.5	Very low	45.8	Very low	49 Å²	49	113.1 Å²	113.1	51%	0.505	68%	0.679	S	S	.	*	H	α-helix	trans	-71.8	-30.7	-177.7	0	0	0	0	0	114.1	G115 A122	G115-G118 PolarHBondContact O-N 3.19Å; G115-G118 VanDerWaalsContact O-N 3.08Å; G118-A122 WeakPolarHBondContact O-CB 3.35Å; G118-A122 PolarHBondContact O-N 2.99Å; G118-A122 VanDerWaalsContact O-N 3.1Å
119	M	44.7	Very low	47.3	Very low	146 Å²	146	113.7 Å²	113.7	72%	0.719	66%	0.662	S	S	*	*	H	α-helix	trans	-77.2	-38.5	178.8	-151.8	169.1	-174.9	0	0	111.1	D117 A122 E123	D117-M119 PolarHBondContact O-N 3.48Å; M119-A122 PolarHBondContact O-N 3.19Å; M119-E123 PolarHBondContact O-N 3.16Å
120	A	45.8	Very low	49	Very low	54 Å²	54	110.8 Å²	110.8	45%	0.446	65%	0.646	S	S	.	*	H	α-helix	trans	-66.4	-35.4	173.4	0	0	0	0	0	112.5	A124	A120-A124 WeakPolarHBondContact O-CB 3.42Å; A120-A124 PolarHBondContact O-N 3.44Å
121	V	53.9	Low	50.8	Low	85 Å²	85	108.5 Å²	108.5	52%	0.515	63%	0.63	S	S	.	*	H	α-helix	trans	-70.6	-40.8	175	172.3	0	0	0	0	111.4	D117 A124 Q125	D117-V121 WeakPolarHBondContact O-CG2 3.18Å; D117-V121 PolarHBondContact O-N 2.87Å; D117-V121 VanDerWaalsContact O-N 3.09Å; V121-A124 PolarHBondContact O-N 3.15Å; V121-Q125 VanDerWaalsContact O-CB 3.29Å; V121-Q125 WeakPolarHBondContact O-CB 3.4Å; V121-Q125 PolarHBondContact O-N 3.17Å
122	A	51.7	Low	52.4	Low	60 Å²	60	107.6 Å²	107.6	50%	0.496	62%	0.615	S	S	.	*	H	α-helix	trans	-64.7	-43	175.7	0	0	0	0	0	112.4	G118 M119 Q125 Q126	G118-A122 WeakPolarHBondContact O-CB 3.35Å; G118-A122 PolarHBondContact O-N 2.99Å; G118-A122 VanDerWaalsContact O-N 3.1Å; M119-A122 PolarHBondContact O-N 3.19Å; A122-Q125 PolarHBondContact O-N 3.33Å; A122-Q126 WeakPolarHBondContact O-CB 3.3Å; A122-Q126 PolarHBondContact O-N 3.24Å
123	E	53.3	Low	54.3	Low	109 Å²	109	101.7 Å²	101.7	51%	0.509	59%	0.589	S	S	.	*	H	α-helix	trans	-63.9	-45	173.2	-76.4	-178.5	166.5	0	0	111.4	M119 Q125 Q126 F127	M119-E123 PolarHBondContact O-N 3.16Å; E123-Q125 VanDerWaalsContact C-N 3.31Å; E123-Q125 PolarHBondContact O-N 3.28Å; E123-Q126 PolarHBondContact O-N 3.49Å; E123-F127 WeakPolarHBondContact O-CD2 3.38Å; E123-F127 PolarHBondContact O-N 2.93Å
124	A	56.3	Low	55.9	Low	60 Å²	60	100.5 Å²	100.5	50%	0.496	57%	0.573	S	S	.	*	H	α-helix	trans	-63.2	-36.1	177.9	0	0	0	0	0	112.9	A120 V121 R128	A120-A124 WeakPolarHBondContact O-CB 3.42Å; A120-A124 PolarHBondContact O-N 3.44Å; V121-A124 PolarHBondContact O-N 3.15Å; A124-R128 VanDerWaalsContact O-CB 3.3Å; A124-R128 WeakPolarHBondContact O-CB 3.26Å; A124-R128 PolarHBondContact O-N 3.33Å
125	Q	57.9	Low	57.9	Low	116 Å²	116	98.2 Å²	98.2	54%	0.542	55%	0.55	S	S	.	.	H	α-helix	trans	-67	-45.2	174.3	-162.2	116.1	-5.2	0	0	110.6	V121 A122 E123 F127 R128 D129	V121-Q125 VanDerWaalsContact O-CB 3.29Å; V121-Q125 WeakPolarHBondContact O-CB 3.4Å; V121-Q125 PolarHBondContact O-N 3.17Å; A122-Q125 PolarHBondContact O-N 3.33Å; E123-Q125 VanDerWaalsContact C-N 3.31Å; E123-Q125 PolarHBondContact O-N 3.28Å; Q125-F127 PolarHBondContact O-N 3.3Å; Q125-R128 WeakPolarHBondContact O-CB 3.48Å; Q125-R128 PolarHBondContact O-N 2.89Å; Q125-R128 VanDerWaalsContact O-N 3.11Å; Q125-D129 VanDerWaalsContact O-CG 3.27Å; Q125-D129 PolarHBondContact O-N 3.44Å
126	Q	58.2	Low	59.8	Low	139 Å²	139	100.8 Å²	100.8	65%	0.65	55%	0.546	S	S	*	.	H	α-helix	trans	-62.2	-40.8	176.9	-166.9	176.7	3.5	0	0	112.4	A122 E123 D129 L130	A122-Q126 WeakPolarHBondContact O-CB 3.3Å; A122-Q126 PolarHBondContact O-N 3.24Å; E123-Q126 PolarHBondContact O-N 3.49Å; Q126-D129 PolarHBondContact O-N 3.46Å; Q126-L130 WeakPolarHBondContact O-CB 3.47Å; Q126-L130 PolarHBondContact O-N 2.91Å
127	F	60.6	Low	61.5	Low	151 Å²	151	93.3 Å²	93.3	66%	0.662	51%	0.51	S	S	*	.	H	α-helix	trans	-66.4	-35.7	172.8	-86.7	-73.6	0	0	0	112.7	E123 Q125 S131	E123-F127 WeakPolarHBondContact O-CD2 3.38Å; E123-F127 PolarHBondContact O-N 2.93Å; Q125-F127 PolarHBondContact O-N 3.3Å; F127-S131 WeakPolarHBondContact O-CB 3.36Å; F127-S131 PolarHBondContact O-N 3.49Å; F127-S131 PolarHBondContact O-OG 2.97Å
128	R	65.6	Low	63.1	Low	190 Å²	190	94 Å²	94	72%	0.717	50%	0.503	S	S	*	.	H	α-helix	trans	-69.6	-40	176.6	-167.7	176.7	-174.9	-178.6	-0.4	111.8	A124 Q125 S131 A132	A124-R128 VanDerWaalsContact O-CB 3.3Å; A124-R128 WeakPolarHBondContact O-CB 3.26Å; A124-R128 PolarHBondContact O-N 3.33Å; Q125-R128 WeakPolarHBondContact O-CB 3.48Å; Q125-R128 PolarHBondContact O-N 2.89Å; Q125-R128 VanDerWaalsContact O-N 3.11Å; R128-S131 WeakPolarHBondContact CA-OG 3.44Å; R128-S131 PolarHBondContact O-N 2.88Å; R128-S131 PolarHBondContact O-OG 3.41Å; R128-A132 VanDerWaalsContact O-CB 3.27Å; R128-A132 WeakPolarHBondContact O-CB 3.41Å; R128-A132 PolarHBondContact O-N 2.68Å
129	D	70.6	Confident	64.9	Low	96 Å²	96	97.8 Å²	97.8	51%	0.513	51%	0.506	S	S	.	.	H	α-helix	trans	-69.3	-39.3	176.8	-67.3	-19.1	0	0	0	110.9	Q125 Q126 A132 F133	Q125-D129 VanDerWaalsContact O-CG 3.27Å; Q125-D129 PolarHBondContact O-N 3.44Å; Q126-D129 PolarHBondContact O-N 3.46Å; D129-A132 PolarHBondContact O-N 2.89Å; D129-F133 VanDerWaalsContact O-CB 3.23Å; D129-F133 WeakPolarHBondContact O-CB 3.39Å; D129-F133 PolarHBondContact O-N 3.5Å
130	L	69.3	Low	66.6	Low	94 Å²	94	92 Å²	92	49%	0.492	48%	0.478	S	S	.	.	H	α-helix	trans	-63.9	-45	174.3	-153.8	85.2	0	0	0	111.9	Q126 F133 E134	Q126-L130 WeakPolarHBondContact O-CB 3.47Å; Q126-L130 PolarHBondContact O-N 2.91Å; L130-F133 PolarHBondContact O-N 3.3Å; L130-E134 WeakPolarHBondContact O-CB 3Å; L130-E134 WeakPolarHBondContact O-CG 3.27Å; L130-E134 PolarHBondContact O-N 3.35Å
131	S	69.4	Low	68.2	Low	67 Å²	67	93.8 Å²	93.8	47%	0.469	47%	0.473	S	S	.	.	H	α-helix	trans	-70.3	-33	178.7	54.5	0	0	0	0	113.2	F127 R128 G135	F127-S131 WeakPolarHBondContact O-CB 3.36Å; F127-S131 PolarHBondContact O-N 3.49Å; F127-S131 PolarHBondContact O-OG 2.97Å; R128-S131 WeakPolarHBondContact CA-OG 3.44Å; R128-S131 PolarHBondContact O-N 2.88Å; R128-S131 PolarHBondContact O-OG 3.41Å; S131-G135 PolarHBondContact O-N 2.9Å
132	A	75.1	Confident	69.5	Low	56 Å²	56	93.2 Å²	93.2	46%	0.463	47%	0.465	S	S	.	.	H	α-helix	trans	-65.5	-45.5	170.9	0	0	0	0	0	111.1	R128 D129 G135 E136	R128-A132 VanDerWaalsContact O-CB 3.27Å; R128-A132 WeakPolarHBondContact O-CB 3.41Å; R128-A132 PolarHBondContact O-N 2.68Å; D129-A132 PolarHBondContact O-N 2.89Å; A132-G135 WeakPolarHBondContact O-CA 3.09Å; A132-G135 PolarHBondContact O-N 2.71Å; A132-G135 VanDerWaalsContact O-N 3.16Å; A132-E136 PolarHBondContact O-N 3.35Å
133	F	73.7	Confident	71	Confident	72 Å²	72	94.4 Å²	94.4	32%	0.316	46%	0.46	S	S	.	.	H	α-helix	trans	-62.2	-45.8	176.3	-179.4	-96.5	0	0	0	112.4	D129 L130 G135 E136 V137 I399	D129-F133 VanDerWaalsContact O-CB 3.23Å; D129-F133 WeakPolarHBondContact O-CB 3.39Å; D129-F133 PolarHBondContact O-N 3.5Å; L130-F133 PolarHBondContact O-N 3.3Å; F133-G135 PolarHBondContact O-N 3.46Å; F133-E136 PolarHBondContact O-N 2.86Å; F133-V137 HydrophobicContact CD1-CG2 4.15Å; F133-V137 HydrophobicContact CE1-CG2 3.72Å; F133-V137 HydrophobicContact CE2-CG2 4.4Å; F133-V137 HydrophobicContact CZ-CG2 3.88Å; F133-V137 WeakPolarHBondContact O-CG2 3.32Å; F133-V137 PolarHBondContact O-N 3.47Å; F133-I399 HydrophobicContact CE1-CD1 3.68Å; F133-I399 HydrophobicContact CE1-CG1 3.96Å; F133-I399 HydrophobicContact CZ-CD1 4.15Å; F133-I399 HydrophobicContact CZ-CG1 3.92Å
134	E	73.1	Confident	72.4	Confident	122 Å²	122	89.9 Å²	89.9	57%	0.57	44%	0.439	S	S	*	.	H	α-helix	trans	-58.9	-37.6	173.2	-76	178.8	170.6	0	0	111.8	L130 R138	L130-E134 WeakPolarHBondContact O-CB 3Å; L130-E134 WeakPolarHBondContact O-CG 3.27Å; L130-E134 PolarHBondContact O-N 3.35Å; E134-R138 WeakPolarHBondContact O-CB 3.43Å; E134-R138 PolarHBondContact O-N 3.09Å
135	G	74.7	Confident	73.6	Confident	26 Å²	26	87.2 Å²	87.2	27%	0.268	42%	0.417	S	S	.	.	H	α-helix	trans	-64	-42.1	174.4	0	0	0	0	0	113.5	S131 A132 F133 R138 K139	S131-G135 PolarHBondContact O-N 2.9Å; A132-G135 WeakPolarHBondContact O-CA 3.09Å; A132-G135 PolarHBondContact O-N 2.71Å; A132-G135 VanDerWaalsContact O-N 3.16Å; F133-G135 PolarHBondContact O-N 3.46Å; G135-R138 PolarHBondContact O-N 2.93Å; G135-K139 PolarHBondContact O-N 3.03Å; G135-K139 VanDerWaalsContact O-N 3.17Å
136	E	78.2	Confident	74.9	Confident	114 Å²	114	87.5 Å²	87.5	53%	0.533	42%	0.418	S	S	.	.	H	α-helix	trans	-66.5	-47.6	175.2	-74.1	-172	166.7	0	0	111.9	A132 F133 R138 K139 D140	A132-E136 PolarHBondContact O-N 3.35Å; F133-E136 PolarHBondContact O-N 2.86Å; E136-R138 PolarHBondContact O-N 3.05Å; E136-K139 PolarHBondContact O-N 3.21Å; E136-D140 PolarHBondContact O-N 3.33Å
137	V	75.4	Confident	76.2	Confident	22 Å²	22	84.7 Å²	84.7	13%	0.133	41%	0.405	C	S	.	.	H	α-helix	trans	-56.7	-37.6	176.2	169.5	0	0	0	0	111.3	F133 R141 V396	F133-V137 HydrophobicContact CD1-CG2 4.15Å; F133-V137 HydrophobicContact CE1-CG2 3.72Å; F133-V137 HydrophobicContact CE2-CG2 4.4Å; F133-V137 HydrophobicContact CZ-CG2 3.88Å; F133-V137 WeakPolarHBondContact O-CG2 3.32Å; F133-V137 PolarHBondContact O-N 3.47Å; V137-R141 VanDerWaalsContact O-CG 3.26Å; V137-R141 WeakPolarHBondContact O-CG 3.47Å; V137-R141 PolarHBondContact O-N 3.04Å; V137-R141 VanDerWaalsContact O-N 3.09Å; V137-V396 HydrophobicContact CG1-CG1 3.87Å
138	R	75.5	Confident	77.5	Confident	145 Å²	145	77.7 Å²	77.7	55%	0.547	38%	0.375	S	S	.	.	H	α-helix	trans	-66.5	-44	176.4	-170.5	174.7	66.9	120	1.2	112.2	E134 G135 E136 R141 E142	E134-R138 WeakPolarHBondContact O-CB 3.43Å; E134-R138 PolarHBondContact O-N 3.09Å; G135-R138 PolarHBondContact O-N 2.93Å; E136-R138 PolarHBondContact O-N 3.05Å; R138-R141 PolarHBondContact O-N 3.35Å; R138-E142 WeakPolarHBondContact O-CG 3.21Å; R138-E142 PolarHBondContact O-N 3.32Å; R138-E142 VanDerWaalsContact O-N 3.07Å
139	K	80.4	Confident	78.4	Confident	130 Å²	130	69.1 Å²	69.1	57%	0.565	34%	0.343	S	S	*	.	H	α-helix	trans	-62.6	-45.2	175.6	-74.2	-180	178.7	177.8	0	111.6	G135 E136 R141 E142 E143	G135-K139 PolarHBondContact O-N 3.03Å; G135-K139 VanDerWaalsContact O-N 3.17Å; E136-K139 PolarHBondContact O-N 3.21Å; K139-R141 PolarHBondContact O-N 2.97Å; K139-E142 PolarHBondContact O-N 3.39Å; K139-E142 VanDerWaalsContact O-N 3.11Å; K139-E143 WeakPolarHBondContact O-CG 3.23Å; K139-E143 PolarHBondContact O-N 3.01Å
140	D	80.3	Confident	79.1	Confident	25 Å²	25	68.8 Å²	68.8	13%	0.134	34%	0.344	C	S	.	.	H	α-helix	trans	-59.9	-36	178.1	-75.7	-12.8	0	0	0	111.9	E136 L144 K394	E136-D140 PolarHBondContact O-N 3.33Å; D140-L144 WeakPolarHBondContact O-CB 3.38Å; D140-L144 PolarHBondContact O-N 3.49Å; D140-K394 WeakPolarHBondContact OD1-CE 3.4Å; D140-K394 IonicContact OD1-NZ 2.89Å; D140-K394 PolarHBondContact OD1-NZ 2.97Å
141	R	78.6	Confident	80	Confident	90 Å²	90	64.7 Å²	64.7	34%	0.34	32%	0.323	S	S	.	.	H	α-helix	trans	-67.8	-42.5	173.8	-74.5	170.1	-178.9	-154.6	-2	113	V137 R138 K139 L144 A145 V396 H675	V137-R141 VanDerWaalsContact O-CG 3.26Å; V137-R141 WeakPolarHBondContact O-CG 3.47Å; V137-R141 PolarHBondContact O-N 3.04Å; V137-R141 VanDerWaalsContact O-N 3.09Å; R138-R141 PolarHBondContact O-N 3.35Å; K139-R141 PolarHBondContact O-N 2.97Å; R141-L144 PolarHBondContact O-N 2.88Å; R141-A145 WeakPolarHBondContact O-CB 3.36Å; R141-A145 PolarHBondContact O-N 3.26Å; R141-V396 HydrophobicContact CG-CG1 4.35Å; R141-V396 HydrophobicContact CG-CG2 3.64Å; R141-H675 PolarHBondContact NH1-CE1 3.09Å; R141-H675 PolarHBondContact NH1-NE2 2.94Å
142	E	80.9	Confident	80.8	Confident	74 Å²	74	61.7 Å²	61.7	35%	0.346	30%	0.301	S	S	.	.	H	α-helix	trans	-64.6	-42.2	177.5	-72.3	174.7	-172.9	0	0	111.2	R138 K139 A145 Q146	R138-E142 WeakPolarHBondContact O-CG 3.21Å; R138-E142 PolarHBondContact O-N 3.32Å; R138-E142 VanDerWaalsContact O-N 3.07Å; K139-E142 PolarHBondContact O-N 3.39Å; K139-E142 VanDerWaalsContact O-N 3.11Å; E142-A145 PolarHBondContact O-N 3.38Å; E142-Q146 WeakPolarHBondContact O-CG 3.47Å; E142-Q146 PolarHBondContact O-N 3.2Å; E142-Q146 VanDerWaalsContact O-N 3.16Å
143	E	83	Confident	81.4	Confident	84 Å²	84	64.1 Å²	64.1	39%	0.393	30%	0.303	S	S	.	.	H	α-helix	trans	-64.6	-45.6	174.4	-72.4	178.4	-173.3	0	0	111.8	K139 A145 Q146 Q147 K394	K139-E143 WeakPolarHBondContact O-CG 3.23Å; K139-E143 PolarHBondContact O-N 3.01Å; E143-A145 VanDerWaalsContact C-N 3.31Å; E143-A145 PolarHBondContact O-N 3.46Å; E143-Q146 PolarHBondContact O-N 3.03Å; E143-Q147 WeakPolarHBondContact O-CG 3.47Å; E143-Q147 PolarHBondContact O-N 3.37Å; E143-K394 IonicContact OE2-NZ 2.92Å; E143-K394 PolarHBondContact OE2-NZ 2.9Å
144	L	83.8	Confident	81.9	Confident	14 Å²	14	63.6 Å²	63.6	7%	0.073	30%	0.302	C	S	.	.	H	α-helix	trans	-58.7	-43	175.7	174.4	56.3	0	0	0	111.5	D140 R141 Q146 Q147 Y148 L358 I393 K394 V396	D140-L144 WeakPolarHBondContact O-CB 3.38Å; D140-L144 PolarHBondContact O-N 3.49Å; R141-L144 PolarHBondContact O-N 2.88Å; L144-Q146 VanDerWaalsContact C-N 3.32Å; L144-Q146 PolarHBondContact O-N 3.28Å; L144-Q147 PolarHBondContact O-N 2.76Å; L144-Y148 WeakPolarHBondContact O-CB 3.49Å; L144-Y148 PolarHBondContact O-N 3.3Å; L144-L358 HydrophobicContact CD1-CD1 4.21Å; L144-L358 HydrophobicContact CD2-CB 4.34Å; L144-I393 HydrophobicContact CD1-CG2 3.55Å; L144-K394 VanDerWaalsContact CD1-O 3.28Å; L144-K394 WeakPolarHBondContact CD1-O 3.45Å; L144-V396 HydrophobicContact CD2-CG2 3.92Å
145	A	82.2	Confident	82.5	Confident	4 Å²	4	57.8 Å²	57.8	3%	0.033	28%	0.275	C	S	.	.	H	α-helix	trans	-60.7	-41.2	177.5	0	0	0	0	0	112.2	R141 E142 E143 E149 V735 L736	R141-A145 WeakPolarHBondContact O-CB 3.36Å; R141-A145 PolarHBondContact O-N 3.26Å; E142-A145 PolarHBondContact O-N 3.38Å; E143-A145 VanDerWaalsContact C-N 3.31Å; E143-A145 PolarHBondContact O-N 3.46Å; A145-E149 PolarHBondContact O-N 3.07Å; A145-E149 VanDerWaalsContact O-N 3.16Å; A145-V735 HydrophobicContact CB-CG1 4.21Å; A145-L736 WeakPolarHBondContact CB-O 3.43Å
146	Q	83.8	Confident	83	Confident	122 Å²	122	57.2 Å²	57.2	57%	0.57	27%	0.269	S	S	*	.	H	α-helix	trans	-69.5	-46.2	177.1	-69.7	175.2	9.3	0	0	112.2	E142 E143 L144 Y148 E149 T150	E142-Q146 WeakPolarHBondContact O-CG 3.47Å; E142-Q146 PolarHBondContact O-N 3.2Å; E142-Q146 VanDerWaalsContact O-N 3.16Å; E143-Q146 PolarHBondContact O-N 3.03Å; L144-Q146 VanDerWaalsContact C-N 3.32Å; L144-Q146 PolarHBondContact O-N 3.28Å; Q146-Y148 VanDerWaalsContact C-N 3.31Å; Q146-Y148 PolarHBondContact O-N 3.39Å; Q146-E149 PolarHBondContact O-N 3.42Å; Q146-T150 PolarHBondContact O-N 3.49Å; Q146-T150 PolarHBondContact O-OG1 2.89Å
147	Q	86.4	Confident	83.4	Confident	81 Å²	81	54.1 Å²	54.1	38%	0.379	25%	0.254	S	S	.	.	H	α-helix	trans	-57.4	-47.1	175.5	-74.1	-175.3	-11.6	0	0	110.7	E143 L144 E149 T150 I151	E143-Q147 WeakPolarHBondContact O-CG 3.47Å; E143-Q147 PolarHBondContact O-N 3.37Å; L144-Q147 PolarHBondContact O-N 2.76Å; Q147-E149 VanDerWaalsContact C-N 3.31Å; Q147-E149 PolarHBondContact O-N 3.07Å; Q147-T150 WeakPolarHBondContact O-CB 3.16Å; Q147-T150 PolarHBondContact O-N 3.37Å; Q147-I151 WeakPolarHBondContact O-CG1 3.39Å; Q147-I151 PolarHBondContact O-N 2.94Å
148	Y	86.5	Confident	84.1	Confident	3 Å²	3	53.6 Å²	53.6	1%	0.012	25%	0.254	C	S	.	.	H	α-helix	trans	-60.3	-38.5	179.8	-174.4	-99.6	0	0	0	113.2	L144 Q146 I151 L152 E278 P354 R355 L358 L370	L144-Y148 WeakPolarHBondContact O-CB 3.49Å; L144-Y148 PolarHBondContact O-N 3.3Å; Q146-Y148 VanDerWaalsContact C-N 3.31Å; Q146-Y148 PolarHBondContact O-N 3.39Å; Y148-I151 PolarHBondContact O-N 2.92Å; Y148-L152 HydrophobicContact CD1-CD1 3.79Å; Y148-L152 HydrophobicContact CD1-CG 4.47Å; Y148-L152 HydrophobicContact CE1-CD1 3.23Å; Y148-L152 HydrophobicContact CE1-CG 3.97Å; Y148-L152 PolarHBondContact O-N 2.92Å; Y148-E278 PolarHBondContact OH-O 3.5Å; Y148-P354 HydrophobicContact CE2-CB 4.43Å; Y148-P354 HydrophobicContact CE2-CG 4.25Å; Y148-P354 VanDerWaalsContact OH-CG 3.25Å; Y148-P354 WeakPolarHBondContact OH-CG 3.39Å; Y148-R355 HydrophobicContact CE1-CB 4.38Å; Y148-R355 HydrophobicContact CE2-CB 4.47Å; Y148-L358 HydrophobicContact CD2-CD1 3.58Å; Y148-L358 HydrophobicContact CE2-CD1 3.97Å; Y148-L370 HydrophobicContact CE2-CD1 4.26Å; Y148-L370 HydrophobicContact CE2-CD2 3.99Å
149	E	85.3	Confident	84.8	Confident	10 Å²	10	53 Å²	53	5%	0.047	26%	0.255	C	S	.	.	H	α-helix	trans	-64.3	-44.1	176	-174.8	61.1	-149	0	0	111.7	A145 Q146 Q147 I151 L152 Q153 A281 Q282 V735	A145-E149 PolarHBondContact O-N 3.07Å; A145-E149 VanDerWaalsContact O-N 3.16Å; Q146-E149 PolarHBondContact O-N 3.42Å; Q147-E149 VanDerWaalsContact C-N 3.31Å; Q147-E149 PolarHBondContact O-N 3.07Å; E149-I151 VanDerWaalsContact C-N 3.29Å; E149-I151 PolarHBondContact O-N 3.45Å; E149-L152 PolarHBondContact O-N 2.9Å; E149-Q153 WeakPolarHBondContact O-CG 3.49Å; E149-Q153 PolarHBondContact O-N 3.24Å; E149-A281 WeakPolarHBondContact OE1-CA 3.28Å; E149-Q282 VanDerWaalsContact OE1-CB 3.25Å; E149-Q282 WeakPolarHBondContact OE1-CB 3.11Å; E149-Q282 PolarHBondContact OE1-N 3.29Å; E149-V735 HydrophobicContact CB-CG1 4.27Å
150	T	86	Confident	85.4	Confident	89 Å²	89	47.4 Å²	47.4	55%	0.546	23%	0.231	S	C	.	.	H	α-helix	trans	-59.6	-41.9	175.3	-53.8	0	0	0	0	111.4	Q146 Q147 L152 Q153 E154	Q146-T150 PolarHBondContact O-N 3.49Å; Q146-T150 PolarHBondContact O-OG1 2.89Å; Q147-T150 WeakPolarHBondContact O-CB 3.16Å; Q147-T150 PolarHBondContact O-N 3.37Å; T150-L152 PolarHBondContact O-N 3.37Å; T150-Q153 WeakPolarHBondContact O-CB 3.4Å; T150-Q153 PolarHBondContact O-N 2.92Å; T150-E154 PolarHBondContact O-N 2.98Å
151	I	87.7	Confident	86	Confident	8 Å²	8	46.4 Å²	46.4	4%	0.041	23%	0.225	C	C	.	.	H	α-helix	trans	-63.1	-42.8	177.1	-62	165.4	0	0	0	111	Q147 Y148 E149 Q153 E154 C155 L370 F388 V390 I393	Q147-I151 WeakPolarHBondContact O-CG1 3.39Å; Q147-I151 PolarHBondContact O-N 2.94Å; Y148-I151 PolarHBondContact O-N 2.92Å; E149-I151 VanDerWaalsContact C-N 3.29Å; E149-I151 PolarHBondContact O-N 3.45Å; I151-Q153 VanDerWaalsContact C-N 3.32Å; I151-Q153 PolarHBondContact O-N 3.38Å; I151-E154 PolarHBondContact O-N 3.2Å; I151-C155 PolarHBondContact O-N 3.4Å; I151-C155 PolarHBondContact O-SG 2.65Å; I151-L370 HydrophobicContact CG2-CD1 4.15Å; I151-L370 HydrophobicContact CG2-CD2 4.26Å; I151-F388 HydrophobicContact CG2-CE2 3.8Å; I151-F388 HydrophobicContact CG2-CZ 3.65Å; I151-V390 HydrophobicContact CD1-CG1 3.83Å; I151-V390 HydrophobicContact CD1-CG2 4.42Å; I151-V390 HydrophobicContact CG1-CB 4.47Å; I151-V390 HydrophobicContact CG1-CG1 4.08Å; I151-V390 HydrophobicContact CG1-CG2 3.74Å; I151-V390 HydrophobicContact CG2-CG2 4.35Å; I151-I393 HydrophobicContact CD1-CD1 3.98Å; I151-I393 HydrophobicContact CD1-CG1 3.87Å
152	L	87.1	Confident	86.7	Confident	4 Å²	4	47.5 Å²	47.5	2%	0.021	23%	0.23	C	C	.	.	H	α-helix	trans	-65.1	-35.9	176.8	-89	171.1	0	0	0	112.5	Y148 E149 T150 E154 C155 G156	Y148-L152 HydrophobicContact CD1-CD1 3.79Å; Y148-L152 HydrophobicContact CD1-CG 4.47Å; Y148-L152 HydrophobicContact CE1-CD1 3.23Å; Y148-L152 HydrophobicContact CE1-CG 3.97Å; Y148-L152 PolarHBondContact O-N 2.92Å; E149-L152 PolarHBondContact O-N 2.9Å; T150-L152 PolarHBondContact O-N 3.37Å; L152-E154 VanDerWaalsContact C-N 3.35Å; L152-C155 PolarHBondContact O-N 2.92Å; L152-G156 PolarHBondContact O-N 3.44Å; L152-G156 VanDerWaalsContact O-N 3.08Å
153	Q	86.1	Confident	87.4	Confident	107 Å²	107	46.7 Å²	46.7	50%	0.5	23%	0.23	S	C	.	.	H	α-helix	trans	-64	-41.4	174	-70.8	175.5	9.8	0	0	111.2	E149 T150 I151 G156	E149-Q153 WeakPolarHBondContact O-CG 3.49Å; E149-Q153 PolarHBondContact O-N 3.24Å; T150-Q153 WeakPolarHBondContact O-CB 3.4Å; T150-Q153 PolarHBondContact O-N 2.92Å; I151-Q153 VanDerWaalsContact C-N 3.32Å; I151-Q153 PolarHBondContact O-N 3.38Å; Q153-G156 PolarHBondContact O-N 3.22Å
154	E	85.4	Confident	87.9	Confident	61 Å²	61	42.7 Å²	42.7	29%	0.285	21%	0.211	S	C	.	.	H	α-helix	trans	-64.6	-44.2	174.2	-172.3	-177	166.8	0	0	112.3	T150 I151 L152 G156 M378 S389	T150-E154 PolarHBondContact O-N 2.98Å; I151-E154 PolarHBondContact O-N 3.2Å; L152-E154 VanDerWaalsContact C-N 3.35Å; E154-G156 PolarHBondContact O-N 2.98Å; E154-G156 VanDerWaalsContact O-N 3.15Å; E154-M378 WeakPolarHBondContact O-CE 3.39Å; E154-S389 VanDerWaalsContact OE1-CB 3.26Å; E154-S389 WeakPolarHBondContact OE1-CB 3.35Å; E154-S389 PolarHBondContact OE1-N 3.36Å; E154-S389 PolarHBondContact OE1-OG 2.91Å; E154-S389 PolarHBondContact OE2-OG 2.89Å
155	C	85.8	Confident	88.5	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-56.7	-29.8	173	-67.3	0	0	0	0	112.4	I151 L152 V373 H374 N377 M378	I151-C155 PolarHBondContact O-N 3.4Å; I151-C155 PolarHBondContact O-SG 2.65Å; L152-C155 PolarHBondContact O-N 2.92Å; C155-V373 HydrophobicContact CB-CG1 4.36Å; C155-H374 HydrophobicContact CB-CB 4.39Å; C155-N377 WeakPolarHBondContact O-CB 3.48Å; C155-N377 PolarHBondContact O-ND2 3.47Å; C155-M378 WeakPolarHBondContact O-CE 3.38Å
156	G	84.3	Confident	89.1	Confident	15 Å²	15	48 Å²	48	16%	0.155	23%	0.232	C	C	.	.			trans	63	171.2	-178.2	0	0	0	0	0	113.6	L152 Q153 E154 Q161 N377	L152-G156 PolarHBondContact O-N 3.44Å; L152-G156 VanDerWaalsContact O-N 3.08Å; Q153-G156 PolarHBondContact O-N 3.22Å; E154-G156 PolarHBondContact O-N 2.98Å; E154-G156 VanDerWaalsContact O-N 3.15Å; G156-Q161 PolarHBondContact O-NE2 3.39Å; G156-N377 PolarHBondContact O-ND2 3.02Å
157	H	87.3	Confident	89.7	Confident	48 Å²	48	42.7 Å²	42.7	22%	0.222	21%	0.208	C	C	.	.	S	Bend	trans	-92	132.7	172.5	-168.5	92.2	0	0	0	110.6	Q161 W162 H288 K381	H157-Q161 VanDerWaalsContact CE1-CB 3.42Å; H157-Q161 WeakPolarHBondContact CE1-CB 3.3Å; H157-W162 AromaticContact CD2-NE1 3.86Å; H157-W162 AromaticContact NE2-CD1 3.71Å; H157-W162 AromaticContact NE2-CE2 3.97Å; H157-W162 AromaticContact NE2-NE1 3.35Å; H157-W162 PolarHBondContact NE2-NE1 3.36Å; H157-H288 AromaticContact CE1-CD2 3.78Å; H157-H288 AromaticContact CE1-CE1 3.37Å; H157-H288 PolarHBondContact CE1-CE1 2.96Å; H157-H288 AromaticContact CE1-ND1 3.96Å; H157-H288 AromaticContact CE1-NE2 3.24Å; H157-H288 PolarHBondContact CE1-NE2 3.14Å; H157-H288 AromaticContact ND1-NE2 3.8Å; H157-H288 AromaticContact NE2-CE1 3.35Å; H157-H288 PolarHBondContact NE2-CE1 3.07Å; H157-H288 VanDerWaalsContact NE2-CE1 3.35Å; H157-H288 AromaticContact NE2-NE2 3.46Å; H157-H288 PolarHBondContact NE2-NE2 3.11Å; H157-K381 VanDerWaalsContact O-CE 3.3Å; H157-K381 WeakPolarHBondContact O-CE 3.39Å; H157-K381 PolarHBondContact O-NZ 3.48Å
158	G	89	Confident	90.2	Very high	12 Å²	12	38.8 Å²	38.8	12%	0.124	19%	0.19	C	C	.	.	S	Bend	trans	-165.1	-150.4	-175.9	0	0	0	0	0	114.2	F160 Q161 W162 N377	G158-F160 VanDerWaalsContact C-N 3.26Å; G158-F160 PolarHBondContact O-N 3.28Å; G158-Q161 PolarHBondContact O-N 2.83Å; G158-Q161 PolarHBondContact O-OE1 2.78Å; G158-W162 PolarHBondContact O-N 2.92Å; G158-N377 VanDerWaalsContact CA-OD1 3.27Å; G158-N377 WeakPolarHBondContact CA-OD1 3.3Å
159	K	91	Very high	90.6	Very high	133 Å²	133	38.7 Å²	38.7	58%	0.578	19%	0.19	S	C	*	.	H	α-helix	trans	-59.9	-34.9	-173.2	-176.3	-178.6	177.9	-176.3	0	112.6	T163 T376 N377 A380	K159-T163 WeakPolarHBondContact O-CB 3.41Å; K159-T163 PolarHBondContact O-N 3.32Å; K159-T163 PolarHBondContact O-OG1 3.02Å; K159-T376 HydrophobicContact CB-CG2 4.41Å; K159-N377 PolarHBondContact N-OD1 3.08Å; K159-N377 VanDerWaalsContact N-OD1 3.14Å; K159-A380 HydrophobicContact CB-CB 3.78Å; K159-A380 HydrophobicContact CD-CB 4.43Å
160	F	93	Very high	91.1	Very high	11 Å²	11	40.8 Å²	40.8	5%	0.048	20%	0.201	C	C	.	.	H	α-helix	trans	-63.7	-50.6	-179.1	-175.9	-87.1	0	0	0	111.1	G158 W162 T163 L164 F279 P351 V373 T376 N377	G158-F160 VanDerWaalsContact C-N 3.26Å; G158-F160 PolarHBondContact O-N 3.28Å; F160-W162 VanDerWaalsContact C-N 3.35Å; F160-W162 PolarHBondContact O-N 3.36Å; F160-T163 WeakPolarHBondContact O-CB 3.31Å; F160-T163 PolarHBondContact O-N 3.02Å; F160-T163 VanDerWaalsContact O-N 3.13Å; F160-L164 HydrophobicContact CE1-CD2 4.28Å; F160-L164 WeakPolarHBondContact O-CB 3.35Å; F160-L164 PolarHBondContact O-N 3.22Å; F160-F279 HydrophobicContact CD1-CD1 4.42Å; F160-F279 AromaticContact CE1-CD1 3.63Å; F160-F279 HydrophobicContact CE1-CD1 3.63Å; F160-F279 AromaticContact CE1-CE1 3.71Å; F160-F279 HydrophobicContact CE1-CE1 3.71Å; F160-F279 HydrophobicContact CE1-CG 4.29Å; F160-F279 HydrophobicContact CE1-CZ 4.44Å; F160-F279 HydrophobicContact CZ-CD1 4.43Å; F160-F279 HydrophobicContact CZ-CE1 4.06Å; F160-P351 HydrophobicContact CE2-CG 4.1Å; F160-P351 HydrophobicContact CZ-CG 3.73Å; F160-V373 HydrophobicContact CB-CG1 4.38Å; F160-V373 HydrophobicContact CD1-CB 4.36Å; F160-V373 HydrophobicContact CD1-CG1 3.98Å; F160-V373 HydrophobicContact CD1-CG2 3.69Å; F160-V373 HydrophobicContact CD2-CG2 4.18Å; F160-V373 HydrophobicContact CE1-CG2 3.58Å; F160-V373 HydrophobicContact CE2-CG2 4.08Å; F160-V373 HydrophobicContact CG-CB 4.43Å; F160-V373 HydrophobicContact CG-CG1 4.23Å; F160-V373 HydrophobicContact CG-CG2 4Å; F160-V373 HydrophobicContact CZ-CG2 3.78Å; F160-T376 HydrophobicContact CB-CG2 4.02Å; F160-N377 WeakPolarHBondContact CB-OD1 3.3Å; F160-N377 PolarHBondContact N-OD1 3.17Å; F160-N377 VanDerWaalsContact N-OD1 3.07Å
161	Q	93.4	Very high	91.6	Very high	4 Å²	4	36.7 Å²	36.7	2%	0.019	18%	0.176	C	C	.	.	H	α-helix	trans	-63.6	-39	-179.6	-66.8	88	-11.3	0	0	112.2	G156 H157 G158 L164 Y165 N377	G156-Q161 PolarHBondContact O-NE2 3.39Å; H157-Q161 VanDerWaalsContact CE1-CB 3.42Å; H157-Q161 WeakPolarHBondContact CE1-CB 3.3Å; G158-Q161 PolarHBondContact O-N 2.83Å; G158-Q161 PolarHBondContact O-OE1 2.78Å; Q161-L164 PolarHBondContact O-N 3.35Å; Q161-Y165 VanDerWaalsContact O-CB 3.26Å; Q161-Y165 WeakPolarHBondContact O-CB 3.23Å; Q161-Y165 PolarHBondContact O-N 2.96Å; Q161-N377 PolarHBondContact NE2-ND2 3.02Å; Q161-N377 PolarHBondContact OE1-ND2 3.25Å; Q161-N377 PolarHBondContact OE1-OD1 3.39Å
162	W	93.4	Very high	91.9	Very high	114 Å²	114	36.4 Å²	36.4	43%	0.432	18%	0.175	S	C	.	.	H	α-helix	trans	-65.5	-38.2	173.6	-79.9	104.4	0	0	0	112.7	H157 G158 F160 Y165 F166	H157-W162 AromaticContact CD2-NE1 3.86Å; H157-W162 AromaticContact NE2-CD1 3.71Å; H157-W162 AromaticContact NE2-CE2 3.97Å; H157-W162 AromaticContact NE2-NE1 3.35Å; H157-W162 PolarHBondContact NE2-NE1 3.36Å; G158-W162 PolarHBondContact O-N 2.92Å; F160-W162 VanDerWaalsContact C-N 3.35Å; F160-W162 PolarHBondContact O-N 3.36Å; W162-Y165 AromaticContact CE3-CD1 3.78Å; W162-Y165 HydrophobicContact CE3-CD1 3.78Å; W162-Y165 HydrophobicContact CE3-CE1 4.22Å; W162-Y165 HydrophobicContact CE3-CG 4.37Å; W162-Y165 AromaticContact CZ3-CD1 3.89Å; W162-Y165 HydrophobicContact CZ3-CD1 3.89Å; W162-Y165 AromaticContact CZ3-CE1 3.88Å; W162-Y165 HydrophobicContact CZ3-CE1 3.88Å; W162-Y165 WeakPolarHBondContact O-CB 3.26Å; W162-Y165 PolarHBondContact O-N 3.14Å; W162-F166 HydrophobicContact CE3-CE2 4.2Å; W162-F166 WeakPolarHBondContact O-CD2 3.2Å; W162-F166 PolarHBondContact O-N 3.28Å; W162-F166 VanDerWaalsContact O-N 3.11Å
163	T	94.4	Very high	92.3	Very high	56 Å²	56	37.2 Å²	37.2	34%	0.344	18%	0.179	S	C	.	.	H	α-helix	trans	-64.2	-47.1	175.6	-54.3	0	0	0	0	110.2	K159 F160 Y165 F166 V167 M350	K159-T163 WeakPolarHBondContact O-CB 3.41Å; K159-T163 PolarHBondContact O-N 3.32Å; K159-T163 PolarHBondContact O-OG1 3.02Å; F160-T163 WeakPolarHBondContact O-CB 3.31Å; F160-T163 PolarHBondContact O-N 3.02Å; F160-T163 VanDerWaalsContact O-N 3.13Å; T163-Y165 VanDerWaalsContact C-N 3.31Å; T163-Y165 PolarHBondContact O-N 2.84Å; T163-F166 PolarHBondContact O-N 3.17Å; T163-V167 HydrophobicContact CG2-CG2 4.44Å; T163-V167 WeakPolarHBondContact O-CG2 3.35Å; T163-V167 PolarHBondContact O-N 3.28Å; T163-M350 HydrophobicContact CG2-CE 3.64Å
164	L	94.6	Very high	92.7	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-60	-41.8	176.2	-175	62.5	0	0	0	111.7	F160 Q161 F166 V167 L168 Y275 Y276 F279 M350	F160-L164 HydrophobicContact CE1-CD2 4.28Å; F160-L164 WeakPolarHBondContact O-CB 3.35Å; F160-L164 PolarHBondContact O-N 3.22Å; Q161-L164 PolarHBondContact O-N 3.35Å; L164-F166 PolarHBondContact O-N 3.13Å; L164-V167 PolarHBondContact O-N 3.38Å; L164-L168 HydrophobicContact CD1-CD1 3.83Å; L164-L168 HydrophobicContact CD1-CG 3.94Å; L164-L168 HydrophobicContact CD2-CD1 4.41Å; L164-L168 HydrophobicContact CG-CD1 3.78Å; L164-L168 HydrophobicContact CG-CG 4.24Å; L164-L168 WeakPolarHBondContact O-CB 3.07Å; L164-L168 VanDerWaalsContact O-CG 3.29Å; L164-L168 WeakPolarHBondContact O-CG 3.25Å; L164-L168 PolarHBondContact O-N 2.51Å; L164-Y275 HydrophobicContact CD1-CD1 4.34Å; L164-Y275 HydrophobicContact CD1-CE1 3.58Å; L164-Y276 HydrophobicContact CD2-CD2 3.96Å; L164-Y276 HydrophobicContact CG-CD2 4.08Å; L164-F279 HydrophobicContact CD2-CB 3.87Å; L164-F279 HydrophobicContact CD2-CD2 3.45Å; L164-F279 VanDerWaalsContact CD2-CD2 3.45Å; L164-F279 HydrophobicContact CD2-CE2 4.06Å; L164-F279 HydrophobicContact CD2-CG 3.7Å; L164-M350 HydrophobicContact CD1-CG 4.13Å; L164-M350 HydrophobicContact CD1-SD 4.03Å
165	Y	95.3	Very high	93.1	Very high	15 Å²	15	29.4 Å²	29.4	6%	0.059	14%	0.143	C	C	.	.	H	α-helix	trans	-55.5	-47.3	174.7	170.3	-100.1	0	0	0	112.5	Q161 W162 T163 G169 Y276 W291 L292 F295	Q161-Y165 VanDerWaalsContact O-CB 3.26Å; Q161-Y165 WeakPolarHBondContact O-CB 3.23Å; Q161-Y165 PolarHBondContact O-N 2.96Å; W162-Y165 AromaticContact CE3-CD1 3.78Å; W162-Y165 HydrophobicContact CE3-CD1 3.78Å; W162-Y165 HydrophobicContact CE3-CE1 4.22Å; W162-Y165 HydrophobicContact CE3-CG 4.37Å; W162-Y165 AromaticContact CZ3-CD1 3.89Å; W162-Y165 HydrophobicContact CZ3-CD1 3.89Å; W162-Y165 AromaticContact CZ3-CE1 3.88Å; W162-Y165 HydrophobicContact CZ3-CE1 3.88Å; W162-Y165 WeakPolarHBondContact O-CB 3.26Å; W162-Y165 PolarHBondContact O-N 3.14Å; T163-Y165 VanDerWaalsContact C-N 3.31Å; T163-Y165 PolarHBondContact O-N 2.84Å; Y165-G169 WeakPolarHBondContact O-CA 3.22Å; Y165-G169 PolarHBondContact O-N 3.45Å; Y165-Y276 HydrophobicContact CD2-CE1 4.03Å; Y165-Y276 AromaticContact CD2-CZ 3.93Å; Y165-W291 HydrophobicContact CE2-CB 3.83Å; Y165-W291 PolarHBondContact OH-O 3.31Å; Y165-L292 HydrophobicContact CD2-CB 4.31Å; Y165-L292 HydrophobicContact CD2-CD1 4.06Å; Y165-L292 HydrophobicContact CE2-CB 4.08Å; Y165-L292 HydrophobicContact CE2-CD1 4.29Å; Y165-F295 HydrophobicContact CD1-CE2 4.2Å; Y165-F295 AromaticContact CE1-CE2 3.53Å; Y165-F295 HydrophobicContact CE1-CE2 3.53Å; Y165-F295 HydrophobicContact CE1-CZ 4.05Å; Y165-F295 HydrophobicContact CE2-CE2 4.16Å; Y165-F295 AromaticContact CZ-CE2 3.5Å
166	F	95.6	Very high	93.4	Very high	114 Å²	114	29.4 Å²	29.4	50%	0.5	14%	0.143	S	C	.	.	H	α-helix	trans	-68.7	-40.3	177.3	-75.1	-68.2	0	0	0	112.4	W162 T163 L164 G169 L170 F295	W162-F166 HydrophobicContact CE3-CE2 4.2Å; W162-F166 WeakPolarHBondContact O-CD2 3.2Å; W162-F166 PolarHBondContact O-N 3.28Å; W162-F166 VanDerWaalsContact O-N 3.11Å; T163-F166 PolarHBondContact O-N 3.17Å; L164-F166 PolarHBondContact O-N 3.13Å; F166-G169 PolarHBondContact O-N 2.63Å; F166-L170 WeakPolarHBondContact O-CG 3.33Å; F166-L170 PolarHBondContact O-N 3.01Å; F166-F295 HydrophobicContact CD1-CE1 4.4Å; F166-F295 AromaticContact CD1-CZ 3.69Å; F166-F295 HydrophobicContact CD1-CZ 3.69Å; F166-F295 HydrophobicContact CE1-CZ 4.05Å
167	V	95.9	Very high	93.8	Very high	11 Å²	11	28.7 Å²	28.7	7%	0.067	14%	0.135	C	C	.	.	H	α-helix	trans	-61.6	-48	178.6	174.1	0	0	0	0	110.9	T163 L164 L170 A171 A346 L347 M350	T163-V167 HydrophobicContact CG2-CG2 4.44Å; T163-V167 WeakPolarHBondContact O-CG2 3.35Å; T163-V167 PolarHBondContact O-N 3.28Å; L164-V167 PolarHBondContact O-N 3.38Å; V167-L170 PolarHBondContact O-N 3.43Å; V167-A171 PolarHBondContact O-N 3.18Å; V167-A346 HydrophobicContact CB-CB 4.44Å; V167-A346 HydrophobicContact CG1-CB 3.95Å; V167-A346 HydrophobicContact CG2-CB 4.1Å; V167-L347 HydrophobicContact CG1-CB 4.19Å; V167-L347 HydrophobicContact CG1-CD1 4.18Å; V167-M350 HydrophobicContact CB-CG 4.33Å; V167-M350 HydrophobicContact CG1-CG 3.93Å; V167-M350 HydrophobicContact CG2-CE 3.98Å; V167-M350 HydrophobicContact CG2-CG 4.12Å; V167-M350 HydrophobicContact CG2-SD 4.22Å
168	L	96.3	Very high	94	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-72.8	-31	178.2	-63.7	-178.3	0	0	0	112.5	L164 L170 A171 L172 L231 V272 Y275 Y276 L292 L347	L164-L168 HydrophobicContact CD1-CD1 3.83Å; L164-L168 HydrophobicContact CD1-CG 3.94Å; L164-L168 HydrophobicContact CD2-CD1 4.41Å; L164-L168 HydrophobicContact CG-CD1 3.78Å; L164-L168 HydrophobicContact CG-CG 4.24Å; L164-L168 WeakPolarHBondContact O-CB 3.07Å; L164-L168 VanDerWaalsContact O-CG 3.29Å; L164-L168 WeakPolarHBondContact O-CG 3.25Å; L164-L168 PolarHBondContact O-N 2.51Å; L168-L170 VanDerWaalsContact C-N 3.33Å; L168-L170 PolarHBondContact O-N 3.07Å; L168-A171 WeakPolarHBondContact O-CB 3.35Å; L168-A171 PolarHBondContact O-N 2.66Å; L168-L172 PolarHBondContact O-N 3.43Å; L168-L231 HydrophobicContact CD2-CD2 3.87Å; L168-V272 HydrophobicContact CB-CG1 3.85Å; L168-V272 HydrophobicContact CD2-CG2 4.33Å; L168-Y275 HydrophobicContact CD1-CD1 3.6Å; L168-Y275 HydrophobicContact CD1-CE1 4.13Å; L168-Y275 HydrophobicContact CD1-CG 4.48Å; L168-Y275 HydrophobicContact CD2-CD1 3.5Å; L168-Y275 VanDerWaalsContact CD2-CD1 3.5Å; L168-Y275 HydrophobicContact CD2-CE1 3.78Å; L168-Y275 HydrophobicContact CG-CD1 4.11Å; L168-Y275 HydrophobicContact CG-CE1 4.37Å; L168-Y276 HydrophobicContact CD1-CD2 4.1Å; L168-Y276 HydrophobicContact CD1-CG 4.15Å; L168-L292 HydrophobicContact CB-CD1 4.18Å; L168-L347 HydrophobicContact CD2-CD1 4.22Å
169	G	95.9	Very high	94	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-57.3	-44.3	168.4	0	0	0	0	0	112.1	Y165 F166 A171 L172 M173 F295	Y165-G169 WeakPolarHBondContact O-CA 3.22Å; Y165-G169 PolarHBondContact O-N 3.45Å; F166-G169 PolarHBondContact O-N 2.63Å; G169-A171 VanDerWaalsContact C-N 3.29Å; G169-A171 PolarHBondContact O-N 2.98Å; G169-L172 PolarHBondContact O-N 3.01Å; G169-M173 WeakPolarHBondContact O-CB 3.31Å; G169-M173 PolarHBondContact O-N 3.19Å; G169-F295 VanDerWaalsContact CA-CD2 3.43Å; G169-F295 WeakPolarHBondContact O-CB 3.47Å; G169-F295 WeakPolarHBondContact O-CG 3.17Å
170	L	95.3	Very high	93.9	Very high	55 Å²	55	23 Å²	23	29%	0.288	11%	0.107	S	C	.	.	H	α-helix	trans	-61.8	-35.7	175.5	-68.9	174.5	0	0	0	112.7	F166 V167 L168 M173 A174 A343 A346	F166-L170 WeakPolarHBondContact O-CG 3.33Å; F166-L170 PolarHBondContact O-N 3.01Å; V167-L170 PolarHBondContact O-N 3.43Å; L168-L170 VanDerWaalsContact C-N 3.33Å; L168-L170 PolarHBondContact O-N 3.07Å; L170-M173 HydrophobicContact CD2-SD 4.27Å; L170-M173 WeakPolarHBondContact O-CB 3.48Å; L170-M173 PolarHBondContact O-N 3.11Å; L170-A174 PolarHBondContact O-N 2.45Å; L170-A343 HydrophobicContact CB-CB 3.99Å; L170-A346 HydrophobicContact CD1-CB 4.46Å
171	A	95.9	Very high	93.7	Very high	2 Å²	2	22.5 Å²	22.5	2%	0.017	11%	0.105	C	C	.	.	H	α-helix	trans	-65.3	-43.8	174.9	0	0	0	0	0	112	V167 L168 G169 A174 D175 L235 V272 A343	V167-A171 PolarHBondContact O-N 3.18Å; L168-A171 WeakPolarHBondContact O-CB 3.35Å; L168-A171 PolarHBondContact O-N 2.66Å; G169-A171 VanDerWaalsContact C-N 3.29Å; G169-A171 PolarHBondContact O-N 2.98Å; A171-A174 WeakPolarHBondContact O-CB 3.38Å; A171-A174 PolarHBondContact O-N 3.21Å; A171-D175 PolarHBondContact O-N 3.37Å; A171-D175 VanDerWaalsContact O-N 3.08Å; A171-L235 HydrophobicContact CB-CD1 3.92Å; A171-V272 HydrophobicContact CB-CG2 3.98Å; A171-A343 HydrophobicContact CB-CB 4.29Å
172	L	94.8	Very high	93.3	Very high	2 Å²	2	22.9 Å²	22.9	1%	0.01	11%	0.108	C	C	.	.	H	α-helix	trans	-69.2	-32.5	174.8	-71.1	174.3	0	0	0	113.1	L168 G169 A174 D175 G176 I269 V272 F273 L292 F295	L168-L172 PolarHBondContact O-N 3.43Å; G169-L172 PolarHBondContact O-N 3.01Å; L172-A174 VanDerWaalsContact C-N 3.32Å; L172-D175 PolarHBondContact O-N 2.68Å; L172-G176 PolarHBondContact O-N 3Å; L172-I269 HydrophobicContact CD2-CG1 4.12Å; L172-V272 HydrophobicContact CD1-CG1 3.77Å; L172-V272 HydrophobicContact CD2-CB 4.29Å; L172-V272 HydrophobicContact CD2-CG1 4.14Å; L172-V272 HydrophobicContact CG-CB 4.36Å; L172-V272 HydrophobicContact CG-CG1 3.77Å; L172-V272 HydrophobicContact CG-CG2 4.5Å; L172-F273 HydrophobicContact CD1-CE2 4.16Å; L172-F273 HydrophobicContact CD2-CE2 4.26Å; L172-L292 HydrophobicContact CD1-CD1 4.01Å; L172-L292 HydrophobicContact CD1-CD2 4.05Å; L172-L292 HydrophobicContact CD1-CG 3.54Å; L172-F295 HydrophobicContact CB-CB 4.21Å
173	M	95.2	Very high	92.6	Very high	22 Å²	22	20 Å²	20	11%	0.108	11%	0.113	C	C	.	.	H	α-helix	trans	-61.6	-44	171.6	-178.7	-172.8	169.5	0	0	110.2	G169 L170 D175 G176 V177 F295 I298 G299 Y302 P339	G169-M173 WeakPolarHBondContact O-CB 3.31Å; G169-M173 PolarHBondContact O-N 3.19Å; L170-M173 HydrophobicContact CD2-SD 4.27Å; L170-M173 WeakPolarHBondContact O-CB 3.48Å; L170-M173 PolarHBondContact O-N 3.11Å; M173-D175 VanDerWaalsContact C-N 3.33Å; M173-D175 PolarHBondContact O-N 3.39Å; M173-G176 PolarHBondContact O-N 2.84Å; M173-V177 VanDerWaalsContact O-CG2 3.26Å; M173-V177 WeakPolarHBondContact O-CG2 3.36Å; M173-V177 PolarHBondContact O-N 2.91Å; M173-F295 WeakPolarHBondContact CA-O 3.38Å; M173-I298 HydrophobicContact SD-CG2 4.35Å; M173-G299 WeakPolarHBondContact O-CA 3.15Å; M173-Y302 HydrophobicContact CE-CD1 3.98Å; M173-Y302 HydrophobicContact CE-CD2 3.73Å; M173-Y302 HydrophobicContact CE-CE2 4.41Å; M173-Y302 HydrophobicContact CE-CG 3.47Å; M173-Y302 VanDerWaalsContact CE-CG 3.47Å; M173-P339 HydrophobicContact CE-CB 4.4Å; M173-P339 HydrophobicContact CE-CG 4.02Å; M173-P339 HydrophobicContact SD-CB 4.45Å
174	A	94.5	Very high	92.1	Very high	3 Å²	3	17.9 Å²	17.9	3%	0.025	10%	0.1	C	C	.	.	H	α-helix	trans	-62	-38.9	175.4	0	0	0	0	0	112.4	L170 A171 L172 V177 E178 P339	L170-A174 PolarHBondContact O-N 2.45Å; A171-A174 WeakPolarHBondContact O-CB 3.38Å; A171-A174 PolarHBondContact O-N 3.21Å; L172-A174 VanDerWaalsContact C-N 3.32Å; A174-V177 PolarHBondContact O-N 3.28Å; A174-E178 PolarHBondContact O-N 3.42Å; A174-E178 VanDerWaalsContact O-N 3.15Å; A174-P339 HydrophobicContact CB-CB 4.23Å
175	D	93.4	Very high	91.6	Very high	1 Å²	1	18 Å²	18	1%	0.005	10%	0.1	C	C	.	.	H	α-helix	trans	-61.7	-49.2	173	177.1	70.8	0	0	0	112.5	A171 L172 M173 V177 E178 I179 M211 I265 I269 W296	A171-D175 PolarHBondContact O-N 3.37Å; A171-D175 VanDerWaalsContact O-N 3.08Å; L172-D175 PolarHBondContact O-N 2.68Å; M173-D175 VanDerWaalsContact C-N 3.33Å; M173-D175 PolarHBondContact O-N 3.39Å; D175-V177 VanDerWaalsContact C-N 3.32Å; D175-V177 PolarHBondContact O-N 2.85Å; D175-E178 PolarHBondContact O-N 3Å; D175-I179 PolarHBondContact O-N 3.42Å; D175-M211 WeakPolarHBondContact OD1-CE 3.44Å; D175-I265 HydrophobicContact CB-CD1 3.94Å; D175-I265 HydrophobicContact CB-CG1 3.78Å; D175-I265 VanDerWaalsContact OD1-CG1 3.3Å; D175-I265 WeakPolarHBondContact OD1-CG1 3.1Å; D175-I269 WeakPolarHBondContact OD2-CD1 3.4Å; D175-W296 PolarHBondContact OD2-NE1 3.33Å
176	G	92.1	Very high	90.9	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-56.5	-46.8	175.8	0	0	0	0	0	111.8	L172 M173 E178 I179 F180	L172-G176 PolarHBondContact O-N 3Å; M173-G176 PolarHBondContact O-N 2.84Å; G176-E178 PolarHBondContact O-N 3.4Å; G176-I179 PolarHBondContact O-N 3.03Å; G176-F180 WeakPolarHBondContact O-CD2 3.49Å; G176-F180 PolarHBondContact O-N 3.1Å; G176-F180 VanDerWaalsContact O-N 3.14Å
177	V	93.8	Very high	89.9	Confident	0 Å²	0	16.8 Å²	16.8	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-56.3	-48.4	178.7	171.2	0	0	0	0	111.6	M173 A174 D175 I179 F180 V181 G299 Y302 A303 C336 P339	M173-V177 VanDerWaalsContact O-CG2 3.26Å; M173-V177 WeakPolarHBondContact O-CG2 3.36Å; M173-V177 PolarHBondContact O-N 2.91Å; A174-V177 PolarHBondContact O-N 3.28Å; D175-V177 VanDerWaalsContact C-N 3.32Å; D175-V177 PolarHBondContact O-N 2.85Å; V177-I179 VanDerWaalsContact C-N 3.3Å; V177-I179 PolarHBondContact O-N 3.38Å; V177-F180 PolarHBondContact O-N 2.87Å; V177-V181 HydrophobicContact CG1-CG2 3.76Å; V177-V181 WeakPolarHBondContact O-CB 3.45Å; V177-V181 WeakPolarHBondContact O-CG2 3.38Å; V177-V181 PolarHBondContact O-N 3.43Å; V177-G299 VanDerWaalsContact CG2-O 3.27Å; V177-G299 WeakPolarHBondContact CG2-O 3.37Å; V177-Y302 HydrophobicContact CG2-CD1 3.61Å; V177-Y302 HydrophobicContact CG2-CE1 4.32Å; V177-Y302 HydrophobicContact CG2-CG 4.5Å; V177-A303 HydrophobicContact CG1-CB 4.4Å; V177-A303 HydrophobicContact CG2-CB 4.46Å; V177-C336 HydrophobicContact CG1-CB 3.47Å; V177-C336 VanDerWaalsContact CG1-CB 3.47Å; V177-C336 WeakPolarHBondContact CG1-O 3.46Å; V177-P339 HydrophobicContact CG2-CG 4.46Å
178	E	91.3	Very high	89.1	Confident	5 Å²	5	17.5 Å²	17.5	2%	0.023	11%	0.108	C	C	.	.	H	α-helix	trans	-63.1	-37	-175.3	-168.7	56.3	-151.8	0	0	112.5	A174 D175 G176 R258 I265	A174-E178 PolarHBondContact O-N 3.42Å; A174-E178 VanDerWaalsContact O-N 3.15Å; D175-E178 PolarHBondContact O-N 3Å; G176-E178 PolarHBondContact O-N 3.4Å; E178-R258 IonicContact OE1-CZ 3.57Å; E178-R258 IonicContact OE1-NH1 3.58Å; E178-R258 PolarHBondContact OE1-NH1 2.97Å; E178-R258 IonicContact OE2-NH1 3.46Å; E178-I265 HydrophobicContact CG-CG2 4.38Å
179	I	88.8	Confident	88.2	Confident	17 Å²	17	17.5 Å²	17.5	9%	0.087	11%	0.108	C	C	.	.	H	α-helix	trans	-66.5	-45.1	176.6	-63.1	167.3	0	0	0	111.1	D175 G176 V177 M211 W296	D175-I179 PolarHBondContact O-N 3.42Å; G176-I179 PolarHBondContact O-N 3.03Å; V177-I179 VanDerWaalsContact C-N 3.3Å; V177-I179 PolarHBondContact O-N 3.38Å; I179-M211 HydrophobicContact CD1-CE 3.67Å; I179-M211 HydrophobicContact CD1-SD 4.13Å; I179-M211 HydrophobicContact CG1-CE 3.95Å; I179-M211 HydrophobicContact CG1-SD 3.85Å; I179-W296 HydrophobicContact CD1-CZ2 3.76Å; I179-W296 HydrophobicContact CG2-CZ2 4.48Å
180	F	88.3	Confident	87.2	Confident	51 Å²	51	20.5 Å²	20.5	22%	0.224	12%	0.122	C	C	.	.	H	α-helix	trans	-76.9	-27.7	-176.7	-76.4	-72.2	0	0	0	113.5	G176 V177 V182 G183 F184 W296 A303 T600	G176-F180 WeakPolarHBondContact O-CD2 3.49Å; G176-F180 PolarHBondContact O-N 3.1Å; G176-F180 VanDerWaalsContact O-N 3.14Å; V177-F180 PolarHBondContact O-N 2.87Å; F180-V182 VanDerWaalsContact C-N 3.29Å; F180-V182 PolarHBondContact O-N 3.43Å; F180-G183 PolarHBondContact O-N 3.2Å; F180-F184 HydrophobicContact CB-CE2 4.12Å; F180-F184 WeakPolarHBondContact O-CD2 3.47Å; F180-F184 PolarHBondContact O-N 2.88Å; F180-W296 HydrophobicContact CE2-CE3 4.45Å; F180-W296 AromaticContact CE2-CH2 3.58Å; F180-W296 HydrophobicContact CE2-CH2 3.58Å; F180-W296 HydrophobicContact CE2-CZ2 4.02Å; F180-W296 AromaticContact CE2-CZ3 3.84Å; F180-W296 HydrophobicContact CE2-CZ3 3.84Å; F180-W296 AromaticContact CZ-CH2 3.74Å; F180-W296 HydrophobicContact CZ-CH2 3.74Å; F180-W296 AromaticContact CZ-CZ3 4Å; F180-W296 HydrophobicContact CZ-CZ3 4Å; F180-A303 HydrophobicContact CB-CB 4Å; F180-T600 HydrophobicContact CD1-CG2 4.49Å; F180-T600 HydrophobicContact CE1-CG2 4.05Å; F180-T600 HydrophobicContact CZ-CG2 4.39Å
181	V	89.3	Confident	86.1	Confident	0 Å²	0	22.3 Å²	22.3	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-55.6	-42.2	-178.9	161.7	0	0	0	0	112.5	V177 G183 F184 V185 R258 F332 V333 C336	V177-V181 HydrophobicContact CG1-CG2 3.76Å; V177-V181 WeakPolarHBondContact O-CB 3.45Å; V177-V181 WeakPolarHBondContact O-CG2 3.38Å; V177-V181 PolarHBondContact O-N 3.43Å; V181-G183 VanDerWaalsContact C-N 3.3Å; V181-G183 PolarHBondContact O-N 3.28Å; V181-F184 PolarHBondContact O-N 2.87Å; V181-F184 VanDerWaalsContact O-N 3.13Å; V181-V185 HydrophobicContact CG1-CG2 3.88Å; V181-V185 WeakPolarHBondContact O-CG2 3.29Å; V181-V185 PolarHBondContact O-N 3.43Å; V181-R258 VanDerWaalsContact CG1-NH1 3.31Å; V181-F332 HydrophobicContact CB-CE1 4.3Å; V181-F332 HydrophobicContact CG1-CE1 4Å; V181-F332 HydrophobicContact CG2-CE1 4.06Å; V181-F332 HydrophobicContact CG2-CZ 3.92Å; V181-V333 HydrophobicContact CG1-CG2 4.19Å; V181-C336 HydrophobicContact CG2-CB 3.47Å; V181-C336 VanDerWaalsContact CG2-CB 3.47Å; V181-C336 WeakPolarHBondContact CG2-SG 3.45Å
182	V	84.7	Confident	85	Confident	13 Å²	13	24 Å²	24	8%	0.079	14%	0.136	C	C	.	.	H	α-helix	trans	-60.8	-41.9	-177.4	179.9	0	0	0	0	111.3	F180 F184 V185 L186 L203 V207	F180-V182 VanDerWaalsContact C-N 3.29Å; F180-V182 PolarHBondContact O-N 3.43Å; V182-F184 VanDerWaalsContact C-N 3.26Å; V182-F184 PolarHBondContact O-N 3.2Å; V182-V185 PolarHBondContact O-N 3.36Å; V182-L186 WeakPolarHBondContact O-CB 3.16Å; V182-L186 PolarHBondContact O-N 2.89Å; V182-L203 HydrophobicContact CG1-CG 4.33Å; V182-V207 HydrophobicContact CG2-CB 4.46Å; V182-V207 HydrophobicContact CG2-CG2 3.71Å
183	G	80.4	Confident	84.1	Confident	53 Å²	53	25.7 Å²	25.7	55%	0.546	15%	0.145	S	C	.	.	H	α-helix	trans	-61.4	-34	178	0	0	0	0	0	113.1	F180 V181	F180-G183 PolarHBondContact O-N 3.2Å; V181-G183 VanDerWaalsContact C-N 3.3Å; V181-G183 PolarHBondContact O-N 3.28Å
184	F	83.1	Confident	83	Confident	12 Å²	12	28.1 Å²	28.1	5%	0.053	16%	0.163	C	C	.	.	H	α-helix	trans	-84.4	-30.2	178.8	-64	-53.3	0	0	0	114	F180 V181 V182 P187 A303 S304 A307 I311 F332 Y593	F180-F184 HydrophobicContact CB-CE2 4.12Å; F180-F184 WeakPolarHBondContact O-CD2 3.47Å; F180-F184 PolarHBondContact O-N 2.88Å; V181-F184 PolarHBondContact O-N 2.87Å; V181-F184 VanDerWaalsContact O-N 3.13Å; V182-F184 VanDerWaalsContact C-N 3.26Å; V182-F184 PolarHBondContact O-N 3.2Å; F184-P187 WeakPolarHBondContact O-CD 3.08Å; F184-A303 HydrophobicContact CD2-CB 4.38Å; F184-A303 HydrophobicContact CE2-CB 4.25Å; F184-S304 VanDerWaalsContact CZ-CB 3.48Å; F184-A307 HydrophobicContact CB-CB 3.85Å; F184-A307 HydrophobicContact CD1-CB 4.12Å; F184-A307 HydrophobicContact CD2-CB 4.12Å; F184-A307 HydrophobicContact CG-CB 3.76Å; F184-I311 HydrophobicContact CB-CD1 4.48Å; F184-F332 HydrophobicContact CB-CE1 3.85Å; F184-F332 HydrophobicContact CB-CZ 4.03Å; F184-F332 HydrophobicContact CD2-CZ 4.2Å; F184-Y593 HydrophobicContact CB-CE1 4.21Å; F184-Y593 AromaticContact CD1-CD1 3.54Å; F184-Y593 HydrophobicContact CD1-CD1 3.54Å; F184-Y593 AromaticContact CD1-CE1 3.82Å; F184-Y593 HydrophobicContact CD1-CE1 3.82Å; F184-Y593 HydrophobicContact CE1-CD1 4.13Å; F184-Y593 HydrophobicContact CG-CD1 4.44Å; F184-Y593 HydrophobicContact CG-CE1 4.48Å; F184-Y593 PolarHBondContact O-OH 3.4Å
185	V	84.3	Confident	81.8	Confident	3 Å²	3	28.7 Å²	28.7	2%	0.018	17%	0.166	C	C	.	.	H	α-helix	trans	-75.6	-32.6	177.5	169.4	0	0	0	0	111.6	V181 V182 S188 A189 F254 W329 F332 V333	V181-V185 HydrophobicContact CG1-CG2 3.88Å; V181-V185 WeakPolarHBondContact O-CG2 3.29Å; V181-V185 PolarHBondContact O-N 3.43Å; V182-V185 PolarHBondContact O-N 3.36Å; V185-S188 PolarHBondContact O-N 3.23Å; V185-S188 VanDerWaalsContact O-N 3.14Å; V185-A189 HydrophobicContact CG1-CB 3.85Å; V185-A189 WeakPolarHBondContact O-CB 3.37Å; V185-A189 PolarHBondContact O-N 3.23Å; V185-F254 HydrophobicContact CG1-CZ 4.28Å; V185-W329 HydrophobicContact CB-CE3 4.47Å; V185-W329 HydrophobicContact CG1-CD2 4.25Å; V185-W329 HydrophobicContact CG1-CE3 3.42Å; V185-W329 VanDerWaalsContact CG1-CE3 3.42Å; V185-W329 HydrophobicContact CG1-CZ3 3.62Å; V185-W329 HydrophobicContact CG2-CE3 4.3Å; V185-F332 HydrophobicContact CG2-CD1 3.76Å; V185-F332 HydrophobicContact CG2-CE1 3.85Å; V185-V333 HydrophobicContact CG2-CG2 3.54Å
186	L	79.5	Confident	80.9	Confident	50 Å²	50	31.4 Å²	31.4	26%	0.262	18%	0.184	S	C	.	.	H	α-helix	trans	-50.2	-49.3	-171.3	-169.2	75.1	0	0	0	114.3	V182 S188 A189 E190 K200 L203	V182-L186 WeakPolarHBondContact O-CB 3.16Å; V182-L186 PolarHBondContact O-N 2.89Å; L186-S188 VanDerWaalsContact C-N 3.33Å; L186-S188 PolarHBondContact O-N 3.07Å; L186-A189 PolarHBondContact O-N 2.82Å; L186-E190 WeakPolarHBondContact O-CB 3.14Å; L186-E190 PolarHBondContact O-N 3.31Å; L186-K200 HydrophobicContact CD1-CB 4.15Å; L186-L203 HydrophobicContact CD1-CB 4.38Å; L186-L203 HydrophobicContact CD1-CD2 3.98Å; L186-L203 HydrophobicContact CD1-CG 4.49Å
187	P	76.2	Confident	80	Confident	53 Å²	53	37.5 Å²	37.5	34%	0.344	21%	0.213	S	C	.	.	H	α-helix	trans	-67.3	-33.4	-176.9	-19.1	33.8	0	0	0	113.2	F184	F184-P187 WeakPolarHBondContact O-CD 3.08Å
188	S	77.3	Confident	79.2	Confident	26 Å²	26	42.1 Å²	42.1	18%	0.182	24%	0.243	C	C	.	.	H	α-helix	trans	-78.6	-40.8	177.9	-65.5	0	0	0	0	111.8	V185 L186 E190 K191 D192 I311	V185-S188 PolarHBondContact O-N 3.23Å; V185-S188 VanDerWaalsContact O-N 3.14Å; L186-S188 VanDerWaalsContact C-N 3.33Å; L186-S188 PolarHBondContact O-N 3.07Å; S188-E190 VanDerWaalsContact C-N 3.32Å; S188-E190 PolarHBondContact O-N 3.28Å; S188-K191 PolarHBondContact O-N 2.61Å; S188-D192 WeakPolarHBondContact O-CB 3.49Å; S188-D192 PolarHBondContact O-N 3.1Å; S188-I311 WeakPolarHBondContact OG-CG2 3.4Å
189	A	78.7	Confident	78.7	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-66.3	-33.9	176.8	0	0	0	0	0	112.3	V185 L186 K191 D192 M193 W329	V185-A189 HydrophobicContact CG1-CB 3.85Å; V185-A189 WeakPolarHBondContact O-CB 3.37Å; V185-A189 PolarHBondContact O-N 3.23Å; L186-A189 PolarHBondContact O-N 2.82Å; A189-K191 VanDerWaalsContact C-N 3.35Å; A189-K191 PolarHBondContact O-N 3.43Å; A189-D192 PolarHBondContact O-N 2.99Å; A189-M193 WeakPolarHBondContact O-CB 3.27Å; A189-M193 PolarHBondContact O-N 3.32Å; A189-W329 HydrophobicContact CB-CZ2 4.46Å
190	E	74.8	Confident	78.2	Confident	62 Å²	62	44.6 Å²	44.6	29%	0.29	26%	0.256	S	S	.	.	H	α-helix	trans	-55.5	-49.4	171.3	166.5	177.9	173.5	0	0	111.8	L186 S188 C194 L195 K200	L186-E190 WeakPolarHBondContact O-CB 3.14Å; L186-E190 PolarHBondContact O-N 3.31Å; S188-E190 VanDerWaalsContact C-N 3.32Å; S188-E190 PolarHBondContact O-N 3.28Å; E190-C194 WeakPolarHBondContact O-CA 3.46Å; E190-C194 PolarHBondContact O-N 3.08Å; E190-C194 VanDerWaalsContact O-N 3.09Å; E190-L195 PolarHBondContact O-N 2.87Å; E190-K200 HydrophobicContact CG-CD 4.37Å; E190-K200 WeakPolarHBondContact OE1-CE 3.43Å; E190-K200 IonicContact OE1-NZ 2.82Å; E190-K200 PolarHBondContact OE1-NZ 3.16Å; E190-K200 WeakPolarHBondContact OE2-CD 3.39Å; E190-K200 VanDerWaalsContact OE2-CE 3.22Å; E190-K200 WeakPolarHBondContact OE2-CE 3.28Å; E190-K200 IonicContact OE2-NZ 2.82Å; E190-K200 PolarHBondContact OE2-NZ 2.98Å
191	K	71.9	Confident	77.9	Confident	94 Å²	94	44 Å²	44	41%	0.409	26%	0.264	S	S	.	.	H	α-helix	trans	-70.8	-37.6	-176.6	-67.2	-178.3	178.6	-173.8	0	111.9	S188 A189 L579 D585	S188-K191 PolarHBondContact O-N 2.61Å; A189-K191 VanDerWaalsContact C-N 3.35Å; A189-K191 PolarHBondContact O-N 3.43Å; K191-L579 HydrophobicContact CB-CD2 4.09Å; K191-D585 IonicContact NZ-OD2 2.84Å; K191-D585 PolarHBondContact NZ-OD2 3.47Å
192	D	73.7	Confident	77.7	Confident	37 Å²	37	47.7 Å²	47.7	20%	0.198	28%	0.282	C	S	.	.	H	α-helix	trans	-73.1	-44.9	-178.9	-170.8	21.3	0	0	0	112.4	S188 A189 H327 W329	S188-D192 WeakPolarHBondContact O-CB 3.49Å; S188-D192 PolarHBondContact O-N 3.1Å; A189-D192 PolarHBondContact O-N 2.99Å; D192-H327 IonicContact OD1-CD2 3.91Å; D192-H327 PolarHBondContact OD1-CD2 3.3Å; D192-H327 IonicContact OD1-NE2 2.87Å; D192-H327 PolarHBondContact OD1-NE2 3.21Å; D192-H327 IonicContact OD2-CD2 3.22Å; D192-H327 PolarHBondContact OD2-CD2 2.82Å; D192-H327 VanDerWaalsContact OD2-CD2 3.28Å; D192-W329 WeakPolarHBondContact OD2-CZ2 3.49Å; D192-W329 PolarHBondContact OD2-NE1 3.49Å
193	M	74.4	Confident	77.7	Confident	37 Å²	37	47.2 Å²	47.2	18%	0.182	28%	0.279	C	S	.	.	H	α-helix	trans	-100.3	6.1	-174	-60.7	-177.8	176.6	0	0	114.5	A189 L195 Y251 W329	A189-M193 WeakPolarHBondContact O-CB 3.27Å; A189-M193 PolarHBondContact O-N 3.32Å; M193-L195 HydrophobicContact CB-CD2 3.77Å; M193-L195 HydrophobicContact CB-CG 3.93Å; M193-L195 PolarHBondContact O-N 2.86Å; M193-Y251 HydrophobicContact SD-CD2 4.14Å; M193-W329 HydrophobicContact CE-CH2 3.9Å; M193-W329 HydrophobicContact CE-CZ2 4.01Å
194	C	72.2	Confident	77.8	Confident	74 Å²	74	46 Å²	46	50%	0.5	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.6	49	-176.4	-44.4	0	0	0	0	113.3	E190 C578	E190-C194 WeakPolarHBondContact O-CA 3.46Å; E190-C194 PolarHBondContact O-N 3.08Å; E190-C194 VanDerWaalsContact O-N 3.09Å; C194-C578 HydrophobicContact CB-CB 4.47Å; C194-C578 WeakPolarHBondContact CB-SG 3.25Å; C194-C578 WeakPolarHBondContact SG-CB 3.48Å; C194-C578 CovalentContact SG-SG 2.02Å; C194-C578 PolarHBondContact SG-SG 3.04Å
195	L	70.7	Confident	78.1	Confident	15 Å²	15	47.2 Å²	47.2	8%	0.079	27%	0.273	C	S	.	.			trans	-73	132.8	-172.1	-59.6	177.6	0	0	0	112.4	E190 M193 N199 K200 Y251	E190-L195 PolarHBondContact O-N 2.87Å; M193-L195 HydrophobicContact CB-CD2 3.77Å; M193-L195 HydrophobicContact CB-CG 3.93Å; M193-L195 PolarHBondContact O-N 2.86Å; L195-N199 HydrophobicContact CB-CB 4.45Å; L195-N199 HydrophobicContact CD2-CB 4.41Å; L195-K200 HydrophobicContact CB-CG 4.02Å; L195-K200 WeakPolarHBondContact O-CE 3.18Å; L195-Y251 HydrophobicContact CD1-CD2 4.2Å; L195-Y251 HydrophobicContact CD1-CE2 4Å; L195-Y251 HydrophobicContact CD2-CD2 3.34Å; L195-Y251 HydrophobicContact CD2-CE2 3.59Å; L195-Y251 HydrophobicContact CD2-CG 3.88Å; L195-Y251 HydrophobicContact CG-CD2 4.43Å; L195-Y251 HydrophobicContact CG-CE2 4.45Å
196	S	73.9	Confident	78.5	Confident	57 Å²	57	48 Å²	48	40%	0.399	28%	0.277	S	S	.	.			trans	-70.3	156.1	167.7	63.1	0	0	0	0	111.5	P198 N199 K200	S196-P198 VanDerWaalsContact C-CD 3.49Å; S196-N199 WeakPolarHBondContact O-CB 3.26Å; S196-N199 PolarHBondContact O-N 3.03Å; S196-N199 VanDerWaalsContact OG-CG 3.25Å; S196-N199 PolarHBondContact OG-ND2 3.36Å; S196-K200 WeakPolarHBondContact O-CG 3.49Å; S196-K200 PolarHBondContact O-N 2.71Å; S196-K200 VanDerWaalsContact O-N 3.07Å
197	E	72.6	Confident	79	Confident	129 Å²	129	45.8 Å²	45.8	60%	0.603	27%	0.265	S	S	*	.	H	α-helix	trans	-51.1	-44	179.7	-63.9	-62.4	150.4	0	0	114.2	N199 K200 G201	E197-N199 VanDerWaalsContact C-N 3.33Å; E197-N199 PolarHBondContact O-N 3.26Å; E197-K200 WeakPolarHBondContact O-CB 3.41Å; E197-K200 PolarHBondContact O-N 3.4Å; E197-K200 IonicContact OE1-NZ 3.79Å; E197-K200 PolarHBondContact OE1-NZ 3.19Å; E197-K200 IonicContact OE2-NZ 3.9Å; E197-G201 PolarHBondContact O-N 3.4Å
198	P	76.4	Confident	79.7	Confident	97 Å²	97	44.7 Å²	44.7	63%	0.63	26%	0.255	S	S	*	.	H	α-helix	trans	-63.5	-36.9	176.5	-22	34.4	0	0	0	113.3	S196 K200 G201 M202	S196-P198 VanDerWaalsContact C-CD 3.49Å; P198-K200 VanDerWaalsContact C-N 3.32Å; P198-K200 PolarHBondContact O-N 3.42Å; P198-G201 PolarHBondContact O-N 2.92Å; P198-M202 PolarHBondContact O-N 3.17Å
199	N	81.3	Confident	80.5	Confident	60 Å²	60	46.4 Å²	46.4	32%	0.321	26%	0.262	S	S	.	.	H	α-helix	trans	-70.2	-30.4	179.2	-70	-7.1	0	0	0	111.6	L195 S196 E197 L203 Y251	L195-N199 HydrophobicContact CB-CB 4.45Å; L195-N199 HydrophobicContact CD2-CB 4.41Å; S196-N199 WeakPolarHBondContact O-CB 3.26Å; S196-N199 PolarHBondContact O-N 3.03Å; S196-N199 VanDerWaalsContact OG-CG 3.25Å; S196-N199 PolarHBondContact OG-ND2 3.36Å; E197-N199 VanDerWaalsContact C-N 3.33Å; E197-N199 PolarHBondContact O-N 3.26Å; N199-L203 PolarHBondContact O-N 2.81Å; N199-Y251 WeakPolarHBondContact CA-OH 3.37Å; N199-Y251 HydrophobicContact CB-CE1 4.19Å; N199-Y251 HydrophobicContact CB-CE2 4.48Å; N199-Y251 PolarHBondContact O-OH 3.44Å
200	K	78.1	Confident	81.3	Confident	14 Å²	14	46.4 Å²	46.4	6%	0.061	26%	0.262	C	S	.	.	H	α-helix	trans	-64.7	-48.1	171.9	-61.4	174.6	-160.4	-178.2	0	111.1	L186 E190 L195 S196 E197 P198 M202 L203 G204	L186-K200 HydrophobicContact CD1-CB 4.15Å; E190-K200 HydrophobicContact CG-CD 4.37Å; E190-K200 WeakPolarHBondContact OE1-CE 3.43Å; E190-K200 IonicContact OE1-NZ 2.82Å; E190-K200 PolarHBondContact OE1-NZ 3.16Å; E190-K200 WeakPolarHBondContact OE2-CD 3.39Å; E190-K200 VanDerWaalsContact OE2-CE 3.22Å; E190-K200 WeakPolarHBondContact OE2-CE 3.28Å; E190-K200 IonicContact OE2-NZ 2.82Å; E190-K200 PolarHBondContact OE2-NZ 2.98Å; L195-K200 HydrophobicContact CB-CG 4.02Å; L195-K200 WeakPolarHBondContact O-CE 3.18Å; S196-K200 WeakPolarHBondContact O-CG 3.49Å; S196-K200 PolarHBondContact O-N 2.71Å; S196-K200 VanDerWaalsContact O-N 3.07Å; E197-K200 WeakPolarHBondContact O-CB 3.41Å; E197-K200 PolarHBondContact O-N 3.4Å; E197-K200 IonicContact OE1-NZ 3.79Å; E197-K200 PolarHBondContact OE1-NZ 3.19Å; E197-K200 IonicContact OE2-NZ 3.9Å; P198-K200 VanDerWaalsContact C-N 3.32Å; P198-K200 PolarHBondContact O-N 3.42Å; K200-M202 VanDerWaalsContact C-N 3.34Å; K200-M202 PolarHBondContact O-N 3.2Å; K200-L203 PolarHBondContact O-N 2.87Å; K200-G204 PolarHBondContact O-N 3.02Å
201	G	81.4	Confident	82.2	Confident	38 Å²	38	43.5 Å²	43.5	39%	0.392	25%	0.248	S	C	.	.	H	α-helix	trans	-59	-43.8	178.1	0	0	0	0	0	112.5	E197 P198 L203 G204 L205	E197-G201 PolarHBondContact O-N 3.4Å; P198-G201 PolarHBondContact O-N 2.92Å; G201-L203 VanDerWaalsContact C-N 3.32Å; G201-L203 PolarHBondContact O-N 3.15Å; G201-G204 PolarHBondContact O-N 2.65Å; G201-L205 WeakPolarHBondContact O-CG 3.27Å; G201-L205 PolarHBondContact O-N 2.96Å; G201-L205 VanDerWaalsContact O-N 3.11Å
202	M	86.4	Confident	83.3	Confident	78 Å²	78	41.3 Å²	41.3	38%	0.384	24%	0.24	S	C	.	.	H	α-helix	trans	-61.2	-38.6	178.1	-171.7	170.9	64.6	0	0	112.7	P198 K200 G204 L205 I206 Y251 L255	P198-M202 PolarHBondContact O-N 3.17Å; K200-M202 VanDerWaalsContact C-N 3.34Å; K200-M202 PolarHBondContact O-N 3.2Å; M202-G204 VanDerWaalsContact C-N 3.32Å; M202-G204 PolarHBondContact O-N 2.69Å; M202-L205 PolarHBondContact O-N 3.44Å; M202-I206 WeakPolarHBondContact O-CB 3.39Å; M202-I206 PolarHBondContact O-N 3.08Å; M202-Y251 HydrophobicContact CE-CE1 3.79Å; M202-Y251 VanDerWaalsContact CE-OH 3.27Å; M202-Y251 WeakPolarHBondContact CE-OH 3.25Å; M202-L255 HydrophobicContact CE-CD1 4.38Å; M202-L255 HydrophobicContact CE-CD2 3.45Å; M202-L255 VanDerWaalsContact CE-CD2 3.45Å; M202-L255 HydrophobicContact CG-CD1 4.34Å; M202-L255 HydrophobicContact CG-CD2 4.31Å; M202-L255 HydrophobicContact SD-CD2 3.99Å
203	L	85.2	Confident	84.4	Confident	3 Å²	3	43 Å²	43	2%	0.016	25%	0.251	C	S	.	.	H	α-helix	trans	-64.3	-37.2	177.2	-178.5	62.5	0	0	0	112.1	V182 L186 N199 K200 G201 F254 L255	V182-L203 HydrophobicContact CG1-CG 4.33Å; L186-L203 HydrophobicContact CD1-CB 4.38Å; L186-L203 HydrophobicContact CD1-CD2 3.98Å; L186-L203 HydrophobicContact CD1-CG 4.49Å; N199-L203 PolarHBondContact O-N 2.81Å; K200-L203 PolarHBondContact O-N 2.87Å; G201-L203 VanDerWaalsContact C-N 3.32Å; G201-L203 PolarHBondContact O-N 3.15Å; L203-F254 HydrophobicContact CD1-CD1 3.9Å; L203-F254 HydrophobicContact CD1-CE1 3.57Å; L203-F254 HydrophobicContact CD2-CE1 3.96Å; L203-F254 HydrophobicContact CG-CE1 4.41Å; L203-L255 HydrophobicContact CD1-CD1 4.08Å
204	G	82.1	Confident	85.3	Confident	26 Å²	26	41.2 Å²	41.2	27%	0.268	24%	0.242	S	C	.	.	H	α-helix	trans	-66.5	-36.5	174.2	0	0	0	0	0	113.6	K200 G201 M202 Y208	K200-G204 PolarHBondContact O-N 3.02Å; G201-G204 PolarHBondContact O-N 2.65Å; M202-G204 VanDerWaalsContact C-N 3.32Å; M202-G204 PolarHBondContact O-N 2.69Å; G204-Y208 WeakPolarHBondContact O-CD2 3.33Å
205	L	88.9	Confident	86.4	Confident	38 Å²	38	37.7 Å²	37.7	20%	0.199	22%	0.219	C	C	.	.	H	α-helix	trans	-87.8	-27.6	-174.3	-66.3	174.1	0	0	0	114.1	G201 M202 V207 Y208 L209 V693 I696	G201-L205 WeakPolarHBondContact O-CG 3.27Å; G201-L205 PolarHBondContact O-N 2.96Å; G201-L205 VanDerWaalsContact O-N 3.11Å; M202-L205 PolarHBondContact O-N 3.44Å; L205-V207 VanDerWaalsContact C-N 3.27Å; L205-V207 PolarHBondContact O-N 3.16Å; L205-Y208 PolarHBondContact O-N 3.42Å; L205-L209 PolarHBondContact O-N 2.99Å; L205-L209 VanDerWaalsContact O-N 3.08Å; L205-V693 HydrophobicContact CD2-CG1 4.33Å; L205-V693 HydrophobicContact CD2-CG2 4.49Å; L205-I696 HydrophobicContact CD2-CB 4.08Å; L205-I696 HydrophobicContact CD2-CD1 4.23Å; L205-I696 HydrophobicContact CD2-CG2 3.83Å
206	I	92	Very high	87.5	Confident	20 Å²	20	39.8 Å²	39.8	10%	0.103	23%	0.227	C	C	.	.	H	α-helix	trans	-61.2	-35.6	-172.7	-161.6	72.9	0	0	0	112.9	M202 L209 G210 L255 R258 L259	M202-I206 WeakPolarHBondContact O-CB 3.39Å; M202-I206 PolarHBondContact O-N 3.08Å; I206-L209 PolarHBondContact O-N 3.44Å; I206-G210 PolarHBondContact O-N 3.19Å; I206-L255 HydrophobicContact CB-CD1 3.87Å; I206-L255 HydrophobicContact CB-CG 4.33Å; I206-L255 HydrophobicContact CD1-CD2 4.4Å; I206-L255 HydrophobicContact CD1-CG 4.36Å; I206-L255 HydrophobicContact CG1-CD1 4.11Å; I206-L255 HydrophobicContact CG1-CG 3.98Å; I206-L255 HydrophobicContact CG2-CD1 3.64Å; I206-L255 HydrophobicContact CG2-CG 4.28Å; I206-R258 HydrophobicContact CG2-CB 4.13Å; I206-L259 HydrophobicContact CD1-CB 4.41Å; I206-L259 HydrophobicContact CD1-CD1 3.92Å; I206-L259 HydrophobicContact CG1-CB 3.79Å; I206-L259 HydrophobicContact CG1-CD1 3.84Å; I206-L259 HydrophobicContact CG1-CG 4.31Å
207	V	90.9	Very high	88.4	Confident	3 Å²	3	39.7 Å²	39.7	2%	0.018	22%	0.224	C	C	.	.	H	α-helix	trans	-68.3	-42.1	179.9	176.9	0	0	0	0	110.1	V182 L205 L209 G210 M211 R258	V182-V207 HydrophobicContact CG2-CB 4.46Å; V182-V207 HydrophobicContact CG2-CG2 3.71Å; L205-V207 VanDerWaalsContact C-N 3.27Å; L205-V207 PolarHBondContact O-N 3.16Å; V207-L209 VanDerWaalsContact C-N 3.32Å; V207-L209 PolarHBondContact O-N 2.98Å; V207-G210 PolarHBondContact O-N 3.45Å; V207-G210 VanDerWaalsContact O-N 3.16Å; V207-M211 HydrophobicContact CG1-CG 4.37Å; V207-M211 HydrophobicContact CG1-SD 4.39Å; V207-M211 VanDerWaalsContact O-CG 3.28Å; V207-M211 WeakPolarHBondContact O-CG 3.46Å; V207-M211 PolarHBondContact O-N 3.23Å; V207-R258 HydrophobicContact CG2-CB 4.03Å
208	Y	91.7	Very high	89.4	Confident	30 Å²	30	34.7 Å²	34.7	12%	0.118	20%	0.2	C	C	.	.	H	α-helix	trans	-62.3	-38.2	174.4	-71.5	-79.4	0	0	0	112.4	G204 L205 M211 M212 Y457 K689 A692 I696	G204-Y208 WeakPolarHBondContact O-CD2 3.33Å; L205-Y208 PolarHBondContact O-N 3.42Å; Y208-M211 PolarHBondContact O-N 3.14Å; Y208-M212 WeakPolarHBondContact O-CB 3.44Å; Y208-M212 PolarHBondContact O-N 3.34Å; Y208-Y457 HydrophobicContact CE1-CD1 4.2Å; Y208-Y457 HydrophobicContact CE1-CE1 4.16Å; Y208-K689 HydrophobicContact CD1-CD 4.13Å; Y208-A692 HydrophobicContact CD1-CB 4.26Å; Y208-A692 HydrophobicContact CE1-CB 4.46Å; Y208-I696 HydrophobicContact CD2-CD1 4.41Å; Y208-I696 HydrophobicContact CE2-CD1 4.14Å
209	L	93.6	Very high	90.2	Very high	63 Å²	63	30.1 Å²	30.1	33%	0.33	17%	0.17	S	C	.	.	H	α-helix	trans	-64.3	-42.1	173	-71.1	173.7	0	0	0	111.9	L205 I206 V207 M212 V213 V693	L205-L209 PolarHBondContact O-N 2.99Å; L205-L209 VanDerWaalsContact O-N 3.08Å; I206-L209 PolarHBondContact O-N 3.44Å; V207-L209 VanDerWaalsContact C-N 3.32Å; V207-L209 PolarHBondContact O-N 2.98Å; L209-M212 HydrophobicContact CD2-CE 4.14Å; L209-M212 WeakPolarHBondContact O-CB 3.21Å; L209-M212 PolarHBondContact O-N 3.43Å; L209-V213 PolarHBondContact O-N 2.69Å; L209-V693 HydrophobicContact CD2-CG1 4.41Å; L209-V693 HydrophobicContact CD2-CG2 4.2Å; L209-V693 HydrophobicContact CG-CG2 4.33Å
210	G	94.9	Very high	90.6	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-60.1	-48	173.1	0	0	0	0	0	111.6	I206 V207 M212 V213 G214 G262 V263	I206-G210 PolarHBondContact O-N 3.19Å; V207-G210 PolarHBondContact O-N 3.45Å; V207-G210 VanDerWaalsContact O-N 3.16Å; G210-M212 VanDerWaalsContact C-N 3.3Å; G210-M212 PolarHBondContact O-N 3.07Å; G210-V213 PolarHBondContact O-N 3.4Å; G210-G214 PolarHBondContact O-N 3.23Å; G210-G262 VanDerWaalsContact C-C 3.41Å; G210-G262 CarbonylContact C-O 3.48Å; G210-V263 VanDerWaalsContact O-CA 3.29Å; G210-V263 WeakPolarHBondContact O-CA 3.41Å; G210-V263 WeakPolarHBondContact O-CG2 3.48Å
211	M	94.7	Very high	91.2	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-61.1	-36.7	178.1	-69.1	-179.7	86.8	0	0	112.6	D175 I179 V207 Y208 G214 A215 G262 I265 K689	D175-M211 WeakPolarHBondContact OD1-CE 3.44Å; I179-M211 HydrophobicContact CD1-CE 3.67Å; I179-M211 HydrophobicContact CD1-SD 4.13Å; I179-M211 HydrophobicContact CG1-CE 3.95Å; I179-M211 HydrophobicContact CG1-SD 3.85Å; V207-M211 HydrophobicContact CG1-CG 4.37Å; V207-M211 HydrophobicContact CG1-SD 4.39Å; V207-M211 VanDerWaalsContact O-CG 3.28Å; V207-M211 WeakPolarHBondContact O-CG 3.46Å; V207-M211 PolarHBondContact O-N 3.23Å; Y208-M211 PolarHBondContact O-N 3.14Å; M211-G214 PolarHBondContact O-N 3.05Å; M211-A215 WeakPolarHBondContact O-CB 3.33Å; M211-A215 PolarHBondContact O-N 3.04Å; M211-G262 VanDerWaalsContact CA-O 3.28Å; M211-G262 WeakPolarHBondContact CA-O 3.49Å; M211-G262 PolarHBondContact N-O 3.29Å; M211-I265 HydrophobicContact CE-CG2 4.27Å; M211-I265 HydrophobicContact CG-CG2 3.95Å; M211-K689 HydrophobicContact CB-CD 4.29Å; M211-K689 HydrophobicContact CB-CG 3.97Å; M211-K689 HydrophobicContact CE-CD 4.48Å; M211-K689 HydrophobicContact SD-CD 4.36Å
212	M	94.9	Very high	91.7	Very high	48 Å²	48	26.7 Å²	26.7	24%	0.236	14%	0.144	C	C	.	.	H	α-helix	trans	-59.1	-50.8	175	177.2	-175.2	71.4	0	0	111.2	Y208 L209 G210 F216 A686 K689 L690	Y208-M212 WeakPolarHBondContact O-CB 3.44Å; Y208-M212 PolarHBondContact O-N 3.34Å; L209-M212 HydrophobicContact CD2-CE 4.14Å; L209-M212 WeakPolarHBondContact O-CB 3.21Å; L209-M212 PolarHBondContact O-N 3.43Å; G210-M212 VanDerWaalsContact C-N 3.3Å; G210-M212 PolarHBondContact O-N 3.07Å; M212-F216 PolarHBondContact O-N 2.84Å; M212-A686 HydrophobicContact CG-CB 4.25Å; M212-A686 WeakPolarHBondContact CG-O 3.13Å; M212-A686 VanDerWaalsContact O-CB 3.31Å; M212-A686 WeakPolarHBondContact O-CB 3.34Å; M212-K689 HydrophobicContact CB-CB 3.89Å; M212-L690 HydrophobicContact SD-CB 3.83Å; M212-L690 HydrophobicContact SD-CD1 3.93Å; M212-L690 HydrophobicContact SD-CG 4.4Å
213	V	95.1	Very high	91.8	Very high	72 Å²	72	23.5 Å²	23.5	44%	0.436	13%	0.128	S	C	.	.	H	α-helix	trans	-65.5	-43.9	178.8	177.4	0	0	0	0	110.4	L209 G210 F216 V217 V263	L209-V213 PolarHBondContact O-N 2.69Å; G210-V213 PolarHBondContact O-N 3.4Å; V213-F216 PolarHBondContact O-N 3.44Å; V213-V217 HydrophobicContact CG1-CG2 4.35Å; V213-V217 WeakPolarHBondContact O-CG2 3.41Å; V213-V217 PolarHBondContact O-N 3.23Å; V213-V263 HydrophobicContact CB-CG2 4.38Å
214	G	95.1	Very high	91.8	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-59.8	-46.1	177.8	0	0	0	0	0	113.3	G210 M211 F216 V217 W218 V263	G210-G214 PolarHBondContact O-N 3.23Å; M211-G214 PolarHBondContact O-N 3.05Å; G214-F216 VanDerWaalsContact C-N 3.31Å; G214-F216 PolarHBondContact O-N 3.35Å; G214-V217 PolarHBondContact O-N 2.88Å; G214-W218 VanDerWaalsContact O-CB 3.32Å; G214-W218 WeakPolarHBondContact O-CB 3.45Å; G214-W218 PolarHBondContact O-N 3.08Å; G214-V263 WeakPolarHBondContact CA-O 3.49Å
215	A	94.6	Very high	92.1	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-59.7	-41.8	-179.7	0	0	0	0	0	112.1	M211 G219 G266 G682 N685 A686	M211-A215 WeakPolarHBondContact O-CB 3.33Å; M211-A215 PolarHBondContact O-N 3.04Å; A215-G219 WeakPolarHBondContact O-CA 3.21Å; A215-G219 PolarHBondContact O-N 3.36Å; A215-G266 VanDerWaalsContact CA-O 3.28Å; A215-G266 WeakPolarHBondContact CA-O 3.43Å; A215-G266 VanDerWaalsContact CB-O 3.27Å; A215-G266 WeakPolarHBondContact CB-O 3.29Å; A215-G682 CarbonylContact C-O 3.24Å; A215-G682 WeakPolarHBondContact CB-O 3.41Å; A215-G682 CarbonylContact O-C 3.57Å; A215-G682 VanDerWaalsContact O-CA 3.25Å; A215-G682 WeakPolarHBondContact O-CA 3.48Å; A215-N685 HydrophobicContact CB-CB 4.18Å; A215-A686 HydrophobicContact CB-CB 4.1Å
216	F	93.3	Very high	92.2	Very high	60 Å²	60	27.6 Å²	27.6	26%	0.263	14%	0.136	S	C	.	.	H	α-helix	trans	-67.5	-48.5	177.2	-174.1	-99.7	0	0	0	112	M212 V213 G214 G220 W427 F430 F683 A686	M212-F216 PolarHBondContact O-N 2.84Å; V213-F216 PolarHBondContact O-N 3.44Å; G214-F216 VanDerWaalsContact C-N 3.31Å; G214-F216 PolarHBondContact O-N 3.35Å; F216-G220 PolarHBondContact O-N 3.39Å; F216-W427 HydrophobicContact CZ-CE3 4.42Å; F216-W427 HydrophobicContact CZ-CZ3 4.22Å; F216-F430 AromaticContact CE2-CD2 3.86Å; F216-F430 HydrophobicContact CE2-CD2 3.86Å; F216-F430 AromaticContact CE2-CE2 3.98Å; F216-F430 HydrophobicContact CE2-CE2 3.98Å; F216-F430 HydrophobicContact CE2-CG 4.25Å; F216-F430 HydrophobicContact CE2-CZ 4.46Å; F216-F430 HydrophobicContact CZ-CD2 4.45Å; F216-F430 HydrophobicContact CZ-CG 4.39Å; F216-F683 HydrophobicContact CD2-CD2 4.08Å; F216-F683 HydrophobicContact CE2-CD2 4.13Å; F216-A686 HydrophobicContact CB-CB 4.14Å
217	V	93.1	Very high	92.2	Very high	55 Å²	55	26.6 Å²	26.6	33%	0.333	13%	0.131	S	C	.	.	H	α-helix	trans	-66.8	-58.2	-177.2	173.5	0	0	0	0	111	V213 G214 G219 G220 L221	V213-V217 HydrophobicContact CG1-CG2 4.35Å; V213-V217 WeakPolarHBondContact O-CG2 3.41Å; V213-V217 PolarHBondContact O-N 3.23Å; G214-V217 PolarHBondContact O-N 2.88Å; V217-G219 VanDerWaalsContact C-N 3.32Å; V217-G219 PolarHBondContact O-N 2.89Å; V217-G220 PolarHBondContact O-N 3.3Å; V217-L221 HydrophobicContact CG1-CD1 3.97Å; V217-L221 WeakPolarHBondContact O-CD1 3.29Å; V217-L221 PolarHBondContact O-N 2.83Å
218	W	94.7	Very high	92.4	Very high	24 Å²	24	29.6 Å²	29.6	9%	0.091	14%	0.142	C	C	.	.	H	α-helix	trans	-68.7	-31.9	-176.5	-62.4	119.8	0	0	0	112.6	G214 L221 A222 T230 I233 I237 V263 I271	G214-W218 VanDerWaalsContact O-CB 3.32Å; G214-W218 WeakPolarHBondContact O-CB 3.45Å; G214-W218 PolarHBondContact O-N 3.08Å; W218-L221 HydrophobicContact CE3-CD2 4.33Å; W218-L221 HydrophobicContact CZ3-CD2 4.19Å; W218-L221 PolarHBondContact O-N 3.11Å; W218-A222 VanDerWaalsContact O-CB 3.31Å; W218-A222 WeakPolarHBondContact O-CB 3.32Å; W218-A222 PolarHBondContact O-N 3.42Å; W218-T230 HydrophobicContact CB-CG2 4.39Å; W218-T230 HydrophobicContact CE3-CG2 3.71Å; W218-T230 HydrophobicContact CZ3-CG2 4.48Å; W218-I233 HydrophobicContact CH2-CB 4.38Å; W218-I233 HydrophobicContact CH2-CG2 3.47Å; W218-I233 VanDerWaalsContact CH2-CG2 3.47Å; W218-I233 HydrophobicContact CZ3-CB 4.17Å; W218-I233 HydrophobicContact CZ3-CG2 3.66Å; W218-I237 HydrophobicContact CH2-CD1 3.51Å; W218-I237 HydrophobicContact CZ2-CD1 3.32Å; W218-V263 PolarHBondContact NE1-O 3.14Å; W218-I271 HydrophobicContact CB-CD1 4.15Å
219	G	91.4	Very high	92.4	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-60.1	-45.6	174.6	0	0	0	0	0	112.3	A215 V217 T678 T679	A215-G219 WeakPolarHBondContact O-CA 3.21Å; A215-G219 PolarHBondContact O-N 3.36Å; V217-G219 VanDerWaalsContact C-N 3.32Å; V217-G219 PolarHBondContact O-N 2.89Å; G219-T678 CarbonylContact O-C 3.31Å; G219-T678 VanDerWaalsContact O-C 3.24Å; G219-T679 PolarHBondContact O-N 3.47Å
220	G	90.2	Very high	92.5	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.01	14%	0.14	C	C	.	.	H	α-helix	trans	-70.1	-40.4	175.7	0	0	0	0	0	113.8	F216 V217 A222	F216-G220 PolarHBondContact O-N 3.39Å; V217-G220 PolarHBondContact O-N 3.3Å; G220-A222 VanDerWaalsContact C-N 3.28Å; G220-A222 PolarHBondContact O-N 3.11Å
221	L	91.4	Very high	92.5	Very high	40 Å²	40	29.3 Å²	29.3	21%	0.209	14%	0.14	C	C	.	.	H	α-helix	trans	-65.9	-31.3	179.8	-93.4	73.8	0	0	0	112.5	V217 W218 D223 R224 I225 T230 V426	V217-L221 HydrophobicContact CG1-CD1 3.97Å; V217-L221 WeakPolarHBondContact O-CD1 3.29Å; V217-L221 PolarHBondContact O-N 2.83Å; W218-L221 HydrophobicContact CE3-CD2 4.33Å; W218-L221 HydrophobicContact CZ3-CD2 4.19Å; W218-L221 PolarHBondContact O-N 3.11Å; L221-D223 VanDerWaalsContact C-N 3.32Å; L221-D223 PolarHBondContact O-N 3.48Å; L221-R224 PolarHBondContact O-N 3Å; L221-R224 VanDerWaalsContact O-N 3.07Å; L221-I225 HydrophobicContact CB-CD1 4.18Å; L221-I225 HydrophobicContact CD2-CD1 3.77Å; L221-I225 HydrophobicContact CG-CD1 4Å; L221-I225 PolarHBondContact O-N 2.67Å; L221-T230 HydrophobicContact CB-CG2 4.15Å; L221-V426 HydrophobicContact CD1-CG2 4.12Å
222	A	91.8	Very high	92.6	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-63.6	-33.5	-177	0	0	0	0	0	114.1	W218 G220 R224 G226 T230 I271 T678	W218-A222 VanDerWaalsContact O-CB 3.31Å; W218-A222 WeakPolarHBondContact O-CB 3.32Å; W218-A222 PolarHBondContact O-N 3.42Å; G220-A222 VanDerWaalsContact C-N 3.28Å; G220-A222 PolarHBondContact O-N 3.11Å; A222-R224 PolarHBondContact O-N 3.44Å; A222-G226 CarbonylContact O-C 3.53Å; A222-G226 VanDerWaalsContact O-C 3.31Å; A222-G226 PolarHBondContact O-N 2.97Å; A222-T230 WeakPolarHBondContact CA-OG1 3.36Å; A222-T230 HydrophobicContact CB-CG2 4.02Å; A222-I271 HydrophobicContact CB-CD1 4.04Å; A222-I271 HydrophobicContact CB-CG1 3.7Å; A222-T678 HydrophobicContact CB-CG2 3.46Å; A222-T678 VanDerWaalsContact CB-CG2 3.46Å
223	D	89	Confident	92.6	Very high	10 Å²	10	31 Å²	31	5%	0.053	15%	0.15	C	C	.	.	H	α-helix	trans	-73.3	-14.7	176.8	-71.5	-33.5	0	0	0	112.6	L221 R227 T678 T679	L221-D223 VanDerWaalsContact C-N 3.32Å; L221-D223 PolarHBondContact O-N 3.48Å; D223-R227 IonicContact OD1-CZ 3.79Å; D223-R227 IonicContact OD1-NE 2.71Å; D223-R227 IonicContact OD1-NH2 3.92Å; D223-R227 PolarHBondContact OD1-NH2 3.46Å; D223-T678 WeakPolarHBondContact OD1-CB 3.1Å; D223-T678 PolarHBondContact OD1-OG1 3.46Å; D223-T678 PolarHBondContact OD2-N 3.35Å; D223-T679 WeakPolarHBondContact OD2-CB 3.34Å; D223-T679 PolarHBondContact OD2-N 3.14Å; D223-T679 PolarHBondContact OD2-OG1 2.83Å
224	R	85.4	Confident	92.6	Very high	91 Å²	91	27.6 Å²	27.6	34%	0.343	13%	0.129	S	C	.	.	H	α-helix	trans	-109	-43.7	-176.5	-64.2	-64.1	-176.6	153.8	-3.8	113.8	L221 A222 N429	L221-R224 PolarHBondContact O-N 3Å; L221-R224 VanDerWaalsContact O-N 3.07Å; A222-R224 PolarHBondContact O-N 3.44Å; R224-N429 PolarHBondContact NE-ND2 3.39Å; R224-N429 PolarHBondContact NH2-OD1 3.32Å
225	I	87.9	Confident	92.6	Very high	62 Å²	62	27.6 Å²	27.6	32%	0.318	13%	0.129	S	C	.	.	H	α-helix	trans	-87.4	-23	-176.1	-60.4	177.1	0	0	0	111	L221 Q229	L221-I225 HydrophobicContact CB-CD1 4.18Å; L221-I225 HydrophobicContact CD2-CD1 3.77Å; L221-I225 HydrophobicContact CG-CD1 4Å; L221-I225 PolarHBondContact O-N 2.67Å; I225-Q229 HydrophobicContact CG2-CB 4.06Å; I225-Q229 HydrophobicContact CG2-CG 3.74Å
226	G	89.7	Confident	92.7	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.145	C	C	.	.			trans	111.9	153.3	-172.5	0	0	0	0	0	111.3	A222 T230 F356	A222-G226 CarbonylContact O-C 3.53Å; A222-G226 VanDerWaalsContact O-C 3.31Å; A222-G226 PolarHBondContact O-N 2.97Å; G226-T230 VanDerWaalsContact O-CB 3.23Å; G226-T230 WeakPolarHBondContact O-CB 3.3Å; G226-T230 PolarHBondContact O-N 3.34Å; G226-T230 PolarHBondContact O-OG1 2.93Å; G226-F356 VanDerWaalsContact CA-CZ 3.45Å; G226-F356 VanDerWaalsContact N-CZ 3.33Å
227	R	93.4	Very high	92.8	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-74.4	-48.3	-172.8	-74.5	84.4	-164.3	-165.1	12.2	110.8	D223 L231 I271 Y275 E278 E352 F356 E359 S674	D223-R227 IonicContact OD1-CZ 3.79Å; D223-R227 IonicContact OD1-NE 2.71Å; D223-R227 IonicContact OD1-NH2 3.92Å; D223-R227 PolarHBondContact OD1-NH2 3.46Å; R227-L231 WeakPolarHBondContact O-CB 3.21Å; R227-L231 PolarHBondContact O-N 3.33Å; R227-I271 HydrophobicContact CB-CG2 4.22Å; R227-I271 WeakPolarHBondContact O-CG2 3.12Å; R227-Y275 HydrophobicContact CB-CD2 3.76Å; R227-Y275 HydrophobicContact CB-CG 4.07Å; R227-E278 IonicContact CZ-OE1 2.68Å; R227-E278 IonicContact CZ-OE2 2.97Å; R227-E278 IonicContact NE-OE1 3.92Å; R227-E278 IonicContact NH1-OE1 3.31Å; R227-E278 IonicContact NH1-OE2 3.62Å; R227-E278 PolarHBondContact NH1-OE2 3.4Å; R227-E352 PolarHBondContact N-OE1 2.94Å; R227-E352 PolarHBondContact N-OE2 3.48Å; R227-F356 VanDerWaalsContact NH1-CB 3.29Å; R227-E359 IonicContact NH1-OE2 2.75Å; R227-E359 IonicContact NH2-OE2 3.6Å; R227-S674 PolarHBondContact NH2-O 2.86Å; R227-S674 VanDerWaalsContact NH2-O 3.1Å
228	R	94.3	Very high	92.9	Very high	66 Å²	66	26.8 Å²	26.8	25%	0.249	13%	0.129	C	C	.	.	H	α-helix	trans	-63.1	-49.3	177.6	173.4	-165	170.2	-141.6	10.7	111.2	T230 L231 L232 Y275 L347 S348 M350 E352	R228-T230 VanDerWaalsContact C-N 3.33Å; R228-T230 PolarHBondContact O-N 2.95Å; R228-L231 PolarHBondContact O-N 3.49Å; R228-L232 HydrophobicContact CG-CD1 4.21Å; R228-L232 PolarHBondContact O-N 3.48Å; R228-Y275 HydrophobicContact CB-CE2 4.41Å; R228-L347 HydrophobicContact CG-CD1 4.32Å; R228-L347 HydrophobicContact CG-CG 4.26Å; R228-L347 PolarHBondContact NE-O 3.15Å; R228-S348 PolarHBondContact NH2-O 3.24Å; R228-M350 WeakPolarHBondContact CD-O 3.47Å; R228-M350 PolarHBondContact NE-O 3.45Å; R228-E352 WeakPolarHBondContact CB-OE2 3.31Å; R228-E352 PolarHBondContact N-OE1 3.34Å; R228-E352 PolarHBondContact N-OE2 3.42Å; R228-E352 VanDerWaalsContact N-OE2 3.11Å
229	Q	93	Very high	92.9	Very high	85 Å²	85	26.3 Å²	26.3	40%	0.397	13%	0.129	S	C	.	.	H	α-helix	trans	-62.8	-42.4	-176.2	-173.5	63.5	24.2	0	0	111.6	I225 L232 I233 E352	I225-Q229 HydrophobicContact CG2-CB 4.06Å; I225-Q229 HydrophobicContact CG2-CG 3.74Å; Q229-L232 PolarHBondContact O-N 3.15Å; Q229-I233 HydrophobicContact CG-CD1 4.15Å; Q229-I233 VanDerWaalsContact O-CG1 3.3Å; Q229-I233 WeakPolarHBondContact O-CG1 3.38Å; Q229-I233 PolarHBondContact O-N 3.07Å; Q229-I233 VanDerWaalsContact O-N 3.13Å; Q229-E352 PolarHBondContact N-OE2 2.91Å
230	T	94.5	Very high	93.1	Very high	1 Å²	1	29.9 Å²	29.9	1%	0.006	15%	0.151	C	C	.	.	H	α-helix	trans	-66.6	-41.2	178.8	-54.2	0	0	0	0	111.5	W218 L221 A222 G226 R228 L232 I233 S234 I271	W218-T230 HydrophobicContact CB-CG2 4.39Å; W218-T230 HydrophobicContact CE3-CG2 3.71Å; W218-T230 HydrophobicContact CZ3-CG2 4.48Å; L221-T230 HydrophobicContact CB-CG2 4.15Å; A222-T230 WeakPolarHBondContact CA-OG1 3.36Å; A222-T230 HydrophobicContact CB-CG2 4.02Å; G226-T230 VanDerWaalsContact O-CB 3.23Å; G226-T230 WeakPolarHBondContact O-CB 3.3Å; G226-T230 PolarHBondContact O-N 3.34Å; G226-T230 PolarHBondContact O-OG1 2.93Å; R228-T230 VanDerWaalsContact C-N 3.33Å; R228-T230 PolarHBondContact O-N 2.95Å; T230-L232 PolarHBondContact O-N 3.39Å; T230-I233 PolarHBondContact O-N 2.54Å; T230-S234 VanDerWaalsContact O-CB 3.31Å; T230-S234 WeakPolarHBondContact O-CB 3.21Å; T230-S234 PolarHBondContact O-N 3.24Å; T230-I271 HydrophobicContact CG2-CD1 3.62Å
231	L	95.4	Very high	93.3	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-62.8	-40.8	175.8	-174.1	59.6	0	0	0	112.3	L168 R227 R228 S234 L235 I271 V272 L347	L168-L231 HydrophobicContact CD2-CD2 3.87Å; R227-L231 WeakPolarHBondContact O-CB 3.21Å; R227-L231 PolarHBondContact O-N 3.33Å; R228-L231 PolarHBondContact O-N 3.49Å; L231-S234 PolarHBondContact O-N 3.01Å; L231-L235 HydrophobicContact CD1-CD1 4.07Å; L231-L235 HydrophobicContact CD1-CG 4.14Å; L231-L235 HydrophobicContact CG-CD1 3.96Å; L231-L235 HydrophobicContact CG-CG 4.44Å; L231-L235 WeakPolarHBondContact O-CB 3.27Å; L231-L235 WeakPolarHBondContact O-CG 3.31Å; L231-L235 PolarHBondContact O-N 3.18Å; L231-I271 HydrophobicContact CB-CG2 3.79Å; L231-I271 HydrophobicContact CD1-CB 4.48Å; L231-I271 HydrophobicContact CD1-CG2 4.47Å; L231-I271 HydrophobicContact CG-CG2 4.49Å; L231-V272 HydrophobicContact CD1-CG2 3.95Å; L231-V272 HydrophobicContact CD2-CG2 3.71Å; L231-L347 HydrophobicContact CB-CD2 3.84Å; L231-L347 HydrophobicContact CD2-CD1 4.22Å; L231-L347 HydrophobicContact CD2-CD2 3.58Å; L231-L347 HydrophobicContact CG-CD2 3.56Å
232	L	96	Very high	93.4	Very high	25 Å²	25	30.9 Å²	30.9	13%	0.131	15%	0.153	C	C	.	.	H	α-helix	trans	-60.6	-45.7	175.4	-81.7	171.3	0	0	0	112.2	R228 Q229 T230 S236 I344 L347	R228-L232 HydrophobicContact CG-CD1 4.21Å; R228-L232 PolarHBondContact O-N 3.48Å; Q229-L232 PolarHBondContact O-N 3.15Å; T230-L232 PolarHBondContact O-N 3.39Å; L232-S236 VanDerWaalsContact O-CB 3.27Å; L232-S236 WeakPolarHBondContact O-CB 3.36Å; L232-S236 PolarHBondContact O-N 3.27Å; L232-S236 PolarHBondContact O-OG 3.25Å; L232-I344 HydrophobicContact CD2-CG2 4.11Å; L232-L347 HydrophobicContact CB-CD2 4.49Å; L232-L347 HydrophobicContact CD2-CB 3.9Å; L232-L347 HydrophobicContact CD2-CD2 3.79Å; L232-L347 HydrophobicContact CD2-CG 3.95Å; L232-L347 HydrophobicContact CG-CB 4.47Å; L232-L347 HydrophobicContact CG-CD2 3.66Å; L232-L347 HydrophobicContact CG-CG 3.96Å
233	I	95.1	Very high	93.5	Very high	60 Å²	60	35.4 Å²	35.4	31%	0.308	17%	0.173	S	C	.	.	H	α-helix	trans	-65.4	-47	-179.9	-62.9	164.1	0	0	0	110.3	W218 Q229 T230 S236 I237	W218-I233 HydrophobicContact CH2-CB 4.38Å; W218-I233 HydrophobicContact CH2-CG2 3.47Å; W218-I233 VanDerWaalsContact CH2-CG2 3.47Å; W218-I233 HydrophobicContact CZ3-CB 4.17Å; W218-I233 HydrophobicContact CZ3-CG2 3.66Å; Q229-I233 HydrophobicContact CG-CD1 4.15Å; Q229-I233 VanDerWaalsContact O-CG1 3.3Å; Q229-I233 WeakPolarHBondContact O-CG1 3.38Å; Q229-I233 PolarHBondContact O-N 3.07Å; Q229-I233 VanDerWaalsContact O-N 3.13Å; T230-I233 PolarHBondContact O-N 2.54Å; I233-S236 PolarHBondContact O-N 3.5Å; I233-I237 HydrophobicContact CG2-CD1 3.97Å; I233-I237 WeakPolarHBondContact O-CG1 3.31Å; I233-I237 PolarHBondContact O-N 3.4Å
234	S	95.4	Very high	93.7	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-56.4	-51	177.4	149.5	0	0	0	0	112.1	T230 L231 S236 I237 N238 G264	T230-S234 VanDerWaalsContact O-CB 3.31Å; T230-S234 WeakPolarHBondContact O-CB 3.21Å; T230-S234 PolarHBondContact O-N 3.24Å; L231-S234 PolarHBondContact O-N 3.01Å; S234-S236 VanDerWaalsContact C-N 3.34Å; S234-S236 PolarHBondContact O-N 3.03Å; S234-I237 PolarHBondContact O-N 2.96Å; S234-N238 PolarHBondContact O-N 3.2Å; S234-N238 VanDerWaalsContact O-N 3.11Å; S234-G264 WeakPolarHBondContact CB-O 3.31Å; S234-G264 CarbonylContact O-C 3.59Å; S234-G264 WeakPolarHBondContact O-CA 3.47Å; S234-G264 PolarHBondContact OG-O 2.99Å
235	L	95.3	Very high	94	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-66.2	-35.6	178.6	-71.4	173.3	0	0	0	112.4	A171 L231 N238 S239 I265 A343 I344 L347	A171-L235 HydrophobicContact CB-CD1 3.92Å; L231-L235 HydrophobicContact CD1-CD1 4.07Å; L231-L235 HydrophobicContact CD1-CG 4.14Å; L231-L235 HydrophobicContact CG-CD1 3.96Å; L231-L235 HydrophobicContact CG-CG 4.44Å; L231-L235 WeakPolarHBondContact O-CB 3.27Å; L231-L235 WeakPolarHBondContact O-CG 3.31Å; L231-L235 PolarHBondContact O-N 3.18Å; L235-N238 PolarHBondContact O-N 2.97Å; L235-S239 WeakPolarHBondContact O-CB 3.48Å; L235-S239 PolarHBondContact O-N 3.42Å; L235-I265 HydrophobicContact CD2-CD1 3.83Å; L235-A343 HydrophobicContact CD1-CB 4.13Å; L235-I344 HydrophobicContact CB-CD1 4.21Å; L235-I344 HydrophobicContact CB-CG1 3.74Å; L235-L347 HydrophobicContact CD1-CD2 4.36Å
236	S	95.6	Very high	94.1	Very high	46 Å²	46	32.9 Å²	32.9	32%	0.322	16%	0.162	S	C	.	.	H	α-helix	trans	-65	-42.5	177.6	-61.2	0	0	0	0	111.7	L232 I233 S234 S239 V240	L232-S236 VanDerWaalsContact O-CB 3.27Å; L232-S236 WeakPolarHBondContact O-CB 3.36Å; L232-S236 PolarHBondContact O-N 3.27Å; L232-S236 PolarHBondContact O-OG 3.25Å; I233-S236 PolarHBondContact O-N 3.5Å; S234-S236 VanDerWaalsContact C-N 3.34Å; S234-S236 PolarHBondContact O-N 3.03Å; S236-S239 PolarHBondContact O-N 3.48Å; S236-V240 WeakPolarHBondContact O-CB 3.25Å; S236-V240 VanDerWaalsContact O-CG2 3.27Å; S236-V240 WeakPolarHBondContact O-CG2 3.2Å; S236-V240 PolarHBondContact O-N 3.35Å
237	I	95.7	Very high	94.1	Very high	49 Å²	49	36.9 Å²	36.9	25%	0.251	18%	0.18	S	C	.	.	H	α-helix	trans	-61.3	-47.4	174.9	-70.6	165.9	0	0	0	110	W218 I233 S234 S239 V240 F241	W218-I237 HydrophobicContact CH2-CD1 3.51Å; W218-I237 HydrophobicContact CZ2-CD1 3.32Å; I233-I237 HydrophobicContact CG2-CD1 3.97Å; I233-I237 WeakPolarHBondContact O-CG1 3.31Å; I233-I237 PolarHBondContact O-N 3.4Å; S234-I237 PolarHBondContact O-N 2.96Å; I237-S239 PolarHBondContact O-N 3.48Å; I237-V240 PolarHBondContact O-N 2.9Å; I237-F241 HydrophobicContact CG2-CD2 3.8Å; I237-F241 HydrophobicContact CG2-CE2 4.02Å; I237-F241 VanDerWaalsContact O-CD2 3.28Å; I237-F241 WeakPolarHBondContact O-CD2 3.4Å; I237-F241 PolarHBondContact O-N 3.21Å; I237-F241 VanDerWaalsContact O-N 3.11Å
238	N	95.3	Very high	93.9	Very high	3 Å²	3	38.4 Å²	38.4	2%	0.016	19%	0.189	C	C	.	.	H	α-helix	trans	-56.9	-49.3	175.5	-176.7	51.2	0	0	0	111.5	S234 L235 V240 F241 A242 S261 I265	S234-N238 PolarHBondContact O-N 3.2Å; S234-N238 VanDerWaalsContact O-N 3.11Å; L235-N238 PolarHBondContact O-N 2.97Å; N238-V240 PolarHBondContact O-N 2.81Å; N238-F241 PolarHBondContact O-N 3.04Å; N238-A242 WeakPolarHBondContact O-CB 3.4Å; N238-A242 PolarHBondContact O-N 3.38Å; N238-S261 PolarHBondContact O-OG 3.4Å; N238-S261 VanDerWaalsContact O-OG 3.11Å; N238-S261 PolarHBondContact OD1-O 3.04Å; N238-S261 PolarHBondContact OD1-OG 3.39Å; N238-I265 HydrophobicContact CB-CB 4.3Å; N238-I265 HydrophobicContact CB-CD1 4.47Å
239	S	94.6	Very high	93.4	Very high	14 Å²	14	38.6 Å²	38.6	10%	0.098	19%	0.192	C	C	.	.	H	α-helix	trans	-60.9	-45.3	-177.2	-164.2	0	0	0	0	112.9	L235 S236 I237 F243 S340 V341	L235-S239 WeakPolarHBondContact O-CB 3.48Å; L235-S239 PolarHBondContact O-N 3.42Å; S236-S239 PolarHBondContact O-N 3.48Å; I237-S239 PolarHBondContact O-N 3.48Å; S239-F243 VanDerWaalsContact O-CB 3.25Å; S239-F243 WeakPolarHBondContact O-CB 3.44Å; S239-F243 PolarHBondContact O-N 3.39Å; S239-S340 VanDerWaalsContact CB-OG 3.32Å; S239-S340 WeakPolarHBondContact CB-OG 3.45Å; S239-S340 PolarHBondContact OG-OG 3.03Å; S239-S340 VanDerWaalsContact OG-OG 3.08Å; S239-V341 WeakPolarHBondContact OG-CG2 3.18Å
240	V	95.6	Very high	93	Very high	74 Å²	74	36.4 Å²	36.4	45%	0.448	19%	0.193	S	C	.	.	H	α-helix	trans	-65.1	-48.8	-179.2	170.9	0	0	0	0	111.1	S236 I237 N238 F243 F244	S236-V240 WeakPolarHBondContact O-CB 3.25Å; S236-V240 VanDerWaalsContact O-CG2 3.27Å; S236-V240 WeakPolarHBondContact O-CG2 3.2Å; S236-V240 PolarHBondContact O-N 3.35Å; I237-V240 PolarHBondContact O-N 2.9Å; N238-V240 PolarHBondContact O-N 2.81Å; V240-F243 PolarHBondContact O-N 3.35Å; V240-F244 HydrophobicContact CG1-CD2 3.65Å; V240-F244 HydrophobicContact CG1-CE2 3.57Å; V240-F244 WeakPolarHBondContact O-CD2 3.49Å; V240-F244 PolarHBondContact O-N 2.84Å
241	F	95.7	Very high	92.7	Very high	61 Å²	61	38 Å²	38	27%	0.268	20%	0.199	S	C	.	.	H	α-helix	trans	-73.5	-34	-178.8	-75.9	-70.7	0	0	0	112.9	I237 N238 F244 S245 F256 A260	I237-F241 HydrophobicContact CG2-CD2 3.8Å; I237-F241 HydrophobicContact CG2-CE2 4.02Å; I237-F241 VanDerWaalsContact O-CD2 3.28Å; I237-F241 WeakPolarHBondContact O-CD2 3.4Å; I237-F241 PolarHBondContact O-N 3.21Å; I237-F241 VanDerWaalsContact O-N 3.11Å; N238-F241 PolarHBondContact O-N 3.04Å; F241-F244 PolarHBondContact O-N 2.7Å; F241-S245 VanDerWaalsContact O-CB 3.31Å; F241-S245 WeakPolarHBondContact O-CB 3.35Å; F241-S245 PolarHBondContact O-N 3.43Å; F241-F256 HydrophobicContact CE1-CE1 4.16Å; F241-A260 HydrophobicContact CB-CB 4.19Å; F241-A260 HydrophobicContact CD1-CB 3.71Å; F241-A260 HydrophobicContact CD2-CB 3.63Å; F241-A260 HydrophobicContact CE1-CB 3.92Å; F241-A260 HydrophobicContact CE2-CB 3.86Å; F241-A260 HydrophobicContact CG-CB 3.56Å; F241-A260 HydrophobicContact CZ-CB 4Å
242	A	92.7	Very high	92.4	Very high	1 Å²	1	42.4 Å²	42.4	1%	0.008	23%	0.229	C	C	.	.	H	α-helix	trans	-61.4	-46.6	171.5	0	0	0	0	0	111	N238 S245 S261 A337	N238-A242 WeakPolarHBondContact O-CB 3.4Å; N238-A242 PolarHBondContact O-N 3.38Å; A242-S245 PolarHBondContact O-N 2.83Å; A242-S245 PolarHBondContact O-OG 3.42Å; A242-S261 PolarHBondContact N-OG 3.33Å; A242-A337 HydrophobicContact CB-CB 4.23Å
243	F	93.3	Very high	92.2	Very high	95 Å²	95	44.3 Å²	44.3	42%	0.417	25%	0.245	S	C	.	.	H	α-helix	trans	-58.8	-52.4	175.8	179	-94	0	0	0	111.4	S239 V240 S245 S246 F247 L334	S239-F243 VanDerWaalsContact O-CB 3.25Å; S239-F243 WeakPolarHBondContact O-CB 3.44Å; S239-F243 PolarHBondContact O-N 3.39Å; V240-F243 PolarHBondContact O-N 3.35Å; F243-S245 VanDerWaalsContact C-N 3.28Å; F243-S245 PolarHBondContact O-N 3.19Å; F243-S246 PolarHBondContact O-N 2.98Å; F243-S246 PolarHBondContact O-OG 3.31Å; F243-F247 HydrophobicContact CD1-CD2 4.47Å; F243-F247 HydrophobicContact CD1-CE2 4.03Å; F243-F247 HydrophobicContact CD2-CE2 4.39Å; F243-F247 HydrophobicContact CE1-CD2 4.23Å; F243-F247 AromaticContact CE1-CE2 3.55Å; F243-F247 HydrophobicContact CE1-CE2 3.55Å; F243-F247 HydrophobicContact CE1-CZ 4.35Å; F243-F247 AromaticContact CE2-CE2 3.97Å; F243-F247 HydrophobicContact CE2-CE2 3.97Å; F243-F247 HydrophobicContact CE2-CZ 4.43Å; F243-F247 HydrophobicContact CG-CE2 4.43Å; F243-F247 AromaticContact CZ-CE2 3.52Å; F243-F247 HydrophobicContact CZ-CE2 3.52Å; F243-F247 AromaticContact CZ-CZ 3.96Å; F243-F247 HydrophobicContact CZ-CZ 3.96Å; F243-F247 WeakPolarHBondContact O-CD2 3.25Å; F243-L334 HydrophobicContact CD2-CD1 3.48Å; F243-L334 VanDerWaalsContact CD2-CD1 3.48Å; F243-L334 HydrophobicContact CE2-CD1 3.52Å; F243-L334 HydrophobicContact CG-CD1 4.43Å; F243-L334 HydrophobicContact CZ-CD1 4.47Å
244	F	93.1	Very high	92	Very high	111 Å²	111	41.6 Å²	41.6	49%	0.487	23%	0.231	S	C	.	.	H	α-helix	trans	-62.2	-34.3	178.6	-78.9	-57.1	0	0	0	112.9	V240 F241 S246 F247 V248	V240-F244 HydrophobicContact CG1-CD2 3.65Å; V240-F244 HydrophobicContact CG1-CE2 3.57Å; V240-F244 WeakPolarHBondContact O-CD2 3.49Å; V240-F244 PolarHBondContact O-N 2.84Å; F241-F244 PolarHBondContact O-N 2.7Å; F244-S246 PolarHBondContact O-N 3.34Å; F244-S246 VanDerWaalsContact O-N 3.11Å; F244-F247 PolarHBondContact O-N 2.7Å; F244-V248 WeakPolarHBondContact O-CG2 3.31Å; F244-V248 PolarHBondContact O-N 3.24Å
245	S	91.9	Very high	91.8	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-58.1	-28.2	179.1	81.6	0	0	0	0	113.1	F241 A242 F243 F247 F254 V333	F241-S245 VanDerWaalsContact O-CB 3.31Å; F241-S245 WeakPolarHBondContact O-CB 3.35Å; F241-S245 PolarHBondContact O-N 3.43Å; A242-S245 PolarHBondContact O-N 2.83Å; A242-S245 PolarHBondContact O-OG 3.42Å; F243-S245 VanDerWaalsContact C-N 3.28Å; F243-S245 PolarHBondContact O-N 3.19Å; S245-F247 VanDerWaalsContact C-N 3.34Å; S245-F247 PolarHBondContact O-N 3.28Å; S245-F254 VanDerWaalsContact O-CD2 3.32Å; S245-F254 WeakPolarHBondContact O-CD2 3.32Å; S245-V333 VanDerWaalsContact OG-CG1 3.31Å; S245-V333 WeakPolarHBondContact OG-CG1 3.07Å
246	S	90.4	Very high	91.8	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-67.8	-32.4	177.9	70.5	0	0	0	0	113	F243 F244 R330	F243-S246 PolarHBondContact O-N 2.98Å; F243-S246 PolarHBondContact O-OG 3.31Å; F244-S246 PolarHBondContact O-N 3.34Å; F244-S246 VanDerWaalsContact O-N 3.11Å; S246-R330 WeakPolarHBondContact CB-O 3.49Å; S246-R330 WeakPolarHBondContact O-CB 3.39Å; S246-R330 WeakPolarHBondContact O-CD 3.46Å; S246-R330 WeakPolarHBondContact O-CG 3.48Å; S246-R330 PolarHBondContact O-NH1 3.14Å
247	F	89.3	Confident	91.8	Very high	84 Å²	84	47 Å²	47	37%	0.368	25%	0.251	S	S	.	.	H	α-helix	trans	-88.5	-16.7	-177	-62.8	-83.8	0	0	0	113.8	F243 F244 S245 Q249 Y324 F326 L334	F243-F247 HydrophobicContact CD1-CD2 4.47Å; F243-F247 HydrophobicContact CD1-CE2 4.03Å; F243-F247 HydrophobicContact CD2-CE2 4.39Å; F243-F247 HydrophobicContact CE1-CD2 4.23Å; F243-F247 AromaticContact CE1-CE2 3.55Å; F243-F247 HydrophobicContact CE1-CE2 3.55Å; F243-F247 HydrophobicContact CE1-CZ 4.35Å; F243-F247 AromaticContact CE2-CE2 3.97Å; F243-F247 HydrophobicContact CE2-CE2 3.97Å; F243-F247 HydrophobicContact CE2-CZ 4.43Å; F243-F247 HydrophobicContact CG-CE2 4.43Å; F243-F247 AromaticContact CZ-CE2 3.52Å; F243-F247 HydrophobicContact CZ-CE2 3.52Å; F243-F247 AromaticContact CZ-CZ 3.96Å; F243-F247 HydrophobicContact CZ-CZ 3.96Å; F243-F247 WeakPolarHBondContact O-CD2 3.25Å; F244-F247 PolarHBondContact O-N 2.7Å; S245-F247 VanDerWaalsContact C-N 3.34Å; S245-F247 PolarHBondContact O-N 3.28Å; F247-Q249 PolarHBondContact O-N 3.48Å; F247-Y324 WeakPolarHBondContact CA-OH 3.01Å; F247-Y324 PolarHBondContact O-OH 3.3Å; F247-F326 HydrophobicContact CD1-CE2 4.27Å; F247-F326 HydrophobicContact CE1-CE2 4.43Å; F247-L334 HydrophobicContact CE2-CD1 4.02Å; F247-L334 HydrophobicContact CZ-CD1 4.26Å
248	V	89.3	Confident	91.7	Very high	32 Å²	32	44.7 Å²	44.7	19%	0.194	24%	0.239	C	C	.	.			trans	-80.7	120.4	-173.1	172.1	0	0	0	0	111.8	F244 F254 R330	F244-V248 WeakPolarHBondContact O-CG2 3.31Å; F244-V248 PolarHBondContact O-N 3.24Å; V248-F254 HydrophobicContact CG1-CB 4.24Å; V248-F254 VanDerWaalsContact CG1-N 3.33Å; V248-R330 PolarHBondContact O-NH1 3.41Å; V248-R330 PolarHBondContact O-NH2 2.88Å
249	Q	84	Confident	91.6	Very high	69 Å²	69	47.2 Å²	47.2	32%	0.322	25%	0.253	S	S	.	.			trans	-90.1	-26.7	-178.2	-73.4	176.8	-19.7	0	0	114.7	F247 A323 Y324 Q325	F247-Q249 PolarHBondContact O-N 3.48Å; Q249-A323 PolarHBondContact OE1-O 3.32Å; Q249-Y324 HydrophobicContact CG-CD2 4.32Å; Q249-Y324 HydrophobicContact CG-CE2 4.11Å; Q249-Y324 VanDerWaalsContact NE2-CA 3.26Å; Q249-Y324 VanDerWaalsContact NE2-CE2 3.27Å; Q249-Q325 PolarHBondContact NE2-O 3.26Å
250	G	85.8	Confident	91.7	Very high	39 Å²	39	47.3 Å²	47.3	40%	0.402	25%	0.254	S	S	.	.	S	Bend	trans	-74.7	132	176.8	0	0	0	0	0	111.9	S252 S253 F254	G250-S252 PolarHBondContact O-N 3.41Å; G250-S253 PolarHBondContact O-N 2.88Å; G250-F254 WeakPolarHBondContact O-CB 3.49Å; G250-F254 PolarHBondContact O-N 2.81Å
251	Y	87.3	Confident	91.7	Very high	36 Å²	36	43.8 Å²	43.8	14%	0.141	23%	0.233	C	C	.	.	H	α-helix	trans	-56.3	-45.7	178.3	172.7	-104.9	0	0	0	112.9	M193 L195 N199 M202 F254 L255	M193-Y251 HydrophobicContact SD-CD2 4.14Å; L195-Y251 HydrophobicContact CD1-CD2 4.2Å; L195-Y251 HydrophobicContact CD1-CE2 4Å; L195-Y251 HydrophobicContact CD2-CD2 3.34Å; L195-Y251 HydrophobicContact CD2-CE2 3.59Å; L195-Y251 HydrophobicContact CD2-CG 3.88Å; L195-Y251 HydrophobicContact CG-CD2 4.43Å; L195-Y251 HydrophobicContact CG-CE2 4.45Å; N199-Y251 WeakPolarHBondContact CA-OH 3.37Å; N199-Y251 HydrophobicContact CB-CE1 4.19Å; N199-Y251 HydrophobicContact CB-CE2 4.48Å; N199-Y251 PolarHBondContact O-OH 3.44Å; M202-Y251 HydrophobicContact CE-CE1 3.79Å; M202-Y251 VanDerWaalsContact CE-OH 3.27Å; M202-Y251 WeakPolarHBondContact CE-OH 3.25Å; Y251-F254 WeakPolarHBondContact O-CB 3.36Å; Y251-F254 PolarHBondContact O-N 3.42Å; Y251-L255 WeakPolarHBondContact O-CB 3.37Å; Y251-L255 PolarHBondContact O-N 3.16Å
252	S	89.5	Confident	91.6	Very high	91 Å²	91	40.9 Å²	40.9	64%	0.636	22%	0.22	S	C	*	.	H	α-helix	trans	-65.7	-41.1	179.9	-55.8	0	0	0	0	112.8	G250 F254 L255 F256	G250-S252 PolarHBondContact O-N 3.41Å; S252-F254 VanDerWaalsContact C-N 3.35Å; S252-L255 WeakPolarHBondContact O-CB 3.2Å; S252-L255 PolarHBondContact O-N 3.25Å; S252-F256 PolarHBondContact O-N 3.38Å
253	S	91.3	Very high	91.8	Very high	66 Å²	66	42.7 Å²	42.7	46%	0.462	23%	0.231	S	C	.	.	H	α-helix	trans	-68	-37.6	176.2	-59.3	0	0	0	0	111.1	G250 F256 C257	G250-S253 PolarHBondContact O-N 2.88Å; S253-F256 PolarHBondContact O-N 3.48Å; S253-C257 PolarHBondContact O-N 2.81Å; S253-C257 PolarHBondContact O-SG 3.39Å; S253-C257 VanDerWaalsContact O-SG 3.36Å
254	F	91.3	Very high	91.8	Very high	2 Å²	2	38.1 Å²	38.1	1%	0.009	21%	0.211	C	C	.	.	H	α-helix	trans	-62.5	-44	173.8	178.8	-109.5	0	0	0	111.1	V185 L203 S245 V248 G250 Y251 S252 F256 C257 R258 W329	V185-F254 HydrophobicContact CG1-CZ 4.28Å; L203-F254 HydrophobicContact CD1-CD1 3.9Å; L203-F254 HydrophobicContact CD1-CE1 3.57Å; L203-F254 HydrophobicContact CD2-CE1 3.96Å; L203-F254 HydrophobicContact CG-CE1 4.41Å; S245-F254 VanDerWaalsContact O-CD2 3.32Å; S245-F254 WeakPolarHBondContact O-CD2 3.32Å; V248-F254 HydrophobicContact CG1-CB 4.24Å; V248-F254 VanDerWaalsContact CG1-N 3.33Å; G250-F254 WeakPolarHBondContact O-CB 3.49Å; G250-F254 PolarHBondContact O-N 2.81Å; Y251-F254 WeakPolarHBondContact O-CB 3.36Å; Y251-F254 PolarHBondContact O-N 3.42Å; S252-F254 VanDerWaalsContact C-N 3.35Å; F254-F256 PolarHBondContact O-N 2.91Å; F254-C257 PolarHBondContact O-N 3.29Å; F254-R258 HydrophobicContact CE1-CG 4.3Å; F254-R258 HydrophobicContact CE2-CG 4.41Å; F254-R258 HydrophobicContact CZ-CG 4.19Å; F254-R258 WeakPolarHBondContact O-CG 3.38Å; F254-R258 PolarHBondContact O-N 2.95Å; F254-W329 HydrophobicContact CE2-CH2 4.23Å; F254-W329 AromaticContact CE2-CZ3 3.93Å; F254-W329 HydrophobicContact CE2-CZ3 3.93Å; F254-W329 HydrophobicContact CZ-CH2 4.29Å; F254-W329 AromaticContact CZ-CZ3 3.89Å; F254-W329 HydrophobicContact CZ-CZ3 3.89Å
255	L	91.9	Very high	91.8	Very high	23 Å²	23	32.9 Å²	32.9	12%	0.12	19%	0.188	C	C	.	.	H	α-helix	trans	-60.7	-43.1	175.4	-165.6	80.6	0	0	0	112	M202 L203 I206 Y251 S252 R258 L259	M202-L255 HydrophobicContact CE-CD1 4.38Å; M202-L255 HydrophobicContact CE-CD2 3.45Å; M202-L255 VanDerWaalsContact CE-CD2 3.45Å; M202-L255 HydrophobicContact CG-CD1 4.34Å; M202-L255 HydrophobicContact CG-CD2 4.31Å; M202-L255 HydrophobicContact SD-CD2 3.99Å; L203-L255 HydrophobicContact CD1-CD1 4.08Å; I206-L255 HydrophobicContact CB-CD1 3.87Å; I206-L255 HydrophobicContact CB-CG 4.33Å; I206-L255 HydrophobicContact CD1-CD2 4.4Å; I206-L255 HydrophobicContact CD1-CG 4.36Å; I206-L255 HydrophobicContact CG1-CD1 4.11Å; I206-L255 HydrophobicContact CG1-CG 3.98Å; I206-L255 HydrophobicContact CG2-CD1 3.64Å; I206-L255 HydrophobicContact CG2-CG 4.28Å; Y251-L255 WeakPolarHBondContact O-CB 3.37Å; Y251-L255 PolarHBondContact O-N 3.16Å; S252-L255 WeakPolarHBondContact O-CB 3.2Å; S252-L255 PolarHBondContact O-N 3.25Å; L255-R258 PolarHBondContact O-N 3.16Å; L255-L259 PolarHBondContact O-N 3.49Å
256	F	94.6	Very high	91.8	Very high	125 Å²	125	32.9 Å²	32.9	55%	0.548	19%	0.188	S	C	.	.	H	α-helix	trans	-62.8	-46.6	176.3	173.7	-99	0	0	0	112.1	F241 S252 S253 F254 R258 L259 A260	F241-F256 HydrophobicContact CE1-CE1 4.16Å; S252-F256 PolarHBondContact O-N 3.38Å; S253-F256 PolarHBondContact O-N 3.48Å; F254-F256 PolarHBondContact O-N 2.91Å; F256-R258 VanDerWaalsContact C-N 3.25Å; F256-R258 PolarHBondContact O-N 3.31Å; F256-L259 PolarHBondContact O-N 2.81Å; F256-A260 WeakPolarHBondContact O-CB 3.33Å; F256-A260 PolarHBondContact O-N 3.42Å
257	C	95.1	Very high	91.7	Very high	11 Å²	11	32.9 Å²	32.9	7%	0.074	19%	0.188	C	C	.	.	H	α-helix	trans	-58.8	-40.1	175.5	-68.3	0	0	0	0	111.2	S253 F254 A260 S261	S253-C257 PolarHBondContact O-N 2.81Å; S253-C257 PolarHBondContact O-SG 3.39Å; S253-C257 VanDerWaalsContact O-SG 3.36Å; F254-C257 PolarHBondContact O-N 3.29Å; C257-A260 PolarHBondContact O-N 2.97Å; C257-S261 WeakPolarHBondContact O-CB 3.18Å; C257-S261 PolarHBondContact O-N 3.46Å
258	R	92.9	Very high	91.8	Very high	1 Å²	1	28.9 Å²	28.9	0%	0.004	17%	0.171	C	C	.	.	H	α-helix	trans	-67.3	-40.4	177.1	-71.7	-68	171.7	160.6	3.6	113.4	E178 V181 I206 V207 F254 L255 F256 S261 G262	E178-R258 IonicContact OE1-CZ 3.57Å; E178-R258 IonicContact OE1-NH1 3.58Å; E178-R258 PolarHBondContact OE1-NH1 2.97Å; E178-R258 IonicContact OE2-NH1 3.46Å; V181-R258 VanDerWaalsContact CG1-NH1 3.31Å; I206-R258 HydrophobicContact CG2-CB 4.13Å; V207-R258 HydrophobicContact CG2-CB 4.03Å; F254-R258 HydrophobicContact CE1-CG 4.3Å; F254-R258 HydrophobicContact CE2-CG 4.41Å; F254-R258 HydrophobicContact CZ-CG 4.19Å; F254-R258 WeakPolarHBondContact O-CG 3.38Å; F254-R258 PolarHBondContact O-N 2.95Å; L255-R258 PolarHBondContact O-N 3.16Å; F256-R258 VanDerWaalsContact C-N 3.25Å; F256-R258 PolarHBondContact O-N 3.31Å; R258-S261 PolarHBondContact O-N 2.89Å; R258-G262 PolarHBondContact O-N 3.4Å
259	L	95.1	Very high	92	Very high	57 Å²	57	28.2 Å²	28.2	30%	0.298	17%	0.166	S	C	.	.	H	α-helix	trans	-59.4	-49.5	172.6	-178.5	67.9	0	0	0	110.6	I206 L255 F256 S261 G262 V263	I206-L259 HydrophobicContact CD1-CB 4.41Å; I206-L259 HydrophobicContact CD1-CD1 3.92Å; I206-L259 HydrophobicContact CG1-CB 3.79Å; I206-L259 HydrophobicContact CG1-CD1 3.84Å; I206-L259 HydrophobicContact CG1-CG 4.31Å; L255-L259 PolarHBondContact O-N 3.49Å; F256-L259 PolarHBondContact O-N 2.81Å; L259-S261 PolarHBondContact O-N 2.96Å; L259-G262 PolarHBondContact O-N 3.32Å; L259-V263 WeakPolarHBondContact O-CG2 3.27Å; L259-V263 PolarHBondContact O-N 3.39Å
260	A	95.9	Very high	92.5	Very high	15 Å²	15	25 Å²	25	12%	0.124	15%	0.15	C	C	.	.	H	α-helix	trans	-64.5	-39.4	-179.2	0	0	0	0	0	112.5	F241 F256 C257 V263 G264	F241-A260 HydrophobicContact CB-CB 4.19Å; F241-A260 HydrophobicContact CD1-CB 3.71Å; F241-A260 HydrophobicContact CD2-CB 3.63Å; F241-A260 HydrophobicContact CE1-CB 3.92Å; F241-A260 HydrophobicContact CE2-CB 3.86Å; F241-A260 HydrophobicContact CG-CB 3.56Å; F241-A260 HydrophobicContact CZ-CB 4Å; F256-A260 WeakPolarHBondContact O-CB 3.33Å; F256-A260 PolarHBondContact O-N 3.42Å; C257-A260 PolarHBondContact O-N 2.97Å; A260-V263 PolarHBondContact O-N 3.34Å; A260-G264 PolarHBondContact O-N 3.05Å
261	S	95.1	Very high	92.9	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-60.8	-46	171.7	-142.6	0	0	0	0	111.3	N238 A242 C257 R258 L259 V263 G264 I265	N238-S261 PolarHBondContact O-OG 3.4Å; N238-S261 VanDerWaalsContact O-OG 3.11Å; N238-S261 PolarHBondContact OD1-O 3.04Å; N238-S261 PolarHBondContact OD1-OG 3.39Å; A242-S261 PolarHBondContact N-OG 3.33Å; C257-S261 WeakPolarHBondContact O-CB 3.18Å; C257-S261 PolarHBondContact O-N 3.46Å; R258-S261 PolarHBondContact O-N 2.89Å; L259-S261 PolarHBondContact O-N 2.96Å; S261-V263 VanDerWaalsContact C-N 3.34Å; S261-V263 PolarHBondContact O-N 3.01Å; S261-G264 WeakPolarHBondContact O-CA 3.44Å; S261-G264 PolarHBondContact O-N 3.17Å; S261-I265 PolarHBondContact O-N 3.4Å
262	G	94.3	Very high	93.3	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-57.8	-42.3	174.9	0	0	0	0	0	112.9	G210 M211 R258 L259 G264 I265 G266	G210-G262 VanDerWaalsContact C-C 3.41Å; G210-G262 CarbonylContact C-O 3.48Å; M211-G262 VanDerWaalsContact CA-O 3.28Å; M211-G262 WeakPolarHBondContact CA-O 3.49Å; M211-G262 PolarHBondContact N-O 3.29Å; R258-G262 PolarHBondContact O-N 3.4Å; L259-G262 PolarHBondContact O-N 3.32Å; G262-G264 VanDerWaalsContact C-N 3.34Å; G262-I265 PolarHBondContact O-N 3.17Å; G262-G266 PolarHBondContact O-N 3.39Å
263	V	96.2	Very high	93.6	Very high	39 Å²	39	17.2 Å²	17.2	24%	0.236	10%	0.095	C	C	.	.	H	α-helix	trans	-62.2	-42.6	173.4	174	0	0	0	0	111	G210 V213 G214 W218 L259 A260 S261	G210-V263 VanDerWaalsContact O-CA 3.29Å; G210-V263 WeakPolarHBondContact O-CA 3.41Å; G210-V263 WeakPolarHBondContact O-CG2 3.48Å; V213-V263 HydrophobicContact CB-CG2 4.38Å; G214-V263 WeakPolarHBondContact CA-O 3.49Å; W218-V263 PolarHBondContact NE1-O 3.14Å; L259-V263 WeakPolarHBondContact O-CG2 3.27Å; L259-V263 PolarHBondContact O-N 3.39Å; A260-V263 PolarHBondContact O-N 3.34Å; S261-V263 VanDerWaalsContact C-N 3.34Å; S261-V263 PolarHBondContact O-N 3.01Å
264	G	94.6	Very high	93.7	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-57	-52.5	174.9	0	0	0	0	0	111.5	S234 A260 S261 G262	S234-G264 WeakPolarHBondContact CB-O 3.31Å; S234-G264 CarbonylContact O-C 3.59Å; S234-G264 WeakPolarHBondContact O-CA 3.47Å; S234-G264 PolarHBondContact OG-O 2.99Å; A260-G264 PolarHBondContact O-N 3.05Å; S261-G264 WeakPolarHBondContact O-CA 3.44Å; S261-G264 PolarHBondContact O-N 3.17Å; G262-G264 VanDerWaalsContact C-N 3.34Å
265	I	92.9	Very high	93.8	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-79.5	-23.4	-170.9	-155.8	59.4	0	0	0	114.6	D175 E178 M211 L235 N238 S261 G262 G267 S268	D175-I265 HydrophobicContact CB-CD1 3.94Å; D175-I265 HydrophobicContact CB-CG1 3.78Å; D175-I265 VanDerWaalsContact OD1-CG1 3.3Å; D175-I265 WeakPolarHBondContact OD1-CG1 3.1Å; E178-I265 HydrophobicContact CG-CG2 4.38Å; M211-I265 HydrophobicContact CE-CG2 4.27Å; M211-I265 HydrophobicContact CG-CG2 3.95Å; L235-I265 HydrophobicContact CD2-CD1 3.83Å; N238-I265 HydrophobicContact CB-CB 4.3Å; N238-I265 HydrophobicContact CB-CD1 4.47Å; S261-I265 PolarHBondContact O-N 3.4Å; G262-I265 PolarHBondContact O-N 3.17Å; I265-G267 PolarHBondContact O-N 3.48Å; I265-S268 VanDerWaalsContact O-CB 3.28Å; I265-S268 WeakPolarHBondContact O-CB 3.42Å; I265-S268 PolarHBondContact O-N 3.46Å; I265-S268 PolarHBondContact O-OG 3.11Å
266	G	91.2	Very high	94	Very high	1 Å²	1	12.9 Å²	12.9	1%	0.01	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-25.6	-176	0	0	0	0	0	115.5	A215 G262 N685	A215-G266 VanDerWaalsContact CA-O 3.28Å; A215-G266 WeakPolarHBondContact CA-O 3.43Å; A215-G266 VanDerWaalsContact CB-O 3.27Å; A215-G266 WeakPolarHBondContact CB-O 3.29Å; G262-G266 PolarHBondContact O-N 3.39Å; G266-N685 PolarHBondContact O-ND2 3.04Å
267	G	87.6	Confident	93.8	Very high	0 Å²	0	7 Å²	7	0%	0	4%	0.041	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-12.5	176.3	0	0	0	0	0	115.8	I265 P270 I271	I265-G267 PolarHBondContact O-N 3.48Å; G267-P270 VanDerWaalsContact O-CD 3.3Å; G267-P270 WeakPolarHBondContact O-CD 3.38Å; G267-P270 VanDerWaalsContact O-CG 3.31Å; G267-P270 WeakPolarHBondContact O-CG 3.46Å; G267-I271 WeakPolarHBondContact O-CD1 3.4Å; G267-I271 WeakPolarHBondContact O-CG1 3.48Å; G267-I271 PolarHBondContact O-N 2.7Å
268	S	92.9	Very high	93.7	Very high	0 Å²	0	6.5 Å²	6.5	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-66.2	-47.8	-167.5	62.1	0	0	0	0	112.9	I265 I271 V272	I265-S268 VanDerWaalsContact O-CB 3.28Å; I265-S268 WeakPolarHBondContact O-CB 3.42Å; I265-S268 PolarHBondContact O-N 3.46Å; I265-S268 PolarHBondContact O-OG 3.11Å; S268-I271 PolarHBondContact O-N 3.21Å; S268-V272 VanDerWaalsContact O-CB 3.3Å; S268-V272 WeakPolarHBondContact O-CB 3.36Å; S268-V272 WeakPolarHBondContact O-CG2 3.36Å; S268-V272 PolarHBondContact O-N 2.93Å
269	I	92.7	Very high	93.6	Very high	18 Å²	18	6.5 Å²	6.5	9%	0.092	4%	0.038	C	C	.	.	H	α-helix	trans	-54.2	-61.3	179.4	-60.1	175	0	0	0	111.8	L172 D175 I271 V272 F273 F681	L172-I269 HydrophobicContact CD2-CG1 4.12Å; D175-I269 WeakPolarHBondContact OD2-CD1 3.4Å; I269-I271 PolarHBondContact O-N 3.32Å; I269-V272 PolarHBondContact O-N 3.31Å; I269-F273 HydrophobicContact CG2-CD2 3.92Å; I269-F273 HydrophobicContact CG2-CE2 3.92Å; I269-F273 VanDerWaalsContact O-CD2 3.28Å; I269-F273 WeakPolarHBondContact O-CD2 3.36Å; I269-F273 PolarHBondContact O-N 3.34Å; I269-F273 VanDerWaalsContact O-N 3.1Å; I269-F681 HydrophobicContact CG2-CE2 4.26Å; I269-F681 HydrophobicContact CG2-CZ 3.93Å
270	P	93.9	Very high	93.3	Very high	0 Å²	0	3.9 Å²	3.9	0%	0	2%	0.024	C	C	.	.	H	α-helix	trans	-61.2	-34.2	-174.9	24.6	-35.6	0	0	0	112.6	G267 S274 T678 F681	G267-P270 VanDerWaalsContact O-CD 3.3Å; G267-P270 WeakPolarHBondContact O-CD 3.38Å; G267-P270 VanDerWaalsContact O-CG 3.31Å; G267-P270 WeakPolarHBondContact O-CG 3.46Å; P270-S274 VanDerWaalsContact O-CB 3.31Å; P270-S274 WeakPolarHBondContact O-CB 3.28Å; P270-S274 PolarHBondContact O-N 3.49Å; P270-S274 VanDerWaalsContact O-N 3.14Å; P270-S274 PolarHBondContact O-OG 3.32Å; P270-T678 HydrophobicContact CB-CG2 4.29Å; P270-F681 HydrophobicContact CB-CB 3.71Å; P270-F681 HydrophobicContact CB-CD1 4.01Å; P270-F681 HydrophobicContact CB-CD2 4.05Å; P270-F681 HydrophobicContact CB-CG 3.64Å
271	I	95.1	Very high	92.8	Very high	0 Å²	0	4.7 Å²	4.7	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-71.9	-48	179.5	-60.2	169.3	0	0	0	111.1	W218 A222 R227 T230 L231 G267 S268 I269 F273 S274 Y275 T678	W218-I271 HydrophobicContact CB-CD1 4.15Å; A222-I271 HydrophobicContact CB-CD1 4.04Å; A222-I271 HydrophobicContact CB-CG1 3.7Å; R227-I271 HydrophobicContact CB-CG2 4.22Å; R227-I271 WeakPolarHBondContact O-CG2 3.12Å; T230-I271 HydrophobicContact CG2-CD1 3.62Å; L231-I271 HydrophobicContact CB-CG2 3.79Å; L231-I271 HydrophobicContact CD1-CB 4.48Å; L231-I271 HydrophobicContact CD1-CG2 4.47Å; L231-I271 HydrophobicContact CG-CG2 4.49Å; G267-I271 WeakPolarHBondContact O-CD1 3.4Å; G267-I271 WeakPolarHBondContact O-CG1 3.48Å; G267-I271 PolarHBondContact O-N 2.7Å; S268-I271 PolarHBondContact O-N 3.21Å; I269-I271 PolarHBondContact O-N 3.32Å; I271-F273 VanDerWaalsContact C-N 3.35Å; I271-F273 PolarHBondContact O-N 2.96Å; I271-S274 PolarHBondContact O-N 3.08Å; I271-Y275 WeakPolarHBondContact O-CB 3.22Å; I271-Y275 PolarHBondContact O-N 3.47Å; I271-T678 HydrophobicContact CB-CG2 4.48Å; I271-T678 HydrophobicContact CG1-CG2 3.82Å
272	V	95.9	Very high	91.9	Very high	0 Å²	0	6.3 Å²	6.3	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-58.9	-46.9	-179.3	162.8	0	0	0	0	111	L168 A171 L172 L231 S268 I269 Y275 Y276 L292	L168-V272 HydrophobicContact CB-CG1 3.85Å; L168-V272 HydrophobicContact CD2-CG2 4.33Å; A171-V272 HydrophobicContact CB-CG2 3.98Å; L172-V272 HydrophobicContact CD1-CG1 3.77Å; L172-V272 HydrophobicContact CD2-CB 4.29Å; L172-V272 HydrophobicContact CD2-CG1 4.14Å; L172-V272 HydrophobicContact CG-CB 4.36Å; L172-V272 HydrophobicContact CG-CG1 3.77Å; L172-V272 HydrophobicContact CG-CG2 4.5Å; L231-V272 HydrophobicContact CD1-CG2 3.95Å; L231-V272 HydrophobicContact CD2-CG2 3.71Å; S268-V272 VanDerWaalsContact O-CB 3.3Å; S268-V272 WeakPolarHBondContact O-CB 3.36Å; S268-V272 WeakPolarHBondContact O-CG2 3.36Å; S268-V272 PolarHBondContact O-N 2.93Å; I269-V272 PolarHBondContact O-N 3.31Å; V272-Y275 PolarHBondContact O-N 3.47Å; V272-Y276 WeakPolarHBondContact O-CB 3.34Å; V272-Y276 PolarHBondContact O-N 3.12Å; V272-L292 HydrophobicContact CG1-CD2 3.71Å; V272-L292 HydrophobicContact CG1-CG 4.5Å
273	F	94.3	Very high	91	Very high	3 Å²	3	13.5 Å²	13.5	1%	0.013	7%	0.072	C	C	.	.	H	α-helix	trans	-66.9	-42.9	-179.9	-85.9	-98.8	0	0	0	112.3	L172 I269 I271 S277 L289 C293 D665 V669 F681	L172-F273 HydrophobicContact CD1-CE2 4.16Å; L172-F273 HydrophobicContact CD2-CE2 4.26Å; I269-F273 HydrophobicContact CG2-CD2 3.92Å; I269-F273 HydrophobicContact CG2-CE2 3.92Å; I269-F273 VanDerWaalsContact O-CD2 3.28Å; I269-F273 WeakPolarHBondContact O-CD2 3.36Å; I269-F273 PolarHBondContact O-N 3.34Å; I269-F273 VanDerWaalsContact O-N 3.1Å; I271-F273 VanDerWaalsContact C-N 3.35Å; I271-F273 PolarHBondContact O-N 2.96Å; F273-S277 VanDerWaalsContact O-CB 3.26Å; F273-S277 WeakPolarHBondContact O-CB 3.3Å; F273-S277 PolarHBondContact O-N 3.42Å; F273-S277 PolarHBondContact O-OG 3.01Å; F273-L289 HydrophobicContact CD1-CD2 3.95Å; F273-C293 WeakPolarHBondContact CZ-SG 3.3Å; F273-D665 HydrophobicContact CD1-CB 4.18Å; F273-D665 HydrophobicContact CE1-CB 3.61Å; F273-D665 HydrophobicContact CZ-CB 3.79Å; F273-V669 HydrophobicContact CB-CG2 3.65Å; F273-V669 HydrophobicContact CD1-CG2 4.25Å; F273-V669 HydrophobicContact CG-CG2 4.37Å; F273-F681 HydrophobicContact CB-CD1 4.4Å; F273-F681 HydrophobicContact CB-CE1 3.68Å; F273-F681 HydrophobicContact CD2-CE1 4.45Å; F273-F681 HydrophobicContact CG-CE1 4.01Å; F273-F681 HydrophobicContact CG-CZ 4.5Å
274	S	93.3	Very high	90.2	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-61.6	-48.8	176	-58	0	0	0	0	110.6	P270 I271 Y276 S277 E278 T678	P270-S274 VanDerWaalsContact O-CB 3.31Å; P270-S274 WeakPolarHBondContact O-CB 3.28Å; P270-S274 PolarHBondContact O-N 3.49Å; P270-S274 VanDerWaalsContact O-N 3.14Å; P270-S274 PolarHBondContact O-OG 3.32Å; I271-S274 PolarHBondContact O-N 3.08Å; S274-Y276 PolarHBondContact O-N 2.9Å; S274-S277 PolarHBondContact O-N 2.6Å; S274-S277 PolarHBondContact O-OG 2.72Å; S274-E278 WeakPolarHBondContact O-CG 3.41Å; S274-E278 PolarHBondContact O-N 2.97Å; S274-T678 WeakPolarHBondContact CB-OG1 3.38Å; S274-T678 PolarHBondContact OG-OG1 2.84Å
275	Y	95.1	Very high	89.8	Confident	0 Å²	0	16.9 Å²	16.9	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-62.1	-45.5	-178.9	-175.8	-131.2	0	0	0	112.3	L164 L168 R227 R228 I271 V272 S277 E278 F279 L347 P351	L164-Y275 HydrophobicContact CD1-CD1 4.34Å; L164-Y275 HydrophobicContact CD1-CE1 3.58Å; L168-Y275 HydrophobicContact CD1-CD1 3.6Å; L168-Y275 HydrophobicContact CD1-CE1 4.13Å; L168-Y275 HydrophobicContact CD1-CG 4.48Å; L168-Y275 HydrophobicContact CD2-CD1 3.5Å; L168-Y275 VanDerWaalsContact CD2-CD1 3.5Å; L168-Y275 HydrophobicContact CD2-CE1 3.78Å; L168-Y275 HydrophobicContact CG-CD1 4.11Å; L168-Y275 HydrophobicContact CG-CE1 4.37Å; R227-Y275 HydrophobicContact CB-CD2 3.76Å; R227-Y275 HydrophobicContact CB-CG 4.07Å; R228-Y275 HydrophobicContact CB-CE2 4.41Å; I271-Y275 WeakPolarHBondContact O-CB 3.22Å; I271-Y275 PolarHBondContact O-N 3.47Å; V272-Y275 PolarHBondContact O-N 3.47Å; Y275-S277 PolarHBondContact O-N 3.31Å; Y275-E278 PolarHBondContact O-N 2.95Å; Y275-F279 AromaticContact CD2-CE2 3.95Å; Y275-F279 HydrophobicContact CD2-CE2 3.95Å; Y275-F279 HydrophobicContact CE2-CD2 4.47Å; Y275-F279 AromaticContact CE2-CE2 3.52Å; Y275-F279 HydrophobicContact CE2-CE2 3.52Å; Y275-F279 HydrophobicContact CE2-CZ 4.25Å; Y275-F279 WeakPolarHBondContact O-CD2 3.42Å; Y275-L347 HydrophobicContact CE1-CD1 4.14Å; Y275-P351 PolarHBondContact OH-O 2.97Å
276	Y	94.7	Very high	89.3	Confident	0 Å²	0	16.9 Å²	16.9	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-66.9	-39.3	178.1	-167.5	-137.2	0	0	0	112.3	L164 Y165 L168 V272 S274 E278 F279 L280 H288 L289 L292	L164-Y276 HydrophobicContact CD2-CD2 3.96Å; L164-Y276 HydrophobicContact CG-CD2 4.08Å; Y165-Y276 HydrophobicContact CD2-CE1 4.03Å; Y165-Y276 AromaticContact CD2-CZ 3.93Å; L168-Y276 HydrophobicContact CD1-CD2 4.1Å; L168-Y276 HydrophobicContact CD1-CG 4.15Å; V272-Y276 WeakPolarHBondContact O-CB 3.34Å; V272-Y276 PolarHBondContact O-N 3.12Å; S274-Y276 PolarHBondContact O-N 2.9Å; Y276-E278 PolarHBondContact O-N 3.24Å; Y276-F279 PolarHBondContact O-N 2.89Å; Y276-L280 HydrophobicContact CD1-CD1 3.61Å; Y276-L280 HydrophobicContact CD2-CD1 4.41Å; Y276-L280 HydrophobicContact CE1-CD1 3.54Å; Y276-L280 HydrophobicContact CE1-CD2 4.46Å; Y276-L280 HydrophobicContact CE1-CG 4.35Å; Y276-L280 HydrophobicContact CE2-CD1 4.3Å; Y276-L280 HydrophobicContact CE2-CD2 4.21Å; Y276-L280 HydrophobicContact CE2-CG 4.28Å; Y276-L280 HydrophobicContact CG-CD1 4.07Å; Y276-L280 WeakPolarHBondContact O-CG 3.28Å; Y276-H288 HydrophobicContact CE1-CB 3.87Å; Y276-L289 HydrophobicContact CD1-CD2 3.75Å; Y276-L289 HydrophobicContact CD1-CG 4.43Å; Y276-L289 HydrophobicContact CG-CD2 4.45Å; Y276-L292 HydrophobicContact CD1-CB 4.41Å; Y276-L292 HydrophobicContact CD1-CD2 3.62Å; Y276-L292 HydrophobicContact CD1-CG 4.48Å; Y276-L292 HydrophobicContact CE1-CB 4.42Å; Y276-L292 HydrophobicContact CE1-CD2 4.36Å; Y276-L292 HydrophobicContact CG-CD2 4.09Å
277	S	91.9	Very high	89	Confident	1 Å²	1	19.9 Å²	19.9	1%	0.007	10%	0.097	C	C	.	.	H	α-helix	trans	-62.3	-27.6	179.9	74.3	0	0	0	0	113.6	F273 S274 Y275 F279 L280 V669 R677	F273-S277 VanDerWaalsContact O-CB 3.26Å; F273-S277 WeakPolarHBondContact O-CB 3.3Å; F273-S277 PolarHBondContact O-N 3.42Å; F273-S277 PolarHBondContact O-OG 3.01Å; S274-S277 PolarHBondContact O-N 2.6Å; S274-S277 PolarHBondContact O-OG 2.72Å; Y275-S277 PolarHBondContact O-N 3.31Å; S277-F279 VanDerWaalsContact C-N 3.28Å; S277-F279 PolarHBondContact O-N 3.29Å; S277-L280 PolarHBondContact O-N 3.07Å; S277-V669 VanDerWaalsContact CB-CG1 3.42Å; S277-V669 VanDerWaalsContact OG-CG1 3.27Å; S277-V669 WeakPolarHBondContact OG-CG1 3.4Å; S277-R677 PolarHBondContact OG-NH1 3.13Å
278	E	91.3	Very high	89.2	Confident	1 Å²	1	20.4 Å²	20.4	1%	0.005	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-15.7	-179.6	-72.3	171	-154.2	0	0	113.1	Y148 R227 S274 Y275 Y276 S353 R355 R677	Y148-E278 PolarHBondContact OH-O 3.5Å; R227-E278 IonicContact CZ-OE1 2.68Å; R227-E278 IonicContact CZ-OE2 2.97Å; R227-E278 IonicContact NE-OE1 3.92Å; R227-E278 IonicContact NH1-OE1 3.31Å; R227-E278 IonicContact NH1-OE2 3.62Å; R227-E278 PolarHBondContact NH1-OE2 3.4Å; S274-E278 WeakPolarHBondContact O-CG 3.41Å; S274-E278 PolarHBondContact O-N 2.97Å; Y275-E278 PolarHBondContact O-N 2.95Å; Y276-E278 PolarHBondContact O-N 3.24Å; E278-S353 WeakPolarHBondContact OE2-CB 3.27Å; E278-S353 PolarHBondContact OE2-OG 3.18Å; E278-R355 HydrophobicContact CB-CB 4.36Å; E278-R355 HydrophobicContact CG-CB 4.24Å; E278-R677 IonicContact OE1-NH1 3.2Å
279	F	91.4	Very high	89.1	Confident	1 Å²	1	20.4 Å²	20.4	0%	0.004	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.2	2.3	175.4	-70.7	-86.5	0	0	0	113.9	F160 L164 Y275 Y276 S277 P354 I369 V373	F160-F279 HydrophobicContact CD1-CD1 4.42Å; F160-F279 AromaticContact CE1-CD1 3.63Å; F160-F279 HydrophobicContact CE1-CD1 3.63Å; F160-F279 AromaticContact CE1-CE1 3.71Å; F160-F279 HydrophobicContact CE1-CE1 3.71Å; F160-F279 HydrophobicContact CE1-CG 4.29Å; F160-F279 HydrophobicContact CE1-CZ 4.44Å; F160-F279 HydrophobicContact CZ-CD1 4.43Å; F160-F279 HydrophobicContact CZ-CE1 4.06Å; L164-F279 HydrophobicContact CD2-CB 3.87Å; L164-F279 HydrophobicContact CD2-CD2 3.45Å; L164-F279 VanDerWaalsContact CD2-CD2 3.45Å; L164-F279 HydrophobicContact CD2-CE2 4.06Å; L164-F279 HydrophobicContact CD2-CG 3.7Å; Y275-F279 AromaticContact CD2-CE2 3.95Å; Y275-F279 HydrophobicContact CD2-CE2 3.95Å; Y275-F279 HydrophobicContact CE2-CD2 4.47Å; Y275-F279 AromaticContact CE2-CE2 3.52Å; Y275-F279 HydrophobicContact CE2-CE2 3.52Å; Y275-F279 HydrophobicContact CE2-CZ 4.25Å; Y275-F279 WeakPolarHBondContact O-CD2 3.42Å; Y276-F279 PolarHBondContact O-N 2.89Å; S277-F279 VanDerWaalsContact C-N 3.28Å; S277-F279 PolarHBondContact O-N 3.29Å; F279-P354 VanDerWaalsContact CE1-CD 3.44Å; F279-P354 HydrophobicContact CE1-CG 3.99Å; F279-P354 HydrophobicContact CZ-CG 4.28Å; F279-I369 HydrophobicContact CE1-CG2 4.14Å; F279-I369 HydrophobicContact CZ-CG2 4.49Å; F279-V373 HydrophobicContact CD1-CG2 4.14Å; F279-V373 HydrophobicContact CE1-CG2 4.04Å
280	L	90.1	Very high	89	Confident	2 Å²	2	19.6 Å²	19.6	1%	0.01	10%	0.095	C	C	.	.	S	Bend	trans	-107.6	130.6	-176.9	-71	172.5	0	0	0	111.2	Y276 S277 R285 H288 L289	Y276-L280 HydrophobicContact CD1-CD1 3.61Å; Y276-L280 HydrophobicContact CD2-CD1 4.41Å; Y276-L280 HydrophobicContact CE1-CD1 3.54Å; Y276-L280 HydrophobicContact CE1-CD2 4.46Å; Y276-L280 HydrophobicContact CE1-CG 4.35Å; Y276-L280 HydrophobicContact CE2-CD1 4.3Å; Y276-L280 HydrophobicContact CE2-CD2 4.21Å; Y276-L280 HydrophobicContact CE2-CG 4.28Å; Y276-L280 HydrophobicContact CG-CD1 4.07Å; Y276-L280 WeakPolarHBondContact O-CG 3.28Å; S277-L280 PolarHBondContact O-N 3.07Å; L280-R285 HydrophobicContact CB-CB 4.17Å; L280-R285 HydrophobicContact CB-CG 4.07Å; L280-R285 HydrophobicContact CD1-CG 4.23Å; L280-H288 HydrophobicContact CD1-CB 3.84Å; L280-H288 HydrophobicContact CD2-CB 4.05Å; L280-L289 HydrophobicContact CD1-CD2 4.48Å; L280-L289 HydrophobicContact CD1-CG 4.17Å
281	A	84.4	Confident	88.9	Confident	32 Å²	32	22.5 Å²	22.5	26%	0.264	11%	0.106	S	C	.	.			trans	-66.1	149	168.2	0	0	0	0	0	111.2	E149 E283 K284 R285	E149-A281 WeakPolarHBondContact OE1-CA 3.28Å; A281-E283 VanDerWaalsContact C-N 3.27Å; A281-E283 PolarHBondContact O-N 2.94Å; A281-E283 VanDerWaalsContact O-N 3.15Å; A281-K284 PolarHBondContact O-N 3.14Å; A281-R285 WeakPolarHBondContact O-CB 3.27Å; A281-R285 PolarHBondContact O-N 3.2Å
282	Q	77.1	Confident	88.8	Confident	35 Å²	35	22.5 Å²	22.5	16%	0.164	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.5	-38.8	-173.1	-179.4	-176.6	-60.8	0	0	114.2	E149 K284 G733 Q734 V735	E149-Q282 VanDerWaalsContact OE1-CB 3.25Å; E149-Q282 WeakPolarHBondContact OE1-CB 3.11Å; E149-Q282 PolarHBondContact OE1-N 3.29Å; Q282-K284 PolarHBondContact O-N 2.7Å; Q282-G733 VanDerWaalsContact CD-C 3.49Å; Q282-G733 VanDerWaalsContact NE2-CA 3.33Å; Q282-G733 PolarHBondContact NE2-O 2.86Å; Q282-Q734 PolarHBondContact OE1-O 3.46Å; Q282-V735 VanDerWaalsContact OE1-CA 3.27Å
283	E	74.8	Confident	88.5	Confident	151 Å²	151	22.8 Å²	22.8	71%	0.706	11%	0.108	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65	-42.3	-172.2	-65.9	-171.1	161.7	0	0	113.4	A281	A281-E283 VanDerWaalsContact C-N 3.27Å; A281-E283 PolarHBondContact O-N 2.94Å; A281-E283 VanDerWaalsContact O-N 3.15Å
284	K	78.8	Confident	88.4	Confident	107 Å²	107	24 Å²	24	47%	0.465	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.6	1.8	-174.6	-57.7	-171.4	177.7	-175.8	0	113.5	A281 Q282 G286 E287 H288	A281-K284 PolarHBondContact O-N 3.14Å; Q282-K284 PolarHBondContact O-N 2.7Å; K284-G286 VanDerWaalsContact C-N 3.34Å; K284-G286 PolarHBondContact O-N 3.44Å; K284-E287 PolarHBondContact O-N 3.44Å; K284-H288 PolarHBondContact O-CD2 3.22Å; K284-H288 PolarHBondContact O-N 2.85Å; K284-H288 VanDerWaalsContact O-N 3.07Å
285	R	86.4	Confident	88.4	Confident	2 Å²	2	25 Å²	25	1%	0.008	12%	0.119	C	C	.	.	H	α-helix	trans	-57.4	-46.5	-173.9	-176	177.9	66.6	-139.2	5.1	112.1	L280 A281 H288 L289 E670 Q734	L280-R285 HydrophobicContact CB-CB 4.17Å; L280-R285 HydrophobicContact CB-CG 4.07Å; L280-R285 HydrophobicContact CD1-CG 4.23Å; A281-R285 WeakPolarHBondContact O-CB 3.27Å; A281-R285 PolarHBondContact O-N 3.2Å; R285-H288 PolarHBondContact O-N 3.11Å; R285-L289 HydrophobicContact CG-CD1 3.65Å; R285-L289 HydrophobicContact CG-CG 4.34Å; R285-L289 WeakPolarHBondContact O-CB 3.28Å; R285-L289 VanDerWaalsContact O-CG 3.26Å; R285-L289 WeakPolarHBondContact O-CG 3.26Å; R285-L289 PolarHBondContact O-N 2.89Å; R285-E670 IonicContact CZ-OE1 3.93Å; R285-E670 IonicContact NE-OE1 3.38Å; R285-E670 PolarHBondContact NE-OE1 2.89Å; R285-E670 IonicContact NH2-OE1 3.98Å; R285-E670 PolarHBondContact NH2-OE1 3.31Å; R285-E670 IonicContact NH2-OE2 3.65Å; R285-Q734 PolarHBondContact NH2-O 3.39Å
286	G	82.6	Confident	88.3	Confident	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-64.2	-48.2	-177.6	0	0	0	0	0	113.2	K284 S290	K284-G286 VanDerWaalsContact C-N 3.34Å; K284-G286 PolarHBondContact O-N 3.44Å; G286-S290 PolarHBondContact O-N 3.17Å
287	E	85.6	Confident	88.1	Confident	65 Å²	65	26.7 Å²	26.7	30%	0.304	13%	0.125	S	C	.	.	H	α-helix	trans	-57.2	-52.4	174.4	169.7	173.8	-169.2	0	0	111.5	K284 L289 S290 W291 D615	K284-E287 PolarHBondContact O-N 3.44Å; E287-L289 PolarHBondContact O-N 3.35Å; E287-S290 PolarHBondContact O-N 3.08Å; E287-S290 VanDerWaalsContact O-N 3.17Å; E287-W291 VanDerWaalsContact CG-CD1 3.5Å; E287-W291 PolarHBondContact O-N 2.99Å; E287-W291 PolarHBondContact OE1-NE1 3.41Å; E287-D615 WeakPolarHBondContact CB-OD2 3.28Å; E287-D615 PolarHBondContact N-OD1 3.26Å; E287-D615 VanDerWaalsContact N-OD1 3.12Å
288	H	90.5	Very high	88.1	Confident	11 Å²	11	29.6 Å²	29.6	5%	0.051	14%	0.14	C	C	.	.	H	α-helix	trans	-65.4	-38.7	-176.5	-77.8	-67.4	0	0	0	113.2	H157 Y276 L280 K284 R285 S290 W291 L292	H157-H288 AromaticContact CE1-CD2 3.78Å; H157-H288 AromaticContact CE1-CE1 3.37Å; H157-H288 PolarHBondContact CE1-CE1 2.96Å; H157-H288 AromaticContact CE1-ND1 3.96Å; H157-H288 AromaticContact CE1-NE2 3.24Å; H157-H288 PolarHBondContact CE1-NE2 3.14Å; H157-H288 AromaticContact ND1-NE2 3.8Å; H157-H288 AromaticContact NE2-CE1 3.35Å; H157-H288 PolarHBondContact NE2-CE1 3.07Å; H157-H288 VanDerWaalsContact NE2-CE1 3.35Å; H157-H288 AromaticContact NE2-NE2 3.46Å; H157-H288 PolarHBondContact NE2-NE2 3.11Å; Y276-H288 HydrophobicContact CE1-CB 3.87Å; L280-H288 HydrophobicContact CD1-CB 3.84Å; L280-H288 HydrophobicContact CD2-CB 4.05Å; K284-H288 PolarHBondContact O-CD2 3.22Å; K284-H288 PolarHBondContact O-N 2.85Å; K284-H288 VanDerWaalsContact O-N 3.07Å; R285-H288 PolarHBondContact O-N 3.11Å; H288-S290 VanDerWaalsContact C-N 3.34Å; H288-W291 PolarHBondContact O-N 3.37Å; H288-L292 PolarHBondContact O-N 2.85Å
289	L	91.4	Very high	88.2	Confident	0 Å²	0	29.6 Å²	29.6	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-65.9	-37.2	174.2	-71.7	167.7	0	0	0	111.4	F273 Y276 L280 R285 E287 L292 C293 V666	F273-L289 HydrophobicContact CD1-CD2 3.95Å; Y276-L289 HydrophobicContact CD1-CD2 3.75Å; Y276-L289 HydrophobicContact CD1-CG 4.43Å; Y276-L289 HydrophobicContact CG-CD2 4.45Å; L280-L289 HydrophobicContact CD1-CD2 4.48Å; L280-L289 HydrophobicContact CD1-CG 4.17Å; R285-L289 HydrophobicContact CG-CD1 3.65Å; R285-L289 HydrophobicContact CG-CG 4.34Å; R285-L289 WeakPolarHBondContact O-CB 3.28Å; R285-L289 VanDerWaalsContact O-CG 3.26Å; R285-L289 WeakPolarHBondContact O-CG 3.26Å; R285-L289 PolarHBondContact O-N 2.89Å; E287-L289 PolarHBondContact O-N 3.35Å; L289-L292 WeakPolarHBondContact O-CB 3.25Å; L289-L292 PolarHBondContact O-N 3.31Å; L289-C293 PolarHBondContact O-N 3.42Å; L289-C293 PolarHBondContact O-SG 2.84Å; L289-C293 VanDerWaalsContact O-SG 3.42Å; L289-V666 HydrophobicContact CB-CG2 3.64Å; L289-V666 HydrophobicContact CD1-CG1 4.13Å; L289-V666 HydrophobicContact CD1-CG2 4.41Å
290	S	89.8	Confident	88.2	Confident	0 Å²	0	29.5 Å²	29.5	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-69.7	-34.4	175.2	-175.8	0	0	0	0	112.7	G286 E287 H288 L292 C293 S610 A611	G286-S290 PolarHBondContact O-N 3.17Å; E287-S290 PolarHBondContact O-N 3.08Å; E287-S290 VanDerWaalsContact O-N 3.17Å; H288-S290 VanDerWaalsContact C-N 3.34Å; S290-L292 PolarHBondContact O-N 2.95Å; S290-C293 WeakPolarHBondContact O-CB 3.45Å; S290-C293 PolarHBondContact O-N 3.37Å; S290-S610 PolarHBondContact OG-OG 3.3Å; S290-A611 VanDerWaalsContact OG-CA 3.27Å; S290-A611 WeakPolarHBondContact OG-CA 3.45Å; S290-A611 PolarHBondContact OG-N 2.87Å
291	W	91.9	Very high	88.3	Confident	62 Å²	62	31 Å²	31	24%	0.235	15%	0.147	C	C	.	.	H	α-helix	trans	-62.4	-36.5	171.1	-82.3	112.3	0	0	0	111.1	Y165 E287 H288 C293 M294 A611 L612	Y165-W291 HydrophobicContact CE2-CB 3.83Å; Y165-W291 PolarHBondContact OH-O 3.31Å; E287-W291 VanDerWaalsContact CG-CD1 3.5Å; E287-W291 PolarHBondContact O-N 2.99Å; E287-W291 PolarHBondContact OE1-NE1 3.41Å; H288-W291 PolarHBondContact O-N 3.37Å; W291-C293 VanDerWaalsContact C-N 3.29Å; W291-C293 PolarHBondContact O-N 3.34Å; W291-M294 HydrophobicContact CD2-SD 4.41Å; W291-M294 HydrophobicContact CE3-CE 4.32Å; W291-M294 HydrophobicContact CE3-SD 3.23Å; W291-M294 HydrophobicContact CH2-SD 4.43Å; W291-M294 HydrophobicContact CZ3-CE 4Å; W291-M294 HydrophobicContact CZ3-SD 3.25Å; W291-M294 WeakPolarHBondContact CZ3-SD 3.5Å; W291-M294 VanDerWaalsContact O-CB 3.25Å; W291-M294 WeakPolarHBondContact O-CB 3.49Å; W291-M294 PolarHBondContact O-N 3.39Å; W291-A611 HydrophobicContact CD2-CB 3.81Å; W291-A611 HydrophobicContact CE3-CB 4.37Å; W291-A611 HydrophobicContact CG-CB 3.99Å; W291-A611 HydrophobicContact CZ2-CB 4.22Å; W291-L612 HydrophobicContact CZ2-CD2 4.04Å; W291-L612 HydrophobicContact CZ2-CG 4.47Å
292	L	93.4	Very high	88.7	Confident	0 Å²	0	32 Å²	32	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-62.7	-36	-179.2	-176.4	66.3	0	0	0	111.8	Y165 L168 L172 V272 Y276 H288 L289 S290 M294 F295	Y165-L292 HydrophobicContact CD2-CB 4.31Å; Y165-L292 HydrophobicContact CD2-CD1 4.06Å; Y165-L292 HydrophobicContact CE2-CB 4.08Å; Y165-L292 HydrophobicContact CE2-CD1 4.29Å; L168-L292 HydrophobicContact CB-CD1 4.18Å; L172-L292 HydrophobicContact CD1-CD1 4.01Å; L172-L292 HydrophobicContact CD1-CD2 4.05Å; L172-L292 HydrophobicContact CD1-CG 3.54Å; V272-L292 HydrophobicContact CG1-CD2 3.71Å; V272-L292 HydrophobicContact CG1-CG 4.5Å; Y276-L292 HydrophobicContact CD1-CB 4.41Å; Y276-L292 HydrophobicContact CD1-CD2 3.62Å; Y276-L292 HydrophobicContact CD1-CG 4.48Å; Y276-L292 HydrophobicContact CE1-CB 4.42Å; Y276-L292 HydrophobicContact CE1-CD2 4.36Å; Y276-L292 HydrophobicContact CG-CD2 4.09Å; H288-L292 PolarHBondContact O-N 2.85Å; L289-L292 WeakPolarHBondContact O-CB 3.25Å; L289-L292 PolarHBondContact O-N 3.31Å; S290-L292 PolarHBondContact O-N 2.95Å; L292-M294 PolarHBondContact O-N 2.88Å; L292-M294 VanDerWaalsContact O-N 3.09Å; L292-F295 HydrophobicContact CD1-CD2 4.43Å; L292-F295 PolarHBondContact O-N 3.28Å; L292-F295 VanDerWaalsContact O-N 3.16Å
293	C	90.3	Very high	89.4	Confident	6 Å²	6	30.3 Å²	30.3	4%	0.041	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-25.2	173.6	-57.2	0	0	0	0	113.6	F273 L289 S290 W291 F295 W296 N662	F273-C293 WeakPolarHBondContact CZ-SG 3.3Å; L289-C293 PolarHBondContact O-N 3.42Å; L289-C293 PolarHBondContact O-SG 2.84Å; L289-C293 VanDerWaalsContact O-SG 3.42Å; S290-C293 WeakPolarHBondContact O-CB 3.45Å; S290-C293 PolarHBondContact O-N 3.37Å; W291-C293 VanDerWaalsContact C-N 3.29Å; W291-C293 PolarHBondContact O-N 3.34Å; C293-F295 PolarHBondContact O-N 3.36Å; C293-W296 WeakPolarHBondContact O-CB 3.4Å; C293-W296 PolarHBondContact O-N 2.64Å; C293-N662 HydrophobicContact CB-CB 4.38Å; C293-N662 WeakPolarHBondContact CB-OD1 3.36Å
294	M	91.6	Very high	90	Very high	28 Å²	28	23.1 Å²	23.1	14%	0.138	10%	0.103	C	C	.	.	H	α-helix	trans	-62	-30.7	179.7	-74	-175.2	46.8	0	0	113	W291 L292 W296 M297 I298 N607 I608	W291-M294 HydrophobicContact CD2-SD 4.41Å; W291-M294 HydrophobicContact CE3-CE 4.32Å; W291-M294 HydrophobicContact CE3-SD 3.23Å; W291-M294 HydrophobicContact CH2-SD 4.43Å; W291-M294 HydrophobicContact CZ3-CE 4Å; W291-M294 HydrophobicContact CZ3-SD 3.25Å; W291-M294 WeakPolarHBondContact CZ3-SD 3.5Å; W291-M294 VanDerWaalsContact O-CB 3.25Å; W291-M294 WeakPolarHBondContact O-CB 3.49Å; W291-M294 PolarHBondContact O-N 3.39Å; L292-M294 PolarHBondContact O-N 2.88Å; L292-M294 VanDerWaalsContact O-N 3.09Å; M294-W296 PolarHBondContact O-N 3.48Å; M294-M297 PolarHBondContact O-N 2.86Å; M294-M297 VanDerWaalsContact O-N 3.14Å; M294-I298 WeakPolarHBondContact O-CG1 3.23Å; M294-I298 PolarHBondContact O-N 3.01Å; M294-N607 HydrophobicContact CG-CB 3.69Å; M294-I608 HydrophobicContact CE-CG1 4.13Å; M294-I608 HydrophobicContact SD-CG1 4.04Å
295	F	94.1	Very high	90.5	Very high	21 Å²	21	19.3 Å²	19.3	9%	0.092	9%	0.091	C	C	.	.	H	α-helix	trans	-64	-30.2	179.8	-79.9	-85.9	0	0	0	113.4	Y165 F166 G169 L172 M173 L292 C293 M297 I298 G299	Y165-F295 HydrophobicContact CD1-CE2 4.2Å; Y165-F295 AromaticContact CE1-CE2 3.53Å; Y165-F295 HydrophobicContact CE1-CE2 3.53Å; Y165-F295 HydrophobicContact CE1-CZ 4.05Å; Y165-F295 HydrophobicContact CE2-CE2 4.16Å; Y165-F295 AromaticContact CZ-CE2 3.5Å; F166-F295 HydrophobicContact CD1-CE1 4.4Å; F166-F295 AromaticContact CD1-CZ 3.69Å; F166-F295 HydrophobicContact CD1-CZ 3.69Å; F166-F295 HydrophobicContact CE1-CZ 4.05Å; G169-F295 VanDerWaalsContact CA-CD2 3.43Å; G169-F295 WeakPolarHBondContact O-CB 3.47Å; G169-F295 WeakPolarHBondContact O-CG 3.17Å; L172-F295 HydrophobicContact CB-CB 4.21Å; M173-F295 WeakPolarHBondContact CA-O 3.38Å; L292-F295 HydrophobicContact CD1-CD2 4.43Å; L292-F295 PolarHBondContact O-N 3.28Å; L292-F295 VanDerWaalsContact O-N 3.16Å; C293-F295 PolarHBondContact O-N 3.36Å; F295-M297 VanDerWaalsContact C-N 3.33Å; F295-M297 PolarHBondContact O-N 3.49Å; F295-I298 HydrophobicContact CD1-CD1 4.2Å; F295-I298 HydrophobicContact CE1-CD1 4.48Å; F295-I298 HydrophobicContact CG-CD1 4.48Å; F295-I298 PolarHBondContact O-N 3.48Å; F295-G299 PolarHBondContact O-N 2.95Å
296	W	92.8	Very high	90.6	Very high	33 Å²	33	21.7 Å²	21.7	13%	0.125	10%	0.103	C	C	.	.	H	α-helix	trans	-60.8	-44.8	174	-170.5	85.1	0	0	0	111.3	D175 I179 F180 C293 M294 G299 G300	D175-W296 PolarHBondContact OD2-NE1 3.33Å; I179-W296 HydrophobicContact CD1-CZ2 3.76Å; I179-W296 HydrophobicContact CG2-CZ2 4.48Å; F180-W296 HydrophobicContact CE2-CE3 4.45Å; F180-W296 AromaticContact CE2-CH2 3.58Å; F180-W296 HydrophobicContact CE2-CH2 3.58Å; F180-W296 HydrophobicContact CE2-CZ2 4.02Å; F180-W296 AromaticContact CE2-CZ3 3.84Å; F180-W296 HydrophobicContact CE2-CZ3 3.84Å; F180-W296 AromaticContact CZ-CH2 3.74Å; F180-W296 HydrophobicContact CZ-CH2 3.74Å; F180-W296 AromaticContact CZ-CZ3 4Å; F180-W296 HydrophobicContact CZ-CZ3 4Å; C293-W296 WeakPolarHBondContact O-CB 3.4Å; C293-W296 PolarHBondContact O-N 2.64Å; M294-W296 PolarHBondContact O-N 3.48Å; W296-G299 WeakPolarHBondContact O-CA 3.27Å; W296-G299 PolarHBondContact O-N 3.39Å; W296-G299 VanDerWaalsContact O-N 3.16Å; W296-G300 PolarHBondContact O-N 3.48Å
297	M	90.6	Very high	90.7	Very high	2 Å²	2	21.7 Å²	21.7	1%	0.01	10%	0.103	C	C	.	.	H	α-helix	trans	-69.1	-36.2	175.1	-68	-54.6	-45.5	0	0	112.8	M294 F295 G299 G300 I301 T600 V603 L604 N607 I658	M294-M297 PolarHBondContact O-N 2.86Å; M294-M297 VanDerWaalsContact O-N 3.14Å; F295-M297 VanDerWaalsContact C-N 3.33Å; F295-M297 PolarHBondContact O-N 3.49Å; M297-G299 PolarHBondContact O-N 3.2Å; M297-G300 PolarHBondContact O-N 2.91Å; M297-G300 VanDerWaalsContact O-N 3.11Å; M297-I301 WeakPolarHBondContact O-CG1 3.5Å; M297-I301 PolarHBondContact O-N 3.27Å; M297-T600 WeakPolarHBondContact CE-O 3.27Å; M297-V603 HydrophobicContact CE-CB 3.62Å; M297-V603 HydrophobicContact CE-CG1 3.84Å; M297-V603 HydrophobicContact CE-CG2 4.16Å; M297-V603 HydrophobicContact CG-CG1 4.28Å; M297-V603 HydrophobicContact SD-CB 4.18Å; M297-V603 HydrophobicContact SD-CG1 3.69Å; M297-L604 HydrophobicContact CB-CD2 3.88Å; M297-N607 WeakPolarHBondContact CG-ND2 3.48Å; M297-I658 HydrophobicContact SD-CD1 4.36Å
298	I	92.4	Very high	90.6	Very high	63 Å²	63	23.2 Å²	23.2	32%	0.323	11%	0.106	S	C	.	.	H	α-helix	trans	-59.2	-36.2	172	-66.5	168.5	0	0	0	110	M173 M294 F295 I301 Y302	M173-I298 HydrophobicContact SD-CG2 4.35Å; M294-I298 WeakPolarHBondContact O-CG1 3.23Å; M294-I298 PolarHBondContact O-N 3.01Å; F295-I298 HydrophobicContact CD1-CD1 4.2Å; F295-I298 HydrophobicContact CE1-CD1 4.48Å; F295-I298 HydrophobicContact CG-CD1 4.48Å; F295-I298 PolarHBondContact O-N 3.48Å; I298-I301 PolarHBondContact O-N 2.89Å; I298-Y302 WeakPolarHBondContact O-CB 3.49Å; I298-Y302 PolarHBondContact O-N 3.48Å
299	G	93.4	Very high	90.3	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-59.2	-47.1	171.2	0	0	0	0	0	113	M173 V177 F295 W296 M297 I301 Y302 A303	M173-G299 WeakPolarHBondContact O-CA 3.15Å; V177-G299 VanDerWaalsContact CG2-O 3.27Å; V177-G299 WeakPolarHBondContact CG2-O 3.37Å; F295-G299 PolarHBondContact O-N 2.95Å; W296-G299 WeakPolarHBondContact O-CA 3.27Å; W296-G299 PolarHBondContact O-N 3.39Å; W296-G299 VanDerWaalsContact O-N 3.16Å; M297-G299 PolarHBondContact O-N 3.2Å; G299-I301 PolarHBondContact O-N 3.21Å; G299-Y302 PolarHBondContact O-N 3.41Å; G299-A303 WeakPolarHBondContact O-CB 3.44Å; G299-A303 PolarHBondContact O-N 2.73Å
300	G	90.3	Very high	90	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-62.9	-38.1	175	0	0	0	0	0	113.9	W296 M297 A303 S304	W296-G300 PolarHBondContact O-N 3.48Å; M297-G300 PolarHBondContact O-N 2.91Å; M297-G300 VanDerWaalsContact O-N 3.11Å; G300-A303 PolarHBondContact O-N 3.41Å; G300-S304 WeakPolarHBondContact O-CB 3.43Å; G300-S304 PolarHBondContact O-N 3.25Å; G300-S304 PolarHBondContact O-OG 2.9Å
301	I	91.2	Very high	89.4	Confident	32 Å²	32	26.1 Å²	26.1	16%	0.164	13%	0.127	C	C	.	.	H	α-helix	trans	-66.7	-41.9	175	-68.4	170.3	0	0	0	110.7	M297 I298 G299 S304 A305 F597 L601 L604	M297-I301 WeakPolarHBondContact O-CG1 3.5Å; M297-I301 PolarHBondContact O-N 3.27Å; I298-I301 PolarHBondContact O-N 2.89Å; G299-I301 PolarHBondContact O-N 3.21Å; I301-S304 WeakPolarHBondContact CA-OG 3.38Å; I301-S304 PolarHBondContact O-OG 2.87Å; I301-A305 WeakPolarHBondContact O-CB 3.01Å; I301-A305 PolarHBondContact O-N 3.33Å; I301-F597 HydrophobicContact CG2-CE2 3.82Å; I301-L601 HydrophobicContact CD1-CD1 4.22Å; I301-L604 HydrophobicContact CD1-CD1 3.47Å; I301-L604 VanDerWaalsContact CD1-CD1 3.47Å; I301-L604 HydrophobicContact CD1-CD2 4.04Å; I301-L604 HydrophobicContact CD1-CG 3.78Å
302	Y	93.2	Very high	88.2	Confident	54 Å²	54	24.7 Å²	24.7	21%	0.212	13%	0.126	C	C	.	.	H	α-helix	trans	-62.3	-48	174.5	173	-93.3	0	0	0	111.4	M173 V177 I298 G299 S304 A305 M306 V335 P339	M173-Y302 HydrophobicContact CE-CD1 3.98Å; M173-Y302 HydrophobicContact CE-CD2 3.73Å; M173-Y302 HydrophobicContact CE-CE2 4.41Å; M173-Y302 HydrophobicContact CE-CG 3.47Å; M173-Y302 VanDerWaalsContact CE-CG 3.47Å; V177-Y302 HydrophobicContact CG2-CD1 3.61Å; V177-Y302 HydrophobicContact CG2-CE1 4.32Å; V177-Y302 HydrophobicContact CG2-CG 4.5Å; I298-Y302 WeakPolarHBondContact O-CB 3.49Å; I298-Y302 PolarHBondContact O-N 3.48Å; G299-Y302 PolarHBondContact O-N 3.41Å; Y302-S304 PolarHBondContact O-N 2.89Å; Y302-A305 PolarHBondContact O-N 3.31Å; Y302-M306 HydrophobicContact CD1-CG 4.26Å; Y302-M306 HydrophobicContact CD2-CG 4.14Å; Y302-M306 HydrophobicContact CE1-CG 3.94Å; Y302-M306 HydrophobicContact CE2-CG 3.79Å; Y302-M306 HydrophobicContact CE2-SD 4.21Å; Y302-M306 HydrophobicContact CG-CG 4.37Å; Y302-M306 WeakPolarHBondContact O-CB 3.41Å; Y302-M306 VanDerWaalsContact O-CG 3.28Å; Y302-M306 WeakPolarHBondContact O-CG 3.2Å; Y302-M306 PolarHBondContact O-N 2.82Å; Y302-V335 WeakPolarHBondContact OH-CG1 3.32Å; Y302-V335 PolarHBondContact OH-O 3.39Å; Y302-P339 HydrophobicContact CD1-CG 4.17Å; Y302-P339 HydrophobicContact CE1-CG 3.69Å
303	A	91.7	Very high	87	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-60	-45.8	178.5	0	0	0	0	0	111.7	V177 F180 F184 G299 G300 M306 A307 F332	V177-A303 HydrophobicContact CG1-CB 4.4Å; V177-A303 HydrophobicContact CG2-CB 4.46Å; F180-A303 HydrophobicContact CB-CB 4Å; F184-A303 HydrophobicContact CD2-CB 4.38Å; F184-A303 HydrophobicContact CE2-CB 4.25Å; G299-A303 WeakPolarHBondContact O-CB 3.44Å; G299-A303 PolarHBondContact O-N 2.73Å; G300-A303 PolarHBondContact O-N 3.41Å; A303-M306 PolarHBondContact O-N 3.39Å; A303-A307 VanDerWaalsContact O-CB 3.25Å; A303-A307 WeakPolarHBondContact O-CB 3.41Å; A303-A307 PolarHBondContact O-N 3.29Å; A303-F332 VanDerWaalsContact O-CE2 3.22Å; A303-F332 WeakPolarHBondContact O-CE2 3.34Å
304	S	87.9	Confident	85.4	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-67.1	-39.6	177.8	54	0	0	0	0	112.9	F184 G300 I301 Y302 A307 W308 F597	F184-S304 VanDerWaalsContact CZ-CB 3.48Å; G300-S304 WeakPolarHBondContact O-CB 3.43Å; G300-S304 PolarHBondContact O-N 3.25Å; G300-S304 PolarHBondContact O-OG 2.9Å; I301-S304 WeakPolarHBondContact CA-OG 3.38Å; I301-S304 PolarHBondContact O-OG 2.87Å; Y302-S304 PolarHBondContact O-N 2.89Å; S304-A307 PolarHBondContact O-N 2.93Å; S304-W308 VanDerWaalsContact O-CB 3.28Å; S304-W308 WeakPolarHBondContact O-CB 3.15Å; S304-W308 PolarHBondContact O-N 3.1Å; S304-F597 WeakPolarHBondContact OG-CD2 3.4Å
305	A	88.6	Confident	83.6	Confident	26 Å²	26	38.9 Å²	38.9	22%	0.215	21%	0.207	C	C	.	.	H	α-helix	trans	-65	-41.5	175.3	0	0	0	0	0	112.4	I301 Y302 W308 A309	I301-A305 WeakPolarHBondContact O-CB 3.01Å; I301-A305 PolarHBondContact O-N 3.33Å; Y302-A305 PolarHBondContact O-N 3.31Å; A305-W308 PolarHBondContact O-N 2.99Å; A305-A309 VanDerWaalsContact O-CB 3.32Å; A305-A309 WeakPolarHBondContact O-CB 3.45Å; A305-A309 PolarHBondContact O-N 3.02Å
306	M	89.4	Confident	81.9	Confident	52 Å²	52	45.4 Å²	45.4	26%	0.256	23%	0.231	S	C	.	.	H	α-helix	trans	-70.9	-38	176.6	-67.8	-57.2	96.2	0	0	111.9	Y302 A303 W308 A309 I310 F332 V335	Y302-M306 HydrophobicContact CD1-CG 4.26Å; Y302-M306 HydrophobicContact CD2-CG 4.14Å; Y302-M306 HydrophobicContact CE1-CG 3.94Å; Y302-M306 HydrophobicContact CE2-CG 3.79Å; Y302-M306 HydrophobicContact CE2-SD 4.21Å; Y302-M306 HydrophobicContact CG-CG 4.37Å; Y302-M306 WeakPolarHBondContact O-CB 3.41Å; Y302-M306 VanDerWaalsContact O-CG 3.28Å; Y302-M306 WeakPolarHBondContact O-CG 3.2Å; Y302-M306 PolarHBondContact O-N 2.82Å; A303-M306 PolarHBondContact O-N 3.39Å; M306-W308 VanDerWaalsContact C-N 3.33Å; M306-W308 PolarHBondContact O-N 3.16Å; M306-A309 PolarHBondContact O-N 3.41Å; M306-I310 HydrophobicContact CB-CD1 4.37Å; M306-I310 WeakPolarHBondContact O-CB 3.49Å; M306-I310 WeakPolarHBondContact O-CG1 3.3Å; M306-I310 PolarHBondContact O-N 3.22Å; M306-F332 HydrophobicContact CB-CD2 4.01Å; M306-F332 HydrophobicContact CB-CE2 3.91Å; M306-V335 HydrophobicContact CB-CG1 4.49Å; M306-V335 HydrophobicContact CG-CG1 4.04Å; M306-V335 HydrophobicContact SD-CG1 3.99Å
307	A	85.6	Confident	80.4	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-59.7	-46.7	173.5	0	0	0	0	0	110.5	F184 A303 S304 A309 I311 P312 F332 Y593	F184-A307 HydrophobicContact CB-CB 3.85Å; F184-A307 HydrophobicContact CD1-CB 4.12Å; F184-A307 HydrophobicContact CD2-CB 4.12Å; F184-A307 HydrophobicContact CG-CB 3.76Å; A303-A307 VanDerWaalsContact O-CB 3.25Å; A303-A307 WeakPolarHBondContact O-CB 3.41Å; A303-A307 PolarHBondContact O-N 3.29Å; S304-A307 PolarHBondContact O-N 2.93Å; A307-A309 PolarHBondContact O-N 2.78Å; A307-I311 HydrophobicContact CB-CD1 3.83Å; A307-I311 VanDerWaalsContact O-CB 3.32Å; A307-I311 WeakPolarHBondContact O-CB 3.48Å; A307-I311 WeakPolarHBondContact O-CG1 3.21Å; A307-I311 PolarHBondContact O-N 3.15Å; A307-P312 WeakPolarHBondContact O-CD 3.5Å; A307-F332 HydrophobicContact CB-CD2 4.16Å; A307-F332 HydrophobicContact CB-CE1 4.45Å; A307-F332 HydrophobicContact CB-CE2 3.68Å; A307-F332 HydrophobicContact CB-CZ 3.83Å; A307-F332 VanDerWaalsContact N-CE2 3.27Å; A307-Y593 HydrophobicContact CB-CD1 4.24Å
308	W	83.5	Confident	79.2	Confident	98 Å²	98	52.5 Å²	52.5	37%	0.371	27%	0.27	S	S	.	.	H	α-helix	trans	-62.7	-38.6	176.5	175.2	66.8	0	0	0	113.3	S304 A305 M306 P312 Y590	S304-W308 VanDerWaalsContact O-CB 3.28Å; S304-W308 WeakPolarHBondContact O-CB 3.15Å; S304-W308 PolarHBondContact O-N 3.1Å; A305-W308 PolarHBondContact O-N 2.99Å; M306-W308 VanDerWaalsContact C-N 3.33Å; M306-W308 PolarHBondContact O-N 3.16Å; W308-P312 WeakPolarHBondContact O-CD 3.36Å; W308-P312 WeakPolarHBondContact O-CG 3.29Å; W308-Y590 AromaticContact CD1-CD2 3.89Å; W308-Y590 AromaticContact CD1-CE2 3.68Å; W308-Y590 AromaticContact CE2-CE2 3.75Å; W308-Y590 AromaticContact CE2-CZ 3.76Å; W308-Y590 HydrophobicContact CZ2-CE2 4.19Å; W308-Y590 AromaticContact CZ2-CZ 3.95Å; W308-Y590 WeakPolarHBondContact CZ2-OH 3.33Å; W308-Y590 AromaticContact NE1-CD2 3.59Å; W308-Y590 AromaticContact NE1-CE1 3.71Å; W308-Y590 AromaticContact NE1-CE2 2.92Å; W308-Y590 AromaticContact NE1-CZ 3.01Å; W308-Y590 PolarHBondContact NE1-OH 3.42Å
309	A	83.6	Confident	77.6	Confident	40 Å²	40	55.6 Å²	55.6	33%	0.331	28%	0.283	S	S	.	.	H	α-helix	trans	-79.5	-26.7	-178.5	0	0	0	0	0	114.4	A305 M306 A307 H313	A305-A309 VanDerWaalsContact O-CB 3.32Å; A305-A309 WeakPolarHBondContact O-CB 3.45Å; A305-A309 PolarHBondContact O-N 3.02Å; M306-A309 PolarHBondContact O-N 3.41Å; A307-A309 PolarHBondContact O-N 2.78Å; A309-H313 PolarHBondContact O-CD2 2.93Å
310	I	84.5	Confident	75.7	Confident	16 Å²	16	62 Å²	62	8%	0.082	32%	0.315	C	S	.	.	H	α-helix	trans	-106.8	-49.1	-171.2	-60.6	169.8	0	0	0	111.9	M306 H313 S328 V331 F332 V335	M306-I310 HydrophobicContact CB-CD1 4.37Å; M306-I310 WeakPolarHBondContact O-CB 3.49Å; M306-I310 WeakPolarHBondContact O-CG1 3.3Å; M306-I310 PolarHBondContact O-N 3.22Å; I310-H313 PolarHBondContact O-N 3.4Å; I310-S328 WeakPolarHBondContact CG2-O 3.44Å; I310-V331 HydrophobicContact CG2-CB 4.05Å; I310-V331 HydrophobicContact CG2-CG1 4.05Å; I310-F332 HydrophobicContact CB-CB 4.43Å; I310-F332 HydrophobicContact CG2-CB 4.24Å; I310-V335 HydrophobicContact CD1-CB 4Å; I310-V335 HydrophobicContact CD1-CG1 4.12Å; I310-V335 HydrophobicContact CD1-CG2 3.83Å
311	I	76.6	Confident	74.3	Confident	16 Å²	16	64.9 Å²	64.9	8%	0.082	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-44.3	-168.6	-57.1	174.3	0	0	0	112.7	F184 S188 A307 H313 F332 Y593	F184-I311 HydrophobicContact CB-CD1 4.48Å; S188-I311 WeakPolarHBondContact OG-CG2 3.4Å; A307-I311 HydrophobicContact CB-CD1 3.83Å; A307-I311 VanDerWaalsContact O-CB 3.32Å; A307-I311 WeakPolarHBondContact O-CB 3.48Å; A307-I311 WeakPolarHBondContact O-CG1 3.21Å; A307-I311 PolarHBondContact O-N 3.15Å; I311-H313 VanDerWaalsContact C-N 3.26Å; I311-H313 PolarHBondContact O-N 3.37Å; I311-F332 HydrophobicContact CD1-CB 4.49Å; I311-F332 HydrophobicContact CD1-CD1 4.06Å; I311-F332 HydrophobicContact CD1-CG 4.17Å; I311-F332 HydrophobicContact CG1-CB 4.09Å; I311-F332 HydrophobicContact CG1-CG 4.26Å; I311-Y593 HydrophobicContact CB-CE2 4.26Å; I311-Y593 HydrophobicContact CD1-CE1 4.12Å; I311-Y593 HydrophobicContact CG2-CE2 4Å
312	P	68.5	Low	72.7	Confident	31 Å²	31	69.3 Å²	69.3	20%	0.201	38%	0.379	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-19.8	-178.9	-20	34.1	0	0	0	114	A307 W308 Y314 Y590 Y593	A307-P312 WeakPolarHBondContact O-CD 3.5Å; W308-P312 WeakPolarHBondContact O-CD 3.36Å; W308-P312 WeakPolarHBondContact O-CG 3.29Å; P312-Y314 PolarHBondContact O-N 2.97Å; P312-Y590 HydrophobicContact CB-CD2 4.36Å; P312-Y590 HydrophobicContact CG-CD2 4.26Å; P312-Y593 HydrophobicContact CG-CD2 4.32Å
313	H	68.2	Low	71	Confident	108 Å²	108	70.7 Å²	70.7	50%	0.5	40%	0.401	S	S	.	.			trans	-92.6	104.2	-177	-68.3	-74.6	0	0	0	110.4	A309 I310 I311 G315 S328	A309-H313 PolarHBondContact O-CD2 2.93Å; I310-H313 PolarHBondContact O-N 3.4Å; I311-H313 VanDerWaalsContact C-N 3.26Å; I311-H313 PolarHBondContact O-N 3.37Å; H313-G315 PolarHBondContact O-N 2.82Å; H313-G315 VanDerWaalsContact O-N 3.13Å; H313-S328 PolarHBondContact O-OG 3.08Å
314	Y	56.4	Low	70	Confident	144 Å²	144	74.1 Å²	74.1	57%	0.565	42%	0.415	S	S	*	.	G	3₁₀ helix	trans	-67.7	-7.4	-177.7	-82.7	-88	0	0	0	115.5	P312 W316 S317 E586	P312-Y314 PolarHBondContact O-N 2.97Å; Y314-W316 PolarHBondContact O-N 3.22Å; Y314-W316 VanDerWaalsContact O-N 3.14Å; Y314-S317 PolarHBondContact O-N 3.25Å; Y314-S317 PolarHBondContact O-OG 3.34Å; Y314-E586 HydrophobicContact CE2-CG 4.36Å
315	G	53	Low	69.1	Low	80 Å²	80	76.6 Å²	76.6	83%	0.825	43%	0.426	S	S	*	.	G	3₁₀ helix	trans	-68	-7.7	-179	0	0	0	0	0	115.5	H313	H313-G315 PolarHBondContact O-N 2.82Å; H313-G315 VanDerWaalsContact O-N 3.13Å
316	W	57.9	Low	68.6	Low	158 Å²	158	76.9 Å²	76.9	60%	0.598	42%	0.423	S	S	*	.	G	3₁₀ helix	trans	-101.3	7.3	-177.4	-62.9	84.8	0	0	0	113.9	Y314 V331	Y314-W316 PolarHBondContact O-N 3.22Å; Y314-W316 VanDerWaalsContact O-N 3.14Å; W316-V331 HydrophobicContact CB-CG2 4.32Å; W316-V331 HydrophobicContact CE3-CG1 4.26Å
317	S	62.8	Low	68.2	Low	55 Å²	55	76.4 Å²	76.4	39%	0.385	42%	0.42	S	S	.	.			trans	-87.1	128.9	176.3	61.8	0	0	0	0	111.3	Y314 F326	Y314-S317 PolarHBondContact O-N 3.25Å; Y314-S317 PolarHBondContact O-OG 3.34Å; S317-F326 CarbonylContact C-O 3.5Å; S317-F326 WeakPolarHBondContact CA-O 3.34Å
318	F	64.7	Low	68	Low	130 Å²	130	76.9 Å²	76.9	57%	0.57	42%	0.423	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.8	133.2	177.4	-174.5	-96	0	0	0	109.6	M320 F326	F318-M320 HydrophobicContact CD1-CB 4.35Å; F318-M320 HydrophobicContact CE1-CB 3.91Å; F318-M320 HydrophobicContact CE1-CG 4.38Å; F318-M320 HydrophobicContact CE1-SD 3.66Å; F318-M320 HydrophobicContact CZ-SD 4.12Å; F318-F326 PolarHBondContact N-O 3.46Å; F318-F326 VanDerWaalsContact O-CB 3.3Å; F318-F326 WeakPolarHBondContact O-CB 3.39Å; F318-F326 PolarHBondContact O-N 3.19Å
319	Q	59.4	Low	68	Low	127 Å²	127	72.6 Å²	72.6	59%	0.593	41%	0.407	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.4	119.1	178.4	-53.6	-172.8	-28.6	0	0	108.2
320	M	53.1	Low	68.3	Low	134 Å²	134	70.8 Å²	70.8	66%	0.66	39%	0.391	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107	89.1	176	-167	78.5	162.1	0	0	108	F318 Y324	F318-M320 HydrophobicContact CD1-CB 4.35Å; F318-M320 HydrophobicContact CE1-CB 3.91Å; F318-M320 HydrophobicContact CE1-CG 4.38Å; F318-M320 HydrophobicContact CE1-SD 3.66Å; F318-M320 HydrophobicContact CZ-SD 4.12Å; M320-Y324 HydrophobicContact CB-CD1 4.49Å; M320-Y324 PolarHBondContact N-O 3.13Å
321	G	60.8	Low	68.4	Low	61 Å²	61	70.9 Å²	70.9	63%	0.629	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.2	-166.2	-175	0	0	0	0	0	114
322	S	56.5	Low	69.1	Low	125 Å²	125	70.1 Å²	70.1	87%	0.874	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82	-18.5	-176.6	52.7	0	0	0	0	114.4
323	A	57.9	Low	70.2	Confident	83 Å²	83	68.8 Å²	68.8	69%	0.686	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.6	-29.8	-173.8	0	0	0	0	0	113.9	Q249	Q249-A323 PolarHBondContact OE1-O 3.32Å
324	Y	70.1	Confident	71.3	Confident	72 Å²	72	65.7 Å²	65.7	28%	0.282	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	105	-172.9	-163.6	-86.8	0	0	0	112.8	F247 Q249 M320 F326	F247-Y324 WeakPolarHBondContact CA-OH 3.01Å; F247-Y324 PolarHBondContact O-OH 3.3Å; Q249-Y324 HydrophobicContact CG-CD2 4.32Å; Q249-Y324 HydrophobicContact CG-CE2 4.11Å; Q249-Y324 VanDerWaalsContact NE2-CA 3.26Å; Q249-Y324 VanDerWaalsContact NE2-CE2 3.27Å; M320-Y324 HydrophobicContact CB-CD1 4.49Å; M320-Y324 PolarHBondContact N-O 3.13Å; Y324-F326 HydrophobicContact CE1-CB 4.07Å; Y324-F326 AromaticContact CE1-CD2 3.88Å; Y324-F326 HydrophobicContact CE1-CD2 3.88Å; Y324-F326 HydrophobicContact CE1-CG 4.41Å
325	Q	69.5	Low	73	Confident	53 Å²	53	60 Å²	60	25%	0.248	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	118.2	177.3	-60.1	-67.3	-36.5	0	0	109.9	Q249	Q249-Q325 PolarHBondContact NE2-O 3.26Å
326	F	78.6	Confident	74.9	Confident	31 Å²	31	56.5 Å²	56.5	14%	0.136	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	99.5	176.4	-158.7	-102.2	0	0	0	110.2	F247 S317 F318 Y324 R330 V331	F247-F326 HydrophobicContact CD1-CE2 4.27Å; F247-F326 HydrophobicContact CE1-CE2 4.43Å; S317-F326 CarbonylContact C-O 3.5Å; S317-F326 WeakPolarHBondContact CA-O 3.34Å; F318-F326 PolarHBondContact N-O 3.46Å; F318-F326 VanDerWaalsContact O-CB 3.3Å; F318-F326 WeakPolarHBondContact O-CB 3.39Å; F318-F326 PolarHBondContact O-N 3.19Å; Y324-F326 HydrophobicContact CE1-CB 4.07Å; Y324-F326 AromaticContact CE1-CD2 3.88Å; Y324-F326 HydrophobicContact CE1-CD2 3.88Å; Y324-F326 HydrophobicContact CE1-CG 4.41Å; F326-R330 HydrophobicContact CD2-CB 4.12Å; F326-R330 HydrophobicContact CE1-CB 4.19Å; F326-R330 HydrophobicContact CE2-CB 3.71Å; F326-R330 HydrophobicContact CZ-CB 3.75Å; F326-V331 HydrophobicContact CD1-CG2 4.03Å; F326-V331 HydrophobicContact CE1-CG2 3.49Å; F326-V331 VanDerWaalsContact CE1-CG2 3.49Å
327	H	80.1	Confident	76.5	Confident	43 Å²	43	49.2 Å²	49.2	20%	0.199	28%	0.283	C	S	.	.			trans	-87.2	158.5	-178.6	-68.6	-72.2	0	0	0	113	D192 W329 R330	D192-H327 IonicContact OD1-CD2 3.91Å; D192-H327 PolarHBondContact OD1-CD2 3.3Å; D192-H327 IonicContact OD1-NE2 2.87Å; D192-H327 PolarHBondContact OD1-NE2 3.21Å; D192-H327 IonicContact OD2-CD2 3.22Å; D192-H327 PolarHBondContact OD2-CD2 2.82Å; D192-H327 VanDerWaalsContact OD2-CD2 3.28Å; H327-W329 PolarHBondContact O-N 3.28Å; H327-W329 VanDerWaalsContact O-N 3.08Å; H327-R330 WeakPolarHBondContact O-CB 3.35Å; H327-R330 PolarHBondContact O-N 2.8Å
328	S	82.3	Confident	78	Confident	9 Å²	9	52.5 Å²	52.5	6%	0.063	29%	0.291	C	S	.	.	H	α-helix	trans	-54.7	-30.7	-177.8	-51.4	0	0	0	0	114.2	I310 H313 R330 V331 F332	I310-S328 WeakPolarHBondContact CG2-O 3.44Å; H313-S328 PolarHBondContact O-OG 3.08Å; S328-R330 VanDerWaalsContact C-N 3.27Å; S328-R330 PolarHBondContact O-N 3.44Å; S328-V331 WeakPolarHBondContact O-CB 3.38Å; S328-V331 PolarHBondContact O-N 2.93Å; S328-F332 PolarHBondContact O-N 2.82Å
329	W	84.4	Confident	79.4	Confident	8 Å²	8	46.8 Å²	46.8	3%	0.03	27%	0.267	C	S	.	.	H	α-helix	trans	-67.3	-26.2	177.6	72.3	-97.3	0	0	0	113	V185 A189 D192 M193 F254 H327 F332 V333	V185-W329 HydrophobicContact CB-CE3 4.47Å; V185-W329 HydrophobicContact CG1-CD2 4.25Å; V185-W329 HydrophobicContact CG1-CE3 3.42Å; V185-W329 VanDerWaalsContact CG1-CE3 3.42Å; V185-W329 HydrophobicContact CG1-CZ3 3.62Å; V185-W329 HydrophobicContact CG2-CE3 4.3Å; A189-W329 HydrophobicContact CB-CZ2 4.46Å; D192-W329 WeakPolarHBondContact OD2-CZ2 3.49Å; D192-W329 PolarHBondContact OD2-NE1 3.49Å; M193-W329 HydrophobicContact CE-CH2 3.9Å; M193-W329 HydrophobicContact CE-CZ2 4.01Å; F254-W329 HydrophobicContact CE2-CH2 4.23Å; F254-W329 AromaticContact CE2-CZ3 3.93Å; F254-W329 HydrophobicContact CE2-CZ3 3.93Å; F254-W329 HydrophobicContact CZ-CH2 4.29Å; F254-W329 AromaticContact CZ-CZ3 3.89Å; F254-W329 HydrophobicContact CZ-CZ3 3.89Å; H327-W329 PolarHBondContact O-N 3.28Å; H327-W329 VanDerWaalsContact O-N 3.08Å; W329-F332 WeakPolarHBondContact O-CB 3.42Å; W329-F332 PolarHBondContact O-N 3.38Å; W329-V333 HydrophobicContact CE3-CG2 4.22Å; W329-V333 HydrophobicContact CZ3-CG2 4.42Å; W329-V333 WeakPolarHBondContact O-CG2 3.5Å; W329-V333 PolarHBondContact O-N 2.68Å; W329-V333 VanDerWaalsContact O-N 3.13Å
330	R	88.3	Confident	81	Confident	3 Å²	3	40.8 Å²	40.8	1%	0.011	24%	0.239	C	C	.	.	H	α-helix	trans	-73.9	-36.7	174.7	-63.6	177	174.3	-77.8	-1.6	111.5	S246 V248 F326 H327 S328 F332 V333 L334	S246-R330 WeakPolarHBondContact CB-O 3.49Å; S246-R330 WeakPolarHBondContact O-CB 3.39Å; S246-R330 WeakPolarHBondContact O-CD 3.46Å; S246-R330 WeakPolarHBondContact O-CG 3.48Å; S246-R330 PolarHBondContact O-NH1 3.14Å; V248-R330 PolarHBondContact O-NH1 3.41Å; V248-R330 PolarHBondContact O-NH2 2.88Å; F326-R330 HydrophobicContact CD2-CB 4.12Å; F326-R330 HydrophobicContact CE1-CB 4.19Å; F326-R330 HydrophobicContact CE2-CB 3.71Å; F326-R330 HydrophobicContact CZ-CB 3.75Å; H327-R330 WeakPolarHBondContact O-CB 3.35Å; H327-R330 PolarHBondContact O-N 2.8Å; S328-R330 VanDerWaalsContact C-N 3.27Å; S328-R330 PolarHBondContact O-N 3.44Å; R330-F332 VanDerWaalsContact C-N 3.3Å; R330-V333 PolarHBondContact O-N 3.34Å; R330-L334 PolarHBondContact O-N 3Å
331	V	88.1	Confident	83	Confident	18 Å²	18	38 Å²	38	11%	0.109	23%	0.229	C	C	.	.	H	α-helix	trans	-60.2	-43.6	169.8	-178.2	0	0	0	0	110	I310 W316 F326 S328 V333 L334 V335	I310-V331 HydrophobicContact CG2-CB 4.05Å; I310-V331 HydrophobicContact CG2-CG1 4.05Å; W316-V331 HydrophobicContact CB-CG2 4.32Å; W316-V331 HydrophobicContact CE3-CG1 4.26Å; F326-V331 HydrophobicContact CD1-CG2 4.03Å; F326-V331 HydrophobicContact CE1-CG2 3.49Å; F326-V331 VanDerWaalsContact CE1-CG2 3.49Å; S328-V331 WeakPolarHBondContact O-CB 3.38Å; S328-V331 PolarHBondContact O-N 2.93Å; V331-V333 PolarHBondContact O-N 3.04Å; V331-L334 WeakPolarHBondContact O-CB 3.39Å; V331-L334 PolarHBondContact O-N 2.9Å; V331-V335 HydrophobicContact CG1-CG2 4.38Å; V331-V335 WeakPolarHBondContact O-CG2 3.31Å; V331-V335 PolarHBondContact O-N 2.86Å
332	F	90.2	Very high	84.6	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-57.2	-47.6	175.5	165.9	-109.1	0	0	0	112.1	V181 F184 V185 A303 M306 A307 I310 I311 S328 W329 R330 L334 V335 C336	V181-F332 HydrophobicContact CB-CE1 4.3Å; V181-F332 HydrophobicContact CG1-CE1 4Å; V181-F332 HydrophobicContact CG2-CE1 4.06Å; V181-F332 HydrophobicContact CG2-CZ 3.92Å; F184-F332 HydrophobicContact CB-CE1 3.85Å; F184-F332 HydrophobicContact CB-CZ 4.03Å; F184-F332 HydrophobicContact CD2-CZ 4.2Å; V185-F332 HydrophobicContact CG2-CD1 3.76Å; V185-F332 HydrophobicContact CG2-CE1 3.85Å; A303-F332 VanDerWaalsContact O-CE2 3.22Å; A303-F332 WeakPolarHBondContact O-CE2 3.34Å; M306-F332 HydrophobicContact CB-CD2 4.01Å; M306-F332 HydrophobicContact CB-CE2 3.91Å; A307-F332 HydrophobicContact CB-CD2 4.16Å; A307-F332 HydrophobicContact CB-CE1 4.45Å; A307-F332 HydrophobicContact CB-CE2 3.68Å; A307-F332 HydrophobicContact CB-CZ 3.83Å; A307-F332 VanDerWaalsContact N-CE2 3.27Å; I310-F332 HydrophobicContact CB-CB 4.43Å; I310-F332 HydrophobicContact CG2-CB 4.24Å; I311-F332 HydrophobicContact CD1-CB 4.49Å; I311-F332 HydrophobicContact CD1-CD1 4.06Å; I311-F332 HydrophobicContact CD1-CG 4.17Å; I311-F332 HydrophobicContact CG1-CB 4.09Å; I311-F332 HydrophobicContact CG1-CG 4.26Å; S328-F332 PolarHBondContact O-N 2.82Å; W329-F332 WeakPolarHBondContact O-CB 3.42Å; W329-F332 PolarHBondContact O-N 3.38Å; R330-F332 VanDerWaalsContact C-N 3.3Å; F332-L334 VanDerWaalsContact C-N 3.3Å; F332-L334 PolarHBondContact O-N 3.46Å; F332-V335 PolarHBondContact O-N 3.26Å; F332-C336 WeakPolarHBondContact CE2-SG 3.5Å; F332-C336 VanDerWaalsContact CZ-SG 3.56Å; F332-C336 PolarHBondContact O-N 3.17Å; F332-C336 PolarHBondContact O-SG 3Å; F332-C336 VanDerWaalsContact O-SG 3.33Å
333	V	91.4	Very high	86.4	Confident	2 Å²	2	31.3 Å²	31.3	1%	0.012	18%	0.176	C	C	.	.	H	α-helix	trans	-58.1	-42.5	175.8	171.4	0	0	0	0	112.1	V181 V185 S245 W329 R330 V331 C336 A337	V181-V333 HydrophobicContact CG1-CG2 4.19Å; V185-V333 HydrophobicContact CG2-CG2 3.54Å; S245-V333 VanDerWaalsContact OG-CG1 3.31Å; S245-V333 WeakPolarHBondContact OG-CG1 3.07Å; W329-V333 HydrophobicContact CE3-CG2 4.22Å; W329-V333 HydrophobicContact CZ3-CG2 4.42Å; W329-V333 WeakPolarHBondContact O-CG2 3.5Å; W329-V333 PolarHBondContact O-N 2.68Å; W329-V333 VanDerWaalsContact O-N 3.13Å; R330-V333 PolarHBondContact O-N 3.34Å; V331-V333 PolarHBondContact O-N 3.04Å; V333-C336 WeakPolarHBondContact O-CB 3.43Å; V333-C336 PolarHBondContact O-N 2.98Å; V333-A337 PolarHBondContact O-N 3.24Å
334	L	91.8	Very high	88.2	Confident	44 Å²	44	29.2 Å²	29.2	23%	0.23	15%	0.153	C	C	.	.	H	α-helix	trans	-61	-46	176.3	-170.8	85.2	0	0	0	111.4	F243 F247 R330 V331 F332 C336 A337	F243-L334 HydrophobicContact CD2-CD1 3.48Å; F243-L334 VanDerWaalsContact CD2-CD1 3.48Å; F243-L334 HydrophobicContact CE2-CD1 3.52Å; F243-L334 HydrophobicContact CG-CD1 4.43Å; F243-L334 HydrophobicContact CZ-CD1 4.47Å; F247-L334 HydrophobicContact CE2-CD1 4.02Å; F247-L334 HydrophobicContact CZ-CD1 4.26Å; R330-L334 PolarHBondContact O-N 3Å; V331-L334 WeakPolarHBondContact O-CB 3.39Å; V331-L334 PolarHBondContact O-N 2.9Å; F332-L334 VanDerWaalsContact C-N 3.3Å; F332-L334 PolarHBondContact O-N 3.46Å; L334-C336 PolarHBondContact O-N 2.83Å; L334-A337 WeakPolarHBondContact O-CB 3.26Å; L334-A337 PolarHBondContact O-N 3.27Å
335	V	92.8	Very high	89.4	Confident	25 Å²	25	29.6 Å²	29.6	15%	0.152	17%	0.166	C	C	.	.	H	α-helix	trans	-65.4	-30	180	171.6	0	0	0	0	112	Y302 M306 I310 V331 F332 A337 F338	Y302-V335 WeakPolarHBondContact OH-CG1 3.32Å; Y302-V335 PolarHBondContact OH-O 3.39Å; M306-V335 HydrophobicContact CB-CG1 4.49Å; M306-V335 HydrophobicContact CG-CG1 4.04Å; M306-V335 HydrophobicContact SD-CG1 3.99Å; I310-V335 HydrophobicContact CD1-CB 4Å; I310-V335 HydrophobicContact CD1-CG1 4.12Å; I310-V335 HydrophobicContact CD1-CG2 3.83Å; V331-V335 HydrophobicContact CG1-CG2 4.38Å; V331-V335 WeakPolarHBondContact O-CG2 3.31Å; V331-V335 PolarHBondContact O-N 2.86Å; F332-V335 PolarHBondContact O-N 3.26Å; V335-A337 VanDerWaalsContact C-N 3.26Å; V335-A337 PolarHBondContact O-N 2.85Å; V335-F338 HydrophobicContact CB-CD2 4.33Å; V335-F338 HydrophobicContact CB-CE2 4.49Å; V335-F338 HydrophobicContact CG1-CD2 4.3Å; V335-F338 HydrophobicContact CG2-CE2 4.22Å; V335-F338 WeakPolarHBondContact O-CD2 3.5Å; V335-F338 PolarHBondContact O-N 3.3Å
336	C	91.8	Very high	90.6	Very high	5 Å²	5	28.1 Å²	28.1	3%	0.034	16%	0.163	C	C	.	.	H	α-helix	trans	-71.3	-17.3	174.6	-74.3	0	0	0	0	114	V177 V181 F332 V333 L334 P339	V177-C336 HydrophobicContact CG1-CB 3.47Å; V177-C336 VanDerWaalsContact CG1-CB 3.47Å; V177-C336 WeakPolarHBondContact CG1-O 3.46Å; V181-C336 HydrophobicContact CG2-CB 3.47Å; V181-C336 VanDerWaalsContact CG2-CB 3.47Å; V181-C336 WeakPolarHBondContact CG2-SG 3.45Å; F332-C336 WeakPolarHBondContact CE2-SG 3.5Å; F332-C336 VanDerWaalsContact CZ-SG 3.56Å; F332-C336 PolarHBondContact O-N 3.17Å; F332-C336 PolarHBondContact O-SG 3Å; F332-C336 VanDerWaalsContact O-SG 3.33Å; V333-C336 WeakPolarHBondContact O-CB 3.43Å; V333-C336 PolarHBondContact O-N 2.98Å; L334-C336 PolarHBondContact O-N 2.83Å; C336-P339 WeakPolarHBondContact O-CD 3.49Å
337	A	92.5	Very high	91.4	Very high	6 Å²	6	26.8 Å²	26.8	5%	0.05	16%	0.157	C	C	.	.	H	α-helix	trans	-76.5	-20.4	173.1	0	0	0	0	0	112.9	A242 V333 L334 V335 S340 V341	A242-A337 HydrophobicContact CB-CB 4.23Å; V333-A337 PolarHBondContact O-N 3.24Å; L334-A337 WeakPolarHBondContact O-CB 3.26Å; L334-A337 PolarHBondContact O-N 3.27Å; V335-A337 VanDerWaalsContact C-N 3.26Å; V335-A337 PolarHBondContact O-N 2.85Å; A337-S340 WeakPolarHBondContact O-CB 3.36Å; A337-S340 PolarHBondContact O-N 3.39Å; A337-S340 VanDerWaalsContact O-N 3.12Å; A337-S340 PolarHBondContact O-OG 3.11Å; A337-V341 PolarHBondContact O-N 3.05Å
338	F	93	Very high	92	Very high	124 Å²	124	27.7 Å²	27.7	54%	0.544	17%	0.168	S	C	.	.	H	α-helix	trans	-58	-44.5	-175.3	-77.1	-63.9	0	0	0	115.2	V335 S340 V341 A342	V335-F338 HydrophobicContact CB-CD2 4.33Å; V335-F338 HydrophobicContact CB-CE2 4.49Å; V335-F338 HydrophobicContact CG1-CD2 4.3Å; V335-F338 HydrophobicContact CG2-CE2 4.22Å; V335-F338 WeakPolarHBondContact O-CD2 3.5Å; V335-F338 PolarHBondContact O-N 3.3Å; F338-S340 PolarHBondContact O-N 3.42Å; F338-V341 PolarHBondContact O-N 3.08Å; F338-V341 VanDerWaalsContact O-N 3.12Å; F338-A342 PolarHBondContact O-N 3.3Å
339	P	93.8	Very high	92.5	Very high	9 Å²	9	31.9 Å²	31.9	6%	0.058	19%	0.194	C	C	.	.	H	α-helix	trans	-57.2	-34.9	176.5	-27.4	36.7	0	0	0	113.2	M173 A174 V177 Y302 C336 A342 A343	M173-P339 HydrophobicContact CE-CB 4.4Å; M173-P339 HydrophobicContact CE-CG 4.02Å; M173-P339 HydrophobicContact SD-CB 4.45Å; A174-P339 HydrophobicContact CB-CB 4.23Å; V177-P339 HydrophobicContact CG2-CG 4.46Å; Y302-P339 HydrophobicContact CD1-CG 4.17Å; Y302-P339 HydrophobicContact CE1-CG 3.69Å; C336-P339 WeakPolarHBondContact O-CD 3.49Å; P339-A342 PolarHBondContact O-N 3.04Å; P339-A343 WeakPolarHBondContact O-CB 3.37Å; P339-A343 PolarHBondContact O-N 2.95Å
340	S	93.4	Very high	93	Very high	2 Å²	2	32.3 Å²	32.3	1%	0.014	20%	0.196	C	C	.	.	H	α-helix	trans	-66.3	-42.5	176.4	74.9	0	0	0	0	112.1	S239 A337 F338 A343 I344	S239-S340 VanDerWaalsContact CB-OG 3.32Å; S239-S340 WeakPolarHBondContact CB-OG 3.45Å; S239-S340 PolarHBondContact OG-OG 3.03Å; S239-S340 VanDerWaalsContact OG-OG 3.08Å; A337-S340 WeakPolarHBondContact O-CB 3.36Å; A337-S340 PolarHBondContact O-N 3.39Å; A337-S340 VanDerWaalsContact O-N 3.12Å; A337-S340 PolarHBondContact O-OG 3.11Å; F338-S340 PolarHBondContact O-N 3.42Å; S340-A343 PolarHBondContact O-N 3.12Å; S340-I344 WeakPolarHBondContact O-CD1 3.3Å; S340-I344 VanDerWaalsContact O-CG1 3.25Å; S340-I344 WeakPolarHBondContact O-CG1 3.26Å; S340-I344 PolarHBondContact O-N 3.22Å
341	V	94.8	Very high	93.2	Very high	74 Å²	74	33 Å²	33	45%	0.448	20%	0.201	S	C	.	.	H	α-helix	trans	-65.4	-43.2	176.8	-179.1	0	0	0	0	110.7	S239 A337 F338 A343 I344 S345	S239-V341 WeakPolarHBondContact OG-CG2 3.18Å; A337-V341 PolarHBondContact O-N 3.05Å; F338-V341 PolarHBondContact O-N 3.08Å; F338-V341 VanDerWaalsContact O-N 3.12Å; V341-A343 VanDerWaalsContact C-N 3.33Å; V341-A343 PolarHBondContact O-N 3.29Å; V341-I344 PolarHBondContact O-N 3.21Å; V341-S345 PolarHBondContact O-N 3.4Å
342	A	95.2	Very high	93.5	Very high	46 Å²	46	32.5 Å²	32.5	38%	0.38	20%	0.198	S	C	.	.	H	α-helix	trans	-61	-42.5	175.8	0	0	0	0	0	111.6	F338 P339 S345 A346	F338-A342 PolarHBondContact O-N 3.3Å; P339-A342 PolarHBondContact O-N 3.04Å; A342-S345 PolarHBondContact O-N 3.32Å; A342-A346 WeakPolarHBondContact O-CB 3.46Å; A342-A346 PolarHBondContact O-N 3.12Å
343	A	95	Very high	93.6	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.008	20%	0.198	C	C	.	.	H	α-helix	trans	-63.3	-43.4	175.9	0	0	0	0	0	112.2	L170 A171 L235 P339 S340 V341 A346 L347	L170-A343 HydrophobicContact CB-CB 3.99Å; A171-A343 HydrophobicContact CB-CB 4.29Å; L235-A343 HydrophobicContact CD1-CB 4.13Å; P339-A343 WeakPolarHBondContact O-CB 3.37Å; P339-A343 PolarHBondContact O-N 2.95Å; S340-A343 PolarHBondContact O-N 3.12Å; V341-A343 VanDerWaalsContact C-N 3.33Å; V341-A343 PolarHBondContact O-N 3.29Å; A343-A346 PolarHBondContact O-N 3.07Å; A343-L347 WeakPolarHBondContact O-CB 3.32Å; A343-L347 PolarHBondContact O-N 3.41Å
344	I	95.9	Very high	93.5	Very high	38 Å²	38	32.4 Å²	32.4	20%	0.195	20%	0.197	C	C	.	.	H	α-helix	trans	-60	-48.1	176.3	-67.2	160.5	0	0	0	110.6	L232 L235 S340 V341 A346 L347 S348	L232-I344 HydrophobicContact CD2-CG2 4.11Å; L235-I344 HydrophobicContact CB-CD1 4.21Å; L235-I344 HydrophobicContact CB-CG1 3.74Å; S340-I344 WeakPolarHBondContact O-CD1 3.3Å; S340-I344 VanDerWaalsContact O-CG1 3.25Å; S340-I344 WeakPolarHBondContact O-CG1 3.26Å; S340-I344 PolarHBondContact O-N 3.22Å; V341-I344 PolarHBondContact O-N 3.21Å; I344-A346 VanDerWaalsContact C-N 3.33Å; I344-A346 PolarHBondContact O-N 3.37Å; I344-L347 PolarHBondContact O-N 3.19Å; I344-S348 PolarHBondContact O-N 3.31Å
345	S	95.4	Very high	93.3	Very high	80 Å²	80	31 Å²	31	56%	0.559	19%	0.189	S	C	*	.	H	α-helix	trans	-60.1	-44.4	178	-172.3	0	0	0	0	111.4	V341 A342 S348	V341-S345 PolarHBondContact O-N 3.4Å; A342-S345 PolarHBondContact O-N 3.32Å; S345-S348 PolarHBondContact O-OG 3.11Å
346	A	94.9	Very high	93.1	Very high	23 Å²	23	30.5 Å²	30.5	19%	0.19	18%	0.184	C	C	.	.	H	α-helix	trans	-68.1	-42.2	-179.8	0	0	0	0	0	112.2	V167 L170 A342 A343 I344 S348 T349	V167-A346 HydrophobicContact CB-CB 4.44Å; V167-A346 HydrophobicContact CG1-CB 3.95Å; V167-A346 HydrophobicContact CG2-CB 4.1Å; L170-A346 HydrophobicContact CD1-CB 4.46Å; A342-A346 WeakPolarHBondContact O-CB 3.46Å; A342-A346 PolarHBondContact O-N 3.12Å; A343-A346 PolarHBondContact O-N 3.07Å; I344-A346 VanDerWaalsContact C-N 3.33Å; I344-A346 PolarHBondContact O-N 3.37Å; A346-S348 VanDerWaalsContact C-N 3.26Å; A346-S348 PolarHBondContact O-N 3.34Å; A346-T349 PolarHBondContact O-N 3.39Å; A346-T349 VanDerWaalsContact O-N 3.14Å; A346-T349 PolarHBondContact O-OG1 2.72Å
347	L	94.5	Very high	92.9	Very high	2 Å²	2	32.3 Å²	32.3	1%	0.01	19%	0.191	C	C	.	.	H	α-helix	trans	-68.4	-24.7	-179.6	-171.3	64.7	0	0	0	112.9	V167 L168 R228 L231 L232 L235 Y275 A343 I344 T349 M350	V167-L347 HydrophobicContact CG1-CB 4.19Å; V167-L347 HydrophobicContact CG1-CD1 4.18Å; L168-L347 HydrophobicContact CD2-CD1 4.22Å; R228-L347 HydrophobicContact CG-CD1 4.32Å; R228-L347 HydrophobicContact CG-CG 4.26Å; R228-L347 PolarHBondContact NE-O 3.15Å; L231-L347 HydrophobicContact CB-CD2 3.84Å; L231-L347 HydrophobicContact CD2-CD1 4.22Å; L231-L347 HydrophobicContact CD2-CD2 3.58Å; L231-L347 HydrophobicContact CG-CD2 3.56Å; L232-L347 HydrophobicContact CB-CD2 4.49Å; L232-L347 HydrophobicContact CD2-CB 3.9Å; L232-L347 HydrophobicContact CD2-CD2 3.79Å; L232-L347 HydrophobicContact CD2-CG 3.95Å; L232-L347 HydrophobicContact CG-CB 4.47Å; L232-L347 HydrophobicContact CG-CD2 3.66Å; L232-L347 HydrophobicContact CG-CG 3.96Å; L235-L347 HydrophobicContact CD1-CD2 4.36Å; Y275-L347 HydrophobicContact CE1-CD1 4.14Å; A343-L347 WeakPolarHBondContact O-CB 3.32Å; A343-L347 PolarHBondContact O-N 3.41Å; I344-L347 PolarHBondContact O-N 3.19Å; L347-T349 PolarHBondContact O-N 3.18Å; L347-M350 HydrophobicContact CD1-CB 4.47Å; L347-M350 PolarHBondContact O-N 3.28Å
348	S	93.2	Very high	92.6	Very high	62 Å²	62	32.1 Å²	32.1	43%	0.434	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-27.8	172.8	77.4	0	0	0	0	112.7	R228 I344 S345 A346	R228-S348 PolarHBondContact NH2-O 3.24Å; I344-S348 PolarHBondContact O-N 3.31Å; S345-S348 PolarHBondContact O-OG 3.11Å; A346-S348 VanDerWaalsContact C-N 3.26Å; A346-S348 PolarHBondContact O-N 3.34Å
349	T	92.6	Very high	91.9	Very high	97 Å²	97	27.9 Å²	27.9	60%	0.595	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.4	-14.5	-178.9	69.8	0	0	0	0	114.4	A346 L347	A346-T349 PolarHBondContact O-N 3.39Å; A346-T349 VanDerWaalsContact O-N 3.14Å; A346-T349 PolarHBondContact O-OG1 2.72Å; L347-T349 PolarHBondContact O-N 3.18Å
350	M	93.9	Very high	91.3	Very high	17 Å²	17	30 Å²	30	8%	0.084	18%	0.181	C	C	.	.	S	Bend	trans	-86.3	147.8	-178.3	-64.8	-65.9	117.5	0	0	111	T163 L164 V167 R228 L347	T163-M350 HydrophobicContact CG2-CE 3.64Å; L164-M350 HydrophobicContact CD1-CG 4.13Å; L164-M350 HydrophobicContact CD1-SD 4.03Å; V167-M350 HydrophobicContact CB-CG 4.33Å; V167-M350 HydrophobicContact CG1-CG 3.93Å; V167-M350 HydrophobicContact CG2-CE 3.98Å; V167-M350 HydrophobicContact CG2-CG 4.12Å; V167-M350 HydrophobicContact CG2-SD 4.22Å; R228-M350 WeakPolarHBondContact CD-O 3.47Å; R228-M350 PolarHBondContact NE-O 3.45Å; L347-M350 HydrophobicContact CD1-CB 4.47Å; L347-M350 PolarHBondContact O-N 3.28Å
351	P	94.1	Very high	90.6	Very high	17 Å²	17	31.6 Å²	31.6	11%	0.11	20%	0.198	C	C	.	.	P	Polyproline II helix	trans	-78.7	163.7	175.1	32.3	-34.7	0	0	0	112.3	F160 Y275 I369	F160-P351 HydrophobicContact CE2-CG 4.1Å; F160-P351 HydrophobicContact CZ-CG 3.73Å; Y275-P351 PolarHBondContact OH-O 2.97Å; P351-I369 HydrophobicContact CB-CD1 4.01Å; P351-I369 HydrophobicContact CB-CG1 3.95Å; P351-I369 HydrophobicContact CB-CG2 4.09Å; P351-I369 HydrophobicContact CG-CG2 3.99Å
352	E	93.2	Very high	90.2	Very high	9 Å²	9	32.5 Å²	32.5	4%	0.042	20%	0.197	C	C	.	.	P	Polyproline II helix	trans	-69	166.3	171.3	-171.8	56.3	-92.1	0	0	110.9	R227 R228 Q229 F356 Y357	R227-E352 PolarHBondContact N-OE1 2.94Å; R227-E352 PolarHBondContact N-OE2 3.48Å; R228-E352 WeakPolarHBondContact CB-OE2 3.31Å; R228-E352 PolarHBondContact N-OE1 3.34Å; R228-E352 PolarHBondContact N-OE2 3.42Å; R228-E352 VanDerWaalsContact N-OE2 3.11Å; Q229-E352 PolarHBondContact N-OE2 2.91Å; E352-F356 HydrophobicContact CG-CD1 3.88Å; E352-F356 HydrophobicContact CG-CE1 4.43Å; E352-Y357 HydrophobicContact CB-CE2 3.69Å; E352-Y357 HydrophobicContact CG-CE2 4.14Å
353	S	91.8	Very high	89.6	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	19%	0.188	C	C	.	.	P	Polyproline II helix	trans	-65.1	129.9	178.5	175	0	0	0	0	112.1	E278 R355 F356 Y357	E278-S353 WeakPolarHBondContact OE2-CB 3.27Å; E278-S353 PolarHBondContact OE2-OG 3.18Å; S353-R355 VanDerWaalsContact C-N 3.25Å; S353-R355 PolarHBondContact O-N 2.8Å; S353-R355 PolarHBondContact OG-N 3.22Å; S353-F356 WeakPolarHBondContact O-CB 3.43Å; S353-F356 PolarHBondContact O-N 3.35Å; S353-Y357 PolarHBondContact O-N 2.83Å
354	P	90.4	Very high	89.2	Confident	0 Å²	0	38 Å²	38	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-64.5	-31.3	174	27.5	-35.5	0	0	0	111.8	Y148 F279 F356 Y357 L358 A366 I369 L370	Y148-P354 HydrophobicContact CE2-CB 4.43Å; Y148-P354 HydrophobicContact CE2-CG 4.25Å; Y148-P354 VanDerWaalsContact OH-CG 3.25Å; Y148-P354 WeakPolarHBondContact OH-CG 3.39Å; F279-P354 VanDerWaalsContact CE1-CD 3.44Å; F279-P354 HydrophobicContact CE1-CG 3.99Å; F279-P354 HydrophobicContact CZ-CG 4.28Å; P354-F356 VanDerWaalsContact C-N 3.35Å; P354-F356 PolarHBondContact O-N 3.49Å; P354-Y357 PolarHBondContact O-N 3.35Å; P354-L358 WeakPolarHBondContact O-CG 3.42Å; P354-L358 PolarHBondContact O-N 3.35Å; P354-A366 HydrophobicContact CB-CB 4.43Å; P354-I369 HydrophobicContact CB-CB 4.37Å; P354-I369 HydrophobicContact CB-CG2 4.16Å; P354-I369 HydrophobicContact CG-CG2 4.22Å; P354-L370 HydrophobicContact CB-CD1 4.37Å; P354-L370 HydrophobicContact CB-CD2 4.14Å; P354-L370 HydrophobicContact CB-CG 3.88Å; P354-L370 HydrophobicContact CG-CD2 4.04Å; P354-L370 HydrophobicContact CG-CG 4.32Å
355	R	87.1	Confident	88.9	Confident	14 Å²	14	39.1 Å²	39.1	5%	0.053	22%	0.222	C	C	.	.	H	α-helix	trans	-67.6	-36.3	177.7	-165.8	166.2	-175.2	156.8	-5.4	112.2	Y148 E278 S353 Y357 L358 E359 S674 L736 Q737	Y148-R355 HydrophobicContact CE1-CB 4.38Å; Y148-R355 HydrophobicContact CE2-CB 4.47Å; E278-R355 HydrophobicContact CB-CB 4.36Å; E278-R355 HydrophobicContact CG-CB 4.24Å; S353-R355 VanDerWaalsContact C-N 3.25Å; S353-R355 PolarHBondContact O-N 2.8Å; S353-R355 PolarHBondContact OG-N 3.22Å; R355-Y357 VanDerWaalsContact C-N 3.31Å; R355-Y357 PolarHBondContact O-N 3.29Å; R355-L358 PolarHBondContact O-N 3.37Å; R355-E359 WeakPolarHBondContact O-CG 3.43Å; R355-E359 PolarHBondContact O-N 2.84Å; R355-S674 WeakPolarHBondContact CD-OG 3.5Å; R355-S674 PolarHBondContact NE-OG 2.97Å; R355-S674 PolarHBondContact NH2-OG 2.67Å; R355-L736 VanDerWaalsContact NH1-CB 3.34Å; R355-L736 PolarHBondContact NH1-O 3.34Å; R355-L736 PolarHBondContact NH2-O 2.83Å; R355-Q737 PolarHBondContact NH2-O 3.26Å; R355-Q737 PolarHBondContact NH2-OXT 3.1Å; R355-Q737 VanDerWaalsContact NH2-OXT 3.08Å
356	F	87.9	Confident	88.6	Confident	14 Å²	14	35.3 Å²	35.3	6%	0.061	20%	0.196	C	C	.	.	H	α-helix	trans	-59.1	-42.4	171.5	176.7	-107.4	0	0	0	111.9	G226 R227 E352 S353 P354 E359 N360	G226-F356 VanDerWaalsContact CA-CZ 3.45Å; G226-F356 VanDerWaalsContact N-CZ 3.33Å; R227-F356 VanDerWaalsContact NH1-CB 3.29Å; E352-F356 HydrophobicContact CG-CD1 3.88Å; E352-F356 HydrophobicContact CG-CE1 4.43Å; S353-F356 WeakPolarHBondContact O-CB 3.43Å; S353-F356 PolarHBondContact O-N 3.35Å; P354-F356 VanDerWaalsContact C-N 3.35Å; P354-F356 PolarHBondContact O-N 3.49Å; F356-E359 PolarHBondContact O-N 3.06Å; F356-N360 VanDerWaalsContact CE1-ND2 3.27Å; F356-N360 WeakPolarHBondContact CE1-ND2 3.26Å; F356-N360 WeakPolarHBondContact CE2-ND2 3.17Å; F356-N360 WeakPolarHBondContact CZ-ND2 3.38Å; F356-N360 PolarHBondContact O-N 3.31Å; F356-N360 VanDerWaalsContact O-N 3.16Å; F356-N360 PolarHBondContact O-ND2 3.26Å
357	Y	88.4	Confident	88.4	Confident	44 Å²	44	37.5 Å²	37.5	17%	0.173	20%	0.199	C	C	.	.	H	α-helix	trans	-69.8	-39.6	179.4	-73.1	-45.7	0	0	0	113.2	E352 S353 P354 R355 E359 N360 G361 K362 E365 I369	E352-Y357 HydrophobicContact CB-CE2 3.69Å; E352-Y357 HydrophobicContact CG-CE2 4.14Å; S353-Y357 PolarHBondContact O-N 2.83Å; P354-Y357 PolarHBondContact O-N 3.35Å; R355-Y357 VanDerWaalsContact C-N 3.31Å; R355-Y357 PolarHBondContact O-N 3.29Å; Y357-E359 VanDerWaalsContact C-N 3.33Å; Y357-E359 PolarHBondContact O-N 3.24Å; Y357-N360 CarbonylContact O-C 3.46Å; Y357-N360 PolarHBondContact O-N 3.37Å; Y357-N360 VanDerWaalsContact O-N 3.15Å; Y357-G361 PolarHBondContact O-N 3.46Å; Y357-K362 HydrophobicContact CD1-CB 4.15Å; Y357-K362 HydrophobicContact CD1-CD 3.89Å; Y357-K362 HydrophobicContact CE1-CD 4.21Å; Y357-K362 HydrophobicContact CG-CB 4.46Å; Y357-K362 PolarHBondContact O-N 2.93Å; Y357-E365 HydrophobicContact CD1-CB 4.32Å; Y357-E365 WeakPolarHBondContact CD1-OE2 3.32Å; Y357-E365 HydrophobicContact CD2-CB 3.98Å; Y357-E365 HydrophobicContact CE1-CB 4.49Å; Y357-E365 WeakPolarHBondContact CE1-OE2 3.47Å; Y357-E365 HydrophobicContact CE2-CB 4.15Å; Y357-E365 HydrophobicContact CG-CB 4.05Å; Y357-E365 VanDerWaalsContact CZ-OE2 3.27Å; Y357-I369 HydrophobicContact CD2-CD1 3.71Å; Y357-I369 HydrophobicContact CE2-CD1 3.43Å; Y357-I369 VanDerWaalsContact CE2-CD1 3.43Å
358	L	85.4	Confident	88.2	Confident	2 Å²	2	42.6 Å²	42.6	1%	0.01	22%	0.224	C	C	.	.	H	α-helix	trans	-62.8	-39.3	174.9	-67.7	171.2	0	0	0	112.3	L144 Y148 P354 R355 N360 G361 A366 I393	L144-L358 HydrophobicContact CD1-CD1 4.21Å; L144-L358 HydrophobicContact CD2-CB 4.34Å; Y148-L358 HydrophobicContact CD2-CD1 3.58Å; Y148-L358 HydrophobicContact CE2-CD1 3.97Å; P354-L358 WeakPolarHBondContact O-CG 3.42Å; P354-L358 PolarHBondContact O-N 3.35Å; R355-L358 PolarHBondContact O-N 3.37Å; L358-N360 VanDerWaalsContact C-N 3.27Å; L358-N360 PolarHBondContact O-N 3.39Å; L358-G361 PolarHBondContact O-N 3.15Å; L358-A366 HydrophobicContact CD1-CB 4.48Å; L358-A366 HydrophobicContact CD2-CB 3.63Å; L358-A366 HydrophobicContact CG-CB 3.64Å; L358-I393 HydrophobicContact CD1-CD1 4.47Å; L358-I393 HydrophobicContact CD1-CG2 4.08Å; L358-I393 HydrophobicContact CD2-CB 4.06Å; L358-I393 HydrophobicContact CD2-CD1 4.08Å; L358-I393 HydrophobicContact CD2-CG2 3.66Å; L358-I393 HydrophobicContact CG-CG2 4.5Å
359	E	79.6	Confident	88.1	Confident	34 Å²	34	40.4 Å²	40.4	16%	0.159	21%	0.207	C	C	.	.	H	α-helix	trans	-67.2	-27.5	174.9	-73.1	-178	151.8	0	0	112.9	R227 R355 F356 Y357 S674 H675	R227-E359 IonicContact NH1-OE2 2.75Å; R227-E359 IonicContact NH2-OE2 3.6Å; R355-E359 WeakPolarHBondContact O-CG 3.43Å; R355-E359 PolarHBondContact O-N 2.84Å; F356-E359 PolarHBondContact O-N 3.06Å; Y357-E359 VanDerWaalsContact C-N 3.33Å; Y357-E359 PolarHBondContact O-N 3.24Å; E359-S674 VanDerWaalsContact OE1-CB 3.32Å; E359-S674 WeakPolarHBondContact OE1-CB 3.42Å; E359-H675 WeakPolarHBondContact OE1-CB 3.5Å; E359-H675 PolarHBondContact OE1-N 3.32Å; E359-H675 IonicContact OE1-ND1 2.68Å; E359-H675 PolarHBondContact OE2-N 3.34Å
360	N	80.5	Confident	88.1	Confident	53 Å²	53	35.8 Å²	35.8	28%	0.283	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.3	11.9	176.7	-71.2	-24.3	0	0	0	113.6	F356 Y357 L358 K362	F356-N360 VanDerWaalsContact CE1-ND2 3.27Å; F356-N360 WeakPolarHBondContact CE1-ND2 3.26Å; F356-N360 WeakPolarHBondContact CE2-ND2 3.17Å; F356-N360 WeakPolarHBondContact CZ-ND2 3.38Å; F356-N360 PolarHBondContact O-N 3.31Å; F356-N360 VanDerWaalsContact O-N 3.16Å; F356-N360 PolarHBondContact O-ND2 3.26Å; Y357-N360 CarbonylContact O-C 3.46Å; Y357-N360 PolarHBondContact O-N 3.37Å; Y357-N360 VanDerWaalsContact O-N 3.15Å; L358-N360 VanDerWaalsContact C-N 3.27Å; L358-N360 PolarHBondContact O-N 3.39Å; N360-K362 PolarHBondContact O-N 3.37Å
361	G	79.9	Confident	87.9	Confident	36 Å²	36	39 Å²	39	37%	0.371	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.3	6.8	179	0	0	0	0	0	115.2	Y357 L358 H363	Y357-G361 PolarHBondContact O-N 3.46Å; L358-G361 PolarHBondContact O-N 3.15Å; G361-H363 PolarHBondContact O-N 3.31Å; G361-H363 VanDerWaalsContact O-N 3.15Å
362	K	84.6	Confident	87.8	Confident	94 Å²	94	42.5 Å²	42.5	41%	0.409	21%	0.207	S	C	.	.			trans	-87.4	80.1	-178.8	-65	-158.6	-178.9	-168.4	0	111.9	Y357 N360 E365 A366	Y357-K362 HydrophobicContact CD1-CB 4.15Å; Y357-K362 HydrophobicContact CD1-CD 3.89Å; Y357-K362 HydrophobicContact CE1-CD 4.21Å; Y357-K362 HydrophobicContact CG-CB 4.46Å; Y357-K362 PolarHBondContact O-N 2.93Å; N360-K362 PolarHBondContact O-N 3.37Å; K362-E365 HydrophobicContact CB-CB 4.4Å; K362-E365 VanDerWaalsContact CD-CD 3.44Å; K362-E365 HydrophobicContact CD-CG 4.46Å; K362-E365 WeakPolarHBondContact CD-OE2 3.43Å; K362-E365 VanDerWaalsContact NZ-CD 3.32Å; K362-E365 IonicContact NZ-OE1 2.62Å; K362-E365 PolarHBondContact NZ-OE1 3.2Å; K362-E365 IonicContact NZ-OE2 2.9Å; K362-E365 PolarHBondContact NZ-OE2 2.63Å; K362-A366 PolarHBondContact O-N 3.26Å
363	H	84.3	Confident	87.7	Confident	42 Å²	42	42.1 Å²	42.1	19%	0.194	21%	0.206	C	C	.	.	H	α-helix	trans	-62.6	-51.6	-174	-176.3	62.1	0	0	0	113.5	G361 E365 A366 W367 I393 T395	G361-H363 PolarHBondContact O-N 3.31Å; G361-H363 VanDerWaalsContact O-N 3.15Å; H363-E365 PolarHBondContact O-N 3.38Å; H363-A366 PolarHBondContact O-N 3.08Å; H363-W367 WeakPolarHBondContact O-CB 3.32Å; H363-W367 PolarHBondContact O-N 3.45Å; H363-I393 PolarHBondContact CE1-N 3.06Å; H363-T395 HydrophobicContact CB-CG2 4.37Å
364	D	86.1	Confident	87.6	Confident	119 Å²	119	42.3 Å²	42.3	64%	0.636	21%	0.206	S	C	*	.	H	α-helix	trans	-64.5	-41.5	-172.8	-56.5	-23.8	0	0	0	112.3	A366 W367 M368	D364-A366 PolarHBondContact O-N 3.23Å; D364-W367 PolarHBondContact O-N 2.92Å; D364-M368 WeakPolarHBondContact O-CB 3.4Å; D364-M368 VanDerWaalsContact O-CG 3.3Å; D364-M368 WeakPolarHBondContact O-CG 3.46Å; D364-M368 PolarHBondContact O-N 2.97Å
365	E	89	Confident	87.5	Confident	63 Å²	63	45.5 Å²	45.5	29%	0.294	22%	0.224	S	C	.	.	H	α-helix	trans	-62.2	-42.9	177	-68.1	179.5	-163.8	0	0	111.1	Y357 K362 H363 M368 I369	Y357-E365 HydrophobicContact CD1-CB 4.32Å; Y357-E365 WeakPolarHBondContact CD1-OE2 3.32Å; Y357-E365 HydrophobicContact CD2-CB 3.98Å; Y357-E365 HydrophobicContact CE1-CB 4.49Å; Y357-E365 WeakPolarHBondContact CE1-OE2 3.47Å; Y357-E365 HydrophobicContact CE2-CB 4.15Å; Y357-E365 HydrophobicContact CG-CB 4.05Å; Y357-E365 VanDerWaalsContact CZ-OE2 3.27Å; K362-E365 HydrophobicContact CB-CB 4.4Å; K362-E365 VanDerWaalsContact CD-CD 3.44Å; K362-E365 HydrophobicContact CD-CG 4.46Å; K362-E365 WeakPolarHBondContact CD-OE2 3.43Å; K362-E365 VanDerWaalsContact NZ-CD 3.32Å; K362-E365 IonicContact NZ-OE1 2.62Å; K362-E365 PolarHBondContact NZ-OE1 3.2Å; K362-E365 IonicContact NZ-OE2 2.9Å; K362-E365 PolarHBondContact NZ-OE2 2.63Å; H363-E365 PolarHBondContact O-N 3.38Å; E365-M368 HydrophobicContact CG-CE 4.41Å; E365-I369 WeakPolarHBondContact O-CD1 3.45Å; E365-I369 WeakPolarHBondContact O-CG1 3.23Å; E365-I369 PolarHBondContact O-N 3.15Å
366	A	89.6	Confident	87.6	Confident	0 Å²	0	47 Å²	47	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-65.5	-45	176.9	0	0	0	0	0	112.2	P354 L358 K362 H363 D364 I369 L370	P354-A366 HydrophobicContact CB-CB 4.43Å; L358-A366 HydrophobicContact CD1-CB 4.48Å; L358-A366 HydrophobicContact CD2-CB 3.63Å; L358-A366 HydrophobicContact CG-CB 3.64Å; K362-A366 PolarHBondContact O-N 3.26Å; H363-A366 PolarHBondContact O-N 3.08Å; D364-A366 PolarHBondContact O-N 3.23Å; A366-I369 PolarHBondContact O-N 3.37Å; A366-L370 WeakPolarHBondContact O-CG 3.48Å; A366-L370 PolarHBondContact O-N 3.26Å
367	W	89.9	Confident	87.8	Confident	69 Å²	69	46.3 Å²	46.3	26%	0.261	23%	0.231	S	C	.	.	H	α-helix	trans	-63.2	-44	-179.2	-175.1	93.2	0	0	0	111.8	H363 D364 I369 L370 K371 F388 V390	H363-W367 WeakPolarHBondContact O-CB 3.32Å; H363-W367 PolarHBondContact O-N 3.45Å; D364-W367 PolarHBondContact O-N 2.92Å; W367-I369 VanDerWaalsContact C-N 3.27Å; W367-I369 PolarHBondContact O-N 3.42Å; W367-L370 PolarHBondContact O-N 3.37Å; W367-K371 HydrophobicContact CE3-CD 4.41Å; W367-K371 HydrophobicContact CH2-CD 3.45Å; W367-K371 VanDerWaalsContact CH2-CD 3.45Å; W367-K371 HydrophobicContact CZ2-CD 4.16Å; W367-K371 HydrophobicContact CZ3-CB 4.47Å; W367-K371 HydrophobicContact CZ3-CD 3.58Å; W367-K371 WeakPolarHBondContact O-CB 3.35Å; W367-K371 PolarHBondContact O-N 3.44Å; W367-F388 AromaticContact CD1-CE1 3.85Å; W367-F388 AromaticContact CE2-CD1 3.97Å; W367-F388 HydrophobicContact CZ2-CD1 4.14Å; W367-F388 AromaticContact NE1-CD1 3.72Å; W367-F388 AromaticContact NE1-CE1 3.48Å; W367-V390 PolarHBondContact NE1-O 3.38Å
368	M	90.6	Very high	87.7	Confident	109 Å²	109	44.7 Å²	44.7	54%	0.537	23%	0.226	S	C	.	.	H	α-helix	trans	-58	-40.1	176.3	-76	-171.2	-66.6	0	0	112.3	D364 E365 Q372	D364-M368 WeakPolarHBondContact O-CB 3.4Å; D364-M368 VanDerWaalsContact O-CG 3.3Å; D364-M368 WeakPolarHBondContact O-CG 3.46Å; D364-M368 PolarHBondContact O-N 2.97Å; E365-M368 HydrophobicContact CG-CE 4.41Å; M368-Q372 WeakPolarHBondContact O-CB 3.42Å; M368-Q372 PolarHBondContact O-N 3.49Å
369	I	92.3	Very high	87.7	Confident	15 Å²	15	54.3 Å²	54.3	8%	0.077	26%	0.262	C	S	.	.	H	α-helix	trans	-71	-44.4	179.3	-67.7	166.6	0	0	0	110.7	F279 P351 P354 Y357 E365 A366 W367 K371 Q372 V373	F279-I369 HydrophobicContact CE1-CG2 4.14Å; F279-I369 HydrophobicContact CZ-CG2 4.49Å; P351-I369 HydrophobicContact CB-CD1 4.01Å; P351-I369 HydrophobicContact CB-CG1 3.95Å; P351-I369 HydrophobicContact CB-CG2 4.09Å; P351-I369 HydrophobicContact CG-CG2 3.99Å; P354-I369 HydrophobicContact CB-CB 4.37Å; P354-I369 HydrophobicContact CB-CG2 4.16Å; P354-I369 HydrophobicContact CG-CG2 4.22Å; Y357-I369 HydrophobicContact CD2-CD1 3.71Å; Y357-I369 HydrophobicContact CE2-CD1 3.43Å; Y357-I369 VanDerWaalsContact CE2-CD1 3.43Å; E365-I369 WeakPolarHBondContact O-CD1 3.45Å; E365-I369 WeakPolarHBondContact O-CG1 3.23Å; E365-I369 PolarHBondContact O-N 3.15Å; A366-I369 PolarHBondContact O-N 3.37Å; W367-I369 VanDerWaalsContact C-N 3.27Å; W367-I369 PolarHBondContact O-N 3.42Å; I369-K371 VanDerWaalsContact C-N 3.31Å; I369-K371 PolarHBondContact O-N 3.37Å; I369-Q372 WeakPolarHBondContact O-CB 3.2Å; I369-Q372 PolarHBondContact O-N 3.26Å; I369-Q372 VanDerWaalsContact O-N 3.14Å; I369-V373 HydrophobicContact CG2-CG2 4.47Å; I369-V373 VanDerWaalsContact O-CG2 3.3Å; I369-V373 WeakPolarHBondContact O-CG2 3.18Å; I369-V373 PolarHBondContact O-N 3.11Å
370	L	91.4	Very high	87.9	Confident	1 Å²	1	55.5 Å²	55.5	1%	0.005	28%	0.278	C	S	.	.	H	α-helix	trans	-60.4	-42.9	176.6	-72.1	165.9	0	0	0	111.5	Y148 I151 P354 A366 W367 V373 H374 F388 I393	Y148-L370 HydrophobicContact CE2-CD1 4.26Å; Y148-L370 HydrophobicContact CE2-CD2 3.99Å; I151-L370 HydrophobicContact CG2-CD1 4.15Å; I151-L370 HydrophobicContact CG2-CD2 4.26Å; P354-L370 HydrophobicContact CB-CD1 4.37Å; P354-L370 HydrophobicContact CB-CD2 4.14Å; P354-L370 HydrophobicContact CB-CG 3.88Å; P354-L370 HydrophobicContact CG-CD2 4.04Å; P354-L370 HydrophobicContact CG-CG 4.32Å; A366-L370 WeakPolarHBondContact O-CG 3.48Å; A366-L370 PolarHBondContact O-N 3.26Å; W367-L370 PolarHBondContact O-N 3.37Å; L370-V373 PolarHBondContact O-N 2.94Å; L370-H374 WeakPolarHBondContact O-CB 3.26Å; L370-H374 PolarHBondContact O-N 3.47Å; L370-F388 HydrophobicContact CB-CE1 4.49Å; L370-F388 HydrophobicContact CB-CZ 3.91Å; L370-I393 HydrophobicContact CD1-CD1 3.78Å
371	K	90.6	Very high	88	Confident	83 Å²	83	57.6 Å²	57.6	36%	0.361	28%	0.284	S	S	.	.	H	α-helix	trans	-59.8	-45.8	172.1	179.7	171.8	178.2	176.9	0	111.9	W367 I369 V373 H374 D375 F388	W367-K371 HydrophobicContact CE3-CD 4.41Å; W367-K371 HydrophobicContact CH2-CD 3.45Å; W367-K371 VanDerWaalsContact CH2-CD 3.45Å; W367-K371 HydrophobicContact CZ2-CD 4.16Å; W367-K371 HydrophobicContact CZ3-CB 4.47Å; W367-K371 HydrophobicContact CZ3-CD 3.58Å; W367-K371 WeakPolarHBondContact O-CB 3.35Å; W367-K371 PolarHBondContact O-N 3.44Å; I369-K371 VanDerWaalsContact C-N 3.31Å; I369-K371 PolarHBondContact O-N 3.37Å; K371-V373 VanDerWaalsContact C-N 3.29Å; K371-V373 PolarHBondContact O-N 3.5Å; K371-H374 PolarHBondContact O-N 3.07Å; K371-D375 WeakPolarHBondContact CG-OD2 3.04Å; K371-D375 WeakPolarHBondContact O-CB 3.36Å; K371-D375 PolarHBondContact O-N 3.48Å; K371-F388 HydrophobicContact CB-CD1 4.41Å
372	Q	91	Very high	88	Confident	91 Å²	91	58.5 Å²	58.5	43%	0.425	29%	0.293	S	S	.	.	H	α-helix	trans	-58.4	-41.5	176.1	-177	-174.8	-0.9	0	0	112	M368 I369 T376	M368-Q372 WeakPolarHBondContact O-CB 3.42Å; M368-Q372 PolarHBondContact O-N 3.49Å; I369-Q372 WeakPolarHBondContact O-CB 3.2Å; I369-Q372 PolarHBondContact O-N 3.26Å; I369-Q372 VanDerWaalsContact O-N 3.14Å; Q372-T376 VanDerWaalsContact O-CB 3.26Å; Q372-T376 WeakPolarHBondContact O-CB 3.37Å; Q372-T376 PolarHBondContact O-N 2.59Å; Q372-T376 PolarHBondContact O-OG1 3.43Å
373	V	91.3	Very high	87.8	Confident	1 Å²	1	60.7 Å²	60.7	1%	0.006	30%	0.3	C	S	.	.	H	α-helix	trans	-64.6	-50.1	176.9	174.9	0	0	0	0	110.5	C155 F160 F279 I369 L370 K371 T376 N377	C155-V373 HydrophobicContact CB-CG1 4.36Å; F160-V373 HydrophobicContact CB-CG1 4.38Å; F160-V373 HydrophobicContact CD1-CB 4.36Å; F160-V373 HydrophobicContact CD1-CG1 3.98Å; F160-V373 HydrophobicContact CD1-CG2 3.69Å; F160-V373 HydrophobicContact CD2-CG2 4.18Å; F160-V373 HydrophobicContact CE1-CG2 3.58Å; F160-V373 HydrophobicContact CE2-CG2 4.08Å; F160-V373 HydrophobicContact CG-CB 4.43Å; F160-V373 HydrophobicContact CG-CG1 4.23Å; F160-V373 HydrophobicContact CG-CG2 4Å; F160-V373 HydrophobicContact CZ-CG2 3.78Å; F279-V373 HydrophobicContact CD1-CG2 4.14Å; F279-V373 HydrophobicContact CE1-CG2 4.04Å; I369-V373 HydrophobicContact CG2-CG2 4.47Å; I369-V373 VanDerWaalsContact O-CG2 3.3Å; I369-V373 WeakPolarHBondContact O-CG2 3.18Å; I369-V373 PolarHBondContact O-N 3.11Å; L370-V373 PolarHBondContact O-N 2.94Å; K371-V373 VanDerWaalsContact C-N 3.29Å; K371-V373 PolarHBondContact O-N 3.5Å; V373-T376 PolarHBondContact O-N 2.71Å; V373-N377 WeakPolarHBondContact O-CB 3.18Å; V373-N377 VanDerWaalsContact O-CG 3.25Å; V373-N377 PolarHBondContact O-N 3.05Å; V373-N377 PolarHBondContact O-ND2 3.17Å
374	H	90.4	Very high	87.3	Confident	4 Å²	4	63.1 Å²	63.1	2%	0.019	32%	0.319	C	S	.	.	H	α-helix	trans	-56	-54.3	177.3	173.9	-86.2	0	0	0	111.5	C155 L370 K371 T376 N377 M378 R386 F388	C155-H374 HydrophobicContact CB-CB 4.39Å; L370-H374 WeakPolarHBondContact O-CB 3.26Å; L370-H374 PolarHBondContact O-N 3.47Å; K371-H374 PolarHBondContact O-N 3.07Å; H374-T376 VanDerWaalsContact C-N 3.32Å; H374-T376 PolarHBondContact O-N 2.74Å; H374-N377 PolarHBondContact O-N 3.5Å; H374-N377 VanDerWaalsContact O-N 3.08Å; H374-M378 WeakPolarHBondContact NE2-CG 3.37Å; H374-M378 WeakPolarHBondContact O-CG 3.4Å; H374-M378 PolarHBondContact O-N 3.27Å; H374-R386 PolarHBondContact CE1-O 2.96Å; H374-R386 VanDerWaalsContact CE1-O 3.3Å; H374-F388 HydrophobicContact CB-CD2 3.86Å; H374-F388 HydrophobicContact CB-CE2 4.4Å; H374-F388 AromaticContact CD2-CD2 3.94Å; H374-F388 AromaticContact CG-CD2 3.8Å
375	D	88.9	Confident	86.4	Confident	68 Å²	68	66 Å²	66	36%	0.364	33%	0.329	S	S	.	.	H	α-helix	trans	-63.3	-39.3	-176.4	-67.4	-7.3	0	0	0	111.5	K371 N377 R379	K371-D375 WeakPolarHBondContact CG-OD2 3.04Å; K371-D375 WeakPolarHBondContact O-CB 3.36Å; K371-D375 PolarHBondContact O-N 3.48Å; D375-N377 VanDerWaalsContact C-N 3.31Å; D375-N377 PolarHBondContact O-N 3.22Å; D375-R379 WeakPolarHBondContact O-CB 3.41Å; D375-R379 PolarHBondContact O-N 3.5Å
376	T	89.1	Confident	85.6	Confident	44 Å²	44	70.4 Å²	70.4	27%	0.27	34%	0.343	S	S	.	.	H	α-helix	trans	-63.3	-39.4	175.8	-59.3	0	0	0	0	111.5	K159 F160 Q372 V373 H374 A380	K159-T376 HydrophobicContact CB-CG2 4.41Å; F160-T376 HydrophobicContact CB-CG2 4.02Å; Q372-T376 VanDerWaalsContact O-CB 3.26Å; Q372-T376 WeakPolarHBondContact O-CB 3.37Å; Q372-T376 PolarHBondContact O-N 2.59Å; Q372-T376 PolarHBondContact O-OG1 3.43Å; V373-T376 PolarHBondContact O-N 2.71Å; H374-T376 VanDerWaalsContact C-N 3.32Å; H374-T376 PolarHBondContact O-N 2.74Å; T376-A380 WeakPolarHBondContact O-CB 3.42Å; T376-A380 PolarHBondContact O-N 3.34Å
377	N	90.6	Very high	84.8	Confident	0 Å²	0	76.2 Å²	76.2	0%	0	38%	0.378	C	S	.	.	H	α-helix	trans	-75.8	-43.5	-179.1	-73.2	-17.6	0	0	0	112.5	C155 G156 G158 K159 F160 Q161 V373 H374 D375 A380 K381	C155-N377 WeakPolarHBondContact O-CB 3.48Å; C155-N377 PolarHBondContact O-ND2 3.47Å; G156-N377 PolarHBondContact O-ND2 3.02Å; G158-N377 VanDerWaalsContact CA-OD1 3.27Å; G158-N377 WeakPolarHBondContact CA-OD1 3.3Å; K159-N377 PolarHBondContact N-OD1 3.08Å; K159-N377 VanDerWaalsContact N-OD1 3.14Å; F160-N377 WeakPolarHBondContact CB-OD1 3.3Å; F160-N377 PolarHBondContact N-OD1 3.17Å; F160-N377 VanDerWaalsContact N-OD1 3.07Å; Q161-N377 PolarHBondContact NE2-ND2 3.02Å; Q161-N377 PolarHBondContact OE1-ND2 3.25Å; Q161-N377 PolarHBondContact OE1-OD1 3.39Å; V373-N377 WeakPolarHBondContact O-CB 3.18Å; V373-N377 VanDerWaalsContact O-CG 3.25Å; V373-N377 PolarHBondContact O-N 3.05Å; V373-N377 PolarHBondContact O-ND2 3.17Å; H374-N377 PolarHBondContact O-N 3.5Å; H374-N377 VanDerWaalsContact O-N 3.08Å; D375-N377 VanDerWaalsContact C-N 3.31Å; D375-N377 PolarHBondContact O-N 3.22Å; N377-A380 PolarHBondContact O-N 2.59Å; N377-K381 WeakPolarHBondContact O-CG 3.21Å; N377-K381 PolarHBondContact O-N 2.91Å; N377-K381 VanDerWaalsContact O-N 3.08Å
378	M	86.7	Confident	84.3	Confident	11 Å²	11	73.6 Å²	73.6	5%	0.054	37%	0.368	C	S	.	.	H	α-helix	trans	-69.4	-38.9	179.5	-65.7	-50.9	149.8	0	0	112.1	E154 C155 H374 A380 K381 G382 Y383 R386	E154-M378 WeakPolarHBondContact O-CE 3.39Å; C155-M378 WeakPolarHBondContact O-CE 3.38Å; H374-M378 WeakPolarHBondContact NE2-CG 3.37Å; H374-M378 WeakPolarHBondContact O-CG 3.4Å; H374-M378 PolarHBondContact O-N 3.27Å; M378-A380 VanDerWaalsContact C-N 3.3Å; M378-A380 PolarHBondContact O-N 3.02Å; M378-K381 PolarHBondContact O-N 3.31Å; M378-K381 VanDerWaalsContact O-N 3.17Å; M378-K381 HydrophobicContact SD-CD 4.45Å; M378-G382 PolarHBondContact O-N 2.97Å; M378-G382 VanDerWaalsContact O-N 3.14Å; M378-Y383 WeakPolarHBondContact CB-O 3.41Å; M378-Y383 PolarHBondContact O-N 3.37Å; M378-R386 HydrophobicContact CG-CB 4.49Å
379	R	85.9	Confident	83.4	Confident	203 Å²	203	72.2 Å²	72.2	77%	0.766	37%	0.37	S	S	*	.	H	α-helix	trans	-61.5	-38	172.5	-166.9	177.8	-156.4	167	7.5	112.3	D375 G382	D375-R379 WeakPolarHBondContact O-CB 3.41Å; D375-R379 PolarHBondContact O-N 3.5Å; R379-G382 PolarHBondContact O-N 3.22Å
380	A	83.1	Confident	82.6	Confident	60 Å²	60	72.7 Å²	72.7	50%	0.496	37%	0.373	S	S	.	.	H	α-helix	trans	-71.1	-29.3	176.6	0	0	0	0	0	113.2	K159 T376 N377 M378 G382	K159-A380 HydrophobicContact CB-CB 3.78Å; K159-A380 HydrophobicContact CD-CB 4.43Å; T376-A380 WeakPolarHBondContact O-CB 3.42Å; T376-A380 PolarHBondContact O-N 3.34Å; N377-A380 PolarHBondContact O-N 2.59Å; M378-A380 VanDerWaalsContact C-N 3.3Å; M378-A380 PolarHBondContact O-N 3.02Å; A380-G382 VanDerWaalsContact C-N 3.31Å
381	K	83.4	Confident	81.3	Confident	97 Å²	97	78.1 Å²	78.1	42%	0.422	41%	0.406	S	S	.	.	H	α-helix	trans	-81	-8.1	175.3	-71.7	176.3	-179.2	174.4	0	113.8	H157 N377 M378 Y383	H157-K381 VanDerWaalsContact O-CE 3.3Å; H157-K381 WeakPolarHBondContact O-CE 3.39Å; H157-K381 PolarHBondContact O-NZ 3.48Å; N377-K381 WeakPolarHBondContact O-CG 3.21Å; N377-K381 PolarHBondContact O-N 2.91Å; N377-K381 VanDerWaalsContact O-N 3.08Å; M378-K381 PolarHBondContact O-N 3.31Å; M378-K381 VanDerWaalsContact O-N 3.17Å; M378-K381 HydrophobicContact SD-CD 4.45Å; K381-Y383 HydrophobicContact CB-CD2 3.91Å; K381-Y383 HydrophobicContact CB-CE2 4.36Å
382	G	80.1	Confident	80.2	Confident	54 Å²	54	79.5 Å²	79.5	56%	0.557	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.3	13.5	-178.9	0	0	0	0	0	115	M378 R379 A380 P384	M378-G382 PolarHBondContact O-N 2.97Å; M378-G382 VanDerWaalsContact O-N 3.14Å; R379-G382 PolarHBondContact O-N 3.22Å; A380-G382 VanDerWaalsContact C-N 3.31Å; G382-P384 VanDerWaalsContact O-CD 3.25Å; G382-P384 WeakPolarHBondContact O-CD 3.44Å
383	Y	80.5	Confident	79.4	Confident	140 Å²	140	75.5 Å²	75.5	55%	0.549	40%	0.404	S	S	.	.			trans	-117.2	63.1	179.1	-55.5	-73.2	0	0	0	111.9	M378 K381 E385 R386	M378-Y383 WeakPolarHBondContact CB-O 3.41Å; M378-Y383 PolarHBondContact O-N 3.37Å; K381-Y383 HydrophobicContact CB-CD2 3.91Å; K381-Y383 HydrophobicContact CB-CE2 4.36Å; Y383-E385 PolarHBondContact O-N 3.45Å; Y383-E385 VanDerWaalsContact O-N 3.16Å; Y383-R386 PolarHBondContact O-N 3.18Å
384	P	73.3	Confident	78.4	Confident	93 Å²	93	79.5 Å²	79.5	60%	0.604	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-13.8	-176	30.4	-36.3	0	0	0	114.1	G382	G382-P384 VanDerWaalsContact O-CD 3.25Å; G382-P384 WeakPolarHBondContact O-CD 3.44Å
385	E	65.8	Low	77.3	Confident	179 Å²	179	81.7 Å²	81.7	84%	0.836	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-12.6	-176.7	-61.8	-178.7	176.4	0	0	113.9	Y383 V387	Y383-E385 PolarHBondContact O-N 3.45Å; Y383-E385 VanDerWaalsContact O-N 3.16Å; E385-V387 PolarHBondContact O-N 3.03Å
386	R	72.1	Confident	76.2	Confident	157 Å²	157	79 Å²	79	59%	0.592	42%	0.421	S	S	*	.			trans	-66.3	120.3	175.7	-74.5	-170	176.8	-159.2	-2	108.9	H374 M378 Y383	H374-R386 PolarHBondContact CE1-O 2.96Å; H374-R386 VanDerWaalsContact CE1-O 3.3Å; M378-R386 HydrophobicContact CG-CB 4.49Å; Y383-R386 PolarHBondContact O-N 3.18Å
387	V	73.1	Confident	74.7	Confident	121 Å²	121	83.9 Å²	83.9	73%	0.733	44%	0.438	S	S	*	.			trans	-87.2	136.1	177.8	-174.9	0	0	0	0	108.7	E385 S389	E385-V387 PolarHBondContact O-N 3.03Å; V387-S389 PolarHBondContact O-N 2.83Å; V387-S389 VanDerWaalsContact O-N 3.17Å
388	F	80	Confident	73.2	Confident	14 Å²	14	89.1 Å²	89.1	6%	0.061	46%	0.463	C	S	.	.			trans	-62.2	113.4	171.4	-174.4	-116	0	0	0	109.4	I151 W367 L370 K371 H374 V390	I151-F388 HydrophobicContact CG2-CE2 3.8Å; I151-F388 HydrophobicContact CG2-CZ 3.65Å; W367-F388 AromaticContact CD1-CE1 3.85Å; W367-F388 AromaticContact CE2-CD1 3.97Å; W367-F388 HydrophobicContact CZ2-CD1 4.14Å; W367-F388 AromaticContact NE1-CD1 3.72Å; W367-F388 AromaticContact NE1-CE1 3.48Å; L370-F388 HydrophobicContact CB-CE1 4.49Å; L370-F388 HydrophobicContact CB-CZ 3.91Å; K371-F388 HydrophobicContact CB-CD1 4.41Å; H374-F388 HydrophobicContact CB-CD2 3.86Å; H374-F388 HydrophobicContact CB-CE2 4.4Å; H374-F388 AromaticContact CD2-CD2 3.94Å; H374-F388 AromaticContact CG-CD2 3.8Å; F388-V390 VanDerWaalsContact C-N 3.33Å; F388-V390 HydrophobicContact CD1-CB 4.35Å; F388-V390 HydrophobicContact CE1-CB 3.75Å; F388-V390 HydrophobicContact CE1-CG1 4.49Å; F388-V390 HydrophobicContact CE1-CG2 4.5Å; F388-V390 HydrophobicContact CE2-CB 4.44Å; F388-V390 HydrophobicContact CE2-CG2 4.32Å; F388-V390 HydrophobicContact CZ-CB 3.8Å; F388-V390 HydrophobicContact CZ-CG2 4.1Å; F388-V390 PolarHBondContact O-N 3.37Å
389	S	70.9	Confident	71.4	Confident	81 Å²	81	94.5 Å²	94.5	57%	0.566	49%	0.49	S	S	*	.			trans	-81.3	-11.5	-166.9	69.1	0	0	0	0	114.6	E154 V387	E154-S389 VanDerWaalsContact OE1-CB 3.26Å; E154-S389 WeakPolarHBondContact OE1-CB 3.35Å; E154-S389 PolarHBondContact OE1-N 3.36Å; E154-S389 PolarHBondContact OE1-OG 2.91Å; E154-S389 PolarHBondContact OE2-OG 2.89Å; V387-S389 PolarHBondContact O-N 2.83Å; V387-S389 VanDerWaalsContact O-N 3.17Å
390	V	75.4	Confident	69.3	Low	24 Å²	24	91 Å²	91	15%	0.145	49%	0.487	C	S	.	.			trans	-87.6	116.7	-171.1	179.9	0	0	0	0	109.8	I151 W367 F388 I393	I151-V390 HydrophobicContact CD1-CG1 3.83Å; I151-V390 HydrophobicContact CD1-CG2 4.42Å; I151-V390 HydrophobicContact CG1-CB 4.47Å; I151-V390 HydrophobicContact CG1-CG1 4.08Å; I151-V390 HydrophobicContact CG1-CG2 3.74Å; I151-V390 HydrophobicContact CG2-CG2 4.35Å; W367-V390 PolarHBondContact NE1-O 3.38Å; F388-V390 VanDerWaalsContact C-N 3.33Å; F388-V390 HydrophobicContact CD1-CB 4.35Å; F388-V390 HydrophobicContact CE1-CB 3.75Å; F388-V390 HydrophobicContact CE1-CG1 4.49Å; F388-V390 HydrophobicContact CE1-CG2 4.5Å; F388-V390 HydrophobicContact CE2-CB 4.44Å; F388-V390 HydrophobicContact CE2-CG2 4.32Å; F388-V390 HydrophobicContact CZ-CB 3.8Å; F388-V390 HydrophobicContact CZ-CG2 4.1Å; F388-V390 PolarHBondContact O-N 3.37Å; V390-I393 HydrophobicContact CG1-CG1 3.93Å
391	T	65.8	Low	67.4	Low	115 Å²	115	95.8 Å²	95.8	71%	0.706	50%	0.499	S	S	*	.			trans	-100.9	-31.1	-178.1	50.2	0	0	0	0	113.7
392	T	66.9	Low	65.4	Low	113 Å²	113	97.4 Å²	97.4	69%	0.693	51%	0.512	S	S	*	.			trans	-141.4	135	-177.6	1.1	0	0	0	0	111.1
393	I	74.9	Confident	63.7	Low	7 Å²	7	100.3 Å²	100.3	4%	0.036	52%	0.518	C	S	.	.			trans	-119.2	124.6	178.6	-56.6	167.5	0	0	0	106.8	L144 I151 L358 H363 L370 V390 T395	L144-I393 HydrophobicContact CD1-CG2 3.55Å; I151-I393 HydrophobicContact CD1-CD1 3.98Å; I151-I393 HydrophobicContact CD1-CG1 3.87Å; L358-I393 HydrophobicContact CD1-CD1 4.47Å; L358-I393 HydrophobicContact CD1-CG2 4.08Å; L358-I393 HydrophobicContact CD2-CB 4.06Å; L358-I393 HydrophobicContact CD2-CD1 4.08Å; L358-I393 HydrophobicContact CD2-CG2 3.66Å; L358-I393 HydrophobicContact CG-CG2 4.5Å; H363-I393 PolarHBondContact CE1-N 3.06Å; L370-I393 HydrophobicContact CD1-CD1 3.78Å; V390-I393 HydrophobicContact CG1-CG1 3.93Å; I393-T395 PolarHBondContact O-N 3Å
394	K	68.4	Low	61.7	Low	84 Å²	84	100.2 Å²	100.2	37%	0.365	53%	0.527	S	S	.	.	P	Polyproline II helix	trans	-66.9	117	-178.4	-169.1	178.6	176	-169.2	0	109.7	D140 E143 L144	D140-K394 WeakPolarHBondContact OD1-CE 3.4Å; D140-K394 IonicContact OD1-NZ 2.89Å; D140-K394 PolarHBondContact OD1-NZ 2.97Å; E143-K394 IonicContact OE2-NZ 2.92Å; E143-K394 PolarHBondContact OE2-NZ 2.9Å; L144-K394 VanDerWaalsContact CD1-O 3.28Å; L144-K394 WeakPolarHBondContact CD1-O 3.45Å
395	T	67.8	Low	60.5	Low	51 Å²	51	101.1 Å²	101.1	31%	0.313	53%	0.525	S	S	.	.	P	Polyproline II helix	trans	-91.1	153.3	178.4	51.9	0	0	0	0	111.3	H363 I393	H363-T395 HydrophobicContact CB-CG2 4.37Å; I393-T395 PolarHBondContact O-N 3Å
396	V	66.3	Low	59.7	Low	12 Å²	12	96.9 Å²	96.9	7%	0.073	52%	0.515	C	S	.	.	P	Polyproline II helix	trans	-73.7	128.1	173.4	-176.2	0	0	0	0	108.3	V137 R141 L144 Q398	V137-V396 HydrophobicContact CG1-CG1 3.87Å; R141-V396 HydrophobicContact CG-CG1 4.35Å; R141-V396 HydrophobicContact CG-CG2 3.64Å; L144-V396 HydrophobicContact CD2-CG2 3.92Å; V396-Q398 PolarHBondContact O-N 2.94Å; V396-Q398 VanDerWaalsContact O-N 3.08Å
397	K	58.7	Low	59	Low	145 Å²	145	96 Å²	96	63%	0.63	52%	0.522	S	S	*	.			trans	-61.1	111	172.5	-68.8	179.3	-179.1	174.9	0	109.4
398	Q	57.3	Low	58.2	Low	110 Å²	110	95.7 Å²	95.7	51%	0.514	53%	0.525	S	S	.	.			trans	-82.5	137.8	170.7	-98.4	179.4	-19.1	0	0	109.6	V396 D400	V396-Q398 PolarHBondContact O-N 2.94Å; V396-Q398 VanDerWaalsContact O-N 3.08Å; Q398-D400 PolarHBondContact O-N 3.33Å
399	I	49.6	Very low	57.5	Low	124 Å²	124	96.5 Å²	96.5	64%	0.636	53%	0.534	S	S	*	.			trans	-73.9	111.4	161.4	-61.6	169.7	0	0	0	105.2	F133 E401	F133-I399 HydrophobicContact CE1-CD1 3.68Å; F133-I399 HydrophobicContact CE1-CG1 3.96Å; F133-I399 HydrophobicContact CZ-CD1 4.15Å; F133-I399 HydrophobicContact CZ-CG1 3.92Å; I399-E401 VanDerWaalsContact C-N 3.34Å; I399-E401 PolarHBondContact O-N 3.04Å
400	D	41	Very low	57.9	Low	130 Å²	130	95.3 Å²	95.3	70%	0.695	53%	0.53	S	S	*	.			trans	-62	97.1	170.3	-80.3	-30.4	0	0	0	108.5	Q398 L402	Q398-D400 PolarHBondContact O-N 3.33Å; D400-L402 PolarHBondContact O-N 3.05Å
401	E	44.3	Very low	57.9	Low	161 Å²	161	102.1 Å²	102.1	75%	0.752	55%	0.553	S	S	*	*			trans	-67.1	82.8	159.2	-87.1	-172.8	157.9	0	0	107.3	I399 V403	I399-E401 VanDerWaalsContact C-N 3.34Å; I399-E401 PolarHBondContact O-N 3.04Å; E401-V403 PolarHBondContact O-N 3.03Å
402	L	40.6	Very low	58.6	Low	131 Å²	131	102.8 Å²	102.8	69%	0.686	55%	0.547	S	S	*	.			trans	-61	75.7	166.2	-89	147	0	0	0	109.3	D400 N404	D400-L402 PolarHBondContact O-N 3.05Å; L402-N404 PolarHBondContact O-N 3.02Å
403	V	44.9	Very low	59.1	Low	114 Å²	114	101.9 Å²	101.9	69%	0.691	54%	0.536	S	S	*	.			trans	-75.4	83.2	160	-176.4	0	0	0	0	106.3	E401 M405	E401-V403 PolarHBondContact O-N 3.03Å; V403-M405 VanDerWaalsContact C-N 3.34Å; V403-M405 PolarHBondContact O-N 2.98Å
404	N	38.6	Very low	59.3	Low	139 Å²	139	104.4 Å²	104.4	74%	0.743	55%	0.546	S	S	*	.			trans	-58.2	98.4	167.4	-81.4	-25.6	0	0	0	108.3	L402 S406	L402-N404 PolarHBondContact O-N 3.02Å; N404-S406 PolarHBondContact O-N 3.19Å
405	M	48.6	Very low	59.9	Low	111 Å²	111	107.5 Å²	107.5	55%	0.547	56%	0.556	S	S	.	*			trans	-68.4	118.8	169.7	-79.5	-161.5	-173.8	0	0	108.4	V403 D407	V403-M405 VanDerWaalsContact C-N 3.34Å; V403-M405 PolarHBondContact O-N 2.98Å; M405-D407 PolarHBondContact O-N 3.28Å; M405-D407 VanDerWaalsContact O-N 3.15Å
406	S	48.8	Very low	60.6	Low	91 Å²	91	113.1 Å²	113.1	64%	0.636	57%	0.571	S	S	*	*			trans	-55.8	116.8	158.8	162.3	0	0	0	0	108.5	N404 S408	N404-S406 PolarHBondContact O-N 3.19Å; S406-S408 PolarHBondContact O-N 3.12Å
407	D	56.8	Low	61.3	Low	138 Å²	138	118 Å²	118	74%	0.738	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.2	-7.6	-171.3	-123.9	-19	0	0	0	113.8	M405 K414	M405-D407 PolarHBondContact O-N 3.28Å; M405-D407 VanDerWaalsContact O-N 3.15Å; D407-K414 PolarHBondContact O-NZ 2.98Å; D407-K414 IonicContact OD1-NZ 3.46Å; D407-K414 PolarHBondContact OD1-NZ 3.41Å
408	S	57.5	Low	62.3	Low	115 Å²	115	116.9 Å²	116.9	80%	0.804	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.9	1	-174.4	-78.4	0	0	0	0	116.7	S406	S406-S408 PolarHBondContact O-N 3.12Å
409	A	64.9	Low	63.5	Low	30 Å²	30	117 Å²	117	25%	0.248	60%	0.595	C	S	.	*	S	Bend	trans	-73.9	143.5	-179.3	0	0	0	0	0	113.2	E413 K414	A409-E413 HydrophobicContact CB-CB 4.37Å; A409-K414 HydrophobicContact CB-CG 3.94Å; A409-K414 WeakPolarHBondContact O-CE 3.34Å
410	A	78.7	Confident	65.1	Low	57 Å²	57	114.9 Å²	114.9	47%	0.471	59%	0.591	S	S	.	*			trans	-60.8	149.3	176	0	0	0	0	0	111.4	H412 E413 K414	A410-H412 PolarHBondContact O-N 3.36Å; A410-H412 VanDerWaalsContact O-N 3.12Å; A410-E413 WeakPolarHBondContact O-CA 3.35Å; A410-E413 WeakPolarHBondContact O-CB 3.32Å; A410-E413 PolarHBondContact O-N 3.07Å; A410-K414 PolarHBondContact O-N 3.45Å
411	W	76.6	Confident	67	Low	167 Å²	167	111.2 Å²	111.2	63%	0.633	58%	0.576	S	S	*	*	H	α-helix	trans	-54	-37.9	-175.8	177.6	87.5	0	0	0	113.6	E413 K414 W415	W411-E413 PolarHBondContact O-N 3.08Å; W411-K414 PolarHBondContact O-N 3.13Å; W411-W415 AromaticContact CD1-CD1 3.99Å; W411-W415 AromaticContact CD2-CD1 3.77Å; W411-W415 AromaticContact CE2-CD1 3.24Å; W411-W415 AromaticContact CE2-NE1 3.28Å; W411-W415 VanDerWaalsContact CE2-NE1 3.28Å; W411-W415 AromaticContact CZ2-CD1 3.45Å; W411-W415 VanDerWaalsContact CZ2-CD1 3.45Å; W411-W415 HydrophobicContact CZ2-CD2 4.49Å; W411-W415 AromaticContact CZ2-CE2 3.91Å; W411-W415 HydrophobicContact CZ2-CG 4.23Å; W411-W415 AromaticContact CZ2-NE1 3.21Å; W411-W415 AromaticContact NE1-CD1 3.42Å; W411-W415 AromaticContact NE1-NE1 3.32Å; W411-W415 PolarHBondContact O-N 3.27Å
412	H	79.4	Confident	68.8	Low	128 Å²	128	105.7 Å²	105.7	59%	0.593	55%	0.551	S	S	*	*	H	α-helix	trans	-66.7	-33	175.5	-67	-63.7	0	0	0	113.6	A410 R416	A410-H412 PolarHBondContact O-N 3.36Å; A410-H412 VanDerWaalsContact O-N 3.12Å; H412-R416 WeakPolarHBondContact O-CB 3.47Å; H412-R416 WeakPolarHBondContact O-CG 3.09Å; H412-R416 PolarHBondContact O-N 2.92Å
413	E	78.3	Confident	70.9	Confident	95 Å²	95	105.9 Å²	105.9	44%	0.444	55%	0.547	S	S	.	.	H	α-helix	trans	-73.8	-42.6	176	-68.6	-176.7	152.5	0	0	110.9	A409 A410 W411 W415 R416 L417	A409-E413 HydrophobicContact CB-CB 4.37Å; A410-E413 WeakPolarHBondContact O-CA 3.35Å; A410-E413 WeakPolarHBondContact O-CB 3.32Å; A410-E413 PolarHBondContact O-N 3.07Å; W411-E413 PolarHBondContact O-N 3.08Å; E413-W415 VanDerWaalsContact C-N 3.3Å; E413-W415 PolarHBondContact O-N 3.02Å; E413-R416 PolarHBondContact O-N 3.17Å; E413-L417 WeakPolarHBondContact O-CB 3.27Å; E413-L417 VanDerWaalsContact O-CG 3.28Å; E413-L417 WeakPolarHBondContact O-CG 3.38Å; E413-L417 PolarHBondContact O-N 2.93Å
414	K	78.4	Confident	72.7	Confident	60 Å²	60	105.7 Å²	105.7	26%	0.261	54%	0.538	S	S	.	.	H	α-helix	trans	-57.2	-44.1	172.6	-67.3	-172.7	177	-177.9	0	111.1	D407 A409 A410 W411 K418	D407-K414 PolarHBondContact O-NZ 2.98Å; D407-K414 IonicContact OD1-NZ 3.46Å; D407-K414 PolarHBondContact OD1-NZ 3.41Å; A409-K414 HydrophobicContact CB-CG 3.94Å; A409-K414 WeakPolarHBondContact O-CE 3.34Å; A410-K414 PolarHBondContact O-N 3.45Å; W411-K414 PolarHBondContact O-N 3.13Å; K414-K418 VanDerWaalsContact O-CB 3.27Å; K414-K418 WeakPolarHBondContact O-CB 3.47Å; K414-K418 PolarHBondContact O-N 3.33Å
415	W	80.8	Confident	74.7	Confident	149 Å²	149	101.6 Å²	101.6	56%	0.564	51%	0.514	S	S	*	.	H	α-helix	trans	-66.2	-44.3	176.2	-98.8	87.5	0	0	0	113.6	W411 E413 K418 L419	W411-W415 AromaticContact CD1-CD1 3.99Å; W411-W415 AromaticContact CD2-CD1 3.77Å; W411-W415 AromaticContact CE2-CD1 3.24Å; W411-W415 AromaticContact CE2-NE1 3.28Å; W411-W415 VanDerWaalsContact CE2-NE1 3.28Å; W411-W415 AromaticContact CZ2-CD1 3.45Å; W411-W415 VanDerWaalsContact CZ2-CD1 3.45Å; W411-W415 HydrophobicContact CZ2-CD2 4.49Å; W411-W415 AromaticContact CZ2-CE2 3.91Å; W411-W415 HydrophobicContact CZ2-CG 4.23Å; W411-W415 AromaticContact CZ2-NE1 3.21Å; W411-W415 AromaticContact NE1-CD1 3.42Å; W411-W415 AromaticContact NE1-NE1 3.32Å; W411-W415 PolarHBondContact O-N 3.27Å; E413-W415 VanDerWaalsContact C-N 3.3Å; E413-W415 PolarHBondContact O-N 3.02Å; W415-K418 PolarHBondContact O-N 2.98Å; W415-L419 VanDerWaalsContact O-CB 3.32Å; W415-L419 WeakPolarHBondContact O-CB 3.11Å; W415-L419 PolarHBondContact O-N 2.86Å
416	R	81.6	Confident	76.4	Confident	168 Å²	168	96.8 Å²	96.8	63%	0.634	49%	0.491	S	S	*	.	H	α-helix	trans	-63	-43.3	176.8	-81.2	-168.5	-67.2	-171.9	1.4	112	H412 E413 L419 S420	H412-R416 WeakPolarHBondContact O-CB 3.47Å; H412-R416 WeakPolarHBondContact O-CG 3.09Å; H412-R416 PolarHBondContact O-N 2.92Å; E413-R416 PolarHBondContact O-N 3.17Å; R416-L419 PolarHBondContact O-N 3.27Å; R416-S420 VanDerWaalsContact O-CB 3.24Å; R416-S420 WeakPolarHBondContact O-CB 3.39Å; R416-S420 PolarHBondContact O-N 3.45Å
417	L	81.2	Confident	78.2	Confident	114 Å²	114	97.2 Å²	97.2	60%	0.597	48%	0.479	S	S	*	.	H	α-helix	trans	-64.3	-43.6	177.6	-72.3	169	0	0	0	111.2	E413 S420 S421	E413-L417 WeakPolarHBondContact O-CB 3.27Å; E413-L417 VanDerWaalsContact O-CG 3.28Å; E413-L417 WeakPolarHBondContact O-CG 3.38Å; E413-L417 PolarHBondContact O-N 2.93Å; L417-S420 PolarHBondContact O-N 3.35Å; L417-S421 WeakPolarHBondContact O-CB 3.43Å; L417-S421 PolarHBondContact O-N 3.16Å; L417-S421 PolarHBondContact O-OG 3.23Å
418	K	80.5	Confident	79.5	Confident	123 Å²	123	93.2 Å²	93.2	54%	0.535	46%	0.458	S	S	.	.	H	α-helix	trans	-64.3	-40.9	175.9	-168.7	173	-175	175.1	0	112.3	K414 W415 S421 L422	K414-K418 VanDerWaalsContact O-CB 3.27Å; K414-K418 WeakPolarHBondContact O-CB 3.47Å; K414-K418 PolarHBondContact O-N 3.33Å; W415-K418 PolarHBondContact O-N 2.98Å; K418-S421 PolarHBondContact O-OG 2.02Å; K418-L422 HydrophobicContact CG-CD1 4.32Å; K418-L422 WeakPolarHBondContact O-CB 3.43Å; K418-L422 WeakPolarHBondContact O-CG 3.15Å; K418-L422 PolarHBondContact O-N 2.9Å
419	L	82.9	Confident	80.8	Confident	113 Å²	113	88.6 Å²	88.6	59%	0.592	42%	0.424	S	S	*	.	H	α-helix	trans	-67.1	-41.1	176.2	-171.1	68.5	0	0	0	111.2	W415 R416 L422 F423	W415-L419 VanDerWaalsContact O-CB 3.32Å; W415-L419 WeakPolarHBondContact O-CB 3.11Å; W415-L419 PolarHBondContact O-N 2.86Å; R416-L419 PolarHBondContact O-N 3.27Å; L419-L422 PolarHBondContact O-N 3.09Å; L419-F423 WeakPolarHBondContact O-CB 3.42Å; L419-F423 PolarHBondContact O-N 3.49Å
420	S	81.9	Confident	82	Confident	78 Å²	78	88.4 Å²	88.4	55%	0.545	42%	0.418	S	S	.	.	H	α-helix	trans	-65.4	-41.8	177.2	-171.9	0	0	0	0	111.8	R416 L417 F423 H424	R416-S420 VanDerWaalsContact O-CB 3.24Å; R416-S420 WeakPolarHBondContact O-CB 3.39Å; R416-S420 PolarHBondContact O-N 3.45Å; L417-S420 PolarHBondContact O-N 3.35Å; S420-F423 PolarHBondContact O-N 3.36Å; S420-H424 WeakPolarHBondContact O-CB 3.42Å; S420-H424 PolarHBondContact O-N 3.29Å
421	S	81.1	Confident	82.4	Confident	54 Å²	54	90.7 Å²	90.7	38%	0.378	42%	0.418	S	S	.	.	H	α-helix	trans	-68	-42.3	177.2	66.5	0	0	0	0	111.4	L417 K418 F423 H424 Q425	L417-S421 WeakPolarHBondContact O-CB 3.43Å; L417-S421 PolarHBondContact O-N 3.16Å; L417-S421 PolarHBondContact O-OG 3.23Å; K418-S421 PolarHBondContact O-OG 2.02Å; S421-F423 PolarHBondContact O-N 3.21Å; S421-H424 PolarHBondContact O-N 2.91Å; S421-Q425 WeakPolarHBondContact O-CB 3.21Å; S421-Q425 VanDerWaalsContact O-CG 3.28Å; S421-Q425 WeakPolarHBondContact O-CG 3.47Å; S421-Q425 PolarHBondContact O-N 3.11Å
422	L	81.7	Confident	82.8	Confident	45 Å²	45	84.9 Å²	84.9	24%	0.236	40%	0.401	C	S	.	.	H	α-helix	trans	-60.6	-45.2	173.6	-74.2	172.8	0	0	0	111.7	K418 L419 H424 Q425 V426	K418-L422 HydrophobicContact CG-CD1 4.32Å; K418-L422 WeakPolarHBondContact O-CB 3.43Å; K418-L422 WeakPolarHBondContact O-CG 3.15Å; K418-L422 PolarHBondContact O-N 2.9Å; L419-L422 PolarHBondContact O-N 3.09Å; L422-H424 PolarHBondContact O-N 3.13Å; L422-Q425 PolarHBondContact O-N 3.38Å; L422-V426 VanDerWaalsContact O-CG2 3.3Å; L422-V426 WeakPolarHBondContact O-CG2 3.21Å; L422-V426 PolarHBondContact O-N 2.95Å
423	F	85.7	Confident	83.3	Confident	134 Å²	134	78.8 Å²	78.8	59%	0.588	37%	0.373	S	S	*	.	H	α-helix	trans	-61.2	-45	176.5	179.9	-97.3	0	0	0	111.6	L419 S420 S421 Q425 V426 W427	L419-F423 WeakPolarHBondContact O-CB 3.42Å; L419-F423 PolarHBondContact O-N 3.49Å; S420-F423 PolarHBondContact O-N 3.36Å; S421-F423 PolarHBondContact O-N 3.21Å; F423-Q425 VanDerWaalsContact C-N 3.32Å; F423-Q425 PolarHBondContact O-N 3.34Å; F423-V426 PolarHBondContact O-N 3.33Å; F423-W427 VanDerWaalsContact O-CB 3.31Å; F423-W427 WeakPolarHBondContact O-CB 3.25Å; F423-W427 PolarHBondContact O-N 3.02Å
424	H	83	Confident	83.8	Confident	111 Å²	111	77 Å²	77	51%	0.514	36%	0.364	S	S	.	.	H	α-helix	trans	-60.8	-42.4	177	-168.1	71.7	0	0	0	111.5	S420 S421 L422 W427 N428	S420-H424 WeakPolarHBondContact O-CB 3.42Å; S420-H424 PolarHBondContact O-N 3.29Å; S421-H424 PolarHBondContact O-N 2.91Å; L422-H424 PolarHBondContact O-N 3.13Å; H424-W427 PolarHBondContact O-N 2.89Å; H424-N428 PolarHBondContact CD2-ND2 3.21Å; H424-N428 PolarHBondContact NE2-ND2 3.14Å; H424-N428 VanDerWaalsContact NE2-ND2 3.11Å; H424-N428 WeakPolarHBondContact O-CB 3.27Å; H424-N428 PolarHBondContact O-N 3.46Å; H424-N428 PolarHBondContact O-ND2 3.22Å; H424-N428 PolarHBondContact O-OD1 3.26Å
425	Q	79.6	Confident	84.2	Confident	52 Å²	52	75.5 Å²	75.5	24%	0.243	36%	0.361	C	S	.	.	H	α-helix	trans	-64.4	-43.1	176.2	-76.9	178.7	3.9	0	0	113.3	S421 L422 F423 W427 N428 N429	S421-Q425 WeakPolarHBondContact O-CB 3.21Å; S421-Q425 VanDerWaalsContact O-CG 3.28Å; S421-Q425 WeakPolarHBondContact O-CG 3.47Å; S421-Q425 PolarHBondContact O-N 3.11Å; L422-Q425 PolarHBondContact O-N 3.38Å; F423-Q425 VanDerWaalsContact C-N 3.32Å; F423-Q425 PolarHBondContact O-N 3.34Å; Q425-W427 VanDerWaalsContact C-N 3.32Å; Q425-N428 PolarHBondContact O-N 3.48Å; Q425-N429 PolarHBondContact O-N 3.26Å
426	V	85.1	Confident	84.4	Confident	11 Å²	11	73.4 Å²	73.4	7%	0.067	37%	0.367	C	S	.	.	H	α-helix	trans	-62.6	-43.2	175.1	168.6	0	0	0	0	110.5	L221 L422 F423 N429 F430	L221-V426 HydrophobicContact CD1-CG2 4.12Å; L422-V426 VanDerWaalsContact O-CG2 3.3Å; L422-V426 WeakPolarHBondContact O-CG2 3.21Å; L422-V426 PolarHBondContact O-N 2.95Å; F423-V426 PolarHBondContact O-N 3.33Å; V426-N429 PolarHBondContact O-N 3.16Å; V426-F430 WeakPolarHBondContact O-CB 3.47Å; V426-F430 PolarHBondContact O-N 3.48Å
427	W	86.8	Confident	84.5	Confident	99 Å²	99	71.7 Å²	71.7	38%	0.375	37%	0.366	S	S	.	.	H	α-helix	trans	-64.9	-40.6	177.7	-171.8	-102.5	0	0	0	112.5	F216 F423 H424 Q425 F430 Q431	F216-W427 HydrophobicContact CZ-CE3 4.42Å; F216-W427 HydrophobicContact CZ-CZ3 4.22Å; F423-W427 VanDerWaalsContact O-CB 3.31Å; F423-W427 WeakPolarHBondContact O-CB 3.25Å; F423-W427 PolarHBondContact O-N 3.02Å; H424-W427 PolarHBondContact O-N 2.89Å; Q425-W427 VanDerWaalsContact C-N 3.32Å; W427-F430 HydrophobicContact CE3-CD1 4.1Å; W427-F430 HydrophobicContact CH2-CD1 4.22Å; W427-F430 HydrophobicContact CH2-CE1 4.13Å; W427-F430 AromaticContact CZ3-CD1 3.95Å; W427-F430 HydrophobicContact CZ3-CD1 3.95Å; W427-F430 HydrophobicContact CZ3-CE1 4.15Å; W427-F430 WeakPolarHBondContact O-CB 3.19Å; W427-F430 PolarHBondContact O-N 3.22Å; W427-Q431 WeakPolarHBondContact O-CG 3.43Å; W427-Q431 PolarHBondContact O-N 3.22Å
428	N	84.8	Confident	84.7	Confident	55 Å²	55	68.2 Å²	68.2	29%	0.294	35%	0.345	S	S	.	.	H	α-helix	trans	-64.5	-44.4	175.5	-69.2	-9.7	0	0	0	111	H424 Q425 F430 Q431 T432	H424-N428 PolarHBondContact CD2-ND2 3.21Å; H424-N428 PolarHBondContact NE2-ND2 3.14Å; H424-N428 VanDerWaalsContact NE2-ND2 3.11Å; H424-N428 WeakPolarHBondContact O-CB 3.27Å; H424-N428 PolarHBondContact O-N 3.46Å; H424-N428 PolarHBondContact O-ND2 3.22Å; H424-N428 PolarHBondContact O-OD1 3.26Å; Q425-N428 PolarHBondContact O-N 3.48Å; N428-F430 VanDerWaalsContact C-N 3.28Å; N428-F430 PolarHBondContact O-N 3.35Å; N428-Q431 PolarHBondContact O-N 3.14Å; N428-T432 VanDerWaalsContact O-CG2 3.23Å; N428-T432 WeakPolarHBondContact O-CG2 3.1Å; N428-T432 PolarHBondContact O-N 3.31Å
429	N	84.8	Confident	85.1	Confident	17 Å²	17	69 Å²	69	9%	0.091	35%	0.345	C	S	.	.	H	α-helix	trans	-58.2	-42.9	173.2	-79.3	7.2	0	0	0	111.2	R224 Q425 V426 Q431 T432 I433 T679	R224-N429 PolarHBondContact NE-ND2 3.39Å; R224-N429 PolarHBondContact NH2-OD1 3.32Å; Q425-N429 PolarHBondContact O-N 3.26Å; V426-N429 PolarHBondContact O-N 3.16Å; N429-Q431 PolarHBondContact O-N 2.96Å; N429-T432 PolarHBondContact O-N 3.09Å; N429-T432 PolarHBondContact O-OG1 3.45Å; N429-I433 PolarHBondContact O-N 3.04Å; N429-T679 HydrophobicContact CB-CG2 4.27Å
430	F	88.6	Confident	85.5	Confident	27 Å²	27	71.4 Å²	71.4	12%	0.118	35%	0.346	C	S	.	.	H	α-helix	trans	-58.8	-47.1	175.5	173.1	-106.5	0	0	0	112.4	F216 V426 W427 N428 T432 I433 F434 T679 F683	F216-F430 AromaticContact CE2-CD2 3.86Å; F216-F430 HydrophobicContact CE2-CD2 3.86Å; F216-F430 AromaticContact CE2-CE2 3.98Å; F216-F430 HydrophobicContact CE2-CE2 3.98Å; F216-F430 HydrophobicContact CE2-CG 4.25Å; F216-F430 HydrophobicContact CE2-CZ 4.46Å; F216-F430 HydrophobicContact CZ-CD2 4.45Å; F216-F430 HydrophobicContact CZ-CG 4.39Å; V426-F430 WeakPolarHBondContact O-CB 3.47Å; V426-F430 PolarHBondContact O-N 3.48Å; W427-F430 HydrophobicContact CE3-CD1 4.1Å; W427-F430 HydrophobicContact CH2-CD1 4.22Å; W427-F430 HydrophobicContact CH2-CE1 4.13Å; W427-F430 AromaticContact CZ3-CD1 3.95Å; W427-F430 HydrophobicContact CZ3-CD1 3.95Å; W427-F430 HydrophobicContact CZ3-CE1 4.15Å; W427-F430 WeakPolarHBondContact O-CB 3.19Å; W427-F430 PolarHBondContact O-N 3.22Å; N428-F430 VanDerWaalsContact C-N 3.28Å; N428-F430 PolarHBondContact O-N 3.35Å; F430-T432 VanDerWaalsContact C-N 3.28Å; F430-T432 PolarHBondContact O-N 3.07Å; F430-I433 WeakPolarHBondContact O-CB 3.48Å; F430-I433 PolarHBondContact O-N 3.24Å; F430-F434 HydrophobicContact CD2-CE2 4.26Å; F430-F434 HydrophobicContact CE1-CE2 4.11Å; F430-F434 AromaticContact CE2-CE2 3.57Å; F430-F434 HydrophobicContact CE2-CE2 3.57Å; F430-F434 HydrophobicContact CE2-CZ 4.3Å; F430-F434 HydrophobicContact CZ-CD2 4.4Å; F430-F434 AromaticContact CZ-CE2 3.49Å; F430-F434 HydrophobicContact CZ-CE2 3.49Å; F430-F434 VanDerWaalsContact CZ-CE2 3.49Å; F430-F434 HydrophobicContact CZ-CZ 4.16Å; F430-F434 WeakPolarHBondContact O-CD2 3.17Å; F430-T679 HydrophobicContact CB-CG2 4.44Å; F430-F683 HydrophobicContact CD2-CB 4.42Å; F430-F683 HydrophobicContact CD2-CD2 4.24Å; F430-F683 HydrophobicContact CD2-CG 4.21Å; F430-F683 HydrophobicContact CE2-CB 4.25Å; F430-F683 AromaticContact CE2-CD1 3.96Å; F430-F683 HydrophobicContact CE2-CD1 3.96Å; F430-F683 AromaticContact CE2-CD2 3.37Å; F430-F683 HydrophobicContact CE2-CD2 3.37Å; F430-F683 HydrophobicContact CE2-CE1 4.11Å; F430-F683 AromaticContact CE2-CE2 3.54Å; F430-F683 HydrophobicContact CE2-CE2 3.54Å; F430-F683 AromaticContact CE2-CG 3.58Å; F430-F683 HydrophobicContact CE2-CG 3.58Å; F430-F683 AromaticContact CE2-CZ 3.91Å; F430-F683 HydrophobicContact CE2-CZ 3.91Å; F430-F683 HydrophobicContact CZ-CD2 4.1Å; F430-F683 AromaticContact CZ-CE2 3.82Å; F430-F683 HydrophobicContact CZ-CE2 3.82Å; F430-F683 HydrophobicContact CZ-CZ 4.12Å
431	Q	88.5	Confident	85.8	Confident	104 Å²	104	69 Å²	69	49%	0.486	33%	0.328	S	S	.	.	H	α-helix	trans	-62.1	-35.8	177.1	-71.6	-177.6	-21.6	0	0	112.5	W427 N428 N429 I433 F434	W427-Q431 WeakPolarHBondContact O-CG 3.43Å; W427-Q431 PolarHBondContact O-N 3.22Å; N428-Q431 PolarHBondContact O-N 3.14Å; N429-Q431 PolarHBondContact O-N 2.96Å; Q431-I433 PolarHBondContact O-N 3.49Å; Q431-F434 PolarHBondContact O-N 3.26Å
432	T	85.1	Confident	86.4	Confident	45 Å²	45	66.5 Å²	66.5	28%	0.276	31%	0.31	S	S	.	.	H	α-helix	trans	-65.8	-20.6	179	67.5	0	0	0	0	113.7	N428 N429 F430 F434 S435 K676	N428-T432 VanDerWaalsContact O-CG2 3.23Å; N428-T432 WeakPolarHBondContact O-CG2 3.1Å; N428-T432 PolarHBondContact O-N 3.31Å; N429-T432 PolarHBondContact O-N 3.09Å; N429-T432 PolarHBondContact O-OG1 3.45Å; F430-T432 VanDerWaalsContact C-N 3.28Å; F430-T432 PolarHBondContact O-N 3.07Å; T432-F434 PolarHBondContact O-N 3.44Å; T432-S435 WeakPolarHBondContact O-CB 3.35Å; T432-S435 PolarHBondContact O-N 3.28Å; T432-S435 PolarHBondContact O-OG 3.17Å; T432-S435 VanDerWaalsContact O-OG 3.08Å; T432-K676 WeakPolarHBondContact OG1-CE 3.48Å
433	I	88.3	Confident	86.9	Confident	1 Å²	1	71 Å²	71	1%	0.005	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-20.6	175.1	-62.5	160.5	0	0	0	111.3	N429 F430 Q431 T442 Y672 T679 A680	N429-I433 PolarHBondContact O-N 3.04Å; F430-I433 WeakPolarHBondContact O-CB 3.48Å; F430-I433 PolarHBondContact O-N 3.24Å; Q431-I433 PolarHBondContact O-N 3.49Å; I433-T442 HydrophobicContact CG2-CG2 3.68Å; I433-T442 WeakPolarHBondContact CG2-OG1 3.43Å; I433-T442 PolarHBondContact O-OG1 3.42Å; I433-Y672 HydrophobicContact CG2-CE1 3.93Å; I433-T679 HydrophobicContact CD1-CG2 3.68Å; I433-A680 HydrophobicContact CD1-CB 3.73Å; I433-A680 HydrophobicContact CG1-CB 4.19Å; I433-A680 HydrophobicContact CG2-CB 4.29Å
434	F	90.1	Very high	87.2	Confident	58 Å²	58	66 Å²	66	25%	0.254	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96	11.1	173.2	-64.2	-86.2	0	0	0	113	F430 Q431 T432 T442 Y443 M446 F683	F430-F434 HydrophobicContact CD2-CE2 4.26Å; F430-F434 HydrophobicContact CE1-CE2 4.11Å; F430-F434 AromaticContact CE2-CE2 3.57Å; F430-F434 HydrophobicContact CE2-CE2 3.57Å; F430-F434 HydrophobicContact CE2-CZ 4.3Å; F430-F434 HydrophobicContact CZ-CD2 4.4Å; F430-F434 AromaticContact CZ-CE2 3.49Å; F430-F434 HydrophobicContact CZ-CE2 3.49Å; F430-F434 VanDerWaalsContact CZ-CE2 3.49Å; F430-F434 HydrophobicContact CZ-CZ 4.16Å; F430-F434 WeakPolarHBondContact O-CD2 3.17Å; Q431-F434 PolarHBondContact O-N 3.26Å; T432-F434 PolarHBondContact O-N 3.44Å; F434-T442 HydrophobicContact CD1-CG2 4.42Å; F434-T442 HydrophobicContact CE1-CG2 3.98Å; F434-T442 HydrophobicContact CZ-CG2 4.17Å; F434-Y443 HydrophobicContact CD1-CE1 4.4Å; F434-Y443 HydrophobicContact CE1-CE1 4.13Å; F434-M446 HydrophobicContact CE1-SD 4.02Å; F434-M446 HydrophobicContact CZ-SD 4.21Å; F434-F683 HydrophobicContact CE2-CE1 4.28Å; F434-F683 AromaticContact CZ-CE1 3.68Å; F434-F683 HydrophobicContact CZ-CE1 3.68Å; F434-F683 AromaticContact CZ-CZ 3.95Å; F434-F683 HydrophobicContact CZ-CZ 3.95Å
435	S	86.3	Confident	87.7	Confident	28 Å²	28	60.7 Å²	60.7	20%	0.196	28%	0.279	C	S	.	.	S	Bend	trans	-58.9	156	172.5	77.9	0	0	0	0	110.9	T432 E437 Y438 R439	T432-S435 WeakPolarHBondContact O-CB 3.35Å; T432-S435 PolarHBondContact O-N 3.28Å; T432-S435 PolarHBondContact O-OG 3.17Å; T432-S435 VanDerWaalsContact O-OG 3.08Å; S435-E437 PolarHBondContact O-N 2.77Å; S435-Y438 PolarHBondContact O-N 2.84Å; S435-Y438 VanDerWaalsContact O-N 3.15Å; S435-R439 VanDerWaalsContact O-CB 3.29Å; S435-R439 WeakPolarHBondContact O-CB 3.25Å; S435-R439 PolarHBondContact O-N 2.91Å
436	P	84.6	Confident	88.5	Confident	105 Å²	105	60 Å²	60	68%	0.682	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-25.2	-178.6	19.9	-32.5	0	0	0	114.3
437	E	83.9	Confident	88.9	Confident	131 Å²	131	61.1 Å²	61.1	61%	0.612	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	-48.7	177.7	-60.2	177.5	164.1	0	0	112.3	S435	S435-E437 PolarHBondContact O-N 2.77Å
438	Y	85.8	Confident	89.3	Confident	41 Å²	41	56.6 Å²	56.6	16%	0.161	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.4	-16.5	-172.6	-58.1	-70.5	0	0	0	113.9	S435 R440 T441 T442	S435-Y438 PolarHBondContact O-N 2.84Å; S435-Y438 VanDerWaalsContact O-N 3.15Å; Y438-R440 VanDerWaalsContact C-N 3.25Å; Y438-R440 PolarHBondContact O-N 3.26Å; Y438-T441 WeakPolarHBondContact O-CB 3.2Å; Y438-T441 PolarHBondContact O-N 3.44Å; Y438-T442 PolarHBondContact O-N 3.17Å; Y438-T442 PolarHBondContact O-OG1 3.01Å; Y438-T442 VanDerWaalsContact O-OG1 3.05Å
439	R	89.1	Confident	89.8	Confident	141 Å²	141	54.1 Å²	54.1	53%	0.532	26%	0.257	S	S	.	.	H	α-helix	trans	-50.3	-40.7	-172.1	66.2	178.5	-179.2	172.7	3.5	114.1	S435 T442 Y443	S435-R439 VanDerWaalsContact O-CB 3.29Å; S435-R439 WeakPolarHBondContact O-CB 3.25Å; S435-R439 PolarHBondContact O-N 2.91Å; R439-T442 PolarHBondContact O-N 3.01Å; R439-Y443 HydrophobicContact CB-CD2 4.43Å; R439-Y443 HydrophobicContact CB-CE2 4.25Å; R439-Y443 WeakPolarHBondContact O-CD2 3.15Å; R439-Y443 PolarHBondContact O-N 3.34Å
440	R	90.2	Very high	90.3	Very high	162 Å²	162	56.7 Å²	56.7	61%	0.611	27%	0.267	S	S	*	.	H	α-helix	trans	-66.6	-47.3	-178	179.8	-179.4	168	180	-3.8	110.4	Y438 M444	Y438-R440 VanDerWaalsContact C-N 3.25Å; Y438-R440 PolarHBondContact O-N 3.26Å; R440-M444 HydrophobicContact CG-CE 3.88Å; R440-M444 HydrophobicContact CG-SD 4.2Å; R440-M444 WeakPolarHBondContact O-CB 3.27Å; R440-M444 VanDerWaalsContact O-CG 3.29Å; R440-M444 WeakPolarHBondContact O-CG 3.42Å; R440-M444 PolarHBondContact O-N 3.23Å; R440-M444 VanDerWaalsContact O-N 3.11Å
441	T	89.5	Confident	90.6	Very high	29 Å²	29	55.9 Å²	55.9	18%	0.178	27%	0.265	C	S	.	.	H	α-helix	trans	-62.5	-45.1	176.8	-53.3	0	0	0	0	110.3	Y438 M444 M445 L671 L728	Y438-T441 WeakPolarHBondContact O-CB 3.2Å; Y438-T441 PolarHBondContact O-N 3.44Å; T441-M444 PolarHBondContact O-N 3Å; T441-M445 HydrophobicContact CG2-CG 4.34Å; T441-M445 WeakPolarHBondContact O-CB 3.21Å; T441-M445 VanDerWaalsContact O-CG 3.3Å; T441-M445 WeakPolarHBondContact O-CG 3.27Å; T441-M445 PolarHBondContact O-N 3.4Å; T441-L671 HydrophobicContact CG2-CB 4.46Å; T441-L671 HydrophobicContact CG2-CD1 3.98Å; T441-L671 HydrophobicContact CG2-CD2 3.99Å; T441-L671 HydrophobicContact CG2-CG 4.39Å; T441-L728 HydrophobicContact CG2-CD2 4.11Å
442	T	92.4	Very high	90.8	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-58.9	-51.2	178	-52.2	0	0	0	0	111.9	I433 F434 Y438 R439 M444 M445 M446 Y672	I433-T442 HydrophobicContact CG2-CG2 3.68Å; I433-T442 WeakPolarHBondContact CG2-OG1 3.43Å; I433-T442 PolarHBondContact O-OG1 3.42Å; F434-T442 HydrophobicContact CD1-CG2 4.42Å; F434-T442 HydrophobicContact CE1-CG2 3.98Å; F434-T442 HydrophobicContact CZ-CG2 4.17Å; Y438-T442 PolarHBondContact O-N 3.17Å; Y438-T442 PolarHBondContact O-OG1 3.01Å; Y438-T442 VanDerWaalsContact O-OG1 3.05Å; R439-T442 PolarHBondContact O-N 3.01Å; T442-M444 VanDerWaalsContact C-N 3.33Å; T442-M444 PolarHBondContact O-N 3.12Å; T442-M445 PolarHBondContact O-N 3.25Å; T442-M446 HydrophobicContact CG2-CG 4.41Å; T442-M446 HydrophobicContact CG2-SD 4.1Å; T442-M446 WeakPolarHBondContact O-CB 3.24Å; T442-M446 WeakPolarHBondContact O-CG 3.27Å; T442-M446 PolarHBondContact O-N 3.06Å; T442-Y672 WeakPolarHBondContact CA-OH 3.31Å; T442-Y672 PolarHBondContact OG1-OH 2.88Å
443	Y	92.9	Very high	91.3	Very high	140 Å²	140	49 Å²	49	55%	0.549	23%	0.23	S	C	.	.	H	α-helix	trans	-62.9	-37.9	178.9	-74.4	-56.2	0	0	0	113	F434 R439 M446 A447	F434-Y443 HydrophobicContact CD1-CE1 4.4Å; F434-Y443 HydrophobicContact CE1-CE1 4.13Å; R439-Y443 HydrophobicContact CB-CD2 4.43Å; R439-Y443 HydrophobicContact CB-CE2 4.25Å; R439-Y443 WeakPolarHBondContact O-CD2 3.15Å; R439-Y443 PolarHBondContact O-N 3.34Å; Y443-M446 HydrophobicContact CD1-SD 4.06Å; Y443-M446 HydrophobicContact CE1-SD 4.5Å; Y443-A447 PolarHBondContact O-N 3.27Å; Y443-A447 VanDerWaalsContact O-N 3.12Å
444	M	92.7	Very high	91.6	Very high	28 Å²	28	50 Å²	50	14%	0.138	23%	0.234	C	C	.	.	H	α-helix	trans	-65.2	-47.1	175.1	-72.8	178.6	176.7	0	0	111.2	R440 T441 T442 M446 A447 V448 K727 L728	R440-M444 HydrophobicContact CG-CE 3.88Å; R440-M444 HydrophobicContact CG-SD 4.2Å; R440-M444 WeakPolarHBondContact O-CB 3.27Å; R440-M444 VanDerWaalsContact O-CG 3.29Å; R440-M444 WeakPolarHBondContact O-CG 3.42Å; R440-M444 PolarHBondContact O-N 3.23Å; R440-M444 VanDerWaalsContact O-N 3.11Å; T441-M444 PolarHBondContact O-N 3Å; T442-M444 VanDerWaalsContact C-N 3.33Å; T442-M444 PolarHBondContact O-N 3.12Å; M444-M446 VanDerWaalsContact C-N 3.35Å; M444-M446 PolarHBondContact O-N 3.11Å; M444-A447 PolarHBondContact O-N 3.19Å; M444-V448 WeakPolarHBondContact O-CG2 3.36Å; M444-V448 PolarHBondContact O-N 3.38Å; M444-K727 HydrophobicContact CE-CB 3.99Å; M444-K727 HydrophobicContact CE-CD 4.34Å; M444-K727 HydrophobicContact SD-CB 4.06Å; M444-L728 HydrophobicContact CB-CD2 3.64Å; M444-L728 HydrophobicContact CB-CG 4.25Å; M444-L728 HydrophobicContact SD-CD2 4.23Å
445	M	93.4	Very high	91.7	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-61.3	-42.4	176.7	-73	-61.2	-73.2	0	0	111.7	T441 T442 A447 V448 W449 L664 L667 T668 L671 L684 L728	T441-M445 HydrophobicContact CG2-CG 4.34Å; T441-M445 WeakPolarHBondContact O-CB 3.21Å; T441-M445 VanDerWaalsContact O-CG 3.3Å; T441-M445 WeakPolarHBondContact O-CG 3.27Å; T441-M445 PolarHBondContact O-N 3.4Å; T442-M445 PolarHBondContact O-N 3.25Å; M445-A447 VanDerWaalsContact C-N 3.32Å; M445-A447 PolarHBondContact O-N 3.19Å; M445-V448 PolarHBondContact O-N 3.27Å; M445-W449 WeakPolarHBondContact O-CB 3.29Å; M445-W449 VanDerWaalsContact O-CD1 3.25Å; M445-W449 PolarHBondContact O-N 2.99Å; M445-L664 HydrophobicContact CE-CD1 3.89Å; M445-L664 HydrophobicContact SD-CD1 4.5Å; M445-L667 HydrophobicContact SD-CD2 4.37Å; M445-T668 HydrophobicContact CE-CG2 4.34Å; M445-T668 WeakPolarHBondContact CE-OG1 3.37Å; M445-L671 HydrophobicContact CE-CD1 3.97Å; M445-L671 HydrophobicContact CG-CD1 3.85Å; M445-L671 HydrophobicContact SD-CD1 3.54Å; M445-L671 VanDerWaalsContact SD-CD1 3.54Å; M445-L684 HydrophobicContact CB-CD1 3.89Å; M445-L684 HydrophobicContact CB-CD2 3.93Å; M445-L684 HydrophobicContact CE-CD1 4.37Å; M445-L728 HydrophobicContact CG-CD1 4.46Å; M445-L728 HydrophobicContact CG-CD2 4.18Å; M445-L728 HydrophobicContact SD-CD1 3.49Å; M445-L728 WeakPolarHBondContact SD-CD1 3.22Å; M445-L728 HydrophobicContact SD-CD2 4.21Å
446	M	95.3	Very high	92	Very high	38 Å²	38	46.7 Å²	46.7	19%	0.187	22%	0.216	C	C	.	.	H	α-helix	trans	-56.5	-45.9	175.1	-74.1	172.3	72.2	0	0	111.7	F434 T442 Y443 M444 F450 F683 L684 L687	F434-M446 HydrophobicContact CE1-SD 4.02Å; F434-M446 HydrophobicContact CZ-SD 4.21Å; T442-M446 HydrophobicContact CG2-CG 4.41Å; T442-M446 HydrophobicContact CG2-SD 4.1Å; T442-M446 WeakPolarHBondContact O-CB 3.24Å; T442-M446 WeakPolarHBondContact O-CG 3.27Å; T442-M446 PolarHBondContact O-N 3.06Å; Y443-M446 HydrophobicContact CD1-SD 4.06Å; Y443-M446 HydrophobicContact CE1-SD 4.5Å; M444-M446 VanDerWaalsContact C-N 3.35Å; M444-M446 PolarHBondContact O-N 3.11Å; M446-F450 WeakPolarHBondContact O-CB 3.41Å; M446-F450 PolarHBondContact O-N 3.08Å; M446-F683 HydrophobicContact CE-CE1 4Å; M446-F683 HydrophobicContact CE-CZ 3.9Å; M446-F683 HydrophobicContact CG-CE1 4.05Å; M446-F683 HydrophobicContact SD-CE1 3.8Å; M446-F683 HydrophobicContact SD-CZ 4.29Å; M446-L684 HydrophobicContact CB-CD2 4.3Å; M446-L684 HydrophobicContact CG-CD2 3.67Å; M446-L687 HydrophobicContact CB-CD2 3.54Å; M446-L687 HydrophobicContact CE-CD2 4Å; M446-L687 HydrophobicContact CG-CD2 3.75Å; M446-L687 WeakPolarHBondContact O-CD2 3.41Å
447	A	94.7	Very high	92.2	Very high	35 Å²	35	42.8 Å²	42.8	29%	0.289	19%	0.188	S	C	.	.	H	α-helix	trans	-65.9	-41.5	179	0	0	0	0	0	112.3	Y443 M444 M445 S451 L724	Y443-A447 PolarHBondContact O-N 3.27Å; Y443-A447 VanDerWaalsContact O-N 3.12Å; M444-A447 PolarHBondContact O-N 3.19Å; M445-A447 VanDerWaalsContact C-N 3.32Å; M445-A447 PolarHBondContact O-N 3.19Å; A447-S451 VanDerWaalsContact O-CB 3.26Å; A447-S451 WeakPolarHBondContact O-CB 3.24Å; A447-S451 PolarHBondContact O-N 3.28Å; A447-S451 PolarHBondContact O-OG 2.87Å; A447-L724 HydrophobicContact CB-CD1 3.56Å
448	V	94.8	Very high	92.5	Very high	3 Å²	3	36.6 Å²	36.6	2%	0.018	16%	0.159	C	C	.	.	H	α-helix	trans	-64.4	-52.2	177.1	176.9	0	0	0	0	110.6	M444 M445 F450 S451 M452 L623 L664 L724 A725	M444-V448 WeakPolarHBondContact O-CG2 3.36Å; M444-V448 PolarHBondContact O-N 3.38Å; M445-V448 PolarHBondContact O-N 3.27Å; V448-F450 VanDerWaalsContact C-N 3.34Å; V448-F450 PolarHBondContact O-N 3.48Å; V448-S451 PolarHBondContact O-N 3.28Å; V448-S451 PolarHBondContact O-OG 3.41Å; V448-M452 WeakPolarHBondContact O-CB 3.19Å; V448-M452 PolarHBondContact O-N 3.38Å; V448-L623 HydrophobicContact CG1-CD2 4.29Å; V448-L664 HydrophobicContact CB-CD1 4.44Å; V448-L664 HydrophobicContact CG1-CD1 3.63Å; V448-L664 HydrophobicContact CG1-CD2 4.34Å; V448-L724 HydrophobicContact CG2-CB 4.3Å; V448-A725 HydrophobicContact CG2-CB 4.06Å
449	W	95.1	Very high	92.5	Very high	3 Å²	3	34.6 Å²	34.6	1%	0.011	15%	0.151	C	C	.	.	H	α-helix	trans	-56.7	-45.2	176.7	-87.7	97.5	0	0	0	112.5	M445 S453 W661 L664 D665 T668 F681 L684 C688	M445-W449 WeakPolarHBondContact O-CB 3.29Å; M445-W449 VanDerWaalsContact O-CD1 3.25Å; M445-W449 PolarHBondContact O-N 2.99Å; W449-S453 WeakPolarHBondContact O-CB 3.32Å; W449-S453 PolarHBondContact O-N 3Å; W449-W661 AromaticContact CE3-CZ3 3.84Å; W449-W661 HydrophobicContact CE3-CZ3 3.84Å; W449-W661 HydrophobicContact CZ3-CE3 4.3Å; W449-W661 AromaticContact CZ3-CZ3 3.65Å; W449-W661 HydrophobicContact CZ3-CZ3 3.65Å; W449-L664 HydrophobicContact CD2-CD2 3.55Å; W449-L664 HydrophobicContact CD2-CG 4.01Å; W449-L664 HydrophobicContact CE3-CD2 3.85Å; W449-L664 HydrophobicContact CG-CD2 3.86Å; W449-L664 HydrophobicContact CG-CG 4.34Å; W449-L664 HydrophobicContact CZ2-CD2 4.21Å; W449-L664 HydrophobicContact CZ2-CG 3.94Å; W449-L664 HydrophobicContact CZ3-CD2 4.35Å; W449-D665 WeakPolarHBondContact CH2-OD1 3.32Å; W449-T668 PolarHBondContact NE1-OG1 3.2Å; W449-F681 HydrophobicContact CH2-CD2 4.48Å; W449-F681 AromaticContact CH2-CE2 3.62Å; W449-F681 HydrophobicContact CH2-CE2 3.62Å; W449-F681 HydrophobicContact CH2-CZ 4.39Å; W449-F681 HydrophobicContact CZ2-CD2 4.11Å; W449-F681 AromaticContact CZ2-CE2 3.5Å; W449-F681 HydrophobicContact CZ2-CE2 3.5Å; W449-F681 HydrophobicContact CZ2-CZ 4.28Å; W449-L684 HydrophobicContact CD2-CB 4.37Å; W449-L684 HydrophobicContact CG-CB 4.16Å; W449-C688 HydrophobicContact CE3-CB 3.51Å; W449-C688 HydrophobicContact CZ3-CB 3.93Å
450	F	95.7	Very high	92.3	Very high	71 Å²	71	30.5 Å²	30.5	31%	0.311	14%	0.142	S	C	.	.	H	α-helix	trans	-63	-53.3	178.4	-176.2	-82.8	0	0	0	111.5	M446 V448 M452 S453 F454 L687 A691 L694	M446-F450 WeakPolarHBondContact O-CB 3.41Å; M446-F450 PolarHBondContact O-N 3.08Å; V448-F450 VanDerWaalsContact C-N 3.34Å; V448-F450 PolarHBondContact O-N 3.48Å; F450-M452 VanDerWaalsContact C-N 3.3Å; F450-M452 PolarHBondContact O-N 2.65Å; F450-S453 PolarHBondContact O-N 3.35Å; F450-F454 HydrophobicContact CE1-CB 4.33Å; F450-F454 HydrophobicContact CE1-CG 4.48Å; F450-F454 WeakPolarHBondContact O-CB 3.28Å; F450-F454 PolarHBondContact O-N 2.87Å; F450-L687 HydrophobicContact CB-CD2 4.44Å; F450-L687 HydrophobicContact CD2-CD1 4.19Å; F450-L687 HydrophobicContact CD2-CG 4.38Å; F450-A691 HydrophobicContact CB-CB 4.42Å; F450-A691 HydrophobicContact CD1-CB 4.5Å; F450-A691 HydrophobicContact CD2-CB 3.48Å; F450-A691 VanDerWaalsContact CD2-CB 3.48Å; F450-A691 HydrophobicContact CE2-CB 3.7Å; F450-A691 HydrophobicContact CG-CB 3.91Å; F450-A691 HydrophobicContact CZ-CB 4.3Å; F450-L694 HydrophobicContact CE2-CD1 4.16Å; F450-L694 HydrophobicContact CZ-CD1 4.25Å
451	S	94.6	Very high	91.9	Very high	11 Å²	11	25.1 Å²	25.1	8%	0.077	13%	0.127	C	C	.	.	H	α-helix	trans	-60.3	-41.5	-177.2	62.7	0	0	0	0	112.3	A447 V448 S455 A717 G721	A447-S451 VanDerWaalsContact O-CB 3.26Å; A447-S451 WeakPolarHBondContact O-CB 3.24Å; A447-S451 PolarHBondContact O-N 3.28Å; A447-S451 PolarHBondContact O-OG 2.87Å; V448-S451 PolarHBondContact O-N 3.28Å; V448-S451 PolarHBondContact O-OG 3.41Å; S451-S455 PolarHBondContact O-N 2.91Å; S451-S455 PolarHBondContact O-OG 3.02Å; S451-A717 WeakPolarHBondContact CB-O 3.32Å; S451-G721 VanDerWaalsContact OG-CA 3.28Å; S451-G721 WeakPolarHBondContact OG-CA 3.43Å
452	M	93.1	Very high	91.8	Very high	4 Å²	4	23.8 Å²	23.8	2%	0.02	12%	0.119	C	C	.	.	H	α-helix	trans	-69.9	-44.1	-178.6	-172	162.1	-176	0	0	111.9	V448 F450 Y456 L623 S657 W661 L664	V448-M452 WeakPolarHBondContact O-CB 3.19Å; V448-M452 PolarHBondContact O-N 3.38Å; F450-M452 VanDerWaalsContact C-N 3.3Å; F450-M452 PolarHBondContact O-N 2.65Å; M452-Y456 WeakPolarHBondContact O-CB 3.33Å; M452-Y456 PolarHBondContact O-N 3.4Å; M452-L623 HydrophobicContact SD-CD1 4.44Å; M452-S657 VanDerWaalsContact CE-O 3.27Å; M452-S657 WeakPolarHBondContact CE-O 3.25Å; M452-W661 HydrophobicContact CB-CH2 4.44Å; M452-W661 HydrophobicContact CE-CB 4.1Å; M452-W661 HydrophobicContact CE-CD2 3.53Å; M452-W661 HydrophobicContact CE-CE3 4.29Å; M452-W661 HydrophobicContact CE-CG 3.39Å; M452-W661 HydrophobicContact CE-CZ2 4.44Å; M452-W661 HydrophobicContact CG-CD2 4.23Å; M452-W661 HydrophobicContact CG-CE3 4.48Å; M452-W661 HydrophobicContact CG-CH2 4.1Å; M452-W661 HydrophobicContact CG-CZ2 3.83Å; M452-W661 HydrophobicContact CG-CZ3 4.41Å; M452-W661 HydrophobicContact SD-CD2 4.11Å; M452-W661 HydrophobicContact SD-CE3 4.3Å; M452-W661 HydrophobicContact SD-CG 4.44Å; M452-L664 HydrophobicContact SD-CD2 3.99Å
453	S	93.9	Very high	91.2	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-64.5	-48.2	176.5	-175.1	0	0	0	0	112.9	W449 F450 S455 Y456 Y457 C688 A692	W449-S453 WeakPolarHBondContact O-CB 3.32Å; W449-S453 PolarHBondContact O-N 3Å; F450-S453 PolarHBondContact O-N 3.35Å; S453-S455 VanDerWaalsContact C-N 3.3Å; S453-S455 PolarHBondContact O-N 3.38Å; S453-Y456 PolarHBondContact O-N 2.95Å; S453-Y457 PolarHBondContact O-N 2.63Å; S453-Y457 WeakPolarHBondContact OG-CD2 3.34Å; S453-C688 WeakPolarHBondContact CB-O 3.29Å; S453-C688 WeakPolarHBondContact CB-SG 3.46Å; S453-C688 PolarHBondContact OG-O 2.84Å; S453-C688 PolarHBondContact OG-SG 2.9Å; S453-C688 VanDerWaalsContact OG-SG 3.34Å; S453-A692 PolarHBondContact OG-N 2.98Å
454	F	94.6	Very high	90.4	Very high	21 Å²	21	20.5 Å²	20.5	9%	0.092	11%	0.114	C	C	.	.	H	α-helix	trans	-54.6	-47.4	179.4	178.5	-100.2	0	0	0	111.4	F450 G458 A691 G695 I698 F699 F713 A717	F450-F454 HydrophobicContact CE1-CB 4.33Å; F450-F454 HydrophobicContact CE1-CG 4.48Å; F450-F454 WeakPolarHBondContact O-CB 3.28Å; F450-F454 PolarHBondContact O-N 2.87Å; F454-G458 WeakPolarHBondContact O-CA 3.28Å; F454-G458 PolarHBondContact O-N 2.98Å; F454-A691 HydrophobicContact CB-CB 4.36Å; F454-G695 VanDerWaalsContact CD2-CA 3.46Å; F454-G695 VanDerWaalsContact CE2-CA 3.49Å; F454-I698 HydrophobicContact CE2-CD1 4.07Å; F454-I698 HydrophobicContact CZ-CD1 4.45Å; F454-F699 HydrophobicContact CD1-CZ 4.05Å; F454-F699 AromaticContact CE1-CE1 3.6Å; F454-F699 HydrophobicContact CE1-CE1 3.6Å; F454-F699 AromaticContact CE1-CZ 3.49Å; F454-F699 HydrophobicContact CE1-CZ 3.49Å; F454-F699 VanDerWaalsContact CE1-CZ 3.49Å; F454-F699 HydrophobicContact CE2-CE1 4.35Å; F454-F699 HydrophobicContact CZ-CD1 4.44Å; F454-F699 AromaticContact CZ-CE1 3.49Å; F454-F699 HydrophobicContact CZ-CE1 3.49Å; F454-F699 VanDerWaalsContact CZ-CE1 3.49Å; F454-F699 AromaticContact CZ-CZ 3.84Å; F454-F699 HydrophobicContact CZ-CZ 3.84Å; F454-F713 HydrophobicContact CE1-CB 4.4Å; F454-A717 HydrophobicContact CD1-CB 4.25Å
455	S	93.5	Very high	89.7	Confident	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-72.8	-48	179.7	-62.2	0	0	0	0	112.9	S451 S453 L459 A714	S451-S455 PolarHBondContact O-N 2.91Å; S451-S455 PolarHBondContact O-OG 3.02Å; S453-S455 VanDerWaalsContact C-N 3.3Å; S453-S455 PolarHBondContact O-N 3.38Å; S455-L459 VanDerWaalsContact O-CB 3.23Å; S455-L459 WeakPolarHBondContact O-CB 3.41Å; S455-L459 VanDerWaalsContact O-CG 3.28Å; S455-L459 WeakPolarHBondContact O-CG 3.33Å; S455-L459 PolarHBondContact O-N 3.32Å; S455-A714 VanDerWaalsContact OG-CA 3.27Å; S455-A714 WeakPolarHBondContact OG-CA 3.42Å; S455-A714 PolarHBondContact OG-O 3.4Å
456	Y	91.4	Very high	89.2	Confident	18 Å²	18	22.4 Å²	22.4	7%	0.071	13%	0.125	C	C	.	.	H	α-helix	trans	-68.6	-54.5	-173.3	179.8	-97.1	0	0	0	112.4	M452 S453 T460 F653 W661	M452-Y456 WeakPolarHBondContact O-CB 3.33Å; M452-Y456 PolarHBondContact O-N 3.4Å; S453-Y456 PolarHBondContact O-N 2.95Å; Y456-T460 VanDerWaalsContact O-CB 3.25Å; Y456-T460 WeakPolarHBondContact O-CB 3.06Å; Y456-T460 PolarHBondContact O-N 3.42Å; Y456-T460 PolarHBondContact O-OG1 3.5Å; Y456-F653 HydrophobicContact CD2-CE1 4.17Å; Y456-F653 HydrophobicContact CD2-CZ 4.49Å; Y456-W661 AromaticContact CD1-CE2 3.94Å; Y456-W661 HydrophobicContact CD1-CZ2 4.03Å; Y456-W661 AromaticContact CD1-NE1 3.35Å; Y456-W661 VanDerWaalsContact CD1-NE1 3.35Å; Y456-W661 AromaticContact CD2-NE1 3.45Å; Y456-W661 AromaticContact CE1-NE1 3.79Å; Y456-W661 AromaticContact CE2-NE1 3.87Å; Y456-W661 AromaticContact CG-CE2 3.95Å; Y456-W661 HydrophobicContact CG-CZ2 4.12Å; Y456-W661 AromaticContact CG-NE1 3.17Å
457	Y	89.6	Confident	88.4	Confident	23 Å²	23	21.6 Å²	21.6	9%	0.09	12%	0.121	C	C	.	.	H	α-helix	trans	-71.4	-37.8	-178.2	-70.7	-72	0	0	0	111.5	Y208 S453 T460 V461 W661 K689 A692	Y208-Y457 HydrophobicContact CE1-CD1 4.2Å; Y208-Y457 HydrophobicContact CE1-CE1 4.16Å; S453-Y457 PolarHBondContact O-N 2.63Å; S453-Y457 WeakPolarHBondContact OG-CD2 3.34Å; Y457-T460 PolarHBondContact O-N 3.49Å; Y457-V461 PolarHBondContact O-N 3.1Å; Y457-W661 HydrophobicContact CD2-CZ2 4.34Å; Y457-W661 HydrophobicContact CE2-CH2 4.06Å; Y457-W661 AromaticContact CE2-CZ2 3.98Å; Y457-W661 HydrophobicContact CE2-CZ2 3.98Å; Y457-K689 PolarHBondContact OH-NZ 2.85Å; Y457-A692 HydrophobicContact CD2-CB 3.65Å; Y457-A692 HydrophobicContact CE2-CB 4.41Å; Y457-A692 HydrophobicContact CG-CB 3.82Å
458	G	89.6	Confident	87.5	Confident	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-57.7	-52.6	175.2	0	0	0	0	0	111.8	F454 W462	F454-G458 WeakPolarHBondContact O-CA 3.28Å; F454-G458 PolarHBondContact O-N 2.98Å; G458-W462 WeakPolarHBondContact O-CB 3.22Å; G458-W462 PolarHBondContact O-N 2.9Å
459	L	87.4	Confident	86.9	Confident	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-67.5	-42.6	-179.6	-74.8	178.4	0	0	0	112.3	S455 V461 W462 F463 C634 F653 F699 A714	S455-L459 VanDerWaalsContact O-CB 3.23Å; S455-L459 WeakPolarHBondContact O-CB 3.41Å; S455-L459 VanDerWaalsContact O-CG 3.28Å; S455-L459 WeakPolarHBondContact O-CG 3.33Å; S455-L459 PolarHBondContact O-N 3.32Å; L459-V461 PolarHBondContact O-N 2.85Å; L459-W462 HydrophobicContact CD2-CE3 3.95Å; L459-W462 HydrophobicContact CD2-CZ3 4.34Å; L459-W462 PolarHBondContact O-N 2.92Å; L459-W462 VanDerWaalsContact O-N 3.16Å; L459-F463 HydrophobicContact CB-CD2 4.07Å; L459-F463 HydrophobicContact CB-CE2 3.82Å; L459-F463 HydrophobicContact CD1-CE2 4.39Å; L459-F463 HydrophobicContact CD2-CE2 3.98Å; L459-F463 HydrophobicContact CD2-CZ 4.39Å; L459-F463 HydrophobicContact CG-CE2 4.28Å; L459-F463 WeakPolarHBondContact O-CD2 3.38Å; L459-F463 PolarHBondContact O-N 3.21Å; L459-C634 VanDerWaalsContact CD1-SG 3.52Å; L459-F653 HydrophobicContact CB-CE1 4.21Å; L459-F653 HydrophobicContact CD1-CE1 4Å; L459-F653 HydrophobicContact CD1-CE2 4.29Å; L459-F653 HydrophobicContact CD1-CZ 3.79Å; L459-F699 HydrophobicContact CD2-CD2 4.22Å; L459-F699 HydrophobicContact CD2-CE2 4.15Å; L459-F699 HydrophobicContact CG-CD2 4.4Å; L459-F699 HydrophobicContact CG-CE2 4.03Å; L459-A714 HydrophobicContact CD1-CB 3.51Å; L459-A714 HydrophobicContact CD2-CB 4.09Å; L459-A714 HydrophobicContact CG-CB 3.76Å
460	T	83.8	Confident	86.1	Confident	54 Å²	54	31 Å²	31	33%	0.331	16%	0.155	S	C	.	.	H	α-helix	trans	-58	-36.3	-178.7	-59.4	0	0	0	0	112.4	Y456 Y457 P464	Y456-T460 VanDerWaalsContact O-CB 3.25Å; Y456-T460 WeakPolarHBondContact O-CB 3.06Å; Y456-T460 PolarHBondContact O-N 3.42Å; Y456-T460 PolarHBondContact O-OG1 3.5Å; Y457-T460 PolarHBondContact O-N 3.49Å; T460-P464 WeakPolarHBondContact O-CD 2.85Å
461	V	82.8	Confident	85.2	Confident	50 Å²	50	31.7 Å²	31.7	30%	0.303	16%	0.16	S	C	.	.	H	α-helix	trans	-82	-39.1	175	177.5	0	0	0	0	112	Y457 L459 F463 P464 I696 T700	Y457-V461 PolarHBondContact O-N 3.1Å; L459-V461 PolarHBondContact O-N 2.85Å; V461-F463 VanDerWaalsContact C-N 3.34Å; V461-F463 PolarHBondContact O-N 3.42Å; V461-P464 WeakPolarHBondContact O-CD 3.46Å; V461-I696 HydrophobicContact CB-CG1 4.19Å; V461-I696 HydrophobicContact CB-CG2 4.41Å; V461-I696 HydrophobicContact CG1-CG2 4Å; V461-I696 HydrophobicContact CG2-CD1 4.02Å; V461-I696 HydrophobicContact CG2-CG1 3.92Å; V461-T700 HydrophobicContact CG1-CG2 4.27Å
462	W	86.8	Confident	84.3	Confident	1 Å²	1	38.4 Å²	38.4	0%	0.004	19%	0.187	C	C	.	.	H	α-helix	trans	-63.7	-35.6	-178.8	176	77.6	0	0	0	113.8	G458 L459 D465 M466 F699 K707 P710 I711	G458-W462 WeakPolarHBondContact O-CB 3.22Å; G458-W462 PolarHBondContact O-N 2.9Å; L459-W462 HydrophobicContact CD2-CE3 3.95Å; L459-W462 HydrophobicContact CD2-CZ3 4.34Å; L459-W462 PolarHBondContact O-N 2.92Å; L459-W462 VanDerWaalsContact O-N 3.16Å; W462-D465 PolarHBondContact O-N 3.02Å; W462-M466 HydrophobicContact CH2-CE 4.19Å; W462-M466 HydrophobicContact CZ2-CE 3.32Å; W462-M466 HydrophobicContact CZ2-CG 4.39Å; W462-M466 WeakPolarHBondContact O-CB 3.25Å; W462-M466 PolarHBondContact O-N 3.34Å; W462-F699 HydrophobicContact CB-CB 4Å; W462-F699 HydrophobicContact CG-CB 4.11Å; W462-F699 PolarHBondContact NE1-O 2.83Å; W462-K707 HydrophobicContact CH2-CB 4.33Å; W462-K707 HydrophobicContact CZ2-CB 4.49Å; W462-P710 HydrophobicContact CD2-CB 4.35Å; W462-P710 HydrophobicContact CZ2-CB 4.18Å; W462-P710 HydrophobicContact CZ2-CG 4.02Å; W462-I711 HydrophobicContact CH2-CD1 3.94Å; W462-I711 HydrophobicContact CH2-CG1 3.92Å; W462-I711 HydrophobicContact CZ3-CD1 4.2Å; W462-I711 HydrophobicContact CZ3-CG1 4Å
463	F	80.1	Confident	83.7	Confident	1 Å²	1	42.8 Å²	42.8	0%	0.004	21%	0.208	C	C	.	.	H	α-helix	trans	-62.9	-53.2	-176.5	-86.6	-65.1	0	0	0	113.9	L459 V461 D465 M466 I467 L637 M646 L650	L459-F463 HydrophobicContact CB-CD2 4.07Å; L459-F463 HydrophobicContact CB-CE2 3.82Å; L459-F463 HydrophobicContact CD1-CE2 4.39Å; L459-F463 HydrophobicContact CD2-CE2 3.98Å; L459-F463 HydrophobicContact CD2-CZ 4.39Å; L459-F463 HydrophobicContact CG-CE2 4.28Å; L459-F463 WeakPolarHBondContact O-CD2 3.38Å; L459-F463 PolarHBondContact O-N 3.21Å; V461-F463 VanDerWaalsContact C-N 3.34Å; V461-F463 PolarHBondContact O-N 3.42Å; F463-D465 VanDerWaalsContact C-N 3.26Å; F463-D465 PolarHBondContact O-N 3.32Å; F463-M466 PolarHBondContact O-N 3.16Å; F463-I467 WeakPolarHBondContact O-CG1 3.49Å; F463-I467 PolarHBondContact O-N 2.96Å; F463-L637 HydrophobicContact CE1-CB 4.31Å; F463-L637 HydrophobicContact CE1-CD1 4.27Å; F463-L637 HydrophobicContact CE1-CD2 3.72Å; F463-L637 HydrophobicContact CE1-CG 4.32Å; F463-L637 HydrophobicContact CE2-CD1 3.7Å; F463-L637 HydrophobicContact CE2-CD2 4.42Å; F463-L637 HydrophobicContact CZ-CB 3.91Å; F463-L637 HydrophobicContact CZ-CD1 3.28Å; F463-L637 HydrophobicContact CZ-CD2 3.57Å; F463-L637 HydrophobicContact CZ-CG 3.76Å; F463-M646 HydrophobicContact CD1-CE 3.76Å; F463-M646 HydrophobicContact CE1-CE 3.99Å; F463-L650 HydrophobicContact CB-CD1 4.46Å; F463-L650 HydrophobicContact CB-CD2 3.76Å; F463-L650 HydrophobicContact CD2-CD1 3.45Å; F463-L650 VanDerWaalsContact CD2-CD1 3.45Å; F463-L650 HydrophobicContact CD2-CD2 4.28Å; F463-L650 HydrophobicContact CD2-CG 4.3Å; F463-L650 HydrophobicContact CE2-CD1 3.97Å; F463-L650 HydrophobicContact CG-CD1 4.12Å; F463-L650 HydrophobicContact CG-CD2 4.12Å
464	P	76.6	Confident	83	Confident	69 Å²	69	47.4 Å²	47.4	45%	0.448	23%	0.229	S	C	.	.	H	α-helix	trans	-53.7	-42	173.8	-27.9	34.1	0	0	0	113.2	T460 V461 I467 K468	T460-P464 WeakPolarHBondContact O-CD 2.85Å; V461-P464 WeakPolarHBondContact O-CD 3.46Å; P464-I467 PolarHBondContact O-N 2.85Å; P464-K468 WeakPolarHBondContact O-CB 3.39Å; P464-K468 PolarHBondContact O-N 3.46Å
465	D	77.8	Confident	82.2	Confident	65 Å²	65	50.5 Å²	50.5	35%	0.348	24%	0.241	S	C	.	.	H	α-helix	trans	-66.8	-38.9	178.8	-75.6	-20.6	0	0	0	112.2	W462 F463 K468 Y469 V703	W462-D465 PolarHBondContact O-N 3.02Å; F463-D465 VanDerWaalsContact C-N 3.26Å; F463-D465 PolarHBondContact O-N 3.32Å; D465-K468 PolarHBondContact O-N 3.39Å; D465-Y469 WeakPolarHBondContact O-CB 3.37Å; D465-Y469 PolarHBondContact O-N 3.27Å; D465-V703 HydrophobicContact CB-CG2 4.1Å
466	M	81.7	Confident	81.4	Confident	3 Å²	3	53.1 Å²	53.1	2%	0.015	26%	0.263	C	S	.	.	H	α-helix	trans	-66.7	-39.8	174	-176	60.8	74.2	0	0	111.9	W462 F463 Y469 L470 M646 K707	W462-M466 HydrophobicContact CH2-CE 4.19Å; W462-M466 HydrophobicContact CZ2-CE 3.32Å; W462-M466 HydrophobicContact CZ2-CG 4.39Å; W462-M466 WeakPolarHBondContact O-CB 3.25Å; W462-M466 PolarHBondContact O-N 3.34Å; F463-M466 PolarHBondContact O-N 3.16Å; M466-Y469 WeakPolarHBondContact O-CB 3.39Å; M466-Y469 PolarHBondContact O-N 3.44Å; M466-Y469 HydrophobicContact SD-CD1 4.13Å; M466-L470 HydrophobicContact CG-CD1 4.46Å; M466-L470 WeakPolarHBondContact O-CG 3.14Å; M466-L470 PolarHBondContact O-N 2.84Å; M466-M646 HydrophobicContact CB-CE 4.39Å; M466-M646 HydrophobicContact CG-CE 3.94Å; M466-K707 HydrophobicContact CE-CG 3.9Å; M466-K707 HydrophobicContact SD-CG 4.17Å
467	I	78.3	Confident	81	Confident	21 Å²	21	56.9 Å²	56.9	11%	0.108	29%	0.292	C	S	.	.	H	α-helix	trans	-62.3	-47.7	174.4	-69	167.9	0	0	0	109.9	F463 P464 Y469 L470 Q471 E643 M646 I647	F463-I467 WeakPolarHBondContact O-CG1 3.49Å; F463-I467 PolarHBondContact O-N 2.96Å; P464-I467 PolarHBondContact O-N 2.85Å; I467-Y469 VanDerWaalsContact C-N 3.25Å; I467-Y469 PolarHBondContact O-N 2.99Å; I467-L470 PolarHBondContact O-N 3Å; I467-L470 VanDerWaalsContact O-N 3.14Å; I467-Q471 HydrophobicContact CG2-CG 4.39Å; I467-Q471 WeakPolarHBondContact O-CG 3.35Å; I467-Q471 PolarHBondContact O-N 3.46Å; I467-E643 HydrophobicContact CG2-CG 3.97Å; I467-M646 HydrophobicContact CG1-CE 4.35Å; I467-I647 HydrophobicContact CD1-CD1 4.47Å; I467-I647 HydrophobicContact CD1-CG1 3.82Å
468	K	76.6	Confident	80.7	Confident	126 Å²	126	63.6 Å²	63.6	55%	0.548	32%	0.317	S	S	.	.	H	α-helix	trans	-58.2	-39.5	175.7	-173.9	179.1	-179.5	-177.8	0	111.5	P464 D465 K472	P464-K468 WeakPolarHBondContact O-CB 3.39Å; P464-K468 PolarHBondContact O-N 3.46Å; D465-K468 PolarHBondContact O-N 3.39Å; K468-K472 WeakPolarHBondContact O-CB 3.25Å; K468-K472 PolarHBondContact O-N 2.84Å
469	Y	81.3	Confident	80.5	Confident	73 Å²	73	65.5 Å²	65.5	29%	0.286	33%	0.328	S	S	.	.	H	α-helix	trans	-63.9	-45.9	174.7	177.5	-99	0	0	0	112.5	D465 M466 I467 K472 Q473 V703 G704	D465-Y469 WeakPolarHBondContact O-CB 3.37Å; D465-Y469 PolarHBondContact O-N 3.27Å; M466-Y469 WeakPolarHBondContact O-CB 3.39Å; M466-Y469 PolarHBondContact O-N 3.44Å; M466-Y469 HydrophobicContact SD-CD1 4.13Å; I467-Y469 VanDerWaalsContact C-N 3.25Å; I467-Y469 PolarHBondContact O-N 2.99Å; Y469-K472 WeakPolarHBondContact O-CB 3.22Å; Y469-K472 PolarHBondContact O-N 3.28Å; Y469-Q473 HydrophobicContact CD1-CG 4.41Å; Y469-Q473 VanDerWaalsContact CE1-CD 3.46Å; Y469-Q473 HydrophobicContact CE1-CG 3.92Å; Y469-Q473 VanDerWaalsContact CE1-NE2 3.3Å; Y469-Q473 HydrophobicContact CE2-CG 4.41Å; Y469-Q473 PolarHBondContact O-N 3.3Å; Y469-Q473 PolarHBondContact OH-NE2 3.42Å; Y469-V703 HydrophobicContact CD2-CG1 4.49Å; Y469-V703 HydrophobicContact CG-CG1 4.23Å; Y469-G704 WeakPolarHBondContact OH-CA 3.43Å; Y469-G704 PolarHBondContact OH-O 3.29Å
470	L	78.4	Confident	80.6	Confident	40 Å²	40	71.7 Å²	71.7	21%	0.209	36%	0.355	C	S	.	.	H	α-helix	trans	-63	-43.6	177.2	-70	171.4	0	0	0	111.6	M466 I467 K472 Q473 E474 M646	M466-L470 HydrophobicContact CG-CD1 4.46Å; M466-L470 WeakPolarHBondContact O-CG 3.14Å; M466-L470 PolarHBondContact O-N 2.84Å; I467-L470 PolarHBondContact O-N 3Å; I467-L470 VanDerWaalsContact O-N 3.14Å; L470-K472 VanDerWaalsContact C-N 3.3Å; L470-K472 PolarHBondContact O-N 3.34Å; L470-Q473 PolarHBondContact O-N 3.03Å; L470-E474 PolarHBondContact O-N 3.3Å; L470-M646 HydrophobicContact CD1-SD 3.73Å
471	Q	78.1	Confident	80.8	Confident	86 Å²	86	73.1 Å²	73.1	40%	0.402	36%	0.364	S	S	.	.	H	α-helix	trans	-60.2	-40.6	173.9	-72.2	176.7	-14.7	0	0	111.5	I467 E474 Y475 E643	I467-Q471 HydrophobicContact CG2-CG 4.39Å; I467-Q471 WeakPolarHBondContact O-CG 3.35Å; I467-Q471 PolarHBondContact O-N 3.46Å; Q471-E474 PolarHBondContact O-N 3.15Å; Q471-Y475 VanDerWaalsContact O-CB 3.29Å; Q471-Y475 WeakPolarHBondContact O-CB 3.48Å; Q471-Y475 PolarHBondContact O-N 3.3Å; Q471-E643 VanDerWaalsContact NE2-CD 3.26Å; Q471-E643 PolarHBondContact NE2-OE1 3.44Å; Q471-E643 PolarHBondContact NE2-OE2 3.14Å
472	K	75.9	Confident	81.3	Confident	151 Å²	151	74.3 Å²	74.3	66%	0.657	37%	0.365	S	S	*	.	H	α-helix	trans	-64.9	-39.6	175.4	-173.8	178.3	180	179.3	0	112.1	K468 Y469 L470 Y475 A476	K468-K472 WeakPolarHBondContact O-CB 3.25Å; K468-K472 PolarHBondContact O-N 2.84Å; Y469-K472 WeakPolarHBondContact O-CB 3.22Å; Y469-K472 PolarHBondContact O-N 3.28Å; L470-K472 VanDerWaalsContact C-N 3.3Å; L470-K472 PolarHBondContact O-N 3.34Å; K472-Y475 PolarHBondContact O-N 3.49Å; K472-A476 VanDerWaalsContact O-CB 3.31Å; K472-A476 WeakPolarHBondContact O-CB 3.41Å; K472-A476 PolarHBondContact O-N 3.28Å
473	Q	80.1	Confident	81.5	Confident	97 Å²	97	78.5 Å²	78.5	45%	0.453	39%	0.39	S	S	.	.	H	α-helix	trans	-66.4	-43.1	175	-76.2	-163.7	-24.4	0	0	112.2	Y469 L470 Y475 A476 S477	Y469-Q473 HydrophobicContact CD1-CG 4.41Å; Y469-Q473 VanDerWaalsContact CE1-CD 3.46Å; Y469-Q473 HydrophobicContact CE1-CG 3.92Å; Y469-Q473 VanDerWaalsContact CE1-NE2 3.3Å; Y469-Q473 HydrophobicContact CE2-CG 4.41Å; Y469-Q473 PolarHBondContact O-N 3.3Å; Y469-Q473 PolarHBondContact OH-NE2 3.42Å; L470-Q473 PolarHBondContact O-N 3.03Å; Q473-Y475 VanDerWaalsContact C-N 3.32Å; Q473-A476 PolarHBondContact O-N 3.48Å; Q473-S477 PolarHBondContact O-N 2.95Å
474	E	79.5	Confident	82.1	Confident	96 Å²	96	85.8 Å²	85.8	45%	0.449	42%	0.422	S	S	.	.	H	α-helix	trans	-65.2	-38.2	176.3	-174	175.3	-174.1	0	0	111.7	L470 Q471 S477 R478	L470-E474 PolarHBondContact O-N 3.3Å; Q471-E474 PolarHBondContact O-N 3.15Å; E474-S477 PolarHBondContact O-N 3.48Å; E474-S477 PolarHBondContact O-OG 3.45Å; E474-R478 WeakPolarHBondContact O-CG 2.98Å; E474-R478 PolarHBondContact O-N 2.86Å; E474-R478 IonicContact OE1-CZ 3.48Å; E474-R478 IonicContact OE1-NE 3.76Å; E474-R478 IonicContact OE1-NH2 2.66Å; E474-R478 PolarHBondContact OE1-NH2 2.87Å
475	Y	76.5	Confident	82.7	Confident	87 Å²	87	84.4 Å²	84.4	34%	0.341	41%	0.41	S	S	.	.	H	α-helix	trans	-62.2	-47.6	171.4	-173.2	-95.6	0	0	0	110.7	Q471 K472 Q473 S477 R478 N498	Q471-Y475 VanDerWaalsContact O-CB 3.29Å; Q471-Y475 WeakPolarHBondContact O-CB 3.48Å; Q471-Y475 PolarHBondContact O-N 3.3Å; K472-Y475 PolarHBondContact O-N 3.49Å; Q473-Y475 VanDerWaalsContact C-N 3.32Å; Y475-S477 VanDerWaalsContact C-N 3.34Å; Y475-S477 PolarHBondContact O-N 3.06Å; Y475-R478 PolarHBondContact O-N 3.46Å; Y475-R478 VanDerWaalsContact O-N 3.16Å; Y475-N498 WeakPolarHBondContact CD1-OD1 3.28Å; Y475-N498 HydrophobicContact CE1-CB 3.91Å; Y475-N498 VanDerWaalsContact CE1-CG 3.41Å; Y475-N498 WeakPolarHBondContact CE1-OD1 3.08Å; Y475-N498 HydrophobicContact CE2-CB 4.16Å; Y475-N498 PolarHBondContact O-ND2 2.93Å; Y475-N498 WeakPolarHBondContact OH-CB 3.39Å
476	A	77.9	Confident	83.4	Confident	55 Å²	55	87.6 Å²	87.6	46%	0.455	42%	0.421	S	S	.	.	H	α-helix	trans	-63.8	-34.5	178.9	0	0	0	0	0	113.3	K472 Q473 R478 T479	K472-A476 VanDerWaalsContact O-CB 3.31Å; K472-A476 WeakPolarHBondContact O-CB 3.41Å; K472-A476 PolarHBondContact O-N 3.28Å; Q473-A476 PolarHBondContact O-N 3.48Å; A476-R478 VanDerWaalsContact C-N 3.25Å; A476-R478 PolarHBondContact O-N 3.33Å; A476-T479 WeakPolarHBondContact CA-OG1 3.4Å; A476-T479 VanDerWaalsContact O-CB 3.25Å; A476-T479 WeakPolarHBondContact O-CB 3.29Å; A476-T479 PolarHBondContact O-N 2.9Å; A476-T479 PolarHBondContact O-OG1 3.45Å
477	S	81.4	Confident	83.9	Confident	96 Å²	96	88.6 Å²	88.6	67%	0.671	43%	0.426	S	S	*	.	H	α-helix	trans	-70.3	-23.1	177.1	70.7	0	0	0	0	113	Q473 E474 Y475 T479	Q473-S477 PolarHBondContact O-N 2.95Å; E474-S477 PolarHBondContact O-N 3.48Å; E474-S477 PolarHBondContact O-OG 3.45Å; Y475-S477 VanDerWaalsContact C-N 3.34Å; Y475-S477 PolarHBondContact O-N 3.06Å; S477-T479 VanDerWaalsContact C-N 3.31Å
478	R	83.9	Confident	84.7	Confident	165 Å²	165	91.6 Å²	91.6	62%	0.623	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.1	3.8	174.3	-64.8	175	-175.4	-161.8	4	113.4	E474 Y475 A476 K480 N498	E474-R478 WeakPolarHBondContact O-CG 2.98Å; E474-R478 PolarHBondContact O-N 2.86Å; E474-R478 IonicContact OE1-CZ 3.48Å; E474-R478 IonicContact OE1-NE 3.76Å; E474-R478 IonicContact OE1-NH2 2.66Å; E474-R478 PolarHBondContact OE1-NH2 2.87Å; Y475-R478 PolarHBondContact O-N 3.46Å; Y475-R478 VanDerWaalsContact O-N 3.16Å; A476-R478 VanDerWaalsContact C-N 3.25Å; A476-R478 PolarHBondContact O-N 3.33Å; R478-K480 PolarHBondContact O-N 2.94Å; R478-N498 PolarHBondContact O-ND2 3.44Å
479	T	85.8	Confident	85.4	Confident	39 Å²	39	91.3 Å²	91.3	24%	0.239	44%	0.44	C	S	.	.			trans	-64.3	127.3	-179.6	-51	0	0	0	0	110.4	A476 S477 N498 V500	A476-T479 WeakPolarHBondContact CA-OG1 3.4Å; A476-T479 VanDerWaalsContact O-CB 3.25Å; A476-T479 WeakPolarHBondContact O-CB 3.29Å; A476-T479 PolarHBondContact O-N 2.9Å; A476-T479 PolarHBondContact O-OG1 3.45Å; S477-T479 VanDerWaalsContact C-N 3.31Å; T479-N498 WeakPolarHBondContact CA-ND2 3.42Å; T479-N498 WeakPolarHBondContact CA-O 3.5Å; T479-N498 PolarHBondContact N-ND2 2.85Å; T479-N498 PolarHBondContact OG1-OD1 3.39Å; T479-N498 VanDerWaalsContact OG1-OD1 3.07Å; T479-V500 HydrophobicContact CG2-CB 4.49Å; T479-V500 HydrophobicContact CG2-CG2 3.67Å
480	K	88.3	Confident	86	Confident	131 Å²	131	90.6 Å²	90.6	57%	0.57	44%	0.444	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.9	128.1	174.5	-64.7	-177.7	-178.6	178.9	0	109.5	R478 F482 N498 Q499 V500	R478-K480 PolarHBondContact O-N 2.94Å; K480-F482 HydrophobicContact CB-CE2 3.83Å; K480-F482 HydrophobicContact CB-CZ 4.2Å; K480-F482 HydrophobicContact CD-CZ 4.38Å; K480-N498 PolarHBondContact N-O 3.25Å; K480-Q499 HydrophobicContact CB-CG 4.46Å; K480-Q499 CarbonylContact O-C 3.58Å; K480-Q499 VanDerWaalsContact O-CA 3.31Å; K480-Q499 WeakPolarHBondContact O-CA 3.28Å; K480-V500 PolarHBondContact O-N 3.14Å
481	V	90	Very high	86.7	Confident	84 Å²	84	92.4 Å²	92.4	51%	0.509	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	120.8	177.9	-172.4	0	0	0	0	109.4	V483 V500	V481-V483 HydrophobicContact CG1-CG2 3.94Å; V481-V500 CarbonylContact C-O 3.59Å; V481-V500 VanDerWaalsContact CA-O 3.31Å; V481-V500 WeakPolarHBondContact CA-O 3.31Å; V481-V500 HydrophobicContact CG1-CB 4.49Å; V481-V500 HydrophobicContact CG2-CB 4.37Å
482	F	91.6	Very high	87.3	Confident	75 Å²	75	89.7 Å²	89.7	33%	0.329	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	130.1	174.1	-60	-84	0	0	0	108.9	K480 E485 Q499 V500 H501 R502	K480-F482 HydrophobicContact CB-CE2 3.83Å; K480-F482 HydrophobicContact CB-CZ 4.2Å; K480-F482 HydrophobicContact CD-CZ 4.38Å; F482-E485 HydrophobicContact CB-CG 4.42Å; F482-E485 VanDerWaalsContact CB-OE2 3.25Å; F482-E485 WeakPolarHBondContact CB-OE2 3.09Å; F482-E485 WeakPolarHBondContact CG-OE2 3.25Å; F482-Q499 HydrophobicContact CD2-CB 4.49Å; F482-Q499 HydrophobicContact CE2-CB 4.27Å; F482-Q499 HydrophobicContact CE2-CG 4.18Å; F482-V500 PolarHBondContact N-O 2.95Å; F482-H501 AromaticContact CD2-CE1 3.51Å; F482-H501 AromaticContact CD2-ND1 3.71Å; F482-H501 CarbonylContact O-C 3.55Å; F482-H501 WeakPolarHBondContact O-CA 3.27Å; F482-R502 PolarHBondContact O-N 2.75Å
483	V	92.3	Very high	87.9	Confident	88 Å²	88	88.2 Å²	88.2	53%	0.533	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	129.1	-175	-176.2	0	0	0	0	109.4	V481 E485 R502	V481-V483 HydrophobicContact CG1-CG2 3.94Å; V483-E485 PolarHBondContact O-N 3.46Å; V483-R502 CarbonylContact C-O 3.54Å; V483-R502 WeakPolarHBondContact CA-O 3.23Å; V483-R502 HydrophobicContact CG2-CB 4.38Å
484	K	91.5	Very high	88.3	Confident	154 Å²	154	88.7 Å²	88.7	67%	0.67	44%	0.444	S	S	*	.	S	Bend	trans	53.6	36.6	-179.6	-64.1	178.1	179.8	-176.9	0	113.3	R502 Q503	K484-R502 PolarHBondContact N-O 3.12Å; K484-Q503 WeakPolarHBondContact CA-O 3.43Å; K484-Q503 HydrophobicContact CG-CB 3.99Å
485	E	90.8	Very high	88.6	Confident	41 Å²	41	87.3 Å²	87.3	19%	0.192	44%	0.442	C	S	.	.			trans	-73.4	142.9	174.2	66.4	177.3	-170	0	0	110.4	F482 V483 V487 H501 G504 Q505 Y506	F482-E485 HydrophobicContact CB-CG 4.42Å; F482-E485 VanDerWaalsContact CB-OE2 3.25Å; F482-E485 WeakPolarHBondContact CB-OE2 3.09Å; F482-E485 WeakPolarHBondContact CG-OE2 3.25Å; V483-E485 PolarHBondContact O-N 3.46Å; E485-V487 HydrophobicContact CG-CG2 4.43Å; E485-H501 IonicContact OE1-CE1 3.12Å; E485-H501 PolarHBondContact OE1-CE1 3.36Å; E485-H501 IonicContact OE1-CG 3.62Å; E485-H501 IonicContact OE1-ND1 3.19Å; E485-H501 PolarHBondContact OE1-ND1 3.3Å; E485-H501 IonicContact OE2-ND1 3.28Å; E485-G504 CarbonylContact O-C 3.54Å; E485-G504 WeakPolarHBondContact O-CA 3.29Å; E485-Q505 PolarHBondContact O-N 3.45Å; E485-Y506 WeakPolarHBondContact OE1-CE1 3.27Å; E485-Y506 VanDerWaalsContact OE1-CZ 3.26Å; E485-Y506 PolarHBondContact OE1-OH 3.39Å
486	K	91.9	Very high	89.1	Confident	132 Å²	132	83.5 Å²	83.5	57%	0.574	43%	0.427	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.4	115.4	173.4	-166.8	174.5	-168.6	-138.6	0	107.5	E488 Q505	K486-E488 WeakPolarHBondContact CE-OE1 3.48Å; K486-E488 HydrophobicContact CG-CG 4.23Å; K486-E488 IonicContact NZ-OE1 2.61Å; K486-E488 PolarHBondContact NZ-OE1 2.84Å; K486-E488 IonicContact NZ-OE2 3.95Å; K486-Q505 WeakPolarHBondContact CA-O 3.37Å; K486-Q505 HydrophobicContact CG-CB 4.22Å
487	V	92.2	Very high	89.5	Confident	23 Å²	23	84.9 Å²	84.9	14%	0.139	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	128.3	-179.7	-173.2	0	0	0	0	106.7	E485 V490 F492 Q505 Y506 F507 D509	E485-V487 HydrophobicContact CG-CG2 4.43Å; V487-V490 HydrophobicContact CG1-CB 3.73Å; V487-V490 HydrophobicContact CG1-CG2 3.55Å; V487-F492 HydrophobicContact CG1-CE2 4.16Å; V487-F492 HydrophobicContact CG1-CZ 4Å; V487-Q505 PolarHBondContact N-O 2.9Å; V487-Y506 HydrophobicContact CB-CD1 3.82Å; V487-Y506 HydrophobicContact CB-CE1 4.19Å; V487-Y506 HydrophobicContact CG2-CD1 4.06Å; V487-Y506 HydrophobicContact CG2-CE1 3.9Å; V487-Y506 WeakPolarHBondContact O-CA 3.2Å; V487-F507 PolarHBondContact O-N 2.92Å; V487-D509 VanDerWaalsContact O-OD2 3.13Å
488	E	93.7	Very high	89.7	Confident	85 Å²	85	81.2 Å²	81.2	40%	0.397	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	134.9	-178.3	-52.2	-173.6	145.3	0	0	109.3	K486 V490 F507	K486-E488 WeakPolarHBondContact CE-OE1 3.48Å; K486-E488 HydrophobicContact CG-CG 4.23Å; K486-E488 IonicContact NZ-OE1 2.61Å; K486-E488 PolarHBondContact NZ-OE1 2.84Å; K486-E488 IonicContact NZ-OE2 3.95Å; E488-V490 VanDerWaalsContact C-N 3.27Å; E488-V490 PolarHBondContact O-N 3Å; E488-F507 VanDerWaalsContact CA-O 3.3Å; E488-F507 WeakPolarHBondContact CA-O 3.5Å; E488-F507 HydrophobicContact CG-CB 4.13Å
489	H	92.5	Very high	90	Very high	119 Å²	119	74.7 Å²	74.7	55%	0.551	37%	0.374	S	S	*	.	S	Bend	trans	59.3	29.3	174.8	-51.4	-67.9	0	0	0	115.4	F507 N508 D509	H489-F507 PolarHBondContact N-O 3.38Å; H489-N508 WeakPolarHBondContact CA-O 3.27Å; H489-N508 PolarHBondContact CE1-ND2 3.34Å; H489-N508 VanDerWaalsContact CE1-ND2 3.33Å; H489-N508 PolarHBondContact ND1-ND2 3.11Å; H489-N508 VanDerWaalsContact ND1-ND2 3.15Å; H489-D509 PolarHBondContact N-OD1 3.4Å; H489-D509 VanDerWaalsContact N-OD1 3.12Å
490	V	93.4	Very high	90.3	Very high	58 Å²	58	73.9 Å²	73.9	35%	0.352	37%	0.369	S	S	.	.			trans	-97.9	138.2	179.8	179.3	0	0	0	0	111	V487 E488 F492 D509 K510	V487-V490 HydrophobicContact CG1-CB 3.73Å; V487-V490 HydrophobicContact CG1-CG2 3.55Å; E488-V490 VanDerWaalsContact C-N 3.27Å; E488-V490 PolarHBondContact O-N 3Å; V490-F492 HydrophobicContact CB-CE2 4.18Å; V490-F492 HydrophobicContact CB-CZ 4.46Å; V490-F492 HydrophobicContact CG1-CD2 4.23Å; V490-F492 HydrophobicContact CG1-CE1 4.29Å; V490-F492 HydrophobicContact CG1-CE2 3.93Å; V490-F492 HydrophobicContact CG1-CZ 3.97Å; V490-D509 PolarHBondContact N-OD1 3.25Å; V490-D509 CarbonylContact O-C 3.58Å; V490-D509 WeakPolarHBondContact O-CA 3.39Å; V490-K510 PolarHBondContact O-N 3.19Å
491	T	92.4	Very high	90.5	Very high	79 Å²	79	68.1 Å²	68.1	49%	0.485	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	112.2	169	-56.6	0	0	0	0	110.1	K510 M512	T491-K510 CarbonylContact C-O 3.48Å; T491-K510 VanDerWaalsContact CA-O 3.26Å; T491-K510 WeakPolarHBondContact CA-O 3.36Å; T491-K510 HydrophobicContact CG2-CB 4.08Å; T491-M512 HydrophobicContact CG2-CG 4.15Å
492	F	91.3	Very high	90.8	Very high	29 Å²	29	69.9 Å²	69.9	13%	0.127	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	117.8	171.7	-63.4	-85.4	0	0	0	109.5	V487 V490 F494 L496 K510 F511 M512 V514	V487-F492 HydrophobicContact CG1-CE2 4.16Å; V487-F492 HydrophobicContact CG1-CZ 4Å; V490-F492 HydrophobicContact CB-CE2 4.18Å; V490-F492 HydrophobicContact CB-CZ 4.46Å; V490-F492 HydrophobicContact CG1-CD2 4.23Å; V490-F492 HydrophobicContact CG1-CE1 4.29Å; V490-F492 HydrophobicContact CG1-CE2 3.93Å; V490-F492 HydrophobicContact CG1-CZ 3.97Å; F492-F494 HydrophobicContact CD1-CE1 4.07Å; F492-F494 AromaticContact CD1-CZ 3.92Å; F492-F494 HydrophobicContact CD1-CZ 3.92Å; F492-F494 HydrophobicContact CE1-CZ 4.4Å; F492-L496 HydrophobicContact CD1-CD1 4.24Å; F492-K510 PolarHBondContact N-O 2.66Å; F492-F511 HydrophobicContact CB-CD1 3.79Å; F492-F511 HydrophobicContact CB-CE1 4.22Å; F492-F511 HydrophobicContact CB-CG 4.46Å; F492-F511 AromaticContact CD2-CD1 3.63Å; F492-F511 HydrophobicContact CD2-CD1 3.63Å; F492-F511 AromaticContact CD2-CE1 3.29Å; F492-F511 HydrophobicContact CD2-CE1 3.29Å; F492-F511 HydrophobicContact CD2-CE2 4.25Å; F492-F511 HydrophobicContact CD2-CG 4.25Å; F492-F511 AromaticContact CD2-CZ 3.64Å; F492-F511 HydrophobicContact CD2-CZ 3.64Å; F492-F511 HydrophobicContact CE2-CD1 4.46Å; F492-F511 AromaticContact CE2-CE1 3.69Å; F492-F511 HydrophobicContact CE2-CE1 3.69Å; F492-F511 HydrophobicContact CE2-CE2 4.48Å; F492-F511 AromaticContact CE2-CZ 3.69Å; F492-F511 HydrophobicContact CE2-CZ 3.69Å; F492-F511 AromaticContact CG-CD1 3.87Å; F492-F511 HydrophobicContact CG-CD1 3.87Å; F492-F511 AromaticContact CG-CE1 3.77Å; F492-F511 HydrophobicContact CG-CE1 3.77Å; F492-F511 HydrophobicContact CZ-CE1 4.44Å; F492-M512 PolarHBondContact O-N 3.11Å; F492-V514 HydrophobicContact CB-CG2 3.95Å; F492-V514 WeakPolarHBondContact O-CG2 3.36Å
493	N	89.4	Confident	90.9	Very high	119 Å²	119	70.9 Å²	70.9	64%	0.636	35%	0.347	S	S	*	.			trans	-127.1	15.4	179.2	68.5	-5.8	0	0	0	113.2
494	F	88.2	Confident	90.9	Very high	108 Å²	108	66.8 Å²	66.8	47%	0.474	32%	0.322	S	S	.	.	S	Bend	trans	-127.2	158.2	-177.4	59.2	-90.2	0	0	0	111	F492 L496	F492-F494 HydrophobicContact CD1-CE1 4.07Å; F492-F494 AromaticContact CD1-CZ 3.92Å; F492-F494 HydrophobicContact CD1-CZ 3.92Å; F492-F494 HydrophobicContact CE1-CZ 4.4Å; F494-L496 HydrophobicContact CD2-CD2 4.05Å; F494-L496 HydrophobicContact CE2-CD2 3.38Å; F494-L496 HydrophobicContact CE2-CG 4.29Å; F494-L496 HydrophobicContact CZ-CD2 4.05Å; F494-L496 PolarHBondContact O-N 3.35Å
495	T	85.6	Confident	91	Very high	67 Å²	67	64.2 Å²	64.2	41%	0.411	31%	0.312	S	S	.	.			trans	-65.4	127.4	178.8	-53.6	0	0	0	0	110.9	E497 K515	T495-E497 HydrophobicContact CG2-CG 3.53Å; T495-E497 VanDerWaalsContact CG2-OE1 3.29Å; T495-E497 WeakPolarHBondContact CG2-OE1 3.15Å; T495-K515 WeakPolarHBondContact CA-O 3.31Å; T495-K515 HydrophobicContact CG2-CB 3.75Å; T495-K515 VanDerWaalsContact CG2-O 3.32Å; T495-K515 WeakPolarHBondContact CG2-O 3.39Å
496	L	86.9	Confident	91.2	Very high	7 Å²	7	62.4 Å²	62.4	4%	0.037	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	120.4	175.1	-65.9	169.3	0	0	0	108.6	F492 F494 F511 V514 K515 M516 R517 M519	F492-L496 HydrophobicContact CD1-CD1 4.24Å; F494-L496 HydrophobicContact CD2-CD2 4.05Å; F494-L496 HydrophobicContact CE2-CD2 3.38Å; F494-L496 HydrophobicContact CE2-CG 4.29Å; F494-L496 HydrophobicContact CZ-CD2 4.05Å; F494-L496 PolarHBondContact O-N 3.35Å; L496-F511 HydrophobicContact CD1-CE1 4.42Å; L496-V514 HydrophobicContact CD1-CG1 4.1Å; L496-V514 HydrophobicContact CG-CG1 4.28Å; L496-K515 PolarHBondContact N-O 3.21Å; L496-M516 WeakPolarHBondContact O-CA 3.32Å; L496-R517 PolarHBondContact O-N 3.43Å; L496-M519 HydrophobicContact CB-CE 3.68Å; L496-M519 HydrophobicContact CB-SD 3.27Å; L496-M519 WeakPolarHBondContact CB-SD 3.23Å; L496-M519 HydrophobicContact CD1-CE 3.84Å; L496-M519 HydrophobicContact CD1-SD 4.11Å; L496-M519 HydrophobicContact CG-CE 4.28Å; L496-M519 HydrophobicContact CG-SD 4.31Å
497	E	86.3	Confident	91.4	Very high	84 Å²	84	59.1 Å²	59.1	39%	0.393	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	139.3	-177.4	-47.7	-167.3	166.4	0	0	111.8	T495 Q499 R517	T495-E497 HydrophobicContact CG2-CG 3.53Å; T495-E497 VanDerWaalsContact CG2-OE1 3.29Å; T495-E497 WeakPolarHBondContact CG2-OE1 3.15Å; E497-Q499 WeakPolarHBondContact O-CG 3.37Å; E497-R517 CarbonylContact C-O 3.58Å; E497-R517 VanDerWaalsContact CA-O 3.3Å; E497-R517 WeakPolarHBondContact CA-O 3.32Å; E497-R517 HydrophobicContact CB-CB 4.17Å; E497-R517 HydrophobicContact CG-CB 3.95Å; E497-R517 HydrophobicContact CG-CG 4.21Å; E497-R517 WeakPolarHBondContact OE1-CD 3.42Å; E497-R517 IonicContact OE1-NE 2.71Å; E497-R517 IonicContact OE1-NH1 3.84Å
498	N	85.8	Confident	91.6	Very high	18 Å²	18	60.3 Å²	60.3	10%	0.096	30%	0.295	C	S	.	.	S	Bend	trans	59.7	51.5	169.7	-155.2	28	0	0	0	114.5	Y475 R478 T479 K480 R517	Y475-N498 WeakPolarHBondContact CD1-OD1 3.28Å; Y475-N498 HydrophobicContact CE1-CB 3.91Å; Y475-N498 VanDerWaalsContact CE1-CG 3.41Å; Y475-N498 WeakPolarHBondContact CE1-OD1 3.08Å; Y475-N498 HydrophobicContact CE2-CB 4.16Å; Y475-N498 PolarHBondContact O-ND2 2.93Å; Y475-N498 WeakPolarHBondContact OH-CB 3.39Å; R478-N498 PolarHBondContact O-ND2 3.44Å; T479-N498 WeakPolarHBondContact CA-ND2 3.42Å; T479-N498 WeakPolarHBondContact CA-O 3.5Å; T479-N498 PolarHBondContact N-ND2 2.85Å; T479-N498 PolarHBondContact OG1-OD1 3.39Å; T479-N498 VanDerWaalsContact OG1-OD1 3.07Å; K480-N498 PolarHBondContact N-O 3.25Å; N498-R517 PolarHBondContact N-O 2.88Å
499	Q	90.2	Very high	91.6	Very high	28 Å²	28	56.2 Å²	56.2	13%	0.131	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	139.3	-176.3	-53.6	-178.4	19.1	0	0	111.4	K480 F482 E497 H501 M519 V520	K480-Q499 HydrophobicContact CB-CG 4.46Å; K480-Q499 CarbonylContact O-C 3.58Å; K480-Q499 VanDerWaalsContact O-CA 3.31Å; K480-Q499 WeakPolarHBondContact O-CA 3.28Å; F482-Q499 HydrophobicContact CD2-CB 4.49Å; F482-Q499 HydrophobicContact CE2-CB 4.27Å; F482-Q499 HydrophobicContact CE2-CG 4.18Å; E497-Q499 WeakPolarHBondContact O-CG 3.37Å; Q499-H501 WeakPolarHBondContact CB-NE2 3.4Å; Q499-H501 PolarHBondContact OE1-CE1 2.9Å; Q499-H501 PolarHBondContact OE1-NE2 2.62Å; Q499-M519 HydrophobicContact CB-CE 4.22Å; Q499-M519 VanDerWaalsContact O-CA 3.26Å; Q499-M519 WeakPolarHBondContact O-CA 3.23Å; Q499-V520 PolarHBondContact O-N 2.87Å
500	V	91.7	Very high	91.7	Very high	23 Å²	23	55 Å²	55	14%	0.139	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	119.8	173.2	178.7	0	0	0	0	108.4	T479 K480 V481 F482 R502 V520	T479-V500 HydrophobicContact CG2-CB 4.49Å; T479-V500 HydrophobicContact CG2-CG2 3.67Å; K480-V500 PolarHBondContact O-N 3.14Å; V481-V500 CarbonylContact C-O 3.59Å; V481-V500 VanDerWaalsContact CA-O 3.31Å; V481-V500 WeakPolarHBondContact CA-O 3.31Å; V481-V500 HydrophobicContact CG1-CB 4.49Å; V481-V500 HydrophobicContact CG2-CB 4.37Å; F482-V500 PolarHBondContact N-O 2.95Å; V500-R502 HydrophobicContact CG1-CG 4.12Å; V500-V520 CarbonylContact C-O 3.55Å; V500-V520 VanDerWaalsContact CA-O 3.3Å; V500-V520 WeakPolarHBondContact CA-O 3.09Å; V500-V520 HydrophobicContact CG1-CB 4.44Å; V500-V520 HydrophobicContact CG2-CB 4.27Å
501	H	93.9	Very high	91.7	Very high	10 Å²	10	52.3 Å²	52.3	5%	0.046	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	119.3	-179.3	-57.8	-97.5	0	0	0	108.8	F482 E485 Q499 Y506 M519 V520 F521 E522	F482-H501 AromaticContact CD2-CE1 3.51Å; F482-H501 AromaticContact CD2-ND1 3.71Å; F482-H501 CarbonylContact O-C 3.55Å; F482-H501 WeakPolarHBondContact O-CA 3.27Å; E485-H501 IonicContact OE1-CE1 3.12Å; E485-H501 PolarHBondContact OE1-CE1 3.36Å; E485-H501 IonicContact OE1-CG 3.62Å; E485-H501 IonicContact OE1-ND1 3.19Å; E485-H501 PolarHBondContact OE1-ND1 3.3Å; E485-H501 IonicContact OE2-ND1 3.28Å; Q499-H501 WeakPolarHBondContact CB-NE2 3.4Å; Q499-H501 PolarHBondContact OE1-CE1 2.9Å; Q499-H501 PolarHBondContact OE1-NE2 2.62Å; H501-Y506 WeakPolarHBondContact CB-OH 3.31Å; H501-Y506 PolarHBondContact ND1-OH 2.93Å; H501-M519 VanDerWaalsContact NE2-CE 3.34Å; H501-M519 WeakPolarHBondContact NE2-CE 3.26Å; H501-V520 PolarHBondContact N-O 3.03Å; H501-F521 HydrophobicContact CB-CD1 3.5Å; H501-F521 HydrophobicContact CB-CE1 3.81Å; H501-F521 HydrophobicContact CB-CG 4.34Å; H501-F521 AromaticContact CD2-CD1 3.9Å; H501-F521 AromaticContact CD2-CE1 3.45Å; H501-F521 VanDerWaalsContact CD2-CE1 3.45Å; H501-F521 WeakPolarHBondContact CD2-CE1 3.35Å; H501-F521 AromaticContact CD2-CZ 3.76Å; H501-F521 AromaticContact CG-CD1 3.82Å; H501-F521 AromaticContact CG-CE1 3.57Å; H501-F521 CarbonylContact O-C 3.55Å; H501-F521 WeakPolarHBondContact O-CA 3.2Å; H501-E522 PolarHBondContact O-N 3.19Å
502	R	94.6	Very high	91.7	Very high	121 Å²	121	51.2 Å²	51.2	46%	0.457	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	129.6	-178.2	-65.7	-172.1	162.8	168.7	-0.8	110.7	F482 V483 K484 V500 G504 E522	F482-R502 PolarHBondContact O-N 2.75Å; V483-R502 CarbonylContact C-O 3.54Å; V483-R502 WeakPolarHBondContact CA-O 3.23Å; V483-R502 HydrophobicContact CG2-CB 4.38Å; K484-R502 PolarHBondContact N-O 3.12Å; V500-R502 HydrophobicContact CG1-CG 4.12Å; R502-G504 PolarHBondContact O-N 3.46Å; R502-E522 WeakPolarHBondContact CA-O 3.39Å; R502-E522 HydrophobicContact CG-CB 4.33Å; R502-E522 IonicContact CZ-OE2 2.64Å; R502-E522 IonicContact NE-OE2 3.45Å; R502-E522 PolarHBondContact NE-OE2 2.99Å; R502-E522 IonicContact NH2-OE2 3.72Å; R502-E522 PolarHBondContact NH2-OE2 3.5Å
503	Q	93.7	Very high	91.5	Very high	96 Å²	96	55.5 Å²	55.5	45%	0.449	27%	0.267	S	S	.	.	S	Bend	trans	56.6	32.9	177.7	-54.6	179.6	-31.2	0	0	112.4	K484 E522 D523	K484-Q503 WeakPolarHBondContact CA-O 3.43Å; K484-Q503 HydrophobicContact CG-CB 3.99Å; Q503-E522 PolarHBondContact N-O 3.16Å; Q503-D523 WeakPolarHBondContact CA-O 3.32Å; Q503-D523 HydrophobicContact CG-CB 4.37Å
504	G	92.4	Very high	91.4	Very high	1 Å²	1	49.9 Å²	49.9	1%	0.01	24%	0.237	C	C	.	.			trans	-74.6	148.1	179.7	0	0	0	0	0	111.5	E485 R502 S524 L525	E485-G504 CarbonylContact O-C 3.54Å; E485-G504 WeakPolarHBondContact O-CA 3.29Å; R502-G504 PolarHBondContact O-N 3.46Å; G504-S524 PolarHBondContact N-OG 3.03Å; G504-S524 VanDerWaalsContact N-OG 3.12Å; G504-S524 CarbonylContact O-C 3.44Å; G504-S524 VanDerWaalsContact O-CA 3.22Å; G504-S524 WeakPolarHBondContact O-CA 3.32Å; G504-S524 WeakPolarHBondContact O-CB 3.2Å; G504-L525 PolarHBondContact O-N 2.94Å
505	Q	94.9	Very high	91.2	Very high	100 Å²	100	47.6 Å²	47.6	47%	0.467	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	117.1	171.6	-68.2	-177.5	-7.3	0	0	108.7	E485 K486 V487	E485-Q505 PolarHBondContact O-N 3.45Å; K486-Q505 WeakPolarHBondContact CA-O 3.37Å; K486-Q505 HydrophobicContact CG-CB 4.22Å; V487-Q505 PolarHBondContact N-O 2.9Å
506	Y	95.1	Very high	91.2	Very high	4 Å²	4	44.4 Å²	44.4	2%	0.016	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	119.4	179.6	-56.1	-85.2	0	0	0	108	E485 V487 H501 D509 F521 L525 F526 E527	E485-Y506 WeakPolarHBondContact OE1-CE1 3.27Å; E485-Y506 VanDerWaalsContact OE1-CZ 3.26Å; E485-Y506 PolarHBondContact OE1-OH 3.39Å; V487-Y506 HydrophobicContact CB-CD1 3.82Å; V487-Y506 HydrophobicContact CB-CE1 4.19Å; V487-Y506 HydrophobicContact CG2-CD1 4.06Å; V487-Y506 HydrophobicContact CG2-CE1 3.9Å; V487-Y506 WeakPolarHBondContact O-CA 3.2Å; H501-Y506 WeakPolarHBondContact CB-OH 3.31Å; H501-Y506 PolarHBondContact ND1-OH 2.93Å; Y506-D509 VanDerWaalsContact CA-OD2 3.32Å; Y506-D509 WeakPolarHBondContact CA-OD2 3.4Å; Y506-D509 VanDerWaalsContact CB-OD2 3.26Å; Y506-D509 WeakPolarHBondContact CB-OD2 3.44Å; Y506-F521 HydrophobicContact CE2-CD1 4.05Å; Y506-F521 HydrophobicContact CE2-CE1 4.13Å; Y506-F521 AromaticContact CZ-CE1 3.79Å; Y506-F521 VanDerWaalsContact OH-CE1 3.32Å; Y506-F521 WeakPolarHBondContact OH-CE1 3.36Å; Y506-L525 PolarHBondContact N-O 3.13Å; Y506-F526 HydrophobicContact CD1-CE1 4.27Å; Y506-F526 AromaticContact CD2-CD1 3.55Å; Y506-F526 HydrophobicContact CD2-CD1 3.55Å; Y506-F526 HydrophobicContact CD2-CD2 4.28Å; Y506-F526 AromaticContact CD2-CE1 3.22Å; Y506-F526 HydrophobicContact CD2-CE1 3.22Å; Y506-F526 HydrophobicContact CD2-CE2 4.01Å; Y506-F526 HydrophobicContact CD2-CG 4.07Å; Y506-F526 AromaticContact CD2-CZ 3.47Å; Y506-F526 HydrophobicContact CD2-CZ 3.47Å; Y506-F526 VanDerWaalsContact CD2-CZ 3.47Å; Y506-F526 HydrophobicContact CE2-CD1 4.41Å; Y506-F526 AromaticContact CE2-CE1 3.67Å; Y506-F526 HydrophobicContact CE2-CE1 3.67Å; Y506-F526 HydrophobicContact CE2-CE2 4.16Å; Y506-F526 AromaticContact CE2-CZ 3.52Å; Y506-F526 HydrophobicContact CE2-CZ 3.52Å; Y506-F526 AromaticContact CG-CD1 3.73Å; Y506-F526 HydrophobicContact CG-CD1 3.73Å; Y506-F526 AromaticContact CG-CE1 3.55Å; Y506-F526 HydrophobicContact CG-CE1 3.55Å; Y506-F526 HydrophobicContact CG-CZ 4.26Å; Y506-E527 PolarHBondContact O-N 2.58Å
507	F	95.9	Very high	90.8	Very high	62 Å²	62	45.5 Å²	45.5	27%	0.272	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	120.3	-176.6	-177.6	-98.2	0	0	0	110.6	V487 E488 H489 D509 E527	V487-F507 PolarHBondContact O-N 2.92Å; E488-F507 VanDerWaalsContact CA-O 3.3Å; E488-F507 WeakPolarHBondContact CA-O 3.5Å; E488-F507 HydrophobicContact CG-CB 4.13Å; H489-F507 PolarHBondContact N-O 3.38Å; F507-D509 PolarHBondContact N-OD2 3.08Å; F507-D509 PolarHBondContact O-N 3.39Å; F507-E527 WeakPolarHBondContact CA-O 3.29Å; F507-E527 HydrophobicContact CD2-CB 3.99Å; F507-E527 HydrophobicContact CD2-CG 3.86Å; F507-E527 HydrophobicContact CE2-CG 3.95Å
508	N	95.1	Very high	90.6	Very high	48 Å²	48	42.9 Å²	42.9	26%	0.257	20%	0.202	S	C	.	.	S	Bend	trans	54.1	40.3	179.3	-167	8.3	0	0	0	113.3	H489 E527 E528	H489-N508 WeakPolarHBondContact CA-O 3.27Å; H489-N508 PolarHBondContact CE1-ND2 3.34Å; H489-N508 VanDerWaalsContact CE1-ND2 3.33Å; H489-N508 PolarHBondContact ND1-ND2 3.11Å; H489-N508 VanDerWaalsContact ND1-ND2 3.15Å; N508-E527 PolarHBondContact N-O 3.19Å; N508-E528 HydrophobicContact CB-CB 4.49Å
509	D	94.6	Very high	90.7	Very high	0 Å²	0	42 Å²	42	0%	0	20%	0.198	C	C	.	.			trans	-94.6	147.9	177.7	-66	-43.6	0	0	0	112	V487 H489 V490 Y506 F507 F511 C529 Y530	V487-D509 VanDerWaalsContact O-OD2 3.13Å; H489-D509 PolarHBondContact N-OD1 3.4Å; H489-D509 VanDerWaalsContact N-OD1 3.12Å; V490-D509 PolarHBondContact N-OD1 3.25Å; V490-D509 CarbonylContact O-C 3.58Å; V490-D509 WeakPolarHBondContact O-CA 3.39Å; Y506-D509 VanDerWaalsContact CA-OD2 3.32Å; Y506-D509 WeakPolarHBondContact CA-OD2 3.4Å; Y506-D509 VanDerWaalsContact CB-OD2 3.26Å; Y506-D509 WeakPolarHBondContact CB-OD2 3.44Å; F507-D509 PolarHBondContact N-OD2 3.08Å; F507-D509 PolarHBondContact O-N 3.39Å; D509-F511 HydrophobicContact CB-CE2 4.11Å; D509-C529 CarbonylContact O-C 3.58Å; D509-C529 VanDerWaalsContact O-CA 3.22Å; D509-C529 WeakPolarHBondContact O-CA 3.27Å; D509-Y530 PolarHBondContact O-N 3.48Å
510	K	93.9	Very high	90.8	Very high	93 Å²	93	42 Å²	42	40%	0.404	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	120.9	179.9	-60	-173.6	178.7	-178.6	0	111	V490 T491 F492 M512 Y530	V490-K510 PolarHBondContact O-N 3.19Å; T491-K510 CarbonylContact C-O 3.48Å; T491-K510 VanDerWaalsContact CA-O 3.26Å; T491-K510 WeakPolarHBondContact CA-O 3.36Å; T491-K510 HydrophobicContact CG2-CB 4.08Å; F492-K510 PolarHBondContact N-O 2.66Å; K510-M512 HydrophobicContact CB-CG 4.14Å; K510-Y530 CarbonylContact C-O 3.47Å; K510-Y530 HydrophobicContact CG-CD2 4.24Å
511	F	94	Very high	90.9	Very high	2 Å²	2	41 Å²	41	1%	0.009	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	101.7	173.1	-61.2	-95.5	0	0	0	108.2	F492 L496 D509 V514 M516 F526 Y530 F531 E532 I534	F492-F511 HydrophobicContact CB-CD1 3.79Å; F492-F511 HydrophobicContact CB-CE1 4.22Å; F492-F511 HydrophobicContact CB-CG 4.46Å; F492-F511 AromaticContact CD2-CD1 3.63Å; F492-F511 HydrophobicContact CD2-CD1 3.63Å; F492-F511 AromaticContact CD2-CE1 3.29Å; F492-F511 HydrophobicContact CD2-CE1 3.29Å; F492-F511 HydrophobicContact CD2-CE2 4.25Å; F492-F511 HydrophobicContact CD2-CG 4.25Å; F492-F511 AromaticContact CD2-CZ 3.64Å; F492-F511 HydrophobicContact CD2-CZ 3.64Å; F492-F511 HydrophobicContact CE2-CD1 4.46Å; F492-F511 AromaticContact CE2-CE1 3.69Å; F492-F511 HydrophobicContact CE2-CE1 3.69Å; F492-F511 HydrophobicContact CE2-CE2 4.48Å; F492-F511 AromaticContact CE2-CZ 3.69Å; F492-F511 HydrophobicContact CE2-CZ 3.69Å; F492-F511 AromaticContact CG-CD1 3.87Å; F492-F511 HydrophobicContact CG-CD1 3.87Å; F492-F511 AromaticContact CG-CE1 3.77Å; F492-F511 HydrophobicContact CG-CE1 3.77Å; F492-F511 HydrophobicContact CZ-CE1 4.44Å; L496-F511 HydrophobicContact CD1-CE1 4.42Å; D509-F511 HydrophobicContact CB-CE2 4.11Å; F511-V514 HydrophobicContact CB-CG2 4.3Å; F511-M516 HydrophobicContact CB-CE 4.39Å; F511-M516 HydrophobicContact CD1-CE 3.55Å; F511-M516 HydrophobicContact CE1-CE 4.07Å; F511-M516 HydrophobicContact CG-CE 4.11Å; F511-F526 HydrophobicContact CE2-CE1 4.38Å; F511-F526 HydrophobicContact CZ-CE1 4.33Å; F511-Y530 PolarHBondContact N-O 3.14Å; F511-F531 HydrophobicContact CB-CD1 3.72Å; F511-F531 HydrophobicContact CB-CE1 4.08Å; F511-F531 HydrophobicContact CB-CG 4.4Å; F511-F531 HydrophobicContact CD1-CE1 4.27Å; F511-F531 AromaticContact CD2-CD1 3.82Å; F511-F531 HydrophobicContact CD2-CD1 3.82Å; F511-F531 AromaticContact CD2-CE1 3.44Å; F511-F531 HydrophobicContact CD2-CE1 3.44Å; F511-F531 VanDerWaalsContact CD2-CE1 3.44Å; F511-F531 HydrophobicContact CD2-CE2 4.21Å; F511-F531 HydrophobicContact CD2-CG 4.37Å; F511-F531 AromaticContact CD2-CZ 3.66Å; F511-F531 HydrophobicContact CD2-CZ 3.66Å; F511-F531 AromaticContact CE2-CE1 3.88Å; F511-F531 HydrophobicContact CE2-CE1 3.88Å; F511-F531 HydrophobicContact CE2-CE2 4.46Å; F511-F531 AromaticContact CE2-CZ 3.76Å; F511-F531 HydrophobicContact CE2-CZ 3.76Å; F511-F531 AromaticContact CG-CD1 3.85Å; F511-F531 HydrophobicContact CG-CD1 3.85Å; F511-F531 AromaticContact CG-CE1 3.67Å; F511-F531 HydrophobicContact CG-CE1 3.67Å; F511-F531 HydrophobicContact CG-CZ 4.35Å; F511-F531 HydrophobicContact CZ-CE1 4.45Å; F511-E532 PolarHBondContact O-N 3.4Å; F511-I534 HydrophobicContact CB-CD1 3.78Å
512	M	91.6	Very high	90.9	Very high	56 Å²	56	42.4 Å²	42.4	28%	0.276	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	121.1	-171.4	-59.2	-72.1	-58.5	0	0	109.9	T491 F492 K510 V514 E532	T491-M512 HydrophobicContact CG2-CG 4.15Å; F492-M512 PolarHBondContact O-N 3.11Å; K510-M512 HydrophobicContact CB-CG 4.14Å; M512-V514 PolarHBondContact O-N 3.34Å; M512-E532 HydrophobicContact CE-CB 3.87Å; M512-E532 HydrophobicContact CE-CG 3.98Å; M512-E532 WeakPolarHBondContact CE-OE2 3.28Å; M512-E532 HydrophobicContact SD-CB 3.48Å; M512-E532 WeakPolarHBondContact SD-CB 3.39Å; M512-E532 HydrophobicContact SD-CG 4.25Å
513	N	86.9	Confident	90.9	Very high	119 Å²	119	40.8 Å²	40.8	64%	0.636	20%	0.2	S	C	*	.	S	Bend	trans	55.3	37.2	179.1	-161.6	12	0	0	0	112.6	E532	N513-E532 PolarHBondContact N-O 2.57Å
514	V	87.3	Confident	91	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.179	C	C	.	.			trans	-91.8	132.8	-177	175.3	0	0	0	0	110.3	F492 L496 F511 M512 M516 I534 T535	F492-V514 HydrophobicContact CB-CG2 3.95Å; F492-V514 WeakPolarHBondContact O-CG2 3.36Å; L496-V514 HydrophobicContact CD1-CG1 4.1Å; L496-V514 HydrophobicContact CG-CG1 4.28Å; F511-V514 HydrophobicContact CB-CG2 4.3Å; M512-V514 PolarHBondContact O-N 3.34Å; V514-M516 HydrophobicContact CG1-CE 4.12Å; V514-M516 HydrophobicContact CG1-CG 3.76Å; V514-I534 HydrophobicContact CB-CD1 3.76Å; V514-T535 PolarHBondContact O-N 3.21Å; V514-T535 VanDerWaalsContact O-N 3.15Å
515	K	85.3	Confident	91.1	Very high	61 Å²	61	38.9 Å²	38.9	27%	0.265	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	116.3	166.2	-72.5	179	-176.8	-177.9	0	109.1	T495 L496 T535	T495-K515 WeakPolarHBondContact CA-O 3.31Å; T495-K515 HydrophobicContact CG2-CB 3.75Å; T495-K515 VanDerWaalsContact CG2-O 3.32Å; T495-K515 WeakPolarHBondContact CG2-O 3.39Å; L496-K515 PolarHBondContact N-O 3.21Å; K515-T535 CarbonylContact C-O 3.51Å; K515-T535 VanDerWaalsContact CA-O 3.28Å; K515-T535 WeakPolarHBondContact CA-O 3.43Å
516	M	85.3	Confident	91.2	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	109.6	-179.1	-63.6	-173.1	173.5	0	0	110.6	L496 F511 V514 M519 F531 I534 T535 S536 S537 T539 F541	L496-M516 WeakPolarHBondContact O-CA 3.32Å; F511-M516 HydrophobicContact CB-CE 4.39Å; F511-M516 HydrophobicContact CD1-CE 3.55Å; F511-M516 HydrophobicContact CE1-CE 4.07Å; F511-M516 HydrophobicContact CG-CE 4.11Å; V514-M516 HydrophobicContact CG1-CE 4.12Å; V514-M516 HydrophobicContact CG1-CG 3.76Å; M516-M519 HydrophobicContact CB-CG 4.45Å; M516-M519 HydrophobicContact CB-SD 3.73Å; M516-M519 HydrophobicContact CG-SD 3.81Å; M516-M519 HydrophobicContact SD-SD 4.34Å; M516-F531 HydrophobicContact CE-CD1 4.27Å; M516-F531 HydrophobicContact CE-CE1 3.93Å; M516-I534 HydrophobicContact CE-CD1 4.35Å; M516-I534 HydrophobicContact CG-CG2 4.39Å; M516-I534 HydrophobicContact SD-CG2 4.25Å; M516-T535 PolarHBondContact N-O 3.06Å; M516-S536 CarbonylContact O-C 3.56Å; M516-S536 VanDerWaalsContact O-CA 3.24Å; M516-S536 WeakPolarHBondContact O-CA 3.43Å; M516-S537 PolarHBondContact O-N 2.65Å; M516-T539 HydrophobicContact CB-CG2 4.11Å; M516-T539 PolarHBondContact O-OG1 3.37Å; M516-T539 HydrophobicContact SD-CG2 4.43Å; M516-F541 HydrophobicContact SD-CZ 4.42Å
517	R	79.4	Confident	91.2	Very high	30 Å²	30	37.2 Å²	37.2	11%	0.113	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	125.3	-176.2	-57.4	-163.8	166.5	174.5	-5.8	112.9	L496 E497 N498 M519 S537 D582 S584	L496-R517 PolarHBondContact O-N 3.43Å; E497-R517 CarbonylContact C-O 3.58Å; E497-R517 VanDerWaalsContact CA-O 3.3Å; E497-R517 WeakPolarHBondContact CA-O 3.32Å; E497-R517 HydrophobicContact CB-CB 4.17Å; E497-R517 HydrophobicContact CG-CB 3.95Å; E497-R517 HydrophobicContact CG-CG 4.21Å; E497-R517 WeakPolarHBondContact OE1-CD 3.42Å; E497-R517 IonicContact OE1-NE 2.71Å; E497-R517 IonicContact OE1-NH1 3.84Å; N498-R517 PolarHBondContact N-O 2.88Å; R517-M519 PolarHBondContact O-N 3.12Å; R517-S537 CarbonylContact C-O 3.52Å; R517-S537 WeakPolarHBondContact CA-O 3.45Å; R517-S537 WeakPolarHBondContact CG-OG 3.49Å; R517-D582 IonicContact CZ-OD1 3.07Å; R517-D582 VanDerWaalsContact CZ-OD1 3.31Å; R517-D582 IonicContact NE-OD1 2.84Å; R517-D582 PolarHBondContact NE-OD1 3.47Å; R517-D582 IonicContact NH2-OD1 3.38Å; R517-D582 PolarHBondContact NH2-OD1 3.3Å; R517-D582 IonicContact NH2-OD2 3.68Å; R517-S584 PolarHBondContact NH1-OG 3.22Å; R517-S584 PolarHBondContact NH2-OG 2.97Å
518	S	81.6	Confident	91.1	Very high	29 Å²	29	38.1 Å²	38.1	20%	0.203	19%	0.19	C	C	.	.	S	Bend	trans	48	46.1	-179.6	-60.3	0	0	0	0	111.9	S537 N538	S518-S537 PolarHBondContact N-O 3.31Å; S518-N538 WeakPolarHBondContact CA-O 3.42Å; S518-N538 PolarHBondContact OG-ND2 3.28Å
519	M	88.3	Confident	91.1	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.178	C	C	.	.			trans	-99.3	140	176.9	-65.8	-175.2	80.6	0	0	111.1	L496 Q499 H501 M516 R517 F521 T539 F540	L496-M519 HydrophobicContact CB-CE 3.68Å; L496-M519 HydrophobicContact CB-SD 3.27Å; L496-M519 WeakPolarHBondContact CB-SD 3.23Å; L496-M519 HydrophobicContact CD1-CE 3.84Å; L496-M519 HydrophobicContact CD1-SD 4.11Å; L496-M519 HydrophobicContact CG-CE 4.28Å; L496-M519 HydrophobicContact CG-SD 4.31Å; Q499-M519 HydrophobicContact CB-CE 4.22Å; Q499-M519 VanDerWaalsContact O-CA 3.26Å; Q499-M519 WeakPolarHBondContact O-CA 3.23Å; H501-M519 VanDerWaalsContact NE2-CE 3.34Å; H501-M519 WeakPolarHBondContact NE2-CE 3.26Å; M516-M519 HydrophobicContact CB-CG 4.45Å; M516-M519 HydrophobicContact CB-SD 3.73Å; M516-M519 HydrophobicContact CG-SD 3.81Å; M516-M519 HydrophobicContact SD-SD 4.34Å; R517-M519 PolarHBondContact O-N 3.12Å; M519-F521 HydrophobicContact CB-CE2 4.21Å; M519-F521 HydrophobicContact CE-CE2 3.82Å; M519-F521 HydrophobicContact CE-CZ 3.51Å; M519-F521 HydrophobicContact SD-CE2 4.4Å; M519-T539 HydrophobicContact CB-CG2 3.84Å; M519-T539 PolarHBondContact N-OG1 3.48Å; M519-T539 CarbonylContact O-C 3.57Å; M519-T539 WeakPolarHBondContact O-CA 3.45Å; M519-F540 PolarHBondContact O-N 3.47Å
520	V	91.1	Very high	91.1	Very high	26 Å²	26	40.6 Å²	40.6	16%	0.158	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	121.7	173.4	-170.4	0	0	0	0	109.8	Q499 V500 H501 E522 F540 K542	Q499-V520 PolarHBondContact O-N 2.87Å; V500-V520 CarbonylContact C-O 3.55Å; V500-V520 VanDerWaalsContact CA-O 3.3Å; V500-V520 WeakPolarHBondContact CA-O 3.09Å; V500-V520 HydrophobicContact CG1-CB 4.44Å; V500-V520 HydrophobicContact CG2-CB 4.27Å; H501-V520 PolarHBondContact N-O 3.03Å; V520-E522 HydrophobicContact CG1-CG 3.67Å; V520-F540 WeakPolarHBondContact CA-O 3.38Å; V520-K542 HydrophobicContact CG1-CD 4.24Å
521	F	93.6	Very high	91	Very high	3 Å²	3	36.3 Å²	36.3	1%	0.013	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	124.5	169.9	-63.2	-93.7	0	0	0	108.6	H501 Y506 M519 F526 F540 F541 K542 C544	H501-F521 HydrophobicContact CB-CD1 3.5Å; H501-F521 HydrophobicContact CB-CE1 3.81Å; H501-F521 HydrophobicContact CB-CG 4.34Å; H501-F521 AromaticContact CD2-CD1 3.9Å; H501-F521 AromaticContact CD2-CE1 3.45Å; H501-F521 VanDerWaalsContact CD2-CE1 3.45Å; H501-F521 WeakPolarHBondContact CD2-CE1 3.35Å; H501-F521 AromaticContact CD2-CZ 3.76Å; H501-F521 AromaticContact CG-CD1 3.82Å; H501-F521 AromaticContact CG-CE1 3.57Å; H501-F521 CarbonylContact O-C 3.55Å; H501-F521 WeakPolarHBondContact O-CA 3.2Å; Y506-F521 HydrophobicContact CE2-CD1 4.05Å; Y506-F521 HydrophobicContact CE2-CE1 4.13Å; Y506-F521 AromaticContact CZ-CE1 3.79Å; Y506-F521 VanDerWaalsContact OH-CE1 3.32Å; Y506-F521 WeakPolarHBondContact OH-CE1 3.36Å; M519-F521 HydrophobicContact CB-CE2 4.21Å; M519-F521 HydrophobicContact CE-CE2 3.82Å; M519-F521 HydrophobicContact CE-CZ 3.51Å; M519-F521 HydrophobicContact SD-CE2 4.4Å; F521-F526 HydrophobicContact CB-CE2 4.49Å; F521-F526 HydrophobicContact CD1-CE2 4.32Å; F521-F526 AromaticContact CD1-CZ 3.64Å; F521-F526 HydrophobicContact CD1-CZ 3.64Å; F521-F526 AromaticContact CE1-CZ 3.92Å; F521-F526 HydrophobicContact CE1-CZ 3.92Å; F521-F526 HydrophobicContact CG-CE2 4.48Å; F521-F526 HydrophobicContact CG-CZ 4.06Å; F521-F540 PolarHBondContact N-O 2.8Å; F521-F541 HydrophobicContact CB-CD1 3.62Å; F521-F541 HydrophobicContact CB-CE1 4.06Å; F521-F541 HydrophobicContact CB-CG 4.43Å; F521-F541 HydrophobicContact CD1-CE1 4.46Å; F521-F541 AromaticContact CD2-CD1 3.61Å; F521-F541 HydrophobicContact CD2-CD1 3.61Å; F521-F541 AromaticContact CD2-CE1 3.2Å; F521-F541 HydrophobicContact CD2-CE1 3.2Å; F521-F541 HydrophobicContact CD2-CE2 4.47Å; F521-F541 HydrophobicContact CD2-CG 4.41Å; F521-F541 AromaticContact CD2-CZ 3.7Å; F521-F541 HydrophobicContact CD2-CZ 3.7Å; F521-F541 HydrophobicContact CE2-CD1 4.49Å; F521-F541 AromaticContact CE2-CE1 3.67Å; F521-F541 HydrophobicContact CE2-CE1 3.67Å; F521-F541 AromaticContact CE2-CZ 3.84Å; F521-F541 HydrophobicContact CE2-CZ 3.84Å; F521-F541 AromaticContact CG-CD1 3.79Å; F521-F541 HydrophobicContact CG-CD1 3.79Å; F521-F541 AromaticContact CG-CE1 3.67Å; F521-F541 HydrophobicContact CG-CE1 3.67Å; F521-F541 HydrophobicContact CZ-CE1 4.46Å; F521-K542 PolarHBondContact O-N 3Å; F521-C544 PolarHBondContact O-SG 3.29Å
522	E	94.4	Very high	90.9	Very high	39 Å²	39	39.7 Å²	39.7	18%	0.182	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	125.9	-177.9	-54.5	-172.1	142.5	0	0	110.2	H501 R502 Q503 V520 S524 K542	H501-E522 PolarHBondContact O-N 3.19Å; R502-E522 WeakPolarHBondContact CA-O 3.39Å; R502-E522 HydrophobicContact CG-CB 4.33Å; R502-E522 IonicContact CZ-OE2 2.64Å; R502-E522 IonicContact NE-OE2 3.45Å; R502-E522 PolarHBondContact NE-OE2 2.99Å; R502-E522 IonicContact NH2-OE2 3.72Å; R502-E522 PolarHBondContact NH2-OE2 3.5Å; Q503-E522 PolarHBondContact N-O 3.16Å; V520-E522 HydrophobicContact CG1-CG 3.67Å; E522-S524 PolarHBondContact O-N 2.99Å; E522-S524 VanDerWaalsContact O-N 3.14Å; E522-S524 PolarHBondContact O-OG 3.05Å; E522-K542 WeakPolarHBondContact CA-O 3.21Å; E522-K542 HydrophobicContact CG-CB 4.44Å; E522-K542 HydrophobicContact CG-CD 4.43Å; E522-K542 IonicContact OE1-NZ 3.72Å; E522-K542 PolarHBondContact OE1-NZ 2.77Å
523	D	94.9	Very high	90.7	Very high	88 Å²	88	39.5 Å²	39.5	47%	0.471	19%	0.194	S	C	.	.	S	Bend	trans	54.6	30.1	178.5	-55.7	-45	0	0	0	113.7	Q503 K542 N543	Q503-D523 WeakPolarHBondContact CA-O 3.32Å; Q503-D523 HydrophobicContact CG-CB 4.37Å; D523-K542 PolarHBondContact N-O 2.97Å; D523-N543 WeakPolarHBondContact OD1-CB 3.39Å; D523-N543 PolarHBondContact OD1-ND2 3.33Å; D523-N543 VanDerWaalsContact OD1-ND2 3.1Å
524	S	95.6	Very high	90.6	Very high	2 Å²	2	33.8 Å²	33.8	1%	0.014	16%	0.163	C	C	.	.			trans	-93	148.8	-178.6	-59	0	0	0	0	113.1	G504 E522 C544 T545	G504-S524 PolarHBondContact N-OG 3.03Å; G504-S524 VanDerWaalsContact N-OG 3.12Å; G504-S524 CarbonylContact O-C 3.44Å; G504-S524 VanDerWaalsContact O-CA 3.22Å; G504-S524 WeakPolarHBondContact O-CA 3.32Å; G504-S524 WeakPolarHBondContact O-CB 3.2Å; E522-S524 PolarHBondContact O-N 2.99Å; E522-S524 VanDerWaalsContact O-N 3.14Å; E522-S524 PolarHBondContact O-OG 3.05Å; S524-C544 CarbonylContact O-C 3.53Å; S524-C544 WeakPolarHBondContact O-CA 3.21Å; S524-C544 WeakPolarHBondContact O-CB 3.35Å; S524-T545 PolarHBondContact O-N 3.03Å
525	L	95.4	Very high	90.3	Very high	55 Å²	55	34.6 Å²	34.6	29%	0.288	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	127.9	175.9	177.1	66.2	0	0	0	110	G504 Y506 T545 I547	G504-L525 PolarHBondContact O-N 2.94Å; Y506-L525 PolarHBondContact N-O 3.13Å; L525-T545 WeakPolarHBondContact CA-O 3.4Å; L525-T545 HydrophobicContact CD1-CG2 4.06Å; L525-I547 HydrophobicContact CD1-CD1 3.89Å; L525-I547 HydrophobicContact CD1-CG1 4.21Å
526	F	95.7	Very high	89.9	Confident	0 Å²	0	32 Å²	32	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	116.8	172	-66.3	-93.3	0	0	0	108.5	Y506 F511 F521 C529 F531 F541 C544 T545 F546 I547	Y506-F526 HydrophobicContact CD1-CE1 4.27Å; Y506-F526 AromaticContact CD2-CD1 3.55Å; Y506-F526 HydrophobicContact CD2-CD1 3.55Å; Y506-F526 HydrophobicContact CD2-CD2 4.28Å; Y506-F526 AromaticContact CD2-CE1 3.22Å; Y506-F526 HydrophobicContact CD2-CE1 3.22Å; Y506-F526 HydrophobicContact CD2-CE2 4.01Å; Y506-F526 HydrophobicContact CD2-CG 4.07Å; Y506-F526 AromaticContact CD2-CZ 3.47Å; Y506-F526 HydrophobicContact CD2-CZ 3.47Å; Y506-F526 VanDerWaalsContact CD2-CZ 3.47Å; Y506-F526 HydrophobicContact CE2-CD1 4.41Å; Y506-F526 AromaticContact CE2-CE1 3.67Å; Y506-F526 HydrophobicContact CE2-CE1 3.67Å; Y506-F526 HydrophobicContact CE2-CE2 4.16Å; Y506-F526 AromaticContact CE2-CZ 3.52Å; Y506-F526 HydrophobicContact CE2-CZ 3.52Å; Y506-F526 AromaticContact CG-CD1 3.73Å; Y506-F526 HydrophobicContact CG-CD1 3.73Å; Y506-F526 AromaticContact CG-CE1 3.55Å; Y506-F526 HydrophobicContact CG-CE1 3.55Å; Y506-F526 HydrophobicContact CG-CZ 4.26Å; F511-F526 HydrophobicContact CE2-CE1 4.38Å; F511-F526 HydrophobicContact CZ-CE1 4.33Å; F521-F526 HydrophobicContact CB-CE2 4.49Å; F521-F526 HydrophobicContact CD1-CE2 4.32Å; F521-F526 AromaticContact CD1-CZ 3.64Å; F521-F526 HydrophobicContact CD1-CZ 3.64Å; F521-F526 AromaticContact CE1-CZ 3.92Å; F521-F526 HydrophobicContact CE1-CZ 3.92Å; F521-F526 HydrophobicContact CG-CE2 4.48Å; F521-F526 HydrophobicContact CG-CZ 4.06Å; F526-C529 HydrophobicContact CB-CB 4.46Å; F526-F531 HydrophobicContact CD1-CE2 4.4Å; F526-F531 HydrophobicContact CD1-CZ 4.01Å; F526-F531 HydrophobicContact CE1-CZ 4.02Å; F526-F541 HydrophobicContact CE2-CD1 4.01Å; F526-F541 HydrophobicContact CE2-CE1 4.01Å; F526-F541 HydrophobicContact CZ-CD1 4.27Å; F526-F541 AromaticContact CZ-CE1 3.81Å; F526-F541 HydrophobicContact CZ-CE1 3.81Å; F526-C544 HydrophobicContact CE2-CB 4.49Å; F526-T545 PolarHBondContact N-O 3.48Å; F526-F546 HydrophobicContact CB-CD1 3.46Å; F526-F546 VanDerWaalsContact CB-CD1 3.46Å; F526-F546 HydrophobicContact CB-CE1 3.75Å; F526-F546 HydrophobicContact CB-CG 4.32Å; F526-F546 HydrophobicContact CD1-CE1 4.19Å; F526-F546 AromaticContact CD2-CD1 3.89Å; F526-F546 HydrophobicContact CD2-CD1 3.89Å; F526-F546 AromaticContact CD2-CE1 3.39Å; F526-F546 HydrophobicContact CD2-CE1 3.39Å; F526-F546 HydrophobicContact CD2-CE2 4.46Å; F526-F546 AromaticContact CD2-CZ 3.73Å; F526-F546 HydrophobicContact CD2-CZ 3.73Å; F526-F546 AromaticContact CE2-CE1 3.99Å; F526-F546 HydrophobicContact CE2-CE1 3.99Å; F526-F546 HydrophobicContact CE2-CZ 4Å; F526-F546 AromaticContact CG-CD1 3.8Å; F526-F546 HydrophobicContact CG-CD1 3.8Å; F526-F546 AromaticContact CG-CE1 3.51Å; F526-F546 HydrophobicContact CG-CE1 3.51Å; F526-F546 HydrophobicContact CG-CZ 4.31Å; F526-F546 CarbonylContact O-C 3.51Å; F526-F546 WeakPolarHBondContact O-CA 3.24Å; F526-I547 PolarHBondContact O-N 3.11Å
527	E	95.3	Very high	89.5	Confident	68 Å²	68	33.3 Å²	33.3	32%	0.318	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	127.1	-177.5	-178.3	169.7	-157.3	0	0	109.6	Y506 F507 N508 C529 I547	Y506-E527 PolarHBondContact O-N 2.58Å; F507-E527 WeakPolarHBondContact CA-O 3.29Å; F507-E527 HydrophobicContact CD2-CB 3.99Å; F507-E527 HydrophobicContact CD2-CG 3.86Å; F507-E527 HydrophobicContact CE2-CG 3.95Å; N508-E527 PolarHBondContact N-O 3.19Å; E527-C529 PolarHBondContact O-N 3.02Å; E527-C529 VanDerWaalsContact O-N 3.11Å; E527-I547 WeakPolarHBondContact CA-O 3.31Å; E527-I547 HydrophobicContact CG-CB 4.35Å
528	E	94.4	Very high	89.2	Confident	82 Å²	82	36.8 Å²	36.8	38%	0.383	19%	0.188	S	C	.	.	S	Bend	trans	56.6	25	-177.5	-58.9	-175.5	174.9	0	0	114.4	N508 Y530 I547 A548	N508-E528 HydrophobicContact CB-CB 4.49Å; E528-Y530 WeakPolarHBondContact O-CD2 3.39Å; E528-Y530 VanDerWaalsContact O-CE2 3.28Å; E528-Y530 WeakPolarHBondContact O-CE2 2.96Å; E528-I547 PolarHBondContact N-O 2.87Å; E528-A548 HydrophobicContact CG-CB 4.37Å
529	C	94.1	Very high	89.4	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.178	C	C	.	.			trans	-80	154.9	179.1	-62.8	0	0	0	0	113.1	D509 F526 E527 F531 T549 L550	D509-C529 CarbonylContact O-C 3.58Å; D509-C529 VanDerWaalsContact O-CA 3.22Å; D509-C529 WeakPolarHBondContact O-CA 3.27Å; F526-C529 HydrophobicContact CB-CB 4.46Å; E527-C529 PolarHBondContact O-N 3.02Å; E527-C529 VanDerWaalsContact O-N 3.11Å; C529-F531 HydrophobicContact CB-CE2 4.06Å; C529-T549 HydrophobicContact CB-CG2 4.04Å; C529-T549 VanDerWaalsContact O-CA 3.28Å; C529-T549 WeakPolarHBondContact O-CA 3.42Å; C529-T549 WeakPolarHBondContact O-CG2 3.39Å; C529-L550 PolarHBondContact O-N 3.5Å
530	Y	94.1	Very high	89.4	Confident	100 Å²	100	38.2 Å²	38.2	39%	0.392	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	127.7	177.1	-65.1	-98.5	0	0	0	110.4	D509 K510 F511 E528 L550	D509-Y530 PolarHBondContact O-N 3.48Å; K510-Y530 CarbonylContact C-O 3.47Å; K510-Y530 HydrophobicContact CG-CD2 4.24Å; F511-Y530 PolarHBondContact N-O 3.14Å; E528-Y530 WeakPolarHBondContact O-CD2 3.39Å; E528-Y530 VanDerWaalsContact O-CE2 3.28Å; E528-Y530 WeakPolarHBondContact O-CE2 2.96Å; Y530-L550 HydrophobicContact CD1-CB 3.9Å; Y530-L550 HydrophobicContact CD1-CD2 3.94Å; Y530-L550 HydrophobicContact CD1-CG 4.5Å; Y530-L550 HydrophobicContact CE1-CB 4.21Å; Y530-L550 HydrophobicContact CE1-CD2 4.14Å
531	F	93.4	Very high	89.5	Confident	2 Å²	2	37 Å²	37	1%	0.009	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	113.2	174.9	-69	-93	0	0	0	109.4	F511 M516 F526 C529 I534 F546 T549 L550 F551 Y552 T554 L556	F511-F531 HydrophobicContact CB-CD1 3.72Å; F511-F531 HydrophobicContact CB-CE1 4.08Å; F511-F531 HydrophobicContact CB-CG 4.4Å; F511-F531 HydrophobicContact CD1-CE1 4.27Å; F511-F531 AromaticContact CD2-CD1 3.82Å; F511-F531 HydrophobicContact CD2-CD1 3.82Å; F511-F531 AromaticContact CD2-CE1 3.44Å; F511-F531 HydrophobicContact CD2-CE1 3.44Å; F511-F531 VanDerWaalsContact CD2-CE1 3.44Å; F511-F531 HydrophobicContact CD2-CE2 4.21Å; F511-F531 HydrophobicContact CD2-CG 4.37Å; F511-F531 AromaticContact CD2-CZ 3.66Å; F511-F531 HydrophobicContact CD2-CZ 3.66Å; F511-F531 AromaticContact CE2-CE1 3.88Å; F511-F531 HydrophobicContact CE2-CE1 3.88Å; F511-F531 HydrophobicContact CE2-CE2 4.46Å; F511-F531 AromaticContact CE2-CZ 3.76Å; F511-F531 HydrophobicContact CE2-CZ 3.76Å; F511-F531 AromaticContact CG-CD1 3.85Å; F511-F531 HydrophobicContact CG-CD1 3.85Å; F511-F531 AromaticContact CG-CE1 3.67Å; F511-F531 HydrophobicContact CG-CE1 3.67Å; F511-F531 HydrophobicContact CG-CZ 4.35Å; F511-F531 HydrophobicContact CZ-CE1 4.45Å; M516-F531 HydrophobicContact CE-CD1 4.27Å; M516-F531 HydrophobicContact CE-CE1 3.93Å; F526-F531 HydrophobicContact CD1-CE2 4.4Å; F526-F531 HydrophobicContact CD1-CZ 4.01Å; F526-F531 HydrophobicContact CE1-CZ 4.02Å; C529-F531 HydrophobicContact CB-CE2 4.06Å; F531-I534 HydrophobicContact CB-CG1 3.92Å; F531-I534 HydrophobicContact CD1-CD1 4.24Å; F531-I534 HydrophobicContact CD1-CG1 4.03Å; F531-I534 HydrophobicContact CG-CG1 4.49Å; F531-F546 HydrophobicContact CE2-CE1 4.06Å; F531-F546 HydrophobicContact CZ-CE1 4.25Å; F531-T549 HydrophobicContact CD2-CG2 3.63Å; F531-T549 HydrophobicContact CE2-CG2 3.66Å; F531-L550 PolarHBondContact N-O 2.89Å; F531-F551 HydrophobicContact CB-CD1 3.71Å; F531-F551 HydrophobicContact CB-CE1 4.18Å; F531-F551 AromaticContact CD2-CD1 3.84Å; F531-F551 HydrophobicContact CD2-CD1 3.84Å; F531-F551 AromaticContact CD2-CE1 3.47Å; F531-F551 HydrophobicContact CD2-CE1 3.47Å; F531-F551 VanDerWaalsContact CD2-CE1 3.47Å; F531-F551 HydrophobicContact CD2-CZ 4.08Å; F531-F551 AromaticContact CE2-CE1 3.92Å; F531-F551 HydrophobicContact CE2-CE1 3.92Å; F531-F551 HydrophobicContact CE2-CZ 4.26Å; F531-F551 AromaticContact CG-CD1 3.88Å; F531-F551 HydrophobicContact CG-CD1 3.88Å; F531-F551 AromaticContact CG-CE1 3.81Å; F531-F551 HydrophobicContact CG-CE1 3.81Å; F531-Y552 PolarHBondContact O-N 2.93Å; F531-T554 HydrophobicContact CB-CG2 4.08Å; F531-L556 HydrophobicContact CD1-CD1 4.37Å
532	E	91.8	Very high	89.5	Confident	73 Å²	73	40.4 Å²	40.4	34%	0.341	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	132.8	-177.5	-167.8	172.1	150.2	0	0	110.9	F511 M512 N513 I534 Y552	F511-E532 PolarHBondContact O-N 3.4Å; M512-E532 HydrophobicContact CE-CB 3.87Å; M512-E532 HydrophobicContact CE-CG 3.98Å; M512-E532 WeakPolarHBondContact CE-OE2 3.28Å; M512-E532 HydrophobicContact SD-CB 3.48Å; M512-E532 WeakPolarHBondContact SD-CB 3.39Å; M512-E532 HydrophobicContact SD-CG 4.25Å; N513-E532 PolarHBondContact N-O 2.57Å; E532-I534 PolarHBondContact O-N 2.98Å; E532-Y552 WeakPolarHBondContact CA-O 3.43Å; E532-Y552 HydrophobicContact CG-CD1 3.9Å
533	D	87.1	Confident	89.5	Confident	52 Å²	52	42.4 Å²	42.4	28%	0.278	21%	0.21	S	C	.	.	S	Bend	trans	55.6	34.6	177.3	-73.4	-24.3	0	0	0	114	Y552 N553	D533-Y552 PolarHBondContact N-O 3.24Å; D533-Y552 VanDerWaalsContact N-O 3.08Å; D533-N553 WeakPolarHBondContact CA-O 3.47Å; D533-N553 WeakPolarHBondContact OD1-CB 3.42Å; D533-N553 PolarHBondContact OD1-ND2 3.32Å
534	I	85.5	Confident	89.5	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.187	C	C	.	.			trans	-70.9	137.7	179.2	-55	-60.5	0	0	0	110.4	F511 V514 M516 F531 E532 T554 L556 K575	F511-I534 HydrophobicContact CB-CD1 3.78Å; V514-I534 HydrophobicContact CB-CD1 3.76Å; M516-I534 HydrophobicContact CE-CD1 4.35Å; M516-I534 HydrophobicContact CG-CG2 4.39Å; M516-I534 HydrophobicContact SD-CG2 4.25Å; F531-I534 HydrophobicContact CB-CG1 3.92Å; F531-I534 HydrophobicContact CD1-CD1 4.24Å; F531-I534 HydrophobicContact CD1-CG1 4.03Å; F531-I534 HydrophobicContact CG-CG1 4.49Å; E532-I534 PolarHBondContact O-N 2.98Å; I534-T554 HydrophobicContact CB-CG2 3.79Å; I534-T554 HydrophobicContact CG1-CG2 3.77Å; I534-L556 HydrophobicContact CG2-CD1 4.38Å; I534-L556 HydrophobicContact CG2-CG 4.44Å; I534-K575 PolarHBondContact O-NZ 2.99Å
535	T	80.8	Confident	89.5	Confident	17 Å²	17	40 Å²	40	10%	0.104	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	122.8	167.2	-54.3	0	0	0	0	107.8	V514 K515 M516 K575 L580	V514-T535 PolarHBondContact O-N 3.21Å; V514-T535 VanDerWaalsContact O-N 3.15Å; K515-T535 CarbonylContact C-O 3.51Å; K515-T535 VanDerWaalsContact CA-O 3.28Å; K515-T535 WeakPolarHBondContact CA-O 3.43Å; M516-T535 PolarHBondContact N-O 3.06Å; T535-K575 PolarHBondContact OG1-NZ 2.63Å; T535-L580 HydrophobicContact CG2-CB 3.61Å; T535-L580 HydrophobicContact CG2-CD2 3.9Å; T535-L580 HydrophobicContact CG2-CG 4.23Å
536	S	77.2	Confident	89.5	Confident	6 Å²	6	37.4 Å²	37.4	4%	0.042	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	138.5	-172.8	54.8	0	0	0	0	111.4	M516 D555 L556 R560	M516-S536 CarbonylContact O-C 3.56Å; M516-S536 VanDerWaalsContact O-CA 3.24Å; M516-S536 WeakPolarHBondContact O-CA 3.43Å; S536-D555 VanDerWaalsContact N-CG 3.31Å; S536-D555 PolarHBondContact N-OD1 3.31Å; S536-D555 PolarHBondContact N-OD2 3.48Å; S536-D555 VanDerWaalsContact O-OD2 3.08Å; S536-D555 PolarHBondContact OG-OD1 3.13Å; S536-D555 PolarHBondContact OG-OD2 3.24Å; S536-L556 WeakPolarHBondContact OG-CD2 3.49Å; S536-R560 VanDerWaalsContact CB-NH1 3.29Å; S536-R560 PolarHBondContact O-NH1 3.34Å; S536-R560 PolarHBondContact O-NH2 2.96Å; S536-R560 PolarHBondContact OG-NH1 3.49Å
537	S	75	Confident	89.5	Confident	27 Å²	27	39.7 Å²	39.7	19%	0.189	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	125.3	174.8	56.3	0	0	0	0	110.5	M516 R517 S518 T539 D582	M516-S537 PolarHBondContact O-N 2.65Å; R517-S537 CarbonylContact C-O 3.52Å; R517-S537 WeakPolarHBondContact CA-O 3.45Å; R517-S537 WeakPolarHBondContact CG-OG 3.49Å; S518-S537 PolarHBondContact N-O 3.31Å; S537-T539 PolarHBondContact O-N 3.14Å; S537-T539 VanDerWaalsContact O-N 3.16Å; S537-T539 PolarHBondContact O-OG1 2.91Å; S537-D582 VanDerWaalsContact CB-OD2 3.24Å; S537-D582 WeakPolarHBondContact CB-OD2 3.48Å; S537-D582 PolarHBondContact OG-OD2 3.31Å
538	N	74.8	Confident	89.5	Confident	104 Å²	104	38.3 Å²	38.3	56%	0.556	20%	0.197	S	C	*	.	S	Bend	trans	52.1	34.7	-175.7	-165.8	42.5	0	0	0	113.8	S518 F540	S518-N538 WeakPolarHBondContact CA-O 3.42Å; S518-N538 PolarHBondContact OG-ND2 3.28Å; N538-F540 WeakPolarHBondContact OD1-CE2 3.5Å
539	T	84.4	Confident	89.4	Confident	1 Å²	1	34.5 Å²	34.5	1%	0.006	18%	0.179	C	C	.	.			trans	-108.6	134.1	-176.6	-69.5	0	0	0	0	111	M516 M519 S537 F541	M516-T539 HydrophobicContact CB-CG2 4.11Å; M516-T539 PolarHBondContact O-OG1 3.37Å; M516-T539 HydrophobicContact SD-CG2 4.43Å; M519-T539 HydrophobicContact CB-CG2 3.84Å; M519-T539 PolarHBondContact N-OG1 3.48Å; M519-T539 CarbonylContact O-C 3.57Å; M519-T539 WeakPolarHBondContact O-CA 3.45Å; S537-T539 PolarHBondContact O-N 3.14Å; S537-T539 VanDerWaalsContact O-N 3.16Å; S537-T539 PolarHBondContact O-OG1 2.91Å; T539-F541 HydrophobicContact CG2-CE2 4.19Å
540	F	88.8	Confident	89.4	Confident	58 Å²	58	36.9 Å²	36.9	25%	0.254	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	142.8	-174.2	-59.3	-83	0	0	0	112.5	M519 V520 F521 N538 I562	M519-F540 PolarHBondContact O-N 3.47Å; V520-F540 WeakPolarHBondContact CA-O 3.38Å; F521-F540 PolarHBondContact N-O 2.8Å; N538-F540 WeakPolarHBondContact OD1-CE2 3.5Å; F540-I562 HydrophobicContact CD1-CD1 4.08Å
541	F	93	Very high	89.3	Confident	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	125.6	168.8	-61.5	-96.9	0	0	0	107.8	M516 F521 F526 T539 C544 F546 L556 R560 L561 I562 C564	M516-F541 HydrophobicContact SD-CZ 4.42Å; F521-F541 HydrophobicContact CB-CD1 3.62Å; F521-F541 HydrophobicContact CB-CE1 4.06Å; F521-F541 HydrophobicContact CB-CG 4.43Å; F521-F541 HydrophobicContact CD1-CE1 4.46Å; F521-F541 AromaticContact CD2-CD1 3.61Å; F521-F541 HydrophobicContact CD2-CD1 3.61Å; F521-F541 AromaticContact CD2-CE1 3.2Å; F521-F541 HydrophobicContact CD2-CE1 3.2Å; F521-F541 HydrophobicContact CD2-CE2 4.47Å; F521-F541 HydrophobicContact CD2-CG 4.41Å; F521-F541 AromaticContact CD2-CZ 3.7Å; F521-F541 HydrophobicContact CD2-CZ 3.7Å; F521-F541 HydrophobicContact CE2-CD1 4.49Å; F521-F541 AromaticContact CE2-CE1 3.67Å; F521-F541 HydrophobicContact CE2-CE1 3.67Å; F521-F541 AromaticContact CE2-CZ 3.84Å; F521-F541 HydrophobicContact CE2-CZ 3.84Å; F521-F541 AromaticContact CG-CD1 3.79Å; F521-F541 HydrophobicContact CG-CD1 3.79Å; F521-F541 AromaticContact CG-CE1 3.67Å; F521-F541 HydrophobicContact CG-CE1 3.67Å; F521-F541 HydrophobicContact CZ-CE1 4.46Å; F526-F541 HydrophobicContact CE2-CD1 4.01Å; F526-F541 HydrophobicContact CE2-CE1 4.01Å; F526-F541 HydrophobicContact CZ-CD1 4.27Å; F526-F541 AromaticContact CZ-CE1 3.81Å; F526-F541 HydrophobicContact CZ-CE1 3.81Å; T539-F541 HydrophobicContact CG2-CE2 4.19Å; F541-C544 HydrophobicContact CB-CB 4.33Å; F541-F546 HydrophobicContact CB-CE2 4.42Å; F541-F546 HydrophobicContact CB-CZ 4.48Å; F541-F546 HydrophobicContact CD1-CE2 4.32Å; F541-F546 AromaticContact CD1-CZ 3.6Å; F541-F546 HydrophobicContact CD1-CZ 3.6Å; F541-F546 AromaticContact CE1-CZ 3.96Å; F541-F546 HydrophobicContact CE1-CZ 3.96Å; F541-F546 HydrophobicContact CG-CE2 4.45Å; F541-F546 HydrophobicContact CG-CZ 4.04Å; F541-L556 HydrophobicContact CD2-CD2 4.46Å; F541-L556 HydrophobicContact CE2-CD1 4.1Å; F541-L556 HydrophobicContact CE2-CD2 3.76Å; F541-L556 HydrophobicContact CZ-CD1 4.46Å; F541-R560 PolarHBondContact N-O 3.24Å; F541-L561 HydrophobicContact CB-CD2 3.83Å; F541-L561 HydrophobicContact CD2-CD2 3.86Å; F541-L561 HydrophobicContact CG-CD2 4.01Å; F541-I562 PolarHBondContact O-N 2.95Å; F541-C564 VanDerWaalsContact C-SG 3.59Å; F541-C564 PolarHBondContact O-SG 3.42Å
542	K	93.8	Very high	89.2	Confident	75 Å²	75	36.3 Å²	36.3	33%	0.326	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	125.2	-175.4	-62.5	-178.6	-171	167.1	0	109.8	V520 F521 E522 D523 C544 I562	V520-K542 HydrophobicContact CG1-CD 4.24Å; F521-K542 PolarHBondContact O-N 3Å; E522-K542 WeakPolarHBondContact CA-O 3.21Å; E522-K542 HydrophobicContact CG-CB 4.44Å; E522-K542 HydrophobicContact CG-CD 4.43Å; E522-K542 IonicContact OE1-NZ 3.72Å; E522-K542 PolarHBondContact OE1-NZ 2.77Å; D523-K542 PolarHBondContact N-O 2.97Å; K542-C544 PolarHBondContact O-N 2.89Å; K542-C544 PolarHBondContact O-SG 3.44Å; K542-I562 WeakPolarHBondContact CA-O 3.47Å; K542-I562 HydrophobicContact CG-CB 4.31Å; K542-I562 HydrophobicContact CG-CD1 4.36Å
543	N	95.2	Very high	88.9	Confident	81 Å²	81	35.1 Å²	35.1	43%	0.433	19%	0.185	S	C	.	.	S	Bend	trans	53.9	23.5	-178.1	-62.5	-12	0	0	0	113.8	D523 I562 N563	D523-N543 WeakPolarHBondContact OD1-CB 3.39Å; D523-N543 PolarHBondContact OD1-ND2 3.33Å; D523-N543 VanDerWaalsContact OD1-ND2 3.1Å; N543-I562 PolarHBondContact N-O 3.01Å; N543-N563 VanDerWaalsContact OD1-CB 3.31Å; N543-N563 WeakPolarHBondContact OD1-CB 3.2Å
544	C	94.7	Very high	88.7	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.172	C	C	.	.			trans	-78.6	149.3	179.9	-63.1	0	0	0	0	111	F521 S524 F526 F541 K542 F546 C564 K565	F521-C544 PolarHBondContact O-SG 3.29Å; S524-C544 CarbonylContact O-C 3.53Å; S524-C544 WeakPolarHBondContact O-CA 3.21Å; S524-C544 WeakPolarHBondContact O-CB 3.35Å; F526-C544 HydrophobicContact CE2-CB 4.49Å; F541-C544 HydrophobicContact CB-CB 4.33Å; K542-C544 PolarHBondContact O-N 2.89Å; K542-C544 PolarHBondContact O-SG 3.44Å; C544-F546 HydrophobicContact CB-CD2 4.42Å; C544-F546 HydrophobicContact CB-CE2 3.84Å; C544-F546 HydrophobicContact CB-CZ 4.39Å; C544-C564 PolarHBondContact N-SG 3.28Å; C544-C564 CarbonylContact O-C 3.57Å; C544-C564 WeakPolarHBondContact O-CA 3.24Å; C544-C564 WeakPolarHBondContact O-CB 3.46Å; C544-K565 PolarHBondContact O-N 3.04Å
545	T	95.3	Very high	88.4	Confident	39 Å²	39	32.9 Å²	32.9	24%	0.239	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	124.4	171.6	-56.9	0	0	0	0	108.8	S524 L525 F526 I547 K565 I567	S524-T545 PolarHBondContact O-N 3.03Å; L525-T545 WeakPolarHBondContact CA-O 3.4Å; L525-T545 HydrophobicContact CD1-CG2 4.06Å; F526-T545 PolarHBondContact N-O 3.48Å; T545-I547 HydrophobicContact CG2-CD1 4.23Å; T545-I547 HydrophobicContact CG2-CG1 3.93Å; T545-K565 WeakPolarHBondContact CA-O 3.33Å; T545-K565 HydrophobicContact CG2-CB 4.2Å; T545-I567 HydrophobicContact CG2-CD1 4.25Å
546	F	95.3	Very high	88.5	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	124.2	175.5	-68.6	-86.1	0	0	0	108.4	F526 F531 F541 C544 T549 F551 L561 C564 K565 L566 I567	F526-F546 HydrophobicContact CB-CD1 3.46Å; F526-F546 VanDerWaalsContact CB-CD1 3.46Å; F526-F546 HydrophobicContact CB-CE1 3.75Å; F526-F546 HydrophobicContact CB-CG 4.32Å; F526-F546 HydrophobicContact CD1-CE1 4.19Å; F526-F546 AromaticContact CD2-CD1 3.89Å; F526-F546 HydrophobicContact CD2-CD1 3.89Å; F526-F546 AromaticContact CD2-CE1 3.39Å; F526-F546 HydrophobicContact CD2-CE1 3.39Å; F526-F546 HydrophobicContact CD2-CE2 4.46Å; F526-F546 AromaticContact CD2-CZ 3.73Å; F526-F546 HydrophobicContact CD2-CZ 3.73Å; F526-F546 AromaticContact CE2-CE1 3.99Å; F526-F546 HydrophobicContact CE2-CE1 3.99Å; F526-F546 HydrophobicContact CE2-CZ 4Å; F526-F546 AromaticContact CG-CD1 3.8Å; F526-F546 HydrophobicContact CG-CD1 3.8Å; F526-F546 AromaticContact CG-CE1 3.51Å; F526-F546 HydrophobicContact CG-CE1 3.51Å; F526-F546 HydrophobicContact CG-CZ 4.31Å; F526-F546 CarbonylContact O-C 3.51Å; F526-F546 WeakPolarHBondContact O-CA 3.24Å; F531-F546 HydrophobicContact CE2-CE1 4.06Å; F531-F546 HydrophobicContact CZ-CE1 4.25Å; F541-F546 HydrophobicContact CB-CE2 4.42Å; F541-F546 HydrophobicContact CB-CZ 4.48Å; F541-F546 HydrophobicContact CD1-CE2 4.32Å; F541-F546 AromaticContact CD1-CZ 3.6Å; F541-F546 HydrophobicContact CD1-CZ 3.6Å; F541-F546 AromaticContact CE1-CZ 3.96Å; F541-F546 HydrophobicContact CE1-CZ 3.96Å; F541-F546 HydrophobicContact CG-CE2 4.45Å; F541-F546 HydrophobicContact CG-CZ 4.04Å; C544-F546 HydrophobicContact CB-CD2 4.42Å; C544-F546 HydrophobicContact CB-CE2 3.84Å; C544-F546 HydrophobicContact CB-CZ 4.39Å; F546-T549 HydrophobicContact CD1-CG2 4.03Å; F546-F551 HydrophobicContact CD1-CE2 4.47Å; F546-F551 AromaticContact CD1-CZ 3.79Å; F546-F551 HydrophobicContact CD1-CZ 3.79Å; F546-F551 HydrophobicContact CE1-CE1 4.46Å; F546-F551 AromaticContact CE1-CZ 3.84Å; F546-F551 HydrophobicContact CE1-CZ 3.84Å; F546-F551 HydrophobicContact CG-CZ 4.28Å; F546-F551 HydrophobicContact CZ-CZ 4.36Å; F546-L561 HydrophobicContact CE2-CD2 3.94Å; F546-L561 HydrophobicContact CZ-CD2 4.34Å; F546-C564 HydrophobicContact CD2-CB 4.5Å; F546-C564 HydrophobicContact CE2-CB 4.42Å; F546-K565 PolarHBondContact N-O 3.48Å; F546-L566 HydrophobicContact CB-CD2 3.86Å; F546-L566 HydrophobicContact CD2-CD2 4.1Å; F546-L566 HydrophobicContact CG-CD2 4.16Å; F546-I567 PolarHBondContact O-N 3.02Å
547	I	95.3	Very high	88.5	Confident	49 Å²	49	34.6 Å²	34.6	25%	0.251	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	126.1	-179.6	-53.7	-177.4	0	0	0	107.9	L525 F526 E527 E528 T545 T549 I567	L525-I547 HydrophobicContact CD1-CD1 3.89Å; L525-I547 HydrophobicContact CD1-CG1 4.21Å; F526-I547 PolarHBondContact O-N 3.11Å; E527-I547 WeakPolarHBondContact CA-O 3.31Å; E527-I547 HydrophobicContact CG-CB 4.35Å; E528-I547 PolarHBondContact N-O 2.87Å; T545-I547 HydrophobicContact CG2-CD1 4.23Å; T545-I547 HydrophobicContact CG2-CG1 3.93Å; I547-T549 PolarHBondContact O-N 2.96Å; I547-T549 VanDerWaalsContact O-N 3.09Å; I547-T549 PolarHBondContact O-OG1 2.93Å; I547-I567 WeakPolarHBondContact CA-O 3.45Å; I547-I567 HydrophobicContact CG1-CB 4.43Å; I547-I567 HydrophobicContact CG1-CD1 4.4Å
548	A	94.8	Very high	88.6	Confident	39 Å²	39	42.6 Å²	42.6	32%	0.322	21%	0.21	S	C	.	.	S	Bend	trans	51.2	36.5	177.6	0	0	0	0	0	113.5	E528 I567	E528-A548 HydrophobicContact CG-CB 4.37Å; A548-I567 PolarHBondContact N-O 3.37Å
549	T	93.9	Very high	88.7	Confident	2 Å²	2	44.3 Å²	44.3	1%	0.012	21%	0.209	C	C	.	.			trans	-94.9	134.9	-176.1	-46.8	0	0	0	0	111.3	C529 F531 F546 I547 F551 S569 T570	C529-T549 HydrophobicContact CB-CG2 4.04Å; C529-T549 VanDerWaalsContact O-CA 3.28Å; C529-T549 WeakPolarHBondContact O-CA 3.42Å; C529-T549 WeakPolarHBondContact O-CG2 3.39Å; F531-T549 HydrophobicContact CD2-CG2 3.63Å; F531-T549 HydrophobicContact CE2-CG2 3.66Å; F546-T549 HydrophobicContact CD1-CG2 4.03Å; I547-T549 PolarHBondContact O-N 2.96Å; I547-T549 VanDerWaalsContact O-N 3.09Å; I547-T549 PolarHBondContact O-OG1 2.93Å; T549-F551 HydrophobicContact CG2-CD2 4.39Å; T549-F551 HydrophobicContact CG2-CE1 4.43Å; T549-F551 HydrophobicContact CG2-CE2 3.78Å; T549-F551 HydrophobicContact CG2-CZ 3.81Å; T549-S569 CarbonylContact O-C 3.53Å; T549-S569 WeakPolarHBondContact O-CA 3.33Å; T549-S569 VanDerWaalsContact O-CB 3.27Å; T549-S569 WeakPolarHBondContact O-CB 3.39Å; T549-T570 PolarHBondContact O-N 3.16Å; T549-T570 VanDerWaalsContact O-N 3.08Å
550	L	93.3	Very high	88.6	Confident	50 Å²	50	45.7 Å²	45.7	26%	0.262	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	127.8	174.9	-179.3	65.2	0	0	0	111.1	C529 Y530 F531 T570 L572	C529-L550 PolarHBondContact O-N 3.5Å; Y530-L550 HydrophobicContact CD1-CB 3.9Å; Y530-L550 HydrophobicContact CD1-CD2 3.94Å; Y530-L550 HydrophobicContact CD1-CG 4.5Å; Y530-L550 HydrophobicContact CE1-CB 4.21Å; Y530-L550 HydrophobicContact CE1-CD2 4.14Å; F531-L550 PolarHBondContact N-O 2.89Å; L550-T570 WeakPolarHBondContact CD1-OG1 3.36Å; L550-L572 HydrophobicContact CD1-CD1 3.91Å; L550-L572 HydrophobicContact CD1-CG 4.34Å
551	F	92.1	Very high	88.6	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	112.5	170.9	-61.6	-87.7	0	0	0	109.7	F531 F546 T549 T554 L556 L566 T570 F571 L572	F531-F551 HydrophobicContact CB-CD1 3.71Å; F531-F551 HydrophobicContact CB-CE1 4.18Å; F531-F551 AromaticContact CD2-CD1 3.84Å; F531-F551 HydrophobicContact CD2-CD1 3.84Å; F531-F551 AromaticContact CD2-CE1 3.47Å; F531-F551 HydrophobicContact CD2-CE1 3.47Å; F531-F551 VanDerWaalsContact CD2-CE1 3.47Å; F531-F551 HydrophobicContact CD2-CZ 4.08Å; F531-F551 AromaticContact CE2-CE1 3.92Å; F531-F551 HydrophobicContact CE2-CE1 3.92Å; F531-F551 HydrophobicContact CE2-CZ 4.26Å; F531-F551 AromaticContact CG-CD1 3.88Å; F531-F551 HydrophobicContact CG-CD1 3.88Å; F531-F551 AromaticContact CG-CE1 3.81Å; F531-F551 HydrophobicContact CG-CE1 3.81Å; F546-F551 HydrophobicContact CD1-CE2 4.47Å; F546-F551 AromaticContact CD1-CZ 3.79Å; F546-F551 HydrophobicContact CD1-CZ 3.79Å; F546-F551 HydrophobicContact CE1-CE1 4.46Å; F546-F551 AromaticContact CE1-CZ 3.84Å; F546-F551 HydrophobicContact CE1-CZ 3.84Å; F546-F551 HydrophobicContact CG-CZ 4.28Å; F546-F551 HydrophobicContact CZ-CZ 4.36Å; T549-F551 HydrophobicContact CG2-CD2 4.39Å; T549-F551 HydrophobicContact CG2-CE1 4.43Å; T549-F551 HydrophobicContact CG2-CE2 3.78Å; T549-F551 HydrophobicContact CG2-CZ 3.81Å; F551-T554 HydrophobicContact CB-CG2 4.39Å; F551-L556 HydrophobicContact CD1-CD1 4.1Å; F551-L556 HydrophobicContact CE1-CD1 3.92Å; F551-L566 HydrophobicContact CE2-CD2 4.05Å; F551-T570 PolarHBondContact N-O 3.04Å; F551-F571 HydrophobicContact CB-CD1 3.53Å; F551-F571 HydrophobicContact CB-CE1 3.79Å; F551-F571 HydrophobicContact CB-CG 4.12Å; F551-F571 HydrophobicContact CD1-CE1 4.12Å; F551-F571 HydrophobicContact CD2-CD1 4.01Å; F551-F571 HydrophobicContact CD2-CD2 4.3Å; F551-F571 AromaticContact CD2-CE1 3.6Å; F551-F571 HydrophobicContact CD2-CE1 3.6Å; F551-F571 AromaticContact CD2-CE2 3.91Å; F551-F571 HydrophobicContact CD2-CE2 3.91Å; F551-F571 HydrophobicContact CD2-CG 4.34Å; F551-F571 AromaticContact CD2-CZ 3.53Å; F551-F571 HydrophobicContact CD2-CZ 3.53Å; F551-F571 HydrophobicContact CE2-CE1 4.18Å; F551-F571 HydrophobicContact CE2-CE2 4.24Å; F551-F571 AromaticContact CE2-CZ 3.76Å; F551-F571 HydrophobicContact CE2-CZ 3.76Å; F551-F571 AromaticContact CG-CD1 3.86Å; F551-F571 HydrophobicContact CG-CD1 3.86Å; F551-F571 AromaticContact CG-CE1 3.56Å; F551-F571 HydrophobicContact CG-CE1 3.56Å; F551-F571 HydrophobicContact CG-CZ 4.01Å; F551-F571 HydrophobicContact CZ-CZ 4.41Å; F551-F571 CarbonylContact O-C 3.57Å; F551-F571 WeakPolarHBondContact O-CA 3.47Å; F551-L572 PolarHBondContact O-N 3.36Å
552	Y	90.4	Very high	88.3	Confident	89 Å²	89	47.1 Å²	47.1	35%	0.349	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	124.4	-179.6	-173.7	-88.4	0	0	0	110.8	F531 E532 D533 T554 L572 H573	F531-Y552 PolarHBondContact O-N 2.93Å; E532-Y552 WeakPolarHBondContact CA-O 3.43Å; E532-Y552 HydrophobicContact CG-CD1 3.9Å; D533-Y552 PolarHBondContact N-O 3.24Å; D533-Y552 VanDerWaalsContact N-O 3.08Å; Y552-T554 WeakPolarHBondContact O-CG2 3.03Å; Y552-T554 PolarHBondContact O-N 3.42Å; Y552-L572 WeakPolarHBondContact CA-O 3.41Å; Y552-L572 HydrophobicContact CD2-CB 3.76Å; Y552-L572 HydrophobicContact CD2-CD1 4.26Å; Y552-L572 HydrophobicContact CE2-CB 4.36Å; Y552-H573 AromaticContact CE2-CD2 3.88Å
553	N	85.5	Confident	88.2	Confident	48 Å²	48	49.7 Å²	49.7	26%	0.257	24%	0.242	S	C	.	.	S	Bend	trans	53.1	48.7	179.3	-159.6	21.9	0	0	0	114	D533 L572 H573 K575	D533-N553 WeakPolarHBondContact CA-O 3.47Å; D533-N553 WeakPolarHBondContact OD1-CB 3.42Å; D533-N553 PolarHBondContact OD1-ND2 3.32Å; N553-L572 PolarHBondContact N-O 2.96Å; N553-H573 VanDerWaalsContact CA-O 3.23Å; N553-H573 WeakPolarHBondContact CA-O 3.3Å; N553-K575 WeakPolarHBondContact O-CE 3.37Å; N553-K575 PolarHBondContact O-NZ 2.88Å; N553-K575 VanDerWaalsContact OD1-CE 3.26Å; N553-K575 WeakPolarHBondContact OD1-CE 3.43Å; N553-K575 WeakPolarHBondContact OD1-CG 3.34Å
554	T	84.8	Confident	88	Confident	1 Å²	1	47 Å²	47	1%	0.006	23%	0.229	C	C	.	.			trans	-114.4	161.6	-178.1	72.7	0	0	0	0	112.4	F531 I534 F551 Y552 K575	F531-T554 HydrophobicContact CB-CG2 4.08Å; I534-T554 HydrophobicContact CB-CG2 3.79Å; I534-T554 HydrophobicContact CG1-CG2 3.77Å; F551-T554 HydrophobicContact CB-CG2 4.39Å; Y552-T554 WeakPolarHBondContact O-CG2 3.03Å; Y552-T554 PolarHBondContact O-N 3.42Å; T554-K575 PolarHBondContact O-N 2.9Å
555	D	78.9	Confident	87.9	Confident	4 Å²	4	54 Å²	54	2%	0.021	26%	0.259	C	S	.	.			trans	-106.6	18.4	174.7	68.5	-22.1	0	0	0	113.5	S536 F557 R560 L580	S536-D555 VanDerWaalsContact N-CG 3.31Å; S536-D555 PolarHBondContact N-OD1 3.31Å; S536-D555 PolarHBondContact N-OD2 3.48Å; S536-D555 VanDerWaalsContact O-OD2 3.08Å; S536-D555 PolarHBondContact OG-OD1 3.13Å; S536-D555 PolarHBondContact OG-OD2 3.24Å; D555-F557 VanDerWaalsContact C-N 3.27Å; D555-F557 HydrophobicContact CB-CE2 4.37Å; D555-F557 WeakPolarHBondContact O-CD2 3.31Å; D555-F557 PolarHBondContact O-N 3.22Å; D555-R560 IonicContact OD2-NH1 3.97Å; D555-L580 HydrophobicContact CB-CD1 3.26Å
556	L	82.4	Confident	87.8	Confident	3 Å²	3	55.8 Å²	55.8	2%	0.016	27%	0.267	C	S	.	.			trans	-81.9	72.4	179.1	-65.2	177.9	0	0	0	110.5	F531 I534 S536 F541 F551	F531-L556 HydrophobicContact CD1-CD1 4.37Å; I534-L556 HydrophobicContact CG2-CD1 4.38Å; I534-L556 HydrophobicContact CG2-CG 4.44Å; S536-L556 WeakPolarHBondContact OG-CD2 3.49Å; F541-L556 HydrophobicContact CD2-CD2 4.46Å; F541-L556 HydrophobicContact CE2-CD1 4.1Å; F541-L556 HydrophobicContact CE2-CD2 3.76Å; F541-L556 HydrophobicContact CZ-CD1 4.46Å; F551-L556 HydrophobicContact CD1-CD1 4.1Å; F551-L556 HydrophobicContact CE1-CD1 3.92Å
557	F	77.3	Confident	87.7	Confident	57 Å²	57	60 Å²	60	25%	0.25	29%	0.288	C	S	.	.			trans	-72.6	165.9	177.1	-57.7	-77.4	0	0	0	113	D555 Y559 R560 K575	D555-F557 VanDerWaalsContact C-N 3.27Å; D555-F557 HydrophobicContact CB-CE2 4.37Å; D555-F557 WeakPolarHBondContact O-CD2 3.31Å; D555-F557 PolarHBondContact O-N 3.22Å; F557-Y559 HydrophobicContact CB-CD1 3.58Å; F557-Y559 HydrophobicContact CB-CE1 3.51Å; F557-Y559 HydrophobicContact CD2-CD1 4.45Å; F557-Y559 AromaticContact CD2-CE1 3.54Å; F557-Y559 HydrophobicContact CD2-CE1 3.54Å; F557-Y559 HydrophobicContact CG-CD1 4.37Å; F557-Y559 AromaticContact CG-CE1 3.87Å; F557-Y559 HydrophobicContact CG-CE1 3.87Å; F557-Y559 PolarHBondContact O-N 2.96Å; F557-R560 PolarHBondContact O-N 3.48Å; F557-K575 WeakPolarHBondContact CZ-O 3.36Å
558	K	76.2	Confident	87.5	Confident	194 Å²	194	64.3 Å²	64.3	84%	0.843	31%	0.312	S	S	*	.	G	3₁₀ helix	trans	-52	-32.1	180	-166	173.8	-178	178.4	0	114.4	R560 L561	K558-R560 VanDerWaalsContact C-N 3.26Å; K558-R560 PolarHBondContact O-N 2.81Å; K558-L561 PolarHBondContact O-N 3.35Å
559	Y	78.6	Confident	87.3	Confident	140 Å²	140	63.6 Å²	63.6	55%	0.549	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	-70.5	-19	178.6	73.4	-95.7	0	0	0	113.9	F557	F557-Y559 HydrophobicContact CB-CD1 3.58Å; F557-Y559 HydrophobicContact CB-CE1 3.51Å; F557-Y559 HydrophobicContact CD2-CD1 4.45Å; F557-Y559 AromaticContact CD2-CE1 3.54Å; F557-Y559 HydrophobicContact CD2-CE1 3.54Å; F557-Y559 HydrophobicContact CG-CD1 4.37Å; F557-Y559 AromaticContact CG-CE1 3.87Å; F557-Y559 HydrophobicContact CG-CE1 3.87Å; F557-Y559 PolarHBondContact O-N 2.96Å
560	R	82	Confident	87.1	Confident	31 Å²	31	67 Å²	67	12%	0.117	33%	0.325	C	S	.	.	G	3₁₀ helix	trans	-89.2	-15.7	176.2	-59	-171.5	179.7	-158.4	2.1	112.9	S536 F541 D555 F557 K558	S536-R560 VanDerWaalsContact CB-NH1 3.29Å; S536-R560 PolarHBondContact O-NH1 3.34Å; S536-R560 PolarHBondContact O-NH2 2.96Å; S536-R560 PolarHBondContact OG-NH1 3.49Å; F541-R560 PolarHBondContact N-O 3.24Å; D555-R560 IonicContact OD2-NH1 3.97Å; F557-R560 PolarHBondContact O-N 3.48Å; K558-R560 VanDerWaalsContact C-N 3.26Å; K558-R560 PolarHBondContact O-N 2.81Å
561	L	87.2	Confident	86.9	Confident	19 Å²	19	67.9 Å²	67.9	10%	0.099	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	80.2	178.6	-60.3	177.5	0	0	0	109.4	F541 F546 K558 N563 C564 L566 F571	F541-L561 HydrophobicContact CB-CD2 3.83Å; F541-L561 HydrophobicContact CD2-CD2 3.86Å; F541-L561 HydrophobicContact CG-CD2 4.01Å; F546-L561 HydrophobicContact CE2-CD2 3.94Å; F546-L561 HydrophobicContact CZ-CD2 4.34Å; K558-L561 PolarHBondContact O-N 3.35Å; L561-N563 PolarHBondContact O-N 3.49Å; L561-C564 HydrophobicContact CB-CB 4.09Å; L561-L566 HydrophobicContact CD1-CD1 4.15Å; L561-F571 HydrophobicContact CD1-CZ 4.01Å
562	I	88.4	Confident	86.6	Confident	69 Å²	69	72 Å²	72	35%	0.354	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	118.6	-175.3	-56	171.7	0	0	0	108.8	F540 F541 K542 N543 C564	F540-I562 HydrophobicContact CD1-CD1 4.08Å; F541-I562 PolarHBondContact O-N 2.95Å; K542-I562 WeakPolarHBondContact CA-O 3.47Å; K542-I562 HydrophobicContact CG-CB 4.31Å; K542-I562 HydrophobicContact CG-CD1 4.36Å; N543-I562 PolarHBondContact N-O 3.01Å; I562-C564 PolarHBondContact O-N 2.95Å; I562-C564 PolarHBondContact O-SG 3.37Å; I562-C564 VanDerWaalsContact O-SG 3.4Å
563	N	90.2	Very high	86	Confident	129 Å²	129	74.5 Å²	74.5	69%	0.69	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.1	27.7	-179.3	-61.9	-20.6	0	0	0	114.3	N543 L561	N543-N563 VanDerWaalsContact OD1-CB 3.31Å; N543-N563 WeakPolarHBondContact OD1-CB 3.2Å; L561-N563 PolarHBondContact O-N 3.49Å
564	C	92.7	Very high	85.4	Confident	25 Å²	25	75.7 Å²	75.7	17%	0.169	37%	0.37	C	S	.	.			trans	-84.5	145.1	179.9	-64.1	0	0	0	0	111.3	F541 C544 F546 L561 I562	F541-C564 VanDerWaalsContact C-SG 3.59Å; F541-C564 PolarHBondContact O-SG 3.42Å; C544-C564 PolarHBondContact N-SG 3.28Å; C544-C564 CarbonylContact O-C 3.57Å; C544-C564 WeakPolarHBondContact O-CA 3.24Å; C544-C564 WeakPolarHBondContact O-CB 3.46Å; F546-C564 HydrophobicContact CD2-CB 4.5Å; F546-C564 HydrophobicContact CE2-CB 4.42Å; L561-C564 HydrophobicContact CB-CB 4.09Å; I562-C564 PolarHBondContact O-N 2.95Å; I562-C564 PolarHBondContact O-SG 3.37Å; I562-C564 VanDerWaalsContact O-SG 3.4Å
565	K	92.5	Very high	84.5	Confident	145 Å²	145	77.5 Å²	77.5	63%	0.63	38%	0.377	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.8	124.2	173.7	-68.7	179.6	-178.2	176.1	0	109.4	C544 T545 F546	C544-K565 PolarHBondContact O-N 3.04Å; T545-K565 WeakPolarHBondContact CA-O 3.33Å; T545-K565 HydrophobicContact CG2-CB 4.2Å; F546-K565 PolarHBondContact N-O 3.48Å
566	L	92.2	Very high	83.5	Confident	77 Å²	77	86.4 Å²	86.4	40%	0.403	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	113.3	176.2	-68.8	151.4	0	0	0	107.9	F546 F551 L561 F571	F546-L566 HydrophobicContact CB-CD2 3.86Å; F546-L566 HydrophobicContact CD2-CD2 4.1Å; F546-L566 HydrophobicContact CG-CD2 4.16Å; F551-L566 HydrophobicContact CE2-CD2 4.05Å; L561-L566 HydrophobicContact CD1-CD1 4.15Å; L566-F571 HydrophobicContact CD1-CE2 4.17Å; L566-F571 HydrophobicContact CD1-CZ 4.47Å; L566-F571 HydrophobicContact CD2-CE2 4.07Å; L566-F571 HydrophobicContact CD2-CZ 4.19Å
567	I	93	Very high	82.1	Confident	88 Å²	88	88.6 Å²	88.6	45%	0.451	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	113.7	-178	-56.9	174.1	0	0	0	107.7	T545 F546 I547 A548 S569	T545-I567 HydrophobicContact CG2-CD1 4.25Å; F546-I567 PolarHBondContact O-N 3.02Å; I547-I567 WeakPolarHBondContact CA-O 3.45Å; I547-I567 HydrophobicContact CG1-CB 4.43Å; I547-I567 HydrophobicContact CG1-CD1 4.4Å; A548-I567 PolarHBondContact N-O 3.37Å; I567-S569 PolarHBondContact O-N 3.43Å
568	N	92	Very high	81	Confident	141 Å²	141	90 Å²	90	75%	0.754	46%	0.458	S	S	*	.	S	Bend	trans	55.4	29.6	-178.5	-156.9	25.9	0	0	0	114.1
569	S	90.1	Very high	79.9	Confident	24 Å²	24	84.7 Å²	84.7	17%	0.168	44%	0.439	C	S	.	.			trans	-95.8	143.5	177.7	-54.6	0	0	0	0	111.1	T549 I567	T549-S569 CarbonylContact O-C 3.53Å; T549-S569 WeakPolarHBondContact O-CA 3.33Å; T549-S569 VanDerWaalsContact O-CB 3.27Å; T549-S569 WeakPolarHBondContact O-CB 3.39Å; I567-S569 PolarHBondContact O-N 3.43Å
570	T	89.8	Confident	78.2	Confident	72 Å²	72	80.4 Å²	80.4	44%	0.442	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	143.3	-176.9	50.9	0	0	0	0	111.7	T549 L550 F551	T549-T570 PolarHBondContact O-N 3.16Å; T549-T570 VanDerWaalsContact O-N 3.08Å; L550-T570 WeakPolarHBondContact CD1-OG1 3.36Å; F551-T570 PolarHBondContact N-O 3.04Å
571	F	89.3	Confident	76.4	Confident	70 Å²	70	82.2 Å²	82.2	31%	0.307	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	124.9	175.1	-70.4	-97.1	0	0	0	109.2	F551 L561 L566	F551-F571 HydrophobicContact CB-CD1 3.53Å; F551-F571 HydrophobicContact CB-CE1 3.79Å; F551-F571 HydrophobicContact CB-CG 4.12Å; F551-F571 HydrophobicContact CD1-CE1 4.12Å; F551-F571 HydrophobicContact CD2-CD1 4.01Å; F551-F571 HydrophobicContact CD2-CD2 4.3Å; F551-F571 AromaticContact CD2-CE1 3.6Å; F551-F571 HydrophobicContact CD2-CE1 3.6Å; F551-F571 AromaticContact CD2-CE2 3.91Å; F551-F571 HydrophobicContact CD2-CE2 3.91Å; F551-F571 HydrophobicContact CD2-CG 4.34Å; F551-F571 AromaticContact CD2-CZ 3.53Å; F551-F571 HydrophobicContact CD2-CZ 3.53Å; F551-F571 HydrophobicContact CE2-CE1 4.18Å; F551-F571 HydrophobicContact CE2-CE2 4.24Å; F551-F571 AromaticContact CE2-CZ 3.76Å; F551-F571 HydrophobicContact CE2-CZ 3.76Å; F551-F571 AromaticContact CG-CD1 3.86Å; F551-F571 HydrophobicContact CG-CD1 3.86Å; F551-F571 AromaticContact CG-CE1 3.56Å; F551-F571 HydrophobicContact CG-CE1 3.56Å; F551-F571 HydrophobicContact CG-CZ 4.01Å; F551-F571 HydrophobicContact CZ-CZ 4.41Å; F551-F571 CarbonylContact O-C 3.57Å; F551-F571 WeakPolarHBondContact O-CA 3.47Å; L561-F571 HydrophobicContact CD1-CZ 4.01Å; L566-F571 HydrophobicContact CD1-CE2 4.17Å; L566-F571 HydrophobicContact CD1-CZ 4.47Å; L566-F571 HydrophobicContact CD2-CE2 4.07Å; L566-F571 HydrophobicContact CD2-CZ 4.19Å
572	L	85.3	Confident	74.5	Confident	86 Å²	86	83.1 Å²	83.1	45%	0.45	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	135.5	-178.6	-64.3	178.1	0	0	0	110	L550 F551 Y552 N553 N574	L550-L572 HydrophobicContact CD1-CD1 3.91Å; L550-L572 HydrophobicContact CD1-CG 4.34Å; F551-L572 PolarHBondContact O-N 3.36Å; Y552-L572 WeakPolarHBondContact CA-O 3.41Å; Y552-L572 HydrophobicContact CD2-CB 3.76Å; Y552-L572 HydrophobicContact CD2-CD1 4.26Å; Y552-L572 HydrophobicContact CE2-CB 4.36Å; N553-L572 PolarHBondContact N-O 2.96Å; L572-N574 PolarHBondContact O-N 2.86Å
573	H	78.1	Confident	72.2	Confident	142 Å²	142	83.3 Å²	83.3	66%	0.657	45%	0.451	S	S	*	.	S	Bend	trans	51	54.5	178.7	-75.7	-68.6	0	0	0	114.4	Y552 N553 K575	Y552-H573 AromaticContact CE2-CD2 3.88Å; N553-H573 VanDerWaalsContact CA-O 3.23Å; N553-H573 WeakPolarHBondContact CA-O 3.3Å; H573-K575 PolarHBondContact O-N 3.04Å
574	N	72.4	Confident	69.9	Low	72 Å²	72	79.9 Å²	79.9	39%	0.385	44%	0.437	S	S	.	.	P	Polyproline II helix	trans	-57.5	134.9	176.1	-74.5	-6.1	0	0	0	111.1	L572 E576	L572-N574 PolarHBondContact O-N 2.86Å; N574-E576 PolarHBondContact O-N 3.49Å
575	K	66.8	Low	67.9	Low	39 Å²	39	81.2 Å²	81.2	17%	0.17	44%	0.443	C	S	.	.	P	Polyproline II helix	trans	-67.8	120.3	173.8	-66.7	179.4	175.6	160.6	0	108.2	I534 T535 N553 T554 F557 H573 L580	I534-K575 PolarHBondContact O-NZ 2.99Å; T535-K575 PolarHBondContact OG1-NZ 2.63Å; N553-K575 WeakPolarHBondContact O-CE 3.37Å; N553-K575 PolarHBondContact O-NZ 2.88Å; N553-K575 VanDerWaalsContact OD1-CE 3.26Å; N553-K575 WeakPolarHBondContact OD1-CE 3.43Å; N553-K575 WeakPolarHBondContact OD1-CG 3.34Å; T554-K575 PolarHBondContact O-N 2.9Å; F557-K575 WeakPolarHBondContact CZ-O 3.36Å; H573-K575 PolarHBondContact O-N 3.04Å; K575-L580 HydrophobicContact CB-CD1 3.88Å; K575-L580 HydrophobicContact CD-CD1 3.31Å; K575-L580 HydrophobicContact CD-CD2 3.61Å; K575-L580 HydrophobicContact CD-CG 3.92Å; K575-L580 HydrophobicContact CG-CD1 4.22Å
576	E	57.3	Low	65.6	Low	192 Å²	192	78 Å²	78	90%	0.897	43%	0.43	S	S	*	.	P	Polyproline II helix	trans	-90.5	134.3	178.2	-67.2	-174.5	172.4	0	0	110.9	N574	N574-E576 PolarHBondContact O-N 3.49Å
577	G	53.5	Low	63.4	Low	49 Å²	49	79.8 Å²	79.8	51%	0.505	44%	0.44	S	S	.	.	S	Bend	trans	126.2	152.1	177.5	0	0	0	0	0	113.7	L579	G577-L579 PolarHBondContact O-N 2.69Å
578	C	53.2	Low	61.7	Low	86 Å²	86	80.1 Å²	80.1	58%	0.581	44%	0.443	S	S	*	.	S	Bend	trans	-72.3	-8.1	174.6	-154.1	0	0	0	0	112.8	C194	C194-C578 HydrophobicContact CB-CB 4.47Å; C194-C578 WeakPolarHBondContact CB-SG 3.25Å; C194-C578 WeakPolarHBondContact SG-CB 3.48Å; C194-C578 CovalentContact SG-SG 2.02Å; C194-C578 PolarHBondContact SG-SG 3.04Å
579	L	52.7	Low	60	Low	82 Å²	82	75.1 Å²	75.1	43%	0.429	42%	0.421	S	S	.	.			trans	-116.1	109.7	-174.6	-85.7	152.3	0	0	0	109.8	K191 G577	K191-L579 HydrophobicContact CB-CD2 4.09Å; G577-L579 PolarHBondContact O-N 2.69Å
580	L	44.2	Very low	58.9	Low	51 Å²	51	77.9 Å²	77.9	27%	0.267	43%	0.429	S	S	.	.			trans	-105.1	124.9	140.7	-97.1	135.2	0	0	0	109	T535 D555 K575 D582	T535-L580 HydrophobicContact CG2-CB 3.61Å; T535-L580 HydrophobicContact CG2-CD2 3.9Å; T535-L580 HydrophobicContact CG2-CG 4.23Å; D555-L580 HydrophobicContact CB-CD1 3.26Å; K575-L580 HydrophobicContact CB-CD1 3.88Å; K575-L580 HydrophobicContact CD-CD1 3.31Å; K575-L580 HydrophobicContact CD-CD2 3.61Å; K575-L580 HydrophobicContact CD-CG 3.92Å; K575-L580 HydrophobicContact CG-CD1 4.22Å; L580-D582 PolarHBondContact O-N 3.38Å
581	S	43.9	Very low	57.7	Low	69 Å²	69	78.8 Å²	78.8	48%	0.483	43%	0.429	S	S	.	.			trans	-51.6	101.6	177.6	41.1	0	0	0	0	112	V583	S581-V583 PolarHBondContact O-N 3.18Å
582	D	47.2	Very low	56.8	Low	38 Å²	38	79.4 Å²	79.4	20%	0.203	44%	0.438	C	S	.	.			trans	-71.9	79.6	157.5	-94.8	-27.8	0	0	0	108.5	R517 S537 L580 S584 D585	R517-D582 IonicContact CZ-OD1 3.07Å; R517-D582 VanDerWaalsContact CZ-OD1 3.31Å; R517-D582 IonicContact NE-OD1 2.84Å; R517-D582 PolarHBondContact NE-OD1 3.47Å; R517-D582 IonicContact NH2-OD1 3.38Å; R517-D582 PolarHBondContact NH2-OD1 3.3Å; R517-D582 IonicContact NH2-OD2 3.68Å; S537-D582 VanDerWaalsContact CB-OD2 3.24Å; S537-D582 WeakPolarHBondContact CB-OD2 3.48Å; S537-D582 PolarHBondContact OG-OD2 3.31Å; L580-D582 PolarHBondContact O-N 3.38Å; D582-S584 PolarHBondContact O-N 2.97Å; D582-D585 HydrophobicContact CB-CB 4.1Å; D582-D585 WeakPolarHBondContact O-CB 3.34Å; D582-D585 PolarHBondContact O-N 2.95Å
583	V	41	Very low	56.3	Low	72 Å²	72	75.7 Å²	75.7	44%	0.436	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-18.9	178.3	174.6	0	0	0	0	112.8	S581 E586	S581-V583 PolarHBondContact O-N 3.18Å; V583-E586 WeakPolarHBondContact O-CG 3.39Å
584	S	40	Very low	56.1	Low	57 Å²	57	72.7 Å²	72.7	40%	0.399	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.7	-1.3	174.2	63.2	0	0	0	0	115.4	R517 D582 E586	R517-S584 PolarHBondContact NH1-OG 3.22Å; R517-S584 PolarHBondContact NH2-OG 2.97Å; D582-S584 PolarHBondContact O-N 2.97Å; S584-E586 VanDerWaalsContact C-N 3.3Å
585	D	50.6	Low	56	Low	54 Å²	54	72.8 Å²	72.8	29%	0.289	41%	0.407	S	S	.	.	S	Bend	trans	-79.9	-12.8	166.1	-122.6	14.5	0	0	0	111.9	K191 D582 N587 N588 A589	K191-D585 IonicContact NZ-OD2 2.84Å; K191-D585 PolarHBondContact NZ-OD2 3.47Å; D582-D585 HydrophobicContact CB-CB 4.1Å; D582-D585 WeakPolarHBondContact O-CB 3.34Å; D582-D585 PolarHBondContact O-N 2.95Å; D585-N587 PolarHBondContact O-N 3.45Å; D585-N588 PolarHBondContact O-N 2.96Å; D585-N588 VanDerWaalsContact O-N 3.15Å; D585-A589 WeakPolarHBondContact O-CB 3.26Å; D585-A589 PolarHBondContact O-N 3.32Å
586	E	45.1	Very low	56.3	Low	77 Å²	77	73.2 Å²	73.2	36%	0.36	42%	0.415	S	S	.	.	H	α-helix	trans	-61.7	-41.7	-178.5	-66.6	178.2	179.9	0	0	112.4	Y314 V583 S584 N588 Y590	Y314-E586 HydrophobicContact CE2-CG 4.36Å; V583-E586 WeakPolarHBondContact O-CG 3.39Å; S584-E586 VanDerWaalsContact C-N 3.3Å; E586-N588 VanDerWaalsContact C-N 3.35Å; E586-Y590 VanDerWaalsContact O-CB 3.28Å; E586-Y590 WeakPolarHBondContact O-CB 3.12Å; E586-Y590 PolarHBondContact O-N 3.36Å
587	N	46.8	Very low	57.4	Low	114 Å²	114	66.7 Å²	66.7	61%	0.61	38%	0.383	S	S	*	.	H	α-helix	trans	-71	-29.9	175.9	-79.7	-33.2	0	0	0	112.6	D585 M591	D585-N587 PolarHBondContact O-N 3.45Å; N587-M591 WeakPolarHBondContact O-CB 3.1Å; N587-M591 WeakPolarHBondContact O-CG 3.35Å; N587-M591 PolarHBondContact O-N 3.49Å
588	N	55.8	Low	58.5	Low	95 Å²	95	68.1 Å²	68.1	51%	0.508	38%	0.379	S	S	.	.	H	α-helix	trans	-76	-45.1	175.5	-88.8	-3.2	0	0	0	111	D585 E586 Y590 M591 V592	D585-N588 PolarHBondContact O-N 2.96Å; D585-N588 VanDerWaalsContact O-N 3.15Å; E586-N588 VanDerWaalsContact C-N 3.35Å; N588-Y590 VanDerWaalsContact C-N 3.35Å; N588-Y590 PolarHBondContact O-N 3.27Å; N588-M591 PolarHBondContact O-N 2.91Å; N588-V592 VanDerWaalsContact O-CG2 3.24Å; N588-V592 WeakPolarHBondContact O-CG2 3.21Å; N588-V592 PolarHBondContact O-N 3.45Å
589	A	57.5	Low	59.6	Low	37 Å²	37	65.5 Å²	65.5	31%	0.306	37%	0.367	S	S	.	.	H	α-helix	trans	-60.5	-44.3	176.9	0	0	0	0	0	111.4	D585 M591 V592 Y593	D585-A589 WeakPolarHBondContact O-CB 3.26Å; D585-A589 PolarHBondContact O-N 3.32Å; A589-M591 VanDerWaalsContact C-N 3.34Å; A589-M591 PolarHBondContact O-N 3.25Å; A589-V592 PolarHBondContact O-N 2.78Å; A589-Y593 HydrophobicContact CB-CE2 4.29Å; A589-Y593 WeakPolarHBondContact O-CD2 3.26Å; A589-Y593 PolarHBondContact O-N 3.23Å
590	Y	66.3	Low	60.9	Low	82 Å²	82	62.2 Å²	62.2	32%	0.322	35%	0.35	S	S	.	.	H	α-helix	trans	-57	-45.7	173.6	179.8	-85.5	0	0	0	112.4	W308 P312 E586 N588 Y593 F594	W308-Y590 AromaticContact CD1-CD2 3.89Å; W308-Y590 AromaticContact CD1-CE2 3.68Å; W308-Y590 AromaticContact CE2-CE2 3.75Å; W308-Y590 AromaticContact CE2-CZ 3.76Å; W308-Y590 HydrophobicContact CZ2-CE2 4.19Å; W308-Y590 AromaticContact CZ2-CZ 3.95Å; W308-Y590 WeakPolarHBondContact CZ2-OH 3.33Å; W308-Y590 AromaticContact NE1-CD2 3.59Å; W308-Y590 AromaticContact NE1-CE1 3.71Å; W308-Y590 AromaticContact NE1-CE2 2.92Å; W308-Y590 AromaticContact NE1-CZ 3.01Å; W308-Y590 PolarHBondContact NE1-OH 3.42Å; P312-Y590 HydrophobicContact CB-CD2 4.36Å; P312-Y590 HydrophobicContact CG-CD2 4.26Å; E586-Y590 VanDerWaalsContact O-CB 3.28Å; E586-Y590 WeakPolarHBondContact O-CB 3.12Å; E586-Y590 PolarHBondContact O-N 3.36Å; N588-Y590 VanDerWaalsContact C-N 3.35Å; N588-Y590 PolarHBondContact O-N 3.27Å; Y590-Y593 PolarHBondContact O-N 3.22Å; Y590-F594 WeakPolarHBondContact O-CB 3.33Å; Y590-F594 PolarHBondContact O-N 3.31Å
591	M	65.8	Low	62.8	Low	90 Å²	90	63.2 Å²	63.2	44%	0.443	36%	0.355	S	S	.	.	H	α-helix	trans	-67.1	-35.4	177.3	-74.6	-64.7	-163	0	0	112.6	N587 N588 A589 F594 V595	N587-M591 WeakPolarHBondContact O-CB 3.1Å; N587-M591 WeakPolarHBondContact O-CG 3.35Å; N587-M591 PolarHBondContact O-N 3.49Å; N588-M591 PolarHBondContact O-N 2.91Å; A589-M591 VanDerWaalsContact C-N 3.34Å; A589-M591 PolarHBondContact O-N 3.25Å; M591-F594 PolarHBondContact O-N 2.97Å; M591-V595 WeakPolarHBondContact O-CB 3.42Å; M591-V595 VanDerWaalsContact O-CG2 3.26Å; M591-V595 WeakPolarHBondContact O-CG2 3.19Å; M591-V595 PolarHBondContact O-N 3.24Å
592	V	69.1	Low	64.6	Low	83 Å²	83	61.5 Å²	61.5	50%	0.503	35%	0.345	S	S	.	.	H	α-helix	trans	-61.8	-49.7	175.6	169.3	0	0	0	0	110.5	N588 A589 F594 V595 S596	N588-V592 VanDerWaalsContact O-CG2 3.24Å; N588-V592 WeakPolarHBondContact O-CG2 3.21Å; N588-V592 PolarHBondContact O-N 3.45Å; A589-V592 PolarHBondContact O-N 2.78Å; V592-F594 VanDerWaalsContact C-N 3.3Å; V592-F594 PolarHBondContact O-N 2.81Å; V592-V595 PolarHBondContact O-N 3.04Å; V592-S596 PolarHBondContact O-N 2.95Å; V592-S596 PolarHBondContact O-OG 3.24Å
593	Y	74.3	Confident	66.4	Low	9 Å²	9	60.3 Å²	60.3	4%	0.035	34%	0.339	C	S	.	.	H	α-helix	trans	-61.5	-38.8	176.6	-64	-57.2	0	0	0	112.2	F184 A307 I311 P312 A589 Y590 S596 F597	F184-Y593 HydrophobicContact CB-CE1 4.21Å; F184-Y593 AromaticContact CD1-CD1 3.54Å; F184-Y593 HydrophobicContact CD1-CD1 3.54Å; F184-Y593 AromaticContact CD1-CE1 3.82Å; F184-Y593 HydrophobicContact CD1-CE1 3.82Å; F184-Y593 HydrophobicContact CE1-CD1 4.13Å; F184-Y593 HydrophobicContact CG-CD1 4.44Å; F184-Y593 HydrophobicContact CG-CE1 4.48Å; F184-Y593 PolarHBondContact O-OH 3.4Å; A307-Y593 HydrophobicContact CB-CD1 4.24Å; I311-Y593 HydrophobicContact CB-CE2 4.26Å; I311-Y593 HydrophobicContact CD1-CE1 4.12Å; I311-Y593 HydrophobicContact CG2-CE2 4Å; P312-Y593 HydrophobicContact CG-CD2 4.32Å; A589-Y593 HydrophobicContact CB-CE2 4.29Å; A589-Y593 WeakPolarHBondContact O-CD2 3.26Å; A589-Y593 PolarHBondContact O-N 3.23Å; Y590-Y593 PolarHBondContact O-N 3.22Å; Y593-S596 PolarHBondContact O-N 3.07Å; Y593-F597 PolarHBondContact O-N 2.82Å
594	F	74	Confident	68.6	Low	79 Å²	79	58.5 Å²	58.5	35%	0.346	33%	0.327	S	S	.	.	H	α-helix	trans	-67.3	-40.5	177.1	-177.4	-106.4	0	0	0	113.1	Y590 M591 V592 F597 L598	Y590-F594 WeakPolarHBondContact O-CB 3.33Å; Y590-F594 PolarHBondContact O-N 3.31Å; M591-F594 PolarHBondContact O-N 2.97Å; V592-F594 VanDerWaalsContact C-N 3.3Å; V592-F594 PolarHBondContact O-N 2.81Å; F594-F597 WeakPolarHBondContact O-CB 3.34Å; F594-F597 PolarHBondContact O-N 3.47Å; F594-L598 HydrophobicContact CD1-CD1 4.09Å; F594-L598 HydrophobicContact CE1-CD1 3.58Å; F594-L598 HydrophobicContact CE1-CG 4.15Å; F594-L598 HydrophobicContact CZ-CD1 4.04Å; F594-L598 HydrophobicContact CZ-CD2 4.33Å; F594-L598 HydrophobicContact CZ-CG 4.22Å; F594-L598 WeakPolarHBondContact O-CG 3.42Å; F594-L598 PolarHBondContact O-N 3.34Å
595	V	71.8	Confident	71	Confident	74 Å²	74	59.3 Å²	59.3	45%	0.448	33%	0.331	S	S	.	.	H	α-helix	trans	-65.4	-41.3	175.1	170	0	0	0	0	110.6	M591 V592 F597 L598 G599	M591-V595 WeakPolarHBondContact O-CB 3.42Å; M591-V595 VanDerWaalsContact O-CG2 3.26Å; M591-V595 WeakPolarHBondContact O-CG2 3.19Å; M591-V595 PolarHBondContact O-N 3.24Å; V592-V595 PolarHBondContact O-N 3.04Å; V595-F597 VanDerWaalsContact C-N 3.34Å; V595-F597 PolarHBondContact O-N 3.09Å; V595-L598 PolarHBondContact O-N 3.37Å; V595-G599 PolarHBondContact O-N 3.32Å
596	S	73.3	Confident	72.8	Confident	48 Å²	48	57.2 Å²	57.2	34%	0.336	32%	0.321	S	S	.	.	H	α-helix	trans	-61.4	-41	173.2	-62	0	0	0	0	112.3	V592 Y593 G599 T600	V592-S596 PolarHBondContact O-N 2.95Å; V592-S596 PolarHBondContact O-OG 3.24Å; Y593-S596 PolarHBondContact O-N 3.07Å; S596-G599 PolarHBondContact O-N 2.89Å; S596-T600 PolarHBondContact O-N 3.38Å
597	F	79.5	Confident	74.9	Confident	54 Å²	54	53.6 Å²	53.6	24%	0.237	31%	0.305	C	S	.	.	H	α-helix	trans	-57.6	-49.2	172.5	171.1	-95.5	0	0	0	111.4	I301 S304 Y593 F594 V595 G599 T600 L601	I301-F597 HydrophobicContact CG2-CE2 3.82Å; S304-F597 WeakPolarHBondContact OG-CD2 3.4Å; Y593-F597 PolarHBondContact O-N 2.82Å; F594-F597 WeakPolarHBondContact O-CB 3.34Å; F594-F597 PolarHBondContact O-N 3.47Å; V595-F597 VanDerWaalsContact C-N 3.34Å; V595-F597 PolarHBondContact O-N 3.09Å; F597-G599 VanDerWaalsContact C-N 3.29Å; F597-G599 PolarHBondContact O-N 3.27Å; F597-T600 PolarHBondContact O-N 3.44Å; F597-T600 PolarHBondContact O-OG1 2.86Å; F597-L601 WeakPolarHBondContact O-CB 3.48Å; F597-L601 PolarHBondContact O-N 3.23Å
598	L	76.1	Confident	77	Confident	80 Å²	80	51.3 Å²	51.3	42%	0.419	29%	0.292	S	S	.	.	H	α-helix	trans	-60.6	-37.9	176.1	-69.6	177.8	0	0	0	112.6	F594 V595 L601 A602	F594-L598 HydrophobicContact CD1-CD1 4.09Å; F594-L598 HydrophobicContact CE1-CD1 3.58Å; F594-L598 HydrophobicContact CE1-CG 4.15Å; F594-L598 HydrophobicContact CZ-CD1 4.04Å; F594-L598 HydrophobicContact CZ-CD2 4.33Å; F594-L598 HydrophobicContact CZ-CG 4.22Å; F594-L598 WeakPolarHBondContact O-CG 3.42Å; F594-L598 PolarHBondContact O-N 3.34Å; V595-L598 PolarHBondContact O-N 3.37Å; L598-L601 WeakPolarHBondContact O-CB 3.16Å; L598-L601 PolarHBondContact O-N 3.07Å; L598-A602 PolarHBondContact O-N 3.47Å
599	G	75.8	Confident	78.6	Confident	31 Å²	31	50.5 Å²	50.5	32%	0.32	29%	0.29	S	S	.	.	H	α-helix	trans	-61.3	-46.5	174.8	0	0	0	0	0	112.4	V595 S596 F597 L601 A602	V595-G599 PolarHBondContact O-N 3.32Å; S596-G599 PolarHBondContact O-N 2.89Å; F597-G599 VanDerWaalsContact C-N 3.29Å; F597-G599 PolarHBondContact O-N 3.27Å; G599-L601 VanDerWaalsContact C-N 3.32Å; G599-L601 PolarHBondContact O-N 2.79Å; G599-A602 WeakPolarHBondContact O-CB 3.37Å; G599-A602 PolarHBondContact O-N 2.94Å
600	T	80.7	Confident	80.1	Confident	12 Å²	12	48.8 Å²	48.8	7%	0.074	28%	0.276	C	S	.	.	H	α-helix	trans	-65.3	-35.6	175.6	60.4	0	0	0	0	112.4	F180 M297 S596 F597 A602 V603	F180-T600 HydrophobicContact CD1-CG2 4.49Å; F180-T600 HydrophobicContact CE1-CG2 4.05Å; F180-T600 HydrophobicContact CZ-CG2 4.39Å; M297-T600 WeakPolarHBondContact CE-O 3.27Å; S596-T600 PolarHBondContact O-N 3.38Å; F597-T600 PolarHBondContact O-N 3.44Å; F597-T600 PolarHBondContact O-OG1 2.86Å; T600-A602 VanDerWaalsContact C-N 3.29Å; T600-A602 PolarHBondContact O-N 2.9Å; T600-V603 PolarHBondContact O-N 2.94Å
601	L	83.6	Confident	81.1	Confident	73 Å²	73	44.9 Å²	44.9	38%	0.382	26%	0.261	S	S	.	.	H	α-helix	trans	-65.5	-33.5	176.6	-166.1	74.9	0	0	0	112.1	I301 F597 L598 G599 V603 L604	I301-L601 HydrophobicContact CD1-CD1 4.22Å; F597-L601 WeakPolarHBondContact O-CB 3.48Å; F597-L601 PolarHBondContact O-N 3.23Å; L598-L601 WeakPolarHBondContact O-CB 3.16Å; L598-L601 PolarHBondContact O-N 3.07Å; G599-L601 VanDerWaalsContact C-N 3.32Å; G599-L601 PolarHBondContact O-N 2.79Å; L601-V603 PolarHBondContact O-N 2.9Å; L601-L604 HydrophobicContact CD1-CD1 3.87Å; L601-L604 PolarHBondContact O-N 3.48Å
602	A	82.6	Confident	82.3	Confident	33 Å²	33	45.1 Å²	45.1	27%	0.273	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-17.9	179.7	0	0	0	0	0	113.9	L598 G599 T600 P605 C651	L598-A602 PolarHBondContact O-N 3.47Å; G599-A602 WeakPolarHBondContact O-CB 3.37Å; G599-A602 PolarHBondContact O-N 2.94Å; T600-A602 VanDerWaalsContact C-N 3.29Å; T600-A602 PolarHBondContact O-N 2.9Å; A602-P605 WeakPolarHBondContact O-CD 3.28Å; A602-C651 HydrophobicContact CB-CB 3.87Å
603	V	85.4	Confident	83.2	Confident	12 Å²	12	44.1 Å²	44.1	7%	0.073	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-25	179.1	-177.6	0	0	0	0	112.1	M297 T600 L601 G606 N607 I658	M297-V603 HydrophobicContact CE-CB 3.62Å; M297-V603 HydrophobicContact CE-CG1 3.84Å; M297-V603 HydrophobicContact CE-CG2 4.16Å; M297-V603 HydrophobicContact CG-CG1 4.28Å; M297-V603 HydrophobicContact SD-CB 4.18Å; M297-V603 HydrophobicContact SD-CG1 3.69Å; T600-V603 PolarHBondContact O-N 2.94Å; L601-V603 PolarHBondContact O-N 2.9Å; V603-G606 PolarHBondContact O-N 3.08Å; V603-N607 PolarHBondContact O-N 2.87Å; V603-I658 HydrophobicContact CG1-CB 3.63Å; V603-I658 HydrophobicContact CG1-CD1 4.03Å; V603-I658 HydrophobicContact CG1-CG1 3.64Å; V603-I658 HydrophobicContact CG1-CG2 3.75Å
604	L	87.4	Confident	83.8	Confident	35 Å²	35	43.7 Å²	43.7	18%	0.183	25%	0.253	C	S	.	.	H	α-helix	trans	-55.4	-43.6	-179	-76.5	-178.3	0	0	0	114.9	M297 I301 L601 G606 N607 I608	M297-L604 HydrophobicContact CB-CD2 3.88Å; I301-L604 HydrophobicContact CD1-CD1 3.47Å; I301-L604 VanDerWaalsContact CD1-CD1 3.47Å; I301-L604 HydrophobicContact CD1-CD2 4.04Å; I301-L604 HydrophobicContact CD1-CG 3.78Å; L601-L604 HydrophobicContact CD1-CD1 3.87Å; L601-L604 PolarHBondContact O-N 3.48Å; L604-G606 PolarHBondContact O-N 3.23Å; L604-N607 PolarHBondContact O-N 3.4Å; L604-N607 VanDerWaalsContact O-N 3.12Å; L604-I608 WeakPolarHBondContact O-CG1 3.24Å; L604-I608 PolarHBondContact O-N 3.01Å; L604-I608 VanDerWaalsContact O-N 3.11Å
605	P	89.3	Confident	84.3	Confident	74 Å²	74	41.5 Å²	41.5	48%	0.481	25%	0.245	S	C	.	.	H	α-helix	trans	-56.4	-36.1	176.7	-25.4	35.3	0	0	0	112.4	A602 I608 V609	A602-P605 WeakPolarHBondContact O-CD 3.28Å; P605-I608 PolarHBondContact O-N 2.98Å; P605-V609 WeakPolarHBondContact O-CB 3.35Å; P605-V609 WeakPolarHBondContact O-CG2 3.4Å; P605-V609 PolarHBondContact O-N 3.43Å
606	G	87.7	Confident	84.9	Confident	9 Å²	9	45.5 Å²	45.5	9%	0.093	26%	0.256	C	S	.	.	H	α-helix	trans	-60.3	-44	176.2	0	0	0	0	0	112.9	V603 L604 V609 S610 G655	V603-G606 PolarHBondContact O-N 3.08Å; L604-G606 PolarHBondContact O-N 3.23Å; G606-V609 PolarHBondContact O-N 3.34Å; G606-S610 PolarHBondContact O-N 3.38Å; G606-G655 WeakPolarHBondContact CA-O 3.28Å
607	N	89.3	Confident	85.5	Confident	1 Å²	1	46.6 Å²	46.6	1%	0.005	26%	0.258	C	S	.	.	H	α-helix	trans	-66.4	-41.6	176.8	-76.8	-10.3	0	0	0	113.2	M294 M297 V603 L604 V609 S610 A611 I658 N662	M294-N607 HydrophobicContact CG-CB 3.69Å; M297-N607 WeakPolarHBondContact CG-ND2 3.48Å; V603-N607 PolarHBondContact O-N 2.87Å; L604-N607 PolarHBondContact O-N 3.4Å; L604-N607 VanDerWaalsContact O-N 3.12Å; N607-V609 VanDerWaalsContact C-N 3.32Å; N607-S610 PolarHBondContact O-N 3.25Å; N607-S610 PolarHBondContact O-OG 3.41Å; N607-A611 WeakPolarHBondContact O-CB 3.24Å; N607-A611 PolarHBondContact O-N 3.12Å; N607-I658 WeakPolarHBondContact OD1-CG1 3.42Å; N607-I658 WeakPolarHBondContact OD1-CG2 3.38Å; N607-N662 PolarHBondContact OD1-ND2 3.13Å
608	I	91.4	Very high	85.8	Confident	67 Å²	67	44.1 Å²	44.1	34%	0.344	25%	0.247	S	C	.	.	H	α-helix	trans	-64.8	-43.4	178.7	-63.8	168.2	0	0	0	109.5	M294 L604 P605 A611 L612	M294-I608 HydrophobicContact CE-CG1 4.13Å; M294-I608 HydrophobicContact SD-CG1 4.04Å; L604-I608 WeakPolarHBondContact O-CG1 3.24Å; L604-I608 PolarHBondContact O-N 3.01Å; L604-I608 VanDerWaalsContact O-N 3.11Å; P605-I608 PolarHBondContact O-N 2.98Å; I608-A611 PolarHBondContact O-N 3.32Å; I608-L612 HydrophobicContact CG2-CD1 3.9Å; I608-L612 HydrophobicContact CG2-CG 4.46Å; I608-L612 VanDerWaalsContact O-CG 3.29Å; I608-L612 WeakPolarHBondContact O-CG 3.33Å; I608-L612 PolarHBondContact O-N 3.5Å; I608-L612 VanDerWaalsContact O-N 3.08Å
609	V	90.5	Very high	86.3	Confident	77 Å²	77	40.5 Å²	40.5	47%	0.467	23%	0.228	S	C	.	.	H	α-helix	trans	-63.2	-42.1	176.8	170.7	0	0	0	0	111	P605 G606 N607 L613	P605-V609 WeakPolarHBondContact O-CB 3.35Å; P605-V609 WeakPolarHBondContact O-CG2 3.4Å; P605-V609 PolarHBondContact O-N 3.43Å; G606-V609 PolarHBondContact O-N 3.34Å; N607-V609 VanDerWaalsContact C-N 3.32Å; V609-L613 HydrophobicContact CG1-CD1 3.61Å; V609-L613 HydrophobicContact CG1-CG 4.44Å; V609-L613 VanDerWaalsContact O-CB 3.31Å; V609-L613 WeakPolarHBondContact O-CB 3.43Å; V609-L613 WeakPolarHBondContact O-CG 3.24Å; V609-L613 PolarHBondContact O-N 3.16Å; V609-L613 VanDerWaalsContact O-N 3.12Å
610	S	88.6	Confident	87	Confident	1 Å²	1	39.9 Å²	39.9	1%	0.007	22%	0.217	C	C	.	.	H	α-helix	trans	-63.3	-46	177.1	78.6	0	0	0	0	111.2	S290 G606 N607 L612 L613 M614 N662	S290-S610 PolarHBondContact OG-OG 3.3Å; G606-S610 PolarHBondContact O-N 3.38Å; N607-S610 PolarHBondContact O-N 3.25Å; N607-S610 PolarHBondContact O-OG 3.41Å; S610-L612 PolarHBondContact O-N 2.9Å; S610-L613 PolarHBondContact O-N 3.43Å; S610-M614 VanDerWaalsContact O-CB 3.25Å; S610-M614 WeakPolarHBondContact O-CB 3.26Å; S610-M614 PolarHBondContact O-N 2.91Å; S610-N662 PolarHBondContact OG-ND2 3.27Å
611	A	87.9	Confident	87.4	Confident	1 Å²	1	47.8 Å²	47.8	1%	0.008	25%	0.246	C	C	.	.	H	α-helix	trans	-61.5	-42.7	-178.6	0	0	0	0	0	112.4	S290 W291 N607 I608	S290-A611 VanDerWaalsContact OG-CA 3.27Å; S290-A611 WeakPolarHBondContact OG-CA 3.45Å; S290-A611 PolarHBondContact OG-N 2.87Å; W291-A611 HydrophobicContact CD2-CB 3.81Å; W291-A611 HydrophobicContact CE3-CB 4.37Å; W291-A611 HydrophobicContact CG-CB 3.99Å; W291-A611 HydrophobicContact CZ2-CB 4.22Å; N607-A611 WeakPolarHBondContact O-CB 3.24Å; N607-A611 PolarHBondContact O-N 3.12Å; I608-A611 PolarHBondContact O-N 3.32Å
612	L	90.1	Very high	87.8	Confident	95 Å²	95	45 Å²	45	50%	0.497	23%	0.231	S	C	.	.	H	α-helix	trans	-73.8	-25.7	-179.7	-66.5	174.5	0	0	0	114.1	W291 I608 S610	W291-L612 HydrophobicContact CZ2-CD2 4.04Å; W291-L612 HydrophobicContact CZ2-CG 4.47Å; I608-L612 HydrophobicContact CG2-CD1 3.9Å; I608-L612 HydrophobicContact CG2-CG 4.46Å; I608-L612 VanDerWaalsContact O-CG 3.29Å; I608-L612 WeakPolarHBondContact O-CG 3.33Å; I608-L612 PolarHBondContact O-N 3.5Å; I608-L612 VanDerWaalsContact O-N 3.08Å; S610-L612 PolarHBondContact O-N 2.9Å
613	L	88.9	Confident	88.2	Confident	62 Å²	62	43.5 Å²	43.5	33%	0.325	22%	0.218	S	C	.	.	H	α-helix	trans	-102.1	-15.8	-175.8	-67.3	178.2	0	0	0	113.8	V609 S610 D615 K616 I617	V609-L613 HydrophobicContact CG1-CD1 3.61Å; V609-L613 HydrophobicContact CG1-CG 4.44Å; V609-L613 VanDerWaalsContact O-CB 3.31Å; V609-L613 WeakPolarHBondContact O-CB 3.43Å; V609-L613 WeakPolarHBondContact O-CG 3.24Å; V609-L613 PolarHBondContact O-N 3.16Å; V609-L613 VanDerWaalsContact O-N 3.12Å; S610-L613 PolarHBondContact O-N 3.43Å; L613-D615 VanDerWaalsContact C-N 3.29Å; L613-D615 PolarHBondContact O-N 2.79Å; L613-K616 PolarHBondContact O-N 3.33Å; L613-I617 HydrophobicContact CB-CD1 3.84Å; L613-I617 HydrophobicContact CB-CG1 4.23Å; L613-I617 HydrophobicContact CD1-CD1 3.94Å; L613-I617 HydrophobicContact CD2-CD1 4.24Å; L613-I617 HydrophobicContact CG-CD1 4.23Å; L613-I617 PolarHBondContact O-N 3.36Å
614	M	85.8	Confident	88.5	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-53.6	-45.2	-176.3	-172.1	57.1	143.5	0	0	112.5	S610 G618 R619 M622 V666	S610-M614 VanDerWaalsContact O-CB 3.25Å; S610-M614 WeakPolarHBondContact O-CB 3.26Å; S610-M614 PolarHBondContact O-N 2.91Å; M614-G618 PolarHBondContact O-N 3.03Å; M614-R619 HydrophobicContact CE-CB 4.09Å; M614-R619 HydrophobicContact CE-CG 3.49Å; M614-R619 VanDerWaalsContact CE-CG 3.49Å; M614-R619 HydrophobicContact SD-CB 4.25Å; M614-R619 HydrophobicContact SD-CG 3.74Å; M614-M622 HydrophobicContact CB-CE 4.31Å; M614-M622 HydrophobicContact CB-SD 4.39Å; M614-M622 HydrophobicContact CE-CE 3.87Å; M614-M622 HydrophobicContact CG-CE 4.31Å; M614-M622 HydrophobicContact SD-CE 3.17Å; M614-M622 WeakPolarHBondContact SD-CE 3.32Å; M614-M622 HydrophobicContact SD-SD 3.98Å; M614-V666 HydrophobicContact CE-CB 3.44Å; M614-V666 VanDerWaalsContact CE-CB 3.44Å; M614-V666 HydrophobicContact CE-CG1 3.72Å; M614-V666 HydrophobicContact CE-CG2 3.64Å
615	D	83.8	Confident	88.7	Confident	32 Å²	32	43 Å²	43	17%	0.171	22%	0.224	C	C	.	.	H	α-helix	trans	-80.9	-18.8	-178.4	-73.4	-1.3	0	0	0	113	E287 L613 R619 R732	E287-D615 WeakPolarHBondContact CB-OD2 3.28Å; E287-D615 PolarHBondContact N-OD1 3.26Å; E287-D615 VanDerWaalsContact N-OD1 3.12Å; L613-D615 VanDerWaalsContact C-N 3.29Å; L613-D615 PolarHBondContact O-N 2.79Å; D615-R619 IonicContact OD1-CZ 3.55Å; D615-R619 IonicContact OD1-NH2 3.81Å; D615-R619 PolarHBondContact OD1-NH2 3.39Å; D615-R732 PolarHBondContact O-NE 2.66Å; D615-R732 PolarHBondContact O-NH1 3.37Å; D615-R732 PolarHBondContact O-NH2 3.12Å
616	K	85.3	Confident	88.9	Confident	159 Å²	159	40.1 Å²	40.1	69%	0.691	21%	0.205	S	C	*	.	H	α-helix	trans	-86.7	-48.5	177.9	-68.1	-175.8	-177.9	178.5	0	112.4	L613 R732	L613-K616 PolarHBondContact O-N 3.33Å; K616-R732 PolarHBondContact O-NH1 2.8Å
617	I	85.7	Confident	89.1	Confident	71 Å²	71	40 Å²	40	36%	0.364	20%	0.203	S	C	.	.	H	α-helix	trans	-85.4	-30.7	-172	-61.8	-177.1	0	0	0	111.5	L613 R621	L613-I617 HydrophobicContact CB-CD1 3.84Å; L613-I617 HydrophobicContact CB-CG1 4.23Å; L613-I617 HydrophobicContact CD1-CD1 3.94Å; L613-I617 HydrophobicContact CD2-CD1 4.24Å; L613-I617 HydrophobicContact CG-CD1 4.23Å; L613-I617 PolarHBondContact O-N 3.36Å; I617-R621 HydrophobicContact CG2-CB 3.79Å
618	G	85	Confident	89.3	Confident	1 Å²	1	43.6 Å²	43.6	1%	0.01	23%	0.225	C	C	.	.			trans	92.9	156.6	-170.4	0	0	0	0	0	112.2	M614 M622	M614-G618 PolarHBondContact O-N 3.03Å; G618-M622 VanDerWaalsContact O-CB 3.27Å; G618-M622 WeakPolarHBondContact O-CB 3.46Å; G618-M622 PolarHBondContact O-N 3.08Å; G618-M622 VanDerWaalsContact O-N 3.1Å
619	R	88.3	Confident	89.3	Confident	5 Å²	5	44.8 Å²	44.8	2%	0.019	23%	0.231	C	C	.	.	H	α-helix	trans	-72.6	-47.1	-169.2	-65.6	84.7	-148.9	-147	8.5	110.2	M614 D615 R621 M622 L623 S663 V666 L667 E670 E730	M614-R619 HydrophobicContact CE-CB 4.09Å; M614-R619 HydrophobicContact CE-CG 3.49Å; M614-R619 VanDerWaalsContact CE-CG 3.49Å; M614-R619 HydrophobicContact SD-CB 4.25Å; M614-R619 HydrophobicContact SD-CG 3.74Å; D615-R619 IonicContact OD1-CZ 3.55Å; D615-R619 IonicContact OD1-NH2 3.81Å; D615-R619 PolarHBondContact OD1-NH2 3.39Å; R619-R621 PolarHBondContact O-N 3.36Å; R619-M622 PolarHBondContact O-N 2.98Å; R619-L623 WeakPolarHBondContact O-CB 3.19Å; R619-L623 PolarHBondContact O-N 3.45Å; R619-S663 PolarHBondContact O-OG 3.19Å; R619-V666 HydrophobicContact CG-CG1 4.18Å; R619-L667 HydrophobicContact CB-CD1 4.48Å; R619-E670 IonicContact NH1-OE1 3.68Å; R619-E670 IonicContact NH1-OE2 3.92Å; R619-E730 PolarHBondContact N-OE1 2.99Å
620	L	89.3	Confident	89.4	Confident	18 Å²	18	41.1 Å²	41.1	9%	0.094	21%	0.209	C	C	.	.	H	α-helix	trans	-63	-47.8	-178.8	-166.8	72.4	0	0	0	112.3	M622 L623 A624 L667 A725 L728 E730	L620-M622 VanDerWaalsContact C-N 3.35Å; L620-L623 PolarHBondContact O-N 2.93Å; L620-A624 PolarHBondContact O-N 3.46Å; L620-L667 HydrophobicContact CD1-CD2 4.37Å; L620-A725 WeakPolarHBondContact CD1-O 3.47Å; L620-L728 HydrophobicContact CD1-CB 3.73Å; L620-L728 WeakPolarHBondContact CD2-O 3.47Å; L620-E730 WeakPolarHBondContact CB-OE2 3.11Å; L620-E730 PolarHBondContact N-OE1 3.38Å; L620-E730 PolarHBondContact N-OE2 3.23Å
621	R	89.9	Confident	89.6	Confident	178 Å²	178	42.2 Å²	42.2	67%	0.672	22%	0.216	S	C	*	.	H	α-helix	trans	-67.6	-36.8	-178.4	-67.5	-178.1	-176.4	177.7	1.5	111.7	I617 R619 G625	I617-R621 HydrophobicContact CG2-CB 3.79Å; R619-R621 PolarHBondContact O-N 3.36Å; R621-G625 WeakPolarHBondContact O-CA 3.37Å; R621-G625 PolarHBondContact O-N 2.9Å
622	M	90.9	Very high	89.8	Confident	15 Å²	15	45.7 Å²	45.7	7%	0.074	24%	0.237	C	C	.	.	H	α-helix	trans	-65.1	-45.7	173.9	-169.5	172.2	82.2	0	0	111	M614 G618 R619 L620 S626	M614-M622 HydrophobicContact CB-CE 4.31Å; M614-M622 HydrophobicContact CB-SD 4.39Å; M614-M622 HydrophobicContact CE-CE 3.87Å; M614-M622 HydrophobicContact CG-CE 4.31Å; M614-M622 HydrophobicContact SD-CE 3.17Å; M614-M622 WeakPolarHBondContact SD-CE 3.32Å; M614-M622 HydrophobicContact SD-SD 3.98Å; G618-M622 VanDerWaalsContact O-CB 3.27Å; G618-M622 WeakPolarHBondContact O-CB 3.46Å; G618-M622 PolarHBondContact O-N 3.08Å; G618-M622 VanDerWaalsContact O-N 3.1Å; R619-M622 PolarHBondContact O-N 2.98Å; L620-M622 VanDerWaalsContact C-N 3.35Å; M622-S626 WeakPolarHBondContact O-CB 3.11Å; M622-S626 PolarHBondContact O-N 2.93Å; M622-S626 PolarHBondContact O-OG 2.99Å
623	L	91.9	Very high	89.7	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-57.7	-57.1	177.6	176.5	60.9	0	0	0	111.6	V448 M452 R619 L620 S626 S627 S660 L664 L667 A725	V448-L623 HydrophobicContact CG1-CD2 4.29Å; M452-L623 HydrophobicContact SD-CD1 4.44Å; R619-L623 WeakPolarHBondContact O-CB 3.19Å; R619-L623 PolarHBondContact O-N 3.45Å; L620-L623 PolarHBondContact O-N 2.93Å; L623-S626 PolarHBondContact O-OG 3.46Å; L623-S627 VanDerWaalsContact O-CB 3.27Å; L623-S627 WeakPolarHBondContact O-CB 3.4Å; L623-S627 PolarHBondContact O-N 2.95Å; L623-S627 PolarHBondContact O-OG 2.63Å; L623-S660 VanDerWaalsContact CD1-O 3.24Å; L623-S660 WeakPolarHBondContact CD1-O 3.42Å; L623-S660 PolarHBondContact O-OG 2.95Å; L623-L664 HydrophobicContact CD1-CB 3.98Å; L623-L664 HydrophobicContact CD1-CD1 4.45Å; L623-L664 HydrophobicContact CD2-CD1 4.07Å; L623-L667 HydrophobicContact CD2-CD2 3.87Å; L623-A725 HydrophobicContact CD2-CB 3.99Å; L623-A725 HydrophobicContact CG-CB 4.26Å
624	A	91.9	Very high	89.7	Confident	5 Å²	5	38.5 Å²	38.5	4%	0.041	20%	0.2	C	C	.	.	H	α-helix	trans	-65.9	-44	-178.4	0	0	0	0	0	111.8	L620 S627 V628 S722 L726	L620-A624 PolarHBondContact O-N 3.46Å; A624-S627 PolarHBondContact O-N 2.86Å; A624-V628 WeakPolarHBondContact O-CG2 3.44Å; A624-V628 PolarHBondContact O-N 3.06Å; A624-S722 PolarHBondContact O-OG 3.36Å; A624-S722 VanDerWaalsContact O-OG 3.11Å; A624-L726 HydrophobicContact CB-CD2 3.53Å; A624-L726 HydrophobicContact CB-CG 3.88Å
625	G	92.1	Very high	89.8	Confident	33 Å²	33	43.2 Å²	43.2	34%	0.34	22%	0.221	S	C	.	.	H	α-helix	trans	-61.1	-49.1	-179.4	0	0	0	0	0	112.8	R621 S627 V628 I629	R621-G625 WeakPolarHBondContact O-CA 3.37Å; R621-G625 PolarHBondContact O-N 2.9Å; G625-S627 VanDerWaalsContact C-N 3.33Å; G625-S627 PolarHBondContact O-N 3.08Å; G625-V628 PolarHBondContact O-N 3.15Å; G625-I629 WeakPolarHBondContact O-CD1 3.46Å; G625-I629 VanDerWaalsContact O-CG1 3.24Å; G625-I629 WeakPolarHBondContact O-CG1 3.35Å; G625-I629 PolarHBondContact O-N 2.88Å; G625-I629 VanDerWaalsContact O-N 3.12Å
626	S	92.8	Very high	89.9	Confident	13 Å²	13	46.9 Å²	46.9	9%	0.091	24%	0.235	C	C	.	.	H	α-helix	trans	-69.3	-30.3	178	53.8	0	0	0	0	112.7	M622 L623 I629 S630 I656 S660	M622-S626 WeakPolarHBondContact O-CB 3.11Å; M622-S626 PolarHBondContact O-N 2.93Å; M622-S626 PolarHBondContact O-OG 2.99Å; L623-S626 PolarHBondContact O-OG 3.46Å; S626-I629 PolarHBondContact O-N 2.97Å; S626-S630 WeakPolarHBondContact O-CB 3.34Å; S626-S630 PolarHBondContact O-N 2.96Å; S626-S630 PolarHBondContact O-OG 3.07Å; S626-I656 WeakPolarHBondContact O-CG2 3.11Å; S626-S660 VanDerWaalsContact CB-OG 3.23Å; S626-S660 WeakPolarHBondContact CB-OG 3.45Å; S626-S660 VanDerWaalsContact OG-CA 3.29Å; S626-S660 WeakPolarHBondContact OG-CA 3.3Å; S626-S660 WeakPolarHBondContact OG-CB 3.45Å; S626-S660 PolarHBondContact OG-N 2.9Å; S626-S660 VanDerWaalsContact OG-N 3.14Å; S626-S660 PolarHBondContact OG-OG 2.88Å
627	S	91.6	Very high	89.7	Confident	7 Å²	7	39.6 Å²	39.6	5%	0.049	20%	0.204	C	C	.	.	H	α-helix	trans	-68.1	-42.4	175.1	-64.7	0	0	0	0	112	L623 A624 G625 S630 C631 S660	L623-S627 VanDerWaalsContact O-CB 3.27Å; L623-S627 WeakPolarHBondContact O-CB 3.4Å; L623-S627 PolarHBondContact O-N 2.95Å; L623-S627 PolarHBondContact O-OG 2.63Å; A624-S627 PolarHBondContact O-N 2.86Å; G625-S627 VanDerWaalsContact C-N 3.33Å; G625-S627 PolarHBondContact O-N 3.08Å; S627-S630 PolarHBondContact O-N 3.26Å; S627-C631 PolarHBondContact O-N 2.79Å; S627-S660 PolarHBondContact N-OG 3.36Å; S627-S660 PolarHBondContact OG-OG 2.83Å
628	V	93.2	Very high	89.4	Confident	75 Å²	75	38.4 Å²	38.4	46%	0.455	20%	0.202	S	C	.	.	H	α-helix	trans	-63.1	-45.2	174.6	173.1	0	0	0	0	110.9	A624 G625 S630 C631 V632 S722	A624-V628 WeakPolarHBondContact O-CG2 3.44Å; A624-V628 PolarHBondContact O-N 3.06Å; G625-V628 PolarHBondContact O-N 3.15Å; V628-S630 VanDerWaalsContact C-N 3.29Å; V628-S630 PolarHBondContact O-N 2.68Å; V628-C631 WeakPolarHBondContact O-CB 3.18Å; V628-C631 PolarHBondContact O-N 2.95Å; V628-C631 VanDerWaalsContact O-N 3.16Å; V628-V632 WeakPolarHBondContact O-CG2 3.41Å; V628-V632 PolarHBondContact O-N 2.8Å; V628-S722 VanDerWaalsContact CG2-OG 3.32Å; V628-S722 WeakPolarHBondContact CG2-OG 3.32Å
629	I	93.1	Very high	89.2	Confident	93 Å²	93	44.8 Å²	44.8	48%	0.477	23%	0.23	S	C	.	.	H	α-helix	trans	-63.9	-38.9	178.8	-60.8	163.4	0	0	0	110.4	G625 S626 C631 V632 S633 I656	G625-I629 WeakPolarHBondContact O-CD1 3.46Å; G625-I629 VanDerWaalsContact O-CG1 3.24Å; G625-I629 WeakPolarHBondContact O-CG1 3.35Å; G625-I629 PolarHBondContact O-N 2.88Å; G625-I629 VanDerWaalsContact O-N 3.12Å; S626-I629 PolarHBondContact O-N 2.97Å; I629-C631 VanDerWaalsContact C-N 3.35Å; I629-C631 PolarHBondContact O-N 3.15Å; I629-V632 PolarHBondContact O-N 3.02Å; I629-S633 PolarHBondContact O-N 2.91Å; I629-I656 HydrophobicContact CB-CG2 3.88Å; I629-I656 HydrophobicContact CG2-CD1 3.67Å; I629-I656 HydrophobicContact CG2-CG2 3.82Å
630	S	92.4	Very high	88.6	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-63.8	-37.7	173.9	-60.6	0	0	0	0	112.5	S626 S627 V628 S633 C634 I656 S657	S626-S630 WeakPolarHBondContact O-CB 3.34Å; S626-S630 PolarHBondContact O-N 2.96Å; S626-S630 PolarHBondContact O-OG 3.07Å; S627-S630 PolarHBondContact O-N 3.26Å; V628-S630 VanDerWaalsContact C-N 3.29Å; V628-S630 PolarHBondContact O-N 2.68Å; S630-S633 PolarHBondContact O-N 3.2Å; S630-S633 PolarHBondContact O-OG 3.45Å; S630-S633 VanDerWaalsContact O-OG 3.07Å; S630-C634 WeakPolarHBondContact O-CB 3.31Å; S630-C634 PolarHBondContact O-N 3.42Å; S630-I656 WeakPolarHBondContact OG-CG2 3.37Å; S630-S657 VanDerWaalsContact CB-OG 3.28Å; S630-S657 WeakPolarHBondContact CB-OG 3.21Å; S630-S657 WeakPolarHBondContact OG-CA 3.41Å; S630-S657 PolarHBondContact OG-N 3.19Å; S630-S657 PolarHBondContact OG-OG 3.06Å
631	C	91.6	Very high	87.8	Confident	24 Å²	24	50.6 Å²	50.6	16%	0.162	26%	0.262	C	S	.	.	H	α-helix	trans	-61.2	-44.2	173.3	176.6	0	0	0	0	111.4	S627 V628 I629 C634 F635 S715 L718	S627-C631 PolarHBondContact O-N 2.79Å; V628-C631 WeakPolarHBondContact O-CB 3.18Å; V628-C631 PolarHBondContact O-N 2.95Å; V628-C631 VanDerWaalsContact O-N 3.16Å; I629-C631 VanDerWaalsContact C-N 3.35Å; I629-C631 PolarHBondContact O-N 3.15Å; C631-C634 WeakPolarHBondContact O-CB 3.07Å; C631-C634 PolarHBondContact O-N 3.25Å; C631-F635 PolarHBondContact O-N 3.44Å; C631-S715 PolarHBondContact SG-O 2.78Å; C631-L718 HydrophobicContact CB-CB 4.17Å
632	V	91.5	Very high	87.4	Confident	74 Å²	74	44.6 Å²	44.6	45%	0.448	25%	0.248	S	C	.	.	H	α-helix	trans	-64.8	-45.7	177.3	174.5	0	0	0	0	110.9	V628 I629 C634 F635 F636	V628-V632 WeakPolarHBondContact O-CG2 3.41Å; V628-V632 PolarHBondContact O-N 2.8Å; I629-V632 PolarHBondContact O-N 3.02Å; V632-C634 VanDerWaalsContact C-N 3.29Å; V632-C634 PolarHBondContact O-N 3.18Å; V632-F635 WeakPolarHBondContact O-CB 3.4Å; V632-F635 PolarHBondContact O-N 3.48Å; V632-F636 HydrophobicContact CG1-CD2 3.89Å; V632-F636 HydrophobicContact CG1-CE2 3.57Å; V632-F636 WeakPolarHBondContact O-CD2 3.34Å; V632-F636 PolarHBondContact O-N 3.05Å; V632-F636 VanDerWaalsContact O-N 3.16Å
633	S	89.8	Confident	86.8	Confident	6 Å²	6	48 Å²	48	4%	0.042	26%	0.264	C	S	.	.	H	α-helix	trans	-63.4	-37.6	177.4	79.8	0	0	0	0	111.8	I629 S630 F636 L637 F653	I629-S633 PolarHBondContact O-N 2.91Å; S630-S633 PolarHBondContact O-N 3.2Å; S630-S633 PolarHBondContact O-OG 3.45Å; S630-S633 VanDerWaalsContact O-OG 3.07Å; S633-F636 PolarHBondContact O-N 3.2Å; S633-L637 PolarHBondContact O-N 3.38Å; S633-F653 WeakPolarHBondContact OG-CA 3.33Å
634	C	88.4	Confident	86.3	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-61.1	-43.5	174.1	-177.2	0	0	0	0	111.5	L459 S630 C631 V632 F636 L637 F653 I711	L459-C634 VanDerWaalsContact CD1-SG 3.52Å; S630-C634 WeakPolarHBondContact O-CB 3.31Å; S630-C634 PolarHBondContact O-N 3.42Å; C631-C634 WeakPolarHBondContact O-CB 3.07Å; C631-C634 PolarHBondContact O-N 3.25Å; V632-C634 VanDerWaalsContact C-N 3.29Å; V632-C634 PolarHBondContact O-N 3.18Å; C634-F636 VanDerWaalsContact C-N 3.31Å; C634-F636 PolarHBondContact O-N 3.05Å; C634-L637 VanDerWaalsContact O-CB 3.28Å; C634-L637 WeakPolarHBondContact O-CB 3.34Å; C634-L637 PolarHBondContact O-N 3.33Å; C634-L637 VanDerWaalsContact O-N 3.13Å; C634-F653 HydrophobicContact CB-CD2 4.21Å; C634-F653 HydrophobicContact CB-CE2 4.25Å; C634-I711 WeakPolarHBondContact O-CG2 3.44Å
635	F	86.6	Confident	85.8	Confident	98 Å²	98	53.6 Å²	53.6	43%	0.43	30%	0.304	S	S	.	.	H	α-helix	trans	-60.3	-40.8	176.2	-177.4	-101.2	0	0	0	112.2	C631 V632 L637 S638 F639	C631-F635 PolarHBondContact O-N 3.44Å; V632-F635 WeakPolarHBondContact O-CB 3.4Å; V632-F635 PolarHBondContact O-N 3.48Å; F635-L637 PolarHBondContact O-N 3.17Å; F635-S638 WeakPolarHBondContact O-CB 3.48Å; F635-S638 PolarHBondContact O-N 2.88Å; F635-S638 VanDerWaalsContact O-N 3.12Å; F635-F639 HydrophobicContact CD1-CE2 4.34Å; F635-F639 AromaticContact CE1-CE2 3.82Å; F635-F639 HydrophobicContact CE1-CE2 3.82Å; F635-F639 HydrophobicContact CE1-CZ 4.41Å; F635-F639 HydrophobicContact CZ-CE2 4.33Å
636	F	86.1	Confident	85.3	Confident	110 Å²	110	52.2 Å²	52.2	48%	0.482	29%	0.289	S	S	.	.	H	α-helix	trans	-65.2	-22.1	177	-78	-67.6	0	0	0	114.1	V632 S633 C634 S638 F639 L649	V632-F636 HydrophobicContact CG1-CD2 3.89Å; V632-F636 HydrophobicContact CG1-CE2 3.57Å; V632-F636 WeakPolarHBondContact O-CD2 3.34Å; V632-F636 PolarHBondContact O-N 3.05Å; V632-F636 VanDerWaalsContact O-N 3.16Å; S633-F636 PolarHBondContact O-N 3.2Å; C634-F636 VanDerWaalsContact C-N 3.31Å; C634-F636 PolarHBondContact O-N 3.05Å; F636-S638 PolarHBondContact O-N 2.84Å; F636-F639 HydrophobicContact CD1-CD2 4.34Å; F636-F639 PolarHBondContact O-N 2.99Å; F636-F639 VanDerWaalsContact O-N 3.11Å; F636-L649 HydrophobicContact CB-CD2 4.35Å
637	L	80.9	Confident	84.8	Confident	5 Å²	5	54.3 Å²	54.3	3%	0.026	30%	0.299	C	S	.	.	H	α-helix	trans	-60.5	-25.2	173.3	-72.2	156.5	0	0	0	112.5	F463 S633 C634 F635 F639 G640 L649 F653 I711	F463-L637 HydrophobicContact CE1-CB 4.31Å; F463-L637 HydrophobicContact CE1-CD1 4.27Å; F463-L637 HydrophobicContact CE1-CD2 3.72Å; F463-L637 HydrophobicContact CE1-CG 4.32Å; F463-L637 HydrophobicContact CE2-CD1 3.7Å; F463-L637 HydrophobicContact CE2-CD2 4.42Å; F463-L637 HydrophobicContact CZ-CB 3.91Å; F463-L637 HydrophobicContact CZ-CD1 3.28Å; F463-L637 HydrophobicContact CZ-CD2 3.57Å; F463-L637 HydrophobicContact CZ-CG 3.76Å; S633-L637 PolarHBondContact O-N 3.38Å; C634-L637 VanDerWaalsContact O-CB 3.28Å; C634-L637 WeakPolarHBondContact O-CB 3.34Å; C634-L637 PolarHBondContact O-N 3.33Å; C634-L637 VanDerWaalsContact O-N 3.13Å; F635-L637 PolarHBondContact O-N 3.17Å; L637-F639 PolarHBondContact O-N 2.92Å; L637-G640 PolarHBondContact O-N 2.99Å; L637-L649 HydrophobicContact CD2-CB 3.21Å; L637-L649 HydrophobicContact CD2-CD1 4.18Å; L637-L649 HydrophobicContact CD2-CG 4.32Å; L637-L649 HydrophobicContact CG-CB 3.93Å; L637-F653 HydrophobicContact CD1-CB 4.35Å; L637-I711 HydrophobicContact CB-CD1 4.18Å
638	S	79.6	Confident	84.4	Confident	47 Å²	47	57 Å²	57	33%	0.329	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-21.2	177.5	-169.6	0	0	0	0	113.4	F635 F636	F635-S638 WeakPolarHBondContact O-CB 3.48Å; F635-S638 PolarHBondContact O-N 2.88Å; F635-S638 VanDerWaalsContact O-N 3.12Å; F636-S638 PolarHBondContact O-N 2.84Å
639	F	81.2	Confident	84	Confident	135 Å²	135	55.4 Å²	55.4	59%	0.592	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95	-4.5	178.8	-61.1	-75.6	0	0	0	113.1	F635 F636 L637 N641	F635-F639 HydrophobicContact CD1-CE2 4.34Å; F635-F639 AromaticContact CE1-CE2 3.82Å; F635-F639 HydrophobicContact CE1-CE2 3.82Å; F635-F639 HydrophobicContact CE1-CZ 4.41Å; F635-F639 HydrophobicContact CZ-CE2 4.33Å; F636-F639 HydrophobicContact CD1-CD2 4.34Å; F636-F639 PolarHBondContact O-N 2.99Å; F636-F639 VanDerWaalsContact O-N 3.11Å; L637-F639 PolarHBondContact O-N 2.92Å; F639-N641 PolarHBondContact O-N 3.29Å; F639-N641 VanDerWaalsContact O-N 3.08Å
640	G	75.4	Confident	83.6	Confident	6 Å²	6	52.6 Å²	52.6	6%	0.062	30%	0.296	C	S	.	.			trans	-71.9	97.8	178.7	0	0	0	0	0	112	L637	L637-G640 PolarHBondContact O-N 2.99Å
641	N	73.6	Confident	83.3	Confident	138 Å²	138	54.5 Å²	54.5	74%	0.738	31%	0.309	S	S	*	.			trans	-94.6	-15.6	177.6	-73.4	-32.4	0	0	0	114.2	F639	F639-N641 PolarHBondContact O-N 3.29Å; F639-N641 VanDerWaalsContact O-N 3.08Å
642	S	81.1	Confident	83.1	Confident	53 Å²	53	57.5 Å²	57.5	37%	0.371	32%	0.323	S	S	.	.	S	Bend	trans	-102.9	149.7	175.7	68.8	0	0	0	0	111.9	S644 A645 M646	S642-S644 VanDerWaalsContact C-N 3.29Å; S642-S644 PolarHBondContact O-N 2.89Å; S642-S644 PolarHBondContact OG-OG 2.98Å; S642-A645 PolarHBondContact O-N 3.01Å; S642-A645 WeakPolarHBondContact OG-CB 3.34Å; S642-A645 PolarHBondContact OG-N 2.82Å; S642-A645 VanDerWaalsContact OG-N 3.13Å; S642-M646 WeakPolarHBondContact O-CG 3.28Å; S642-M646 PolarHBondContact O-N 2.92Å
643	E	77.8	Confident	83	Confident	87 Å²	87	54 Å²	54	41%	0.407	30%	0.302	S	S	.	.	H	α-helix	trans	-54.7	-45.8	174.6	-179.2	178.2	159.7	0	0	111.3	I467 Q471 A645 M646 I647	I467-E643 HydrophobicContact CG2-CG 3.97Å; Q471-E643 VanDerWaalsContact NE2-CD 3.26Å; Q471-E643 PolarHBondContact NE2-OE1 3.44Å; Q471-E643 PolarHBondContact NE2-OE2 3.14Å; E643-A645 PolarHBondContact O-N 2.81Å; E643-M646 PolarHBondContact O-N 2.84Å; E643-I647 HydrophobicContact CG-CD1 3.98Å; E643-I647 WeakPolarHBondContact O-CG1 3.16Å; E643-I647 PolarHBondContact O-N 3.34Å
644	S	81.1	Confident	82.9	Confident	87 Å²	87	54.1 Å²	54.1	61%	0.608	30%	0.303	S	S	*	.	H	α-helix	trans	-64.6	-38.8	179.6	55.7	0	0	0	0	113.3	S642 A648	S642-S644 VanDerWaalsContact C-N 3.29Å; S642-S644 PolarHBondContact O-N 2.89Å; S642-S644 PolarHBondContact OG-OG 2.98Å; S644-A648 WeakPolarHBondContact O-CB 3.41Å; S644-A648 PolarHBondContact O-N 3.24Å
645	A	82.5	Confident	82.9	Confident	34 Å²	34	54.7 Å²	54.7	28%	0.281	31%	0.309	S	S	.	.	H	α-helix	trans	-68.8	-39.5	177.2	0	0	0	0	0	111.5	S642 E643 A648 L649	S642-A645 PolarHBondContact O-N 3.01Å; S642-A645 WeakPolarHBondContact OG-CB 3.34Å; S642-A645 PolarHBondContact OG-N 2.82Å; S642-A645 VanDerWaalsContact OG-N 3.13Å; E643-A645 PolarHBondContact O-N 2.81Å; A645-A648 PolarHBondContact O-N 3.36Å; A645-L649 WeakPolarHBondContact O-CB 3.18Å; A645-L649 WeakPolarHBondContact O-CG 3.37Å; A645-L649 PolarHBondContact O-N 3.47Å
646	M	80.7	Confident	83.1	Confident	5 Å²	5	51.8 Å²	51.8	3%	0.025	30%	0.298	C	S	.	.	H	α-helix	trans	-62.9	-44.4	176	-71.8	-176	64.8	0	0	111.8	F463 M466 I467 L470 S642 E643 L650	F463-M646 HydrophobicContact CD1-CE 3.76Å; F463-M646 HydrophobicContact CE1-CE 3.99Å; M466-M646 HydrophobicContact CB-CE 4.39Å; M466-M646 HydrophobicContact CG-CE 3.94Å; I467-M646 HydrophobicContact CG1-CE 4.35Å; L470-M646 HydrophobicContact CD1-SD 3.73Å; S642-M646 WeakPolarHBondContact O-CG 3.28Å; S642-M646 PolarHBondContact O-N 2.92Å; E643-M646 PolarHBondContact O-N 2.84Å; M646-L650 VanDerWaalsContact O-CB 3.31Å; M646-L650 WeakPolarHBondContact O-CB 3.03Å; M646-L650 PolarHBondContact O-N 3.21Å
647	I	82.5	Confident	83.3	Confident	57 Å²	57	46.7 Å²	46.7	29%	0.292	28%	0.276	S	S	.	.	H	α-helix	trans	-63.1	-46.2	177.2	-65.7	167.2	0	0	0	110.9	I467 E643 L649 L650 C651	I467-I647 HydrophobicContact CD1-CD1 4.47Å; I467-I647 HydrophobicContact CD1-CG1 3.82Å; E643-I647 HydrophobicContact CG-CD1 3.98Å; E643-I647 WeakPolarHBondContact O-CG1 3.16Å; E643-I647 PolarHBondContact O-N 3.34Å; I647-L649 PolarHBondContact O-N 3.16Å; I647-L650 PolarHBondContact O-N 2.83Å; I647-C651 PolarHBondContact O-N 2.8Å; I647-C651 PolarHBondContact O-SG 3.32Å; I647-C651 VanDerWaalsContact O-SG 3.36Å
648	A	84.2	Confident	83.8	Confident	64 Å²	64	46.8 Å²	46.8	53%	0.529	28%	0.276	S	S	.	.	H	α-helix	trans	-62.3	-44	-179.1	0	0	0	0	0	112.5	S644 A645 C651 L652	S644-A648 WeakPolarHBondContact O-CB 3.41Å; S644-A648 PolarHBondContact O-N 3.24Å; A645-A648 PolarHBondContact O-N 3.36Å; A648-C651 PolarHBondContact O-N 2.99Å; A648-L652 PolarHBondContact O-N 2.9Å
649	L	84.3	Confident	84.4	Confident	40 Å²	40	45.1 Å²	45.1	21%	0.209	27%	0.265	C	S	.	.	H	α-helix	trans	-70.2	-31.6	177.7	-73.2	169	0	0	0	112.4	F636 L637 A645 I647 L652 F653	F636-L649 HydrophobicContact CB-CD2 4.35Å; L637-L649 HydrophobicContact CD2-CB 3.21Å; L637-L649 HydrophobicContact CD2-CD1 4.18Å; L637-L649 HydrophobicContact CD2-CG 4.32Å; L637-L649 HydrophobicContact CG-CB 3.93Å; A645-L649 WeakPolarHBondContact O-CB 3.18Å; A645-L649 WeakPolarHBondContact O-CG 3.37Å; A645-L649 PolarHBondContact O-N 3.47Å; I647-L649 PolarHBondContact O-N 3.16Å; L649-L652 HydrophobicContact CD2-CD2 4.39Å; L649-L652 WeakPolarHBondContact O-CB 3.49Å; L649-L652 PolarHBondContact O-N 3.28Å; L649-F653 WeakPolarHBondContact O-CB 3.4Å; L649-F653 PolarHBondContact O-N 3.28Å
650	L	83.6	Confident	85	Confident	35 Å²	35	38.7 Å²	38.7	18%	0.183	24%	0.237	C	C	.	.	H	α-helix	trans	-65.2	-46.1	172.3	174.8	58.7	0	0	0	111.4	F463 M646 I647 L652 F653 G654	F463-L650 HydrophobicContact CB-CD1 4.46Å; F463-L650 HydrophobicContact CB-CD2 3.76Å; F463-L650 HydrophobicContact CD2-CD1 3.45Å; F463-L650 VanDerWaalsContact CD2-CD1 3.45Å; F463-L650 HydrophobicContact CD2-CD2 4.28Å; F463-L650 HydrophobicContact CD2-CG 4.3Å; F463-L650 HydrophobicContact CE2-CD1 3.97Å; F463-L650 HydrophobicContact CG-CD1 4.12Å; F463-L650 HydrophobicContact CG-CD2 4.12Å; M646-L650 VanDerWaalsContact O-CB 3.31Å; M646-L650 WeakPolarHBondContact O-CB 3.03Å; M646-L650 PolarHBondContact O-N 3.21Å; I647-L650 PolarHBondContact O-N 2.83Å; L650-L652 VanDerWaalsContact C-N 3.26Å; L650-L652 PolarHBondContact O-N 3.06Å; L650-F653 HydrophobicContact CD1-CD1 4.34Å; L650-F653 PolarHBondContact O-N 3.48Å; L650-G654 PolarHBondContact O-N 2.99Å
651	C	86.1	Confident	85.8	Confident	40 Å²	40	39.1 Å²	39.1	27%	0.27	24%	0.237	S	C	.	.	H	α-helix	trans	-59.1	-40.6	175.1	-70.8	0	0	0	0	111.4	A602 I647 A648 G655	A602-C651 HydrophobicContact CB-CB 3.87Å; I647-C651 PolarHBondContact O-N 2.8Å; I647-C651 PolarHBondContact O-SG 3.32Å; I647-C651 VanDerWaalsContact O-SG 3.36Å; A648-C651 PolarHBondContact O-N 2.99Å; C651-G655 PolarHBondContact O-N 2.87Å
652	L	87.9	Confident	86.7	Confident	87 Å²	87	32.8 Å²	32.8	46%	0.455	20%	0.203	S	C	.	.	H	α-helix	trans	-62.2	-49.7	174.6	-173.7	76.6	0	0	0	111.4	A648 L649 L650 G655 I656	A648-L652 PolarHBondContact O-N 2.9Å; L649-L652 HydrophobicContact CD2-CD2 4.39Å; L649-L652 WeakPolarHBondContact O-CB 3.49Å; L649-L652 PolarHBondContact O-N 3.28Å; L650-L652 VanDerWaalsContact C-N 3.26Å; L650-L652 PolarHBondContact O-N 3.06Å; L652-G655 PolarHBondContact O-N 2.93Å; L652-I656 HydrophobicContact CD1-CD1 3.96Å; L652-I656 HydrophobicContact CG-CD1 3.86Å; L652-I656 VanDerWaalsContact O-CG1 3.24Å; L652-I656 WeakPolarHBondContact O-CG1 3.48Å; L652-I656 PolarHBondContact O-N 2.88Å; L652-I656 VanDerWaalsContact O-N 3.09Å
653	F	89.6	Confident	87.2	Confident	1 Å²	1	30.2 Å²	30.2	0%	0.004	19%	0.185	C	C	.	.	H	α-helix	trans	-58.3	-51.1	177.2	170	-104.6	0	0	0	111.5	Y456 L459 S633 C634 L637 L649 L650 G655 I656 S657 L718	Y456-F653 HydrophobicContact CD2-CE1 4.17Å; Y456-F653 HydrophobicContact CD2-CZ 4.49Å; L459-F653 HydrophobicContact CB-CE1 4.21Å; L459-F653 HydrophobicContact CD1-CE1 4Å; L459-F653 HydrophobicContact CD1-CE2 4.29Å; L459-F653 HydrophobicContact CD1-CZ 3.79Å; S633-F653 WeakPolarHBondContact OG-CA 3.33Å; C634-F653 HydrophobicContact CB-CD2 4.21Å; C634-F653 HydrophobicContact CB-CE2 4.25Å; L637-F653 HydrophobicContact CD1-CB 4.35Å; L649-F653 WeakPolarHBondContact O-CB 3.4Å; L649-F653 PolarHBondContact O-N 3.28Å; L650-F653 HydrophobicContact CD1-CD1 4.34Å; L650-F653 PolarHBondContact O-N 3.48Å; F653-G655 PolarHBondContact O-N 3.43Å; F653-I656 PolarHBondContact O-N 3.14Å; F653-S657 WeakPolarHBondContact CE2-OG 3.47Å; F653-S657 VanDerWaalsContact O-CB 3.27Å; F653-S657 WeakPolarHBondContact O-CB 3.46Å; F653-S657 PolarHBondContact O-N 3.42Å; F653-S657 PolarHBondContact O-OG 3.47Å; F653-S657 VanDerWaalsContact O-OG 3.05Å; F653-L718 HydrophobicContact CE2-CD1 3.82Å; F653-L718 HydrophobicContact CZ-CD1 4.33Å
654	G	87.4	Confident	88	Confident	7 Å²	7	26.1 Å²	26.1	7%	0.072	17%	0.166	C	C	.	.	H	α-helix	trans	-61.3	-43.2	-179.7	0	0	0	0	0	113	L650 I656 I658	L650-G654 PolarHBondContact O-N 2.99Å; G654-I656 VanDerWaalsContact C-N 3.35Å; G654-I656 PolarHBondContact O-N 2.91Å; G654-I658 PolarHBondContact O-N 3.28Å; G654-I658 VanDerWaalsContact O-N 3.11Å
655	G	88.2	Confident	88.5	Confident	12 Å²	12	22.9 Å²	22.9	12%	0.124	14%	0.142	C	C	.	.	H	α-helix	trans	-68	-29	178.4	0	0	0	0	0	114.1	G606 C651 L652 F653 I658	G606-G655 WeakPolarHBondContact CA-O 3.28Å; C651-G655 PolarHBondContact O-N 2.87Å; L652-G655 PolarHBondContact O-N 2.93Å; F653-G655 PolarHBondContact O-N 3.43Å; G655-I658 WeakPolarHBondContact O-CG2 3.22Å
656	I	91.1	Very high	89	Confident	38 Å²	38	21.3 Å²	21.3	20%	0.195	13%	0.128	C	C	.	.	H	α-helix	trans	-85.3	-40.8	176.9	-62	169.9	0	0	0	110.5	S626 I629 S630 L652 F653 G654 I658 A659	S626-I656 WeakPolarHBondContact O-CG2 3.11Å; I629-I656 HydrophobicContact CB-CG2 3.88Å; I629-I656 HydrophobicContact CG2-CD1 3.67Å; I629-I656 HydrophobicContact CG2-CG2 3.82Å; S630-I656 WeakPolarHBondContact OG-CG2 3.37Å; L652-I656 HydrophobicContact CD1-CD1 3.96Å; L652-I656 HydrophobicContact CG-CD1 3.86Å; L652-I656 VanDerWaalsContact O-CG1 3.24Å; L652-I656 WeakPolarHBondContact O-CG1 3.48Å; L652-I656 PolarHBondContact O-N 2.88Å; L652-I656 VanDerWaalsContact O-N 3.09Å; F653-I656 PolarHBondContact O-N 3.14Å; G654-I656 VanDerWaalsContact C-N 3.35Å; G654-I656 PolarHBondContact O-N 2.91Å; I656-I658 VanDerWaalsContact C-N 3.27Å; I656-I658 PolarHBondContact O-N 3.41Å; I656-A659 WeakPolarHBondContact O-CB 3.24Å; I656-A659 PolarHBondContact O-N 3.46Å
657	S	91.4	Very high	89.5	Confident	2 Å²	2	21 Å²	21	1%	0.014	13%	0.127	C	C	.	.	H	α-helix	trans	-64.9	-29	179.4	-68.8	0	0	0	0	112.9	M452 S630 F653 A659 S660 W661	M452-S657 VanDerWaalsContact CE-O 3.27Å; M452-S657 WeakPolarHBondContact CE-O 3.25Å; S630-S657 VanDerWaalsContact CB-OG 3.28Å; S630-S657 WeakPolarHBondContact CB-OG 3.21Å; S630-S657 WeakPolarHBondContact OG-CA 3.41Å; S630-S657 PolarHBondContact OG-N 3.19Å; S630-S657 PolarHBondContact OG-OG 3.06Å; F653-S657 WeakPolarHBondContact CE2-OG 3.47Å; F653-S657 VanDerWaalsContact O-CB 3.27Å; F653-S657 WeakPolarHBondContact O-CB 3.46Å; F653-S657 PolarHBondContact O-N 3.42Å; F653-S657 PolarHBondContact O-OG 3.47Å; F653-S657 VanDerWaalsContact O-OG 3.05Å; S657-A659 VanDerWaalsContact C-N 3.27Å; S657-A659 PolarHBondContact O-N 2.91Å; S657-S660 VanDerWaalsContact O-CB 3.31Å; S657-S660 WeakPolarHBondContact O-CB 3.28Å; S657-S660 PolarHBondContact O-N 2.98Å; S657-S660 VanDerWaalsContact O-N 3.13Å; S657-W661 VanDerWaalsContact O-CD1 3.25Å; S657-W661 PolarHBondContact O-N 3.19Å; S657-W661 VanDerWaalsContact O-N 3.08Å
658	I	91.3	Very high	90	Very high	8 Å²	8	18.3 Å²	18.3	4%	0.041	11%	0.113	C	C	.	.	H	α-helix	trans	-65.4	-31.3	177.1	-154.6	70.2	0	0	0	112.7	M297 V603 N607 G654 G655 I656 S660 W661 N662	M297-I658 HydrophobicContact SD-CD1 4.36Å; V603-I658 HydrophobicContact CG1-CB 3.63Å; V603-I658 HydrophobicContact CG1-CD1 4.03Å; V603-I658 HydrophobicContact CG1-CG1 3.64Å; V603-I658 HydrophobicContact CG1-CG2 3.75Å; N607-I658 WeakPolarHBondContact OD1-CG1 3.42Å; N607-I658 WeakPolarHBondContact OD1-CG2 3.38Å; G654-I658 PolarHBondContact O-N 3.28Å; G654-I658 VanDerWaalsContact O-N 3.11Å; G655-I658 WeakPolarHBondContact O-CG2 3.22Å; I656-I658 VanDerWaalsContact C-N 3.27Å; I656-I658 PolarHBondContact O-N 3.41Å; I658-S660 VanDerWaalsContact C-N 3.28Å; I658-S660 PolarHBondContact O-N 3.1Å; I658-W661 HydrophobicContact CD1-CB 4.34Å; I658-W661 WeakPolarHBondContact O-CB 3.32Å; I658-W661 PolarHBondContact O-N 3.12Å; I658-W661 VanDerWaalsContact O-N 3.11Å; I658-N662 VanDerWaalsContact O-CG 3.29Å; I658-N662 PolarHBondContact O-N 3.24Å; I658-N662 PolarHBondContact O-OD1 3.26Å
659	A	91.7	Very high	90.3	Very high	11 Å²	11	15.3 Å²	15.3	9%	0.091	9%	0.088	C	C	.	.	H	α-helix	trans	-65.7	-35.7	174.6	0	0	0	0	0	111.3	I656 S657 W661 S663	I656-A659 WeakPolarHBondContact O-CB 3.24Å; I656-A659 PolarHBondContact O-N 3.46Å; S657-A659 VanDerWaalsContact C-N 3.27Å; S657-A659 PolarHBondContact O-N 2.91Å; A659-W661 VanDerWaalsContact C-N 3.34Å; A659-S663 PolarHBondContact O-N 3.39Å
660	S	92.8	Very high	90.5	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-64.2	-39.7	171.2	-59	0	0	0	0	111.2	L623 S626 S627 S657 I658 S663 L664	L623-S660 VanDerWaalsContact CD1-O 3.24Å; L623-S660 WeakPolarHBondContact CD1-O 3.42Å; L623-S660 PolarHBondContact O-OG 2.95Å; S626-S660 VanDerWaalsContact CB-OG 3.23Å; S626-S660 WeakPolarHBondContact CB-OG 3.45Å; S626-S660 VanDerWaalsContact OG-CA 3.29Å; S626-S660 WeakPolarHBondContact OG-CA 3.3Å; S626-S660 WeakPolarHBondContact OG-CB 3.45Å; S626-S660 PolarHBondContact OG-N 2.9Å; S626-S660 VanDerWaalsContact OG-N 3.14Å; S626-S660 PolarHBondContact OG-OG 2.88Å; S627-S660 PolarHBondContact N-OG 3.36Å; S627-S660 PolarHBondContact OG-OG 2.83Å; S657-S660 VanDerWaalsContact O-CB 3.31Å; S657-S660 WeakPolarHBondContact O-CB 3.28Å; S657-S660 PolarHBondContact O-N 2.98Å; S657-S660 VanDerWaalsContact O-N 3.13Å; I658-S660 VanDerWaalsContact C-N 3.28Å; I658-S660 PolarHBondContact O-N 3.1Å; S660-S663 PolarHBondContact O-N 3.28Å; S660-L664 WeakPolarHBondContact O-CB 3.49Å; S660-L664 PolarHBondContact O-N 3.2Å
661	W	92.8	Very high	90.8	Very high	15 Å²	15	13.7 Å²	13.7	6%	0.057	8%	0.079	C	C	.	.	H	α-helix	trans	-66.4	-49.5	-176.6	-82.8	116	0	0	0	110.7	W449 M452 Y456 Y457 S657 I658 A659 S663 L664 D665	W449-W661 AromaticContact CE3-CZ3 3.84Å; W449-W661 HydrophobicContact CE3-CZ3 3.84Å; W449-W661 HydrophobicContact CZ3-CE3 4.3Å; W449-W661 AromaticContact CZ3-CZ3 3.65Å; W449-W661 HydrophobicContact CZ3-CZ3 3.65Å; M452-W661 HydrophobicContact CB-CH2 4.44Å; M452-W661 HydrophobicContact CE-CB 4.1Å; M452-W661 HydrophobicContact CE-CD2 3.53Å; M452-W661 HydrophobicContact CE-CE3 4.29Å; M452-W661 HydrophobicContact CE-CG 3.39Å; M452-W661 HydrophobicContact CE-CZ2 4.44Å; M452-W661 HydrophobicContact CG-CD2 4.23Å; M452-W661 HydrophobicContact CG-CE3 4.48Å; M452-W661 HydrophobicContact CG-CH2 4.1Å; M452-W661 HydrophobicContact CG-CZ2 3.83Å; M452-W661 HydrophobicContact CG-CZ3 4.41Å; M452-W661 HydrophobicContact SD-CD2 4.11Å; M452-W661 HydrophobicContact SD-CE3 4.3Å; M452-W661 HydrophobicContact SD-CG 4.44Å; Y456-W661 AromaticContact CD1-CE2 3.94Å; Y456-W661 HydrophobicContact CD1-CZ2 4.03Å; Y456-W661 AromaticContact CD1-NE1 3.35Å; Y456-W661 VanDerWaalsContact CD1-NE1 3.35Å; Y456-W661 AromaticContact CD2-NE1 3.45Å; Y456-W661 AromaticContact CE1-NE1 3.79Å; Y456-W661 AromaticContact CE2-NE1 3.87Å; Y456-W661 AromaticContact CG-CE2 3.95Å; Y456-W661 HydrophobicContact CG-CZ2 4.12Å; Y456-W661 AromaticContact CG-NE1 3.17Å; Y457-W661 HydrophobicContact CD2-CZ2 4.34Å; Y457-W661 HydrophobicContact CE2-CH2 4.06Å; Y457-W661 AromaticContact CE2-CZ2 3.98Å; Y457-W661 HydrophobicContact CE2-CZ2 3.98Å; S657-W661 VanDerWaalsContact O-CD1 3.25Å; S657-W661 PolarHBondContact O-N 3.19Å; S657-W661 VanDerWaalsContact O-N 3.08Å; I658-W661 HydrophobicContact CD1-CB 4.34Å; I658-W661 WeakPolarHBondContact O-CB 3.32Å; I658-W661 PolarHBondContact O-N 3.12Å; I658-W661 VanDerWaalsContact O-N 3.11Å; A659-W661 VanDerWaalsContact C-N 3.34Å; W661-S663 PolarHBondContact O-N 3.16Å; W661-L664 HydrophobicContact CE3-CD2 4.3Å; W661-L664 HydrophobicContact CZ3-CD2 4.24Å; W661-L664 WeakPolarHBondContact O-CB 3.42Å; W661-L664 PolarHBondContact O-N 3.18Å; W661-D665 PolarHBondContact O-N 2.92Å
662	N	92.7	Very high	90.9	Very high	5 Å²	5	12 Å²	12	3%	0.027	7%	0.068	C	C	.	.	H	α-helix	trans	-59.2	-37.9	177	-61.2	-12.2	0	0	0	111.1	C293 N607 S610 I658 V666	C293-N662 HydrophobicContact CB-CB 4.38Å; C293-N662 WeakPolarHBondContact CB-OD1 3.36Å; N607-N662 PolarHBondContact OD1-ND2 3.13Å; S610-N662 PolarHBondContact OG-ND2 3.27Å; I658-N662 VanDerWaalsContact O-CG 3.29Å; I658-N662 PolarHBondContact O-N 3.24Å; I658-N662 PolarHBondContact O-OD1 3.26Å; N662-V666 VanDerWaalsContact O-CG2 3.32Å; N662-V666 WeakPolarHBondContact O-CG2 3.3Å; N662-V666 PolarHBondContact O-N 2.82Å
663	S	91.9	Very high	90.8	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-67.4	-40.2	176.8	-151.1	0	0	0	0	113	R619 A659 S660 W661 V666 L667	R619-S663 PolarHBondContact O-OG 3.19Å; A659-S663 PolarHBondContact O-N 3.39Å; S660-S663 PolarHBondContact O-N 3.28Å; W661-S663 PolarHBondContact O-N 3.16Å; S663-V666 PolarHBondContact O-N 3.25Å; S663-L667 WeakPolarHBondContact O-CB 3.46Å; S663-L667 PolarHBondContact O-N 3.07Å
664	L	93.9	Very high	90.4	Very high	0 Å²	0	8 Å²	8	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-64.9	-41.2	178.9	-173.4	61.7	0	0	0	111.7	M445 V448 W449 M452 L623 S660 W661 T668	M445-L664 HydrophobicContact CE-CD1 3.89Å; M445-L664 HydrophobicContact SD-CD1 4.5Å; V448-L664 HydrophobicContact CB-CD1 4.44Å; V448-L664 HydrophobicContact CG1-CD1 3.63Å; V448-L664 HydrophobicContact CG1-CD2 4.34Å; W449-L664 HydrophobicContact CD2-CD2 3.55Å; W449-L664 HydrophobicContact CD2-CG 4.01Å; W449-L664 HydrophobicContact CE3-CD2 3.85Å; W449-L664 HydrophobicContact CG-CD2 3.86Å; W449-L664 HydrophobicContact CG-CG 4.34Å; W449-L664 HydrophobicContact CZ2-CD2 4.21Å; W449-L664 HydrophobicContact CZ2-CG 3.94Å; W449-L664 HydrophobicContact CZ3-CD2 4.35Å; M452-L664 HydrophobicContact SD-CD2 3.99Å; L623-L664 HydrophobicContact CD1-CB 3.98Å; L623-L664 HydrophobicContact CD1-CD1 4.45Å; L623-L664 HydrophobicContact CD2-CD1 4.07Å; S660-L664 WeakPolarHBondContact O-CB 3.49Å; S660-L664 PolarHBondContact O-N 3.2Å; W661-L664 HydrophobicContact CE3-CD2 4.3Å; W661-L664 HydrophobicContact CZ3-CD2 4.24Å; W661-L664 WeakPolarHBondContact O-CB 3.42Å; W661-L664 PolarHBondContact O-N 3.18Å; L664-T668 WeakPolarHBondContact O-CB 3.09Å; L664-T668 PolarHBondContact O-N 3.05Å; L664-T668 PolarHBondContact O-OG1 2.85Å
665	D	92.8	Very high	90	Very high	20 Å²	20	9.3 Å²	9.3	11%	0.107	5%	0.051	C	C	.	.	H	α-helix	trans	-61	-51.1	176.2	-70.2	-30.2	0	0	0	111.1	F273 W449 W661 L667 T668 V669 F681	F273-D665 HydrophobicContact CD1-CB 4.18Å; F273-D665 HydrophobicContact CE1-CB 3.61Å; F273-D665 HydrophobicContact CZ-CB 3.79Å; W449-D665 WeakPolarHBondContact CH2-OD1 3.32Å; W661-D665 PolarHBondContact O-N 2.92Å; D665-L667 PolarHBondContact O-N 2.98Å; D665-T668 PolarHBondContact O-N 3.37Å; D665-V669 WeakPolarHBondContact O-CG2 3.22Å; D665-V669 PolarHBondContact O-N 3.09Å; D665-F681 HydrophobicContact CB-CZ 4.17Å
666	V	91.6	Very high	89.8	Confident	0 Å²	0	10.2 Å²	10.2	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-62.7	-46.3	179.2	177.9	0	0	0	0	111.1	L289 M614 R619 N662 S663 T668 V669 E670	L289-V666 HydrophobicContact CB-CG2 3.64Å; L289-V666 HydrophobicContact CD1-CG1 4.13Å; L289-V666 HydrophobicContact CD1-CG2 4.41Å; M614-V666 HydrophobicContact CE-CB 3.44Å; M614-V666 VanDerWaalsContact CE-CB 3.44Å; M614-V666 HydrophobicContact CE-CG1 3.72Å; M614-V666 HydrophobicContact CE-CG2 3.64Å; R619-V666 HydrophobicContact CG-CG1 4.18Å; N662-V666 VanDerWaalsContact O-CG2 3.32Å; N662-V666 WeakPolarHBondContact O-CG2 3.3Å; N662-V666 PolarHBondContact O-N 2.82Å; S663-V666 PolarHBondContact O-N 3.25Å; V666-T668 PolarHBondContact O-N 3.5Å; V666-V669 PolarHBondContact O-N 3.01Å; V666-E670 HydrophobicContact CG1-CG 4.32Å; V666-E670 WeakPolarHBondContact O-CG 3.26Å; V666-E670 PolarHBondContact O-N 2.83Å; V666-E670 VanDerWaalsContact O-N 3.13Å
667	L	92.1	Very high	89.8	Confident	0 Å²	0	8.4 Å²	8.4	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-60	-37.5	179.4	-176.1	65	0	0	0	111.5	M445 R619 L620 L623 S663 D665 V669 E670 L671 L728 T731	M445-L667 HydrophobicContact SD-CD2 4.37Å; R619-L667 HydrophobicContact CB-CD1 4.48Å; L620-L667 HydrophobicContact CD1-CD2 4.37Å; L623-L667 HydrophobicContact CD2-CD2 3.87Å; S663-L667 WeakPolarHBondContact O-CB 3.46Å; S663-L667 PolarHBondContact O-N 3.07Å; D665-L667 PolarHBondContact O-N 2.98Å; L667-V669 PolarHBondContact O-N 3.34Å; L667-E670 PolarHBondContact O-N 3.07Å; L667-L671 HydrophobicContact CD1-CD1 4.13Å; L667-L671 HydrophobicContact CD1-CG 4.08Å; L667-L671 HydrophobicContact CD2-CD1 4.34Å; L667-L671 HydrophobicContact CG-CD1 3.73Å; L667-L671 HydrophobicContact CG-CG 4.17Å; L667-L671 WeakPolarHBondContact O-CB 3.3Å; L667-L671 WeakPolarHBondContact O-CG 3.5Å; L667-L671 PolarHBondContact O-N 2.75Å; L667-L728 HydrophobicContact CD2-CD1 4.02Å; L667-T731 HydrophobicContact CD1-CG2 3.76Å
668	T	92.6	Very high	89.8	Confident	0 Å²	0	8.3 Å²	8.3	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-63.2	-41	178.3	-56.8	0	0	0	0	111.9	M445 W449 L664 D665 V666 Y672 F681 L684	M445-T668 HydrophobicContact CE-CG2 4.34Å; M445-T668 WeakPolarHBondContact CE-OG1 3.37Å; W449-T668 PolarHBondContact NE1-OG1 3.2Å; L664-T668 WeakPolarHBondContact O-CB 3.09Å; L664-T668 PolarHBondContact O-N 3.05Å; L664-T668 PolarHBondContact O-OG1 2.85Å; D665-T668 PolarHBondContact O-N 3.37Å; V666-T668 PolarHBondContact O-N 3.5Å; T668-Y672 HydrophobicContact CG2-CE2 4.44Å; T668-Y672 WeakPolarHBondContact O-CD2 3.29Å; T668-F681 HydrophobicContact CG2-CB 3.84Å; T668-F681 HydrophobicContact CG2-CD1 4.1Å; T668-F681 HydrophobicContact CG2-CD2 3.71Å; T668-F681 HydrophobicContact CG2-CE2 4.31Å; T668-F681 HydrophobicContact CG2-CG 3.62Å; T668-L684 HydrophobicContact CG2-CD1 3.69Å
669	V	90.3	Very high	89.9	Confident	0 Å²	0	8.2 Å²	8.2	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-66.7	-39.5	178	175.4	0	0	0	0	111.1	F273 S277 D665 V666 L667 R677 F681	F273-V669 HydrophobicContact CB-CG2 3.65Å; F273-V669 HydrophobicContact CD1-CG2 4.25Å; F273-V669 HydrophobicContact CG-CG2 4.37Å; S277-V669 VanDerWaalsContact CB-CG1 3.42Å; S277-V669 VanDerWaalsContact OG-CG1 3.27Å; S277-V669 WeakPolarHBondContact OG-CG1 3.4Å; D665-V669 WeakPolarHBondContact O-CG2 3.22Å; D665-V669 PolarHBondContact O-N 3.09Å; V666-V669 PolarHBondContact O-N 3.01Å; L667-V669 PolarHBondContact O-N 3.34Å; V669-R677 WeakPolarHBondContact O-CD 3.46Å; V669-R677 PolarHBondContact O-NE 3.37Å; V669-F681 HydrophobicContact CG2-CD1 3.8Å; V669-F681 HydrophobicContact CG2-CE1 3.59Å
670	E	89.6	Confident	90	Very high	16 Å²	16	7.7 Å²	7.7	8%	0.075	4%	0.037	C	C	.	.	H	α-helix	trans	-79.2	-24.4	-174.9	-63.9	-172.3	152	0	0	113.7	R285 R619 V666 L667 T731 L736	R285-E670 IonicContact CZ-OE1 3.93Å; R285-E670 IonicContact NE-OE1 3.38Å; R285-E670 PolarHBondContact NE-OE1 2.89Å; R285-E670 IonicContact NH2-OE1 3.98Å; R285-E670 PolarHBondContact NH2-OE1 3.31Å; R285-E670 IonicContact NH2-OE2 3.65Å; R619-E670 IonicContact NH1-OE1 3.68Å; R619-E670 IonicContact NH1-OE2 3.92Å; V666-E670 HydrophobicContact CG1-CG 4.32Å; V666-E670 WeakPolarHBondContact O-CG 3.26Å; V666-E670 PolarHBondContact O-N 2.83Å; V666-E670 VanDerWaalsContact O-N 3.13Å; L667-E670 PolarHBondContact O-N 3.07Å; E670-T731 HydrophobicContact CB-CG2 3.89Å; E670-T731 VanDerWaalsContact OE2-CB 3.23Å; E670-T731 WeakPolarHBondContact OE2-CB 3.39Å; E670-T731 PolarHBondContact OE2-OG1 2.82Å; E670-L736 HydrophobicContact CB-CD2 4.5Å; E670-L736 HydrophobicContact CG-CD2 4.44Å
671	L	88.8	Confident	90.1	Very high	26 Å²	26	7.7 Å²	7.7	14%	0.136	4%	0.037	C	C	.	.	H	α-helix	trans	-77.3	-27.2	-177.3	-80	170.5	0	0	0	114.5	T441 M445 L667 P729 T731	T441-L671 HydrophobicContact CG2-CB 4.46Å; T441-L671 HydrophobicContact CG2-CD1 3.98Å; T441-L671 HydrophobicContact CG2-CD2 3.99Å; T441-L671 HydrophobicContact CG2-CG 4.39Å; M445-L671 HydrophobicContact CE-CD1 3.97Å; M445-L671 HydrophobicContact CG-CD1 3.85Å; M445-L671 HydrophobicContact SD-CD1 3.54Å; M445-L671 VanDerWaalsContact SD-CD1 3.54Å; L667-L671 HydrophobicContact CD1-CD1 4.13Å; L667-L671 HydrophobicContact CD1-CG 4.08Å; L667-L671 HydrophobicContact CD2-CD1 4.34Å; L667-L671 HydrophobicContact CG-CD1 3.73Å; L667-L671 HydrophobicContact CG-CG 4.17Å; L667-L671 WeakPolarHBondContact O-CB 3.3Å; L667-L671 WeakPolarHBondContact O-CG 3.5Å; L667-L671 PolarHBondContact O-N 2.75Å; L671-P729 HydrophobicContact CD2-CG 3.66Å; L671-T731 HydrophobicContact CD2-CG2 3.86Å; L671-T731 HydrophobicContact CG-CG2 4.09Å
672	Y	88.9	Confident	90.2	Very high	5 Å²	5	7 Å²	7	2%	0.02	3%	0.034	C	C	.	.	S	Bend	trans	-108.2	143.5	-174.5	-65.8	-79.5	0	0	0	112	I433 T442 T668 R677 A680 L684	I433-Y672 HydrophobicContact CG2-CE1 3.93Å; T442-Y672 WeakPolarHBondContact CA-OH 3.31Å; T442-Y672 PolarHBondContact OG1-OH 2.88Å; T668-Y672 HydrophobicContact CG2-CE2 4.44Å; T668-Y672 WeakPolarHBondContact O-CD2 3.29Å; Y672-R677 PolarHBondContact O-NE 3.04Å; Y672-R677 PolarHBondContact O-NH2 3.04Å; Y672-A680 HydrophobicContact CD1-CB 3.67Å; Y672-A680 HydrophobicContact CD2-CB 3.6Å; Y672-A680 HydrophobicContact CE1-CB 3.78Å; Y672-A680 HydrophobicContact CE2-CB 3.72Å; Y672-A680 HydrophobicContact CG-CB 3.57Å; Y672-L684 HydrophobicContact CE2-CD1 3.94Å
673	P	85.2	Confident	90.3	Very high	4 Å²	4	8.2 Å²	8.2	3%	0.026	4%	0.039	C	C	.	.			trans	-70.2	154.2	177.7	32.4	-37.1	0	0	0	111	H675 K676 R677 Q737	P673-H675 PolarHBondContact O-N 3.25Å; P673-K676 HydrophobicContact CG-CB 4.38Å; P673-K676 HydrophobicContact CG-CD 4.44Å; P673-K676 CarbonylContact O-C 3.54Å; P673-K676 PolarHBondContact O-N 2.84Å; P673-R677 WeakPolarHBondContact O-CB 3.42Å; P673-R677 PolarHBondContact O-N 2.81Å; P673-Q737 CarbonylContact C-O 3.53Å; P673-Q737 WeakPolarHBondContact CA-O 3.41Å; P673-Q737 HydrophobicContact CB-CB 4.13Å
674	S	80.8	Confident	90.4	Very high	0 Å²	0	8.2 Å²	8.2	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-58.7	-46.3	-164.1	-52.4	0	0	0	0	113.9	R227 R355 E359 K676 R677 Q737	R227-S674 PolarHBondContact NH2-O 2.86Å; R227-S674 VanDerWaalsContact NH2-O 3.1Å; R355-S674 WeakPolarHBondContact CD-OG 3.5Å; R355-S674 PolarHBondContact NE-OG 2.97Å; R355-S674 PolarHBondContact NH2-OG 2.67Å; E359-S674 VanDerWaalsContact OE1-CB 3.32Å; E359-S674 WeakPolarHBondContact OE1-CB 3.42Å; S674-K676 PolarHBondContact O-N 2.88Å; S674-K676 VanDerWaalsContact O-N 3.1Å; S674-R677 PolarHBondContact O-N 2.85Å; S674-R677 PolarHBondContact OG-NH1 2.79Å; S674-R677 PolarHBondContact OG-NH2 2.82Å; S674-Q737 PolarHBondContact N-O 2.82Å; S674-Q737 PolarHBondContact OG-O 2.45Å; S674-Q737 VanDerWaalsContact OG-O 3.04Å
675	H	79.2	Confident	90.5	Very high	33 Å²	33	8.3 Å²	8.3	15%	0.153	4%	0.04	C	C	.	.	H	α-helix	trans	-61.3	-11.4	174.2	66.1	-71.8	0	0	0	117.2	R141 E359 P673	R141-H675 PolarHBondContact NH1-CE1 3.09Å; R141-H675 PolarHBondContact NH1-NE2 2.94Å; E359-H675 WeakPolarHBondContact OE1-CB 3.5Å; E359-H675 PolarHBondContact OE1-N 3.32Å; E359-H675 IonicContact OE1-ND1 2.68Å; E359-H675 PolarHBondContact OE2-N 3.34Å; P673-H675 PolarHBondContact O-N 3.25Å
676	K	85.1	Confident	90.6	Very high	31 Å²	31	7.8 Å²	7.8	14%	0.135	4%	0.038	C	C	.	.	H	α-helix	trans	-125.3	-6.2	177.8	-69	168.7	-175.1	175.6	0	113.1	T432 P673 S674 T678 T679 A680	T432-K676 WeakPolarHBondContact OG1-CE 3.48Å; P673-K676 HydrophobicContact CG-CB 4.38Å; P673-K676 HydrophobicContact CG-CD 4.44Å; P673-K676 CarbonylContact O-C 3.54Å; P673-K676 PolarHBondContact O-N 2.84Å; S674-K676 PolarHBondContact O-N 2.88Å; S674-K676 VanDerWaalsContact O-N 3.1Å; K676-T678 PolarHBondContact O-N 2.99Å; K676-T679 PolarHBondContact O-N 2.83Å; K676-A680 WeakPolarHBondContact O-CB 3.4Å; K676-A680 PolarHBondContact O-N 2.91Å
677	R	90.7	Very high	90.8	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-61.6	-49.4	-169.2	178.5	-172.4	-67.7	133.7	15.2	111.1	S277 E278 V669 Y672 P673 S674 T679 A680 F681	S277-R677 PolarHBondContact OG-NH1 3.13Å; E278-R677 IonicContact OE1-NH1 3.2Å; V669-R677 WeakPolarHBondContact O-CD 3.46Å; V669-R677 PolarHBondContact O-NE 3.37Å; Y672-R677 PolarHBondContact O-NE 3.04Å; Y672-R677 PolarHBondContact O-NH2 3.04Å; P673-R677 WeakPolarHBondContact O-CB 3.42Å; P673-R677 PolarHBondContact O-N 2.81Å; S674-R677 PolarHBondContact O-N 2.85Å; S674-R677 PolarHBondContact OG-NH1 2.79Å; S674-R677 PolarHBondContact OG-NH2 2.82Å; R677-T679 VanDerWaalsContact C-N 3.34Å; R677-A680 PolarHBondContact O-N 3.23Å; R677-F681 WeakPolarHBondContact O-CB 3.28Å; R677-F681 PolarHBondContact O-N 2.9Å
678	T	92.3	Very high	90.9	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-71.7	-33.8	-174.4	-46.3	0	0	0	0	111.2	G219 A222 D223 P270 I271 S274 K676 G682	G219-T678 CarbonylContact O-C 3.31Å; G219-T678 VanDerWaalsContact O-C 3.24Å; A222-T678 HydrophobicContact CB-CG2 3.46Å; A222-T678 VanDerWaalsContact CB-CG2 3.46Å; D223-T678 WeakPolarHBondContact OD1-CB 3.1Å; D223-T678 PolarHBondContact OD1-OG1 3.46Å; D223-T678 PolarHBondContact OD2-N 3.35Å; P270-T678 HydrophobicContact CB-CG2 4.29Å; I271-T678 HydrophobicContact CB-CG2 4.48Å; I271-T678 HydrophobicContact CG1-CG2 3.82Å; S274-T678 WeakPolarHBondContact CB-OG1 3.38Å; S274-T678 PolarHBondContact OG-OG1 2.84Å; K676-T678 PolarHBondContact O-N 2.99Å; T678-G682 PolarHBondContact O-N 2.88Å
679	T	92.8	Very high	91	Very high	6 Å²	6	9.2 Å²	9.2	4%	0.037	5%	0.046	C	C	.	.	H	α-helix	trans	-61.5	-47.8	171	-55.3	0	0	0	0	111.4	G219 D223 N429 F430 I433 K676 R677 G682 F683	G219-T679 PolarHBondContact O-N 3.47Å; D223-T679 WeakPolarHBondContact OD2-CB 3.34Å; D223-T679 PolarHBondContact OD2-N 3.14Å; D223-T679 PolarHBondContact OD2-OG1 2.83Å; N429-T679 HydrophobicContact CB-CG2 4.27Å; F430-T679 HydrophobicContact CB-CG2 4.44Å; I433-T679 HydrophobicContact CD1-CG2 3.68Å; K676-T679 PolarHBondContact O-N 2.83Å; R677-T679 VanDerWaalsContact C-N 3.34Å; T679-G682 PolarHBondContact O-N 3.5Å; T679-F683 PolarHBondContact O-N 3.42Å
680	A	93.4	Very high	91.2	Very high	1 Å²	1	12.5 Å²	12.5	1%	0.008	6%	0.063	C	C	.	.	H	α-helix	trans	-65.3	-45.4	-179.9	0	0	0	0	0	112.4	I433 Y672 K676 R677 F683 L684	I433-A680 HydrophobicContact CD1-CB 3.73Å; I433-A680 HydrophobicContact CG1-CB 4.19Å; I433-A680 HydrophobicContact CG2-CB 4.29Å; Y672-A680 HydrophobicContact CD1-CB 3.67Å; Y672-A680 HydrophobicContact CD2-CB 3.6Å; Y672-A680 HydrophobicContact CE1-CB 3.78Å; Y672-A680 HydrophobicContact CE2-CB 3.72Å; Y672-A680 HydrophobicContact CG-CB 3.57Å; K676-A680 WeakPolarHBondContact O-CB 3.4Å; K676-A680 PolarHBondContact O-N 2.91Å; R677-A680 PolarHBondContact O-N 3.23Å; A680-F683 PolarHBondContact O-N 3.42Å; A680-L684 WeakPolarHBondContact O-CB 3.38Å; A680-L684 VanDerWaalsContact O-CG 3.31Å; A680-L684 WeakPolarHBondContact O-CG 3.4Å; A680-L684 PolarHBondContact O-N 3.24Å
681	F	94.7	Very high	91.5	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-64.7	-43.9	176.2	-162.2	167.9	0	0	0	110.7	I269 P270 F273 W449 D665 T668 V669 R677 F683 L684 N685	I269-F681 HydrophobicContact CG2-CE2 4.26Å; I269-F681 HydrophobicContact CG2-CZ 3.93Å; P270-F681 HydrophobicContact CB-CB 3.71Å; P270-F681 HydrophobicContact CB-CD1 4.01Å; P270-F681 HydrophobicContact CB-CD2 4.05Å; P270-F681 HydrophobicContact CB-CG 3.64Å; F273-F681 HydrophobicContact CB-CD1 4.4Å; F273-F681 HydrophobicContact CB-CE1 3.68Å; F273-F681 HydrophobicContact CD2-CE1 4.45Å; F273-F681 HydrophobicContact CG-CE1 4.01Å; F273-F681 HydrophobicContact CG-CZ 4.5Å; W449-F681 HydrophobicContact CH2-CD2 4.48Å; W449-F681 AromaticContact CH2-CE2 3.62Å; W449-F681 HydrophobicContact CH2-CE2 3.62Å; W449-F681 HydrophobicContact CH2-CZ 4.39Å; W449-F681 HydrophobicContact CZ2-CD2 4.11Å; W449-F681 AromaticContact CZ2-CE2 3.5Å; W449-F681 HydrophobicContact CZ2-CE2 3.5Å; W449-F681 HydrophobicContact CZ2-CZ 4.28Å; D665-F681 HydrophobicContact CB-CZ 4.17Å; T668-F681 HydrophobicContact CG2-CB 3.84Å; T668-F681 HydrophobicContact CG2-CD1 4.1Å; T668-F681 HydrophobicContact CG2-CD2 3.71Å; T668-F681 HydrophobicContact CG2-CE2 4.31Å; T668-F681 HydrophobicContact CG2-CG 3.62Å; V669-F681 HydrophobicContact CG2-CD1 3.8Å; V669-F681 HydrophobicContact CG2-CE1 3.59Å; R677-F681 WeakPolarHBondContact O-CB 3.28Å; R677-F681 PolarHBondContact O-N 2.9Å; F681-F683 VanDerWaalsContact C-N 3.32Å; F681-F683 PolarHBondContact O-N 3Å; F681-L684 PolarHBondContact O-N 3.07Å; F681-N685 HydrophobicContact CD2-CB 4.48Å; F681-N685 VanDerWaalsContact O-CB 3.27Å; F681-N685 WeakPolarHBondContact O-CB 3.09Å; F681-N685 PolarHBondContact O-N 3.25Å
682	G	94.5	Very high	91.7	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-56.6	-43.7	175.5	0	0	0	0	0	113.3	A215 T678 T679 N685 A686	A215-G682 CarbonylContact C-O 3.24Å; A215-G682 WeakPolarHBondContact CB-O 3.41Å; A215-G682 CarbonylContact O-C 3.57Å; A215-G682 VanDerWaalsContact O-CA 3.25Å; A215-G682 WeakPolarHBondContact O-CA 3.48Å; T678-G682 PolarHBondContact O-N 2.88Å; T679-G682 PolarHBondContact O-N 3.5Å; G682-N685 PolarHBondContact O-N 2.85Å; G682-A686 WeakPolarHBondContact O-CB 3.22Å; G682-A686 PolarHBondContact O-N 3.21Å
683	F	94.8	Very high	91.9	Very high	30 Å²	30	11.1 Å²	11.1	13%	0.132	6%	0.057	C	C	.	.	H	α-helix	trans	-66	-46.6	175.5	172.5	-113.2	0	0	0	113.1	F216 F430 F434 M446 T679 A680 F681 N685 A686 L687	F216-F683 HydrophobicContact CD2-CD2 4.08Å; F216-F683 HydrophobicContact CE2-CD2 4.13Å; F430-F683 HydrophobicContact CD2-CB 4.42Å; F430-F683 HydrophobicContact CD2-CD2 4.24Å; F430-F683 HydrophobicContact CD2-CG 4.21Å; F430-F683 HydrophobicContact CE2-CB 4.25Å; F430-F683 AromaticContact CE2-CD1 3.96Å; F430-F683 HydrophobicContact CE2-CD1 3.96Å; F430-F683 AromaticContact CE2-CD2 3.37Å; F430-F683 HydrophobicContact CE2-CD2 3.37Å; F430-F683 HydrophobicContact CE2-CE1 4.11Å; F430-F683 AromaticContact CE2-CE2 3.54Å; F430-F683 HydrophobicContact CE2-CE2 3.54Å; F430-F683 AromaticContact CE2-CG 3.58Å; F430-F683 HydrophobicContact CE2-CG 3.58Å; F430-F683 AromaticContact CE2-CZ 3.91Å; F430-F683 HydrophobicContact CE2-CZ 3.91Å; F430-F683 HydrophobicContact CZ-CD2 4.1Å; F430-F683 AromaticContact CZ-CE2 3.82Å; F430-F683 HydrophobicContact CZ-CE2 3.82Å; F430-F683 HydrophobicContact CZ-CZ 4.12Å; F434-F683 HydrophobicContact CE2-CE1 4.28Å; F434-F683 AromaticContact CZ-CE1 3.68Å; F434-F683 HydrophobicContact CZ-CE1 3.68Å; F434-F683 AromaticContact CZ-CZ 3.95Å; F434-F683 HydrophobicContact CZ-CZ 3.95Å; M446-F683 HydrophobicContact CE-CE1 4Å; M446-F683 HydrophobicContact CE-CZ 3.9Å; M446-F683 HydrophobicContact CG-CE1 4.05Å; M446-F683 HydrophobicContact SD-CE1 3.8Å; M446-F683 HydrophobicContact SD-CZ 4.29Å; T679-F683 PolarHBondContact O-N 3.42Å; A680-F683 PolarHBondContact O-N 3.42Å; F681-F683 VanDerWaalsContact C-N 3.32Å; F681-F683 PolarHBondContact O-N 3Å; F683-N685 VanDerWaalsContact C-N 3.28Å; F683-N685 PolarHBondContact O-N 3.04Å; F683-A686 WeakPolarHBondContact O-CB 3.21Å; F683-A686 PolarHBondContact O-N 3.46Å; F683-A686 VanDerWaalsContact O-N 3.16Å; F683-L687 PolarHBondContact O-N 3.13Å
684	L	95.3	Very high	92.3	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-61.8	-38.3	177.1	-71.1	170.5	0	0	0	111.6	M445 M446 W449 T668 Y672 A680 F681 L687 C688	M445-L684 HydrophobicContact CB-CD1 3.89Å; M445-L684 HydrophobicContact CB-CD2 3.93Å; M445-L684 HydrophobicContact CE-CD1 4.37Å; M446-L684 HydrophobicContact CB-CD2 4.3Å; M446-L684 HydrophobicContact CG-CD2 3.67Å; W449-L684 HydrophobicContact CD2-CB 4.37Å; W449-L684 HydrophobicContact CG-CB 4.16Å; T668-L684 HydrophobicContact CG2-CD1 3.69Å; Y672-L684 HydrophobicContact CE2-CD1 3.94Å; A680-L684 WeakPolarHBondContact O-CB 3.38Å; A680-L684 VanDerWaalsContact O-CG 3.31Å; A680-L684 WeakPolarHBondContact O-CG 3.4Å; A680-L684 PolarHBondContact O-N 3.24Å; F681-L684 PolarHBondContact O-N 3.07Å; L684-L687 PolarHBondContact O-N 3.03Å; L684-C688 WeakPolarHBondContact O-CB 3.26Å; L684-C688 PolarHBondContact O-N 2.89Å
685	N	94.4	Very high	92.8	Very high	3 Å²	3	14.4 Å²	14.4	2%	0.016	7%	0.074	C	C	.	.	H	α-helix	trans	-68.7	-37.2	174.6	-169.4	34.9	0	0	0	111.7	A215 G266 F681 G682 F683 C688 K689	A215-N685 HydrophobicContact CB-CB 4.18Å; G266-N685 PolarHBondContact O-ND2 3.04Å; F681-N685 HydrophobicContact CD2-CB 4.48Å; F681-N685 VanDerWaalsContact O-CB 3.27Å; F681-N685 WeakPolarHBondContact O-CB 3.09Å; F681-N685 PolarHBondContact O-N 3.25Å; G682-N685 PolarHBondContact O-N 2.85Å; F683-N685 VanDerWaalsContact C-N 3.28Å; F683-N685 PolarHBondContact O-N 3.04Å; N685-C688 VanDerWaalsContact O-CB 3.23Å; N685-C688 WeakPolarHBondContact O-CB 3.43Å; N685-C688 PolarHBondContact O-N 3.05Å; N685-K689 WeakPolarHBondContact O-CG 3.41Å; N685-K689 PolarHBondContact O-N 3.38Å; N685-K689 WeakPolarHBondContact OD1-CE 3.37Å
686	A	95.5	Very high	93.4	Very high	8 Å²	8	13.5 Å²	13.5	7%	0.066	7%	0.07	C	C	.	.	H	α-helix	trans	-61.2	-45.3	172.2	0	0	0	0	0	111.4	M212 A215 F216 G682 F683 C688 K689 L690	M212-A686 HydrophobicContact CG-CB 4.25Å; M212-A686 WeakPolarHBondContact CG-O 3.13Å; M212-A686 VanDerWaalsContact O-CB 3.31Å; M212-A686 WeakPolarHBondContact O-CB 3.34Å; A215-A686 HydrophobicContact CB-CB 4.1Å; F216-A686 HydrophobicContact CB-CB 4.14Å; G682-A686 WeakPolarHBondContact O-CB 3.22Å; G682-A686 PolarHBondContact O-N 3.21Å; F683-A686 WeakPolarHBondContact O-CB 3.21Å; F683-A686 PolarHBondContact O-N 3.46Å; F683-A686 VanDerWaalsContact O-N 3.16Å; A686-C688 VanDerWaalsContact C-N 3.29Å; A686-C688 PolarHBondContact O-N 3.07Å; A686-K689 PolarHBondContact O-N 3.33Å; A686-L690 PolarHBondContact O-N 3.19Å
687	L	95.6	Very high	93.6	Very high	29 Å²	29	14.5 Å²	14.5	15%	0.152	8%	0.081	C	C	.	.	H	α-helix	trans	-61.2	-38.6	174.3	-176.9	68.1	0	0	0	111.8	M446 F450 F683 L684 L690 A691	M446-L687 HydrophobicContact CB-CD2 3.54Å; M446-L687 HydrophobicContact CE-CD2 4Å; M446-L687 HydrophobicContact CG-CD2 3.75Å; M446-L687 WeakPolarHBondContact O-CD2 3.41Å; F450-L687 HydrophobicContact CB-CD2 4.44Å; F450-L687 HydrophobicContact CD2-CD1 4.19Å; F450-L687 HydrophobicContact CD2-CG 4.38Å; F683-L687 PolarHBondContact O-N 3.13Å; L684-L687 PolarHBondContact O-N 3.03Å; L687-L690 HydrophobicContact CD1-CD2 4.41Å; L687-L690 WeakPolarHBondContact O-CB 3.27Å; L687-L690 PolarHBondContact O-N 3.03Å; L687-A691 WeakPolarHBondContact O-CB 3.38Å; L687-A691 PolarHBondContact O-N 3.45Å
688	C	94.9	Very high	93.7	Very high	1 Å²	1	17.8 Å²	17.8	1%	0.007	10%	0.098	C	C	.	.	H	α-helix	trans	-57.3	-48.9	172.6	176.6	0	0	0	0	111.4	W449 S453 L684 N685 A686 L690 A691 A692	W449-C688 HydrophobicContact CE3-CB 3.51Å; W449-C688 HydrophobicContact CZ3-CB 3.93Å; S453-C688 WeakPolarHBondContact CB-O 3.29Å; S453-C688 WeakPolarHBondContact CB-SG 3.46Å; S453-C688 PolarHBondContact OG-O 2.84Å; S453-C688 PolarHBondContact OG-SG 2.9Å; S453-C688 VanDerWaalsContact OG-SG 3.34Å; L684-C688 WeakPolarHBondContact O-CB 3.26Å; L684-C688 PolarHBondContact O-N 2.89Å; N685-C688 VanDerWaalsContact O-CB 3.23Å; N685-C688 WeakPolarHBondContact O-CB 3.43Å; N685-C688 PolarHBondContact O-N 3.05Å; A686-C688 VanDerWaalsContact C-N 3.29Å; A686-C688 PolarHBondContact O-N 3.07Å; C688-L690 VanDerWaalsContact C-N 3.34Å; C688-L690 PolarHBondContact O-N 3.08Å; C688-A691 WeakPolarHBondContact O-CB 3.47Å; C688-A691 PolarHBondContact O-N 3.11Å; C688-A692 PolarHBondContact O-N 3.27Å
689	K	94.3	Very high	93.6	Very high	1 Å²	1	17.8 Å²	17.8	0%	0.004	10%	0.098	C	C	.	.	H	α-helix	trans	-66.6	-35.1	179.1	-57.6	-53.3	171.1	-177.1	0	112.5	Y208 M211 M212 Y457 N685 A686 A692 V693	Y208-K689 HydrophobicContact CD1-CD 4.13Å; M211-K689 HydrophobicContact CB-CD 4.29Å; M211-K689 HydrophobicContact CB-CG 3.97Å; M211-K689 HydrophobicContact CE-CD 4.48Å; M211-K689 HydrophobicContact SD-CD 4.36Å; M212-K689 HydrophobicContact CB-CB 3.89Å; Y457-K689 PolarHBondContact OH-NZ 2.85Å; N685-K689 WeakPolarHBondContact O-CG 3.41Å; N685-K689 PolarHBondContact O-N 3.38Å; N685-K689 WeakPolarHBondContact OD1-CE 3.37Å; A686-K689 PolarHBondContact O-N 3.33Å; K689-A692 WeakPolarHBondContact O-CB 3.39Å; K689-A692 PolarHBondContact O-N 3.41Å; K689-V693 WeakPolarHBondContact O-CG2 3.45Å; K689-V693 PolarHBondContact O-N 3.09Å; K689-V693 VanDerWaalsContact O-N 3.08Å
690	L	95.1	Very high	93.3	Very high	69 Å²	69	19.9 Å²	19.9	36%	0.361	11%	0.111	S	C	.	.	H	α-helix	trans	-60.6	-46.9	171.3	-178.9	64.7	0	0	0	111.7	M212 A686 L687 C688 A692 V693 L694	M212-L690 HydrophobicContact SD-CB 3.83Å; M212-L690 HydrophobicContact SD-CD1 3.93Å; M212-L690 HydrophobicContact SD-CG 4.4Å; A686-L690 PolarHBondContact O-N 3.19Å; L687-L690 HydrophobicContact CD1-CD2 4.41Å; L687-L690 WeakPolarHBondContact O-CB 3.27Å; L687-L690 PolarHBondContact O-N 3.03Å; C688-L690 VanDerWaalsContact C-N 3.34Å; C688-L690 PolarHBondContact O-N 3.08Å; L690-A692 VanDerWaalsContact C-N 3.29Å; L690-A692 PolarHBondContact O-N 2.92Å; L690-V693 PolarHBondContact O-N 3.36Å; L690-L694 HydrophobicContact CG-CD1 4.32Å; L690-L694 WeakPolarHBondContact O-CG 3.29Å; L690-L694 PolarHBondContact O-N 3.08Å
691	A	95.4	Very high	93.1	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-61.7	-36.2	177.4	0	0	0	0	0	112.4	F450 F454 L687 C688 L694 G695	F450-A691 HydrophobicContact CB-CB 4.42Å; F450-A691 HydrophobicContact CD1-CB 4.5Å; F450-A691 HydrophobicContact CD2-CB 3.48Å; F450-A691 VanDerWaalsContact CD2-CB 3.48Å; F450-A691 HydrophobicContact CE2-CB 3.7Å; F450-A691 HydrophobicContact CG-CB 3.91Å; F450-A691 HydrophobicContact CZ-CB 4.3Å; F454-A691 HydrophobicContact CB-CB 4.36Å; L687-A691 WeakPolarHBondContact O-CB 3.38Å; L687-A691 PolarHBondContact O-N 3.45Å; C688-A691 WeakPolarHBondContact O-CB 3.47Å; C688-A691 PolarHBondContact O-N 3.11Å; A691-L694 PolarHBondContact O-N 3.46Å; A691-G695 PolarHBondContact O-N 3.24Å
692	A	93.1	Very high	92.8	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-63.8	-47	174.4	0	0	0	0	0	111.6	Y208 S453 Y457 C688 K689 L690 L694 G695 I696	Y208-A692 HydrophobicContact CD1-CB 4.26Å; Y208-A692 HydrophobicContact CE1-CB 4.46Å; S453-A692 PolarHBondContact OG-N 2.98Å; Y457-A692 HydrophobicContact CD2-CB 3.65Å; Y457-A692 HydrophobicContact CE2-CB 4.41Å; Y457-A692 HydrophobicContact CG-CB 3.82Å; C688-A692 PolarHBondContact O-N 3.27Å; K689-A692 WeakPolarHBondContact O-CB 3.39Å; K689-A692 PolarHBondContact O-N 3.41Å; L690-A692 VanDerWaalsContact C-N 3.29Å; L690-A692 PolarHBondContact O-N 2.92Å; A692-L694 VanDerWaalsContact C-N 3.33Å; A692-L694 PolarHBondContact O-N 2.86Å; A692-G695 PolarHBondContact O-N 3.43Å; A692-I696 WeakPolarHBondContact O-CB 3.34Å; A692-I696 WeakPolarHBondContact O-CD1 3.42Å; A692-I696 WeakPolarHBondContact O-CG1 3.35Å; A692-I696 PolarHBondContact O-N 2.75Å
693	V	93.1	Very high	92.3	Very high	18 Å²	18	27.7 Å²	27.7	11%	0.109	16%	0.157	C	C	.	.	H	α-helix	trans	-59.9	-43.9	177.1	171.7	0	0	0	0	111.2	L205 L209 K689 L690 S697	L205-V693 HydrophobicContact CD2-CG1 4.33Å; L205-V693 HydrophobicContact CD2-CG2 4.49Å; L209-V693 HydrophobicContact CD2-CG1 4.41Å; L209-V693 HydrophobicContact CD2-CG2 4.2Å; L209-V693 HydrophobicContact CG-CG2 4.33Å; K689-V693 WeakPolarHBondContact O-CG2 3.45Å; K689-V693 PolarHBondContact O-N 3.09Å; K689-V693 VanDerWaalsContact O-N 3.08Å; L690-V693 PolarHBondContact O-N 3.36Å; V693-S697 WeakPolarHBondContact O-CB 3.32Å; V693-S697 PolarHBondContact O-N 3.23Å; V693-S697 PolarHBondContact O-OG 3.31Å
694	L	93.4	Very high	91.6	Very high	72 Å²	72	27.6 Å²	27.6	38%	0.377	17%	0.165	S	C	.	.	H	α-helix	trans	-64.8	-45.6	176.1	-69.1	174.3	0	0	0	111.8	F450 L690 A691 A692 S697 I698	F450-L694 HydrophobicContact CE2-CD1 4.16Å; F450-L694 HydrophobicContact CZ-CD1 4.25Å; L690-L694 HydrophobicContact CG-CD1 4.32Å; L690-L694 WeakPolarHBondContact O-CG 3.29Å; L690-L694 PolarHBondContact O-N 3.08Å; A691-L694 PolarHBondContact O-N 3.46Å; A692-L694 VanDerWaalsContact C-N 3.33Å; A692-L694 PolarHBondContact O-N 2.86Å; L694-S697 PolarHBondContact O-N 2.95Å; L694-I698 WeakPolarHBondContact O-CB 3.42Å; L694-I698 VanDerWaalsContact O-CG1 3.24Å; L694-I698 WeakPolarHBondContact O-CG1 3.31Å; L694-I698 PolarHBondContact O-N 3.24Å
695	G	92.4	Very high	91.2	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-61.4	-47.7	179	0	0	0	0	0	112.3	F454 A691 A692 F699	F454-G695 VanDerWaalsContact CD2-CA 3.46Å; F454-G695 VanDerWaalsContact CE2-CA 3.49Å; A691-G695 PolarHBondContact O-N 3.24Å; A692-G695 PolarHBondContact O-N 3.43Å; G695-F699 VanDerWaalsContact O-CB 3.32Å; G695-F699 WeakPolarHBondContact O-CB 3.35Å; G695-F699 VanDerWaalsContact O-CG 3.29Å; G695-F699 WeakPolarHBondContact O-CG 3.47Å; G695-F699 PolarHBondContact O-N 2.93Å
696	I	90.4	Very high	90.8	Very high	14 Å²	14	36 Å²	36	7%	0.072	21%	0.211	C	C	.	.	H	α-helix	trans	-60.3	-49.3	176.5	-65.9	164.8	0	0	0	110	L205 Y208 V461 A692 I698 T700	L205-I696 HydrophobicContact CD2-CB 4.08Å; L205-I696 HydrophobicContact CD2-CD1 4.23Å; L205-I696 HydrophobicContact CD2-CG2 3.83Å; Y208-I696 HydrophobicContact CD2-CD1 4.41Å; Y208-I696 HydrophobicContact CE2-CD1 4.14Å; V461-I696 HydrophobicContact CB-CG1 4.19Å; V461-I696 HydrophobicContact CB-CG2 4.41Å; V461-I696 HydrophobicContact CG1-CG2 4Å; V461-I696 HydrophobicContact CG2-CD1 4.02Å; V461-I696 HydrophobicContact CG2-CG1 3.92Å; A692-I696 WeakPolarHBondContact O-CB 3.34Å; A692-I696 WeakPolarHBondContact O-CD1 3.42Å; A692-I696 WeakPolarHBondContact O-CG1 3.35Å; A692-I696 PolarHBondContact O-N 2.75Å; I696-I698 PolarHBondContact O-N 3.41Å; I696-T700 HydrophobicContact CG2-CG2 4.14Å; I696-T700 VanDerWaalsContact O-CB 3.27Å; I696-T700 WeakPolarHBondContact O-CB 3.38Å; I696-T700 WeakPolarHBondContact O-CG2 3.36Å; I696-T700 PolarHBondContact O-N 3.3Å; I696-T700 PolarHBondContact O-OG1 2.96Å
697	S	89.9	Confident	90.2	Very high	52 Å²	52	38.7 Å²	38.7	36%	0.364	22%	0.221	S	C	.	.	H	α-helix	trans	-64	-43.1	-177.2	-56.6	0	0	0	0	112.6	V693 L694 T700 S701	V693-S697 WeakPolarHBondContact O-CB 3.32Å; V693-S697 PolarHBondContact O-N 3.23Å; V693-S697 PolarHBondContact O-OG 3.31Å; L694-S697 PolarHBondContact O-N 2.95Å; S697-T700 PolarHBondContact O-OG1 3.11Å; S697-S701 PolarHBondContact O-N 2.8Å
698	I	91.9	Very high	89.8	Confident	69 Å²	69	39.4 Å²	39.4	35%	0.354	23%	0.231	S	C	.	.	H	α-helix	trans	-69.7	-48.8	-179.9	-67.3	170.9	0	0	0	109.9	F454 L694 I696 S701 F702	F454-I698 HydrophobicContact CE2-CD1 4.07Å; F454-I698 HydrophobicContact CZ-CD1 4.45Å; L694-I698 WeakPolarHBondContact O-CB 3.42Å; L694-I698 VanDerWaalsContact O-CG1 3.24Å; L694-I698 WeakPolarHBondContact O-CG1 3.31Å; L694-I698 PolarHBondContact O-N 3.24Å; I696-I698 PolarHBondContact O-N 3.41Å; I698-S701 PolarHBondContact O-N 2.9Å; I698-S701 PolarHBondContact O-OG 2.89Å; I698-F702 HydrophobicContact CG2-CD2 4.37Å; I698-F702 HydrophobicContact CG2-CE2 3.95Å; I698-F702 WeakPolarHBondContact O-CD2 3.31Å
699	F	91.2	Very high	89.6	Confident	1 Å²	1	41.5 Å²	41.5	0%	0.004	24%	0.244	C	C	.	.	H	α-helix	trans	-70.6	-39.3	-173.6	-66	1.2	0	0	0	112	F454 L459 W462 G695 S701 F702 P710 F713 A714	F454-F699 HydrophobicContact CD1-CZ 4.05Å; F454-F699 AromaticContact CE1-CE1 3.6Å; F454-F699 HydrophobicContact CE1-CE1 3.6Å; F454-F699 AromaticContact CE1-CZ 3.49Å; F454-F699 HydrophobicContact CE1-CZ 3.49Å; F454-F699 VanDerWaalsContact CE1-CZ 3.49Å; F454-F699 HydrophobicContact CE2-CE1 4.35Å; F454-F699 HydrophobicContact CZ-CD1 4.44Å; F454-F699 AromaticContact CZ-CE1 3.49Å; F454-F699 HydrophobicContact CZ-CE1 3.49Å; F454-F699 VanDerWaalsContact CZ-CE1 3.49Å; F454-F699 AromaticContact CZ-CZ 3.84Å; F454-F699 HydrophobicContact CZ-CZ 3.84Å; L459-F699 HydrophobicContact CD2-CD2 4.22Å; L459-F699 HydrophobicContact CD2-CE2 4.15Å; L459-F699 HydrophobicContact CG-CD2 4.4Å; L459-F699 HydrophobicContact CG-CE2 4.03Å; W462-F699 HydrophobicContact CB-CB 4Å; W462-F699 HydrophobicContact CG-CB 4.11Å; W462-F699 PolarHBondContact NE1-O 2.83Å; G695-F699 VanDerWaalsContact O-CB 3.32Å; G695-F699 WeakPolarHBondContact O-CB 3.35Å; G695-F699 VanDerWaalsContact O-CG 3.29Å; G695-F699 WeakPolarHBondContact O-CG 3.47Å; G695-F699 PolarHBondContact O-N 2.93Å; F699-S701 PolarHBondContact O-N 3.27Å; F699-F702 PolarHBondContact O-N 2.86Å; F699-P710 HydrophobicContact CB-CB 4.27Å; F699-P710 HydrophobicContact CD1-CB 4.08Å; F699-P710 HydrophobicContact CD2-CB 4.25Å; F699-P710 HydrophobicContact CG-CB 3.95Å; F699-F713 HydrophobicContact CE1-CB 4.11Å; F699-F713 HydrophobicContact CZ-CB 4.4Å; F699-A714 HydrophobicContact CE2-CB 4.05Å; F699-A714 HydrophobicContact CZ-CB 4.04Å
700	T	86.3	Confident	89.4	Confident	49 Å²	49	41.5 Å²	41.5	30%	0.301	24%	0.243	S	C	.	.	H	α-helix	trans	-60.2	-34	175.8	53.4	0	0	0	0	112.2	V461 I696 S697 F702 V703	V461-T700 HydrophobicContact CG1-CG2 4.27Å; I696-T700 HydrophobicContact CG2-CG2 4.14Å; I696-T700 VanDerWaalsContact O-CB 3.27Å; I696-T700 WeakPolarHBondContact O-CB 3.38Å; I696-T700 WeakPolarHBondContact O-CG2 3.36Å; I696-T700 PolarHBondContact O-N 3.3Å; I696-T700 PolarHBondContact O-OG1 2.96Å; S697-T700 PolarHBondContact O-OG1 3.11Å; T700-F702 PolarHBondContact O-N 3.27Å; T700-V703 WeakPolarHBondContact O-CB 3.46Å; T700-V703 WeakPolarHBondContact O-CG2 3.25Å; T700-V703 PolarHBondContact O-N 2.9Å; T700-V703 VanDerWaalsContact O-N 3.14Å
701	S	88.3	Confident	89.2	Confident	74 Å²	74	38.3 Å²	38.3	52%	0.517	23%	0.227	S	C	.	.	H	α-helix	trans	-63.9	-22.4	176.1	78.8	0	0	0	0	114.2	S697 I698 F699	S697-S701 PolarHBondContact O-N 2.8Å; I698-S701 PolarHBondContact O-N 2.9Å; I698-S701 PolarHBondContact O-OG 2.89Å; F699-S701 PolarHBondContact O-N 3.27Å
702	F	89	Confident	88.9	Confident	53 Å²	53	43.1 Å²	43.1	23%	0.232	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.9	-2.6	178.4	-74.2	-72.8	0	0	0	113.8	I698 F699 T700 G704 I705 T706 V709 P710	I698-F702 HydrophobicContact CG2-CD2 4.37Å; I698-F702 HydrophobicContact CG2-CE2 3.95Å; I698-F702 WeakPolarHBondContact O-CD2 3.31Å; F699-F702 PolarHBondContact O-N 2.86Å; T700-F702 PolarHBondContact O-N 3.27Å; F702-G704 PolarHBondContact O-N 2.64Å; F702-I705 PolarHBondContact O-N 3.46Å; F702-I705 VanDerWaalsContact O-N 3.08Å; F702-T706 PolarHBondContact O-N 2.47Å; F702-V709 HydrophobicContact CD1-CG1 4.35Å; F702-V709 HydrophobicContact CD2-CG1 4.43Å; F702-V709 HydrophobicContact CE1-CG1 4.03Å; F702-V709 HydrophobicContact CE2-CG1 4.12Å; F702-V709 HydrophobicContact CZ-CG1 3.91Å; F702-P710 HydrophobicContact CB-CG 3.67Å; F702-P710 HydrophobicContact CD2-CG 4.31Å; F702-P710 HydrophobicContact CG-CG 4.21Å
703	V	84.9	Confident	88.9	Confident	38 Å²	38	48.6 Å²	48.6	23%	0.23	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	124.3	175.5	177.9	0	0	0	0	108.9	D465 Y469 T700 I705	D465-V703 HydrophobicContact CB-CG2 4.1Å; Y469-V703 HydrophobicContact CD2-CG1 4.49Å; Y469-V703 HydrophobicContact CG-CG1 4.23Å; T700-V703 WeakPolarHBondContact O-CB 3.46Å; T700-V703 WeakPolarHBondContact O-CG2 3.25Å; T700-V703 PolarHBondContact O-N 2.9Å; T700-V703 VanDerWaalsContact O-N 3.14Å; V703-I705 VanDerWaalsContact C-N 3.31Å; V703-I705 PolarHBondContact O-N 3.45Å
704	G	79.8	Confident	88.8	Confident	29 Å²	29	47.7 Å²	47.7	30%	0.299	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	84	-9.8	-177.8	0	0	0	0	0	116.6	Y469 F702	Y469-G704 WeakPolarHBondContact OH-CA 3.43Å; Y469-G704 PolarHBondContact OH-O 3.29Å; F702-G704 PolarHBondContact O-N 2.64Å
705	I	86.4	Confident	88.8	Confident	123 Å²	123	44.9 Å²	44.9	63%	0.631	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.8	-63.2	174.4	-60.1	174	0	0	0	110	F702 V703	F702-I705 PolarHBondContact O-N 3.46Å; F702-I705 VanDerWaalsContact O-N 3.08Å; V703-I705 VanDerWaalsContact C-N 3.31Å; V703-I705 PolarHBondContact O-N 3.45Å
706	T	85.3	Confident	88.8	Confident	56 Å²	56	46.7 Å²	46.7	34%	0.344	28%	0.276	S	S	.	.			trans	-150.8	139.6	-178	54.4	0	0	0	0	112	F702 V709	F702-T706 PolarHBondContact O-N 2.47Å; T706-V709 WeakPolarHBondContact OG1-CG2 3.4Å
707	K	84.1	Confident	88.9	Confident	65 Å²	65	47.1 Å²	47.1	28%	0.283	28%	0.282	S	S	.	.	S	Bend	trans	-80.6	-32.1	172.5	-53.9	-177.6	-175	178.9	0	113.2	W462 M466 I711	W462-K707 HydrophobicContact CH2-CB 4.33Å; W462-K707 HydrophobicContact CZ2-CB 4.49Å; M466-K707 HydrophobicContact CE-CG 3.9Å; M466-K707 HydrophobicContact SD-CG 4.17Å; K707-I711 WeakPolarHBondContact O-CD1 3.43Å; K707-I711 VanDerWaalsContact O-CG1 3.31Å; K707-I711 WeakPolarHBondContact O-CG1 3.44Å
708	A	86.8	Confident	89	Confident	43 Å²	43	44.9 Å²	44.9	36%	0.355	27%	0.265	S	S	.	.	H	α-helix	trans	-70.3	-38.4	-171	0	0	0	0	0	113.5	I711 L712	A708-I711 PolarHBondContact O-N 2.84Å; A708-L712 WeakPolarHBondContact O-CB 3.35Å; A708-L712 VanDerWaalsContact O-CG 3.3Å; A708-L712 WeakPolarHBondContact O-CG 3.33Å; A708-L712 PolarHBondContact O-N 2.81Å
709	V	89.8	Confident	89.1	Confident	46 Å²	46	43.8 Å²	43.8	28%	0.279	27%	0.267	S	S	.	.	H	α-helix	trans	-63.5	-53	-172.9	173.8	0	0	0	0	112.3	F702 T706 I711 L712 F713	F702-V709 HydrophobicContact CD1-CG1 4.35Å; F702-V709 HydrophobicContact CD2-CG1 4.43Å; F702-V709 HydrophobicContact CE1-CG1 4.03Å; F702-V709 HydrophobicContact CE2-CG1 4.12Å; F702-V709 HydrophobicContact CZ-CG1 3.91Å; T706-V709 WeakPolarHBondContact OG1-CG2 3.4Å; V709-I711 VanDerWaalsContact C-N 3.29Å; V709-I711 PolarHBondContact O-N 3.23Å; V709-L712 PolarHBondContact O-N 2.82Å; V709-F713 HydrophobicContact CG1-CD2 3.59Å; V709-F713 HydrophobicContact CG1-CE2 3.6Å; V709-F713 WeakPolarHBondContact O-CD2 3.18Å; V709-F713 PolarHBondContact O-N 3.01Å
710	P	90.8	Very high	89.1	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-58.5	-39.8	176.3	-26.6	36.9	0	0	0	113.2	W462 F699 F702 F713 A714	W462-P710 HydrophobicContact CD2-CB 4.35Å; W462-P710 HydrophobicContact CZ2-CB 4.18Å; W462-P710 HydrophobicContact CZ2-CG 4.02Å; F699-P710 HydrophobicContact CB-CB 4.27Å; F699-P710 HydrophobicContact CD1-CB 4.08Å; F699-P710 HydrophobicContact CD2-CB 4.25Å; F699-P710 HydrophobicContact CG-CB 3.95Å; F702-P710 HydrophobicContact CB-CG 3.67Å; F702-P710 HydrophobicContact CD2-CG 4.31Å; F702-P710 HydrophobicContact CG-CG 4.21Å; P710-F713 PolarHBondContact O-N 3.12Å; P710-A714 VanDerWaalsContact O-CB 3.27Å; P710-A714 WeakPolarHBondContact O-CB 3.38Å; P710-A714 PolarHBondContact O-N 3.41Å
711	I	90.2	Very high	89.4	Confident	3 Å²	3	44 Å²	44	2%	0.015	27%	0.274	C	S	.	.	H	α-helix	trans	-66.8	-42.4	-179.1	-64.7	174.8	0	0	0	111.5	W462 C634 L637 K707 A708 V709 S715	W462-I711 HydrophobicContact CH2-CD1 3.94Å; W462-I711 HydrophobicContact CH2-CG1 3.92Å; W462-I711 HydrophobicContact CZ3-CD1 4.2Å; W462-I711 HydrophobicContact CZ3-CG1 4Å; C634-I711 WeakPolarHBondContact O-CG2 3.44Å; L637-I711 HydrophobicContact CB-CD1 4.18Å; K707-I711 WeakPolarHBondContact O-CD1 3.43Å; K707-I711 VanDerWaalsContact O-CG1 3.31Å; K707-I711 WeakPolarHBondContact O-CG1 3.44Å; A708-I711 PolarHBondContact O-N 2.84Å; V709-I711 VanDerWaalsContact C-N 3.29Å; V709-I711 PolarHBondContact O-N 3.23Å; I711-S715 WeakPolarHBondContact O-CB 3.42Å; I711-S715 PolarHBondContact O-N 3.44Å; I711-S715 PolarHBondContact O-OG 2.63Å
712	L	90.7	Very high	89.4	Confident	100 Å²	100	40.7 Å²	40.7	52%	0.524	25%	0.251	S	S	.	.	H	α-helix	trans	-70.3	-38.7	177.4	-71.3	174.8	0	0	0	112.1	A708 V709 S715 G716	A708-L712 WeakPolarHBondContact O-CB 3.35Å; A708-L712 VanDerWaalsContact O-CG 3.3Å; A708-L712 WeakPolarHBondContact O-CG 3.33Å; A708-L712 PolarHBondContact O-N 2.81Å; V709-L712 PolarHBondContact O-N 2.82Å; L712-S715 PolarHBondContact O-OG 2.84Å; L712-G716 PolarHBondContact O-N 3.2Å
713	F	92.3	Very high	89.6	Confident	115 Å²	115	44.1 Å²	44.1	50%	0.504	27%	0.266	S	S	.	.	H	α-helix	trans	-62	-46	172.9	-91.1	-63.1	0	0	0	111.4	F454 F699 V709 P710 A717	F454-F713 HydrophobicContact CE1-CB 4.4Å; F699-F713 HydrophobicContact CE1-CB 4.11Å; F699-F713 HydrophobicContact CZ-CB 4.4Å; V709-F713 HydrophobicContact CG1-CD2 3.59Å; V709-F713 HydrophobicContact CG1-CE2 3.6Å; V709-F713 WeakPolarHBondContact O-CD2 3.18Å; V709-F713 PolarHBondContact O-N 3.01Å; P710-F713 PolarHBondContact O-N 3.12Å; F713-A717 VanDerWaalsContact O-CB 3.25Å; F713-A717 WeakPolarHBondContact O-CB 3.49Å; F713-A717 PolarHBondContact O-N 3.16Å
714	A	92.1	Very high	89.8	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-66.1	-44.8	-179.5	0	0	0	0	0	112.4	S455 L459 F699 P710 L718	S455-A714 VanDerWaalsContact OG-CA 3.27Å; S455-A714 WeakPolarHBondContact OG-CA 3.42Å; S455-A714 PolarHBondContact OG-O 3.4Å; L459-A714 HydrophobicContact CD1-CB 3.51Å; L459-A714 HydrophobicContact CD2-CB 4.09Å; L459-A714 HydrophobicContact CG-CB 3.76Å; F699-A714 HydrophobicContact CE2-CB 4.05Å; F699-A714 HydrophobicContact CZ-CB 4.04Å; P710-A714 VanDerWaalsContact O-CB 3.27Å; P710-A714 WeakPolarHBondContact O-CB 3.38Å; P710-A714 PolarHBondContact O-N 3.41Å; A714-L718 WeakPolarHBondContact O-CB 3.17Å; A714-L718 VanDerWaalsContact O-CG 3.31Å; A714-L718 WeakPolarHBondContact O-CG 3.43Å; A714-L718 PolarHBondContact O-N 3.3Å
715	S	91.9	Very high	90.3	Very high	12 Å²	12	43.5 Å²	43.5	8%	0.084	25%	0.254	C	S	.	.	H	α-helix	trans	-67.5	-42.2	177.9	65.2	0	0	0	0	112.1	C631 I711 L712 A717 L718 A719	C631-S715 PolarHBondContact SG-O 2.78Å; I711-S715 WeakPolarHBondContact O-CB 3.42Å; I711-S715 PolarHBondContact O-N 3.44Å; I711-S715 PolarHBondContact O-OG 2.63Å; L712-S715 PolarHBondContact O-OG 2.84Å; S715-A717 PolarHBondContact O-N 3.4Å; S715-L718 PolarHBondContact O-N 3.39Å; S715-A719 WeakPolarHBondContact O-CB 3.26Å; S715-A719 PolarHBondContact O-N 2.94Å
716	G	92.3	Very high	90.3	Very high	39 Å²	39	42.6 Å²	42.6	40%	0.402	25%	0.25	S	C	.	.	H	α-helix	trans	-61.6	-43.2	175.1	0	0	0	0	0	112.8	L712 A719 A720	L712-G716 PolarHBondContact O-N 3.2Å; G716-A719 PolarHBondContact O-N 3.5Å; G716-A720 WeakPolarHBondContact O-CB 3.27Å; G716-A720 PolarHBondContact O-N 2.66Å
717	A	93.1	Very high	90.4	Very high	23 Å²	23	44.9 Å²	44.9	19%	0.19	26%	0.255	C	S	.	.	H	α-helix	trans	-62.7	-45.8	174.9	0	0	0	0	0	111.6	S451 F454 F713 S715 A719 A720 G721	S451-A717 WeakPolarHBondContact CB-O 3.32Å; F454-A717 HydrophobicContact CD1-CB 4.25Å; F713-A717 VanDerWaalsContact O-CB 3.25Å; F713-A717 WeakPolarHBondContact O-CB 3.49Å; F713-A717 PolarHBondContact O-N 3.16Å; S715-A717 PolarHBondContact O-N 3.4Å; A717-A719 PolarHBondContact O-N 3.33Å; A717-A720 PolarHBondContact O-N 3.33Å; A717-G721 PolarHBondContact O-N 3.33Å
718	L	92.8	Very high	90.5	Very high	5 Å²	5	42.1 Å²	42.1	3%	0.026	24%	0.243	C	C	.	.	H	α-helix	trans	-63.3	-39.6	177.1	-73.1	171.3	0	0	0	112.6	C631 F653 A714 S715 G721 S722	C631-L718 HydrophobicContact CB-CB 4.17Å; F653-L718 HydrophobicContact CE2-CD1 3.82Å; F653-L718 HydrophobicContact CZ-CD1 4.33Å; A714-L718 WeakPolarHBondContact O-CB 3.17Å; A714-L718 VanDerWaalsContact O-CG 3.31Å; A714-L718 WeakPolarHBondContact O-CG 3.43Å; A714-L718 PolarHBondContact O-N 3.3Å; S715-L718 PolarHBondContact O-N 3.39Å; L718-G721 PolarHBondContact O-N 3.46Å; L718-S722 VanDerWaalsContact O-CB 3.32Å; L718-S722 WeakPolarHBondContact O-CB 3.3Å; L718-S722 PolarHBondContact O-N 3.16Å
719	A	92.5	Very high	90.4	Very high	46 Å²	46	43.2 Å²	43.2	38%	0.38	25%	0.247	S	C	.	.	H	α-helix	trans	-63.7	-45.5	176.3	0	0	0	0	0	111.6	S715 G716 A717 S722 F723	S715-A719 WeakPolarHBondContact O-CB 3.26Å; S715-A719 PolarHBondContact O-N 2.94Å; G716-A719 PolarHBondContact O-N 3.5Å; A717-A719 PolarHBondContact O-N 3.33Å; A719-S722 PolarHBondContact O-N 2.84Å; A719-F723 PolarHBondContact O-N 3.36Å
720	A	92.4	Very high	89.8	Confident	52 Å²	52	43.8 Å²	43.8	43%	0.43	25%	0.247	S	C	.	.	H	α-helix	trans	-63.5	-45	176	0	0	0	0	0	111.8	G716 A717 F723 L724	G716-A720 WeakPolarHBondContact O-CB 3.27Å; G716-A720 PolarHBondContact O-N 2.66Å; A717-A720 PolarHBondContact O-N 3.33Å; A720-F723 PolarHBondContact O-N 2.85Å; A720-L724 WeakPolarHBondContact O-CG 3.38Å; A720-L724 PolarHBondContact O-N 3.15Å
721	G	91.2	Very high	89.2	Confident	3 Å²	3	43.9 Å²	43.9	3%	0.031	25%	0.247	C	C	.	.	H	α-helix	trans	-58.2	-47.2	174.9	0	0	0	0	0	112.2	S451 A717 L718 F723 L724 A725	S451-G721 VanDerWaalsContact OG-CA 3.28Å; S451-G721 WeakPolarHBondContact OG-CA 3.43Å; A717-G721 PolarHBondContact O-N 3.33Å; L718-G721 PolarHBondContact O-N 3.46Å; G721-F723 PolarHBondContact O-N 3.33Å; G721-L724 PolarHBondContact O-N 2.89Å; G721-A725 WeakPolarHBondContact O-CB 3.49Å; G721-A725 PolarHBondContact O-N 2.88Å
722	S	90	Very high	88.2	Confident	4 Å²	4	49.9 Å²	49.9	3%	0.028	27%	0.269	C	S	.	.	H	α-helix	trans	-64.6	-37.8	178.2	-173.2	0	0	0	0	113	A624 V628 L718 A719 L724 A725 L726	A624-S722 PolarHBondContact O-OG 3.36Å; A624-S722 VanDerWaalsContact O-OG 3.11Å; V628-S722 VanDerWaalsContact CG2-OG 3.32Å; V628-S722 WeakPolarHBondContact CG2-OG 3.32Å; L718-S722 VanDerWaalsContact O-CB 3.32Å; L718-S722 WeakPolarHBondContact O-CB 3.3Å; L718-S722 PolarHBondContact O-N 3.16Å; A719-S722 PolarHBondContact O-N 2.84Å; S722-L724 VanDerWaalsContact C-N 3.35Å; S722-A725 PolarHBondContact O-N 3.37Å; S722-L726 PolarHBondContact O-N 3.49Å
723	F	91.8	Very high	86.7	Confident	125 Å²	125	47.3 Å²	47.3	55%	0.548	27%	0.267	S	S	.	.	H	α-helix	trans	-66.2	-39.6	176.3	177.6	-102.7	0	0	0	111.7	A719 A720 G721	A719-F723 PolarHBondContact O-N 3.36Å; A720-F723 PolarHBondContact O-N 2.85Å; G721-F723 PolarHBondContact O-N 3.33Å
724	L	90.5	Very high	85.6	Confident	53 Å²	53	46.9 Å²	46.9	28%	0.277	27%	0.267	S	S	.	.	H	α-helix	trans	-68.2	-37.7	174.6	-70.4	171.8	0	0	0	111.9	A447 V448 A720 G721 S722 L726 K727	A447-L724 HydrophobicContact CB-CD1 3.56Å; V448-L724 HydrophobicContact CG2-CB 4.3Å; A720-L724 WeakPolarHBondContact O-CG 3.38Å; A720-L724 PolarHBondContact O-N 3.15Å; G721-L724 PolarHBondContact O-N 2.89Å; S722-L724 VanDerWaalsContact C-N 3.35Å; L724-L726 VanDerWaalsContact C-N 3.28Å; L724-L726 PolarHBondContact O-N 3.48Å; L724-K727 WeakPolarHBondContact O-CB 2.89Å; L724-K727 PolarHBondContact O-N 2.86Å
725	A	88.7	Confident	84.2	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-57.2	-41.4	177.1	0	0	0	0	0	111.5	V448 L620 L623 G721 S722 K727 L728	V448-A725 HydrophobicContact CG2-CB 4.06Å; L620-A725 WeakPolarHBondContact CD1-O 3.47Å; L623-A725 HydrophobicContact CD2-CB 3.99Å; L623-A725 HydrophobicContact CG-CB 4.26Å; G721-A725 WeakPolarHBondContact O-CB 3.49Å; G721-A725 PolarHBondContact O-N 2.88Å; S722-A725 PolarHBondContact O-N 3.37Å; A725-K727 PolarHBondContact O-N 2.85Å; A725-L728 WeakPolarHBondContact O-CB 3.25Å; A725-L728 PolarHBondContact O-N 3.06Å
726	L	87.5	Confident	82.8	Confident	104 Å²	104	49.2 Å²	49.2	55%	0.545	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-16.2	178.1	-69.6	172.9	0	0	0	114.7	A624 S722 L724	A624-L726 HydrophobicContact CB-CD2 3.53Å; A624-L726 HydrophobicContact CB-CG 3.88Å; S722-L726 PolarHBondContact O-N 3.49Å; L724-L726 VanDerWaalsContact C-N 3.28Å; L724-L726 PolarHBondContact O-N 3.48Å
727	K	87.6	Confident	80.7	Confident	104 Å²	104	52.8 Å²	52.8	45%	0.452	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.8	-4.7	178.3	-64	-173.2	177.3	-176.9	0	113.6	M444 L724 A725	M444-K727 HydrophobicContact CE-CB 3.99Å; M444-K727 HydrophobicContact CE-CD 4.34Å; M444-K727 HydrophobicContact SD-CB 4.06Å; L724-K727 WeakPolarHBondContact O-CB 2.89Å; L724-K727 PolarHBondContact O-N 2.86Å; A725-K727 PolarHBondContact O-N 2.85Å
728	L	86.8	Confident	80.1	Confident	8 Å²	8	54.3 Å²	54.3	4%	0.042	29%	0.291	C	S	.	.	S	Bend	trans	-78.2	152.4	174.9	-68.5	165.4	0	0	0	110.7	T441 M444 M445 L620 L667 A725	T441-L728 HydrophobicContact CG2-CD2 4.11Å; M444-L728 HydrophobicContact CB-CD2 3.64Å; M444-L728 HydrophobicContact CB-CG 4.25Å; M444-L728 HydrophobicContact SD-CD2 4.23Å; M445-L728 HydrophobicContact CG-CD1 4.46Å; M445-L728 HydrophobicContact CG-CD2 4.18Å; M445-L728 HydrophobicContact SD-CD1 3.49Å; M445-L728 WeakPolarHBondContact SD-CD1 3.22Å; M445-L728 HydrophobicContact SD-CD2 4.21Å; L620-L728 HydrophobicContact CD1-CB 3.73Å; L620-L728 WeakPolarHBondContact CD2-O 3.47Å; L667-L728 HydrophobicContact CD2-CD1 4.02Å; A725-L728 WeakPolarHBondContact O-CB 3.25Å; A725-L728 PolarHBondContact O-N 3.06Å
729	P	83.1	Confident	79.4	Confident	66 Å²	66	56.9 Å²	56.9	43%	0.429	31%	0.305	S	S	.	.	P	Polyproline II helix	trans	-70	143.9	175.5	29.4	-32.9	0	0	0	111.1	L671	L671-P729 HydrophobicContact CD2-CG 3.66Å
730	E	78.5	Confident	78.7	Confident	58 Å²	58	57.5 Å²	57.5	27%	0.271	30%	0.301	S	S	.	.	P	Polyproline II helix	trans	-78.1	126.2	172.6	180	71	-110.9	0	0	109.6	R619 L620 R732 Q734	R619-E730 PolarHBondContact N-OE1 2.99Å; L620-E730 WeakPolarHBondContact CB-OE2 3.11Å; L620-E730 PolarHBondContact N-OE1 3.38Å; L620-E730 PolarHBondContact N-OE2 3.23Å; E730-R732 HydrophobicContact CG-CB 3.94Å; E730-Q734 PolarHBondContact O-NE2 2.61Å
731	T	76.8	Confident	77.9	Confident	2 Å²	2	57.8 Å²	57.8	1%	0.012	29%	0.294	C	S	.	.			trans	-95.4	4.1	-176.2	53.6	0	0	0	0	113.2	L667 E670 L671 G733 Q734	L667-T731 HydrophobicContact CD1-CG2 3.76Å; E670-T731 HydrophobicContact CB-CG2 3.89Å; E670-T731 VanDerWaalsContact OE2-CB 3.23Å; E670-T731 WeakPolarHBondContact OE2-CB 3.39Å; E670-T731 PolarHBondContact OE2-OG1 2.82Å; L671-T731 HydrophobicContact CD2-CG2 3.86Å; L671-T731 HydrophobicContact CG-CG2 4.09Å; T731-G733 PolarHBondContact O-N 3.28Å; T731-Q734 PolarHBondContact O-N 3.15Å
732	R	68.9	Low	77.1	Confident	128 Å²	128	61.3 Å²	61.3	48%	0.483	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	119	-177.1	-178.3	175.4	173.2	-178.2	0.2	111.5	D615 K616 E730 Q734	D615-R732 PolarHBondContact O-NE 2.66Å; D615-R732 PolarHBondContact O-NH1 3.37Å; D615-R732 PolarHBondContact O-NH2 3.12Å; K616-R732 PolarHBondContact O-NH1 2.8Å; E730-R732 HydrophobicContact CG-CB 3.94Å; R732-Q734 VanDerWaalsContact C-N 3.35Å
733	G	59.8	Low	76.2	Confident	46 Å²	46	65.1 Å²	65.1	47%	0.474	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.1	27	177.9	0	0	0	0	0	113.4	Q282 T731	Q282-G733 VanDerWaalsContact CD-C 3.49Å; Q282-G733 VanDerWaalsContact NE2-CA 3.33Å; Q282-G733 PolarHBondContact NE2-O 2.86Å; T731-G733 PolarHBondContact O-N 3.28Å
734	Q	70.4	Confident	75.1	Confident	106 Å²	106	60.8 Å²	60.8	50%	0.495	31%	0.313	S	S	.	.	P	Polyproline II helix	trans	-103.3	139.6	172	-65.6	-174.2	-12	0	0	111.5	Q282 R285 E730 T731 R732	Q282-Q734 PolarHBondContact OE1-O 3.46Å; R285-Q734 PolarHBondContact NH2-O 3.39Å; E730-Q734 PolarHBondContact O-NE2 2.61Å; T731-Q734 PolarHBondContact O-N 3.15Å; R732-Q734 VanDerWaalsContact C-N 3.35Å
735	V	62.3	Low	73.9	Confident	57 Å²	57	61.4 Å²	61.4	35%	0.345	32%	0.316	S	S	.	.	P	Polyproline II helix	trans	-66.4	136.6	174.4	-176.4	0	0	0	0	108.1	A145 E149 Q282 Q737	A145-V735 HydrophobicContact CB-CG1 4.21Å; E149-V735 HydrophobicContact CB-CG1 4.27Å; Q282-V735 VanDerWaalsContact OE1-CA 3.27Å; V735-Q737 PolarHBondContact O-N 2.88Å
736	L	61.8	Low	72.7	Confident	5 Å²	5	66.5 Å²	66.5	3%	0.026	34%	0.342	C	S	.	.	P	Polyproline II helix	trans	-66.2	123.9	173.1	-69	170.7	0	0	0	108.3	A145 R355 E670	A145-L736 WeakPolarHBondContact CB-O 3.43Å; R355-L736 VanDerWaalsContact NH1-CB 3.34Å; R355-L736 PolarHBondContact NH1-O 3.34Å; R355-L736 PolarHBondContact NH2-O 2.83Å; E670-L736 HydrophobicContact CB-CD2 4.5Å; E670-L736 HydrophobicContact CG-CD2 4.44Å
737	Q	48.8	Very low	71.3	Confident	114 Å²	114	63.1 Å²	63.1	53%	0.533	32%	0.324	S	S	.	.			trans	-73.1	0	172.2	-67.4	-177.5	-14.1	0	0	112.2	R355 P673 S674 V735	R355-Q737 PolarHBondContact NH2-O 3.26Å; R355-Q737 PolarHBondContact NH2-OXT 3.1Å; R355-Q737 VanDerWaalsContact NH2-OXT 3.08Å; P673-Q737 CarbonylContact C-O 3.53Å; P673-Q737 WeakPolarHBondContact CA-O 3.41Å; P673-Q737 HydrophobicContact CB-CB 4.13Å; S674-Q737 PolarHBondContact N-O 2.82Å; S674-Q737 PolarHBondContact OG-O 2.45Å; S674-Q737 VanDerWaalsContact OG-O 3.04Å; V735-Q737 PolarHBondContact O-N 2.88Å

Retrieved 737 of 737 residues in 533.6 ms (Link to these results)

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