A0A3Q0KFG8_SCHMA Loading...

RING-type domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KFG8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 748 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	38.3	Very low	44.5	Very low	215 Å²	215	151.3 Å²	151.3	100%	1.059	75%	0.753	S	S	*	*				0	-56	0	-76.9	161.2	171.5	0	0	111.3	A3 W4	M1-A3 PolarHBondContact O-N 3.13Å; M1-W4 PolarHBondContact O-N 3Å
2	Q	38.3	Very low	45.1	Very low	201 Å²	201	146.1 Å²	146.1	94%	0.939	74%	0.739	S	S	*	*	T	Hydrogen-bonded Turn	trans	-49.4	-23.5	176.4	-72.2	168.2	-44.4	0	0	117	W4	Q2-W4 PolarHBondContact O-N 3.26Å
3	A	45.7	Very low	45.3	Very low	94 Å²	94	144 Å²	144	78%	0.777	73%	0.731	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.7	-1.5	176.3	0	0	0	0	0	114.8	M1	M1-A3 PolarHBondContact O-N 3.13Å
4	W	42.4	Very low	45.7	Very low	186 Å²	186	145.7 Å²	145.7	71%	0.705	73%	0.731	S	S	*	*	S	Bend	trans	-119.7	119.7	178.7	-64.3	48.4	0	0	0	107.6	M1 Q2 L6	M1-W4 PolarHBondContact O-N 3Å; Q2-W4 PolarHBondContact O-N 3.26Å; W4-L6 HydrophobicContact CB-CD1 3.56Å; W4-L6 HydrophobicContact CE3-CD1 4.37Å; W4-L6 HydrophobicContact CG-CD1 4.46Å; W4-L6 PolarHBondContact O-N 3.32Å
5	N	39.9	Very low	45.7	Very low	119 Å²	119	140.6 Å²	140.6	64%	0.636	72%	0.715	S	S	*	*			trans	-74.5	40.7	-173.8	-86	-85.4	0	0	0	114.1	E7 R8	N5-E7 PolarHBondContact O-N 2.89Å; N5-R8 PolarHBondContact O-N 3.42Å
6	L	46	Very low	46.4	Very low	109 Å²	109	135.9 Å²	135.9	57%	0.571	70%	0.695	S	S	*	*	G	3₁₀ helix	trans	-63	-21	176.8	-73.7	113.5	0	0	0	113.2	W4 R8 I9	W4-L6 HydrophobicContact CB-CD1 3.56Å; W4-L6 HydrophobicContact CE3-CD1 4.37Å; W4-L6 HydrophobicContact CG-CD1 4.46Å; W4-L6 PolarHBondContact O-N 3.32Å; L6-R8 PolarHBondContact O-N 3.47Å; L6-I9 HydrophobicContact CB-CD1 4.33Å; L6-I9 HydrophobicContact CD2-CD1 4.04Å; L6-I9 HydrophobicContact CG-CD1 4.19Å; L6-I9 PolarHBondContact O-N 3.06Å; L6-I9 VanDerWaalsContact O-N 3.07Å
7	E	45.9	Very low	46.9	Very low	201 Å²	201	136.5 Å²	136.5	94%	0.939	69%	0.688	S	S	*	*	G	3₁₀ helix	trans	-63.1	-4.1	176.7	-161.3	163.8	-131.1	0	0	113.8	N5	N5-E7 PolarHBondContact O-N 2.89Å
8	R	46.5	Very low	47.3	Very low	204 Å²	204	132 Å²	132	77%	0.77	67%	0.669	S	S	*	*	G	3₁₀ helix	trans	-112.2	9.9	176	-141.1	178.7	-57.3	-157.1	3.1	114.3	N5 L6	N5-R8 PolarHBondContact O-N 3.42Å; L6-R8 PolarHBondContact O-N 3.47Å
9	I	45.8	Very low	47.8	Very low	70 Å²	70	129.1 Å²	129.1	36%	0.359	66%	0.658	S	S	.	*	S	Bend	trans	-90	118.7	173.4	-62.9	170.3	0	0	0	108.1	L6 L11 W53	L6-I9 HydrophobicContact CB-CD1 4.33Å; L6-I9 HydrophobicContact CD2-CD1 4.04Å; L6-I9 HydrophobicContact CG-CD1 4.19Å; L6-I9 PolarHBondContact O-N 3.06Å; L6-I9 VanDerWaalsContact O-N 3.07Å; I9-L11 PolarHBondContact O-N 3.3Å; I9-L11 VanDerWaalsContact O-N 3.07Å; I9-W53 HydrophobicContact CD1-CH2 4.42Å; I9-W53 HydrophobicContact CG2-CH2 3.48Å; I9-W53 VanDerWaalsContact CG2-CH2 3.48Å; I9-W53 HydrophobicContact CG2-CZ2 4.12Å; I9-W53 HydrophobicContact CG2-CZ3 4.07Å
10	P	51.1	Low	48.2	Very low	115 Å²	115	129.8 Å²	129.8	75%	0.747	65%	0.653	S	S	*	*			trans	-68.6	108.4	173	28.4	-32.3	0	0	0	108.9
11	L	49.2	Very low	48.7	Very low	150 Å²	150	126.6 Å²	126.6	79%	0.785	64%	0.64	S	S	*	*	P	Polyproline II helix	trans	-58.6	130.8	170.3	-69.7	171.3	0	0	0	108.7	I9 N13	I9-L11 PolarHBondContact O-N 3.3Å; I9-L11 VanDerWaalsContact O-N 3.07Å; L11-N13 PolarHBondContact O-N 3.01Å
12	P	52.1	Low	49.5	Very low	89 Å²	89	118.9 Å²	118.9	58%	0.578	61%	0.606	S	S	*	*	P	Polyproline II helix	trans	-61.8	124	171.4	25.9	-32.4	0	0	0	108.5
13	N	47.6	Very low	50.2	Low	119 Å²	119	115.4 Å²	115.4	64%	0.636	59%	0.591	S	S	*	*	P	Polyproline II helix	trans	-54.3	148.2	176.5	-77.1	-30	0	0	0	110.2	L11 S15 T16	L11-N13 PolarHBondContact O-N 3.01Å; N13-S15 VanDerWaalsContact CB-OG 3.31Å; N13-S15 WeakPolarHBondContact CB-OG 3.36Å; N13-S15 PolarHBondContact O-N 2.85Å; N13-T16 WeakPolarHBondContact O-CB 3.15Å; N13-T16 PolarHBondContact O-N 2.83Å; N13-T16 PolarHBondContact O-OG1 2.87Å
14	F	51.4	Low	50.5	Low	168 Å²	168	115.4 Å²	115.4	74%	0.737	58%	0.581	S	S	*	*	H	α-helix	trans	-53.5	-30.1	177.2	-173.8	-104.5	0	0	0	112.4	T16 Y17 V18	F14-T16 VanDerWaalsContact C-N 3.3Å; F14-T16 PolarHBondContact O-N 3.34Å; F14-Y17 PolarHBondContact O-N 3.13Å; F14-V18 HydrophobicContact CD1-CG2 3.73Å; F14-V18 HydrophobicContact CE1-CG2 3.44Å; F14-V18 VanDerWaalsContact CE1-CG2 3.44Å; F14-V18 HydrophobicContact CG-CG2 4.47Å; F14-V18 HydrophobicContact CZ-CG2 3.98Å; F14-V18 WeakPolarHBondContact O-CG2 3.34Å; F14-V18 PolarHBondContact O-N 2.92Å
15	S	46.2	Very low	50.9	Low	69 Å²	69	114.6 Å²	114.6	48%	0.483	58%	0.582	S	S	.	*	H	α-helix	trans	-54.6	-38.6	170.9	56.5	0	0	0	0	113.9	N13 V18 V19	N13-S15 VanDerWaalsContact CB-OG 3.31Å; N13-S15 WeakPolarHBondContact CB-OG 3.36Å; N13-S15 PolarHBondContact O-N 2.85Å; S15-V18 PolarHBondContact O-N 3Å; S15-V19 WeakPolarHBondContact O-CB 3.44Å; S15-V19 WeakPolarHBondContact O-CG2 3.5Å; S15-V19 PolarHBondContact O-N 3.37Å
16	T	56.2	Low	51.2	Low	66 Å²	66	114.6 Å²	114.6	41%	0.405	58%	0.582	S	S	.	*	H	α-helix	trans	-66.9	-41.1	179.4	-47.6	0	0	0	0	110.9	N13 F14 Y20	N13-T16 WeakPolarHBondContact O-CB 3.15Å; N13-T16 PolarHBondContact O-N 2.83Å; N13-T16 PolarHBondContact O-OG1 2.87Å; F14-T16 VanDerWaalsContact C-N 3.3Å; F14-T16 PolarHBondContact O-N 3.34Å; T16-Y20 HydrophobicContact CG2-CD2 4.49Å; T16-Y20 PolarHBondContact O-N 3.43Å; T16-Y20 VanDerWaalsContact O-N 3.09Å
17	Y	55.4	Low	51.1	Low	145 Å²	145	113.3 Å²	113.3	57%	0.569	59%	0.588	S	S	*	*	H	α-helix	trans	-67.5	-41.2	176.7	-150.8	-87	0	0	0	111.4	F14 T21	F14-Y17 PolarHBondContact O-N 3.13Å; Y17-T21 WeakPolarHBondContact O-CG2 3.46Å; Y17-T21 PolarHBondContact O-N 3.42Å; Y17-T21 VanDerWaalsContact O-N 3.16Å; Y17-T21 PolarHBondContact O-OG1 3.36Å; Y17-T21 VanDerWaalsContact O-OG1 3.12Å
18	V	54.4	Low	50.8	Low	56 Å²	56	112.1 Å²	112.1	34%	0.339	58%	0.579	S	S	.	*	H	α-helix	trans	-63.1	-50.5	174.2	172.5	0	0	0	0	111.1	F14 S15 Y20 T21 T22	F14-V18 HydrophobicContact CD1-CG2 3.73Å; F14-V18 HydrophobicContact CE1-CG2 3.44Å; F14-V18 VanDerWaalsContact CE1-CG2 3.44Å; F14-V18 HydrophobicContact CG-CG2 4.47Å; F14-V18 HydrophobicContact CZ-CG2 3.98Å; F14-V18 WeakPolarHBondContact O-CG2 3.34Å; F14-V18 PolarHBondContact O-N 2.92Å; S15-V18 PolarHBondContact O-N 3Å; V18-Y20 VanDerWaalsContact C-N 3.33Å; V18-Y20 PolarHBondContact O-N 2.99Å; V18-T21 WeakPolarHBondContact CA-OG1 3.47Å; V18-T21 CarbonylContact O-C 3.4Å; V18-T21 WeakPolarHBondContact O-CA 3.42Å; V18-T21 PolarHBondContact O-N 3.34Å; V18-T21 PolarHBondContact O-OG1 3.19Å; V18-T22 HydrophobicContact CG1-CG2 4.34Å; V18-T22 PolarHBondContact O-N 3.08Å; V18-T22 PolarHBondContact O-OG1 3.48Å
19	V	56.4	Low	50.6	Low	77 Å²	77	107.9 Å²	107.9	47%	0.467	58%	0.578	S	S	.	*	H	α-helix	trans	-58.9	-41.4	-179.1	166.4	0	0	0	0	111.8	S15 T21 T22 M23	S15-V19 WeakPolarHBondContact O-CB 3.44Å; S15-V19 WeakPolarHBondContact O-CG2 3.5Å; S15-V19 PolarHBondContact O-N 3.37Å; V19-T21 PolarHBondContact O-N 3.4Å; V19-T22 PolarHBondContact O-N 3.49Å; V19-T22 PolarHBondContact O-OG1 3.23Å; V19-T22 VanDerWaalsContact O-OG1 3.07Å; V19-M23 HydrophobicContact CG1-CG 4.08Å; V19-M23 VanDerWaalsContact O-CB 3.3Å; V19-M23 WeakPolarHBondContact O-CB 3.48Å; V19-M23 WeakPolarHBondContact O-CG 3.15Å; V19-M23 PolarHBondContact O-N 3.45Å
20	Y	54.9	Low	50.2	Low	142 Å²	142	113.8 Å²	113.8	56%	0.557	60%	0.604	S	S	*	*	H	α-helix	trans	-63.8	-39.5	173.2	-96.3	-95.3	0	0	0	112.3	T16 V18 T22 T24	T16-Y20 HydrophobicContact CG2-CD2 4.49Å; T16-Y20 PolarHBondContact O-N 3.43Å; T16-Y20 VanDerWaalsContact O-N 3.09Å; V18-Y20 VanDerWaalsContact C-N 3.33Å; V18-Y20 PolarHBondContact O-N 2.99Å; Y20-T22 PolarHBondContact O-N 3.5Å; Y20-T24 WeakPolarHBondContact O-CG2 3.22Å; Y20-T24 PolarHBondContact O-N 2.82Å; Y20-T24 PolarHBondContact O-OG1 3.48Å; Y20-T24 VanDerWaalsContact O-OG1 3.07Å
21	T	58.5	Low	49.8	Very low	63 Å²	63	111.4 Å²	111.4	39%	0.387	60%	0.601	S	S	.	*	H	α-helix	trans	-76.2	-14	177.7	57.8	0	0	0	0	115.5	Y17 V18 V19 T24 K25	Y17-T21 WeakPolarHBondContact O-CG2 3.46Å; Y17-T21 PolarHBondContact O-N 3.42Å; Y17-T21 VanDerWaalsContact O-N 3.16Å; Y17-T21 PolarHBondContact O-OG1 3.36Å; Y17-T21 VanDerWaalsContact O-OG1 3.12Å; V18-T21 WeakPolarHBondContact CA-OG1 3.47Å; V18-T21 CarbonylContact O-C 3.4Å; V18-T21 WeakPolarHBondContact O-CA 3.42Å; V18-T21 PolarHBondContact O-N 3.34Å; V18-T21 PolarHBondContact O-OG1 3.19Å; V19-T21 PolarHBondContact O-N 3.4Å; T21-T24 PolarHBondContact O-OG1 3.12Å; T21-K25 WeakPolarHBondContact O-CG 3.47Å
22	T	55.7	Low	49	Very low	54 Å²	54	111.9 Å²	111.9	33%	0.331	61%	0.61	S	S	.	*	H	α-helix	trans	-90.1	-42	167.8	57.5	0	0	0	0	111.6	V18 V19 Y20 T24 K25 D26	V18-T22 HydrophobicContact CG1-CG2 4.34Å; V18-T22 PolarHBondContact O-N 3.08Å; V18-T22 PolarHBondContact O-OG1 3.48Å; V19-T22 PolarHBondContact O-N 3.49Å; V19-T22 PolarHBondContact O-OG1 3.23Å; V19-T22 VanDerWaalsContact O-OG1 3.07Å; Y20-T22 PolarHBondContact O-N 3.5Å; T22-T24 PolarHBondContact O-N 3.23Å; T22-T24 VanDerWaalsContact O-N 3.16Å; T22-K25 WeakPolarHBondContact O-CA 3.37Å; T22-K25 PolarHBondContact O-N 3.39Å; T22-D26 PolarHBondContact O-N 3.43Å
23	M	52.1	Low	48.4	Very low	127 Å²	127	110.6 Å²	110.6	63%	0.626	61%	0.613	S	S	*	*	H	α-helix	trans	-52.6	-37.1	172.5	-72.2	-89.3	99.9	0	0	112.3	V19 K25	V19-M23 HydrophobicContact CG1-CG 4.08Å; V19-M23 VanDerWaalsContact O-CB 3.3Å; V19-M23 WeakPolarHBondContact O-CB 3.48Å; V19-M23 WeakPolarHBondContact O-CG 3.15Å; V19-M23 PolarHBondContact O-N 3.45Å; M23-K25 VanDerWaalsContact C-N 3.28Å; M23-K25 PolarHBondContact O-N 3.49Å
24	T	53.7	Low	47.6	Very low	94 Å²	94	112.2 Å²	112.2	58%	0.577	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.3	-2.4	175.5	51.9	0	0	0	0	115.4	Y20 T21 T22	Y20-T24 WeakPolarHBondContact O-CG2 3.22Å; Y20-T24 PolarHBondContact O-N 2.82Å; Y20-T24 PolarHBondContact O-OG1 3.48Å; Y20-T24 VanDerWaalsContact O-OG1 3.07Å; T21-T24 PolarHBondContact O-OG1 3.12Å; T22-T24 PolarHBondContact O-N 3.23Å; T22-T24 VanDerWaalsContact O-N 3.16Å
25	K	49.5	Very low	46.9	Very low	169 Å²	169	110 Å²	110	74%	0.735	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115.3	-36.2	179.1	-72	-179.3	178.8	177.3	0	113.2	T21 T22 M23 A27	T21-K25 WeakPolarHBondContact O-CG 3.47Å; T22-K25 WeakPolarHBondContact O-CA 3.37Å; T22-K25 PolarHBondContact O-N 3.39Å; M23-K25 VanDerWaalsContact C-N 3.28Å; M23-K25 PolarHBondContact O-N 3.49Å; K25-A27 VanDerWaalsContact C-N 3.34Å
26	D	47.6	Very low	46.8	Very low	119 Å²	119	111.2 Å²	111.2	64%	0.636	63%	0.632	S	S	*	*	S	Bend	trans	-90.4	3.9	-172.7	-58.6	-42.6	0	0	0	113.5	T22 K28	T22-D26 PolarHBondContact O-N 3.43Å; D26-K28 PolarHBondContact O-N 3.13Å
27	A	42.7	Very low	46.2	Very low	82 Å²	82	113.1 Å²	113.1	68%	0.678	65%	0.648	S	S	*	*			trans	-72.1	62	177.2	0	0	0	0	0	113.2	K25	K25-A27 VanDerWaalsContact C-N 3.34Å
28	K	39.9	Very low	45.8	Very low	177 Å²	177	113.4 Å²	113.4	77%	0.77	66%	0.658	S	S	*	*			trans	-91.5	117.3	177	-166.5	-176.4	-177.3	-168.1	0	109.8	D26 E30	D26-K28 PolarHBondContact O-N 3.13Å; K28-E30 PolarHBondContact O-N 2.98Å
29	P	42.6	Very low	45.9	Very low	114 Å²	114	115.3 Å²	115.3	74%	0.74	67%	0.667	S	S	*	*			trans	-82	102.2	-170.6	30.9	-34.6	0	0	0	112.7
30	E	37.6	Very low	45.5	Very low	194 Å²	194	119.3 Å²	119.3	91%	0.907	67%	0.674	S	S	*	*			trans	-87.5	98.6	157.5	-69.4	-169.6	170.5	0	0	108.9	K28	K28-E30 PolarHBondContact O-N 2.98Å
31	G	42	Very low	45.6	Very low	66 Å²	66	117.1 Å²	117.1	68%	0.68	68%	0.678	S	S	*	*			trans	174.4	110	-179.1	0	0	0	0	0	112	G33	G31-G33 PolarHBondContact O-N 2.94Å; G31-G33 VanDerWaalsContact O-N 3.17Å
32	T	33	Very low	45.6	Very low	159 Å²	159	117.6 Å²	117.6	98%	0.975	68%	0.68	S	S	*	*			trans	-70.8	105.3	178.5	47.4	0	0	0	0	111.2
33	G	38.7	Very low	45.4	Very low	62 Å²	62	120 Å²	120	64%	0.639	69%	0.689	S	S	*	*			trans	-162.5	131.3	175.2	0	0	0	0	0	111.5	G31	G31-G33 PolarHBondContact O-N 2.94Å; G31-G33 VanDerWaalsContact O-N 3.17Å
34	N	31.2	Very low	45.8	Very low	153 Å²	153	116 Å²	116	82%	0.818	68%	0.676	S	S	*	*	S	Bend	trans	-76.7	149.3	-173.9	-70.1	-32.3	0	0	0	112.8
35	S	36.4	Very low	46.3	Very low	122 Å²	122	115.9 Å²	115.9	85%	0.853	67%	0.672	S	S	*	*	S	Bend	trans	62.7	52	158.2	54.3	0	0	0	0	119.1
36	T	44.1	Very low	47	Very low	95 Å²	95	110.6 Å²	110.6	58%	0.583	65%	0.654	S	S	*	*			trans	-146.8	8.9	169.8	0.4	0	0	0	0	117.3	L38	T36-L38 PolarHBondContact O-N 3.18Å
37	S	43.7	Very low	47.6	Very low	105 Å²	105	108.7 Å²	108.7	73%	0.734	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.9	-14.2	-167.6	52	0	0	0	0	117.1
38	L	46.9	Very low	48.7	Very low	151 Å²	151	105.9 Å²	105.9	79%	0.791	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.4	-10.7	-169.8	-157.3	63.9	0	0	0	114.9	T36	T36-L38 PolarHBondContact O-N 3.18Å
39	N	56.7	Low	50.1	Low	97 Å²	97	101.5 Å²	101.5	52%	0.519	61%	0.608	S	S	.	*	S	Bend	trans	-95.9	-10	-170.4	-72.3	-8.4	0	0	0	115.4	T42 M43	N39-T42 WeakPolarHBondContact CA-OG1 3.2Å; N39-T42 PolarHBondContact O-N 2.63Å; N39-T42 PolarHBondContact O-OG1 2.91Å; N39-M43 HydrophobicContact CB-CG 4.43Å; N39-M43 WeakPolarHBondContact O-CB 3.4Å; N39-M43 VanDerWaalsContact O-CG 3.25Å; N39-M43 WeakPolarHBondContact O-CG 3.31Å; N39-M43 PolarHBondContact O-N 3.31Å
40	Y	47.4	Very low	51.5	Low	160 Å²	160	103.4 Å²	103.4	63%	0.627	61%	0.607	S	S	*	*	H	α-helix	trans	-59.2	-47.7	-175.6	-71	-79.4	0	0	0	115.3	T42 M43 A44	Y40-T42 VanDerWaalsContact C-N 3.34Å; Y40-T42 PolarHBondContact O-N 3.22Å; Y40-M43 PolarHBondContact O-N 3.36Å; Y40-A44 WeakPolarHBondContact O-CB 3.49Å; Y40-A44 PolarHBondContact O-N 2.87Å
41	P	57.4	Low	53.6	Low	96 Å²	96	97.6 Å²	97.6	62%	0.623	58%	0.583	S	S	*	*	H	α-helix	trans	-70.1	-30.5	179.6	27.7	-34.4	0	0	0	112.6	L45	P41-L45 WeakPolarHBondContact O-CB 3.4Å; P41-L45 PolarHBondContact O-N 2.95Å
42	T	58.7	Low	55.4	Low	73 Å²	73	98 Å²	98	45%	0.448	58%	0.575	S	S	.	*	H	α-helix	trans	-70.3	-41.1	174.5	18.9	0	0	0	0	111.9	N39 Y40 L45 T46	N39-T42 WeakPolarHBondContact CA-OG1 3.2Å; N39-T42 PolarHBondContact O-N 2.63Å; N39-T42 PolarHBondContact O-OG1 2.91Å; Y40-T42 VanDerWaalsContact C-N 3.34Å; Y40-T42 PolarHBondContact O-N 3.22Å; T42-L45 PolarHBondContact O-N 3.19Å; T42-T46 PolarHBondContact O-N 2.85Å; T42-T46 PolarHBondContact O-OG1 2.63Å
43	M	52.5	Low	57.5	Low	105 Å²	105	97.6 Å²	97.6	52%	0.517	56%	0.556	S	S	.	*	H	α-helix	trans	-67.3	-40.3	174.2	-67.1	-71	92.7	0	0	112.4	N39 Y40 L45 T46 C47	N39-M43 HydrophobicContact CB-CG 4.43Å; N39-M43 WeakPolarHBondContact O-CB 3.4Å; N39-M43 VanDerWaalsContact O-CG 3.25Å; N39-M43 WeakPolarHBondContact O-CG 3.31Å; N39-M43 PolarHBondContact O-N 3.31Å; Y40-M43 PolarHBondContact O-N 3.36Å; M43-L45 VanDerWaalsContact C-N 3.29Å; M43-L45 PolarHBondContact O-N 3.45Å; M43-T46 WeakPolarHBondContact CA-OG1 3.34Å; M43-T46 HydrophobicContact CE-CG2 4.5Å; M43-T46 PolarHBondContact O-N 2.92Å; M43-T46 PolarHBondContact O-OG1 2.94Å; M43-C47 PolarHBondContact O-N 3.44Å; M43-C47 VanDerWaalsContact O-N 3.09Å; M43-C47 PolarHBondContact O-SG 2.9Å
44	A	59.1	Low	59.5	Low	42 Å²	42	96.3 Å²	96.3	35%	0.347	54%	0.536	S	S	.	.	H	α-helix	trans	-60.7	-40.5	172.4	0	0	0	0	0	111.6	Y40 C48	Y40-A44 WeakPolarHBondContact O-CB 3.49Å; Y40-A44 PolarHBondContact O-N 2.87Å; A44-C48 WeakPolarHBondContact O-CB 3.2Å; A44-C48 PolarHBondContact O-N 3.06Å; A44-C48 PolarHBondContact O-SG 3.16Å
45	L	64.1	Low	61.7	Low	92 Å²	92	90.2 Å²	90.2	48%	0.482	50%	0.503	S	S	.	.	H	α-helix	trans	-67.3	-41.4	176.6	-175.4	63	0	0	0	112.5	P41 T42 M43 C48 L49	P41-L45 WeakPolarHBondContact O-CB 3.4Å; P41-L45 PolarHBondContact O-N 2.95Å; T42-L45 PolarHBondContact O-N 3.19Å; M43-L45 VanDerWaalsContact C-N 3.29Å; M43-L45 PolarHBondContact O-N 3.45Å; L45-C48 PolarHBondContact O-N 3.48Å; L45-L49 HydrophobicContact CD1-CD1 4.48Å; L45-L49 HydrophobicContact CG-CD1 4.16Å; L45-L49 VanDerWaalsContact O-CG 3.32Å; L45-L49 WeakPolarHBondContact O-CG 3.45Å; L45-L49 PolarHBondContact O-N 2.99Å
46	T	65	Low	63.9	Low	59 Å²	59	91.5 Å²	91.5	36%	0.362	49%	0.489	S	S	.	.	H	α-helix	trans	-63.9	-45.6	177.1	48.3	0	0	0	0	111.7	T42 M43 C48 L49 E50	T42-T46 PolarHBondContact O-N 2.85Å; T42-T46 PolarHBondContact O-OG1 2.63Å; M43-T46 WeakPolarHBondContact CA-OG1 3.34Å; M43-T46 HydrophobicContact CE-CG2 4.5Å; M43-T46 PolarHBondContact O-N 2.92Å; M43-T46 PolarHBondContact O-OG1 2.94Å; T46-C48 VanDerWaalsContact C-N 3.26Å; T46-C48 PolarHBondContact O-N 2.81Å; T46-L49 PolarHBondContact O-N 3.29Å; T46-E50 PolarHBondContact O-N 2.89Å
47	C	60.3	Low	66	Low	78 Å²	78	89.6 Å²	89.6	53%	0.527	48%	0.479	S	S	.	.	H	α-helix	trans	-62.1	-34	175.5	-61.4	0	0	0	0	112.3	M43 L49 E50 D51	M43-C47 PolarHBondContact O-N 3.44Å; M43-C47 VanDerWaalsContact O-N 3.09Å; M43-C47 PolarHBondContact O-SG 2.9Å; C47-L49 VanDerWaalsContact C-N 3.29Å; C47-L49 PolarHBondContact O-N 3.43Å; C47-E50 PolarHBondContact O-N 3.36Å; C47-D51 PolarHBondContact O-N 3.17Å
48	C	65.5	Low	67.9	Low	23 Å²	23	88.4 Å²	88.4	16%	0.155	47%	0.465	C	S	.	.	H	α-helix	trans	-72.8	-15.8	173.6	-71.6	0	0	0	0	114.4	A44 L45 T46 C54 F55 L58	A44-C48 WeakPolarHBondContact O-CB 3.2Å; A44-C48 PolarHBondContact O-N 3.06Å; A44-C48 PolarHBondContact O-SG 3.16Å; L45-C48 PolarHBondContact O-N 3.48Å; T46-C48 VanDerWaalsContact C-N 3.26Å; T46-C48 PolarHBondContact O-N 2.81Å; C48-C54 HydrophobicContact CB-CB 4.42Å; C48-C54 VanDerWaalsContact CB-SG 3.55Å; C48-C54 WeakPolarHBondContact O-CB 3.49Å; C48-F55 PolarHBondContact O-N 2.77Å; C48-L58 HydrophobicContact CB-CD1 4.37Å
49	L	68.8	Low	69.8	Low	85 Å²	85	83 Å²	83	45%	0.445	44%	0.436	S	S	.	.	H	α-helix	trans	-93.4	-21.7	173.1	-69.2	169.6	0	0	0	112.3	L45 T46 C47 F55 L58	L45-L49 HydrophobicContact CD1-CD1 4.48Å; L45-L49 HydrophobicContact CG-CD1 4.16Å; L45-L49 VanDerWaalsContact O-CG 3.32Å; L45-L49 WeakPolarHBondContact O-CG 3.45Å; L45-L49 PolarHBondContact O-N 2.99Å; T46-L49 PolarHBondContact O-N 3.29Å; C47-L49 VanDerWaalsContact C-N 3.29Å; C47-L49 PolarHBondContact O-N 3.43Å; L49-F55 HydrophobicContact CD2-CD2 3.92Å; L49-L58 HydrophobicContact CD2-CD1 4.48Å
50	E	72.5	Confident	71.4	Confident	154 Å²	154	83.2 Å²	83.2	72%	0.72	44%	0.437	S	S	*	.	H	α-helix	trans	-76.8	-37.7	172.6	-71.1	174.5	169.9	0	0	112.4	T46 C47 S52	T46-E50 PolarHBondContact O-N 2.89Å; C47-E50 PolarHBondContact O-N 3.36Å; E50-S52 PolarHBondContact O-N 2.88Å
51	D	80.9	Confident	73.3	Confident	73 Å²	73	78 Å²	78	39%	0.39	42%	0.424	S	S	.	.	S	Bend	trans	-71.7	113.9	169.7	177.7	14.2	0	0	0	110.9	C47 W53 C54 F55	C47-D51 PolarHBondContact O-N 3.17Å; D51-W53 PolarHBondContact O-N 3.44Å; D51-W53 PolarHBondContact OD1-N 3.39Å; D51-C54 HydrophobicContact CB-CB 4.07Å; D51-C54 PolarHBondContact O-N 3.33Å; D51-F55 WeakPolarHBondContact O-CB 3.09Å; D51-F55 PolarHBondContact O-N 3.2Å
52	S	80	Confident	74.8	Confident	75 Å²	75	75.2 Å²	75.2	52%	0.524	41%	0.413	S	S	.	.	H	α-helix	trans	-54.4	-35.5	176.7	-63.5	0	0	0	0	113.5	E50 W56	E50-S52 PolarHBondContact O-N 2.88Å; S52-W56 PolarHBondContact O-N 3.15Å; S52-W56 VanDerWaalsContact O-N 3.08Å
53	W	78.2	Confident	76.3	Confident	150 Å²	150	76.7 Å²	76.7	57%	0.568	41%	0.411	S	S	*	.	H	α-helix	trans	-73.1	-40.9	179.9	-65.6	105.2	0	0	0	112	I9 D51 S57	I9-W53 HydrophobicContact CD1-CH2 4.42Å; I9-W53 HydrophobicContact CG2-CH2 3.48Å; I9-W53 VanDerWaalsContact CG2-CH2 3.48Å; I9-W53 HydrophobicContact CG2-CZ2 4.12Å; I9-W53 HydrophobicContact CG2-CZ3 4.07Å; D51-W53 PolarHBondContact O-N 3.44Å; D51-W53 PolarHBondContact OD1-N 3.39Å; W53-S57 VanDerWaalsContact O-CB 3.3Å; W53-S57 WeakPolarHBondContact O-CB 3.48Å; W53-S57 PolarHBondContact O-N 3.49Å; W53-S57 PolarHBondContact O-OG 3.24Å
54	C	79.8	Confident	78.2	Confident	34 Å²	34	74.8 Å²	74.8	23%	0.23	41%	0.408	C	S	.	.	H	α-helix	trans	-66.5	-45	174.5	-164.2	0	0	0	0	111	C48 D51 W56 S57 L58	C48-C54 HydrophobicContact CB-CB 4.42Å; C48-C54 VanDerWaalsContact CB-SG 3.55Å; C48-C54 WeakPolarHBondContact O-CB 3.49Å; D51-C54 HydrophobicContact CB-CB 4.07Å; D51-C54 PolarHBondContact O-N 3.33Å; C54-W56 PolarHBondContact O-N 3.38Å; C54-S57 WeakPolarHBondContact O-CB 3.2Å; C54-S57 PolarHBondContact O-N 3.37Å; C54-S57 VanDerWaalsContact O-N 3.12Å; C54-L58 WeakPolarHBondContact O-CG 3.49Å; C54-L58 PolarHBondContact O-N 3.44Å
55	F	77.3	Confident	79.7	Confident	25 Å²	25	78.2 Å²	78.2	11%	0.11	42%	0.42	C	S	.	.	H	α-helix	trans	-52.2	-53.5	174.1	175.8	-95.3	0	0	0	113	C48 L49 D51 S57 L58 I59 L113 L117	C48-F55 PolarHBondContact O-N 2.77Å; L49-F55 HydrophobicContact CD2-CD2 3.92Å; D51-F55 WeakPolarHBondContact O-CB 3.09Å; D51-F55 PolarHBondContact O-N 3.2Å; F55-S57 VanDerWaalsContact C-N 3.32Å; F55-S57 PolarHBondContact O-N 2.86Å; F55-L58 PolarHBondContact O-N 3.01Å; F55-I59 HydrophobicContact CD1-CD1 3.88Å; F55-I59 HydrophobicContact CE1-CD1 3.41Å; F55-I59 VanDerWaalsContact CE1-CD1 3.41Å; F55-I59 HydrophobicContact CE2-CD1 4.2Å; F55-I59 HydrophobicContact CG-CD1 4.46Å; F55-I59 HydrophobicContact CZ-CD1 3.6Å; F55-I59 WeakPolarHBondContact O-CG1 3.26Å; F55-I59 PolarHBondContact O-N 3.41Å; F55-I59 VanDerWaalsContact O-N 3.09Å; F55-L113 HydrophobicContact CE1-CD2 4.28Å; F55-L113 HydrophobicContact CZ-CD2 4.24Å; F55-L113 HydrophobicContact CZ-CG 4.38Å; F55-L117 HydrophobicContact CE2-CD2 3.81Å; F55-L117 HydrophobicContact CZ-CD2 3.98Å
56	W	84	Confident	81	Confident	149 Å²	149	76.1 Å²	76.1	56%	0.564	41%	0.409	S	S	*	.	H	α-helix	trans	-66.9	-32.4	177.8	-72.6	118.9	0	0	0	112.9	S52 C54 I59 N60	S52-W56 PolarHBondContact O-N 3.15Å; S52-W56 VanDerWaalsContact O-N 3.08Å; C54-W56 PolarHBondContact O-N 3.38Å; W56-I59 HydrophobicContact CE3-CD1 3.92Å; W56-I59 HydrophobicContact CZ3-CD1 4.02Å; W56-I59 PolarHBondContact O-N 3.06Å; W56-N60 WeakPolarHBondContact O-CB 3.28Å; W56-N60 PolarHBondContact O-N 3.18Å
57	S	86.5	Confident	82.1	Confident	55 Å²	55	80 Å²	80	39%	0.385	42%	0.424	S	S	.	.	H	α-helix	trans	-66.9	-40.1	175.2	-60.6	0	0	0	0	112.2	W53 C54 F55 N60 S61	W53-S57 VanDerWaalsContact O-CB 3.3Å; W53-S57 WeakPolarHBondContact O-CB 3.48Å; W53-S57 PolarHBondContact O-N 3.49Å; W53-S57 PolarHBondContact O-OG 3.24Å; C54-S57 WeakPolarHBondContact O-CB 3.2Å; C54-S57 PolarHBondContact O-N 3.37Å; C54-S57 VanDerWaalsContact O-N 3.12Å; F55-S57 VanDerWaalsContact C-N 3.32Å; F55-S57 PolarHBondContact O-N 2.86Å; S57-N60 PolarHBondContact O-N 3.37Å; S57-S61 WeakPolarHBondContact O-CB 3.19Å; S57-S61 PolarHBondContact O-N 2.92Å
58	L	85.3	Confident	83.6	Confident	81 Å²	81	83.6 Å²	83.6	42%	0.424	43%	0.428	S	S	.	.	H	α-helix	trans	-64.4	-42.8	174.6	-71.3	169.5	0	0	0	111.6	C48 L49 C54 F55 S61 G62	C48-L58 HydrophobicContact CB-CD1 4.37Å; L49-L58 HydrophobicContact CD2-CD1 4.48Å; C54-L58 WeakPolarHBondContact O-CG 3.49Å; C54-L58 PolarHBondContact O-N 3.44Å; F55-L58 PolarHBondContact O-N 3.01Å; L58-S61 WeakPolarHBondContact O-CB 3.39Å; L58-S61 PolarHBondContact O-N 3.07Å; L58-G62 PolarHBondContact O-N 2.95Å
59	I	86.4	Confident	84.8	Confident	36 Å²	36	84.4 Å²	84.4	19%	0.185	44%	0.436	C	S	.	.	H	α-helix	trans	-61.1	-47.5	174.6	-69.9	171.2	0	0	0	110.8	F55 W56 S61 G62 Y63 L117	F55-I59 HydrophobicContact CD1-CD1 3.88Å; F55-I59 HydrophobicContact CE1-CD1 3.41Å; F55-I59 VanDerWaalsContact CE1-CD1 3.41Å; F55-I59 HydrophobicContact CE2-CD1 4.2Å; F55-I59 HydrophobicContact CG-CD1 4.46Å; F55-I59 HydrophobicContact CZ-CD1 3.6Å; F55-I59 WeakPolarHBondContact O-CG1 3.26Å; F55-I59 PolarHBondContact O-N 3.41Å; F55-I59 VanDerWaalsContact O-N 3.09Å; W56-I59 HydrophobicContact CE3-CD1 3.92Å; W56-I59 HydrophobicContact CZ3-CD1 4.02Å; W56-I59 PolarHBondContact O-N 3.06Å; I59-S61 VanDerWaalsContact C-N 3.34Å; I59-S61 PolarHBondContact O-N 3.19Å; I59-G62 PolarHBondContact O-N 2.8Å; I59-Y63 HydrophobicContact CG2-CD2 3.91Å; I59-Y63 HydrophobicContact CG2-CE2 3.64Å; I59-Y63 VanDerWaalsContact O-CD2 3.28Å; I59-Y63 WeakPolarHBondContact O-CD2 3.5Å; I59-Y63 PolarHBondContact O-N 2.89Å; I59-Y63 VanDerWaalsContact O-N 3.11Å; I59-L117 HydrophobicContact CD1-CD1 3.83Å; I59-L117 HydrophobicContact CG1-CD1 4.17Å
60	N	88.9	Confident	85.8	Confident	102 Å²	102	82 Å²	82	55%	0.545	43%	0.429	S	S	.	.	H	α-helix	trans	-61.8	-41.5	177.7	-175.3	53.6	0	0	0	112.1	W56 S57 G62 Y63 C64	W56-N60 WeakPolarHBondContact O-CB 3.28Å; W56-N60 PolarHBondContact O-N 3.18Å; S57-N60 PolarHBondContact O-N 3.37Å; N60-G62 VanDerWaalsContact C-N 3.35Å; N60-G62 PolarHBondContact O-N 3.02Å; N60-Y63 PolarHBondContact O-N 3.08Å; N60-C64 PolarHBondContact O-N 3.44Å; N60-C64 PolarHBondContact O-SG 3.17Å
61	S	89.1	Confident	86.7	Confident	50 Å²	50	81.3 Å²	81.3	35%	0.35	42%	0.42	S	S	.	.	H	α-helix	trans	-58.4	-44.5	173.5	-173.8	0	0	0	0	111.7	S57 L58 I59 Y63 C64 L65	S57-S61 WeakPolarHBondContact O-CB 3.19Å; S57-S61 PolarHBondContact O-N 2.92Å; L58-S61 WeakPolarHBondContact O-CB 3.39Å; L58-S61 PolarHBondContact O-N 3.07Å; I59-S61 VanDerWaalsContact C-N 3.34Å; I59-S61 PolarHBondContact O-N 3.19Å; S61-Y63 PolarHBondContact O-N 3.45Å; S61-C64 PolarHBondContact O-N 2.89Å; S61-L65 WeakPolarHBondContact O-CG 3.39Å; S61-L65 PolarHBondContact O-N 3.09Å
62	G	88.6	Confident	87.1	Confident	39 Å²	39	81.7 Å²	81.7	40%	0.402	42%	0.419	S	S	.	.	H	α-helix	trans	-57.9	-44.8	175	0	0	0	0	0	113.5	L58 I59 N60 L65 L66	L58-G62 PolarHBondContact O-N 2.95Å; I59-G62 PolarHBondContact O-N 2.8Å; N60-G62 VanDerWaalsContact C-N 3.35Å; N60-G62 PolarHBondContact O-N 3.02Å; G62-L65 PolarHBondContact O-N 3.31Å; G62-L66 WeakPolarHBondContact O-CB 3.41Å; G62-L66 PolarHBondContact O-N 3.3Å
63	Y	89.7	Confident	87.6	Confident	103 Å²	103	80.4 Å²	80.4	40%	0.404	41%	0.406	S	S	.	.	H	α-helix	trans	-68	-37.1	174.8	-74.4	-68.1	0	0	0	112.8	I59 N60 S61 L66 M67 T124	I59-Y63 HydrophobicContact CG2-CD2 3.91Å; I59-Y63 HydrophobicContact CG2-CE2 3.64Å; I59-Y63 VanDerWaalsContact O-CD2 3.28Å; I59-Y63 WeakPolarHBondContact O-CD2 3.5Å; I59-Y63 PolarHBondContact O-N 2.89Å; I59-Y63 VanDerWaalsContact O-N 3.11Å; N60-Y63 PolarHBondContact O-N 3.08Å; S61-Y63 PolarHBondContact O-N 3.45Å; Y63-L66 PolarHBondContact O-N 3.16Å; Y63-M67 WeakPolarHBondContact O-CG 3.46Å; Y63-M67 PolarHBondContact O-N 3.06Å; Y63-T124 HydrophobicContact CD1-CG2 4.28Å; Y63-T124 HydrophobicContact CE1-CG2 3.69Å; Y63-T124 PolarHBondContact OH-OG1 3.02Å
64	C	91.4	Very high	88.1	Confident	66 Å²	66	74.7 Å²	74.7	45%	0.446	39%	0.386	S	S	.	.	H	α-helix	trans	-62.8	-43.2	174.5	-68.4	0	0	0	0	111.9	N60 S61 M67 Y68	N60-C64 PolarHBondContact O-N 3.44Å; N60-C64 PolarHBondContact O-SG 3.17Å; S61-C64 PolarHBondContact O-N 2.89Å; C64-M67 PolarHBondContact O-N 3.34Å; C64-Y68 WeakPolarHBondContact O-CB 3.5Å; C64-Y68 PolarHBondContact O-N 3.45Å
65	L	91.8	Very high	88.5	Confident	113 Å²	113	76.4 Å²	76.4	59%	0.592	39%	0.393	S	S	*	.	H	α-helix	trans	-63.4	-39.6	174.6	-71	170.2	0	0	0	111.9	S61 G62 Y68 A69	S61-L65 WeakPolarHBondContact O-CG 3.39Å; S61-L65 PolarHBondContact O-N 3.09Å; G62-L65 PolarHBondContact O-N 3.31Å; L65-Y68 PolarHBondContact O-N 3.28Å; L65-A69 WeakPolarHBondContact O-CB 3.15Å; L65-A69 PolarHBondContact O-N 3.29Å
66	L	90.7	Very high	89	Confident	48 Å²	48	80.1 Å²	80.1	25%	0.251	41%	0.413	S	S	.	.	H	α-helix	trans	-64.9	-42.2	174.8	-172.7	70.1	0	0	0	112.1	G62 Y63 A69 A70 T124 F128	G62-L66 WeakPolarHBondContact O-CB 3.41Å; G62-L66 PolarHBondContact O-N 3.3Å; Y63-L66 PolarHBondContact O-N 3.16Å; L66-A69 PolarHBondContact O-N 2.85Å; L66-A70 VanDerWaalsContact O-CB 3.29Å; L66-A70 WeakPolarHBondContact O-CB 3.04Å; L66-A70 PolarHBondContact O-N 3.42Å; L66-T124 HydrophobicContact CD2-CG2 3.35Å; L66-F128 HydrophobicContact CD1-CB 4.11Å; L66-F128 HydrophobicContact CD1-CD1 4.08Å; L66-F128 HydrophobicContact CD1-CD2 4.1Å; L66-F128 HydrophobicContact CD1-CG 3.8Å; L66-F128 HydrophobicContact CD2-CB 4.48Å; L66-F128 HydrophobicContact CG-CD2 4.47Å
67	M	89.2	Confident	89	Confident	140 Å²	140	74.2 Å²	74.2	69%	0.69	39%	0.392	S	S	*	.	H	α-helix	trans	-64.7	-38.7	175.2	-74	176.7	61.4	0	0	112.1	Y63 C64 A70 R71	Y63-M67 WeakPolarHBondContact O-CG 3.46Å; Y63-M67 PolarHBondContact O-N 3.06Å; C64-M67 PolarHBondContact O-N 3.34Å; M67-A70 PolarHBondContact O-N 3.33Å; M67-R71 WeakPolarHBondContact O-CB 3.41Å; M67-R71 PolarHBondContact O-N 2.71Å
68	Y	91.3	Very high	88.9	Confident	154 Å²	154	72 Å²	72	60%	0.604	38%	0.375	S	S	*	.	H	α-helix	trans	-63.8	-49.8	173.6	-179.1	-96.8	0	0	0	111.5	C64 L65 A70 R71 E72	C64-Y68 WeakPolarHBondContact O-CB 3.5Å; C64-Y68 PolarHBondContact O-N 3.45Å; L65-Y68 PolarHBondContact O-N 3.28Å; Y68-A70 VanDerWaalsContact C-N 3.3Å; Y68-A70 PolarHBondContact O-N 3.09Å; Y68-R71 PolarHBondContact O-N 2.97Å; Y68-R71 VanDerWaalsContact O-N 3.08Å; Y68-E72 HydrophobicContact CD1-CG 4.37Å; Y68-E72 HydrophobicContact CE1-CG 3.87Å; Y68-E72 HydrophobicContact CE2-CG 4.25Å; Y68-E72 PolarHBondContact O-N 3.28Å
69	A	91.2	Very high	88.8	Confident	40 Å²	40	69.5 Å²	69.5	33%	0.331	37%	0.368	S	S	.	.	H	α-helix	trans	-59.9	-39.4	176.2	0	0	0	0	0	112.3	L65 L66 R71 E72 L73	L65-A69 WeakPolarHBondContact O-CB 3.15Å; L65-A69 PolarHBondContact O-N 3.29Å; L66-A69 PolarHBondContact O-N 2.85Å; A69-R71 VanDerWaalsContact C-N 3.35Å; A69-E72 PolarHBondContact O-N 3.17Å; A69-L73 WeakPolarHBondContact O-CB 3.43Å; A69-L73 WeakPolarHBondContact O-CG 3.44Å; A69-L73 PolarHBondContact O-N 3.33Å
70	A	89.6	Confident	88.8	Confident	36 Å²	36	76.1 Å²	76.1	30%	0.298	40%	0.399	S	S	.	.	H	α-helix	trans	-60.7	-43.1	173.3	0	0	0	0	0	112	L66 M67 Y68 Q74 F128	L66-A70 VanDerWaalsContact O-CB 3.29Å; L66-A70 WeakPolarHBondContact O-CB 3.04Å; L66-A70 PolarHBondContact O-N 3.42Å; M67-A70 PolarHBondContact O-N 3.33Å; Y68-A70 VanDerWaalsContact C-N 3.3Å; Y68-A70 PolarHBondContact O-N 3.09Å; A70-Q74 VanDerWaalsContact O-CB 3.31Å; A70-Q74 WeakPolarHBondContact O-CB 3.34Å; A70-Q74 PolarHBondContact O-N 3.2Å; A70-F128 HydrophobicContact CB-CD2 4.28Å; A70-F128 HydrophobicContact CB-CE2 3.62Å
71	R	90	Very high	88.7	Confident	138 Å²	138	73.9 Å²	73.9	52%	0.521	39%	0.386	S	S	.	.	H	α-helix	trans	-68.7	-41.7	179.3	-174.6	52	164	-155.8	-7.9	112.3	M67 Y68 A69 Q74 N75	M67-R71 WeakPolarHBondContact O-CB 3.41Å; M67-R71 PolarHBondContact O-N 2.71Å; Y68-R71 PolarHBondContact O-N 2.97Å; Y68-R71 VanDerWaalsContact O-N 3.08Å; A69-R71 VanDerWaalsContact C-N 3.35Å; R71-Q74 WeakPolarHBondContact O-CB 3.15Å; R71-Q74 PolarHBondContact O-N 3.18Å; R71-N75 WeakPolarHBondContact O-CB 3.4Å; R71-N75 PolarHBondContact O-N 3.2Å; R71-N75 PolarHBondContact O-ND2 2.56Å
72	E	90.2	Very high	88.6	Confident	82 Å²	82	74.8 Å²	74.8	38%	0.383	38%	0.382	S	S	.	.	H	α-helix	trans	-68.1	-40.9	177.8	-72.3	-54.7	97.5	0	0	112.4	Y68 A69 Q74 N75 L76	Y68-E72 HydrophobicContact CD1-CG 4.37Å; Y68-E72 HydrophobicContact CE1-CG 3.87Å; Y68-E72 HydrophobicContact CE2-CG 4.25Å; Y68-E72 PolarHBondContact O-N 3.28Å; A69-E72 PolarHBondContact O-N 3.17Å; E72-Q74 VanDerWaalsContact C-N 3.32Å; E72-Q74 PolarHBondContact O-N 3.36Å; E72-N75 PolarHBondContact O-N 3.33Å; E72-N75 PolarHBondContact OE1-ND2 2.56Å; E72-L76 WeakPolarHBondContact O-CB 3.48Å; E72-L76 PolarHBondContact O-N 3.43Å
73	L	89.8	Confident	88.5	Confident	48 Å²	48	77.7 Å²	77.7	25%	0.251	40%	0.396	S	S	.	.	H	α-helix	trans	-65.8	-35.1	172.3	-70.9	167	0	0	0	112.1	A69 F77 F128 L132	A69-L73 WeakPolarHBondContact O-CB 3.43Å; A69-L73 WeakPolarHBondContact O-CG 3.44Å; A69-L73 PolarHBondContact O-N 3.33Å; L73-F77 HydrophobicContact CD2-CD2 4.05Å; L73-F77 HydrophobicContact CD2-CE2 3.72Å; L73-F77 PolarHBondContact O-N 3.27Å; L73-F128 HydrophobicContact CD1-CE1 4.42Å; L73-F128 HydrophobicContact CD1-CZ 3.84Å; L73-L132 HydrophobicContact CD1-CD2 4.18Å
74	Q	89.8	Confident	88.3	Confident	30 Å²	30	74.5 Å²	74.5	14%	0.14	39%	0.391	C	S	.	.	H	α-helix	trans	-60.4	-51.9	171	-166.7	-143.5	-50.7	0	0	110.8	A70 R71 E72 F78 G79 L81	A70-Q74 VanDerWaalsContact O-CB 3.31Å; A70-Q74 WeakPolarHBondContact O-CB 3.34Å; A70-Q74 PolarHBondContact O-N 3.2Å; R71-Q74 WeakPolarHBondContact O-CB 3.15Å; R71-Q74 PolarHBondContact O-N 3.18Å; E72-Q74 VanDerWaalsContact C-N 3.32Å; E72-Q74 PolarHBondContact O-N 3.36Å; Q74-F78 CarbonylContact O-C 3.26Å; Q74-F78 WeakPolarHBondContact O-CA 3.27Å; Q74-F78 WeakPolarHBondContact O-CB 3.39Å; Q74-F78 PolarHBondContact O-N 2.91Å; Q74-G79 PolarHBondContact NE2-O 3.06Å; Q74-G79 PolarHBondContact O-N 3.11Å; Q74-L81 HydrophobicContact CG-CD1 4.04Å
75	N	87.1	Confident	88.2	Confident	70 Å²	70	71.4 Å²	71.4	37%	0.374	37%	0.37	S	S	.	.	H	α-helix	trans	-61.3	-49.3	-178.2	-69.4	-23	0	0	0	112	R71 E72 F77 G79	R71-N75 WeakPolarHBondContact O-CB 3.4Å; R71-N75 PolarHBondContact O-N 3.2Å; R71-N75 PolarHBondContact O-ND2 2.56Å; E72-N75 PolarHBondContact O-N 3.33Å; E72-N75 PolarHBondContact OE1-ND2 2.56Å; N75-F77 PolarHBondContact O-N 2.99Å; N75-G79 PolarHBondContact O-N 3.09Å
76	L	87.4	Confident	88	Confident	103 Å²	103	69.2 Å²	69.2	54%	0.539	36%	0.359	S	S	.	.	H	α-helix	trans	-68	-36.2	-171.6	-178.2	60.6	0	0	0	114.1	E72 R156	E72-L76 WeakPolarHBondContact O-CB 3.48Å; E72-L76 PolarHBondContact O-N 3.43Å; L76-R156 PolarHBondContact O-NH1 3.06Å
77	F	85.6	Confident	87.9	Confident	25 Å²	25	69.1 Å²	69.1	11%	0.11	36%	0.362	C	S	.	.	H	α-helix	trans	-107.4	-31.3	-173.9	-69.9	-83.6	0	0	0	114.4	L73 N75 R156 L160	L73-F77 HydrophobicContact CD2-CD2 4.05Å; L73-F77 HydrophobicContact CD2-CE2 3.72Å; L73-F77 PolarHBondContact O-N 3.27Å; N75-F77 PolarHBondContact O-N 2.99Å; F77-R156 HydrophobicContact CD1-CB 4.01Å; F77-R156 HydrophobicContact CE1-CB 4.14Å; F77-R156 WeakPolarHBondContact CE1-O 2.92Å; F77-L160 HydrophobicContact CB-CD2 4.09Å; F77-L160 HydrophobicContact CD1-CB 4.03Å; F77-L160 HydrophobicContact CD1-CD2 4.01Å; F77-L160 HydrophobicContact CD1-CG 4.48Å; F77-L160 HydrophobicContact CD2-CD1 4.27Å; F77-L160 HydrophobicContact CD2-CD2 4.1Å; F77-L160 HydrophobicContact CE1-CB 3.84Å; F77-L160 HydrophobicContact CE1-CD1 4.5Å; F77-L160 HydrophobicContact CE1-CD2 4.5Å; F77-L160 HydrophobicContact CE1-CG 4.5Å; F77-L160 HydrophobicContact CE2-CD1 3.98Å; F77-L160 HydrophobicContact CG-CD2 3.81Å; F77-L160 HydrophobicContact CZ-CB 4.24Å; F77-L160 HydrophobicContact CZ-CD1 4.11Å
78	F	83.7	Confident	87.7	Confident	9 Å²	9	65.4 Å²	65.4	4%	0.039	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.1	-30.7	-172.5	-48.1	-92.8	0	0	0	112.8	Q74 L132 L135 I136 R139 L160	Q74-F78 CarbonylContact O-C 3.26Å; Q74-F78 WeakPolarHBondContact O-CA 3.27Å; Q74-F78 WeakPolarHBondContact O-CB 3.39Å; Q74-F78 PolarHBondContact O-N 2.91Å; F78-L132 HydrophobicContact CE2-CD1 3.89Å; F78-L132 HydrophobicContact CZ-CD1 4.1Å; F78-L135 HydrophobicContact CD1-CD1 4.29Å; F78-L135 HydrophobicContact CD1-CD2 4.05Å; F78-L135 HydrophobicContact CD1-CG 3.81Å; F78-L135 HydrophobicContact CD2-CD2 3.87Å; F78-L135 HydrophobicContact CD2-CG 4.47Å; F78-L135 HydrophobicContact CE1-CD2 4.15Å; F78-L135 HydrophobicContact CE1-CG 3.71Å; F78-L135 HydrophobicContact CE2-CD2 3.94Å; F78-L135 HydrophobicContact CE2-CG 4.37Å; F78-L135 HydrophobicContact CG-CD2 3.93Å; F78-L135 HydrophobicContact CG-CG 4.21Å; F78-L135 HydrophobicContact CZ-CD2 4.08Å; F78-L135 HydrophobicContact CZ-CG 4Å; F78-I136 HydrophobicContact CE1-CG1 3.99Å; F78-I136 HydrophobicContact CZ-CG1 3.64Å; F78-R139 HydrophobicContact CD1-CB 3.92Å; F78-R139 HydrophobicContact CD1-CG 3.89Å; F78-R139 HydrophobicContact CE1-CB 4.12Å; F78-R139 HydrophobicContact CE1-CG 4.49Å; F78-R139 PolarHBondContact O-NH2 2.8Å; F78-L160 HydrophobicContact CE2-CD2 4.01Å; F78-L160 HydrophobicContact CZ-CD2 3.8Å
79	G	83.4	Confident	87.5	Confident	27 Å²	27	60.1 Å²	60.1	28%	0.278	33%	0.325	S	S	.	.			trans	66.7	-132.4	-170.9	0	0	0	0	0	111.2	Q74 N75	Q74-G79 PolarHBondContact NE2-O 3.06Å; Q74-G79 PolarHBondContact O-N 3.11Å; N75-G79 PolarHBondContact O-N 3.09Å
80	Q	86.3	Confident	87.3	Confident	176 Å²	176	64.3 Å²	64.3	82%	0.822	33%	0.332	S	S	*	.	S	Bend	trans	-68.3	135.1	179.5	-66.9	-174	-0.4	0	0	112.4	R139	Q80-R139 PolarHBondContact O-NH1 3.11Å; Q80-R139 PolarHBondContact O-NH2 3.17Å
81	L	86.5	Confident	87.1	Confident	55 Å²	55	66.2 Å²	66.2	29%	0.288	34%	0.335	S	S	.	.	P	Polyproline II helix	trans	-86.3	136.2	179.9	-139.1	65.6	0	0	0	110.1	Q74 E85 D86 I89 L135	Q74-L81 HydrophobicContact CG-CD1 4.04Å; L81-E85 WeakPolarHBondContact CA-OE2 3.4Å; L81-E85 HydrophobicContact CD1-CB 4.36Å; L81-E85 HydrophobicContact CG-CB 3.96Å; L81-D86 HydrophobicContact CD2-CB 4.4Å; L81-I89 HydrophobicContact CD2-CD1 4.03Å; L81-L135 HydrophobicContact CD1-CD1 3.63Å; L81-L135 HydrophobicContact CD1-CD2 3.83Å; L81-L135 HydrophobicContact CD1-CG 4.4Å
82	R	87.2	Confident	86.8	Confident	69 Å²	69	62.8 Å²	62.8	26%	0.26	33%	0.327	S	S	.	.	P	Polyproline II helix	trans	-78.4	147.1	175.8	-60	175.8	-70.6	143	-1.8	109.2	A84 E85 D86 D138 Y142	R82-A84 PolarHBondContact O-N 3.17Å; R82-E85 HydrophobicContact CB-CB 4.48Å; R82-E85 HydrophobicContact CB-CG 4.1Å; R82-E85 WeakPolarHBondContact CB-OE2 3.4Å; R82-E85 IonicContact CZ-OE1 3.55Å; R82-E85 PolarHBondContact N-OE2 3.34Å; R82-E85 IonicContact NE-OE1 3.98Å; R82-E85 PolarHBondContact NE-OE1 3.02Å; R82-E85 IonicContact NE-OE2 3.35Å; R82-E85 IonicContact NH2-OE1 2.66Å; R82-E85 PolarHBondContact NH2-OE1 3.42Å; R82-E85 WeakPolarHBondContact O-CA 3.37Å; R82-E85 WeakPolarHBondContact O-CB 2.94Å; R82-E85 PolarHBondContact O-N 3.27Å; R82-D86 PolarHBondContact O-N 3.27Å; R82-D138 PolarHBondContact NH2-O 3.16Å; R82-Y142 VanDerWaalsContact CZ-CG 3.43Å; R82-Y142 VanDerWaalsContact NH1-CB 3.31Å; R82-Y142 VanDerWaalsContact NH2-CB 3.35Å
83	S	87.5	Confident	86.7	Confident	100 Å²	100	64 Å²	64	70%	0.699	33%	0.331	S	S	*	.	H	α-helix	trans	-55.5	-28.1	177.2	54.1	0	0	0	0	114.1	S87	S83-S87 WeakPolarHBondContact O-CB 3.3Å; S83-S87 PolarHBondContact O-N 3.31Å; S83-S87 VanDerWaalsContact O-N 3.16Å; S83-S87 PolarHBondContact O-OG 2.75Å
84	A	85.5	Confident	86.3	Confident	36 Å²	36	64.2 Å²	64.2	30%	0.298	34%	0.336	S	S	.	.	H	α-helix	trans	-74.8	-31.4	173.6	0	0	0	0	0	114.1	R82 H88	R82-A84 PolarHBondContact O-N 3.17Å; A84-H88 WeakPolarHBondContact O-CB 3.47Å; A84-H88 PolarHBondContact O-N 3.38Å
85	E	88.6	Confident	85.9	Confident	1 Å²	1	64.5 Å²	64.5	1%	0.005	34%	0.342	C	S	.	.	H	α-helix	trans	-73.6	-49.5	174.5	-67.7	167.4	159.9	0	0	109.7	L81 R82 S87 H88 I89 L135 D138 R139	L81-E85 WeakPolarHBondContact CA-OE2 3.4Å; L81-E85 HydrophobicContact CD1-CB 4.36Å; L81-E85 HydrophobicContact CG-CB 3.96Å; R82-E85 HydrophobicContact CB-CB 4.48Å; R82-E85 HydrophobicContact CB-CG 4.1Å; R82-E85 WeakPolarHBondContact CB-OE2 3.4Å; R82-E85 IonicContact CZ-OE1 3.55Å; R82-E85 PolarHBondContact N-OE2 3.34Å; R82-E85 IonicContact NE-OE1 3.98Å; R82-E85 PolarHBondContact NE-OE1 3.02Å; R82-E85 IonicContact NE-OE2 3.35Å; R82-E85 IonicContact NH2-OE1 2.66Å; R82-E85 PolarHBondContact NH2-OE1 3.42Å; R82-E85 WeakPolarHBondContact O-CA 3.37Å; R82-E85 WeakPolarHBondContact O-CB 2.94Å; R82-E85 PolarHBondContact O-N 3.27Å; E85-S87 VanDerWaalsContact C-N 3.35Å; E85-S87 PolarHBondContact O-N 2.76Å; E85-H88 PolarHBondContact O-N 3.02Å; E85-I89 WeakPolarHBondContact O-CG1 3.37Å; E85-I89 PolarHBondContact O-N 3.03Å; E85-L135 HydrophobicContact CB-CD1 4.2Å; E85-L135 HydrophobicContact CG-CD1 4.18Å; E85-D138 HydrophobicContact CG-CB 4.34Å; E85-R139 WeakPolarHBondContact OE1-CD 3.42Å; E85-R139 IonicContact OE1-CZ 3.91Å; E85-R139 IonicContact OE1-NE 3.84Å; E85-R139 IonicContact OE1-NH1 3.65Å; E85-R139 PolarHBondContact OE1-NH1 2.78Å; E85-R139 IonicContact OE2-NH1 3.6Å; E85-R139 PolarHBondContact OE2-NH1 2.83Å
86	D	87	Confident	85.9	Confident	66 Å²	66	62.6 Å²	62.6	35%	0.353	33%	0.33	S	S	.	.	H	α-helix	trans	-51.3	-50.8	174.5	160.9	78.2	0	0	0	112.2	L81 R82 H88 I89 R90	L81-D86 HydrophobicContact CD2-CB 4.4Å; R82-D86 PolarHBondContact O-N 3.27Å; D86-H88 VanDerWaalsContact C-N 3.31Å; D86-H88 PolarHBondContact O-N 3.28Å; D86-I89 PolarHBondContact O-N 2.75Å; D86-R90 WeakPolarHBondContact O-CB 3.39Å; D86-R90 PolarHBondContact O-N 2.91Å; D86-R90 IonicContact OD1-NH1 2.83Å; D86-R90 PolarHBondContact OD1-NH1 3.17Å; D86-R90 IonicContact OD2-CZ 2.71Å; D86-R90 VanDerWaalsContact OD2-CZ 3.27Å; D86-R90 IonicContact OD2-NH1 3.51Å; D86-R90 PolarHBondContact OD2-NH1 3.03Å; D86-R90 IonicContact OD2-NH2 3.15Å; D86-R90 PolarHBondContact OD2-NH2 3.47Å
87	S	88.9	Confident	85.8	Confident	47 Å²	47	61.5 Å²	61.5	33%	0.329	32%	0.324	S	S	.	.	H	α-helix	trans	-63.4	-38.5	-178.1	-61.6	0	0	0	0	112.3	S83 E85 R90 E91	S83-S87 WeakPolarHBondContact O-CB 3.3Å; S83-S87 PolarHBondContact O-N 3.31Å; S83-S87 VanDerWaalsContact O-N 3.16Å; S83-S87 PolarHBondContact O-OG 2.75Å; E85-S87 VanDerWaalsContact C-N 3.35Å; E85-S87 PolarHBondContact O-N 2.76Å; S87-R90 PolarHBondContact OG-NH2 2.67Å; S87-E91 WeakPolarHBondContact O-CG 3.47Å; S87-E91 PolarHBondContact O-N 2.93Å; S87-E91 VanDerWaalsContact O-N 3.11Å
88	H	85.1	Confident	85.8	Confident	62 Å²	62	63.2 Å²	63.2	29%	0.287	33%	0.332	S	S	.	.	H	α-helix	trans	-71.5	-40.8	179.2	-173.9	-154.1	0	0	0	111.7	A84 E85 D86 E91 N92 D138	A84-H88 WeakPolarHBondContact O-CB 3.47Å; A84-H88 PolarHBondContact O-N 3.38Å; E85-H88 PolarHBondContact O-N 3.02Å; D86-H88 VanDerWaalsContact C-N 3.31Å; D86-H88 PolarHBondContact O-N 3.28Å; H88-E91 PolarHBondContact O-N 3.41Å; H88-N92 PolarHBondContact CD2-ND2 3.12Å; H88-N92 PolarHBondContact NE2-ND2 3.44Å; H88-N92 VanDerWaalsContact O-CB 3.3Å; H88-N92 WeakPolarHBondContact O-CB 3.43Å; H88-N92 PolarHBondContact O-N 3.45Å; H88-N92 PolarHBondContact O-ND2 3.08Å; H88-D138 IonicContact CE1-OD1 2.8Å; H88-D138 PolarHBondContact CE1-OD1 3.22Å; H88-D138 IonicContact CE1-OD2 3.27Å; H88-D138 IonicContact CG-OD2 2.8Å; H88-D138 VanDerWaalsContact ND1-CG 3.34Å; H88-D138 IonicContact ND1-OD1 2.93Å; H88-D138 PolarHBondContact ND1-OD1 3.27Å; H88-D138 IonicContact ND1-OD2 2.81Å; H88-D138 PolarHBondContact ND1-OD2 3.49Å
89	I	87.7	Confident	85.8	Confident	43 Å²	43	65.3 Å²	65.3	22%	0.221	34%	0.34	C	S	.	.	H	α-helix	trans	-60.4	-45.7	174.2	-73.2	163	0	0	0	110.9	L81 E85 D86 N92 F93 L131 L135	L81-I89 HydrophobicContact CD2-CD1 4.03Å; E85-I89 WeakPolarHBondContact O-CG1 3.37Å; E85-I89 PolarHBondContact O-N 3.03Å; D86-I89 PolarHBondContact O-N 2.75Å; I89-N92 PolarHBondContact O-N 2.89Å; I89-F93 VanDerWaalsContact O-CB 3.24Å; I89-F93 WeakPolarHBondContact O-CB 3.42Å; I89-F93 PolarHBondContact O-N 3.33Å; I89-L131 HydrophobicContact CG2-CD2 4.39Å; I89-L135 HydrophobicContact CD1-CB 4.26Å; I89-L135 HydrophobicContact CD1-CD1 4.18Å; I89-L135 HydrophobicContact CD1-CD2 4.44Å
90	R	86.7	Confident	86	Confident	127 Å²	127	64.6 Å²	64.6	48%	0.479	33%	0.329	S	S	.	.	H	α-helix	trans	-62.5	-45.7	178.3	176.2	169.9	51.1	-98.8	-3.9	112.9	D86 S87 F93 S94	D86-R90 WeakPolarHBondContact O-CB 3.39Å; D86-R90 PolarHBondContact O-N 2.91Å; D86-R90 IonicContact OD1-NH1 2.83Å; D86-R90 PolarHBondContact OD1-NH1 3.17Å; D86-R90 IonicContact OD2-CZ 2.71Å; D86-R90 VanDerWaalsContact OD2-CZ 3.27Å; D86-R90 IonicContact OD2-NH1 3.51Å; D86-R90 PolarHBondContact OD2-NH1 3.03Å; D86-R90 IonicContact OD2-NH2 3.15Å; D86-R90 PolarHBondContact OD2-NH2 3.47Å; S87-R90 PolarHBondContact OG-NH2 2.67Å; R90-F93 PolarHBondContact O-N 3.5Å; R90-S94 WeakPolarHBondContact O-CB 3.33Å; R90-S94 PolarHBondContact O-N 2.83Å; R90-S94 VanDerWaalsContact O-N 3.08Å
91	E	84.6	Confident	86	Confident	76 Å²	76	59.7 Å²	59.7	36%	0.355	31%	0.311	S	S	.	.	H	α-helix	trans	-64.2	-41.1	176.9	-72.3	-174.1	152.8	0	0	111.9	S87 H88 S95 R497	S87-E91 WeakPolarHBondContact O-CG 3.47Å; S87-E91 PolarHBondContact O-N 2.93Å; S87-E91 VanDerWaalsContact O-N 3.11Å; H88-E91 PolarHBondContact O-N 3.41Å; E91-S95 WeakPolarHBondContact O-CB 3.44Å; E91-S95 PolarHBondContact O-N 3.03Å; E91-S95 VanDerWaalsContact O-N 3.13Å; E91-S95 PolarHBondContact O-OG 2.97Å; E91-R497 IonicContact OE1-CZ 2.67Å; E91-R497 IonicContact OE1-NE 3.83Å; E91-R497 IonicContact OE1-NH2 2.67Å; E91-R497 PolarHBondContact OE1-NH2 3.43Å
92	N	84.3	Confident	85.9	Confident	67 Å²	67	57.9 Å²	57.9	36%	0.358	30%	0.302	S	S	.	.	H	α-helix	trans	-67.8	-41.1	177.6	-72	-21.2	0	0	0	112.5	H88 I89 S95 F96 L131	H88-N92 PolarHBondContact CD2-ND2 3.12Å; H88-N92 PolarHBondContact NE2-ND2 3.44Å; H88-N92 VanDerWaalsContact O-CB 3.3Å; H88-N92 WeakPolarHBondContact O-CB 3.43Å; H88-N92 PolarHBondContact O-N 3.45Å; H88-N92 PolarHBondContact O-ND2 3.08Å; I89-N92 PolarHBondContact O-N 2.89Å; N92-S95 PolarHBondContact O-N 2.92Å; N92-F96 VanDerWaalsContact O-CB 3.31Å; N92-F96 WeakPolarHBondContact O-CB 3.29Å; N92-F96 PolarHBondContact O-N 3.33Å; N92-L131 HydrophobicContact CB-CD2 4Å
93	F	88.3	Confident	85.9	Confident	108 Å²	108	54.8 Å²	54.8	47%	0.474	29%	0.29	S	S	.	.	H	α-helix	trans	-66.5	-46.6	179.5	179.6	-125.6	0	0	0	112.2	I89 R90 S95 F96 I97 L131	I89-F93 VanDerWaalsContact O-CB 3.24Å; I89-F93 WeakPolarHBondContact O-CB 3.42Å; I89-F93 PolarHBondContact O-N 3.33Å; R90-F93 PolarHBondContact O-N 3.5Å; F93-S95 VanDerWaalsContact C-N 3.35Å; F93-S95 PolarHBondContact O-N 3.36Å; F93-F96 PolarHBondContact O-N 3.01Å; F93-I97 HydrophobicContact CD1-CD1 4.27Å; F93-I97 HydrophobicContact CD2-CD1 4.04Å; F93-I97 HydrophobicContact CD2-CG1 4.36Å; F93-I97 HydrophobicContact CE1-CD1 3.81Å; F93-I97 HydrophobicContact CE2-CD1 3.58Å; F93-I97 HydrophobicContact CE2-CG1 4.15Å; F93-I97 HydrophobicContact CG-CD1 4.39Å; F93-I97 HydrophobicContact CZ-CD1 3.46Å; F93-I97 VanDerWaalsContact CZ-CD1 3.46Å; F93-I97 PolarHBondContact O-N 2.99Å; F93-L131 HydrophobicContact CB-CD1 4.05Å; F93-L131 HydrophobicContact CB-CD2 4.27Å; F93-L131 HydrophobicContact CD2-CD1 3.74Å; F93-L131 HydrophobicContact CG-CD1 4.18Å
94	S	80.9	Confident	85.9	Confident	51 Å²	51	50.6 Å²	50.6	36%	0.357	26%	0.26	S	S	.	.	H	α-helix	trans	-55.6	-49.5	173.5	-177.8	0	0	0	0	111.3	R90 F96 I97 F98	R90-S94 WeakPolarHBondContact O-CB 3.33Å; R90-S94 PolarHBondContact O-N 2.83Å; R90-S94 VanDerWaalsContact O-N 3.08Å; S94-F96 PolarHBondContact O-N 3.49Å; S94-I97 PolarHBondContact O-N 2.9Å; S94-F98 PolarHBondContact O-N 3.31Å; S94-F98 VanDerWaalsContact O-N 3.08Å
95	S	80.9	Confident	85.9	Confident	36 Å²	36	54.5 Å²	54.5	25%	0.252	27%	0.268	S	S	.	.	H	α-helix	trans	-62.6	-40	178.5	-57.3	0	0	0	0	113	E91 N92 F93 Y99 H498	E91-S95 WeakPolarHBondContact O-CB 3.44Å; E91-S95 PolarHBondContact O-N 3.03Å; E91-S95 VanDerWaalsContact O-N 3.13Å; E91-S95 PolarHBondContact O-OG 2.97Å; N92-S95 PolarHBondContact O-N 2.92Å; F93-S95 VanDerWaalsContact C-N 3.35Å; F93-S95 PolarHBondContact O-N 3.36Å; S95-Y99 PolarHBondContact O-N 3.4Å; S95-H498 PolarHBondContact OG-CE1 2.81Å; S95-H498 PolarHBondContact OG-ND1 3.05Å
96	F	87.5	Confident	85.6	Confident	31 Å²	31	55.7 Å²	55.7	14%	0.136	28%	0.281	C	S	.	.	H	α-helix	trans	-65.2	-49.2	177.8	179	-92.4	0	0	0	111.6	N92 F93 S94 F98 Y99 K100 F123 G127	N92-F96 VanDerWaalsContact O-CB 3.31Å; N92-F96 WeakPolarHBondContact O-CB 3.29Å; N92-F96 PolarHBondContact O-N 3.33Å; F93-F96 PolarHBondContact O-N 3.01Å; S94-F96 PolarHBondContact O-N 3.49Å; F96-F98 PolarHBondContact O-N 3.29Å; F96-Y99 PolarHBondContact O-N 2.73Å; F96-K100 HydrophobicContact CD1-CG 4.23Å; F96-K100 HydrophobicContact CE1-CG 3.85Å; F96-K100 HydrophobicContact CE2-CD 4.47Å; F96-K100 VanDerWaalsContact CE2-CE 3.42Å; F96-K100 HydrophobicContact CE2-CG 4.21Å; F96-K100 HydrophobicContact CZ-CD 4.39Å; F96-K100 HydrophobicContact CZ-CG 3.84Å; F96-K100 WeakPolarHBondContact O-CG 3.4Å; F96-K100 PolarHBondContact O-N 3.19Å; F96-F123 WeakPolarHBondContact CE1-O 3.15Å; F96-F123 HydrophobicContact CZ-CB 4.5Å; F96-F123 WeakPolarHBondContact CZ-O 3.42Å; F96-G127 VanDerWaalsContact CZ-CA 3.44Å
97	I	86.4	Confident	85.5	Confident	79 Å²	79	53.3 Å²	53.3	41%	0.405	27%	0.268	S	S	.	.	H	α-helix	trans	-58	-48.8	177.9	-72.4	174.1	0	0	0	110.4	F93 S94 Y99 K100 V101	F93-I97 HydrophobicContact CD1-CD1 4.27Å; F93-I97 HydrophobicContact CD2-CD1 4.04Å; F93-I97 HydrophobicContact CD2-CG1 4.36Å; F93-I97 HydrophobicContact CE1-CD1 3.81Å; F93-I97 HydrophobicContact CE2-CD1 3.58Å; F93-I97 HydrophobicContact CE2-CG1 4.15Å; F93-I97 HydrophobicContact CG-CD1 4.39Å; F93-I97 HydrophobicContact CZ-CD1 3.46Å; F93-I97 VanDerWaalsContact CZ-CD1 3.46Å; F93-I97 PolarHBondContact O-N 2.99Å; S94-I97 PolarHBondContact O-N 2.9Å; I97-Y99 VanDerWaalsContact C-N 3.34Å; I97-Y99 PolarHBondContact O-N 3.07Å; I97-K100 PolarHBondContact O-N 3.4Å; I97-V101 HydrophobicContact CG2-CG2 4.16Å; I97-V101 WeakPolarHBondContact O-CG2 3.33Å; I97-V101 PolarHBondContact O-N 3.49Å
98	F	84.2	Confident	85.4	Confident	61 Å²	61	52.8 Å²	52.8	27%	0.268	26%	0.261	S	S	.	.	H	α-helix	trans	-55.5	-48.6	-179.9	175.5	-106.8	0	0	0	112	S94 F96 K100 V101 V102 L495	S94-F98 PolarHBondContact O-N 3.31Å; S94-F98 VanDerWaalsContact O-N 3.08Å; F96-F98 PolarHBondContact O-N 3.29Å; F98-K100 PolarHBondContact O-N 2.89Å; F98-V101 PolarHBondContact O-N 3.18Å; F98-V102 HydrophobicContact CE1-CG2 4.36Å; F98-V102 HydrophobicContact CE2-CG2 4.01Å; F98-V102 HydrophobicContact CZ-CG2 3.93Å; F98-V102 WeakPolarHBondContact O-CG2 3.3Å; F98-V102 PolarHBondContact O-N 3.4Å; F98-V102 VanDerWaalsContact O-N 3.11Å; F98-L495 HydrophobicContact CD1-CD2 3.95Å; F98-L495 HydrophobicContact CD2-CD2 3.96Å; F98-L495 HydrophobicContact CE1-CD2 3.63Å; F98-L495 HydrophobicContact CE2-CD1 4.01Å; F98-L495 HydrophobicContact CE2-CD2 3.64Å; F98-L495 HydrophobicContact CE2-CG 4.47Å; F98-L495 HydrophobicContact CG-CD2 4.11Å; F98-L495 HydrophobicContact CZ-CD1 4.22Å; F98-L495 HydrophobicContact CZ-CD2 3.47Å; F98-L495 VanDerWaalsContact CZ-CD2 3.47Å
99	Y	84.5	Confident	85.4	Confident	53 Å²	53	56 Å²	56	21%	0.208	28%	0.276	C	S	.	.	H	α-helix	trans	-63.9	-39.7	178.8	-172.2	-84.7	0	0	0	112.6	S95 F96 I97 V102 F103 M255 H273	S95-Y99 PolarHBondContact O-N 3.4Å; F96-Y99 PolarHBondContact O-N 2.73Å; I97-Y99 VanDerWaalsContact C-N 3.34Å; I97-Y99 PolarHBondContact O-N 3.07Å; Y99-V102 PolarHBondContact O-N 2.98Å; Y99-F103 WeakPolarHBondContact O-CB 3.24Å; Y99-F103 PolarHBondContact O-N 2.87Å; Y99-M255 VanDerWaalsContact OH-CE 3.26Å; Y99-M255 WeakPolarHBondContact OH-CE 3.17Å; Y99-H273 AromaticContact CE2-CE1 3.75Å; Y99-H273 AromaticContact CE2-ND1 3.62Å
100	K	88.4	Confident	85.4	Confident	12 Å²	12	54.4 Å²	54.4	5%	0.052	27%	0.268	C	S	.	.	H	α-helix	trans	-71	-36.1	178.8	-62.2	-46.5	178	-151.7	0	113.4	F96 I97 F98 V102 F103 I104 F123 E193	F96-K100 HydrophobicContact CD1-CG 4.23Å; F96-K100 HydrophobicContact CE1-CG 3.85Å; F96-K100 HydrophobicContact CE2-CD 4.47Å; F96-K100 VanDerWaalsContact CE2-CE 3.42Å; F96-K100 HydrophobicContact CE2-CG 4.21Å; F96-K100 HydrophobicContact CZ-CD 4.39Å; F96-K100 HydrophobicContact CZ-CG 3.84Å; F96-K100 WeakPolarHBondContact O-CG 3.4Å; F96-K100 PolarHBondContact O-N 3.19Å; I97-K100 PolarHBondContact O-N 3.4Å; F98-K100 PolarHBondContact O-N 2.89Å; K100-V102 VanDerWaalsContact C-N 3.34Å; K100-F103 PolarHBondContact O-N 3.18Å; K100-I104 VanDerWaalsContact O-CG1 3.27Å; K100-I104 WeakPolarHBondContact O-CG1 3.46Å; K100-I104 PolarHBondContact O-N 3.07Å; K100-F123 HydrophobicContact CB-CD2 4.42Å; K100-F123 HydrophobicContact CB-CG 4.36Å; K100-F123 HydrophobicContact CD-CD1 3.58Å; K100-F123 HydrophobicContact CD-CD2 4.45Å; K100-F123 HydrophobicContact CD-CE1 3.69Å; K100-F123 HydrophobicContact CD-CG 4Å; K100-F123 HydrophobicContact CD-CZ 4.2Å; K100-F123 HydrophobicContact CG-CB 4.22Å; K100-F123 HydrophobicContact CG-CD1 4.02Å; K100-F123 HydrophobicContact CG-CD2 4.5Å; K100-F123 HydrophobicContact CG-CG 4Å; K100-E193 WeakPolarHBondContact CE-OE2 3.32Å; K100-E193 IonicContact NZ-OE1 2.58Å; K100-E193 PolarHBondContact NZ-OE1 3.48Å; K100-E193 IonicContact NZ-OE2 2.73Å; K100-E193 PolarHBondContact NZ-OE2 3.24Å
101	V	86.2	Confident	85.3	Confident	73 Å²	73	56.2 Å²	56.2	44%	0.442	28%	0.282	S	S	.	.	H	α-helix	trans	-61.8	-43.5	172.3	172	0	0	0	0	110.6	I97 F98 Y105	I97-V101 HydrophobicContact CG2-CG2 4.16Å; I97-V101 WeakPolarHBondContact O-CG2 3.33Å; I97-V101 PolarHBondContact O-N 3.49Å; F98-V101 PolarHBondContact O-N 3.18Å; V101-Y105 HydrophobicContact CG1-CD2 3.96Å; V101-Y105 HydrophobicContact CG1-CE2 4.24Å; V101-Y105 WeakPolarHBondContact O-CD2 3.33Å; V101-Y105 PolarHBondContact O-N 3.22Å
102	V	83.7	Confident	85.5	Confident	17 Å²	17	56.9 Å²	56.9	10%	0.103	29%	0.291	C	S	.	.	H	α-helix	trans	-64.7	-40.8	174.9	172.3	0	0	0	0	112.1	F98 Y99 K100 G106 I269	F98-V102 HydrophobicContact CE1-CG2 4.36Å; F98-V102 HydrophobicContact CE2-CG2 4.01Å; F98-V102 HydrophobicContact CZ-CG2 3.93Å; F98-V102 WeakPolarHBondContact O-CG2 3.3Å; F98-V102 PolarHBondContact O-N 3.4Å; F98-V102 VanDerWaalsContact O-N 3.11Å; Y99-V102 PolarHBondContact O-N 2.98Å; K100-V102 VanDerWaalsContact C-N 3.34Å; V102-G106 VanDerWaalsContact O-CA 3.25Å; V102-G106 WeakPolarHBondContact O-CA 3.23Å; V102-G106 PolarHBondContact O-N 3.19Å; V102-I269 HydrophobicContact CG1-CB 4.39Å; V102-I269 HydrophobicContact CG1-CD1 3.75Å; V102-I269 HydrophobicContact CG1-CG2 4.06Å; V102-I269 HydrophobicContact CG2-CD1 4.4Å
103	F	87.6	Confident	85.5	Confident	4 Å²	4	58.2 Å²	58.2	2%	0.018	30%	0.298	C	S	.	.	H	α-helix	trans	-61.8	-50	177.7	179.3	-99.4	0	0	0	112.1	Y99 K100 I107 L108 W119 F123 F189 M255	Y99-F103 WeakPolarHBondContact O-CB 3.24Å; Y99-F103 PolarHBondContact O-N 2.87Å; K100-F103 PolarHBondContact O-N 3.18Å; F103-I107 HydrophobicContact CD2-CB 4.21Å; F103-I107 HydrophobicContact CD2-CD1 4.06Å; F103-I107 HydrophobicContact CD2-CG2 4.39Å; F103-I107 HydrophobicContact CE2-CB 4.48Å; F103-I107 HydrophobicContact CE2-CG2 4.22Å; F103-I107 WeakPolarHBondContact O-CA 3.45Å; F103-I107 WeakPolarHBondContact O-CB 3.49Å; F103-I107 PolarHBondContact O-N 3.23Å; F103-L108 HydrophobicContact CD1-CD1 3.85Å; F103-L108 HydrophobicContact CD1-CG 4.11Å; F103-L108 HydrophobicContact CE1-CD1 3.36Å; F103-L108 HydrophobicContact CE1-CD2 4.09Å; F103-L108 HydrophobicContact CE1-CG 3.56Å; F103-L108 HydrophobicContact CZ-CD1 4.16Å; F103-L108 HydrophobicContact CZ-CD2 4.04Å; F103-L108 HydrophobicContact CZ-CG 3.91Å; F103-L108 PolarHBondContact O-N 2.75Å; F103-W119 HydrophobicContact CE1-CZ3 4.41Å; F103-F123 AromaticContact CD1-CE2 3.9Å; F103-F123 HydrophobicContact CD1-CE2 3.9Å; F103-F123 AromaticContact CD1-CZ 3.56Å; F103-F123 HydrophobicContact CD1-CZ 3.56Å; F103-F123 HydrophobicContact CE1-CE2 4.14Å; F103-F123 AromaticContact CE1-CZ 3.57Å; F103-F123 HydrophobicContact CE1-CZ 3.57Å; F103-F189 HydrophobicContact CE2-CD1 4.36Å; F103-F189 HydrophobicContact CZ-CB 4.12Å; F103-F189 HydrophobicContact CZ-CD1 4.25Å; F103-F189 HydrophobicContact CZ-CD2 4.34Å; F103-F189 AromaticContact CZ-CG 3.99Å; F103-F189 HydrophobicContact CZ-CG 3.99Å; F103-M255 HydrophobicContact CD2-SD 3.51Å; F103-M255 VanDerWaalsContact CD2-SD 3.51Å; F103-M255 HydrophobicContact CE2-CG 4.17Å; F103-M255 HydrophobicContact CE2-SD 3.48Å; F103-M255 WeakPolarHBondContact CE2-SD 3.37Å
104	I	87.9	Confident	85.4	Confident	13 Å²	13	59.3 Å²	59.3	7%	0.067	30%	0.304	C	S	.	.	I	π-helix	trans	-62.5	-56.6	-177.7	-67.1	165.2	0	0	0	111.4	K100 H109 V110 L116 W119 F123	K100-I104 VanDerWaalsContact O-CG1 3.27Å; K100-I104 WeakPolarHBondContact O-CG1 3.46Å; K100-I104 PolarHBondContact O-N 3.07Å; I104-H109 PolarHBondContact O-N 3.37Å; I104-V110 HydrophobicContact CG2-CB 4.16Å; I104-V110 HydrophobicContact CG2-CG2 4.08Å; I104-V110 PolarHBondContact O-N 3.4Å; I104-L116 HydrophobicContact CG2-CD1 3.56Å; I104-W119 HydrophobicContact CD1-CB 4.48Å; I104-W119 HydrophobicContact CG1-CB 4.44Å; I104-F123 HydrophobicContact CD1-CD2 3.95Å; I104-F123 HydrophobicContact CD1-CE2 4.14Å; I104-F123 HydrophobicContact CG1-CD2 4.25Å; I104-F123 HydrophobicContact CG1-CE2 3.91Å
105	Y	84.8	Confident	85.8	Confident	118 Å²	118	60.5 Å²	60.5	46%	0.463	30%	0.304	S	S	.	.	I	π-helix	trans	-80.6	-23.4	-174	-66.1	-66.7	0	0	0	113.6	V101	V101-Y105 HydrophobicContact CG1-CD2 3.96Å; V101-Y105 HydrophobicContact CG1-CE2 4.24Å; V101-Y105 WeakPolarHBondContact O-CD2 3.33Å; V101-Y105 PolarHBondContact O-N 3.22Å
106	G	81.9	Confident	86.2	Confident	26 Å²	26	60.5 Å²	60.5	27%	0.268	30%	0.301	S	S	.	.	I	π-helix	trans	-100.4	-30.8	-174.6	0	0	0	0	0	115.7	V102 S266	V102-G106 VanDerWaalsContact O-CA 3.25Å; V102-G106 WeakPolarHBondContact O-CA 3.23Å; V102-G106 PolarHBondContact O-N 3.19Å; G106-S266 VanDerWaalsContact C-CB 3.44Å; G106-S266 WeakPolarHBondContact O-CB 3.46Å; G106-S266 PolarHBondContact O-OG 3.33Å
107	I	85.3	Confident	86.3	Confident	16 Å²	16	61.4 Å²	61.4	8%	0.082	31%	0.307	C	S	.	.	I	π-helix	trans	-117.2	-41.7	-171.3	-58.6	174.4	0	0	0	111.6	F103 M255 V270	F103-I107 HydrophobicContact CD2-CB 4.21Å; F103-I107 HydrophobicContact CD2-CD1 4.06Å; F103-I107 HydrophobicContact CD2-CG2 4.39Å; F103-I107 HydrophobicContact CE2-CB 4.48Å; F103-I107 HydrophobicContact CE2-CG2 4.22Å; F103-I107 WeakPolarHBondContact O-CA 3.45Å; F103-I107 WeakPolarHBondContact O-CB 3.49Å; F103-I107 PolarHBondContact O-N 3.23Å; I107-M255 HydrophobicContact CD1-CB 4.5Å; I107-M255 HydrophobicContact CD1-CE 4.2Å; I107-M255 HydrophobicContact CD1-SD 3.51Å; I107-M255 VanDerWaalsContact CD1-SD 3.51Å; I107-M255 HydrophobicContact CG2-CB 4.25Å; I107-M255 HydrophobicContact CG2-CG 4.28Å; I107-M255 HydrophobicContact CG2-SD 4.33Å; I107-V270 HydrophobicContact CD1-CG2 3.48Å; I107-V270 VanDerWaalsContact CD1-CG2 3.48Å; I107-V270 HydrophobicContact CG1-CG2 4.47Å
108	L	86	Confident	86.6	Confident	36 Å²	36	62.2 Å²	62.2	19%	0.188	31%	0.312	C	S	.	.	I	π-helix	trans	-80.6	-30	170.6	-66.8	176.7	0	0	0	112.5	F103 V110 W119 F189	F103-L108 HydrophobicContact CD1-CD1 3.85Å; F103-L108 HydrophobicContact CD1-CG 4.11Å; F103-L108 HydrophobicContact CE1-CD1 3.36Å; F103-L108 HydrophobicContact CE1-CD2 4.09Å; F103-L108 HydrophobicContact CE1-CG 3.56Å; F103-L108 HydrophobicContact CZ-CD1 4.16Å; F103-L108 HydrophobicContact CZ-CD2 4.04Å; F103-L108 HydrophobicContact CZ-CG 3.91Å; F103-L108 PolarHBondContact O-N 2.75Å; L108-V110 HydrophobicContact CB-CG2 3.57Å; L108-V110 HydrophobicContact CD1-CG2 4.1Å; L108-V110 PolarHBondContact O-N 3.32Å; L108-W119 HydrophobicContact CD1-CD2 3.48Å; L108-W119 VanDerWaalsContact CD1-CD2 3.48Å; L108-W119 HydrophobicContact CD1-CE3 3.93Å; L108-W119 HydrophobicContact CD1-CG 3.89Å; L108-W119 HydrophobicContact CD1-CH2 4.09Å; L108-W119 HydrophobicContact CD1-CZ2 3.66Å; L108-W119 HydrophobicContact CD1-CZ3 4.21Å; L108-W119 HydrophobicContact CD2-CH2 4.29Å; L108-W119 HydrophobicContact CD2-CZ2 3.89Å; L108-W119 HydrophobicContact CG-CZ2 4.44Å; L108-F189 HydrophobicContact CD2-CD2 4.02Å; L108-F189 HydrophobicContact CD2-CE2 4.17Å
109	H	85.3	Confident	87	Confident	130 Å²	130	60.1 Å²	60.1	60%	0.602	30%	0.302	S	S	*	.			trans	55.6	46.4	-177.2	-165.1	44.6	0	0	0	113	I104 E111	I104-H109 PolarHBondContact O-N 3.37Å; H109-E111 PolarHBondContact O-N 3.22Å
110	V	87	Confident	87.4	Confident	8 Å²	8	58.9 Å²	58.9	5%	0.048	30%	0.302	C	S	.	.			trans	-73.1	109.8	-175.2	-170.8	0	0	0	0	111.4	I104 L108 E115 L116	I104-V110 HydrophobicContact CG2-CB 4.16Å; I104-V110 HydrophobicContact CG2-CG2 4.08Å; I104-V110 PolarHBondContact O-N 3.4Å; L108-V110 HydrophobicContact CB-CG2 3.57Å; L108-V110 HydrophobicContact CD1-CG2 4.1Å; L108-V110 PolarHBondContact O-N 3.32Å; V110-E115 HydrophobicContact CG1-CB 3.74Å; V110-E115 HydrophobicContact CG1-CG 4.06Å; V110-L116 HydrophobicContact CG1-CB 4Å
111	E	85.2	Confident	87.6	Confident	166 Å²	166	61.4 Å²	61.4	78%	0.776	32%	0.319	S	S	*	.			trans	-92.2	-27.3	175.1	-57.5	-166.8	130.1	0	0	113.1	H109	H109-E111 PolarHBondContact O-N 3.22Å
112	V	88.2	Confident	88	Confident	90 Å²	90	59 Å²	59	55%	0.545	30%	0.302	S	S	.	.			trans	-86.5	121.6	-172.9	-178.1	0	0	0	0	111.3	H114 E115 L116	V112-H114 VanDerWaalsContact C-N 3.28Å; V112-H114 HydrophobicContact CG1-CB 4.28Å; V112-H114 PolarHBondContact O-N 2.67Å; V112-E115 HydrophobicContact CB-CB 4.39Å; V112-E115 PolarHBondContact O-N 2.87Å; V112-L116 PolarHBondContact O-N 2.86Å
113	L	85.5	Confident	88.5	Confident	95 Å²	95	58.6 Å²	58.6	50%	0.497	30%	0.299	S	S	.	.	H	α-helix	trans	-54.5	-38.4	-177.8	-179.9	61.6	0	0	0	113.9	F55 L116 L117	F55-L113 HydrophobicContact CE1-CD2 4.28Å; F55-L113 HydrophobicContact CZ-CD2 4.24Å; F55-L113 HydrophobicContact CZ-CG 4.38Å; L113-L116 HydrophobicContact CD1-CD2 4.36Å; L113-L116 PolarHBondContact O-N 3.46Å; L113-L117 WeakPolarHBondContact O-CB 3.41Å; L113-L117 PolarHBondContact O-N 3.46Å
114	H	85.4	Confident	88.8	Confident	131 Å²	131	60 Å²	60	61%	0.606	31%	0.308	S	S	*	.	H	α-helix	trans	-64.2	-44.6	177.1	175	-98.4	0	0	0	112.2	V112 L117 L118	V112-H114 VanDerWaalsContact C-N 3.28Å; V112-H114 HydrophobicContact CG1-CB 4.28Å; V112-H114 PolarHBondContact O-N 2.67Å; H114-L117 PolarHBondContact O-N 3.03Å; H114-L118 WeakPolarHBondContact O-CG 3.46Å; H114-L118 PolarHBondContact O-N 3.35Å; H114-L118 VanDerWaalsContact O-N 3.12Å
115	E	89.4	Confident	89.2	Confident	75 Å²	75	62.6 Å²	62.6	35%	0.35	32%	0.321	S	S	.	.	H	α-helix	trans	-68.5	-39.5	176.8	-163.3	-159.4	153	0	0	111	V110 V112 L117 L118 W119	V110-E115 HydrophobicContact CG1-CB 3.74Å; V110-E115 HydrophobicContact CG1-CG 4.06Å; V112-E115 HydrophobicContact CB-CB 4.39Å; V112-E115 PolarHBondContact O-N 2.87Å; E115-L117 VanDerWaalsContact C-N 3.26Å; E115-L117 PolarHBondContact O-N 2.9Å; E115-L118 PolarHBondContact O-N 3.45Å; E115-L118 VanDerWaalsContact O-N 3.12Å; E115-W119 VanDerWaalsContact O-CD1 3.24Å; E115-W119 PolarHBondContact O-N 3.45Å; E115-W119 PolarHBondContact OE1-NE1 3.3Å
116	L	90.2	Very high	89.7	Confident	36 Å²	36	57.3 Å²	57.3	19%	0.188	30%	0.301	C	S	.	.	H	α-helix	trans	-57	-40.1	173.9	175.3	61.6	0	0	0	111.4	I104 V110 V112 L113 A120	I104-L116 HydrophobicContact CG2-CD1 3.56Å; V110-L116 HydrophobicContact CG1-CB 4Å; V112-L116 PolarHBondContact O-N 2.86Å; L113-L116 HydrophobicContact CD1-CD2 4.36Å; L113-L116 PolarHBondContact O-N 3.46Å; L116-A120 WeakPolarHBondContact O-CB 3.4Å; L116-A120 PolarHBondContact O-N 2.95Å
117	L	89.1	Confident	90.2	Very high	50 Å²	50	56.4 Å²	56.4	26%	0.262	29%	0.292	S	S	.	.	H	α-helix	trans	-68.5	-38.5	176	-174.8	64.6	0	0	0	112.5	F55 I59 L113 H114 E115 A120 T121	F55-L117 HydrophobicContact CE2-CD2 3.81Å; F55-L117 HydrophobicContact CZ-CD2 3.98Å; I59-L117 HydrophobicContact CD1-CD1 3.83Å; I59-L117 HydrophobicContact CG1-CD1 4.17Å; L113-L117 WeakPolarHBondContact O-CB 3.41Å; L113-L117 PolarHBondContact O-N 3.46Å; H114-L117 PolarHBondContact O-N 3.03Å; E115-L117 VanDerWaalsContact C-N 3.26Å; E115-L117 PolarHBondContact O-N 2.9Å; L117-A120 PolarHBondContact O-N 3.48Å; L117-T121 HydrophobicContact CD1-CG2 4.23Å; L117-T121 HydrophobicContact CG-CG2 4.45Å; L117-T121 WeakPolarHBondContact O-CB 3.43Å; L117-T121 WeakPolarHBondContact O-CG2 3.21Å; L117-T121 PolarHBondContact O-N 3.47Å; L117-T121 PolarHBondContact O-OG1 3.22Å
118	L	91.9	Very high	90.6	Very high	97 Å²	97	57.8 Å²	57.8	51%	0.508	30%	0.297	S	S	.	.	H	α-helix	trans	-63	-45.6	174.7	-69.1	175.4	0	0	0	111.5	H114 E115 T121 W122	H114-L118 WeakPolarHBondContact O-CG 3.46Å; H114-L118 PolarHBondContact O-N 3.35Å; H114-L118 VanDerWaalsContact O-N 3.12Å; E115-L118 PolarHBondContact O-N 3.45Å; E115-L118 VanDerWaalsContact O-N 3.12Å; L118-T121 PolarHBondContact O-OG1 3.09Å; L118-W122 VanDerWaalsContact O-CB 3.3Å; L118-W122 WeakPolarHBondContact O-CB 3.45Å; L118-W122 PolarHBondContact O-N 3.19Å
119	W	93.6	Very high	91	Very high	16 Å²	16	56.6 Å²	56.6	6%	0.061	29%	0.291	C	S	.	.	H	α-helix	trans	-65.3	-42.2	173.6	-73.3	111.4	0	0	0	112.4	F103 I104 L108 E115 W122 F123 T186 F189 M190	F103-W119 HydrophobicContact CE1-CZ3 4.41Å; I104-W119 HydrophobicContact CD1-CB 4.48Å; I104-W119 HydrophobicContact CG1-CB 4.44Å; L108-W119 HydrophobicContact CD1-CD2 3.48Å; L108-W119 VanDerWaalsContact CD1-CD2 3.48Å; L108-W119 HydrophobicContact CD1-CE3 3.93Å; L108-W119 HydrophobicContact CD1-CG 3.89Å; L108-W119 HydrophobicContact CD1-CH2 4.09Å; L108-W119 HydrophobicContact CD1-CZ2 3.66Å; L108-W119 HydrophobicContact CD1-CZ3 4.21Å; L108-W119 HydrophobicContact CD2-CH2 4.29Å; L108-W119 HydrophobicContact CD2-CZ2 3.89Å; L108-W119 HydrophobicContact CG-CZ2 4.44Å; E115-W119 VanDerWaalsContact O-CD1 3.24Å; E115-W119 PolarHBondContact O-N 3.45Å; E115-W119 PolarHBondContact OE1-NE1 3.3Å; W119-W122 PolarHBondContact O-N 2.91Å; W119-F123 HydrophobicContact CB-CD2 4.31Å; W119-F123 HydrophobicContact CB-CE2 4.11Å; W119-F123 HydrophobicContact CD2-CE2 4.33Å; W119-F123 AromaticContact CE3-CE2 3.62Å; W119-F123 HydrophobicContact CE3-CE2 3.62Å; W119-F123 AromaticContact CE3-CZ 3.71Å; W119-F123 HydrophobicContact CE3-CZ 3.71Å; W119-F123 HydrophobicContact CZ3-CE2 4.41Å; W119-F123 HydrophobicContact CZ3-CZ 4.05Å; W119-F123 WeakPolarHBondContact O-CD2 3.23Å; W119-F123 WeakPolarHBondContact O-CG 3.49Å; W119-F123 PolarHBondContact O-N 3.12Å; W119-T186 HydrophobicContact CH2-CG2 4.3Å; W119-T186 HydrophobicContact CZ2-CG2 4.24Å; W119-F189 HydrophobicContact CH2-CB 4.48Å; W119-M190 HydrophobicContact CE3-SD 4.27Å; W119-M190 HydrophobicContact CH2-CG 4.27Å; W119-M190 HydrophobicContact CH2-SD 3.82Å; W119-M190 HydrophobicContact CZ3-CG 4.38Å; W119-M190 HydrophobicContact CZ3-SD 3.48Å; W119-M190 WeakPolarHBondContact CZ3-SD 3.4Å
120	A	92.1	Very high	91.4	Very high	27 Å²	27	55.1 Å²	55.1	22%	0.223	28%	0.28	C	S	.	.	H	α-helix	trans	-64	-41.9	179.5	0	0	0	0	0	112.5	L116 L117 T124	L116-A120 WeakPolarHBondContact O-CB 3.4Å; L116-A120 PolarHBondContact O-N 2.95Å; L117-A120 PolarHBondContact O-N 3.48Å; A120-T124 WeakPolarHBondContact O-CB 3.12Å; A120-T124 PolarHBondContact O-N 3.21Å; A120-T124 PolarHBondContact O-OG1 3.4Å
121	T	92.7	Very high	91.7	Very high	65 Å²	65	56.6 Å²	56.6	40%	0.399	29%	0.288	S	S	.	.	H	α-helix	trans	-67.1	-43.2	175.7	49.9	0	0	0	0	111.6	L117 L118 T124 I125	L117-T121 HydrophobicContact CD1-CG2 4.23Å; L117-T121 HydrophobicContact CG-CG2 4.45Å; L117-T121 WeakPolarHBondContact O-CB 3.43Å; L117-T121 WeakPolarHBondContact O-CG2 3.21Å; L117-T121 PolarHBondContact O-N 3.47Å; L117-T121 PolarHBondContact O-OG1 3.22Å; L118-T121 PolarHBondContact O-OG1 3.09Å; T121-T124 WeakPolarHBondContact O-CB 3.31Å; T121-T124 PolarHBondContact O-N 3.43Å; T121-I125 WeakPolarHBondContact O-CG1 3.45Å; T121-I125 PolarHBondContact O-N 3.04Å
122	W	94.8	Very high	92.1	Very high	22 Å²	22	49.4 Å²	49.4	8%	0.083	25%	0.254	C	S	.	.	H	α-helix	trans	-56.2	-52.4	173.3	178.3	-108.7	0	0	0	112.7	L118 W119 T124 I125 L126 L171 I174 S175 M190 V194	L118-W122 VanDerWaalsContact O-CB 3.3Å; L118-W122 WeakPolarHBondContact O-CB 3.45Å; L118-W122 PolarHBondContact O-N 3.19Å; W119-W122 PolarHBondContact O-N 2.91Å; W122-T124 VanDerWaalsContact C-N 3.31Å; W122-T124 PolarHBondContact O-N 3.07Å; W122-I125 PolarHBondContact O-N 3.16Å; W122-L126 HydrophobicContact CD2-CD1 4.08Å; W122-L126 VanDerWaalsContact CE2-CD1 3.49Å; W122-L126 HydrophobicContact CG-CD1 4.18Å; W122-L126 HydrophobicContact CZ2-CD1 3.99Å; W122-L126 PolarHBondContact O-N 3.22Å; W122-L171 HydrophobicContact CE3-CD2 4.44Å; W122-L171 HydrophobicContact CH2-CB 4.06Å; W122-L171 HydrophobicContact CH2-CD2 4.14Å; W122-L171 HydrophobicContact CZ3-CB 4.43Å; W122-L171 HydrophobicContact CZ3-CD2 3.68Å; W122-I174 HydrophobicContact CZ3-CG2 4.22Å; W122-S175 VanDerWaalsContact CH2-OG 3.31Å; W122-S175 WeakPolarHBondContact CH2-OG 3.4Å; W122-M190 HydrophobicContact CD2-CE 3.46Å; W122-M190 VanDerWaalsContact CD2-CE 3.46Å; W122-M190 HydrophobicContact CD2-SD 3.9Å; W122-M190 HydrophobicContact CE3-CE 3.66Å; W122-M190 HydrophobicContact CG-CE 4.06Å; W122-M190 HydrophobicContact CG-SD 4.06Å; W122-M190 HydrophobicContact CH2-CE 3.8Å; W122-M190 HydrophobicContact CZ2-CB 4.05Å; W122-M190 HydrophobicContact CZ2-CE 3.59Å; W122-M190 HydrophobicContact CZ2-SD 3.92Å; W122-M190 HydrophobicContact CZ3-CE 3.81Å; W122-M190 PolarHBondContact NE1-SD 3.34Å; W122-V194 HydrophobicContact CH2-CG2 3.86Å; W122-V194 HydrophobicContact CZ2-CG2 3.68Å
123	F	95	Very high	92.3	Very high	9 Å²	9	45.2 Å²	45.2	4%	0.039	23%	0.229	C	C	.	.	H	α-helix	trans	-68.8	-27.7	178.6	-68.2	-53.3	0	0	0	113.4	F96 K100 F103 I104 W119 L126 G127 E193	F96-F123 WeakPolarHBondContact CE1-O 3.15Å; F96-F123 HydrophobicContact CZ-CB 4.5Å; F96-F123 WeakPolarHBondContact CZ-O 3.42Å; K100-F123 HydrophobicContact CB-CD2 4.42Å; K100-F123 HydrophobicContact CB-CG 4.36Å; K100-F123 HydrophobicContact CD-CD1 3.58Å; K100-F123 HydrophobicContact CD-CD2 4.45Å; K100-F123 HydrophobicContact CD-CE1 3.69Å; K100-F123 HydrophobicContact CD-CG 4Å; K100-F123 HydrophobicContact CD-CZ 4.2Å; K100-F123 HydrophobicContact CG-CB 4.22Å; K100-F123 HydrophobicContact CG-CD1 4.02Å; K100-F123 HydrophobicContact CG-CD2 4.5Å; K100-F123 HydrophobicContact CG-CG 4Å; F103-F123 AromaticContact CD1-CE2 3.9Å; F103-F123 HydrophobicContact CD1-CE2 3.9Å; F103-F123 AromaticContact CD1-CZ 3.56Å; F103-F123 HydrophobicContact CD1-CZ 3.56Å; F103-F123 HydrophobicContact CE1-CE2 4.14Å; F103-F123 AromaticContact CE1-CZ 3.57Å; F103-F123 HydrophobicContact CE1-CZ 3.57Å; I104-F123 HydrophobicContact CD1-CD2 3.95Å; I104-F123 HydrophobicContact CD1-CE2 4.14Å; I104-F123 HydrophobicContact CG1-CD2 4.25Å; I104-F123 HydrophobicContact CG1-CE2 3.91Å; W119-F123 HydrophobicContact CB-CD2 4.31Å; W119-F123 HydrophobicContact CB-CE2 4.11Å; W119-F123 HydrophobicContact CD2-CE2 4.33Å; W119-F123 AromaticContact CE3-CE2 3.62Å; W119-F123 HydrophobicContact CE3-CE2 3.62Å; W119-F123 AromaticContact CE3-CZ 3.71Å; W119-F123 HydrophobicContact CE3-CZ 3.71Å; W119-F123 HydrophobicContact CZ3-CE2 4.41Å; W119-F123 HydrophobicContact CZ3-CZ 4.05Å; W119-F123 WeakPolarHBondContact O-CD2 3.23Å; W119-F123 WeakPolarHBondContact O-CG 3.49Å; W119-F123 PolarHBondContact O-N 3.12Å; F123-L126 HydrophobicContact CD1-CD1 4.4Å; F123-G127 WeakPolarHBondContact O-CA 3.49Å; F123-G127 PolarHBondContact O-N 3.36Å; F123-E193 HydrophobicContact CE1-CG 4.09Å
124	T	94.4	Very high	92.5	Very high	35 Å²	35	41.6 Å²	41.6	22%	0.215	22%	0.215	C	C	.	.	H	α-helix	trans	-65.7	-47	173.3	-67.8	0	0	0	0	111.2	Y63 L66 A120 T121 W122 G127 F128	Y63-T124 HydrophobicContact CD1-CG2 4.28Å; Y63-T124 HydrophobicContact CE1-CG2 3.69Å; Y63-T124 PolarHBondContact OH-OG1 3.02Å; L66-T124 HydrophobicContact CD2-CG2 3.35Å; A120-T124 WeakPolarHBondContact O-CB 3.12Å; A120-T124 PolarHBondContact O-N 3.21Å; A120-T124 PolarHBondContact O-OG1 3.4Å; T121-T124 WeakPolarHBondContact O-CB 3.31Å; T121-T124 PolarHBondContact O-N 3.43Å; W122-T124 VanDerWaalsContact C-N 3.31Å; W122-T124 PolarHBondContact O-N 3.07Å; T124-G127 PolarHBondContact O-N 2.72Å; T124-F128 WeakPolarHBondContact O-CB 3.48Å; T124-F128 PolarHBondContact O-N 2.94Å
125	I	95.1	Very high	92.8	Very high	67 Å²	67	35.9 Å²	35.9	34%	0.344	19%	0.188	S	C	.	.	H	α-helix	trans	-61.8	-49.6	176.6	-67.3	165.5	0	0	0	110.4	T121 W122 G127 F128 L129 F167 L171	T121-I125 WeakPolarHBondContact O-CG1 3.45Å; T121-I125 PolarHBondContact O-N 3.04Å; W122-I125 PolarHBondContact O-N 3.16Å; I125-G127 PolarHBondContact O-N 3.01Å; I125-F128 PolarHBondContact O-N 3.03Å; I125-L129 HydrophobicContact CG2-CD1 3.89Å; I125-L129 WeakPolarHBondContact O-CD1 3.4Å; I125-L129 VanDerWaalsContact O-CG 3.26Å; I125-L129 WeakPolarHBondContact O-CG 3.48Å; I125-L129 PolarHBondContact O-N 3.45Å; I125-L129 VanDerWaalsContact O-N 3.12Å; I125-F167 HydrophobicContact CG2-CE1 3.7Å; I125-F167 HydrophobicContact CG2-CZ 4.12Å; I125-L171 HydrophobicContact CG2-CD1 4.36Å; I125-L171 HydrophobicContact CG2-CD2 4.33Å
126	L	95.1	Very high	92.9	Very high	6 Å²	6	32.3 Å²	32.3	3%	0.031	17%	0.172	C	C	.	.	H	α-helix	trans	-62.6	-42.3	177.9	-76.6	167.1	0	0	0	113.1	W122 F123 L129 R130 L171 E193 V194 L197	W122-L126 HydrophobicContact CD2-CD1 4.08Å; W122-L126 VanDerWaalsContact CE2-CD1 3.49Å; W122-L126 HydrophobicContact CG-CD1 4.18Å; W122-L126 HydrophobicContact CZ2-CD1 3.99Å; W122-L126 PolarHBondContact O-N 3.22Å; F123-L126 HydrophobicContact CD1-CD1 4.4Å; L126-L129 PolarHBondContact O-N 3.41Å; L126-R130 VanDerWaalsContact O-CB 3.27Å; L126-R130 WeakPolarHBondContact O-CB 3.48Å; L126-R130 PolarHBondContact O-N 2.89Å; L126-L171 HydrophobicContact CD2-CD1 3.81Å; L126-L171 HydrophobicContact CG-CD1 4.47Å; L126-E193 HydrophobicContact CD1-CB 3.63Å; L126-E193 HydrophobicContact CD1-CG 4.26Å; L126-E193 HydrophobicContact CD2-CB 4.49Å; L126-V194 HydrophobicContact CD2-CG2 4.12Å; L126-L197 HydrophobicContact CD2-CD2 4.12Å
127	G	93.2	Very high	92.8	Very high	7 Å²	7	33.2 Å²	33.2	7%	0.072	17%	0.173	C	C	.	.	H	α-helix	trans	-62.2	-44.8	178.6	0	0	0	0	0	111.9	F96 F123 T124 I125 R130 L131	F96-G127 VanDerWaalsContact CZ-CA 3.44Å; F123-G127 WeakPolarHBondContact O-CA 3.49Å; F123-G127 PolarHBondContact O-N 3.36Å; T124-G127 PolarHBondContact O-N 2.72Å; I125-G127 PolarHBondContact O-N 3.01Å; G127-R130 PolarHBondContact O-N 2.9Å; G127-L131 WeakPolarHBondContact O-CG 3.21Å; G127-L131 PolarHBondContact O-N 3.47Å
128	F	94.1	Very high	92.7	Very high	45 Å²	45	32.3 Å²	32.3	20%	0.197	17%	0.168	C	C	.	.	H	α-helix	trans	-57.2	-50.8	174	171.8	-108.7	0	0	0	112.2	L66 A70 L73 T124 I125 R130 L131 L132	L66-F128 HydrophobicContact CD1-CB 4.11Å; L66-F128 HydrophobicContact CD1-CD1 4.08Å; L66-F128 HydrophobicContact CD1-CD2 4.1Å; L66-F128 HydrophobicContact CD1-CG 3.8Å; L66-F128 HydrophobicContact CD2-CB 4.48Å; L66-F128 HydrophobicContact CG-CD2 4.47Å; A70-F128 HydrophobicContact CB-CD2 4.28Å; A70-F128 HydrophobicContact CB-CE2 3.62Å; L73-F128 HydrophobicContact CD1-CE1 4.42Å; L73-F128 HydrophobicContact CD1-CZ 3.84Å; T124-F128 WeakPolarHBondContact O-CB 3.48Å; T124-F128 PolarHBondContact O-N 2.94Å; I125-F128 PolarHBondContact O-N 3.03Å; F128-R130 PolarHBondContact O-N 2.99Å; F128-L131 PolarHBondContact O-N 2.92Å; F128-L132 HydrophobicContact CE1-CD2 4.27Å; F128-L132 HydrophobicContact CZ-CD2 4.03Å; F128-L132 WeakPolarHBondContact O-CB 3.42Å; F128-L132 PolarHBondContact O-N 2.91Å
129	L	94.6	Very high	92.5	Very high	11 Å²	11	29.5 Å²	29.5	6%	0.058	15%	0.151	C	C	.	.	H	α-helix	trans	-62.7	-42.9	179.7	-64.5	162	0	0	0	111.9	I125 L126 L131 L132 T133 L164 F167 L171 L197	I125-L129 HydrophobicContact CG2-CD1 3.89Å; I125-L129 WeakPolarHBondContact O-CD1 3.4Å; I125-L129 VanDerWaalsContact O-CG 3.26Å; I125-L129 WeakPolarHBondContact O-CG 3.48Å; I125-L129 PolarHBondContact O-N 3.45Å; I125-L129 VanDerWaalsContact O-N 3.12Å; L126-L129 PolarHBondContact O-N 3.41Å; L129-L131 PolarHBondContact O-N 3.45Å; L129-L132 PolarHBondContact O-N 3.1Å; L129-T133 PolarHBondContact O-N 3.36Å; L129-T133 PolarHBondContact O-OG1 3.31Å; L129-L164 HydrophobicContact CD2-CD2 3.52Å; L129-F167 HydrophobicContact CD1-CD1 3.5Å; L129-F167 VanDerWaalsContact CD1-CD1 3.5Å; L129-F167 HydrophobicContact CD1-CE1 3.63Å; L129-F167 HydrophobicContact CD2-CD1 4.1Å; L129-F167 HydrophobicContact CG-CD1 4.45Å; L129-L171 HydrophobicContact CD1-CD1 3.66Å; L129-L197 HydrophobicContact CB-CD1 3.93Å; L129-L197 HydrophobicContact CB-CD2 3.72Å; L129-L197 HydrophobicContact CD1-CD2 3.8Å; L129-L197 HydrophobicContact CG-CD2 4.38Å
130	R	93.7	Very high	91.8	Very high	99 Å²	99	28.9 Å²	28.9	37%	0.374	15%	0.149	S	C	.	.	H	α-helix	trans	-63.1	-40.1	178.7	-171.9	172.8	-177.4	153.2	1.9	112.1	L126 G127 F128 G134	L126-R130 VanDerWaalsContact O-CB 3.27Å; L126-R130 WeakPolarHBondContact O-CB 3.48Å; L126-R130 PolarHBondContact O-N 2.89Å; G127-R130 PolarHBondContact O-N 2.9Å; F128-R130 PolarHBondContact O-N 2.99Å; R130-G134 PolarHBondContact O-N 2.89Å
131	L	92.7	Very high	91.4	Very high	40 Å²	40	29.2 Å²	29.2	21%	0.209	15%	0.146	C	C	.	.	H	α-helix	trans	-67.4	-42.8	173.6	-70.2	176.7	0	0	0	112	I89 N92 F93 G127 F128 L129 G134 L135	I89-L131 HydrophobicContact CG2-CD2 4.39Å; N92-L131 HydrophobicContact CB-CD2 4Å; F93-L131 HydrophobicContact CB-CD1 4.05Å; F93-L131 HydrophobicContact CB-CD2 4.27Å; F93-L131 HydrophobicContact CD2-CD1 3.74Å; F93-L131 HydrophobicContact CG-CD1 4.18Å; G127-L131 WeakPolarHBondContact O-CG 3.21Å; G127-L131 PolarHBondContact O-N 3.47Å; F128-L131 PolarHBondContact O-N 2.92Å; L129-L131 PolarHBondContact O-N 3.45Å; L131-G134 PolarHBondContact O-N 3.32Å; L131-L135 PolarHBondContact O-N 3.39Å
132	L	92.7	Very high	90.8	Very high	15 Å²	15	31.3 Å²	31.3	8%	0.079	15%	0.147	C	C	.	.	H	α-helix	trans	-63.5	-43.5	177.8	-178.3	54	0	0	0	111.7	L73 F78 F128 L129 G134 L135 I136 L160 L164	L73-L132 HydrophobicContact CD1-CD2 4.18Å; F78-L132 HydrophobicContact CE2-CD1 3.89Å; F78-L132 HydrophobicContact CZ-CD1 4.1Å; F128-L132 HydrophobicContact CE1-CD2 4.27Å; F128-L132 HydrophobicContact CZ-CD2 4.03Å; F128-L132 WeakPolarHBondContact O-CB 3.42Å; F128-L132 PolarHBondContact O-N 2.91Å; L129-L132 PolarHBondContact O-N 3.1Å; L132-G134 VanDerWaalsContact C-N 3.34Å; L132-G134 PolarHBondContact O-N 2.92Å; L132-L135 PolarHBondContact O-N 3.35Å; L132-I136 WeakPolarHBondContact O-CG1 3.49Å; L132-I136 PolarHBondContact O-N 2.91Å; L132-L160 HydrophobicContact CD1-CD2 4.45Å; L132-L164 HydrophobicContact CD2-CD2 4.16Å; L132-L164 HydrophobicContact CG-CD1 4.42Å
133	T	93	Very high	90	Very high	1 Å²	1	30.9 Å²	30.9	1%	0.006	15%	0.147	C	C	.	.	H	α-helix	trans	-63.9	-38.6	172.9	-46.2	0	0	0	0	112	L129 I136 R137 V200 T201 V204	L129-T133 PolarHBondContact O-N 3.36Å; L129-T133 PolarHBondContact O-OG1 3.31Å; T133-I136 PolarHBondContact O-N 2.71Å; T133-R137 PolarHBondContact O-N 3.42Å; T133-V200 HydrophobicContact CG2-CG1 3.82Å; T133-T201 HydrophobicContact CG2-CG2 3.61Å; T133-T201 WeakPolarHBondContact OG1-CG2 3.45Å; T133-V204 HydrophobicContact CG2-CG2 4.29Å
134	G	91	Very high	88.8	Confident	20 Å²	20	30.7 Å²	30.7	21%	0.206	15%	0.146	C	C	.	.	H	α-helix	trans	-59.3	-44.2	173.5	0	0	0	0	0	112.8	R130 L131 L132 I136 R137 D138	R130-G134 PolarHBondContact O-N 2.89Å; L131-G134 PolarHBondContact O-N 3.32Å; L132-G134 VanDerWaalsContact C-N 3.34Å; L132-G134 PolarHBondContact O-N 2.92Å; G134-I136 VanDerWaalsContact C-N 3.33Å; G134-I136 PolarHBondContact O-N 3.22Å; G134-R137 PolarHBondContact O-N 3.07Å; G134-D138 PolarHBondContact O-N 3.46Å
135	L	91	Very high	87.4	Confident	10 Å²	10	33.7 Å²	33.7	5%	0.052	15%	0.154	C	C	.	.	H	α-helix	trans	-62.9	-37.6	174	178	56.4	0	0	0	112	F78 L81 E85 I89 L131 L132 D138 R139	F78-L135 HydrophobicContact CD1-CD1 4.29Å; F78-L135 HydrophobicContact CD1-CD2 4.05Å; F78-L135 HydrophobicContact CD1-CG 3.81Å; F78-L135 HydrophobicContact CD2-CD2 3.87Å; F78-L135 HydrophobicContact CD2-CG 4.47Å; F78-L135 HydrophobicContact CE1-CD2 4.15Å; F78-L135 HydrophobicContact CE1-CG 3.71Å; F78-L135 HydrophobicContact CE2-CD2 3.94Å; F78-L135 HydrophobicContact CE2-CG 4.37Å; F78-L135 HydrophobicContact CG-CD2 3.93Å; F78-L135 HydrophobicContact CG-CG 4.21Å; F78-L135 HydrophobicContact CZ-CD2 4.08Å; F78-L135 HydrophobicContact CZ-CG 4Å; L81-L135 HydrophobicContact CD1-CD1 3.63Å; L81-L135 HydrophobicContact CD1-CD2 3.83Å; L81-L135 HydrophobicContact CD1-CG 4.4Å; E85-L135 HydrophobicContact CB-CD1 4.2Å; E85-L135 HydrophobicContact CG-CD1 4.18Å; I89-L135 HydrophobicContact CD1-CB 4.26Å; I89-L135 HydrophobicContact CD1-CD1 4.18Å; I89-L135 HydrophobicContact CD1-CD2 4.44Å; L131-L135 PolarHBondContact O-N 3.39Å; L132-L135 PolarHBondContact O-N 3.35Å; L135-D138 PolarHBondContact O-N 2.68Å; L135-R139 VanDerWaalsContact O-CB 3.26Å; L135-R139 WeakPolarHBondContact O-CB 3.34Å; L135-R139 PolarHBondContact O-N 3.37Å
136	I	90.4	Very high	86.1	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-64.7	-41.1	173.3	-58.9	159.4	0	0	0	111.2	F78 L132 T133 G134 R139 S140 I157 L160 L164 V204	F78-I136 HydrophobicContact CE1-CG1 3.99Å; F78-I136 HydrophobicContact CZ-CG1 3.64Å; L132-I136 WeakPolarHBondContact O-CG1 3.49Å; L132-I136 PolarHBondContact O-N 2.91Å; T133-I136 PolarHBondContact O-N 2.71Å; G134-I136 VanDerWaalsContact C-N 3.33Å; G134-I136 PolarHBondContact O-N 3.22Å; I136-R139 PolarHBondContact O-N 3.29Å; I136-S140 WeakPolarHBondContact O-CB 3.49Å; I136-S140 PolarHBondContact O-N 2.68Å; I136-S140 PolarHBondContact O-OG 2.74Å; I136-I157 HydrophobicContact CG2-CG2 3.97Å; I136-L160 HydrophobicContact CD1-CD2 3.77Å; I136-L160 HydrophobicContact CD1-CG 3.97Å; I136-L160 HydrophobicContact CG1-CD2 4.01Å; I136-L164 HydrophobicContact CD1-CD1 3.31Å; I136-V204 HydrophobicContact CB-CG1 4.35Å; I136-V204 HydrophobicContact CG2-CG1 3.62Å
137	R	89.5	Confident	84.4	Confident	55 Å²	55	34 Å²	34	21%	0.208	16%	0.162	C	C	.	.	H	α-helix	trans	-59	-53.2	174.1	-170.5	176.8	-179.4	166.2	1.1	110.3	T133 G134 R139 S140 Q141 H203 V204 E237 D241	T133-R137 PolarHBondContact O-N 3.42Å; G134-R137 PolarHBondContact O-N 3.07Å; R137-R139 VanDerWaalsContact C-N 3.33Å; R137-R139 PolarHBondContact O-N 3.25Å; R137-S140 PolarHBondContact O-N 2.91Å; R137-S140 PolarHBondContact O-OG 3.38Å; R137-Q141 HydrophobicContact CG-CG 4.34Å; R137-Q141 VanDerWaalsContact O-CB 3.25Å; R137-Q141 WeakPolarHBondContact O-CB 3.27Å; R137-Q141 WeakPolarHBondContact O-CG 3.3Å; R137-Q141 PolarHBondContact O-N 2.91Å; R137-H203 PolarHBondContact NH2-CE1 3.03Å; R137-V204 HydrophobicContact CB-CG2 3.81Å; R137-V204 HydrophobicContact CG-CG2 4.25Å; R137-E237 IonicContact NH2-OE2 3.94Å; R137-E237 PolarHBondContact NH2-OE2 2.92Å; R137-D241 IonicContact CZ-OD1 3.81Å; R137-D241 IonicContact NH1-OD1 3.83Å; R137-D241 PolarHBondContact NH1-OD1 3.35Å; R137-D241 IonicContact NH2-OD1 3.11Å; R137-D241 PolarHBondContact NH2-OD1 3.35Å; R137-D241 IonicContact NH2-OD2 2.79Å
138	D	86.4	Confident	82.9	Confident	31 Å²	31	39.6 Å²	39.6	17%	0.166	19%	0.19	C	C	.	.	H	α-helix	trans	-61.8	-37.6	-178.8	-85.2	14.6	0	0	0	113.5	R82 E85 H88 G134 L135 Y142	R82-D138 PolarHBondContact NH2-O 3.16Å; E85-D138 HydrophobicContact CG-CB 4.34Å; H88-D138 IonicContact CE1-OD1 2.8Å; H88-D138 PolarHBondContact CE1-OD1 3.22Å; H88-D138 IonicContact CE1-OD2 3.27Å; H88-D138 IonicContact CG-OD2 2.8Å; H88-D138 VanDerWaalsContact ND1-CG 3.34Å; H88-D138 IonicContact ND1-OD1 2.93Å; H88-D138 PolarHBondContact ND1-OD1 3.27Å; H88-D138 IonicContact ND1-OD2 2.81Å; H88-D138 PolarHBondContact ND1-OD2 3.49Å; G134-D138 PolarHBondContact O-N 3.46Å; L135-D138 PolarHBondContact O-N 2.68Å; D138-Y142 WeakPolarHBondContact O-CB 3.3Å; D138-Y142 PolarHBondContact O-N 2.87Å
139	R	87.6	Confident	81.6	Confident	38 Å²	38	40.8 Å²	40.8	14%	0.143	20%	0.195	C	C	.	.	H	α-helix	trans	-74.3	-53.6	177.4	-160.2	76.3	170.4	-154.7	-5.5	110.8	F78 Q80 E85 L135 I136 R137 Q141 Y142 T143 Y153	F78-R139 HydrophobicContact CD1-CB 3.92Å; F78-R139 HydrophobicContact CD1-CG 3.89Å; F78-R139 HydrophobicContact CE1-CB 4.12Å; F78-R139 HydrophobicContact CE1-CG 4.49Å; F78-R139 PolarHBondContact O-NH2 2.8Å; Q80-R139 PolarHBondContact O-NH1 3.11Å; Q80-R139 PolarHBondContact O-NH2 3.17Å; E85-R139 WeakPolarHBondContact OE1-CD 3.42Å; E85-R139 IonicContact OE1-CZ 3.91Å; E85-R139 IonicContact OE1-NE 3.84Å; E85-R139 IonicContact OE1-NH1 3.65Å; E85-R139 PolarHBondContact OE1-NH1 2.78Å; E85-R139 IonicContact OE2-NH1 3.6Å; E85-R139 PolarHBondContact OE2-NH1 2.83Å; L135-R139 VanDerWaalsContact O-CB 3.26Å; L135-R139 WeakPolarHBondContact O-CB 3.34Å; L135-R139 PolarHBondContact O-N 3.37Å; I136-R139 PolarHBondContact O-N 3.29Å; R137-R139 VanDerWaalsContact C-N 3.33Å; R137-R139 PolarHBondContact O-N 3.25Å; R139-Q141 VanDerWaalsContact C-N 3.34Å; R139-Q141 PolarHBondContact O-N 2.99Å; R139-Y142 PolarHBondContact O-N 3.47Å; R139-Y142 VanDerWaalsContact O-N 3.13Å; R139-T143 VanDerWaalsContact O-CB 3.23Å; R139-T143 WeakPolarHBondContact O-CB 3.4Å; R139-T143 PolarHBondContact O-N 2.72Å; R139-T143 PolarHBondContact O-OG1 2.95Å; R139-Y153 VanDerWaalsContact CG-OH 3.29Å; R139-Y153 WeakPolarHBondContact CG-OH 3.38Å
140	S	80	Confident	80.8	Confident	3 Å²	3	43.3 Å²	43.3	2%	0.021	21%	0.214	C	C	.	.	H	α-helix	trans	-59	-43.2	-179.7	60.7	0	0	0	0	112	I136 R137 Y142 T143 L144	I136-S140 WeakPolarHBondContact O-CB 3.49Å; I136-S140 PolarHBondContact O-N 2.68Å; I136-S140 PolarHBondContact O-OG 2.74Å; R137-S140 PolarHBondContact O-N 2.91Å; R137-S140 PolarHBondContact O-OG 3.38Å; S140-Y142 VanDerWaalsContact C-N 3.33Å; S140-Y142 PolarHBondContact O-N 3.09Å; S140-T143 PolarHBondContact O-N 3.18Å; S140-L144 VanDerWaalsContact O-CB 3.29Å; S140-L144 WeakPolarHBondContact O-CB 3.36Å; S140-L144 WeakPolarHBondContact O-CG 3.38Å; S140-L144 PolarHBondContact O-N 3.13Å
141	Q	82.2	Confident	80.2	Confident	34 Å²	34	45 Å²	45	16%	0.159	23%	0.23	C	C	.	.	H	α-helix	trans	-65.3	-29.5	176.7	-74.3	-162.5	-19.2	0	0	114.1	R137 R139 R145 W207 E237	R137-Q141 HydrophobicContact CG-CG 4.34Å; R137-Q141 VanDerWaalsContact O-CB 3.25Å; R137-Q141 WeakPolarHBondContact O-CB 3.27Å; R137-Q141 WeakPolarHBondContact O-CG 3.3Å; R137-Q141 PolarHBondContact O-N 2.91Å; R139-Q141 VanDerWaalsContact C-N 3.34Å; R139-Q141 PolarHBondContact O-N 2.99Å; Q141-R145 VanDerWaalsContact O-CD 3.27Å; Q141-R145 WeakPolarHBondContact O-CD 3.38Å; Q141-R145 VanDerWaalsContact O-CG 3.3Å; Q141-R145 WeakPolarHBondContact O-CG 3.42Å; Q141-R145 PolarHBondContact O-NE 3.32Å; Q141-W207 HydrophobicContact CB-CH2 4.24Å; Q141-W207 HydrophobicContact CG-CE3 4.46Å; Q141-W207 HydrophobicContact CG-CH2 3.85Å; Q141-W207 HydrophobicContact CG-CZ2 3.84Å; Q141-W207 HydrophobicContact CG-CZ3 4.13Å; Q141-E237 PolarHBondContact NE2-OE1 3.45Å; Q141-E237 VanDerWaalsContact NE2-OE1 3.08Å
142	Y	80.6	Confident	79.7	Confident	109 Å²	109	47.5 Å²	47.5	43%	0.427	25%	0.247	S	C	.	.	H	α-helix	trans	-80.6	-51.8	173	168	-106.3	0	0	0	111.7	R82 D138 R139 S140 L144 R145	R82-Y142 VanDerWaalsContact CZ-CG 3.43Å; R82-Y142 VanDerWaalsContact NH1-CB 3.31Å; R82-Y142 VanDerWaalsContact NH2-CB 3.35Å; D138-Y142 WeakPolarHBondContact O-CB 3.3Å; D138-Y142 PolarHBondContact O-N 2.87Å; R139-Y142 PolarHBondContact O-N 3.47Å; R139-Y142 VanDerWaalsContact O-N 3.13Å; S140-Y142 VanDerWaalsContact C-N 3.33Å; S140-Y142 PolarHBondContact O-N 3.09Å; Y142-L144 PolarHBondContact O-N 3.44Å; Y142-R145 WeakPolarHBondContact O-CB 3.42Å; Y142-R145 PolarHBondContact O-N 3.08Å
143	T	77.3	Confident	79.2	Confident	13 Å²	13	49.2 Å²	49.2	8%	0.08	25%	0.252	C	S	.	.	H	α-helix	trans	-59.7	-50.5	-173.6	-59.8	0	0	0	0	109.5	R139 S140 R145 C146 F149 Y153	R139-T143 VanDerWaalsContact O-CB 3.23Å; R139-T143 WeakPolarHBondContact O-CB 3.4Å; R139-T143 PolarHBondContact O-N 2.72Å; R139-T143 PolarHBondContact O-OG1 2.95Å; S140-T143 PolarHBondContact O-N 3.18Å; T143-R145 PolarHBondContact O-N 2.75Å; T143-C146 PolarHBondContact O-N 3.28Å; T143-F149 HydrophobicContact CG2-CD1 3.89Å; T143-F149 HydrophobicContact CG2-CE1 3.08Å; T143-F149 HydrophobicContact CG2-CE2 3.92Å; T143-F149 HydrophobicContact CG2-CZ 3.13Å; T143-F149 VanDerWaalsContact O-CE2 3.23Å; T143-F149 WeakPolarHBondContact O-CE2 3.45Å; T143-F149 WeakPolarHBondContact O-CZ 3.47Å; T143-Y153 HydrophobicContact CG2-CD1 4.33Å; T143-Y153 HydrophobicContact CG2-CE1 3.47Å; T143-Y153 VanDerWaalsContact CG2-CE1 3.47Å; T143-Y153 PolarHBondContact OG1-OH 3.23Å
144	L	69.9	Low	78.7	Confident	5 Å²	5	51 Å²	51	3%	0.026	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	3.4	178.1	-62.8	176.8	0	0	0	115.3	S140 Y142 F149 W207 Y208 Y211	S140-L144 VanDerWaalsContact O-CB 3.29Å; S140-L144 WeakPolarHBondContact O-CB 3.36Å; S140-L144 WeakPolarHBondContact O-CG 3.38Å; S140-L144 PolarHBondContact O-N 3.13Å; Y142-L144 PolarHBondContact O-N 3.44Å; L144-F149 HydrophobicContact CD2-CD2 4.16Å; L144-F149 HydrophobicContact CD2-CE2 4.16Å; L144-W207 HydrophobicContact CB-CH2 4.46Å; L144-W207 HydrophobicContact CB-CZ3 4.33Å; L144-W207 HydrophobicContact CD1-CE3 4.35Å; L144-W207 HydrophobicContact CD1-CZ3 3.65Å; L144-Y208 HydrophobicContact CD1-CD2 3.57Å; L144-Y208 HydrophobicContact CD1-CE2 3.9Å; L144-Y208 HydrophobicContact CD2-CE2 4.43Å; L144-Y211 HydrophobicContact CB-CD1 4.15Å; L144-Y211 HydrophobicContact CB-CD2 3.84Å; L144-Y211 HydrophobicContact CB-CE1 4.1Å; L144-Y211 HydrophobicContact CB-CE2 3.7Å; L144-Y211 HydrophobicContact CB-CG 4.11Å; L144-Y211 HydrophobicContact CD1-CD1 3.74Å; L144-Y211 HydrophobicContact CD1-CD2 4.15Å; L144-Y211 HydrophobicContact CD1-CE1 4.44Å; L144-Y211 HydrophobicContact CD1-CG 3.66Å; L144-Y211 HydrophobicContact CD2-CD1 3.86Å; L144-Y211 HydrophobicContact CD2-CE1 3.85Å; L144-Y211 HydrophobicContact CG-CD1 4.12Å; L144-Y211 HydrophobicContact CG-CE1 4.34Å; L144-Y211 HydrophobicContact CG-CG 4.3Å; L144-Y211 WeakPolarHBondContact O-CE2 3.34Å; L144-Y211 PolarHBondContact O-OH 3.22Å; L144-Y211 VanDerWaalsContact O-OH 3.06Å
145	R	64.7	Low	78.4	Confident	98 Å²	98	52.6 Å²	52.6	37%	0.37	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-17	167	-61.5	173.8	-164	-140.4	-4.8	113.6	Q141 Y142 T143 L733	Q141-R145 VanDerWaalsContact O-CD 3.27Å; Q141-R145 WeakPolarHBondContact O-CD 3.38Å; Q141-R145 VanDerWaalsContact O-CG 3.3Å; Q141-R145 WeakPolarHBondContact O-CG 3.42Å; Q141-R145 PolarHBondContact O-NE 3.32Å; Y142-R145 WeakPolarHBondContact O-CB 3.42Å; Y142-R145 PolarHBondContact O-N 3.08Å; T143-R145 PolarHBondContact O-N 2.75Å; R145-L733 HydrophobicContact CB-CD2 4.39Å
146	C	68.1	Low	78.3	Confident	51 Å²	51	58.4 Å²	58.4	35%	0.345	29%	0.293	S	S	.	.	S	Bend	trans	-99.3	113.8	173.8	-57.6	0	0	0	0	107.6	T143 D148 F149	T143-C146 PolarHBondContact O-N 3.28Å; C146-D148 VanDerWaalsContact C-N 3.25Å; C146-D148 PolarHBondContact O-N 3.45Å; C146-F149 HydrophobicContact CB-CZ 4.43Å; C146-F149 WeakPolarHBondContact O-CE2 3.23Å; C146-F149 WeakPolarHBondContact O-CZ 3.31Å
147	S	60.7	Low	78	Confident	28 Å²	28	58.6 Å²	58.6	20%	0.196	29%	0.294	C	S	.	.			trans	-76.2	8.7	-156.7	-52.2	0	0	0	0	118.1	R729	S147-R729 VanDerWaalsContact OG-CZ 3.31Å; S147-R729 PolarHBondContact OG-NH1 2.89Å
148	D	61.8	Low	77.9	Confident	126 Å²	126	60.2 Å²	60.2	67%	0.674	30%	0.303	S	S	*	.			trans	-117	103.7	-166.4	-53.1	-51.9	0	0	0	111.4	C146	C146-D148 VanDerWaalsContact C-N 3.25Å; C146-D148 PolarHBondContact O-N 3.45Å
149	F	66.7	Low	78.1	Confident	70 Å²	70	63.5 Å²	63.5	31%	0.307	32%	0.32	S	S	.	.			trans	-128.2	141.7	-178.6	-69.8	-54.1	0	0	0	116.4	T143 L144 C146 Y153 Q154	T143-F149 HydrophobicContact CG2-CD1 3.89Å; T143-F149 HydrophobicContact CG2-CE1 3.08Å; T143-F149 HydrophobicContact CG2-CE2 3.92Å; T143-F149 HydrophobicContact CG2-CZ 3.13Å; T143-F149 VanDerWaalsContact O-CE2 3.23Å; T143-F149 WeakPolarHBondContact O-CE2 3.45Å; T143-F149 WeakPolarHBondContact O-CZ 3.47Å; L144-F149 HydrophobicContact CD2-CD2 4.16Å; L144-F149 HydrophobicContact CD2-CE2 4.16Å; C146-F149 HydrophobicContact CB-CZ 4.43Å; C146-F149 WeakPolarHBondContact O-CE2 3.23Å; C146-F149 WeakPolarHBondContact O-CZ 3.31Å; F149-Y153 HydrophobicContact CD1-CD1 4.21Å; F149-Q154 HydrophobicContact CB-CG 4.19Å
150	S	77.7	Confident	78.3	Confident	64 Å²	64	62 Å²	62	45%	0.448	32%	0.315	S	S	.	.			trans	-73.6	135	157.8	58.1	0	0	0	0	110.4	T152 Y153 Q154	S150-T152 WeakPolarHBondContact CB-OG1 3.24Å; S150-T152 PolarHBondContact O-N 2.91Å; S150-T152 PolarHBondContact OG-OG1 3.18Å; S150-Y153 PolarHBondContact O-N 2.84Å; S150-Q154 PolarHBondContact O-N 2.68Å
151	L	80.5	Confident	78.9	Confident	134 Å²	134	62.1 Å²	62.1	70%	0.702	32%	0.316	S	S	*	.	H	α-helix	trans	-57.8	-28.7	173.9	-176.4	62.9	0	0	0	112	Q154 A155	L151-Q154 PolarHBondContact O-N 2.99Å; L151-A155 WeakPolarHBondContact O-CB 3.37Å; L151-A155 PolarHBondContact O-N 3Å
152	T	82.9	Confident	79.4	Confident	93 Å²	93	62.9 Å²	62.9	57%	0.571	32%	0.324	S	S	*	.	H	α-helix	trans	-65.2	-39.6	177.6	52.9	0	0	0	0	113	S150 R156	S150-T152 WeakPolarHBondContact CB-OG1 3.24Å; S150-T152 PolarHBondContact O-N 2.91Å; S150-T152 PolarHBondContact OG-OG1 3.18Å; T152-R156 VanDerWaalsContact O-CG 3.29Å; T152-R156 WeakPolarHBondContact O-CG 3.4Å; T152-R156 PolarHBondContact O-N 3.21Å
153	Y	82	Confident	80	Confident	50 Å²	50	62 Å²	62	20%	0.196	33%	0.326	C	S	.	.	H	α-helix	trans	-67.4	-42.4	174.3	177.2	-93.8	0	0	0	111.3	R139 T143 F149 S150 R156 I157	R139-Y153 VanDerWaalsContact CG-OH 3.29Å; R139-Y153 WeakPolarHBondContact CG-OH 3.38Å; T143-Y153 HydrophobicContact CG2-CD1 4.33Å; T143-Y153 HydrophobicContact CG2-CE1 3.47Å; T143-Y153 VanDerWaalsContact CG2-CE1 3.47Å; T143-Y153 PolarHBondContact OG1-OH 3.23Å; F149-Y153 HydrophobicContact CD1-CD1 4.21Å; S150-Y153 PolarHBondContact O-N 2.84Å; Y153-R156 PolarHBondContact O-N 3.41Å; Y153-I157 HydrophobicContact CD1-CD1 4.36Å; Y153-I157 HydrophobicContact CE1-CD1 3.51Å; Y153-I157 HydrophobicContact CE1-CG1 4.36Å; Y153-I157 HydrophobicContact CE2-CD1 4.3Å; Y153-I157 VanDerWaalsContact CZ-CD1 3.5Å; Y153-I157 PolarHBondContact O-N 3.34Å; Y153-I157 VanDerWaalsContact O-N 3.11Å; Y153-I157 WeakPolarHBondContact OH-CD1 3.41Å
154	Q	82	Confident	80.8	Confident	39 Å²	39	61.8 Å²	61.8	18%	0.182	32%	0.324	C	S	.	.	H	α-helix	trans	-60.7	-44	176.5	-76.1	-173.3	-21.8	0	0	112.3	F149 S150 L151 F158 Y208	F149-Q154 HydrophobicContact CB-CG 4.19Å; S150-Q154 PolarHBondContact O-N 2.68Å; L151-Q154 PolarHBondContact O-N 2.99Å; Q154-F158 PolarHBondContact O-N 3.43Å; Q154-F158 VanDerWaalsContact O-N 3.15Å; Q154-Y208 WeakPolarHBondContact CA-OH 3.49Å; Q154-Y208 WeakPolarHBondContact CB-OH 3.44Å; Q154-Y208 WeakPolarHBondContact CG-OH 3.32Å; Q154-Y208 PolarHBondContact O-OH 2.94Å
155	A	84.4	Confident	82	Confident	53 Å²	53	63.9 Å²	63.9	44%	0.438	34%	0.335	S	S	.	.	H	α-helix	trans	-65.1	-40.3	175.2	0	0	0	0	0	112.5	L151 F158 L159	L151-A155 WeakPolarHBondContact O-CB 3.37Å; L151-A155 PolarHBondContact O-N 3Å; A155-F158 PolarHBondContact O-N 3.39Å; A155-L159 VanDerWaalsContact O-CB 3.31Å; A155-L159 WeakPolarHBondContact O-CB 3.38Å; A155-L159 PolarHBondContact O-N 3.45Å
156	R	88.3	Confident	83.5	Confident	132 Å²	132	64.5 Å²	64.5	50%	0.498	35%	0.346	S	S	.	.	H	α-helix	trans	-60.5	-46.4	176.9	-77.8	176.9	-172.3	-157.6	5.6	112.5	L76 F77 T152 Y153 L160	L76-R156 PolarHBondContact O-NH1 3.06Å; F77-R156 HydrophobicContact CD1-CB 4.01Å; F77-R156 HydrophobicContact CE1-CB 4.14Å; F77-R156 WeakPolarHBondContact CE1-O 2.92Å; T152-R156 VanDerWaalsContact O-CG 3.29Å; T152-R156 WeakPolarHBondContact O-CG 3.4Å; T152-R156 PolarHBondContact O-N 3.21Å; Y153-R156 PolarHBondContact O-N 3.41Å; R156-L160 PolarHBondContact O-N 2.71Å
157	I	85.4	Confident	84.8	Confident	4 Å²	4	66.5 Å²	66.5	2%	0.021	35%	0.349	C	S	.	.	H	α-helix	trans	-64.3	-44.4	177.1	-75.3	-173.8	0	0	0	111.2	I136 Y153 L159 L160 C161 Y208	I136-I157 HydrophobicContact CG2-CG2 3.97Å; Y153-I157 HydrophobicContact CD1-CD1 4.36Å; Y153-I157 HydrophobicContact CE1-CD1 3.51Å; Y153-I157 HydrophobicContact CE1-CG1 4.36Å; Y153-I157 HydrophobicContact CE2-CD1 4.3Å; Y153-I157 VanDerWaalsContact CZ-CD1 3.5Å; Y153-I157 PolarHBondContact O-N 3.34Å; Y153-I157 VanDerWaalsContact O-N 3.11Å; Y153-I157 WeakPolarHBondContact OH-CD1 3.41Å; I157-L159 PolarHBondContact O-N 2.79Å; I157-L160 PolarHBondContact O-N 2.88Å; I157-C161 PolarHBondContact O-N 3.42Å; I157-C161 PolarHBondContact O-SG 3.41Å; I157-Y208 HydrophobicContact CG2-CE2 4.49Å
158	F	86.6	Confident	86.4	Confident	90 Å²	90	65.2 Å²	65.2	40%	0.395	34%	0.34	S	S	.	.	H	α-helix	trans	-61.8	-45.2	179.2	-172	-100.3	0	0	0	111.8	Q154 A155 L160 C161 C162 I205 Y208 V209	Q154-F158 PolarHBondContact O-N 3.43Å; Q154-F158 VanDerWaalsContact O-N 3.15Å; A155-F158 PolarHBondContact O-N 3.39Å; F158-L160 PolarHBondContact O-N 3.02Å; F158-C161 WeakPolarHBondContact O-CB 3.37Å; F158-C161 PolarHBondContact O-N 3.13Å; F158-C162 PolarHBondContact O-N 3.13Å; F158-C162 PolarHBondContact O-SG 3.14Å; F158-C162 VanDerWaalsContact O-SG 3.36Å; F158-I205 HydrophobicContact CE2-CG2 4.4Å; F158-Y208 HydrophobicContact CB-CE1 4.23Å; F158-Y208 HydrophobicContact CD2-CD1 4.13Å; F158-Y208 HydrophobicContact CD2-CE1 4.12Å; F158-V209 HydrophobicContact CE2-CG2 4.33Å
159	L	90.7	Very high	88	Confident	99 Å²	99	62 Å²	62	52%	0.518	32%	0.322	S	S	.	.	H	α-helix	trans	-57.6	-45.9	174.6	179.1	63.2	0	0	0	112.1	A155 I157 C161 C162 L163	A155-L159 VanDerWaalsContact O-CB 3.31Å; A155-L159 WeakPolarHBondContact O-CB 3.38Å; A155-L159 PolarHBondContact O-N 3.45Å; I157-L159 PolarHBondContact O-N 2.79Å; L159-C161 VanDerWaalsContact C-N 3.3Å; L159-C161 PolarHBondContact O-N 2.91Å; L159-C162 PolarHBondContact O-N 3.3Å; L159-L163 HydrophobicContact CG-CD1 4.29Å; L159-L163 WeakPolarHBondContact O-CG 3.25Å; L159-L163 PolarHBondContact O-N 2.93Å
160	L	92	Very high	89.4	Confident	7 Å²	7	61.8 Å²	61.8	4%	0.037	33%	0.327	C	S	.	.	H	α-helix	trans	-61.6	-38.7	177.3	-176	63.1	0	0	0	112	F77 F78 L132 I136 R156 I157 F158 L163 L164	F77-L160 HydrophobicContact CB-CD2 4.09Å; F77-L160 HydrophobicContact CD1-CB 4.03Å; F77-L160 HydrophobicContact CD1-CD2 4.01Å; F77-L160 HydrophobicContact CD1-CG 4.48Å; F77-L160 HydrophobicContact CD2-CD1 4.27Å; F77-L160 HydrophobicContact CD2-CD2 4.1Å; F77-L160 HydrophobicContact CE1-CB 3.84Å; F77-L160 HydrophobicContact CE1-CD1 4.5Å; F77-L160 HydrophobicContact CE1-CD2 4.5Å; F77-L160 HydrophobicContact CE1-CG 4.5Å; F77-L160 HydrophobicContact CE2-CD1 3.98Å; F77-L160 HydrophobicContact CG-CD2 3.81Å; F77-L160 HydrophobicContact CZ-CB 4.24Å; F77-L160 HydrophobicContact CZ-CD1 4.11Å; F78-L160 HydrophobicContact CE2-CD2 4.01Å; F78-L160 HydrophobicContact CZ-CD2 3.8Å; L132-L160 HydrophobicContact CD1-CD2 4.45Å; I136-L160 HydrophobicContact CD1-CD2 3.77Å; I136-L160 HydrophobicContact CD1-CG 3.97Å; I136-L160 HydrophobicContact CG1-CD2 4.01Å; R156-L160 PolarHBondContact O-N 2.71Å; I157-L160 PolarHBondContact O-N 2.88Å; F158-L160 PolarHBondContact O-N 3.02Å; L160-L163 PolarHBondContact O-N 2.98Å; L160-L164 HydrophobicContact CG-CD1 4.5Å; L160-L164 WeakPolarHBondContact O-CG 3.26Å; L160-L164 PolarHBondContact O-N 3.05Å
161	C	92.1	Very high	90.3	Very high	6 Å²	6	59.1 Å²	59.1	4%	0.041	31%	0.307	C	S	.	.	H	α-helix	trans	-65.7	-40.9	174.9	-61.3	0	0	0	0	112.2	I157 F158 L159 L164 L165 I205	I157-C161 PolarHBondContact O-N 3.42Å; I157-C161 PolarHBondContact O-SG 3.41Å; F158-C161 WeakPolarHBondContact O-CB 3.37Å; F158-C161 PolarHBondContact O-N 3.13Å; L159-C161 VanDerWaalsContact C-N 3.3Å; L159-C161 PolarHBondContact O-N 2.91Å; C161-L164 PolarHBondContact O-N 3.46Å; C161-L165 WeakPolarHBondContact O-CB 3.48Å; C161-L165 PolarHBondContact O-N 2.86Å; C161-I205 HydrophobicContact CB-CD1 3.98Å; C161-I205 HydrophobicContact CB-CG1 3.56Å
162	C	92.4	Very high	91	Very high	49 Å²	49	55.4 Å²	55.4	33%	0.331	29%	0.287	S	S	.	.	H	α-helix	trans	-63.7	-39.2	175.3	-67.4	0	0	0	0	112.4	F158 L159 L165 L166	F158-C162 PolarHBondContact O-N 3.13Å; F158-C162 PolarHBondContact O-SG 3.14Å; F158-C162 VanDerWaalsContact O-SG 3.36Å; L159-C162 PolarHBondContact O-N 3.3Å; C162-L165 PolarHBondContact O-N 2.84Å; C162-L166 WeakPolarHBondContact O-CB 3.42Å; C162-L166 PolarHBondContact O-N 3.28Å
163	L	93.5	Very high	91.6	Very high	91 Å²	91	55.4 Å²	55.4	48%	0.476	28%	0.283	S	S	.	.	H	α-helix	trans	-65.9	-41.1	175.1	-69.1	171.2	0	0	0	112	L159 L160 L166 F167	L159-L163 HydrophobicContact CG-CD1 4.29Å; L159-L163 WeakPolarHBondContact O-CG 3.25Å; L159-L163 PolarHBondContact O-N 2.93Å; L160-L163 PolarHBondContact O-N 2.98Å; L163-L166 PolarHBondContact O-N 2.9Å; L163-F167 PolarHBondContact O-N 3.41Å
164	L	94.7	Very high	92.3	Very high	8 Å²	8	56.5 Å²	56.5	4%	0.042	29%	0.291	C	S	.	.	H	α-helix	trans	-64.1	-40.1	173.5	-74.4	169.9	0	0	0	112.4	L129 L132 I136 L160 C161 F167 S168 T201	L129-L164 HydrophobicContact CD2-CD2 3.52Å; L132-L164 HydrophobicContact CD2-CD2 4.16Å; L132-L164 HydrophobicContact CG-CD1 4.42Å; I136-L164 HydrophobicContact CD1-CD1 3.31Å; L160-L164 HydrophobicContact CG-CD1 4.5Å; L160-L164 WeakPolarHBondContact O-CG 3.26Å; L160-L164 PolarHBondContact O-N 3.05Å; C161-L164 PolarHBondContact O-N 3.46Å; L164-F167 PolarHBondContact O-N 3.35Å; L164-S168 WeakPolarHBondContact O-CB 3.26Å; L164-S168 PolarHBondContact O-N 3.03Å; L164-S168 PolarHBondContact O-OG 3.5Å; L164-T201 HydrophobicContact CB-CG2 3.99Å
165	L	94.7	Very high	92.9	Very high	49 Å²	49	54.6 Å²	54.6	26%	0.257	28%	0.282	S	S	.	.	H	α-helix	trans	-64.4	-43.9	176.2	-178.9	60.8	0	0	0	111.2	C161 C162 S168 N169 L198 V202 I205	C161-L165 WeakPolarHBondContact O-CB 3.48Å; C161-L165 PolarHBondContact O-N 2.86Å; C162-L165 PolarHBondContact O-N 2.84Å; L165-S168 PolarHBondContact O-N 2.87Å; L165-N169 PolarHBondContact O-N 2.95Å; L165-N169 PolarHBondContact O-ND2 3.4Å; L165-L198 HydrophobicContact CD1-CD1 3.44Å; L165-L198 VanDerWaalsContact CD1-CD1 3.44Å; L165-V202 HydrophobicContact CD1-CG2 3.96Å; L165-I205 HydrophobicContact CB-CD1 4.33Å; L165-I205 HydrophobicContact CD2-CD1 4.02Å
166	L	95.5	Very high	93.5	Very high	112 Å²	112	55.9 Å²	55.9	59%	0.586	28%	0.281	S	S	*	.	H	α-helix	trans	-58.9	-50.4	174.3	178.8	64.2	0	0	0	111.3	C162 L163 S168 N169 V170	C162-L166 WeakPolarHBondContact O-CB 3.42Å; C162-L166 PolarHBondContact O-N 3.28Å; L163-L166 PolarHBondContact O-N 2.9Å; L166-S168 VanDerWaalsContact C-N 3.32Å; L166-S168 PolarHBondContact O-N 2.63Å; L166-N169 PolarHBondContact O-N 2.7Å; L166-V170 PolarHBondContact O-N 2.74Å
167	F	95.3	Very high	93.8	Very high	93 Å²	93	53.9 Å²	53.9	41%	0.408	28%	0.279	S	S	.	.	H	α-helix	trans	-62.6	-39	179.4	-161.5	-82.3	0	0	0	112.1	I125 L129 L163 L164 N169 V170 L171	I125-F167 HydrophobicContact CG2-CE1 3.7Å; I125-F167 HydrophobicContact CG2-CZ 4.12Å; L129-F167 HydrophobicContact CD1-CD1 3.5Å; L129-F167 VanDerWaalsContact CD1-CD1 3.5Å; L129-F167 HydrophobicContact CD1-CE1 3.63Å; L129-F167 HydrophobicContact CD2-CD1 4.1Å; L129-F167 HydrophobicContact CG-CD1 4.45Å; L163-F167 PolarHBondContact O-N 3.41Å; L164-F167 PolarHBondContact O-N 3.35Å; F167-N169 VanDerWaalsContact C-N 3.32Å; F167-N169 PolarHBondContact O-N 2.94Å; F167-V170 PolarHBondContact O-N 2.71Å; F167-L171 HydrophobicContact CD1-CD1 3.9Å; F167-L171 HydrophobicContact CD1-CD2 4.46Å; F167-L171 HydrophobicContact CD1-CG 3.88Å; F167-L171 HydrophobicContact CE1-CD1 3.82Å; F167-L171 HydrophobicContact CE1-CD2 3.83Å; F167-L171 HydrophobicContact CE1-CG 3.75Å; F167-L171 WeakPolarHBondContact O-CG 3.36Å; F167-L171 PolarHBondContact O-N 2.96Å
168	S	95.6	Very high	94.2	Very high	1 Å²	1	56.5 Å²	56.5	1%	0.007	30%	0.295	C	S	.	.	H	α-helix	trans	-62.3	-38.1	175.7	-56.4	0	0	0	0	112.1	L164 L165 L166 L171 M172 V194 L197	L164-S168 WeakPolarHBondContact O-CB 3.26Å; L164-S168 PolarHBondContact O-N 3.03Å; L164-S168 PolarHBondContact O-OG 3.5Å; L165-S168 PolarHBondContact O-N 2.87Å; L166-S168 VanDerWaalsContact C-N 3.32Å; L166-S168 PolarHBondContact O-N 2.63Å; S168-L171 PolarHBondContact O-N 3.47Å; S168-M172 PolarHBondContact O-N 3.08Å; S168-V194 VanDerWaalsContact O-CG1 3.29Å; S168-V194 WeakPolarHBondContact O-CG1 3.15Å; S168-L197 WeakPolarHBondContact OG-CD2 3.37Å
169	N	94.7	Very high	94.4	Very high	58 Å²	58	52.3 Å²	52.3	31%	0.31	28%	0.277	S	S	.	.	H	α-helix	trans	-68.8	-36.4	174.2	-80.2	-87.5	0	0	0	112.2	L165 L166 F167 M172 I173	L165-N169 PolarHBondContact O-N 2.95Å; L165-N169 PolarHBondContact O-ND2 3.4Å; L166-N169 PolarHBondContact O-N 2.7Å; F167-N169 VanDerWaalsContact C-N 3.32Å; F167-N169 PolarHBondContact O-N 2.94Å; N169-M172 WeakPolarHBondContact O-CB 3.33Å; N169-M172 PolarHBondContact O-N 3.46Å; N169-M172 WeakPolarHBondContact OD1-CE 3.29Å; N169-I173 WeakPolarHBondContact O-CG1 3.47Å; N169-I173 PolarHBondContact O-N 2.86Å
170	V	96.5	Very high	94.5	Very high	66 Å²	66	51.4 Å²	51.4	40%	0.4	28%	0.284	S	S	.	.	H	α-helix	trans	-62.6	-44.6	172.4	174.3	0	0	0	0	111	L166 F167 M172 I173 I174	L166-V170 PolarHBondContact O-N 2.74Å; F167-V170 PolarHBondContact O-N 2.71Å; V170-M172 VanDerWaalsContact C-N 3.29Å; V170-M172 PolarHBondContact O-N 3.16Å; V170-I173 PolarHBondContact O-N 3.15Å; V170-I174 HydrophobicContact CG1-CD1 3.93Å; V170-I174 WeakPolarHBondContact O-CG1 3.45Å; V170-I174 PolarHBondContact O-N 3.44Å
171	L	96.5	Very high	94.6	Very high	7 Å²	7	59.6 Å²	59.6	4%	0.037	32%	0.319	C	S	.	.	H	α-helix	trans	-61.5	-35.5	173.4	-66.5	-179.9	0	0	0	112.6	W122 I125 L126 L129 F167 S168 I174 S175 V194 L197	W122-L171 HydrophobicContact CE3-CD2 4.44Å; W122-L171 HydrophobicContact CH2-CB 4.06Å; W122-L171 HydrophobicContact CH2-CD2 4.14Å; W122-L171 HydrophobicContact CZ3-CB 4.43Å; W122-L171 HydrophobicContact CZ3-CD2 3.68Å; I125-L171 HydrophobicContact CG2-CD1 4.36Å; I125-L171 HydrophobicContact CG2-CD2 4.33Å; L126-L171 HydrophobicContact CD2-CD1 3.81Å; L126-L171 HydrophobicContact CG-CD1 4.47Å; L129-L171 HydrophobicContact CD1-CD1 3.66Å; F167-L171 HydrophobicContact CD1-CD1 3.9Å; F167-L171 HydrophobicContact CD1-CD2 4.46Å; F167-L171 HydrophobicContact CD1-CG 3.88Å; F167-L171 HydrophobicContact CE1-CD1 3.82Å; F167-L171 HydrophobicContact CE1-CD2 3.83Å; F167-L171 HydrophobicContact CE1-CG 3.75Å; F167-L171 WeakPolarHBondContact O-CG 3.36Å; F167-L171 PolarHBondContact O-N 2.96Å; S168-L171 PolarHBondContact O-N 3.47Å; L171-I174 PolarHBondContact O-N 2.9Å; L171-S175 WeakPolarHBondContact O-CB 3.37Å; L171-S175 PolarHBondContact O-N 3.06Å; L171-S175 PolarHBondContact O-OG 2.96Å; L171-V194 HydrophobicContact CB-CG1 4.23Å; L171-V194 HydrophobicContact CB-CG2 3.82Å; L171-L197 HydrophobicContact CD1-CD2 4.41Å
172	M	95.6	Very high	94.5	Very high	56 Å²	56	66.1 Å²	66.1	28%	0.276	35%	0.349	S	S	.	.	H	α-helix	trans	-65.3	-44.6	176.3	-170	171.6	64.9	0	0	111.3	S168 N169 V170 S175 I176 L191 V194 L198	S168-M172 PolarHBondContact O-N 3.08Å; N169-M172 WeakPolarHBondContact O-CB 3.33Å; N169-M172 PolarHBondContact O-N 3.46Å; N169-M172 WeakPolarHBondContact OD1-CE 3.29Å; V170-M172 VanDerWaalsContact C-N 3.29Å; V170-M172 PolarHBondContact O-N 3.16Å; M172-S175 WeakPolarHBondContact O-CB 3.17Å; M172-S175 PolarHBondContact O-N 3.38Å; M172-I176 HydrophobicContact CG-CD1 4.36Å; M172-I176 WeakPolarHBondContact O-CG1 3.36Å; M172-I176 PolarHBondContact O-N 2.81Å; M172-L191 HydrophobicContact CG-CD2 3.82Å; M172-V194 HydrophobicContact CB-CG1 3.81Å; M172-V194 HydrophobicContact CG-CG1 4.5Å; M172-L198 HydrophobicContact SD-CD2 4.41Å
173	I	96.1	Very high	94.5	Very high	94 Å²	94	65.4 Å²	65.4	48%	0.482	34%	0.344	S	S	.	.	H	α-helix	trans	-62.3	-44.2	175.5	-67.5	163	0	0	0	110.6	N169 V170 S175 I176 I177	N169-I173 WeakPolarHBondContact O-CG1 3.47Å; N169-I173 PolarHBondContact O-N 2.86Å; V170-I173 PolarHBondContact O-N 3.15Å; I173-S175 VanDerWaalsContact C-N 3.34Å; I173-S175 PolarHBondContact O-N 3.38Å; I173-I176 PolarHBondContact O-N 3.05Å; I173-I177 HydrophobicContact CG2-CD1 3.7Å; I173-I177 HydrophobicContact CG2-CG1 4.45Å; I173-I177 WeakPolarHBondContact O-CG1 3.41Å; I173-I177 PolarHBondContact O-N 3.16Å
174	I	95.6	Very high	94.4	Very high	72 Å²	72	66.4 Å²	66.4	37%	0.369	35%	0.35	S	S	.	.	H	α-helix	trans	-59.6	-44	174.5	-68.6	165.2	0	0	0	111	W122 V170 L171 I176 I177 V178	W122-I174 HydrophobicContact CZ3-CG2 4.22Å; V170-I174 HydrophobicContact CG1-CD1 3.93Å; V170-I174 WeakPolarHBondContact O-CG1 3.45Å; V170-I174 PolarHBondContact O-N 3.44Å; L171-I174 PolarHBondContact O-N 2.9Å; I174-I176 VanDerWaalsContact C-N 3.31Å; I174-I176 PolarHBondContact O-N 2.83Å; I174-I177 PolarHBondContact O-N 2.88Å; I174-V178 HydrophobicContact CG2-CG2 4.21Å; I174-V178 WeakPolarHBondContact O-CB 3.44Å; I174-V178 WeakPolarHBondContact O-CG2 3.29Å; I174-V178 PolarHBondContact O-N 2.89Å
175	S	95.5	Very high	94.3	Very high	0 Å²	0	68.3 Å²	68.3	0%	0	36%	0.36	C	S	.	.	H	α-helix	trans	-58.6	-41.6	177.9	-57.1	0	0	0	0	112.3	W122 L171 M172 I173 G179	W122-S175 VanDerWaalsContact CH2-OG 3.31Å; W122-S175 WeakPolarHBondContact CH2-OG 3.4Å; L171-S175 WeakPolarHBondContact O-CB 3.37Å; L171-S175 PolarHBondContact O-N 3.06Å; L171-S175 PolarHBondContact O-OG 2.96Å; M172-S175 WeakPolarHBondContact O-CB 3.17Å; M172-S175 PolarHBondContact O-N 3.38Å; I173-S175 VanDerWaalsContact C-N 3.34Å; I173-S175 PolarHBondContact O-N 3.38Å; S175-G179 PolarHBondContact O-N 3.44Å
176	I	95.8	Very high	94.1	Very high	80 Å²	80	67 Å²	67	41%	0.41	35%	0.354	S	S	.	.	H	α-helix	trans	-68.5	-45.9	177.3	-65	163.7	0	0	0	110.6	M172 I173 I174 G179 A180 L191	M172-I176 HydrophobicContact CG-CD1 4.36Å; M172-I176 WeakPolarHBondContact O-CG1 3.36Å; M172-I176 PolarHBondContact O-N 2.81Å; I173-I176 PolarHBondContact O-N 3.05Å; I174-I176 VanDerWaalsContact C-N 3.31Å; I174-I176 PolarHBondContact O-N 2.83Å; I176-G179 PolarHBondContact O-N 3.37Å; I176-A180 VanDerWaalsContact O-CB 3.25Å; I176-A180 WeakPolarHBondContact O-CB 3.26Å; I176-A180 PolarHBondContact O-N 2.9Å; I176-L191 HydrophobicContact CG1-CD1 4.49Å; I176-L191 HydrophobicContact CG1-CD2 4.12Å
177	I	95.4	Very high	94	Very high	90 Å²	90	63 Å²	63	46%	0.462	33%	0.333	S	S	.	.	H	α-helix	trans	-65.1	-41.6	-178.9	-67.7	168	0	0	0	111.9	I173 I174 K181	I173-I177 HydrophobicContact CG2-CD1 3.7Å; I173-I177 HydrophobicContact CG2-CG1 4.45Å; I173-I177 WeakPolarHBondContact O-CG1 3.41Å; I173-I177 PolarHBondContact O-N 3.16Å; I174-I177 PolarHBondContact O-N 2.88Å; I177-K181 WeakPolarHBondContact O-CG 3.38Å; I177-K181 PolarHBondContact O-N 3.39Å
178	V	93.9	Very high	93.9	Very high	59 Å²	59	63.5 Å²	63.5	36%	0.358	34%	0.335	S	S	.	.	H	α-helix	trans	-69.5	-45	175.9	172.9	0	0	0	0	110.4	I174 A180 K181 H182	I174-V178 HydrophobicContact CG2-CG2 4.21Å; I174-V178 WeakPolarHBondContact O-CB 3.44Å; I174-V178 WeakPolarHBondContact O-CG2 3.29Å; I174-V178 PolarHBondContact O-N 2.89Å; V178-A180 PolarHBondContact O-N 3.2Å; V178-K181 PolarHBondContact O-N 3.11Å; V178-K181 VanDerWaalsContact O-N 3.16Å; V178-H182 PolarHBondContact O-N 2.92Å
179	G	91.5	Very high	93.8	Very high	1 Å²	1	63.7 Å²	63.7	1%	0.01	34%	0.335	C	S	.	.	H	α-helix	trans	-59.6	-45	178.4	0	0	0	0	0	114	S175 I176 K181 H182 S183	S175-G179 PolarHBondContact O-N 3.44Å; I176-G179 PolarHBondContact O-N 3.37Å; G179-K181 PolarHBondContact O-N 2.75Å; G179-H182 PolarHBondContact O-N 3.34Å; G179-S183 CarbonylContact O-C 3.49Å; G179-S183 VanDerWaalsContact O-C 3.26Å; G179-S183 PolarHBondContact O-N 2.78Å; G179-S183 VanDerWaalsContact O-N 3.11Å; G179-S183 VanDerWaalsContact O-O 3.11Å
180	A	92.9	Very high	93.8	Very high	81 Å²	81	61.7 Å²	61.7	67%	0.669	32%	0.324	S	S	*	.	H	α-helix	trans	-65.7	-21	177.2	0	0	0	0	0	113.8	I176 V178	I176-A180 VanDerWaalsContact O-CB 3.25Å; I176-A180 WeakPolarHBondContact O-CB 3.26Å; I176-A180 PolarHBondContact O-N 2.9Å; V178-A180 PolarHBondContact O-N 3.2Å
181	K	93.7	Very high	93.8	Very high	178 Å²	178	60.4 Å²	60.4	77%	0.774	32%	0.315	S	S	*	.	H	α-helix	trans	-92.1	-31	176.3	-72.7	-179.6	178	-173.7	0	113.9	I177 V178 G179	I177-K181 WeakPolarHBondContact O-CG 3.38Å; I177-K181 PolarHBondContact O-N 3.39Å; V178-K181 PolarHBondContact O-N 3.11Å; V178-K181 VanDerWaalsContact O-N 3.16Å; G179-K181 PolarHBondContact O-N 2.75Å
182	H	89.8	Confident	93.7	Very high	144 Å²	144	60.9 Å²	60.9	67%	0.667	32%	0.32	S	S	*	.	H	α-helix	trans	-108.2	-64.6	-171.3	-168.6	-55.9	0	0	0	113.2	V178 G179	V178-H182 PolarHBondContact O-N 2.92Å; G179-H182 PolarHBondContact O-N 3.34Å
183	S	92	Very high	93.6	Very high	33 Å²	33	58.9 Å²	58.9	23%	0.231	31%	0.31	C	S	.	.			trans	-166	153	172.8	88.7	0	0	0	0	111.7	G179 N185 T186 M187	G179-S183 CarbonylContact O-C 3.49Å; G179-S183 VanDerWaalsContact O-C 3.26Å; G179-S183 PolarHBondContact O-N 2.78Å; G179-S183 VanDerWaalsContact O-N 3.11Å; G179-S183 VanDerWaalsContact O-O 3.11Å; S183-N185 PolarHBondContact O-N 3.04Å; S183-N185 PolarHBondContact OG-N 3.46Å; S183-T186 WeakPolarHBondContact O-CB 3.38Å; S183-T186 PolarHBondContact O-N 2.97Å; S183-T186 PolarHBondContact OG-N 2.89Å; S183-T186 PolarHBondContact OG-OG1 2.95Å; S183-M187 PolarHBondContact O-N 3.5Å
184	L	91.9	Very high	93.6	Very high	112 Å²	112	54.4 Å²	54.4	59%	0.586	29%	0.287	S	S	*	.	H	α-helix	trans	-60	-29.9	172.4	-63.9	176.7	0	0	0	112.8	M187 F188	L184-M187 HydrophobicContact CD2-CE 3.89Å; L184-M187 HydrophobicContact CD2-SD 4.44Å; L184-M187 VanDerWaalsContact O-CB 3.26Å; L184-M187 WeakPolarHBondContact O-CB 3.48Å; L184-M187 PolarHBondContact O-N 3.34Å; L184-F188 HydrophobicContact CB-CE2 4.36Å; L184-F188 WeakPolarHBondContact O-CD2 3.35Å; L184-F188 WeakPolarHBondContact O-CG 3.26Å; L184-F188 PolarHBondContact O-N 2.93Å
185	N	91.5	Very high	93.6	Very high	48 Å²	48	55.2 Å²	55.2	26%	0.257	29%	0.288	S	S	.	.	H	α-helix	trans	-76	-40.3	-180	-65.6	-74.4	0	0	0	111.4	S183 M187 F188 F189 H254 W258	S183-N185 PolarHBondContact O-N 3.04Å; S183-N185 PolarHBondContact OG-N 3.46Å; N185-M187 VanDerWaalsContact C-N 3.27Å; N185-M187 PolarHBondContact O-N 3.13Å; N185-F188 PolarHBondContact O-N 3.39Å; N185-F189 WeakPolarHBondContact O-CD2 3.28Å; N185-F189 WeakPolarHBondContact O-CG 3.43Å; N185-F189 PolarHBondContact O-N 2.82Å; N185-H254 PolarHBondContact OD1-NE2 3.03Å; N185-W258 HydrophobicContact CB-CD2 4.02Å; N185-W258 HydrophobicContact CB-CE3 3.55Å; N185-W258 HydrophobicContact CB-CH2 3.95Å; N185-W258 HydrophobicContact CB-CZ2 4.37Å; N185-W258 HydrophobicContact CB-CZ3 3.54Å; N185-W258 WeakPolarHBondContact ND2-CZ3 3.35Å
186	T	90.8	Very high	93.5	Very high	21 Å²	21	55.8 Å²	55.8	13%	0.129	29%	0.291	C	S	.	.	H	α-helix	trans	-56.3	-44.5	166.5	-42.6	0	0	0	0	110.3	W119 S183 F188 F189 M190	W119-T186 HydrophobicContact CH2-CG2 4.3Å; W119-T186 HydrophobicContact CZ2-CG2 4.24Å; S183-T186 WeakPolarHBondContact O-CB 3.38Å; S183-T186 PolarHBondContact O-N 2.97Å; S183-T186 PolarHBondContact OG-N 2.89Å; S183-T186 PolarHBondContact OG-OG1 2.95Å; T186-F188 PolarHBondContact O-N 2.85Å; T186-F189 PolarHBondContact O-N 3.32Å; T186-M190 HydrophobicContact CG2-CG 4.48Å; T186-M190 WeakPolarHBondContact O-CG 3.18Å; T186-M190 PolarHBondContact O-N 2.91Å
187	M	93.7	Very high	93.5	Very high	30 Å²	30	52.3 Å²	52.3	15%	0.148	27%	0.273	C	S	.	.	H	α-helix	trans	-56.3	-49.9	175.4	-162.1	-178.6	66.1	0	0	112	S183 L184 N185 M190 L191	S183-M187 PolarHBondContact O-N 3.5Å; L184-M187 HydrophobicContact CD2-CE 3.89Å; L184-M187 HydrophobicContact CD2-SD 4.44Å; L184-M187 VanDerWaalsContact O-CB 3.26Å; L184-M187 WeakPolarHBondContact O-CB 3.48Å; L184-M187 PolarHBondContact O-N 3.34Å; N185-M187 VanDerWaalsContact C-N 3.27Å; N185-M187 PolarHBondContact O-N 3.13Å; M187-M190 PolarHBondContact O-N 3.31Å; M187-L191 HydrophobicContact CE-CD1 4.33Å; M187-L191 HydrophobicContact CG-CD1 3.79Å; M187-L191 HydrophobicContact CG-CG 4.33Å; M187-L191 VanDerWaalsContact O-CB 3.26Å; M187-L191 WeakPolarHBondContact O-CB 3.42Å; M187-L191 VanDerWaalsContact O-CG 3.28Å; M187-L191 WeakPolarHBondContact O-CG 3.44Å; M187-L191 PolarHBondContact O-N 3.32Å; M187-L191 HydrophobicContact SD-CD1 4.39Å
188	F	94	Very high	93.5	Very high	102 Å²	102	49.9 Å²	49.9	45%	0.447	26%	0.261	S	S	.	.	H	α-helix	trans	-66.6	-36.4	-179	-73.1	-56.6	0	0	0	113.1	L184 N185 T186 A192	L184-F188 HydrophobicContact CB-CE2 4.36Å; L184-F188 WeakPolarHBondContact O-CD2 3.35Å; L184-F188 WeakPolarHBondContact O-CG 3.26Å; L184-F188 PolarHBondContact O-N 2.93Å; N185-F188 PolarHBondContact O-N 3.39Å; T186-F188 PolarHBondContact O-N 2.85Å; F188-A192 VanDerWaalsContact O-CB 3.27Å; F188-A192 WeakPolarHBondContact O-CB 3.44Å; F188-A192 PolarHBondContact O-N 3.43Å
189	F	92.9	Very high	93.5	Very high	5 Å²	5	47.8 Å²	47.8	2%	0.022	25%	0.248	C	C	.	.	H	α-helix	trans	-64.4	-45	173.3	-62.9	-37	0	0	0	112.3	F103 L108 W119 N185 T186 H254 M255 W258	F103-F189 HydrophobicContact CE2-CD1 4.36Å; F103-F189 HydrophobicContact CZ-CB 4.12Å; F103-F189 HydrophobicContact CZ-CD1 4.25Å; F103-F189 HydrophobicContact CZ-CD2 4.34Å; F103-F189 AromaticContact CZ-CG 3.99Å; F103-F189 HydrophobicContact CZ-CG 3.99Å; L108-F189 HydrophobicContact CD2-CD2 4.02Å; L108-F189 HydrophobicContact CD2-CE2 4.17Å; W119-F189 HydrophobicContact CH2-CB 4.48Å; N185-F189 WeakPolarHBondContact O-CD2 3.28Å; N185-F189 WeakPolarHBondContact O-CG 3.43Å; N185-F189 PolarHBondContact O-N 2.82Å; T186-F189 PolarHBondContact O-N 3.32Å; F189-H254 AromaticContact CD1-CE1 3.65Å; F189-H254 AromaticContact CD1-ND1 3.53Å; F189-H254 AromaticContact CE1-CE1 3.27Å; F189-H254 WeakPolarHBondContact CE1-CE1 3.46Å; F189-H254 AromaticContact CE1-ND1 3.22Å; F189-H254 WeakPolarHBondContact CE1-ND1 3.32Å; F189-H254 AromaticContact CZ-CE1 3.69Å; F189-M255 HydrophobicContact CD1-CG 4.29Å; F189-M255 HydrophobicContact CE1-CB 4.47Å; F189-M255 HydrophobicContact CE1-CG 3.74Å; F189-W258 AromaticContact CE2-CD1 3.83Å; F189-W258 HydrophobicContact CE2-CD2 4.45Å; F189-W258 HydrophobicContact CE2-CG 4.15Å; F189-W258 AromaticContact CE2-NE1 3.87Å; F189-W258 HydrophobicContact CZ-CB 3.93Å; F189-W258 AromaticContact CZ-CD1 3.52Å; F189-W258 HydrophobicContact CZ-CD2 4.33Å; F189-W258 AromaticContact CZ-CG 3.65Å; F189-W258 HydrophobicContact CZ-CG 3.65Å
190	M	94.5	Very high	93.6	Very high	16 Å²	16	49.4 Å²	49.4	8%	0.079	26%	0.257	C	S	.	.	H	α-helix	trans	-65.2	-45.6	177.8	-61.5	-76.3	-81.1	0	0	111.1	W119 W122 T186 M187 V194	W119-M190 HydrophobicContact CE3-SD 4.27Å; W119-M190 HydrophobicContact CH2-CG 4.27Å; W119-M190 HydrophobicContact CH2-SD 3.82Å; W119-M190 HydrophobicContact CZ3-CG 4.38Å; W119-M190 HydrophobicContact CZ3-SD 3.48Å; W119-M190 WeakPolarHBondContact CZ3-SD 3.4Å; W122-M190 HydrophobicContact CD2-CE 3.46Å; W122-M190 VanDerWaalsContact CD2-CE 3.46Å; W122-M190 HydrophobicContact CD2-SD 3.9Å; W122-M190 HydrophobicContact CE3-CE 3.66Å; W122-M190 HydrophobicContact CG-CE 4.06Å; W122-M190 HydrophobicContact CG-SD 4.06Å; W122-M190 HydrophobicContact CH2-CE 3.8Å; W122-M190 HydrophobicContact CZ2-CB 4.05Å; W122-M190 HydrophobicContact CZ2-CE 3.59Å; W122-M190 HydrophobicContact CZ2-SD 3.92Å; W122-M190 HydrophobicContact CZ3-CE 3.81Å; W122-M190 PolarHBondContact NE1-SD 3.34Å; T186-M190 HydrophobicContact CG2-CG 4.48Å; T186-M190 WeakPolarHBondContact O-CG 3.18Å; T186-M190 PolarHBondContact O-N 2.91Å; M187-M190 PolarHBondContact O-N 3.31Å; M190-V194 WeakPolarHBondContact O-CG2 2.99Å; M190-V194 PolarHBondContact O-N 2.9Å
191	L	95.6	Very high	93.6	Very high	39 Å²	39	45.7 Å²	45.7	20%	0.204	23%	0.226	C	C	.	.	H	α-helix	trans	-65.2	-37.3	178.9	-77.1	175.3	0	0	0	113.3	M172 I176 M187 E193 V194 F195	M172-L191 HydrophobicContact CG-CD2 3.82Å; I176-L191 HydrophobicContact CG1-CD1 4.49Å; I176-L191 HydrophobicContact CG1-CD2 4.12Å; M187-L191 HydrophobicContact CE-CD1 4.33Å; M187-L191 HydrophobicContact CG-CD1 3.79Å; M187-L191 HydrophobicContact CG-CG 4.33Å; M187-L191 VanDerWaalsContact O-CB 3.26Å; M187-L191 WeakPolarHBondContact O-CB 3.42Å; M187-L191 VanDerWaalsContact O-CG 3.28Å; M187-L191 WeakPolarHBondContact O-CG 3.44Å; M187-L191 PolarHBondContact O-N 3.32Å; M187-L191 HydrophobicContact SD-CD1 4.39Å; L191-E193 VanDerWaalsContact C-N 3.33Å; L191-E193 PolarHBondContact O-N 3.02Å; L191-V194 PolarHBondContact O-N 3.06Å; L191-F195 WeakPolarHBondContact O-CB 2.85Å; L191-F195 PolarHBondContact O-N 3.08Å
192	A	94.5	Very high	93.6	Very high	18 Å²	18	39.4 Å²	39.4	15%	0.149	20%	0.202	C	C	.	.	H	α-helix	trans	-60.1	-41.4	-179.6	0	0	0	0	0	112.5	F188 Q196 H251	F188-A192 VanDerWaalsContact O-CB 3.27Å; F188-A192 WeakPolarHBondContact O-CB 3.44Å; F188-A192 PolarHBondContact O-N 3.43Å; A192-Q196 WeakPolarHBondContact O-CG 3.23Å; A192-Q196 PolarHBondContact O-N 2.93Å; A192-Q196 VanDerWaalsContact O-N 3.11Å; A192-H251 HydrophobicContact CB-CB 3.89Å; A192-H251 WeakPolarHBondContact CB-ND1 3.45Å
193	E	93.5	Very high	93.8	Very high	13 Å²	13	32.8 Å²	32.8	6%	0.061	17%	0.172	C	C	.	.	H	α-helix	trans	-69	-43.3	177.6	-60.4	-67	156	0	0	112.3	K100 F123 L126 L191 F195 Q196 L197 H251	K100-E193 WeakPolarHBondContact CE-OE2 3.32Å; K100-E193 IonicContact NZ-OE1 2.58Å; K100-E193 PolarHBondContact NZ-OE1 3.48Å; K100-E193 IonicContact NZ-OE2 2.73Å; K100-E193 PolarHBondContact NZ-OE2 3.24Å; F123-E193 HydrophobicContact CE1-CG 4.09Å; L126-E193 HydrophobicContact CD1-CB 3.63Å; L126-E193 HydrophobicContact CD1-CG 4.26Å; L126-E193 HydrophobicContact CD2-CB 4.49Å; L191-E193 VanDerWaalsContact C-N 3.33Å; L191-E193 PolarHBondContact O-N 3.02Å; E193-F195 VanDerWaalsContact C-N 3.32Å; E193-Q196 PolarHBondContact O-N 3.12Å; E193-L197 PolarHBondContact O-N 3.2Å; E193-L197 VanDerWaalsContact O-N 3.07Å; E193-H251 IonicContact OE1-NE2 3.98Å
194	V	96.3	Very high	93.8	Very high	1 Å²	1	31.4 Å²	31.4	1%	0.006	16%	0.162	C	C	.	.	H	α-helix	trans	-67.3	-36.2	177.8	178.6	0	0	0	0	110.9	W122 L126 S168 L171 M172 M190 L191 L197 L198	W122-V194 HydrophobicContact CH2-CG2 3.86Å; W122-V194 HydrophobicContact CZ2-CG2 3.68Å; L126-V194 HydrophobicContact CD2-CG2 4.12Å; S168-V194 VanDerWaalsContact O-CG1 3.29Å; S168-V194 WeakPolarHBondContact O-CG1 3.15Å; L171-V194 HydrophobicContact CB-CG1 4.23Å; L171-V194 HydrophobicContact CB-CG2 3.82Å; M172-V194 HydrophobicContact CB-CG1 3.81Å; M172-V194 HydrophobicContact CG-CG1 4.5Å; M190-V194 WeakPolarHBondContact O-CG2 2.99Å; M190-V194 PolarHBondContact O-N 2.9Å; L191-V194 PolarHBondContact O-N 3.06Å; V194-L197 PolarHBondContact O-N 2.94Å; V194-L198 VanDerWaalsContact O-CB 3.28Å; V194-L198 WeakPolarHBondContact O-CB 2.93Å; V194-L198 PolarHBondContact O-N 3.49Å
195	F	95.6	Very high	93.8	Very high	89 Å²	89	27.4 Å²	27.4	39%	0.39	14%	0.141	S	C	.	.	H	α-helix	trans	-61.6	-42.2	173.7	176.5	-100.4	0	0	0	111.8	L191 E193 L198 I199 I243	L191-F195 WeakPolarHBondContact O-CB 2.85Å; L191-F195 PolarHBondContact O-N 3.08Å; E193-F195 VanDerWaalsContact C-N 3.32Å; F195-L198 PolarHBondContact O-N 2.88Å; F195-I199 HydrophobicContact CD1-CD1 3.77Å; F195-I199 HydrophobicContact CD2-CD1 4.36Å; F195-I199 HydrophobicContact CE1-CD1 3.29Å; F195-I199 HydrophobicContact CE2-CD1 3.96Å; F195-I199 HydrophobicContact CG-CD1 4.29Å; F195-I199 HydrophobicContact CZ-CD1 3.42Å; F195-I199 VanDerWaalsContact CZ-CD1 3.42Å; F195-I199 HydrophobicContact CZ-CG1 4.47Å; F195-I199 WeakPolarHBondContact O-CG1 3.22Å; F195-I199 PolarHBondContact O-N 3.36Å; F195-I243 HydrophobicContact CZ-CG2 4.3Å
196	Q	94	Very high	93.8	Very high	12 Å²	12	27.3 Å²	27.3	6%	0.056	14%	0.142	C	C	.	.	H	α-helix	trans	-65.8	-39.9	173.9	-71.2	-62.5	-1.9	0	0	112.5	A192 E193 V200 A244 D248	A192-Q196 WeakPolarHBondContact O-CG 3.23Å; A192-Q196 PolarHBondContact O-N 2.93Å; A192-Q196 VanDerWaalsContact O-N 3.11Å; E193-Q196 PolarHBondContact O-N 3.12Å; Q196-V200 VanDerWaalsContact O-CG2 3.31Å; Q196-V200 WeakPolarHBondContact O-CG2 3.49Å; Q196-V200 PolarHBondContact O-N 3.32Å; Q196-V200 VanDerWaalsContact O-N 3.09Å; Q196-A244 PolarHBondContact NE2-O 3.28Å; Q196-D248 VanDerWaalsContact NE2-N 3.11Å; Q196-D248 PolarHBondContact NE2-OD1 2.88Å
197	L	95	Very high	93.8	Very high	7 Å²	7	27.1 Å²	27.1	4%	0.037	14%	0.139	C	C	.	.	H	α-helix	trans	-63.9	-41.4	173.2	-178	63.5	0	0	0	111.8	L126 L129 S168 L171 E193 V194 V200 T201	L126-L197 HydrophobicContact CD2-CD2 4.12Å; L129-L197 HydrophobicContact CB-CD1 3.93Å; L129-L197 HydrophobicContact CB-CD2 3.72Å; L129-L197 HydrophobicContact CD1-CD2 3.8Å; L129-L197 HydrophobicContact CG-CD2 4.38Å; S168-L197 WeakPolarHBondContact OG-CD2 3.37Å; L171-L197 HydrophobicContact CD1-CD2 4.41Å; E193-L197 PolarHBondContact O-N 3.2Å; E193-L197 VanDerWaalsContact O-N 3.07Å; V194-L197 PolarHBondContact O-N 2.94Å; L197-V200 PolarHBondContact O-N 2.86Å; L197-T201 HydrophobicContact CD1-CG2 4.27Å; L197-T201 WeakPolarHBondContact O-CB 3.24Å; L197-T201 WeakPolarHBondContact O-CG2 3.25Å; L197-T201 PolarHBondContact O-N 3.2Å; L197-T201 PolarHBondContact O-OG1 3.5Å
198	L	95.5	Very high	93.4	Very high	38 Å²	38	26.2 Å²	26.2	20%	0.199	13%	0.134	C	C	.	.	H	α-helix	trans	-63.8	-44.7	177.9	-174.2	65.4	0	0	0	111.6	L165 M172 V194 F195 T201 V202	L165-L198 HydrophobicContact CD1-CD1 3.44Å; L165-L198 VanDerWaalsContact CD1-CD1 3.44Å; M172-L198 HydrophobicContact SD-CD2 4.41Å; V194-L198 VanDerWaalsContact O-CB 3.28Å; V194-L198 WeakPolarHBondContact O-CB 2.93Å; V194-L198 PolarHBondContact O-N 3.49Å; F195-L198 PolarHBondContact O-N 2.88Å; L198-T201 WeakPolarHBondContact CA-OG1 3.45Å; L198-T201 PolarHBondContact O-OG1 3.49Å; L198-V202 HydrophobicContact CD1-CG2 4.22Å; L198-V202 HydrophobicContact CG-CG2 4.48Å; L198-V202 WeakPolarHBondContact O-CB 3.39Å; L198-V202 VanDerWaalsContact O-CG2 3.23Å; L198-V202 WeakPolarHBondContact O-CG2 3.22Å; L198-V202 PolarHBondContact O-N 2.88Å
199	I	95.3	Very high	93.1	Very high	16 Å²	16	24.9 Å²	24.9	8%	0.082	13%	0.134	C	C	.	.	H	α-helix	trans	-63.5	-45.7	176.5	-74.7	169.9	0	0	0	111.1	F195 V202 H203 F240 I243 A244	F195-I199 HydrophobicContact CD1-CD1 3.77Å; F195-I199 HydrophobicContact CD2-CD1 4.36Å; F195-I199 HydrophobicContact CE1-CD1 3.29Å; F195-I199 HydrophobicContact CE2-CD1 3.96Å; F195-I199 HydrophobicContact CG-CD1 4.29Å; F195-I199 HydrophobicContact CZ-CD1 3.42Å; F195-I199 VanDerWaalsContact CZ-CD1 3.42Å; F195-I199 HydrophobicContact CZ-CG1 4.47Å; F195-I199 WeakPolarHBondContact O-CG1 3.22Å; F195-I199 PolarHBondContact O-N 3.36Å; I199-V202 PolarHBondContact O-N 3.47Å; I199-H203 WeakPolarHBondContact O-CB 3.29Å; I199-H203 PolarHBondContact O-N 3.44Å; I199-F240 HydrophobicContact CG2-CD1 4.34Å; I199-I243 HydrophobicContact CD1-CB 4.35Å; I199-I243 HydrophobicContact CD1-CG2 3.62Å; I199-I243 HydrophobicContact CG1-CG2 4.49Å; I199-A244 HydrophobicContact CG2-CB 3.94Å
200	V	92.4	Very high	93	Very high	35 Å²	35	25.5 Å²	25.5	21%	0.212	14%	0.139	C	C	.	.	H	α-helix	trans	-69.3	-36.4	-177.8	179.1	0	0	0	0	111.4	T133 Q196 L197 V204	T133-V200 HydrophobicContact CG2-CG1 3.82Å; Q196-V200 VanDerWaalsContact O-CG2 3.31Å; Q196-V200 WeakPolarHBondContact O-CG2 3.49Å; Q196-V200 PolarHBondContact O-N 3.32Å; Q196-V200 VanDerWaalsContact O-N 3.09Å; L197-V200 PolarHBondContact O-N 2.86Å; V200-V204 WeakPolarHBondContact O-CG2 3.46Å; V200-V204 PolarHBondContact O-N 3Å; V200-V204 VanDerWaalsContact O-N 3.12Å
201	T	93.4	Very high	92.4	Very high	3 Å²	3	25.3 Å²	25.3	2%	0.018	14%	0.137	C	C	.	.	H	α-helix	trans	-67.5	-47	173.9	48.4	0	0	0	0	112.1	T133 L164 L197 L198 H203 V204 I205	T133-T201 HydrophobicContact CG2-CG2 3.61Å; T133-T201 WeakPolarHBondContact OG1-CG2 3.45Å; L164-T201 HydrophobicContact CB-CG2 3.99Å; L197-T201 HydrophobicContact CD1-CG2 4.27Å; L197-T201 WeakPolarHBondContact O-CB 3.24Å; L197-T201 WeakPolarHBondContact O-CG2 3.25Å; L197-T201 PolarHBondContact O-N 3.2Å; L197-T201 PolarHBondContact O-OG1 3.5Å; L198-T201 WeakPolarHBondContact CA-OG1 3.45Å; L198-T201 PolarHBondContact O-OG1 3.49Å; T201-H203 PolarHBondContact O-N 2.94Å; T201-V204 PolarHBondContact O-N 3.28Å; T201-I205 WeakPolarHBondContact O-CG1 3.34Å; T201-I205 PolarHBondContact O-N 2.85Å
202	V	94.5	Very high	91.8	Very high	45 Å²	45	25.8 Å²	25.8	27%	0.273	14%	0.14	S	C	.	.	H	α-helix	trans	-64.2	-40.7	177	175.3	0	0	0	0	111.2	L165 L198 I199 V204 I205 T206 F240	L165-V202 HydrophobicContact CD1-CG2 3.96Å; L198-V202 HydrophobicContact CD1-CG2 4.22Å; L198-V202 HydrophobicContact CG-CG2 4.48Å; L198-V202 WeakPolarHBondContact O-CB 3.39Å; L198-V202 VanDerWaalsContact O-CG2 3.23Å; L198-V202 WeakPolarHBondContact O-CG2 3.22Å; L198-V202 PolarHBondContact O-N 2.88Å; I199-V202 PolarHBondContact O-N 3.47Å; V202-V204 PolarHBondContact O-N 3.21Å; V202-I205 PolarHBondContact O-N 3.45Å; V202-T206 PolarHBondContact O-N 3.03Å; V202-T206 PolarHBondContact O-OG1 3.42Å; V202-F240 HydrophobicContact CB-CE1 4.33Å; V202-F240 HydrophobicContact CG1-CE1 3.73Å; V202-F240 HydrophobicContact CG1-CZ 3.88Å
203	H	93.6	Very high	91.4	Very high	5 Å²	5	32 Å²	32	2%	0.023	16%	0.16	C	C	.	.	H	α-helix	trans	-55.6	-49.9	173.7	-177.9	180	0	0	0	111	R137 I199 T201 I205 T206 W207 F240 D241	R137-H203 PolarHBondContact NH2-CE1 3.03Å; I199-H203 WeakPolarHBondContact O-CB 3.29Å; I199-H203 PolarHBondContact O-N 3.44Å; T201-H203 PolarHBondContact O-N 2.94Å; H203-I205 VanDerWaalsContact C-N 3.32Å; H203-I205 PolarHBondContact O-N 3.11Å; H203-T206 PolarHBondContact O-N 3.02Å; H203-W207 WeakPolarHBondContact O-CB 3.48Å; H203-W207 PolarHBondContact O-N 3.48Å; H203-F240 HydrophobicContact CB-CB 3.66Å; H203-F240 HydrophobicContact CB-CD1 3.84Å; H203-F240 HydrophobicContact CB-CD2 4.01Å; H203-F240 HydrophobicContact CB-CE1 4.5Å; H203-F240 HydrophobicContact CB-CG 3.56Å; H203-F240 AromaticContact CD2-CD2 3.71Å; H203-F240 AromaticContact CD2-CG 3.92Å; H203-F240 AromaticContact CG-CD2 3.92Å; H203-F240 AromaticContact CG-CG 3.66Å; H203-F240 WeakPolarHBondContact ND1-CB 3.49Å; H203-D241 IonicContact CE1-OD1 2.94Å; H203-D241 PolarHBondContact CE1-OD1 3.48Å; H203-D241 IonicContact ND1-OD1 3.19Å; H203-D241 PolarHBondContact ND1-OD1 3.21Å
204	V	91.5	Very high	90.9	Very high	5 Å²	5	31.6 Å²	31.6	3%	0.03	16%	0.159	C	C	.	.	H	α-helix	trans	-60.1	-41.4	177.8	168.6	0	0	0	0	111.6	T133 I136 R137 V200 T201 V202 Y208	T133-V204 HydrophobicContact CG2-CG2 4.29Å; I136-V204 HydrophobicContact CB-CG1 4.35Å; I136-V204 HydrophobicContact CG2-CG1 3.62Å; R137-V204 HydrophobicContact CB-CG2 3.81Å; R137-V204 HydrophobicContact CG-CG2 4.25Å; V200-V204 WeakPolarHBondContact O-CG2 3.46Å; V200-V204 PolarHBondContact O-N 3Å; V200-V204 VanDerWaalsContact O-N 3.12Å; T201-V204 PolarHBondContact O-N 3.28Å; V202-V204 PolarHBondContact O-N 3.21Å; V204-Y208 WeakPolarHBondContact O-CB 3.11Å; V204-Y208 PolarHBondContact O-N 3.04Å
205	I	92	Very high	90	Very high	27 Å²	27	32.5 Å²	32.5	14%	0.138	16%	0.163	C	C	.	.	H	α-helix	trans	-64	-50.6	176.1	-66.2	164.8	0	0	0	111.1	F158 C161 L165 T201 V202 H203 Y208 V209	F158-I205 HydrophobicContact CE2-CG2 4.4Å; C161-I205 HydrophobicContact CB-CD1 3.98Å; C161-I205 HydrophobicContact CB-CG1 3.56Å; L165-I205 HydrophobicContact CB-CD1 4.33Å; L165-I205 HydrophobicContact CD2-CD1 4.02Å; T201-I205 WeakPolarHBondContact O-CG1 3.34Å; T201-I205 PolarHBondContact O-N 2.85Å; V202-I205 PolarHBondContact O-N 3.45Å; H203-I205 VanDerWaalsContact C-N 3.32Å; H203-I205 PolarHBondContact O-N 3.11Å; I205-Y208 WeakPolarHBondContact O-CB 3.21Å; I205-Y208 PolarHBondContact O-N 3.5Å; I205-V209 HydrophobicContact CG2-CG2 4.42Å; I205-V209 WeakPolarHBondContact O-CG2 3.45Å; I205-V209 PolarHBondContact O-N 2.9Å
206	T	91.8	Very high	89.3	Confident	47 Å²	47	32.5 Å²	32.5	29%	0.288	17%	0.17	S	C	.	.	H	α-helix	trans	-65.5	-42	-178.6	-56	0	0	0	0	111.5	V202 H203 Y208 V209 V210 T236 F240	V202-T206 PolarHBondContact O-N 3.03Å; V202-T206 PolarHBondContact O-OG1 3.42Å; H203-T206 PolarHBondContact O-N 3.02Å; T206-Y208 VanDerWaalsContact C-N 3.29Å; T206-Y208 PolarHBondContact O-N 3.39Å; T206-V209 PolarHBondContact O-N 3.36Å; T206-V210 HydrophobicContact CG2-CG2 4.14Å; T206-V210 VanDerWaalsContact O-CB 3.24Å; T206-V210 WeakPolarHBondContact O-CB 3.38Å; T206-V210 VanDerWaalsContact O-CG2 3.23Å; T206-V210 WeakPolarHBondContact O-CG2 3.42Å; T206-V210 PolarHBondContact O-N 3.46Å; T206-T236 HydrophobicContact CG2-CG2 4.02Å; T206-F240 HydrophobicContact CG2-CE2 3.79Å; T206-F240 HydrophobicContact CG2-CZ 4.26Å
207	W	89.9	Confident	88.7	Confident	16 Å²	16	32.7 Å²	32.7	6%	0.061	17%	0.174	C	C	.	.	H	α-helix	trans	-58.4	-42.7	174.8	-169	96.7	0	0	0	111.6	Q141 L144 H203 Y211 L233 E237	Q141-W207 HydrophobicContact CB-CH2 4.24Å; Q141-W207 HydrophobicContact CG-CE3 4.46Å; Q141-W207 HydrophobicContact CG-CH2 3.85Å; Q141-W207 HydrophobicContact CG-CZ2 3.84Å; Q141-W207 HydrophobicContact CG-CZ3 4.13Å; L144-W207 HydrophobicContact CB-CH2 4.46Å; L144-W207 HydrophobicContact CB-CZ3 4.33Å; L144-W207 HydrophobicContact CD1-CE3 4.35Å; L144-W207 HydrophobicContact CD1-CZ3 3.65Å; H203-W207 WeakPolarHBondContact O-CB 3.48Å; H203-W207 PolarHBondContact O-N 3.48Å; W207-Y211 HydrophobicContact CH2-CD2 4.41Å; W207-Y211 WeakPolarHBondContact O-CB 3.48Å; W207-Y211 PolarHBondContact O-N 3.32Å; W207-L233 HydrophobicContact CD2-CD2 4.24Å; W207-L233 HydrophobicContact CG-CD2 4.28Å; W207-L233 HydrophobicContact CZ2-CD2 4.34Å; W207-E237 PolarHBondContact NE1-OE1 3.26Å
208	Y	85.7	Confident	87.8	Confident	12 Å²	12	34.1 Å²	34.1	5%	0.047	18%	0.184	C	C	.	.	H	α-helix	trans	-67.1	-44.3	177.4	-177	-99.3	0	0	0	112.9	L144 Q154 I157 F158 V204 I205 T206 Y211 L212	L144-Y208 HydrophobicContact CD1-CD2 3.57Å; L144-Y208 HydrophobicContact CD1-CE2 3.9Å; L144-Y208 HydrophobicContact CD2-CE2 4.43Å; Q154-Y208 WeakPolarHBondContact CA-OH 3.49Å; Q154-Y208 WeakPolarHBondContact CB-OH 3.44Å; Q154-Y208 WeakPolarHBondContact CG-OH 3.32Å; Q154-Y208 PolarHBondContact O-OH 2.94Å; I157-Y208 HydrophobicContact CG2-CE2 4.49Å; F158-Y208 HydrophobicContact CB-CE1 4.23Å; F158-Y208 HydrophobicContact CD2-CD1 4.13Å; F158-Y208 HydrophobicContact CD2-CE1 4.12Å; V204-Y208 WeakPolarHBondContact O-CB 3.11Å; V204-Y208 PolarHBondContact O-N 3.04Å; I205-Y208 WeakPolarHBondContact O-CB 3.21Å; I205-Y208 PolarHBondContact O-N 3.5Å; T206-Y208 VanDerWaalsContact C-N 3.29Å; T206-Y208 PolarHBondContact O-N 3.39Å; Y208-Y211 WeakPolarHBondContact O-CB 3.28Å; Y208-Y211 PolarHBondContact O-N 2.64Å; Y208-L212 HydrophobicContact CD1-CD1 4.03Å; Y208-L212 HydrophobicContact CE1-CD1 3.46Å; Y208-L212 VanDerWaalsContact CE1-CD1 3.46Å; Y208-L212 HydrophobicContact CE1-CG 4.33Å; Y208-L212 WeakPolarHBondContact O-CG 3.36Å; Y208-L212 PolarHBondContact O-N 3.06Å
209	V	88.4	Confident	86.8	Confident	74 Å²	74	41 Å²	41	45%	0.448	21%	0.208	S	C	.	.	H	α-helix	trans	-65.9	-43.3	175.9	171.1	0	0	0	0	111.3	F158 I205 T206 Y211 L212 Y213	F158-V209 HydrophobicContact CE2-CG2 4.33Å; I205-V209 HydrophobicContact CG2-CG2 4.42Å; I205-V209 WeakPolarHBondContact O-CG2 3.45Å; I205-V209 PolarHBondContact O-N 2.9Å; T206-V209 PolarHBondContact O-N 3.36Å; V209-Y211 VanDerWaalsContact C-N 3.33Å; V209-Y211 PolarHBondContact O-N 3.21Å; V209-L212 PolarHBondContact O-N 3.1Å; V209-Y213 WeakPolarHBondContact O-CB 3.4Å; V209-Y213 PolarHBondContact O-N 3.3Å
210	V	89.1	Confident	85.7	Confident	18 Å²	18	46.4 Å²	46.4	11%	0.109	24%	0.236	C	C	.	.	H	α-helix	trans	-59.3	-44.1	173.6	163.6	0	0	0	0	110.8	T206 C214 L232 L233	T206-V210 HydrophobicContact CG2-CG2 4.14Å; T206-V210 VanDerWaalsContact O-CB 3.24Å; T206-V210 WeakPolarHBondContact O-CB 3.38Å; T206-V210 VanDerWaalsContact O-CG2 3.23Å; T206-V210 WeakPolarHBondContact O-CG2 3.42Å; T206-V210 PolarHBondContact O-N 3.46Å; V210-C214 WeakPolarHBondContact O-CB 3.28Å; V210-C214 PolarHBondContact O-N 3.45Å; V210-C214 PolarHBondContact O-SG 3.34Å; V210-L232 HydrophobicContact CG1-CB 4.28Å; V210-L232 HydrophobicContact CG1-CD2 3.8Å; V210-L232 HydrophobicContact CG1-CG 3.7Å; V210-L232 HydrophobicContact CG2-CD2 4.36Å; V210-L232 HydrophobicContact CG2-CG 4.37Å; V210-L233 HydrophobicContact CB-CD2 4.43Å; V210-L233 HydrophobicContact CG1-CD2 3.67Å; V210-L233 HydrophobicContact CG1-CG 4.02Å
211	Y	83.8	Confident	84.2	Confident	11 Å²	11	49.5 Å²	49.5	4%	0.043	25%	0.252	C	S	.	.	H	α-helix	trans	-57.8	-52.3	174.9	-179	-77.1	0	0	0	111.2	L144 W207 Y208 V209 Y213 C214 E215 R229	L144-Y211 HydrophobicContact CB-CD1 4.15Å; L144-Y211 HydrophobicContact CB-CD2 3.84Å; L144-Y211 HydrophobicContact CB-CE1 4.1Å; L144-Y211 HydrophobicContact CB-CE2 3.7Å; L144-Y211 HydrophobicContact CB-CG 4.11Å; L144-Y211 HydrophobicContact CD1-CD1 3.74Å; L144-Y211 HydrophobicContact CD1-CD2 4.15Å; L144-Y211 HydrophobicContact CD1-CE1 4.44Å; L144-Y211 HydrophobicContact CD1-CG 3.66Å; L144-Y211 HydrophobicContact CD2-CD1 3.86Å; L144-Y211 HydrophobicContact CD2-CE1 3.85Å; L144-Y211 HydrophobicContact CG-CD1 4.12Å; L144-Y211 HydrophobicContact CG-CE1 4.34Å; L144-Y211 HydrophobicContact CG-CG 4.3Å; L144-Y211 WeakPolarHBondContact O-CE2 3.34Å; L144-Y211 PolarHBondContact O-OH 3.22Å; L144-Y211 VanDerWaalsContact O-OH 3.06Å; W207-Y211 HydrophobicContact CH2-CD2 4.41Å; W207-Y211 WeakPolarHBondContact O-CB 3.48Å; W207-Y211 PolarHBondContact O-N 3.32Å; Y208-Y211 WeakPolarHBondContact O-CB 3.28Å; Y208-Y211 PolarHBondContact O-N 2.64Å; V209-Y211 VanDerWaalsContact C-N 3.33Å; V209-Y211 PolarHBondContact O-N 3.21Å; Y211-Y213 PolarHBondContact O-N 3.11Å; Y211-C214 PolarHBondContact O-N 3.43Å; Y211-E215 HydrophobicContact CD1-CB 4.43Å; Y211-E215 HydrophobicContact CE1-CB 3.9Å; Y211-E215 HydrophobicContact CE1-CG 4.29Å; Y211-E215 WeakPolarHBondContact O-CB 2.99Å; Y211-E215 PolarHBondContact O-N 2.86Å; Y211-E215 PolarHBondContact OH-OE2 3.43Å; Y211-E215 VanDerWaalsContact OH-OE2 3.08Å; Y211-R229 PolarHBondContact OH-NH2 3.38Å
212	L	82.9	Confident	82.8	Confident	50 Å²	50	54.5 Å²	54.5	26%	0.262	28%	0.278	S	S	.	.	H	α-helix	trans	-63.4	-43.1	-177.5	-72.3	178.7	0	0	0	112	Y208 V209 C214 E215 V216	Y208-L212 HydrophobicContact CD1-CD1 4.03Å; Y208-L212 HydrophobicContact CE1-CD1 3.46Å; Y208-L212 VanDerWaalsContact CE1-CD1 3.46Å; Y208-L212 HydrophobicContact CE1-CG 4.33Å; Y208-L212 WeakPolarHBondContact O-CG 3.36Å; Y208-L212 PolarHBondContact O-N 3.06Å; V209-L212 PolarHBondContact O-N 3.1Å; L212-C214 VanDerWaalsContact C-N 3.33Å; L212-C214 PolarHBondContact O-N 3.36Å; L212-E215 PolarHBondContact O-N 2.81Å; L212-V216 WeakPolarHBondContact O-CG2 3.25Å; L212-V216 PolarHBondContact O-N 2.97Å
213	Y	85.2	Confident	81.1	Confident	147 Å²	147	55.5 Å²	55.5	58%	0.576	28%	0.282	S	S	*	.	H	α-helix	trans	-56.1	-47.6	173.2	173	-96.7	0	0	0	111.3	V209 Y211 V216 A217 L232	V209-Y213 WeakPolarHBondContact O-CB 3.4Å; V209-Y213 PolarHBondContact O-N 3.3Å; Y211-Y213 PolarHBondContact O-N 3.11Å; Y213-V216 PolarHBondContact O-N 3.39Å; Y213-A217 WeakPolarHBondContact O-CB 3.41Å; Y213-A217 PolarHBondContact O-N 3.01Å; Y213-L232 HydrophobicContact CD1-CD2 4.43Å
214	C	83.2	Confident	79.6	Confident	5 Å²	5	59.3 Å²	59.3	3%	0.034	30%	0.302	C	S	.	.	H	α-helix	trans	-68.4	-36.5	179.9	-67.6	0	0	0	0	113.1	V210 Y211 L212 S218 R229	V210-C214 WeakPolarHBondContact O-CB 3.28Å; V210-C214 PolarHBondContact O-N 3.45Å; V210-C214 PolarHBondContact O-SG 3.34Å; Y211-C214 PolarHBondContact O-N 3.43Å; L212-C214 VanDerWaalsContact C-N 3.33Å; L212-C214 PolarHBondContact O-N 3.36Å; C214-S218 VanDerWaalsContact O-CB 3.24Å; C214-S218 WeakPolarHBondContact O-CB 3.48Å; C214-S218 PolarHBondContact O-N 3.48Å; C214-S218 PolarHBondContact O-OG 3.43Å; C214-R229 HydrophobicContact CB-CB 3.75Å; C214-R229 HydrophobicContact CB-CG 3.61Å
215	E	78.2	Confident	78.4	Confident	20 Å²	20	62.4 Å²	62.4	9%	0.093	32%	0.316	C	S	.	.	H	α-helix	trans	-62.6	-50.5	173.8	-179.6	66.8	-152.3	0	0	110.6	Y211 L212 S218 R219 R229	Y211-E215 HydrophobicContact CD1-CB 4.43Å; Y211-E215 HydrophobicContact CE1-CB 3.9Å; Y211-E215 HydrophobicContact CE1-CG 4.29Å; Y211-E215 WeakPolarHBondContact O-CB 2.99Å; Y211-E215 PolarHBondContact O-N 2.86Å; Y211-E215 PolarHBondContact OH-OE2 3.43Å; Y211-E215 VanDerWaalsContact OH-OE2 3.08Å; L212-E215 PolarHBondContact O-N 2.81Å; E215-S218 PolarHBondContact O-N 3.34Å; E215-S218 PolarHBondContact O-OG 3.36Å; E215-R219 WeakPolarHBondContact O-CG 3.43Å; E215-R219 PolarHBondContact O-N 3.03Å; E215-R219 IonicContact OE1-CZ 3.44Å; E215-R219 IonicContact OE1-NE 2.68Å; E215-R219 PolarHBondContact OE1-NE 2.99Å; E215-R219 IonicContact OE1-NH2 3.23Å; E215-R219 PolarHBondContact OE1-NH2 3.34Å; E215-R229 IonicContact OE2-CZ 3.29Å; E215-R229 IonicContact OE2-NH1 2.91Å; E215-R229 PolarHBondContact OE2-NH1 3.35Å; E215-R229 IonicContact OE2-NH2 2.68Å
216	V	80.8	Confident	77.2	Confident	89 Å²	89	63.8 Å²	63.8	54%	0.539	33%	0.325	S	S	.	.	H	α-helix	trans	-61	-46.5	175.9	172.9	0	0	0	0	111.4	L212 Y213 S218 R219	L212-V216 WeakPolarHBondContact O-CG2 3.25Å; L212-V216 PolarHBondContact O-N 2.97Å; Y213-V216 PolarHBondContact O-N 3.39Å; V216-S218 VanDerWaalsContact C-N 3.28Å; V216-S218 PolarHBondContact O-N 3Å; V216-R219 PolarHBondContact O-N 3.32Å; V216-R219 VanDerWaalsContact O-N 3.13Å
217	A	81.4	Confident	76.2	Confident	17 Å²	17	65.1 Å²	65.1	14%	0.14	33%	0.325	C	S	.	.	H	α-helix	trans	-62.1	-34.2	178.8	0	0	0	0	0	112.7	Y213 R219 L220 K225	Y213-A217 WeakPolarHBondContact O-CB 3.41Å; Y213-A217 PolarHBondContact O-N 3.01Å; A217-R219 VanDerWaalsContact C-N 3.35Å; A217-L220 PolarHBondContact O-N 3.18Å; A217-K225 HydrophobicContact CB-CD 4.26Å; A217-K225 WeakPolarHBondContact O-CD 3.29Å
218	S	76.1	Confident	75.5	Confident	36 Å²	36	69 Å²	69	25%	0.252	34%	0.344	S	S	.	.	H	α-helix	trans	-75	-17.8	176.7	72.1	0	0	0	0	114.6	C214 E215 V216 L220	C214-S218 VanDerWaalsContact O-CB 3.24Å; C214-S218 WeakPolarHBondContact O-CB 3.48Å; C214-S218 PolarHBondContact O-N 3.48Å; C214-S218 PolarHBondContact O-OG 3.43Å; E215-S218 PolarHBondContact O-N 3.34Å; E215-S218 PolarHBondContact O-OG 3.36Å; V216-S218 VanDerWaalsContact C-N 3.28Å; V216-S218 PolarHBondContact O-N 3Å; S218-L220 VanDerWaalsContact C-N 3.29Å
219	R	73.6	Confident	75.3	Confident	182 Å²	182	70.4 Å²	70.4	69%	0.687	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-14.6	173.7	-70.2	173.6	-173.5	-154.9	-1.5	113.2	E215 V216 A217	E215-R219 WeakPolarHBondContact O-CG 3.43Å; E215-R219 PolarHBondContact O-N 3.03Å; E215-R219 IonicContact OE1-CZ 3.44Å; E215-R219 IonicContact OE1-NE 2.68Å; E215-R219 PolarHBondContact OE1-NE 2.99Å; E215-R219 IonicContact OE1-NH2 3.23Å; E215-R219 PolarHBondContact OE1-NH2 3.34Å; V216-R219 PolarHBondContact O-N 3.32Å; V216-R219 VanDerWaalsContact O-N 3.13Å; A217-R219 VanDerWaalsContact C-N 3.35Å
220	L	71.8	Confident	74.9	Confident	131 Å²	131	69.6 Å²	69.6	69%	0.686	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.3	-38.2	-174.1	-70.4	166.9	0	0	0	114	A217 S218	A217-L220 PolarHBondContact O-N 3.18Å; S218-L220 VanDerWaalsContact C-N 3.29Å
221	N	62.2	Low	74.7	Confident	100 Å²	100	69.8 Å²	69.8	54%	0.535	34%	0.341	S	S	.	.	S	Bend	trans	-134.6	151.5	-178.5	-61.7	30.5	0	0	0	112.6	K225	N221-K225 HydrophobicContact CB-CD 4.08Å; N221-K225 VanDerWaalsContact CG-NZ 3.28Å; N221-K225 PolarHBondContact OD1-NZ 2.89Å
222	D	63.9	Low	74.9	Confident	107 Å²	107	71.8 Å²	71.8	57%	0.572	35%	0.352	S	S	*	.			trans	-68.2	150.9	-176.3	-149.4	-1.9	0	0	0	114.1	D224 R317	D222-D224 VanDerWaalsContact C-N 3.33Å; D222-D224 PolarHBondContact O-N 3.37Å; D222-R317 IonicContact OD1-CZ 3.34Å; D222-R317 IonicContact OD1-NH1 2.75Å; D222-R317 PolarHBondContact OD1-NH1 3.07Å; D222-R317 IonicContact OD1-NH2 2.99Å; D222-R317 IonicContact OD2-CZ 2.71Å; D222-R317 IonicContact OD2-NH1 3.76Å; D222-R317 PolarHBondContact OD2-NH1 2.92Å; D222-R317 IonicContact OD2-NH2 3.63Å; D222-R317 PolarHBondContact OD2-NH2 3Å
223	D	58.1	Low	75.1	Confident	67 Å²	67	70.3 Å²	70.3	36%	0.358	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	30.1	-55.9	176.9	-74.1	-35.4	0	0	0	121.2	K225 V226 R317	D223-K225 PolarHBondContact O-N 2.96Å; D223-K225 VanDerWaalsContact O-N 3.12Å; D223-V226 VanDerWaalsContact O-CB 3.23Å; D223-V226 WeakPolarHBondContact O-CB 3.41Å; D223-V226 WeakPolarHBondContact O-CG2 3.23Å; D223-V226 PolarHBondContact O-N 2.81Å; D223-R317 IonicContact OD1-NH1 3.48Å; D223-R317 WeakPolarHBondContact OD2-CD 3.31Å; D223-R317 IonicContact OD2-CZ 3.82Å; D223-R317 IonicContact OD2-NE 3.97Å; D223-R317 IonicContact OD2-NH1 2.75Å; D223-R317 PolarHBondContact OD2-NH1 2.98Å
224	D	62.3	Low	75.3	Confident	84 Å²	84	64 Å²	64	45%	0.449	32%	0.32	S	S	.	.	H	α-helix	trans	-64.2	-25.7	-164.1	-93.9	-3.9	0	0	0	114.4	D222 V226 Y227 K318	D222-D224 VanDerWaalsContact C-N 3.33Å; D222-D224 PolarHBondContact O-N 3.37Å; D224-V226 VanDerWaalsContact C-N 3.28Å; D224-V226 PolarHBondContact O-N 2.8Å; D224-Y227 PolarHBondContact O-N 2.93Å; D224-K318 WeakPolarHBondContact OD1-CD 3.37Å; D224-K318 WeakPolarHBondContact OD1-CE 3.29Å; D224-K318 IonicContact OD1-NZ 3.53Å; D224-K318 PolarHBondContact OD1-NZ 3.21Å; D224-K318 IonicContact OD2-NZ 3.24Å; D224-K318 PolarHBondContact OD2-NZ 3.27Å
225	K	65.7	Low	75.6	Confident	71 Å²	71	68 Å²	68	31%	0.309	34%	0.335	S	S	.	.	H	α-helix	trans	-73.9	-18.6	174.8	-65.4	-179.7	-178.4	174.7	0	113	A217 N221 D223 Y227 H228 R229	A217-K225 HydrophobicContact CB-CD 4.26Å; A217-K225 WeakPolarHBondContact O-CD 3.29Å; N221-K225 HydrophobicContact CB-CD 4.08Å; N221-K225 VanDerWaalsContact CG-NZ 3.28Å; N221-K225 PolarHBondContact OD1-NZ 2.89Å; D223-K225 PolarHBondContact O-N 2.96Å; D223-K225 VanDerWaalsContact O-N 3.12Å; K225-Y227 VanDerWaalsContact C-N 3.34Å; K225-H228 PolarHBondContact O-N 2.98Å; K225-R229 PolarHBondContact O-N 2.82Å
226	V	67.9	Low	76.3	Confident	55 Å²	55	67.7 Å²	67.7	33%	0.333	33%	0.334	S	S	.	.	H	α-helix	trans	-68	-35.9	174.4	-177.5	0	0	0	0	110.8	D223 D224 R229 F230 A331	D223-V226 VanDerWaalsContact O-CB 3.23Å; D223-V226 WeakPolarHBondContact O-CB 3.41Å; D223-V226 WeakPolarHBondContact O-CG2 3.23Å; D223-V226 PolarHBondContact O-N 2.81Å; D224-V226 VanDerWaalsContact C-N 3.28Å; D224-V226 PolarHBondContact O-N 2.8Å; V226-R229 WeakPolarHBondContact O-CB 3.35Å; V226-F230 HydrophobicContact CG1-CD2 4.39Å; V226-F230 HydrophobicContact CG1-CE2 3.82Å; V226-F230 WeakPolarHBondContact O-CD2 3.24Å; V226-A331 HydrophobicContact CG1-CB 3.98Å
227	Y	69.7	Low	76.7	Confident	75 Å²	75	65.8 Å²	65.8	29%	0.294	32%	0.319	S	S	.	.	H	α-helix	trans	-62.3	-50.5	170.7	157.4	-110.3	0	0	0	111.5	D224 K225 R229 F230 V231 T330 Y334	D224-Y227 PolarHBondContact O-N 2.93Å; K225-Y227 VanDerWaalsContact C-N 3.34Å; Y227-R229 PolarHBondContact O-N 3.38Å; Y227-F230 PolarHBondContact O-N 3.01Å; Y227-V231 HydrophobicContact CD2-CG2 3.86Å; Y227-V231 HydrophobicContact CE2-CG2 3.34Å; Y227-V231 PolarHBondContact O-N 2.99Å; Y227-T330 HydrophobicContact CD2-CG2 4.41Å; Y227-Y334 AromaticContact CD2-CD2 3.83Å; Y227-Y334 HydrophobicContact CD2-CD2 3.83Å; Y227-Y334 HydrophobicContact CD2-CE1 4.38Å; Y227-Y334 AromaticContact CD2-CE2 3.71Å; Y227-Y334 HydrophobicContact CD2-CE2 3.71Å; Y227-Y334 HydrophobicContact CD2-CG 4.32Å; Y227-Y334 HydrophobicContact CE2-CD1 4.11Å; Y227-Y334 HydrophobicContact CE2-CD2 4.04Å; Y227-Y334 AromaticContact CE2-CE1 3.64Å; Y227-Y334 HydrophobicContact CE2-CE1 3.64Å; Y227-Y334 AromaticContact CE2-CE2 3.64Å; Y227-Y334 HydrophobicContact CE2-CE2 3.64Å; Y227-Y334 HydrophobicContact CE2-CG 4.32Å; Y227-Y334 AromaticContact CE2-CZ 3.44Å; Y227-Y334 VanDerWaalsContact CE2-CZ 3.44Å
228	H	76	Confident	77.3	Confident	99 Å²	99	66.6 Å²	66.6	46%	0.458	32%	0.319	S	S	.	.	H	α-helix	trans	-57.6	-36.1	-179.9	-167.3	-72.3	0	0	0	112.6	K225 V231 L232	K225-H228 PolarHBondContact O-N 2.98Å; H228-V231 PolarHBondContact O-N 2.75Å; H228-L232 VanDerWaalsContact O-CB 3.26Å; H228-L232 WeakPolarHBondContact O-CB 3.37Å; H228-L232 PolarHBondContact O-N 3.42Å
229	R	81.9	Confident	78.2	Confident	41 Å²	41	68.1 Å²	68.1	16%	0.155	33%	0.327	C	S	.	.	H	α-helix	trans	-57	-50.8	175.7	172.3	171.7	165.3	152.6	-6.1	113.1	Y211 C214 E215 K225 V226 Y227 L233	Y211-R229 PolarHBondContact OH-NH2 3.38Å; C214-R229 HydrophobicContact CB-CB 3.75Å; C214-R229 HydrophobicContact CB-CG 3.61Å; E215-R229 IonicContact OE2-CZ 3.29Å; E215-R229 IonicContact OE2-NH1 2.91Å; E215-R229 PolarHBondContact OE2-NH1 3.35Å; E215-R229 IonicContact OE2-NH2 2.68Å; K225-R229 PolarHBondContact O-N 2.82Å; V226-R229 WeakPolarHBondContact O-CB 3.35Å; Y227-R229 PolarHBondContact O-N 3.38Å; R229-L233 HydrophobicContact CG-CD1 4.08Å; R229-L233 WeakPolarHBondContact O-CB 3.26Å; R229-L233 WeakPolarHBondContact O-CD1 3.23Å; R229-L233 VanDerWaalsContact O-CG 3.31Å; R229-L233 WeakPolarHBondContact O-CG 3.39Å; R229-L233 PolarHBondContact O-N 3.39Å; R229-L233 VanDerWaalsContact O-N 3.13Å
230	F	79.4	Confident	79.2	Confident	57 Å²	57	61 Å²	61	25%	0.25	30%	0.302	C	S	.	.	H	α-helix	trans	-68.2	-40.6	-179.3	-68.7	-67.3	0	0	0	111.9	V226 Y227 L233 Y234 A331 L335	V226-F230 HydrophobicContact CG1-CD2 4.39Å; V226-F230 HydrophobicContact CG1-CE2 3.82Å; V226-F230 WeakPolarHBondContact O-CD2 3.24Å; Y227-F230 PolarHBondContact O-N 3.01Å; F230-L233 PolarHBondContact O-N 2.94Å; F230-Y234 WeakPolarHBondContact O-CB 3.35Å; F230-Y234 PolarHBondContact O-N 3.19Å; F230-A331 HydrophobicContact CD2-CB 4.03Å; F230-A331 HydrophobicContact CE2-CB 4.02Å; F230-L335 HydrophobicContact CD1-CD1 3.97Å; F230-L335 HydrophobicContact CE1-CD1 3.93Å; F230-L335 HydrophobicContact CE1-CD2 4.31Å; F230-L335 HydrophobicContact CZ-CD2 4.49Å
231	V	84.6	Confident	80.2	Confident	21 Å²	21	56.2 Å²	56.2	13%	0.127	28%	0.277	C	S	.	.	H	α-helix	trans	-64.1	-44.1	178.1	174.5	0	0	0	0	111.8	Y227 H228 Y234 Y235 Y334	Y227-V231 HydrophobicContact CD2-CG2 3.86Å; Y227-V231 HydrophobicContact CE2-CG2 3.34Å; Y227-V231 PolarHBondContact O-N 2.99Å; H228-V231 PolarHBondContact O-N 2.75Å; V231-Y234 PolarHBondContact O-N 2.86Å; V231-Y235 HydrophobicContact CG1-CD2 3.62Å; V231-Y235 HydrophobicContact CG1-CE2 3.57Å; V231-Y235 VanDerWaalsContact O-CD2 3.26Å; V231-Y235 WeakPolarHBondContact O-CD2 3.19Å; V231-Y235 PolarHBondContact O-N 2.66Å; V231-Y334 HydrophobicContact CG2-CD1 4.46Å
232	L	88.1	Confident	81.8	Confident	53 Å²	53	52.2 Å²	52.2	28%	0.277	26%	0.256	S	S	.	.	H	α-helix	trans	-67.3	-38.8	179.9	-171.1	63	0	0	0	112.2	V210 Y213 H228 T236	V210-L232 HydrophobicContact CG1-CB 4.28Å; V210-L232 HydrophobicContact CG1-CD2 3.8Å; V210-L232 HydrophobicContact CG1-CG 3.7Å; V210-L232 HydrophobicContact CG2-CD2 4.36Å; V210-L232 HydrophobicContact CG2-CG 4.37Å; Y213-L232 HydrophobicContact CD1-CD2 4.43Å; H228-L232 VanDerWaalsContact O-CB 3.26Å; H228-L232 WeakPolarHBondContact O-CB 3.37Å; H228-L232 PolarHBondContact O-N 3.42Å; L232-T236 WeakPolarHBondContact O-CB 3.5Å; L232-T236 PolarHBondContact O-N 2.8Å; L232-T236 PolarHBondContact O-OG1 3.08Å
233	L	87.1	Confident	83.3	Confident	20 Å²	20	50.7 Å²	50.7	11%	0.105	25%	0.247	C	C	.	.	H	α-helix	trans	-64.1	-47	172.9	-72.4	166.7	0	0	0	111.6	W207 V210 R229 F230 Y235 T236 E237	W207-L233 HydrophobicContact CD2-CD2 4.24Å; W207-L233 HydrophobicContact CG-CD2 4.28Å; W207-L233 HydrophobicContact CZ2-CD2 4.34Å; V210-L233 HydrophobicContact CB-CD2 4.43Å; V210-L233 HydrophobicContact CG1-CD2 3.67Å; V210-L233 HydrophobicContact CG1-CG 4.02Å; R229-L233 HydrophobicContact CG-CD1 4.08Å; R229-L233 WeakPolarHBondContact O-CB 3.26Å; R229-L233 WeakPolarHBondContact O-CD1 3.23Å; R229-L233 VanDerWaalsContact O-CG 3.31Å; R229-L233 WeakPolarHBondContact O-CG 3.39Å; R229-L233 PolarHBondContact O-N 3.39Å; R229-L233 VanDerWaalsContact O-N 3.13Å; F230-L233 PolarHBondContact O-N 2.94Å; L233-Y235 PolarHBondContact O-N 2.97Å; L233-T236 WeakPolarHBondContact O-CB 3.29Å; L233-T236 PolarHBondContact O-N 3.46Å; L233-T236 VanDerWaalsContact O-N 3.14Å; L233-E237 PolarHBondContact O-N 3.5Å
234	Y	88.5	Confident	85.1	Confident	15 Å²	15	48 Å²	48	6%	0.059	23%	0.234	C	C	.	.	H	α-helix	trans	-58	-47.2	176.7	170.6	-90.8	0	0	0	112.3	F230 V231 T236 E237 F238 H288 Y291 E338	F230-Y234 WeakPolarHBondContact O-CB 3.35Å; F230-Y234 PolarHBondContact O-N 3.19Å; V231-Y234 PolarHBondContact O-N 2.86Å; Y234-T236 VanDerWaalsContact C-N 3.3Å; Y234-T236 PolarHBondContact O-N 2.93Å; Y234-E237 PolarHBondContact O-N 3.22Å; Y234-F238 VanDerWaalsContact O-CB 3.25Å; Y234-F238 WeakPolarHBondContact O-CB 3.42Å; Y234-F238 PolarHBondContact O-N 3.38Å; Y234-H288 AromaticContact CE1-ND1 3.75Å; Y234-H288 AromaticContact CZ-ND1 3.92Å; Y234-H288 PolarHBondContact OH-ND1 3.48Å; Y234-Y291 HydrophobicContact CD1-CD1 4.08Å; Y234-Y291 AromaticContact CD1-CE1 3.42Å; Y234-Y291 HydrophobicContact CD1-CE1 3.42Å; Y234-Y291 VanDerWaalsContact CD1-CE1 3.42Å; Y234-Y291 AromaticContact CD1-CZ 3.82Å; Y234-Y291 HydrophobicContact CD2-CE1 4.37Å; Y234-Y291 HydrophobicContact CD2-CE2 4.34Å; Y234-Y291 AromaticContact CE1-CD1 3.37Å; Y234-Y291 HydrophobicContact CE1-CD1 3.37Å; Y234-Y291 AromaticContact CE1-CE1 3.21Å; Y234-Y291 HydrophobicContact CE1-CE1 3.21Å; Y234-Y291 HydrophobicContact CE1-CG 4.15Å; Y234-Y291 AromaticContact CE1-CZ 3.94Å; Y234-Y291 HydrophobicContact CE2-CD1 4.22Å; Y234-Y291 HydrophobicContact CE2-CD2 4.23Å; Y234-Y291 HydrophobicContact CE2-CE1 4.2Å; Y234-Y291 HydrophobicContact CE2-CE2 4.25Å; Y234-Y291 HydrophobicContact CE2-CG 4.22Å; Y234-Y291 HydrophobicContact CG-CE1 4.01Å; Y234-Y291 AromaticContact CG-CZ 3.91Å; Y234-Y291 AromaticContact CZ-CD1 3.45Å; Y234-Y291 VanDerWaalsContact CZ-CD1 3.45Å; Y234-Y291 AromaticContact CZ-CE1 3.64Å; Y234-Y291 AromaticContact CZ-CG 3.74Å; Y234-Y291 WeakPolarHBondContact OH-CD1 3.38Å; Y234-E338 HydrophobicContact CD2-CG 4.08Å; Y234-E338 HydrophobicContact CE2-CG 4.45Å
235	Y	91.1	Very high	86.6	Confident	88 Å²	88	44.2 Å²	44.2	35%	0.345	21%	0.213	S	C	.	.	H	α-helix	trans	-65.4	-34	177.1	-82.9	-68.7	0	0	0	112.2	V231 L233 V239 H288	V231-Y235 HydrophobicContact CG1-CD2 3.62Å; V231-Y235 HydrophobicContact CG1-CE2 3.57Å; V231-Y235 VanDerWaalsContact O-CD2 3.26Å; V231-Y235 WeakPolarHBondContact O-CD2 3.19Å; V231-Y235 PolarHBondContact O-N 2.66Å; L233-Y235 PolarHBondContact O-N 2.97Å; Y235-V239 WeakPolarHBondContact O-CB 3.34Å; Y235-V239 VanDerWaalsContact O-CG2 3.26Å; Y235-V239 WeakPolarHBondContact O-CG2 3.49Å; Y235-V239 PolarHBondContact O-N 2.87Å; Y235-H288 AromaticContact CE1-CE1 3.7Å
236	T	91.9	Very high	88	Confident	13 Å²	13	44.8 Å²	44.8	8%	0.08	22%	0.216	C	C	.	.	H	α-helix	trans	-62.1	-54.3	173.8	-57.6	0	0	0	0	110.7	T206 L232 L233 Y234 F238 V239 F240	T206-T236 HydrophobicContact CG2-CG2 4.02Å; L232-T236 WeakPolarHBondContact O-CB 3.5Å; L232-T236 PolarHBondContact O-N 2.8Å; L232-T236 PolarHBondContact O-OG1 3.08Å; L233-T236 WeakPolarHBondContact O-CB 3.29Å; L233-T236 PolarHBondContact O-N 3.46Å; L233-T236 VanDerWaalsContact O-N 3.14Å; Y234-T236 VanDerWaalsContact C-N 3.3Å; Y234-T236 PolarHBondContact O-N 2.93Å; T236-F238 VanDerWaalsContact C-N 3.34Å; T236-F238 PolarHBondContact O-N 3.48Å; T236-V239 PolarHBondContact O-N 3.36Å; T236-F240 HydrophobicContact CG2-CD2 3.81Å; T236-F240 HydrophobicContact CG2-CE2 3.92Å; T236-F240 WeakPolarHBondContact O-CD2 3.48Å; T236-F240 PolarHBondContact O-N 3.49Å; T236-F240 VanDerWaalsContact O-N 3.1Å
237	E	90.4	Very high	89.2	Confident	49 Å²	49	42.7 Å²	42.7	23%	0.229	21%	0.206	C	C	.	.	H	α-helix	trans	-62.6	-40.6	179.5	-64.2	-159	-155	0	0	111.9	R137 Q141 W207 L233 Y234 D241	R137-E237 IonicContact NH2-OE2 3.94Å; R137-E237 PolarHBondContact NH2-OE2 2.92Å; Q141-E237 PolarHBondContact NE2-OE1 3.45Å; Q141-E237 VanDerWaalsContact NE2-OE1 3.08Å; W207-E237 PolarHBondContact NE1-OE1 3.26Å; L233-E237 PolarHBondContact O-N 3.5Å; Y234-E237 PolarHBondContact O-N 3.22Å; E237-D241 VanDerWaalsContact O-CB 3.29Å; E237-D241 WeakPolarHBondContact O-CB 2.95Å; E237-D241 PolarHBondContact O-N 3.42Å
238	F	92.8	Very high	90.4	Very high	34 Å²	34	40.3 Å²	40.3	15%	0.149	20%	0.198	C	C	.	.	H	α-helix	trans	-61.6	-47.4	176.5	174.6	-99.9	0	0	0	112.7	Y234 T236 T242 R284 F285 H288	Y234-F238 VanDerWaalsContact O-CB 3.25Å; Y234-F238 WeakPolarHBondContact O-CB 3.42Å; Y234-F238 PolarHBondContact O-N 3.38Å; T236-F238 VanDerWaalsContact C-N 3.34Å; T236-F238 PolarHBondContact O-N 3.48Å; F238-T242 WeakPolarHBondContact O-CB 3.39Å; F238-T242 PolarHBondContact O-N 2.91Å; F238-T242 VanDerWaalsContact O-N 3.08Å; F238-T242 PolarHBondContact O-OG1 3.44Å; F238-R284 HydrophobicContact CD2-CG 4.04Å; F238-R284 HydrophobicContact CE2-CG 3.83Å; F238-F285 HydrophobicContact CZ-CD1 4.35Å; F238-F285 HydrophobicContact CZ-CE1 4.21Å; F238-H288 AromaticContact CD1-ND1 3.91Å; F238-H288 HydrophobicContact CD2-CB 4.11Å; F238-H288 AromaticContact CD2-ND1 3.79Å; F238-H288 AromaticContact CE1-ND1 3.84Å; F238-H288 HydrophobicContact CE2-CB 3.5Å; F238-H288 VanDerWaalsContact CE2-CB 3.5Å; F238-H288 AromaticContact CE2-CG 3.64Å; F238-H288 AromaticContact CE2-ND1 3.72Å; F238-H288 AromaticContact CG-ND1 3.89Å; F238-H288 HydrophobicContact CZ-CB 3.92Å; F238-H288 AromaticContact CZ-CG 3.64Å; F238-H288 AromaticContact CZ-ND1 3.75Å
239	V	94.8	Very high	91.2	Very high	68 Å²	68	36.8 Å²	36.8	41%	0.412	18%	0.184	S	C	.	.	H	α-helix	trans	-66.1	-52.8	-178.3	168.2	0	0	0	0	110.7	Y235 T236 T242 I243	Y235-V239 WeakPolarHBondContact O-CB 3.34Å; Y235-V239 VanDerWaalsContact O-CG2 3.26Å; Y235-V239 WeakPolarHBondContact O-CG2 3.49Å; Y235-V239 PolarHBondContact O-N 2.87Å; T236-V239 PolarHBondContact O-N 3.36Å; V239-T242 PolarHBondContact O-N 3.18Å; V239-I243 HydrophobicContact CG1-CD1 3.78Å; V239-I243 HydrophobicContact CG1-CG1 4.49Å; V239-I243 WeakPolarHBondContact O-CG1 3.47Å; V239-I243 PolarHBondContact O-N 3.44Å
240	F	95.4	Very high	91.8	Very high	34 Å²	34	41.6 Å²	41.6	15%	0.149	21%	0.206	C	C	.	.	H	α-helix	trans	-65.2	-44.9	-176.4	-80.3	-70.9	0	0	0	113.1	I199 V202 H203 T206 T236 T242 I243 A244	I199-F240 HydrophobicContact CG2-CD1 4.34Å; V202-F240 HydrophobicContact CB-CE1 4.33Å; V202-F240 HydrophobicContact CG1-CE1 3.73Å; V202-F240 HydrophobicContact CG1-CZ 3.88Å; H203-F240 HydrophobicContact CB-CB 3.66Å; H203-F240 HydrophobicContact CB-CD1 3.84Å; H203-F240 HydrophobicContact CB-CD2 4.01Å; H203-F240 HydrophobicContact CB-CE1 4.5Å; H203-F240 HydrophobicContact CB-CG 3.56Å; H203-F240 AromaticContact CD2-CD2 3.71Å; H203-F240 AromaticContact CD2-CG 3.92Å; H203-F240 AromaticContact CG-CD2 3.92Å; H203-F240 AromaticContact CG-CG 3.66Å; H203-F240 WeakPolarHBondContact ND1-CB 3.49Å; T206-F240 HydrophobicContact CG2-CE2 3.79Å; T206-F240 HydrophobicContact CG2-CZ 4.26Å; T236-F240 HydrophobicContact CG2-CD2 3.81Å; T236-F240 HydrophobicContact CG2-CE2 3.92Å; T236-F240 WeakPolarHBondContact O-CD2 3.48Å; T236-F240 PolarHBondContact O-N 3.49Å; T236-F240 VanDerWaalsContact O-N 3.1Å; F240-T242 PolarHBondContact O-N 3.08Å; F240-I243 PolarHBondContact O-N 2.89Å; F240-A244 WeakPolarHBondContact O-CB 3.24Å; F240-A244 PolarHBondContact O-N 2.99Å
241	D	93.7	Very high	92.5	Very high	30 Å²	30	39.4 Å²	39.4	16%	0.16	20%	0.196	C	C	.	.	H	α-helix	trans	-67.6	-25.2	177.3	-73.4	-3	0	0	0	111.7	R137 H203 E237 D245 R284	R137-D241 IonicContact CZ-OD1 3.81Å; R137-D241 IonicContact NH1-OD1 3.83Å; R137-D241 PolarHBondContact NH1-OD1 3.35Å; R137-D241 IonicContact NH2-OD1 3.11Å; R137-D241 PolarHBondContact NH2-OD1 3.35Å; R137-D241 IonicContact NH2-OD2 2.79Å; H203-D241 IonicContact CE1-OD1 2.94Å; H203-D241 PolarHBondContact CE1-OD1 3.48Å; H203-D241 IonicContact ND1-OD1 3.19Å; H203-D241 PolarHBondContact ND1-OD1 3.21Å; E237-D241 VanDerWaalsContact O-CB 3.29Å; E237-D241 WeakPolarHBondContact O-CB 2.95Å; E237-D241 PolarHBondContact O-N 3.42Å; D241-D245 PolarHBondContact O-N 2.74Å; D241-R284 IonicContact OD2-CZ 3.3Å; D241-R284 IonicContact OD2-NH2 2.74Å; D241-R284 PolarHBondContact OD2-NH2 3.41Å
242	T	94.3	Very high	92.7	Very high	16 Å²	16	38.4 Å²	38.4	10%	0.098	19%	0.19	C	C	.	.	H	α-helix	trans	-72.7	-42.7	173.8	-62.9	0	0	0	0	111.7	F238 V239 F240 A244 D245 F246 F285	F238-T242 WeakPolarHBondContact O-CB 3.39Å; F238-T242 PolarHBondContact O-N 2.91Å; F238-T242 VanDerWaalsContact O-N 3.08Å; F238-T242 PolarHBondContact O-OG1 3.44Å; V239-T242 PolarHBondContact O-N 3.18Å; F240-T242 PolarHBondContact O-N 3.08Å; T242-A244 VanDerWaalsContact C-N 3.33Å; T242-D245 PolarHBondContact O-N 3.48Å; T242-F246 HydrophobicContact CG2-CD2 3.74Å; T242-F246 HydrophobicContact CG2-CE2 3.57Å; T242-F246 VanDerWaalsContact O-CD2 3.23Å; T242-F246 WeakPolarHBondContact O-CD2 3.41Å; T242-F246 PolarHBondContact O-N 3.45Å; T242-F285 HydrophobicContact CG2-CZ 4.04Å
243	I	96.3	Very high	92.9	Very high	75 Å²	75	38.5 Å²	38.5	39%	0.385	19%	0.191	S	C	.	.	H	α-helix	trans	-65.4	-39.3	175.7	-57.4	164.2	0	0	0	110	F195 I199 V239 F240 F246 G247	F195-I243 HydrophobicContact CZ-CG2 4.3Å; I199-I243 HydrophobicContact CD1-CB 4.35Å; I199-I243 HydrophobicContact CD1-CG2 3.62Å; I199-I243 HydrophobicContact CG1-CG2 4.49Å; V239-I243 HydrophobicContact CG1-CD1 3.78Å; V239-I243 HydrophobicContact CG1-CG1 4.49Å; V239-I243 WeakPolarHBondContact O-CG1 3.47Å; V239-I243 PolarHBondContact O-N 3.44Å; F240-I243 PolarHBondContact O-N 2.89Å; I243-F246 PolarHBondContact O-N 2.97Å; I243-G247 PolarHBondContact O-N 3.19Å
244	A	95	Very high	93.1	Very high	11 Å²	11	39.4 Å²	39.4	9%	0.091	19%	0.194	C	C	.	.	H	α-helix	trans	-59.1	-49.3	173	0	0	0	0	0	112	Q196 I199 F240 T242 F246 G247 D248	Q196-A244 PolarHBondContact NE2-O 3.28Å; I199-A244 HydrophobicContact CG2-CB 3.94Å; F240-A244 WeakPolarHBondContact O-CB 3.24Å; F240-A244 PolarHBondContact O-N 2.99Å; T242-A244 VanDerWaalsContact C-N 3.33Å; A244-F246 VanDerWaalsContact C-N 3.35Å; A244-F246 PolarHBondContact O-N 3.19Å; A244-G247 PolarHBondContact O-N 3.47Å; A244-D248 PolarHBondContact O-N 2.81Å
245	D	93.8	Very high	93.2	Very high	3 Å²	3	38.8 Å²	38.8	2%	0.016	19%	0.192	C	C	.	.	H	α-helix	trans	-59.8	-42.8	177.5	-73.2	-1.6	0	0	0	112.2	D241 T242 G247 D248 V249 K280 V281 R284	D241-D245 PolarHBondContact O-N 2.74Å; T242-D245 PolarHBondContact O-N 3.48Å; D245-G247 VanDerWaalsContact C-N 3.35Å; D245-D248 PolarHBondContact O-N 3.13Å; D245-V249 WeakPolarHBondContact O-CG2 3.4Å; D245-V249 PolarHBondContact O-N 3.46Å; D245-K280 WeakPolarHBondContact OD1-CD 3.38Å; D245-K280 WeakPolarHBondContact OD1-CE 3.1Å; D245-K280 IonicContact OD1-NZ 3.38Å; D245-K280 PolarHBondContact OD1-NZ 3.18Å; D245-V281 HydrophobicContact CB-CG2 3.52Å; D245-R284 IonicContact OD1-NH1 2.71Å; D245-R284 PolarHBondContact OD1-NH1 3.46Å; D245-R284 IonicContact OD2-CZ 2.68Å; D245-R284 IonicContact OD2-NH1 3.4Å; D245-R284 PolarHBondContact OD2-NH1 2.98Å
246	F	94.5	Very high	93	Very high	83 Å²	83	36 Å²	36	36%	0.364	18%	0.183	S	C	.	.	H	α-helix	trans	-64.7	-38	175.7	-82	-61.9	0	0	0	112.2	T242 I243 A244 V249 F250 F285	T242-F246 HydrophobicContact CG2-CD2 3.74Å; T242-F246 HydrophobicContact CG2-CE2 3.57Å; T242-F246 VanDerWaalsContact O-CD2 3.23Å; T242-F246 WeakPolarHBondContact O-CD2 3.41Å; T242-F246 PolarHBondContact O-N 3.45Å; I243-F246 PolarHBondContact O-N 2.97Å; A244-F246 VanDerWaalsContact C-N 3.35Å; A244-F246 PolarHBondContact O-N 3.19Å; F246-V249 PolarHBondContact O-N 3.05Å; F246-F250 HydrophobicContact CB-CD2 4.45Å; F246-F250 HydrophobicContact CB-CE2 4.3Å; F246-F250 WeakPolarHBondContact O-CD2 3.29Å; F246-F250 PolarHBondContact O-N 3.12Å; F246-F285 HydrophobicContact CE2-CE2 4.14Å; F246-F285 HydrophobicContact CE2-CZ 4.03Å; F246-F285 AromaticContact CZ-CE2 3.95Å; F246-F285 HydrophobicContact CZ-CE2 3.95Å; F246-F285 HydrophobicContact CZ-CZ 4.13Å
247	G	95	Very high	92.9	Very high	11 Å²	11	42 Å²	42	11%	0.113	21%	0.208	C	C	.	.	H	α-helix	trans	-57	-47.1	172.3	0	0	0	0	0	112.8	I243 A244 D245 V249 F250 H251	I243-G247 PolarHBondContact O-N 3.19Å; A244-G247 PolarHBondContact O-N 3.47Å; D245-G247 VanDerWaalsContact C-N 3.35Å; G247-V249 VanDerWaalsContact C-N 3.34Å; G247-V249 PolarHBondContact O-N 3.47Å; G247-F250 PolarHBondContact O-N 2.96Å; G247-H251 WeakPolarHBondContact O-CB 3.3Å; G247-H251 PolarHBondContact O-N 2.69Å
248	D	93.4	Very high	92.7	Very high	25 Å²	25	45.1 Å²	45.1	13%	0.134	22%	0.218	C	C	.	.	H	α-helix	trans	-63.2	-40.5	176.4	-77.6	-23.1	0	0	0	111	Q196 A244 D245 N252 L277	Q196-D248 VanDerWaalsContact NE2-N 3.11Å; Q196-D248 PolarHBondContact NE2-OD1 2.88Å; A244-D248 PolarHBondContact O-N 2.81Å; D245-D248 PolarHBondContact O-N 3.13Å; D248-N252 WeakPolarHBondContact O-CB 3.23Å; D248-N252 PolarHBondContact O-N 3.39Å; D248-N252 PolarHBondContact O-ND2 3.22Å; D248-L277 HydrophobicContact CB-CD1 3.78Å; D248-L277 HydrophobicContact CB-CD2 3.64Å; D248-L277 HydrophobicContact CB-CG 4.37Å
249	V	93.6	Very high	92.1	Very high	26 Å²	26	44.7 Å²	44.7	16%	0.158	22%	0.217	C	C	.	.	H	α-helix	trans	-62.4	-49.3	175.5	168.6	0	0	0	0	111.6	D245 F246 G247 H251 N252 L253 L274 L277	D245-V249 WeakPolarHBondContact O-CG2 3.4Å; D245-V249 PolarHBondContact O-N 3.46Å; F246-V249 PolarHBondContact O-N 3.05Å; G247-V249 VanDerWaalsContact C-N 3.34Å; G247-V249 PolarHBondContact O-N 3.47Å; V249-H251 PolarHBondContact O-N 3.43Å; V249-N252 PolarHBondContact O-N 3.33Å; V249-L253 HydrophobicContact CG1-CD1 3.87Å; V249-L253 HydrophobicContact CG1-CG 4.44Å; V249-L253 WeakPolarHBondContact O-CB 3.41Å; V249-L253 VanDerWaalsContact O-CG 3.32Å; V249-L253 WeakPolarHBondContact O-CG 3.35Å; V249-L253 PolarHBondContact O-N 3.44Å; V249-L274 HydrophobicContact CG1-CD1 4.11Å; V249-L274 HydrophobicContact CG2-CD1 4.49Å; V249-L277 HydrophobicContact CG2-CB 3.8Å; V249-L277 HydrophobicContact CG2-CD1 4.25Å
250	F	94	Very high	91.5	Very high	141 Å²	141	49.6 Å²	49.6	62%	0.618	23%	0.233	S	C	*	.	H	α-helix	trans	-62.7	-41	178.5	-75	-60.1	0	0	0	112.3	F246 G247 L253 H254	F246-F250 HydrophobicContact CB-CD2 4.45Å; F246-F250 HydrophobicContact CB-CE2 4.3Å; F246-F250 WeakPolarHBondContact O-CD2 3.29Å; F246-F250 PolarHBondContact O-N 3.12Å; G247-F250 PolarHBondContact O-N 2.96Å; F250-L253 PolarHBondContact O-N 3.42Å; F250-H254 WeakPolarHBondContact O-CB 3.26Å; F250-H254 PolarHBondContact O-N 3.3Å
251	H	93.4	Very high	90.7	Very high	12 Å²	12	53.1 Å²	53.1	6%	0.056	25%	0.253	C	S	.	.	H	α-helix	trans	-62.7	-43.8	174.7	171.7	57	0	0	0	112.2	A192 E193 G247 V249 H254 M255	A192-H251 HydrophobicContact CB-CB 3.89Å; A192-H251 WeakPolarHBondContact CB-ND1 3.45Å; E193-H251 IonicContact OE1-NE2 3.98Å; G247-H251 WeakPolarHBondContact O-CB 3.3Å; G247-H251 PolarHBondContact O-N 2.69Å; V249-H251 PolarHBondContact O-N 3.43Å; H251-H254 PolarHBondContact O-N 3.06Å; H251-M255 WeakPolarHBondContact O-CG 3.21Å; H251-M255 PolarHBondContact O-N 3.27Å
252	N	90.3	Very high	90	Very high	0 Å²	0	57 Å²	57	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-69.1	-36.1	179	-81	-98.7	0	0	0	112.6	D248 V249 M255 L256 V270 H273 L274 L277	D248-N252 WeakPolarHBondContact O-CB 3.23Å; D248-N252 PolarHBondContact O-N 3.39Å; D248-N252 PolarHBondContact O-ND2 3.22Å; V249-N252 PolarHBondContact O-N 3.33Å; N252-M255 HydrophobicContact CB-CE 4.17Å; N252-M255 WeakPolarHBondContact OD1-CE 3.4Å; N252-L256 VanDerWaalsContact O-CB 3.32Å; N252-L256 WeakPolarHBondContact O-CB 3.37Å; N252-L256 PolarHBondContact O-N 2.89Å; N252-V270 HydrophobicContact CB-CG1 4.16Å; N252-V270 WeakPolarHBondContact O-CG1 3.31Å; N252-H273 VanDerWaalsContact CG-ND1 3.3Å; N252-H273 PolarHBondContact ND2-ND1 3.46Å; N252-H273 PolarHBondContact OD1-ND1 2.91Å; N252-L274 HydrophobicContact CB-CD1 4.47Å; N252-L277 HydrophobicContact CB-CD1 4.46Å
253	L	91.7	Very high	89.2	Confident	55 Å²	55	61.3 Å²	61.3	29%	0.288	29%	0.291	S	S	.	.	H	α-helix	trans	-63.4	-43.6	169.7	-70.9	170	0	0	0	111.5	V249 F250 L256 F257 L274	V249-L253 HydrophobicContact CG1-CD1 3.87Å; V249-L253 HydrophobicContact CG1-CG 4.44Å; V249-L253 WeakPolarHBondContact O-CB 3.41Å; V249-L253 VanDerWaalsContact O-CG 3.32Å; V249-L253 WeakPolarHBondContact O-CG 3.35Å; V249-L253 PolarHBondContact O-N 3.44Å; F250-L253 PolarHBondContact O-N 3.42Å; L253-L256 WeakPolarHBondContact O-CB 3.41Å; L253-L256 PolarHBondContact O-N 3.37Å; L253-F257 HydrophobicContact CB-CD2 4.48Å; L253-F257 HydrophobicContact CB-CE2 4.32Å; L253-F257 WeakPolarHBondContact O-CD2 3.46Å; L253-F257 PolarHBondContact O-N 3.06Å; L253-L274 HydrophobicContact CD2-CD1 4.37Å; L253-L274 HydrophobicContact CD2-CD2 3.84Å; L253-L274 HydrophobicContact CG-CD1 4.28Å
254	H	92.3	Very high	88.2	Confident	39 Å²	39	60.1 Å²	60.1	18%	0.181	29%	0.286	C	S	.	.	H	α-helix	trans	-61.4	-45	177.1	174.4	-115.6	0	0	0	112.5	N185 F189 F250 H251 L256 F257 W258	N185-H254 PolarHBondContact OD1-NE2 3.03Å; F189-H254 AromaticContact CD1-CE1 3.65Å; F189-H254 AromaticContact CD1-ND1 3.53Å; F189-H254 AromaticContact CE1-CE1 3.27Å; F189-H254 WeakPolarHBondContact CE1-CE1 3.46Å; F189-H254 AromaticContact CE1-ND1 3.22Å; F189-H254 WeakPolarHBondContact CE1-ND1 3.32Å; F189-H254 AromaticContact CZ-CE1 3.69Å; F250-H254 WeakPolarHBondContact O-CB 3.26Å; F250-H254 PolarHBondContact O-N 3.3Å; H251-H254 PolarHBondContact O-N 3.06Å; H254-L256 VanDerWaalsContact C-N 3.32Å; H254-L256 PolarHBondContact O-N 2.85Å; H254-F257 PolarHBondContact O-N 3.5Å; H254-W258 WeakPolarHBondContact O-CB 3.31Å; H254-W258 PolarHBondContact O-N 3.45Å
255	M	88.7	Confident	87.4	Confident	2 Å²	2	60.7 Å²	60.7	1%	0.01	29%	0.287	C	S	.	.	H	α-helix	trans	-58.2	-42.3	172.2	-68.9	-169.3	-61.2	0	0	112.5	Y99 F103 I107 F189 H251 N252 W258 N259 V270	Y99-M255 VanDerWaalsContact OH-CE 3.26Å; Y99-M255 WeakPolarHBondContact OH-CE 3.17Å; F103-M255 HydrophobicContact CD2-SD 3.51Å; F103-M255 VanDerWaalsContact CD2-SD 3.51Å; F103-M255 HydrophobicContact CE2-CG 4.17Å; F103-M255 HydrophobicContact CE2-SD 3.48Å; F103-M255 WeakPolarHBondContact CE2-SD 3.37Å; I107-M255 HydrophobicContact CD1-CB 4.5Å; I107-M255 HydrophobicContact CD1-CE 4.2Å; I107-M255 HydrophobicContact CD1-SD 3.51Å; I107-M255 VanDerWaalsContact CD1-SD 3.51Å; I107-M255 HydrophobicContact CG2-CB 4.25Å; I107-M255 HydrophobicContact CG2-CG 4.28Å; I107-M255 HydrophobicContact CG2-SD 4.33Å; F189-M255 HydrophobicContact CD1-CG 4.29Å; F189-M255 HydrophobicContact CE1-CB 4.47Å; F189-M255 HydrophobicContact CE1-CG 3.74Å; H251-M255 WeakPolarHBondContact O-CG 3.21Å; H251-M255 PolarHBondContact O-N 3.27Å; N252-M255 HydrophobicContact CB-CE 4.17Å; N252-M255 WeakPolarHBondContact OD1-CE 3.4Å; M255-W258 PolarHBondContact O-N 2.83Å; M255-N259 PolarHBondContact O-N 3.22Å; M255-N259 VanDerWaalsContact O-N 3.08Å; M255-V270 HydrophobicContact CE-CG1 4.3Å; M255-V270 HydrophobicContact CE-CG2 3.88Å
256	L	88.1	Confident	86.8	Confident	30 Å²	30	61 Å²	61	16%	0.157	29%	0.289	C	S	.	.	H	α-helix	trans	-66.5	-40.8	-179	-179.1	61.7	0	0	0	112.2	N252 L253 H254 L261 V270	N252-L256 VanDerWaalsContact O-CB 3.32Å; N252-L256 WeakPolarHBondContact O-CB 3.37Å; N252-L256 PolarHBondContact O-N 2.89Å; L253-L256 WeakPolarHBondContact O-CB 3.41Å; L253-L256 PolarHBondContact O-N 3.37Å; H254-L256 VanDerWaalsContact C-N 3.32Å; H254-L256 PolarHBondContact O-N 2.85Å; L256-L261 HydrophobicContact CD1-CD2 3.99Å; L256-L261 HydrophobicContact CD2-CD2 4.15Å; L256-L261 HydrophobicContact CG-CD2 3.7Å; L256-L261 PolarHBondContact O-N 2.83Å; L256-V270 HydrophobicContact CB-CG1 4.12Å
257	F	88.8	Confident	86.1	Confident	137 Å²	137	57.7 Å²	57.7	60%	0.601	28%	0.276	S	S	*	.	H	α-helix	trans	-70.3	-37.9	173.4	-72.4	-59.7	0	0	0	112.6	L253 H254 N259 K260	L253-F257 HydrophobicContact CB-CD2 4.48Å; L253-F257 HydrophobicContact CB-CE2 4.32Å; L253-F257 WeakPolarHBondContact O-CD2 3.46Å; L253-F257 PolarHBondContact O-N 3.06Å; H254-F257 PolarHBondContact O-N 3.5Å; F257-N259 PolarHBondContact O-N 2.78Å; F257-K260 PolarHBondContact O-N 3.5Å
258	W	86.8	Confident	85.6	Confident	116 Å²	116	60.2 Å²	60.2	44%	0.439	29%	0.286	S	S	.	.	H	α-helix	trans	-61.2	-42.9	176.5	176.2	-108.7	0	0	0	112.4	N185 F189 H254 M255 K260	N185-W258 HydrophobicContact CB-CD2 4.02Å; N185-W258 HydrophobicContact CB-CE3 3.55Å; N185-W258 HydrophobicContact CB-CH2 3.95Å; N185-W258 HydrophobicContact CB-CZ2 4.37Å; N185-W258 HydrophobicContact CB-CZ3 3.54Å; N185-W258 WeakPolarHBondContact ND2-CZ3 3.35Å; F189-W258 AromaticContact CE2-CD1 3.83Å; F189-W258 HydrophobicContact CE2-CD2 4.45Å; F189-W258 HydrophobicContact CE2-CG 4.15Å; F189-W258 AromaticContact CE2-NE1 3.87Å; F189-W258 HydrophobicContact CZ-CB 3.93Å; F189-W258 AromaticContact CZ-CD1 3.52Å; F189-W258 HydrophobicContact CZ-CD2 4.33Å; F189-W258 AromaticContact CZ-CG 3.65Å; F189-W258 HydrophobicContact CZ-CG 3.65Å; H254-W258 WeakPolarHBondContact O-CB 3.31Å; H254-W258 PolarHBondContact O-N 3.45Å; M255-W258 PolarHBondContact O-N 2.83Å; W258-K260 PolarHBondContact O-N 3.49Å
259	N	79.5	Confident	85.2	Confident	25 Å²	25	60.7 Å²	60.7	13%	0.134	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.6	19.8	172.9	-170.4	75.3	0	0	0	113.3	M255 F257 L261 Q262 N264	M255-N259 PolarHBondContact O-N 3.22Å; M255-N259 VanDerWaalsContact O-N 3.08Å; F257-N259 PolarHBondContact O-N 2.78Å; N259-L261 PolarHBondContact O-N 3.16Å; N259-Q262 PolarHBondContact ND2-O 2.81Å; N259-Q262 PolarHBondContact O-N 3.33Å; N259-N264 PolarHBondContact ND2-ND2 3.01Å; N259-N264 PolarHBondContact OD1-ND2 3.16Å; N259-N264 VanDerWaalsContact OD1-ND2 3.13Å
260	K	82.6	Confident	84.8	Confident	171 Å²	171	59.8 Å²	59.8	74%	0.743	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.2	30.3	177.1	-58.8	-177.8	-179.1	176.9	0	114.6	F257 W258 Q262	F257-K260 PolarHBondContact O-N 3.5Å; W258-K260 PolarHBondContact O-N 3.49Å; K260-Q262 HydrophobicContact CB-CG 4.34Å; K260-Q262 PolarHBondContact O-N 2.81Å; K260-Q262 VanDerWaalsContact O-N 3.07Å
261	L	79.7	Confident	84.5	Confident	108 Å²	108	55.2 Å²	55.2	57%	0.565	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.4	16	-172.8	-64.5	163.2	0	0	0	115.3	L256 N259	L256-L261 HydrophobicContact CD1-CD2 3.99Å; L256-L261 HydrophobicContact CD2-CD2 4.15Å; L256-L261 HydrophobicContact CG-CD2 3.7Å; L256-L261 PolarHBondContact O-N 2.83Å; N259-L261 PolarHBondContact O-N 3.16Å
262	Q	78.8	Confident	84.1	Confident	111 Å²	111	57.1 Å²	57.1	52%	0.519	28%	0.282	S	S	.	.			trans	-64.9	141.6	178.9	-68.6	-176.9	-40.4	0	0	111.3	N259 K260 N264 S267	N259-Q262 PolarHBondContact ND2-O 2.81Å; N259-Q262 PolarHBondContact O-N 3.33Å; K260-Q262 HydrophobicContact CB-CG 4.34Å; K260-Q262 PolarHBondContact O-N 2.81Å; K260-Q262 VanDerWaalsContact O-N 3.07Å; Q262-N264 VanDerWaalsContact C-N 3.3Å; Q262-N264 PolarHBondContact O-N 2.81Å; Q262-S267 WeakPolarHBondContact O-CB 3.48Å; Q262-S267 PolarHBondContact O-OG 2.79Å
263	I	76.7	Confident	84	Confident	107 Å²	107	59.3 Å²	59.3	55%	0.549	29%	0.292	S	S	.	.			trans	-81.1	78.8	-179.6	-52.4	179.7	0	0	0	109.3
264	N	76.6	Confident	83.9	Confident	49 Å²	49	58.6 Å²	58.6	26%	0.262	29%	0.288	S	S	.	.			trans	-101.3	158.1	173.6	-72.9	-28.8	0	0	0	109.4	N259 Q262 S266 S267 I268	N259-N264 PolarHBondContact ND2-ND2 3.01Å; N259-N264 PolarHBondContact OD1-ND2 3.16Å; N259-N264 VanDerWaalsContact OD1-ND2 3.13Å; Q262-N264 VanDerWaalsContact C-N 3.3Å; Q262-N264 PolarHBondContact O-N 2.81Å; N264-S266 WeakPolarHBondContact CB-OG 3.2Å; N264-S266 PolarHBondContact O-N 3Å; N264-S267 PolarHBondContact N-OG 2.95Å; N264-S267 PolarHBondContact O-N 2.96Å; N264-S267 PolarHBondContact O-OG 3.28Å; N264-I268 PolarHBondContact O-N 2.93Å; N264-I268 VanDerWaalsContact O-N 3.16Å
265	M	78.2	Confident	83.8	Confident	24 Å²	24	60.6 Å²	60.6	12%	0.118	30%	0.298	C	S	.	.	H	α-helix	trans	-56.1	-27.8	176.3	-57.5	-60.3	-77.5	0	0	112.5	I268 I269 R584	M265-I268 HydrophobicContact SD-CD1 4.39Å; M265-I269 WeakPolarHBondContact O-CD1 3.26Å; M265-I269 WeakPolarHBondContact O-CG1 3.4Å; M265-I269 PolarHBondContact O-N 3.24Å; M265-R584 HydrophobicContact CE-CB 3.55Å; M265-R584 HydrophobicContact CE-CG 4.4Å
266	S	79.6	Confident	83.8	Confident	8 Å²	8	65.8 Å²	65.8	6%	0.056	32%	0.322	C	S	.	.	H	α-helix	trans	-71	-42.6	173	44.6	0	0	0	0	113.9	G106 N264 I268 I269 V270	G106-S266 VanDerWaalsContact C-CB 3.44Å; G106-S266 WeakPolarHBondContact O-CB 3.46Å; G106-S266 PolarHBondContact O-OG 3.33Å; N264-S266 WeakPolarHBondContact CB-OG 3.2Å; N264-S266 PolarHBondContact O-N 3Å; S266-I268 VanDerWaalsContact C-N 3.3Å; S266-I268 PolarHBondContact O-N 2.62Å; S266-I269 PolarHBondContact O-N 2.94Å; S266-V270 WeakPolarHBondContact O-CG2 3.5Å; S266-V270 PolarHBondContact O-N 3.03Å
267	S	80.9	Confident	83.9	Confident	14 Å²	14	64.4 Å²	64.4	10%	0.098	31%	0.314	C	S	.	.	H	α-helix	trans	-70.8	-27.5	179.1	60.1	0	0	0	0	112.1	Q262 N264 V270 A271	Q262-S267 WeakPolarHBondContact O-CB 3.48Å; Q262-S267 PolarHBondContact O-OG 2.79Å; N264-S267 PolarHBondContact N-OG 2.95Å; N264-S267 PolarHBondContact O-N 2.96Å; N264-S267 PolarHBondContact O-OG 3.28Å; S267-V270 PolarHBondContact O-N 3.18Å; S267-A271 VanDerWaalsContact O-CB 3.26Å; S267-A271 WeakPolarHBondContact O-CB 3.15Å; S267-A271 PolarHBondContact O-N 2.81Å
268	I	83.9	Confident	84	Confident	64 Å²	64	65.7 Å²	65.7	33%	0.328	32%	0.316	S	S	.	.	H	α-helix	trans	-60.5	-44.8	165.5	-60.4	174.4	0	0	0	110.8	N264 M265 S266 A271 L272	N264-I268 PolarHBondContact O-N 2.93Å; N264-I268 VanDerWaalsContact O-N 3.16Å; M265-I268 HydrophobicContact SD-CD1 4.39Å; S266-I268 VanDerWaalsContact C-N 3.3Å; S266-I268 PolarHBondContact O-N 2.62Å; I268-A271 PolarHBondContact O-N 3.48Å; I268-L272 HydrophobicContact CG2-CD1 4.2Å; I268-L272 WeakPolarHBondContact O-CG 3.38Å; I268-L272 PolarHBondContact O-N 3.07Å
269	I	84.5	Confident	84.1	Confident	35 Å²	35	64.7 Å²	64.7	18%	0.179	31%	0.313	C	S	.	.	H	α-helix	trans	-70.4	-38.5	179.8	-63.2	162.7	0	0	0	111.5	V102 M265 S266 A271 L272 H273 L585	V102-I269 HydrophobicContact CG1-CB 4.39Å; V102-I269 HydrophobicContact CG1-CD1 3.75Å; V102-I269 HydrophobicContact CG1-CG2 4.06Å; V102-I269 HydrophobicContact CG2-CD1 4.4Å; M265-I269 WeakPolarHBondContact O-CD1 3.26Å; M265-I269 WeakPolarHBondContact O-CG1 3.4Å; M265-I269 PolarHBondContact O-N 3.24Å; S266-I269 PolarHBondContact O-N 2.94Å; I269-A271 VanDerWaalsContact C-N 3.34Å; I269-L272 PolarHBondContact O-N 2.97Å; I269-H273 WeakPolarHBondContact O-CB 3.33Å; I269-H273 PolarHBondContact O-N 3.39Å; I269-L585 HydrophobicContact CD1-CD1 3.86Å
270	V	86	Confident	84.5	Confident	7 Å²	7	67 Å²	67	4%	0.042	32%	0.322	C	S	.	.	H	α-helix	trans	-63.8	-39.5	172.7	175.1	0	0	0	0	110.9	I107 N252 M255 L256 S266 S267 H273 L274	I107-V270 HydrophobicContact CD1-CG2 3.48Å; I107-V270 VanDerWaalsContact CD1-CG2 3.48Å; I107-V270 HydrophobicContact CG1-CG2 4.47Å; N252-V270 HydrophobicContact CB-CG1 4.16Å; N252-V270 WeakPolarHBondContact O-CG1 3.31Å; M255-V270 HydrophobicContact CE-CG1 4.3Å; M255-V270 HydrophobicContact CE-CG2 3.88Å; L256-V270 HydrophobicContact CB-CG1 4.12Å; S266-V270 WeakPolarHBondContact O-CG2 3.5Å; S266-V270 PolarHBondContact O-N 3.03Å; S267-V270 PolarHBondContact O-N 3.18Å; V270-H273 PolarHBondContact O-N 3.29Å; V270-L274 VanDerWaalsContact O-CB 3.29Å; V270-L274 WeakPolarHBondContact O-CB 3.46Å; V270-L274 PolarHBondContact O-N 2.92Å
271	A	86.7	Confident	84.9	Confident	46 Å²	46	59.7 Å²	59.7	38%	0.38	29%	0.292	S	S	.	.	H	α-helix	trans	-65.5	-43.5	175.1	0	0	0	0	0	112.3	S267 I268 I269 H273 L274 Q275	S267-A271 VanDerWaalsContact O-CB 3.26Å; S267-A271 WeakPolarHBondContact O-CB 3.15Å; S267-A271 PolarHBondContact O-N 2.81Å; I268-A271 PolarHBondContact O-N 3.48Å; I269-A271 VanDerWaalsContact C-N 3.34Å; A271-H273 VanDerWaalsContact C-N 3.31Å; A271-H273 PolarHBondContact O-N 2.93Å; A271-L274 PolarHBondContact O-N 2.93Å; A271-Q275 WeakPolarHBondContact O-CB 3.18Å; A271-Q275 PolarHBondContact O-N 3.46Å
272	L	86.8	Confident	85.5	Confident	52 Å²	52	56.5 Å²	56.5	27%	0.272	28%	0.278	S	S	.	.	H	α-helix	trans	-59.6	-40.9	172.3	-77.5	165	0	0	0	112	I268 I269 H276 M457	I268-L272 HydrophobicContact CG2-CD1 4.2Å; I268-L272 WeakPolarHBondContact O-CG 3.38Å; I268-L272 PolarHBondContact O-N 3.07Å; I269-L272 PolarHBondContact O-N 2.97Å; L272-H276 PolarHBondContact O-N 2.87Å; L272-M457 HydrophobicContact CD2-CE 3.74Å
273	H	87.6	Confident	85.9	Confident	46 Å²	46	57 Å²	57	21%	0.213	28%	0.279	C	S	.	.	H	α-helix	trans	-70.1	-41.5	177.2	-170.9	-134.4	0	0	0	111.9	Y99 N252 I269 V270 A271 Q275 H276 L277	Y99-H273 AromaticContact CE2-CE1 3.75Å; Y99-H273 AromaticContact CE2-ND1 3.62Å; N252-H273 VanDerWaalsContact CG-ND1 3.3Å; N252-H273 PolarHBondContact ND2-ND1 3.46Å; N252-H273 PolarHBondContact OD1-ND1 2.91Å; I269-H273 WeakPolarHBondContact O-CB 3.33Å; I269-H273 PolarHBondContact O-N 3.39Å; V270-H273 PolarHBondContact O-N 3.29Å; A271-H273 VanDerWaalsContact C-N 3.31Å; A271-H273 PolarHBondContact O-N 2.93Å; H273-Q275 VanDerWaalsContact C-N 3.34Å; H273-Q275 PolarHBondContact O-N 3.2Å; H273-H276 WeakPolarHBondContact O-CB 3.38Å; H273-H276 PolarHBondContact O-N 3.3Å; H273-L277 WeakPolarHBondContact O-CB 3.39Å; H273-L277 VanDerWaalsContact O-CG 3.28Å; H273-L277 WeakPolarHBondContact O-CG 3.33Å; H273-L277 PolarHBondContact O-N 2.98Å
274	L	90	Very high	86.6	Confident	40 Å²	40	54.7 Å²	54.7	21%	0.209	26%	0.263	C	S	.	.	H	α-helix	trans	-62.7	-39	174.3	-173.4	64.8	0	0	0	111.9	V249 N252 L253 V270 A271 L277 Y278	V249-L274 HydrophobicContact CG1-CD1 4.11Å; V249-L274 HydrophobicContact CG2-CD1 4.49Å; N252-L274 HydrophobicContact CB-CD1 4.47Å; L253-L274 HydrophobicContact CD2-CD1 4.37Å; L253-L274 HydrophobicContact CD2-CD2 3.84Å; L253-L274 HydrophobicContact CG-CD1 4.28Å; V270-L274 VanDerWaalsContact O-CB 3.29Å; V270-L274 WeakPolarHBondContact O-CB 3.46Å; V270-L274 PolarHBondContact O-N 2.92Å; A271-L274 PolarHBondContact O-N 2.93Å; L274-L277 PolarHBondContact O-N 3.34Å; L274-Y278 WeakPolarHBondContact O-CB 3.32Å; L274-Y278 PolarHBondContact O-N 3.06Å
275	Q	89.5	Confident	87.3	Confident	80 Å²	80	56.5 Å²	56.5	37%	0.374	27%	0.269	S	S	.	.	H	α-helix	trans	-62.5	-43.4	172	-174.4	-171.6	15.5	0	0	111.7	A271 H273 Y278 Y279	A271-Q275 WeakPolarHBondContact O-CB 3.18Å; A271-Q275 PolarHBondContact O-N 3.46Å; H273-Q275 VanDerWaalsContact C-N 3.34Å; H273-Q275 PolarHBondContact O-N 3.2Å; Q275-Y278 PolarHBondContact O-N 2.9Å; Q275-Y279 PolarHBondContact O-N 2.88Å
276	H	89.2	Confident	87.8	Confident	111 Å²	111	58.9 Å²	58.9	51%	0.514	29%	0.285	S	S	.	.	H	α-helix	trans	-62.1	-46.5	174.9	-179.6	94	0	0	0	111.8	L272 H273 Y279 K280	L272-H276 PolarHBondContact O-N 2.87Å; H273-H276 WeakPolarHBondContact O-CB 3.38Å; H273-H276 PolarHBondContact O-N 3.3Å; H276-Y279 PolarHBondContact O-N 2.87Å; H276-K280 WeakPolarHBondContact O-CB 3.32Å; H276-K280 PolarHBondContact O-N 3.28Å
277	L	89.7	Confident	88.2	Confident	1 Å²	1	61.7 Å²	61.7	1%	0.005	30%	0.297	C	S	.	.	H	α-helix	trans	-62.5	-45.2	177.1	-70.4	167.9	0	0	0	111.6	D248 V249 N252 H273 L274 Y279 K280 V281	D248-L277 HydrophobicContact CB-CD1 3.78Å; D248-L277 HydrophobicContact CB-CD2 3.64Å; D248-L277 HydrophobicContact CB-CG 4.37Å; V249-L277 HydrophobicContact CG2-CB 3.8Å; V249-L277 HydrophobicContact CG2-CD1 4.25Å; N252-L277 HydrophobicContact CB-CD1 4.46Å; H273-L277 WeakPolarHBondContact O-CB 3.39Å; H273-L277 VanDerWaalsContact O-CG 3.28Å; H273-L277 WeakPolarHBondContact O-CG 3.33Å; H273-L277 PolarHBondContact O-N 2.98Å; L274-L277 PolarHBondContact O-N 3.34Å; L277-Y279 VanDerWaalsContact C-N 3.34Å; L277-Y279 PolarHBondContact O-N 3.35Å; L277-K280 HydrophobicContact CD2-CD 4.3Å; L277-K280 WeakPolarHBondContact O-CB 3.07Å; L277-K280 PolarHBondContact O-N 3.11Å; L277-V281 WeakPolarHBondContact O-CB 3.36Å; L277-V281 VanDerWaalsContact O-CG2 3.29Å; L277-V281 WeakPolarHBondContact O-CG2 3.48Å; L277-V281 PolarHBondContact O-N 3.46Å
278	Y	90.4	Very high	88.7	Confident	164 Å²	164	62.3 Å²	62.3	64%	0.643	30%	0.298	S	S	*	.	H	α-helix	trans	-56.9	-45.9	174.5	171.7	-96	0	0	0	112	L274 Q275 S282	L274-Y278 WeakPolarHBondContact O-CB 3.32Å; L274-Y278 PolarHBondContact O-N 3.06Å; Q275-Y278 PolarHBondContact O-N 2.9Å; Y278-S282 WeakPolarHBondContact O-CB 3.43Å; Y278-S282 PolarHBondContact O-N 2.86Å; Y278-S282 PolarHBondContact O-OG 2.85Å
279	Y	89	Confident	89	Confident	96 Å²	96	66.1 Å²	66.1	38%	0.376	31%	0.312	S	S	.	.	H	α-helix	trans	-62.9	-44.9	176	173.4	-92.2	0	0	0	111.9	Q275 H276 L277 K283 Y450	Q275-Y279 PolarHBondContact O-N 2.88Å; H276-Y279 PolarHBondContact O-N 2.87Å; L277-Y279 VanDerWaalsContact C-N 3.34Å; L277-Y279 PolarHBondContact O-N 3.35Å; Y279-K283 HydrophobicContact CE1-CD 3.86Å; Y279-K283 WeakPolarHBondContact O-CB 3.5Å; Y279-K283 PolarHBondContact O-N 3.37Å; Y279-Y450 HydrophobicContact CD2-CE1 4.46Å; Y279-Y450 AromaticContact CE2-CE1 3.81Å; Y279-Y450 HydrophobicContact CE2-CE1 3.81Å; Y279-Y450 AromaticContact CE2-CZ 3.81Å; Y279-Y450 WeakPolarHBondContact CE2-OH 3.18Å; Y279-Y450 PolarHBondContact OH-OH 3.04Å
280	K	88.3	Confident	89.1	Confident	73 Å²	73	69.6 Å²	69.6	32%	0.317	32%	0.323	S	S	.	.	H	α-helix	trans	-57.2	-50.6	177.4	-174.2	-166.6	-173.1	-159.5	0	111.2	D245 H276 L277 R284	D245-K280 WeakPolarHBondContact OD1-CD 3.38Å; D245-K280 WeakPolarHBondContact OD1-CE 3.1Å; D245-K280 IonicContact OD1-NZ 3.38Å; D245-K280 PolarHBondContact OD1-NZ 3.18Å; H276-K280 WeakPolarHBondContact O-CB 3.32Å; H276-K280 PolarHBondContact O-N 3.28Å; L277-K280 HydrophobicContact CD2-CD 4.3Å; L277-K280 WeakPolarHBondContact O-CB 3.07Å; L277-K280 PolarHBondContact O-N 3.11Å; K280-R284 WeakPolarHBondContact O-CB 3.48Å; K280-R284 PolarHBondContact O-N 3.18Å
281	V	91	Very high	89.1	Confident	18 Å²	18	69.5 Å²	69.5	11%	0.109	32%	0.322	C	S	.	.	H	α-helix	trans	-63	-52.2	178	170.1	0	0	0	0	111.4	D245 L277 K283 R284 F285	D245-V281 HydrophobicContact CB-CG2 3.52Å; L277-V281 WeakPolarHBondContact O-CB 3.36Å; L277-V281 VanDerWaalsContact O-CG2 3.29Å; L277-V281 WeakPolarHBondContact O-CG2 3.48Å; L277-V281 PolarHBondContact O-N 3.46Å; V281-K283 VanDerWaalsContact C-N 3.31Å; V281-K283 PolarHBondContact O-N 2.94Å; V281-R284 WeakPolarHBondContact O-CB 3.38Å; V281-R284 PolarHBondContact O-N 3.35Å; V281-R284 VanDerWaalsContact O-N 3.1Å; V281-F285 HydrophobicContact CG1-CD2 3.65Å; V281-F285 HydrophobicContact CG1-CE2 3.61Å; V281-F285 WeakPolarHBondContact O-CD2 3.4Å; V281-F285 PolarHBondContact O-N 3.44Å
282	S	91.2	Very high	89.1	Confident	40 Å²	40	73.1 Å²	73.1	28%	0.28	33%	0.329	S	S	.	.	H	α-helix	trans	-61.7	-40.1	-178.6	-65.7	0	0	0	0	111.6	Y278 F285 V286	Y278-S282 WeakPolarHBondContact O-CB 3.43Å; Y278-S282 PolarHBondContact O-N 2.86Å; Y278-S282 PolarHBondContact O-OG 2.85Å; S282-F285 PolarHBondContact O-N 2.92Å; S282-V286 WeakPolarHBondContact O-CB 3.33Å; S282-V286 VanDerWaalsContact O-CG2 3.3Å; S282-V286 WeakPolarHBondContact O-CG2 3.47Å; S282-V286 PolarHBondContact O-N 3.18Å
283	K	88.5	Confident	89.1	Confident	123 Å²	123	74.6 Å²	74.6	54%	0.535	34%	0.338	S	S	.	.	H	α-helix	trans	-63.2	-42.2	173.3	-178.5	175.8	-179.5	173.6	0	112.3	Y279 V281 V286 H287	Y279-K283 HydrophobicContact CE1-CD 3.86Å; Y279-K283 WeakPolarHBondContact O-CB 3.5Å; Y279-K283 PolarHBondContact O-N 3.37Å; V281-K283 VanDerWaalsContact C-N 3.31Å; V281-K283 PolarHBondContact O-N 2.94Å; K283-V286 PolarHBondContact O-N 3.44Å; K283-H287 VanDerWaalsContact O-CB 3.31Å; K283-H287 WeakPolarHBondContact O-CB 3.36Å; K283-H287 PolarHBondContact O-N 3.18Å
284	R	90.4	Very high	88.8	Confident	57 Å²	57	73.1 Å²	73.1	22%	0.215	33%	0.331	C	S	.	.	H	α-helix	trans	-63	-44.1	176.1	174	165.9	-83	145.6	-13.5	111.7	F238 D241 D245 K280 V281 H287 H288	F238-R284 HydrophobicContact CD2-CG 4.04Å; F238-R284 HydrophobicContact CE2-CG 3.83Å; D241-R284 IonicContact OD2-CZ 3.3Å; D241-R284 IonicContact OD2-NH2 2.74Å; D241-R284 PolarHBondContact OD2-NH2 3.41Å; D245-R284 IonicContact OD1-NH1 2.71Å; D245-R284 PolarHBondContact OD1-NH1 3.46Å; D245-R284 IonicContact OD2-CZ 2.68Å; D245-R284 IonicContact OD2-NH1 3.4Å; D245-R284 PolarHBondContact OD2-NH1 2.98Å; K280-R284 WeakPolarHBondContact O-CB 3.48Å; K280-R284 PolarHBondContact O-N 3.18Å; V281-R284 WeakPolarHBondContact O-CB 3.38Å; V281-R284 PolarHBondContact O-N 3.35Å; V281-R284 VanDerWaalsContact O-N 3.1Å; R284-H287 PolarHBondContact O-N 3.36Å; R284-H288 WeakPolarHBondContact O-CB 3.38Å; R284-H288 PolarHBondContact O-N 2.99Å
285	F	91.9	Very high	88.5	Confident	88 Å²	88	72 Å²	72	39%	0.386	33%	0.326	S	S	.	.	H	α-helix	trans	-66.7	-42.1	174.4	-80.9	-65.7	0	0	0	113.6	F238 T242 F246 V281 S282 H288 K289	F238-F285 HydrophobicContact CZ-CD1 4.35Å; F238-F285 HydrophobicContact CZ-CE1 4.21Å; T242-F285 HydrophobicContact CG2-CZ 4.04Å; F246-F285 HydrophobicContact CE2-CE2 4.14Å; F246-F285 HydrophobicContact CE2-CZ 4.03Å; F246-F285 AromaticContact CZ-CE2 3.95Å; F246-F285 HydrophobicContact CZ-CE2 3.95Å; F246-F285 HydrophobicContact CZ-CZ 4.13Å; V281-F285 HydrophobicContact CG1-CD2 3.65Å; V281-F285 HydrophobicContact CG1-CE2 3.61Å; V281-F285 WeakPolarHBondContact O-CD2 3.4Å; V281-F285 PolarHBondContact O-N 3.44Å; S282-F285 PolarHBondContact O-N 2.92Å; F285-H288 PolarHBondContact O-N 3Å; F285-K289 WeakPolarHBondContact O-CB 3.31Å; F285-K289 PolarHBondContact O-N 3.36Å
286	V	89.3	Confident	88.2	Confident	73 Å²	73	76.3 Å²	76.3	44%	0.442	34%	0.343	S	S	.	.	H	α-helix	trans	-63.5	-42.4	175.5	168.2	0	0	0	0	111.2	S282 K283 K289 R290	S282-V286 WeakPolarHBondContact O-CB 3.33Å; S282-V286 VanDerWaalsContact O-CG2 3.3Å; S282-V286 WeakPolarHBondContact O-CG2 3.47Å; S282-V286 PolarHBondContact O-N 3.18Å; K283-V286 PolarHBondContact O-N 3.44Å; V286-K289 PolarHBondContact O-N 2.91Å; V286-R290 WeakPolarHBondContact O-CG 3.41Å; V286-R290 PolarHBondContact O-N 3.21Å
287	H	88.3	Confident	87.8	Confident	67 Å²	67	75.4 Å²	75.4	31%	0.31	34%	0.338	S	S	.	.	H	α-helix	trans	-60.7	-48	173.4	174.5	79.5	0	0	0	111.3	K283 R284 K289 R290 Y291 E338	K283-H287 VanDerWaalsContact O-CB 3.31Å; K283-H287 WeakPolarHBondContact O-CB 3.36Å; K283-H287 PolarHBondContact O-N 3.18Å; R284-H287 PolarHBondContact O-N 3.36Å; H287-K289 PolarHBondContact O-N 3.32Å; H287-R290 WeakPolarHBondContact O-CB 3.08Å; H287-R290 PolarHBondContact O-N 3Å; H287-R290 VanDerWaalsContact O-N 3.17Å; H287-Y291 WeakPolarHBondContact O-CB 3.34Å; H287-Y291 PolarHBondContact O-N 2.93Å; H287-E338 PolarHBondContact CE1-O 3.37Å; H287-E338 PolarHBondContact NE2-O 3.01Å
288	H	91.1	Very high	87.3	Confident	27 Å²	27	75.5 Å²	75.5	13%	0.125	34%	0.338	C	S	.	.	H	α-helix	trans	-60.7	-42.1	178.2	-177.2	85.6	0	0	0	112.9	Y234 Y235 F238 R284 F285 R290 Y291 K292	Y234-H288 AromaticContact CE1-ND1 3.75Å; Y234-H288 AromaticContact CZ-ND1 3.92Å; Y234-H288 PolarHBondContact OH-ND1 3.48Å; Y235-H288 AromaticContact CE1-CE1 3.7Å; F238-H288 AromaticContact CD1-ND1 3.91Å; F238-H288 HydrophobicContact CD2-CB 4.11Å; F238-H288 AromaticContact CD2-ND1 3.79Å; F238-H288 AromaticContact CE1-ND1 3.84Å; F238-H288 HydrophobicContact CE2-CB 3.5Å; F238-H288 VanDerWaalsContact CE2-CB 3.5Å; F238-H288 AromaticContact CE2-CG 3.64Å; F238-H288 AromaticContact CE2-ND1 3.72Å; F238-H288 AromaticContact CG-ND1 3.89Å; F238-H288 HydrophobicContact CZ-CB 3.92Å; F238-H288 AromaticContact CZ-CG 3.64Å; F238-H288 AromaticContact CZ-ND1 3.75Å; R284-H288 WeakPolarHBondContact O-CB 3.38Å; R284-H288 PolarHBondContact O-N 2.99Å; F285-H288 PolarHBondContact O-N 3Å; H288-R290 VanDerWaalsContact C-N 3.35Å; H288-R290 PolarHBondContact O-N 3.49Å; H288-Y291 PolarHBondContact O-N 2.97Å; H288-K292 WeakPolarHBondContact O-CB 3.14Å; H288-K292 PolarHBondContact O-N 3.19Å
289	K	90.2	Very high	86.6	Confident	145 Å²	145	72.5 Å²	72.5	63%	0.63	33%	0.333	S	S	*	.	H	α-helix	trans	-61	-42.4	175.1	-172.7	175.2	-179	177.9	0	111.4	F285 V286 H287 N293	F285-K289 WeakPolarHBondContact O-CB 3.31Å; F285-K289 PolarHBondContact O-N 3.36Å; V286-K289 PolarHBondContact O-N 2.91Å; H287-K289 PolarHBondContact O-N 3.32Å; K289-N293 VanDerWaalsContact O-CB 3.3Å; K289-N293 WeakPolarHBondContact O-CB 3.27Å; K289-N293 PolarHBondContact O-N 3.06Å; K289-N293 PolarHBondContact O-OD1 3.01Å
290	R	86.1	Confident	86.1	Confident	107 Å²	107	73.4 Å²	73.4	40%	0.404	35%	0.349	S	S	.	.	H	α-helix	trans	-63.8	-49.8	174.1	-73.7	176.6	179.4	166.8	0.8	111.7	V286 H287 H288 K292 N293 V294	V286-R290 WeakPolarHBondContact O-CG 3.41Å; V286-R290 PolarHBondContact O-N 3.21Å; H287-R290 WeakPolarHBondContact O-CB 3.08Å; H287-R290 PolarHBondContact O-N 3Å; H287-R290 VanDerWaalsContact O-N 3.17Å; H288-R290 VanDerWaalsContact C-N 3.35Å; H288-R290 PolarHBondContact O-N 3.49Å; R290-K292 PolarHBondContact O-N 2.86Å; R290-N293 PolarHBondContact O-N 3.25Å; R290-V294 WeakPolarHBondContact O-CG2 3.44Å; R290-V294 PolarHBondContact O-N 3.15Å
291	Y	85.6	Confident	85.7	Confident	6 Å²	6	73 Å²	73	2%	0.024	35%	0.345	C	S	.	.	H	α-helix	trans	-52.3	-56.4	176.8	179.7	-98.3	0	0	0	110.8	Y234 H287 H288 N293 V294 L295 I337 E338	Y234-Y291 HydrophobicContact CD1-CD1 4.08Å; Y234-Y291 AromaticContact CD1-CE1 3.42Å; Y234-Y291 HydrophobicContact CD1-CE1 3.42Å; Y234-Y291 VanDerWaalsContact CD1-CE1 3.42Å; Y234-Y291 AromaticContact CD1-CZ 3.82Å; Y234-Y291 HydrophobicContact CD2-CE1 4.37Å; Y234-Y291 HydrophobicContact CD2-CE2 4.34Å; Y234-Y291 AromaticContact CE1-CD1 3.37Å; Y234-Y291 HydrophobicContact CE1-CD1 3.37Å; Y234-Y291 AromaticContact CE1-CE1 3.21Å; Y234-Y291 HydrophobicContact CE1-CE1 3.21Å; Y234-Y291 HydrophobicContact CE1-CG 4.15Å; Y234-Y291 AromaticContact CE1-CZ 3.94Å; Y234-Y291 HydrophobicContact CE2-CD1 4.22Å; Y234-Y291 HydrophobicContact CE2-CD2 4.23Å; Y234-Y291 HydrophobicContact CE2-CE1 4.2Å; Y234-Y291 HydrophobicContact CE2-CE2 4.25Å; Y234-Y291 HydrophobicContact CE2-CG 4.22Å; Y234-Y291 HydrophobicContact CG-CE1 4.01Å; Y234-Y291 AromaticContact CG-CZ 3.91Å; Y234-Y291 AromaticContact CZ-CD1 3.45Å; Y234-Y291 VanDerWaalsContact CZ-CD1 3.45Å; Y234-Y291 AromaticContact CZ-CE1 3.64Å; Y234-Y291 AromaticContact CZ-CG 3.74Å; Y234-Y291 WeakPolarHBondContact OH-CD1 3.38Å; H287-Y291 WeakPolarHBondContact O-CB 3.34Å; H287-Y291 PolarHBondContact O-N 2.93Å; H288-Y291 PolarHBondContact O-N 2.97Å; Y291-N293 VanDerWaalsContact C-N 3.33Å; Y291-N293 PolarHBondContact O-N 3.29Å; Y291-V294 PolarHBondContact O-N 3.49Å; Y291-V294 VanDerWaalsContact O-N 3.07Å; Y291-L295 HydrophobicContact CD1-CD1 3.94Å; Y291-L295 HydrophobicContact CD1-CD2 4.19Å; Y291-L295 HydrophobicContact CD1-CG 4.01Å; Y291-L295 HydrophobicContact CD2-CD2 4.08Å; Y291-L295 HydrophobicContact CE1-CD1 3.39Å; Y291-L295 HydrophobicContact CE1-CD2 4.04Å; Y291-L295 HydrophobicContact CE1-CG 3.91Å; Y291-L295 HydrophobicContact CE2-CD2 3.89Å; Y291-L295 HydrophobicContact CG-CD2 4.22Å; Y291-L295 HydrophobicContact CG-CG 4.46Å; Y291-L295 WeakPolarHBondContact O-CD2 3.44Å; Y291-L295 VanDerWaalsContact O-CG 3.23Å; Y291-L295 WeakPolarHBondContact O-CG 3.41Å; Y291-L295 PolarHBondContact O-N 3.15Å; Y291-I337 HydrophobicContact CD2-CG2 4.06Å; Y291-E338 HydrophobicContact CE2-CB 4.45Å
292	K	87.8	Confident	85.2	Confident	121 Å²	121	75 Å²	75	53%	0.526	36%	0.355	S	S	.	.	H	α-helix	trans	-58	-40	178.2	-173.6	171.1	-178.5	172	0	113.3	H288 R290 L295 K296	H288-K292 WeakPolarHBondContact O-CB 3.14Å; H288-K292 PolarHBondContact O-N 3.19Å; R290-K292 PolarHBondContact O-N 2.86Å; K292-L295 PolarHBondContact O-N 3.37Å; K292-K296 PolarHBondContact O-N 3.45Å; K292-K296 VanDerWaalsContact O-N 3.16Å
293	N	85.6	Confident	84.9	Confident	84 Å²	84	75 Å²	75	45%	0.449	35%	0.353	S	S	.	.	H	α-helix	trans	-65.7	-36.7	176.1	-77.2	-3.4	0	0	0	112.8	K289 R290 Y291 K297	K289-N293 VanDerWaalsContact O-CB 3.3Å; K289-N293 WeakPolarHBondContact O-CB 3.27Å; K289-N293 PolarHBondContact O-N 3.06Å; K289-N293 PolarHBondContact O-OD1 3.01Å; R290-N293 PolarHBondContact O-N 3.25Å; Y291-N293 VanDerWaalsContact C-N 3.33Å; Y291-N293 PolarHBondContact O-N 3.29Å; N293-K297 WeakPolarHBondContact O-CG 3Å
294	V	82.3	Confident	84.5	Confident	14 Å²	14	77.9 Å²	77.9	9%	0.085	36%	0.362	C	S	.	.	H	α-helix	trans	-71.8	-44	174.9	177.2	0	0	0	0	110.1	R290 Y291 K296 K297 L298 I337 F350	R290-V294 WeakPolarHBondContact O-CG2 3.44Å; R290-V294 PolarHBondContact O-N 3.15Å; Y291-V294 PolarHBondContact O-N 3.49Å; Y291-V294 VanDerWaalsContact O-N 3.07Å; V294-K296 VanDerWaalsContact C-N 3.32Å; V294-K296 PolarHBondContact O-N 3.47Å; V294-K297 WeakPolarHBondContact O-CA 3.36Å; V294-K297 WeakPolarHBondContact O-CB 3.47Å; V294-K297 PolarHBondContact O-N 3.02Å; V294-L298 HydrophobicContact CG1-CD1 3.69Å; V294-L298 HydrophobicContact CG1-CG 4.09Å; V294-L298 WeakPolarHBondContact O-CG 3.25Å; V294-L298 PolarHBondContact O-N 3.02Å; V294-I337 HydrophobicContact CB-CG2 4.24Å; V294-I337 HydrophobicContact CG1-CD1 3.73Å; V294-I337 HydrophobicContact CG1-CG1 4.37Å; V294-I337 HydrophobicContact CG1-CG2 4.01Å; V294-F350 HydrophobicContact CG1-CD1 4.5Å; V294-F350 HydrophobicContact CG1-CD2 4.34Å; V294-F350 HydrophobicContact CG1-CG 4.25Å; V294-F350 HydrophobicContact CG2-CB 3.8Å; V294-F350 HydrophobicContact CG2-CD2 4.18Å; V294-F350 HydrophobicContact CG2-CG 4.12Å
295	L	82.9	Confident	84	Confident	18 Å²	18	76.1 Å²	76.1	9%	0.094	36%	0.358	C	S	.	.	H	α-helix	trans	-54.7	-48.3	178.9	-55.7	-152.4	0	0	0	111.5	Y291 K292 K297 L298 D299 Y334	Y291-L295 HydrophobicContact CD1-CD1 3.94Å; Y291-L295 HydrophobicContact CD1-CD2 4.19Å; Y291-L295 HydrophobicContact CD1-CG 4.01Å; Y291-L295 HydrophobicContact CD2-CD2 4.08Å; Y291-L295 HydrophobicContact CE1-CD1 3.39Å; Y291-L295 HydrophobicContact CE1-CD2 4.04Å; Y291-L295 HydrophobicContact CE1-CG 3.91Å; Y291-L295 HydrophobicContact CE2-CD2 3.89Å; Y291-L295 HydrophobicContact CG-CD2 4.22Å; Y291-L295 HydrophobicContact CG-CG 4.46Å; Y291-L295 WeakPolarHBondContact O-CD2 3.44Å; Y291-L295 VanDerWaalsContact O-CG 3.23Å; Y291-L295 WeakPolarHBondContact O-CG 3.41Å; Y291-L295 PolarHBondContact O-N 3.15Å; K292-L295 PolarHBondContact O-N 3.37Å; L295-K297 PolarHBondContact O-N 2.9Å; L295-K297 VanDerWaalsContact O-N 3.09Å; L295-L298 PolarHBondContact O-N 3.11Å; L295-D299 PolarHBondContact O-N 3.41Å; L295-Y334 HydrophobicContact CB-CE1 4.14Å; L295-Y334 HydrophobicContact CD1-CD1 4.05Å; L295-Y334 HydrophobicContact CD1-CE1 3.64Å; L295-Y334 HydrophobicContact CD2-CD1 3.49Å; L295-Y334 VanDerWaalsContact CD2-CD1 3.49Å; L295-Y334 HydrophobicContact CD2-CE1 3.34Å; L295-Y334 HydrophobicContact CG-CD1 4.3Å; L295-Y334 HydrophobicContact CG-CE1 3.82Å
296	K	84	Confident	83.3	Confident	170 Å²	170	81 Å²	81	74%	0.739	38%	0.379	S	S	*	.	H	α-helix	trans	-59.4	-22.3	178.5	-168	179.9	178.1	-175.2	0	113.6	K292 V294	K292-K296 PolarHBondContact O-N 3.45Å; K292-K296 VanDerWaalsContact O-N 3.16Å; V294-K296 VanDerWaalsContact C-N 3.32Å; V294-K296 PolarHBondContact O-N 3.47Å
297	K	79.3	Confident	83.1	Confident	91 Å²	91	83.8 Å²	83.8	40%	0.396	39%	0.388	S	S	.	.	H	α-helix	trans	-95	-11.6	178.1	-69.8	174.5	177.7	173.7	0	114.1	N293 V294 L295 T300 R301 N354	N293-K297 WeakPolarHBondContact O-CG 3Å; V294-K297 WeakPolarHBondContact O-CA 3.36Å; V294-K297 WeakPolarHBondContact O-CB 3.47Å; V294-K297 PolarHBondContact O-N 3.02Å; L295-K297 PolarHBondContact O-N 2.9Å; L295-K297 VanDerWaalsContact O-N 3.09Å; K297-T300 PolarHBondContact O-OG1 3.33Å; K297-R301 WeakPolarHBondContact O-CD 3.4Å; K297-R301 WeakPolarHBondContact O-CG 3.49Å; K297-N354 PolarHBondContact NZ-OD1 2.97Å
298	L	79.2	Confident	83.1	Confident	4 Å²	4	84.8 Å²	84.8	2%	0.021	40%	0.395	C	S	.	.	H	α-helix	trans	-99.3	-34.2	179.4	-66.9	179.8	0	0	0	111.8	V294 L295 T300 R301 C320 L333 I337	V294-L298 HydrophobicContact CG1-CD1 3.69Å; V294-L298 HydrophobicContact CG1-CG 4.09Å; V294-L298 WeakPolarHBondContact O-CG 3.25Å; V294-L298 PolarHBondContact O-N 3.02Å; L295-L298 PolarHBondContact O-N 3.11Å; L298-T300 PolarHBondContact O-N 3.4Å; L298-R301 CarbonylContact O-C 3.48Å; L298-R301 PolarHBondContact O-N 3.17Å; L298-C320 VanDerWaalsContact CB-SG 3.55Å; L298-C320 VanDerWaalsContact CD2-SG 3.56Å; L298-C320 PolarHBondContact O-SG 3.11Å; L298-L333 HydrophobicContact CD1-CD2 3.77Å; L298-L333 HydrophobicContact CD1-CG 4.07Å; L298-L333 HydrophobicContact CD2-CD2 3.98Å; L298-L333 HydrophobicContact CG-CD2 4.46Å; L298-I337 HydrophobicContact CD1-CD1 3.31Å
299	D	77.1	Confident	83	Confident	100 Å²	100	83.5 Å²	83.5	54%	0.535	39%	0.389	S	S	.	.	G	3₁₀ helix	trans	-58.8	-33.6	173.5	-156.2	43.1	0	0	0	111.9	L295 R301	L295-D299 PolarHBondContact O-N 3.41Å; D299-R301 VanDerWaalsContact C-N 3.3Å; D299-R301 PolarHBondContact O-N 3.05Å
300	T	77.3	Confident	83	Confident	115 Å²	115	79.7 Å²	79.7	71%	0.706	38%	0.38	S	S	*	.	G	3₁₀ helix	trans	-82.3	2.1	173.6	57.2	0	0	0	0	114.7	K297 L298	K297-T300 PolarHBondContact O-OG1 3.33Å; L298-T300 PolarHBondContact O-N 3.4Å
301	R	80	Confident	83	Confident	64 Å²	64	75.5 Å²	75.5	24%	0.242	37%	0.365	C	S	.	.	G	3₁₀ helix	trans	-129.6	33.5	-176.9	-61.6	-175.6	-177	-118.8	4.6	112.6	K297 L298 D299 C320 Q321	K297-R301 WeakPolarHBondContact O-CD 3.4Å; K297-R301 WeakPolarHBondContact O-CG 3.49Å; L298-R301 CarbonylContact O-C 3.48Å; L298-R301 PolarHBondContact O-N 3.17Å; D299-R301 VanDerWaalsContact C-N 3.3Å; D299-R301 PolarHBondContact O-N 3.05Å; R301-C320 WeakPolarHBondContact O-CA 3.36Å; R301-C320 PolarHBondContact O-SG 2.96Å; R301-Q321 VanDerWaalsContact CB-O 3.28Å; R301-Q321 WeakPolarHBondContact CB-O 3.41Å; R301-Q321 VanDerWaalsContact CD-O 3.26Å; R301-Q321 WeakPolarHBondContact CD-O 3.48Å; R301-Q321 PolarHBondContact O-N 3.04Å
302	I	81.5	Confident	83	Confident	61 Å²	61	75.4 Å²	75.4	31%	0.313	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	127.6	173	-61.9	170.3	0	0	0	108.9	K318 S319	I302-K318 HydrophobicContact CG2-CG 3.98Å; I302-S319 CarbonylContact C-O 3.59Å; I302-S319 WeakPolarHBondContact CA-O 3.43Å
303	V	84	Confident	83	Confident	39 Å²	39	79.7 Å²	79.7	24%	0.236	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	152.3	178.7	-62.9	0	0	0	0	110	S319 Q321 I327	V303-S319 PolarHBondContact N-O 3.05Å; V303-S319 CarbonylContact O-C 3.49Å; V303-S319 WeakPolarHBondContact O-CA 3.36Å; V303-S319 WeakPolarHBondContact O-CB 3.33Å; V303-S319 PolarHBondContact O-N 3.46Å; V303-S319 PolarHBondContact O-OG 2.94Å; V303-Q321 HydrophobicContact CG1-CB 4.09Å; V303-Q321 HydrophobicContact CG2-CB 3.98Å; V303-I327 HydrophobicContact CG2-CD1 4.29Å; V303-I327 HydrophobicContact CG2-CG1 4.39Å; V303-I327 HydrophobicContact CG2-CG2 3.8Å
304	Y	80.8	Confident	83	Confident	184 Å²	184	79 Å²	79	72%	0.722	37%	0.372	S	S	*	.			trans	-103.1	102.1	174.7	-65.1	-86.4	0	0	0	109.3	R317	Y304-R317 VanDerWaalsContact CD1-O 3.27Å; Y304-R317 WeakPolarHBondContact CD1-O 3.44Å
305	S	79.3	Confident	83	Confident	20 Å²	20	86 Å²	86	14%	0.14	40%	0.401	C	S	.	.			trans	-111.3	144.6	174.6	-178.6	0	0	0	0	110.5	E307 M316 S319	S305-E307 WeakPolarHBondContact OG-CB 3.44Å; S305-E307 WeakPolarHBondContact OG-CG 3.34Å; S305-E307 PolarHBondContact OG-N 2.68Å; S305-M316 CarbonylContact O-C 3.55Å; S305-M316 WeakPolarHBondContact O-CB 3.43Å; S305-S319 PolarHBondContact N-OG 3.25Å
306	K	78.3	Confident	83	Confident	191 Å²	191	85.6 Å²	85.6	83%	0.83	40%	0.399	S	S	*	.			trans	-92.9	-3.9	174.1	-63.7	-179.9	-178.7	174	0	112.8
307	E	85.3	Confident	82.5	Confident	132 Å²	132	83.7 Å²	83.7	62%	0.617	39%	0.387	S	S	*	.	S	Bend	trans	-67	160.3	-179.3	-66.1	-53.4	140.7	0	0	112.8	S305 M316	S305-E307 WeakPolarHBondContact OG-CB 3.44Å; S305-E307 WeakPolarHBondContact OG-CG 3.34Å; S305-E307 PolarHBondContact OG-N 2.68Å; E307-M316 HydrophobicContact CB-CE 3.7Å; E307-M316 WeakPolarHBondContact O-CB 3.27Å; E307-M316 VanDerWaalsContact O-CE 3.31Å; E307-M316 WeakPolarHBondContact O-CE 3.35Å; E307-M316 WeakPolarHBondContact O-CG 3.12Å; E307-M316 PolarHBondContact O-N 2.95Å
308	N	87.5	Confident	82.4	Confident	88 Å²	88	81.9 Å²	81.9	47%	0.471	38%	0.38	S	S	.	.	B	Isolated β-bridge	trans	-75.7	130.7	171.9	-64.1	-33.9	0	0	0	110.3	P310 E314 K315	N308-P310 WeakPolarHBondContact O-CD 3.23Å; N308-E314 CarbonylContact C-O 3.48Å; N308-E314 WeakPolarHBondContact CA-O 3.37Å; N308-K315 WeakPolarHBondContact OD1-CG 3.4Å; N308-K315 PolarHBondContact OD1-N 2.91Å
309	C	89	Confident	82.6	Confident	0 Å²	0	81.7 Å²	81.7	0%	0	38%	0.379	C	S	.	.	P	Polyproline II helix	trans	-67.5	125.3	179.4	172.7	0	0	0	0	111.1	I311 C312 W313 E314 M316 H329	C309-I311 PolarHBondContact O-N 2.73Å; C309-C312 PolarHBondContact O-N 3.45Å; C309-C312 VanDerWaalsContact O-N 3.16Å; C309-W313 WeakPolarHBondContact O-CA 3.45Å; C309-W313 PolarHBondContact O-N 2.88Å; C309-E314 PolarHBondContact N-O 3.32Å; C309-M316 HydrophobicContact CB-CG 3.69Å; C309-M316 HydrophobicContact CB-SD 3.82Å; C309-H329 WeakPolarHBondContact CB-ND1 3.03Å; C309-H329 PolarHBondContact SG-N 2.58Å; C309-H329 VanDerWaalsContact SG-N 3.39Å
310	P	89.9	Confident	83	Confident	65 Å²	65	77.1 Å²	77.1	42%	0.422	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-13.8	-176.5	-23.7	32.7	0	0	0	115.5	N308 I327 F328 V345	N308-P310 WeakPolarHBondContact O-CD 3.23Å; P310-I327 WeakPolarHBondContact CD-O 3.38Å; P310-F328 HydrophobicContact CB-CD1 4.42Å; P310-F328 HydrophobicContact CB-CE1 3.99Å; P310-F328 HydrophobicContact CG-CD1 4.29Å; P310-F328 HydrophobicContact CG-CE1 4.01Å; P310-V345 HydrophobicContact CB-CG2 3.97Å; P310-V345 HydrophobicContact CG-CG2 4.3Å
311	I	86	Confident	83.5	Confident	19 Å²	19	75.1 Å²	75.1	10%	0.097	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-49.6	175.6	-65.4	166.7	0	0	0	110.1	C309 F328 C332 P344 L735	C309-I311 PolarHBondContact O-N 2.73Å; I311-F328 HydrophobicContact CD1-CB 4.19Å; I311-F328 HydrophobicContact CD1-CD1 3.51Å; I311-F328 HydrophobicContact CD1-CE1 4.15Å; I311-F328 HydrophobicContact CD1-CG 4Å; I311-F328 HydrophobicContact CG1-CD1 3.62Å; I311-F328 HydrophobicContact CG1-CE1 4Å; I311-C332 HydrophobicContact CB-CB 4.08Å; I311-C332 HydrophobicContact CD1-CB 3.74Å; I311-C332 HydrophobicContact CG2-CB 3.99Å; I311-P344 HydrophobicContact CD1-CG 4Å; I311-P344 HydrophobicContact CG1-CB 4.36Å; I311-P344 HydrophobicContact CG1-CG 4.18Å; I311-L735 HydrophobicContact CG2-CD1 3.53Å; I311-L735 WeakPolarHBondContact O-CD1 3.48Å
312	C	85.8	Confident	83.8	Confident	4 Å²	4	72.1 Å²	72.1	3%	0.027	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.2	-7.4	-167	66.5	0	0	0	0	116	C309 E314 H329 C332 Y732	C309-C312 PolarHBondContact O-N 3.45Å; C309-C312 VanDerWaalsContact O-N 3.16Å; C312-E314 PolarHBondContact O-N 2.8Å; C312-H329 PolarHBondContact SG-CE1 2.87Å; C312-H329 PolarHBondContact SG-ND1 2.92Å; C312-C332 VanDerWaalsContact SG-SG 3.67Å; C312-Y732 HydrophobicContact CB-CD1 3.7Å; C312-Y732 HydrophobicContact CB-CD2 3.92Å; C312-Y732 HydrophobicContact CB-CE1 3.3Å; C312-Y732 HydrophobicContact CB-CE2 3.54Å; C312-Y732 HydrophobicContact CB-CG 4.01Å; C312-Y732 PolarHBondContact SG-OH 3.09Å; C312-Y732 VanDerWaalsContact SG-OH 3.33Å
313	W	87.2	Confident	83.9	Confident	210 Å²	210	70.7 Å²	70.7	80%	0.795	32%	0.32	S	S	*	.			trans	67.6	6.2	175.4	-53.7	65.2	0	0	0	115	C309	C309-W313 WeakPolarHBondContact O-CA 3.45Å; C309-W313 PolarHBondContact O-N 2.88Å
314	E	85.6	Confident	84.1	Confident	71 Å²	71	70 Å²	70	33%	0.332	32%	0.317	S	S	.	.	S	Bend	trans	-87.6	153.9	169.5	-68.5	-178.1	156.3	0	0	112	N308 C309 C312 H329 S728 Y732	N308-E314 CarbonylContact C-O 3.48Å; N308-E314 WeakPolarHBondContact CA-O 3.37Å; C309-E314 PolarHBondContact N-O 3.32Å; C312-E314 PolarHBondContact O-N 2.8Å; E314-H329 PolarHBondContact O-CE1 2.82Å; E314-H329 VanDerWaalsContact O-CE1 3.29Å; E314-S728 VanDerWaalsContact CD-OG 3.24Å; E314-S728 WeakPolarHBondContact CG-OG 3.26Å; E314-S728 WeakPolarHBondContact OE1-CB 3.42Å; E314-S728 PolarHBondContact OE1-OG 3.19Å; E314-Y732 HydrophobicContact CG-CE2 4.27Å; E314-Y732 VanDerWaalsContact OE2-CE2 3.29Å; E314-Y732 WeakPolarHBondContact OE2-CE2 3.25Å; E314-Y732 VanDerWaalsContact OE2-CZ 3.32Å; E314-Y732 PolarHBondContact OE2-OH 2.93Å
315	K	84.1	Confident	84.4	Confident	159 Å²	159	63.1 Å²	63.1	69%	0.691	30%	0.302	S	S	*	.	B	Isolated β-bridge	trans	-61.3	135.6	176.2	-70.8	-176.5	178.1	-177	0	111.6	N308 H329	N308-K315 WeakPolarHBondContact OD1-CG 3.4Å; N308-K315 PolarHBondContact OD1-N 2.91Å; K315-H329 PolarHBondContact O-CE1 3.29Å; K315-H329 PolarHBondContact O-NE2 3.27Å
316	M	81.3	Confident	84.9	Confident	11 Å²	11	65 Å²	65	5%	0.054	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-76.2	155.4	174.4	-69.3	-177.3	-73.4	0	0	111.7	S305 E307 C309 I327 F328 H329	S305-M316 CarbonylContact O-C 3.55Å; S305-M316 WeakPolarHBondContact O-CB 3.43Å; E307-M316 HydrophobicContact CB-CE 3.7Å; E307-M316 WeakPolarHBondContact O-CB 3.27Å; E307-M316 VanDerWaalsContact O-CE 3.31Å; E307-M316 WeakPolarHBondContact O-CE 3.35Å; E307-M316 WeakPolarHBondContact O-CG 3.12Å; E307-M316 PolarHBondContact O-N 2.95Å; C309-M316 HydrophobicContact CB-CG 3.69Å; C309-M316 HydrophobicContact CB-SD 3.82Å; M316-I327 HydrophobicContact CE-CB 4.33Å; M316-I327 HydrophobicContact CE-CG2 3.95Å; M316-I327 HydrophobicContact SD-CG2 3.87Å; M316-F328 WeakPolarHBondContact SD-CA 3.46Å; M316-H329 PolarHBondContact SD-N 3.27Å; M316-H329 VanDerWaalsContact SD-N 3.43Å
317	R	74.8	Confident	85.5	Confident	129 Å²	129	58.1 Å²	58.1	49%	0.487	28%	0.28	S	S	.	.	S	Bend	trans	-135.4	-81.6	173.3	-74.9	170.1	158.5	-169.4	-15.9	106.8	D222 D223 Y304	D222-R317 IonicContact OD1-CZ 3.34Å; D222-R317 IonicContact OD1-NH1 2.75Å; D222-R317 PolarHBondContact OD1-NH1 3.07Å; D222-R317 IonicContact OD1-NH2 2.99Å; D222-R317 IonicContact OD2-CZ 2.71Å; D222-R317 IonicContact OD2-NH1 3.76Å; D222-R317 PolarHBondContact OD2-NH1 2.92Å; D222-R317 IonicContact OD2-NH2 3.63Å; D222-R317 PolarHBondContact OD2-NH2 3Å; D223-R317 IonicContact OD1-NH1 3.48Å; D223-R317 WeakPolarHBondContact OD2-CD 3.31Å; D223-R317 IonicContact OD2-CZ 3.82Å; D223-R317 IonicContact OD2-NE 3.97Å; D223-R317 IonicContact OD2-NH1 2.75Å; D223-R317 PolarHBondContact OD2-NH1 2.98Å; Y304-R317 VanDerWaalsContact CD1-O 3.27Å; Y304-R317 WeakPolarHBondContact CD1-O 3.44Å
318	K	77.2	Confident	85.7	Confident	54 Å²	54	51.8 Å²	51.8	24%	0.235	25%	0.251	C	S	.	.	S	Bend	trans	-85.6	115.8	163.8	-157.4	174	-170.1	174.4	0	109.1	D224 I302 T330	D224-K318 WeakPolarHBondContact OD1-CD 3.37Å; D224-K318 WeakPolarHBondContact OD1-CE 3.29Å; D224-K318 IonicContact OD1-NZ 3.53Å; D224-K318 PolarHBondContact OD1-NZ 3.21Å; D224-K318 IonicContact OD2-NZ 3.24Å; D224-K318 PolarHBondContact OD2-NZ 3.27Å; I302-K318 HydrophobicContact CG2-CG 3.98Å; K318-T330 PolarHBondContact O-N 3.46Å; K318-T330 PolarHBondContact O-OG1 3.13Å
319	S	83.1	Confident	85.6	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	167.1	-178.8	40.3	0	0	0	0	111	I302 V303 S305 F328	I302-S319 CarbonylContact C-O 3.59Å; I302-S319 WeakPolarHBondContact CA-O 3.43Å; V303-S319 PolarHBondContact N-O 3.05Å; V303-S319 CarbonylContact O-C 3.49Å; V303-S319 WeakPolarHBondContact O-CA 3.36Å; V303-S319 WeakPolarHBondContact O-CB 3.33Å; V303-S319 PolarHBondContact O-N 3.46Å; V303-S319 PolarHBondContact O-OG 2.94Å; S305-S319 PolarHBondContact N-OG 3.25Å; S319-F328 CarbonylContact C-O 3.59Å; S319-F328 WeakPolarHBondContact CA-O 3.27Å; S319-F328 WeakPolarHBondContact CB-O 3.29Å
320	C	85.5	Confident	85.3	Confident	3 Å²	3	49.7 Å²	49.7	2%	0.02	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	136.7	176.2	-177.2	0	0	0	0	109.7	L298 R301 I327 F328 L333	L298-C320 VanDerWaalsContact CB-SG 3.55Å; L298-C320 VanDerWaalsContact CD2-SG 3.56Å; L298-C320 PolarHBondContact O-SG 3.11Å; R301-C320 WeakPolarHBondContact O-CA 3.36Å; R301-C320 PolarHBondContact O-SG 2.96Å; C320-I327 WeakPolarHBondContact O-CA 3.47Å; C320-F328 PolarHBondContact N-O 3.21Å; C320-F328 PolarHBondContact O-N 2.92Å; C320-L333 HydrophobicContact CB-CD2 3.96Å
321	Q	87.9	Confident	84.9	Confident	74 Å²	74	47.4 Å²	47.4	35%	0.346	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	124.2	177.5	-168.7	173	36.7	0	0	110.9	R301 V303 G325 H326 I327	R301-Q321 VanDerWaalsContact CB-O 3.28Å; R301-Q321 WeakPolarHBondContact CB-O 3.41Å; R301-Q321 VanDerWaalsContact CD-O 3.26Å; R301-Q321 WeakPolarHBondContact CD-O 3.48Å; R301-Q321 PolarHBondContact O-N 3.04Å; V303-Q321 HydrophobicContact CG1-CB 4.09Å; V303-Q321 HydrophobicContact CG2-CB 3.98Å; Q321-G325 WeakPolarHBondContact CG-O 3.45Å; Q321-G325 PolarHBondContact NE2-O 2.89Å; Q321-H326 WeakPolarHBondContact CA-O 3.31Å; Q321-I327 HydrophobicContact CB-CG1 4.12Å; Q321-I327 HydrophobicContact CG-CG1 3.88Å
322	L	86.3	Confident	84.8	Confident	1 Å²	1	46.9 Å²	46.9	1%	0.005	22%	0.224	C	C	.	.			trans	-72	156.8	173.5	-77.1	59.3	0	0	0	109.9	C324 G325 H326 F328 L333 C343 F350	L322-C324 VanDerWaalsContact CB-SG 3.51Å; L322-C324 PolarHBondContact O-N 3.08Å; L322-G325 PolarHBondContact O-N 3.39Å; L322-H326 PolarHBondContact N-O 3.39Å; L322-F328 HydrophobicContact CD1-CD2 3.5Å; L322-F328 VanDerWaalsContact CD1-CD2 3.5Å; L322-F328 HydrophobicContact CD1-CE2 3.6Å; L322-F328 HydrophobicContact CD2-CE2 3.85Å; L322-F328 HydrophobicContact CG-CE2 4.36Å; L322-L333 HydrophobicContact CD1-CD1 3.87Å; L322-L333 HydrophobicContact CD1-CD2 3.43Å; L322-L333 VanDerWaalsContact CD1-CD2 3.43Å; L322-L333 HydrophobicContact CD1-CG 4.31Å; L322-C343 HydrophobicContact CD2-CB 3.71Å; L322-F350 HydrophobicContact CD2-CE1 3.63Å; L322-F350 HydrophobicContact CD2-CZ 4.32Å; L322-F350 HydrophobicContact CG-CE1 3.95Å
323	P	82.9	Confident	84.8	Confident	30 Å²	30	46.7 Å²	46.7	20%	0.195	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-13.3	172.1	-16	26.4	0	0	0	114.3	G325 L353	P323-G325 VanDerWaalsContact C-N 3.28Å; P323-L353 HydrophobicContact CB-CB 3.94Å; P323-L353 HydrophobicContact CB-CD1 4.14Å; P323-L353 HydrophobicContact CB-CD2 4.34Å; P323-L353 HydrophobicContact CB-CG 4.36Å; P323-L353 HydrophobicContact CG-CB 4.01Å; P323-L353 HydrophobicContact CG-CD1 4.2Å
324	C	87.6	Confident	84.6	Confident	24 Å²	24	37 Å²	37	16%	0.162	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.5	17.9	169.5	65.8	0	0	0	0	113.9	L322 H326 C343 K348 L353	L322-C324 VanDerWaalsContact CB-SG 3.51Å; L322-C324 PolarHBondContact O-N 3.08Å; C324-H326 PolarHBondContact O-N 3.5Å; C324-H326 VanDerWaalsContact O-N 3.13Å; C324-H326 PolarHBondContact O-ND1 3.41Å; C324-C343 VanDerWaalsContact SG-SG 3.64Å; C324-K348 HydrophobicContact CB-CD 4.45Å; C324-L353 HydrophobicContact CB-CD1 4.1Å; C324-L353 HydrophobicContact CB-CD2 4.24Å
325	G	87.2	Confident	84.3	Confident	41 Å²	41	35.3 Å²	35.3	42%	0.423	18%	0.179	S	C	.	.	S	Bend	trans	79.4	-19.2	175.3	0	0	0	0	0	116.3	Q321 L322 P323	Q321-G325 WeakPolarHBondContact CG-O 3.45Å; Q321-G325 PolarHBondContact NE2-O 2.89Å; L322-G325 PolarHBondContact O-N 3.39Å; P323-G325 VanDerWaalsContact C-N 3.28Å
326	H	90.9	Very high	84.5	Confident	58 Å²	58	30.8 Å²	30.8	27%	0.269	16%	0.158	S	C	.	.			trans	-72.4	141	-175.4	-65.6	75.8	0	0	0	112.3	Q321 L322 C324 F328 V345	Q321-H326 WeakPolarHBondContact CA-O 3.31Å; L322-H326 PolarHBondContact N-O 3.39Å; C324-H326 PolarHBondContact O-N 3.5Å; C324-H326 VanDerWaalsContact O-N 3.13Å; C324-H326 PolarHBondContact O-ND1 3.41Å; H326-F328 HydrophobicContact CB-CE2 3.69Å; H326-F328 HydrophobicContact CB-CZ 3.94Å; H326-V345 VanDerWaalsContact CD2-CB 3.44Å; H326-V345 WeakPolarHBondContact CD2-CB 3.41Å; H326-V345 VanDerWaalsContact NE2-CG1 3.34Å; H326-V345 WeakPolarHBondContact NE2-CG1 3.39Å
327	I	89.9	Confident	84.7	Confident	47 Å²	47	30.6 Å²	30.6	24%	0.241	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	137.9	-174.5	-53.5	174.5	0	0	0	110.2	V303 P310 M316 C320 Q321	V303-I327 HydrophobicContact CG2-CD1 4.29Å; V303-I327 HydrophobicContact CG2-CG1 4.39Å; V303-I327 HydrophobicContact CG2-CG2 3.8Å; P310-I327 WeakPolarHBondContact CD-O 3.38Å; M316-I327 HydrophobicContact CE-CB 4.33Å; M316-I327 HydrophobicContact CE-CG2 3.95Å; M316-I327 HydrophobicContact SD-CG2 3.87Å; C320-I327 WeakPolarHBondContact O-CA 3.47Å; Q321-I327 HydrophobicContact CB-CG1 4.12Å; Q321-I327 HydrophobicContact CG-CG1 3.88Å
328	F	89.7	Confident	84.9	Confident	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	159.1	177.8	-52.5	-88.9	0	0	0	110.4	P310 I311 M316 S319 C320 L322 H326 T330 L333 P344 V345	P310-F328 HydrophobicContact CB-CD1 4.42Å; P310-F328 HydrophobicContact CB-CE1 3.99Å; P310-F328 HydrophobicContact CG-CD1 4.29Å; P310-F328 HydrophobicContact CG-CE1 4.01Å; I311-F328 HydrophobicContact CD1-CB 4.19Å; I311-F328 HydrophobicContact CD1-CD1 3.51Å; I311-F328 HydrophobicContact CD1-CE1 4.15Å; I311-F328 HydrophobicContact CD1-CG 4Å; I311-F328 HydrophobicContact CG1-CD1 3.62Å; I311-F328 HydrophobicContact CG1-CE1 4Å; M316-F328 WeakPolarHBondContact SD-CA 3.46Å; S319-F328 CarbonylContact C-O 3.59Å; S319-F328 WeakPolarHBondContact CA-O 3.27Å; S319-F328 WeakPolarHBondContact CB-O 3.29Å; C320-F328 PolarHBondContact N-O 3.21Å; C320-F328 PolarHBondContact O-N 2.92Å; L322-F328 HydrophobicContact CD1-CD2 3.5Å; L322-F328 VanDerWaalsContact CD1-CD2 3.5Å; L322-F328 HydrophobicContact CD1-CE2 3.6Å; L322-F328 HydrophobicContact CD2-CE2 3.85Å; L322-F328 HydrophobicContact CG-CE2 4.36Å; H326-F328 HydrophobicContact CB-CE2 3.69Å; H326-F328 HydrophobicContact CB-CZ 3.94Å; F328-T330 PolarHBondContact O-N 3.01Å; F328-L333 HydrophobicContact CB-CB 4.25Å; F328-L333 HydrophobicContact CD2-CD1 4.17Å; F328-P344 HydrophobicContact CD1-CG 4.4Å; F328-P344 HydrophobicContact CE1-CB 3.94Å; F328-P344 HydrophobicContact CE1-CG 3.73Å; F328-P344 HydrophobicContact CE2-CG 4.36Å; F328-P344 HydrophobicContact CZ-CB 4.07Å; F328-P344 HydrophobicContact CZ-CG 3.72Å; F328-V345 HydrophobicContact CE1-CG2 4.01Å; F328-V345 HydrophobicContact CZ-CG2 3.91Å
329	H	86.2	Confident	85	Confident	26 Å²	26	30.4 Å²	30.4	12%	0.12	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.3	138.2	163.4	-67.6	103.3	0	0	0	109.3	C309 C312 E314 K315 M316 A331 C332 L333	C309-H329 WeakPolarHBondContact CB-ND1 3.03Å; C309-H329 PolarHBondContact SG-N 2.58Å; C309-H329 VanDerWaalsContact SG-N 3.39Å; C312-H329 PolarHBondContact SG-CE1 2.87Å; C312-H329 PolarHBondContact SG-ND1 2.92Å; E314-H329 PolarHBondContact O-CE1 2.82Å; E314-H329 VanDerWaalsContact O-CE1 3.29Å; K315-H329 PolarHBondContact O-CE1 3.29Å; K315-H329 PolarHBondContact O-NE2 3.27Å; M316-H329 PolarHBondContact SD-N 3.27Å; M316-H329 VanDerWaalsContact SD-N 3.43Å; H329-A331 PolarHBondContact O-N 2.97Å; H329-C332 HydrophobicContact CB-CB 4.06Å; H329-C332 PolarHBondContact O-N 3.27Å; H329-L333 PolarHBondContact O-N 3.35Å; H329-L333 VanDerWaalsContact O-N 3.15Å
330	T	82.8	Confident	85.1	Confident	18 Å²	18	33 Å²	33	11%	0.11	18%	0.176	C	C	.	.	H	α-helix	trans	-44.5	-62.7	174.9	-55.8	0	0	0	0	110.6	Y227 K318 F328 C332 L333 Y334	Y227-T330 HydrophobicContact CD2-CG2 4.41Å; K318-T330 PolarHBondContact O-N 3.46Å; K318-T330 PolarHBondContact O-OG1 3.13Å; F328-T330 PolarHBondContact O-N 3.01Å; T330-C332 PolarHBondContact O-N 3.5Å; T330-L333 WeakPolarHBondContact O-CB 3.42Å; T330-L333 PolarHBondContact O-N 3.34Å; T330-Y334 HydrophobicContact CG2-CD2 4.12Å; T330-Y334 HydrophobicContact CG2-CE2 3.58Å; T330-Y334 WeakPolarHBondContact O-CD2 3.48Å; T330-Y334 PolarHBondContact O-N 3.06Å
331	A	80.1	Confident	84.9	Confident	17 Å²	17	35.8 Å²	35.8	14%	0.14	19%	0.191	C	C	.	.	H	α-helix	trans	-59.1	-37.8	-177.5	0	0	0	0	0	115	V226 F230 H329 L333 L335	V226-A331 HydrophobicContact CG1-CB 3.98Å; F230-A331 HydrophobicContact CD2-CB 4.03Å; F230-A331 HydrophobicContact CE2-CB 4.02Å; H329-A331 PolarHBondContact O-N 2.97Å; A331-L333 VanDerWaalsContact C-N 3.26Å; A331-L333 PolarHBondContact O-N 2.87Å; A331-L335 PolarHBondContact O-N 2.97Å
332	C	84.3	Confident	85	Confident	7 Å²	7	34.3 Å²	34.3	5%	0.047	19%	0.186	C	C	.	.	H	α-helix	trans	-62	-36.8	176.6	-73	0	0	0	0	112.1	I311 C312 H329 T330 W336 Y732	I311-C332 HydrophobicContact CB-CB 4.08Å; I311-C332 HydrophobicContact CD1-CB 3.74Å; I311-C332 HydrophobicContact CG2-CB 3.99Å; C312-C332 VanDerWaalsContact SG-SG 3.67Å; H329-C332 HydrophobicContact CB-CB 4.06Å; H329-C332 PolarHBondContact O-N 3.27Å; T330-C332 PolarHBondContact O-N 3.5Å; C332-W336 PolarHBondContact O-N 3.2Å; C332-Y732 VanDerWaalsContact SG-CE1 3.58Å
333	L	86.6	Confident	85.1	Confident	1 Å²	1	34.3 Å²	34.3	1%	0.005	19%	0.186	C	C	.	.	H	α-helix	trans	-72.9	-42.9	-177.6	-177.1	57.3	0	0	0	112.1	L298 C320 L322 F328 H329 T330 A331 L335 W336 I337	L298-L333 HydrophobicContact CD1-CD2 3.77Å; L298-L333 HydrophobicContact CD1-CG 4.07Å; L298-L333 HydrophobicContact CD2-CD2 3.98Å; L298-L333 HydrophobicContact CG-CD2 4.46Å; C320-L333 HydrophobicContact CB-CD2 3.96Å; L322-L333 HydrophobicContact CD1-CD1 3.87Å; L322-L333 HydrophobicContact CD1-CD2 3.43Å; L322-L333 VanDerWaalsContact CD1-CD2 3.43Å; L322-L333 HydrophobicContact CD1-CG 4.31Å; F328-L333 HydrophobicContact CB-CB 4.25Å; F328-L333 HydrophobicContact CD2-CD1 4.17Å; H329-L333 PolarHBondContact O-N 3.35Å; H329-L333 VanDerWaalsContact O-N 3.15Å; T330-L333 WeakPolarHBondContact O-CB 3.42Å; T330-L333 PolarHBondContact O-N 3.34Å; A331-L333 VanDerWaalsContact C-N 3.26Å; A331-L333 PolarHBondContact O-N 2.87Å; L333-L335 VanDerWaalsContact C-N 3.34Å; L333-L335 PolarHBondContact O-N 3.25Å; L333-W336 PolarHBondContact O-N 3Å; L333-I337 HydrophobicContact CD1-CD1 3.74Å; L333-I337 HydrophobicContact CD1-CG1 4.18Å; L333-I337 HydrophobicContact CD2-CD1 4.47Å; L333-I337 HydrophobicContact CG-CD1 3.62Å; L333-I337 HydrophobicContact CG-CG1 4.5Å; L333-I337 WeakPolarHBondContact O-CD1 3.4Å; L333-I337 VanDerWaalsContact O-CG1 3.24Å; L333-I337 WeakPolarHBondContact O-CG1 3.4Å; L333-I337 PolarHBondContact O-N 3.02Å
334	Y	81.9	Confident	85.4	Confident	7 Å²	7	34.4 Å²	34.4	3%	0.027	19%	0.186	C	C	.	.	H	α-helix	trans	-56.6	-47.2	174.6	-76.1	-89.8	0	0	0	111.8	Y227 V231 L295 T330 W336 I337 E338	Y227-Y334 AromaticContact CD2-CD2 3.83Å; Y227-Y334 HydrophobicContact CD2-CD2 3.83Å; Y227-Y334 HydrophobicContact CD2-CE1 4.38Å; Y227-Y334 AromaticContact CD2-CE2 3.71Å; Y227-Y334 HydrophobicContact CD2-CE2 3.71Å; Y227-Y334 HydrophobicContact CD2-CG 4.32Å; Y227-Y334 HydrophobicContact CE2-CD1 4.11Å; Y227-Y334 HydrophobicContact CE2-CD2 4.04Å; Y227-Y334 AromaticContact CE2-CE1 3.64Å; Y227-Y334 HydrophobicContact CE2-CE1 3.64Å; Y227-Y334 AromaticContact CE2-CE2 3.64Å; Y227-Y334 HydrophobicContact CE2-CE2 3.64Å; Y227-Y334 HydrophobicContact CE2-CG 4.32Å; Y227-Y334 AromaticContact CE2-CZ 3.44Å; Y227-Y334 VanDerWaalsContact CE2-CZ 3.44Å; V231-Y334 HydrophobicContact CG2-CD1 4.46Å; L295-Y334 HydrophobicContact CB-CE1 4.14Å; L295-Y334 HydrophobicContact CD1-CD1 4.05Å; L295-Y334 HydrophobicContact CD1-CE1 3.64Å; L295-Y334 HydrophobicContact CD2-CD1 3.49Å; L295-Y334 VanDerWaalsContact CD2-CD1 3.49Å; L295-Y334 HydrophobicContact CD2-CE1 3.34Å; L295-Y334 HydrophobicContact CG-CD1 4.3Å; L295-Y334 HydrophobicContact CG-CE1 3.82Å; T330-Y334 HydrophobicContact CG2-CD2 4.12Å; T330-Y334 HydrophobicContact CG2-CE2 3.58Å; T330-Y334 WeakPolarHBondContact O-CD2 3.48Å; T330-Y334 PolarHBondContact O-N 3.06Å; Y334-W336 VanDerWaalsContact C-N 3.26Å; Y334-W336 PolarHBondContact O-N 3.46Å; Y334-I337 PolarHBondContact O-N 3.1Å; Y334-E338 PolarHBondContact O-N 3.12Å
335	L	80.7	Confident	85.6	Confident	35 Å²	35	36.6 Å²	36.6	18%	0.183	20%	0.199	C	C	.	.	H	α-helix	trans	-62	-30.2	178.8	-173.3	67.7	0	0	0	113.3	F230 A331 L333 L736	F230-L335 HydrophobicContact CD1-CD1 3.97Å; F230-L335 HydrophobicContact CE1-CD1 3.93Å; F230-L335 HydrophobicContact CE1-CD2 4.31Å; F230-L335 HydrophobicContact CZ-CD2 4.49Å; A331-L335 PolarHBondContact O-N 2.97Å; L333-L335 VanDerWaalsContact C-N 3.34Å; L333-L335 PolarHBondContact O-N 3.25Å; L335-L736 HydrophobicContact CD1-CD2 3.99Å; L335-L736 HydrophobicContact CD2-CD1 4.12Å; L335-L736 HydrophobicContact CD2-CD2 4.14Å; L335-L736 HydrophobicContact CD2-CG 4.25Å; L335-L736 HydrophobicContact CG-CD2 4.07Å
336	W	86.6	Confident	85.8	Confident	63 Å²	63	37 Å²	37	24%	0.239	19%	0.194	C	C	.	.	H	α-helix	trans	-76.6	-40.5	174.6	177	-90	0	0	0	112.3	C332 L333 Y334 Q339 N340 N342 P344 L735	C332-W336 PolarHBondContact O-N 3.2Å; L333-W336 PolarHBondContact O-N 3Å; Y334-W336 VanDerWaalsContact C-N 3.26Å; Y334-W336 PolarHBondContact O-N 3.46Å; W336-Q339 PolarHBondContact O-N 3.44Å; W336-Q339 VanDerWaalsContact O-N 3.11Å; W336-N340 HydrophobicContact CZ2-CB 4.12Å; W336-N340 PolarHBondContact O-N 2.95Å; W336-N340 PolarHBondContact O-ND2 3.47Å; W336-N342 PolarHBondContact NE1-O 2.89Å; W336-P344 HydrophobicContact CD2-CB 4.26Å; W336-P344 HydrophobicContact CD2-CG 3.86Å; W336-P344 HydrophobicContact CG-CG 3.86Å; W336-P344 HydrophobicContact CZ2-CB 4.15Å; W336-P344 HydrophobicContact CZ2-CG 4.41Å; W336-L735 HydrophobicContact CZ3-CD2 4.15Å
337	I	85.5	Confident	85.7	Confident	8 Å²	8	43.5 Å²	43.5	4%	0.041	22%	0.216	C	C	.	.	H	α-helix	trans	-69.7	-31.8	-176.9	-69.2	161.2	0	0	0	112.5	Y291 V294 L298 L333 Y334 Q339 N340 F350	Y291-I337 HydrophobicContact CD2-CG2 4.06Å; V294-I337 HydrophobicContact CB-CG2 4.24Å; V294-I337 HydrophobicContact CG1-CD1 3.73Å; V294-I337 HydrophobicContact CG1-CG1 4.37Å; V294-I337 HydrophobicContact CG1-CG2 4.01Å; L298-I337 HydrophobicContact CD1-CD1 3.31Å; L333-I337 HydrophobicContact CD1-CD1 3.74Å; L333-I337 HydrophobicContact CD1-CG1 4.18Å; L333-I337 HydrophobicContact CD2-CD1 4.47Å; L333-I337 HydrophobicContact CG-CD1 3.62Å; L333-I337 HydrophobicContact CG-CG1 4.5Å; L333-I337 WeakPolarHBondContact O-CD1 3.4Å; L333-I337 VanDerWaalsContact O-CG1 3.24Å; L333-I337 WeakPolarHBondContact O-CG1 3.4Å; L333-I337 PolarHBondContact O-N 3.02Å; Y334-I337 PolarHBondContact O-N 3.1Å; I337-Q339 PolarHBondContact O-N 3.4Å; I337-Q339 VanDerWaalsContact O-N 3.09Å; I337-N340 WeakPolarHBondContact CA-O 3.26Å; I337-F350 HydrophobicContact CD1-CE2 4.38Å; I337-F350 HydrophobicContact CD1-CZ 4.17Å; I337-F350 HydrophobicContact CG1-CE2 3.65Å; I337-F350 HydrophobicContact CG1-CZ 3.76Å
338	E	80.4	Confident	85.5	Confident	57 Å²	57	47 Å²	47	27%	0.266	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.5	-27	168.5	-179.3	177.8	-138	0	0	112.6	Y234 H287 Y291 Y334	Y234-E338 HydrophobicContact CD2-CG 4.08Å; Y234-E338 HydrophobicContact CE2-CG 4.45Å; H287-E338 PolarHBondContact CE1-O 3.37Å; H287-E338 PolarHBondContact NE2-O 3.01Å; Y291-E338 HydrophobicContact CE2-CB 4.45Å; Y334-E338 PolarHBondContact O-N 3.12Å
339	Q	78.4	Confident	85.3	Confident	121 Å²	121	48.6 Å²	48.6	57%	0.565	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-116.5	-26.7	-176.2	-60.7	-178.1	20.1	0	0	114.3	W336 I337	W336-Q339 PolarHBondContact O-N 3.44Å; W336-Q339 VanDerWaalsContact O-N 3.11Å; I337-Q339 PolarHBondContact O-N 3.4Å; I337-Q339 VanDerWaalsContact O-N 3.09Å
340	N	84.9	Confident	84.9	Confident	56 Å²	56	48 Å²	48	30%	0.299	24%	0.238	S	C	.	.			trans	-138.8	131	-171.2	-51.3	-93.9	0	0	0	111.4	W336 I337 N342	W336-N340 HydrophobicContact CZ2-CB 4.12Å; W336-N340 PolarHBondContact O-N 2.95Å; W336-N340 PolarHBondContact O-ND2 3.47Å; I337-N340 WeakPolarHBondContact CA-O 3.26Å; N340-N342 PolarHBondContact O-N 3.44Å
341	N	83	Confident	84.3	Confident	61 Å²	61	50.3 Å²	50.3	33%	0.326	25%	0.249	S	C	.	.	S	Bend	trans	-87.2	30.1	175.7	72.8	-47.1	0	0	0	113.4	C349 F350 D351	N341-C349 CarbonylContact O-C 3.13Å; N341-C349 WeakPolarHBondContact O-CA 3.48Å; N341-F350 HydrophobicContact CB-CD2 4.35Å; N341-F350 WeakPolarHBondContact O-CD2 3.38Å; N341-F350 PolarHBondContact O-N 3.04Å; N341-D351 PolarHBondContact ND2-OD2 2.9Å
342	N	88.6	Confident	83.7	Confident	43 Å²	43	53.3 Å²	53.3	23%	0.23	26%	0.263	C	S	.	.	B	Isolated β-bridge	trans	-127.2	151.7	-170.6	-53.5	88.3	0	0	0	112.1	W336 N340 R347 K348 C349 F350	W336-N342 PolarHBondContact NE1-O 2.89Å; N340-N342 PolarHBondContact O-N 3.44Å; N342-R347 PolarHBondContact ND2-O 3.3Å; N342-K348 WeakPolarHBondContact CA-O 3.41Å; N342-C349 PolarHBondContact ND2-SG 3.38Å; N342-F350 VanDerWaalsContact N-CE2 3.34Å; N342-F350 WeakPolarHBondContact O-CZ 3.34Å
343	C	88.2	Confident	82.6	Confident	1 Å²	1	53.6 Å²	53.6	1%	0.007	26%	0.264	C	S	.	.			trans	-62	131.1	163.7	177.6	0	0	0	0	111.1	L322 C324 V345 C346 R347 K348	L322-C343 HydrophobicContact CD2-CB 3.71Å; C324-C343 VanDerWaalsContact SG-SG 3.64Å; C343-V345 PolarHBondContact O-N 2.93Å; C343-V345 PolarHBondContact SG-N 3.43Å; C343-C346 VanDerWaalsContact CB-SG 3.59Å; C343-R347 WeakPolarHBondContact O-CA 3.47Å; C343-R347 PolarHBondContact O-N 2.96Å; C343-K348 PolarHBondContact N-O 2.82Å
344	P	90.6	Very high	81.1	Confident	31 Å²	31	57.7 Å²	57.7	20%	0.201	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56	-32.7	177.2	-22.6	27.4	0	0	0	114.8	I311 F328 W336	I311-P344 HydrophobicContact CD1-CG 4Å; I311-P344 HydrophobicContact CG1-CB 4.36Å; I311-P344 HydrophobicContact CG1-CG 4.18Å; F328-P344 HydrophobicContact CD1-CG 4.4Å; F328-P344 HydrophobicContact CE1-CB 3.94Å; F328-P344 HydrophobicContact CE1-CG 3.73Å; F328-P344 HydrophobicContact CE2-CG 4.36Å; F328-P344 HydrophobicContact CZ-CB 4.07Å; F328-P344 HydrophobicContact CZ-CG 3.72Å; W336-P344 HydrophobicContact CD2-CB 4.26Å; W336-P344 HydrophobicContact CD2-CG 3.86Å; W336-P344 HydrophobicContact CG-CG 3.86Å; W336-P344 HydrophobicContact CZ2-CB 4.15Å; W336-P344 HydrophobicContact CZ2-CG 4.41Å
345	V	90.4	Very high	79.8	Confident	71 Å²	71	63.7 Å²	63.7	43%	0.43	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93	-67.1	-175.2	-179.2	0	0	0	0	110.9	P310 H326 F328 C343	P310-V345 HydrophobicContact CB-CG2 3.97Å; P310-V345 HydrophobicContact CG-CG2 4.3Å; H326-V345 VanDerWaalsContact CD2-CB 3.44Å; H326-V345 WeakPolarHBondContact CD2-CB 3.41Å; H326-V345 VanDerWaalsContact NE2-CG1 3.34Å; H326-V345 WeakPolarHBondContact NE2-CG1 3.39Å; F328-V345 HydrophobicContact CE1-CG2 4.01Å; F328-V345 HydrophobicContact CZ-CG2 3.91Å; C343-V345 PolarHBondContact O-N 2.93Å; C343-V345 PolarHBondContact SG-N 3.43Å
346	C	91.8	Very high	78.3	Confident	48 Å²	48	66.9 Å²	66.9	32%	0.324	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-0.3	-174.1	68.4	0	0	0	0	115.5	C343 K348	C343-C346 VanDerWaalsContact CB-SG 3.59Å; C346-K348 PolarHBondContact O-N 3.21Å
347	R	89.1	Confident	76.1	Confident	196 Å²	196	68 Å²	68	74%	0.74	35%	0.352	S	S	*	.			trans	59.8	-7.6	175.2	-54.5	-173.7	-176.4	-166.1	2.7	118.4	N342 C343 C349	N342-R347 PolarHBondContact ND2-O 3.3Å; C343-R347 WeakPolarHBondContact O-CA 3.47Å; C343-R347 PolarHBondContact O-N 2.96Å; R347-C349 PolarHBondContact O-N 2.89Å
348	K	86.6	Confident	74	Confident	121 Å²	121	72.1 Å²	72.1	53%	0.526	38%	0.379	S	S	.	.			trans	-46.8	137.2	168.9	-63.9	-170.8	176.2	-170.8	0	110.5	C324 N342 C343 C346	C324-K348 HydrophobicContact CB-CD 4.45Å; N342-K348 WeakPolarHBondContact CA-O 3.41Å; C343-K348 PolarHBondContact N-O 2.82Å; C346-K348 PolarHBondContact O-N 3.21Å
349	C	83.8	Confident	71.9	Confident	32 Å²	32	76.1 Å²	76.1	22%	0.216	40%	0.403	C	S	.	.	B	Isolated β-bridge	trans	-76.9	151.8	-179	-46.3	0	0	0	0	110.4	N341 N342 R347 D351 D352 L353	N341-C349 CarbonylContact O-C 3.13Å; N341-C349 WeakPolarHBondContact O-CA 3.48Å; N342-C349 PolarHBondContact ND2-SG 3.38Å; R347-C349 PolarHBondContact O-N 2.89Å; C349-D351 PolarHBondContact O-N 3.45Å; C349-D352 WeakPolarHBondContact CB-OD2 3.28Å; C349-D352 PolarHBondContact N-OD2 3.49Å; C349-D352 VanDerWaalsContact N-OD2 3.13Å; C349-D352 PolarHBondContact O-N 2.69Å; C349-D352 PolarHBondContact SG-OD2 2.91Å; C349-D352 VanDerWaalsContact SG-OD2 3.39Å; C349-L353 WeakPolarHBondContact O-CG 3.27Å
350	F	77.9	Confident	69.7	Low	15 Å²	15	76.4 Å²	76.4	7%	0.066	41%	0.413	C	S	.	.	S	Bend	trans	-67.5	-24.8	174.7	-57.8	-64.3	0	0	0	112.7	V294 L322 I337 N341 N342 L353	V294-F350 HydrophobicContact CG1-CD1 4.5Å; V294-F350 HydrophobicContact CG1-CD2 4.34Å; V294-F350 HydrophobicContact CG1-CG 4.25Å; V294-F350 HydrophobicContact CG2-CB 3.8Å; V294-F350 HydrophobicContact CG2-CD2 4.18Å; V294-F350 HydrophobicContact CG2-CG 4.12Å; L322-F350 HydrophobicContact CD2-CE1 3.63Å; L322-F350 HydrophobicContact CD2-CZ 4.32Å; L322-F350 HydrophobicContact CG-CE1 3.95Å; I337-F350 HydrophobicContact CD1-CE2 4.38Å; I337-F350 HydrophobicContact CD1-CZ 4.17Å; I337-F350 HydrophobicContact CG1-CE2 3.65Å; I337-F350 HydrophobicContact CG1-CZ 3.76Å; N341-F350 HydrophobicContact CB-CD2 4.35Å; N341-F350 WeakPolarHBondContact O-CD2 3.38Å; N341-F350 PolarHBondContact O-N 3.04Å; N342-F350 VanDerWaalsContact N-CE2 3.34Å; N342-F350 WeakPolarHBondContact O-CZ 3.34Å; F350-L353 PolarHBondContact O-N 3.35Å
351	D	71.4	Confident	67.4	Low	65 Å²	65	81 Å²	81	35%	0.348	44%	0.443	S	S	.	.	G	3₁₀ helix	trans	-70.8	-32	177	-55.1	-74.3	0	0	0	111.8	N341 C349 L353 N354	N341-D351 PolarHBondContact ND2-OD2 2.9Å; C349-D351 PolarHBondContact O-N 3.45Å; D351-L353 PolarHBondContact O-N 3.01Å; D351-N354 VanDerWaalsContact O-CG 3.24Å; D351-N354 PolarHBondContact O-ND2 3.21Å
352	D	66.4	Low	65	Low	81 Å²	81	82.2 Å²	82.2	43%	0.433	46%	0.461	S	S	.	.	G	3₁₀ helix	trans	-75.6	-9.7	177.1	-48.2	-39.9	0	0	0	112.9	C349	C349-D352 WeakPolarHBondContact CB-OD2 3.28Å; C349-D352 PolarHBondContact N-OD2 3.49Å; C349-D352 VanDerWaalsContact N-OD2 3.13Å; C349-D352 PolarHBondContact O-N 2.69Å; C349-D352 PolarHBondContact SG-OD2 2.91Å; C349-D352 VanDerWaalsContact SG-OD2 3.39Å
353	L	61.1	Low	62.2	Low	12 Å²	12	86.2 Å²	86.2	6%	0.063	49%	0.487	C	S	.	.	G	3₁₀ helix	trans	-99.2	19.1	-173.2	-68.4	176.5	0	0	0	113	P323 C324 C349 F350 D351 L356	P323-L353 HydrophobicContact CB-CB 3.94Å; P323-L353 HydrophobicContact CB-CD1 4.14Å; P323-L353 HydrophobicContact CB-CD2 4.34Å; P323-L353 HydrophobicContact CB-CG 4.36Å; P323-L353 HydrophobicContact CG-CB 4.01Å; P323-L353 HydrophobicContact CG-CD1 4.2Å; C324-L353 HydrophobicContact CB-CD1 4.1Å; C324-L353 HydrophobicContact CB-CD2 4.24Å; C349-L353 WeakPolarHBondContact O-CG 3.27Å; F350-L353 PolarHBondContact O-N 3.35Å; D351-L353 PolarHBondContact O-N 3.01Å; L353-L356 HydrophobicContact CD2-CD1 4.1Å
354	N	56.7	Low	59.5	Low	88 Å²	88	93.9 Å²	93.9	47%	0.471	53%	0.528	S	S	.	.	S	Bend	trans	-73.4	-32.4	-178.4	-68.6	-25.2	0	0	0	113.4	K297 D351	K297-N354 PolarHBondContact NZ-OD1 2.97Å; D351-N354 VanDerWaalsContact O-CG 3.24Å; D351-N354 PolarHBondContact O-ND2 3.21Å
355	D	54.4	Low	56.7	Low	133 Å²	133	100.1 Å²	100.1	71%	0.711	56%	0.559	S	S	*	*	S	Bend	trans	-94.2	1.4	-166	-53.2	-24	0	0	0	113.2	S357	D355-S357 PolarHBondContact O-N 3.41Å
356	L	48.3	Very low	54	Low	102 Å²	102	102.4 Å²	102.4	53%	0.534	58%	0.576	S	S	.	*			trans	-95.4	95.7	-180	-73	169.9	0	0	0	111.9	L353	L353-L356 HydrophobicContact CD2-CD1 4.1Å
357	S	39.8	Very low	51.1	Low	85 Å²	85	106.4 Å²	106.4	59%	0.594	60%	0.599	S	S	*	*			trans	-52.7	147.5	166.9	-177	0	0	0	0	111.6	D355 N359	D355-S357 PolarHBondContact O-N 3.41Å; S357-N359 PolarHBondContact O-N 3.17Å
358	P	41.6	Very low	48.4	Very low	95 Å²	95	103.6 Å²	103.6	62%	0.617	60%	0.603	S	S	*	*	S	Bend	trans	-63.4	-12.1	-175.3	-24.2	35.6	0	0	0	116.7
359	N	36.1	Very low	45.9	Very low	142 Å²	142	102.9 Å²	102.9	76%	0.759	61%	0.613	S	S	*	*			trans	-110.3	51.7	-161.5	-66.3	-1.7	0	0	0	114.4	S357	S357-N359 PolarHBondContact O-N 3.17Å
360	T	33.4	Very low	43.6	Very low	127 Å²	127	107 Å²	107	78%	0.779	64%	0.64	S	S	*	*			trans	-148.9	39.9	171.6	-31	0	0	0	0	114.5
361	V	36.7	Very low	41.6	Very low	152 Å²	152	111.7 Å²	111.7	92%	0.921	68%	0.675	S	S	*	*			trans	-133.9	61.4	162.2	-165.3	0	0	0	0	110
362	A	32.1	Very low	39.8	Very low	86 Å²	86	113.7 Å²	113.7	71%	0.711	69%	0.691	S	S	*	*			trans	-123.7	152	159.6	0	0	0	0	0	107.5
363	T	29.9	Very low	38.2	Very low	127 Å²	127	119.3 Å²	119.3	78%	0.779	71%	0.712	S	S	*	*			trans	62.4	91.9	177.8	-46.1	0	0	0	0	115.1
364	N	32.3	Very low	37	Very low	163 Å²	163	123.4 Å²	123.4	87%	0.872	74%	0.742	S	S	*	*			trans	-178.6	76.1	130.6	-91	-22.7	0	0	0	110.8
365	L	32.1	Very low	35.8	Very low	161 Å²	161	125.3 Å²	125.3	84%	0.843	76%	0.756	S	S	*	*	S	Bend	trans	-123	125.6	154.4	-167.8	73.8	0	0	0	106.4	T367	L365-T367 PolarHBondContact O-N 2.96Å; L365-T367 VanDerWaalsContact O-N 3.13Å
366	P	32.5	Very low	35	Very low	120 Å²	120	123.1 Å²	123.1	78%	0.779	75%	0.751	S	S	*	*			trans	-70.5	109.8	-176.4	-19.4	32.6	0	0	0	111.6	T368	P366-T368 PolarHBondContact O-N 3.42Å
367	T	31	Very low	34.5	Very low	132 Å²	132	127 Å²	127	81%	0.81	77%	0.767	S	S	*	*			trans	-74.1	107.3	165.1	-57.5	0	0	0	0	108.5	L365 S369	L365-T367 PolarHBondContact O-N 2.96Å; L365-T367 VanDerWaalsContact O-N 3.13Å; T367-S369 PolarHBondContact O-N 3.36Å
368	T	33.5	Very low	34.4	Very low	137 Å²	137	127.8 Å²	127.8	84%	0.84	77%	0.773	S	S	*	*			trans	-65.6	99.4	168.4	35.7	0	0	0	0	110.1	P366	P366-T368 PolarHBondContact O-N 3.42Å
369	S	32.5	Very low	34.2	Very low	105 Å²	105	128.3 Å²	128.3	73%	0.734	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-81.1	136.3	168.7	-169.4	0	0	0	0	110	T367	T367-S369 PolarHBondContact O-N 3.36Å
370	P	36.3	Very low	34.3	Very low	120 Å²	120	129.6 Å²	129.6	78%	0.779	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-76.9	135.5	178.6	31	-34	0	0	0	112.1
371	S	35	Very low	34.5	Very low	113 Å²	113	129.1 Å²	129.1	79%	0.79	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-95.5	135.9	172.6	53.5	0	0	0	0	111.7
372	P	35.3	Very low	34.6	Very low	106 Å²	106	126.8 Å²	126.8	69%	0.688	76%	0.762	S	S	*	*			trans	-85.5	177.7	177	34.6	-35.1	0	0	0	113.7
373	F	32.4	Very low	34.9	Very low	200 Å²	200	133.8 Å²	133.8	88%	0.877	77%	0.77	S	S	*	*			trans	73.4	136.3	-179.2	-70.5	-92	0	0	0	114.8
374	S	35.3	Very low	35.2	Very low	98 Å²	98	131.3 Å²	131.3	69%	0.685	77%	0.77	S	S	*	*			cis	-144.2	168.9	11.5	-79.3	0	0	0	0	114.1
375	T	32.2	Very low	35.7	Very low	127 Å²	127	129.5 Å²	129.5	78%	0.779	77%	0.767	S	S	*	*			trans	-10.6	151.3	153.6	-0.5	0	0	0	0	118.7
376	S	37.2	Very low	35.9	Very low	87 Å²	87	126.5 Å²	126.5	61%	0.608	76%	0.759	S	S	*	*			cis	-152.2	164.4	25.3	-57.7	0	0	0	0	115.5
377	E	36.6	Very low	36.1	Very low	183 Å²	183	127.1 Å²	127.1	86%	0.855	76%	0.756	S	S	*	*			trans	33.2	141.1	139	-63.6	163.7	122	0	0	120.7
378	S	37.3	Very low	36.3	Very low	103 Å²	103	128.7 Å²	128.7	72%	0.72	75%	0.754	S	S	*	*			cis	-160.7	150.2	27.9	54.2	0	0	0	0	114.2
379	S	38.7	Very low	36.5	Very low	106 Å²	106	126 Å²	126	74%	0.741	74%	0.741	S	S	*	*			trans	29.6	143.6	143.1	66.1	0	0	0	0	122.5
380	E	37.9	Very low	36.8	Very low	168 Å²	168	125.5 Å²	125.5	79%	0.785	74%	0.737	S	S	*	*			cis	-149.5	142.3	31.4	-72.8	-175.4	109.5	0	0	116.5
381	I	37.2	Very low	36.6	Very low	117 Å²	117	129.1 Å²	129.1	60%	0.6	74%	0.741	S	S	*	*				39.2	113.6	121.5	-42.1	168.5	0	0	0	119.7
382	S	39.9	Very low	36.9	Very low	104 Å²	104	132.2 Å²	132.2	73%	0.727	74%	0.743	S	S	*	*				-172.4	126.3	93.6	-71.3	0	0	0	0	111
383	R	38.4	Very low	37	Very low	232 Å²	232	131.9 Å²	131.9	88%	0.875	74%	0.741	S	S	*	*				58.4	129.4	91	-65.6	179.4	176.2	141.9	-1.7	115.2
384	G	35.5	Very low	36.9	Very low	75 Å²	75	130 Å²	130	77%	0.773	74%	0.739	S	S	*	*			cis	-163.8	-174.7	3.5	0	0	0	0	0	114.4
385	P	43.2	Very low	36.8	Very low	126 Å²	126	130.2 Å²	130.2	82%	0.818	74%	0.74	S	S	*	*			trans	-125.2	-161	-160.1	44.4	-30.8	0	0	0	115.7
386	S	35.3	Very low	36.7	Very low	97 Å²	97	129.6 Å²	129.6	68%	0.678	74%	0.741	S	S	*	*			trans	87	152.1	161.8	98.7	0	0	0	0	117.2
387	D	37.9	Very low	36.4	Very low	133 Å²	133	130.7 Å²	130.7	71%	0.711	75%	0.749	S	S	*	*			cis	-150.4	165.3	12	-97	-50.4	0	0	0	114.7
388	E	35.2	Very low	36	Very low	166 Å²	166	128.5 Å²	128.5	78%	0.776	75%	0.748	S	S	*	*			trans	41.1	161	144.2	-69.8	-150.4	72.6	0	0	125.6
389	S	37.7	Very low	35.5	Very low	79 Å²	79	128.7 Å²	128.7	55%	0.552	75%	0.749	S	S	*	*			cis	-169.9	158.9	-29.5	60.5	0	0	0	0	112.4
390	S	37.2	Very low	35.3	Very low	95 Å²	95	132.9 Å²	132.9	66%	0.664	76%	0.757	S	S	*	*			trans	65.3	153.7	169.6	73.4	0	0	0	0	118.2
391	F	34	Very low	34.7	Very low	196 Å²	196	133.5 Å²	133.5	86%	0.86	76%	0.764	S	S	*	*			cis	-134.5	179	17	-91.7	-89.4	0	0	0	114.6
392	H	40.6	Very low	34.4	Very low	179 Å²	179	130.8 Å²	130.8	83%	0.829	77%	0.765	S	S	*	*			trans	-102.9	-175.4	-169.3	-86.5	-81.9	0	0	0	114
393	P	36.5	Very low	33.7	Very low	98 Å²	98	135.6 Å²	135.6	64%	0.636	77%	0.773	S	S	*	*			cis	-144.6	-163.8	-37.5	40.1	-20.7	0	0	0	115.3
394	L	32	Very low	33.1	Very low	161 Å²	161	129.5 Å²	129.5	84%	0.843	77%	0.765	S	S	*	*			trans	73	140.5	166.6	-91	79.5	0	0	0	117.7
395	S	31.4	Very low	32.8	Very low	102 Å²	102	130 Å²	130	71%	0.713	76%	0.757	S	S	*	*			cis	-158.3	146.9	-10.1	57.2	0	0	0	0	112.1
396	S	31.3	Very low	32.2	Very low	115 Å²	115	131.2 Å²	131.2	80%	0.804	75%	0.752	S	S	*	*			trans	179.5	151.5	151.2	40.2	0	0	0	0	114.9
397	S	31.5	Very low	31.8	Very low	110 Å²	110	132.8 Å²	132.8	77%	0.769	75%	0.752	S	S	*	*			trans	82.3	131.1	156.7	80.5	0	0	0	0	121.8
398	T	27.6	Very low	31.6	Very low	137 Å²	137	134.9 Å²	134.9	84%	0.84	76%	0.758	S	S	*	*			trans	69.4	100.1	144.4	-45.7	0	0	0	0	121.1
399	S	27.5	Very low	31.3	Very low	106 Å²	106	134.2 Å²	134.2	74%	0.741	76%	0.759	S	S	*	*			trans	-161.5	136.9	131.5	56.8	0	0	0	0	111.8
400	Q	33.4	Very low	30.9	Very low	194 Å²	194	135.9 Å²	135.9	91%	0.907	77%	0.771	S	S	*	*			trans	166.6	121	139.7	-93.5	175.5	20.7	0	0	111.4
401	I	26.4	Very low	30.7	Very low	182 Å²	182	135.8 Å²	135.8	93%	0.933	78%	0.776	S	S	*	*			trans	-140	139.6	162.9	-64.3	177.4	0	0	0	105.3
402	G	29.6	Very low	30.5	Very low	60 Å²	60	137.7 Å²	137.7	62%	0.619	78%	0.777	S	S	*	*			trans	-176.3	141.2	171.8	0	0	0	0	0	115.4
403	F	24.8	Very low	30.1	Very low	205 Å²	205	138.1 Å²	138.1	90%	0.899	78%	0.776	S	S	*	*			trans	55.4	150.6	153.7	-72.6	-93.4	0	0	0	118.9
404	C	27.6	Very low	29.7	Very low	104 Å²	104	138.2 Å²	138.2	70%	0.703	78%	0.779	S	S	*	*			cis	-144.8	162.9	21	-125.3	0	0	0	0	112.9
405	S	28.5	Very low	29.6	Very low	85 Å²	85	136 Å²	136	59%	0.594	78%	0.776	S	S	*	*				27.5	150.4	122.2	-83.3	0	0	0	0	121.7
406	E	29.7	Very low	29.4	Very low	152 Å²	152	139 Å²	139	71%	0.71	78%	0.779	S	S	*	*			cis	-168.3	155.7	5	-130.1	169	96.5	0	0	116.5
407	N	27.3	Very low	29.4	Very low	129 Å²	129	138.8 Å²	138.8	69%	0.69	77%	0.773	S	S	*	*			trans	60.4	147	137.3	-93	-32.8	0	0	0	126.3
408	Q	34.8	Very low	29.4	Very low	178 Å²	178	140.4 Å²	140.4	83%	0.832	77%	0.773	S	S	*	*			trans	76.2	157.9	161.6	-38.5	-158.9	47.3	0	0	121.6
409	L	27	Very low	29.5	Very low	151 Å²	151	140.3 Å²	140.3	79%	0.791	77%	0.772	S	S	*	*				-177.2	150.1	-51.7	-172.5	66.2	0	0	0	108.8
410	S	30.1	Very low	29.8	Very low	115 Å²	115	140.2 Å²	140.2	80%	0.804	77%	0.769	S	S	*	*			trans	71.7	154.8	170.1	86.6	0	0	0	0	115.7
411	A	33.7	Very low	29.5	Very low	93 Å²	93	136.3 Å²	136.3	77%	0.769	76%	0.758	S	S	*	*			cis	-161	170.7	4.4	0	0	0	0	0	109
412	R	29.5	Very low	29.6	Very low	235 Å²	235	133.2 Å²	133.2	89%	0.887	75%	0.748	S	S	*	*			cis	-174.2	153.2	-27.4	176.5	178.2	179.1	-165.1	0.4	108.1
413	K	31.5	Very low	29.7	Very low	189 Å²	189	139.3 Å²	139.3	82%	0.822	76%	0.757	S	S	*	*			trans	86.8	124.7	-178.2	-59	-179	174.4	-178	0	115.3
414	S	28.2	Very low	29.7	Very low	99 Å²	99	136.8 Å²	136.8	69%	0.692	75%	0.753	S	S	*	*			cis	92.5	100.5	4.5	91	0	0	0	0	119.9
415	C	30.2	Very low	29.8	Very low	115 Å²	115	137.8 Å²	137.8	78%	0.777	76%	0.761	S	S	*	*			trans	178	138.2	134.1	-82.8	0	0	0	0	105.8
416	E	28.1	Very low	29.9	Very low	165 Å²	165	137.2 Å²	137.2	77%	0.771	77%	0.769	S	S	*	*			cis	73.9	132.1	37	-60	175.5	119.4	0	0	112.1
417	T	30.9	Very low	29.7	Very low	110 Å²	110	138.1 Å²	138.1	68%	0.675	77%	0.771	S	S	*	*			cis	-157.7	167.7	12.2	-9	0	0	0	0	114
418	D	30.6	Very low	30	Very low	144 Å²	144	137.9 Å²	137.9	77%	0.77	78%	0.776	S	S	*	*			trans	73.8	164.2	146	-61	-32.1	0	0	0	124.3
419	V	29.8	Very low	29.8	Very low	135 Å²	135	135.9 Å²	135.9	82%	0.818	77%	0.771	S	S	*	*			trans	-172	151.5	-145.6	143.9	0	0	0	0	105.8
420	P	33.4	Very low	29.9	Very low	105 Å²	105	138.3 Å²	138.3	68%	0.682	77%	0.77	S	S	*	*			cis	-145.6	-156.9	32.9	33.8	-7.7	0	0	0	116.6
421	T	28.7	Very low	29.8	Very low	111 Å²	111	140 Å²	140	68%	0.681	77%	0.765	S	S	*	*			trans	92.3	100	139.4	31.7	0	0	0	0	124
422	T	27.5	Very low	29.6	Very low	117 Å²	117	143 Å²	143	72%	0.718	77%	0.767	S	S	*	*				76.1	133.6	125.6	51.8	0	0	0	0	125.1
423	K	31.1	Very low	29.4	Very low	188 Å²	188	138.7 Å²	138.7	82%	0.817	77%	0.767	S	S	*	*			trans	80.8	110.9	143.9	-75.4	171.3	-180	177.6	0	120.5
424	N	26.5	Very low	29.4	Very low	152 Å²	152	133.2 Å²	133.2	81%	0.813	76%	0.756	S	S	*	*			trans	39.9	110.5	136.4	-56.8	14.3	0	0	0	119.6
425	S	29.7	Very low	29.3	Very low	125 Å²	125	135.6 Å²	135.6	87%	0.874	76%	0.761	S	S	*	*				165	165.3	98	52.4	0	0	0	0	112
426	G	29.7	Very low	29.1	Very low	73 Å²	73	135.2 Å²	135.2	75%	0.753	76%	0.76	S	S	*	*			trans	85.9	89.5	161.7	0	0	0	0	0	117.4
427	F	26	Very low	29.1	Very low	172 Å²	172	134.6 Å²	134.6	75%	0.754	76%	0.761	S	S	*	*			trans	-70.3	147.8	147.7	-111.7	-116.7	0	0	0	108.4	D429	F427-D429 HydrophobicContact CD1-CB 4.33Å; F427-D429 HydrophobicContact CE1-CB 3.9Å; F427-D429 VanDerWaalsContact CE1-CG 3.47Å; F427-D429 WeakPolarHBondContact CE1-OD2 3.22Å; F427-D429 WeakPolarHBondContact CZ-OD2 3.22Å
428	P	33.7	Very low	28.9	Very low	123 Å²	123	136.4 Å²	136.4	80%	0.799	77%	0.766	S	S	*	*				-139.6	134.6	73	35.7	-19.5	0	0	0	115.5
429	D	30.2	Very low	28.7	Very low	136 Å²	136	135.2 Å²	135.2	73%	0.727	77%	0.766	S	S	*	*			trans	-67.7	134	169.2	-84.6	-23.2	0	0	0	111.8	F427	F427-D429 HydrophobicContact CD1-CB 4.33Å; F427-D429 HydrophobicContact CE1-CB 3.9Å; F427-D429 VanDerWaalsContact CE1-CG 3.47Å; F427-D429 WeakPolarHBondContact CE1-OD2 3.22Å; F427-D429 WeakPolarHBondContact CZ-OD2 3.22Å
430	R	28.4	Very low	28.8	Very low	203 Å²	203	135.9 Å²	135.9	77%	0.766	77%	0.77	S	S	*	*			trans	-140.9	119.7	167.9	-174.7	177	177.3	175.5	1.6	111.2
431	E	27.7	Very low	28.5	Very low	151 Å²	151	136.5 Å²	136.5	71%	0.706	77%	0.768	S	S	*	*			trans	41.3	82.2	154.6	-58	177.7	115.9	0	0	117.3
432	I	30.2	Very low	28.5	Very low	156 Å²	156	139.5 Å²	139.5	80%	0.8	77%	0.772	S	S	*	*			trans	-107.8	107.1	157.6	-61.4	177.7	0	0	0	108.7	A434	I432-A434 HydrophobicContact CG2-CB 4.05Å
433	T	25.7	Very low	28.4	Very low	144 Å²	144	141.9 Å²	141.9	88%	0.883	77%	0.772	S	S	*	*			trans	-88.9	101.2	168.8	50.6	0	0	0	0	109.6
434	A	30.2	Very low	28.2	Very low	73 Å²	73	139.9 Å²	139.9	60%	0.603	77%	0.769	S	S	*	*			trans	-141.7	125.9	178	0	0	0	0	0	113	I432	I432-A434 HydrophobicContact CG2-CB 4.05Å
435	D	26.1	Very low	28.5	Very low	150 Å²	150	135.5 Å²	135.5	80%	0.802	75%	0.751	S	S	*	*			trans	42.6	120.4	143.4	-59.9	-20.7	0	0	0	122.8
436	S	26.7	Very low	28.7	Very low	107 Å²	107	133.9 Å²	133.9	75%	0.748	74%	0.739	S	S	*	*			trans	89.4	160.6	131.2	82.2	0	0	0	0	121
437	L	29	Very low	29	Very low	151 Å²	151	135.6 Å²	135.6	79%	0.791	73%	0.731	S	S	*	*			trans	80.4	129.4	164.8	-62.8	169.2	0	0	0	120.3
438	L	26.5	Very low	29.5	Very low	149 Å²	149	133.6 Å²	133.6	78%	0.78	72%	0.724	S	S	*	*			trans	65.6	129.7	162.7	-93.3	65	0	0	0	119.6
439	P	26.8	Very low	29.7	Very low	119 Å²	119	132.3 Å²	132.3	77%	0.773	72%	0.718	S	S	*	*			trans	-68.1	137.7	166.8	30.5	-33.8	0	0	0	110.4	N441	P439-N441 PolarHBondContact O-N 3.02Å
440	T	30.8	Very low	30.1	Very low	148 Å²	148	131.3 Å²	131.3	91%	0.908	71%	0.705	S	S	*	*			trans	-67.1	95.1	-172.4	41.1	0	0	0	0	113.3	K442	T440-K442 PolarHBondContact O-N 2.94Å
441	N	26.7	Very low	30.6	Very low	118 Å²	118	128.9 Å²	128.9	63%	0.631	70%	0.7	S	S	*	*			trans	-62.6	117.3	169.7	-176.6	-4.6	0	0	0	111.4	P439	P439-N441 PolarHBondContact O-N 3.02Å
442	K	28.2	Very low	30.9	Very low	174 Å²	174	125.9 Å²	125.9	76%	0.757	70%	0.696	S	S	*	*			trans	172.3	129	137.6	-93.8	152.5	-173.7	174.5	0	114.7	T440 I444	T440-K442 PolarHBondContact O-N 2.94Å; K442-I444 PolarHBondContact O-N 3.41Å
443	F	25.8	Very low	31.1	Very low	167 Å²	167	120 Å²	120	73%	0.732	67%	0.67	S	S	*	*			trans	40.8	66.6	137.3	-72.5	-97.6	0	0	0	120.1	S445	F443-S445 PolarHBondContact O-N 3.32Å
444	I	28	Very low	31.6	Very low	147 Å²	147	115.9 Å²	115.9	75%	0.754	64%	0.642	S	S	*	*			trans	-73	114.7	145.9	-64.4	179.3	0	0	0	107.4	K442	K442-I444 PolarHBondContact O-N 3.41Å
445	S	31.4	Very low	32.1	Very low	60 Å²	60	115.9 Å²	115.9	42%	0.42	63%	0.634	S	S	.	*			trans	-70.2	147.2	-175.8	81.8	0	0	0	0	111.7	F443 N447	F443-S445 PolarHBondContact O-N 3.32Å; S445-N447 PolarHBondContact O-N 3.38Å
446	S	35.2	Very low	32.6	Very low	91 Å²	91	112.1 Å²	112.1	64%	0.636	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75	35.4	180	65.4	0	0	0	0	114.2
447	N	35.3	Very low	33.1	Very low	109 Å²	109	110.5 Å²	110.5	58%	0.583	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-124.8	-7.3	-175.1	-70	-22	0	0	0	114	S445 Y450	S445-N447 PolarHBondContact O-N 3.38Å; N447-Y450 WeakPolarHBondContact O-CD2 3.34Å
448	E	36.1	Very low	33.7	Very low	130 Å²	130	107.9 Å²	107.9	61%	0.607	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.4	-25.7	-176.2	-62.4	-166.6	134.6	0	0	113.8	Y450 F451	E448-Y450 PolarHBondContact O-N 3.32Å; E448-Y450 VanDerWaalsContact O-N 3.08Å; E448-F451 PolarHBondContact O-N 2.85Å
449	S	38.3	Very low	34.4	Very low	95 Å²	95	109.8 Å²	109.8	66%	0.664	58%	0.584	S	S	*	*	H	α-helix	trans	-63.7	-15.9	179.4	54.8	0	0	0	0	114.5	F451	S449-F451 VanDerWaalsContact C-N 3.29Å; S449-F451 PolarHBondContact O-N 3.37Å
450	Y	38.9	Very low	35.1	Very low	115 Å²	115	109.1 Å²	109.1	45%	0.451	57%	0.574	S	S	.	*	H	α-helix	trans	-71.9	-21.2	173.7	-60.7	-92.1	0	0	0	112.8	Y279 N447 E448	Y279-Y450 HydrophobicContact CD2-CE1 4.46Å; Y279-Y450 AromaticContact CE2-CE1 3.81Å; Y279-Y450 HydrophobicContact CE2-CE1 3.81Å; Y279-Y450 AromaticContact CE2-CZ 3.81Å; Y279-Y450 WeakPolarHBondContact CE2-OH 3.18Å; Y279-Y450 PolarHBondContact OH-OH 3.04Å; N447-Y450 WeakPolarHBondContact O-CD2 3.34Å; E448-Y450 PolarHBondContact O-N 3.32Å; E448-Y450 VanDerWaalsContact O-N 3.08Å
451	F	38	Very low	35.7	Very low	152 Å²	152	106 Å²	106	67%	0.667	55%	0.551	S	S	*	*	H	α-helix	trans	-78.9	-39.7	-176.9	-127.9	-91.6	0	0	0	112.7	E448 S449 A453 M454 V455	E448-F451 PolarHBondContact O-N 2.85Å; S449-F451 VanDerWaalsContact C-N 3.29Å; S449-F451 PolarHBondContact O-N 3.37Å; F451-A453 VanDerWaalsContact C-N 3.31Å; F451-A453 PolarHBondContact O-N 3.38Å; F451-M454 PolarHBondContact O-N 2.99Å; F451-V455 HydrophobicContact CD1-CG2 4.23Å; F451-V455 PolarHBondContact O-N 2.85Å
452	S	35	Very low	36.4	Very low	89 Å²	89	105.7 Å²	105.7	62%	0.622	55%	0.55	S	S	*	.	H	α-helix	trans	-60.3	-39.4	-178.5	-176.7	0	0	0	0	112.6	M454 V455 S456	S452-M454 VanDerWaalsContact C-N 3.31Å; S452-M454 PolarHBondContact O-N 2.92Å; S452-V455 PolarHBondContact O-N 3.43Å; S452-S456 PolarHBondContact O-N 2.78Å; S452-S456 VanDerWaalsContact O-N 3.12Å; S452-S456 PolarHBondContact O-OG 3.39Å; S452-S456 VanDerWaalsContact O-OG 3.08Å
453	A	34.2	Very low	37.2	Very low	32 Å²	32	101.4 Å²	101.4	26%	0.264	54%	0.538	S	S	.	.	H	α-helix	trans	-71.9	-21.1	176.4	0	0	0	0	0	114	F451 S456 M457	F451-A453 VanDerWaalsContact C-N 3.31Å; F451-A453 PolarHBondContact O-N 3.38Å; A453-S456 WeakPolarHBondContact CA-OG 3.28Å; A453-S456 PolarHBondContact O-OG 2.94Å; A453-M457 WeakPolarHBondContact O-CG 3.48Å; A453-M457 PolarHBondContact O-N 3.2Å
454	M	37	Very low	38.2	Very low	57 Å²	57	95.1 Å²	95.1	28%	0.281	51%	0.511	S	S	.	.	H	α-helix	trans	-79.3	-42.6	170.9	-74.7	-176.8	55.8	0	0	111	F451 S452 S456 M457 D458 P573	F451-M454 PolarHBondContact O-N 2.99Å; S452-M454 VanDerWaalsContact C-N 3.31Å; S452-M454 PolarHBondContact O-N 2.92Å; M454-S456 VanDerWaalsContact C-N 3.26Å; M454-S456 PolarHBondContact O-N 3.25Å; M454-M457 WeakPolarHBondContact O-CA 3.26Å; M454-M457 WeakPolarHBondContact O-CB 3.36Å; M454-M457 PolarHBondContact O-N 2.84Å; M454-D458 PolarHBondContact O-N 2.92Å; M454-P573 HydrophobicContact CE-CB 4.42Å
455	V	39.3	Very low	39.1	Very low	74 Å²	74	91.9 Å²	91.9	45%	0.448	50%	0.495	S	S	.	.	H	α-helix	trans	-62.9	-31	177.7	174.2	0	0	0	0	112.4	F451 S452	F451-V455 HydrophobicContact CD1-CG2 4.23Å; F451-V455 PolarHBondContact O-N 2.85Å; S452-V455 PolarHBondContact O-N 3.43Å
456	S	37.6	Very low	39.8	Very low	70 Å²	70	95.9 Å²	95.9	49%	0.49	51%	0.507	S	S	.	.	H	α-helix	trans	-80.9	-17.6	172.1	52.7	0	0	0	0	114.4	S452 A453 M454	S452-S456 PolarHBondContact O-N 2.78Å; S452-S456 VanDerWaalsContact O-N 3.12Å; S452-S456 PolarHBondContact O-OG 3.39Å; S452-S456 VanDerWaalsContact O-OG 3.08Å; A453-S456 WeakPolarHBondContact CA-OG 3.28Å; A453-S456 PolarHBondContact O-OG 2.94Å; M454-S456 VanDerWaalsContact C-N 3.26Å; M454-S456 PolarHBondContact O-N 3.25Å
457	M	37.8	Very low	40.3	Very low	74 Å²	74	96.8 Å²	96.8	37%	0.365	50%	0.504	S	S	.	.	H	α-helix	trans	-79.3	-40.8	167	-80	-176.9	169.1	0	0	112.2	L272 A453 M454 R459 L460 L461	L272-M457 HydrophobicContact CD2-CE 3.74Å; A453-M457 WeakPolarHBondContact O-CG 3.48Å; A453-M457 PolarHBondContact O-N 3.2Å; M454-M457 WeakPolarHBondContact O-CA 3.26Å; M454-M457 WeakPolarHBondContact O-CB 3.36Å; M454-M457 PolarHBondContact O-N 2.84Å; M457-R459 PolarHBondContact O-N 3.33Å; M457-L460 PolarHBondContact O-N 3.3Å; M457-L461 WeakPolarHBondContact O-CG 3.19Å; M457-L461 PolarHBondContact O-N 2.9Å
458	D	40.7	Very low	40.8	Very low	95 Å²	95	93.8 Å²	93.8	51%	0.508	49%	0.488	S	S	.	.	H	α-helix	trans	-49.2	-56	174.4	-104.5	17.3	0	0	0	110.7	M454 L460 L461 D462	M454-D458 PolarHBondContact O-N 2.92Å; D458-L460 PolarHBondContact O-N 3.38Å; D458-L460 VanDerWaalsContact O-N 3.16Å; D458-L461 PolarHBondContact O-N 3.48Å; D458-D462 PolarHBondContact O-N 2.99Å
459	R	41.5	Very low	41.1	Very low	189 Å²	189	90.9 Å²	90.9	71%	0.713	49%	0.486	S	S	*	.	H	α-helix	trans	-64.6	-20.1	-180	-70.2	-171.8	173.5	-155.4	-2.7	114.7	M457 V463	M457-R459 PolarHBondContact O-N 3.33Å; R459-V463 WeakPolarHBondContact O-CG2 3.5Å
460	L	42	Very low	41.2	Very low	106 Å²	106	93.2 Å²	93.2	56%	0.555	49%	0.486	S	S	*	.	H	α-helix	trans	-88.5	-24.4	176	-119.6	165.3	0	0	0	111.8	M457 D458 H464	M457-L460 PolarHBondContact O-N 3.3Å; D458-L460 PolarHBondContact O-N 3.38Å; D458-L460 VanDerWaalsContact O-N 3.16Å; L460-H464 WeakPolarHBondContact O-CB 3.47Å; L460-H464 PolarHBondContact O-N 3.49Å
461	L	42.4	Very low	41.3	Very low	81 Å²	81	93.8 Å²	93.8	42%	0.424	50%	0.497	S	S	.	.	H	α-helix	trans	-78.2	-41.5	173.4	-69.9	167.3	0	0	0	111.3	M457 D458 V463 H464 D465	M457-L461 WeakPolarHBondContact O-CG 3.19Å; M457-L461 PolarHBondContact O-N 2.9Å; D458-L461 PolarHBondContact O-N 3.48Å; L461-V463 VanDerWaalsContact C-N 3.32Å; L461-V463 PolarHBondContact O-N 2.91Å; L461-H464 PolarHBondContact O-N 3.08Å; L461-D465 PolarHBondContact O-N 3.43Å
462	D	41.2	Very low	41.6	Very low	113 Å²	113	91.7 Å²	91.7	60%	0.604	50%	0.496	S	S	*	.	H	α-helix	trans	-52.4	-48.6	174.3	-80.1	-23.1	0	0	0	112.1	D458 H464 Q466	D458-D462 PolarHBondContact O-N 2.99Å; D462-H464 VanDerWaalsContact C-N 3.3Å; D462-H464 PolarHBondContact O-N 2.89Å; D462-Q466 WeakPolarHBondContact O-CG 3.33Å; D462-Q466 PolarHBondContact O-N 3.36Å
463	V	45.8	Very low	41.9	Very low	83 Å²	83	91.3 Å²	91.3	50%	0.503	50%	0.499	S	S	.	.	H	α-helix	trans	-65.7	-33.1	179	175	0	0	0	0	111.9	R459 L461 L467	R459-V463 WeakPolarHBondContact O-CG2 3.5Å; L461-V463 VanDerWaalsContact C-N 3.32Å; L461-V463 PolarHBondContact O-N 2.91Å; V463-L467 HydrophobicContact CG1-CD1 4.48Å; V463-L467 WeakPolarHBondContact O-CG 3.28Å; V463-L467 PolarHBondContact O-N 2.98Å
464	H	46.2	Very low	42.2	Very low	35 Å²	35	96.2 Å²	96.2	16%	0.162	52%	0.521	C	S	.	.	H	α-helix	trans	-83	-35	-175.1	-177.3	-80.7	0	0	0	113.1	L460 L461 D462 L467 I468 R584	L460-H464 WeakPolarHBondContact O-CB 3.47Å; L460-H464 PolarHBondContact O-N 3.49Å; L461-H464 PolarHBondContact O-N 3.08Å; D462-H464 VanDerWaalsContact C-N 3.3Å; D462-H464 PolarHBondContact O-N 2.89Å; H464-L467 PolarHBondContact O-N 2.86Å; H464-I468 WeakPolarHBondContact CE1-CD1 3.46Å; H464-I468 PolarHBondContact O-N 3.11Å; H464-I468 VanDerWaalsContact O-N 3.11Å; H464-R584 PolarHBondContact CE1-NH1 3.45Å
465	D	46.2	Very low	42.2	Very low	79 Å²	79	99.2 Å²	99.2	42%	0.422	54%	0.542	S	S	.	.	H	α-helix	trans	-78.3	-21.6	175.3	-81.9	-11.8	0	0	0	112.3	L461 A469 R584	L461-D465 PolarHBondContact O-N 3.43Å; D465-A469 WeakPolarHBondContact O-CB 3.39Å; D465-A469 PolarHBondContact O-N 2.84Å; D465-R584 IonicContact OD1-CZ 2.7Å; D465-R584 IonicContact OD1-NH1 3.63Å; D465-R584 IonicContact OD1-NH2 2.74Å; D465-R584 PolarHBondContact OD1-NH2 3.26Å
466	Q	47.6	Very low	41.9	Very low	144 Å²	144	107.2 Å²	107.2	67%	0.673	56%	0.564	S	S	*	*	H	α-helix	trans	-62	-50.8	163.5	-76.3	-176.9	-3.6	0	0	111.8	D462 I468 A469	D462-Q466 WeakPolarHBondContact O-CG 3.33Å; D462-Q466 PolarHBondContact O-N 3.36Å; Q466-I468 VanDerWaalsContact C-N 3.26Å; Q466-I468 PolarHBondContact O-N 2.93Å; Q466-A469 WeakPolarHBondContact O-CB 3.49Å; Q466-A469 PolarHBondContact O-N 3.38Å; Q466-A469 VanDerWaalsContact O-N 3.11Å
467	L	44.4	Very low	41.8	Very low	110 Å²	110	110.2 Å²	110.2	58%	0.576	58%	0.58	S	S	*	*	H	α-helix	trans	-63.5	-29.4	178.7	-71.9	167.1	0	0	0	113.2	V463 H464	V463-L467 HydrophobicContact CG1-CD1 4.48Å; V463-L467 WeakPolarHBondContact O-CG 3.28Å; V463-L467 PolarHBondContact O-N 2.98Å; H464-L467 PolarHBondContact O-N 2.86Å
468	I	46.6	Very low	41.5	Very low	47 Å²	47	118.4 Å²	118.4	24%	0.241	61%	0.606	C	S	.	*	H	α-helix	trans	-80.4	-24.5	175	-76.2	-173.8	0	0	0	112.8	H464 Q466 E470 D471 V472	H464-I468 WeakPolarHBondContact CE1-CD1 3.46Å; H464-I468 PolarHBondContact O-N 3.11Å; H464-I468 VanDerWaalsContact O-N 3.11Å; Q466-I468 VanDerWaalsContact C-N 3.26Å; Q466-I468 PolarHBondContact O-N 2.93Å; I468-E470 VanDerWaalsContact C-N 3.33Å; I468-E470 PolarHBondContact O-N 3.39Å; I468-D471 PolarHBondContact O-N 3.34Å; I468-V472 HydrophobicContact CG2-CG2 3.7Å; I468-V472 WeakPolarHBondContact O-CB 3.4Å; I468-V472 VanDerWaalsContact O-CG2 3.28Å; I468-V472 WeakPolarHBondContact O-CG2 3.3Å; I468-V472 PolarHBondContact O-N 3.13Å
469	A	42.3	Very low	41.2	Very low	69 Å²	69	118.3 Å²	118.3	57%	0.57	61%	0.611	S	S	*	*	H	α-helix	trans	-64.3	-37.4	176.1	0	0	0	0	0	112.3	D465 Q466	D465-A469 WeakPolarHBondContact O-CB 3.39Å; D465-A469 PolarHBondContact O-N 2.84Å; Q466-A469 WeakPolarHBondContact O-CB 3.49Å; Q466-A469 PolarHBondContact O-N 3.38Å; Q466-A469 VanDerWaalsContact O-N 3.11Å
470	E	40.7	Very low	40.6	Very low	143 Å²	143	118.9 Å²	118.9	67%	0.668	62%	0.619	S	S	*	*	H	α-helix	trans	-69.4	-44.8	174.5	-65.9	-171.2	112.4	0	0	112.1	I468 A473	I468-E470 VanDerWaalsContact C-N 3.33Å; I468-E470 PolarHBondContact O-N 3.39Å; E470-A473 WeakPolarHBondContact O-CB 3.19Å; E470-A473 PolarHBondContact O-N 2.7Å
471	D	40.5	Very low	40.4	Very low	127 Å²	127	117.7 Å²	117.7	68%	0.679	61%	0.613	S	S	*	*	H	α-helix	trans	-71.3	-35	-174.2	-145.4	29.2	0	0	0	112.4	I468 A473	I468-D471 PolarHBondContact O-N 3.34Å; D471-A473 VanDerWaalsContact C-N 3.32Å; D471-A473 PolarHBondContact O-N 2.92Å
472	V	43.9	Very low	40.3	Very low	108 Å²	108	120.2 Å²	120.2	66%	0.655	63%	0.631	S	S	*	*	H	α-helix	trans	-74.2	-19.4	179.5	171.7	0	0	0	0	113.1	I468 N474	I468-V472 HydrophobicContact CG2-CG2 3.7Å; I468-V472 WeakPolarHBondContact O-CB 3.4Å; I468-V472 VanDerWaalsContact O-CG2 3.28Å; I468-V472 WeakPolarHBondContact O-CG2 3.3Å; I468-V472 PolarHBondContact O-N 3.13Å; V472-N474 PolarHBondContact O-N 3.34Å
473	A	41.4	Very low	40.5	Very low	82 Å²	82	118.4 Å²	118.4	68%	0.678	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.4	-24	178	0	0	0	0	0	113.5	E470 D471	E470-A473 WeakPolarHBondContact O-CB 3.19Å; E470-A473 PolarHBondContact O-N 2.7Å; D471-A473 VanDerWaalsContact C-N 3.32Å; D471-A473 PolarHBondContact O-N 2.92Å
474	N	40.2	Very low	40.6	Very low	135 Å²	135	118.1 Å²	118.1	72%	0.722	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.2	-6.6	-163.7	-77.7	-48.5	0	0	0	116.7	V472	V472-N474 PolarHBondContact O-N 3.34Å
475	V	37.9	Very low	40.7	Very low	119 Å²	119	120.2 Å²	120.2	72%	0.721	65%	0.645	S	S	*	*			trans	-129.6	95.5	-173.3	-170.2	0	0	0	0	114.3
476	R	33.3	Very low	40.7	Very low	242 Å²	242	125.4 Å²	125.4	91%	0.913	66%	0.664	S	S	*	*			trans	-88.6	108.1	165	-79.7	-174.5	169.7	105.5	-5.9	111.6
477	T	35.8	Very low	40.7	Very low	134 Å²	134	123.9 Å²	123.9	82%	0.822	66%	0.655	S	S	*	*			trans	-178.2	146.6	141.7	19.1	0	0	0	0	111.5
478	R	30.4	Very low	41	Very low	245 Å²	245	120.7 Å²	120.7	93%	0.925	64%	0.638	S	S	*	*			trans	-106	120.7	176.4	-79.6	-176.4	174.1	177.8	-1.4	111.9
479	P	34.3	Very low	41.4	Very low	93 Å²	93	121.1 Å²	121.1	60%	0.604	65%	0.648	S	S	*	*			trans	-85.4	141.6	160.2	32.4	-30	0	0	0	111.3	N481 L594	P479-N481 PolarHBondContact O-N 3.02Å; P479-L594 HydrophobicContact CB-CD2 4.16Å; P479-L594 HydrophobicContact CG-CD2 4.28Å
480	K	30.5	Very low	42.1	Very low	202 Å²	202	124.4 Å²	124.4	88%	0.878	65%	0.654	S	S	*	*			trans	-91.7	92.5	176.3	-67.6	175.4	-178.9	173.2	0	110.6
481	N	36.9	Very low	42.5	Very low	80 Å²	80	120 Å²	120	43%	0.428	64%	0.635	S	S	.	*			trans	-149.1	102.8	161	-98	-15.9	0	0	0	107.5	P479 N590	P479-N481 PolarHBondContact O-N 3.02Å; N481-N590 PolarHBondContact O-ND2 3.41Å
482	V	40.9	Very low	43.2	Very low	134 Å²	134	115 Å²	115	81%	0.812	61%	0.607	S	S	*	*			trans	-112.6	116.1	-172.2	179.9	0	0	0	0	109.8
483	L	45.2	Very low	43.9	Very low	76 Å²	76	112.7 Å²	112.7	40%	0.398	60%	0.599	S	S	.	*			trans	-58.9	130.2	174.2	-160.3	72	0	0	0	109.4	A485 F487 L586	L483-A485 PolarHBondContact O-N 2.85Å; L483-F487 HydrophobicContact CD2-CD1 3.72Å; L483-F487 HydrophobicContact CD2-CE1 4.03Å; L483-F487 HydrophobicContact CG-CD1 4.21Å; L483-L586 HydrophobicContact CD2-CD2 4.02Å
484	P	48.2	Very low	44.5	Very low	76 Å²	76	112.4 Å²	112.4	49%	0.494	58%	0.584	S	S	.	*			trans	-56	125.6	-169.9	-29	35.4	0	0	0	113	K486 F487 L488	P484-K486 PolarHBondContact O-N 2.91Å; P484-F487 WeakPolarHBondContact O-CB 3.21Å; P484-F487 PolarHBondContact O-N 3.45Å; P484-L488 PolarHBondContact O-N 2.89Å
485	A	46.8	Very low	44.9	Very low	80 Å²	80	106.5 Å²	106.5	66%	0.661	55%	0.552	S	S	*	*	H	α-helix	trans	-54.6	-29.3	-173.4	0	0	0	0	0	114	L483 L488 A489	L483-A485 PolarHBondContact O-N 2.85Å; A485-L488 PolarHBondContact O-N 3.39Å; A485-A489 WeakPolarHBondContact O-CB 3.3Å; A485-A489 PolarHBondContact O-N 3.41Å
486	K	46.9	Very low	45.9	Very low	188 Å²	188	102.6 Å²	102.6	82%	0.817	53%	0.527	S	S	*	.	H	α-helix	trans	-63.1	-36.8	173.2	-67.5	-173.2	177	-176.8	0	113.4	P484 M490	P484-K486 PolarHBondContact O-N 2.91Å; K486-M490 WeakPolarHBondContact O-CB 3.4Å; K486-M490 PolarHBondContact O-N 3.05Å; K486-M490 VanDerWaalsContact O-N 3.15Å
487	F	47.5	Very low	47.1	Very low	111 Å²	111	97.8 Å²	97.8	49%	0.487	51%	0.509	S	S	.	.	H	α-helix	trans	-72.3	-43.1	174.8	-179.8	-93.1	0	0	0	110.8	L483 P484 A489 M490 L491	L483-F487 HydrophobicContact CD2-CD1 3.72Å; L483-F487 HydrophobicContact CD2-CE1 4.03Å; L483-F487 HydrophobicContact CG-CD1 4.21Å; P484-F487 WeakPolarHBondContact O-CB 3.21Å; P484-F487 PolarHBondContact O-N 3.45Å; F487-A489 PolarHBondContact O-N 3.27Å; F487-M490 PolarHBondContact O-N 2.97Å; F487-M490 VanDerWaalsContact O-N 3.16Å; F487-L491 WeakPolarHBondContact O-CB 3.5Å; F487-L491 PolarHBondContact O-N 3.39Å
488	L	51.7	Low	47.8	Very low	44 Å²	44	95.7 Å²	95.7	23%	0.23	49%	0.49	C	S	.	.	H	α-helix	trans	-60.6	-45.8	178	-165	149.4	0	0	0	111.3	P484 A485 M490 L491 E492 L586	P484-L488 PolarHBondContact O-N 2.89Å; A485-L488 PolarHBondContact O-N 3.39Å; L488-M490 VanDerWaalsContact C-N 3.34Å; L488-M490 PolarHBondContact O-N 3.41Å; L488-L491 PolarHBondContact O-N 2.97Å; L488-E492 VanDerWaalsContact O-CB 3.26Å; L488-E492 WeakPolarHBondContact O-CB 3.31Å; L488-E492 PolarHBondContact O-N 3.49Å; L488-L586 HydrophobicContact CD1-CD1 3.65Å; L488-L586 HydrophobicContact CG-CD1 3.66Å
489	A	54.5	Low	48.8	Very low	55 Å²	55	87.7 Å²	87.7	46%	0.455	46%	0.462	S	S	.	.	H	α-helix	trans	-64.6	-33.1	174.6	0	0	0	0	0	113.5	A485 F487 A493	A485-A489 WeakPolarHBondContact O-CB 3.3Å; A485-A489 PolarHBondContact O-N 3.41Å; F487-A489 PolarHBondContact O-N 3.27Å; A489-A493 VanDerWaalsContact O-CB 3.29Å; A489-A493 WeakPolarHBondContact O-CB 3.37Å; A489-A493 PolarHBondContact O-N 3.04Å
490	M	56.3	Low	49.9	Very low	139 Å²	139	93 Å²	93	69%	0.685	47%	0.47	S	S	*	.	H	α-helix	trans	-71.6	-41.4	176.4	-172.9	172.9	-71.1	0	0	111.8	K486 F487 L488 A493 E494	K486-M490 WeakPolarHBondContact O-CB 3.4Å; K486-M490 PolarHBondContact O-N 3.05Å; K486-M490 VanDerWaalsContact O-N 3.15Å; F487-M490 PolarHBondContact O-N 2.97Å; F487-M490 VanDerWaalsContact O-N 3.16Å; L488-M490 VanDerWaalsContact C-N 3.34Å; L488-M490 PolarHBondContact O-N 3.41Å; M490-A493 PolarHBondContact O-N 2.93Å; M490-E494 PolarHBondContact O-N 3.2Å
491	L	49.5	Very low	50.9	Low	51 Å²	51	85.4 Å²	85.4	27%	0.267	44%	0.438	S	S	.	.	H	α-helix	trans	-65.1	-43	173.7	-166.4	78.4	0	0	0	111.3	F487 L488 E494 L495 I582 L586	F487-L491 WeakPolarHBondContact O-CB 3.5Å; F487-L491 PolarHBondContact O-N 3.39Å; L488-L491 PolarHBondContact O-N 2.97Å; L491-E494 PolarHBondContact O-N 3.31Å; L491-L495 HydrophobicContact CG-CD1 4.1Å; L491-L495 WeakPolarHBondContact O-CB 3.46Å; L491-L495 VanDerWaalsContact O-CG 3.32Å; L491-L495 WeakPolarHBondContact O-CG 3.48Å; L491-L495 PolarHBondContact O-N 2.95Å; L491-I582 HydrophobicContact CD2-CG2 4.41Å; L491-L586 HydrophobicContact CD2-CD1 4.11Å; L491-L586 HydrophobicContact CD2-CD2 3.97Å; L491-L586 HydrophobicContact CD2-CG 4.4Å
492	E	54.1	Low	51.2	Low	21 Å²	21	84.3 Å²	84.3	10%	0.098	44%	0.436	C	S	.	.	H	α-helix	trans	-60.4	-45	175.5	-170.9	-176.5	123.5	0	0	111.5	L488 L495 L496 R579	L488-E492 VanDerWaalsContact O-CB 3.26Å; L488-E492 WeakPolarHBondContact O-CB 3.31Å; L488-E492 PolarHBondContact O-N 3.49Å; E492-L495 PolarHBondContact O-N 3.18Å; E492-L496 HydrophobicContact CG-CD1 4.07Å; E492-L496 WeakPolarHBondContact O-CB 3.36Å; E492-L496 VanDerWaalsContact O-CG 3.28Å; E492-L496 WeakPolarHBondContact O-CG 3.49Å; E492-L496 PolarHBondContact O-N 2.85Å; E492-R579 HydrophobicContact CG-CG 4.14Å; E492-R579 VanDerWaalsContact OE1-CD 3.3Å; E492-R579 WeakPolarHBondContact OE1-CD 3.36Å; E492-R579 IonicContact OE1-CZ 2.75Å; E492-R579 VanDerWaalsContact OE1-CZ 3.3Å; E492-R579 IonicContact OE1-NE 3.49Å; E492-R579 PolarHBondContact OE1-NE 2.9Å; E492-R579 IonicContact OE1-NH1 3.46Å; E492-R579 PolarHBondContact OE1-NH1 2.95Å
493	A	59.8	Low	51.2	Low	59 Å²	59	80.8 Å²	80.8	49%	0.488	41%	0.413	S	S	.	.	H	α-helix	trans	-63.4	-41.6	176.6	0	0	0	0	0	112.9	A489 M490 R497	A489-A493 VanDerWaalsContact O-CB 3.29Å; A489-A493 WeakPolarHBondContact O-CB 3.37Å; A489-A493 PolarHBondContact O-N 3.04Å; M490-A493 PolarHBondContact O-N 2.93Å; A493-R497 WeakPolarHBondContact O-CB 3.29Å; A493-R497 PolarHBondContact O-N 2.97Å
494	E	53.2	Low	51.1	Low	76 Å²	76	80.7 Å²	80.7	36%	0.355	41%	0.412	S	S	.	.	H	α-helix	trans	-71.6	-34.2	179.2	-169.1	60.1	-165.7	0	0	112.2	M490 L491 R497 H498	M490-E494 PolarHBondContact O-N 3.2Å; L491-E494 PolarHBondContact O-N 3.31Å; E494-R497 WeakPolarHBondContact O-CB 3.42Å; E494-R497 PolarHBondContact O-N 3.4Å; E494-R497 WeakPolarHBondContact OE2-CD 3.41Å; E494-H498 WeakPolarHBondContact O-CB 3.14Å; E494-H498 PolarHBondContact O-N 3.42Å
495	L	49.9	Very low	50.6	Low	12 Å²	12	81.4 Å²	81.4	6%	0.063	42%	0.419	C	S	.	.	H	α-helix	trans	-71.4	-42.2	173.6	-68.6	171.3	0	0	0	111.6	F98 L491 E492 R497 H498 F499 I582	F98-L495 HydrophobicContact CD1-CD2 3.95Å; F98-L495 HydrophobicContact CD2-CD2 3.96Å; F98-L495 HydrophobicContact CE1-CD2 3.63Å; F98-L495 HydrophobicContact CE2-CD1 4.01Å; F98-L495 HydrophobicContact CE2-CD2 3.64Å; F98-L495 HydrophobicContact CE2-CG 4.47Å; F98-L495 HydrophobicContact CG-CD2 4.11Å; F98-L495 HydrophobicContact CZ-CD1 4.22Å; F98-L495 HydrophobicContact CZ-CD2 3.47Å; F98-L495 VanDerWaalsContact CZ-CD2 3.47Å; L491-L495 HydrophobicContact CG-CD1 4.1Å; L491-L495 WeakPolarHBondContact O-CB 3.46Å; L491-L495 VanDerWaalsContact O-CG 3.32Å; L491-L495 WeakPolarHBondContact O-CG 3.48Å; L491-L495 PolarHBondContact O-N 2.95Å; E492-L495 PolarHBondContact O-N 3.18Å; L495-R497 VanDerWaalsContact C-N 3.27Å; L495-R497 PolarHBondContact O-N 3.38Å; L495-H498 WeakPolarHBondContact O-CB 3.38Å; L495-H498 PolarHBondContact O-N 3.17Å; L495-H498 VanDerWaalsContact O-N 3.11Å; L495-F499 VanDerWaalsContact O-CD2 3.22Å; L495-F499 WeakPolarHBondContact O-CD2 3.44Å; L495-F499 PolarHBondContact O-N 3.47Å; L495-I582 HydrophobicContact CB-CD1 3.87Å; L495-I582 HydrophobicContact CD1-CD1 3.48Å; L495-I582 VanDerWaalsContact CD1-CD1 3.48Å; L495-I582 HydrophobicContact CD1-CG1 3.69Å; L495-I582 HydrophobicContact CG-CD1 4.32Å
496	L	57.8	Low	50.2	Low	36 Å²	36	83.5 Å²	83.5	19%	0.188	41%	0.413	C	S	.	.	H	α-helix	trans	-59.7	-35.9	171	-75.5	167.2	0	0	0	112.4	E492 R500 K575 L578	E492-L496 HydrophobicContact CG-CD1 4.07Å; E492-L496 WeakPolarHBondContact O-CB 3.36Å; E492-L496 VanDerWaalsContact O-CG 3.28Å; E492-L496 WeakPolarHBondContact O-CG 3.49Å; E492-L496 PolarHBondContact O-N 2.85Å; L496-R500 PolarHBondContact O-N 3.04Å; L496-K575 HydrophobicContact CD2-CB 3.99Å; L496-K575 HydrophobicContact CD2-CD 4.01Å; L496-K575 HydrophobicContact CD2-CG 3.7Å; L496-L578 HydrophobicContact CD2-CD2 4.01Å; L496-L578 HydrophobicContact CG-CD2 4.38Å
497	R	59.4	Low	49.8	Very low	141 Å²	141	78.2 Å²	78.2	53%	0.532	39%	0.394	S	S	.	.	H	α-helix	trans	-63.1	-48	170.7	179.5	-160.9	-179.1	87.5	0.6	111.1	E91 A493 E494 L495 R500	E91-R497 IonicContact OE1-CZ 2.67Å; E91-R497 IonicContact OE1-NE 3.83Å; E91-R497 IonicContact OE1-NH2 2.67Å; E91-R497 PolarHBondContact OE1-NH2 3.43Å; A493-R497 WeakPolarHBondContact O-CB 3.29Å; A493-R497 PolarHBondContact O-N 2.97Å; E494-R497 WeakPolarHBondContact O-CB 3.42Å; E494-R497 PolarHBondContact O-N 3.4Å; E494-R497 WeakPolarHBondContact OE2-CD 3.41Å; L495-R497 VanDerWaalsContact C-N 3.27Å; L495-R497 PolarHBondContact O-N 3.38Å; R497-R500 WeakPolarHBondContact O-CG 3.35Å; R497-R500 PolarHBondContact O-N 2.73Å
498	H	50.3	Low	49.2	Very low	91 Å²	91	81.3 Å²	81.3	42%	0.421	41%	0.407	S	S	.	.	H	α-helix	trans	-60.4	-47.7	-178	-170	90.2	0	0	0	112.1	S95 E494 L495 R500	S95-H498 PolarHBondContact OG-CE1 2.81Å; S95-H498 PolarHBondContact OG-ND1 3.05Å; E494-H498 WeakPolarHBondContact O-CB 3.14Å; E494-H498 PolarHBondContact O-N 3.42Å; L495-H498 WeakPolarHBondContact O-CB 3.38Å; L495-H498 PolarHBondContact O-N 3.17Å; L495-H498 VanDerWaalsContact O-N 3.11Å; H498-R500 VanDerWaalsContact C-N 3.26Å; H498-R500 PolarHBondContact O-N 3.23Å
499	F	52	Low	48.3	Very low	77 Å²	77	83 Å²	83	34%	0.338	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-5.4	179.6	-70.1	-73.3	0	0	0	114.8	L495 L501 L578	L495-F499 VanDerWaalsContact O-CD2 3.22Å; L495-F499 WeakPolarHBondContact O-CD2 3.44Å; L495-F499 PolarHBondContact O-N 3.47Å; F499-L501 HydrophobicContact CB-CG 4.36Å; F499-L501 PolarHBondContact O-N 3.05Å; F499-L578 HydrophobicContact CB-CD2 4.5Å; F499-L578 HydrophobicContact CD2-CD1 3.98Å; F499-L578 HydrophobicContact CD2-CD2 3.58Å; F499-L578 HydrophobicContact CD2-CG 4.43Å; F499-L578 HydrophobicContact CE2-CD1 3.77Å; F499-L578 HydrophobicContact CE2-CD2 4.22Å; F499-L578 HydrophobicContact CG-CD2 4.31Å
500	R	57	Low	47.4	Very low	204 Å²	204	83.5 Å²	83.5	77%	0.77	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.1	30.4	173.8	-65.5	-174.4	176.2	170.9	2.3	115.6	L496 R497 H498	L496-R500 PolarHBondContact O-N 3.04Å; R497-R500 WeakPolarHBondContact O-CG 3.35Å; R497-R500 PolarHBondContact O-N 2.73Å; H498-R500 VanDerWaalsContact C-N 3.26Å; H498-R500 PolarHBondContact O-N 3.23Å
501	L	50.9	Low	46.4	Very low	42 Å²	42	87.2 Å²	87.2	22%	0.22	43%	0.429	C	S	.	.	P	Polyproline II helix	trans	-63.1	131.9	-179.4	-70.4	170.1	0	0	0	111	F499 P574 K575	F499-L501 HydrophobicContact CB-CG 4.36Å; F499-L501 PolarHBondContact O-N 3.05Å; L501-P574 HydrophobicContact CD1-CB 4.2Å; L501-P574 HydrophobicContact CD1-CG 4.43Å; L501-P574 HydrophobicContact CD2-CB 4.2Å; L501-P574 HydrophobicContact CD2-CG 4Å; L501-K575 HydrophobicContact CB-CD 4.48Å; L501-K575 VanDerWaalsContact CB-CE 3.49Å; L501-K575 HydrophobicContact CB-CG 4.08Å; L501-K575 HydrophobicContact CD1-CB 4.49Å; L501-K575 HydrophobicContact CD1-CG 3.62Å; L501-K575 HydrophobicContact CG-CG 4.5Å; L501-K575 PolarHBondContact O-NZ 2.86Å
502	P	43.2	Very low	45.6	Very low	58 Å²	58	89.4 Å²	89.4	38%	0.377	45%	0.447	S	S	.	.	P	Polyproline II helix	trans	-61.6	155.7	-170.1	23.7	-33.8	0	0	0	114	L507 K575	P502-L507 HydrophobicContact CB-CD1 4.33Å; P502-L507 HydrophobicContact CG-CD1 4.4Å; P502-K575 PolarHBondContact O-NZ 2.88Å
503	D	41.1	Very low	44.7	Very low	60 Å²	60	96.6 Å²	96.6	32%	0.321	48%	0.478	S	S	.	.	P	Polyproline II helix	trans	-73.1	129.1	172.4	-56.4	-41.6	0	0	0	109.9	S505 K506 K743	D503-S505 PolarHBondContact O-N 2.98Å; D503-K506 PolarHBondContact O-N 3.22Å; D503-K743 IonicContact OD2-NZ 3.87Å; D503-K743 PolarHBondContact OD2-NZ 3.2Å
504	N	42.5	Very low	43.6	Very low	73 Å²	73	102.2 Å²	102.2	39%	0.39	50%	0.495	S	S	.	.	H	α-helix	trans	-56.1	-27.1	176.4	-79.1	3.7	0	0	0	112.9	K506 L507 K570 F572	N504-K506 VanDerWaalsContact C-N 3.27Å; N504-K506 PolarHBondContact O-N 2.76Å; N504-L507 PolarHBondContact O-N 3.44Å; N504-K570 PolarHBondContact ND2-O 3.19Å; N504-F572 WeakPolarHBondContact OD1-CB 3.36Å; N504-F572 WeakPolarHBondContact OD1-CD2 3.47Å
505	S	37.9	Very low	42.6	Very low	91 Å²	91	106.7 Å²	106.7	64%	0.636	52%	0.515	S	S	*	.	H	α-helix	trans	-64.9	-24.6	174.8	56.5	0	0	0	0	114	D503	D503-S505 PolarHBondContact O-N 2.98Å
506	K	39.7	Very low	41.5	Very low	124 Å²	124	112.1 Å²	112.1	54%	0.539	55%	0.545	S	S	.	.	H	α-helix	trans	-77.9	-37.5	177.5	-79.1	-171.6	170.1	-172.5	0	113.3	D503 N504 K508 S509 S510	D503-K506 PolarHBondContact O-N 3.22Å; N504-K506 VanDerWaalsContact C-N 3.27Å; N504-K506 PolarHBondContact O-N 2.76Å; K506-K508 VanDerWaalsContact C-N 3.34Å; K506-K508 PolarHBondContact O-N 3.25Å; K506-S509 WeakPolarHBondContact O-CB 3.26Å; K506-S509 PolarHBondContact O-N 2.93Å; K506-S509 VanDerWaalsContact O-N 3.08Å; K506-S510 PolarHBondContact O-N 2.92Å; K506-S510 VanDerWaalsContact O-N 3.12Å; K506-S510 PolarHBondContact O-OG 3.45Å
507	L	38	Very low	40.2	Very low	78 Å²	78	116.3 Å²	116.3	41%	0.408	58%	0.577	S	S	.	*	H	α-helix	trans	-64.5	-37.7	-178	-90.1	75.7	0	0	0	112.4	P502 N504 S509 S510 R511 F572	P502-L507 HydrophobicContact CB-CD1 4.33Å; P502-L507 HydrophobicContact CG-CD1 4.4Å; N504-L507 PolarHBondContact O-N 3.44Å; L507-S509 VanDerWaalsContact C-N 3.32Å; L507-S509 PolarHBondContact O-N 3.34Å; L507-S510 PolarHBondContact O-N 2.99Å; L507-S510 PolarHBondContact O-OG 3.31Å; L507-R511 PolarHBondContact O-N 3.3Å; L507-F572 HydrophobicContact CD2-CE2 3.9Å; L507-F572 HydrophobicContact CD2-CZ 4.23Å
508	K	34.2	Very low	38.7	Very low	175 Å²	175	114 Å²	114	76%	0.761	58%	0.583	S	S	*	*	H	α-helix	trans	-64	-36.7	172.5	-72.1	-168	174	-173.3	0	112	K506 S510	K506-K508 VanDerWaalsContact C-N 3.34Å; K506-K508 PolarHBondContact O-N 3.25Å; K508-S510 VanDerWaalsContact C-N 3.34Å; K508-S510 PolarHBondContact O-N 3.27Å
509	S	33.1	Very low	37.6	Very low	81 Å²	81	117.6 Å²	117.6	57%	0.566	60%	0.604	S	S	*	*	H	α-helix	trans	-71.7	-21.3	177.5	-175.8	0	0	0	0	114.6	K506 L507	K506-S509 WeakPolarHBondContact O-CB 3.26Å; K506-S509 PolarHBondContact O-N 2.93Å; K506-S509 VanDerWaalsContact O-N 3.08Å; L507-S509 VanDerWaalsContact C-N 3.32Å; L507-S509 PolarHBondContact O-N 3.34Å
510	S	36.3	Very low	36.5	Very low	65 Å²	65	122 Å²	122	46%	0.455	63%	0.629	S	S	.	*	H	α-helix	trans	-88.5	-33.9	176.6	48	0	0	0	0	113.1	K506 L507 K508	K506-S510 PolarHBondContact O-N 2.92Å; K506-S510 VanDerWaalsContact O-N 3.12Å; K506-S510 PolarHBondContact O-OG 3.45Å; L507-S510 PolarHBondContact O-N 2.99Å; L507-S510 PolarHBondContact O-OG 3.31Å; K508-S510 VanDerWaalsContact C-N 3.34Å; K508-S510 PolarHBondContact O-N 3.27Å
511	R	35.5	Very low	35.2	Very low	217 Å²	217	120.4 Å²	120.4	82%	0.819	63%	0.63	S	S	*	*	H	α-helix	trans	-73.5	-33.1	-177.5	-169.9	169	-92.4	-173.9	-7	113	L507 K513	L507-R511 PolarHBondContact O-N 3.3Å; R511-K513 VanDerWaalsContact C-N 3.33Å; R511-K513 PolarHBondContact O-N 2.99Å
512	C	30.9	Very low	34.2	Very low	96 Å²	96	125.8 Å²	125.8	65%	0.649	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90	32.7	178.6	-62.4	0	0	0	0	114.6
513	K	35.6	Very low	33.6	Very low	173 Å²	173	128.9 Å²	128.9	75%	0.752	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-142.6	15.3	175.3	-74.9	-153.5	172.1	-153.2	0	115.2	R511	R511-K513 VanDerWaalsContact C-N 3.33Å; R511-K513 PolarHBondContact O-N 2.99Å
514	Q	36.9	Very low	32.9	Very low	177 Å²	177	132.1 Å²	132.1	83%	0.827	69%	0.694	S	S	*	*	S	Bend	trans	-122.7	15.7	177.4	-73.2	-172.1	-98.2	0	0	113.6
515	Q	31.9	Very low	32.2	Very low	169 Å²	169	135.5 Å²	135.5	79%	0.79	71%	0.712	S	S	*	*	S	Bend	trans	-137	-27.9	-178.3	-140.2	151	-5.2	0	0	113.8	S517	Q515-S517 PolarHBondContact O-N 3.2Å
516	D	28.5	Very low	31.8	Very low	127 Å²	127	135.6 Å²	135.6	68%	0.679	71%	0.713	S	S	*	*	S	Bend	trans	-94.7	70.1	179.4	-52.4	-65.1	0	0	0	113.2
517	S	28.9	Very low	31.4	Very low	123 Å²	123	138.7 Å²	138.7	86%	0.86	73%	0.729	S	S	*	*	S	Bend	trans	-157.3	36.4	168.3	-74.3	0	0	0	0	113.7	Q515	Q515-S517 PolarHBondContact O-N 3.2Å
518	S	28.8	Very low	31.1	Very low	94 Å²	94	138.4 Å²	138.4	66%	0.657	74%	0.737	S	S	*	*	S	Bend	trans	-157.9	125.3	166.5	54.4	0	0	0	0	110.2
519	L	27.2	Very low	30.9	Very low	166 Å²	166	140.5 Å²	140.5	87%	0.869	74%	0.74	S	S	*	*			trans	56.7	82.6	176.2	-67.7	81.4	0	0	0	115.9
520	I	27.5	Very low	30.8	Very low	169 Å²	169	143.2 Å²	143.2	87%	0.867	74%	0.744	S	S	*	*			trans	-128	93.6	135.8	-58.3	-178.4	0	0	0	107
521	E	29.9	Very low	30.6	Very low	170 Å²	170	145 Å²	145	79%	0.794	76%	0.757	S	S	*	*			trans	-147.9	142	164.9	-137.1	168.6	-145.9	0	0	109.2
522	H	30.7	Very low	30.4	Very low	156 Å²	156	139.6 Å²	139.6	72%	0.722	75%	0.748	S	S	*	*	S	Bend	trans	64.5	96.1	173.2	-67.6	-60.9	0	0	0	121.7
523	T	29.9	Very low	30.4	Very low	123 Å²	123	141.9 Å²	141.9	76%	0.755	75%	0.753	S	S	*	*				81.7	103.2	119.3	-46.5	0	0	0	0	119
524	V	28	Very low	30.1	Very low	127 Å²	127	139.7 Å²	139.7	77%	0.77	75%	0.749	S	S	*	*			trans	-77.6	127.6	157.7	172.2	0	0	0	0	110
525	N	27.1	Very low	30	Very low	145 Å²	145	137.6 Å²	137.6	78%	0.775	74%	0.742	S	S	*	*				-177.7	157	128	-105.2	-41.8	0	0	0	117.2
526	S	29.5	Very low	30.1	Very low	93 Å²	93	135.6 Å²	135.6	65%	0.65	74%	0.737	S	S	*	*			trans	69.8	120.4	150.7	65.1	0	0	0	0	122.4
527	H	32.1	Very low	30.2	Very low	189 Å²	189	134.8 Å²	134.8	88%	0.875	73%	0.733	S	S	*	*			trans	58.1	156.2	143.1	-62.4	-58.4	0	0	0	121.4
528	A	30.9	Very low	30.5	Very low	72 Å²	72	136.3 Å²	136.3	60%	0.595	73%	0.726	S	S	*	*			cis	-175.1	149.4	-32.5	0	0	0	0	0	109
529	R	29.4	Very low	30.7	Very low	218 Å²	218	137.2 Å²	137.2	82%	0.823	73%	0.732	S	S	*	*			trans	64.1	163	165.6	-74.7	172.1	147.3	132.4	1.8	114.6
530	E	30.7	Very low	31.4	Very low	138 Å²	138	135 Å²	135	65%	0.645	73%	0.728	S	S	*	*			cis	-152.8	163.6	-4.7	-132.4	145.6	-158	0	0	110.7
531	S	32	Very low	32.1	Very low	103 Å²	103	132 Å²	132	72%	0.72	72%	0.719	S	S	*	*			trans	69.3	154.2	144.1	-78	0	0	0	0	121.7
532	T	31.2	Very low	32.3	Very low	104 Å²	104	131.5 Å²	131.5	64%	0.638	72%	0.721	S	S	*	*			cis	-172.7	122.9	-14.7	-99.6	0	0	0	0	110.5
533	L	31.5	Very low	32.4	Very low	143 Å²	143	128.6 Å²	128.6	75%	0.749	72%	0.718	S	S	*	*			trans	66.3	159.9	148.4	-53	-179.1	0	0	0	119.6
534	L	30.3	Very low	32.6	Very low	127 Å²	127	127.5 Å²	127.5	67%	0.665	72%	0.715	S	S	*	*			cis	-168.8	166.7	-15.5	-107	172.5	0	0	0	111.8
535	I	34.1	Very low	33	Very low	134 Å²	134	127.8 Å²	127.8	69%	0.687	72%	0.717	S	S	*	*			trans	67.2	135.1	145.4	-75.4	163.3	0	0	0	117.9
536	N	33.6	Very low	33.5	Very low	126 Å²	126	126.5 Å²	126.5	67%	0.674	72%	0.717	S	S	*	*			cis	-163.3	-166.8	-5.5	-116.3	28.9	0	0	0	108.1
537	D	30	Very low	33.7	Very low	111 Å²	111	129.2 Å²	129.2	59%	0.594	72%	0.724	S	S	*	*			cis	-161.4	-179.6	6	-137.8	-39.2	0	0	0	113.9
538	Q	35.4	Very low	33.9	Very low	154 Å²	154	124.9 Å²	124.9	72%	0.72	71%	0.711	S	S	*	*			trans	61.9	74	143.3	-78.3	159	55.5	0	0	123.3
539	S	34.4	Very low	33.9	Very low	113 Å²	113	128.5 Å²	128.5	79%	0.79	72%	0.72	S	S	*	*				72.7	144.4	108.9	-58.8	0	0	0	0	125.9
540	P	42.2	Very low	33.9	Very low	119 Å²	119	126.9 Å²	126.9	77%	0.773	72%	0.719	S	S	*	*			trans	-115.4	-144.1	-178.8	39.9	-18	0	0	0	111.1
541	P	41.6	Very low	33.8	Very low	107 Å²	107	124.6 Å²	124.6	70%	0.695	72%	0.718	S	S	*	*			cis	-137.6	-134.8	-8.1	37	-11.4	0	0	0	114.5
542	I	33.5	Very low	33.5	Very low	160 Å²	160	125.4 Å²	125.4	82%	0.821	72%	0.719	S	S	*	*			trans	87.5	132.5	167.3	-58.1	166.9	0	0	0	115.2
543	S	33	Very low	33.4	Very low	95 Å²	95	128.2 Å²	128.2	66%	0.664	73%	0.729	S	S	*	*			cis	-153.9	164.4	10.2	44.9	0	0	0	0	115.3
544	S	34.7	Very low	33.3	Very low	99 Å²	99	128.7 Å²	128.7	69%	0.692	73%	0.727	S	S	*	*			trans	57.1	146	140.4	62.1	0	0	0	0	123.1
545	T	35.5	Very low	33.3	Very low	134 Å²	134	126.6 Å²	126.6	82%	0.822	72%	0.723	S	S	*	*			cis	-164	165	-14	19.5	0	0	0	0	110.1
546	P	38.7	Very low	32.9	Very low	118 Å²	118	124.8 Å²	124.8	77%	0.766	72%	0.722	S	S	*	*			trans	-113.5	173	-173.2	42.8	-34.5	0	0	0	115.8
547	D	33.7	Very low	32.9	Very low	149 Å²	149	127.3 Å²	127.3	80%	0.797	73%	0.73	S	S	*	*			trans	-175.1	177.2	140.8	-120.7	-30.4	0	0	0	109.9
548	T	34.8	Very low	32.9	Very low	98 Å²	98	127.5 Å²	127.5	60%	0.601	74%	0.74	S	S	*	*			cis	-153.9	143.3	0.4	5.6	0	0	0	0	109.8
549	L	32	Very low	32.6	Very low	148 Å²	148	125.2 Å²	125.2	78%	0.775	74%	0.741	S	S	*	*			trans	56.9	159.5	148.5	-56.7	173.7	0	0	0	120.6
550	F	29	Very low	32.5	Very low	184 Å²	184	124.3 Å²	124.3	81%	0.807	73%	0.734	S	S	*	*			cis	-137	157.1	-5.2	-146.9	-76.1	0	0	0	109.8
551	S	27.7	Very low	31.9	Very low	90 Å²	90	126.4 Å²	126.4	63%	0.629	74%	0.739	S	S	*	*			trans	-116	152	-169.1	50.3	0	0	0	0	116.3
552	T	25.7	Very low	31.4	Very low	120 Å²	120	126.7 Å²	126.7	74%	0.736	74%	0.744	S	S	*	*			trans	54.6	125	146.7	-51.3	0	0	0	0	121
553	L	29.5	Very low	31.3	Very low	163 Å²	163	124.3 Å²	124.3	85%	0.853	74%	0.741	S	S	*	*			trans	-153.2	139.1	141.1	-112.6	154.6	0	0	0	113.2
554	H	31	Very low	31.1	Very low	154 Å²	154	128.2 Å²	128.2	71%	0.713	75%	0.749	S	S	*	*			trans	-38.1	169.1	175.5	-72.7	-91.9	0	0	0	119
555	S	28.4	Very low	31.1	Very low	83 Å²	83	129.7 Å²	129.7	58%	0.58	75%	0.754	S	S	*	*			cis	165	140.3	-36.7	57.4	0	0	0	0	109.6
556	S	27.7	Very low	31.2	Very low	95 Å²	95	129.8 Å²	129.8	66%	0.664	75%	0.749	S	S	*	*			trans	67.3	155.9	158.6	59.2	0	0	0	0	121.3
557	H	31.8	Very low	31.4	Very low	179 Å²	179	130.4 Å²	130.4	83%	0.829	75%	0.746	S	S	*	*			trans	71.5	133.8	-178.6	-54.4	-81.7	0	0	0	116.1
558	S	30.5	Very low	31.8	Very low	116 Å²	116	127.6 Å²	127.6	81%	0.811	73%	0.728	S	S	*	*			cis	-150	176.4	-7.5	51.3	0	0	0	0	111.8
559	S	29.7	Very low	32.5	Very low	106 Å²	106	129.1 Å²	129.1	74%	0.741	73%	0.733	S	S	*	*			trans	-80.9	179	-162.7	57.9	0	0	0	0	117.3
560	S	32.6	Very low	33.3	Very low	93 Å²	93	129.1 Å²	129.1	65%	0.65	73%	0.726	S	S	*	*			trans	90.3	122.8	155.1	-0.9	0	0	0	0	118.4
561	D	29.8	Very low	34.2	Very low	163 Å²	163	122.2 Å²	122.2	87%	0.872	70%	0.697	S	S	*	*			trans	48.2	123.6	149.6	-46.3	-27.6	0	0	0	119.2
562	S	30.4	Very low	35.1	Very low	114 Å²	114	120.3 Å²	120.3	80%	0.797	68%	0.677	S	S	*	*			cis	-155.3	157.1	35.6	60.2	0	0	0	0	114.4
563	S	30.4	Very low	36.4	Very low	109 Å²	109	118 Å²	118	76%	0.762	66%	0.664	S	S	*	*			trans	-55.9	144.1	177	56.5	0	0	0	0	116.4
564	H	30	Very low	37.3	Very low	177 Å²	177	112 Å²	112	82%	0.819	64%	0.635	S	S	*	*				-175.7	31.7	122.9	-146.9	-65.7	0	0	0	117.1
565	T	34.5	Very low	38.2	Very low	131 Å²	131	106.2 Å²	106.2	80%	0.804	61%	0.608	S	S	*	*			trans	-145.4	78	-172.6	53.4	0	0	0	0	116.7
566	D	36.6	Very low	39.6	Very low	136 Å²	136	106.9 Å²	106.9	73%	0.727	60%	0.598	S	S	*	*			trans	-141.9	10.4	-178.8	-74.8	-75	0	0	0	117	K570	D566-K570 PolarHBondContact O-NZ 2.93Å
567	D	44	Very low	40.8	Very low	131 Å²	131	104.2 Å²	104.2	70%	0.701	58%	0.581	S	S	*	*	S	Bend	trans	-112.4	-11.6	-173.3	-94.8	-31.4	0	0	0	116.6	D569 K570	D567-D569 VanDerWaalsContact C-N 3.28Å; D567-D569 PolarHBondContact O-N 3.07Å; D567-K570 IonicContact OD1-NZ 3.76Å
568	E	42.8	Very low	41.9	Very low	90 Å²	90	96.8 Å²	96.8	42%	0.421	55%	0.548	S	S	.	.	G	3₁₀ helix	trans	-71.4	-17.5	179.4	-70.7	-152.8	148.2	0	0	113.8	R576 R583	E568-R576 PolarHBondContact O-NH1 3.21Å; E568-R583 IonicContact OE1-CZ 3.2Å; E568-R583 VanDerWaalsContact OE1-CZ 3.29Å; E568-R583 IonicContact OE1-NH1 3.69Å; E568-R583 PolarHBondContact OE1-NH1 3.46Å; E568-R583 IonicContact OE1-NH2 3.49Å; E568-R583 PolarHBondContact OE1-NH2 2.97Å; E568-R583 IonicContact OE2-NH1 3.35Å; E568-R583 PolarHBondContact OE2-NH1 3.39Å
569	D	48.1	Very low	43.2	Very low	130 Å²	130	94.2 Å²	94.2	70%	0.695	52%	0.52	S	S	*	.	G	3₁₀ helix	trans	-89.4	2.1	-179.5	-66.5	-44.5	0	0	0	114.8	D567 R576	D567-D569 VanDerWaalsContact C-N 3.28Å; D567-D569 PolarHBondContact O-N 3.07Å; D569-R576 IonicContact OD1-CZ 2.76Å; D569-R576 IonicContact OD1-NH1 2.75Å; D569-R576 PolarHBondContact OD1-NH1 3Å; D569-R576 IonicContact OD1-NH2 3.84Å; D569-R576 PolarHBondContact OD1-NH2 3.2Å
570	K	48.6	Very low	44.8	Very low	147 Å²	147	92.6 Å²	92.6	64%	0.639	50%	0.503	S	S	*	.	G	3₁₀ helix	trans	-106	7.3	173.9	-64.9	175.3	-165.8	104.9	0	113.3	N504 D566 D567	N504-K570 PolarHBondContact ND2-O 3.19Å; D566-K570 PolarHBondContact O-NZ 2.93Å; D567-K570 IonicContact OD1-NZ 3.76Å
571	E	49.4	Very low	46	Very low	40 Å²	40	89.6 Å²	89.6	19%	0.187	48%	0.483	C	S	.	.	S	Bend	trans	-81.8	147.8	-178.7	-179	152.5	-110.6	0	0	113.2	K575 R576 R579	E571-K575 VanDerWaalsContact CD-CB 3.44Å; E571-K575 HydrophobicContact CG-CB 3.65Å; E571-K575 WeakPolarHBondContact OE1-CB 2.99Å; E571-R576 HydrophobicContact CG-CB 4.35Å; E571-R576 WeakPolarHBondContact OE2-CA 3.42Å; E571-R576 PolarHBondContact OE2-N 2.89Å; E571-R579 IonicContact OE1-CZ 2.93Å; E571-R579 IonicContact OE1-NE 3.2Å; E571-R579 PolarHBondContact OE1-NE 3.44Å; E571-R579 IonicContact OE1-NH2 2.91Å; E571-R579 PolarHBondContact OE1-NH2 3.32Å; E571-R579 IonicContact OE2-CZ 3.23Å; E571-R579 IonicContact OE2-NE 3.37Å; E571-R579 PolarHBondContact OE2-NE 3.33Å; E571-R579 IonicContact OE2-NH2 3.65Å; E571-R579 PolarHBondContact OE2-NH2 3.44Å
572	F	46	Very low	47.3	Very low	49 Å²	49	82.2 Å²	82.2	22%	0.215	44%	0.444	C	S	.	.			trans	-65.2	125	172.9	-151.3	-112.7	0	0	0	110.2	N504 L507 P574 K575 R576	N504-F572 WeakPolarHBondContact OD1-CB 3.36Å; N504-F572 WeakPolarHBondContact OD1-CD2 3.47Å; L507-F572 HydrophobicContact CD2-CE2 3.9Å; L507-F572 HydrophobicContact CD2-CZ 4.23Å; F572-P574 HydrophobicContact CD1-CG 3.67Å; F572-P574 HydrophobicContact CE1-CG 4.06Å; F572-P574 VanDerWaalsContact O-N 3.12Å; F572-K575 WeakPolarHBondContact O-CB 3.47Å; F572-K575 PolarHBondContact O-N 3.36Å; F572-R576 PolarHBondContact O-N 2.89Å
573	P	53	Low	48.9	Very low	71 Å²	71	80.9 Å²	80.9	46%	0.461	42%	0.421	S	S	.	.	H	α-helix	trans	-46.4	-46.6	-168.3	-31.6	35	0	0	0	117.1	M454 K575 R576 A577	M454-P573 HydrophobicContact CE-CB 4.42Å; P573-K575 PolarHBondContact O-N 3.46Å; P573-R576 PolarHBondContact O-N 3.32Å; P573-R576 VanDerWaalsContact O-N 3.16Å; P573-A577 PolarHBondContact O-N 3.29Å
574	P	48	Very low	50.5	Low	37 Å²	37	79.2 Å²	79.2	24%	0.24	40%	0.399	C	S	.	.	H	α-helix	trans	-68.1	-18.6	179.5	27.1	-36.1	0	0	0	114.2	L501 F572 L578	L501-P574 HydrophobicContact CD1-CB 4.2Å; L501-P574 HydrophobicContact CD1-CG 4.43Å; L501-P574 HydrophobicContact CD2-CB 4.2Å; L501-P574 HydrophobicContact CD2-CG 4Å; F572-P574 HydrophobicContact CD1-CG 3.67Å; F572-P574 HydrophobicContact CE1-CG 4.06Å; F572-P574 VanDerWaalsContact O-N 3.12Å; P574-L578 VanDerWaalsContact O-CB 3.23Å; P574-L578 WeakPolarHBondContact O-CB 3.48Å; P574-L578 PolarHBondContact O-N 3.32Å; P574-L578 VanDerWaalsContact O-N 3.09Å
575	K	50.2	Low	51.6	Low	34 Å²	34	73.2 Å²	73.2	15%	0.148	37%	0.372	C	S	.	.	H	α-helix	trans	-73.1	-47.1	170	-66.9	-171.7	175.2	179.3	0	110.5	L496 L501 P502 E571 F572 P573 A577 L578 R579	L496-K575 HydrophobicContact CD2-CB 3.99Å; L496-K575 HydrophobicContact CD2-CD 4.01Å; L496-K575 HydrophobicContact CD2-CG 3.7Å; L501-K575 HydrophobicContact CB-CD 4.48Å; L501-K575 VanDerWaalsContact CB-CE 3.49Å; L501-K575 HydrophobicContact CB-CG 4.08Å; L501-K575 HydrophobicContact CD1-CB 4.49Å; L501-K575 HydrophobicContact CD1-CG 3.62Å; L501-K575 HydrophobicContact CG-CG 4.5Å; L501-K575 PolarHBondContact O-NZ 2.86Å; P502-K575 PolarHBondContact O-NZ 2.88Å; E571-K575 VanDerWaalsContact CD-CB 3.44Å; E571-K575 HydrophobicContact CG-CB 3.65Å; E571-K575 WeakPolarHBondContact OE1-CB 2.99Å; F572-K575 WeakPolarHBondContact O-CB 3.47Å; F572-K575 PolarHBondContact O-N 3.36Å; P573-K575 PolarHBondContact O-N 3.46Å; K575-A577 PolarHBondContact O-N 3.47Å; K575-L578 PolarHBondContact O-N 3.46Å; K575-R579 WeakPolarHBondContact O-CG 3.39Å; K575-R579 PolarHBondContact O-N 3.34Å
576	R	56.8	Low	52.7	Low	97 Å²	97	68.4 Å²	68.4	37%	0.366	34%	0.341	S	S	.	.	H	α-helix	trans	-60.3	-45.5	175.6	-179	174	174.7	145.9	-14.2	111.6	E568 D569 E571 F572 P573 L578 R579 L580	E568-R576 PolarHBondContact O-NH1 3.21Å; D569-R576 IonicContact OD1-CZ 2.76Å; D569-R576 IonicContact OD1-NH1 2.75Å; D569-R576 PolarHBondContact OD1-NH1 3Å; D569-R576 IonicContact OD1-NH2 3.84Å; D569-R576 PolarHBondContact OD1-NH2 3.2Å; E571-R576 HydrophobicContact CG-CB 4.35Å; E571-R576 WeakPolarHBondContact OE2-CA 3.42Å; E571-R576 PolarHBondContact OE2-N 2.89Å; F572-R576 PolarHBondContact O-N 2.89Å; P573-R576 PolarHBondContact O-N 3.32Å; P573-R576 VanDerWaalsContact O-N 3.16Å; R576-L578 PolarHBondContact O-N 3.11Å; R576-R579 PolarHBondContact O-N 2.85Å; R576-L580 HydrophobicContact CG-CD1 4.11Å; R576-L580 WeakPolarHBondContact O-CG 3.43Å; R576-L580 PolarHBondContact O-N 2.93Å
577	A	53.8	Low	54.2	Low	39 Å²	39	67.5 Å²	67.5	32%	0.322	33%	0.333	S	S	.	.	H	α-helix	trans	-60.5	-42.8	174.9	0	0	0	0	0	112.2	P573 K575 L580 A581	P573-A577 PolarHBondContact O-N 3.29Å; K575-A577 PolarHBondContact O-N 3.47Å; A577-L580 PolarHBondContact O-N 3.12Å; A577-A581 WeakPolarHBondContact O-CB 3.45Å; A577-A581 PolarHBondContact O-N 2.95Å
578	L	54.7	Low	54.9	Low	23 Å²	23	67.9 Å²	67.9	12%	0.12	32%	0.324	C	S	.	.	H	α-helix	trans	-63.5	-44.4	174.4	-178.6	63.5	0	0	0	112	L496 F499 P574 K575 R576 L580 A581 I582	L496-L578 HydrophobicContact CD2-CD2 4.01Å; L496-L578 HydrophobicContact CG-CD2 4.38Å; F499-L578 HydrophobicContact CB-CD2 4.5Å; F499-L578 HydrophobicContact CD2-CD1 3.98Å; F499-L578 HydrophobicContact CD2-CD2 3.58Å; F499-L578 HydrophobicContact CD2-CG 4.43Å; F499-L578 HydrophobicContact CE2-CD1 3.77Å; F499-L578 HydrophobicContact CE2-CD2 4.22Å; F499-L578 HydrophobicContact CG-CD2 4.31Å; P574-L578 VanDerWaalsContact O-CB 3.23Å; P574-L578 WeakPolarHBondContact O-CB 3.48Å; P574-L578 PolarHBondContact O-N 3.32Å; P574-L578 VanDerWaalsContact O-N 3.09Å; K575-L578 PolarHBondContact O-N 3.46Å; R576-L578 PolarHBondContact O-N 3.11Å; L578-L580 VanDerWaalsContact C-N 3.33Å; L578-L580 PolarHBondContact O-N 3.19Å; L578-A581 PolarHBondContact O-N 2.87Å; L578-I582 HydrophobicContact CD1-CD1 4.06Å; L578-I582 HydrophobicContact CD1-CG1 4.32Å; L578-I582 HydrophobicContact CD2-CD1 4.48Å; L578-I582 HydrophobicContact CG-CD1 3.8Å; L578-I582 HydrophobicContact CG-CG1 4.49Å; L578-I582 WeakPolarHBondContact O-CD1 3.32Å; L578-I582 VanDerWaalsContact O-CG1 3.22Å; L578-I582 WeakPolarHBondContact O-CG1 3.46Å; L578-I582 PolarHBondContact O-N 3.48Å
579	R	58.2	Low	55.3	Low	61 Å²	61	66.7 Å²	66.7	23%	0.23	32%	0.323	C	S	.	.	H	α-helix	trans	-57.9	-45.1	174.1	-66.1	-165	-150.4	-143.9	20.2	111.3	E492 E571 K575 R576 I582 R583	E492-R579 HydrophobicContact CG-CG 4.14Å; E492-R579 VanDerWaalsContact OE1-CD 3.3Å; E492-R579 WeakPolarHBondContact OE1-CD 3.36Å; E492-R579 IonicContact OE1-CZ 2.75Å; E492-R579 VanDerWaalsContact OE1-CZ 3.3Å; E492-R579 IonicContact OE1-NE 3.49Å; E492-R579 PolarHBondContact OE1-NE 2.9Å; E492-R579 IonicContact OE1-NH1 3.46Å; E492-R579 PolarHBondContact OE1-NH1 2.95Å; E571-R579 IonicContact OE1-CZ 2.93Å; E571-R579 IonicContact OE1-NE 3.2Å; E571-R579 PolarHBondContact OE1-NE 3.44Å; E571-R579 IonicContact OE1-NH2 2.91Å; E571-R579 PolarHBondContact OE1-NH2 3.32Å; E571-R579 IonicContact OE2-CZ 3.23Å; E571-R579 IonicContact OE2-NE 3.37Å; E571-R579 PolarHBondContact OE2-NE 3.33Å; E571-R579 IonicContact OE2-NH2 3.65Å; E571-R579 PolarHBondContact OE2-NH2 3.44Å; K575-R579 WeakPolarHBondContact O-CG 3.39Å; K575-R579 PolarHBondContact O-N 3.34Å; R576-R579 PolarHBondContact O-N 2.85Å; R579-I582 PolarHBondContact O-N 3.45Å; R579-R583 WeakPolarHBondContact O-CB 3.4Å; R579-R583 VanDerWaalsContact O-CG 3.24Å; R579-R583 WeakPolarHBondContact O-CG 3.3Å; R579-R583 PolarHBondContact O-N 3.27Å
580	L	63.5	Low	55.7	Low	72 Å²	72	63.2 Å²	63.2	38%	0.377	31%	0.305	S	S	.	.	H	α-helix	trans	-63.3	-42.8	178.5	-75.1	164	0	0	0	112	R576 A577 L578 R583 R584	R576-L580 HydrophobicContact CG-CD1 4.11Å; R576-L580 WeakPolarHBondContact O-CG 3.43Å; R576-L580 PolarHBondContact O-N 2.93Å; A577-L580 PolarHBondContact O-N 3.12Å; L578-L580 VanDerWaalsContact C-N 3.33Å; L578-L580 PolarHBondContact O-N 3.19Å; L580-R583 PolarHBondContact O-N 2.81Å; L580-R584 WeakPolarHBondContact O-CB 3.49Å; L580-R584 WeakPolarHBondContact O-CG 3.48Å; L580-R584 PolarHBondContact O-N 3.06Å
581	A	56.3	Low	56.4	Low	30 Å²	30	61.1 Å²	61.1	25%	0.248	30%	0.297	C	S	.	.	H	α-helix	trans	-61	-45.2	174	0	0	0	0	0	111.8	A577 L578 R584 L585	A577-A581 WeakPolarHBondContact O-CB 3.45Å; A577-A581 PolarHBondContact O-N 2.95Å; L578-A581 PolarHBondContact O-N 2.87Å; A581-R584 PolarHBondContact O-N 2.96Å; A581-L585 WeakPolarHBondContact O-CB 3.33Å; A581-L585 PolarHBondContact O-N 3.38Å
582	I	58	Low	56.6	Low	8 Å²	8	62.2 Å²	62.2	4%	0.041	31%	0.309	C	S	.	.	H	α-helix	trans	-63	-46.9	176.2	-66.8	162.7	0	0	0	111.2	L491 L495 L578 R579 R584 L585 L586	L491-I582 HydrophobicContact CD2-CG2 4.41Å; L495-I582 HydrophobicContact CB-CD1 3.87Å; L495-I582 HydrophobicContact CD1-CD1 3.48Å; L495-I582 VanDerWaalsContact CD1-CD1 3.48Å; L495-I582 HydrophobicContact CD1-CG1 3.69Å; L495-I582 HydrophobicContact CG-CD1 4.32Å; L578-I582 HydrophobicContact CD1-CD1 4.06Å; L578-I582 HydrophobicContact CD1-CG1 4.32Å; L578-I582 HydrophobicContact CD2-CD1 4.48Å; L578-I582 HydrophobicContact CG-CD1 3.8Å; L578-I582 HydrophobicContact CG-CG1 4.49Å; L578-I582 WeakPolarHBondContact O-CD1 3.32Å; L578-I582 VanDerWaalsContact O-CG1 3.22Å; L578-I582 WeakPolarHBondContact O-CG1 3.46Å; L578-I582 PolarHBondContact O-N 3.48Å; R579-I582 PolarHBondContact O-N 3.45Å; I582-R584 PolarHBondContact O-N 3.02Å; I582-L585 WeakPolarHBondContact O-CB 3.35Å; I582-L585 PolarHBondContact O-N 3.12Å; I582-L586 HydrophobicContact CG2-CD1 3.9Å; I582-L586 HydrophobicContact CG2-CG 4.38Å; I582-L586 WeakPolarHBondContact O-CG 3.44Å; I582-L586 PolarHBondContact O-N 3.27Å
583	R	64.2	Low	56.7	Low	86 Å²	86	64.9 Å²	64.9	33%	0.325	33%	0.325	S	S	.	.	H	α-helix	trans	-57.6	-48.5	177.2	-73.9	171.9	-174.5	176.4	3.8	110.8	E568 R579 L580 L586 Q587	E568-R583 IonicContact OE1-CZ 3.2Å; E568-R583 VanDerWaalsContact OE1-CZ 3.29Å; E568-R583 IonicContact OE1-NH1 3.69Å; E568-R583 PolarHBondContact OE1-NH1 3.46Å; E568-R583 IonicContact OE1-NH2 3.49Å; E568-R583 PolarHBondContact OE1-NH2 2.97Å; E568-R583 IonicContact OE2-NH1 3.35Å; E568-R583 PolarHBondContact OE2-NH1 3.39Å; R579-R583 WeakPolarHBondContact O-CB 3.4Å; R579-R583 VanDerWaalsContact O-CG 3.24Å; R579-R583 WeakPolarHBondContact O-CG 3.3Å; R579-R583 PolarHBondContact O-N 3.27Å; L580-R583 PolarHBondContact O-N 2.81Å; R583-L586 PolarHBondContact O-N 3.11Å; R583-Q587 WeakPolarHBondContact O-CB 3.25Å; R583-Q587 PolarHBondContact O-N 3.29Å
584	R	64.1	Low	56.7	Low	75 Å²	75	63.2 Å²	63.2	28%	0.283	31%	0.312	S	S	.	.	H	α-helix	trans	-64.8	-37	175.7	-73.5	179.5	177	162.7	0.8	112.4	M265 H464 D465 L580 A581 I582 Q587 R588	M265-R584 HydrophobicContact CE-CB 3.55Å; M265-R584 HydrophobicContact CE-CG 4.4Å; H464-R584 PolarHBondContact CE1-NH1 3.45Å; D465-R584 IonicContact OD1-CZ 2.7Å; D465-R584 IonicContact OD1-NH1 3.63Å; D465-R584 IonicContact OD1-NH2 2.74Å; D465-R584 PolarHBondContact OD1-NH2 3.26Å; L580-R584 WeakPolarHBondContact O-CB 3.49Å; L580-R584 WeakPolarHBondContact O-CG 3.48Å; L580-R584 PolarHBondContact O-N 3.06Å; A581-R584 PolarHBondContact O-N 2.96Å; I582-R584 PolarHBondContact O-N 3.02Å; R584-Q587 PolarHBondContact O-N 3.01Å; R584-R588 PolarHBondContact O-N 2.9Å
585	L	53.3	Low	56.8	Low	50 Å²	50	66.2 Å²	66.2	26%	0.262	32%	0.324	S	S	.	.	H	α-helix	trans	-62.5	-50.5	174.9	-114.8	170	0	0	0	111.9	I269 A581 I582 Q587 R588 V589	I269-L585 HydrophobicContact CD1-CD1 3.86Å; A581-L585 WeakPolarHBondContact O-CB 3.33Å; A581-L585 PolarHBondContact O-N 3.38Å; I582-L585 WeakPolarHBondContact O-CB 3.35Å; I582-L585 PolarHBondContact O-N 3.12Å; L585-Q587 VanDerWaalsContact C-N 3.28Å; L585-Q587 PolarHBondContact O-N 3.28Å; L585-R588 PolarHBondContact O-N 2.97Å; L585-V589 WeakPolarHBondContact O-CG2 3.35Å; L585-V589 PolarHBondContact O-N 3.48Å
586	L	58.1	Low	56.6	Low	30 Å²	30	68.2 Å²	68.2	16%	0.157	34%	0.342	C	S	.	.	H	α-helix	trans	-64.9	-33.1	178.4	-68.3	173.1	0	0	0	111.8	L483 L488 L491 I582 R583 V589 N590	L483-L586 HydrophobicContact CD2-CD2 4.02Å; L488-L586 HydrophobicContact CD1-CD1 3.65Å; L488-L586 HydrophobicContact CG-CD1 3.66Å; L491-L586 HydrophobicContact CD2-CD1 4.11Å; L491-L586 HydrophobicContact CD2-CD2 3.97Å; L491-L586 HydrophobicContact CD2-CG 4.4Å; I582-L586 HydrophobicContact CG2-CD1 3.9Å; I582-L586 HydrophobicContact CG2-CG 4.38Å; I582-L586 WeakPolarHBondContact O-CG 3.44Å; I582-L586 PolarHBondContact O-N 3.27Å; R583-L586 PolarHBondContact O-N 3.11Å; L586-V589 PolarHBondContact O-N 2.86Å; L586-N590 VanDerWaalsContact O-CB 3.31Å; L586-N590 WeakPolarHBondContact O-CB 3.32Å; L586-N590 PolarHBondContact O-N 3.38Å
587	Q	66.7	Low	55.9	Low	117 Å²	117	68.6 Å²	68.6	55%	0.547	35%	0.348	S	S	.	.	H	α-helix	trans	-63.9	-43.3	172.1	-174.2	173.4	-10.9	0	0	112	R583 R584 L585 N590 Q591	R583-Q587 WeakPolarHBondContact O-CB 3.25Å; R583-Q587 PolarHBondContact O-N 3.29Å; R584-Q587 PolarHBondContact O-N 3.01Å; L585-Q587 VanDerWaalsContact C-N 3.28Å; L585-Q587 PolarHBondContact O-N 3.28Å; Q587-N590 PolarHBondContact O-N 3.16Å; Q587-Q591 WeakPolarHBondContact O-CG 3.47Å; Q587-Q591 PolarHBondContact O-N 3.48Å
588	R	58.4	Low	55.6	Low	139 Å²	139	72 Å²	72	53%	0.525	36%	0.356	S	S	.	.	H	α-helix	trans	-64.4	-41.7	174.1	-74.6	-170.8	178.5	-160.8	-0.3	112.6	R584 L585 N590 Q591 S592	R584-R588 PolarHBondContact O-N 2.9Å; L585-R588 PolarHBondContact O-N 2.97Å; R588-N590 VanDerWaalsContact C-N 3.32Å; R588-N590 PolarHBondContact O-N 2.7Å; R588-Q591 WeakPolarHBondContact O-CB 3.37Å; R588-Q591 PolarHBondContact O-N 3.42Å; R588-S592 PolarHBondContact O-N 3.32Å; R588-S592 PolarHBondContact O-OG 3.46Å
589	V	51.9	Low	54.7	Low	65 Å²	65	77.8 Å²	77.8	39%	0.394	38%	0.384	S	S	.	.	H	α-helix	trans	-63.7	-37.5	175.4	172.5	0	0	0	0	111.7	L585 L586 S592 L593	L585-V589 WeakPolarHBondContact O-CG2 3.35Å; L585-V589 PolarHBondContact O-N 3.48Å; L586-V589 PolarHBondContact O-N 2.86Å; V589-S592 PolarHBondContact O-OG 3.39Å; V589-S592 VanDerWaalsContact O-OG 3.1Å; V589-L593 PolarHBondContact O-N 3.07Å
590	N	56.4	Low	54	Low	58 Å²	58	79.1 Å²	79.1	31%	0.31	40%	0.402	S	S	.	.	H	α-helix	trans	-69.6	-34.5	174.8	-163.1	40	0	0	0	111.9	N481 L586 Q587 R588 L594	N481-N590 PolarHBondContact O-ND2 3.41Å; L586-N590 VanDerWaalsContact O-CB 3.31Å; L586-N590 WeakPolarHBondContact O-CB 3.32Å; L586-N590 PolarHBondContact O-N 3.38Å; Q587-N590 PolarHBondContact O-N 3.16Å; R588-N590 VanDerWaalsContact C-N 3.32Å; R588-N590 PolarHBondContact O-N 2.7Å; N590-L594 WeakPolarHBondContact O-CB 3.39Å; N590-L594 PolarHBondContact O-N 3.05Å
591	Q	64.4	Low	53	Low	102 Å²	102	82 Å²	82	48%	0.477	41%	0.413	S	S	.	.	H	α-helix	trans	-66.4	-44.5	173.3	-75.4	169	-41.8	0	0	112	Q587 R588 L594 M595	Q587-Q591 WeakPolarHBondContact O-CG 3.47Å; Q587-Q591 PolarHBondContact O-N 3.48Å; R588-Q591 WeakPolarHBondContact O-CB 3.37Å; R588-Q591 PolarHBondContact O-N 3.42Å; Q591-L594 PolarHBondContact O-N 3.12Å; Q591-M595 WeakPolarHBondContact O-CG 3.35Å; Q591-M595 PolarHBondContact O-N 2.87Å
592	S	52.6	Low	52.3	Low	63 Å²	63	84.1 Å²	84.1	44%	0.441	43%	0.425	S	S	.	.	H	α-helix	trans	-67.9	-37	177.2	60.9	0	0	0	0	112.5	R588 V589 M595 S596	R588-S592 PolarHBondContact O-N 3.32Å; R588-S592 PolarHBondContact O-OG 3.46Å; V589-S592 PolarHBondContact O-OG 3.39Å; V589-S592 VanDerWaalsContact O-OG 3.1Å; S592-M595 PolarHBondContact O-N 3.38Å; S592-S596 WeakPolarHBondContact O-CB 3.31Å; S592-S596 PolarHBondContact O-N 3.44Å
593	L	48	Very low	51.6	Low	105 Å²	105	90 Å²	90	55%	0.55	45%	0.452	S	S	.	.	H	α-helix	trans	-58.8	-45.9	168.9	-113.1	75.8	0	0	0	111.7	V589 M595 S596 E597	V589-L593 PolarHBondContact O-N 3.07Å; L593-M595 VanDerWaalsContact C-N 3.3Å; L593-M595 PolarHBondContact O-N 3.08Å; L593-S596 WeakPolarHBondContact O-CB 3.38Å; L593-S596 PolarHBondContact O-N 3.09Å; L593-S596 VanDerWaalsContact O-N 3.11Å; L593-E597 PolarHBondContact O-N 3.33Å
594	L	54.2	Low	50.4	Low	37 Å²	37	88.5 Å²	88.5	19%	0.194	46%	0.459	C	S	.	.	H	α-helix	trans	-66.6	-30.9	-179.7	-161.9	77	0	0	0	112.6	P479 N590 Q591 K598	P479-L594 HydrophobicContact CB-CD2 4.16Å; P479-L594 HydrophobicContact CG-CD2 4.28Å; N590-L594 WeakPolarHBondContact O-CB 3.39Å; N590-L594 PolarHBondContact O-N 3.05Å; Q591-L594 PolarHBondContact O-N 3.12Å; L594-K598 WeakPolarHBondContact O-CB 3.34Å; L594-K598 VanDerWaalsContact O-CG 3.3Å; L594-K598 WeakPolarHBondContact O-CG 3.44Å; L594-K598 PolarHBondContact O-N 2.89Å; L594-K598 VanDerWaalsContact O-N 3.13Å
595	M	48.9	Very low	49.5	Very low	100 Å²	100	90.7 Å²	90.7	49%	0.493	48%	0.475	S	S	.	.	H	α-helix	trans	-71.3	-39.1	170.2	-64.4	-50.5	130.5	0	0	111.6	Q591 S592 L593 K598 M599	Q591-M595 WeakPolarHBondContact O-CG 3.35Å; Q591-M595 PolarHBondContact O-N 2.87Å; S592-M595 PolarHBondContact O-N 3.38Å; L593-M595 VanDerWaalsContact C-N 3.3Å; L593-M595 PolarHBondContact O-N 3.08Å; M595-K598 PolarHBondContact O-N 2.89Å; M595-K598 HydrophobicContact SD-CD 4.38Å; M595-M599 WeakPolarHBondContact O-CG 3.39Å; M595-M599 PolarHBondContact O-N 2.91Å
596	S	45.2	Very low	49	Very low	76 Å²	76	93.2 Å²	93.2	53%	0.531	49%	0.489	S	S	.	.	H	α-helix	trans	-62.4	-45	174.5	-170	0	0	0	0	112.2	S592 L593 K598 M599 C600	S592-S596 WeakPolarHBondContact O-CB 3.31Å; S592-S596 PolarHBondContact O-N 3.44Å; L593-S596 WeakPolarHBondContact O-CB 3.38Å; L593-S596 PolarHBondContact O-N 3.09Å; L593-S596 VanDerWaalsContact O-N 3.11Å; S596-K598 VanDerWaalsContact C-N 3.35Å; S596-K598 PolarHBondContact O-N 3.38Å; S596-M599 PolarHBondContact O-N 3.19Å; S596-C600 WeakPolarHBondContact O-CB 3.35Å; S596-C600 PolarHBondContact O-N 3.33Å
597	E	43.9	Very low	48.2	Very low	104 Å²	104	96.8 Å²	96.8	49%	0.486	51%	0.508	S	S	.	.	H	α-helix	trans	-58.7	-44.3	172.6	-74.9	-170.2	128.8	0	0	111.7	L593 C600 Q601	L593-E597 PolarHBondContact O-N 3.33Å; E597-C600 PolarHBondContact O-N 2.85Å; E597-Q601 PolarHBondContact O-N 3.39Å
598	K	45.9	Very low	46.9	Very low	111 Å²	111	95.2 Å²	95.2	48%	0.483	51%	0.509	S	S	.	.	H	α-helix	trans	-64.8	-43.1	177.2	-78.5	179.5	175.4	-168.1	0	112.8	L594 M595 S596 C600 Q601 C602	L594-K598 WeakPolarHBondContact O-CB 3.34Å; L594-K598 VanDerWaalsContact O-CG 3.3Å; L594-K598 WeakPolarHBondContact O-CG 3.44Å; L594-K598 PolarHBondContact O-N 2.89Å; L594-K598 VanDerWaalsContact O-N 3.13Å; M595-K598 PolarHBondContact O-N 2.89Å; M595-K598 HydrophobicContact SD-CD 4.38Å; S596-K598 VanDerWaalsContact C-N 3.35Å; S596-K598 PolarHBondContact O-N 3.38Å; K598-C600 VanDerWaalsContact C-N 3.31Å; K598-C600 PolarHBondContact O-N 2.81Å; K598-Q601 PolarHBondContact O-N 3.01Å; K598-C602 WeakPolarHBondContact O-CB 3.33Å; K598-C602 PolarHBondContact O-N 3.02Å; K598-C602 PolarHBondContact O-SG 3.19Å; K598-C602 VanDerWaalsContact O-SG 3.32Å
599	M	37.6	Very low	46.1	Very low	145 Å²	145	91.3 Å²	91.3	71%	0.714	50%	0.502	S	S	*	.	H	α-helix	trans	-63.2	-40.3	174.9	-70.9	-173.2	82	0	0	111	M595 S596 C602 H603	M595-M599 WeakPolarHBondContact O-CG 3.39Å; M595-M599 PolarHBondContact O-N 2.91Å; S596-M599 PolarHBondContact O-N 3.19Å; M599-C602 PolarHBondContact O-N 3.36Å; M599-H603 WeakPolarHBondContact O-CB 3.18Å; M599-H603 PolarHBondContact O-N 3.22Å
600	C	42.5	Very low	45.5	Very low	89 Å²	89	93.8 Å²	93.8	60%	0.601	51%	0.51	S	S	*	.	H	α-helix	trans	-63.9	-42.1	175.5	-164	0	0	0	0	112.1	S596 E597 K598 H603 A604	S596-C600 WeakPolarHBondContact O-CB 3.35Å; S596-C600 PolarHBondContact O-N 3.33Å; E597-C600 PolarHBondContact O-N 2.85Å; K598-C600 VanDerWaalsContact C-N 3.31Å; K598-C600 PolarHBondContact O-N 2.81Å; C600-H603 PolarHBondContact O-N 3.21Å; C600-A604 WeakPolarHBondContact O-CB 3.49Å; C600-A604 PolarHBondContact O-N 3.22Å
601	Q	43.3	Very low	44.8	Very low	132 Å²	132	99.1 Å²	99.1	62%	0.617	53%	0.53	S	S	*	.	H	α-helix	trans	-64.9	-43.3	173.5	-77.6	-173.4	-24.4	0	0	112.7	E597 K598 H603 A604 L605	E597-Q601 PolarHBondContact O-N 3.39Å; K598-Q601 PolarHBondContact O-N 3.01Å; Q601-H603 VanDerWaalsContact C-N 3.32Å; Q601-H603 PolarHBondContact O-N 3.46Å; Q601-A604 PolarHBondContact O-N 3.25Å; Q601-L605 WeakPolarHBondContact O-CB 3.39Å; Q601-L605 VanDerWaalsContact O-CG 3.32Å; Q601-L605 WeakPolarHBondContact O-CG 3.32Å; Q601-L605 PolarHBondContact O-N 2.88Å
602	C	41.4	Very low	43.7	Very low	74 Å²	74	97.2 Å²	97.2	50%	0.5	53%	0.528	S	S	.	.	H	α-helix	trans	-62.7	-39.1	174.8	-70.4	0	0	0	0	111.8	K598 M599 N606	K598-C602 WeakPolarHBondContact O-CB 3.33Å; K598-C602 PolarHBondContact O-N 3.02Å; K598-C602 PolarHBondContact O-SG 3.19Å; K598-C602 VanDerWaalsContact O-SG 3.32Å; M599-C602 PolarHBondContact O-N 3.36Å; C602-N606 WeakPolarHBondContact O-CB 3.33Å; C602-N606 VanDerWaalsContact O-CG 3.31Å; C602-N606 PolarHBondContact O-N 2.9Å
603	H	41.9	Very low	43	Very low	131 Å²	131	99.3 Å²	99.3	61%	0.606	53%	0.531	S	S	*	.	H	α-helix	trans	-67.3	-42.3	175.5	-134.9	-89.9	0	0	0	111.7	M599 C600 Q601 N606 L607	M599-H603 WeakPolarHBondContact O-CB 3.18Å; M599-H603 PolarHBondContact O-N 3.22Å; C600-H603 PolarHBondContact O-N 3.21Å; Q601-H603 VanDerWaalsContact C-N 3.32Å; Q601-H603 PolarHBondContact O-N 3.46Å; H603-N606 PolarHBondContact O-N 3.03Å; H603-L607 WeakPolarHBondContact ND1-CD1 3.48Å; H603-L607 WeakPolarHBondContact O-CD1 3.49Å; H603-L607 PolarHBondContact O-N 2.98Å
604	A	39.7	Very low	42.7	Very low	56 Å²	56	99.7 Å²	99.7	46%	0.463	53%	0.532	S	S	.	.	H	α-helix	trans	-63.6	-41.1	176	0	0	0	0	0	112.5	C600 Q601 L607 C608	C600-A604 WeakPolarHBondContact O-CB 3.49Å; C600-A604 PolarHBondContact O-N 3.22Å; Q601-A604 PolarHBondContact O-N 3.25Å; A604-L607 PolarHBondContact O-N 2.93Å; A604-C608 PolarHBondContact O-N 3.4Å; A604-C608 PolarHBondContact O-SG 3.22Å
605	L	44.7	Very low	41.7	Very low	120 Å²	120	103 Å²	103	63%	0.628	56%	0.557	S	S	*	*	H	α-helix	trans	-67.1	-41.9	175.7	-73.5	169.1	0	0	0	111.8	Q601 C608 S609	Q601-L605 WeakPolarHBondContact O-CB 3.39Å; Q601-L605 VanDerWaalsContact O-CG 3.32Å; Q601-L605 WeakPolarHBondContact O-CG 3.32Å; Q601-L605 PolarHBondContact O-N 2.88Å; L605-C608 WeakPolarHBondContact O-CB 3.46Å; L605-C608 PolarHBondContact O-N 3.34Å; L605-C608 VanDerWaalsContact O-N 3.14Å; L605-S609 PolarHBondContact O-N 3.09Å; L605-S609 PolarHBondContact O-OG 3.37Å
606	N	43	Very low	41.2	Very low	103 Å²	103	105.6 Å²	105.6	55%	0.551	57%	0.568	S	S	*	*	H	α-helix	trans	-66.5	-35.7	175.2	-75.4	-7.2	0	0	0	112.6	C602 H603 C608 S609 H610	C602-N606 WeakPolarHBondContact O-CB 3.33Å; C602-N606 VanDerWaalsContact O-CG 3.31Å; C602-N606 PolarHBondContact O-N 2.9Å; H603-N606 PolarHBondContact O-N 3.03Å; N606-C608 VanDerWaalsContact C-N 3.3Å; N606-S609 WeakPolarHBondContact CA-OG 3.22Å; N606-S609 PolarHBondContact O-OG 3.35Å; N606-H610 WeakPolarHBondContact O-CB 3.42Å; N606-H610 PolarHBondContact O-N 3.12Å
607	L	41.2	Very low	40.9	Very low	106 Å²	106	109 Å²	109	56%	0.555	57%	0.573	S	S	*	*	H	α-helix	trans	-69.7	-27.2	171.4	-92.9	81.2	0	0	0	112.6	H603 A604 K611	H603-L607 WeakPolarHBondContact ND1-CD1 3.48Å; H603-L607 WeakPolarHBondContact O-CD1 3.49Å; H603-L607 PolarHBondContact O-N 2.98Å; A604-L607 PolarHBondContact O-N 2.93Å; L607-K611 WeakPolarHBondContact O-CB 3.4Å; L607-K611 PolarHBondContact O-N 3.04Å
608	C	39.7	Very low	40.5	Very low	84 Å²	84	111.3 Å²	111.3	57%	0.568	59%	0.589	S	S	*	*	H	α-helix	trans	-74.3	-47.7	173.2	-71.2	0	0	0	0	111.9	A604 L605 N606 H610 K611 S612	A604-C608 PolarHBondContact O-N 3.4Å; A604-C608 PolarHBondContact O-SG 3.22Å; L605-C608 WeakPolarHBondContact O-CB 3.46Å; L605-C608 PolarHBondContact O-N 3.34Å; L605-C608 VanDerWaalsContact O-N 3.14Å; N606-C608 VanDerWaalsContact C-N 3.3Å; C608-H610 PolarHBondContact O-N 2.83Å; C608-K611 PolarHBondContact O-N 3.42Å; C608-K611 VanDerWaalsContact O-N 3.12Å; C608-S612 PolarHBondContact O-N 2.96Å; C608-S612 PolarHBondContact O-OG 3.07Å
609	S	40.8	Very low	40.1	Very low	56 Å²	56	114.9 Å²	114.9	39%	0.392	61%	0.605	S	S	.	*	H	α-helix	trans	-63.6	-40.7	177.7	60.3	0	0	0	0	112	L605 N606 K611 S612 E613	L605-S609 PolarHBondContact O-N 3.09Å; L605-S609 PolarHBondContact O-OG 3.37Å; N606-S609 WeakPolarHBondContact CA-OG 3.22Å; N606-S609 PolarHBondContact O-OG 3.35Å; S609-K611 PolarHBondContact O-N 3.16Å; S609-S612 WeakPolarHBondContact CA-OG 3.41Å; S609-S612 PolarHBondContact O-N 2.98Å; S609-S612 PolarHBondContact O-OG 2.89Å; S609-E613 PolarHBondContact O-N 3.46Å
610	H	40.4	Very low	39.8	Very low	118 Å²	118	115.8 Å²	115.8	55%	0.546	61%	0.612	S	S	.	*	H	α-helix	trans	-70.5	-17.3	176.6	-153.8	-49.1	0	0	0	112.8	N606 C608 I614	N606-H610 WeakPolarHBondContact O-CB 3.42Å; N606-H610 PolarHBondContact O-N 3.12Å; C608-H610 PolarHBondContact O-N 2.83Å; H610-I614 WeakPolarHBondContact O-CD1 3.47Å; H610-I614 VanDerWaalsContact O-CG1 3.26Å; H610-I614 WeakPolarHBondContact O-CG1 3.48Å
611	K	41.1	Very low	39.3	Very low	170 Å²	170	117.6 Å²	117.6	74%	0.739	62%	0.622	S	S	*	*	H	α-helix	trans	-83.8	-32.4	167.8	-91.9	-173.1	171.8	-178.8	0	113.5	L607 C608 S609 C615	L607-K611 WeakPolarHBondContact O-CB 3.4Å; L607-K611 PolarHBondContact O-N 3.04Å; C608-K611 PolarHBondContact O-N 3.42Å; C608-K611 VanDerWaalsContact O-N 3.12Å; S609-K611 PolarHBondContact O-N 3.16Å; K611-C615 PolarHBondContact O-N 2.88Å
612	S	41	Very low	38.9	Very low	61 Å²	61	119.4 Å²	119.4	43%	0.427	63%	0.634	S	S	.	*	H	α-helix	trans	-70.9	-43.2	171.3	49.1	0	0	0	0	111.8	C608 S609 I614 C615 E616	C608-S612 PolarHBondContact O-N 2.96Å; C608-S612 PolarHBondContact O-OG 3.07Å; S609-S612 WeakPolarHBondContact CA-OG 3.41Å; S609-S612 PolarHBondContact O-N 2.98Å; S609-S612 PolarHBondContact O-OG 2.89Å; S612-I614 PolarHBondContact O-N 3.49Å; S612-C615 WeakPolarHBondContact O-CA 3.36Å; S612-C615 WeakPolarHBondContact O-CB 3.2Å; S612-C615 PolarHBondContact O-N 3.45Å; S612-E616 PolarHBondContact O-N 2.91Å; S612-E616 VanDerWaalsContact O-N 3.14Å
613	E	37.9	Very low	38.2	Very low	107 Å²	107	124.6 Å²	124.6	50%	0.5	65%	0.651	S	S	.	*	H	α-helix	trans	-65.2	-21	178.5	-76.9	-157.5	171.5	0	0	114.6	S609 K617	S609-E613 PolarHBondContact O-N 3.46Å; E613-K617 VanDerWaalsContact O-CD 3.25Å; E613-K617 WeakPolarHBondContact O-CD 3.06Å; E613-K617 WeakPolarHBondContact O-CE 3.3Å; E613-K617 WeakPolarHBondContact O-CG 3.34Å; E613-K617 IonicContact OE2-NZ 3.31Å; E613-K617 PolarHBondContact OE2-NZ 2.88Å
614	I	41.8	Very low	37.7	Very low	113 Å²	113	123.1 Å²	123.1	58%	0.579	65%	0.653	S	S	*	*	H	α-helix	trans	-81.4	-24	171.8	-72.9	174.5	0	0	0	111.1	H610 S612	H610-I614 WeakPolarHBondContact O-CD1 3.47Å; H610-I614 VanDerWaalsContact O-CG1 3.26Å; H610-I614 WeakPolarHBondContact O-CG1 3.48Å; S612-I614 PolarHBondContact O-N 3.49Å
615	C	33.7	Very low	37.4	Very low	107 Å²	107	126 Å²	126	72%	0.723	67%	0.665	S	S	*	*	H	α-helix	trans	-89.1	-14.2	179.5	-162.8	0	0	0	0	113.9	K611 S612	K611-C615 PolarHBondContact O-N 2.88Å; S612-C615 WeakPolarHBondContact O-CA 3.36Å; S612-C615 WeakPolarHBondContact O-CB 3.2Å; S612-C615 PolarHBondContact O-N 3.45Å
616	E	39.6	Very low	36.5	Very low	155 Å²	155	124.9 Å²	124.9	72%	0.724	67%	0.668	S	S	*	*	S	Bend	trans	-104.7	-6	-173.1	-158.4	160.4	-160.9	0	0	114.1	S612 D618	S612-E616 PolarHBondContact O-N 2.91Å; S612-E616 VanDerWaalsContact O-N 3.14Å; E616-D618 VanDerWaalsContact C-N 3.33Å; E616-D618 PolarHBondContact O-N 3.02Å
617	K	37	Very low	35.9	Very low	146 Å²	146	125.5 Å²	125.5	64%	0.635	68%	0.68	S	S	*	*	S	Bend	trans	-81.9	-1.8	-178.5	-76.6	170.3	-175.8	147.6	0	115.2	E613 K619	E613-K617 VanDerWaalsContact O-CD 3.25Å; E613-K617 WeakPolarHBondContact O-CD 3.06Å; E613-K617 WeakPolarHBondContact O-CE 3.3Å; E613-K617 WeakPolarHBondContact O-CG 3.34Å; E613-K617 IonicContact OE2-NZ 3.31Å; E613-K617 PolarHBondContact OE2-NZ 2.88Å; K617-K619 VanDerWaalsContact C-N 3.35Å; K617-K619 PolarHBondContact O-N 3.12Å
618	D	36	Very low	35.5	Very low	154 Å²	154	126 Å²	126	82%	0.824	69%	0.687	S	S	*	*	S	Bend	trans	-92.2	27.4	176.5	-76.4	-29.5	0	0	0	114	E616	E616-D618 VanDerWaalsContact C-N 3.33Å; E616-D618 PolarHBondContact O-N 3.02Å
619	K	37	Very low	35.2	Very low	186 Å²	186	128.8 Å²	128.8	81%	0.809	70%	0.696	S	S	*	*	S	Bend	trans	-129.8	143.5	170.8	-73.3	-173	177.5	177.3	0	112	K617	K617-K619 VanDerWaalsContact C-N 3.35Å; K617-K619 PolarHBondContact O-N 3.12Å
620	L	32.5	Very low	34.6	Very low	164 Å²	164	132.8 Å²	132.8	86%	0.859	71%	0.713	S	S	*	*			trans	-63.7	141.5	-167.1	-77.1	73.7	0	0	0	112.6
621	P	32.6	Very low	34.3	Very low	127 Å²	127	135.6 Å²	135.6	83%	0.825	73%	0.731	S	S	*	*			trans	-79.4	141.4	-179.9	32.5	-35.1	0	0	0	112.5
622	I	33.5	Very low	33.8	Very low	169 Å²	169	134.5 Å²	134.5	87%	0.867	73%	0.731	S	S	*	*			trans	-130.5	127.2	165.9	-59	-178.5	0	0	0	108.3
623	Q	27.4	Very low	33.1	Very low	183 Å²	183	136.2 Å²	136.2	86%	0.855	74%	0.742	S	S	*	*			trans	-78.8	174.5	176.9	-107.1	-178	-12.4	0	0	111.4
624	P	32	Very low	32.8	Very low	101 Å²	101	139.8 Å²	139.8	66%	0.656	76%	0.759	S	S	*	*			cis	-145.4	-160.5	16.3	37.2	-12.4	0	0	0	116.3
625	T	31.7	Very low	32.2	Very low	116 Å²	116	140.4 Å²	140.4	71%	0.712	77%	0.768	S	S	*	*			trans	64.4	98.1	148.1	47	0	0	0	0	122.6
626	S	27.5	Very low	32.2	Very low	97 Å²	97	141.1 Å²	141.1	68%	0.678	77%	0.772	S	S	*	*				31.6	143.2	114.6	61.9	0	0	0	0	123.3
627	S	30	Very low	31.7	Very low	115 Å²	115	141.2 Å²	141.2	80%	0.804	78%	0.777	S	S	*	*			trans	78.9	151.7	162.3	89	0	0	0	0	115.3
628	V	32.8	Very low	31.6	Very low	117 Å²	117	141.1 Å²	141.1	71%	0.709	79%	0.789	S	S	*	*			cis	-157.7	161.7	-2.5	91.8	0	0	0	0	111.7
629	D	32.2	Very low	31.5	Very low	143 Å²	143	138.5 Å²	138.5	77%	0.765	78%	0.783	S	S	*	*			trans	60.2	156.9	158.7	-66.2	-16.1	0	0	0	125
630	N	29	Very low	31.3	Very low	139 Å²	139	136 Å²	136	74%	0.743	78%	0.783	S	S	*	*			trans	-74.9	159	175.9	-44.9	-88.8	0	0	0	112.8
631	I	34.9	Very low	31.5	Very low	178 Å²	178	133 Å²	133	91%	0.913	77%	0.773	S	S	*	*			trans	-157.5	161.1	141.1	-108.5	152.1	0	0	0	110.6
632	I	29.5	Very low	31.2	Very low	147 Å²	147	136 Å²	136	75%	0.754	77%	0.774	S	S	*	*			trans	-127.2	151.5	-159	-74.1	171	0	0	0	112
633	C	26.2	Very low	31.2	Very low	97 Å²	97	135.9 Å²	135.9	66%	0.655	77%	0.769	S	S	*	*			trans	86.9	137.3	154.9	-93.5	0	0	0	0	123.1
634	Q	31.8	Very low	31.5	Very low	181 Å²	181	131.6 Å²	131.6	85%	0.846	76%	0.759	S	S	*	*			trans	83.9	141.6	135.2	-72.7	164.5	15.4	0	0	121.6
635	T	28.5	Very low	31.3	Very low	127 Å²	127	137.5 Å²	137.5	78%	0.779	77%	0.77	S	S	*	*			trans	-112.8	161.1	179.5	52	0	0	0	0	110.7
636	P	35.4	Very low	31.5	Very low	122 Å²	122	136.7 Å²	136.7	79%	0.792	77%	0.767	S	S	*	*			trans	-128.3	151	146.6	35.3	-24.4	0	0	0	113.1
637	N	28.4	Very low	31.6	Very low	157 Å²	157	136.8 Å²	136.8	84%	0.84	77%	0.767	S	S	*	*			trans	-97.5	139.4	171.3	-66.6	-54.5	0	0	0	110.6
638	T	34.5	Very low	31.7	Very low	144 Å²	144	136.8 Å²	136.8	88%	0.883	76%	0.763	S	S	*	*			trans	-153.8	148.2	153.9	6.1	0	0	0	0	112.6
639	S	34.2	Very low	31.6	Very low	99 Å²	99	140.1 Å²	140.1	69%	0.692	77%	0.768	S	S	*	*			trans	-79.3	153.5	173.7	49.9	0	0	0	0	112
640	T	33.6	Very low	31.6	Very low	134 Å²	134	137.8 Å²	137.8	82%	0.822	76%	0.763	S	S	*	*				-172.6	173.1	70.5	24.5	0	0	0	0	111.4
641	P	35.2	Very low	31.8	Very low	100 Å²	100	136.3 Å²	136.3	65%	0.649	76%	0.763	S	S	*	*			trans	-113.8	-171.1	-161.2	41.4	-32.5	0	0	0	117.8
642	F	27.4	Very low	31.7	Very low	190 Å²	190	132.7 Å²	132.7	83%	0.833	75%	0.754	S	S	*	*			trans	80.1	140	-176.3	-56.7	-86.9	0	0	0	114.4
643	H	33	Very low	31.6	Very low	167 Å²	167	131.5 Å²	131.5	77%	0.773	76%	0.759	S	S	*	*			cis	-160	154.9	45.1	-133.9	-88.8	0	0	0	115.2
644	S	33.3	Very low	31.9	Very low	92 Å²	92	131.9 Å²	131.9	64%	0.643	77%	0.769	S	S	*	*			trans	28.6	118.6	154.3	49.7	0	0	0	0	125.7
645	Y	28	Very low	31.8	Very low	225 Å²	225	131.6 Å²	131.6	88%	0.882	77%	0.768	S	S	*	*				10.8	166.5	111.3	-83.6	-68.9	0	0	0	121.8
646	P	36	Very low	31.8	Very low	100 Å²	100	133.4 Å²	133.4	65%	0.649	77%	0.771	S	S	*	*			cis	-147.6	168.5	-5.8	37.1	-15.2	0	0	0	120.4
647	S	29.8	Very low	31.4	Very low	98 Å²	98	133.1 Å²	133.1	69%	0.685	77%	0.767	S	S	*	*			trans	75.4	165.7	134.5	69.9	0	0	0	0	125.6
648	T	31.2	Very low	31.5	Very low	116 Å²	116	134.8 Å²	134.8	71%	0.712	77%	0.766	S	S	*	*			trans	78.3	143.5	176.5	75	0	0	0	0	115.6
649	F	32	Very low	31.1	Very low	187 Å²	187	136 Å²	136	82%	0.82	76%	0.762	S	S	*	*			cis	-128.6	159.2	12.2	-98.3	-96.1	0	0	0	115
650	S	31.7	Very low	30.8	Very low	93 Å²	93	141.1 Å²	141.1	65%	0.65	77%	0.767	S	S	*	*			trans	-11.6	163.6	147.4	65.6	0	0	0	0	120.3
651	S	33.5	Very low	30.5	Very low	108 Å²	108	142 Å²	142	76%	0.755	76%	0.763	S	S	*	*			cis	-167.3	-174	6	30.9	0	0	0	0	108.2
652	S	32	Very low	30	Very low	102 Å²	102	144.1 Å²	144.1	71%	0.713	77%	0.774	S	S	*	*			cis	-150	131.3	10.7	43.5	0	0	0	0	108.8
653	S	28.7	Very low	30	Very low	122 Å²	122	140 Å²	140	85%	0.853	77%	0.768	S	S	*	*				65.4	92.9	82.4	-58.6	0	0	0	0	116.5
654	A	32.1	Very low	29.7	Very low	105 Å²	105	136.7 Å²	136.7	87%	0.868	76%	0.764	S	S	*	*			trans	-144.6	114.3	153.6	0	0	0	0	0	108.4
655	Q	29	Very low	29.4	Very low	176 Å²	176	139.7 Å²	139.7	82%	0.822	77%	0.772	S	S	*	*			trans	-96.5	137.4	-176.2	-69.2	174.5	-35.7	0	0	111.4
656	I	29.2	Very low	29.2	Very low	164 Å²	164	134.8 Å²	134.8	84%	0.841	76%	0.76	S	S	*	*			trans	-127.8	92.3	152.6	-60.5	-176.6	0	0	0	107.9
657	T	26.6	Very low	28.6	Very low	116 Å²	116	136 Å²	136	71%	0.712	77%	0.769	S	S	*	*			trans	-79.7	121.4	168.4	40.8	0	0	0	0	110.2
658	K	30.1	Very low	28.5	Very low	192 Å²	192	135.5 Å²	135.5	84%	0.835	77%	0.765	S	S	*	*			trans	-128.3	120.2	152.8	-80.4	-167.9	174.4	-177.9	0	109.7
659	H	26	Very low	28.2	Very low	171 Å²	171	138 Å²	138	79%	0.792	77%	0.774	S	S	*	*			trans	-54.9	148.9	154.9	-74.8	-131.3	0	0	0	108.8
660	Y	28.8	Very low	28	Very low	205 Å²	205	134.2 Å²	134.2	80%	0.804	77%	0.766	S	S	*	*				-167.8	149.5	105.2	-118.6	-98.2	0	0	0	112.3
661	Q	27.4	Very low	27.8	Very low	154 Å²	154	135.6 Å²	135.6	72%	0.72	78%	0.776	S	S	*	*			trans	35.9	110.2	163.8	-81.3	165	-39.3	0	0	120.4	S663	Q661-S663 PolarHBondContact O-N 3.48Å
662	T	24.2	Very low	27.5	Very low	144 Å²	144	135.5 Å²	135.5	88%	0.883	77%	0.774	S	S	*	*			trans	-47.9	125.3	136.5	47.4	0	0	0	0	111.6
663	S	28.5	Very low	27.3	Very low	102 Å²	102	135.4 Å²	135.4	71%	0.713	77%	0.773	S	S	*	*			trans	-127.8	89.3	169.7	48.6	0	0	0	0	110.9	Q661 L665	Q661-S663 PolarHBondContact O-N 3.48Å; S663-L665 PolarHBondContact O-N 3.14Å
664	S	24.9	Very low	27.2	Very low	98 Å²	98	140 Å²	140	69%	0.685	77%	0.772	S	S	*	*			trans	-77.2	99.2	175.6	53.6	0	0	0	0	111.5
665	L	26.8	Very low	27	Very low	155 Å²	155	142 Å²	142	81%	0.812	77%	0.768	S	S	*	*			trans	-107.3	116.7	154.4	-69.8	125.9	0	0	0	106	S663	S663-L665 PolarHBondContact O-N 3.14Å
666	I	24.7	Very low	27	Very low	122 Å²	122	139.5 Å²	139.5	63%	0.626	76%	0.764	S	S	*	*			cis	53.1	74.1	24.8	-44.8	-177.2	0	0	0	111
667	C	24.4	Very low	26.8	Very low	126 Å²	126	139 Å²	139	85%	0.851	76%	0.762	S	S	*	*			trans	-110	110.5	145.1	-164.8	0	0	0	0	106.1
668	C	25.9	Very low	26.9	Very low	88 Å²	88	140.6 Å²	140.6	60%	0.595	77%	0.766	S	S	*	*			trans	-93	131.3	177.2	-65.9	0	0	0	0	109.3
669	D	26.3	Very low	26.8	Very low	169 Å²	169	138.9 Å²	138.9	90%	0.904	76%	0.761	S	S	*	*			trans	-127.3	101.3	150.3	-111.7	-37.6	0	0	0	107.7
670	T	26.5	Very low	26.8	Very low	107 Å²	107	140 Å²	140	66%	0.656	76%	0.758	S	S	*	*			trans	-139.9	90.2	-172	45.5	0	0	0	0	111.3
671	S	29.3	Very low	26.7	Very low	122 Å²	122	135.7 Å²	135.7	85%	0.853	75%	0.749	S	S	*	*			trans	-84.8	117	143.4	39.1	0	0	0	0	106.7
672	C	25.3	Very low	26.8	Very low	106 Å²	106	136.7 Å²	136.7	72%	0.716	75%	0.753	S	S	*	*			cis	50.6	115.4	38.3	-64.3	0	0	0	0	111.7
673	S	27.9	Very low	26.9	Very low	100 Å²	100	134.1 Å²	134.1	70%	0.699	74%	0.742	S	S	*	*			cis	-139.9	162.3	8.2	-99.6	0	0	0	0	110
674	R	26.9	Very low	26.8	Very low	218 Å²	218	134.8 Å²	134.8	82%	0.823	75%	0.746	S	S	*	*				42	131	85	-91	-174.8	-169.9	156.8	1.8	112.8
675	D	28.1	Very low	26.8	Very low	146 Å²	146	134.4 Å²	134.4	78%	0.781	74%	0.743	S	S	*	*			cis	-137.8	175.1	29.4	-89.2	-55.7	0	0	0	116.8
676	V	28.5	Very low	26.9	Very low	124 Å²	124	134 Å²	134	75%	0.752	74%	0.74	S	S	*	*			trans	-112.9	146.9	177.1	163.2	0	0	0	0	109
677	L	26.3	Very low	27.1	Very low	153 Å²	153	136.1 Å²	136.1	80%	0.801	75%	0.752	S	S	*	*			trans	62.6	106.5	171	-74	163.8	0	0	0	117.5
678	L	27.9	Very low	27	Very low	151 Å²	151	137.4 Å²	137.4	79%	0.791	75%	0.751	S	S	*	*				170.5	155.5	109.5	-90.4	159.9	0	0	0	112.4
679	H	29.5	Very low	27.2	Very low	155 Å²	155	139.3 Å²	139.3	72%	0.718	77%	0.765	S	S	*	*			trans	34.9	119.5	159.9	-82.7	-144.3	0	0	0	120.3
680	R	25.8	Very low	27.2	Very low	195 Å²	195	140 Å²	140	74%	0.736	76%	0.763	S	S	*	*				99.9	107.2	54.4	178.3	-179.5	178.9	167	-0.5	112
681	N	25.2	Very low	27.2	Very low	115 Å²	115	141.2 Å²	141.2	62%	0.615	77%	0.771	S	S	*	*			trans	69	141.4	158	-65.1	7.3	0	0	0	120.2
682	Q	29.8	Very low	27.2	Very low	174 Å²	174	146.1 Å²	146.1	81%	0.813	77%	0.772	S	S	*	*			trans	66.2	151.3	148.5	-74.2	159.4	-41.5	0	0	118.4
683	S	25.8	Very low	27.2	Very low	91 Å²	91	146.7 Å²	146.7	64%	0.636	78%	0.775	S	S	*	*			cis	-175.6	139.5	-33.4	45.5	0	0	0	0	108.6
684	S	27.4	Very low	27.2	Very low	116 Å²	116	146 Å²	146	81%	0.811	77%	0.771	S	S	*	*			trans	66	165.3	177.3	94.1	0	0	0	0	113.4
685	S	24.9	Very low	27.5	Very low	89 Å²	89	142.1 Å²	142.1	62%	0.622	77%	0.771	S	S	*	*			cis	-170.1	-172.8	-24	47.8	0	0	0	0	109.3
686	I	28.9	Very low	27.5	Very low	146 Å²	146	141.7 Å²	141.7	75%	0.749	77%	0.769	S	S	*	*			trans	85.3	109.9	158.3	-61.4	158.1	0	0	0	118.7
687	L	28.9	Very low	27.7	Very low	167 Å²	167	145.1 Å²	145.1	87%	0.874	78%	0.777	S	S	*	*			trans	60	156.3	144	-94.5	61.3	0	0	0	125.1
688	N	22.4	Very low	27.7	Very low	153 Å²	153	146.3 Å²	146.3	82%	0.818	78%	0.778	S	S	*	*			trans	-80.9	159.8	179.3	-64.4	-31.1	0	0	0	113.8
689	S	29.8	Very low	27.7	Very low	129 Å²	129	148.5 Å²	148.5	90%	0.902	78%	0.781	S	S	*	*			trans	-150	144.1	142	-78.8	0	0	0	0	109.7
690	Q	25.4	Very low	27.4	Very low	183 Å²	183	150 Å²	150	86%	0.855	78%	0.781	S	S	*	*			trans	-107.2	141.4	179.7	-62.4	171	-77.6	0	0	110.6
691	T	28	Very low	27.6	Very low	133 Å²	133	146 Å²	146	82%	0.816	78%	0.777	S	S	*	*			trans	165.8	126.3	131.4	30.9	0	0	0	0	111.6
692	Y	28.8	Very low	27.6	Very low	225 Å²	225	146 Å²	146	88%	0.882	78%	0.778	S	S	*	*				-168.6	164.4	105.6	-124.5	-97.2	0	0	0	112.5
693	C	25.2	Very low	27.6	Very low	117 Å²	117	142.5 Å²	142.5	79%	0.791	77%	0.772	S	S	*	*			trans	-122.7	179.4	-169	-96.4	0	0	0	0	110.2
694	S	28.9	Very low	27.6	Very low	86 Å²	86	147.5 Å²	147.5	60%	0.601	79%	0.786	S	S	*	*			cis	-170.5	166.4	-16.3	177.4	0	0	0	0	107.2
695	V	31.6	Very low	27.5	Very low	137 Å²	137	148.5 Å²	148.5	83%	0.83	79%	0.791	S	S	*	*			trans	-141.3	144.1	148.1	-175.7	0	0	0	0	108.6
696	D	29	Very low	27.4	Very low	137 Å²	137	153.4 Å²	153.4	73%	0.733	80%	0.804	S	S	*	*			trans	-78.1	179.4	-166.7	-48.2	-85.6	0	0	0	113
697	E	31.9	Very low	27.4	Very low	196 Å²	196	152.8 Å²	152.8	92%	0.916	81%	0.811	S	S	*	*			cis	-129.8	165.3	31.8	-81.8	-174	96.9	0	0	116.3
698	Q	27	Very low	27.2	Very low	178 Å²	178	152.2 Å²	152.2	83%	0.832	81%	0.809	S	S	*	*			trans	-141	137.5	-165.3	-169.7	134.5	-65.7	0	0	111.2
699	F	27.5	Very low	27.6	Very low	196 Å²	196	155.1 Å²	155.1	86%	0.86	82%	0.815	S	S	*	*			trans	-154	116.4	150.1	-126.9	-81.5	0	0	0	112.9	V701	F699-V701 HydrophobicContact CD1-CG2 4.32Å; F699-V701 HydrophobicContact CE1-CG2 3.85Å
700	R	23.1	Very low	27.3	Very low	188 Å²	188	154 Å²	154	71%	0.709	81%	0.807	S	S	*	*			trans	-147.8	131.4	162.8	171.9	-179.5	169.6	121.8	2.3	106.9	D702	R700-D702 IonicContact CZ-OD1 3.21Å; R700-D702 IonicContact CZ-OD2 3.04Å; R700-D702 IonicContact NE-OD1 3.42Å; R700-D702 IonicContact NE-OD2 2.64Å; R700-D702 PolarHBondContact NE-OD2 3.3Å; R700-D702 IonicContact NH2-OD1 3.43Å; R700-D702 PolarHBondContact NH2-OD1 3.28Å; R700-D702 IonicContact NH2-OD2 3.81Å; R700-D702 PolarHBondContact NH2-OD2 3.26Å
701	V	30.9	Very low	27.6	Very low	109 Å²	109	152.4 Å²	152.4	66%	0.661	81%	0.81	S	S	*	*			trans	-130.9	125.4	166.8	178.2	0	0	0	0	106.9	F699	F699-V701 HydrophobicContact CD1-CG2 4.32Å; F699-V701 HydrophobicContact CE1-CG2 3.85Å
702	D	24.8	Very low	27.6	Very low	117 Å²	117	151.7 Å²	151.7	63%	0.626	81%	0.805	S	S	*	*			trans	-98.7	125.2	166.1	-63.5	-76.9	0	0	0	108.3	R700	R700-D702 IonicContact CZ-OD1 3.21Å; R700-D702 IonicContact CZ-OD2 3.04Å; R700-D702 IonicContact NE-OD1 3.42Å; R700-D702 IonicContact NE-OD2 2.64Å; R700-D702 PolarHBondContact NE-OD2 3.3Å; R700-D702 IonicContact NH2-OD1 3.43Å; R700-D702 PolarHBondContact NH2-OD1 3.28Å; R700-D702 IonicContact NH2-OD2 3.81Å; R700-D702 PolarHBondContact NH2-OD2 3.26Å
703	S	29.2	Very low	27.7	Very low	99 Å²	99	148.8 Å²	148.8	69%	0.692	80%	0.799	S	S	*	*			trans	-156.8	114.6	163.3	59.1	0	0	0	0	110.6
704	E	25.3	Very low	28	Very low	197 Å²	197	147.7 Å²	147.7	92%	0.921	79%	0.791	S	S	*	*			trans	20.2	116.1	152.1	-57.4	-179.1	126.2	0	0	119.3
705	C	25.3	Very low	28.1	Very low	136 Å²	136	152.2 Å²	152.2	92%	0.919	80%	0.8	S	S	*	*			trans	-155.3	128.9	133.4	-138	0	0	0	0	110.7
706	Q	24.3	Very low	28.2	Very low	193 Å²	193	154.6 Å²	154.6	90%	0.902	80%	0.799	S	S	*	*			trans	-81.9	129.4	176.5	-66	170.5	-52.6	0	0	110.4
707	C	27.8	Very low	28.2	Very low	132 Å²	132	152 Å²	152	89%	0.892	79%	0.792	S	S	*	*			trans	-152	117.8	158.7	-115.8	0	0	0	0	110
708	N	24.3	Very low	28.4	Very low	156 Å²	156	148.8 Å²	148.8	83%	0.834	78%	0.777	S	S	*	*			trans	-72.3	131.9	176.5	-69.6	-42.3	0	0	0	110.4
709	F	30.7	Very low	28.9	Very low	213 Å²	213	145.2 Å²	145.2	93%	0.934	76%	0.763	S	S	*	*			trans	-149	125.9	144.1	-112.2	-73.9	0	0	0	111.3
710	S	25.4	Very low	29.2	Very low	106 Å²	106	140.6 Å²	140.6	74%	0.741	75%	0.747	S	S	*	*			trans	-94.5	122.3	-170.9	-52.9	0	0	0	0	111.9
711	T	31.3	Very low	29.8	Very low	149 Å²	149	138.3 Å²	138.3	91%	0.914	74%	0.742	S	S	*	*			trans	-163.1	160.6	146.8	1.5	0	0	0	0	112.9
712	V	28	Very low	30	Very low	119 Å²	119	138.5 Å²	138.5	72%	0.721	74%	0.736	S	S	*	*			trans	-106.5	172.9	-156.7	-167.5	0	0	0	0	112.1
713	H	31.2	Very low	30.5	Very low	164 Å²	164	139 Å²	139	76%	0.759	73%	0.734	S	S	*	*			trans	91.2	160.7	162.1	-63.5	-72.3	0	0	0	118
714	P	30.9	Very low	30.9	Very low	94 Å²	94	140.3 Å²	140.3	61%	0.61	73%	0.73	S	S	*	*				-134.1	43.7	-71.9	38.2	-19.6	0	0	0	112.9	K716	P714-K716 PolarHBondContact O-N 3.06Å
715	F	31.8	Very low	31.5	Very low	181 Å²	181	138.4 Å²	138.4	79%	0.794	72%	0.718	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.2	-26.7	-163.3	-141	-103.4	0	0	0	116	S717 H718	F715-S717 PolarHBondContact O-N 3.43Å; F715-H718 PolarHBondContact O-N 3.46Å
716	K	32.3	Very low	31.8	Very low	187 Å²	187	134.8 Å²	134.8	81%	0.813	69%	0.694	S	S	*	*	H	α-helix	trans	-74.4	-23	-165.7	-141.8	170	-172.2	175.2	0	114.9	P714	P714-K716 PolarHBondContact O-N 3.06Å
717	S	30.3	Very low	32.4	Very low	83 Å²	83	131 Å²	131	58%	0.58	68%	0.679	S	S	*	*	H	α-helix	trans	-81.1	-21.9	179.3	59.7	0	0	0	0	113.6	F715	F715-S717 PolarHBondContact O-N 3.43Å
718	H	36	Very low	32.8	Very low	128 Å²	128	126.3 Å²	126.3	59%	0.593	65%	0.648	S	S	*	*	H	α-helix	trans	-77.3	-31	-178	-141.5	-92.3	0	0	0	112.3	F715 K721 Q722	F715-H718 PolarHBondContact O-N 3.46Å; H718-K721 PolarHBondContact O-N 3.15Å; H718-Q722 PolarHBondContact O-N 3.32Å
719	L	36.5	Very low	33.7	Very low	103 Å²	103	124.9 Å²	124.9	54%	0.539	63%	0.631	S	S	.	*	H	α-helix	trans	-66	-46.7	-179.9	-159.8	72.3	0	0	0	111.8	K721 Q722 Q723	L719-K721 VanDerWaalsContact C-N 3.34Å; L719-K721 PolarHBondContact O-N 3.09Å; L719-Q722 WeakPolarHBondContact O-CB 3.5Å; L719-Q722 PolarHBondContact O-N 3.13Å; L719-Q722 VanDerWaalsContact O-N 3.07Å; L719-Q723 PolarHBondContact O-N 2.93Å
720	N	33.6	Very low	34	Very low	99 Å²	99	123.6 Å²	123.6	53%	0.529	62%	0.62	S	S	.	*	H	α-helix	trans	-60.4	-42.8	177.7	-68.9	15.4	0	0	0	111.6	Q722 Q723 E724	N720-Q722 VanDerWaalsContact C-N 3.25Å; N720-Q722 PolarHBondContact O-N 2.99Å; N720-Q723 WeakPolarHBondContact O-CB 3.47Å; N720-Q723 PolarHBondContact O-N 3.35Å; N720-Q723 VanDerWaalsContact O-N 3.07Å; N720-E724 PolarHBondContact O-N 3.01Å
721	K	36.5	Very low	34.6	Very low	140 Å²	140	120.1 Å²	120.1	61%	0.609	60%	0.601	S	S	*	*	H	α-helix	trans	-64	-24.7	175.6	-85.2	-176.3	173.4	177.2	0	114	H718 L719 K725	H718-K721 PolarHBondContact O-N 3.15Å; L719-K721 VanDerWaalsContact C-N 3.34Å; L719-K721 PolarHBondContact O-N 3.09Å; K721-K725 WeakPolarHBondContact O-CG 3.48Å
722	Q	35.2	Very low	35.1	Very low	113 Å²	113	116.2 Å²	116.2	53%	0.528	57%	0.57	S	S	.	*	H	α-helix	trans	-77.3	-42.6	169.1	-74.8	-177.7	-44	0	0	111.2	H718 L719 N720 E724 K725 C726	H718-Q722 PolarHBondContact O-N 3.32Å; L719-Q722 WeakPolarHBondContact O-CB 3.5Å; L719-Q722 PolarHBondContact O-N 3.13Å; L719-Q722 VanDerWaalsContact O-N 3.07Å; N720-Q722 VanDerWaalsContact C-N 3.25Å; N720-Q722 PolarHBondContact O-N 2.99Å; Q722-E724 PolarHBondContact O-N 2.88Å; Q722-K725 PolarHBondContact O-N 3.07Å; Q722-C726 PolarHBondContact O-N 3.37Å; Q722-C726 PolarHBondContact O-SG 2.97Å; Q722-C726 VanDerWaalsContact O-SG 3.4Å
723	Q	34.7	Very low	35.6	Very low	126 Å²	126	113.2 Å²	113.2	59%	0.589	55%	0.549	S	S	*	.	H	α-helix	trans	-58.1	-43.7	177.9	-121.3	173.3	-7.5	0	0	112.6	L719 N720 C726 L727	L719-Q723 PolarHBondContact O-N 2.93Å; N720-Q723 WeakPolarHBondContact O-CB 3.47Å; N720-Q723 PolarHBondContact O-N 3.35Å; N720-Q723 VanDerWaalsContact O-N 3.07Å; Q723-C726 PolarHBondContact O-N 3.31Å; Q723-L727 WeakPolarHBondContact O-CG 3.48Å; Q723-L727 PolarHBondContact O-N 3.43Å
724	E	38.2	Very low	35.8	Very low	128 Å²	128	112.8 Å²	112.8	60%	0.598	55%	0.546	S	S	*	.	H	α-helix	trans	-61	-45.2	174.4	-69.7	177.8	141	0	0	112.4	N720 Q722 C726 L727 S728	N720-E724 PolarHBondContact O-N 3.01Å; Q722-E724 PolarHBondContact O-N 2.88Å; E724-C726 VanDerWaalsContact C-N 3.32Å; E724-C726 PolarHBondContact O-N 3.48Å; E724-L727 PolarHBondContact O-N 3.34Å; E724-S728 PolarHBondContact O-N 2.83Å
725	K	36.6	Very low	36.3	Very low	156 Å²	156	111.4 Å²	111.4	68%	0.678	53%	0.532	S	S	*	.	H	α-helix	trans	-63	-36.4	177.2	-75.4	-179	175.4	-172.9	0	112.5	K721 Q722 R729	K721-K725 WeakPolarHBondContact O-CG 3.48Å; Q722-K725 PolarHBondContact O-N 3.07Å; K725-R729 PolarHBondContact O-N 2.92Å
726	C	31.7	Very low	36.9	Very low	61 Å²	61	105.5 Å²	105.5	41%	0.412	51%	0.509	S	S	.	.	H	α-helix	trans	-70.6	-33.3	175.1	-67.9	0	0	0	0	112.7	Q722 Q723 E724 R730	Q722-C726 PolarHBondContact O-N 3.37Å; Q722-C726 PolarHBondContact O-SG 2.97Å; Q722-C726 VanDerWaalsContact O-SG 3.4Å; Q723-C726 PolarHBondContact O-N 3.31Å; E724-C726 VanDerWaalsContact C-N 3.32Å; E724-C726 PolarHBondContact O-N 3.48Å; C726-R730 PolarHBondContact O-N 3.14Å
727	L	36.9	Very low	37.1	Very low	113 Å²	113	101.2 Å²	101.2	59%	0.592	50%	0.498	S	S	*	.	H	α-helix	trans	-67.4	-42.3	172.4	-75.7	165.7	0	0	0	112	Q723 E724 R730	Q723-L727 WeakPolarHBondContact O-CG 3.48Å; Q723-L727 PolarHBondContact O-N 3.43Å; E724-L727 PolarHBondContact O-N 3.34Å; L727-R730 WeakPolarHBondContact O-CB 3.49Å; L727-R730 PolarHBondContact O-N 3.39Å
728	S	37.2	Very low	37.1	Very low	34 Å²	34	107.4 Å²	107.4	24%	0.238	51%	0.509	C	S	.	.	H	α-helix	trans	-63.2	-47	175.5	-168.2	0	0	0	0	112.2	E314 E724 R730 G731	E314-S728 VanDerWaalsContact CD-OG 3.24Å; E314-S728 WeakPolarHBondContact CG-OG 3.26Å; E314-S728 WeakPolarHBondContact OE1-CB 3.42Å; E314-S728 PolarHBondContact OE1-OG 3.19Å; E724-S728 PolarHBondContact O-N 2.83Å; S728-R730 PolarHBondContact O-N 3.16Å; S728-G731 WeakPolarHBondContact O-CA 3.34Å; S728-G731 PolarHBondContact O-N 2.91Å
729	R	43.3	Very low	37.1	Very low	125 Å²	125	110 Å²	110	47%	0.472	51%	0.514	S	S	.	.	H	α-helix	trans	-57.6	-32.8	175.1	-81.7	179.5	162.1	171.9	-9	113.3	S147 K725 G731 Y732 L733	S147-R729 VanDerWaalsContact OG-CZ 3.31Å; S147-R729 PolarHBondContact OG-NH1 2.89Å; K725-R729 PolarHBondContact O-N 2.92Å; R729-G731 PolarHBondContact O-N 3.2Å; R729-Y732 PolarHBondContact O-N 3.3Å; R729-L733 WeakPolarHBondContact O-CD1 3.46Å; R729-L733 PolarHBondContact O-N 3.3Å
730	R	37.2	Very low	36.7	Very low	186 Å²	186	111.3 Å²	111.3	70%	0.702	53%	0.528	S	S	*	.	H	α-helix	trans	-62.4	-24.1	171.9	-92	-179.6	168.8	-176.8	-2.2	113.6	C726 L727 S728	C726-R730 PolarHBondContact O-N 3.14Å; L727-R730 WeakPolarHBondContact O-CB 3.49Å; L727-R730 PolarHBondContact O-N 3.39Å; S728-R730 PolarHBondContact O-N 3.16Å
731	G	36.9	Very low	36.4	Very low	34 Å²	34	116.1 Å²	116.1	35%	0.351	54%	0.54	S	S	.	.	H	α-helix	trans	-65.6	-56.9	171	0	0	0	0	0	111.8	S728 R729 L733 K734	S728-G731 WeakPolarHBondContact O-CA 3.34Å; S728-G731 PolarHBondContact O-N 2.91Å; R729-G731 PolarHBondContact O-N 3.2Å; G731-L733 VanDerWaalsContact C-N 3.31Å; G731-L733 PolarHBondContact O-N 3.18Å; G731-K734 WeakPolarHBondContact O-CB 3.47Å; G731-K734 PolarHBondContact O-N 3.47Å; G731-K734 VanDerWaalsContact O-N 3.09Å
732	Y	41.5	Very low	36	Very low	66 Å²	66	117.3 Å²	117.3	26%	0.259	55%	0.553	S	S	.	*	H	α-helix	trans	-51.8	-45.1	176.8	-74.4	-99.7	0	0	0	112.9	C312 E314 C332 R729 K734 L735	C312-Y732 HydrophobicContact CB-CD1 3.7Å; C312-Y732 HydrophobicContact CB-CD2 3.92Å; C312-Y732 HydrophobicContact CB-CE1 3.3Å; C312-Y732 HydrophobicContact CB-CE2 3.54Å; C312-Y732 HydrophobicContact CB-CG 4.01Å; C312-Y732 PolarHBondContact SG-OH 3.09Å; C312-Y732 VanDerWaalsContact SG-OH 3.33Å; E314-Y732 HydrophobicContact CG-CE2 4.27Å; E314-Y732 VanDerWaalsContact OE2-CE2 3.29Å; E314-Y732 WeakPolarHBondContact OE2-CE2 3.25Å; E314-Y732 VanDerWaalsContact OE2-CZ 3.32Å; E314-Y732 PolarHBondContact OE2-OH 2.93Å; C332-Y732 VanDerWaalsContact SG-CE1 3.58Å; R729-Y732 PolarHBondContact O-N 3.3Å; Y732-K734 PolarHBondContact O-N 2.94Å; Y732-L735 PolarHBondContact O-N 2.91Å
733	L	38.6	Very low	35.9	Very low	56 Å²	56	119.4 Å²	119.4	29%	0.293	56%	0.56	S	S	.	*	H	α-helix	trans	-63.6	-22.3	-178.2	-90.4	91.2	0	0	0	114	R145 R729 G731 L735 T737	R145-L733 HydrophobicContact CB-CD2 4.39Å; R729-L733 WeakPolarHBondContact O-CD1 3.46Å; R729-L733 PolarHBondContact O-N 3.3Å; G731-L733 VanDerWaalsContact C-N 3.31Å; G731-L733 PolarHBondContact O-N 3.18Å; L733-L735 VanDerWaalsContact C-N 3.26Å; L733-L735 PolarHBondContact O-N 3.46Å; L733-T737 WeakPolarHBondContact O-CG2 3.25Å; L733-T737 PolarHBondContact O-N 3.31Å; L733-T737 PolarHBondContact O-OG1 3.43Å
734	K	36	Very low	35.8	Very low	156 Å²	156	121.7 Å²	121.7	68%	0.678	57%	0.568	S	S	*	*	H	α-helix	trans	-69	-20.5	177.2	-76	179.7	176.8	178	0	113.8	G731 Y732 T737	G731-K734 WeakPolarHBondContact O-CB 3.47Å; G731-K734 PolarHBondContact O-N 3.47Å; G731-K734 VanDerWaalsContact O-N 3.09Å; Y732-K734 PolarHBondContact O-N 2.94Å; K734-T737 WeakPolarHBondContact CA-OG1 3.49Å; K734-T737 PolarHBondContact O-OG1 3.42Å
735	L	42	Very low	35.5	Very low	64 Å²	64	122.5 Å²	122.5	34%	0.335	58%	0.582	S	S	.	*	H	α-helix	trans	-80.3	-47.7	176.1	-79	146.3	0	0	0	111.4	I311 W336 Y732 L733 T737 R738	I311-L735 HydrophobicContact CG2-CD1 3.53Å; I311-L735 WeakPolarHBondContact O-CD1 3.48Å; W336-L735 HydrophobicContact CZ3-CD2 4.15Å; Y732-L735 PolarHBondContact O-N 2.91Å; L733-L735 VanDerWaalsContact C-N 3.26Å; L733-L735 PolarHBondContact O-N 3.46Å; L735-T737 PolarHBondContact O-N 3.36Å; L735-R738 PolarHBondContact O-N 3.02Å
736	L	43.6	Very low	35.5	Very low	57 Å²	57	123.9 Å²	123.9	30%	0.298	59%	0.588	S	S	.	*	H	α-helix	trans	-69.8	-9.2	179	-70.9	176.8	0	0	0	114.7	L335	L335-L736 HydrophobicContact CD1-CD2 3.99Å; L335-L736 HydrophobicContact CD2-CD1 4.12Å; L335-L736 HydrophobicContact CD2-CD2 4.14Å; L335-L736 HydrophobicContact CD2-CG 4.25Å; L335-L736 HydrophobicContact CG-CD2 4.07Å
737	T	37	Very low	35.6	Very low	97 Å²	97	130.3 Å²	130.3	60%	0.595	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.9	-4.1	178.8	45.9	0	0	0	0	114	L733 K734 L735 R739	L733-T737 WeakPolarHBondContact O-CG2 3.25Å; L733-T737 PolarHBondContact O-N 3.31Å; L733-T737 PolarHBondContact O-OG1 3.43Å; K734-T737 WeakPolarHBondContact CA-OG1 3.49Å; K734-T737 PolarHBondContact O-OG1 3.42Å; L735-T737 PolarHBondContact O-N 3.36Å; T737-R739 VanDerWaalsContact C-N 3.26Å; T737-R739 PolarHBondContact O-N 2.8Å
738	R	31.2	Very low	35.5	Very low	214 Å²	214	138.3 Å²	138.3	81%	0.808	64%	0.642	S	S	*	*			trans	-75.8	69.1	175.6	-84.3	-174.1	165.1	-175.9	-2.1	112.8	L735 P740	L735-R738 PolarHBondContact O-N 3.02Å; R738-P740 WeakPolarHBondContact O-CD 3.41Å
739	R	34.6	Very low	35.5	Very low	183 Å²	183	143.5 Å²	143.5	69%	0.691	66%	0.662	S	S	*	*			trans	-56.3	126.5	158.5	-76.8	-174.1	174.2	-170.4	-1	108.8	T737 Y741	T737-R739 VanDerWaalsContact C-N 3.26Å; T737-R739 PolarHBondContact O-N 2.8Å; R739-Y741 PolarHBondContact O-N 3.27Å
740	P	27.8	Very low	35.1	Very low	129 Å²	129	144.5 Å²	144.5	84%	0.838	67%	0.672	S	S	*	*			trans	-80	65.7	177.8	33	-35.7	0	0	0	111.8	R738	R738-P740 WeakPolarHBondContact O-CD 3.41Å
741	Y	29	Very low	34.9	Very low	201 Å²	201	142.2 Å²	142.2	79%	0.788	67%	0.67	S	S	*	*			trans	-115.8	63.4	172.8	-103.2	-83.4	0	0	0	111.8	R739	R739-Y741 PolarHBondContact O-N 3.27Å
742	L	27.2	Very low	34.8	Very low	165 Å²	165	148.5 Å²	148.5	86%	0.864	69%	0.689	S	S	*	*			trans	-126.7	63.2	170.1	-99.8	168.1	0	0	0	110.1	K744	L742-K744 PolarHBondContact O-N 3.45Å
743	K	32.3	Very low	34.4	Very low	157 Å²	157	153.7 Å²	153.7	68%	0.683	72%	0.716	S	S	*	*			trans	-81.4	101.1	166.2	-161.4	-175.9	-175.6	-171.9	0	106.6	D503 T745	D503-K743 IonicContact OD2-NZ 3.87Å; D503-K743 PolarHBondContact OD2-NZ 3.2Å; K743-T745 PolarHBondContact O-N 3.17Å
744	K	33.5	Very low	34.1	Very low	173 Å²	173	160.2 Å²	160.2	75%	0.752	74%	0.744	S	S	*	*			trans	-45.4	124.5	-171.1	-70.5	172.1	176.3	172.3	0	113.1	L742	L742-K744 PolarHBondContact O-N 3.45Å
745	T	31.8	Very low	34	Very low	146 Å²	146	160.5 Å²	160.5	90%	0.896	75%	0.749	S	S	*	*			trans	-60.9	129.4	138.9	37.5	0	0	0	0	107.8	K743	K743-T745 PolarHBondContact O-N 3.17Å
746	K	36.9	Very low	33.4	Very low	184 Å²	184	167.9 Å²	167.9	80%	0.8	78%	0.781	S	S	*	*			trans	-130.1	113.2	163.9	-113.9	-159.1	170.1	-158.7	0	106.2
747	Q	33.2	Very low	32.5	Very low	196 Å²	196	177.2 Å²	177.2	92%	0.916	82%	0.821	S	S	*	*			trans	-61.6	134.2	160.5	-74.4	165.3	-72.4	0	0	108.4
748	K	36	Very low	32.1	Very low	281 Å²	281	184.5 Å²	184.5	100%	1.222	84%	0.841	S	S	*	*			trans	-144.6	0	134.9	-150.1	-168.7	179.4	-165.3	0	107.6

Retrieved 748 of 748 residues in 973.6 ms (Link to these results)

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