A0A5K4F1K8_SCHMA Loading...

Glypican AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4F1K8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 657 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	53.3	Low	58.7	Low	199 Å²	199	140.4 Å²	140.4	98%	0.98	67%	0.666	S	S	*	*				0	-42.6	0	-84.4	-169	167.8	0	0	113.5	W3 F4	M1-W3 VanDerWaalsContact C-N 3.33Å; M1-W3 PolarHBondContact O-N 3.34Å; M1-F4 PolarHBondContact O-N 3.25Å
2	F	52.3	Low	58.6	Low	175 Å²	175	134.7 Å²	134.7	77%	0.768	65%	0.652	S	S	*	*	H	α-helix	trans	-58.7	-35	179.8	-101.8	-89.4	0	0	0	115.6	F4 F5 L6	F2-F4 VanDerWaalsContact C-N 3.34Å; F2-F4 PolarHBondContact O-N 3.48Å; F2-F5 PolarHBondContact O-N 3.33Å; F2-L6 PolarHBondContact O-N 2.76Å
3	W	57.4	Low	58	Low	230 Å²	230	132.5 Å²	132.5	87%	0.871	64%	0.641	S	S	*	*	H	α-helix	trans	-69.8	-27.5	178.7	-81.9	65.3	0	0	0	114	M1 L7	M1-W3 VanDerWaalsContact C-N 3.33Å; M1-W3 PolarHBondContact O-N 3.34Å; W3-L7 PolarHBondContact O-N 2.92Å
4	F	64.3	Low	57.6	Low	165 Å²	165	133.6 Å²	133.6	72%	0.724	64%	0.641	S	S	*	*	H	α-helix	trans	-73.2	-34.1	177.4	-97.3	-84.3	0	0	0	112.4	M1 F2 S8	M1-F4 PolarHBondContact O-N 3.25Å; F2-F4 VanDerWaalsContact C-N 3.34Å; F2-F4 PolarHBondContact O-N 3.48Å; F4-S8 WeakPolarHBondContact O-CB 3.17Å; F4-S8 PolarHBondContact O-N 3.36Å; F4-S8 VanDerWaalsContact O-N 3.11Å; F4-S8 PolarHBondContact O-OG 3.17Å
5	F	63.4	Low	57.1	Low	147 Å²	147	135.2 Å²	135.2	65%	0.645	64%	0.644	S	S	*	*	H	α-helix	trans	-70.1	-39.9	176	-79.8	-75.8	0	0	0	112	F2 S8 F9	F2-F5 PolarHBondContact O-N 3.33Å; F5-S8 PolarHBondContact O-N 3.16Å; F5-F9 PolarHBondContact O-N 3.43Å; F5-F9 VanDerWaalsContact O-N 3.07Å
6	L	56.8	Low	56.3	Low	115 Å²	115	134.3 Å²	134.3	60%	0.602	64%	0.639	S	S	*	*	H	α-helix	trans	-66.4	-39.3	177.5	-122.9	117.6	0	0	0	112.3	F2 F9 L10	F2-L6 PolarHBondContact O-N 2.76Å; L6-F9 PolarHBondContact O-N 3.11Å; L6-L10 HydrophobicContact CD2-CD1 4.41Å; L6-L10 WeakPolarHBondContact O-CG 3.33Å; L6-L10 PolarHBondContact O-N 3.19Å
7	L	61.7	Low	55.8	Low	111 Å²	111	132.6 Å²	132.6	58%	0.581	63%	0.634	S	S	*	*	H	α-helix	trans	-67.9	-37.5	177.2	-145.6	78.6	0	0	0	111.6	W3 L10 T11	W3-L7 PolarHBondContact O-N 2.92Å; L7-L10 PolarHBondContact O-N 3.15Å; L7-T11 WeakPolarHBondContact O-CG2 3.42Å; L7-T11 PolarHBondContact O-N 3.4Å; L7-T11 PolarHBondContact O-OG1 2.72Å
8	S	63.2	Low	54.8	Low	68 Å²	68	132.4 Å²	132.4	48%	0.476	63%	0.626	S	S	.	*	H	α-helix	trans	-66.1	-40.5	177.9	-57.7	0	0	0	0	112	F4 F5 T11 S12	F4-S8 WeakPolarHBondContact O-CB 3.17Å; F4-S8 PolarHBondContact O-N 3.36Å; F4-S8 VanDerWaalsContact O-N 3.11Å; F4-S8 PolarHBondContact O-OG 3.17Å; F5-S8 PolarHBondContact O-N 3.16Å; S8-T11 WeakPolarHBondContact CA-OG1 2.81Å; S8-T11 PolarHBondContact O-N 3.45Å; S8-T11 PolarHBondContact O-OG1 2.57Å; S8-S12 PolarHBondContact O-N 3.09Å
9	F	58.4	Low	54.1	Low	155 Å²	155	127.2 Å²	127.2	68%	0.68	61%	0.611	S	S	*	*	H	α-helix	trans	-65.7	-44.2	175.5	-111.5	-87.6	0	0	0	112.2	F5 L6 T11 S12 E13	F5-F9 PolarHBondContact O-N 3.43Å; F5-F9 VanDerWaalsContact O-N 3.07Å; L6-F9 PolarHBondContact O-N 3.11Å; F9-T11 VanDerWaalsContact C-N 3.34Å; F9-T11 PolarHBondContact O-N 3.26Å; F9-S12 PolarHBondContact O-N 3.09Å; F9-E13 PolarHBondContact O-N 3.34Å; F9-E13 VanDerWaalsContact O-N 3.08Å
10	L	55.2	Low	53.2	Low	110 Å²	110	125.4 Å²	125.4	58%	0.576	61%	0.605	S	S	*	*	H	α-helix	trans	-66.6	-35	177.3	-73.2	170.2	0	0	0	112.1	L6 L7 F14	L6-L10 HydrophobicContact CD2-CD1 4.41Å; L6-L10 WeakPolarHBondContact O-CG 3.33Å; L6-L10 PolarHBondContact O-N 3.19Å; L7-L10 PolarHBondContact O-N 3.15Å; L10-F14 VanDerWaalsContact O-CB 3.27Å; L10-F14 WeakPolarHBondContact O-CB 3.42Å; L10-F14 PolarHBondContact O-N 2.8Å
11	T	59.5	Low	52.4	Low	69 Å²	69	127 Å²	127	42%	0.423	61%	0.613	S	S	.	*	H	α-helix	trans	-67.3	-37.3	173.6	53.3	0	0	0	0	112.2	L7 S8 F9 F14 F15	L7-T11 WeakPolarHBondContact O-CG2 3.42Å; L7-T11 PolarHBondContact O-N 3.4Å; L7-T11 PolarHBondContact O-OG1 2.72Å; S8-T11 WeakPolarHBondContact CA-OG1 2.81Å; S8-T11 PolarHBondContact O-N 3.45Å; S8-T11 PolarHBondContact O-OG1 2.57Å; F9-T11 VanDerWaalsContact C-N 3.34Å; F9-T11 PolarHBondContact O-N 3.26Å; T11-F14 PolarHBondContact O-N 2.97Å; T11-F15 WeakPolarHBondContact O-CB 3.36Å; T11-F15 WeakPolarHBondContact O-CD2 3.39Å; T11-F15 PolarHBondContact O-N 3.38Å
12	S	57.3	Low	51.3	Low	72 Å²	72	123 Å²	123	50%	0.503	59%	0.594	S	S	.	*	H	α-helix	trans	-63.6	-47.4	177.5	-175.8	0	0	0	0	111.5	S8 F9 F15 H16	S8-S12 PolarHBondContact O-N 3.09Å; F9-S12 PolarHBondContact O-N 3.09Å; S12-F15 PolarHBondContact O-N 2.96Å; S12-H16 WeakPolarHBondContact O-CB 3.39Å; S12-H16 PolarHBondContact O-N 3.41Å
13	E	51.3	Low	50.3	Low	107 Å²	107	123.8 Å²	123.8	50%	0.5	59%	0.592	S	S	.	*	H	α-helix	trans	-64.8	-40.7	176.2	-77.8	-65.2	149.2	0	0	111.8	F9 F15 H16 I17	F9-E13 PolarHBondContact O-N 3.34Å; F9-E13 VanDerWaalsContact O-N 3.08Å; E13-F15 PolarHBondContact O-N 3.2Å; E13-H16 PolarHBondContact O-N 3.2Å; E13-H16 VanDerWaalsContact O-N 3.15Å; E13-I17 WeakPolarHBondContact O-CG1 3.18Å; E13-I17 PolarHBondContact O-N 3.45Å
14	F	52.1	Low	49.1	Very low	147 Å²	147	118.5 Å²	118.5	65%	0.645	58%	0.58	S	S	*	*	H	α-helix	trans	-66.4	-38.5	177.1	-147.8	-87.7	0	0	0	111.6	L10 T11 H16 Y18	L10-F14 VanDerWaalsContact O-CB 3.27Å; L10-F14 WeakPolarHBondContact O-CB 3.42Å; L10-F14 PolarHBondContact O-N 2.8Å; T11-F14 PolarHBondContact O-N 2.97Å; F14-H16 VanDerWaalsContact C-N 3.32Å; F14-Y18 HydrophobicContact CE1-CD2 4.3Å; F14-Y18 WeakPolarHBondContact O-CA 3.44Å; F14-Y18 WeakPolarHBondContact O-CB 3.48Å; F14-Y18 PolarHBondContact O-N 2.72Å
15	F	50.5	Low	47.5	Very low	158 Å²	158	114.3 Å²	114.3	69%	0.693	57%	0.57	S	S	*	*	H	α-helix	trans	-70.6	-26.4	172.9	-85.1	-68.9	0	0	0	112.9	T11 S12 E13 G19	T11-F15 WeakPolarHBondContact O-CB 3.36Å; T11-F15 WeakPolarHBondContact O-CD2 3.39Å; T11-F15 PolarHBondContact O-N 3.38Å; S12-F15 PolarHBondContact O-N 2.96Å; E13-F15 PolarHBondContact O-N 3.2Å; F15-G19 WeakPolarHBondContact O-CA 3.4Å; F15-G19 PolarHBondContact O-N 3.01Å
16	H	44.8	Very low	45.7	Very low	120 Å²	120	117.9 Å²	117.9	56%	0.556	58%	0.579	S	S	*	*	H	α-helix	trans	-75.1	-44.6	175.1	-144.3	-66.4	0	0	0	111.4	S12 E13 F14 G19 D20	S12-H16 WeakPolarHBondContact O-CB 3.39Å; S12-H16 PolarHBondContact O-N 3.41Å; E13-H16 PolarHBondContact O-N 3.2Å; E13-H16 VanDerWaalsContact O-N 3.15Å; F14-H16 VanDerWaalsContact C-N 3.32Å; H16-G19 PolarHBondContact O-N 3.06Å; H16-D20 IonicContact ND1-OD2 2.66Å; H16-D20 PolarHBondContact O-N 2.82Å
17	I	46.8	Very low	44.5	Very low	107 Å²	107	117.2 Å²	117.2	55%	0.549	58%	0.582	S	S	.	*	H	α-helix	trans	-69	-42.1	176.3	-63.7	169.5	0	0	0	110.6	E13 G19 D20 M21	E13-I17 WeakPolarHBondContact O-CG1 3.18Å; E13-I17 PolarHBondContact O-N 3.45Å; I17-G19 VanDerWaalsContact C-N 3.33Å; I17-D20 PolarHBondContact O-N 3.04Å; I17-M21 PolarHBondContact O-N 3.3Å
18	Y	38.1	Very low	43	Very low	129 Å²	129	118 Å²	118	51%	0.506	58%	0.584	S	S	.	*	H	α-helix	trans	-71.6	-31.3	175.4	-153.8	-94.4	0	0	0	111.6	F14 M21 M22	F14-Y18 HydrophobicContact CE1-CD2 4.3Å; F14-Y18 WeakPolarHBondContact O-CA 3.44Å; F14-Y18 WeakPolarHBondContact O-CB 3.48Å; F14-Y18 PolarHBondContact O-N 2.72Å; Y18-M21 PolarHBondContact O-N 2.96Å; Y18-M22 HydrophobicContact CD1-CG 3.77Å; Y18-M22 HydrophobicContact CE1-CG 3.58Å; Y18-M22 WeakPolarHBondContact O-CB 3.32Å; Y18-M22 WeakPolarHBondContact O-CG 3.44Å; Y18-M22 PolarHBondContact O-N 3.13Å
19	G	40.8	Very low	41.5	Very low	32 Å²	32	122.1 Å²	122.1	33%	0.33	60%	0.601	S	S	.	*	H	α-helix	trans	-67.2	-35.4	173.9	0	0	0	0	0	112.9	F15 H16 I17 M22 R23	F15-G19 WeakPolarHBondContact O-CA 3.4Å; F15-G19 PolarHBondContact O-N 3.01Å; H16-G19 PolarHBondContact O-N 3.06Å; I17-G19 VanDerWaalsContact C-N 3.33Å; G19-M22 CarbonylContact O-C 2.98Å; G19-R23 WeakPolarHBondContact O-CG 3.38Å; G19-R23 PolarHBondContact O-N 2.84Å
20	D	36.7	Very low	40.5	Very low	92 Å²	92	117.3 Å²	117.3	49%	0.492	59%	0.586	S	S	.	*	H	α-helix	trans	-78.9	-33.8	173.3	-84.6	-19.8	0	0	0	112.5	H16 I17 M22	H16-D20 IonicContact ND1-OD2 2.66Å; H16-D20 PolarHBondContact O-N 2.82Å; I17-D20 PolarHBondContact O-N 3.04Å; D20-M22 VanDerWaalsContact C-N 3.31Å; D20-M22 PolarHBondContact O-N 2.89Å
21	M	35.6	Very low	39.6	Very low	159 Å²	159	116.8 Å²	116.8	78%	0.783	59%	0.591	S	S	*	*	H	α-helix	trans	-68.2	-30.7	170	-107.6	-173.6	168.9	0	0	112.8	I17 Y18	I17-M21 PolarHBondContact O-N 3.3Å; Y18-M21 PolarHBondContact O-N 2.96Å
22	M	32	Very low	38.8	Very low	115 Å²	115	123.9 Å²	123.9	57%	0.567	61%	0.611	S	S	*	*	H	α-helix	trans	-102.1	3.9	-179.6	-65.6	-69	-83.1	0	0	114	Y18 G19 D20 N24	Y18-M22 HydrophobicContact CD1-CG 3.77Å; Y18-M22 HydrophobicContact CE1-CG 3.58Å; Y18-M22 WeakPolarHBondContact O-CB 3.32Å; Y18-M22 WeakPolarHBondContact O-CG 3.44Å; Y18-M22 PolarHBondContact O-N 3.13Å; G19-M22 CarbonylContact O-C 2.98Å; D20-M22 VanDerWaalsContact C-N 3.31Å; D20-M22 PolarHBondContact O-N 2.89Å; M22-N24 PolarHBondContact O-N 3.31Å
23	R	30.8	Very low	38.4	Very low	192 Å²	192	122.8 Å²	122.8	73%	0.725	60%	0.599	S	S	*	*			trans	-71.2	59.8	148.4	-87.9	-178.1	-174.4	168.9	4.7	108.3	G19 P25	G19-R23 WeakPolarHBondContact O-CG 3.38Å; G19-R23 PolarHBondContact O-N 2.84Å; R23-P25 WeakPolarHBondContact O-CD 3.42Å
24	N	31.3	Very low	38.7	Very low	119 Å²	119	122.6 Å²	122.6	64%	0.636	60%	0.601	S	S	*	*			trans	-40.3	111.5	139.6	-107.7	-39.8	0	0	0	105.1	M22 R26	M22-N24 PolarHBondContact O-N 3.31Å; N24-R26 PolarHBondContact O-N 2.7Å
25	P	32	Very low	38.9	Very low	77 Å²	77	116.8 Å²	116.8	50%	0.5	58%	0.577	S	S	.	*			trans	-55.7	107.9	162.7	24.2	-28.7	0	0	0	102.9	R23 P27	R23-P25 WeakPolarHBondContact O-CD 3.42Å; P25-P27 VanDerWaalsContact O-CD 3.31Å; P25-P27 WeakPolarHBondContact O-CD 3.18Å
26	R	24.7	Very low	39.4	Very low	221 Å²	221	114 Å²	114	83%	0.834	57%	0.568	S	S	*	*			trans	-46.8	118.7	170.8	-73.1	-178.6	-173.5	180	2	103.3	N24 M28	N24-R26 PolarHBondContact O-N 2.7Å; R26-M28 PolarHBondContact O-N 3.1Å
27	P	31.7	Very low	40.3	Very low	102 Å²	102	110 Å²	110	66%	0.662	55%	0.551	S	S	*	*			trans	-53.4	111.6	-179.9	18	-28.7	0	0	0	105.3	P25 N29	P25-P27 VanDerWaalsContact O-CD 3.31Å; P25-P27 WeakPolarHBondContact O-CD 3.18Å; P27-N29 PolarHBondContact O-N 3.07Å
28	M	30.9	Very low	41.1	Very low	126 Å²	126	105.2 Å²	105.2	62%	0.621	53%	0.527	S	S	*	.			trans	-65.3	91.9	-170.9	-90.2	-177.4	70.4	0	0	106.7	R26 S30	R26-M28 PolarHBondContact O-N 3.1Å; M28-S30 PolarHBondContact O-N 3.3Å
29	N	30.8	Very low	42.6	Very low	156 Å²	156	99.3 Å²	99.3	83%	0.834	50%	0.504	S	S	*	.			trans	30.3	42.7	164.3	-109.5	0.4	0	0	0	116.3	P27 S31	P27-N29 PolarHBondContact O-N 3.07Å; N29-S31 PolarHBondContact O-N 3.25Å
30	S	37.4	Very low	43.8	Very low	54 Å²	54	103.9 Å²	103.9	38%	0.378	51%	0.512	S	S	.	.			trans	-75.7	70.6	161.2	60.1	0	0	0	0	105.9	M28 R32	M28-S30 PolarHBondContact O-N 3.3Å; S30-R32 PolarHBondContact O-N 3.24Å
31	S	37.5	Very low	45	Very low	98 Å²	98	101 Å²	101	69%	0.685	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	104	177.7	54.9	0	0	0	0	108	N29	N29-S31 PolarHBondContact O-N 3.25Å
32	R	42.4	Very low	46.3	Very low	219 Å²	219	93.7 Å²	93.7	83%	0.826	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.2	54.6	158.7	-157.2	-175	-90.5	-174.2	-9.1	115.1	S30 N37	S30-R32 PolarHBondContact O-N 3.24Å; R32-N37 PolarHBondContact O-ND2 3.03Å
33	I	49.1	Very low	47.8	Very low	49 Å²	49	89.2 Å²	89.2	25%	0.251	44%	0.441	S	S	.	.			trans	-114.4	103.3	165.1	-44.3	-176	0	0	0	109	N37 Y396	I33-N37 HydrophobicContact CB-CB 4.46Å; I33-N37 HydrophobicContact CG2-CB 4.05Å; I33-Y396 HydrophobicContact CG2-CD1 4.39Å; I33-Y396 HydrophobicContact CG2-CE1 3.56Å
34	D	56.9	Low	49.4	Very low	102 Å²	102	85 Å²	85	55%	0.545	44%	0.437	S	S	.	.	S	Bend	trans	-115.5	173.3	173.3	179.7	9.4	0	0	0	107.3	L36 N37 L38	D34-L36 PolarHBondContact O-N 3.08Å; D34-N37 WeakPolarHBondContact O-CA 3.46Å; D34-N37 WeakPolarHBondContact O-CB 3.5Å; D34-N37 PolarHBondContact O-N 2.93Å; D34-L38 PolarHBondContact O-N 2.73Å
35	N	56.9	Low	50.8	Low	25 Å²	25	83.6 Å²	83.6	13%	0.134	42%	0.423	C	S	.	.	H	α-helix	trans	-42.3	-37.5	170.6	-94.8	-54.2	0	0	0	113.1	L38 C39 Y396 S398	N35-L38 WeakPolarHBondContact O-CB 3.47Å; N35-L38 PolarHBondContact O-N 3.28Å; N35-C39 PolarHBondContact O-N 3.34Å; N35-C39 VanDerWaalsContact O-N 3.12Å; N35-Y396 PolarHBondContact ND2-O 2.84Å; N35-Y396 VanDerWaalsContact ND2-O 3.07Å; N35-Y396 PolarHBondContact OD1-O 3.48Å; N35-S398 PolarHBondContact ND2-N 3.15Å; N35-S398 PolarHBondContact ND2-OG 3.28Å
36	L	60.1	Low	52	Low	100 Å²	100	85.5 Å²	85.5	52%	0.524	42%	0.42	S	S	.	.	H	α-helix	trans	-66.3	-38.5	176.5	-164.4	75.6	0	0	0	112.7	D34 R40	D34-L36 PolarHBondContact O-N 3.08Å; L36-R40 WeakPolarHBondContact O-CB 3.49Å; L36-R40 PolarHBondContact O-N 2.99Å
37	N	62.9	Low	53.4	Low	36 Å²	36	82.3 Å²	82.3	19%	0.193	42%	0.42	C	S	.	.	H	α-helix	trans	-75	-35.8	178.5	-148.9	41.4	0	0	0	111.1	R32 I33 D34 C39 R40 T41	R32-N37 PolarHBondContact O-ND2 3.03Å; I33-N37 HydrophobicContact CB-CB 4.46Å; I33-N37 HydrophobicContact CG2-CB 4.05Å; D34-N37 WeakPolarHBondContact O-CA 3.46Å; D34-N37 WeakPolarHBondContact O-CB 3.5Å; D34-N37 PolarHBondContact O-N 2.93Å; N37-C39 PolarHBondContact O-N 3.05Å; N37-R40 PolarHBondContact O-N 2.75Å; N37-R40 PolarHBondContact OD1-NH1 3.49Å; N37-T41 WeakPolarHBondContact O-CB 3.43Å; N37-T41 PolarHBondContact O-N 3.41Å; N37-T41 PolarHBondContact O-OG1 2.61Å; N37-T41 VanDerWaalsContact O-OG1 3.04Å
38	L	65.4	Low	54.5	Low	6 Å²	6	79 Å²	79	3%	0.031	40%	0.4	C	S	.	.	H	α-helix	trans	-50.7	-56.9	168.5	161.8	54	0	0	0	111.2	D34 N35 R40 T41 L42 M55 L220 F251	D34-L38 PolarHBondContact O-N 2.73Å; N35-L38 WeakPolarHBondContact O-CB 3.47Å; N35-L38 PolarHBondContact O-N 3.28Å; L38-R40 VanDerWaalsContact C-N 3.33Å; L38-R40 PolarHBondContact O-N 2.96Å; L38-T41 PolarHBondContact O-N 3.04Å; L38-L42 HydrophobicContact CD1-CD1 3.62Å; L38-L42 HydrophobicContact CD1-CG 4.23Å; L38-L42 PolarHBondContact O-N 3.28Å; L38-L42 VanDerWaalsContact O-N 3.08Å; L38-M55 HydrophobicContact CD1-CE 2.99Å; L38-M55 HydrophobicContact CD1-CG 4.36Å; L38-M55 HydrophobicContact CD1-SD 3.09Å; L38-M55 WeakPolarHBondContact CD1-SD 3.14Å; L38-M55 HydrophobicContact CD2-CE 4.31Å; L38-M55 HydrophobicContact CG-CE 4.22Å; L38-L220 HydrophobicContact CD2-CD2 4.17Å; L38-F251 HydrophobicContact CD2-CE2 4.4Å; L38-F251 HydrophobicContact CD2-CZ 4.02Å
39	C	68.3	Low	55.9	Low	5 Å²	5	83 Å²	83	3%	0.034	41%	0.408	C	S	.	.	H	α-helix	trans	-62.1	-40.2	178.7	173.6	0	0	0	0	112.4	N35 N37 T41 L42 S43 C239	N35-C39 PolarHBondContact O-N 3.34Å; N35-C39 VanDerWaalsContact O-N 3.12Å; N37-C39 PolarHBondContact O-N 3.05Å; C39-T41 PolarHBondContact O-N 3.24Å; C39-L42 PolarHBondContact O-N 3.02Å; C39-S43 VanDerWaalsContact O-CB 3.29Å; C39-S43 WeakPolarHBondContact O-CB 3.45Å; C39-S43 PolarHBondContact O-N 3.49Å; C39-S43 PolarHBondContact O-OG 3.19Å; C39-C239 HydrophobicContact CB-CB 3.49Å; C39-C239 VanDerWaalsContact CB-CB 3.49Å; C39-C239 WeakPolarHBondContact CB-SG 3.27Å; C39-C239 WeakPolarHBondContact SG-CA 3.39Å; C39-C239 WeakPolarHBondContact SG-CB 3.36Å; C39-C239 CovalentContact SG-SG 2.01Å; C39-C239 PolarHBondContact SG-SG 3.28Å
40	R	65.9	Low	57.8	Low	129 Å²	129	80.5 Å²	80.5	49%	0.487	39%	0.394	S	S	.	.	H	α-helix	trans	-64.7	-37.8	178.1	-168.4	-173.3	-66.6	147.6	-4	112.9	L36 N37 L38 S43 T44	L36-R40 WeakPolarHBondContact O-CB 3.49Å; L36-R40 PolarHBondContact O-N 2.99Å; N37-R40 PolarHBondContact O-N 2.75Å; N37-R40 PolarHBondContact OD1-NH1 3.49Å; L38-R40 VanDerWaalsContact C-N 3.33Å; L38-R40 PolarHBondContact O-N 2.96Å; R40-S43 WeakPolarHBondContact CA-OG 3.25Å; R40-S43 PolarHBondContact O-OG 3.47Å; R40-T44 PolarHBondContact O-N 3.1Å; R40-T44 VanDerWaalsContact O-N 3.12Å; R40-T44 PolarHBondContact O-OG1 3.14Å
41	T	63.3	Low	59.6	Low	32 Å²	32	77.9 Å²	77.9	20%	0.196	38%	0.376	C	S	.	.	H	α-helix	trans	-66.5	-50.1	176.1	-62.2	0	0	0	0	109.7	N37 L38 C39 S43 T44 Y45	N37-T41 WeakPolarHBondContact O-CB 3.43Å; N37-T41 PolarHBondContact O-N 3.41Å; N37-T41 PolarHBondContact O-OG1 2.61Å; N37-T41 VanDerWaalsContact O-OG1 3.04Å; L38-T41 PolarHBondContact O-N 3.04Å; C39-T41 PolarHBondContact O-N 3.24Å; T41-S43 VanDerWaalsContact C-N 3.27Å; T41-S43 PolarHBondContact O-N 3.13Å; T41-T44 WeakPolarHBondContact O-CB 3.36Å; T41-T44 PolarHBondContact O-N 3.36Å; T41-T44 VanDerWaalsContact O-N 3.14Å; T41-Y45 HydrophobicContact CG2-CD2 4.06Å; T41-Y45 HydrophobicContact CG2-CE2 4.01Å; T41-Y45 WeakPolarHBondContact O-CD2 3.37Å; T41-Y45 PolarHBondContact O-N 3.36Å
42	L	62.9	Low	61.6	Low	5 Å²	5	74.8 Å²	74.8	3%	0.026	35%	0.35	C	S	.	.	H	α-helix	trans	-65.6	-31.4	-179.5	-71.4	176.1	0	0	0	113	L38 C39 Y45 R46 Y52 M55 S221	L38-L42 HydrophobicContact CD1-CD1 3.62Å; L38-L42 HydrophobicContact CD1-CG 4.23Å; L38-L42 PolarHBondContact O-N 3.28Å; L38-L42 VanDerWaalsContact O-N 3.08Å; C39-L42 PolarHBondContact O-N 3.02Å; L42-Y45 CarbonylContact O-C 3.59Å; L42-Y45 PolarHBondContact O-N 2.9Å; L42-R46 PolarHBondContact O-N 3.25Å; L42-Y52 HydrophobicContact CD1-CD1 4.45Å; L42-Y52 HydrophobicContact CD1-CE1 4.09Å; L42-Y52 HydrophobicContact CD2-CD1 3.43Å; L42-Y52 VanDerWaalsContact CD2-CD1 3.43Å; L42-Y52 HydrophobicContact CD2-CE1 3.44Å; L42-Y52 VanDerWaalsContact CD2-CE1 3.44Å; L42-Y52 HydrophobicContact CD2-CG 4.24Å; L42-Y52 HydrophobicContact CG-CE1 4.31Å; L42-M55 HydrophobicContact CD1-SD 3.67Å; L42-M55 HydrophobicContact CD2-CB 4.35Å; L42-M55 HydrophobicContact CD2-SD 3.91Å; L42-M55 HydrophobicContact CG-SD 3.82Å; L42-S221 WeakPolarHBondContact CD1-OG 3.17Å
43	S	63.2	Low	63.7	Low	20 Å²	20	67.2 Å²	67.2	14%	0.14	32%	0.323	C	S	.	.	H	α-helix	trans	-67.5	-38.6	172.9	69.1	0	0	0	0	114.4	C39 R40 T41 Y45 R46 Q237	C39-S43 VanDerWaalsContact O-CB 3.29Å; C39-S43 WeakPolarHBondContact O-CB 3.45Å; C39-S43 PolarHBondContact O-N 3.49Å; C39-S43 PolarHBondContact O-OG 3.19Å; R40-S43 WeakPolarHBondContact CA-OG 3.25Å; R40-S43 PolarHBondContact O-OG 3.47Å; T41-S43 VanDerWaalsContact C-N 3.27Å; T41-S43 PolarHBondContact O-N 3.13Å; S43-Y45 PolarHBondContact O-N 3.29Å; S43-R46 VanDerWaalsContact O-CB 3.25Å; S43-R46 WeakPolarHBondContact O-CB 3.46Å; S43-R46 PolarHBondContact O-N 3.36Å; S43-Q237 PolarHBondContact OG-OE1 3.37Å
44	T	63.8	Low	65.4	Low	103 Å²	103	66.6 Å²	66.6	63%	0.632	32%	0.321	S	S	*	.	H	α-helix	trans	-61.1	-33.5	176	-55.1	0	0	0	0	110.3	R40 T41	R40-T44 PolarHBondContact O-N 3.1Å; R40-T44 VanDerWaalsContact O-N 3.12Å; R40-T44 PolarHBondContact O-OG1 3.14Å; T41-T44 WeakPolarHBondContact O-CB 3.36Å; T41-T44 PolarHBondContact O-N 3.36Å; T41-T44 VanDerWaalsContact O-N 3.14Å
45	Y	61.2	Low	66.6	Low	90 Å²	90	62.1 Å²	62.1	35%	0.353	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.8	23.7	179.1	-60.6	-72	0	0	0	114.1	T41 L42 S43 N47 S48 G51 V54	T41-Y45 HydrophobicContact CG2-CD2 4.06Å; T41-Y45 HydrophobicContact CG2-CE2 4.01Å; T41-Y45 WeakPolarHBondContact O-CD2 3.37Å; T41-Y45 PolarHBondContact O-N 3.36Å; L42-Y45 CarbonylContact O-C 3.59Å; L42-Y45 PolarHBondContact O-N 2.9Å; S43-Y45 PolarHBondContact O-N 3.29Å; Y45-N47 PolarHBondContact O-N 3.31Å; Y45-S48 PolarHBondContact O-N 2.65Å; Y45-G51 VanDerWaalsContact CG-CA 3.48Å; Y45-V54 HydrophobicContact CE2-CB 4.36Å; Y45-V54 HydrophobicContact CE2-CG1 4.03Å
46	R	57	Low	68.1	Low	117 Å²	117	61.4 Å²	61.4	44%	0.442	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-44.5	-34.2	-174	177.6	178.3	172.3	-166.4	-9.5	114.9	L42 S43 F231	L42-R46 PolarHBondContact O-N 3.25Å; S43-R46 VanDerWaalsContact O-CB 3.25Å; S43-R46 WeakPolarHBondContact O-CB 3.46Å; S43-R46 PolarHBondContact O-N 3.36Å; R46-F231 HydrophobicContact CG-CZ 4.46Å; R46-F231 VanDerWaalsContact CZ-CG 3.48Å
47	N	53.7	Low	69.6	Low	154 Å²	154	58.1 Å²	58.1	82%	0.824	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.8	2.4	-173.7	-65.7	-20	0	0	0	114.6	Y45	Y45-N47 PolarHBondContact O-N 3.31Å
48	S	56.1	Low	70.8	Confident	34 Å²	34	59.8 Å²	59.8	24%	0.238	28%	0.284	C	S	.	.			trans	-116.6	135.7	-179.8	75.8	0	0	0	0	112	Y45 D50 G51	Y45-S48 PolarHBondContact O-N 2.65Å; S48-D50 PolarHBondContact O-N 3.47Å; S48-D50 VanDerWaalsContact O-N 3.1Å; S48-G51 PolarHBondContact O-N 3.03Å; S48-G51 VanDerWaalsContact O-N 3.12Å; S48-G51 PolarHBondContact OG-N 3.29Å
49	R	60.1	Low	71.9	Confident	210 Å²	210	59.8 Å²	59.8	79%	0.792	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-23.6	164.2	-174.7	-176.9	-94	179.1	-4.1	110.7	G51	R49-G51 VanDerWaalsContact C-N 3.29Å; R49-G51 PolarHBondContact O-N 3.06Å
50	D	69.2	Low	73	Confident	102 Å²	102	59.5 Å²	59.5	55%	0.545	28%	0.282	S	S	.	.	H	α-helix	trans	-66.8	-25.1	179.4	-51.1	-44.5	0	0	0	113.2	S48 K53 V54	S48-D50 PolarHBondContact O-N 3.47Å; S48-D50 VanDerWaalsContact O-N 3.1Å; D50-K53 WeakPolarHBondContact O-CB 3.41Å; D50-K53 PolarHBondContact O-N 3.24Å; D50-V54 VanDerWaalsContact O-CG2 3.29Å; D50-V54 WeakPolarHBondContact O-CG2 3.5Å; D50-V54 PolarHBondContact O-N 3.21Å
51	G	75.7	Confident	74.3	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-60.8	-49.6	-179.2	0	0	0	0	0	114.9	Y45 S48 R49 K53 V54 M55	Y45-G51 VanDerWaalsContact CG-CA 3.48Å; S48-G51 PolarHBondContact O-N 3.03Å; S48-G51 VanDerWaalsContact O-N 3.12Å; S48-G51 PolarHBondContact OG-N 3.29Å; R49-G51 VanDerWaalsContact C-N 3.29Å; R49-G51 PolarHBondContact O-N 3.06Å; G51-K53 VanDerWaalsContact C-N 3.28Å; G51-K53 PolarHBondContact O-N 3.44Å; G51-V54 PolarHBondContact O-N 2.75Å; G51-M55 PolarHBondContact O-N 2.68Å
52	Y	80.8	Confident	75.8	Confident	33 Å²	33	55.4 Å²	55.4	13%	0.129	27%	0.265	C	S	.	.	H	α-helix	trans	-67.6	-34	178	-56.5	-73.2	0	0	0	111.5	L42 F56 M217 R218	L42-Y52 HydrophobicContact CD1-CD1 4.45Å; L42-Y52 HydrophobicContact CD1-CE1 4.09Å; L42-Y52 HydrophobicContact CD2-CD1 3.43Å; L42-Y52 VanDerWaalsContact CD2-CD1 3.43Å; L42-Y52 HydrophobicContact CD2-CE1 3.44Å; L42-Y52 VanDerWaalsContact CD2-CE1 3.44Å; L42-Y52 HydrophobicContact CD2-CG 4.24Å; L42-Y52 HydrophobicContact CG-CE1 4.31Å; Y52-F56 VanDerWaalsContact O-CB 3.25Å; Y52-F56 WeakPolarHBondContact O-CB 3.46Å; Y52-F56 PolarHBondContact O-N 2.97Å; Y52-M217 HydrophobicContact CD1-CB 3.99Å; Y52-M217 HydrophobicContact CE1-CB 4.42Å; Y52-R218 HydrophobicContact CE1-CB 3.6Å; Y52-R218 HydrophobicContact CE1-CG 4.42Å; Y52-R218 VanDerWaalsContact OH-CB 3.24Å; Y52-R218 WeakPolarHBondContact OH-CB 3.49Å; Y52-R218 WeakPolarHBondContact OH-CG 3.3Å
53	K	85.8	Confident	77.2	Confident	60 Å²	60	63.6 Å²	63.6	26%	0.261	30%	0.296	S	S	.	.	H	α-helix	trans	-63.3	-48.3	173.6	177.8	176.1	168.6	170.7	0	111	D50 G51 M55 F56 Q57 N206	D50-K53 WeakPolarHBondContact O-CB 3.41Å; D50-K53 PolarHBondContact O-N 3.24Å; G51-K53 VanDerWaalsContact C-N 3.28Å; G51-K53 PolarHBondContact O-N 3.44Å; K53-M55 VanDerWaalsContact C-N 3.33Å; K53-M55 PolarHBondContact O-N 3.46Å; K53-F56 PolarHBondContact O-N 3.4Å; K53-Q57 VanDerWaalsContact CE-NE2 3.3Å; K53-Q57 HydrophobicContact CG-CG 4.44Å; K53-Q57 WeakPolarHBondContact O-CB 3.38Å; K53-Q57 VanDerWaalsContact O-CG 3.27Å; K53-Q57 WeakPolarHBondContact O-CG 3.42Å; K53-Q57 PolarHBondContact O-N 3.2Å; K53-N206 WeakPolarHBondContact CE-O 3.5Å; K53-N206 WeakPolarHBondContact CE-OD1 3.42Å; K53-N206 PolarHBondContact NZ-O 2.88Å; K53-N206 PolarHBondContact NZ-OD1 3.38Å
54	V	84	Confident	78.8	Confident	36 Å²	36	65.1 Å²	65.1	22%	0.218	30%	0.301	C	S	.	.	H	α-helix	trans	-58.2	-47.6	177.1	169.7	0	0	0	0	110.4	Y45 D50 G51 F56 Q57 D58	Y45-V54 HydrophobicContact CE2-CB 4.36Å; Y45-V54 HydrophobicContact CE2-CG1 4.03Å; D50-V54 VanDerWaalsContact O-CG2 3.29Å; D50-V54 WeakPolarHBondContact O-CG2 3.5Å; D50-V54 PolarHBondContact O-N 3.21Å; G51-V54 PolarHBondContact O-N 2.75Å; V54-F56 PolarHBondContact O-N 3.44Å; V54-Q57 WeakPolarHBondContact O-CB 3.45Å; V54-Q57 PolarHBondContact O-N 2.86Å; V54-D58 PolarHBondContact O-N 3.34Å
55	M	83.1	Confident	80.3	Confident	7 Å²	7	60.2 Å²	60.2	3%	0.034	27%	0.271	C	S	.	.	H	α-helix	trans	-62.9	-42.7	178.7	-175	-169	152.3	0	0	112.7	L38 L42 G51 K53 Q57 D58 I59 M217 F251	L38-M55 HydrophobicContact CD1-CE 2.99Å; L38-M55 HydrophobicContact CD1-CG 4.36Å; L38-M55 HydrophobicContact CD1-SD 3.09Å; L38-M55 WeakPolarHBondContact CD1-SD 3.14Å; L38-M55 HydrophobicContact CD2-CE 4.31Å; L38-M55 HydrophobicContact CG-CE 4.22Å; L42-M55 HydrophobicContact CD1-SD 3.67Å; L42-M55 HydrophobicContact CD2-CB 4.35Å; L42-M55 HydrophobicContact CD2-SD 3.91Å; L42-M55 HydrophobicContact CG-SD 3.82Å; G51-M55 PolarHBondContact O-N 2.68Å; K53-M55 VanDerWaalsContact C-N 3.33Å; K53-M55 PolarHBondContact O-N 3.46Å; M55-Q57 VanDerWaalsContact C-N 3.31Å; M55-Q57 PolarHBondContact O-N 3.26Å; M55-D58 PolarHBondContact O-N 2.95Å; M55-I59 HydrophobicContact CE-CD1 3.41Å; M55-I59 VanDerWaalsContact CE-CD1 3.41Å; M55-I59 HydrophobicContact CG-CD1 4.08Å; M55-I59 WeakPolarHBondContact O-CG1 3.49Å; M55-I59 PolarHBondContact O-N 3.12Å; M55-M217 HydrophobicContact CB-CE 4.24Å; M55-M217 HydrophobicContact CE-CE 3.35Å; M55-M217 HydrophobicContact CG-CE 3.93Å; M55-M217 HydrophobicContact SD-CE 3.33Å; M55-M217 WeakPolarHBondContact SD-CE 3.44Å; M55-F251 HydrophobicContact CE-CE1 3.66Å; M55-F251 HydrophobicContact CE-CZ 3.75Å
56	F	88.7	Confident	82	Confident	10 Å²	10	58.9 Å²	58.9	4%	0.044	27%	0.268	C	S	.	.	H	α-helix	trans	-62.4	-40.3	175.8	-176.4	-99.2	0	0	0	111.6	Y52 K53 V54 D58 I59 T60 L205 P209 L255	Y52-F56 VanDerWaalsContact O-CB 3.25Å; Y52-F56 WeakPolarHBondContact O-CB 3.46Å; Y52-F56 PolarHBondContact O-N 2.97Å; K53-F56 PolarHBondContact O-N 3.4Å; V54-F56 PolarHBondContact O-N 3.44Å; F56-D58 VanDerWaalsContact C-N 3.34Å; F56-I59 PolarHBondContact O-N 3.38Å; F56-T60 HydrophobicContact CD1-CG2 4.48Å; F56-T60 HydrophobicContact CE1-CG2 4.19Å; F56-T60 HydrophobicContact CE2-CG2 4.39Å; F56-T60 HydrophobicContact CZ-CG2 4.14Å; F56-T60 WeakPolarHBondContact O-CB 3.4Å; F56-T60 WeakPolarHBondContact O-CG2 3.14Å; F56-T60 PolarHBondContact O-N 3.41Å; F56-T60 PolarHBondContact O-OG1 3.03Å; F56-L205 HydrophobicContact CE1-CD2 3.78Å; F56-L205 HydrophobicContact CZ-CD2 4.3Å; F56-P209 HydrophobicContact CB-CB 4.33Å; F56-P209 HydrophobicContact CB-CG 3.96Å; F56-P209 HydrophobicContact CD2-CB 3.85Å; F56-P209 HydrophobicContact CD2-CG 4.4Å; F56-P209 HydrophobicContact CE2-CB 4.34Å; F56-P209 HydrophobicContact CG-CB 4.08Å; F56-P209 HydrophobicContact CG-CG 4.21Å; F56-L255 HydrophobicContact CD2-CD2 4.48Å; F56-L255 HydrophobicContact CE2-CD2 3.95Å
57	Q	90.4	Very high	83.9	Confident	32 Å²	32	59.4 Å²	59.4	15%	0.15	27%	0.273	C	S	.	.	H	α-helix	trans	-65	-36.4	174.8	-76.8	179.8	-30.3	0	0	112.4	K53 V54 M55 T60 E61 Y62	K53-Q57 VanDerWaalsContact CE-NE2 3.3Å; K53-Q57 HydrophobicContact CG-CG 4.44Å; K53-Q57 WeakPolarHBondContact O-CB 3.38Å; K53-Q57 VanDerWaalsContact O-CG 3.27Å; K53-Q57 WeakPolarHBondContact O-CG 3.42Å; K53-Q57 PolarHBondContact O-N 3.2Å; V54-Q57 WeakPolarHBondContact O-CB 3.45Å; V54-Q57 PolarHBondContact O-N 2.86Å; M55-Q57 VanDerWaalsContact C-N 3.31Å; M55-Q57 PolarHBondContact O-N 3.26Å; Q57-T60 PolarHBondContact O-OG1 2.98Å; Q57-E61 PolarHBondContact O-N 3.01Å; Q57-E61 VanDerWaalsContact O-N 3.07Å; Q57-Y62 HydrophobicContact CB-CD1 4.22Å; Q57-Y62 HydrophobicContact CB-CG 4.24Å; Q57-Y62 HydrophobicContact CG-CD1 3.82Å; Q57-Y62 HydrophobicContact CG-CG 3.88Å; Q57-Y62 VanDerWaalsContact NE2-CD1 3.35Å; Q57-Y62 WeakPolarHBondContact O-CB 3.49Å; Q57-Y62 PolarHBondContact O-N 3.25Å
58	D	87.8	Confident	86	Confident	71 Å²	71	52.3 Å²	52.3	38%	0.38	24%	0.235	S	C	.	.	H	α-helix	trans	-67.7	-46.8	175.5	-72.6	-19.7	0	0	0	111.2	V54 M55 F56 T60 E61	V54-D58 PolarHBondContact O-N 3.34Å; M55-D58 PolarHBondContact O-N 2.95Å; F56-D58 VanDerWaalsContact C-N 3.34Å; D58-T60 VanDerWaalsContact C-N 3.29Å; D58-T60 PolarHBondContact O-N 3.4Å; D58-E61 PolarHBondContact O-N 2.91Å; D58-E61 VanDerWaalsContact O-N 3.11Å
59	I	89.4	Confident	87.9	Confident	5 Å²	5	50.9 Å²	50.9	3%	0.026	23%	0.225	C	C	.	.	H	α-helix	trans	-60.7	-39.4	177.8	-71.7	163.5	0	0	0	112	M55 F56 E61 M217 F251 L255 Y388 I392 Y396	M55-I59 HydrophobicContact CE-CD1 3.41Å; M55-I59 VanDerWaalsContact CE-CD1 3.41Å; M55-I59 HydrophobicContact CG-CD1 4.08Å; M55-I59 WeakPolarHBondContact O-CG1 3.49Å; M55-I59 PolarHBondContact O-N 3.12Å; F56-I59 PolarHBondContact O-N 3.38Å; I59-E61 VanDerWaalsContact C-N 3.26Å; I59-M217 HydrophobicContact CD1-CE 4.49Å; I59-F251 HydrophobicContact CD1-CD1 4.14Å; I59-F251 HydrophobicContact CD1-CE1 3.46Å; I59-F251 VanDerWaalsContact CD1-CE1 3.46Å; I59-F251 HydrophobicContact CD1-CZ 4.38Å; I59-L255 HydrophobicContact CG2-CD1 3.89Å; I59-L255 HydrophobicContact CG2-CD2 3.88Å; I59-L255 HydrophobicContact CG2-CG 4.44Å; I59-Y388 PolarHBondContact O-OH 2.85Å; I59-I392 HydrophobicContact CG2-CD1 4.01Å; I59-I392 HydrophobicContact CG2-CG2 4.42Å; I59-Y396 HydrophobicContact CD1-CE1 4.44Å; I59-Y396 HydrophobicContact CG1-CE1 4.05Å; I59-Y396 HydrophobicContact CG1-CE2 3.9Å; I59-Y396 WeakPolarHBondContact CG1-OH 3.48Å
60	T	91.8	Very high	89.6	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	3.6	-179.3	57.1	0	0	0	0	112.9	F56 Q57 D58 Y62 L205 L255 F258 Y378 R382	F56-T60 HydrophobicContact CD1-CG2 4.48Å; F56-T60 HydrophobicContact CE1-CG2 4.19Å; F56-T60 HydrophobicContact CE2-CG2 4.39Å; F56-T60 HydrophobicContact CZ-CG2 4.14Å; F56-T60 WeakPolarHBondContact O-CB 3.4Å; F56-T60 WeakPolarHBondContact O-CG2 3.14Å; F56-T60 PolarHBondContact O-N 3.41Å; F56-T60 PolarHBondContact O-OG1 3.03Å; Q57-T60 PolarHBondContact O-OG1 2.98Å; D58-T60 VanDerWaalsContact C-N 3.29Å; D58-T60 PolarHBondContact O-N 3.4Å; T60-Y62 PolarHBondContact O-N 3.34Å; T60-L205 HydrophobicContact CG2-CD2 3.63Å; T60-L255 HydrophobicContact CG2-CD2 3.74Å; T60-F258 HydrophobicContact CG2-CD1 4.22Å; T60-F258 HydrophobicContact CG2-CE1 4.46Å; T60-Y378 PolarHBondContact O-OH 3.43Å; T60-R382 PolarHBondContact O-NH2 3.37Å
61	E	93	Very high	90.9	Very high	65 Å²	65	43.6 Å²	43.6	30%	0.304	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.9	38.8	-177.6	-52.8	168.6	155	0	0	112.6	Q57 D58 I59 R63 Q64 L65 Y378 R382	Q57-E61 PolarHBondContact O-N 3.01Å; Q57-E61 VanDerWaalsContact O-N 3.07Å; D58-E61 PolarHBondContact O-N 2.91Å; D58-E61 VanDerWaalsContact O-N 3.11Å; I59-E61 VanDerWaalsContact C-N 3.26Å; E61-R63 PolarHBondContact O-N 2.96Å; E61-R63 VanDerWaalsContact O-N 3.14Å; E61-Q64 HydrophobicContact CB-CB 4.24Å; E61-Q64 WeakPolarHBondContact O-CA 3.27Å; E61-Q64 WeakPolarHBondContact O-CB 3.39Å; E61-Q64 PolarHBondContact O-N 2.85Å; E61-L65 PolarHBondContact O-N 3.5Å; E61-L65 VanDerWaalsContact O-N 3.15Å; E61-Y378 HydrophobicContact CB-CE2 4.29Å; E61-R382 IonicContact OE2-CZ 3.33Å; E61-R382 IonicContact OE2-NH1 2.77Å; E61-R382 IonicContact OE2-NH2 3.69Å; E61-R382 PolarHBondContact OE2-NH2 3.04Å
62	Y	94	Very high	91.9	Very high	9 Å²	9	43.6 Å²	43.6	4%	0.035	20%	0.201	C	C	.	.	H	α-helix	trans	-53.8	-37.4	-177.1	175.5	-105.2	0	0	0	112.7	Q57 T60 Q64 L65 E66 R202 L205 N206	Q57-Y62 HydrophobicContact CB-CD1 4.22Å; Q57-Y62 HydrophobicContact CB-CG 4.24Å; Q57-Y62 HydrophobicContact CG-CD1 3.82Å; Q57-Y62 HydrophobicContact CG-CG 3.88Å; Q57-Y62 VanDerWaalsContact NE2-CD1 3.35Å; Q57-Y62 WeakPolarHBondContact O-CB 3.49Å; Q57-Y62 PolarHBondContact O-N 3.25Å; T60-Y62 PolarHBondContact O-N 3.34Å; Y62-Q64 VanDerWaalsContact C-N 3.28Å; Y62-Q64 PolarHBondContact O-N 3.46Å; Y62-L65 HydrophobicContact CD2-CD2 4.46Å; Y62-L65 WeakPolarHBondContact O-CB 3.35Å; Y62-L65 PolarHBondContact O-N 3.26Å; Y62-E66 HydrophobicContact CD1-CG 4.24Å; Y62-E66 HydrophobicContact CE1-CG 3.65Å; Y62-E66 VanDerWaalsContact CE1-OE1 3.31Å; Y62-E66 WeakPolarHBondContact CE1-OE1 3.46Å; Y62-E66 WeakPolarHBondContact CE1-OE2 3.32Å; Y62-E66 HydrophobicContact CE2-CG 4.14Å; Y62-E66 VanDerWaalsContact CZ-CD 3.45Å; Y62-E66 VanDerWaalsContact CZ-OE1 3.28Å; Y62-E66 PolarHBondContact O-N 2.88Å; Y62-E66 VanDerWaalsContact OH-CD 3.31Å; Y62-E66 PolarHBondContact OH-OE1 3.33Å; Y62-R202 HydrophobicContact CE2-CG 3.95Å; Y62-L205 HydrophobicContact CD2-CB 3.36Å; Y62-L205 HydrophobicContact CD2-CD1 4.08Å; Y62-L205 HydrophobicContact CD2-CG 4.38Å; Y62-L205 HydrophobicContact CE2-CB 3.97Å; Y62-L205 HydrophobicContact CG-CB 4.22Å; Y62-N206 HydrophobicContact CE2-CB 4Å
63	R	93.7	Very high	92.6	Very high	178 Å²	178	44 Å²	44	67%	0.672	21%	0.206	S	C	*	.	H	α-helix	trans	-63	-34	176.4	-179.8	-179.4	-86.5	162.9	-6.1	112.4	E61 K67	E61-R63 PolarHBondContact O-N 2.96Å; E61-R63 VanDerWaalsContact O-N 3.14Å; R63-K67 WeakPolarHBondContact O-CG 3.33Å; R63-K67 PolarHBondContact O-N 3.49Å
64	Q	95	Very high	93	Very high	52 Å²	52	45 Å²	45	24%	0.243	21%	0.211	C	C	.	.	H	α-helix	trans	-70	-43.9	174.1	178.6	174	-11.8	0	0	110.3	E61 Y62 E66 K67 I68 Y378	E61-Q64 HydrophobicContact CB-CB 4.24Å; E61-Q64 WeakPolarHBondContact O-CA 3.27Å; E61-Q64 WeakPolarHBondContact O-CB 3.39Å; E61-Q64 PolarHBondContact O-N 2.85Å; Y62-Q64 VanDerWaalsContact C-N 3.28Å; Y62-Q64 PolarHBondContact O-N 3.46Å; Q64-E66 VanDerWaalsContact C-N 3.31Å; Q64-E66 PolarHBondContact O-N 2.89Å; Q64-K67 PolarHBondContact O-N 3.08Å; Q64-I68 HydrophobicContact CG-CD1 3.93Å; Q64-I68 WeakPolarHBondContact O-CG1 3.16Å; Q64-I68 PolarHBondContact O-N 3.3Å; Q64-Y378 HydrophobicContact CG-CD2 4.27Å
65	L	95.5	Very high	93.6	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-55.4	-45.6	173.4	177.5	63.7	0	0	0	111.7	E61 Y62 K67 I68 I69 L198 M201 L205 Y378	E61-L65 PolarHBondContact O-N 3.5Å; E61-L65 VanDerWaalsContact O-N 3.15Å; Y62-L65 HydrophobicContact CD2-CD2 4.46Å; Y62-L65 WeakPolarHBondContact O-CB 3.35Å; Y62-L65 PolarHBondContact O-N 3.26Å; L65-K67 VanDerWaalsContact C-N 3.33Å; L65-K67 PolarHBondContact O-N 3.43Å; L65-I68 PolarHBondContact O-N 2.91Å; L65-I68 VanDerWaalsContact O-N 3.17Å; L65-I69 HydrophobicContact CD1-CD1 3.95Å; L65-I69 HydrophobicContact CD1-CG1 4.1Å; L65-I69 HydrophobicContact CD2-CD1 4.38Å; L65-I69 HydrophobicContact CG-CD1 3.8Å; L65-I69 HydrophobicContact CG-CG1 4.32Å; L65-I69 VanDerWaalsContact O-CG1 3.26Å; L65-I69 WeakPolarHBondContact O-CG1 3.43Å; L65-I69 PolarHBondContact O-N 3.06Å; L65-L198 HydrophobicContact CD1-CD2 3.63Å; L65-M201 HydrophobicContact CD2-CB 3.84Å; L65-L205 HydrophobicContact CD2-CD1 3.83Å; L65-Y378 HydrophobicContact CB-CE1 4.27Å; L65-Y378 HydrophobicContact CB-CE2 4.05Å; L65-Y378 HydrophobicContact CD1-CD1 4.29Å; L65-Y378 HydrophobicContact CD1-CE1 3.77Å; L65-Y378 HydrophobicContact CG-CE1 4.42Å
66	E	97.1	Very high	94.2	Very high	62 Å²	62	43 Å²	43	29%	0.29	20%	0.199	S	C	.	.	H	α-helix	trans	-60.1	-42.4	178.3	-73.5	-166.5	130.2	0	0	112.5	Y62 Q64 I69 L70 R202	Y62-E66 HydrophobicContact CD1-CG 4.24Å; Y62-E66 HydrophobicContact CE1-CG 3.65Å; Y62-E66 VanDerWaalsContact CE1-OE1 3.31Å; Y62-E66 WeakPolarHBondContact CE1-OE1 3.46Å; Y62-E66 WeakPolarHBondContact CE1-OE2 3.32Å; Y62-E66 HydrophobicContact CE2-CG 4.14Å; Y62-E66 VanDerWaalsContact CZ-CD 3.45Å; Y62-E66 VanDerWaalsContact CZ-OE1 3.28Å; Y62-E66 PolarHBondContact O-N 2.88Å; Y62-E66 VanDerWaalsContact OH-CD 3.31Å; Y62-E66 PolarHBondContact OH-OE1 3.33Å; Q64-E66 VanDerWaalsContact C-N 3.31Å; Q64-E66 PolarHBondContact O-N 2.89Å; E66-I69 PolarHBondContact O-N 3.38Å; E66-L70 WeakPolarHBondContact O-CG 3.2Å; E66-L70 PolarHBondContact O-N 3.47Å; E66-R202 IonicContact OE1-NE 3.88Å; E66-R202 IonicContact OE1-NH2 3.96Å
67	K	97.3	Very high	94.5	Very high	127 Å²	127	44.8 Å²	44.8	55%	0.552	21%	0.209	S	C	*	.	H	α-helix	trans	-62.7	-42.4	174.9	-70.6	174.7	-179.8	-179.6	0	111.8	R63 Q64 L65 L70 N71	R63-K67 WeakPolarHBondContact O-CG 3.33Å; R63-K67 PolarHBondContact O-N 3.49Å; Q64-K67 PolarHBondContact O-N 3.08Å; L65-K67 VanDerWaalsContact C-N 3.33Å; L65-K67 PolarHBondContact O-N 3.43Å; K67-L70 PolarHBondContact O-N 3.05Å; K67-N71 VanDerWaalsContact O-CG 3.27Å; K67-N71 PolarHBondContact O-N 2.69Å; K67-N71 VanDerWaalsContact O-N 3.09Å; K67-N71 PolarHBondContact O-ND2 3.32Å
68	I	97.1	Very high	94.8	Very high	5 Å²	5	46.7 Å²	46.7	3%	0.026	22%	0.217	C	C	.	.	H	α-helix	trans	-61.5	-45.9	176.7	-69.1	165.7	0	0	0	110.1	Q64 L65 L70 N71 F72 D374 L375 Y378	Q64-I68 HydrophobicContact CG-CD1 3.93Å; Q64-I68 WeakPolarHBondContact O-CG1 3.16Å; Q64-I68 PolarHBondContact O-N 3.3Å; L65-I68 PolarHBondContact O-N 2.91Å; L65-I68 VanDerWaalsContact O-N 3.17Å; I68-L70 PolarHBondContact O-N 3Å; I68-N71 PolarHBondContact O-N 3.36Å; I68-F72 WeakPolarHBondContact O-CB 3.04Å; I68-F72 PolarHBondContact O-N 3.45Å; I68-D374 HydrophobicContact CD1-CB 4.44Å; I68-D374 WeakPolarHBondContact CD1-O 3.24Å; I68-D374 HydrophobicContact CG1-CB 4.13Å; I68-L375 HydrophobicContact CG2-CB 3.88Å; I68-L375 HydrophobicContact CG2-CD1 3.75Å; I68-L375 HydrophobicContact CG2-CG 4.34Å; I68-Y378 HydrophobicContact CD1-CD2 4.12Å; I68-Y378 HydrophobicContact CD1-CG 3.87Å
69	I	96	Very high	95.2	Very high	5 Å²	5	43.3 Å²	43.3	3%	0.026	20%	0.199	C	C	.	.	H	α-helix	trans	-60.9	-45.7	179.6	-70.8	175.2	0	0	0	111.6	L65 E66 F72 N73 L198 R202	L65-I69 HydrophobicContact CD1-CD1 3.95Å; L65-I69 HydrophobicContact CD1-CG1 4.1Å; L65-I69 HydrophobicContact CD2-CD1 4.38Å; L65-I69 HydrophobicContact CG-CD1 3.8Å; L65-I69 HydrophobicContact CG-CG1 4.32Å; L65-I69 VanDerWaalsContact O-CG1 3.26Å; L65-I69 WeakPolarHBondContact O-CG1 3.43Å; L65-I69 PolarHBondContact O-N 3.06Å; E66-I69 PolarHBondContact O-N 3.38Å; I69-F72 PolarHBondContact O-N 2.64Å; I69-N73 WeakPolarHBondContact CG2-ND2 2.86Å; I69-N73 PolarHBondContact O-N 2.87Å; I69-N73 PolarHBondContact O-ND2 3.02Å; I69-L198 HydrophobicContact CD1-CB 4.17Å; I69-L198 WeakPolarHBondContact CD1-O 3.35Å; I69-L198 HydrophobicContact CG1-CB 3.94Å; I69-L198 HydrophobicContact CG1-CD1 4.28Å; I69-L198 HydrophobicContact CG1-CD2 4.2Å; I69-L198 HydrophobicContact CG1-CG 4.38Å; I69-R202 HydrophobicContact CD1-CB 3.7Å; I69-R202 HydrophobicContact CD1-CG 4.15Å
70	L	96.3	Very high	95.4	Very high	113 Å²	113	43.1 Å²	43.1	59%	0.592	20%	0.198	S	C	*	.	H	α-helix	trans	-58.9	-53.2	177.8	-72.1	170.8	0	0	0	110.5	E66 K67 I68 F72 N73 E74	E66-L70 WeakPolarHBondContact O-CG 3.2Å; E66-L70 PolarHBondContact O-N 3.47Å; K67-L70 PolarHBondContact O-N 3.05Å; I68-L70 PolarHBondContact O-N 3Å; L70-F72 VanDerWaalsContact C-N 3.32Å; L70-F72 PolarHBondContact O-N 3.18Å; L70-N73 PolarHBondContact O-N 3.48Å; L70-E74 PolarHBondContact O-N 3.46Å
71	N	97.5	Very high	95.5	Very high	45 Å²	45	47.4 Å²	47.4	24%	0.241	22%	0.218	C	C	.	.	H	α-helix	trans	-64.9	-36.1	-179.5	-61.4	-30.3	0	0	0	112.6	K67 I68 E74 F367 V371	K67-N71 VanDerWaalsContact O-CG 3.27Å; K67-N71 PolarHBondContact O-N 2.69Å; K67-N71 VanDerWaalsContact O-N 3.09Å; K67-N71 PolarHBondContact O-ND2 3.32Å; I68-N71 PolarHBondContact O-N 3.36Å; N71-E74 PolarHBondContact O-N 3.5Å; N71-F367 HydrophobicContact CB-CE2 4.12Å; N71-F367 HydrophobicContact CB-CZ 4.02Å; N71-F367 WeakPolarHBondContact O-CZ 3.41Å; N71-V371 HydrophobicContact CB-CG1 4.29Å; N71-V371 HydrophobicContact CB-CG2 3.52Å
72	F	96.2	Very high	95.5	Very high	1 Å²	1	44.7 Å²	44.7	0%	0.004	21%	0.205	C	C	.	.	H	α-helix	trans	-62.3	-44.8	177.5	176.2	-88.8	0	0	0	111.9	I68 I69 L70 E74 I75 Y191 T194 R195 L198 F283 V371 L375	I68-F72 WeakPolarHBondContact O-CB 3.04Å; I68-F72 PolarHBondContact O-N 3.45Å; I69-F72 PolarHBondContact O-N 2.64Å; L70-F72 VanDerWaalsContact C-N 3.32Å; L70-F72 PolarHBondContact O-N 3.18Å; F72-E74 PolarHBondContact O-N 3.27Å; F72-I75 HydrophobicContact CD2-CD1 4.38Å; F72-I75 WeakPolarHBondContact O-CB 3.39Å; F72-I75 PolarHBondContact O-N 3.45Å; F72-Y191 HydrophobicContact CD1-CE2 4.05Å; F72-Y191 AromaticContact CE1-CD2 3.64Å; F72-Y191 HydrophobicContact CE1-CD2 3.64Å; F72-Y191 AromaticContact CE1-CE2 3.34Å; F72-Y191 HydrophobicContact CE1-CE2 3.34Å; F72-Y191 HydrophobicContact CE2-CD2 4.23Å; F72-Y191 AromaticContact CZ-CD2 3.39Å; F72-Y191 HydrophobicContact CZ-CD2 3.39Å; F72-Y191 AromaticContact CZ-CE2 3.61Å; F72-Y191 HydrophobicContact CZ-CE2 3.61Å; F72-Y191 HydrophobicContact CZ-CG 4.31Å; F72-T194 HydrophobicContact CD2-CG2 4.15Å; F72-T194 HydrophobicContact CE1-CG2 4.28Å; F72-T194 HydrophobicContact CE2-CG2 3.36Å; F72-T194 HydrophobicContact CZ-CG2 3.45Å; F72-T194 VanDerWaalsContact CZ-CG2 3.45Å; F72-R195 HydrophobicContact CE1-CB 3.87Å; F72-R195 HydrophobicContact CE1-CG 4.4Å; F72-L198 HydrophobicContact CB-CD1 4.25Å; F72-L198 HydrophobicContact CD1-CD1 3.9Å; F72-L198 HydrophobicContact CD2-CD1 4.22Å; F72-L198 HydrophobicContact CE1-CD1 4.34Å; F72-L198 HydrophobicContact CG-CD1 3.85Å; F72-F283 HydrophobicContact CD2-CE1 4.13Å; F72-F283 AromaticContact CD2-CZ 3.75Å; F72-F283 HydrophobicContact CD2-CZ 3.75Å; F72-F283 AromaticContact CE2-CE1 3.59Å; F72-F283 HydrophobicContact CE2-CE1 3.59Å; F72-F283 AromaticContact CE2-CZ 3.55Å; F72-F283 HydrophobicContact CE2-CZ 3.55Å; F72-F283 HydrophobicContact CZ-CE1 4.39Å; F72-V371 HydrophobicContact CB-CG1 4.17Å; F72-L375 HydrophobicContact CD2-CD2 3.86Å; F72-L375 HydrophobicContact CE2-CD2 4.14Å
73	N	94.2	Very high	95.4	Very high	42 Å²	42	44.2 Å²	44.2	23%	0.225	20%	0.204	C	C	.	.	H	α-helix	trans	-67.7	-21.4	178.6	-69.3	-48.3	0	0	0	112.8	I69 L70 R195	I69-N73 WeakPolarHBondContact CG2-ND2 2.86Å; I69-N73 PolarHBondContact O-N 2.87Å; I69-N73 PolarHBondContact O-ND2 3.02Å; L70-N73 PolarHBondContact O-N 3.48Å; N73-R195 PolarHBondContact OD1-NE 2.8Å
74	E	95.6	Very high	95.4	Very high	80 Å²	80	38.2 Å²	38.2	37%	0.374	18%	0.182	S	C	.	.	H	α-helix	trans	-77.2	-20.8	176	-71.3	-176.7	178.5	0	0	113.6	L70 N71 F72 L77 K78 F367	L70-E74 PolarHBondContact O-N 3.46Å; N71-E74 PolarHBondContact O-N 3.5Å; F72-E74 PolarHBondContact O-N 3.27Å; E74-L77 PolarHBondContact O-N 3.41Å; E74-K78 HydrophobicContact CB-CD 4.37Å; E74-K78 WeakPolarHBondContact O-CG 3.26Å; E74-K78 PolarHBondContact O-N 2.92Å; E74-K78 WeakPolarHBondContact OE2-CE 3.49Å; E74-K78 IonicContact OE2-NZ 2.64Å; E74-K78 PolarHBondContact OE2-NZ 3.09Å; E74-F367 HydrophobicContact CB-CE1 4.39Å; E74-F367 HydrophobicContact CB-CZ 4.03Å
75	I	96.4	Very high	95.1	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-52	-58.1	-175.5	-69.9	175	0	0	0	112.8	F72 L77 K78 L79 F283 L286 F367 I368 V371	F72-I75 HydrophobicContact CD2-CD1 4.38Å; F72-I75 WeakPolarHBondContact O-CB 3.39Å; F72-I75 PolarHBondContact O-N 3.45Å; I75-L77 VanDerWaalsContact C-N 3.29Å; I75-L77 PolarHBondContact O-N 2.87Å; I75-K78 PolarHBondContact O-N 3.48Å; I75-L79 HydrophobicContact CG2-CD1 3.72Å; I75-L79 HydrophobicContact CG2-CG 4.43Å; I75-L79 WeakPolarHBondContact O-CB 3.39Å; I75-L79 WeakPolarHBondContact O-CG 3.25Å; I75-L79 PolarHBondContact O-N 3.41Å; I75-F283 HydrophobicContact CD1-CD1 4.11Å; I75-F283 HydrophobicContact CD1-CD2 4.16Å; I75-F283 HydrophobicContact CD1-CE1 3.57Å; I75-F283 HydrophobicContact CD1-CE2 3.63Å; I75-F283 HydrophobicContact CD1-CG 4.38Å; I75-F283 HydrophobicContact CD1-CZ 3.31Å; I75-F283 HydrophobicContact CG2-CD1 4.1Å; I75-F283 HydrophobicContact CG2-CE1 4.38Å; I75-L286 HydrophobicContact CG2-CD2 4.29Å; I75-F367 HydrophobicContact CG1-CE1 3.91Å; I75-I368 HydrophobicContact CG2-CG1 4.35Å; I75-V371 HydrophobicContact CD1-CB 4.05Å; I75-V371 HydrophobicContact CD1-CG1 3.76Å
76	P	96	Very high	94.7	Very high	1 Å²	1	38.4 Å²	38.4	1%	0.006	19%	0.185	C	C	.	.	H	α-helix	trans	-64	-35.7	-176.9	24.7	-34.9	0	0	0	112.3	L79 V80 F116 Y191	P76-L79 PolarHBondContact O-N 3.33Å; P76-V80 WeakPolarHBondContact O-CB 3.5Å; P76-V80 VanDerWaalsContact O-CG2 3.25Å; P76-V80 WeakPolarHBondContact O-CG2 3.36Å; P76-V80 PolarHBondContact O-N 3Å; P76-F116 HydrophobicContact CB-CB 4.31Å; P76-F116 HydrophobicContact CB-CD1 3.51Å; P76-F116 HydrophobicContact CB-CD2 3.79Å; P76-F116 HydrophobicContact CB-CE1 3.62Å; P76-F116 HydrophobicContact CB-CE2 3.89Å; P76-F116 HydrophobicContact CB-CG 3.61Å; P76-F116 HydrophobicContact CB-CZ 3.81Å; P76-F116 HydrophobicContact CG-CB 4.44Å; P76-F116 HydrophobicContact CG-CD1 3.75Å; P76-F116 HydrophobicContact CG-CE1 4.14Å; P76-F116 HydrophobicContact CG-CG 4.08Å; P76-Y191 HydrophobicContact CG-CE1 4.31Å; P76-Y191 HydrophobicContact CG-CE2 3.92Å; P76-Y191 WeakPolarHBondContact CG-OH 3.46Å
77	L	95.1	Very high	94.3	Very high	48 Å²	48	35.5 Å²	35.5	25%	0.251	17%	0.171	S	C	.	.	H	α-helix	trans	-66.8	-41.9	179.1	-60	-178.7	0	0	0	111.7	E74 I75 V80 H81 E113 F116 R117	E74-L77 PolarHBondContact O-N 3.41Å; I75-L77 VanDerWaalsContact C-N 3.29Å; I75-L77 PolarHBondContact O-N 2.87Å; L77-V80 PolarHBondContact O-N 3.41Å; L77-H81 WeakPolarHBondContact O-CB 3.33Å; L77-H81 PolarHBondContact O-N 2.82Å; L77-E113 HydrophobicContact CD2-CG 4.48Å; L77-F116 HydrophobicContact CD2-CB 3.75Å; L77-R117 HydrophobicContact CD1-CG 4.15Å; L77-R117 HydrophobicContact CD2-CG 3.62Å
78	K	95.6	Very high	93.7	Very high	72 Å²	72	31.9 Å²	31.9	31%	0.313	16%	0.158	S	C	.	.	H	α-helix	trans	-68.3	-40.1	175.5	-72.1	-177.3	179.3	170.7	0	112	E74 I75 H81 V82 L364 F367	E74-K78 HydrophobicContact CB-CD 4.37Å; E74-K78 WeakPolarHBondContact O-CG 3.26Å; E74-K78 PolarHBondContact O-N 2.92Å; E74-K78 WeakPolarHBondContact OE2-CE 3.49Å; E74-K78 IonicContact OE2-NZ 2.64Å; E74-K78 PolarHBondContact OE2-NZ 3.09Å; I75-K78 PolarHBondContact O-N 3.48Å; K78-H81 PolarHBondContact O-N 3.39Å; K78-V82 WeakPolarHBondContact O-CB 3.47Å; K78-V82 WeakPolarHBondContact O-CG2 3.44Å; K78-V82 PolarHBondContact O-N 3.48Å; K78-L364 HydrophobicContact CB-CD1 3.64Å; K78-F367 HydrophobicContact CD-CD1 3.81Å; K78-F367 HydrophobicContact CD-CE1 3.64Å; K78-F367 HydrophobicContact CD-CG 4.37Å; K78-F367 HydrophobicContact CD-CZ 4.07Å; K78-F367 VanDerWaalsContact NZ-CZ 3.3Å
79	L	95.8	Very high	93	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-57.4	-50.6	172.9	-80.9	167.2	0	0	0	110.8	I75 P76 N83 L286 N287 L290 L364 I368	I75-L79 HydrophobicContact CG2-CD1 3.72Å; I75-L79 HydrophobicContact CG2-CG 4.43Å; I75-L79 WeakPolarHBondContact O-CB 3.39Å; I75-L79 WeakPolarHBondContact O-CG 3.25Å; I75-L79 PolarHBondContact O-N 3.41Å; P76-L79 PolarHBondContact O-N 3.33Å; L79-N83 VanDerWaalsContact O-CB 3.26Å; L79-N83 WeakPolarHBondContact O-CB 3.44Å; L79-N83 PolarHBondContact O-N 2.93Å; L79-N83 PolarHBondContact O-ND2 3.24Å; L79-L286 HydrophobicContact CD1-CD2 4.11Å; L79-L286 HydrophobicContact CD1-CG 4.05Å; L79-N287 HydrophobicContact CD2-CB 4.36Å; L79-N287 WeakPolarHBondContact CD2-OD1 3.46Å; L79-L290 HydrophobicContact CB-CB 4.18Å; L79-L290 HydrophobicContact CB-CD1 3.73Å; L79-L290 HydrophobicContact CD1-CD1 4.01Å; L79-L364 HydrophobicContact CD2-CD2 4.1Å; L79-I368 HydrophobicContact CD1-CD1 4.32Å; L79-I368 HydrophobicContact CD2-CD1 3.74Å; L79-I368 HydrophobicContact CG-CD1 3.97Å
80	V	95.2	Very high	92.3	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-61	-47.7	179	168.8	0	0	0	0	111.5	P76 L77 K84 Y109 V112 E113 F116 L290	P76-V80 WeakPolarHBondContact O-CB 3.5Å; P76-V80 VanDerWaalsContact O-CG2 3.25Å; P76-V80 WeakPolarHBondContact O-CG2 3.36Å; P76-V80 PolarHBondContact O-N 3Å; L77-V80 PolarHBondContact O-N 3.41Å; V80-K84 WeakPolarHBondContact O-CB 3.39Å; V80-K84 PolarHBondContact O-N 2.85Å; V80-Y109 HydrophobicContact CB-CD1 4.5Å; V80-Y109 HydrophobicContact CG1-CD1 4.12Å; V80-Y109 WeakPolarHBondContact CG1-O 3.39Å; V80-V112 HydrophobicContact CG1-CG2 4.25Å; V80-V112 HydrophobicContact CG2-CG2 3.66Å; V80-E113 HydrophobicContact CG1-CB 3.68Å; V80-E113 HydrophobicContact CG1-CG 4.07Å; V80-F116 HydrophobicContact CG2-CD2 4.28Å; V80-L290 HydrophobicContact CG2-CD1 4.11Å; V80-L290 HydrophobicContact CG2-CD2 3.93Å
81	H	92.9	Very high	91.4	Very high	90 Å²	90	28.1 Å²	28.1	42%	0.417	14%	0.138	S	C	.	.	H	α-helix	trans	-60.1	-52.9	-178	-176.6	74.9	0	0	0	112.5	L77 K78 K84 N85	L77-H81 WeakPolarHBondContact O-CB 3.33Å; L77-H81 PolarHBondContact O-N 2.82Å; K78-H81 PolarHBondContact O-N 3.39Å; H81-K84 PolarHBondContact O-N 3.41Å; H81-N85 PolarHBondContact O-N 3.42Å
82	V	92.8	Very high	90.4	Very high	8 Å²	8	32.7 Å²	32.7	5%	0.048	16%	0.156	C	C	.	.	H	α-helix	trans	-65.8	-44.2	-177.4	173.2	0	0	0	0	110.8	K78 K84 N85 L86 E360 Y361 L364	K78-V82 WeakPolarHBondContact O-CB 3.47Å; K78-V82 WeakPolarHBondContact O-CG2 3.44Å; K78-V82 PolarHBondContact O-N 3.48Å; V82-K84 PolarHBondContact O-N 2.86Å; V82-N85 PolarHBondContact O-N 3.01Å; V82-L86 HydrophobicContact CG1-CD1 4.17Å; V82-L86 PolarHBondContact O-N 2.66Å; V82-E360 HydrophobicContact CG1-CG 4.43Å; V82-E360 HydrophobicContact CG2-CG 4.12Å; V82-Y361 HydrophobicContact CG1-CD2 4.34Å; V82-L364 HydrophobicContact CB-CD2 3.81Å; V82-L364 HydrophobicContact CG1-CD2 3.88Å; V82-L364 HydrophobicContact CG2-CB 4.46Å; V82-L364 HydrophobicContact CG2-CD2 4.03Å
83	N	92.9	Very high	89.1	Confident	0 Å²	0	36 Å²	36	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-71.6	-29.5	-178.1	-73.8	-75	0	0	0	113	L79 L86 L87 Y109 L290 S291 A292	L79-N83 VanDerWaalsContact O-CB 3.26Å; L79-N83 WeakPolarHBondContact O-CB 3.44Å; L79-N83 PolarHBondContact O-N 2.93Å; L79-N83 PolarHBondContact O-ND2 3.24Å; N83-L86 PolarHBondContact O-N 2.97Å; N83-L87 WeakPolarHBondContact O-CB 3.27Å; N83-L87 PolarHBondContact O-N 3.28Å; N83-Y109 HydrophobicContact CB-CE1 3.78Å; N83-L290 WeakPolarHBondContact CB-O 3.29Å; N83-L290 PolarHBondContact ND2-O 2.89Å; N83-S291 WeakPolarHBondContact OD1-CA 3.39Å; N83-A292 HydrophobicContact CB-CB 3.96Å; N83-A292 VanDerWaalsContact O-CB 3.3Å; N83-A292 WeakPolarHBondContact O-CB 3.3Å; N83-A292 PolarHBondContact OD1-N 3.27Å
84	K	92.2	Very high	87.8	Confident	51 Å²	51	35.2 Å²	35.2	22%	0.222	17%	0.172	C	C	.	.	H	α-helix	trans	-59.8	-46.7	170.2	-177.6	-178.6	176	-177.7	0	111.5	V80 H81 V82 L87 L88 Y109	V80-K84 WeakPolarHBondContact O-CB 3.39Å; V80-K84 PolarHBondContact O-N 2.85Å; H81-K84 PolarHBondContact O-N 3.41Å; V82-K84 PolarHBondContact O-N 2.86Å; K84-L87 PolarHBondContact O-N 2.95Å; K84-L88 WeakPolarHBondContact O-CG 3.39Å; K84-L88 PolarHBondContact O-N 3.45Å; K84-Y109 HydrophobicContact CB-CD2 4.14Å; K84-Y109 HydrophobicContact CB-CG 3.92Å; K84-Y109 HydrophobicContact CG-CG 4.46Å
85	N	88.4	Confident	86.2	Confident	53 Å²	53	37.9 Å²	37.9	28%	0.283	19%	0.189	S	C	.	.	H	α-helix	trans	-66.9	-44.1	178.7	-64.6	-20.5	0	0	0	110.9	H81 V82 L87 L88 D89	H81-N85 PolarHBondContact O-N 3.42Å; V82-N85 PolarHBondContact O-N 3.01Å; N85-L87 VanDerWaalsContact C-N 3.32Å; N85-L87 PolarHBondContact O-N 2.94Å; N85-L88 WeakPolarHBondContact O-CB 3.25Å; N85-L88 PolarHBondContact O-N 2.88Å; N85-L88 VanDerWaalsContact O-N 3.14Å; N85-D89 PolarHBondContact O-N 3.27Å
86	L	88.4	Confident	84.6	Confident	4 Å²	4	44.5 Å²	44.5	2%	0.021	22%	0.223	C	C	.	.	H	α-helix	trans	-58	-42.2	176.9	-119	85.2	0	0	0	112.5	V82 N83 L88 D89 F90 A292 L354 N357 Y361	V82-L86 HydrophobicContact CG1-CD1 4.17Å; V82-L86 PolarHBondContact O-N 2.66Å; N83-L86 PolarHBondContact O-N 2.97Å; L86-L88 VanDerWaalsContact C-N 3.29Å; L86-L88 PolarHBondContact O-N 3.08Å; L86-D89 PolarHBondContact O-N 3.3Å; L86-D89 VanDerWaalsContact O-N 3.1Å; L86-F90 HydrophobicContact CD2-CE2 4.45Å; L86-F90 HydrophobicContact CD2-CZ 3.98Å; L86-F90 WeakPolarHBondContact O-CG 3.45Å; L86-F90 PolarHBondContact O-N 3.46Å; L86-A292 HydrophobicContact CB-CB 3.66Å; L86-A292 HydrophobicContact CD2-CB 4.28Å; L86-L354 HydrophobicContact CD2-CD2 4.07Å; L86-N357 HydrophobicContact CD1-CB 3.85Å; L86-Y361 HydrophobicContact CD2-CD2 4.44Å
87	L	88.8	Confident	83.4	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-61.7	-39.5	178.5	-178.4	65	0	0	0	111.5	N83 K84 N85 D89 F90 A91 Y102 Y109 A292 V295 I299	N83-L87 WeakPolarHBondContact O-CB 3.27Å; N83-L87 PolarHBondContact O-N 3.28Å; K84-L87 PolarHBondContact O-N 2.95Å; N85-L87 VanDerWaalsContact C-N 3.32Å; N85-L87 PolarHBondContact O-N 2.94Å; L87-D89 VanDerWaalsContact C-N 3.28Å; L87-D89 PolarHBondContact O-N 3.47Å; L87-F90 PolarHBondContact O-N 3.5Å; L87-A91 PolarHBondContact O-N 2.95Å; L87-Y102 HydrophobicContact CD1-CD1 3.92Å; L87-Y102 HydrophobicContact CD1-CE1 4.45Å; L87-Y102 HydrophobicContact CG-CD1 4.41Å; L87-Y109 HydrophobicContact CB-CE2 4.28Å; L87-Y109 HydrophobicContact CD2-CD2 4.21Å; L87-Y109 HydrophobicContact CD2-CE2 3.86Å; L87-A292 HydrophobicContact CB-CB 4.24Å; L87-V295 HydrophobicContact CD1-CB 4.41Å; L87-V295 HydrophobicContact CD1-CG1 4.28Å; L87-V295 HydrophobicContact CD2-CB 4.38Å; L87-V295 HydrophobicContact CD2-CG1 3.77Å; L87-I299 HydrophobicContact CD1-CD1 4.45Å
88	L	84.1	Confident	82.6	Confident	52 Å²	52	47.1 Å²	47.1	27%	0.272	24%	0.24	S	C	.	.	H	α-helix	trans	-68.7	-28.7	175.8	-66.2	173.5	0	0	0	112.2	K84 N85 L86 A91 K92	K84-L88 WeakPolarHBondContact O-CG 3.39Å; K84-L88 PolarHBondContact O-N 3.45Å; N85-L88 WeakPolarHBondContact O-CB 3.25Å; N85-L88 PolarHBondContact O-N 2.88Å; N85-L88 VanDerWaalsContact O-N 3.14Å; L86-L88 VanDerWaalsContact C-N 3.29Å; L86-L88 PolarHBondContact O-N 3.08Å; L88-A91 WeakPolarHBondContact O-CB 3.47Å; L88-A91 PolarHBondContact O-N 3.06Å; L88-K92 PolarHBondContact O-N 3.49Å
89	D	83.7	Confident	81.9	Confident	36 Å²	36	46 Å²	46	19%	0.193	24%	0.237	C	C	.	.	H	α-helix	trans	-75.3	-39.1	175.3	-69.6	-29	0	0	0	112.3	N85 L86 L87 A91 K92 N357	N85-D89 PolarHBondContact O-N 3.27Å; L86-D89 PolarHBondContact O-N 3.3Å; L86-D89 VanDerWaalsContact O-N 3.1Å; L87-D89 VanDerWaalsContact C-N 3.28Å; L87-D89 PolarHBondContact O-N 3.47Å; D89-A91 PolarHBondContact O-N 3.27Å; D89-K92 PolarHBondContact O-N 3.05Å; D89-K92 VanDerWaalsContact O-N 3.16Å; D89-K92 IonicContact OD1-NZ 2.72Å; D89-K92 PolarHBondContact OD1-NZ 2.88Å; D89-N357 PolarHBondContact OD2-ND2 2.93Å
90	F	81.3	Confident	81.3	Confident	8 Å²	8	50.8 Å²	50.8	4%	0.035	26%	0.259	C	S	.	.	H	α-helix	trans	-57.6	-35.5	169.8	-64.4	-30.2	0	0	0	112.2	L86 L87 K92 T93 D94 A292 Y296 L350 Y353	L86-F90 HydrophobicContact CD2-CE2 4.45Å; L86-F90 HydrophobicContact CD2-CZ 3.98Å; L86-F90 WeakPolarHBondContact O-CG 3.45Å; L86-F90 PolarHBondContact O-N 3.46Å; L87-F90 PolarHBondContact O-N 3.5Å; F90-K92 VanDerWaalsContact C-N 3.32Å; F90-K92 PolarHBondContact O-N 3.44Å; F90-T93 PolarHBondContact O-N 3.08Å; F90-T93 PolarHBondContact O-OG1 3.25Å; F90-D94 PolarHBondContact O-N 3.47Å; F90-A292 HydrophobicContact CD2-CB 4.41Å; F90-A292 HydrophobicContact CE2-CB 3.88Å; F90-Y296 HydrophobicContact CB-CD2 3.62Å; F90-Y296 HydrophobicContact CB-CE2 3.91Å; F90-Y296 HydrophobicContact CB-CG 4.48Å; F90-Y296 AromaticContact CD2-CD2 3.97Å; F90-Y296 HydrophobicContact CD2-CD2 3.97Å; F90-Y296 HydrophobicContact CD2-CG 4.01Å; F90-Y296 HydrophobicContact CG-CD2 4.08Å; F90-Y296 HydrophobicContact CG-CG 4.49Å; F90-L350 HydrophobicContact CE1-CD1 4.17Å; F90-L350 HydrophobicContact CE2-CD1 4.32Å; F90-L350 HydrophobicContact CZ-CD1 3.8Å; F90-Y353 AromaticContact CD1-CD1 3.75Å; F90-Y353 HydrophobicContact CD1-CD1 3.75Å; F90-Y353 HydrophobicContact CD1-CE1 4.32Å; F90-Y353 HydrophobicContact CD1-CG 4.38Å; F90-Y353 AromaticContact CE1-CD1 3.81Å; F90-Y353 HydrophobicContact CE1-CD1 3.81Å; F90-Y353 HydrophobicContact CE1-CG 4.37Å
91	A	76.7	Confident	81	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-63.8	-36.1	178.6	0	0	0	0	0	112.8	L87 L88 D89 T93 M99 Y102	L87-A91 PolarHBondContact O-N 2.95Å; L88-A91 WeakPolarHBondContact O-CB 3.47Å; L88-A91 PolarHBondContact O-N 3.06Å; D89-A91 PolarHBondContact O-N 3.27Å; A91-T93 PolarHBondContact O-N 3.32Å; A91-M99 HydrophobicContact CB-CE 3.8Å; A91-M99 HydrophobicContact CB-SD 3.36Å; A91-M99 WeakPolarHBondContact CB-SD 3.3Å; A91-Y102 VanDerWaalsContact CB-CB 3.41Å; A91-Y102 HydrophobicContact CB-CD1 4.07Å; A91-Y102 HydrophobicContact CB-CD2 3.4Å; A91-Y102 VanDerWaalsContact CB-CD2 3.4Å; A91-Y102 HydrophobicContact CB-CE2 4.17Å; A91-Y102 HydrophobicContact CB-CG 3.34Å
92	K	75.3	Confident	80.7	Confident	141 Å²	141	46.6 Å²	46.6	61%	0.613	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-17.1	-178.8	-68.3	169.6	-171.3	160	0	113.4	L88 D89 F90	L88-K92 PolarHBondContact O-N 3.49Å; D89-K92 PolarHBondContact O-N 3.05Å; D89-K92 VanDerWaalsContact O-N 3.16Å; D89-K92 IonicContact OD1-NZ 2.72Å; D89-K92 PolarHBondContact OD1-NZ 2.88Å; F90-K92 VanDerWaalsContact C-N 3.32Å; F90-K92 PolarHBondContact O-N 3.44Å
93	T	69.7	Low	80.4	Confident	69 Å²	69	49.7 Å²	49.7	42%	0.423	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.7	-22.4	-174.7	50.5	0	0	0	0	115.6	F90 A91 Y353	F90-T93 PolarHBondContact O-N 3.08Å; F90-T93 PolarHBondContact O-OG1 3.25Å; A91-T93 PolarHBondContact O-N 3.32Å; T93-Y353 HydrophobicContact CG2-CE1 4.36Å; T93-Y353 HydrophobicContact CG2-CE2 3.49Å; T93-Y353 VanDerWaalsContact CG2-CE2 3.49Å; T93-Y353 WeakPolarHBondContact CG2-OH 3.35Å
94	D	66.8	Low	80	Confident	27 Å²	27	53.7 Å²	53.7	14%	0.144	27%	0.274	C	S	.	.	S	Bend	trans	-68.4	159.1	161.3	-81.7	18.5	0	0	0	108.7	F90 I96 Y102 Y296 K300	F90-D94 PolarHBondContact O-N 3.47Å; D94-I96 PolarHBondContact O-N 3.19Å; D94-I96 VanDerWaalsContact O-N 3.15Å; D94-Y102 HydrophobicContact CB-CE2 4.24Å; D94-Y102 PolarHBondContact OD2-OH 3.38Å; D94-Y296 PolarHBondContact OD1-OH 3.48Å; D94-Y296 VanDerWaalsContact OD1-OH 3.05Å; D94-Y296 PolarHBondContact OD2-OH 3.13Å; D94-K300 WeakPolarHBondContact OD2-CD 3.21Å; D94-K300 IonicContact OD2-NZ 2.7Å; D94-K300 PolarHBondContact OD2-NZ 3.23Å
95	D	63.2	Low	79.8	Confident	135 Å²	135	51.4 Å²	51.4	72%	0.722	27%	0.265	S	S	*	.			trans	-50.4	128	172.2	-80.7	-41.6	0	0	0	108.8	T97 D98	D95-T97 PolarHBondContact O-N 2.94Å; D95-T97 PolarHBondContact O-OG1 3.31Å; D95-D98 PolarHBondContact O-N 3.42Å; D95-D98 VanDerWaalsContact O-N 3.11Å
96	I	61.6	Low	79.7	Confident	139 Å²	139	49.5 Å²	49.5	71%	0.713	26%	0.255	S	S	*	.	G	3₁₀ helix	trans	-50	-19.3	-174.1	-66.6	170.4	0	0	0	112.4	D94 D98 M99	D94-I96 PolarHBondContact O-N 3.19Å; D94-I96 VanDerWaalsContact O-N 3.15Å; I96-D98 VanDerWaalsContact C-N 3.32Å; I96-D98 PolarHBondContact O-N 3.33Å; I96-M99 HydrophobicContact CG2-CG 4.16Å; I96-M99 WeakPolarHBondContact O-CB 3.39Å; I96-M99 WeakPolarHBondContact O-CG 3.44Å; I96-M99 PolarHBondContact O-N 3.29Å
97	T	70.3	Confident	79.8	Confident	84 Å²	84	54.4 Å²	54.4	52%	0.515	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-48	-52	174.5	56.2	0	0	0	0	111.3	D95 M99 Y142	D95-T97 PolarHBondContact O-N 2.94Å; D95-T97 PolarHBondContact O-OG1 3.31Å; T97-M99 PolarHBondContact O-N 2.89Å; T97-M99 VanDerWaalsContact O-N 3.09Å; T97-Y142 VanDerWaalsContact O-CZ 3.31Å; T97-Y142 PolarHBondContact O-OH 3.39Å
98	D	78.2	Confident	79.9	Confident	20 Å²	20	54.9 Å²	54.9	11%	0.107	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-81.3	6.1	-170.8	-66.6	-28.2	0	0	0	114.4	D95 I96 E100 L101 Y102 I303	D95-D98 PolarHBondContact O-N 3.42Å; D95-D98 VanDerWaalsContact O-N 3.11Å; I96-D98 VanDerWaalsContact C-N 3.32Å; I96-D98 PolarHBondContact O-N 3.33Å; D98-E100 PolarHBondContact O-N 3.16Å; D98-E100 VanDerWaalsContact O-N 3.09Å; D98-L101 HydrophobicContact CB-CD1 4.45Å; D98-L101 WeakPolarHBondContact O-CB 3.49Å; D98-L101 PolarHBondContact O-N 3.44Å; D98-Y102 HydrophobicContact CB-CD2 4.43Å; D98-Y102 HydrophobicContact CB-CE2 3.91Å; D98-Y102 WeakPolarHBondContact O-CD2 3.29Å; D98-Y102 PolarHBondContact O-N 3.44Å; D98-I303 HydrophobicContact CB-CD1 4.49Å
99	M	82.3	Confident	80.4	Confident	50 Å²	50	52.4 Å²	52.4	25%	0.246	27%	0.266	C	S	.	.	H	α-helix	trans	-51.6	-36.4	-178.1	-79	-62.1	-54.4	0	0	113.7	A91 I96 T97 L101 Y102 I103	A91-M99 HydrophobicContact CB-CE 3.8Å; A91-M99 HydrophobicContact CB-SD 3.36Å; A91-M99 WeakPolarHBondContact CB-SD 3.3Å; I96-M99 HydrophobicContact CG2-CG 4.16Å; I96-M99 WeakPolarHBondContact O-CB 3.39Å; I96-M99 WeakPolarHBondContact O-CG 3.44Å; I96-M99 PolarHBondContact O-N 3.29Å; T97-M99 PolarHBondContact O-N 2.89Å; T97-M99 VanDerWaalsContact O-N 3.09Å; M99-L101 VanDerWaalsContact C-N 3.29Å; M99-L101 PolarHBondContact O-N 2.92Å; M99-Y102 PolarHBondContact O-N 3.2Å; M99-I103 WeakPolarHBondContact O-CG1 3.46Å; M99-I103 PolarHBondContact O-N 2.88Å
100	E	82.6	Confident	80.8	Confident	99 Å²	99	54.9 Å²	54.9	46%	0.463	28%	0.276	S	S	.	.	H	α-helix	trans	-64	-33.5	179.3	-62	-168.9	155.3	0	0	112.9	D98 I103 H104 Y142	D98-E100 PolarHBondContact O-N 3.16Å; D98-E100 VanDerWaalsContact O-N 3.09Å; E100-I103 PolarHBondContact O-N 3.32Å; E100-H104 PolarHBondContact O-N 3.27Å; E100-H104 PolarHBondContact O-ND1 3.45Å; E100-Y142 HydrophobicContact CB-CD2 4.36Å; E100-Y142 HydrophobicContact CB-CE2 4.04Å; E100-Y142 HydrophobicContact CG-CE2 4.3Å
101	L	88.6	Confident	81.2	Confident	2 Å²	2	56.6 Å²	56.6	1%	0.01	29%	0.289	C	S	.	.	H	α-helix	trans	-70.5	-37.7	177.6	-63.1	176.5	0	0	0	110.9	D98 M99 H104 G105 I139 Y142 I299 I303	D98-L101 HydrophobicContact CB-CD1 4.45Å; D98-L101 WeakPolarHBondContact O-CB 3.49Å; D98-L101 PolarHBondContact O-N 3.44Å; M99-L101 VanDerWaalsContact C-N 3.29Å; M99-L101 PolarHBondContact O-N 2.92Å; L101-H104 WeakPolarHBondContact O-CB 3.43Å; L101-H104 PolarHBondContact O-N 2.85Å; L101-G105 PolarHBondContact O-N 3.41Å; L101-I139 HydrophobicContact CD1-CG1 4.28Å; L101-I139 HydrophobicContact CD2-CB 4.49Å; L101-I139 HydrophobicContact CD2-CG1 3.91Å; L101-Y142 HydrophobicContact CD1-CG 4.35Å; L101-Y142 HydrophobicContact CD2-CD2 4.3Å; L101-Y142 HydrophobicContact CD2-CG 4.4Å; L101-Y142 HydrophobicContact CG-CD2 4.16Å; L101-Y142 HydrophobicContact CG-CG 4.35Å; L101-I299 HydrophobicContact CB-CG2 4.17Å; L101-I303 HydrophobicContact CD1-CD1 3.75Å; L101-I303 HydrophobicContact CD1-CG1 3.92Å
102	Y	87.8	Confident	81.9	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-68.4	-37.1	174.2	-64.3	-68.5	0	0	0	112.6	L87 A91 D94 D98 M99 H104 G105 S106 Y296 I299 K300	L87-Y102 HydrophobicContact CD1-CD1 3.92Å; L87-Y102 HydrophobicContact CD1-CE1 4.45Å; L87-Y102 HydrophobicContact CG-CD1 4.41Å; A91-Y102 VanDerWaalsContact CB-CB 3.41Å; A91-Y102 HydrophobicContact CB-CD1 4.07Å; A91-Y102 HydrophobicContact CB-CD2 3.4Å; A91-Y102 VanDerWaalsContact CB-CD2 3.4Å; A91-Y102 HydrophobicContact CB-CE2 4.17Å; A91-Y102 HydrophobicContact CB-CG 3.34Å; D94-Y102 HydrophobicContact CB-CE2 4.24Å; D94-Y102 PolarHBondContact OD2-OH 3.38Å; D98-Y102 HydrophobicContact CB-CD2 4.43Å; D98-Y102 HydrophobicContact CB-CE2 3.91Å; D98-Y102 WeakPolarHBondContact O-CD2 3.29Å; D98-Y102 PolarHBondContact O-N 3.44Å; M99-Y102 PolarHBondContact O-N 3.2Å; Y102-H104 VanDerWaalsContact C-N 3.33Å; Y102-G105 CarbonylContact O-C 3.41Å; Y102-G105 PolarHBondContact O-N 3.16Å; Y102-S106 PolarHBondContact O-N 3.24Å; Y102-Y296 AromaticContact CE1-CD2 3.58Å; Y102-Y296 HydrophobicContact CE1-CD2 3.58Å; Y102-Y296 AromaticContact CE1-CE2 3.95Å; Y102-Y296 HydrophobicContact CE1-CE2 3.95Å; Y102-Y296 AromaticContact CZ-CE2 3.94Å; Y102-Y296 VanDerWaalsContact OH-CE2 3.25Å; Y102-Y296 WeakPolarHBondContact OH-CE2 3.46Å; Y102-I299 HydrophobicContact CD1-CD1 3.63Å; Y102-I299 HydrophobicContact CE1-CB 4.4Å; Y102-I299 HydrophobicContact CE1-CD1 3.86Å; Y102-I299 HydrophobicContact CE1-CG2 4.06Å; Y102-I299 HydrophobicContact CG-CD1 4.46Å; Y102-K300 WeakPolarHBondContact OH-CD 3.32Å
103	I	85.6	Confident	82.7	Confident	74 Å²	74	50.8 Å²	50.8	38%	0.379	26%	0.264	S	S	.	.	H	α-helix	trans	-60.6	-44.5	171.3	-68.6	167	0	0	0	110	M99 E100 G105 S106 F107	M99-I103 WeakPolarHBondContact O-CG1 3.46Å; M99-I103 PolarHBondContact O-N 2.88Å; E100-I103 PolarHBondContact O-N 3.32Å; I103-G105 PolarHBondContact O-N 3.02Å; I103-S106 WeakPolarHBondContact O-CB 3.44Å; I103-S106 PolarHBondContact O-N 2.97Å; I103-S106 PolarHBondContact O-OG 3.18Å; I103-F107 HydrophobicContact CG2-CE2 4.15Å; I103-F107 HydrophobicContact CG2-CZ 4.12Å; I103-F107 PolarHBondContact O-N 2.66Å
104	H	84.2	Confident	83.7	Confident	83 Å²	83	50.1 Å²	50.1	38%	0.384	26%	0.256	S	S	.	.	H	α-helix	trans	-61.1	-42.5	174.1	-79.7	90.7	0	0	0	112.5	E100 L101 Y102 S106 F107 S138	E100-H104 PolarHBondContact O-N 3.27Å; E100-H104 PolarHBondContact O-ND1 3.45Å; L101-H104 WeakPolarHBondContact O-CB 3.43Å; L101-H104 PolarHBondContact O-N 2.85Å; Y102-H104 VanDerWaalsContact C-N 3.33Å; H104-S106 PolarHBondContact O-N 3.3Å; H104-F107 WeakPolarHBondContact O-CB 3.44Å; H104-F107 PolarHBondContact O-N 3.38Å; H104-F107 VanDerWaalsContact O-N 3.13Å; H104-S138 PolarHBondContact CD2-OG 3.41Å
105	G	88.3	Confident	84.8	Confident	3 Å²	3	50.2 Å²	50.2	3%	0.031	26%	0.256	C	S	.	.	H	α-helix	trans	-58.8	-34.3	171.8	0	0	0	0	0	112.9	L101 Y102 I103 F107 F108	L101-G105 PolarHBondContact O-N 3.41Å; Y102-G105 CarbonylContact O-C 3.41Å; Y102-G105 PolarHBondContact O-N 3.16Å; I103-G105 PolarHBondContact O-N 3.02Å; G105-F107 VanDerWaalsContact C-N 3.3Å; G105-F107 PolarHBondContact O-N 3.16Å; G105-F108 WeakPolarHBondContact O-CB 3.26Å; G105-F108 PolarHBondContact O-N 3.43Å
106	S	87.3	Confident	86.2	Confident	13 Å²	13	44.3 Å²	44.3	9%	0.091	22%	0.224	C	C	.	.	H	α-helix	trans	-68.7	-25.1	176.9	85.7	0	0	0	0	113.8	Y102 I103 H104 F108 Y109 H110	Y102-S106 PolarHBondContact O-N 3.24Å; I103-S106 WeakPolarHBondContact O-CB 3.44Å; I103-S106 PolarHBondContact O-N 2.97Å; I103-S106 PolarHBondContact O-OG 3.18Å; H104-S106 PolarHBondContact O-N 3.3Å; S106-F108 VanDerWaalsContact C-N 3.31Å; S106-F108 PolarHBondContact O-N 3.37Å; S106-Y109 PolarHBondContact O-N 3.03Å; S106-H110 PolarHBondContact O-N 3.3Å
107	F	89.2	Confident	87.5	Confident	108 Å²	108	44.2 Å²	44.2	47%	0.474	22%	0.215	S	C	.	.	H	α-helix	trans	-67.3	-31.8	174.9	-67.8	-46.6	0	0	0	112.4	I103 H104 G105 Y109 H110 S111	I103-F107 HydrophobicContact CG2-CE2 4.15Å; I103-F107 HydrophobicContact CG2-CZ 4.12Å; I103-F107 PolarHBondContact O-N 2.66Å; H104-F107 WeakPolarHBondContact O-CB 3.44Å; H104-F107 PolarHBondContact O-N 3.38Å; H104-F107 VanDerWaalsContact O-N 3.13Å; G105-F107 VanDerWaalsContact C-N 3.3Å; G105-F107 PolarHBondContact O-N 3.16Å; F107-Y109 VanDerWaalsContact C-N 3.32Å; F107-Y109 PolarHBondContact O-N 3.33Å; F107-H110 PolarHBondContact O-N 3Å; F107-S111 PolarHBondContact O-N 3.35Å; F107-S111 PolarHBondContact O-OG 3.34Å
108	F	92.2	Very high	88.3	Confident	9 Å²	9	46.3 Å²	46.3	4%	0.039	22%	0.22	C	C	.	.	H	α-helix	trans	-55.3	-50.7	170.8	156.7	-99.1	0	0	0	110.4	G105 S106 H110 S111 V112 I128 H131 W180 F289 L290 V295	G105-F108 WeakPolarHBondContact O-CB 3.26Å; G105-F108 PolarHBondContact O-N 3.43Å; S106-F108 VanDerWaalsContact C-N 3.31Å; S106-F108 PolarHBondContact O-N 3.37Å; F108-H110 VanDerWaalsContact C-N 3.33Å; F108-H110 PolarHBondContact O-N 2.02Å; F108-S111 PolarHBondContact O-N 3.02Å; F108-S111 VanDerWaalsContact O-N 3.16Å; F108-V112 HydrophobicContact CD2-CG1 3.99Å; F108-V112 HydrophobicContact CE1-CG2 4.35Å; F108-V112 HydrophobicContact CE2-CG1 3.53Å; F108-V112 HydrophobicContact CZ-CG1 3.91Å; F108-V112 HydrophobicContact CZ-CG2 4.27Å; F108-V112 WeakPolarHBondContact O-CG2 3.05Å; F108-V112 PolarHBondContact O-N 2.84Å; F108-I128 HydrophobicContact CE2-CD1 4.17Å; F108-I128 HydrophobicContact CE2-CG2 4.38Å; F108-H131 HydrophobicContact CB-CB 4.47Å; F108-H131 HydrophobicContact CD2-CB 4.04Å; F108-W180 HydrophobicContact CD2-CH2 4.09Å; F108-W180 HydrophobicContact CD2-CZ2 4.33Å; F108-W180 HydrophobicContact CE1-CZ2 4.05Å; F108-W180 AromaticContact CE2-CH2 3.73Å; F108-W180 HydrophobicContact CE2-CH2 3.73Å; F108-W180 AromaticContact CE2-CZ2 3.67Å; F108-W180 HydrophobicContact CE2-CZ2 3.67Å; F108-W180 HydrophobicContact CZ-CH2 4.09Å; F108-W180 AromaticContact CZ-CZ2 3.53Å; F108-W180 HydrophobicContact CZ-CZ2 3.53Å; F108-F289 HydrophobicContact CE2-CE2 4.2Å; F108-F289 AromaticContact CE2-CZ 3.86Å; F108-F289 HydrophobicContact CE2-CZ 3.86Å; F108-F289 HydrophobicContact CZ-CE1 4.35Å; F108-F289 AromaticContact CZ-CE2 3.93Å; F108-F289 HydrophobicContact CZ-CE2 3.93Å; F108-F289 AromaticContact CZ-CZ 3.63Å; F108-F289 HydrophobicContact CZ-CZ 3.63Å; F108-L290 HydrophobicContact CZ-CD2 4.38Å; F108-V295 HydrophobicContact CD1-CG2 4.2Å; F108-V295 HydrophobicContact CE1-CG2 4.18Å
109	Y	94.1	Very high	88.7	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-58.6	-43.4	178.8	-75.6	-64.8	0	0	0	112.8	V80 N83 K84 L87 S106 F107 S111 V112 E113 L290 S291 A292 V295	V80-Y109 HydrophobicContact CB-CD1 4.5Å; V80-Y109 HydrophobicContact CG1-CD1 4.12Å; V80-Y109 WeakPolarHBondContact CG1-O 3.39Å; N83-Y109 HydrophobicContact CB-CE1 3.78Å; K84-Y109 HydrophobicContact CB-CD2 4.14Å; K84-Y109 HydrophobicContact CB-CG 3.92Å; K84-Y109 HydrophobicContact CG-CG 4.46Å; L87-Y109 HydrophobicContact CB-CE2 4.28Å; L87-Y109 HydrophobicContact CD2-CD2 4.21Å; L87-Y109 HydrophobicContact CD2-CE2 3.86Å; S106-Y109 PolarHBondContact O-N 3.03Å; F107-Y109 VanDerWaalsContact C-N 3.32Å; F107-Y109 PolarHBondContact O-N 3.33Å; Y109-S111 VanDerWaalsContact C-N 3.34Å; Y109-S111 PolarHBondContact O-N 3.08Å; Y109-V112 HydrophobicContact CD1-CG2 4.43Å; Y109-V112 VanDerWaalsContact O-CG2 3.3Å; Y109-V112 WeakPolarHBondContact O-CG2 2.95Å; Y109-V112 PolarHBondContact O-N 3.42Å; Y109-E113 WeakPolarHBondContact O-CB 3.19Å; Y109-E113 PolarHBondContact O-N 3.05Å; Y109-L290 WeakPolarHBondContact CE1-O 3.31Å; Y109-L290 PolarHBondContact OH-O 3.38Å; Y109-S291 PolarHBondContact OH-O 3.15Å; Y109-A292 VanDerWaalsContact OH-CA 3.24Å; Y109-A292 WeakPolarHBondContact OH-CA 3.44Å; Y109-A292 PolarHBondContact OH-N 2.76Å; Y109-A292 VanDerWaalsContact OH-N 3.15Å; Y109-V295 HydrophobicContact CE2-CG2 4.12Å; Y109-V295 WeakPolarHBondContact OH-CG2 3.47Å
110	H	90.6	Very high	88.6	Confident	89 Å²	89	46.2 Å²	46.2	41%	0.412	22%	0.221	S	C	.	.	H	α-helix	trans	-61.6	-43.1	177.4	-175.4	51.9	0	0	0	112.2	S106 F107 F108 E113 E114	S106-H110 PolarHBondContact O-N 3.3Å; F107-H110 PolarHBondContact O-N 3Å; F108-H110 VanDerWaalsContact C-N 3.33Å; F108-H110 PolarHBondContact O-N 2.02Å; H110-E113 WeakPolarHBondContact O-CB 3.27Å; H110-E113 PolarHBondContact O-N 2.76Å; H110-E114 PolarHBondContact O-N 3.3Å
111	S	90.3	Very high	88.6	Confident	44 Å²	44	44.5 Å²	44.5	31%	0.308	22%	0.223	S	C	.	.	H	α-helix	trans	-67	-42.3	177.9	-69.1	0	0	0	0	112.8	F107 F108 Y109 E113 E114 M115 H131	F107-S111 PolarHBondContact O-N 3.35Å; F107-S111 PolarHBondContact O-OG 3.34Å; F108-S111 PolarHBondContact O-N 3.02Å; F108-S111 VanDerWaalsContact O-N 3.16Å; Y109-S111 VanDerWaalsContact C-N 3.34Å; Y109-S111 PolarHBondContact O-N 3.08Å; S111-E113 VanDerWaalsContact C-N 3.34Å; S111-E114 PolarHBondContact O-N 2.96Å; S111-M115 WeakPolarHBondContact O-CG 3.5Å; S111-M115 PolarHBondContact O-N 2.96Å; S111-M115 VanDerWaalsContact O-N 3.15Å; S111-H131 WeakPolarHBondContact CB-CE1 3.29Å; S111-H131 WeakPolarHBondContact CB-NE2 3.37Å; S111-H131 PolarHBondContact OG-CE1 3.4Å
112	V	92.2	Very high	88.4	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-69.5	-30.8	176.6	-63	0	0	0	0	112.6	V80 F108 Y109 M115 F116 I128 L290	V80-V112 HydrophobicContact CG1-CG2 4.25Å; V80-V112 HydrophobicContact CG2-CG2 3.66Å; F108-V112 HydrophobicContact CD2-CG1 3.99Å; F108-V112 HydrophobicContact CE1-CG2 4.35Å; F108-V112 HydrophobicContact CE2-CG1 3.53Å; F108-V112 HydrophobicContact CZ-CG1 3.91Å; F108-V112 HydrophobicContact CZ-CG2 4.27Å; F108-V112 WeakPolarHBondContact O-CG2 3.05Å; F108-V112 PolarHBondContact O-N 2.84Å; Y109-V112 HydrophobicContact CD1-CG2 4.43Å; Y109-V112 VanDerWaalsContact O-CG2 3.3Å; Y109-V112 WeakPolarHBondContact O-CG2 2.95Å; Y109-V112 PolarHBondContact O-N 3.42Å; V112-M115 HydrophobicContact CB-CE 4.2Å; V112-M115 HydrophobicContact CG1-CE 3.68Å; V112-M115 PolarHBondContact O-N 3.06Å; V112-F116 HydrophobicContact CB-CD2 4.43Å; V112-F116 HydrophobicContact CB-CE2 4.47Å; V112-F116 WeakPolarHBondContact O-CD2 3.43Å; V112-F116 PolarHBondContact O-N 3.16Å; V112-I128 HydrophobicContact CG1-CD1 3.74Å; V112-L290 HydrophobicContact CG2-CD2 4.16Å
113	E	92.5	Very high	88.4	Confident	19 Å²	19	50.3 Å²	50.3	9%	0.089	25%	0.251	C	S	.	.	H	α-helix	trans	-56.9	-51.6	173.5	-163.7	177.7	170.9	0	0	111	L77 V80 Y109 H110 S111 M115 F116 R117	L77-E113 HydrophobicContact CD2-CG 4.48Å; V80-E113 HydrophobicContact CG1-CB 3.68Å; V80-E113 HydrophobicContact CG1-CG 4.07Å; Y109-E113 WeakPolarHBondContact O-CB 3.19Å; Y109-E113 PolarHBondContact O-N 3.05Å; H110-E113 WeakPolarHBondContact O-CB 3.27Å; H110-E113 PolarHBondContact O-N 2.76Å; S111-E113 VanDerWaalsContact C-N 3.34Å; E113-M115 VanDerWaalsContact C-N 3.35Å; E113-M115 PolarHBondContact O-N 3.48Å; E113-F116 PolarHBondContact O-N 3.46Å; E113-R117 WeakPolarHBondContact O-CG 2.8Å; E113-R117 PolarHBondContact O-N 3.03Å; E113-R117 IonicContact OE1-CZ 3.89Å; E113-R117 IonicContact OE1-NE 3.37Å; E113-R117 IonicContact OE1-NH1 3.92Å; E113-R117 PolarHBondContact OE1-NH1 3.42Å; E113-R117 IonicContact OE1-NH2 3.58Å; E113-R117 PolarHBondContact OE1-NH2 3.08Å
114	E	89.2	Confident	88.5	Confident	55 Å²	55	48.8 Å²	48.8	26%	0.257	25%	0.247	S	C	.	.	H	α-helix	trans	-65.9	-38.5	-178.5	-67.2	-56.3	119.9	0	0	111.7	H110 S111 R117 M118	H110-E114 PolarHBondContact O-N 3.3Å; S111-E114 PolarHBondContact O-N 2.96Å; E114-R117 PolarHBondContact O-N 3.48Å; E114-R117 IonicContact OE1-NH1 3.28Å; E114-R117 PolarHBondContact OE1-NH1 3.38Å; E114-R117 VanDerWaalsContact OE1-NH1 3.08Å; E114-M118 HydrophobicContact CB-CE 4.47Å; E114-M118 PolarHBondContact O-N 3.49Å; E114-M118 WeakPolarHBondContact OE2-CE 3.29Å
115	M	90.5	Very high	88.7	Confident	29 Å²	29	50.4 Å²	50.4	14%	0.143	25%	0.25	C	S	.	.	H	α-helix	trans	-63.1	-45.8	173.4	-69.8	-169.7	-70.5	0	0	112	S111 V112 E113 R117 M118 L119 P120 I123 V127 I128	S111-M115 WeakPolarHBondContact O-CG 3.5Å; S111-M115 PolarHBondContact O-N 2.96Å; S111-M115 VanDerWaalsContact O-N 3.15Å; V112-M115 HydrophobicContact CB-CE 4.2Å; V112-M115 HydrophobicContact CG1-CE 3.68Å; V112-M115 PolarHBondContact O-N 3.06Å; E113-M115 VanDerWaalsContact C-N 3.35Å; E113-M115 PolarHBondContact O-N 3.48Å; M115-R117 VanDerWaalsContact C-N 3.27Å; M115-R117 PolarHBondContact O-N 2.95Å; M115-M118 PolarHBondContact O-N 3.05Å; M115-L119 CarbonylContact O-C 3.59Å; M115-L119 PolarHBondContact O-N 3.28Å; M115-P120 WeakPolarHBondContact O-CA 3.35Å; M115-I123 HydrophobicContact CB-CD1 4Å; M115-I123 HydrophobicContact CB-CG1 3.58Å; M115-I123 HydrophobicContact CE-CG1 4.13Å; M115-I123 HydrophobicContact CE-CG2 4.45Å; M115-I123 HydrophobicContact CG-CG1 4.34Å; M115-I123 HydrophobicContact SD-CG1 3.9Å; M115-V127 HydrophobicContact CE-CG1 3.77Å; M115-V127 HydrophobicContact SD-CB 4.4Å; M115-V127 HydrophobicContact SD-CG1 3.56Å; M115-V127 VanDerWaalsContact SD-CG1 3.56Å; M115-I128 HydrophobicContact CE-CD1 3.95Å
116	F	92.1	Very high	88.8	Confident	11 Å²	11	56.1 Å²	56.1	5%	0.048	28%	0.28	C	S	.	.	H	α-helix	trans	-64.4	-32	177.7	-82.8	-63.2	0	0	0	113	P76 L77 V80 V112 E113 P120 I123 L188 Y191 L286 L290	P76-F116 HydrophobicContact CB-CB 4.31Å; P76-F116 HydrophobicContact CB-CD1 3.51Å; P76-F116 HydrophobicContact CB-CD2 3.79Å; P76-F116 HydrophobicContact CB-CE1 3.62Å; P76-F116 HydrophobicContact CB-CE2 3.89Å; P76-F116 HydrophobicContact CB-CG 3.61Å; P76-F116 HydrophobicContact CB-CZ 3.81Å; P76-F116 HydrophobicContact CG-CB 4.44Å; P76-F116 HydrophobicContact CG-CD1 3.75Å; P76-F116 HydrophobicContact CG-CE1 4.14Å; P76-F116 HydrophobicContact CG-CG 4.08Å; L77-F116 HydrophobicContact CD2-CB 3.75Å; V80-F116 HydrophobicContact CG2-CD2 4.28Å; V112-F116 HydrophobicContact CB-CD2 4.43Å; V112-F116 HydrophobicContact CB-CE2 4.47Å; V112-F116 WeakPolarHBondContact O-CD2 3.43Å; V112-F116 PolarHBondContact O-N 3.16Å; E113-F116 PolarHBondContact O-N 3.46Å; F116-P120 HydrophobicContact CD1-CB 4.14Å; F116-I123 HydrophobicContact CD1-CD1 3.61Å; F116-I123 HydrophobicContact CD2-CD1 3.9Å; F116-I123 HydrophobicContact CE1-CD1 3.47Å; F116-I123 VanDerWaalsContact CE1-CD1 3.47Å; F116-I123 HydrophobicContact CE2-CD1 3.77Å; F116-I123 HydrophobicContact CG-CD1 3.82Å; F116-I123 HydrophobicContact CZ-CD1 3.55Å; F116-L188 HydrophobicContact CE1-CD1 4.06Å; F116-L188 HydrophobicContact CZ-CD1 4.29Å; F116-Y191 HydrophobicContact CD1-CE1 4.14Å; F116-Y191 HydrophobicContact CE1-CD1 4.15Å; F116-Y191 AromaticContact CE1-CE1 4Å; F116-Y191 HydrophobicContact CE1-CE1 4Å; F116-L286 HydrophobicContact CZ-CD1 4.16Å; F116-L290 HydrophobicContact CE2-CD1 4.05Å; F116-L290 HydrophobicContact CE2-CD2 4.29Å; F116-L290 HydrophobicContact CZ-CD1 4.45Å
117	R	88.7	Confident	88.9	Confident	136 Å²	136	58 Å²	58	51%	0.513	29%	0.291	S	S	.	.	H	α-helix	trans	-70.8	-50.8	175.9	-76.7	-177.2	172.5	151.3	5.1	112.8	L77 E113 E114 M115	L77-R117 HydrophobicContact CD1-CG 4.15Å; L77-R117 HydrophobicContact CD2-CG 3.62Å; E113-R117 WeakPolarHBondContact O-CG 2.8Å; E113-R117 PolarHBondContact O-N 3.03Å; E113-R117 IonicContact OE1-CZ 3.89Å; E113-R117 IonicContact OE1-NE 3.37Å; E113-R117 IonicContact OE1-NH1 3.92Å; E113-R117 PolarHBondContact OE1-NH1 3.42Å; E113-R117 IonicContact OE1-NH2 3.58Å; E113-R117 PolarHBondContact OE1-NH2 3.08Å; E114-R117 PolarHBondContact O-N 3.48Å; E114-R117 IonicContact OE1-NH1 3.28Å; E114-R117 PolarHBondContact OE1-NH1 3.38Å; E114-R117 VanDerWaalsContact OE1-NH1 3.08Å; M115-R117 VanDerWaalsContact C-N 3.27Å; M115-R117 PolarHBondContact O-N 2.95Å
118	M	88	Confident	89.1	Confident	129 Å²	129	52.9 Å²	52.9	64%	0.635	27%	0.268	S	S	*	.	H	α-helix	trans	-92.6	-53.4	-169.6	-57.6	-164.5	-147.3	0	0	112.1	E114 M115	E114-M118 HydrophobicContact CB-CE 4.47Å; E114-M118 PolarHBondContact O-N 3.49Å; E114-M118 WeakPolarHBondContact OE2-CE 3.29Å; M115-M118 PolarHBondContact O-N 3.05Å
119	L	85.6	Confident	89.1	Confident	63 Å²	63	54 Å²	54	33%	0.33	28%	0.275	S	S	.	.			trans	-143	65	-163.3	-67.4	159.1	0	0	0	110.1	M115 A121 E122	M115-L119 CarbonylContact O-C 3.59Å; M115-L119 PolarHBondContact O-N 3.28Å; L119-A121 PolarHBondContact O-N 3.49Å; L119-A121 VanDerWaalsContact O-N 3.08Å; L119-E122 HydrophobicContact CB-CB 4.08Å; L119-E122 HydrophobicContact CB-CG 3.82Å; L119-E122 VanDerWaalsContact CD1-OE2 3.23Å; L119-E122 WeakPolarHBondContact CD1-OE2 3.23Å; L119-E122 WeakPolarHBondContact O-CB 2.97Å; L119-E122 PolarHBondContact O-N 3.49Å
120	P	82.2	Confident	89	Confident	5 Å²	5	58.8 Å²	58.8	3%	0.032	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-63.3	-22.1	-175	24.5	-35.8	0	0	0	113.1	M115 F116 E122 Y191 L192	M115-P120 WeakPolarHBondContact O-CA 3.35Å; F116-P120 HydrophobicContact CD1-CB 4.14Å; P120-E122 VanDerWaalsContact C-N 3.26Å; P120-E122 PolarHBondContact O-N 3.48Å; P120-Y191 HydrophobicContact CB-CE1 4.5Å; P120-L192 HydrophobicContact CB-CD2 4.11Å
121	A	81.6	Confident	89	Confident	62 Å²	62	56.1 Å²	56.1	51%	0.512	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-74.6	-14	174.8	0	0	0	0	0	113.4	L119	L119-A121 PolarHBondContact O-N 3.49Å; L119-A121 VanDerWaalsContact O-N 3.08Å
122	E	85.3	Confident	89.2	Confident	116 Å²	116	54.5 Å²	54.5	54%	0.542	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-89.5	-6.4	177.6	-66	-175.8	176.2	0	0	113.1	L119 P120 S124	L119-E122 HydrophobicContact CB-CB 4.08Å; L119-E122 HydrophobicContact CB-CG 3.82Å; L119-E122 VanDerWaalsContact CD1-OE2 3.23Å; L119-E122 WeakPolarHBondContact CD1-OE2 3.23Å; L119-E122 WeakPolarHBondContact O-CB 2.97Å; L119-E122 PolarHBondContact O-N 3.49Å; P120-E122 VanDerWaalsContact C-N 3.26Å; P120-E122 PolarHBondContact O-N 3.48Å; E122-S124 PolarHBondContact O-N 2.79Å
123	I	87.3	Confident	89.2	Confident	9 Å²	9	56.4 Å²	56.4	5%	0.046	28%	0.281	C	S	.	.			trans	-64.2	110.6	171.6	-56.6	173.5	0	0	0	107.3	M115 F116 I128 L184 L188	M115-I123 HydrophobicContact CB-CD1 4Å; M115-I123 HydrophobicContact CB-CG1 3.58Å; M115-I123 HydrophobicContact CE-CG1 4.13Å; M115-I123 HydrophobicContact CE-CG2 4.45Å; M115-I123 HydrophobicContact CG-CG1 4.34Å; M115-I123 HydrophobicContact SD-CG1 3.9Å; F116-I123 HydrophobicContact CD1-CD1 3.61Å; F116-I123 HydrophobicContact CD2-CD1 3.9Å; F116-I123 HydrophobicContact CE1-CD1 3.47Å; F116-I123 VanDerWaalsContact CE1-CD1 3.47Å; F116-I123 HydrophobicContact CE2-CD1 3.77Å; F116-I123 HydrophobicContact CG-CD1 3.82Å; F116-I123 HydrophobicContact CZ-CD1 3.55Å; I123-I128 HydrophobicContact CG2-CD1 4.11Å; I123-I128 HydrophobicContact CG2-CG1 4.17Å; I123-L184 HydrophobicContact CG2-CD1 4.28Å; I123-L188 HydrophobicContact CB-CD1 4.28Å; I123-L188 HydrophobicContact CB-CD2 3.72Å; I123-L188 HydrophobicContact CD1-CD1 4.19Å; I123-L188 HydrophobicContact CG2-CD1 4.44Å; I123-L188 HydrophobicContact CG2-CD2 3.61Å; I123-L188 VanDerWaalsContact O-CD2 3.22Å; I123-L188 WeakPolarHBondContact O-CD2 3.46Å
124	S	86.4	Confident	89.2	Confident	42 Å²	42	57.6 Å²	57.6	29%	0.294	29%	0.288	S	S	.	.			trans	-124.9	165.5	-178	75.4	0	0	0	0	111.2	E122 D126 V127 I128	E122-S124 PolarHBondContact O-N 2.79Å; S124-D126 VanDerWaalsContact C-N 3.26Å; S124-D126 PolarHBondContact O-N 2.97Å; S124-D126 PolarHBondContact OG-N 3.44Å; S124-V127 PolarHBondContact O-N 3.29Å; S124-V127 PolarHBondContact OG-N 3.49Å; S124-I128 WeakPolarHBondContact O-CG1 3.45Å; S124-I128 PolarHBondContact O-N 3.28Å
125	Y	90.3	Very high	89.4	Confident	116 Å²	116	55.7 Å²	55.7	46%	0.455	28%	0.28	S	S	.	.	H	α-helix	trans	-52	-49.2	172	-175.3	-82.3	0	0	0	110.7	V127 I128 D129 F181	Y125-V127 VanDerWaalsContact C-N 3.31Å; Y125-V127 PolarHBondContact O-N 2.97Å; Y125-I128 PolarHBondContact O-N 3.4Å; Y125-I128 VanDerWaalsContact O-N 3.16Å; Y125-D129 HydrophobicContact CD1-CB 4.08Å; Y125-D129 HydrophobicContact CE1-CB 3.81Å; Y125-D129 VanDerWaalsContact O-CB 3.27Å; Y125-D129 WeakPolarHBondContact O-CB 3.43Å; Y125-D129 PolarHBondContact O-N 2.88Å; Y125-F181 HydrophobicContact CD2-CB 4.44Å; Y125-F181 AromaticContact CD2-CD1 3.45Å; Y125-F181 HydrophobicContact CD2-CD1 3.45Å; Y125-F181 VanDerWaalsContact CD2-CD1 3.45Å; Y125-F181 AromaticContact CD2-CE1 3.73Å; Y125-F181 HydrophobicContact CD2-CE1 3.73Å; Y125-F181 HydrophobicContact CD2-CG 4Å; Y125-F181 HydrophobicContact CD2-CZ 4.48Å; Y125-F181 HydrophobicContact CE1-CE1 4.34Å; Y125-F181 HydrophobicContact CE1-CZ 4.26Å; Y125-F181 HydrophobicContact CE2-CB 3.87Å; Y125-F181 AromaticContact CE2-CD1 3.24Å; Y125-F181 HydrophobicContact CE2-CD1 3.24Å; Y125-F181 AromaticContact CE2-CD2 3.73Å; Y125-F181 HydrophobicContact CE2-CD2 3.73Å; Y125-F181 AromaticContact CE2-CE1 3.55Å; Y125-F181 HydrophobicContact CE2-CE1 3.55Å; Y125-F181 AromaticContact CE2-CE2 3.99Å; Y125-F181 HydrophobicContact CE2-CE2 3.99Å; Y125-F181 AromaticContact CE2-CG 3.35Å; Y125-F181 HydrophobicContact CE2-CG 3.35Å; Y125-F181 AromaticContact CE2-CZ 3.91Å; Y125-F181 HydrophobicContact CE2-CZ 3.91Å; Y125-F181 HydrophobicContact CG-CD1 4.35Å; Y125-F181 HydrophobicContact CG-CE1 4.23Å; Y125-F181 AromaticContact CZ-CD1 3.98Å; Y125-F181 AromaticContact CZ-CD2 3.94Å; Y125-F181 AromaticContact CZ-CE1 3.85Å; Y125-F181 AromaticContact CZ-CE2 3.8Å; Y125-F181 AromaticContact CZ-CZ 3.76Å; Y125-F181 WeakPolarHBondContact OH-CE2 3.31Å
126	D	89.5	Confident	89.6	Confident	124 Å²	124	54.7 Å²	54.7	66%	0.663	28%	0.275	S	S	*	.	H	α-helix	trans	-58	-40.9	-177.2	-51.4	-27.1	0	0	0	112.9	S124 H130	S124-D126 VanDerWaalsContact C-N 3.26Å; S124-D126 PolarHBondContact O-N 2.97Å; S124-D126 PolarHBondContact OG-N 3.44Å; D126-H130 WeakPolarHBondContact O-CB 3.24Å; D126-H130 PolarHBondContact O-N 3.28Å
127	V	89.6	Confident	89.7	Confident	52 Å²	52	54.3 Å²	54.3	32%	0.315	27%	0.273	S	S	.	.	H	α-helix	trans	-68.6	-43.3	179.8	178.6	0	0	0	0	110.8	M115 S124 Y125 H130 H131	M115-V127 HydrophobicContact CE-CG1 3.77Å; M115-V127 HydrophobicContact SD-CB 4.4Å; M115-V127 HydrophobicContact SD-CG1 3.56Å; M115-V127 VanDerWaalsContact SD-CG1 3.56Å; S124-V127 PolarHBondContact O-N 3.29Å; S124-V127 PolarHBondContact OG-N 3.49Å; Y125-V127 VanDerWaalsContact C-N 3.31Å; Y125-V127 PolarHBondContact O-N 2.97Å; V127-H130 PolarHBondContact O-N 3.3Å; V127-H131 PolarHBondContact O-CD2 3.01Å; V127-H131 VanDerWaalsContact O-CD2 3.22Å; V127-H131 PolarHBondContact O-N 3.03Å
128	I	92.1	Very high	89.8	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-71.4	-37.2	179.1	-58.2	-48.4	0	0	0	111.5	F108 V112 M115 I123 S124 Y125 H130 H131 L132 W180 F181 L184 F289	F108-I128 HydrophobicContact CE2-CD1 4.17Å; F108-I128 HydrophobicContact CE2-CG2 4.38Å; V112-I128 HydrophobicContact CG1-CD1 3.74Å; M115-I128 HydrophobicContact CE-CD1 3.95Å; I123-I128 HydrophobicContact CG2-CD1 4.11Å; I123-I128 HydrophobicContact CG2-CG1 4.17Å; S124-I128 WeakPolarHBondContact O-CG1 3.45Å; S124-I128 PolarHBondContact O-N 3.28Å; Y125-I128 PolarHBondContact O-N 3.4Å; Y125-I128 VanDerWaalsContact O-N 3.16Å; I128-H130 VanDerWaalsContact C-N 3.31Å; I128-H130 PolarHBondContact O-N 3.4Å; I128-H131 WeakPolarHBondContact O-CB 3.3Å; I128-H131 PolarHBondContact O-N 2.86Å; I128-H131 VanDerWaalsContact O-N 3.07Å; I128-L132 PolarHBondContact O-N 2.72Å; I128-W180 HydrophobicContact CG2-CE3 4.48Å; I128-W180 HydrophobicContact CG2-CH2 3.82Å; I128-W180 HydrophobicContact CG2-CZ2 4.49Å; I128-W180 HydrophobicContact CG2-CZ3 3.8Å; I128-F181 HydrophobicContact CB-CE1 4.19Å; I128-F181 HydrophobicContact CG2-CE1 3.96Å; I128-L184 HydrophobicContact CB-CD2 3.77Å; I128-L184 HydrophobicContact CG1-CD1 4.09Å; I128-L184 HydrophobicContact CG1-CD2 3.64Å; I128-L184 HydrophobicContact CG2-CD2 3.96Å; I128-F289 HydrophobicContact CD1-CZ 4.03Å; I128-F289 HydrophobicContact CG1-CZ 4.12Å; I128-F289 HydrophobicContact CG2-CE2 3.87Å; I128-F289 HydrophobicContact CG2-CZ 4.16Å
129	D	92.7	Very high	90.1	Very high	32 Å²	32	42.4 Å²	42.4	17%	0.171	22%	0.224	C	C	.	.	H	α-helix	trans	-63.4	-37.6	175.2	-169.4	66.5	0	0	0	111.8	Y125 H131 L132 Q133 F181	Y125-D129 HydrophobicContact CD1-CB 4.08Å; Y125-D129 HydrophobicContact CE1-CB 3.81Å; Y125-D129 VanDerWaalsContact O-CB 3.27Å; Y125-D129 WeakPolarHBondContact O-CB 3.43Å; Y125-D129 PolarHBondContact O-N 2.88Å; D129-H131 VanDerWaalsContact C-N 3.27Å; D129-H131 PolarHBondContact O-N 3.32Å; D129-L132 WeakPolarHBondContact O-CB 3.25Å; D129-L132 PolarHBondContact O-N 2.7Å; D129-L132 VanDerWaalsContact O-N 3.1Å; D129-Q133 WeakPolarHBondContact O-CG 3.22Å; D129-Q133 PolarHBondContact O-N 2.78Å; D129-Q133 PolarHBondContact OD2-NE2 3.42Å; D129-F181 HydrophobicContact CB-CE1 4.25Å; D129-F181 HydrophobicContact CB-CZ 3.73Å; D129-F181 WeakPolarHBondContact OD1-CZ 3.18Å
130	H	91.6	Very high	90.5	Very high	102 Å²	102	39.5 Å²	39.5	47%	0.472	21%	0.208	S	C	.	.	H	α-helix	trans	-58.6	-38.7	171.5	-173.3	62.6	0	0	0	112.6	D126 V127 I128 N134	D126-H130 WeakPolarHBondContact O-CB 3.24Å; D126-H130 PolarHBondContact O-N 3.28Å; V127-H130 PolarHBondContact O-N 3.3Å; I128-H130 VanDerWaalsContact C-N 3.31Å; I128-H130 PolarHBondContact O-N 3.4Å; H130-N134 PolarHBondContact CD2-ND2 3.47Å; H130-N134 VanDerWaalsContact CD2-ND2 3.34Å; H130-N134 PolarHBondContact NE2-ND2 3.15Å; H130-N134 WeakPolarHBondContact O-CB 3.43Å; H130-N134 VanDerWaalsContact O-CG 3.25Å; H130-N134 PolarHBondContact O-N 3.04Å; H130-N134 PolarHBondContact O-ND2 3.02Å; H130-N134 VanDerWaalsContact O-ND2 3.16Å
131	H	91.9	Very high	90.9	Very high	33 Å²	33	40.4 Å²	40.4	15%	0.153	21%	0.214	C	C	.	.	H	α-helix	trans	-66.3	-41.6	173.6	-76.1	-70.4	0	0	0	112.6	F108 S111 V127 I128 D129 Q133 N134 L135	F108-H131 HydrophobicContact CB-CB 4.47Å; F108-H131 HydrophobicContact CD2-CB 4.04Å; S111-H131 WeakPolarHBondContact CB-CE1 3.29Å; S111-H131 WeakPolarHBondContact CB-NE2 3.37Å; S111-H131 PolarHBondContact OG-CE1 3.4Å; V127-H131 PolarHBondContact O-CD2 3.01Å; V127-H131 VanDerWaalsContact O-CD2 3.22Å; V127-H131 PolarHBondContact O-N 3.03Å; I128-H131 WeakPolarHBondContact O-CB 3.3Å; I128-H131 PolarHBondContact O-N 2.86Å; I128-H131 VanDerWaalsContact O-N 3.07Å; D129-H131 VanDerWaalsContact C-N 3.27Å; D129-H131 PolarHBondContact O-N 3.32Å; H131-Q133 VanDerWaalsContact C-N 3.34Å; H131-N134 PolarHBondContact O-N 3.32Å; H131-L135 PolarHBondContact O-N 2.83Å
132	L	93.1	Very high	91.2	Very high	10 Å²	10	38.5 Å²	38.5	5%	0.052	19%	0.193	C	C	.	.	H	α-helix	trans	-62.9	-42.5	177.2	-169.6	63.3	0	0	0	111.7	I128 D129 L135 M136 F173 T177 W180 F181 L298	I128-L132 PolarHBondContact O-N 2.72Å; D129-L132 WeakPolarHBondContact O-CB 3.25Å; D129-L132 PolarHBondContact O-N 2.7Å; D129-L132 VanDerWaalsContact O-N 3.1Å; L132-L135 WeakPolarHBondContact O-CB 3.46Å; L132-L135 PolarHBondContact O-N 3.16Å; L132-M136 PolarHBondContact O-N 2.84Å; L132-F173 HydrophobicContact CD1-CD2 3.57Å; L132-F173 HydrophobicContact CD1-CE2 3.41Å; L132-F173 VanDerWaalsContact CD1-CE2 3.41Å; L132-F173 HydrophobicContact CD1-CG 4.37Å; L132-F173 HydrophobicContact CD1-CZ 4.1Å; L132-F173 HydrophobicContact CD2-CD2 4.27Å; L132-F173 HydrophobicContact CG-CD2 3.89Å; L132-F173 HydrophobicContact CG-CE2 3.73Å; L132-T177 HydrophobicContact CD2-CG2 3.56Å; L132-W180 HydrophobicContact CB-CZ3 4.13Å; L132-W180 HydrophobicContact CD1-CE3 4.14Å; L132-W180 HydrophobicContact CD1-CZ3 3.86Å; L132-W180 HydrophobicContact CG-CZ3 4.4Å; L132-F181 HydrophobicContact CD2-CE2 3.61Å; L132-F181 HydrophobicContact CD2-CZ 4.06Å; L132-L298 HydrophobicContact CD1-CD1 4.26Å; L132-L298 HydrophobicContact CD1-CD2 4.42Å
133	Q	93.4	Very high	90.9	Very high	39 Å²	39	39.3 Å²	39.3	18%	0.182	20%	0.197	C	C	.	.	H	α-helix	trans	-63.6	-43.9	175.6	-69.9	-174.9	26.8	0	0	111.6	D129 H131 L135 M136 I137 F160 A167	D129-Q133 WeakPolarHBondContact O-CG 3.22Å; D129-Q133 PolarHBondContact O-N 2.78Å; D129-Q133 PolarHBondContact OD2-NE2 3.42Å; H131-Q133 VanDerWaalsContact C-N 3.34Å; Q133-L135 VanDerWaalsContact C-N 3.3Å; Q133-L135 PolarHBondContact O-N 3.34Å; Q133-M136 WeakPolarHBondContact O-CB 3.5Å; Q133-M136 PolarHBondContact O-N 3.25Å; Q133-I137 VanDerWaalsContact O-CG1 3.27Å; Q133-I137 WeakPolarHBondContact O-CG1 3.08Å; Q133-I137 PolarHBondContact O-N 3.33Å; Q133-F160 HydrophobicContact CB-CD2 4.3Å; Q133-A167 HydrophobicContact CG-CB 3.95Å
134	N	92	Very high	90.2	Very high	44 Å²	44	43.2 Å²	43.2	24%	0.235	22%	0.222	C	C	.	.	H	α-helix	trans	-62.7	-37.9	175.8	-73.4	-29.8	0	0	0	112.1	H130 H131 I137 S138	H130-N134 PolarHBondContact CD2-ND2 3.47Å; H130-N134 VanDerWaalsContact CD2-ND2 3.34Å; H130-N134 PolarHBondContact NE2-ND2 3.15Å; H130-N134 WeakPolarHBondContact O-CB 3.43Å; H130-N134 VanDerWaalsContact O-CG 3.25Å; H130-N134 PolarHBondContact O-N 3.04Å; H130-N134 PolarHBondContact O-ND2 3.02Å; H130-N134 VanDerWaalsContact O-ND2 3.16Å; H131-N134 PolarHBondContact O-N 3.32Å; N134-I137 PolarHBondContact O-N 2.76Å; N134-S138 WeakPolarHBondContact O-CB 3.21Å; N134-S138 PolarHBondContact O-N 2.93Å; N134-S138 PolarHBondContact O-OG 3.36Å
135	L	93.7	Very high	89.7	Confident	15 Å²	15	41.7 Å²	41.7	8%	0.079	21%	0.21	C	C	.	.	H	α-helix	trans	-63.1	-45.6	173.3	-175.9	61.7	0	0	0	111.1	H131 L132 Q133 I137 S138 I139 F173 L298 I299	H131-L135 PolarHBondContact O-N 2.83Å; L132-L135 WeakPolarHBondContact O-CB 3.46Å; L132-L135 PolarHBondContact O-N 3.16Å; Q133-L135 VanDerWaalsContact C-N 3.3Å; Q133-L135 PolarHBondContact O-N 3.34Å; L135-I137 PolarHBondContact O-N 3.43Å; L135-S138 WeakPolarHBondContact O-CB 3.38Å; L135-S138 PolarHBondContact O-N 3.47Å; L135-I139 HydrophobicContact CG-CD1 4.24Å; L135-I139 WeakPolarHBondContact O-CG1 3.14Å; L135-I139 PolarHBondContact O-N 3.08Å; L135-F173 HydrophobicContact CB-CZ 4.43Å; L135-F173 HydrophobicContact CD2-CE1 4.45Å; L135-F173 HydrophobicContact CD2-CZ 4.15Å; L135-F173 HydrophobicContact CG-CZ 4.13Å; L135-L298 HydrophobicContact CD2-CB 4.44Å; L135-I299 HydrophobicContact CD1-CG1 4.07Å; L135-I299 HydrophobicContact CD2-CG1 4.2Å
136	M	94.4	Very high	88.9	Confident	8 Å²	8	39.3 Å²	39.3	4%	0.039	21%	0.205	C	C	.	.	H	α-helix	trans	-58.9	-45.1	175.7	175.3	160.7	64.3	0	0	112.4	L132 Q133 S138 I139 L140 F160 A167 V170 I172 F173	L132-M136 PolarHBondContact O-N 2.84Å; Q133-M136 WeakPolarHBondContact O-CB 3.5Å; Q133-M136 PolarHBondContact O-N 3.25Å; M136-S138 VanDerWaalsContact C-N 3.3Å; M136-S138 PolarHBondContact O-N 2.89Å; M136-I139 PolarHBondContact O-N 2.76Å; M136-L140 HydrophobicContact CG-CD1 3.81Å; M136-L140 HydrophobicContact CG-CG 4.37Å; M136-L140 VanDerWaalsContact O-CG 3.29Å; M136-L140 WeakPolarHBondContact O-CG 3.41Å; M136-L140 PolarHBondContact O-N 3.46Å; M136-F160 HydrophobicContact CE-CD2 4.06Å; M136-F160 HydrophobicContact CE-CE2 3.28Å; M136-F160 HydrophobicContact CE-CZ 3.67Å; M136-F160 HydrophobicContact CG-CE2 4.26Å; M136-F160 HydrophobicContact SD-CE2 4.41Å; M136-F160 HydrophobicContact SD-CZ 4.49Å; M136-A167 VanDerWaalsContact CE-CA 3.45Å; M136-A167 HydrophobicContact CE-CB 3.47Å; M136-A167 VanDerWaalsContact CE-CB 3.47Å; M136-V170 HydrophobicContact SD-CB 4.17Å; M136-V170 HydrophobicContact SD-CG1 3.78Å; M136-I172 HydrophobicContact CB-CD1 4.16Å; M136-I172 HydrophobicContact CB-CG1 4.45Å; M136-I172 HydrophobicContact CG-CD1 3.75Å; M136-I172 HydrophobicContact CG-CG1 3.94Å; M136-I172 HydrophobicContact SD-CD1 4.47Å; M136-I172 HydrophobicContact SD-CG1 4Å; M136-F173 HydrophobicContact CB-CE2 3.82Å; M136-F173 HydrophobicContact CB-CZ 4.05Å
137	I	93.6	Very high	88.4	Confident	4 Å²	4	41.8 Å²	41.8	2%	0.021	21%	0.214	C	C	.	.	H	α-helix	trans	-60.9	-43.1	177	-67.7	170.2	0	0	0	110.5	Q133 N134 L135 I139 L140 T141 A153 L156 Q157 F160	Q133-I137 VanDerWaalsContact O-CG1 3.27Å; Q133-I137 WeakPolarHBondContact O-CG1 3.08Å; Q133-I137 PolarHBondContact O-N 3.33Å; N134-I137 PolarHBondContact O-N 2.76Å; L135-I137 PolarHBondContact O-N 3.43Å; I137-I139 VanDerWaalsContact C-N 3.33Å; I137-I139 PolarHBondContact O-N 3.2Å; I137-L140 PolarHBondContact O-N 3.31Å; I137-T141 WeakPolarHBondContact O-CB 3.36Å; I137-T141 WeakPolarHBondContact O-CG2 2.99Å; I137-T141 PolarHBondContact O-N 2.91Å; I137-T141 PolarHBondContact O-OG1 2.9Å; I137-A153 HydrophobicContact CG2-CB 3.89Å; I137-L156 HydrophobicContact CD1-CB 4.27Å; I137-L156 HydrophobicContact CG1-CB 3.94Å; I137-L156 HydrophobicContact CG2-CB 4.14Å; I137-L156 HydrophobicContact CG2-CD1 4.39Å; I137-Q157 HydrophobicContact CD1-CB 4.18Å; I137-Q157 HydrophobicContact CD1-CG 3.48Å; I137-Q157 VanDerWaalsContact CD1-CG 3.48Å; I137-Q157 HydrophobicContact CG2-CG 4.41Å; I137-F160 HydrophobicContact CD1-CD2 3.73Å; I137-F160 HydrophobicContact CD1-CE2 4.04Å; I137-F160 HydrophobicContact CG1-CD2 3.82Å; I137-F160 HydrophobicContact CG1-CE2 3.56Å; I137-F160 HydrophobicContact CG1-CZ 4.46Å
138	S	92.5	Very high	88.2	Confident	15 Å²	15	43.4 Å²	43.4	11%	0.105	22%	0.217	C	C	.	.	H	α-helix	trans	-60.9	-43.5	177.9	-53.3	0	0	0	0	111.1	H104 N134 L135 M136 T141 Y142	H104-S138 PolarHBondContact CD2-OG 3.41Å; N134-S138 WeakPolarHBondContact O-CB 3.21Å; N134-S138 PolarHBondContact O-N 2.93Å; N134-S138 PolarHBondContact O-OG 3.36Å; L135-S138 WeakPolarHBondContact O-CB 3.38Å; L135-S138 PolarHBondContact O-N 3.47Å; M136-S138 VanDerWaalsContact C-N 3.3Å; M136-S138 PolarHBondContact O-N 2.89Å; S138-T141 PolarHBondContact O-N 3.08Å; S138-Y142 WeakPolarHBondContact O-CB 3.26Å; S138-Y142 PolarHBondContact O-N 3.01Å
139	I	93.7	Very high	88.1	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-64	-46.5	177.1	-65.9	171.3	0	0	0	111.4	L101 L135 M136 I137 T141 R145 I172 F173 I303	L101-I139 HydrophobicContact CD1-CG1 4.28Å; L101-I139 HydrophobicContact CD2-CB 4.49Å; L101-I139 HydrophobicContact CD2-CG1 3.91Å; L135-I139 HydrophobicContact CG-CD1 4.24Å; L135-I139 WeakPolarHBondContact O-CG1 3.14Å; L135-I139 PolarHBondContact O-N 3.08Å; M136-I139 PolarHBondContact O-N 2.76Å; I137-I139 VanDerWaalsContact C-N 3.33Å; I137-I139 PolarHBondContact O-N 3.2Å; I139-T141 PolarHBondContact O-N 3.24Å; I139-R145 WeakPolarHBondContact O-CD 3.35Å; I139-I172 HydrophobicContact CB-CD1 4.01Å; I139-I172 HydrophobicContact CD1-CD1 4.08Å; I139-I172 HydrophobicContact CG2-CD1 3.89Å; I139-F173 HydrophobicContact CD1-CE1 3.79Å; I139-F173 HydrophobicContact CD1-CZ 4.08Å; I139-I303 HydrophobicContact CG2-CG1 4.41Å
140	L	93.2	Very high	87.8	Confident	1 Å²	1	44 Å²	44	1%	0.005	23%	0.229	C	C	.	.	H	α-helix	trans	-66.7	-24.8	-178.9	-68.3	170.1	0	0	0	113.3	M136 I137 R145 F149 L156 F160 V170 I172 T306 I313	M136-L140 HydrophobicContact CG-CD1 3.81Å; M136-L140 HydrophobicContact CG-CG 4.37Å; M136-L140 VanDerWaalsContact O-CG 3.29Å; M136-L140 WeakPolarHBondContact O-CG 3.41Å; M136-L140 PolarHBondContact O-N 3.46Å; I137-L140 PolarHBondContact O-N 3.31Å; L140-R145 CarbonylContact O-C 3.34Å; L140-R145 WeakPolarHBondContact O-CB 3.42Å; L140-F149 HydrophobicContact CD2-CD2 4.29Å; L140-F149 HydrophobicContact CD2-CE2 3.95Å; L140-F149 HydrophobicContact CD2-CZ 4.36Å; L140-F149 WeakPolarHBondContact O-CD2 3.12Å; L140-L156 HydrophobicContact CB-CD1 3.93Å; L140-L156 HydrophobicContact CD1-CD1 4.08Å; L140-F160 HydrophobicContact CD1-CZ 4.44Å; L140-V170 HydrophobicContact CD1-CG1 4.12Å; L140-I172 HydrophobicContact CD2-CG2 4.39Å; L140-T306 HydrophobicContact CD2-CG2 4.05Å; L140-I313 HydrophobicContact CD2-CG2 3.87Å
141	T	91.2	Very high	87.8	Confident	24 Å²	24	39.8 Å²	39.8	15%	0.147	21%	0.209	C	C	.	.	H	α-helix	trans	-112.4	5.4	-174.7	61.2	0	0	0	0	114	I137 S138 I139 N146 Y151 A153 L156	I137-T141 WeakPolarHBondContact O-CB 3.36Å; I137-T141 WeakPolarHBondContact O-CG2 2.99Å; I137-T141 PolarHBondContact O-N 2.91Å; I137-T141 PolarHBondContact O-OG1 2.9Å; S138-T141 PolarHBondContact O-N 3.08Å; I139-T141 PolarHBondContact O-N 3.24Å; T141-N146 WeakPolarHBondContact O-CB 3.2Å; T141-Y151 WeakPolarHBondContact CG2-O 3.48Å; T141-A153 HydrophobicContact CG2-CB 4.3Å; T141-L156 HydrophobicContact CG2-CD1 3.6Å
142	Y	88.9	Confident	87.7	Confident	22 Å²	22	40 Å²	40	9%	0.086	21%	0.214	C	C	.	.	S	Bend	trans	-60	143.5	172.5	-177.7	-102.7	0	0	0	110.7	T97 E100 L101 S138 T144 R145 N146	T97-Y142 VanDerWaalsContact O-CZ 3.31Å; T97-Y142 PolarHBondContact O-OH 3.39Å; E100-Y142 HydrophobicContact CB-CD2 4.36Å; E100-Y142 HydrophobicContact CB-CE2 4.04Å; E100-Y142 HydrophobicContact CG-CE2 4.3Å; L101-Y142 HydrophobicContact CD1-CG 4.35Å; L101-Y142 HydrophobicContact CD2-CD2 4.3Å; L101-Y142 HydrophobicContact CD2-CG 4.4Å; L101-Y142 HydrophobicContact CG-CD2 4.16Å; L101-Y142 HydrophobicContact CG-CG 4.35Å; S138-Y142 WeakPolarHBondContact O-CB 3.26Å; S138-Y142 PolarHBondContact O-N 3.01Å; Y142-T144 PolarHBondContact O-N 2.91Å; Y142-R145 WeakPolarHBondContact O-CA 3.43Å; Y142-R145 WeakPolarHBondContact O-CB 3.39Å; Y142-R145 PolarHBondContact O-N 3.42Å; Y142-N146 PolarHBondContact O-N 2.91Å
143	E	77.6	Confident	87.5	Confident	134 Å²	134	41.3 Å²	41.3	63%	0.626	23%	0.226	S	C	*	.	H	α-helix	trans	-27.6	-58.6	-160.4	-63	-169.9	144.8	0	0	116.6
144	T	72.4	Confident	87.4	Confident	90 Å²	90	43.1 Å²	43.1	55%	0.552	24%	0.243	S	C	*	.	H	α-helix	trans	-73.9	-25.4	-176.2	56.2	0	0	0	0	113.8	Y142 K148	Y142-T144 PolarHBondContact O-N 2.91Å; T144-K148 WeakPolarHBondContact O-CG 3.24Å
145	R	75.7	Confident	87.4	Confident	11 Å²	11	44 Å²	44	4%	0.042	25%	0.246	C	C	.	.	H	α-helix	trans	-89.3	-29.3	-175.1	-63.3	171.6	-174.4	112.4	8.7	113.1	I139 L140 Y142 M147 K148 F149 I303 T306 D307	I139-R145 WeakPolarHBondContact O-CD 3.35Å; L140-R145 CarbonylContact O-C 3.34Å; L140-R145 WeakPolarHBondContact O-CB 3.42Å; Y142-R145 WeakPolarHBondContact O-CA 3.43Å; Y142-R145 WeakPolarHBondContact O-CB 3.39Å; Y142-R145 PolarHBondContact O-N 3.42Å; R145-M147 VanDerWaalsContact C-N 3.29Å; R145-M147 PolarHBondContact O-N 2.94Å; R145-K148 WeakPolarHBondContact O-CB 3.48Å; R145-K148 PolarHBondContact O-N 3.07Å; R145-F149 HydrophobicContact CB-CD2 4.42Å; R145-F149 HydrophobicContact CB-CE2 4.13Å; R145-F149 WeakPolarHBondContact O-CD2 3.12Å; R145-F149 PolarHBondContact O-N 3.22Å; R145-I303 VanDerWaalsContact NH2-CG2 3.27Å; R145-T306 HydrophobicContact CG-CG2 4.32Å; R145-D307 IonicContact CZ-OD1 3.07Å; R145-D307 IonicContact NE-OD1 2.7Å; R145-D307 PolarHBondContact NE-OD1 3.49Å; R145-D307 IonicContact NH2-OD1 3.9Å; R145-D307 IonicContact NH2-OD2 2.75Å; R145-D307 PolarHBondContact NH2-OD2 3.03Å
146	N	75.2	Confident	87.3	Confident	66 Å²	66	43.3 Å²	43.3	35%	0.353	24%	0.243	S	C	.	.	H	α-helix	trans	-54.1	-46	175.1	-173.4	13.2	0	0	0	112.1	T141 Y142 K148 G150 Y151	T141-N146 WeakPolarHBondContact O-CB 3.2Å; Y142-N146 PolarHBondContact O-N 2.91Å; N146-K148 VanDerWaalsContact C-N 3.29Å; N146-K148 PolarHBondContact O-N 3.42Å; N146-G150 PolarHBondContact O-N 3.47Å; N146-Y151 PolarHBondContact OD1-O 3.1Å; N146-Y151 VanDerWaalsContact OD1-O 3.13Å
147	M	78.6	Confident	87.2	Confident	175 Å²	175	47.7 Å²	47.7	86%	0.862	26%	0.263	S	S	*	.	H	α-helix	trans	-68.4	-27.5	178.5	-65.3	-161.4	179.7	0	0	113.2	R145	R145-M147 VanDerWaalsContact C-N 3.29Å; R145-M147 PolarHBondContact O-N 2.94Å
148	K	85.6	Confident	87.2	Confident	86 Å²	86	53.3 Å²	53.3	37%	0.374	29%	0.289	S	S	.	.	H	α-helix	trans	-70.7	-46.2	-179.9	-68.6	176.6	164.6	-153.7	0	112	T144 R145 N146 E310	T144-K148 WeakPolarHBondContact O-CG 3.24Å; R145-K148 WeakPolarHBondContact O-CB 3.48Å; R145-K148 PolarHBondContact O-N 3.07Å; N146-K148 VanDerWaalsContact C-N 3.29Å; N146-K148 PolarHBondContact O-N 3.42Å; K148-E310 WeakPolarHBondContact CD-OE2 3.41Å; K148-E310 WeakPolarHBondContact CE-OE2 3.36Å; K148-E310 IonicContact NZ-OE2 2.8Å; K148-E310 PolarHBondContact NZ-OE2 3.31Å
149	F	89.3	Confident	87.2	Confident	6 Å²	6	53.3 Å²	53.3	3%	0.026	29%	0.289	C	S	.	.	H	α-helix	trans	-89.1	-22.9	-176.1	-57.6	-64.8	0	0	0	113.6	L140 R145 Y151 T306 E310 I313 Q314 L317	L140-F149 HydrophobicContact CD2-CD2 4.29Å; L140-F149 HydrophobicContact CD2-CE2 3.95Å; L140-F149 HydrophobicContact CD2-CZ 4.36Å; L140-F149 WeakPolarHBondContact O-CD2 3.12Å; R145-F149 HydrophobicContact CB-CD2 4.42Å; R145-F149 HydrophobicContact CB-CE2 4.13Å; R145-F149 WeakPolarHBondContact O-CD2 3.12Å; R145-F149 PolarHBondContact O-N 3.22Å; F149-Y151 VanDerWaalsContact C-N 3.29Å; F149-Y151 HydrophobicContact CB-CD2 4.36Å; F149-Y151 WeakPolarHBondContact O-CD2 3.19Å; F149-Y151 PolarHBondContact O-N 3.45Å; F149-T306 HydrophobicContact CE2-CG2 3.36Å; F149-T306 HydrophobicContact CZ-CG2 3.41Å; F149-T306 VanDerWaalsContact CZ-CG2 3.41Å; F149-E310 HydrophobicContact CE1-CG 3.88Å; F149-E310 HydrophobicContact CZ-CG 4.1Å; F149-I313 HydrophobicContact CD1-CG2 4.21Å; F149-I313 HydrophobicContact CE1-CB 4.04Å; F149-I313 HydrophobicContact CE1-CG2 3.72Å; F149-I313 HydrophobicContact CZ-CG2 4.09Å; F149-Q314 HydrophobicContact CD1-CB 4.22Å; F149-Q314 PolarHBondContact O-NE2 3.46Å; F149-Q314 PolarHBondContact O-OE1 3.21Å; F149-Q314 VanDerWaalsContact O-OE1 3.12Å; F149-L317 HydrophobicContact CB-CD1 4.03Å; F149-L317 HydrophobicContact CD1-CD1 4.11Å; F149-L317 HydrophobicContact CG-CD1 4.1Å
150	G	87.3	Confident	87.2	Confident	38 Å²	38	53.5 Å²	53.5	39%	0.392	29%	0.29	S	S	.	.			trans	71.4	22.3	177.7	0	0	0	0	0	114.4	N146 R323	N146-G150 PolarHBondContact O-N 3.47Å; G150-R323 PolarHBondContact O-NH1 3.01Å; G150-R323 PolarHBondContact O-NH2 2.73Å
151	Y	89.8	Confident	87	Confident	14 Å²	14	62 Å²	62	6%	0.055	33%	0.327	C	S	.	.			trans	-119.9	126.6	174.5	-68.8	-89.1	0	0	0	110.2	T141 N146 F149 E155 L156 L317 C321	T141-Y151 WeakPolarHBondContact CG2-O 3.48Å; N146-Y151 PolarHBondContact OD1-O 3.1Å; N146-Y151 VanDerWaalsContact OD1-O 3.13Å; F149-Y151 VanDerWaalsContact C-N 3.29Å; F149-Y151 HydrophobicContact CB-CD2 4.36Å; F149-Y151 WeakPolarHBondContact O-CD2 3.19Å; F149-Y151 PolarHBondContact O-N 3.45Å; Y151-E155 HydrophobicContact CD1-CB 4.36Å; Y151-L156 HydrophobicContact CD1-CD2 4.14Å; Y151-L156 HydrophobicContact CD2-CD2 4.44Å; Y151-L156 HydrophobicContact CG-CD2 3.84Å; Y151-L156 HydrophobicContact CG-CG 4.49Å; Y151-L317 HydrophobicContact CD2-CB 4.24Å; Y151-L317 HydrophobicContact CD2-CD1 4.17Å; Y151-L317 HydrophobicContact CE2-CB 3.72Å; Y151-L317 HydrophobicContact CE2-CD1 4.44Å; Y151-L317 PolarHBondContact OH-O 2.85Å; Y151-C321 HydrophobicContact CE1-CB 3.78Å
152	S	89.8	Confident	86.9	Confident	38 Å²	38	66.8 Å²	66.8	27%	0.266	35%	0.35	S	S	.	.			trans	-70.8	158.8	169.4	61.6	0	0	0	0	111.8	S154 E155 L156	S152-S154 PolarHBondContact O-N 2.9Å; S152-S154 PolarHBondContact OG-OG 3.27Å; S152-S154 VanDerWaalsContact OG-OG 3.1Å; S152-E155 PolarHBondContact N-OE2 3.29Å; S152-E155 PolarHBondContact O-N 2.92Å; S152-E155 WeakPolarHBondContact OG-CB 3.19Å; S152-E155 VanDerWaalsContact OG-CD 3.3Å; S152-E155 WeakPolarHBondContact OG-CG 3.46Å; S152-E155 PolarHBondContact OG-N 2.73Å; S152-E155 PolarHBondContact OG-OE2 2.84Å; S152-L156 PolarHBondContact O-N 3.34Å
153	A	90.3	Very high	87	Confident	37 Å²	37	67.8 Å²	67.8	31%	0.306	36%	0.357	S	S	.	.	H	α-helix	trans	-54.7	-41.3	175.9	0	0	0	0	0	112.1	I137 T141 E155 L156 Q157	I137-A153 HydrophobicContact CG2-CB 3.89Å; T141-A153 HydrophobicContact CG2-CB 4.3Å; A153-E155 PolarHBondContact O-N 2.94Å; A153-L156 PolarHBondContact O-N 3.4Å; A153-Q157 WeakPolarHBondContact O-CB 3.25Å; A153-Q157 VanDerWaalsContact O-CG 3.27Å; A153-Q157 WeakPolarHBondContact O-CG 3.22Å; A153-Q157 PolarHBondContact O-N 3.34Å
154	S	90.4	Very high	87.3	Confident	77 Å²	77	67.1 Å²	67.1	54%	0.538	36%	0.358	S	S	.	.	H	α-helix	trans	-64.3	-38.2	176.2	46.5	0	0	0	0	113.5	S152 Q157 Q158	S152-S154 PolarHBondContact O-N 2.9Å; S152-S154 PolarHBondContact OG-OG 3.27Å; S152-S154 VanDerWaalsContact OG-OG 3.1Å; S154-Q157 PolarHBondContact O-N 3.46Å; S154-Q158 WeakPolarHBondContact O-CB 3.43Å; S154-Q158 PolarHBondContact O-N 2.98Å
155	E	91.4	Very high	88.1	Confident	63 Å²	63	69 Å²	69	29%	0.294	36%	0.358	S	S	.	.	H	α-helix	trans	-69.1	-39.2	177.8	-74.7	169	129.3	0	0	111.4	Y151 S152 A153 Q158 C159 R323	Y151-E155 HydrophobicContact CD1-CB 4.36Å; S152-E155 PolarHBondContact N-OE2 3.29Å; S152-E155 PolarHBondContact O-N 2.92Å; S152-E155 WeakPolarHBondContact OG-CB 3.19Å; S152-E155 VanDerWaalsContact OG-CD 3.3Å; S152-E155 WeakPolarHBondContact OG-CG 3.46Å; S152-E155 PolarHBondContact OG-N 2.73Å; S152-E155 PolarHBondContact OG-OE2 2.84Å; A153-E155 PolarHBondContact O-N 2.94Å; E155-Q158 PolarHBondContact O-N 3.47Å; E155-C159 WeakPolarHBondContact O-CB 3.48Å; E155-C159 PolarHBondContact O-N 3.15Å; E155-R323 IonicContact OE1-CZ 3.04Å; E155-R323 VanDerWaalsContact OE1-CZ 3.29Å; E155-R323 IonicContact OE1-NE 2.72Å; E155-R323 PolarHBondContact OE1-NE 3.06Å; E155-R323 VanDerWaalsContact OE1-NE 3.07Å; E155-R323 IonicContact OE1-NH2 3.29Å; E155-R323 PolarHBondContact OE1-NH2 3.47Å; E155-R323 IonicContact OE2-NH2 3.08Å; E155-R323 PolarHBondContact OE2-NH2 3.39Å
156	L	93.1	Very high	88.9	Confident	1 Å²	1	68.5 Å²	68.5	1%	0.005	36%	0.357	C	S	.	.	H	α-helix	trans	-67.4	-42.1	174.3	-66.4	-178.8	0	0	0	111.8	I137 L140 T141 Y151 S152 A153 Q158 C159 F160 L317	I137-L156 HydrophobicContact CD1-CB 4.27Å; I137-L156 HydrophobicContact CG1-CB 3.94Å; I137-L156 HydrophobicContact CG2-CB 4.14Å; I137-L156 HydrophobicContact CG2-CD1 4.39Å; L140-L156 HydrophobicContact CB-CD1 3.93Å; L140-L156 HydrophobicContact CD1-CD1 4.08Å; T141-L156 HydrophobicContact CG2-CD1 3.6Å; Y151-L156 HydrophobicContact CD1-CD2 4.14Å; Y151-L156 HydrophobicContact CD2-CD2 4.44Å; Y151-L156 HydrophobicContact CG-CD2 3.84Å; Y151-L156 HydrophobicContact CG-CG 4.49Å; S152-L156 PolarHBondContact O-N 3.34Å; A153-L156 PolarHBondContact O-N 3.4Å; L156-Q158 VanDerWaalsContact C-N 3.31Å; L156-Q158 PolarHBondContact O-N 3.13Å; L156-C159 WeakPolarHBondContact O-CB 3.36Å; L156-C159 PolarHBondContact O-N 3.32Å; L156-C159 VanDerWaalsContact O-N 3.16Å; L156-F160 WeakPolarHBondContact O-CG 3.47Å; L156-F160 PolarHBondContact O-N 3.05Å; L156-L317 HydrophobicContact CD2-CD2 3.7Å
157	Q	92.7	Very high	89.7	Confident	100 Å²	100	65.9 Å²	65.9	47%	0.467	34%	0.344	S	S	.	.	H	α-helix	trans	-58.4	-45.4	174.6	-76.4	175.4	1.7	0	0	111.1	I137 A153 S154 K161	I137-Q157 HydrophobicContact CD1-CB 4.18Å; I137-Q157 HydrophobicContact CD1-CG 3.48Å; I137-Q157 VanDerWaalsContact CD1-CG 3.48Å; I137-Q157 HydrophobicContact CG2-CG 4.41Å; A153-Q157 WeakPolarHBondContact O-CB 3.25Å; A153-Q157 VanDerWaalsContact O-CG 3.27Å; A153-Q157 WeakPolarHBondContact O-CG 3.22Å; A153-Q157 PolarHBondContact O-N 3.34Å; S154-Q157 PolarHBondContact O-N 3.46Å; Q157-K161 VanDerWaalsContact O-CB 3.23Å; Q157-K161 WeakPolarHBondContact O-CB 3.39Å; Q157-K161 PolarHBondContact O-N 3.09Å
158	Q	91.7	Very high	90.3	Very high	122 Å²	122	63.6 Å²	63.6	57%	0.57	33%	0.331	S	S	*	.	H	α-helix	trans	-65	-40.8	176.3	-174.4	174.5	8.1	0	0	111.5	S154 E155 L156 K161 I162	S154-Q158 WeakPolarHBondContact O-CB 3.43Å; S154-Q158 PolarHBondContact O-N 2.98Å; E155-Q158 PolarHBondContact O-N 3.47Å; L156-Q158 VanDerWaalsContact C-N 3.31Å; L156-Q158 PolarHBondContact O-N 3.13Å; Q158-K161 PolarHBondContact O-N 3.41Å; Q158-I162 HydrophobicContact CG-CD1 3.63Å; Q158-I162 HydrophobicContact CG-CG1 4.44Å; Q158-I162 WeakPolarHBondContact O-CB 3.1Å; Q158-I162 VanDerWaalsContact O-CG1 3.24Å; Q158-I162 WeakPolarHBondContact O-CG1 3.14Å; Q158-I162 PolarHBondContact O-N 3.02Å
159	C	93.6	Very high	90.6	Very high	14 Å²	14	60.6 Å²	60.6	10%	0.095	32%	0.321	C	S	.	.	H	α-helix	trans	-60	-53.9	176.2	173.1	0	0	0	0	111.9	E155 L156 K161 I162 N163 A166 C321	E155-C159 WeakPolarHBondContact O-CB 3.48Å; E155-C159 PolarHBondContact O-N 3.15Å; L156-C159 WeakPolarHBondContact O-CB 3.36Å; L156-C159 PolarHBondContact O-N 3.32Å; L156-C159 VanDerWaalsContact O-N 3.16Å; C159-K161 PolarHBondContact O-N 3.5Å; C159-I162 PolarHBondContact O-N 3.18Å; C159-N163 PolarHBondContact O-N 3.2Å; C159-A166 VanDerWaalsContact SG-CB 3.54Å; C159-C321 HydrophobicContact CB-CB 3.62Å; C159-C321 WeakPolarHBondContact CB-SG 3.44Å; C159-C321 WeakPolarHBondContact SG-CA 3.28Å; C159-C321 WeakPolarHBondContact SG-CB 3.09Å; C159-C321 CovalentContact SG-SG 2.02Å; C159-C321 PolarHBondContact SG-SG 3.12Å
160	F	93.3	Very high	90.8	Very high	5 Å²	5	60.5 Å²	60.5	2%	0.022	32%	0.321	C	S	.	.	H	α-helix	trans	-65.5	-30	-176.1	-67.6	0.5	0	0	0	111.7	Q133 M136 I137 L140 L156 A166 A167 L317	Q133-F160 HydrophobicContact CB-CD2 4.3Å; M136-F160 HydrophobicContact CE-CD2 4.06Å; M136-F160 HydrophobicContact CE-CE2 3.28Å; M136-F160 HydrophobicContact CE-CZ 3.67Å; M136-F160 HydrophobicContact CG-CE2 4.26Å; M136-F160 HydrophobicContact SD-CE2 4.41Å; M136-F160 HydrophobicContact SD-CZ 4.49Å; I137-F160 HydrophobicContact CD1-CD2 3.73Å; I137-F160 HydrophobicContact CD1-CE2 4.04Å; I137-F160 HydrophobicContact CG1-CD2 3.82Å; I137-F160 HydrophobicContact CG1-CE2 3.56Å; I137-F160 HydrophobicContact CG1-CZ 4.46Å; L140-F160 HydrophobicContact CD1-CZ 4.44Å; L156-F160 WeakPolarHBondContact O-CG 3.47Å; L156-F160 PolarHBondContact O-N 3.05Å; F160-A166 HydrophobicContact CD1-CB 3.61Å; F160-A166 HydrophobicContact CE1-CB 3.99Å; F160-A167 HydrophobicContact CD1-CB 4.36Å; F160-A167 HydrophobicContact CD2-CB 3.92Å; F160-A167 HydrophobicContact CE2-CB 4.2Å; F160-A167 HydrophobicContact CG-CB 4.02Å; F160-L317 HydrophobicContact CE1-CD2 4.4Å
161	K	90	Very high	91	Very high	179 Å²	179	62 Å²	62	78%	0.778	32%	0.32	S	S	*	.	H	α-helix	trans	-71.3	-33	173.1	-175.2	177.2	179.3	-179.6	0	113.8	Q157 Q158 C159	Q157-K161 VanDerWaalsContact O-CB 3.23Å; Q157-K161 WeakPolarHBondContact O-CB 3.39Å; Q157-K161 PolarHBondContact O-N 3.09Å; Q158-K161 PolarHBondContact O-N 3.41Å; C159-K161 PolarHBondContact O-N 3.5Å
162	I	88.5	Confident	91.3	Very high	125 Å²	125	61.3 Å²	61.3	64%	0.641	32%	0.317	S	S	*	.	H	α-helix	trans	-88.4	-29.3	-177.8	-68	171.8	0	0	0	111.3	Q158 C159	Q158-I162 HydrophobicContact CG-CD1 3.63Å; Q158-I162 HydrophobicContact CG-CG1 4.44Å; Q158-I162 WeakPolarHBondContact O-CB 3.1Å; Q158-I162 VanDerWaalsContact O-CG1 3.24Å; Q158-I162 WeakPolarHBondContact O-CG1 3.14Å; Q158-I162 PolarHBondContact O-N 3.02Å; C159-I162 PolarHBondContact O-N 3.18Å
163	N	89.9	Confident	91.6	Very high	42 Å²	42	59.7 Å²	59.7	23%	0.225	31%	0.305	C	S	.	.			trans	-128	98.3	-174.8	-171.6	-12.9	0	0	0	110.6	C159 F165 A166 F320	C159-N163 PolarHBondContact O-N 3.2Å; N163-F165 PolarHBondContact O-N 3.15Å; N163-F165 PolarHBondContact OD1-N 3.04Å; N163-A166 HydrophobicContact CB-CB 4.09Å; N163-A166 VanDerWaalsContact O-CB 3.25Å; N163-A166 WeakPolarHBondContact O-CB 3.36Å; N163-A166 PolarHBondContact O-N 2.99Å; N163-F320 PolarHBondContact ND2-O 3.32Å
164	D	83.6	Confident	91.7	Very high	121 Å²	121	58.2 Å²	58.2	65%	0.647	29%	0.294	S	S	*	.	H	α-helix	trans	-56.7	-26.5	-177.9	-59.9	-23.9	0	0	0	113
165	F	89.5	Confident	91.8	Very high	130 Å²	130	59.9 Å²	59.9	57%	0.57	30%	0.297	S	S	*	.	H	α-helix	trans	-83.8	-13.5	178.3	-59.3	-69.9	0	0	0	113.7	N163 S169 F320	N163-F165 PolarHBondContact O-N 3.15Å; N163-F165 PolarHBondContact OD1-N 3.04Å; F165-S169 WeakPolarHBondContact O-CB 3.3Å; F165-S169 PolarHBondContact O-N 2.83Å; F165-S169 PolarHBondContact O-OG 3.4Å; F165-F320 HydrophobicContact CB-CD1 4.19Å; F165-F320 HydrophobicContact CB-CE1 3.96Å
166	A	92.6	Very high	91.9	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-63	-53	-175.8	0	0	0	0	0	111.1	C159 F160 N163 Q168 S169 V170 F320	C159-A166 VanDerWaalsContact SG-CB 3.54Å; F160-A166 HydrophobicContact CD1-CB 3.61Å; F160-A166 HydrophobicContact CE1-CB 3.99Å; N163-A166 HydrophobicContact CB-CB 4.09Å; N163-A166 VanDerWaalsContact O-CB 3.25Å; N163-A166 WeakPolarHBondContact O-CB 3.36Å; N163-A166 PolarHBondContact O-N 2.99Å; A166-Q168 PolarHBondContact O-N 3.4Å; A166-S169 PolarHBondContact O-N 3.4Å; A166-S169 PolarHBondContact O-OG 3.34Å; A166-V170 WeakPolarHBondContact O-CG2 3.18Å; A166-V170 PolarHBondContact O-N 2.75Å; A166-V170 VanDerWaalsContact O-N 3.08Å; A166-F320 HydrophobicContact CB-CB 3.86Å
167	A	92	Very high	91.9	Very high	11 Å²	11	59.7 Å²	59.7	9%	0.091	30%	0.299	C	S	.	.	H	α-helix	trans	-60.4	-46.3	178.5	0	0	0	0	0	112.2	Q133 M136 F160 S169 V170 N171	Q133-A167 HydrophobicContact CG-CB 3.95Å; M136-A167 VanDerWaalsContact CE-CA 3.45Å; M136-A167 HydrophobicContact CE-CB 3.47Å; M136-A167 VanDerWaalsContact CE-CB 3.47Å; F160-A167 HydrophobicContact CD1-CB 4.36Å; F160-A167 HydrophobicContact CD2-CB 3.92Å; F160-A167 HydrophobicContact CE2-CB 4.2Å; F160-A167 HydrophobicContact CG-CB 4.02Å; A167-S169 VanDerWaalsContact C-N 3.3Å; A167-S169 PolarHBondContact O-N 2.92Å; A167-V170 PolarHBondContact O-N 3.15Å; A167-N171 PolarHBondContact O-N 3.41Å; A167-N171 VanDerWaalsContact O-N 3.08Å
168	Q	91.3	Very high	91.9	Very high	127 Å²	127	59.4 Å²	59.4	59%	0.593	30%	0.303	S	S	*	.	H	α-helix	trans	-65.3	-31.9	178.6	-63.2	177.4	2.9	0	0	112.9	A166 N171	A166-Q168 PolarHBondContact O-N 3.4Å; Q168-N171 WeakPolarHBondContact O-CB 3.37Å
169	S	91.9	Very high	92	Very high	22 Å²	22	57.2 Å²	57.2	15%	0.154	30%	0.296	C	S	.	.	H	α-helix	trans	-73.5	-41.6	177.7	73.1	0	0	0	0	111.4	F165 A166 A167 K316 F320	F165-S169 WeakPolarHBondContact O-CB 3.3Å; F165-S169 PolarHBondContact O-N 2.83Å; F165-S169 PolarHBondContact O-OG 3.4Å; A166-S169 PolarHBondContact O-N 3.4Å; A166-S169 PolarHBondContact O-OG 3.34Å; A167-S169 VanDerWaalsContact C-N 3.3Å; A167-S169 PolarHBondContact O-N 2.92Å; S169-K316 WeakPolarHBondContact O-CD 3.17Å; S169-K316 WeakPolarHBondContact O-CE 3.12Å; S169-K316 PolarHBondContact O-NZ 3.34Å; S169-F320 WeakPolarHBondContact OG-CD2 3.4Å; S169-F320 WeakPolarHBondContact OG-CE2 3.19Å
170	V	93.7	Very high	92	Very high	4 Å²	4	56.9 Å²	56.9	2%	0.024	29%	0.292	C	S	.	.	H	α-helix	trans	-64.5	-49.9	-179.5	170.7	0	0	0	0	109.9	M136 L140 A166 A167 I172 I313 K316 L317	M136-V170 HydrophobicContact SD-CB 4.17Å; M136-V170 HydrophobicContact SD-CG1 3.78Å; L140-V170 HydrophobicContact CD1-CG1 4.12Å; A166-V170 WeakPolarHBondContact O-CG2 3.18Å; A166-V170 PolarHBondContact O-N 2.75Å; A166-V170 VanDerWaalsContact O-N 3.08Å; A167-V170 PolarHBondContact O-N 3.15Å; V170-I172 HydrophobicContact CG1-CG2 3.84Å; V170-I172 PolarHBondContact O-N 3.18Å; V170-I313 HydrophobicContact CG1-CG2 4.22Å; V170-K316 HydrophobicContact CG2-CB 4.39Å; V170-L317 HydrophobicContact CG2-CD2 3.62Å; V170-L317 HydrophobicContact CG2-CG 4.1Å
171	N	92.1	Very high	92.1	Very high	69 Å²	69	57.3 Å²	57.3	37%	0.369	29%	0.294	S	S	.	.			trans	39.3	61.1	170.5	-170.7	21.7	0	0	0	115.2	A167 Q168 F173 G174	A167-N171 PolarHBondContact O-N 3.41Å; A167-N171 VanDerWaalsContact O-N 3.08Å; Q168-N171 WeakPolarHBondContact O-CB 3.37Å; N171-F173 PolarHBondContact O-N 2.88Å; N171-G174 WeakPolarHBondContact OD1-CA 3.25Å; N171-G174 PolarHBondContact OD1-N 2.85Å
172	I	96.2	Very high	92.3	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	29%	0.286	C	S	.	.	S	Bend	trans	-72.1	-9.8	179.3	62.4	173.4	0	0	0	114.3	M136 I139 L140 V170 E305 I313	M136-I172 HydrophobicContact CB-CD1 4.16Å; M136-I172 HydrophobicContact CB-CG1 4.45Å; M136-I172 HydrophobicContact CG-CD1 3.75Å; M136-I172 HydrophobicContact CG-CG1 3.94Å; M136-I172 HydrophobicContact SD-CD1 4.47Å; M136-I172 HydrophobicContact SD-CG1 4Å; I139-I172 HydrophobicContact CB-CD1 4.01Å; I139-I172 HydrophobicContact CD1-CD1 4.08Å; I139-I172 HydrophobicContact CG2-CD1 3.89Å; L140-I172 HydrophobicContact CD2-CG2 4.39Å; V170-I172 HydrophobicContact CG1-CG2 3.84Å; V170-I172 PolarHBondContact O-N 3.18Å; I172-E305 HydrophobicContact CB-CB 4.28Å; I172-E305 HydrophobicContact CB-CG 4.3Å; I172-E305 WeakPolarHBondContact O-CB 3.16Å; I172-I313 HydrophobicContact CG2-CD1 3.89Å
173	F	95.6	Very high	92.6	Very high	4 Å²	4	49.8 Å²	49.8	2%	0.018	26%	0.258	C	S	.	.	S	Bend	trans	-100.2	-21.2	-176	-57.6	-54.4	0	0	0	113	L132 L135 M136 I139 N171 L176 T177 L298	L132-F173 HydrophobicContact CD1-CD2 3.57Å; L132-F173 HydrophobicContact CD1-CE2 3.41Å; L132-F173 VanDerWaalsContact CD1-CE2 3.41Å; L132-F173 HydrophobicContact CD1-CG 4.37Å; L132-F173 HydrophobicContact CD1-CZ 4.1Å; L132-F173 HydrophobicContact CD2-CD2 4.27Å; L132-F173 HydrophobicContact CG-CD2 3.89Å; L132-F173 HydrophobicContact CG-CE2 3.73Å; L135-F173 HydrophobicContact CB-CZ 4.43Å; L135-F173 HydrophobicContact CD2-CE1 4.45Å; L135-F173 HydrophobicContact CD2-CZ 4.15Å; L135-F173 HydrophobicContact CG-CZ 4.13Å; M136-F173 HydrophobicContact CB-CE2 3.82Å; M136-F173 HydrophobicContact CB-CZ 4.05Å; I139-F173 HydrophobicContact CD1-CE1 3.79Å; I139-F173 HydrophobicContact CD1-CZ 4.08Å; N171-F173 PolarHBondContact O-N 2.88Å; F173-L176 WeakPolarHBondContact O-CB 3.39Å; F173-L176 PolarHBondContact O-N 3.45Å; F173-T177 WeakPolarHBondContact CB-OG1 3.32Å; F173-L298 HydrophobicContact CB-CD2 3.83Å; F173-L298 HydrophobicContact CD1-CB 4.17Å; F173-L298 HydrophobicContact CD1-CD2 3.87Å; F173-L298 VanDerWaalsContact CD1-O 3.27Å; F173-L298 WeakPolarHBondContact CD1-O 3.4Å; F173-L298 HydrophobicContact CE1-CB 4.27Å; F173-L298 VanDerWaalsContact CE1-O 3.25Å; F173-L298 WeakPolarHBondContact CE1-O 3.35Å; F173-L298 HydrophobicContact CG-CD2 3.85Å
174	G	92.9	Very high	92.8	Very high	7 Å²	7	48 Å²	48	7%	0.072	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.6	-136.3	179.3	0	0	0	0	0	112.8	N171 L176 T177	N171-G174 WeakPolarHBondContact OD1-CA 3.25Å; N171-G174 PolarHBondContact OD1-N 2.85Å; G174-L176 PolarHBondContact O-N 3.49Å; G174-T177 WeakPolarHBondContact O-CB 3.43Å; G174-T177 PolarHBondContact O-N 3.31Å; G174-T177 VanDerWaalsContact O-N 3.13Å; G174-T177 PolarHBondContact O-OG1 3.49Å
175	D	92.6	Very high	93.1	Very high	111 Å²	111	45.2 Å²	45.2	59%	0.594	24%	0.238	S	C	*	.	H	α-helix	trans	-64.8	-20.2	-175.9	-61.2	-18.4	0	0	0	113.5	T177 V178 N179	D175-T177 PolarHBondContact O-N 3.31Å; D175-V178 PolarHBondContact O-N 3.41Å; D175-V178 VanDerWaalsContact O-N 3.13Å; D175-N179 PolarHBondContact O-N 3.01Å; D175-N179 PolarHBondContact O-ND2 2.7Å
176	L	93.5	Very high	93.1	Very high	39 Å²	39	41 Å²	41	20%	0.204	22%	0.223	C	C	.	.	H	α-helix	trans	-59.5	-36.4	174.4	-66	-176.8	0	0	0	111.4	F173 G174 N179 W180 N297 L298 K301	F173-L176 WeakPolarHBondContact O-CB 3.39Å; F173-L176 PolarHBondContact O-N 3.45Å; G174-L176 PolarHBondContact O-N 3.49Å; L176-N179 PolarHBondContact O-N 2.89Å; L176-W180 WeakPolarHBondContact O-CB 3.41Å; L176-W180 PolarHBondContact O-N 2.85Å; L176-N297 HydrophobicContact CD1-CB 4.29Å; L176-L298 HydrophobicContact CB-CD2 3.64Å; L176-L298 HydrophobicContact CD1-CD2 4.34Å; L176-K301 HydrophobicContact CD1-CB 3.7Å; L176-K301 HydrophobicContact CD1-CG 3.93Å
177	T	93.5	Very high	93.1	Very high	22 Å²	22	41.1 Å²	41.1	14%	0.135	22%	0.224	C	C	.	.	H	α-helix	trans	-59.5	-49	174.3	-60.3	0	0	0	0	111.2	L132 F173 G174 D175 N179 W180 F181	L132-T177 HydrophobicContact CD2-CG2 3.56Å; F173-T177 WeakPolarHBondContact CB-OG1 3.32Å; G174-T177 WeakPolarHBondContact O-CB 3.43Å; G174-T177 PolarHBondContact O-N 3.31Å; G174-T177 VanDerWaalsContact O-N 3.13Å; G174-T177 PolarHBondContact O-OG1 3.49Å; D175-T177 PolarHBondContact O-N 3.31Å; T177-N179 PolarHBondContact O-N 3.49Å; T177-W180 PolarHBondContact O-N 2.95Å; T177-F181 HydrophobicContact CG2-CD2 3.56Å; T177-F181 HydrophobicContact CG2-CE2 3.55Å; T177-F181 VanDerWaalsContact O-CD2 3.23Å; T177-F181 WeakPolarHBondContact O-CD2 3.46Å; T177-F181 PolarHBondContact O-N 2.88Å
178	V	92.7	Very high	93	Very high	93 Å²	93	41.2 Å²	41.2	56%	0.564	22%	0.223	S	C	*	.	H	α-helix	trans	-62.9	-46.6	-178	179.6	0	0	0	0	110.4	D175 W180 F181 K182	D175-V178 PolarHBondContact O-N 3.41Å; D175-V178 VanDerWaalsContact O-N 3.13Å; V178-W180 VanDerWaalsContact C-N 3.35Å; V178-W180 PolarHBondContact O-N 3.35Å; V178-F181 PolarHBondContact O-N 3.49Å; V178-K182 VanDerWaalsContact O-CB 3.31Å; V178-K182 WeakPolarHBondContact O-CB 3.28Å; V178-K182 PolarHBondContact O-N 3.13Å
179	N	93.6	Very high	92.8	Very high	77 Å²	77	38.2 Å²	38.2	41%	0.412	21%	0.214	S	C	.	.	H	α-helix	trans	-64	-40.9	178.7	-69.6	-25.1	0	0	0	111.7	D175 L176 T177 K182 A183	D175-N179 PolarHBondContact O-N 3.01Å; D175-N179 PolarHBondContact O-ND2 2.7Å; L176-N179 PolarHBondContact O-N 2.89Å; T177-N179 PolarHBondContact O-N 3.49Å; N179-K182 PolarHBondContact O-N 3Å; N179-A183 WeakPolarHBondContact O-CB 3.48Å; N179-A183 PolarHBondContact O-N 3.25Å
180	W	93.9	Very high	92.6	Very high	7 Å²	7	42.2 Å²	42.2	3%	0.027	23%	0.226	C	C	.	.	H	α-helix	trans	-66.2	-43.5	179.1	-165.5	48.6	0	0	0	112.4	F108 I128 L132 L176 T177 V178 A183 L184 F289 T294 L298	F108-W180 HydrophobicContact CD2-CH2 4.09Å; F108-W180 HydrophobicContact CD2-CZ2 4.33Å; F108-W180 HydrophobicContact CE1-CZ2 4.05Å; F108-W180 AromaticContact CE2-CH2 3.73Å; F108-W180 HydrophobicContact CE2-CH2 3.73Å; F108-W180 AromaticContact CE2-CZ2 3.67Å; F108-W180 HydrophobicContact CE2-CZ2 3.67Å; F108-W180 HydrophobicContact CZ-CH2 4.09Å; F108-W180 AromaticContact CZ-CZ2 3.53Å; F108-W180 HydrophobicContact CZ-CZ2 3.53Å; I128-W180 HydrophobicContact CG2-CE3 4.48Å; I128-W180 HydrophobicContact CG2-CH2 3.82Å; I128-W180 HydrophobicContact CG2-CZ2 4.49Å; I128-W180 HydrophobicContact CG2-CZ3 3.8Å; L132-W180 HydrophobicContact CB-CZ3 4.13Å; L132-W180 HydrophobicContact CD1-CE3 4.14Å; L132-W180 HydrophobicContact CD1-CZ3 3.86Å; L132-W180 HydrophobicContact CG-CZ3 4.4Å; L176-W180 WeakPolarHBondContact O-CB 3.41Å; L176-W180 PolarHBondContact O-N 2.85Å; T177-W180 PolarHBondContact O-N 2.95Å; V178-W180 VanDerWaalsContact C-N 3.35Å; V178-W180 PolarHBondContact O-N 3.35Å; W180-A183 PolarHBondContact O-N 3.4Å; W180-L184 PolarHBondContact O-N 3.27Å; W180-F289 AromaticContact CD1-CD2 3.8Å; W180-F289 HydrophobicContact CD2-CD2 4.34Å; W180-F289 HydrophobicContact CD2-CE2 4.36Å; W180-F289 AromaticContact CE2-CD2 3.73Å; W180-F289 AromaticContact CE2-CE2 3.67Å; W180-F289 HydrophobicContact CG-CD2 4.41Å; W180-F289 HydrophobicContact CH2-CE2 4.36Å; W180-F289 HydrophobicContact CZ2-CD2 4.21Å; W180-F289 AromaticContact CZ2-CE2 3.7Å; W180-F289 HydrophobicContact CZ2-CE2 3.7Å; W180-F289 AromaticContact NE1-CD2 3.36Å; W180-F289 AromaticContact NE1-CE2 3.78Å; W180-F289 PolarHBondContact NE1-O 2.86Å; W180-T294 HydrophobicContact CG-CG2 4.06Å; W180-L298 HydrophobicContact CD2-CD1 3.95Å; W180-L298 HydrophobicContact CE3-CD1 4.03Å; W180-L298 HydrophobicContact CG-CD1 4.37Å; W180-L298 HydrophobicContact CZ3-CD1 4.39Å
181	F	95.1	Very high	92.5	Very high	14 Å²	14	42.4 Å²	42.4	6%	0.061	23%	0.226	C	C	.	.	H	α-helix	trans	-70.9	-32.4	175.6	-79.1	-62	0	0	0	113.8	Y125 I128 D129 L132 T177 V178 A183 L184 S185	Y125-F181 HydrophobicContact CD2-CB 4.44Å; Y125-F181 AromaticContact CD2-CD1 3.45Å; Y125-F181 HydrophobicContact CD2-CD1 3.45Å; Y125-F181 VanDerWaalsContact CD2-CD1 3.45Å; Y125-F181 AromaticContact CD2-CE1 3.73Å; Y125-F181 HydrophobicContact CD2-CE1 3.73Å; Y125-F181 HydrophobicContact CD2-CG 4Å; Y125-F181 HydrophobicContact CD2-CZ 4.48Å; Y125-F181 HydrophobicContact CE1-CE1 4.34Å; Y125-F181 HydrophobicContact CE1-CZ 4.26Å; Y125-F181 HydrophobicContact CE2-CB 3.87Å; Y125-F181 AromaticContact CE2-CD1 3.24Å; Y125-F181 HydrophobicContact CE2-CD1 3.24Å; Y125-F181 AromaticContact CE2-CD2 3.73Å; Y125-F181 HydrophobicContact CE2-CD2 3.73Å; Y125-F181 AromaticContact CE2-CE1 3.55Å; Y125-F181 HydrophobicContact CE2-CE1 3.55Å; Y125-F181 AromaticContact CE2-CE2 3.99Å; Y125-F181 HydrophobicContact CE2-CE2 3.99Å; Y125-F181 AromaticContact CE2-CG 3.35Å; Y125-F181 HydrophobicContact CE2-CG 3.35Å; Y125-F181 AromaticContact CE2-CZ 3.91Å; Y125-F181 HydrophobicContact CE2-CZ 3.91Å; Y125-F181 HydrophobicContact CG-CD1 4.35Å; Y125-F181 HydrophobicContact CG-CE1 4.23Å; Y125-F181 AromaticContact CZ-CD1 3.98Å; Y125-F181 AromaticContact CZ-CD2 3.94Å; Y125-F181 AromaticContact CZ-CE1 3.85Å; Y125-F181 AromaticContact CZ-CE2 3.8Å; Y125-F181 AromaticContact CZ-CZ 3.76Å; Y125-F181 WeakPolarHBondContact OH-CE2 3.31Å; I128-F181 HydrophobicContact CB-CE1 4.19Å; I128-F181 HydrophobicContact CG2-CE1 3.96Å; D129-F181 HydrophobicContact CB-CE1 4.25Å; D129-F181 HydrophobicContact CB-CZ 3.73Å; D129-F181 WeakPolarHBondContact OD1-CZ 3.18Å; L132-F181 HydrophobicContact CD2-CE2 3.61Å; L132-F181 HydrophobicContact CD2-CZ 4.06Å; T177-F181 HydrophobicContact CG2-CD2 3.56Å; T177-F181 HydrophobicContact CG2-CE2 3.55Å; T177-F181 VanDerWaalsContact O-CD2 3.23Å; T177-F181 WeakPolarHBondContact O-CD2 3.46Å; T177-F181 PolarHBondContact O-N 2.88Å; V178-F181 PolarHBondContact O-N 3.49Å; F181-A183 VanDerWaalsContact C-N 3.34Å; F181-L184 HydrophobicContact CD1-CD2 3.81Å; F181-L184 HydrophobicContact CE1-CD2 4.17Å; F181-L184 PolarHBondContact O-N 3.3Å; F181-S185 WeakPolarHBondContact O-CB 3.22Å; F181-S185 PolarHBondContact O-N 3.38Å; F181-S185 PolarHBondContact O-OG 2.91Å
182	K	93.8	Very high	92.3	Very high	140 Å²	140	41 Å²	41	61%	0.609	22%	0.218	S	C	*	.	H	α-helix	trans	-62.4	-43.6	171	-176.7	-179.9	177.6	-176.8	0	111.1	V178 N179 S185 T186	V178-K182 VanDerWaalsContact O-CB 3.31Å; V178-K182 WeakPolarHBondContact O-CB 3.28Å; V178-K182 PolarHBondContact O-N 3.13Å; N179-K182 PolarHBondContact O-N 3Å; K182-S185 PolarHBondContact O-OG 3.23Å; K182-T186 VanDerWaalsContact O-CB 3.27Å; K182-T186 WeakPolarHBondContact O-CB 3.43Å; K182-T186 PolarHBondContact O-N 3.16Å; K182-T186 PolarHBondContact O-OG1 3.28Å
183	A	94.3	Very high	91.8	Very high	5 Å²	5	41.8 Å²	41.8	4%	0.041	22%	0.222	C	C	.	.	H	α-helix	trans	-67	-41.8	175.8	0	0	0	0	0	112.2	N179 W180 F181 G187 Y288 F289	N179-A183 WeakPolarHBondContact O-CB 3.48Å; N179-A183 PolarHBondContact O-N 3.25Å; W180-A183 PolarHBondContact O-N 3.4Å; F181-A183 VanDerWaalsContact C-N 3.34Å; A183-G187 WeakPolarHBondContact O-CA 3.36Å; A183-G187 PolarHBondContact O-N 2.8Å; A183-Y288 HydrophobicContact CB-CD1 3.33Å; A183-Y288 HydrophobicContact CB-CE1 4.03Å; A183-Y288 HydrophobicContact CB-CG 4.18Å; A183-F289 HydrophobicContact CB-CB 4.25Å
184	L	93.4	Very high	91.5	Very high	6 Å²	6	41.7 Å²	41.7	3%	0.031	22%	0.222	C	C	.	.	H	α-helix	trans	-54.7	-59.1	172.2	168.6	64.5	0	0	0	110.7	I123 I128 W180 F181 T186 G187 L188 F289	I123-L184 HydrophobicContact CG2-CD1 4.28Å; I128-L184 HydrophobicContact CB-CD2 3.77Å; I128-L184 HydrophobicContact CG1-CD1 4.09Å; I128-L184 HydrophobicContact CG1-CD2 3.64Å; I128-L184 HydrophobicContact CG2-CD2 3.96Å; W180-L184 PolarHBondContact O-N 3.27Å; F181-L184 HydrophobicContact CD1-CD2 3.81Å; F181-L184 HydrophobicContact CE1-CD2 4.17Å; F181-L184 PolarHBondContact O-N 3.3Å; L184-T186 PolarHBondContact O-N 3.34Å; L184-G187 PolarHBondContact O-N 3.3Å; L184-L188 HydrophobicContact CD1-CB 4.29Å; L184-L188 HydrophobicContact CD1-CD2 4.18Å; L184-L188 WeakPolarHBondContact O-CB 3.41Å; L184-L188 PolarHBondContact O-N 3.25Å; L184-F289 HydrophobicContact CB-CD2 3.68Å; L184-F289 HydrophobicContact CB-CE2 3.94Å; L184-F289 HydrophobicContact CB-CG 4.09Å; L184-F289 HydrophobicContact CD1-CD1 3.97Å; L184-F289 HydrophobicContact CD1-CD2 4.17Å; L184-F289 HydrophobicContact CD1-CE1 3.6Å; L184-F289 HydrophobicContact CD1-CE2 3.84Å; L184-F289 HydrophobicContact CD1-CG 4.27Å; L184-F289 HydrophobicContact CD1-CZ 3.55Å; L184-F289 HydrophobicContact CD2-CE2 4.5Å; L184-F289 HydrophobicContact CG-CD2 4.45Å; L184-F289 HydrophobicContact CG-CE2 4.28Å; L184-F289 HydrophobicContact CG-CZ 4.45Å
185	S	90.6	Very high	91.3	Very high	62 Å²	62	45.4 Å²	45.4	43%	0.434	23%	0.234	S	C	.	.	H	α-helix	trans	-60.9	-46	-173.7	54.1	0	0	0	0	111.4	F181 K182 T189	F181-S185 WeakPolarHBondContact O-CB 3.22Å; F181-S185 PolarHBondContact O-N 3.38Å; F181-S185 PolarHBondContact O-OG 2.91Å; K182-S185 PolarHBondContact O-OG 3.23Å; S185-T189 WeakPolarHBondContact O-CB 3.12Å; S185-T189 PolarHBondContact O-N 3.19Å; S185-T189 VanDerWaalsContact O-N 3.11Å; S185-T189 PolarHBondContact O-OG1 2.77Å
186	T	89.6	Confident	91	Very high	40 Å²	40	43.9 Å²	43.9	25%	0.245	22%	0.222	C	C	.	.	H	α-helix	trans	-68.4	-50.7	-179.7	-52.4	0	0	0	0	111.3	K182 L184 R190 D285	K182-T186 VanDerWaalsContact O-CB 3.27Å; K182-T186 WeakPolarHBondContact O-CB 3.43Å; K182-T186 PolarHBondContact O-N 3.16Å; K182-T186 PolarHBondContact O-OG1 3.28Å; L184-T186 PolarHBondContact O-N 3.34Å; T186-R190 WeakPolarHBondContact O-CB 3.23Å; T186-R190 VanDerWaalsContact O-CG 3.26Å; T186-R190 WeakPolarHBondContact O-CG 3.49Å; T186-R190 PolarHBondContact O-N 3.5Å; T186-D285 HydrophobicContact CG2-CB 4.4Å; T186-D285 WeakPolarHBondContact CG2-OD2 3.46Å
187	G	92	Very high	90.5	Very high	3 Å²	3	42.3 Å²	42.3	3%	0.031	21%	0.214	C	C	.	.	H	α-helix	trans	-65.6	-45.5	-176.9	0	0	0	0	0	113	A183 L184 R190 Y191	A183-G187 WeakPolarHBondContact O-CA 3.36Å; A183-G187 PolarHBondContact O-N 2.8Å; L184-G187 PolarHBondContact O-N 3.3Å; G187-R190 PolarHBondContact O-N 3.36Å; G187-Y191 WeakPolarHBondContact O-CB 3.45Å; G187-Y191 PolarHBondContact O-N 3.08Å
188	L	90.8	Very high	90.4	Very high	14 Å²	14	41.3 Å²	41.3	7%	0.073	21%	0.208	C	C	.	.	H	α-helix	trans	-67	-44.1	178.7	-176	65.5	0	0	0	111.6	F116 I123 L184 R190 Y191 L192	F116-L188 HydrophobicContact CE1-CD1 4.06Å; F116-L188 HydrophobicContact CZ-CD1 4.29Å; I123-L188 HydrophobicContact CB-CD1 4.28Å; I123-L188 HydrophobicContact CB-CD2 3.72Å; I123-L188 HydrophobicContact CD1-CD1 4.19Å; I123-L188 HydrophobicContact CG2-CD1 4.44Å; I123-L188 HydrophobicContact CG2-CD2 3.61Å; I123-L188 VanDerWaalsContact O-CD2 3.22Å; I123-L188 WeakPolarHBondContact O-CD2 3.46Å; L184-L188 HydrophobicContact CD1-CB 4.29Å; L184-L188 HydrophobicContact CD1-CD2 4.18Å; L184-L188 WeakPolarHBondContact O-CB 3.41Å; L184-L188 PolarHBondContact O-N 3.25Å; L188-R190 VanDerWaalsContact C-N 3.33Å; L188-R190 PolarHBondContact O-N 2.91Å; L188-Y191 HydrophobicContact CD1-CD1 4.5Å; L188-Y191 PolarHBondContact O-N 3.01Å; L188-L192 HydrophobicContact CD1-CD1 3.96Å; L188-L192 HydrophobicContact CD1-CD2 4.43Å; L188-L192 HydrophobicContact CD1-CG 3.95Å; L188-L192 HydrophobicContact CD2-CD1 4.34Å; L188-L192 HydrophobicContact CG-CD1 3.79Å; L188-L192 HydrophobicContact CG-CG 4.15Å; L188-L192 WeakPolarHBondContact O-CB 3.38Å; L188-L192 WeakPolarHBondContact O-CG 3.34Å; L188-L192 PolarHBondContact O-N 3.46Å
189	T	86.5	Confident	90.1	Very high	64 Å²	64	38.9 Å²	38.9	39%	0.393	19%	0.19	S	C	.	.	H	α-helix	trans	-59.7	-45.4	177.9	-62.6	0	0	0	0	111.1	S185 N193	S185-T189 WeakPolarHBondContact O-CB 3.12Å; S185-T189 PolarHBondContact O-N 3.19Å; S185-T189 VanDerWaalsContact O-N 3.11Å; S185-T189 PolarHBondContact O-OG1 2.77Å; T189-N193 WeakPolarHBondContact CG2-ND2 3.13Å; T189-N193 VanDerWaalsContact O-CB 3.23Å; T189-N193 WeakPolarHBondContact O-CB 3.18Å; T189-N193 PolarHBondContact O-N 3.44Å; T189-N193 PolarHBondContact O-ND2 3.07Å
190	R	88.6	Confident	89.6	Confident	106 Å²	106	36.3 Å²	36.3	40%	0.4	18%	0.176	S	C	.	.	H	α-helix	trans	-60.9	-46.3	176.1	-73.9	173	179.8	-176.4	-4.4	111.6	T186 G187 L188 T194 D285	T186-R190 WeakPolarHBondContact O-CB 3.23Å; T186-R190 VanDerWaalsContact O-CG 3.26Å; T186-R190 WeakPolarHBondContact O-CG 3.49Å; T186-R190 PolarHBondContact O-N 3.5Å; G187-R190 PolarHBondContact O-N 3.36Å; L188-R190 VanDerWaalsContact C-N 3.33Å; L188-R190 PolarHBondContact O-N 2.91Å; R190-T194 VanDerWaalsContact O-CB 3.3Å; R190-T194 WeakPolarHBondContact O-CB 3.45Å; R190-T194 PolarHBondContact O-N 2.89Å; R190-T194 PolarHBondContact O-OG1 3.12Å; R190-D285 IonicContact CZ-OD2 3.64Å; R190-D285 IonicContact NE-OD2 3.52Å; R190-D285 IonicContact NH1-OD2 2.84Å; R190-D285 PolarHBondContact NH1-OD2 3.15Å
191	Y	91.1	Very high	89.4	Confident	7 Å²	7	36 Å²	36	3%	0.027	18%	0.175	C	C	.	.	H	α-helix	trans	-60.9	-50.7	178.1	172.1	-102.4	0	0	0	112.2	F72 P76 F116 P120 G187 L188 T194 R195 L286	F72-Y191 HydrophobicContact CD1-CE2 4.05Å; F72-Y191 AromaticContact CE1-CD2 3.64Å; F72-Y191 HydrophobicContact CE1-CD2 3.64Å; F72-Y191 AromaticContact CE1-CE2 3.34Å; F72-Y191 HydrophobicContact CE1-CE2 3.34Å; F72-Y191 HydrophobicContact CE2-CD2 4.23Å; F72-Y191 AromaticContact CZ-CD2 3.39Å; F72-Y191 HydrophobicContact CZ-CD2 3.39Å; F72-Y191 AromaticContact CZ-CE2 3.61Å; F72-Y191 HydrophobicContact CZ-CE2 3.61Å; F72-Y191 HydrophobicContact CZ-CG 4.31Å; P76-Y191 HydrophobicContact CG-CE1 4.31Å; P76-Y191 HydrophobicContact CG-CE2 3.92Å; P76-Y191 WeakPolarHBondContact CG-OH 3.46Å; F116-Y191 HydrophobicContact CD1-CE1 4.14Å; F116-Y191 HydrophobicContact CE1-CD1 4.15Å; F116-Y191 AromaticContact CE1-CE1 4Å; F116-Y191 HydrophobicContact CE1-CE1 4Å; P120-Y191 HydrophobicContact CB-CE1 4.5Å; G187-Y191 WeakPolarHBondContact O-CB 3.45Å; G187-Y191 PolarHBondContact O-N 3.08Å; L188-Y191 HydrophobicContact CD1-CD1 4.5Å; L188-Y191 PolarHBondContact O-N 3.01Å; Y191-T194 PolarHBondContact O-N 3.36Å; Y191-R195 WeakPolarHBondContact O-CB 3.43Å; Y191-R195 PolarHBondContact O-N 3.34Å; Y191-L286 HydrophobicContact CD2-CD2 4.34Å; Y191-L286 HydrophobicContact CG-CD2 4.43Å
192	L	88.6	Confident	89.2	Confident	40 Å²	40	40 Å²	40	21%	0.209	19%	0.189	C	C	.	.	H	α-helix	trans	-66.1	-40.8	-177.6	-68.1	178.5	0	0	0	112.2	P120 L188 R195 K196	P120-L192 HydrophobicContact CB-CD2 4.11Å; L188-L192 HydrophobicContact CD1-CD1 3.96Å; L188-L192 HydrophobicContact CD1-CD2 4.43Å; L188-L192 HydrophobicContact CD1-CG 3.95Å; L188-L192 HydrophobicContact CD2-CD1 4.34Å; L188-L192 HydrophobicContact CG-CD1 3.79Å; L188-L192 HydrophobicContact CG-CG 4.15Å; L188-L192 WeakPolarHBondContact O-CB 3.38Å; L188-L192 WeakPolarHBondContact O-CG 3.34Å; L188-L192 PolarHBondContact O-N 3.46Å; L192-R195 WeakPolarHBondContact O-CB 3.42Å; L192-R195 PolarHBondContact O-N 2.9Å; L192-K196 WeakPolarHBondContact O-CB 3.47Å; L192-K196 PolarHBondContact O-N 3.13Å
193	N	85.1	Confident	88.9	Confident	17 Å²	17	35.8 Å²	35.8	9%	0.091	18%	0.176	C	C	.	.	H	α-helix	trans	-63.5	-46.1	176	-75.5	-16.2	0	0	0	111.5	T189 R195 K196 I197 N272 L273	T189-N193 WeakPolarHBondContact CG2-ND2 3.13Å; T189-N193 VanDerWaalsContact O-CB 3.23Å; T189-N193 WeakPolarHBondContact O-CB 3.18Å; T189-N193 PolarHBondContact O-N 3.44Å; T189-N193 PolarHBondContact O-ND2 3.07Å; N193-R195 VanDerWaalsContact C-N 3.35Å; N193-R195 PolarHBondContact O-N 3.42Å; N193-K196 PolarHBondContact O-N 3.4Å; N193-I197 WeakPolarHBondContact O-CG1 3.27Å; N193-I197 PolarHBondContact O-N 3.42Å; N193-N272 PolarHBondContact ND2-O 3.45Å; N193-L273 HydrophobicContact CB-CD2 3.71Å; N193-L273 WeakPolarHBondContact O-CD2 3.33Å
194	T	88.6	Confident	88.4	Confident	2 Å²	2	35.8 Å²	35.8	1%	0.012	18%	0.175	C	C	.	.	H	α-helix	trans	-60.3	-45.8	175.2	-60.4	0	0	0	0	111.2	F72 R190 Y191 K196 I197 L198 S276 I281 L375	F72-T194 HydrophobicContact CD2-CG2 4.15Å; F72-T194 HydrophobicContact CE1-CG2 4.28Å; F72-T194 HydrophobicContact CE2-CG2 3.36Å; F72-T194 HydrophobicContact CZ-CG2 3.45Å; F72-T194 VanDerWaalsContact CZ-CG2 3.45Å; R190-T194 VanDerWaalsContact O-CB 3.3Å; R190-T194 WeakPolarHBondContact O-CB 3.45Å; R190-T194 PolarHBondContact O-N 2.89Å; R190-T194 PolarHBondContact O-OG1 3.12Å; Y191-T194 PolarHBondContact O-N 3.36Å; T194-K196 VanDerWaalsContact C-N 3.3Å; T194-K196 PolarHBondContact O-N 3.33Å; T194-I197 PolarHBondContact O-N 3.3Å; T194-L198 HydrophobicContact CG2-CD1 3.98Å; T194-L198 HydrophobicContact CG2-CG 4.35Å; T194-L198 WeakPolarHBondContact O-CB 3.39Å; T194-L198 WeakPolarHBondContact O-CG 3.41Å; T194-L198 PolarHBondContact O-N 2.93Å; T194-S276 PolarHBondContact OG1-OG 2.91Å; T194-I281 HydrophobicContact CG2-CD1 3.67Å; T194-I281 HydrophobicContact CG2-CG2 4.4Å; T194-L375 HydrophobicContact CG2-CD2 3.84Å
195	R	89.5	Confident	88.3	Confident	84 Å²	84	35.5 Å²	35.5	32%	0.317	17%	0.174	S	C	.	.	H	α-helix	trans	-56	-45.7	175.9	-169.3	173.2	174.8	-114.5	5.2	111.1	F72 N73 Y191 L192 N193 L198 Q199	F72-R195 HydrophobicContact CE1-CB 3.87Å; F72-R195 HydrophobicContact CE1-CG 4.4Å; N73-R195 PolarHBondContact OD1-NE 2.8Å; Y191-R195 WeakPolarHBondContact O-CB 3.43Å; Y191-R195 PolarHBondContact O-N 3.34Å; L192-R195 WeakPolarHBondContact O-CB 3.42Å; L192-R195 PolarHBondContact O-N 2.9Å; N193-R195 VanDerWaalsContact C-N 3.35Å; N193-R195 PolarHBondContact O-N 3.42Å; R195-L198 PolarHBondContact O-N 3.4Å; R195-Q199 VanDerWaalsContact O-CG 3.31Å; R195-Q199 WeakPolarHBondContact O-CG 3.23Å; R195-Q199 PolarHBondContact O-N 3.44Å
196	K	85.2	Confident	88.2	Confident	80 Å²	80	35.5 Å²	35.5	35%	0.348	17%	0.169	S	C	.	.	H	α-helix	trans	-60.8	-50.2	179	-172.7	168.5	-174.2	164.2	0	111.3	L192 N193 T194 L198 Q199 I200 L273	L192-K196 WeakPolarHBondContact O-CB 3.47Å; L192-K196 PolarHBondContact O-N 3.13Å; N193-K196 PolarHBondContact O-N 3.4Å; T194-K196 VanDerWaalsContact C-N 3.3Å; T194-K196 PolarHBondContact O-N 3.33Å; K196-L198 VanDerWaalsContact C-N 3.33Å; K196-L198 PolarHBondContact O-N 3.31Å; K196-Q199 PolarHBondContact O-N 2.97Å; K196-I200 HydrophobicContact CG-CD1 3.93Å; K196-I200 VanDerWaalsContact O-CD1 3.22Å; K196-I200 WeakPolarHBondContact O-CD1 3.26Å; K196-I200 VanDerWaalsContact O-CG1 3.28Å; K196-I200 WeakPolarHBondContact O-CG1 3.49Å; K196-I200 PolarHBondContact O-N 3.24Å; K196-L273 HydrophobicContact CB-CD2 4.31Å; K196-L273 HydrophobicContact CD-CD2 4.45Å
197	I	85	Confident	88.1	Confident	5 Å²	5	37.5 Å²	37.5	3%	0.026	19%	0.185	C	C	.	.	H	α-helix	trans	-53.7	-51.4	176.5	-71.6	164.6	0	0	0	110.3	N193 T194 Q199 I200 M201 F262 L273 Y277	N193-I197 WeakPolarHBondContact O-CG1 3.27Å; N193-I197 PolarHBondContact O-N 3.42Å; T194-I197 PolarHBondContact O-N 3.3Å; I197-Q199 VanDerWaalsContact C-N 3.35Å; I197-Q199 PolarHBondContact O-N 2.92Å; I197-I200 PolarHBondContact O-N 2.87Å; I197-M201 HydrophobicContact CG2-CG 4.35Å; I197-M201 HydrophobicContact CG2-SD 3.88Å; I197-M201 WeakPolarHBondContact O-CG 3.48Å; I197-M201 PolarHBondContact O-N 3.19Å; I197-F262 HydrophobicContact CG2-CE1 4.34Å; I197-F262 HydrophobicContact CG2-CZ 4.09Å; I197-L273 HydrophobicContact CD1-CB 4.28Å; I197-L273 HydrophobicContact CD1-CD2 4.01Å; I197-L273 HydrophobicContact CG1-CD2 3.83Å; I197-Y277 HydrophobicContact CD1-CD2 4.42Å; I197-Y277 HydrophobicContact CG2-CD2 4.17Å; I197-Y277 HydrophobicContact CG2-CE2 4.39Å
198	L	89.7	Confident	87.8	Confident	2 Å²	2	37.8 Å²	37.8	1%	0.01	19%	0.187	C	C	.	.	H	α-helix	trans	-60.4	-40.7	-179.4	-74.5	177.5	0	0	0	113.2	L65 I69 F72 T194 R195 K196 M201 R202 L375	L65-L198 HydrophobicContact CD1-CD2 3.63Å; I69-L198 HydrophobicContact CD1-CB 4.17Å; I69-L198 WeakPolarHBondContact CD1-O 3.35Å; I69-L198 HydrophobicContact CG1-CB 3.94Å; I69-L198 HydrophobicContact CG1-CD1 4.28Å; I69-L198 HydrophobicContact CG1-CD2 4.2Å; I69-L198 HydrophobicContact CG1-CG 4.38Å; F72-L198 HydrophobicContact CB-CD1 4.25Å; F72-L198 HydrophobicContact CD1-CD1 3.9Å; F72-L198 HydrophobicContact CD2-CD1 4.22Å; F72-L198 HydrophobicContact CE1-CD1 4.34Å; F72-L198 HydrophobicContact CG-CD1 3.85Å; T194-L198 HydrophobicContact CG2-CD1 3.98Å; T194-L198 HydrophobicContact CG2-CG 4.35Å; T194-L198 WeakPolarHBondContact O-CB 3.39Å; T194-L198 WeakPolarHBondContact O-CG 3.41Å; T194-L198 PolarHBondContact O-N 2.93Å; R195-L198 PolarHBondContact O-N 3.4Å; K196-L198 VanDerWaalsContact C-N 3.33Å; K196-L198 PolarHBondContact O-N 3.31Å; L198-M201 PolarHBondContact O-N 3.42Å; L198-R202 WeakPolarHBondContact O-CB 3.38Å; L198-R202 PolarHBondContact O-N 3.48Å; L198-L375 HydrophobicContact CD1-CD1 4.22Å; L198-L375 HydrophobicContact CD2-CD1 3.75Å; L198-L375 HydrophobicContact CG-CD1 4.41Å
199	Q	87.2	Confident	87.7	Confident	41 Å²	41	38 Å²	38	19%	0.192	19%	0.19	C	C	.	.	H	α-helix	trans	-65.9	-37.7	176.6	-69.5	-59.7	-19	0	0	112.5	R195 K196 I197 R202 T203	R195-Q199 VanDerWaalsContact O-CG 3.31Å; R195-Q199 WeakPolarHBondContact O-CG 3.23Å; R195-Q199 PolarHBondContact O-N 3.44Å; K196-Q199 PolarHBondContact O-N 2.97Å; I197-Q199 VanDerWaalsContact C-N 3.35Å; I197-Q199 PolarHBondContact O-N 2.92Å; Q199-R202 PolarHBondContact O-N 3.33Å; Q199-T203 WeakPolarHBondContact O-CB 3.25Å; Q199-T203 PolarHBondContact O-N 3.47Å; Q199-T203 PolarHBondContact O-OG1 2.92Å
200	I	83.6	Confident	87.9	Confident	23 Å²	23	36 Å²	36	12%	0.118	18%	0.178	C	C	.	.	H	α-helix	trans	-69.3	-46.4	177.1	-57.1	147.1	0	0	0	109.9	K196 I197 R202 T203 I204 F262 F443	K196-I200 HydrophobicContact CG-CD1 3.93Å; K196-I200 VanDerWaalsContact O-CD1 3.22Å; K196-I200 WeakPolarHBondContact O-CD1 3.26Å; K196-I200 VanDerWaalsContact O-CG1 3.28Å; K196-I200 WeakPolarHBondContact O-CG1 3.49Å; K196-I200 PolarHBondContact O-N 3.24Å; I197-I200 PolarHBondContact O-N 2.87Å; I200-R202 VanDerWaalsContact C-N 3.27Å; I200-R202 PolarHBondContact O-N 2.99Å; I200-T203 WeakPolarHBondContact O-CA 3.36Å; I200-T203 WeakPolarHBondContact O-CB 3.37Å; I200-T203 PolarHBondContact O-N 3.44Å; I200-I204 HydrophobicContact CG2-CD1 3.78Å; I200-I204 HydrophobicContact CG2-CG1 4.19Å; I200-I204 VanDerWaalsContact O-CG1 3.29Å; I200-I204 WeakPolarHBondContact O-CG1 3.26Å; I200-I204 PolarHBondContact O-N 2.76Å; I200-F262 HydrophobicContact CB-CE2 3.73Å; I200-F262 HydrophobicContact CB-CZ 4.28Å; I200-F262 HydrophobicContact CD1-CE2 4.44Å; I200-F262 HydrophobicContact CG2-CD2 3.91Å; I200-F262 HydrophobicContact CG2-CE2 3.35Å; I200-F262 HydrophobicContact CG2-CZ 4.34Å; I200-F443 HydrophobicContact CD1-CD1 4.16Å; I200-F443 HydrophobicContact CD1-CE1 3.21Å; I200-F443 HydrophobicContact CD1-CZ 3.78Å; I200-F443 HydrophobicContact CG1-CE1 3.92Å; I200-F443 HydrophobicContact CG1-CZ 4.38Å; I200-F443 HydrophobicContact CG2-CE1 4.42Å; I200-F443 HydrophobicContact CG2-CZ 4.08Å
201	M	88.5	Confident	87.8	Confident	1 Å²	1	40 Å²	40	1%	0.005	20%	0.198	C	C	.	.	H	α-helix	trans	-55.2	-45.7	174.8	-68	179.1	83.3	0	0	111.2	L65 I197 L198 T203 I204 L205 F258 F262 Y378 L379	L65-M201 HydrophobicContact CD2-CB 3.84Å; I197-M201 HydrophobicContact CG2-CG 4.35Å; I197-M201 HydrophobicContact CG2-SD 3.88Å; I197-M201 WeakPolarHBondContact O-CG 3.48Å; I197-M201 PolarHBondContact O-N 3.19Å; L198-M201 PolarHBondContact O-N 3.42Å; M201-T203 VanDerWaalsContact C-N 3.3Å; M201-T203 PolarHBondContact O-N 3.44Å; M201-I204 PolarHBondContact O-N 2.8Å; M201-L205 WeakPolarHBondContact O-CB 3.34Å; M201-L205 WeakPolarHBondContact O-CG 3.44Å; M201-L205 PolarHBondContact O-N 3.31Å; M201-F258 HydrophobicContact CB-CE2 4.33Å; M201-F258 HydrophobicContact CE-CE2 3.86Å; M201-F258 HydrophobicContact CE-CZ 3.59Å; M201-F258 HydrophobicContact CG-CE2 4.26Å; M201-F262 HydrophobicContact CG-CD1 4.17Å; M201-F262 HydrophobicContact CG-CE1 3.33Å; M201-F262 HydrophobicContact CG-CE2 4.39Å; M201-F262 HydrophobicContact CG-CZ 3.45Å; M201-F262 VanDerWaalsContact CG-CZ 3.45Å; M201-F262 HydrophobicContact SD-CE1 3.99Å; M201-F262 HydrophobicContact SD-CZ 4.45Å; M201-Y378 HydrophobicContact CE-CD1 4.47Å; M201-Y378 HydrophobicContact CE-CE1 3.64Å; M201-L379 HydrophobicContact CE-CD2 4.2Å; M201-L379 HydrophobicContact SD-CD2 4.01Å
202	R	90.8	Very high	87.9	Confident	97 Å²	97	41.3 Å²	41.3	37%	0.366	21%	0.209	S	C	.	.	H	α-helix	trans	-57.1	-45.7	175	-173.1	-174.9	-179.1	-167.2	2.3	111.4	Y62 E66 I69 L198 Q199 I200 N206	Y62-R202 HydrophobicContact CE2-CG 3.95Å; E66-R202 IonicContact OE1-NE 3.88Å; E66-R202 IonicContact OE1-NH2 3.96Å; I69-R202 HydrophobicContact CD1-CB 3.7Å; I69-R202 HydrophobicContact CD1-CG 4.15Å; L198-R202 WeakPolarHBondContact O-CB 3.38Å; L198-R202 PolarHBondContact O-N 3.48Å; Q199-R202 PolarHBondContact O-N 3.33Å; I200-R202 VanDerWaalsContact C-N 3.27Å; I200-R202 PolarHBondContact O-N 2.99Å; R202-N206 WeakPolarHBondContact O-CB 3.32Å; R202-N206 PolarHBondContact O-N 3.46Å
203	T	87.4	Confident	88	Confident	52 Å²	52	39.4 Å²	39.4	32%	0.319	20%	0.199	S	C	.	.	H	α-helix	trans	-64.2	-45.8	-179.3	-58.6	0	0	0	0	111.7	Q199 I200 M201 S207	Q199-T203 WeakPolarHBondContact O-CB 3.25Å; Q199-T203 PolarHBondContact O-N 3.47Å; Q199-T203 PolarHBondContact O-OG1 2.92Å; I200-T203 WeakPolarHBondContact O-CA 3.36Å; I200-T203 WeakPolarHBondContact O-CB 3.37Å; I200-T203 PolarHBondContact O-N 3.44Å; M201-T203 VanDerWaalsContact C-N 3.3Å; M201-T203 PolarHBondContact O-N 3.44Å; T203-S207 PolarHBondContact O-N 3.42Å
204	I	85.7	Confident	88.2	Confident	6 Å²	6	39.9 Å²	39.9	3%	0.031	20%	0.204	C	C	.	.	H	α-helix	trans	-60.1	-54.8	178.5	-65.4	172.8	0	0	0	109.6	I200 M201 N206 S207 F258 F262 Y441	I200-I204 HydrophobicContact CG2-CD1 3.78Å; I200-I204 HydrophobicContact CG2-CG1 4.19Å; I200-I204 VanDerWaalsContact O-CG1 3.29Å; I200-I204 WeakPolarHBondContact O-CG1 3.26Å; I200-I204 PolarHBondContact O-N 2.76Å; M201-I204 PolarHBondContact O-N 2.8Å; I204-N206 VanDerWaalsContact C-N 3.34Å; I204-N206 PolarHBondContact O-N 3.19Å; I204-S207 PolarHBondContact O-N 3.26Å; I204-S207 VanDerWaalsContact O-N 3.15Å; I204-S207 PolarHBondContact O-OG 2.85Å; I204-F258 HydrophobicContact CG2-CB 4.36Å; I204-F258 HydrophobicContact CG2-CD2 3.92Å; I204-F262 HydrophobicContact CD1-CB 4.04Å; I204-F262 HydrophobicContact CD1-CD2 3.32Å; I204-F262 HydrophobicContact CD1-CE2 3.99Å; I204-F262 HydrophobicContact CD1-CG 3.82Å; I204-Y441 HydrophobicContact CB-CD1 4.48Å; I204-Y441 HydrophobicContact CB-CE1 4.16Å; I204-Y441 HydrophobicContact CD1-CD1 3.84Å; I204-Y441 HydrophobicContact CD1-CD2 3.52Å; I204-Y441 HydrophobicContact CD1-CE1 3.9Å; I204-Y441 HydrophobicContact CD1-CE2 3.61Å; I204-Y441 HydrophobicContact CD1-CG 3.63Å; I204-Y441 HydrophobicContact CG1-CD1 3.49Å; I204-Y441 VanDerWaalsContact CG1-CD1 3.49Å; I204-Y441 HydrophobicContact CG1-CD2 4.15Å; I204-Y441 HydrophobicContact CG1-CE1 3.58Å; I204-Y441 HydrophobicContact CG1-CE2 4.25Å; I204-Y441 HydrophobicContact CG1-CG 3.77Å; I204-Y441 HydrophobicContact CG2-CD1 4.46Å; I204-Y441 HydrophobicContact CG2-CE1 3.66Å
205	L	90.1	Very high	88.1	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-68.1	-33.4	-176.6	-65.5	-173.5	0	0	0	113	F56 T60 Y62 L65 M201 S207 G208 F258	F56-L205 HydrophobicContact CE1-CD2 3.78Å; F56-L205 HydrophobicContact CZ-CD2 4.3Å; T60-L205 HydrophobicContact CG2-CD2 3.63Å; Y62-L205 HydrophobicContact CD2-CB 3.36Å; Y62-L205 HydrophobicContact CD2-CD1 4.08Å; Y62-L205 HydrophobicContact CD2-CG 4.38Å; Y62-L205 HydrophobicContact CE2-CB 3.97Å; Y62-L205 HydrophobicContact CG-CB 4.22Å; L65-L205 HydrophobicContact CD2-CD1 3.83Å; M201-L205 WeakPolarHBondContact O-CB 3.34Å; M201-L205 WeakPolarHBondContact O-CG 3.44Å; M201-L205 PolarHBondContact O-N 3.31Å; L205-S207 VanDerWaalsContact C-N 3.33Å; L205-G208 PolarHBondContact O-N 2.9Å; L205-F258 HydrophobicContact CD1-CE1 4.21Å; L205-F258 HydrophobicContact CD1-CE2 4.02Å; L205-F258 HydrophobicContact CD1-CZ 3.71Å; L205-F258 HydrophobicContact CD2-CB 4.46Å; L205-F258 HydrophobicContact CD2-CD1 3.8Å; L205-F258 HydrophobicContact CD2-CD2 3.69Å; L205-F258 HydrophobicContact CD2-CE1 3.89Å; L205-F258 HydrophobicContact CD2-CE2 3.78Å; L205-F258 HydrophobicContact CD2-CG 3.71Å; L205-F258 HydrophobicContact CD2-CZ 3.88Å; L205-F258 HydrophobicContact CG-CD2 4.13Å; L205-F258 HydrophobicContact CG-CE1 4.45Å; L205-F258 HydrophobicContact CG-CE2 3.79Å; L205-F258 HydrophobicContact CG-CZ 3.97Å
206	N	89.7	Confident	88.1	Confident	61 Å²	61	40.5 Å²	40.5	33%	0.326	21%	0.211	S	C	.	.	H	α-helix	trans	-73.8	-22.7	174.9	-170.1	36.9	0	0	0	113.2	K53 Y62 R202 I204 G208	K53-N206 WeakPolarHBondContact CE-O 3.5Å; K53-N206 WeakPolarHBondContact CE-OD1 3.42Å; K53-N206 PolarHBondContact NZ-O 2.88Å; K53-N206 PolarHBondContact NZ-OD1 3.38Å; Y62-N206 HydrophobicContact CE2-CB 4Å; R202-N206 WeakPolarHBondContact O-CB 3.32Å; R202-N206 PolarHBondContact O-N 3.46Å; I204-N206 VanDerWaalsContact C-N 3.34Å; I204-N206 PolarHBondContact O-N 3.19Å; N206-G208 PolarHBondContact O-N 2.8Å
207	S	85.8	Confident	88.1	Confident	83 Å²	83	36.8 Å²	36.8	58%	0.58	20%	0.195	S	C	*	.	H	α-helix	trans	-66.7	-20.5	171.6	72	0	0	0	0	112.5	T203 I204 L205	T203-S207 PolarHBondContact O-N 3.42Å; I204-S207 PolarHBondContact O-N 3.26Å; I204-S207 VanDerWaalsContact O-N 3.15Å; I204-S207 PolarHBondContact O-OG 2.85Å; L205-S207 VanDerWaalsContact C-N 3.33Å
208	G	86.9	Confident	87.9	Confident	9 Å²	9	39.3 Å²	39.3	9%	0.093	20%	0.204	C	C	.	.			trans	78.1	-172.5	-177.5	0	0	0	0	0	112.7	L205 N206	L205-G208 PolarHBondContact O-N 2.9Å; N206-G208 PolarHBondContact O-N 2.8Å
209	P	88.8	Confident	87.6	Confident	18 Å²	18	39.8 Å²	39.8	12%	0.117	21%	0.206	C	C	.	.	S	Bend	trans	-71.3	156.2	-178.5	25.5	-28	0	0	0	111.9	F56 C213 S214 M217	F56-P209 HydrophobicContact CB-CB 4.33Å; F56-P209 HydrophobicContact CB-CG 3.96Å; F56-P209 HydrophobicContact CD2-CB 3.85Å; F56-P209 HydrophobicContact CD2-CG 4.4Å; F56-P209 HydrophobicContact CE2-CB 4.34Å; F56-P209 HydrophobicContact CG-CB 4.08Å; F56-P209 HydrophobicContact CG-CG 4.21Å; P209-C213 HydrophobicContact CB-CB 3.93Å; P209-C213 WeakPolarHBondContact CB-SG 3.05Å; P209-S214 WeakPolarHBondContact CG-OG 3.31Å; P209-M217 HydrophobicContact CB-SD 4.25Å; P209-M217 HydrophobicContact CG-SD 4.29Å
210	S	89.4	Confident	87.5	Confident	23 Å²	23	37.9 Å²	37.9	16%	0.161	20%	0.198	C	C	.	.			trans	-59.4	162.6	171.6	78.6	0	0	0	0	111.5	S212 C213 S214 D438	S210-S212 VanDerWaalsContact C-N 3.28Å; S210-S212 PolarHBondContact O-N 3.42Å; S210-C213 PolarHBondContact O-N 3.49Å; S210-C213 WeakPolarHBondContact OG-CB 3.45Å; S210-C213 PolarHBondContact OG-N 2.86Å; S210-S214 WeakPolarHBondContact O-CB 3.41Å; S210-S214 PolarHBondContact O-N 3.09Å; S210-S214 PolarHBondContact O-OG 3.37Å; S210-D438 WeakPolarHBondContact CB-OD1 3.21Å
211	K	87.7	Confident	87.1	Confident	188 Å²	188	37 Å²	37	82%	0.817	19%	0.193	S	C	*	.	H	α-helix	trans	-60.5	-40.1	176.2	-174.1	178.7	179.3	-178.1	0	111.7	H215	K211-H215 WeakPolarHBondContact O-CB 3.44Å; K211-H215 PolarHBondContact O-N 3.32Å; K211-H215 VanDerWaalsContact O-N 3.08Å
212	S	91.8	Very high	86.2	Confident	35 Å²	35	38.2 Å²	38.2	25%	0.245	20%	0.2	C	C	.	.	H	α-helix	trans	-63.2	-47.7	176	-165.2	0	0	0	0	110.3	S210 S214 H215 C216 K433	S210-S212 VanDerWaalsContact C-N 3.28Å; S210-S212 PolarHBondContact O-N 3.42Å; S212-S214 PolarHBondContact O-N 3.46Å; S212-H215 PolarHBondContact O-N 3.47Å; S212-C216 PolarHBondContact O-N 3Å; S212-C216 PolarHBondContact O-SG 2.92Å; S212-K433 PolarHBondContact OG-N 2.94Å
213	C	92.5	Very high	85.4	Confident	1 Å²	1	33.9 Å²	33.9	1%	0.007	19%	0.185	C	C	.	.	H	α-helix	trans	-60.9	-47	178	170.1	0	0	0	0	111.7	P209 S210 H215 C216 M217 C254 V432	P209-C213 HydrophobicContact CB-CB 3.93Å; P209-C213 WeakPolarHBondContact CB-SG 3.05Å; S210-C213 PolarHBondContact O-N 3.49Å; S210-C213 WeakPolarHBondContact OG-CB 3.45Å; S210-C213 PolarHBondContact OG-N 2.86Å; C213-H215 VanDerWaalsContact C-N 3.27Å; C213-H215 PolarHBondContact O-N 3.43Å; C213-C216 PolarHBondContact O-N 2.81Å; C213-C216 VanDerWaalsContact O-N 3.14Å; C213-M217 WeakPolarHBondContact O-CB 3.34Å; C213-M217 VanDerWaalsContact O-CG 3.25Å; C213-M217 WeakPolarHBondContact O-CG 3.22Å; C213-M217 PolarHBondContact O-N 3.49Å; C213-M217 PolarHBondContact SG-SD 3.35Å; C213-C254 VanDerWaalsContact CA-SG 3.51Å; C213-C254 HydrophobicContact CB-CB 4.03Å; C213-C254 WeakPolarHBondContact CB-SG 3.45Å; C213-C254 VanDerWaalsContact SG-CA 3.54Å; C213-C254 WeakPolarHBondContact SG-CB 3.33Å; C213-C254 CovalentContact SG-SG 2.02Å; C213-C254 PolarHBondContact SG-SG 2.88Å; C213-V432 HydrophobicContact CB-CG1 3.98Å
214	S	88.2	Confident	84.4	Confident	27 Å²	27	31.8 Å²	31.8	19%	0.189	17%	0.172	C	C	.	.	H	α-helix	trans	-56.2	-42	177.9	-57.4	0	0	0	0	112.2	P209 S210 S212 R218	P209-S214 WeakPolarHBondContact CG-OG 3.31Å; S210-S214 WeakPolarHBondContact O-CB 3.41Å; S210-S214 PolarHBondContact O-N 3.09Å; S210-S214 PolarHBondContact O-OG 3.37Å; S212-S214 PolarHBondContact O-N 3.46Å; S214-R218 WeakPolarHBondContact O-CB 3.4Å; S214-R218 PolarHBondContact O-N 3.5Å; S214-R218 VanDerWaalsContact O-N 3.1Å
215	H	86.2	Confident	83.5	Confident	91 Å²	91	34.6 Å²	34.6	42%	0.421	19%	0.192	S	C	.	.	H	α-helix	trans	-65.2	-46.7	176.9	-176.7	82.7	0	0	0	111.7	K211 S212 C213 R218 D219	K211-H215 WeakPolarHBondContact O-CB 3.44Å; K211-H215 PolarHBondContact O-N 3.32Å; K211-H215 VanDerWaalsContact O-N 3.08Å; S212-H215 PolarHBondContact O-N 3.47Å; C213-H215 VanDerWaalsContact C-N 3.27Å; C213-H215 PolarHBondContact O-N 3.43Å; H215-R218 PolarHBondContact CE1-NH2 3.3Å; H215-R218 PolarHBondContact ND1-NH2 3.02Å; H215-R218 VanDerWaalsContact ND1-NH2 3.18Å; H215-R218 WeakPolarHBondContact O-CB 3.46Å; H215-R218 PolarHBondContact O-N 3.41Å; H215-D219 IonicContact CD2-OD2 3.98Å; H215-D219 IonicContact CE1-OD2 3.41Å; H215-D219 IonicContact NE2-OD2 2.8Å; H215-D219 PolarHBondContact NE2-OD2 3.33Å; H215-D219 VanDerWaalsContact O-CG 3.3Å; H215-D219 PolarHBondContact O-N 3.17Å
216	C	89.5	Confident	82.4	Confident	8 Å²	8	37.9 Å²	37.9	5%	0.054	21%	0.21	C	C	.	.	H	α-helix	trans	-66.3	-38.7	178.4	-61.6	0	0	0	0	112.7	S212 C213 R218 D219 L220 V250 E431 V432	S212-C216 PolarHBondContact O-N 3Å; S212-C216 PolarHBondContact O-SG 2.92Å; C213-C216 PolarHBondContact O-N 2.81Å; C213-C216 VanDerWaalsContact O-N 3.14Å; C216-R218 VanDerWaalsContact C-N 3.32Å; C216-R218 PolarHBondContact O-N 3.41Å; C216-D219 PolarHBondContact O-N 3.19Å; C216-L220 VanDerWaalsContact O-CB 3.23Å; C216-L220 WeakPolarHBondContact O-CB 3.24Å; C216-L220 PolarHBondContact O-N 3.24Å; C216-V250 HydrophobicContact CB-CG1 3.79Å; C216-V250 HydrophobicContact CB-CG2 4.02Å; C216-E431 PolarHBondContact SG-O 3.05Å; C216-V432 HydrophobicContact CB-CG2 4.04Å
217	M	86.5	Confident	81.2	Confident	2 Å²	2	37.5 Å²	37.5	1%	0.01	21%	0.208	C	C	.	.	H	α-helix	trans	-63.5	-39	175.7	-70.1	173.7	76.6	0	0	111.9	Y52 M55 I59 P209 C213 S221 V250	Y52-M217 HydrophobicContact CD1-CB 3.99Å; Y52-M217 HydrophobicContact CE1-CB 4.42Å; M55-M217 HydrophobicContact CB-CE 4.24Å; M55-M217 HydrophobicContact CE-CE 3.35Å; M55-M217 HydrophobicContact CG-CE 3.93Å; M55-M217 HydrophobicContact SD-CE 3.33Å; M55-M217 WeakPolarHBondContact SD-CE 3.44Å; I59-M217 HydrophobicContact CD1-CE 4.49Å; P209-M217 HydrophobicContact CB-SD 4.25Å; P209-M217 HydrophobicContact CG-SD 4.29Å; C213-M217 WeakPolarHBondContact O-CB 3.34Å; C213-M217 VanDerWaalsContact O-CG 3.25Å; C213-M217 WeakPolarHBondContact O-CG 3.22Å; C213-M217 PolarHBondContact O-N 3.49Å; C213-M217 PolarHBondContact SG-SD 3.35Å; M217-S221 WeakPolarHBondContact O-CB 3.17Å; M217-S221 PolarHBondContact O-N 3.22Å; M217-S221 VanDerWaalsContact O-N 3.11Å; M217-S221 PolarHBondContact O-OG 3.39Å; M217-V250 HydrophobicContact CG-CG1 4.28Å
218	R	80.9	Confident	80	Confident	57 Å²	57	40.1 Å²	40.1	22%	0.215	22%	0.215	C	C	.	.	H	α-helix	trans	-60.1	-53.2	172.8	177.4	-173	79.9	158.7	11.3	111.1	Y52 S214 H215 C216 L220 S221 L222 L227	Y52-R218 HydrophobicContact CE1-CB 3.6Å; Y52-R218 HydrophobicContact CE1-CG 4.42Å; Y52-R218 VanDerWaalsContact OH-CB 3.24Å; Y52-R218 WeakPolarHBondContact OH-CB 3.49Å; Y52-R218 WeakPolarHBondContact OH-CG 3.3Å; S214-R218 WeakPolarHBondContact O-CB 3.4Å; S214-R218 PolarHBondContact O-N 3.5Å; S214-R218 VanDerWaalsContact O-N 3.1Å; H215-R218 PolarHBondContact CE1-NH2 3.3Å; H215-R218 PolarHBondContact ND1-NH2 3.02Å; H215-R218 VanDerWaalsContact ND1-NH2 3.18Å; H215-R218 WeakPolarHBondContact O-CB 3.46Å; H215-R218 PolarHBondContact O-N 3.41Å; C216-R218 VanDerWaalsContact C-N 3.32Å; C216-R218 PolarHBondContact O-N 3.41Å; R218-L220 VanDerWaalsContact C-N 3.28Å; R218-L220 PolarHBondContact O-N 3.47Å; R218-S221 PolarHBondContact O-N 2.9Å; R218-S221 VanDerWaalsContact O-N 3.1Å; R218-S221 PolarHBondContact O-OG 2.87Å; R218-L222 HydrophobicContact CG-CD1 4.01Å; R218-L222 PolarHBondContact O-N 3.45Å; R218-L227 HydrophobicContact CG-CD1 4.2Å
219	D	82.8	Confident	78.7	Confident	12 Å²	12	47 Å²	47	6%	0.064	24%	0.243	C	C	.	.	H	α-helix	trans	-65.5	-35.8	-176	-65.6	4.7	0	0	0	111	H215 C216 S221 G223 W406	H215-D219 IonicContact CD2-OD2 3.98Å; H215-D219 IonicContact CE1-OD2 3.41Å; H215-D219 IonicContact NE2-OD2 2.8Å; H215-D219 PolarHBondContact NE2-OD2 3.33Å; H215-D219 VanDerWaalsContact O-CG 3.3Å; H215-D219 PolarHBondContact O-N 3.17Å; C216-D219 PolarHBondContact O-N 3.19Å; D219-S221 VanDerWaalsContact C-N 3.35Å; D219-S221 PolarHBondContact O-N 3.45Å; D219-G223 WeakPolarHBondContact O-CA 3.49Å; D219-G223 PolarHBondContact O-N 3.21Å; D219-W406 PolarHBondContact O-NE1 3.29Å
220	L	84	Confident	77.2	Confident	2 Å²	2	48.6 Å²	48.6	1%	0.01	25%	0.254	C	S	.	.	H	α-helix	trans	-57.1	-45	170.8	-176.8	72.9	0	0	0	112.2	L38 C216 R218 S240 P242 Y246 C247 V250 F251	L38-L220 HydrophobicContact CD2-CD2 4.17Å; C216-L220 VanDerWaalsContact O-CB 3.23Å; C216-L220 WeakPolarHBondContact O-CB 3.24Å; C216-L220 PolarHBondContact O-N 3.24Å; R218-L220 VanDerWaalsContact C-N 3.28Å; R218-L220 PolarHBondContact O-N 3.47Å; L220-S240 PolarHBondContact O-OG 3Å; L220-P242 HydrophobicContact CD1-CB 3.43Å; L220-P242 VanDerWaalsContact CD1-CB 3.43Å; L220-P242 HydrophobicContact CD1-CG 3.81Å; L220-P242 HydrophobicContact CG-CB 4.41Å; L220-P242 HydrophobicContact CG-CG 4.43Å; L220-Y246 HydrophobicContact CB-CE1 4.24Å; L220-Y246 HydrophobicContact CD1-CD1 3.67Å; L220-Y246 HydrophobicContact CD1-CE1 3.62Å; L220-C247 HydrophobicContact CD1-CB 3.89Å; L220-V250 HydrophobicContact CD2-CB 4.4Å; L220-V250 HydrophobicContact CD2-CG1 4.17Å; L220-F251 HydrophobicContact CD2-CD2 4.33Å; L220-F251 HydrophobicContact CD2-CE2 3.68Å; L220-F251 HydrophobicContact CD2-CZ 4.02Å
221	S	75.1	Confident	75.6	Confident	4 Å²	4	49.1 Å²	49.1	3%	0.028	25%	0.253	C	S	.	.	H	α-helix	trans	-75.4	-41	-175.3	73.2	0	0	0	0	114.1	L42 M217 R218 D219	L42-S221 WeakPolarHBondContact CD1-OG 3.17Å; M217-S221 WeakPolarHBondContact O-CB 3.17Å; M217-S221 PolarHBondContact O-N 3.22Å; M217-S221 VanDerWaalsContact O-N 3.11Å; M217-S221 PolarHBondContact O-OG 3.39Å; R218-S221 PolarHBondContact O-N 2.9Å; R218-S221 VanDerWaalsContact O-N 3.1Å; R218-S221 PolarHBondContact O-OG 2.87Å; D219-S221 VanDerWaalsContact C-N 3.35Å; D219-S221 PolarHBondContact O-N 3.45Å
222	L	71.4	Confident	73.9	Confident	27 Å²	27	44.1 Å²	44.1	14%	0.141	24%	0.239	C	C	.	.	H	α-helix	trans	-87.9	-24.4	-175.3	-60.9	-177.6	0	0	0	112.3	R218 C224 L227 F231	R218-L222 HydrophobicContact CG-CD1 4.01Å; R218-L222 PolarHBondContact O-N 3.45Å; L222-C224 VanDerWaalsContact C-N 3.31Å; L222-C224 HydrophobicContact CB-CB 4.28Å; L222-L227 HydrophobicContact CD1-CD1 4.14Å; L222-L227 HydrophobicContact CD1-CG 4.33Å; L222-F231 HydrophobicContact CD1-CE2 3.7Å; L222-F231 HydrophobicContact CD1-CZ 3.64Å; L222-F231 HydrophobicContact CD2-CE1 4.18Å; L222-F231 HydrophobicContact CD2-CE2 4.4Å; L222-F231 HydrophobicContact CD2-CZ 3.49Å; L222-F231 VanDerWaalsContact CD2-CZ 3.49Å; L222-F231 HydrophobicContact CG-CZ 4.17Å
223	G	72.6	Confident	72.1	Confident	5 Å²	5	50 Å²	50	5%	0.052	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	59.7	42.1	-170.7	0	0	0	0	0	113.2	D219 S240 W406	D219-G223 WeakPolarHBondContact O-CA 3.49Å; D219-G223 PolarHBondContact O-N 3.21Å; G223-S240 WeakPolarHBondContact CA-OG 3.46Å; G223-S240 PolarHBondContact N-OG 2.95Å; G223-W406 VanDerWaalsContact C-CD2 3.44Å; G223-W406 VanDerWaalsContact C-CZ2 3.49Å; G223-W406 VanDerWaalsContact CA-CE2 3.45Å; G223-W406 VanDerWaalsContact CA-CG 3.45Å; G223-W406 VanDerWaalsContact O-CE3 3.24Å; G223-W406 VanDerWaalsContact O-CZ3 3.24Å; G223-W406 WeakPolarHBondContact O-CZ3 3.3Å
224	C	67.5	Low	70.1	Confident	9 Å²	9	57.8 Å²	57.8	6%	0.061	31%	0.309	C	S	.	.			trans	-152.5	123.7	-172.6	-171.9	0	0	0	0	112.9	L222 N226 C230 W406	L222-C224 VanDerWaalsContact C-N 3.31Å; L222-C224 HydrophobicContact CB-CB 4.28Å; C224-N226 PolarHBondContact SG-O 2.89Å; C224-C230 HydrophobicContact CB-CB 3.51Å; C224-C230 WeakPolarHBondContact CB-SG 3.44Å; C224-C230 WeakPolarHBondContact SG-CB 3.37Å; C224-C230 CovalentContact SG-SG 1.98Å; C224-C230 PolarHBondContact SG-SG 3.48Å; C224-W406 VanDerWaalsContact N-CZ2 3.34Å
225	S	66.4	Low	68.2	Low	64 Å²	64	60.5 Å²	60.5	45%	0.448	32%	0.324	S	S	.	.	S	Bend	trans	-75.4	-24.8	177.5	-45.7	0	0	0	0	113	W406 G408	S225-W406 WeakPolarHBondContact OG-CH2 3.36Å; S225-G408 PolarHBondContact OG-O 2.98Å
226	N	67.3	Low	66.7	Low	70 Å²	70	65.4 Å²	65.4	37%	0.374	34%	0.344	S	S	.	.			trans	-122.3	105.4	-178.1	-171.6	-24.1	0	0	0	111.8	C224 D228 K229 C230	C224-N226 PolarHBondContact SG-O 2.89Å; N226-D228 VanDerWaalsContact C-N 3.28Å; N226-D228 PolarHBondContact O-N 3.46Å; N226-D228 PolarHBondContact OD1-N 3Å; N226-D228 VanDerWaalsContact OD1-N 3.15Å; N226-K229 HydrophobicContact CB-CB 4.5Å; N226-K229 HydrophobicContact CB-CD 4.34Å; N226-K229 HydrophobicContact CB-CG 4.36Å; N226-K229 PolarHBondContact O-N 3.32Å; N226-K229 VanDerWaalsContact O-N 3.14Å; N226-C230 PolarHBondContact O-N 3.24Å
227	L	62.9	Low	65	Low	53 Å²	53	69.2 Å²	69.2	28%	0.277	36%	0.361	S	S	.	.	H	α-helix	trans	-54.9	-41.3	-176.3	-119.4	104	0	0	0	113.5	R218 L222 K229 C230 F231	R218-L227 HydrophobicContact CG-CD1 4.2Å; L222-L227 HydrophobicContact CD1-CD1 4.14Å; L222-L227 HydrophobicContact CD1-CG 4.33Å; L227-K229 PolarHBondContact O-N 2.67Å; L227-C230 PolarHBondContact O-N 2.97Å; L227-F231 HydrophobicContact CD2-CD2 4.23Å; L227-F231 HydrophobicContact CD2-CE2 3.86Å; L227-F231 HydrophobicContact CG-CD2 4.3Å; L227-F231 HydrophobicContact CG-CE2 3.92Å; L227-F231 WeakPolarHBondContact O-CD2 3.38Å
228	D	62	Low	63.9	Low	138 Å²	138	75.5 Å²	75.5	74%	0.738	39%	0.393	S	S	*	.	H	α-helix	trans	-63.9	-29.8	-175	-58.2	-28.9	0	0	0	111.4	N226	N226-D228 VanDerWaalsContact C-N 3.28Å; N226-D228 PolarHBondContact O-N 3.46Å; N226-D228 PolarHBondContact OD1-N 3Å; N226-D228 VanDerWaalsContact OD1-N 3.15Å
229	K	58.9	Low	63.3	Low	154 Å²	154	74.6 Å²	74.6	67%	0.67	40%	0.396	S	S	*	.	H	α-helix	trans	-83.6	-27.6	-179.6	-65.8	-172.8	177.7	-175.6	0	113.5	N226 L227	N226-K229 HydrophobicContact CB-CB 4.5Å; N226-K229 HydrophobicContact CB-CD 4.34Å; N226-K229 HydrophobicContact CB-CG 4.36Å; N226-K229 PolarHBondContact O-N 3.32Å; N226-K229 VanDerWaalsContact O-N 3.14Å; L227-K229 PolarHBondContact O-N 2.67Å
230	C	58.6	Low	62.7	Low	51 Å²	51	74.8 Å²	74.8	35%	0.345	40%	0.398	S	S	.	.	H	α-helix	trans	-89.4	-4.6	-172.2	-77.1	0	0	0	0	114.9	C224 N226 L227	C224-C230 HydrophobicContact CB-CB 3.51Å; C224-C230 WeakPolarHBondContact CB-SG 3.44Å; C224-C230 WeakPolarHBondContact SG-CB 3.37Å; C224-C230 CovalentContact SG-SG 1.98Å; C224-C230 PolarHBondContact SG-SG 3.48Å; N226-C230 PolarHBondContact O-N 3.24Å; L227-C230 PolarHBondContact O-N 2.97Å
231	F	55.2	Low	62.5	Low	33 Å²	33	82.1 Å²	82.1	15%	0.145	43%	0.43	C	S	.	.	T	Hydrogen-bonded Turn	trans	-127.5	29.5	177.6	-59.6	-70.4	0	0	0	113.3	R46 L222 L227 D233	R46-F231 HydrophobicContact CG-CZ 4.46Å; R46-F231 VanDerWaalsContact CZ-CG 3.48Å; L222-F231 HydrophobicContact CD1-CE2 3.7Å; L222-F231 HydrophobicContact CD1-CZ 3.64Å; L222-F231 HydrophobicContact CD2-CE1 4.18Å; L222-F231 HydrophobicContact CD2-CE2 4.4Å; L222-F231 HydrophobicContact CD2-CZ 3.49Å; L222-F231 VanDerWaalsContact CD2-CZ 3.49Å; L222-F231 HydrophobicContact CG-CZ 4.17Å; L227-F231 HydrophobicContact CD2-CD2 4.23Å; L227-F231 HydrophobicContact CD2-CE2 3.86Å; L227-F231 HydrophobicContact CG-CD2 4.3Å; L227-F231 HydrophobicContact CG-CE2 3.92Å; L227-F231 WeakPolarHBondContact O-CD2 3.38Å; F231-D233 PolarHBondContact O-N 3.42Å
232	T	52.4	Low	63	Low	84 Å²	84	82.3 Å²	82.3	52%	0.515	43%	0.431	S	S	.	.			trans	-59.2	138.3	173.6	51.2	0	0	0	0	110.7	D234 T235	T232-D234 VanDerWaalsContact C-N 3.3Å; T232-D234 PolarHBondContact O-N 2.8Å; T232-T235 PolarHBondContact O-N 3.01Å; T232-T235 PolarHBondContact O-OG1 3.06Å
233	D	52.4	Low	63.9	Low	159 Å²	159	81 Å²	81	85%	0.85	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.2	5.9	-142.4	-75.4	-41.9	0	0	0	122.3	F231	F231-D233 PolarHBondContact O-N 3.42Å
234	D	51.2	Low	64.7	Low	164 Å²	164	82.2 Å²	82.2	88%	0.877	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-144.1	6.5	179.8	-88.7	-42.4	0	0	0	115.6	T232 K236	T232-D234 VanDerWaalsContact C-N 3.3Å; T232-D234 PolarHBondContact O-N 2.8Å; D234-K236 PolarHBondContact O-N 2.68Å
235	T	49	Very low	65.9	Low	84 Å²	84	83 Å²	83	52%	0.515	44%	0.435	S	S	.	.			trans	-86.6	113.1	-179	53.9	0	0	0	0	111.2	T232 Q237	T232-T235 PolarHBondContact O-N 3.01Å; T232-T235 PolarHBondContact O-OG1 3.06Å; T235-Q237 PolarHBondContact O-N 2.99Å
236	K	53.4	Low	67.2	Low	193 Å²	193	80.1 Å²	80.1	84%	0.839	41%	0.414	S	S	*	.			trans	-42.6	119.1	164.5	-73	177.4	-179.6	174.7	0	108.1	D234 I238	D234-K236 PolarHBondContact O-N 2.68Å; K236-I238 WeakPolarHBondContact O-CG1 3.26Å; K236-I238 PolarHBondContact O-N 3.11Å
237	Q	54.6	Low	68.3	Low	88 Å²	88	76.9 Å²	76.9	41%	0.411	40%	0.397	S	S	.	.			trans	-31.9	109.3	176.2	172.3	153.1	70.2	0	0	113.5	S43 T235 C239	S43-Q237 PolarHBondContact OG-OE1 3.37Å; T235-Q237 PolarHBondContact O-N 2.99Å; Q237-C239 PolarHBondContact O-N 2.88Å
238	I	62.9	Low	69.8	Low	134 Å²	134	75.1 Å²	75.1	69%	0.687	39%	0.388	S	S	*	.			trans	-96.6	98.9	177.5	-50.3	-178.4	0	0	0	107.2	K236 S240	K236-I238 WeakPolarHBondContact O-CG1 3.26Å; K236-I238 PolarHBondContact O-N 3.11Å; I238-S240 PolarHBondContact O-N 3.17Å
239	C	68.8	Low	71.4	Confident	39 Å²	39	68.6 Å²	68.6	26%	0.264	35%	0.353	S	S	.	.			trans	-58.5	123	164.2	-60.4	0	0	0	0	108.7	C39 Q237	C39-C239 HydrophobicContact CB-CB 3.49Å; C39-C239 VanDerWaalsContact CB-CB 3.49Å; C39-C239 WeakPolarHBondContact CB-SG 3.27Å; C39-C239 WeakPolarHBondContact SG-CA 3.39Å; C39-C239 WeakPolarHBondContact SG-CB 3.36Å; C39-C239 CovalentContact SG-SG 2.01Å; C39-C239 PolarHBondContact SG-SG 3.28Å; Q237-C239 PolarHBondContact O-N 2.88Å
240	S	70.2	Confident	73.1	Confident	16 Å²	16	61.2 Å²	61.2	11%	0.112	32%	0.321	C	S	.	.			trans	-72.7	157.7	176.6	87	0	0	0	0	110.9	L220 G223 I238 P242	L220-S240 PolarHBondContact O-OG 3Å; G223-S240 WeakPolarHBondContact CA-OG 3.46Å; G223-S240 PolarHBondContact N-OG 2.95Å; I238-S240 PolarHBondContact O-N 3.17Å; S240-P242 VanDerWaalsContact O-CD 3.25Å; S240-P242 WeakPolarHBondContact O-CD 3.14Å
241	K	79.6	Confident	74.8	Confident	156 Å²	156	58.9 Å²	58.9	68%	0.678	31%	0.305	S	S	*	.			trans	-98.1	98.4	167.8	-68.2	-177.2	-179.2	178.1	0	107.5	C405 W406	K241-C405 CarbonylContact O-C 3.37Å; K241-C405 WeakPolarHBondContact O-CA 3.26Å; K241-C405 VanDerWaalsContact O-CB 3.32Å; K241-C405 WeakPolarHBondContact O-CB 3.42Å; K241-W406 PolarHBondContact O-N 3.4Å
242	P	85.6	Confident	76.8	Confident	8 Å²	8	59.3 Å²	59.3	5%	0.052	31%	0.305	C	S	.	.	B	Isolated β-bridge	trans	-68.4	150.6	178.5	29.9	-35.3	0	0	0	111	L220 S240 Y246 W406	L220-P242 HydrophobicContact CD1-CB 3.43Å; L220-P242 VanDerWaalsContact CD1-CB 3.43Å; L220-P242 HydrophobicContact CD1-CG 3.81Å; L220-P242 HydrophobicContact CG-CB 4.41Å; L220-P242 HydrophobicContact CG-CG 4.43Å; S240-P242 VanDerWaalsContact O-CD 3.25Å; S240-P242 WeakPolarHBondContact O-CD 3.14Å; P242-Y246 HydrophobicContact CB-CD1 4.15Å; P242-W406 WeakPolarHBondContact CA-O 3.14Å
243	C	89.8	Confident	78.8	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	28%	0.281	C	S	.	.			trans	-62.6	145	168.1	-56	0	0	0	0	109.5	S245 Y246 C247 C405 W406 D412	C243-S245 PolarHBondContact O-N 3.34Å; C243-Y246 PolarHBondContact O-N 3.38Å; C243-C247 WeakPolarHBondContact O-CB 3.23Å; C243-C247 PolarHBondContact O-N 2.89Å; C243-C405 WeakPolarHBondContact CA-SG 3.41Å; C243-C405 HydrophobicContact CB-CB 4.04Å; C243-C405 WeakPolarHBondContact CB-SG 3.44Å; C243-C405 WeakPolarHBondContact SG-CB 3.05Å; C243-C405 PolarHBondContact SG-O 2.99Å; C243-C405 CovalentContact SG-SG 2.03Å; C243-C405 PolarHBondContact SG-SG 3.49Å; C243-W406 PolarHBondContact N-O 3.18Å; C243-W406 PolarHBondContact SG-O 2.86Å; C243-W406 VanDerWaalsContact SG-O 3.39Å; C243-D412 PolarHBondContact SG-O 2.85Å
244	N	90.4	Very high	80.8	Confident	30 Å²	30	48.1 Å²	48.1	16%	0.16	24%	0.243	C	C	.	.	H	α-helix	trans	-60	-52	-177.9	-179.6	35.8	0	0	0	110.3	Y246 C247 I248 C397 S398 D401	N244-Y246 VanDerWaalsContact C-N 3.28Å; N244-Y246 PolarHBondContact O-N 3.48Å; N244-C247 WeakPolarHBondContact O-CB 3.44Å; N244-C247 PolarHBondContact O-N 3.36Å; N244-C247 VanDerWaalsContact O-N 3.08Å; N244-I248 VanDerWaalsContact O-CG1 3.32Å; N244-I248 WeakPolarHBondContact O-CG1 3.31Å; N244-I248 PolarHBondContact O-N 2.85Å; N244-I248 WeakPolarHBondContact OD1-CD1 3.35Å; N244-C397 WeakPolarHBondContact OD1-CB 3.48Å; N244-S398 WeakPolarHBondContact CB-O 3.44Å; N244-S398 PolarHBondContact OD1-O 3.38Å; N244-D401 WeakPolarHBondContact CA-OD1 3.45Å; N244-D401 WeakPolarHBondContact CB-OD1 3.35Å; N244-D401 PolarHBondContact N-OD1 3.47Å
245	S	92.7	Very high	82.8	Confident	26 Å²	26	40.4 Å²	40.4	18%	0.182	20%	0.202	C	C	.	.	H	α-helix	trans	-60.7	-35.5	-178.9	-67.7	0	0	0	0	113	C243 N249 D401 Y414	C243-S245 PolarHBondContact O-N 3.34Å; S245-N249 PolarHBondContact O-N 2.98Å; S245-N249 VanDerWaalsContact O-N 3.11Å; S245-D401 PolarHBondContact N-OD1 2.94Å; S245-D401 PolarHBondContact OG-OD2 3.31Å; S245-Y414 VanDerWaalsContact CB-CD1 3.42Å
246	Y	92.5	Very high	84.9	Confident	3 Å²	3	36.4 Å²	36.4	1%	0.012	18%	0.177	C	C	.	.	H	α-helix	trans	-65.2	-49.1	172.7	175.3	-121.6	0	0	0	111.5	L220 P242 C243 N244 I248 N249 V250 W406 G408 Y414 E431	L220-Y246 HydrophobicContact CB-CE1 4.24Å; L220-Y246 HydrophobicContact CD1-CD1 3.67Å; L220-Y246 HydrophobicContact CD1-CE1 3.62Å; P242-Y246 HydrophobicContact CB-CD1 4.15Å; C243-Y246 PolarHBondContact O-N 3.38Å; N244-Y246 VanDerWaalsContact C-N 3.28Å; N244-Y246 PolarHBondContact O-N 3.48Å; Y246-I248 VanDerWaalsContact C-N 3.33Å; Y246-I248 PolarHBondContact O-N 3.38Å; Y246-N249 PolarHBondContact O-N 3.39Å; Y246-V250 HydrophobicContact CD2-CG2 4.2Å; Y246-V250 HydrophobicContact CE1-CG2 4.4Å; Y246-V250 HydrophobicContact CE2-CG2 3.76Å; Y246-V250 WeakPolarHBondContact O-CG2 3.41Å; Y246-V250 PolarHBondContact O-N 3.33Å; Y246-W406 WeakPolarHBondContact CD1-O 3.3Å; Y246-W406 AromaticContact CE1-CD1 3.54Å; Y246-W406 AromaticContact CE1-NE1 3.66Å; Y246-G408 WeakPolarHBondContact OH-CA 3.43Å; Y246-Y414 HydrophobicContact CD2-CD2 4.27Å; Y246-Y414 AromaticContact CD2-CE2 3.71Å; Y246-Y414 HydrophobicContact CD2-CE2 3.71Å; Y246-Y414 HydrophobicContact CG-CD2 4.3Å; Y246-Y414 HydrophobicContact CG-CE2 4.15Å; Y246-E431 HydrophobicContact CD2-CG 3.98Å; Y246-E431 HydrophobicContact CE2-CG 3.97Å; Y246-E431 WeakPolarHBondContact CE2-OE2 3.32Å
247	C	91.7	Very high	86.6	Confident	1 Å²	1	27.8 Å²	27.8	1%	0.007	14%	0.141	C	C	.	.	H	α-helix	trans	-56.2	-47.2	177.2	177	0	0	0	0	112	L220 C243 N244 N249 V250 F251 C397	L220-C247 HydrophobicContact CD1-CB 3.89Å; C243-C247 WeakPolarHBondContact O-CB 3.23Å; C243-C247 PolarHBondContact O-N 2.89Å; N244-C247 WeakPolarHBondContact O-CB 3.44Å; N244-C247 PolarHBondContact O-N 3.36Å; N244-C247 VanDerWaalsContact O-N 3.08Å; C247-N249 PolarHBondContact O-N 2.91Å; C247-V250 PolarHBondContact O-N 3.44Å; C247-F251 WeakPolarHBondContact O-CD2 3.36Å; C247-F251 PolarHBondContact O-N 3.17Å; C247-F251 VanDerWaalsContact SG-CE2 3.54Å; C247-C397 HydrophobicContact CB-CB 3.74Å; C247-C397 WeakPolarHBondContact CB-SG 3.36Å; C247-C397 WeakPolarHBondContact SG-CA 2.98Å; C247-C397 WeakPolarHBondContact SG-CB 3.31Å; C247-C397 CovalentContact SG-SG 2.05Å; C247-C397 PolarHBondContact SG-SG 2.98Å
248	I	94.2	Very high	88.2	Confident	17 Å²	17	23.9 Å²	23.9	9%	0.087	12%	0.123	C	C	.	.	H	α-helix	trans	-58.1	-48.3	177.6	-67.7	170.5	0	0	0	110.3	N244 Y246 V250 F251 R252 E393 C397 V418	N244-I248 VanDerWaalsContact O-CG1 3.32Å; N244-I248 WeakPolarHBondContact O-CG1 3.31Å; N244-I248 PolarHBondContact O-N 2.85Å; N244-I248 WeakPolarHBondContact OD1-CD1 3.35Å; Y246-I248 VanDerWaalsContact C-N 3.33Å; Y246-I248 PolarHBondContact O-N 3.38Å; I248-V250 VanDerWaalsContact C-N 3.33Å; I248-V250 PolarHBondContact O-N 3Å; I248-F251 PolarHBondContact O-N 3.31Å; I248-R252 HydrophobicContact CG2-CG 4.06Å; I248-R252 VanDerWaalsContact O-CB 3.31Å; I248-R252 WeakPolarHBondContact O-CB 3.45Å; I248-R252 VanDerWaalsContact O-CG 3.3Å; I248-R252 WeakPolarHBondContact O-CG 3.46Å; I248-R252 PolarHBondContact O-N 2.67Å; I248-E393 HydrophobicContact CG1-CB 4.39Å; I248-E393 HydrophobicContact CG1-CG 4.04Å; I248-E393 HydrophobicContact CG2-CG 4.24Å; I248-C397 HydrophobicContact CG1-CB 4.27Å; I248-C397 PolarHBondContact N-SG 2.98Å; I248-V418 HydrophobicContact CB-CG1 4.37Å; I248-V418 HydrophobicContact CG2-CG1 3.59Å
249	N	95.6	Very high	89.5	Confident	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-62.3	-38.9	-180	-87.2	-21.5	0	0	0	113	S245 Y246 C247 G253 Y414 E417 V418 P419 N429 P430 E431	S245-N249 PolarHBondContact O-N 2.98Å; S245-N249 VanDerWaalsContact O-N 3.11Å; Y246-N249 PolarHBondContact O-N 3.39Å; C247-N249 PolarHBondContact O-N 2.91Å; N249-G253 PolarHBondContact O-N 3.23Å; N249-Y414 PolarHBondContact ND2-OH 2.88Å; N249-E417 PolarHBondContact ND2-O 3.37Å; N249-V418 WeakPolarHBondContact OD1-CA 3.49Å; N249-P419 WeakPolarHBondContact OD1-CD 3.44Å; N249-N429 PolarHBondContact O-ND2 3.49Å; N249-P430 WeakPolarHBondContact ND2-CG 3.47Å; N249-E431 HydrophobicContact CB-CB 4.46Å; N249-E431 HydrophobicContact CB-CG 3.72Å
250	V	94.7	Very high	90.3	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-63.1	-52.1	175.2	174.8	0	0	0	0	110.8	C216 M217 L220 Y246 C247 I248 G253 C254 E431	C216-V250 HydrophobicContact CB-CG1 3.79Å; C216-V250 HydrophobicContact CB-CG2 4.02Å; M217-V250 HydrophobicContact CG-CG1 4.28Å; L220-V250 HydrophobicContact CD2-CB 4.4Å; L220-V250 HydrophobicContact CD2-CG1 4.17Å; Y246-V250 HydrophobicContact CD2-CG2 4.2Å; Y246-V250 HydrophobicContact CE1-CG2 4.4Å; Y246-V250 HydrophobicContact CE2-CG2 3.76Å; Y246-V250 WeakPolarHBondContact O-CG2 3.41Å; Y246-V250 PolarHBondContact O-N 3.33Å; C247-V250 PolarHBondContact O-N 3.44Å; I248-V250 VanDerWaalsContact C-N 3.33Å; I248-V250 PolarHBondContact O-N 3Å; V250-G253 PolarHBondContact O-N 3.2Å; V250-C254 VanDerWaalsContact O-CB 3.3Å; V250-C254 WeakPolarHBondContact O-CB 3.4Å; V250-C254 PolarHBondContact O-N 3.47Å; V250-C254 PolarHBondContact O-SG 3.13Å; V250-E431 HydrophobicContact CG2-CB 4.13Å; V250-E431 HydrophobicContact CG2-CG 4.32Å
251	F	94.5	Very high	90.6	Very high	2 Å²	2	16.1 Å²	16.1	1%	0.009	8%	0.078	C	C	.	.	H	α-helix	trans	-66.7	-42.1	-177.3	-79.3	-64.3	0	0	0	113.3	L38 M55 I59 L220 C247 I248 G253 C254 L255 M389 I392 Y396	L38-F251 HydrophobicContact CD2-CE2 4.4Å; L38-F251 HydrophobicContact CD2-CZ 4.02Å; M55-F251 HydrophobicContact CE-CE1 3.66Å; M55-F251 HydrophobicContact CE-CZ 3.75Å; I59-F251 HydrophobicContact CD1-CD1 4.14Å; I59-F251 HydrophobicContact CD1-CE1 3.46Å; I59-F251 VanDerWaalsContact CD1-CE1 3.46Å; I59-F251 HydrophobicContact CD1-CZ 4.38Å; L220-F251 HydrophobicContact CD2-CD2 4.33Å; L220-F251 HydrophobicContact CD2-CE2 3.68Å; L220-F251 HydrophobicContact CD2-CZ 4.02Å; C247-F251 WeakPolarHBondContact O-CD2 3.36Å; C247-F251 PolarHBondContact O-N 3.17Å; C247-F251 VanDerWaalsContact SG-CE2 3.54Å; I248-F251 PolarHBondContact O-N 3.31Å; F251-G253 VanDerWaalsContact C-N 3.35Å; F251-G253 PolarHBondContact O-N 3.27Å; F251-C254 PolarHBondContact O-N 3.49Å; F251-L255 WeakPolarHBondContact O-CB 3.2Å; F251-L255 WeakPolarHBondContact O-CG 3.39Å; F251-L255 PolarHBondContact O-N 3.23Å; F251-M389 HydrophobicContact CB-CE 3.85Å; F251-I392 HydrophobicContact CB-CG2 4.36Å; F251-I392 HydrophobicContact CD1-CG2 4.38Å; F251-I392 HydrophobicContact CG-CG2 4.35Å; F251-Y396 VanDerWaalsContact CE2-CB 3.46Å; F251-Y396 HydrophobicContact CE2-CG 4.28Å; F251-Y396 HydrophobicContact CZ-CD1 4.19Å; F251-Y396 HydrophobicContact CZ-CG 4Å
252	R	95.8	Very high	90.4	Very high	41 Å²	41	8.7 Å²	8.7	16%	0.155	5%	0.046	C	C	.	.	H	α-helix	trans	-57.7	-48.5	174.5	-75.4	-173	177.7	177.4	7.4	111.1	I248 C254 L255 A256 M389 E393 P419 F421	I248-R252 HydrophobicContact CG2-CG 4.06Å; I248-R252 VanDerWaalsContact O-CB 3.31Å; I248-R252 WeakPolarHBondContact O-CB 3.45Å; I248-R252 VanDerWaalsContact O-CG 3.3Å; I248-R252 WeakPolarHBondContact O-CG 3.46Å; I248-R252 PolarHBondContact O-N 2.67Å; R252-C254 VanDerWaalsContact C-N 3.34Å; R252-C254 PolarHBondContact O-N 3.44Å; R252-L255 PolarHBondContact O-N 3.4Å; R252-A256 WeakPolarHBondContact O-CB 3.37Å; R252-A256 PolarHBondContact O-N 2.74Å; R252-M389 HydrophobicContact CG-CE 4Å; R252-M389 HydrophobicContact CG-CG 3.89Å; R252-M389 HydrophobicContact CG-SD 3.91Å; R252-E393 IonicContact CZ-OE1 2.68Å; R252-E393 IonicContact NE-OE1 3.9Å; R252-E393 PolarHBondContact NE-OE1 2.91Å; R252-E393 IonicContact NH2-OE1 3.11Å; R252-E393 PolarHBondContact NH2-OE1 3.16Å; R252-E393 IonicContact NH2-OE2 3.15Å; R252-E393 PolarHBondContact NH2-OE2 3.08Å; R252-P419 PolarHBondContact NH1-O 2.85Å; R252-F421 HydrophobicContact CB-CD2 3.84Å; R252-F421 HydrophobicContact CB-CE2 4.2Å; R252-F421 HydrophobicContact CG-CD2 3.77Å; R252-F421 HydrophobicContact CG-CE2 4.4Å; R252-F421 HydrophobicContact CG-CG 4.5Å; R252-F421 WeakPolarHBondContact O-CE2 3.37Å
253	G	95	Very high	89.4	Confident	0 Å²	0	9.1 Å²	9.1	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-65.9	-36.7	-179.9	0	0	0	0	0	113.2	N249 V250 F251 P257 N429	N249-G253 PolarHBondContact O-N 3.23Å; V250-G253 PolarHBondContact O-N 3.2Å; F251-G253 VanDerWaalsContact C-N 3.35Å; F251-G253 PolarHBondContact O-N 3.27Å; G253-P257 WeakPolarHBondContact O-CD 3.43Å; G253-N429 VanDerWaalsContact CA-ND2 3.34Å; G253-N429 WeakPolarHBondContact CA-ND2 3.21Å; G253-N429 PolarHBondContact N-ND2 3.35Å
254	C	94.1	Very high	88.1	Confident	8 Å²	8	13.8 Å²	13.8	5%	0.054	7%	0.069	C	C	.	.	H	α-helix	trans	-66.4	-41.8	176.1	-82.3	0	0	0	0	113.9	C213 V250 F251 R252	C213-C254 VanDerWaalsContact CA-SG 3.51Å; C213-C254 HydrophobicContact CB-CB 4.03Å; C213-C254 WeakPolarHBondContact CB-SG 3.45Å; C213-C254 VanDerWaalsContact SG-CA 3.54Å; C213-C254 WeakPolarHBondContact SG-CB 3.33Å; C213-C254 CovalentContact SG-SG 2.02Å; C213-C254 PolarHBondContact SG-SG 2.88Å; V250-C254 VanDerWaalsContact O-CB 3.3Å; V250-C254 WeakPolarHBondContact O-CB 3.4Å; V250-C254 PolarHBondContact O-N 3.47Å; V250-C254 PolarHBondContact O-SG 3.13Å; F251-C254 PolarHBondContact O-N 3.49Å; R252-C254 VanDerWaalsContact C-N 3.34Å; R252-C254 PolarHBondContact O-N 3.44Å
255	L	94.2	Very high	86.6	Confident	2 Å²	2	14 Å²	14	1%	0.01	7%	0.069	C	C	.	.	H	α-helix	trans	-90.5	-18.7	-174.9	-64.7	176.6	0	0	0	113.3	F56 I59 T60 F251 R252 F258 I259 Y388 M389 I392	F56-L255 HydrophobicContact CD2-CD2 4.48Å; F56-L255 HydrophobicContact CE2-CD2 3.95Å; I59-L255 HydrophobicContact CG2-CD1 3.89Å; I59-L255 HydrophobicContact CG2-CD2 3.88Å; I59-L255 HydrophobicContact CG2-CG 4.44Å; T60-L255 HydrophobicContact CG2-CD2 3.74Å; F251-L255 WeakPolarHBondContact O-CB 3.2Å; F251-L255 WeakPolarHBondContact O-CG 3.39Å; F251-L255 PolarHBondContact O-N 3.23Å; R252-L255 PolarHBondContact O-N 3.4Å; L255-F258 PolarHBondContact O-N 3.32Å; L255-F258 VanDerWaalsContact O-N 3.09Å; L255-I259 HydrophobicContact CB-CG1 4.36Å; L255-I259 PolarHBondContact O-N 2.82Å; L255-Y388 HydrophobicContact CD1-CE1 4.39Å; L255-M389 HydrophobicContact CD1-CE 4.23Å; L255-M389 HydrophobicContact CD1-SD 4.16Å; L255-I392 HydrophobicContact CD1-CB 4.43Å; L255-I392 HydrophobicContact CD1-CG1 4.11Å; L255-I392 HydrophobicContact CD1-CG2 3.88Å
256	A	92.1	Very high	85	Confident	0 Å²	0	12.9 Å²	12.9	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-51.6	-49	-179	0	0	0	0	0	113.4	R252 F258 I259 L260 F261 F421 Q426 I434	R252-A256 WeakPolarHBondContact O-CB 3.37Å; R252-A256 PolarHBondContact O-N 2.74Å; A256-F258 PolarHBondContact O-N 3.42Å; A256-F258 VanDerWaalsContact O-N 3.16Å; A256-I259 PolarHBondContact O-N 3.45Å; A256-L260 HydrophobicContact CB-CD1 3.95Å; A256-L260 HydrophobicContact CB-CG 4.46Å; A256-L260 WeakPolarHBondContact O-CB 3.4Å; A256-L260 PolarHBondContact O-N 3.06Å; A256-F261 HydrophobicContact CB-CE2 4.17Å; A256-F261 VanDerWaalsContact O-CD2 3.29Å; A256-F261 WeakPolarHBondContact O-CD2 3.27Å; A256-F261 PolarHBondContact O-N 2.8Å; A256-F421 HydrophobicContact CB-CE2 4.1Å; A256-Q426 HydrophobicContact CB-CB 3.68Å; A256-Q426 HydrophobicContact CB-CG 3.86Å; A256-I434 HydrophobicContact CB-CD1 3.76Å
257	P	88.8	Confident	83	Confident	13 Å²	13	16 Å²	16	8%	0.084	8%	0.077	C	C	.	.	I	π-helix	trans	-53.1	-37.5	178.2	-28.7	37.1	0	0	0	114.2	G253 F262 I434 D438 Y441	G253-P257 WeakPolarHBondContact O-CD 3.43Å; P257-F262 PolarHBondContact O-N 2.69Å; P257-I434 HydrophobicContact CG-CG2 4.47Å; P257-D438 HydrophobicContact CB-CB 4.39Å; P257-D438 HydrophobicContact CG-CB 4.19Å; P257-Y441 WeakPolarHBondContact CB-OH 3.34Å; P257-Y441 PolarHBondContact O-OH 2.86Å
258	F	89.1	Confident	80.9	Confident	6 Å²	6	24.6 Å²	24.6	3%	0.026	11%	0.111	C	C	.	.	I	π-helix	trans	-84.4	-41.9	-178.8	174.1	-116.5	0	0	0	112.5	T60 M201 I204 L205 L255 A256 F262	T60-F258 HydrophobicContact CG2-CD1 4.22Å; T60-F258 HydrophobicContact CG2-CE1 4.46Å; M201-F258 HydrophobicContact CB-CE2 4.33Å; M201-F258 HydrophobicContact CE-CE2 3.86Å; M201-F258 HydrophobicContact CE-CZ 3.59Å; M201-F258 HydrophobicContact CG-CE2 4.26Å; I204-F258 HydrophobicContact CG2-CB 4.36Å; I204-F258 HydrophobicContact CG2-CD2 3.92Å; L205-F258 HydrophobicContact CD1-CE1 4.21Å; L205-F258 HydrophobicContact CD1-CE2 4.02Å; L205-F258 HydrophobicContact CD1-CZ 3.71Å; L205-F258 HydrophobicContact CD2-CB 4.46Å; L205-F258 HydrophobicContact CD2-CD1 3.8Å; L205-F258 HydrophobicContact CD2-CD2 3.69Å; L205-F258 HydrophobicContact CD2-CE1 3.89Å; L205-F258 HydrophobicContact CD2-CE2 3.78Å; L205-F258 HydrophobicContact CD2-CG 3.71Å; L205-F258 HydrophobicContact CD2-CZ 3.88Å; L205-F258 HydrophobicContact CG-CD2 4.13Å; L205-F258 HydrophobicContact CG-CE1 4.45Å; L205-F258 HydrophobicContact CG-CE2 3.79Å; L205-F258 HydrophobicContact CG-CZ 3.97Å; L255-F258 PolarHBondContact O-N 3.32Å; L255-F258 VanDerWaalsContact O-N 3.09Å; A256-F258 PolarHBondContact O-N 3.42Å; A256-F258 VanDerWaalsContact O-N 3.16Å; F258-F262 WeakPolarHBondContact O-CB 3.43Å
259	I	89.6	Confident	79	Confident	4 Å²	4	25 Å²	25	2%	0.021	12%	0.115	C	C	.	.	I	π-helix	trans	-87.7	-38.4	-172.6	-59.9	-63.6	0	0	0	112.6	L255 A256 R382 K385 Y388 F421	L255-I259 HydrophobicContact CB-CG1 4.36Å; L255-I259 PolarHBondContact O-N 2.82Å; A256-I259 PolarHBondContact O-N 3.45Å; I259-R382 HydrophobicContact CD1-CB 4.23Å; I259-R382 HydrophobicContact CD1-CG 4.17Å; I259-K385 HydrophobicContact CG2-CB 4.04Å; I259-K385 HydrophobicContact CG2-CG 3.75Å; I259-Y388 HydrophobicContact CD1-CD1 3.76Å; I259-Y388 HydrophobicContact CD1-CE1 3.44Å; I259-Y388 VanDerWaalsContact CD1-CE1 3.44Å; I259-Y388 HydrophobicContact CG1-CD1 3.96Å; I259-Y388 HydrophobicContact CG1-CE1 3.71Å; I259-Y388 HydrophobicContact CG2-CD1 4.41Å; I259-F421 HydrophobicContact CB-CE1 4.16Å; I259-F421 HydrophobicContact CB-CZ 3.97Å; I259-F421 HydrophobicContact CG2-CE1 3.67Å; I259-F421 HydrophobicContact CG2-CZ 4.02Å
260	L	85.6	Confident	77.1	Confident	7 Å²	7	27.4 Å²	27.4	4%	0.037	13%	0.128	C	C	.	.	I	π-helix	trans	-94.3	-41.2	-173.2	-60.1	-179.4	0	0	0	112.8	A256 K385 F421 I423 Q426	A256-L260 HydrophobicContact CB-CD1 3.95Å; A256-L260 HydrophobicContact CB-CG 4.46Å; A256-L260 WeakPolarHBondContact O-CB 3.4Å; A256-L260 PolarHBondContact O-N 3.06Å; L260-K385 HydrophobicContact CD2-CB 4.34Å; L260-K385 HydrophobicContact CD2-CD 3.96Å; L260-K385 HydrophobicContact CD2-CG 4.39Å; L260-F421 HydrophobicContact CD1-CD1 4.38Å; L260-F421 HydrophobicContact CD1-CD2 4.06Å; L260-F421 HydrophobicContact CD1-CE1 4.29Å; L260-F421 HydrophobicContact CD1-CE2 3.95Å; L260-F421 HydrophobicContact CD1-CG 4.28Å; L260-F421 HydrophobicContact CD1-CZ 4.08Å; L260-F421 HydrophobicContact CD2-CD1 3.91Å; L260-F421 HydrophobicContact CD2-CE1 3.7Å; L260-F421 HydrophobicContact CD2-CZ 4.18Å; L260-F421 HydrophobicContact CG-CD1 4.36Å; L260-F421 HydrophobicContact CG-CE1 3.92Å; L260-F421 HydrophobicContact CG-CE2 4.24Å; L260-F421 HydrophobicContact CG-CZ 3.86Å; L260-I423 HydrophobicContact CB-CG1 4.01Å; L260-Q426 HydrophobicContact CD1-CB 4.22Å; L260-Q426 HydrophobicContact CD1-CG 3.76Å
261	F	76.5	Confident	75.1	Confident	14 Å²	14	35 Å²	35	6%	0.061	16%	0.164	C	C	.	.	I	π-helix	trans	-96.1	-37.8	-168.9	-62.1	-90.2	0	0	0	113.8	A256 K264 Q265 I423 L427 I434 L439	A256-F261 HydrophobicContact CB-CE2 4.17Å; A256-F261 VanDerWaalsContact O-CD2 3.29Å; A256-F261 WeakPolarHBondContact O-CD2 3.27Å; A256-F261 PolarHBondContact O-N 2.8Å; F261-K264 PolarHBondContact O-N 3.2Å; F261-Q265 WeakPolarHBondContact O-CG 3.47Å; F261-Q265 PolarHBondContact O-N 3.35Å; F261-Q265 VanDerWaalsContact O-N 3.08Å; F261-I423 HydrophobicContact CD1-CG1 4.32Å; F261-I423 HydrophobicContact CD1-CG2 4.38Å; F261-I423 HydrophobicContact CE1-CB 4.29Å; F261-I423 HydrophobicContact CE1-CG1 4.14Å; F261-I423 HydrophobicContact CE1-CG2 3.61Å; F261-I423 HydrophobicContact CZ-CB 4.42Å; F261-I423 HydrophobicContact CZ-CG1 4.36Å; F261-I423 HydrophobicContact CZ-CG2 4.05Å; F261-L427 HydrophobicContact CE1-CD2 4.25Å; F261-L427 HydrophobicContact CE1-CG 4.4Å; F261-L427 HydrophobicContact CZ-CD2 4.07Å; F261-L427 HydrophobicContact CZ-CG 4.1Å; F261-I434 HydrophobicContact CE2-CD1 4.04Å; F261-L439 HydrophobicContact CB-CD2 3.83Å; F261-L439 HydrophobicContact CD1-CD1 4.37Å; F261-L439 HydrophobicContact CD1-CD2 3.34Å; F261-L439 HydrophobicContact CD1-CG 4.45Å; F261-L439 HydrophobicContact CD2-CD2 3.7Å; F261-L439 HydrophobicContact CE1-CD1 4.23Å; F261-L439 HydrophobicContact CE1-CD2 3.65Å; F261-L439 HydrophobicContact CE2-CD2 4.03Å; F261-L439 HydrophobicContact CG-CD2 3.35Å; F261-L439 HydrophobicContact CZ-CD2 4Å
262	F	75.3	Confident	73.3	Confident	1 Å²	1	39.1 Å²	39.1	0%	0.004	19%	0.186	C	C	.	.	H	α-helix	trans	-55.1	-48.7	179.3	165.2	-105.4	0	0	0	113.3	I197 I200 M201 I204 P257 F258 K264 Q265 S266 Y441	I197-F262 HydrophobicContact CG2-CE1 4.34Å; I197-F262 HydrophobicContact CG2-CZ 4.09Å; I200-F262 HydrophobicContact CB-CE2 3.73Å; I200-F262 HydrophobicContact CB-CZ 4.28Å; I200-F262 HydrophobicContact CD1-CE2 4.44Å; I200-F262 HydrophobicContact CG2-CD2 3.91Å; I200-F262 HydrophobicContact CG2-CE2 3.35Å; I200-F262 HydrophobicContact CG2-CZ 4.34Å; M201-F262 HydrophobicContact CG-CD1 4.17Å; M201-F262 HydrophobicContact CG-CE1 3.33Å; M201-F262 HydrophobicContact CG-CE2 4.39Å; M201-F262 HydrophobicContact CG-CZ 3.45Å; M201-F262 VanDerWaalsContact CG-CZ 3.45Å; M201-F262 HydrophobicContact SD-CE1 3.99Å; M201-F262 HydrophobicContact SD-CZ 4.45Å; I204-F262 HydrophobicContact CD1-CB 4.04Å; I204-F262 HydrophobicContact CD1-CD2 3.32Å; I204-F262 HydrophobicContact CD1-CE2 3.99Å; I204-F262 HydrophobicContact CD1-CG 3.82Å; P257-F262 PolarHBondContact O-N 2.69Å; F258-F262 WeakPolarHBondContact O-CB 3.43Å; F262-K264 VanDerWaalsContact C-N 3.32Å; F262-K264 PolarHBondContact O-N 2.99Å; F262-Q265 PolarHBondContact O-N 2.8Å; F262-S266 PolarHBondContact O-N 3.19Å; F262-S266 PolarHBondContact O-OG 3.18Å; F262-Y441 HydrophobicContact CB-CE2 4.24Å
263	P	66.4	Low	71.3	Confident	17 Å²	17	37.2 Å²	37.2	11%	0.11	18%	0.178	C	C	.	.	H	α-helix	trans	-56.6	-46.1	178.6	-26.6	35.6	0	0	0	111.9	Q265 S266 I267	P263-Q265 VanDerWaalsContact C-N 3.28Å; P263-Q265 PolarHBondContact O-N 3.14Å; P263-S266 PolarHBondContact O-N 3.15Å; P263-S266 PolarHBondContact O-OG 2.96Å; P263-I267 WeakPolarHBondContact O-CG1 3.37Å; P263-I267 PolarHBondContact O-N 3.28Å
264	K	61.9	Low	69.2	Low	98 Å²	98	39.1 Å²	39.1	43%	0.426	19%	0.19	S	C	.	.	H	α-helix	trans	-61.3	-33.5	178.3	-72.8	-151.2	179.7	-177.3	0	113.1	F261 F262 I267 Y268 I423	F261-K264 PolarHBondContact O-N 3.2Å; F262-K264 VanDerWaalsContact C-N 3.32Å; F262-K264 PolarHBondContact O-N 2.99Å; K264-I267 VanDerWaalsContact O-CB 3.25Å; K264-I267 WeakPolarHBondContact O-CB 3.34Å; K264-I267 WeakPolarHBondContact O-CG1 3.43Å; K264-I267 PolarHBondContact O-N 3.36Å; K264-Y268 WeakPolarHBondContact O-CD2 3.37Å; K264-I423 HydrophobicContact CD-CD1 3.35Å; K264-I423 HydrophobicContact CG-CD1 4.08Å
265	Q	59	Low	67.1	Low	34 Å²	34	47.7 Å²	47.7	16%	0.159	22%	0.221	C	C	.	.	H	α-helix	trans	-80.2	-33.5	-179.1	-68.7	172.1	14.6	0	0	113.6	F261 F262 P263 I267 Y268 S269 L439 Y441 F443	F261-Q265 WeakPolarHBondContact O-CG 3.47Å; F261-Q265 PolarHBondContact O-N 3.35Å; F261-Q265 VanDerWaalsContact O-N 3.08Å; F262-Q265 PolarHBondContact O-N 2.8Å; P263-Q265 VanDerWaalsContact C-N 3.28Å; P263-Q265 PolarHBondContact O-N 3.14Å; Q265-I267 PolarHBondContact O-N 3.23Å; Q265-Y268 PolarHBondContact O-N 3.5Å; Q265-S269 PolarHBondContact O-N 2.81Å; Q265-S269 PolarHBondContact O-OG 3.21Å; Q265-L439 PolarHBondContact NE2-O 3.1Å; Q265-L439 PolarHBondContact OE1-O 3.11Å; Q265-Y441 VanDerWaalsContact OE1-CD2 3.23Å; Q265-F443 HydrophobicContact CB-CE2 4.06Å
266	S	59.2	Low	65.2	Low	3 Å²	3	48.2 Å²	48.2	2%	0.021	23%	0.225	C	C	.	.	H	α-helix	trans	-59.3	-30.4	168.4	49.5	0	0	0	0	111.9	F262 P263 S269 N270 L273	F262-S266 PolarHBondContact O-N 3.19Å; F262-S266 PolarHBondContact O-OG 3.18Å; P263-S266 PolarHBondContact O-N 3.15Å; P263-S266 PolarHBondContact O-OG 2.96Å; S266-S269 PolarHBondContact O-N 3.07Å; S266-N270 PolarHBondContact O-N 3.42Å; S266-L273 WeakPolarHBondContact O-CD1 3.4Å
267	I	49.7	Very low	63.7	Low	69 Å²	69	49.4 Å²	49.4	35%	0.354	23%	0.23	S	C	.	.	H	α-helix	trans	-60.4	-51.1	174.4	-46.8	-170.9	0	0	0	111.9	P263 K264 Q265 S269 N270 V274	P263-I267 WeakPolarHBondContact O-CG1 3.37Å; P263-I267 PolarHBondContact O-N 3.28Å; K264-I267 VanDerWaalsContact O-CB 3.25Å; K264-I267 WeakPolarHBondContact O-CB 3.34Å; K264-I267 WeakPolarHBondContact O-CG1 3.43Å; K264-I267 PolarHBondContact O-N 3.36Å; Q265-I267 PolarHBondContact O-N 3.23Å; I267-S269 PolarHBondContact O-N 3Å; I267-N270 CarbonylContact O-C 3.47Å; I267-N270 PolarHBondContact O-N 2.94Å; I267-V274 HydrophobicContact CB-CG2 3.64Å; I267-V274 HydrophobicContact CD1-CG1 4.48Å; I267-V274 HydrophobicContact CD1-CG2 4.19Å; I267-V274 HydrophobicContact CG1-CG2 3.46Å; I267-V274 VanDerWaalsContact CG1-CG2 3.46Å; I267-V274 HydrophobicContact CG2-CG2 3.61Å
268	Y	48.5	Very low	62.3	Low	180 Å²	180	52.3 Å²	52.3	71%	0.706	25%	0.25	S	S	*	.	H	α-helix	trans	-64.4	-23.4	-176.7	-68.6	-68.7	0	0	0	113	K264 Q265	K264-Y268 WeakPolarHBondContact O-CD2 3.37Å; Q265-Y268 PolarHBondContact O-N 3.5Å
269	S	53.9	Low	61.4	Low	26 Å²	26	56.4 Å²	56.4	18%	0.182	27%	0.272	C	S	.	.	H	α-helix	trans	-80.2	-31.9	179.9	-57.5	0	0	0	0	112.4	Q265 S266 I267	Q265-S269 PolarHBondContact O-N 2.81Å; Q265-S269 PolarHBondContact O-OG 3.21Å; S266-S269 PolarHBondContact O-N 3.07Å; I267-S269 PolarHBondContact O-N 3Å
270	N	55	Low	61	Low	50 Å²	50	59.4 Å²	59.4	27%	0.267	29%	0.292	S	S	.	.			trans	-171	120.2	176.2	-168.7	-14.4	0	0	0	110.2	S266 I267 N272 L273	S266-N270 PolarHBondContact O-N 3.42Å; I267-N270 CarbonylContact O-C 3.47Å; I267-N270 PolarHBondContact O-N 2.94Å; N270-N272 PolarHBondContact O-N 2.7Å; N270-N272 VanDerWaalsContact O-N 3.11Å; N270-N272 WeakPolarHBondContact OD1-CB 3.33Å; N270-N272 PolarHBondContact OD1-N 2.9Å; N270-N272 VanDerWaalsContact OD1-N 3.08Å; N270-L273 HydrophobicContact CB-CB 4.46Å; N270-L273 HydrophobicContact CB-CD1 3.55Å; N270-L273 HydrophobicContact CB-CG 3.8Å; N270-L273 WeakPolarHBondContact O-CB 3.28Å; N270-L273 PolarHBondContact O-N 3.33Å
271	Q	53.7	Low	61	Low	161 Å²	161	59.6 Å²	59.6	75%	0.752	29%	0.293	S	S	*	.	H	α-helix	trans	-56.8	-28.9	176	-69.7	-177.7	-2.6	0	0	112.5	L273 V274	Q271-L273 VanDerWaalsContact C-N 3.27Å; Q271-L273 PolarHBondContact O-N 3.48Å; Q271-V274 WeakPolarHBondContact O-CB 3.22Å; Q271-V274 PolarHBondContact O-N 3.35Å; Q271-V274 VanDerWaalsContact O-N 3.14Å
272	N	55.5	Low	61.6	Low	88 Å²	88	63.7 Å²	63.7	47%	0.471	31%	0.312	S	S	.	.	H	α-helix	trans	-69	-21.9	177.2	-65	-28.1	0	0	0	113.4	N193 N270 V274 S276	N193-N272 PolarHBondContact ND2-O 3.45Å; N270-N272 PolarHBondContact O-N 2.7Å; N270-N272 VanDerWaalsContact O-N 3.11Å; N270-N272 WeakPolarHBondContact OD1-CB 3.33Å; N270-N272 PolarHBondContact OD1-N 2.9Å; N270-N272 VanDerWaalsContact OD1-N 3.08Å; N272-V274 VanDerWaalsContact C-N 3.3Å; N272-S276 PolarHBondContact O-N 3.39Å
273	L	54.5	Low	62.4	Low	0 Å²	0	64.1 Å²	64.1	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-67	-34.6	172.3	-69.8	161.1	0	0	0	110.7	N193 K196 I197 S266 N270 Q271 S276 Y277	N193-L273 HydrophobicContact CB-CD2 3.71Å; N193-L273 WeakPolarHBondContact O-CD2 3.33Å; K196-L273 HydrophobicContact CB-CD2 4.31Å; K196-L273 HydrophobicContact CD-CD2 4.45Å; I197-L273 HydrophobicContact CD1-CB 4.28Å; I197-L273 HydrophobicContact CD1-CD2 4.01Å; I197-L273 HydrophobicContact CG1-CD2 3.83Å; S266-L273 WeakPolarHBondContact O-CD1 3.4Å; N270-L273 HydrophobicContact CB-CB 4.46Å; N270-L273 HydrophobicContact CB-CD1 3.55Å; N270-L273 HydrophobicContact CB-CG 3.8Å; N270-L273 WeakPolarHBondContact O-CB 3.28Å; N270-L273 PolarHBondContact O-N 3.33Å; Q271-L273 VanDerWaalsContact C-N 3.27Å; Q271-L273 PolarHBondContact O-N 3.48Å; L273-S276 WeakPolarHBondContact O-CB 3.16Å; L273-S276 PolarHBondContact O-N 2.95Å; L273-Y277 PolarHBondContact O-N 3.17Å; L273-Y277 VanDerWaalsContact O-N 3.1Å
274	V	50.8	Low	63.7	Low	40 Å²	40	68 Å²	68	24%	0.242	33%	0.334	C	S	.	.	H	α-helix	trans	-67.8	-48.9	-177.6	-171.6	0	0	0	0	111.8	I267 Q271 N272 S276 Y277 S278	I267-V274 HydrophobicContact CB-CG2 3.64Å; I267-V274 HydrophobicContact CD1-CG1 4.48Å; I267-V274 HydrophobicContact CD1-CG2 4.19Å; I267-V274 HydrophobicContact CG1-CG2 3.46Å; I267-V274 VanDerWaalsContact CG1-CG2 3.46Å; I267-V274 HydrophobicContact CG2-CG2 3.61Å; Q271-V274 WeakPolarHBondContact O-CB 3.22Å; Q271-V274 PolarHBondContact O-N 3.35Å; Q271-V274 VanDerWaalsContact O-N 3.14Å; N272-V274 VanDerWaalsContact C-N 3.3Å; V274-S276 PolarHBondContact O-N 3.46Å; V274-S276 VanDerWaalsContact O-N 3.14Å; V274-Y277 PolarHBondContact O-N 3.06Å; V274-S278 PolarHBondContact O-N 3.38Å
275	R	49.5	Very low	65.2	Low	188 Å²	188	65.2 Å²	65.2	71%	0.709	32%	0.324	S	S	*	.	H	α-helix	trans	-60.9	-26.6	178.7	-166.3	179.2	-93.5	173.9	-7.8	111.1	N279	R275-N279 WeakPolarHBondContact O-CB 3.29Å; R275-N279 PolarHBondContact O-N 3.22Å
276	S	54.8	Low	66.9	Low	14 Å²	14	63.8 Å²	63.8	10%	0.098	32%	0.317	C	S	.	.	H	α-helix	trans	-80.3	-21.7	173.8	-160.4	0	0	0	0	114.2	T194 N272 L273 V274	T194-S276 PolarHBondContact OG1-OG 2.91Å; N272-S276 PolarHBondContact O-N 3.39Å; L273-S276 WeakPolarHBondContact O-CB 3.16Å; L273-S276 PolarHBondContact O-N 2.95Å; V274-S276 PolarHBondContact O-N 3.46Å; V274-S276 VanDerWaalsContact O-N 3.14Å
277	Y	59.9	Low	68.6	Low	25 Å²	25	65.2 Å²	65.2	10%	0.098	33%	0.325	C	S	.	.	H	α-helix	trans	-84.6	-40.6	177.6	-166.2	-89.5	0	0	0	111.6	I197 L273 V274 L379 D383	I197-Y277 HydrophobicContact CD1-CD2 4.42Å; I197-Y277 HydrophobicContact CG2-CD2 4.17Å; I197-Y277 HydrophobicContact CG2-CE2 4.39Å; L273-Y277 PolarHBondContact O-N 3.17Å; L273-Y277 VanDerWaalsContact O-N 3.1Å; V274-Y277 PolarHBondContact O-N 3.06Å; Y277-L379 HydrophobicContact CD2-CD2 4.45Å; Y277-L379 HydrophobicContact CE2-CD2 3.76Å; Y277-D383 HydrophobicContact CE1-CB 4.34Å
278	S	60.2	Low	70.8	Confident	73 Å²	73	66.1 Å²	66.1	51%	0.51	33%	0.325	S	S	.	.	H	α-helix	trans	-80.6	-29.4	-177.2	-58.2	0	0	0	0	113.8	V274	V274-S278 PolarHBondContact O-N 3.38Å
279	N	70	Confident	73	Confident	92 Å²	92	57.7 Å²	57.7	49%	0.492	29%	0.291	S	S	.	.	S	Bend	trans	-89.8	144	177.8	-69.6	-14.4	0	0	0	110.5	R275 I281	R275-N279 WeakPolarHBondContact O-CB 3.29Å; R275-N279 PolarHBondContact O-N 3.22Å; N279-I281 PolarHBondContact O-N 3.4Å
280	P	82	Confident	75	Confident	67 Å²	67	56.4 Å²	56.4	44%	0.435	28%	0.283	S	S	.	.	P	Polyproline II helix	trans	-53.6	126	172.2	-24.3	33.1	0	0	0	110.7	Q282	P280-Q282 PolarHBondContact O-N 3.33Å
281	I	85.5	Confident	76.8	Confident	12 Å²	12	54.6 Å²	54.6	6%	0.062	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-69.6	122.7	178.6	-62.2	170.1	0	0	0	107.9	T194 N279 F283 L375 N376 L379	T194-I281 HydrophobicContact CG2-CD1 3.67Å; T194-I281 HydrophobicContact CG2-CG2 4.4Å; N279-I281 PolarHBondContact O-N 3.4Å; I281-F283 HydrophobicContact CG2-CE2 4.29Å; I281-F283 HydrophobicContact CG2-CZ 4Å; I281-L375 HydrophobicContact CB-CD2 4.23Å; I281-L375 HydrophobicContact CD1-CD1 4.41Å; I281-L375 HydrophobicContact CD1-CD2 3.55Å; I281-L375 HydrophobicContact CD1-CG 3.86Å; I281-L375 HydrophobicContact CG1-CD2 4.49Å; I281-L375 HydrophobicContact CG2-CD2 3.97Å; I281-N376 PolarHBondContact N-OD1 3.34Å; I281-N376 PolarHBondContact O-ND2 2.86Å; I281-L379 HydrophobicContact CD1-CD1 3.45Å; I281-L379 VanDerWaalsContact CD1-CD1 3.45Å
282	Q	88.5	Confident	78.6	Confident	99 Å²	99	46.9 Å²	46.9	46%	0.463	24%	0.238	S	C	.	.			trans	-129.1	153.9	-178.8	-67.8	172.7	61.2	0	0	109.2	P280 D284	P280-Q282 PolarHBondContact O-N 3.33Å; Q282-D284 PolarHBondContact OE1-OD2 2.97Å
283	F	92.8	Very high	80.2	Confident	10 Å²	10	43.8 Å²	43.8	4%	0.044	22%	0.222	C	C	.	.			trans	-115.6	12.9	-175.6	-61.4	-80.5	0	0	0	112.4	F72 I75 I281 D285 L286 N287 I368 A372	F72-F283 HydrophobicContact CD2-CE1 4.13Å; F72-F283 AromaticContact CD2-CZ 3.75Å; F72-F283 HydrophobicContact CD2-CZ 3.75Å; F72-F283 AromaticContact CE2-CE1 3.59Å; F72-F283 HydrophobicContact CE2-CE1 3.59Å; F72-F283 AromaticContact CE2-CZ 3.55Å; F72-F283 HydrophobicContact CE2-CZ 3.55Å; F72-F283 HydrophobicContact CZ-CE1 4.39Å; I75-F283 HydrophobicContact CD1-CD1 4.11Å; I75-F283 HydrophobicContact CD1-CD2 4.16Å; I75-F283 HydrophobicContact CD1-CE1 3.57Å; I75-F283 HydrophobicContact CD1-CE2 3.63Å; I75-F283 HydrophobicContact CD1-CG 4.38Å; I75-F283 HydrophobicContact CD1-CZ 3.31Å; I75-F283 HydrophobicContact CG2-CD1 4.1Å; I75-F283 HydrophobicContact CG2-CE1 4.38Å; I281-F283 HydrophobicContact CG2-CE2 4.29Å; I281-F283 HydrophobicContact CG2-CZ 4Å; F283-D285 PolarHBondContact O-N 3.28Å; F283-L286 HydrophobicContact CD1-CD2 4.23Å; F283-L286 PolarHBondContact O-N 2.88Å; F283-N287 VanDerWaalsContact O-CB 3.25Å; F283-N287 WeakPolarHBondContact O-CB 3.42Å; F283-N287 PolarHBondContact O-N 2.74Å; F283-I368 HydrophobicContact CB-CG2 3.93Å; F283-I368 HydrophobicContact CD2-CG2 3.71Å; F283-I368 HydrophobicContact CG-CG2 4.06Å; F283-A372 HydrophobicContact CD2-CB 4.14Å; F283-A372 HydrophobicContact CE2-CB 3.88Å
284	D	92.9	Very high	82	Confident	99 Å²	99	44.2 Å²	44.2	53%	0.529	23%	0.225	S	C	.	.	H	α-helix	trans	-61.7	-45.3	-172	-58.3	-32.9	0	0	0	112.3	Q282 L286 N287 Y288	Q282-D284 PolarHBondContact OE1-OD2 2.97Å; D284-L286 PolarHBondContact O-N 3.32Å; D284-N287 PolarHBondContact O-N 2.86Å; D284-Y288 WeakPolarHBondContact O-CB 3.49Å; D284-Y288 PolarHBondContact O-N 3.4Å
285	D	94.3	Very high	84	Confident	40 Å²	40	42.5 Å²	42.5	21%	0.214	21%	0.214	C	C	.	.	H	α-helix	trans	-64.7	-40.7	177.1	-57.2	-60.9	0	0	0	111.7	T186 R190 F283 Y288 F289	T186-D285 HydrophobicContact CG2-CB 4.4Å; T186-D285 WeakPolarHBondContact CG2-OD2 3.46Å; R190-D285 IonicContact CZ-OD2 3.64Å; R190-D285 IonicContact NE-OD2 3.52Å; R190-D285 IonicContact NH1-OD2 2.84Å; R190-D285 PolarHBondContact NH1-OD2 3.15Å; F283-D285 PolarHBondContact O-N 3.28Å; D285-Y288 PolarHBondContact O-N 2.8Å; D285-F289 WeakPolarHBondContact O-CB 3.5Å; D285-F289 PolarHBondContact O-N 3.01Å
286	L	94.8	Very high	86	Confident	3 Å²	3	34.8 Å²	34.8	2%	0.016	19%	0.185	C	C	.	.	H	α-helix	trans	-67.7	-39.2	177.8	-176.3	66.4	0	0	0	110.9	I75 L79 F116 Y191 F283 D284 F289 L290	I75-L286 HydrophobicContact CG2-CD2 4.29Å; L79-L286 HydrophobicContact CD1-CD2 4.11Å; L79-L286 HydrophobicContact CD1-CG 4.05Å; F116-L286 HydrophobicContact CZ-CD1 4.16Å; Y191-L286 HydrophobicContact CD2-CD2 4.34Å; Y191-L286 HydrophobicContact CG-CD2 4.43Å; F283-L286 HydrophobicContact CD1-CD2 4.23Å; F283-L286 PolarHBondContact O-N 2.88Å; D284-L286 PolarHBondContact O-N 3.32Å; L286-F289 HydrophobicContact CD1-CD1 4.45Å; L286-F289 PolarHBondContact O-N 2.95Å; L286-L290 HydrophobicContact CD1-CD1 3.95Å; L286-L290 HydrophobicContact CD1-CG 4.43Å; L286-L290 HydrophobicContact CG-CD1 4.14Å; L286-L290 WeakPolarHBondContact O-CB 3.03Å; L286-L290 WeakPolarHBondContact O-CG 3.06Å; L286-L290 PolarHBondContact O-N 3.1Å
287	N	94.4	Very high	87.8	Confident	34 Å²	34	34.9 Å²	34.9	18%	0.182	19%	0.185	C	C	.	.	H	α-helix	trans	-65.7	-44.7	175.8	-174	50.5	0	0	0	110.7	L79 F283 D284 L290 S291	L79-N287 HydrophobicContact CD2-CB 4.36Å; L79-N287 WeakPolarHBondContact CD2-OD1 3.46Å; F283-N287 VanDerWaalsContact O-CB 3.25Å; F283-N287 WeakPolarHBondContact O-CB 3.42Å; F283-N287 PolarHBondContact O-N 2.74Å; D284-N287 PolarHBondContact O-N 2.86Å; N287-L290 CarbonylContact O-C 3.56Å; N287-L290 PolarHBondContact O-N 3Å; N287-S291 WeakPolarHBondContact O-CA 3.2Å; N287-S291 WeakPolarHBondContact O-CB 3.22Å; N287-S291 PolarHBondContact O-N 3.17Å
288	Y	94.7	Very high	89.4	Confident	88 Å²	88	33.8 Å²	33.8	35%	0.345	18%	0.18	S	C	.	.	H	α-helix	trans	-61.3	-45.9	174.9	-179.6	-84.1	0	0	0	111.6	A183 D284 D285 L290 S291 T294	A183-Y288 HydrophobicContact CB-CD1 3.33Å; A183-Y288 HydrophobicContact CB-CE1 4.03Å; A183-Y288 HydrophobicContact CB-CG 4.18Å; D284-Y288 WeakPolarHBondContact O-CB 3.49Å; D284-Y288 PolarHBondContact O-N 3.4Å; D285-Y288 PolarHBondContact O-N 2.8Å; Y288-L290 VanDerWaalsContact C-N 3.35Å; Y288-L290 PolarHBondContact O-N 2.96Å; Y288-S291 PolarHBondContact O-N 3.07Å; Y288-T294 HydrophobicContact CD1-CG2 4.45Å; Y288-T294 HydrophobicContact CE1-CG2 3.91Å; Y288-T294 WeakPolarHBondContact O-CB 3.44Å; Y288-T294 PolarHBondContact O-OG1 2.95Å
289	F	94.9	Very high	91	Very high	2 Å²	2	30.3 Å²	30.3	1%	0.009	16%	0.156	C	C	.	.	H	α-helix	trans	-59.5	-44.4	178.2	168.7	-116.6	0	0	0	112	F108 I128 W180 A183 L184 D285 L286	F108-F289 HydrophobicContact CE2-CE2 4.2Å; F108-F289 AromaticContact CE2-CZ 3.86Å; F108-F289 HydrophobicContact CE2-CZ 3.86Å; F108-F289 HydrophobicContact CZ-CE1 4.35Å; F108-F289 AromaticContact CZ-CE2 3.93Å; F108-F289 HydrophobicContact CZ-CE2 3.93Å; F108-F289 AromaticContact CZ-CZ 3.63Å; F108-F289 HydrophobicContact CZ-CZ 3.63Å; I128-F289 HydrophobicContact CD1-CZ 4.03Å; I128-F289 HydrophobicContact CG1-CZ 4.12Å; I128-F289 HydrophobicContact CG2-CE2 3.87Å; I128-F289 HydrophobicContact CG2-CZ 4.16Å; W180-F289 AromaticContact CD1-CD2 3.8Å; W180-F289 HydrophobicContact CD2-CD2 4.34Å; W180-F289 HydrophobicContact CD2-CE2 4.36Å; W180-F289 AromaticContact CE2-CD2 3.73Å; W180-F289 AromaticContact CE2-CE2 3.67Å; W180-F289 HydrophobicContact CG-CD2 4.41Å; W180-F289 HydrophobicContact CH2-CE2 4.36Å; W180-F289 HydrophobicContact CZ2-CD2 4.21Å; W180-F289 AromaticContact CZ2-CE2 3.7Å; W180-F289 HydrophobicContact CZ2-CE2 3.7Å; W180-F289 AromaticContact NE1-CD2 3.36Å; W180-F289 AromaticContact NE1-CE2 3.78Å; W180-F289 PolarHBondContact NE1-O 2.86Å; A183-F289 HydrophobicContact CB-CB 4.25Å; L184-F289 HydrophobicContact CB-CD2 3.68Å; L184-F289 HydrophobicContact CB-CE2 3.94Å; L184-F289 HydrophobicContact CB-CG 4.09Å; L184-F289 HydrophobicContact CD1-CD1 3.97Å; L184-F289 HydrophobicContact CD1-CD2 4.17Å; L184-F289 HydrophobicContact CD1-CE1 3.6Å; L184-F289 HydrophobicContact CD1-CE2 3.84Å; L184-F289 HydrophobicContact CD1-CG 4.27Å; L184-F289 HydrophobicContact CD1-CZ 3.55Å; L184-F289 HydrophobicContact CD2-CE2 4.5Å; L184-F289 HydrophobicContact CG-CD2 4.45Å; L184-F289 HydrophobicContact CG-CE2 4.28Å; L184-F289 HydrophobicContact CG-CZ 4.45Å; D285-F289 WeakPolarHBondContact O-CB 3.5Å; D285-F289 PolarHBondContact O-N 3.01Å; L286-F289 HydrophobicContact CD1-CD1 4.45Å; L286-F289 PolarHBondContact O-N 2.95Å
290	L	95.5	Very high	92	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-89.4	-0.6	-178.5	-64.4	175.2	0	0	0	113.8	L79 V80 N83 F108 Y109 V112 F116 L286 N287 Y288 A292	L79-L290 HydrophobicContact CB-CB 4.18Å; L79-L290 HydrophobicContact CB-CD1 3.73Å; L79-L290 HydrophobicContact CD1-CD1 4.01Å; V80-L290 HydrophobicContact CG2-CD1 4.11Å; V80-L290 HydrophobicContact CG2-CD2 3.93Å; N83-L290 WeakPolarHBondContact CB-O 3.29Å; N83-L290 PolarHBondContact ND2-O 2.89Å; F108-L290 HydrophobicContact CZ-CD2 4.38Å; Y109-L290 WeakPolarHBondContact CE1-O 3.31Å; Y109-L290 PolarHBondContact OH-O 3.38Å; V112-L290 HydrophobicContact CG2-CD2 4.16Å; F116-L290 HydrophobicContact CE2-CD1 4.05Å; F116-L290 HydrophobicContact CE2-CD2 4.29Å; F116-L290 HydrophobicContact CZ-CD1 4.45Å; L286-L290 HydrophobicContact CD1-CD1 3.95Å; L286-L290 HydrophobicContact CD1-CG 4.43Å; L286-L290 HydrophobicContact CG-CD1 4.14Å; L286-L290 WeakPolarHBondContact O-CB 3.03Å; L286-L290 WeakPolarHBondContact O-CG 3.06Å; L286-L290 PolarHBondContact O-N 3.1Å; N287-L290 CarbonylContact O-C 3.56Å; N287-L290 PolarHBondContact O-N 3Å; Y288-L290 VanDerWaalsContact C-N 3.35Å; Y288-L290 PolarHBondContact O-N 2.96Å; L290-A292 PolarHBondContact O-N 2.78Å
291	S	93.2	Very high	92.6	Very high	11 Å²	11	27.6 Å²	27.6	8%	0.077	13%	0.133	C	C	.	.			trans	-67.8	132	-175.7	178.7	0	0	0	0	111.8	N83 Y109 N287 Y288 T293 T294 V295	N83-S291 WeakPolarHBondContact OD1-CA 3.39Å; Y109-S291 PolarHBondContact OH-O 3.15Å; N287-S291 WeakPolarHBondContact O-CA 3.2Å; N287-S291 WeakPolarHBondContact O-CB 3.22Å; N287-S291 PolarHBondContact O-N 3.17Å; Y288-S291 PolarHBondContact O-N 3.07Å; S291-T293 PolarHBondContact O-N 3.44Å; S291-T293 WeakPolarHBondContact OG-CB 3.25Å; S291-T293 PolarHBondContact OG-N 2.83Å; S291-T294 WeakPolarHBondContact O-CB 3.36Å; S291-T294 PolarHBondContact O-N 3.45Å; S291-V295 PolarHBondContact O-N 3.5Å
292	A	92.2	Very high	93	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-58	-36.1	174.1	0	0	0	0	0	111.3	N83 L86 L87 F90 Y109 L290 T294 V295 Y296	N83-A292 HydrophobicContact CB-CB 3.96Å; N83-A292 VanDerWaalsContact O-CB 3.3Å; N83-A292 WeakPolarHBondContact O-CB 3.3Å; N83-A292 PolarHBondContact OD1-N 3.27Å; L86-A292 HydrophobicContact CB-CB 3.66Å; L86-A292 HydrophobicContact CD2-CB 4.28Å; L87-A292 HydrophobicContact CB-CB 4.24Å; F90-A292 HydrophobicContact CD2-CB 4.41Å; F90-A292 HydrophobicContact CE2-CB 3.88Å; Y109-A292 VanDerWaalsContact OH-CA 3.24Å; Y109-A292 WeakPolarHBondContact OH-CA 3.44Å; Y109-A292 PolarHBondContact OH-N 2.76Å; Y109-A292 VanDerWaalsContact OH-N 3.15Å; L290-A292 PolarHBondContact O-N 2.78Å; A292-T294 VanDerWaalsContact C-N 3.28Å; A292-T294 PolarHBondContact O-N 3.42Å; A292-V295 PolarHBondContact O-N 3.15Å; A292-Y296 VanDerWaalsContact O-CB 3.26Å; A292-Y296 WeakPolarHBondContact O-CB 3.41Å; A292-Y296 PolarHBondContact O-N 2.84Å
293	T	89.4	Confident	93.2	Very high	23 Å²	23	23 Å²	23	14%	0.141	11%	0.112	C	C	.	.	H	α-helix	trans	-56.8	-43.3	174.4	-63.2	0	0	0	0	111.6	S291 Y296 N297 L350	S291-T293 PolarHBondContact O-N 3.44Å; S291-T293 WeakPolarHBondContact OG-CB 3.25Å; S291-T293 PolarHBondContact OG-N 2.83Å; T293-Y296 PolarHBondContact O-N 2.96Å; T293-N297 WeakPolarHBondContact O-CB 3.48Å; T293-N297 VanDerWaalsContact O-CG 3.23Å; T293-N297 PolarHBondContact O-N 3.34Å; T293-L350 HydrophobicContact CG2-CD1 4.29Å; T293-L350 HydrophobicContact CG2-CD2 3.27Å; T293-L350 HydrophobicContact CG2-CG 4.38Å
294	T	92	Very high	93.1	Very high	8 Å²	8	27.6 Å²	27.6	5%	0.049	13%	0.132	C	C	.	.	H	α-helix	trans	-65.4	-44.9	-178.1	-52.3	0	0	0	0	110.5	W180 Y288 S291 A292 N297 L298	W180-T294 HydrophobicContact CG-CG2 4.06Å; Y288-T294 HydrophobicContact CD1-CG2 4.45Å; Y288-T294 HydrophobicContact CE1-CG2 3.91Å; Y288-T294 WeakPolarHBondContact O-CB 3.44Å; Y288-T294 PolarHBondContact O-OG1 2.95Å; S291-T294 WeakPolarHBondContact O-CB 3.36Å; S291-T294 PolarHBondContact O-N 3.45Å; A292-T294 VanDerWaalsContact C-N 3.28Å; A292-T294 PolarHBondContact O-N 3.42Å; T294-N297 PolarHBondContact O-N 2.9Å; T294-L298 WeakPolarHBondContact O-CG 3.39Å; T294-L298 PolarHBondContact O-N 3.1Å
295	V	92.8	Very high	93.2	Very high	4 Å²	4	23.5 Å²	23.5	2%	0.024	11%	0.11	C	C	.	.	H	α-helix	trans	-66.9	-40.8	177.2	-177.7	0	0	0	0	111.6	L87 F108 Y109 S291 A292 L298 I299	L87-V295 HydrophobicContact CD1-CB 4.41Å; L87-V295 HydrophobicContact CD1-CG1 4.28Å; L87-V295 HydrophobicContact CD2-CB 4.38Å; L87-V295 HydrophobicContact CD2-CG1 3.77Å; F108-V295 HydrophobicContact CD1-CG2 4.2Å; F108-V295 HydrophobicContact CE1-CG2 4.18Å; Y109-V295 HydrophobicContact CE2-CG2 4.12Å; Y109-V295 WeakPolarHBondContact OH-CG2 3.47Å; S291-V295 PolarHBondContact O-N 3.5Å; A292-V295 PolarHBondContact O-N 3.15Å; V295-L298 WeakPolarHBondContact O-CB 3.49Å; V295-L298 PolarHBondContact O-N 3.14Å; V295-I299 HydrophobicContact CG1-CD1 4.31Å; V295-I299 WeakPolarHBondContact O-CG1 3.34Å; V295-I299 PolarHBondContact O-N 3.3Å
296	Y	91.8	Very high	93.1	Very high	26 Å²	26	21.7 Å²	21.7	10%	0.102	10%	0.1	C	C	.	.	H	α-helix	trans	-58	-48.8	173.5	176.1	-93.4	0	0	0	111.5	F90 D94 Y102 A292 T293 L298 I299 K300	F90-Y296 HydrophobicContact CB-CD2 3.62Å; F90-Y296 HydrophobicContact CB-CE2 3.91Å; F90-Y296 HydrophobicContact CB-CG 4.48Å; F90-Y296 AromaticContact CD2-CD2 3.97Å; F90-Y296 HydrophobicContact CD2-CD2 3.97Å; F90-Y296 HydrophobicContact CD2-CG 4.01Å; F90-Y296 HydrophobicContact CG-CD2 4.08Å; F90-Y296 HydrophobicContact CG-CG 4.49Å; D94-Y296 PolarHBondContact OD1-OH 3.48Å; D94-Y296 VanDerWaalsContact OD1-OH 3.05Å; D94-Y296 PolarHBondContact OD2-OH 3.13Å; Y102-Y296 AromaticContact CE1-CD2 3.58Å; Y102-Y296 HydrophobicContact CE1-CD2 3.58Å; Y102-Y296 AromaticContact CE1-CE2 3.95Å; Y102-Y296 HydrophobicContact CE1-CE2 3.95Å; Y102-Y296 AromaticContact CZ-CE2 3.94Å; Y102-Y296 VanDerWaalsContact OH-CE2 3.25Å; Y102-Y296 WeakPolarHBondContact OH-CE2 3.46Å; A292-Y296 VanDerWaalsContact O-CB 3.26Å; A292-Y296 WeakPolarHBondContact O-CB 3.41Å; A292-Y296 PolarHBondContact O-N 2.84Å; T293-Y296 PolarHBondContact O-N 2.96Å; Y296-L298 VanDerWaalsContact C-N 3.32Å; Y296-L298 PolarHBondContact O-N 3.08Å; Y296-I299 WeakPolarHBondContact O-CB 3.33Å; Y296-I299 PolarHBondContact O-N 3.04Å; Y296-I299 VanDerWaalsContact O-N 3.09Å; Y296-K300 HydrophobicContact CD1-CG 4.04Å; Y296-K300 HydrophobicContact CE1-CD 4.26Å; Y296-K300 HydrophobicContact CE1-CG 3.55Å; Y296-K300 HydrophobicContact CE2-CD 4.11Å; Y296-K300 HydrophobicContact CE2-CG 4.12Å; Y296-K300 WeakPolarHBondContact O-CG 3.25Å; Y296-K300 PolarHBondContact O-N 3.48Å
297	N	92.1	Very high	92.9	Very high	17 Å²	17	25 Å²	25	9%	0.091	12%	0.117	C	C	.	.	H	α-helix	trans	-63.8	-36.9	179	-73.5	-10.6	0	0	0	112.3	L176 T293 T294 I299 K300 K301	L176-N297 HydrophobicContact CD1-CB 4.29Å; T293-N297 WeakPolarHBondContact O-CB 3.48Å; T293-N297 VanDerWaalsContact O-CG 3.23Å; T293-N297 PolarHBondContact O-N 3.34Å; T294-N297 PolarHBondContact O-N 2.9Å; N297-I299 VanDerWaalsContact C-N 3.34Å; N297-K300 PolarHBondContact O-N 3.47Å; N297-K301 WeakPolarHBondContact O-CB 3.35Å; N297-K301 PolarHBondContact O-N 3.49Å
298	L	94.3	Very high	92.8	Very high	1 Å²	1	29.1 Å²	29.1	1%	0.005	14%	0.136	C	C	.	.	H	α-helix	trans	-59.2	-45.3	171.6	-74.3	167.5	0	0	0	111.2	L132 L135 F173 L176 W180 T294 V295 Y296 G302	L132-L298 HydrophobicContact CD1-CD1 4.26Å; L132-L298 HydrophobicContact CD1-CD2 4.42Å; L135-L298 HydrophobicContact CD2-CB 4.44Å; F173-L298 HydrophobicContact CB-CD2 3.83Å; F173-L298 HydrophobicContact CD1-CB 4.17Å; F173-L298 HydrophobicContact CD1-CD2 3.87Å; F173-L298 VanDerWaalsContact CD1-O 3.27Å; F173-L298 WeakPolarHBondContact CD1-O 3.4Å; F173-L298 HydrophobicContact CE1-CB 4.27Å; F173-L298 VanDerWaalsContact CE1-O 3.25Å; F173-L298 WeakPolarHBondContact CE1-O 3.35Å; F173-L298 HydrophobicContact CG-CD2 3.85Å; L176-L298 HydrophobicContact CB-CD2 3.64Å; L176-L298 HydrophobicContact CD1-CD2 4.34Å; W180-L298 HydrophobicContact CD2-CD1 3.95Å; W180-L298 HydrophobicContact CE3-CD1 4.03Å; W180-L298 HydrophobicContact CG-CD1 4.37Å; W180-L298 HydrophobicContact CZ3-CD1 4.39Å; T294-L298 WeakPolarHBondContact O-CG 3.39Å; T294-L298 PolarHBondContact O-N 3.1Å; V295-L298 WeakPolarHBondContact O-CB 3.49Å; V295-L298 PolarHBondContact O-N 3.14Å; Y296-L298 VanDerWaalsContact C-N 3.32Å; Y296-L298 PolarHBondContact O-N 3.08Å; L298-G302 PolarHBondContact O-N 2.97Å
299	I	92.9	Very high	92.8	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-61.9	-53.1	177.4	-66.9	167.1	0	0	0	110.6	L87 L101 Y102 L135 V295 Y296 N297 K301 G302 I303	L87-I299 HydrophobicContact CD1-CD1 4.45Å; L101-I299 HydrophobicContact CB-CG2 4.17Å; Y102-I299 HydrophobicContact CD1-CD1 3.63Å; Y102-I299 HydrophobicContact CE1-CB 4.4Å; Y102-I299 HydrophobicContact CE1-CD1 3.86Å; Y102-I299 HydrophobicContact CE1-CG2 4.06Å; Y102-I299 HydrophobicContact CG-CD1 4.46Å; L135-I299 HydrophobicContact CD1-CG1 4.07Å; L135-I299 HydrophobicContact CD2-CG1 4.2Å; V295-I299 HydrophobicContact CG1-CD1 4.31Å; V295-I299 WeakPolarHBondContact O-CG1 3.34Å; V295-I299 PolarHBondContact O-N 3.3Å; Y296-I299 WeakPolarHBondContact O-CB 3.33Å; Y296-I299 PolarHBondContact O-N 3.04Å; Y296-I299 VanDerWaalsContact O-N 3.09Å; N297-I299 VanDerWaalsContact C-N 3.34Å; I299-K301 PolarHBondContact O-N 2.81Å; I299-G302 PolarHBondContact O-N 3.47Å; I299-I303 HydrophobicContact CG2-CD1 3.75Å; I299-I303 WeakPolarHBondContact O-CG1 3.09Å; I299-I303 PolarHBondContact O-N 3.37Å
300	K	91.6	Very high	92.7	Very high	55 Å²	55	30.5 Å²	30.5	24%	0.239	15%	0.147	C	C	.	.	H	α-helix	trans	-61.2	-42.6	-179.1	-62.7	-56.3	-68.1	-169.8	0	112.4	D94 Y102 Y296 N297 K304	D94-K300 WeakPolarHBondContact OD2-CD 3.21Å; D94-K300 IonicContact OD2-NZ 2.7Å; D94-K300 PolarHBondContact OD2-NZ 3.23Å; Y102-K300 WeakPolarHBondContact OH-CD 3.32Å; Y296-K300 HydrophobicContact CD1-CG 4.04Å; Y296-K300 HydrophobicContact CE1-CD 4.26Å; Y296-K300 HydrophobicContact CE1-CG 3.55Å; Y296-K300 HydrophobicContact CE2-CD 4.11Å; Y296-K300 HydrophobicContact CE2-CG 4.12Å; Y296-K300 WeakPolarHBondContact O-CG 3.25Å; Y296-K300 PolarHBondContact O-N 3.48Å; N297-K300 PolarHBondContact O-N 3.47Å; K300-K304 WeakPolarHBondContact O-CB 3.42Å; K300-K304 PolarHBondContact O-N 3.33Å
301	K	93.6	Very high	92.5	Very high	47 Å²	47	34.4 Å²	34.4	20%	0.204	18%	0.179	C	C	.	.	H	α-helix	trans	-64	-45.7	176.6	178.7	55.1	172.6	158.4	0	110.8	L176 N297 I299 I303 K304 E305	L176-K301 HydrophobicContact CD1-CB 3.7Å; L176-K301 HydrophobicContact CD1-CG 3.93Å; N297-K301 WeakPolarHBondContact O-CB 3.35Å; N297-K301 PolarHBondContact O-N 3.49Å; I299-K301 PolarHBondContact O-N 2.81Å; K301-I303 PolarHBondContact O-N 3.02Å; K301-K304 PolarHBondContact O-N 3.19Å; K301-E305 IonicContact NZ-OE2 3.87Å; K301-E305 PolarHBondContact NZ-OE2 3.08Å; K301-E305 VanDerWaalsContact O-CB 3.25Å; K301-E305 WeakPolarHBondContact O-CB 3.47Å; K301-E305 PolarHBondContact O-N 3.04Å
302	G	94.5	Very high	92.6	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-61.4	-43.2	178.4	0	0	0	0	0	112.9	L298 I299 T306	L298-G302 PolarHBondContact O-N 2.97Å; I299-G302 PolarHBondContact O-N 3.47Å; G302-T306 WeakPolarHBondContact O-CB 3.25Å; G302-T306 PolarHBondContact O-N 3.11Å; G302-T306 PolarHBondContact O-OG1 3.11Å
303	I	91.6	Very high	92.7	Very high	14 Å²	14	38.3 Å²	38.3	7%	0.072	20%	0.199	C	C	.	.	H	α-helix	trans	-58.1	-56	173.6	-74.1	164.8	0	0	0	110.4	D98 L101 I139 R145 I299 K301 E305 T306 D307	D98-I303 HydrophobicContact CB-CD1 4.49Å; L101-I303 HydrophobicContact CD1-CD1 3.75Å; L101-I303 HydrophobicContact CD1-CG1 3.92Å; I139-I303 HydrophobicContact CG2-CG1 4.41Å; R145-I303 VanDerWaalsContact NH2-CG2 3.27Å; I299-I303 HydrophobicContact CG2-CD1 3.75Å; I299-I303 WeakPolarHBondContact O-CG1 3.09Å; I299-I303 PolarHBondContact O-N 3.37Å; K301-I303 PolarHBondContact O-N 3.02Å; I303-E305 VanDerWaalsContact C-N 3.33Å; I303-E305 PolarHBondContact O-N 3.28Å; I303-T306 PolarHBondContact O-N 2.81Å; I303-T306 VanDerWaalsContact O-N 3.13Å; I303-D307 PolarHBondContact O-N 3.42Å
304	K	92.1	Very high	92.8	Very high	108 Å²	108	39.2 Å²	39.2	47%	0.47	20%	0.201	S	C	.	.	H	α-helix	trans	-56.8	-47	-178.5	-179.2	-179.4	178	-178.6	0	111.8	K300 K301 T306 D307 E308	K300-K304 WeakPolarHBondContact O-CB 3.42Å; K300-K304 PolarHBondContact O-N 3.33Å; K301-K304 PolarHBondContact O-N 3.19Å; K304-T306 VanDerWaalsContact C-N 3.3Å; K304-T306 PolarHBondContact O-N 3.14Å; K304-D307 PolarHBondContact O-N 3.08Å; K304-E308 WeakPolarHBondContact CE-OE1 3.15Å; K304-E308 WeakPolarHBondContact CE-OE2 3.47Å; K304-E308 HydrophobicContact CG-CG 4.27Å; K304-E308 IonicContact NZ-OE1 3.24Å; K304-E308 WeakPolarHBondContact O-CB 3.2Å; K304-E308 WeakPolarHBondContact O-CG 3.49Å; K304-E308 PolarHBondContact O-N 3.14Å
305	E	94.2	Very high	92.9	Very high	13 Å²	13	41.5 Å²	41.5	6%	0.061	22%	0.221	C	C	.	.	H	α-helix	trans	-63.5	-37.6	-179.8	-165.4	68.9	-154.8	0	0	111.8	I172 K301 I303 D307 N309 I313	I172-E305 HydrophobicContact CB-CB 4.28Å; I172-E305 HydrophobicContact CB-CG 4.3Å; I172-E305 WeakPolarHBondContact O-CB 3.16Å; K301-E305 IonicContact NZ-OE2 3.87Å; K301-E305 PolarHBondContact NZ-OE2 3.08Å; K301-E305 VanDerWaalsContact O-CB 3.25Å; K301-E305 WeakPolarHBondContact O-CB 3.47Å; K301-E305 PolarHBondContact O-N 3.04Å; I303-E305 VanDerWaalsContact C-N 3.33Å; I303-E305 PolarHBondContact O-N 3.28Å; E305-D307 VanDerWaalsContact C-N 3.33Å; E305-N309 WeakPolarHBondContact O-CB 3.2Å; E305-N309 PolarHBondContact O-N 3.36Å; E305-N309 PolarHBondContact OE1-ND2 2.95Å; E305-I313 WeakPolarHBondContact O-CD1 3.45Å
306	T	93.2	Very high	92.9	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.006	23%	0.233	C	C	.	.	H	α-helix	trans	-67.9	-35.8	177.8	-55.1	0	0	0	0	112	L140 R145 F149 G302 I303 K304	L140-T306 HydrophobicContact CD2-CG2 4.05Å; R145-T306 HydrophobicContact CG-CG2 4.32Å; F149-T306 HydrophobicContact CE2-CG2 3.36Å; F149-T306 HydrophobicContact CZ-CG2 3.41Å; F149-T306 VanDerWaalsContact CZ-CG2 3.41Å; G302-T306 WeakPolarHBondContact O-CB 3.25Å; G302-T306 PolarHBondContact O-N 3.11Å; G302-T306 PolarHBondContact O-OG1 3.11Å; I303-T306 PolarHBondContact O-N 2.81Å; I303-T306 VanDerWaalsContact O-N 3.13Å; K304-T306 VanDerWaalsContact C-N 3.3Å; K304-T306 PolarHBondContact O-N 3.14Å
307	D	90.2	Very high	93	Very high	73 Å²	73	43 Å²	43	39%	0.39	23%	0.228	S	C	.	.	H	α-helix	trans	-79.9	-36.8	179.7	-64.1	-24.7	0	0	0	112.1	R145 I303 K304 E305	R145-D307 IonicContact CZ-OD1 3.07Å; R145-D307 IonicContact NE-OD1 2.7Å; R145-D307 PolarHBondContact NE-OD1 3.49Å; R145-D307 IonicContact NH2-OD1 3.9Å; R145-D307 IonicContact NH2-OD2 2.75Å; R145-D307 PolarHBondContact NH2-OD2 3.03Å; I303-D307 PolarHBondContact O-N 3.42Å; K304-D307 PolarHBondContact O-N 3.08Å; E305-D307 VanDerWaalsContact C-N 3.33Å
308	E	92.8	Very high	92.9	Very high	120 Å²	120	46.7 Å²	46.7	56%	0.561	25%	0.245	S	C	*	.	H	α-helix	trans	-82.1	-33.8	-178.8	-70.1	179.2	169.7	0	0	113.5	K304	K304-E308 WeakPolarHBondContact CE-OE1 3.15Å; K304-E308 WeakPolarHBondContact CE-OE2 3.47Å; K304-E308 HydrophobicContact CG-CG 4.27Å; K304-E308 IonicContact NZ-OE1 3.24Å; K304-E308 WeakPolarHBondContact O-CB 3.2Å; K304-E308 WeakPolarHBondContact O-CG 3.49Å; K304-E308 PolarHBondContact O-N 3.14Å
309	N	93.7	Very high	92.8	Very high	50 Å²	50	50.1 Å²	50.1	27%	0.267	26%	0.26	S	S	.	.	S	Bend	trans	-116.7	29.4	-172.3	-67.7	-52.4	0	0	0	113.6	E305 A311 L312 I313	E305-N309 WeakPolarHBondContact O-CB 3.2Å; E305-N309 PolarHBondContact O-N 3.36Å; E305-N309 PolarHBondContact OE1-ND2 2.95Å; N309-A311 PolarHBondContact O-N 3.31Å; N309-L312 PolarHBondContact O-N 3.12Å; N309-L312 VanDerWaalsContact O-N 3.08Å; N309-I313 HydrophobicContact CB-CD1 4.44Å; N309-I313 WeakPolarHBondContact O-CG1 3.24Å; N309-I313 PolarHBondContact O-N 2.78Å
310	E	92.3	Very high	92.6	Very high	69 Å²	69	52.6 Å²	52.6	32%	0.322	27%	0.27	S	S	.	.	H	α-helix	trans	-47.3	-53.6	-176.2	-174.8	177.9	148.7	0	0	113.3	K148 F149 L312 I313 Q314	K148-E310 WeakPolarHBondContact CD-OE2 3.41Å; K148-E310 WeakPolarHBondContact CE-OE2 3.36Å; K148-E310 IonicContact NZ-OE2 2.8Å; K148-E310 PolarHBondContact NZ-OE2 3.31Å; F149-E310 HydrophobicContact CE1-CG 3.88Å; F149-E310 HydrophobicContact CZ-CG 4.1Å; E310-L312 VanDerWaalsContact C-N 3.3Å; E310-L312 PolarHBondContact O-N 3.25Å; E310-I313 PolarHBondContact O-N 3.44Å; E310-Q314 WeakPolarHBondContact O-CB 3.37Å; E310-Q314 PolarHBondContact O-N 3.47Å
311	A	93.1	Very high	92.5	Very high	83 Å²	83	50.7 Å²	50.7	69%	0.686	26%	0.264	S	S	*	.	H	α-helix	trans	-62.9	-36.2	-177.3	0	0	0	0	0	113.1	N309 A315	N309-A311 PolarHBondContact O-N 3.31Å; A311-A315 WeakPolarHBondContact O-CB 3.39Å; A311-A315 PolarHBondContact O-N 2.7Å
312	L	94	Very high	91.6	Very high	91 Å²	91	55.9 Å²	55.9	48%	0.476	28%	0.282	S	S	.	.	H	α-helix	trans	-73.1	-39.7	179.3	178.5	140.3	0	0	0	111.1	N309 E310 A315 K316	N309-L312 PolarHBondContact O-N 3.12Å; N309-L312 VanDerWaalsContact O-N 3.08Å; E310-L312 VanDerWaalsContact C-N 3.3Å; E310-L312 PolarHBondContact O-N 3.25Å; L312-A315 PolarHBondContact O-N 2.88Å; L312-K316 HydrophobicContact CD2-CD 3.8Å; L312-K316 HydrophobicContact CG-CD 4.49Å; L312-K316 VanDerWaalsContact O-CG 3.3Å; L312-K316 WeakPolarHBondContact O-CG 3.35Å; L312-K316 PolarHBondContact O-N 2.86Å; L312-K316 VanDerWaalsContact O-N 3.08Å
313	I	94.3	Very high	90.1	Very high	2 Å²	2	63 Å²	63	1%	0.01	31%	0.309	C	S	.	.	H	α-helix	trans	-64.2	-45.2	174	-68.2	165.1	0	0	0	110.3	L140 F149 V170 I172 E305 N309 E310 A315 K316 L317	L140-I313 HydrophobicContact CD2-CG2 3.87Å; F149-I313 HydrophobicContact CD1-CG2 4.21Å; F149-I313 HydrophobicContact CE1-CB 4.04Å; F149-I313 HydrophobicContact CE1-CG2 3.72Å; F149-I313 HydrophobicContact CZ-CG2 4.09Å; V170-I313 HydrophobicContact CG1-CG2 4.22Å; I172-I313 HydrophobicContact CG2-CD1 3.89Å; E305-I313 WeakPolarHBondContact O-CD1 3.45Å; N309-I313 HydrophobicContact CB-CD1 4.44Å; N309-I313 WeakPolarHBondContact O-CG1 3.24Å; N309-I313 PolarHBondContact O-N 2.78Å; E310-I313 PolarHBondContact O-N 3.44Å; I313-A315 PolarHBondContact O-N 2.68Å; I313-K316 WeakPolarHBondContact O-CB 3.29Å; I313-K316 PolarHBondContact O-N 3.29Å; I313-K316 VanDerWaalsContact O-N 3.16Å; I313-L317 HydrophobicContact CG2-CD1 4.02Å; I313-L317 HydrophobicContact CG2-CG 4.36Å; I313-L317 WeakPolarHBondContact O-CG 3.1Å; I313-L317 PolarHBondContact O-N 2.89Å
314	Q	92.5	Very high	87.9	Confident	41 Å²	41	69.9 Å²	69.9	19%	0.192	35%	0.346	C	S	.	.	H	α-helix	trans	-57.9	-48.1	176.5	-179.6	61.5	11.2	0	0	111.5	F149 E310 K316 L317 E318	F149-Q314 HydrophobicContact CD1-CB 4.22Å; F149-Q314 PolarHBondContact O-NE2 3.46Å; F149-Q314 PolarHBondContact O-OE1 3.21Å; F149-Q314 VanDerWaalsContact O-OE1 3.12Å; E310-Q314 WeakPolarHBondContact O-CB 3.37Å; E310-Q314 PolarHBondContact O-N 3.47Å; Q314-K316 VanDerWaalsContact C-N 3.28Å; Q314-K316 PolarHBondContact O-N 3.39Å; Q314-L317 PolarHBondContact O-N 2.92Å; Q314-E318 PolarHBondContact NE2-OE1 3Å; Q314-E318 WeakPolarHBondContact O-CB 3.38Å; Q314-E318 WeakPolarHBondContact O-CG 2.91Å; Q314-E318 PolarHBondContact O-N 3.32Å
315	A	93	Very high	85.2	Confident	57 Å²	57	73.4 Å²	73.4	47%	0.471	36%	0.361	S	S	.	.	H	α-helix	trans	-61.1	-36.3	178	0	0	0	0	0	112.7	A311 L312 I313 K319	A311-A315 WeakPolarHBondContact O-CB 3.39Å; A311-A315 PolarHBondContact O-N 2.7Å; L312-A315 PolarHBondContact O-N 2.88Å; I313-A315 PolarHBondContact O-N 2.68Å; A315-K319 VanDerWaalsContact O-CB 3.32Å; A315-K319 WeakPolarHBondContact O-CB 3.47Å; A315-K319 PolarHBondContact O-N 3.32Å
316	K	93.2	Very high	82.6	Confident	61 Å²	61	79.2 Å²	79.2	27%	0.265	40%	0.401	S	S	.	.	H	α-helix	trans	-67.5	-48.3	174.4	-73.1	166.4	167.2	-170.1	0	111.3	S169 V170 L312 I313 Q314 E318 K319 F320	S169-K316 WeakPolarHBondContact O-CD 3.17Å; S169-K316 WeakPolarHBondContact O-CE 3.12Å; S169-K316 PolarHBondContact O-NZ 3.34Å; V170-K316 HydrophobicContact CG2-CB 4.39Å; L312-K316 HydrophobicContact CD2-CD 3.8Å; L312-K316 HydrophobicContact CG-CD 4.49Å; L312-K316 VanDerWaalsContact O-CG 3.3Å; L312-K316 WeakPolarHBondContact O-CG 3.35Å; L312-K316 PolarHBondContact O-N 2.86Å; L312-K316 VanDerWaalsContact O-N 3.08Å; I313-K316 WeakPolarHBondContact O-CB 3.29Å; I313-K316 PolarHBondContact O-N 3.29Å; I313-K316 VanDerWaalsContact O-N 3.16Å; Q314-K316 VanDerWaalsContact C-N 3.28Å; Q314-K316 PolarHBondContact O-N 3.39Å; K316-E318 VanDerWaalsContact C-N 3.33Å; K316-E318 PolarHBondContact O-N 3.23Å; K316-K319 WeakPolarHBondContact O-CB 2.92Å; K316-K319 PolarHBondContact O-N 3.42Å; K316-F320 VanDerWaalsContact O-CD2 3.28Å; K316-F320 WeakPolarHBondContact O-CD2 3.34Å; K316-F320 PolarHBondContact O-N 3.22Å
317	L	92.8	Very high	80.4	Confident	0 Å²	0	85.9 Å²	85.9	0%	0	43%	0.425	C	S	.	.	H	α-helix	trans	-58.2	-45.2	175.9	-70.1	174.1	0	0	0	111.2	F149 Y151 L156 F160 V170 I313 Q314 K319 F320 C321	F149-L317 HydrophobicContact CB-CD1 4.03Å; F149-L317 HydrophobicContact CD1-CD1 4.11Å; F149-L317 HydrophobicContact CG-CD1 4.1Å; Y151-L317 HydrophobicContact CD2-CB 4.24Å; Y151-L317 HydrophobicContact CD2-CD1 4.17Å; Y151-L317 HydrophobicContact CE2-CB 3.72Å; Y151-L317 HydrophobicContact CE2-CD1 4.44Å; Y151-L317 PolarHBondContact OH-O 2.85Å; L156-L317 HydrophobicContact CD2-CD2 3.7Å; F160-L317 HydrophobicContact CE1-CD2 4.4Å; V170-L317 HydrophobicContact CG2-CD2 3.62Å; V170-L317 HydrophobicContact CG2-CG 4.1Å; I313-L317 HydrophobicContact CG2-CD1 4.02Å; I313-L317 HydrophobicContact CG2-CG 4.36Å; I313-L317 WeakPolarHBondContact O-CG 3.1Å; I313-L317 PolarHBondContact O-N 2.89Å; Q314-L317 PolarHBondContact O-N 2.92Å; L317-K319 VanDerWaalsContact C-N 3.25Å; L317-K319 PolarHBondContact O-N 3.14Å; L317-F320 PolarHBondContact O-N 3.31Å; L317-C321 WeakPolarHBondContact O-CA 3.29Å; L317-C321 WeakPolarHBondContact O-CB 3.33Å; L317-C321 PolarHBondContact O-N 3.06Å
318	E	91.4	Very high	78.1	Confident	94 Å²	94	88.8 Å²	88.8	44%	0.439	45%	0.446	S	S	.	.	H	α-helix	trans	-66.2	-24	174.7	-73.7	-179.1	-172.3	0	0	113.8	Q314 K316 R322	Q314-E318 PolarHBondContact NE2-OE1 3Å; Q314-E318 WeakPolarHBondContact O-CB 3.38Å; Q314-E318 WeakPolarHBondContact O-CG 2.91Å; Q314-E318 PolarHBondContact O-N 3.32Å; K316-E318 VanDerWaalsContact C-N 3.33Å; K316-E318 PolarHBondContact O-N 3.23Å; E318-R322 WeakPolarHBondContact O-CD 3.39Å; E318-R322 WeakPolarHBondContact O-CG 3.36Å; E318-R322 PolarHBondContact O-NE 3.3Å
319	K	90.8	Very high	75.5	Confident	73 Å²	73	91 Å²	91	32%	0.317	46%	0.461	S	S	.	.	H	α-helix	trans	-78.9	-45.4	174.8	-175.1	178.4	174.5	-176.2	0	110.5	A315 K316 L317 R327 T332	A315-K319 VanDerWaalsContact O-CB 3.32Å; A315-K319 WeakPolarHBondContact O-CB 3.47Å; A315-K319 PolarHBondContact O-N 3.32Å; K316-K319 WeakPolarHBondContact O-CB 2.92Å; K316-K319 PolarHBondContact O-N 3.42Å; L317-K319 VanDerWaalsContact C-N 3.25Å; L317-K319 PolarHBondContact O-N 3.14Å; K319-R327 PolarHBondContact O-NH1 3.2Å; K319-T332 PolarHBondContact NZ-OG1 2.69Å
320	F	90.3	Very high	73	Confident	52 Å²	52	97.2 Å²	97.2	23%	0.228	49%	0.488	C	S	.	.	H	α-helix	trans	-98.4	-25.4	-168.4	-69.6	-83.3	0	0	0	114.3	N163 F165 A166 S169 K316 L317	N163-F320 PolarHBondContact ND2-O 3.32Å; F165-F320 HydrophobicContact CB-CD1 4.19Å; F165-F320 HydrophobicContact CB-CE1 3.96Å; A166-F320 HydrophobicContact CB-CB 3.86Å; S169-F320 WeakPolarHBondContact OG-CD2 3.4Å; S169-F320 WeakPolarHBondContact OG-CE2 3.19Å; K316-F320 VanDerWaalsContact O-CD2 3.28Å; K316-F320 WeakPolarHBondContact O-CD2 3.34Å; K316-F320 PolarHBondContact O-N 3.22Å; L317-F320 PolarHBondContact O-N 3.31Å
321	C	88.7	Confident	70.6	Confident	16 Å²	16	100 Å²	100	11%	0.108	51%	0.511	C	S	.	.	S	Bend	trans	-108	19.6	-177.2	-57.2	0	0	0	0	114.2	Y151 C159 L317 R323	Y151-C321 HydrophobicContact CE1-CB 3.78Å; C159-C321 HydrophobicContact CB-CB 3.62Å; C159-C321 WeakPolarHBondContact CB-SG 3.44Å; C159-C321 WeakPolarHBondContact SG-CA 3.28Å; C159-C321 WeakPolarHBondContact SG-CB 3.09Å; C159-C321 CovalentContact SG-SG 2.02Å; C159-C321 PolarHBondContact SG-SG 3.12Å; L317-C321 WeakPolarHBondContact O-CA 3.29Å; L317-C321 WeakPolarHBondContact O-CB 3.33Å; L317-C321 PolarHBondContact O-N 3.06Å; C321-R323 PolarHBondContact O-N 3.38Å
322	R	74.3	Confident	67.8	Low	156 Å²	156	100.9 Å²	100.9	59%	0.589	51%	0.507	S	S	*	.			trans	-47.6	128	-173	-76.3	-168	171.7	178	-6.6	113.2	E318 N324	E318-R322 WeakPolarHBondContact O-CD 3.39Å; E318-R322 WeakPolarHBondContact O-CG 3.36Å; E318-R322 PolarHBondContact O-NE 3.3Å; R322-N324 PolarHBondContact O-N 3.27Å
323	R	63.4	Low	65.1	Low	149 Å²	149	102.8 Å²	102.8	56%	0.562	52%	0.523	S	S	*	.	S	Bend	trans	-63.9	105.7	164.2	-69.8	-179.9	178	117.3	-5.2	108.2	G150 E155 C321	G150-R323 PolarHBondContact O-NH1 3.01Å; G150-R323 PolarHBondContact O-NH2 2.73Å; E155-R323 IonicContact OE1-CZ 3.04Å; E155-R323 VanDerWaalsContact OE1-CZ 3.29Å; E155-R323 IonicContact OE1-NE 2.72Å; E155-R323 PolarHBondContact OE1-NE 3.06Å; E155-R323 VanDerWaalsContact OE1-NE 3.07Å; E155-R323 IonicContact OE1-NH2 3.29Å; E155-R323 PolarHBondContact OE1-NH2 3.47Å; E155-R323 IonicContact OE2-NH2 3.08Å; E155-R323 PolarHBondContact OE2-NH2 3.39Å; C321-R323 PolarHBondContact O-N 3.38Å
324	N	45.1	Very low	62.4	Low	158 Å²	158	107.2 Å²	107.2	85%	0.845	55%	0.554	S	S	*	*	S	Bend	trans	46.8	83.8	165.8	-59.4	-31.2	0	0	0	116.8	R322	R322-N324 PolarHBondContact O-N 3.27Å
325	K	35.8	Very low	59.7	Low	182 Å²	182	112.6 Å²	112.6	79%	0.791	58%	0.583	S	S	*	*			trans	-157.5	124.3	136.4	-106.2	169.1	-168.9	-178.7	0	108.9	R327	K325-R327 PolarHBondContact O-N 2.64Å
326	P	39.4	Very low	56.8	Low	136 Å²	136	120 Å²	120	88%	0.883	61%	0.605	S	S	*	*			trans	-63.8	134.1	-175.3	25.9	-32.2	0	0	0	110.2
327	R	46.7	Very low	53.8	Low	140 Å²	140	121.4 Å²	121.4	53%	0.528	62%	0.623	S	S	.	*			trans	-109.2	124.9	-171.7	-154.1	179.6	-173.9	159.1	2.9	109.9	K319 K325	K319-R327 PolarHBondContact O-NH1 3.2Å; K325-R327 PolarHBondContact O-N 2.64Å
328	T	41.9	Very low	50.9	Low	134 Å²	134	128.4 Å²	128.4	82%	0.822	66%	0.66	S	S	*	*			trans	-74.7	130.5	157.4	20.2	0	0	0	0	108.6	Q330	T328-Q330 PolarHBondContact O-N 2.89Å
329	L	39.5	Very low	48.2	Very low	168 Å²	168	128.5 Å²	128.5	88%	0.88	66%	0.664	S	S	*	*			trans	-62.8	128.5	-179.6	-82	99.8	0	0	0	110.7
330	Q	41.2	Very low	45.3	Very low	179 Å²	179	132.1 Å²	132.1	84%	0.836	69%	0.686	S	S	*	*			trans	-118.2	116.1	150.3	-77.1	-174.8	-7.1	0	0	107.2	T328 T332	T328-Q330 PolarHBondContact O-N 2.89Å; Q330-T332 PolarHBondContact O-N 2.98Å
331	T	40.3	Very low	42.6	Very low	129 Å²	129	132.4 Å²	132.4	79%	0.791	70%	0.703	S	S	*	*			trans	-46.7	119.1	174.8	-2.7	0	0	0	0	109.6
332	T	36.2	Very low	40	Very low	100 Å²	100	139 Å²	139	61%	0.613	74%	0.738	S	S	*	*			trans	-120.5	86.7	168.4	25.5	0	0	0	0	108.2	K319 Q330	K319-T332 PolarHBondContact NZ-OG1 2.69Å; Q330-T332 PolarHBondContact O-N 2.98Å
333	T	36.4	Very low	38.5	Very low	131 Å²	131	135.4 Å²	135.4	80%	0.804	73%	0.73	S	S	*	*			trans	-82.9	103.8	162.7	-32.4	0	0	0	0	106.5
334	S	36.8	Very low	37.4	Very low	96 Å²	96	136 Å²	136	67%	0.671	74%	0.739	S	S	*	*			trans	161.8	151.7	159	45.3	0	0	0	0	109.2
335	L	36.5	Very low	37.2	Very low	154 Å²	154	133.9 Å²	133.9	81%	0.806	73%	0.732	S	S	*	*			trans	95.1	50.7	179.8	-49.4	168.3	0	0	0	115.2
336	F	31.3	Very low	37.5	Very low	211 Å²	211	127.8 Å²	127.8	93%	0.925	71%	0.708	S	S	*	*			trans	-88.8	102.7	140.6	-65.9	-78.9	0	0	0	106.4
337	S	30.8	Very low	37.9	Very low	92 Å²	92	124.6 Å²	124.6	64%	0.643	68%	0.683	S	S	*	*			trans	-127.9	102.2	176.3	-58.2	0	0	0	0	109.2	L339	S337-L339 PolarHBondContact O-N 2.99Å
338	N	32.5	Very low	37.9	Very low	146 Å²	146	124.8 Å²	124.8	78%	0.781	69%	0.69	S	S	*	*			trans	1.3	100.2	158.7	-59	-12.2	0	0	0	116.3	N340	N338-N340 PolarHBondContact O-N 3.32Å
339	L	33.6	Very low	38.3	Very low	97 Å²	97	122.9 Å²	122.9	51%	0.508	68%	0.679	S	S	.	*			trans	-89.3	84.8	160.3	-74.2	170.2	0	0	0	108.7	S337 G341	S337-L339 PolarHBondContact O-N 2.99Å; L339-G341 VanDerWaalsContact C-N 3.31Å; L339-G341 PolarHBondContact O-N 2.99Å
340	N	31.7	Very low	38.7	Very low	149 Å²	149	115.7 Å²	115.7	80%	0.797	64%	0.641	S	S	*	*			trans	-72.9	87.7	166.7	-75.9	-11.9	0	0	0	108.8	N338	N338-N340 PolarHBondContact O-N 3.32Å
341	G	33.3	Very low	39.3	Very low	57 Å²	57	110.9 Å²	110.9	59%	0.588	63%	0.627	S	S	*	*			trans	-98.4	113.4	174	0	0	0	0	0	111.2	L339 D343	L339-G341 VanDerWaalsContact C-N 3.31Å; L339-G341 PolarHBondContact O-N 2.99Å; G341-D343 PolarHBondContact O-N 3.38Å; G341-D343 VanDerWaalsContact O-N 3.15Å
342	N	33.3	Very low	39.8	Very low	154 Å²	154	109.4 Å²	109.4	82%	0.824	61%	0.614	S	S	*	*			trans	-57.9	110.7	175.6	-69.5	-27	0	0	0	111.6	H344	N342-H344 PolarHBondContact O-N 3.26Å
343	D	41.9	Very low	40.5	Very low	82 Å²	82	107.7 Å²	107.7	44%	0.439	60%	0.597	S	S	.	*			trans	-89.6	12.2	-172	-166.5	28.3	0	0	0	114.2	G341 N347	G341-D343 PolarHBondContact O-N 3.38Å; G341-D343 VanDerWaalsContact O-N 3.15Å; D343-N347 PolarHBondContact O-ND2 3.06Å
344	H	40.4	Very low	41.3	Very low	161 Å²	161	103.9 Å²	103.9	75%	0.745	57%	0.571	S	S	*	*	H	α-helix	trans	-79.8	-30.3	-171.8	-85.8	-60.6	0	0	0	114.6	N342 L346 N347	N342-H344 PolarHBondContact O-N 3.26Å; H344-L346 PolarHBondContact O-N 2.97Å; H344-N347 PolarHBondContact O-N 3.14Å
345	T	41.3	Very low	42.1	Very low	113 Å²	113	105.7 Å²	105.7	69%	0.693	57%	0.569	S	S	*	*	H	α-helix	trans	-76.5	-21.6	-175.7	46.8	0	0	0	0	114.1
346	L	41.6	Very low	42.8	Very low	55 Å²	55	103.5 Å²	103.5	29%	0.288	56%	0.558	S	S	.	*	H	α-helix	trans	-77.9	-23.2	176.7	-70.6	170.4	0	0	0	112.8	H344 T349 L350	H344-L346 PolarHBondContact O-N 2.97Å; L346-T349 PolarHBondContact O-OG1 3.44Å; L346-L350 WeakPolarHBondContact O-CB 3.25Å
347	N	49	Very low	44.3	Very low	68 Å²	68	95.8 Å²	95.8	36%	0.364	53%	0.526	S	S	.	.	H	α-helix	trans	-80.9	-25.7	-176	-76.1	-39	0	0	0	113.9	D343 H344 S351	D343-N347 PolarHBondContact O-ND2 3.06Å; H344-N347 PolarHBondContact O-N 3.14Å; N347-S351 PolarHBondContact O-N 2.9Å; N347-S351 VanDerWaalsContact O-N 3.08Å; N347-S351 PolarHBondContact O-OG 3.15Å
348	E	46.5	Very low	46.2	Very low	145 Å²	145	93.9 Å²	93.9	68%	0.678	51%	0.511	S	S	*	.	H	α-helix	trans	-80.3	-43.4	-174.8	-165.8	174.2	-177.5	0	0	112.8	L350 S351	E348-L350 PolarHBondContact O-N 3.22Å; E348-S351 PolarHBondContact O-N 2.83Å
349	T	49.9	Very low	48.7	Very low	94 Å²	94	93.3 Å²	93.3	58%	0.577	50%	0.504	S	S	*	.	H	α-helix	trans	-60.3	-33.5	170.9	37.1	0	0	0	0	111.7	L346 Y353	L346-T349 PolarHBondContact O-OG1 3.44Å; T349-Y353 PolarHBondContact O-N 3.1Å
350	L	48.9	Very low	51.2	Low	17 Å²	17	92.7 Å²	92.7	9%	0.089	50%	0.498	C	S	.	.	H	α-helix	trans	-76.8	-39.3	-177.9	-173.5	76	0	0	0	113.9	F90 T293 L346 E348 N352 Y353 L354	F90-L350 HydrophobicContact CE1-CD1 4.17Å; F90-L350 HydrophobicContact CE2-CD1 4.32Å; F90-L350 HydrophobicContact CZ-CD1 3.8Å; T293-L350 HydrophobicContact CG2-CD1 4.29Å; T293-L350 HydrophobicContact CG2-CD2 3.27Å; T293-L350 HydrophobicContact CG2-CG 4.38Å; L346-L350 WeakPolarHBondContact O-CB 3.25Å; E348-L350 PolarHBondContact O-N 3.22Å; L350-N352 PolarHBondContact O-N 3.36Å; L350-Y353 PolarHBondContact O-N 3.44Å; L350-L354 PolarHBondContact O-N 2.76Å
351	S	53.5	Low	53.8	Low	77 Å²	77	87.4 Å²	87.4	54%	0.538	47%	0.467	S	S	.	.	H	α-helix	trans	-61.5	-35.2	175.8	-79.4	0	0	0	0	112.3	N347 E348 Y353	N347-S351 PolarHBondContact O-N 2.9Å; N347-S351 VanDerWaalsContact O-N 3.08Å; N347-S351 PolarHBondContact O-OG 3.15Å; E348-S351 PolarHBondContact O-N 2.83Å; S351-Y353 VanDerWaalsContact C-N 3.27Å; S351-Y353 PolarHBondContact O-N 2.92Å
352	N	50.2	Low	56.5	Low	98 Å²	98	88.1 Å²	88.1	52%	0.524	46%	0.458	S	S	.	.	H	α-helix	trans	-71.3	-23.2	174.7	-69.3	-23	0	0	0	112.2	L350 Q355	L350-N352 PolarHBondContact O-N 3.36Å; N352-Q355 WeakPolarHBondContact O-CB 3.18Å
353	Y	50.7	Low	59.4	Low	64 Å²	64	86.8 Å²	86.8	25%	0.251	44%	0.444	S	S	.	.	H	α-helix	trans	-93.2	-32.1	-174.2	-139.7	-80.7	0	0	0	114.1	F90 T93 T349 L350 S351 Q355 L356	F90-Y353 AromaticContact CD1-CD1 3.75Å; F90-Y353 HydrophobicContact CD1-CD1 3.75Å; F90-Y353 HydrophobicContact CD1-CE1 4.32Å; F90-Y353 HydrophobicContact CD1-CG 4.38Å; F90-Y353 AromaticContact CE1-CD1 3.81Å; F90-Y353 HydrophobicContact CE1-CD1 3.81Å; F90-Y353 HydrophobicContact CE1-CG 4.37Å; T93-Y353 HydrophobicContact CG2-CE1 4.36Å; T93-Y353 HydrophobicContact CG2-CE2 3.49Å; T93-Y353 VanDerWaalsContact CG2-CE2 3.49Å; T93-Y353 WeakPolarHBondContact CG2-OH 3.35Å; T349-Y353 PolarHBondContact O-N 3.1Å; L350-Y353 PolarHBondContact O-N 3.44Å; S351-Y353 VanDerWaalsContact C-N 3.27Å; S351-Y353 PolarHBondContact O-N 2.92Å; Y353-Q355 PolarHBondContact O-N 2.83Å; Y353-L356 HydrophobicContact CD1-CB 4.44Å; Y353-L356 HydrophobicContact CD1-CD1 3.92Å; Y353-L356 HydrophobicContact CD2-CD1 3.7Å; Y353-L356 HydrophobicContact CE1-CB 4.23Å; Y353-L356 HydrophobicContact CE1-CD1 3.58Å; Y353-L356 HydrophobicContact CE2-CD1 3.32Å; Y353-L356 HydrophobicContact CG-CD1 3.95Å; Y353-L356 WeakPolarHBondContact O-CB 3.39Å; Y353-L356 PolarHBondContact O-N 2.76Å; Y353-L356 WeakPolarHBondContact OH-CD1 3.5Å
354	L	53.2	Low	61.8	Low	52 Å²	52	83.2 Å²	83.2	27%	0.272	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-18	166.4	-75.5	167	0	0	0	111.9	L86 L350 L356 T358 Y361	L86-L354 HydrophobicContact CD2-CD2 4.07Å; L350-L354 PolarHBondContact O-N 2.76Å; L354-L356 VanDerWaalsContact C-N 3.28Å; L354-L356 PolarHBondContact O-N 2.82Å; L354-T358 PolarHBondContact O-N 3.32Å; L354-T358 PolarHBondContact O-OG1 3.14Å; L354-Y361 HydrophobicContact CD2-CD1 4.36Å; L354-Y361 HydrophobicContact CD2-CE1 4.29Å
355	Q	53.6	Low	64.3	Low	133 Å²	133	77.1 Å²	77.1	62%	0.621	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-17.3	171.4	-60	-179.4	6.2	0	0	114.2	N352 Y353 T358	N352-Q355 WeakPolarHBondContact O-CB 3.18Å; Y353-Q355 PolarHBondContact O-N 2.83Å; Q355-T358 WeakPolarHBondContact CA-OG1 3.14Å; Q355-T358 PolarHBondContact O-OG1 3.36Å
356	L	52.4	Low	66.9	Low	108 Å²	108	76.6 Å²	76.6	57%	0.565	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.5	-28.3	-175.3	-72.8	161.1	0	0	0	113.4	Y353 L354	Y353-L356 HydrophobicContact CD1-CB 4.44Å; Y353-L356 HydrophobicContact CD1-CD1 3.92Å; Y353-L356 HydrophobicContact CD2-CD1 3.7Å; Y353-L356 HydrophobicContact CE1-CB 4.23Å; Y353-L356 HydrophobicContact CE1-CD1 3.58Å; Y353-L356 HydrophobicContact CE2-CD1 3.32Å; Y353-L356 HydrophobicContact CG-CD1 3.95Å; Y353-L356 WeakPolarHBondContact O-CB 3.39Å; Y353-L356 PolarHBondContact O-N 2.76Å; Y353-L356 WeakPolarHBondContact OH-CD1 3.5Å; L354-L356 VanDerWaalsContact C-N 3.28Å; L354-L356 PolarHBondContact O-N 2.82Å
357	N	61.1	Low	69.5	Low	49 Å²	49	75.7 Å²	75.7	26%	0.262	39%	0.385	S	S	.	.	S	Bend	trans	-114.9	25.9	175.8	-75.9	-12.6	0	0	0	112.9	L86 D89 E359 E360 Y361	L86-N357 HydrophobicContact CD1-CB 3.85Å; D89-N357 PolarHBondContact OD2-ND2 2.93Å; N357-E359 VanDerWaalsContact C-N 3.28Å; N357-E359 PolarHBondContact O-N 3.05Å; N357-E360 PolarHBondContact O-N 3.49Å; N357-Y361 PolarHBondContact O-N 3.49Å
358	T	71.3	Confident	71.8	Confident	53 Å²	53	73.3 Å²	73.3	33%	0.325	37%	0.372	S	S	.	.	H	α-helix	trans	-57	-38.6	-168.4	-49.6	0	0	0	0	113	L354 Q355 D362	L354-T358 PolarHBondContact O-N 3.32Å; L354-T358 PolarHBondContact O-OG1 3.14Å; Q355-T358 WeakPolarHBondContact CA-OG1 3.14Å; Q355-T358 PolarHBondContact O-OG1 3.36Å; T358-D362 VanDerWaalsContact CG2-OD2 3.25Å; T358-D362 WeakPolarHBondContact CG2-OD2 3.14Å; T358-D362 WeakPolarHBondContact O-CB 3.34Å; T358-D362 PolarHBondContact O-N 3.17Å
359	E	84.7	Confident	74.1	Confident	134 Å²	134	72.4 Å²	72.4	63%	0.626	37%	0.366	S	S	*	.	H	α-helix	trans	-67.3	-45.5	-174	-165	-171	161	0	0	113	N357 K363	N357-E359 VanDerWaalsContact C-N 3.28Å; N357-E359 PolarHBondContact O-N 3.05Å; E359-K363 HydrophobicContact CG-CD 4.47Å; E359-K363 WeakPolarHBondContact O-CB 3.24Å; E359-K363 WeakPolarHBondContact O-CG 3.04Å; E359-K363 PolarHBondContact O-N 3.12Å; E359-K363 WeakPolarHBondContact OE1-CE 3.25Å; E359-K363 IonicContact OE1-NZ 2.67Å; E359-K363 PolarHBondContact OE1-NZ 3.48Å
360	E	86.6	Confident	76.3	Confident	84 Å²	84	73.1 Å²	73.1	39%	0.393	36%	0.361	S	S	.	.	H	α-helix	trans	-70.5	-42.5	180	-173.2	173.3	-164.6	0	0	111.2	V82 N357 D362 K363 L364	V82-E360 HydrophobicContact CG1-CG 4.43Å; V82-E360 HydrophobicContact CG2-CG 4.12Å; N357-E360 PolarHBondContact O-N 3.49Å; E360-D362 PolarHBondContact O-N 3.03Å; E360-K363 WeakPolarHBondContact O-CB 3.43Å; E360-K363 PolarHBondContact O-N 2.05Å; E360-L364 PolarHBondContact O-N 3.49Å
361	Y	87.3	Confident	78.6	Confident	37 Å²	37	72.4 Å²	72.4	15%	0.145	36%	0.357	C	S	.	.	H	α-helix	trans	-64.5	-39.3	176.8	-168.3	-104.7	0	0	0	111.9	V82 L86 L354 N357 L364 N365	V82-Y361 HydrophobicContact CG1-CD2 4.34Å; L86-Y361 HydrophobicContact CD2-CD2 4.44Å; L354-Y361 HydrophobicContact CD2-CD1 4.36Å; L354-Y361 HydrophobicContact CD2-CE1 4.29Å; N357-Y361 PolarHBondContact O-N 3.49Å; Y361-L364 WeakPolarHBondContact O-CB 3.47Å; Y361-L364 PolarHBondContact O-N 2.01Å; Y361-N365 WeakPolarHBondContact CD1-ND2 3.49Å; Y361-N365 WeakPolarHBondContact CE1-ND2 3.14Å; Y361-N365 WeakPolarHBondContact O-CB 3.37Å; Y361-N365 PolarHBondContact O-N 2.97Å; Y361-N365 PolarHBondContact O-ND2 2.75Å
362	D	89.6	Confident	80.6	Confident	73 Å²	73	69.5 Å²	69.5	39%	0.39	34%	0.338	S	S	.	.	H	α-helix	trans	-66.7	-40.3	174.6	-77.8	-12.3	0	0	0	111.9	T358 E360 L364 N365 N366	T358-D362 VanDerWaalsContact CG2-OD2 3.25Å; T358-D362 WeakPolarHBondContact CG2-OD2 3.14Å; T358-D362 WeakPolarHBondContact O-CB 3.34Å; T358-D362 PolarHBondContact O-N 3.17Å; E360-D362 PolarHBondContact O-N 3.03Å; D362-L364 VanDerWaalsContact C-N 3.29Å; D362-L364 PolarHBondContact O-N 3.4Å; D362-N365 PolarHBondContact O-N 2.99Å; D362-N366 WeakPolarHBondContact O-CB 3.33Å; D362-N366 PolarHBondContact O-N 2.95Å; D362-N366 PolarHBondContact O-ND2 3.32Å
363	K	92.9	Very high	82.7	Confident	125 Å²	125	72.1 Å²	72.1	54%	0.543	34%	0.34	S	S	.	.	H	α-helix	trans	-58.4	-43.8	172.7	-77.9	169.3	-175.5	166.3	0	110.9	E359 E360 F367	E359-K363 HydrophobicContact CG-CD 4.47Å; E359-K363 WeakPolarHBondContact O-CB 3.24Å; E359-K363 WeakPolarHBondContact O-CG 3.04Å; E359-K363 PolarHBondContact O-N 3.12Å; E359-K363 WeakPolarHBondContact OE1-CE 3.25Å; E359-K363 IonicContact OE1-NZ 2.67Å; E359-K363 PolarHBondContact OE1-NZ 3.48Å; E360-K363 WeakPolarHBondContact O-CB 3.43Å; E360-K363 PolarHBondContact O-N 2.05Å; K363-F367 VanDerWaalsContact O-CB 3.31Å; K363-F367 WeakPolarHBondContact O-CB 3.43Å; K363-F367 PolarHBondContact O-N 3.16Å
364	L	93.6	Very high	84.9	Confident	8 Å²	8	71.4 Å²	71.4	4%	0.042	34%	0.341	C	S	.	.	H	α-helix	trans	-62	-50.5	175.5	176.4	66	0	0	0	111.7	K78 L79 V82 E360 Y361 D362 N366 F367 I368	K78-L364 HydrophobicContact CB-CD1 3.64Å; L79-L364 HydrophobicContact CD2-CD2 4.1Å; V82-L364 HydrophobicContact CB-CD2 3.81Å; V82-L364 HydrophobicContact CG1-CD2 3.88Å; V82-L364 HydrophobicContact CG2-CB 4.46Å; V82-L364 HydrophobicContact CG2-CD2 4.03Å; E360-L364 PolarHBondContact O-N 3.49Å; Y361-L364 WeakPolarHBondContact O-CB 3.47Å; Y361-L364 PolarHBondContact O-N 2.01Å; D362-L364 VanDerWaalsContact C-N 3.29Å; D362-L364 PolarHBondContact O-N 3.4Å; L364-N366 VanDerWaalsContact C-N 3.32Å; L364-N366 PolarHBondContact O-N 3.09Å; L364-F367 WeakPolarHBondContact O-CB 3.33Å; L364-F367 PolarHBondContact O-N 2.98Å; L364-F367 VanDerWaalsContact O-N 3.15Å; L364-I368 HydrophobicContact CD1-CD1 3.98Å; L364-I368 HydrophobicContact CD1-CG1 4.29Å; L364-I368 HydrophobicContact CG-CD1 3.97Å; L364-I368 WeakPolarHBondContact O-CG1 3.33Å; L364-I368 PolarHBondContact O-N 2.84Å
365	N	92.7	Very high	86.8	Confident	33 Å²	33	68.9 Å²	68.9	18%	0.176	33%	0.328	C	S	.	.	H	α-helix	trans	-61.2	-42.2	180	-74.9	-26.2	0	0	0	112	Y361 D362 F367 I368 K369	Y361-N365 WeakPolarHBondContact CD1-ND2 3.49Å; Y361-N365 WeakPolarHBondContact CE1-ND2 3.14Å; Y361-N365 WeakPolarHBondContact O-CB 3.37Å; Y361-N365 PolarHBondContact O-N 2.97Å; Y361-N365 PolarHBondContact O-ND2 2.75Å; D362-N365 PolarHBondContact O-N 2.99Å; N365-F367 VanDerWaalsContact C-N 3.33Å; N365-I368 PolarHBondContact O-N 3.31Å; N365-K369 WeakPolarHBondContact O-CB 3.02Å; N365-K369 VanDerWaalsContact O-CG 3.26Å; N365-K369 WeakPolarHBondContact O-CG 3.5Å; N365-K369 PolarHBondContact O-N 3.07Å
366	N	95.4	Very high	88.7	Confident	102 Å²	102	63.7 Å²	63.7	55%	0.545	30%	0.304	S	S	.	.	H	α-helix	trans	-65.2	-38.6	176	-73.3	-33.2	0	0	0	111.7	D362 L364 K370	D362-N366 WeakPolarHBondContact O-CB 3.33Å; D362-N366 PolarHBondContact O-N 2.95Å; D362-N366 PolarHBondContact O-ND2 3.32Å; L364-N366 VanDerWaalsContact C-N 3.32Å; L364-N366 PolarHBondContact O-N 3.09Å; N366-K370 VanDerWaalsContact O-CB 3.26Å; N366-K370 WeakPolarHBondContact O-CB 3.47Å; N366-K370 PolarHBondContact O-N 3.31Å
367	F	96.4	Very high	90.6	Very high	35 Å²	35	61 Å²	61	15%	0.154	29%	0.294	C	S	.	.	H	α-helix	trans	-60.8	-52.9	172.6	173.1	-99.2	0	0	0	111.3	N71 E74 I75 K78 K363 L364 N365 K369 K370 V371	N71-F367 HydrophobicContact CB-CE2 4.12Å; N71-F367 HydrophobicContact CB-CZ 4.02Å; N71-F367 WeakPolarHBondContact O-CZ 3.41Å; E74-F367 HydrophobicContact CB-CE1 4.39Å; E74-F367 HydrophobicContact CB-CZ 4.03Å; I75-F367 HydrophobicContact CG1-CE1 3.91Å; K78-F367 HydrophobicContact CD-CD1 3.81Å; K78-F367 HydrophobicContact CD-CE1 3.64Å; K78-F367 HydrophobicContact CD-CG 4.37Å; K78-F367 HydrophobicContact CD-CZ 4.07Å; K78-F367 VanDerWaalsContact NZ-CZ 3.3Å; K363-F367 VanDerWaalsContact O-CB 3.31Å; K363-F367 WeakPolarHBondContact O-CB 3.43Å; K363-F367 PolarHBondContact O-N 3.16Å; L364-F367 WeakPolarHBondContact O-CB 3.33Å; L364-F367 PolarHBondContact O-N 2.98Å; L364-F367 VanDerWaalsContact O-N 3.15Å; N365-F367 VanDerWaalsContact C-N 3.33Å; F367-K369 PolarHBondContact O-N 3.08Å; F367-K370 WeakPolarHBondContact O-CB 3.34Å; F367-K370 PolarHBondContact O-N 3.23Å; F367-K370 VanDerWaalsContact O-N 3.12Å; F367-V371 HydrophobicContact CD1-CG2 4.46Å; F367-V371 HydrophobicContact CD2-CG2 4.29Å; F367-V371 HydrophobicContact CE1-CG2 4.07Å; F367-V371 HydrophobicContact CE2-CG2 3.9Å; F367-V371 HydrophobicContact CZ-CG2 3.78Å; F367-V371 WeakPolarHBondContact O-CG2 3.43Å; F367-V371 PolarHBondContact O-N 3.28Å
368	I	96.4	Very high	92	Very high	18 Å²	18	58.7 Å²	58.7	9%	0.092	28%	0.282	C	S	.	.	H	α-helix	trans	-59.2	-47.5	179.9	-66.1	170.4	0	0	0	110.7	I75 L79 F283 L364 N365 K370 V371 A372	I75-I368 HydrophobicContact CG2-CG1 4.35Å; L79-I368 HydrophobicContact CD1-CD1 4.32Å; L79-I368 HydrophobicContact CD2-CD1 3.74Å; L79-I368 HydrophobicContact CG-CD1 3.97Å; F283-I368 HydrophobicContact CB-CG2 3.93Å; F283-I368 HydrophobicContact CD2-CG2 3.71Å; F283-I368 HydrophobicContact CG-CG2 4.06Å; L364-I368 HydrophobicContact CD1-CD1 3.98Å; L364-I368 HydrophobicContact CD1-CG1 4.29Å; L364-I368 HydrophobicContact CG-CD1 3.97Å; L364-I368 WeakPolarHBondContact O-CG1 3.33Å; L364-I368 PolarHBondContact O-N 2.84Å; N365-I368 PolarHBondContact O-N 3.31Å; I368-K370 VanDerWaalsContact C-N 3.28Å; I368-K370 PolarHBondContact O-N 3Å; I368-V371 PolarHBondContact O-N 3.29Å; I368-A372 WeakPolarHBondContact O-CB 3.27Å; I368-A372 PolarHBondContact O-N 3.32Å
369	K	95.7	Very high	92.9	Very high	126 Å²	126	56.6 Å²	56.6	55%	0.548	27%	0.269	S	S	.	.	H	α-helix	trans	-59.1	-39.3	176.5	-74.9	174.7	-178	176.3	0	112.2	N365 F367 R373	N365-K369 WeakPolarHBondContact O-CB 3.02Å; N365-K369 VanDerWaalsContact O-CG 3.26Å; N365-K369 WeakPolarHBondContact O-CG 3.5Å; N365-K369 PolarHBondContact O-N 3.07Å; F367-K369 PolarHBondContact O-N 3.08Å; K369-R373 VanDerWaalsContact O-CB 3.3Å; K369-R373 WeakPolarHBondContact O-CB 3.48Å; K369-R373 PolarHBondContact O-N 3.3Å
370	K	96.7	Very high	93	Very high	109 Å²	109	56 Å²	56	47%	0.474	27%	0.266	S	S	.	.	H	α-helix	trans	-65.1	-49.6	176.1	-175.7	-172.4	174.1	-164.2	0	111.2	N366 F367 I368 A372 R373 D374	N366-K370 VanDerWaalsContact O-CB 3.26Å; N366-K370 WeakPolarHBondContact O-CB 3.47Å; N366-K370 PolarHBondContact O-N 3.31Å; F367-K370 WeakPolarHBondContact O-CB 3.34Å; F367-K370 PolarHBondContact O-N 3.23Å; F367-K370 VanDerWaalsContact O-N 3.12Å; I368-K370 VanDerWaalsContact C-N 3.28Å; I368-K370 PolarHBondContact O-N 3Å; K370-A372 VanDerWaalsContact C-N 3.34Å; K370-A372 PolarHBondContact O-N 3.38Å; K370-R373 PolarHBondContact O-N 3.29Å; K370-D374 WeakPolarHBondContact O-CB 3.37Å; K370-D374 VanDerWaalsContact O-CG 3.24Å; K370-D374 PolarHBondContact O-N 3.18Å
371	V	96.8	Very high	93	Very high	2 Å²	2	54.5 Å²	54.5	1%	0.012	26%	0.261	C	S	.	.	H	α-helix	trans	-62.4	-43.5	179.7	-179.5	0	0	0	0	111.3	N71 F72 I75 F367 I368 R373 D374 L375	N71-V371 HydrophobicContact CB-CG1 4.29Å; N71-V371 HydrophobicContact CB-CG2 3.52Å; F72-V371 HydrophobicContact CB-CG1 4.17Å; I75-V371 HydrophobicContact CD1-CB 4.05Å; I75-V371 HydrophobicContact CD1-CG1 3.76Å; F367-V371 HydrophobicContact CD1-CG2 4.46Å; F367-V371 HydrophobicContact CD2-CG2 4.29Å; F367-V371 HydrophobicContact CE1-CG2 4.07Å; F367-V371 HydrophobicContact CE2-CG2 3.9Å; F367-V371 HydrophobicContact CZ-CG2 3.78Å; F367-V371 WeakPolarHBondContact O-CG2 3.43Å; F367-V371 PolarHBondContact O-N 3.28Å; I368-V371 PolarHBondContact O-N 3.29Å; V371-R373 VanDerWaalsContact C-N 3.33Å; V371-R373 PolarHBondContact O-N 3.42Å; V371-D374 PolarHBondContact O-N 3.09Å; V371-L375 WeakPolarHBondContact O-CB 3.35Å; V371-L375 PolarHBondContact O-N 3.03Å
372	A	95.3	Very high	93.1	Very high	16 Å²	16	52.9 Å²	52.9	13%	0.132	25%	0.254	C	S	.	.	H	α-helix	trans	-58.5	-45.2	175.1	0	0	0	0	0	111.5	F283 I368 K370 N376	F283-A372 HydrophobicContact CD2-CB 4.14Å; F283-A372 HydrophobicContact CE2-CB 3.88Å; I368-A372 WeakPolarHBondContact O-CB 3.27Å; I368-A372 PolarHBondContact O-N 3.32Å; K370-A372 VanDerWaalsContact C-N 3.34Å; K370-A372 PolarHBondContact O-N 3.38Å; A372-N376 VanDerWaalsContact O-CB 3.24Å; A372-N376 WeakPolarHBondContact O-CB 3.3Å; A372-N376 VanDerWaalsContact O-CG 3.23Å; A372-N376 PolarHBondContact O-N 3.31Å; A372-N376 PolarHBondContact O-ND2 3.34Å
373	R	95.2	Very high	92.8	Very high	153 Å²	153	53 Å²	53	58%	0.577	26%	0.255	S	S	*	.	H	α-helix	trans	-63.3	-49.5	177.5	-170.4	-172.3	-54.8	103	2.1	112.1	K369 K370 V371 L375 N376 S377	K369-R373 VanDerWaalsContact O-CB 3.3Å; K369-R373 WeakPolarHBondContact O-CB 3.48Å; K369-R373 PolarHBondContact O-N 3.3Å; K370-R373 PolarHBondContact O-N 3.29Å; V371-R373 VanDerWaalsContact C-N 3.33Å; V371-R373 PolarHBondContact O-N 3.42Å; R373-L375 VanDerWaalsContact C-N 3.32Å; R373-L375 PolarHBondContact O-N 3.37Å; R373-N376 PolarHBondContact O-N 3.48Å; R373-S377 WeakPolarHBondContact O-CB 3.19Å; R373-S377 PolarHBondContact O-N 2.75Å
374	D	95.8	Very high	92.5	Very high	49 Å²	49	51.2 Å²	51.2	26%	0.262	25%	0.251	S	S	.	.	H	α-helix	trans	-63	-41.5	-177.9	-66.1	-9.5	0	0	0	110.7	I68 K370 V371 Y378	I68-D374 HydrophobicContact CD1-CB 4.44Å; I68-D374 WeakPolarHBondContact CD1-O 3.24Å; I68-D374 HydrophobicContact CG1-CB 4.13Å; K370-D374 WeakPolarHBondContact O-CB 3.37Å; K370-D374 VanDerWaalsContact O-CG 3.24Å; K370-D374 PolarHBondContact O-N 3.18Å; V371-D374 PolarHBondContact O-N 3.09Å; D374-Y378 WeakPolarHBondContact O-CB 3.36Å; D374-Y378 PolarHBondContact O-N 3.06Å
375	L	94	Very high	92.3	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-65.9	-51.6	176.5	176.1	58.4	0	0	0	112.1	I68 F72 T194 L198 I281 V371 R373 S377 Y378 L379	I68-L375 HydrophobicContact CG2-CB 3.88Å; I68-L375 HydrophobicContact CG2-CD1 3.75Å; I68-L375 HydrophobicContact CG2-CG 4.34Å; F72-L375 HydrophobicContact CD2-CD2 3.86Å; F72-L375 HydrophobicContact CE2-CD2 4.14Å; T194-L375 HydrophobicContact CG2-CD2 3.84Å; L198-L375 HydrophobicContact CD1-CD1 4.22Å; L198-L375 HydrophobicContact CD2-CD1 3.75Å; L198-L375 HydrophobicContact CG-CD1 4.41Å; I281-L375 HydrophobicContact CB-CD2 4.23Å; I281-L375 HydrophobicContact CD1-CD1 4.41Å; I281-L375 HydrophobicContact CD1-CD2 3.55Å; I281-L375 HydrophobicContact CD1-CG 3.86Å; I281-L375 HydrophobicContact CG1-CD2 4.49Å; I281-L375 HydrophobicContact CG2-CD2 3.97Å; V371-L375 WeakPolarHBondContact O-CB 3.35Å; V371-L375 PolarHBondContact O-N 3.03Å; R373-L375 VanDerWaalsContact C-N 3.32Å; R373-L375 PolarHBondContact O-N 3.37Å; L375-S377 VanDerWaalsContact C-N 3.31Å; L375-S377 PolarHBondContact O-N 2.65Å; L375-Y378 PolarHBondContact O-N 2.95Å; L375-L379 HydrophobicContact CD1-CD1 3.93Å; L375-L379 HydrophobicContact CD1-CG 4.1Å; L375-L379 HydrophobicContact CG-CD1 4.22Å; L375-L379 WeakPolarHBondContact O-CG 3.34Å; L375-L379 PolarHBondContact O-N 2.76Å
376	N	92.5	Very high	92.1	Very high	24 Å²	24	56.1 Å²	56.1	13%	0.128	28%	0.277	C	S	.	.	H	α-helix	trans	-62.5	-40.5	179.8	-74.2	-38.8	0	0	0	111.1	I281 A372 R373 Y378 L379 Q380	I281-N376 PolarHBondContact N-OD1 3.34Å; I281-N376 PolarHBondContact O-ND2 2.86Å; A372-N376 VanDerWaalsContact O-CB 3.24Å; A372-N376 WeakPolarHBondContact O-CB 3.3Å; A372-N376 VanDerWaalsContact O-CG 3.23Å; A372-N376 PolarHBondContact O-N 3.31Å; A372-N376 PolarHBondContact O-ND2 3.34Å; R373-N376 PolarHBondContact O-N 3.48Å; N376-Y378 VanDerWaalsContact C-N 3.34Å; N376-Y378 PolarHBondContact O-N 3.39Å; N376-L379 PolarHBondContact O-N 2.02Å; N376-Q380 VanDerWaalsContact O-CB 3.22Å; N376-Q380 WeakPolarHBondContact O-CB 3.29Å; N376-Q380 WeakPolarHBondContact O-CG 3.25Å; N376-Q380 PolarHBondContact O-N 2.86Å
377	S	92	Very high	91.9	Very high	50 Å²	50	54 Å²	54	35%	0.35	26%	0.264	S	S	.	.	H	α-helix	trans	-59.9	-44.3	174.8	-174.8	0	0	0	0	111.8	R373 L375 D381	R373-S377 WeakPolarHBondContact O-CB 3.19Å; R373-S377 PolarHBondContact O-N 2.75Å; L375-S377 VanDerWaalsContact C-N 3.31Å; L375-S377 PolarHBondContact O-N 2.65Å; S377-D381 WeakPolarHBondContact O-CB 3.33Å; S377-D381 PolarHBondContact O-N 3.38Å; S377-D381 VanDerWaalsContact O-N 3.15Å
378	Y	92.3	Very high	91.6	Very high	2 Å²	2	52.6 Å²	52.6	1%	0.008	26%	0.258	C	S	.	.	H	α-helix	trans	-65.8	-38.4	179.6	-178.7	-88.5	0	0	0	112.5	T60 E61 Q64 L65 I68 M201 D374 L375 N376 R382	T60-Y378 PolarHBondContact O-OH 3.43Å; E61-Y378 HydrophobicContact CB-CE2 4.29Å; Q64-Y378 HydrophobicContact CG-CD2 4.27Å; L65-Y378 HydrophobicContact CB-CE1 4.27Å; L65-Y378 HydrophobicContact CB-CE2 4.05Å; L65-Y378 HydrophobicContact CD1-CD1 4.29Å; L65-Y378 HydrophobicContact CD1-CE1 3.77Å; L65-Y378 HydrophobicContact CG-CE1 4.42Å; I68-Y378 HydrophobicContact CD1-CD2 4.12Å; I68-Y378 HydrophobicContact CD1-CG 3.87Å; M201-Y378 HydrophobicContact CE-CD1 4.47Å; M201-Y378 HydrophobicContact CE-CE1 3.64Å; D374-Y378 WeakPolarHBondContact O-CB 3.36Å; D374-Y378 PolarHBondContact O-N 3.06Å; L375-Y378 PolarHBondContact O-N 2.95Å; N376-Y378 VanDerWaalsContact C-N 3.34Å; N376-Y378 PolarHBondContact O-N 3.39Å; Y378-R382 VanDerWaalsContact CE2-NH2 3.29Å; Y378-R382 VanDerWaalsContact CZ-NE 3.32Å; Y378-R382 PolarHBondContact OH-NE 3.4Å
379	L	89.4	Confident	91.5	Very high	9 Å²	9	51.9 Å²	51.9	5%	0.047	25%	0.254	C	S	.	.	H	α-helix	trans	-74.8	-45	178.2	-65.6	178.7	0	0	0	112.2	M201 Y277 I281 L375 N376 D381 R382 D383	M201-L379 HydrophobicContact CE-CD2 4.2Å; M201-L379 HydrophobicContact SD-CD2 4.01Å; Y277-L379 HydrophobicContact CD2-CD2 4.45Å; Y277-L379 HydrophobicContact CE2-CD2 3.76Å; I281-L379 HydrophobicContact CD1-CD1 3.45Å; I281-L379 VanDerWaalsContact CD1-CD1 3.45Å; L375-L379 HydrophobicContact CD1-CD1 3.93Å; L375-L379 HydrophobicContact CD1-CG 4.1Å; L375-L379 HydrophobicContact CG-CD1 4.22Å; L375-L379 WeakPolarHBondContact O-CG 3.34Å; L375-L379 PolarHBondContact O-N 2.76Å; N376-L379 PolarHBondContact O-N 2.02Å; L379-D381 VanDerWaalsContact C-N 3.35Å; L379-D381 PolarHBondContact O-N 3Å; L379-R382 PolarHBondContact O-N 2.81Å; L379-R382 VanDerWaalsContact O-N 3.08Å; L379-D383 PolarHBondContact O-N 3.38Å
380	Q	87	Confident	91.4	Very high	120 Å²	120	51.5 Å²	51.5	56%	0.561	25%	0.249	S	C	*	.	H	α-helix	trans	-60.8	-42.6	-179.6	-77.2	176.3	-18.9	0	0	112	N376 R382 D383 D384	N376-Q380 VanDerWaalsContact O-CB 3.22Å; N376-Q380 WeakPolarHBondContact O-CB 3.29Å; N376-Q380 WeakPolarHBondContact O-CG 3.25Å; N376-Q380 PolarHBondContact O-N 2.86Å; Q380-R382 PolarHBondContact O-N 3.49Å; Q380-R382 VanDerWaalsContact O-N 3.14Å; Q380-D383 PolarHBondContact O-N 2.81Å; Q380-D383 VanDerWaalsContact O-N 3.17Å; Q380-D384 PolarHBondContact O-N 3.22Å
381	D	87	Confident	91.1	Very high	53 Å²	53	48.3 Å²	48.3	28%	0.283	24%	0.238	S	C	.	.	H	α-helix	trans	-56.9	-29.8	176.3	-179.4	68	0	0	0	112.2	S377 L379 Y388	S377-D381 WeakPolarHBondContact O-CB 3.33Å; S377-D381 PolarHBondContact O-N 3.38Å; S377-D381 VanDerWaalsContact O-N 3.15Å; L379-D381 VanDerWaalsContact C-N 3.35Å; L379-D381 PolarHBondContact O-N 3Å; D381-Y388 WeakPolarHBondContact O-CB 3.37Å; D381-Y388 VanDerWaalsContact OD2-CD2 3.25Å; D381-Y388 WeakPolarHBondContact OD2-CD2 3.36Å; D381-Y388 WeakPolarHBondContact OD2-CE2 3.05Å
382	R	88.4	Confident	90.8	Very high	4 Å²	4	48.8 Å²	48.8	2%	0.015	24%	0.24	C	C	.	.	H	α-helix	trans	-97.7	-15.7	-178.5	-63.2	171.4	175.5	24	-8.7	113.6	T60 E61 I259 Y378 L379 Q380 Y388	T60-R382 PolarHBondContact O-NH2 3.37Å; E61-R382 IonicContact OE2-CZ 3.33Å; E61-R382 IonicContact OE2-NH1 2.77Å; E61-R382 IonicContact OE2-NH2 3.69Å; E61-R382 PolarHBondContact OE2-NH2 3.04Å; I259-R382 HydrophobicContact CD1-CB 4.23Å; I259-R382 HydrophobicContact CD1-CG 4.17Å; Y378-R382 VanDerWaalsContact CE2-NH2 3.29Å; Y378-R382 VanDerWaalsContact CZ-NE 3.32Å; Y378-R382 PolarHBondContact OH-NE 3.4Å; L379-R382 PolarHBondContact O-N 2.81Å; L379-R382 VanDerWaalsContact O-N 3.08Å; Q380-R382 PolarHBondContact O-N 3.49Å; Q380-R382 VanDerWaalsContact O-N 3.14Å; R382-Y388 HydrophobicContact CG-CD2 4.24Å; R382-Y388 HydrophobicContact CG-CE2 4.15Å
383	D	83.8	Confident	90.6	Very high	75 Å²	75	49.3 Å²	49.3	40%	0.401	24%	0.239	S	C	.	.	H	α-helix	trans	-76.2	-35.2	175.5	-160.7	48.1	0	0	0	111.1	Y277 L379 Q380 K385	Y277-D383 HydrophobicContact CE1-CB 4.34Å; L379-D383 PolarHBondContact O-N 3.38Å; Q380-D383 PolarHBondContact O-N 2.81Å; Q380-D383 VanDerWaalsContact O-N 3.17Å; D383-K385 PolarHBondContact O-N 2.7Å
384	D	86.9	Confident	90.2	Very high	88 Å²	88	46.6 Å²	46.6	47%	0.471	24%	0.236	S	C	.	.	S	Bend	trans	-77	73.9	163.8	-168.7	-16.8	0	0	0	110.8	Q380 V386 Q387 Y388	Q380-D384 PolarHBondContact O-N 3.22Å; D384-V386 PolarHBondContact O-N 3.34Å; D384-V386 VanDerWaalsContact O-N 3.16Å; D384-V386 PolarHBondContact OD1-N 3.33Å; D384-Q387 HydrophobicContact CB-CB 4.16Å; D384-Q387 PolarHBondContact O-N 3.49Å; D384-Q387 WeakPolarHBondContact OD1-CB 3.05Å; D384-Q387 PolarHBondContact OD1-N 2.88Å; D384-Q387 VanDerWaalsContact OD2-CB 3.24Å; D384-Q387 WeakPolarHBondContact OD2-CB 3.34Å; D384-Y388 VanDerWaalsContact O-CB 3.29Å; D384-Y388 WeakPolarHBondContact O-CB 3.44Å; D384-Y388 PolarHBondContact O-N 2.8Å
385	K	89.1	Confident	89.8	Confident	62 Å²	62	47.2 Å²	47.2	27%	0.27	24%	0.239	S	C	.	.	H	α-helix	trans	-55.3	-35.5	-175.3	-63.1	160.5	-176.3	170.3	0	113	I259 L260 D383 M389 F421	I259-K385 HydrophobicContact CG2-CB 4.04Å; I259-K385 HydrophobicContact CG2-CG 3.75Å; L260-K385 HydrophobicContact CD2-CB 4.34Å; L260-K385 HydrophobicContact CD2-CD 3.96Å; L260-K385 HydrophobicContact CD2-CG 4.39Å; D383-K385 PolarHBondContact O-N 2.7Å; K385-M389 WeakPolarHBondContact O-CB 3.25Å; K385-M389 PolarHBondContact O-N 3.44Å; K385-M389 VanDerWaalsContact O-N 3.13Å; K385-F421 HydrophobicContact CB-CE1 4.42Å
386	V	87.9	Confident	89.3	Confident	82 Å²	82	47.9 Å²	47.9	50%	0.497	24%	0.242	S	C	.	.	H	α-helix	trans	-74.4	-48.1	-177.7	176.9	0	0	0	0	109.9	D384 M389 R390	D384-V386 PolarHBondContact O-N 3.34Å; D384-V386 VanDerWaalsContact O-N 3.16Å; D384-V386 PolarHBondContact OD1-N 3.33Å; V386-M389 PolarHBondContact O-N 3.44Å; V386-R390 WeakPolarHBondContact O-CB 2.92Å; V386-R390 PolarHBondContact O-N 3.19Å
387	Q	90.8	Very high	89	Confident	57 Å²	57	47.1 Å²	47.1	27%	0.266	24%	0.238	S	C	.	.	H	α-helix	trans	-66.7	-41.3	178.5	-172.8	58.1	42.7	0	0	111.7	D384 M389 R390 N391	D384-Q387 HydrophobicContact CB-CB 4.16Å; D384-Q387 PolarHBondContact O-N 3.49Å; D384-Q387 WeakPolarHBondContact OD1-CB 3.05Å; D384-Q387 PolarHBondContact OD1-N 2.88Å; D384-Q387 VanDerWaalsContact OD2-CB 3.24Å; D384-Q387 WeakPolarHBondContact OD2-CB 3.34Å; Q387-M389 PolarHBondContact O-N 3.2Å; Q387-R390 PolarHBondContact O-N 3.29Å; Q387-N391 PolarHBondContact NE2-OD1 3.49Å; Q387-N391 VanDerWaalsContact O-CG 3.23Å; Q387-N391 PolarHBondContact O-N 3.11Å; Q387-N391 PolarHBondContact O-ND2 3.15Å; Q387-N391 PolarHBondContact O-OD1 3.43Å
388	Y	91.7	Very high	88.2	Confident	6 Å²	6	46.8 Å²	46.8	2%	0.024	24%	0.235	C	C	.	.	H	α-helix	trans	-53.9	-53.7	174	-177.7	-105.8	0	0	0	111.4	I59 L255 I259 D381 R382 D384 R390 N391 I392	I59-Y388 PolarHBondContact O-OH 2.85Å; L255-Y388 HydrophobicContact CD1-CE1 4.39Å; I259-Y388 HydrophobicContact CD1-CD1 3.76Å; I259-Y388 HydrophobicContact CD1-CE1 3.44Å; I259-Y388 VanDerWaalsContact CD1-CE1 3.44Å; I259-Y388 HydrophobicContact CG1-CD1 3.96Å; I259-Y388 HydrophobicContact CG1-CE1 3.71Å; I259-Y388 HydrophobicContact CG2-CD1 4.41Å; D381-Y388 WeakPolarHBondContact O-CB 3.37Å; D381-Y388 VanDerWaalsContact OD2-CD2 3.25Å; D381-Y388 WeakPolarHBondContact OD2-CD2 3.36Å; D381-Y388 WeakPolarHBondContact OD2-CE2 3.05Å; R382-Y388 HydrophobicContact CG-CD2 4.24Å; R382-Y388 HydrophobicContact CG-CE2 4.15Å; D384-Y388 VanDerWaalsContact O-CB 3.29Å; D384-Y388 WeakPolarHBondContact O-CB 3.44Å; D384-Y388 PolarHBondContact O-N 2.8Å; Y388-R390 VanDerWaalsContact C-N 3.35Å; Y388-R390 PolarHBondContact O-N 3.35Å; Y388-N391 WeakPolarHBondContact O-CB 3.46Å; Y388-N391 PolarHBondContact O-N 3.36Å; Y388-I392 HydrophobicContact CE1-CG1 4.15Å; Y388-I392 PolarHBondContact O-N 3.07Å; Y388-I392 VanDerWaalsContact O-N 3.12Å
389	M	93.8	Very high	87.3	Confident	2 Å²	2	54.3 Å²	54.3	1%	0.01	27%	0.271	C	S	.	.	H	α-helix	trans	-64.2	-41.1	-178.4	-167.2	65.1	-119.2	0	0	111.4	F251 R252 L255 K385 V386 Q387 N391 I392 E393 F421	F251-M389 HydrophobicContact CB-CE 3.85Å; R252-M389 HydrophobicContact CG-CE 4Å; R252-M389 HydrophobicContact CG-CG 3.89Å; R252-M389 HydrophobicContact CG-SD 3.91Å; L255-M389 HydrophobicContact CD1-CE 4.23Å; L255-M389 HydrophobicContact CD1-SD 4.16Å; K385-M389 WeakPolarHBondContact O-CB 3.25Å; K385-M389 PolarHBondContact O-N 3.44Å; K385-M389 VanDerWaalsContact O-N 3.13Å; V386-M389 PolarHBondContact O-N 3.44Å; Q387-M389 PolarHBondContact O-N 3.2Å; M389-N391 VanDerWaalsContact C-N 3.31Å; M389-N391 PolarHBondContact O-N 2.91Å; M389-I392 HydrophobicContact CE-CB 3.9Å; M389-I392 HydrophobicContact CE-CG2 3.76Å; M389-I392 PolarHBondContact O-N 3.06Å; M389-E393 HydrophobicContact CE-CG 3.8Å; M389-E393 WeakPolarHBondContact CG-OE1 3.3Å; M389-E393 VanDerWaalsContact O-CG 3.25Å; M389-E393 WeakPolarHBondContact O-CG 3.23Å; M389-E393 PolarHBondContact O-N 2.85Å; M389-F421 HydrophobicContact CB-CD1 3.66Å; M389-F421 HydrophobicContact CB-CE1 3.86Å; M389-F421 HydrophobicContact CB-CG 4.06Å; M389-F421 HydrophobicContact CB-CZ 4.42Å; M389-F421 HydrophobicContact CG-CB 4.28Å; M389-F421 HydrophobicContact CG-CD1 3.85Å; M389-F421 HydrophobicContact CG-CD2 3.9Å; M389-F421 HydrophobicContact CG-CE1 4.09Å; M389-F421 HydrophobicContact CG-CE2 4.15Å; M389-F421 HydrophobicContact CG-CG 3.74Å; M389-F421 HydrophobicContact CG-CZ 4.23Å; M389-F421 HydrophobicContact SD-CD2 4.02Å; M389-F421 HydrophobicContact SD-CE1 4.21Å; M389-F421 HydrophobicContact SD-CE2 3.71Å; M389-F421 HydrophobicContact SD-CG 4.41Å; M389-F421 HydrophobicContact SD-CZ 3.8Å
390	R	92.4	Very high	86.4	Confident	119 Å²	119	59.8 Å²	59.8	45%	0.449	30%	0.296	S	S	.	.	H	α-helix	trans	-58.3	-41.1	174.7	-175.2	-174.3	-67.2	141.2	-3.1	112.2	V386 Q387 Y388 E393 L394	V386-R390 WeakPolarHBondContact O-CB 2.92Å; V386-R390 PolarHBondContact O-N 3.19Å; Q387-R390 PolarHBondContact O-N 3.29Å; Y388-R390 VanDerWaalsContact C-N 3.35Å; Y388-R390 PolarHBondContact O-N 3.35Å; R390-E393 PolarHBondContact O-N 3.41Å; R390-L394 HydrophobicContact CG-CD1 4.12Å; R390-L394 WeakPolarHBondContact O-CB 3.33Å; R390-L394 VanDerWaalsContact O-CG 3.3Å; R390-L394 WeakPolarHBondContact O-CG 3.05Å; R390-L394 PolarHBondContact O-N 3.03Å
391	N	91.2	Very high	85.3	Confident	42 Å²	42	58 Å²	58	23%	0.225	29%	0.291	C	S	.	.	H	α-helix	trans	-63.6	-43.4	177.1	-68.8	-15.8	0	0	0	111.3	Q387 Y388 M389 L394 L395	Q387-N391 PolarHBondContact NE2-OD1 3.49Å; Q387-N391 VanDerWaalsContact O-CG 3.23Å; Q387-N391 PolarHBondContact O-N 3.11Å; Q387-N391 PolarHBondContact O-ND2 3.15Å; Q387-N391 PolarHBondContact O-OD1 3.43Å; Y388-N391 WeakPolarHBondContact O-CB 3.46Å; Y388-N391 PolarHBondContact O-N 3.36Å; M389-N391 VanDerWaalsContact C-N 3.31Å; M389-N391 PolarHBondContact O-N 2.91Å; N391-L394 PolarHBondContact O-N 3.06Å; N391-L395 WeakPolarHBondContact O-CB 3.34Å; N391-L395 VanDerWaalsContact O-CG 3.24Å; N391-L395 WeakPolarHBondContact O-CG 3.42Å; N391-L395 PolarHBondContact O-N 2.82Å
392	I	90.6	Very high	84.4	Confident	11 Å²	11	61 Å²	61	6%	0.056	30%	0.301	C	S	.	.	H	α-helix	trans	-61.4	-45.6	174.3	-62.7	-53	0	0	0	110.8	I59 F251 L255 Y388 M389 L394 L395 Y396	I59-I392 HydrophobicContact CG2-CD1 4.01Å; I59-I392 HydrophobicContact CG2-CG2 4.42Å; F251-I392 HydrophobicContact CB-CG2 4.36Å; F251-I392 HydrophobicContact CD1-CG2 4.38Å; F251-I392 HydrophobicContact CG-CG2 4.35Å; L255-I392 HydrophobicContact CD1-CB 4.43Å; L255-I392 HydrophobicContact CD1-CG1 4.11Å; L255-I392 HydrophobicContact CD1-CG2 3.88Å; Y388-I392 HydrophobicContact CE1-CG1 4.15Å; Y388-I392 PolarHBondContact O-N 3.07Å; Y388-I392 VanDerWaalsContact O-N 3.12Å; M389-I392 HydrophobicContact CE-CB 3.9Å; M389-I392 HydrophobicContact CE-CG2 3.76Å; M389-I392 PolarHBondContact O-N 3.06Å; I392-L394 VanDerWaalsContact C-N 3.33Å; I392-L394 PolarHBondContact O-N 3.16Å; I392-L395 PolarHBondContact O-N 3.47Å; I392-Y396 HydrophobicContact CD1-CE2 4.16Å; I392-Y396 HydrophobicContact CG2-CD2 3.83Å; I392-Y396 HydrophobicContact CG2-CE2 4.37Å; I392-Y396 VanDerWaalsContact O-CD2 3.29Å; I392-Y396 WeakPolarHBondContact O-CD2 3.18Å; I392-Y396 PolarHBondContact O-N 3.31Å
393	E	90.7	Very high	83.7	Confident	27 Å²	27	66.6 Å²	66.6	13%	0.126	33%	0.331	C	S	.	.	H	α-helix	trans	-59.2	-43.8	177.8	-67.8	165.4	-172.2	0	0	111.6	I248 R252 M389 R390 L395 C397	I248-E393 HydrophobicContact CG1-CB 4.39Å; I248-E393 HydrophobicContact CG1-CG 4.04Å; I248-E393 HydrophobicContact CG2-CG 4.24Å; R252-E393 IonicContact CZ-OE1 2.68Å; R252-E393 IonicContact NE-OE1 3.9Å; R252-E393 PolarHBondContact NE-OE1 2.91Å; R252-E393 IonicContact NH2-OE1 3.11Å; R252-E393 PolarHBondContact NH2-OE1 3.16Å; R252-E393 IonicContact NH2-OE2 3.15Å; R252-E393 PolarHBondContact NH2-OE2 3.08Å; M389-E393 HydrophobicContact CE-CG 3.8Å; M389-E393 WeakPolarHBondContact CG-OE1 3.3Å; M389-E393 VanDerWaalsContact O-CG 3.25Å; M389-E393 WeakPolarHBondContact O-CG 3.23Å; M389-E393 PolarHBondContact O-N 2.85Å; R390-E393 PolarHBondContact O-N 3.41Å; E393-L395 PolarHBondContact O-N 2.87Å; E393-C397 WeakPolarHBondContact O-CA 3.29Å; E393-C397 WeakPolarHBondContact O-CB 3.36Å; E393-C397 PolarHBondContact O-N 3.46Å
394	L	88.1	Confident	83.7	Confident	96 Å²	96	70.9 Å²	70.9	50%	0.503	35%	0.349	S	S	.	.	H	α-helix	trans	-67.7	-33.6	178.5	-72.6	169.5	0	0	0	113.4	R390 N391 I392	R390-L394 HydrophobicContact CG-CD1 4.12Å; R390-L394 WeakPolarHBondContact O-CB 3.33Å; R390-L394 VanDerWaalsContact O-CG 3.3Å; R390-L394 WeakPolarHBondContact O-CG 3.05Å; R390-L394 PolarHBondContact O-N 3.03Å; N391-L394 PolarHBondContact O-N 3.06Å; I392-L394 VanDerWaalsContact C-N 3.33Å; I392-L394 PolarHBondContact O-N 3.16Å
395	L	85.6	Confident	83.6	Confident	62 Å²	62	67 Å²	67	33%	0.325	33%	0.328	S	S	.	.	H	α-helix	trans	-77.7	-37.5	-179.6	-74.2	168.9	0	0	0	112.4	N391 I392 E393	N391-L395 WeakPolarHBondContact O-CB 3.34Å; N391-L395 VanDerWaalsContact O-CG 3.24Å; N391-L395 WeakPolarHBondContact O-CG 3.42Å; N391-L395 PolarHBondContact O-N 2.82Å; I392-L395 PolarHBondContact O-N 3.47Å; E393-L395 PolarHBondContact O-N 2.87Å
396	Y	84	Confident	83.5	Confident	15 Å²	15	64.4 Å²	64.4	6%	0.059	32%	0.317	C	S	.	.	H	α-helix	trans	-111	-18.6	-169.9	-65	-82.9	0	0	0	114.3	I33 N35 I59 F251 I392	I33-Y396 HydrophobicContact CG2-CD1 4.39Å; I33-Y396 HydrophobicContact CG2-CE1 3.56Å; N35-Y396 PolarHBondContact ND2-O 2.84Å; N35-Y396 VanDerWaalsContact ND2-O 3.07Å; N35-Y396 PolarHBondContact OD1-O 3.48Å; I59-Y396 HydrophobicContact CD1-CE1 4.44Å; I59-Y396 HydrophobicContact CG1-CE1 4.05Å; I59-Y396 HydrophobicContact CG1-CE2 3.9Å; I59-Y396 WeakPolarHBondContact CG1-OH 3.48Å; F251-Y396 VanDerWaalsContact CE2-CB 3.46Å; F251-Y396 HydrophobicContact CE2-CG 4.28Å; F251-Y396 HydrophobicContact CZ-CD1 4.19Å; F251-Y396 HydrophobicContact CZ-CG 4Å; I392-Y396 HydrophobicContact CD1-CE2 4.16Å; I392-Y396 HydrophobicContact CG2-CD2 3.83Å; I392-Y396 HydrophobicContact CG2-CE2 4.37Å; I392-Y396 VanDerWaalsContact O-CD2 3.29Å; I392-Y396 WeakPolarHBondContact O-CD2 3.18Å; I392-Y396 PolarHBondContact O-N 3.31Å
397	C	86	Confident	83.5	Confident	7 Å²	7	61.5 Å²	61.5	5%	0.047	30%	0.299	C	S	.	.	S	Bend	trans	-109.9	148.7	-178.9	-56.1	0	0	0	0	112.2	N244 C247 I248 E393	N244-C397 WeakPolarHBondContact OD1-CB 3.48Å; C247-C397 HydrophobicContact CB-CB 3.74Å; C247-C397 WeakPolarHBondContact CB-SG 3.36Å; C247-C397 WeakPolarHBondContact SG-CA 2.98Å; C247-C397 WeakPolarHBondContact SG-CB 3.31Å; C247-C397 CovalentContact SG-SG 2.05Å; C247-C397 PolarHBondContact SG-SG 2.98Å; I248-C397 HydrophobicContact CG1-CB 4.27Å; I248-C397 PolarHBondContact N-SG 2.98Å; E393-C397 WeakPolarHBondContact O-CA 3.29Å; E393-C397 WeakPolarHBondContact O-CB 3.36Å; E393-C397 PolarHBondContact O-N 3.46Å
398	S	76	Confident	83.4	Confident	43 Å²	43	59.2 Å²	59.2	30%	0.301	29%	0.29	S	S	.	.			trans	-75.6	141.9	179.9	-66.7	0	0	0	0	110.3	N35 N244 E400	N35-S398 PolarHBondContact ND2-N 3.15Å; N35-S398 PolarHBondContact ND2-OG 3.28Å; N244-S398 WeakPolarHBondContact CB-O 3.44Å; N244-S398 PolarHBondContact OD1-O 3.38Å; S398-E400 VanDerWaalsContact C-N 3.25Å; S398-E400 PolarHBondContact O-N 3.09Å
399	Q	73.7	Confident	83.1	Confident	161 Å²	161	62.6 Å²	62.6	75%	0.752	32%	0.315	S	S	*	.	S	Bend	trans	-76.4	-7.7	-179.7	-64.3	-168.3	-1.8	0	0	114.9
400	E	69.1	Low	82.7	Confident	123 Å²	123	64.9 Å²	64.9	58%	0.575	33%	0.331	S	S	*	.			trans	-115.1	120	-176.2	-64.6	177.4	172	0	0	111	S398 K402	S398-E400 VanDerWaalsContact C-N 3.25Å; S398-E400 PolarHBondContact O-N 3.09Å; E400-K402 HydrophobicContact CB-CG 4.4Å; E400-K402 PolarHBondContact O-N 2.85Å; E400-K402 WeakPolarHBondContact OE2-CE 3.46Å; E400-K402 IonicContact OE2-NZ 3.27Å; E400-K402 PolarHBondContact OE2-NZ 3.46Å
401	D	65	Low	82.4	Confident	84 Å²	84	64.7 Å²	64.7	45%	0.449	33%	0.334	S	S	.	.			trans	-80	96.5	165.5	-87	-38.9	0	0	0	109.2	N244 S245	N244-D401 WeakPolarHBondContact CA-OD1 3.45Å; N244-D401 WeakPolarHBondContact CB-OD1 3.35Å; N244-D401 PolarHBondContact N-OD1 3.47Å; S245-D401 PolarHBondContact N-OD1 2.94Å; S245-D401 PolarHBondContact OG-OD2 3.31Å
402	K	68	Low	82.2	Confident	114 Å²	114	67.1 Å²	67.1	50%	0.496	35%	0.347	S	S	.	.			trans	-81.6	150.2	174.6	-63.7	-176	-179.1	-179.8	0	109.7	E400 Q404 C405	E400-K402 HydrophobicContact CB-CG 4.4Å; E400-K402 PolarHBondContact O-N 2.85Å; E400-K402 WeakPolarHBondContact OE2-CE 3.46Å; E400-K402 IonicContact OE2-NZ 3.27Å; E400-K402 PolarHBondContact OE2-NZ 3.46Å; K402-Q404 PolarHBondContact O-N 3.23Å; K402-C405 PolarHBondContact O-SG 2.95Å
403	N	74	Confident	82.2	Confident	122 Å²	122	74.1 Å²	74.1	65%	0.652	37%	0.372	S	S	*	.	S	Bend	trans	-69.1	-11.8	174.4	-69.3	-23.3	0	0	0	113.3	D412 R413	N403-D412 CarbonylContact O-C 3.38Å; N403-R413 PolarHBondContact O-N 2.82Å
404	Q	82.9	Confident	82.2	Confident	165 Å²	165	73.9 Å²	73.9	77%	0.771	37%	0.371	S	S	*	.	S	Bend	trans	-127.2	65.9	-174.2	-151.9	164	8.5	0	0	109.9	K402	K402-Q404 PolarHBondContact O-N 3.23Å
405	C	86.2	Confident	82.4	Confident	6 Å²	6	75.1 Å²	75.1	4%	0.041	38%	0.382	C	S	.	.	S	Bend	trans	-130.5	163.8	178.3	52.6	0	0	0	0	110.1	K241 C243 K402 N407 F411 D412	K241-C405 CarbonylContact O-C 3.37Å; K241-C405 WeakPolarHBondContact O-CA 3.26Å; K241-C405 VanDerWaalsContact O-CB 3.32Å; K241-C405 WeakPolarHBondContact O-CB 3.42Å; C243-C405 WeakPolarHBondContact CA-SG 3.41Å; C243-C405 HydrophobicContact CB-CB 4.04Å; C243-C405 WeakPolarHBondContact CB-SG 3.44Å; C243-C405 WeakPolarHBondContact SG-CB 3.05Å; C243-C405 PolarHBondContact SG-O 2.99Å; C243-C405 CovalentContact SG-SG 2.03Å; C243-C405 PolarHBondContact SG-SG 3.49Å; K402-C405 PolarHBondContact O-SG 2.95Å; C405-N407 PolarHBondContact O-N 3.49Å; C405-F411 CarbonylContact O-C 3.48Å; C405-F411 VanDerWaalsContact O-CA 3.26Å; C405-F411 WeakPolarHBondContact O-CA 3.33Å; C405-D412 PolarHBondContact O-N 3.49Å
406	W	86.4	Confident	82.8	Confident	8 Å²	8	77.8 Å²	77.8	3%	0.03	39%	0.388	C	S	.	.	B	Isolated β-bridge	trans	-74.2	120.4	177.6	174.3	-106.9	0	0	0	111.2	D219 G223 C224 S225 K241 P242 C243 Y246 G408 S409 F411	D219-W406 PolarHBondContact O-NE1 3.29Å; G223-W406 VanDerWaalsContact C-CD2 3.44Å; G223-W406 VanDerWaalsContact C-CZ2 3.49Å; G223-W406 VanDerWaalsContact CA-CE2 3.45Å; G223-W406 VanDerWaalsContact CA-CG 3.45Å; G223-W406 VanDerWaalsContact O-CE3 3.24Å; G223-W406 VanDerWaalsContact O-CZ3 3.24Å; G223-W406 WeakPolarHBondContact O-CZ3 3.3Å; C224-W406 VanDerWaalsContact N-CZ2 3.34Å; S225-W406 WeakPolarHBondContact OG-CH2 3.36Å; K241-W406 PolarHBondContact O-N 3.4Å; P242-W406 WeakPolarHBondContact CA-O 3.14Å; C243-W406 PolarHBondContact N-O 3.18Å; C243-W406 PolarHBondContact SG-O 2.86Å; C243-W406 VanDerWaalsContact SG-O 3.39Å; Y246-W406 WeakPolarHBondContact CD1-O 3.3Å; Y246-W406 AromaticContact CE1-CD1 3.54Å; Y246-W406 AromaticContact CE1-NE1 3.66Å; W406-G408 WeakPolarHBondContact CZ2-O 3.32Å; W406-S409 WeakPolarHBondContact CH2-O 3.44Å; W406-S409 VanDerWaalsContact CZ3-O 3.3Å; W406-S409 WeakPolarHBondContact CZ3-O 3.31Å; W406-F411 HydrophobicContact CB-CD1 4.41Å; W406-F411 HydrophobicContact CB-CE1 4.12Å; W406-F411 HydrophobicContact CB-CZ 4.44Å; W406-F411 HydrophobicContact CE3-CD2 4.15Å; W406-F411 HydrophobicContact CE3-CE2 4.06Å; W406-F411 HydrophobicContact CE3-CZ 4.48Å
407	N	88.5	Confident	83.3	Confident	22 Å²	22	84.6 Å²	84.6	12%	0.118	42%	0.42	C	S	.	.			trans	-102.3	9.8	-176.3	73	9.1	0	0	0	114.1	C405 S409 S410 R413 Y414	C405-N407 PolarHBondContact O-N 3.49Å; N407-S409 PolarHBondContact OD1-N 3Å; N407-S410 VanDerWaalsContact CG-O 3.25Å; N407-S410 PolarHBondContact N-O 3.24Å; N407-S410 PolarHBondContact OD1-N 3.4Å; N407-S410 PolarHBondContact OD1-O 3.37Å; N407-R413 PolarHBondContact ND2-O 3.32Å; N407-Y414 HydrophobicContact CB-CD2 4.05Å
408	G	87.6	Confident	83.6	Confident	9 Å²	9	86.4 Å²	86.4	9%	0.093	43%	0.431	C	S	.	.	S	Bend	trans	98.3	-19.6	-173.7	0	0	0	0	0	114.6	S225 Y246 W406	S225-G408 PolarHBondContact OG-O 2.98Å; Y246-G408 WeakPolarHBondContact OH-CA 3.43Å; W406-G408 WeakPolarHBondContact CZ2-O 3.32Å
409	S	86.2	Confident	84.4	Confident	76 Å²	76	85.1 Å²	85.1	53%	0.531	42%	0.422	S	S	.	.	S	Bend	trans	-126.8	-40.9	178.8	-53	0	0	0	0	113.3	W406 N407	W406-S409 WeakPolarHBondContact CH2-O 3.44Å; W406-S409 VanDerWaalsContact CZ3-O 3.3Å; W406-S409 WeakPolarHBondContact CZ3-O 3.31Å; N407-S409 PolarHBondContact OD1-N 3Å
410	S	85.4	Confident	85.3	Confident	51 Å²	51	83.8 Å²	83.8	36%	0.357	42%	0.415	S	S	.	.	S	Bend	trans	-148.8	170.6	-177	59.6	0	0	0	0	111.3	N407 D412	N407-S410 VanDerWaalsContact CG-O 3.25Å; N407-S410 PolarHBondContact N-O 3.24Å; N407-S410 PolarHBondContact OD1-N 3.4Å; N407-S410 PolarHBondContact OD1-O 3.37Å; S410-D412 PolarHBondContact O-N 2.94Å
411	F	84.9	Confident	86.5	Confident	115 Å²	115	78.7 Å²	78.7	50%	0.504	39%	0.391	S	S	.	.	B	Isolated β-bridge	trans	-83.1	90.7	168.9	-74.1	-89.3	0	0	0	109.7	C405 W406	C405-F411 CarbonylContact O-C 3.48Å; C405-F411 VanDerWaalsContact O-CA 3.26Å; C405-F411 WeakPolarHBondContact O-CA 3.33Å; W406-F411 HydrophobicContact CB-CD1 4.41Å; W406-F411 HydrophobicContact CB-CE1 4.12Å; W406-F411 HydrophobicContact CB-CZ 4.44Å; W406-F411 HydrophobicContact CE3-CD2 4.15Å; W406-F411 HydrophobicContact CE3-CE2 4.06Å; W406-F411 HydrophobicContact CE3-CZ 4.48Å
412	D	87.8	Confident	87.6	Confident	92 Å²	92	76.9 Å²	76.9	49%	0.492	38%	0.383	S	S	.	.	S	Bend	trans	-160.5	177.1	-178	-156.9	-15.1	0	0	0	109.3	C243 N403 C405 S410	C243-D412 PolarHBondContact SG-O 2.85Å; N403-D412 CarbonylContact O-C 3.38Å; C405-D412 PolarHBondContact O-N 3.49Å; S410-D412 PolarHBondContact O-N 2.94Å
413	R	89.9	Confident	88.5	Confident	159 Å²	159	73.1 Å²	73.1	60%	0.6	37%	0.368	S	S	*	.			trans	-59.5	141.6	175.2	179.8	175.7	173.9	-176.4	1	111.5	N403 N407	N403-R413 PolarHBondContact O-N 2.82Å; N407-R413 PolarHBondContact ND2-O 3.32Å
414	Y	91.2	Very high	89.1	Confident	22 Å²	22	73.1 Å²	73.1	9%	0.086	37%	0.368	C	S	.	.			trans	-80	129.3	167.5	-168.2	-104.1	0	0	0	110.9	S245 Y246 N249 N407 R416 V418 E431	S245-Y414 VanDerWaalsContact CB-CD1 3.42Å; Y246-Y414 HydrophobicContact CD2-CD2 4.27Å; Y246-Y414 AromaticContact CD2-CE2 3.71Å; Y246-Y414 HydrophobicContact CD2-CE2 3.71Å; Y246-Y414 HydrophobicContact CG-CD2 4.3Å; Y246-Y414 HydrophobicContact CG-CE2 4.15Å; N249-Y414 PolarHBondContact ND2-OH 2.88Å; N407-Y414 HydrophobicContact CB-CD2 4.05Å; Y414-R416 WeakPolarHBondContact CD1-O 3.41Å; Y414-R416 HydrophobicContact CE1-CB 3.88Å; Y414-R416 WeakPolarHBondContact CE1-O 3.37Å; Y414-R416 HydrophobicContact CE2-CB 4.34Å; Y414-V418 HydrophobicContact CE1-CG2 4.45Å; Y414-E431 WeakPolarHBondContact CE2-OE1 3.16Å; Y414-E431 PolarHBondContact OH-OE1 3.18Å
415	T	92.5	Very high	89.5	Confident	121 Å²	121	66 Å²	66	74%	0.742	34%	0.339	S	S	*	.			trans	-119.3	-11.6	-172.5	54.7	0	0	0	0	114.5
416	R	94.2	Very high	89.8	Confident	119 Å²	119	65.7 Å²	65.7	45%	0.449	34%	0.337	S	S	.	.	S	Bend	trans	-78.8	152.6	179.2	-55.4	-178.5	-177.3	164	-7.9	110	Y414 P430 E431	Y414-R416 WeakPolarHBondContact CD1-O 3.41Å; Y414-R416 HydrophobicContact CE1-CB 3.88Å; Y414-R416 WeakPolarHBondContact CE1-O 3.37Å; Y414-R416 HydrophobicContact CE2-CB 4.34Å; R416-P430 HydrophobicContact CB-CB 4.26Å; R416-P430 HydrophobicContact CB-CG 4.33Å; R416-P430 PolarHBondContact NH1-O 3.12Å; R416-E431 WeakPolarHBondContact CD-OE1 3.38Å; R416-E431 IonicContact CZ-OE1 3.72Å; R416-E431 IonicContact NE-OE1 3.94Å; R416-E431 IonicContact NH1-OE1 2.78Å; R416-E431 PolarHBondContact NH1-OE1 3.01Å; R416-E431 IonicContact NH1-OE2 2.99Å; R416-E431 PolarHBondContact NH1-OE2 2.96Å
417	E	93	Very high	89.9	Confident	158 Å²	158	69 Å²	69	74%	0.738	36%	0.355	S	S	*	.			trans	-66	152.3	178	-171.2	175	174.7	0	0	111.1	N249 P419	N249-E417 PolarHBondContact ND2-O 3.37Å; E417-P419 WeakPolarHBondContact O-CD 3.34Å
418	V	93.5	Very high	90	Very high	45 Å²	45	74.3 Å²	74.3	27%	0.273	38%	0.383	S	S	.	.			trans	-104.7	96	170.8	-179	0	0	0	0	108	I248 N249 Y414	I248-V418 HydrophobicContact CB-CG1 4.37Å; I248-V418 HydrophobicContact CG2-CG1 3.59Å; N249-V418 WeakPolarHBondContact OD1-CA 3.49Å; Y414-V418 HydrophobicContact CE1-CG2 4.45Å
419	P	92.9	Very high	90.4	Very high	16 Å²	16	74.5 Å²	74.5	10%	0.104	38%	0.382	C	S	.	.			trans	-62.4	150.3	-177.9	-21	33.7	0	0	0	111.2	N249 R252 E417 G425 Q426	N249-P419 WeakPolarHBondContact OD1-CD 3.44Å; R252-P419 PolarHBondContact NH1-O 2.85Å; E417-P419 WeakPolarHBondContact O-CD 3.34Å; P419-G425 VanDerWaalsContact CB-O 3.31Å; P419-G425 WeakPolarHBondContact CB-O 3.31Å; P419-Q426 PolarHBondContact O-NE2 3.19Å
420	E	92.4	Very high	90.8	Very high	133 Å²	133	73.2 Å²	73.2	62%	0.621	37%	0.372	S	S	*	.			trans	-57	150.2	172.6	-159.4	-173.1	170.2	0	0	111	T422 Q426	E420-T422 HydrophobicContact CB-CG2 4.22Å; E420-T422 HydrophobicContact CG-CG2 3.88Å; E420-T422 PolarHBondContact O-N 2.97Å; E420-Q426 PolarHBondContact O-NE2 3.44Å
421	F	93.5	Very high	91.3	Very high	15 Å²	15	72.1 Å²	72.1	7%	0.066	36%	0.361	C	S	.	.	S	Bend	trans	-78.2	60.8	177	-165.8	-115.7	0	0	0	111.7	R252 A256 I259 L260 K385 M389 Q426	R252-F421 HydrophobicContact CB-CD2 3.84Å; R252-F421 HydrophobicContact CB-CE2 4.2Å; R252-F421 HydrophobicContact CG-CD2 3.77Å; R252-F421 HydrophobicContact CG-CE2 4.4Å; R252-F421 HydrophobicContact CG-CG 4.5Å; R252-F421 WeakPolarHBondContact O-CE2 3.37Å; A256-F421 HydrophobicContact CB-CE2 4.1Å; I259-F421 HydrophobicContact CB-CE1 4.16Å; I259-F421 HydrophobicContact CB-CZ 3.97Å; I259-F421 HydrophobicContact CG2-CE1 3.67Å; I259-F421 HydrophobicContact CG2-CZ 4.02Å; L260-F421 HydrophobicContact CD1-CD1 4.38Å; L260-F421 HydrophobicContact CD1-CD2 4.06Å; L260-F421 HydrophobicContact CD1-CE1 4.29Å; L260-F421 HydrophobicContact CD1-CE2 3.95Å; L260-F421 HydrophobicContact CD1-CG 4.28Å; L260-F421 HydrophobicContact CD1-CZ 4.08Å; L260-F421 HydrophobicContact CD2-CD1 3.91Å; L260-F421 HydrophobicContact CD2-CE1 3.7Å; L260-F421 HydrophobicContact CD2-CZ 4.18Å; L260-F421 HydrophobicContact CG-CD1 4.36Å; L260-F421 HydrophobicContact CG-CE1 3.92Å; L260-F421 HydrophobicContact CG-CE2 4.24Å; L260-F421 HydrophobicContact CG-CZ 3.86Å; K385-F421 HydrophobicContact CB-CE1 4.42Å; M389-F421 HydrophobicContact CB-CD1 3.66Å; M389-F421 HydrophobicContact CB-CE1 3.86Å; M389-F421 HydrophobicContact CB-CG 4.06Å; M389-F421 HydrophobicContact CB-CZ 4.42Å; M389-F421 HydrophobicContact CG-CB 4.28Å; M389-F421 HydrophobicContact CG-CD1 3.85Å; M389-F421 HydrophobicContact CG-CD2 3.9Å; M389-F421 HydrophobicContact CG-CE1 4.09Å; M389-F421 HydrophobicContact CG-CE2 4.15Å; M389-F421 HydrophobicContact CG-CG 3.74Å; M389-F421 HydrophobicContact CG-CZ 4.23Å; M389-F421 HydrophobicContact SD-CD2 4.02Å; M389-F421 HydrophobicContact SD-CE1 4.21Å; M389-F421 HydrophobicContact SD-CE2 3.71Å; M389-F421 HydrophobicContact SD-CG 4.41Å; M389-F421 HydrophobicContact SD-CZ 3.8Å; F421-Q426 HydrophobicContact CD2-CG 3.94Å; F421-Q426 HydrophobicContact CE2-CG 4.38Å
422	T	89.8	Confident	91.8	Very high	47 Å²	47	66.8 Å²	66.8	29%	0.288	34%	0.338	S	S	.	.	S	Bend	trans	-122.7	164.7	176	65.6	0	0	0	0	109.7	E420 N424 G425 Q426	E420-T422 HydrophobicContact CB-CG2 4.22Å; E420-T422 HydrophobicContact CG-CG2 3.88Å; E420-T422 PolarHBondContact O-N 2.97Å; T422-N424 VanDerWaalsContact C-N 3.33Å; T422-N424 PolarHBondContact O-N 3.45Å; T422-G425 PolarHBondContact O-N 3.13Å; T422-G425 PolarHBondContact OG1-N 2.85Å; T422-Q426 WeakPolarHBondContact O-CB 3.24Å; T422-Q426 WeakPolarHBondContact O-CG 3.3Å; T422-Q426 PolarHBondContact O-N 2.8Å
423	I	85.6	Confident	92	Very high	34 Å²	34	69.6 Å²	69.6	17%	0.174	35%	0.346	C	S	.	.	H	α-helix	trans	-55.8	-49.4	179.5	-74.7	174.6	0	0	0	111.1	L260 F261 K264 Q426 L427	L260-I423 HydrophobicContact CB-CG1 4.01Å; F261-I423 HydrophobicContact CD1-CG1 4.32Å; F261-I423 HydrophobicContact CD1-CG2 4.38Å; F261-I423 HydrophobicContact CE1-CB 4.29Å; F261-I423 HydrophobicContact CE1-CG1 4.14Å; F261-I423 HydrophobicContact CE1-CG2 3.61Å; F261-I423 HydrophobicContact CZ-CB 4.42Å; F261-I423 HydrophobicContact CZ-CG1 4.36Å; F261-I423 HydrophobicContact CZ-CG2 4.05Å; K264-I423 HydrophobicContact CD-CD1 3.35Å; K264-I423 HydrophobicContact CG-CD1 4.08Å; I423-Q426 PolarHBondContact O-N 3.07Å; I423-L427 HydrophobicContact CG2-CD1 4.25Å; I423-L427 VanDerWaalsContact O-CG 3.31Å; I423-L427 WeakPolarHBondContact O-CG 3.46Å; I423-L427 PolarHBondContact O-N 3.16Å; I423-L427 VanDerWaalsContact O-N 3.07Å
424	N	87.2	Confident	92	Very high	123 Å²	123	62.9 Å²	62.9	66%	0.658	32%	0.322	S	S	*	.	H	α-helix	trans	-68.2	-37.6	-178.2	-64.1	-16.3	0	0	0	111.7	T422	T422-N424 VanDerWaalsContact C-N 3.33Å; T422-N424 PolarHBondContact O-N 3.45Å
425	G	90.8	Very high	91.6	Very high	14 Å²	14	64.4 Å²	64.4	14%	0.144	33%	0.333	C	S	.	.	H	α-helix	trans	-64	-44.9	176.4	0	0	0	0	0	112.3	P419 T422 N428	P419-G425 VanDerWaalsContact CB-O 3.31Å; P419-G425 WeakPolarHBondContact CB-O 3.31Å; T422-G425 PolarHBondContact O-N 3.13Å; T422-G425 PolarHBondContact OG1-N 2.85Å; G425-N428 PolarHBondContact O-N 2.92Å
426	Q	92.8	Very high	90.9	Very high	0 Å²	0	63.9 Å²	63.9	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-80.3	-21.3	-174.8	-61.8	-54.8	-52	0	0	113.9	A256 L260 P419 E420 F421 T422 I423 N428 N429 I434	A256-Q426 HydrophobicContact CB-CB 3.68Å; A256-Q426 HydrophobicContact CB-CG 3.86Å; L260-Q426 HydrophobicContact CD1-CB 4.22Å; L260-Q426 HydrophobicContact CD1-CG 3.76Å; P419-Q426 PolarHBondContact O-NE2 3.19Å; E420-Q426 PolarHBondContact O-NE2 3.44Å; F421-Q426 HydrophobicContact CD2-CG 3.94Å; F421-Q426 HydrophobicContact CE2-CG 4.38Å; T422-Q426 WeakPolarHBondContact O-CB 3.24Å; T422-Q426 WeakPolarHBondContact O-CG 3.3Å; T422-Q426 PolarHBondContact O-N 2.8Å; I423-Q426 PolarHBondContact O-N 3.07Å; Q426-N428 PolarHBondContact O-N 2.05Å; Q426-N429 VanDerWaalsContact O-CB 3.31Å; Q426-N429 WeakPolarHBondContact O-CB 3.16Å; Q426-N429 PolarHBondContact O-N 3.22Å; Q426-N429 PolarHBondContact OE1-ND2 3.28Å; Q426-I434 HydrophobicContact CB-CD1 3.93Å; Q426-I434 WeakPolarHBondContact O-CD1 3.48Å
427	L	89	Confident	90	Very high	79 Å²	79	64.3 Å²	64.3	41%	0.414	34%	0.336	S	S	.	.	H	α-helix	trans	-59.9	-29.5	168.4	-77.9	172.6	0	0	0	112.5	F261 I423 L439	F261-L427 HydrophobicContact CE1-CD2 4.25Å; F261-L427 HydrophobicContact CE1-CG 4.4Å; F261-L427 HydrophobicContact CZ-CD2 4.07Å; F261-L427 HydrophobicContact CZ-CG 4.1Å; I423-L427 HydrophobicContact CG2-CD1 4.25Å; I423-L427 VanDerWaalsContact O-CG 3.31Å; I423-L427 WeakPolarHBondContact O-CG 3.46Å; I423-L427 PolarHBondContact O-N 3.16Å; I423-L427 VanDerWaalsContact O-N 3.07Å; L427-L439 HydrophobicContact CD2-CD1 4.37Å
428	N	90.4	Very high	89.2	Confident	132 Å²	132	58.2 Å²	58.2	71%	0.706	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.4	23.9	178.4	-61.3	-42.6	0	0	0	112.4	G425 Q426	G425-N428 PolarHBondContact O-N 2.92Å; Q426-N428 PolarHBondContact O-N 2.05Å
429	N	94.8	Very high	88.2	Confident	14 Å²	14	57.8 Å²	57.8	8%	0.075	30%	0.304	C	S	.	.			trans	-58.1	128.1	179	-175.5	-61.5	0	0	0	110.5	N249 G253 Q426 E431 V432	N249-N429 PolarHBondContact O-ND2 3.49Å; G253-N429 VanDerWaalsContact CA-ND2 3.34Å; G253-N429 WeakPolarHBondContact CA-ND2 3.21Å; G253-N429 PolarHBondContact N-ND2 3.35Å; Q426-N429 VanDerWaalsContact O-CB 3.31Å; Q426-N429 WeakPolarHBondContact O-CB 3.16Å; Q426-N429 PolarHBondContact O-N 3.22Å; Q426-N429 PolarHBondContact OE1-ND2 3.28Å; N429-E431 VanDerWaalsContact C-N 3.3Å; N429-E431 PolarHBondContact O-N 3.38Å; N429-E431 PolarHBondContact OD1-N 3.26Å; N429-V432 PolarHBondContact OD1-N 3.41Å
430	P	95.5	Very high	86.9	Confident	49 Å²	49	63.1 Å²	63.1	32%	0.318	33%	0.326	S	S	.	.	S	Bend	trans	-73.6	-17.5	-174.3	26.7	-34	0	0	0	114.6	N249 R416	N249-P430 WeakPolarHBondContact ND2-CG 3.47Å; R416-P430 HydrophobicContact CB-CB 4.26Å; R416-P430 HydrophobicContact CB-CG 4.33Å; R416-P430 PolarHBondContact NH1-O 3.12Å
431	E	95.1	Very high	85.4	Confident	28 Å²	28	58.8 Å²	58.8	13%	0.131	30%	0.304	C	S	.	.	S	Bend	trans	-105.5	-51.7	-176.2	-55.9	-52.4	149.3	0	0	112	C216 Y246 N249 V250 Y414 R416 N429	C216-E431 PolarHBondContact SG-O 3.05Å; Y246-E431 HydrophobicContact CD2-CG 3.98Å; Y246-E431 HydrophobicContact CE2-CG 3.97Å; Y246-E431 WeakPolarHBondContact CE2-OE2 3.32Å; N249-E431 HydrophobicContact CB-CB 4.46Å; N249-E431 HydrophobicContact CB-CG 3.72Å; V250-E431 HydrophobicContact CG2-CB 4.13Å; V250-E431 HydrophobicContact CG2-CG 4.32Å; Y414-E431 WeakPolarHBondContact CE2-OE1 3.16Å; Y414-E431 PolarHBondContact OH-OE1 3.18Å; R416-E431 WeakPolarHBondContact CD-OE1 3.38Å; R416-E431 IonicContact CZ-OE1 3.72Å; R416-E431 IonicContact NE-OE1 3.94Å; R416-E431 IonicContact NH1-OE1 2.78Å; R416-E431 PolarHBondContact NH1-OE1 3.01Å; R416-E431 IonicContact NH1-OE2 2.99Å; R416-E431 PolarHBondContact NH1-OE2 2.96Å; N429-E431 VanDerWaalsContact C-N 3.3Å; N429-E431 PolarHBondContact O-N 3.38Å; N429-E431 PolarHBondContact OD1-N 3.26Å
432	V	95	Very high	83.1	Confident	2 Å²	2	62.2 Å²	62.2	1%	0.012	32%	0.323	C	S	.	.	S	Bend	trans	-104.2	112.6	-175.3	-175.6	0	0	0	0	110	C213 C216 N429 I434	C213-V432 HydrophobicContact CB-CG1 3.98Å; C216-V432 HydrophobicContact CB-CG2 4.04Å; N429-V432 PolarHBondContact OD1-N 3.41Å; V432-I434 PolarHBondContact O-N 3.31Å
433	K	93.2	Very high	81	Confident	151 Å²	151	62.1 Å²	62.1	66%	0.657	32%	0.319	S	S	*	.			trans	-72.6	113.6	174.4	-174.1	176.4	-177.2	174.4	0	110.3	S212 T435	S212-K433 PolarHBondContact OG-N 2.94Å; K433-T435 HydrophobicContact CG-CG2 4.33Å
434	I	88.6	Confident	78.6	Confident	19 Å²	19	67.1 Å²	67.1	10%	0.097	35%	0.345	C	S	.	.			trans	-85.8	118.7	171.6	-56	-175.1	0	0	0	108.9	A256 P257 F261 Q426 V432 D438 L439	A256-I434 HydrophobicContact CB-CD1 3.76Å; P257-I434 HydrophobicContact CG-CG2 4.47Å; F261-I434 HydrophobicContact CE2-CD1 4.04Å; Q426-I434 HydrophobicContact CB-CD1 3.93Å; Q426-I434 WeakPolarHBondContact O-CD1 3.48Å; V432-I434 PolarHBondContact O-N 3.31Å; I434-D438 HydrophobicContact CG2-CB 4.34Å; I434-L439 HydrophobicContact CG2-CD2 3.81Å; I434-L439 HydrophobicContact CG2-CG 4.16Å
435	T	84.5	Confident	76	Confident	53 Å²	53	66.6 Å²	66.6	33%	0.325	34%	0.337	S	S	.	.			trans	-102.2	162.5	-179.1	71.4	0	0	0	0	111.8	K433 N437 D438 L439	K433-T435 HydrophobicContact CG-CG2 4.33Å; T435-N437 PolarHBondContact O-N 3.47Å; T435-N437 VanDerWaalsContact O-N 3.1Å; T435-N437 PolarHBondContact OG1-N 3.43Å; T435-D438 WeakPolarHBondContact CA-OD2 3.31Å; T435-D438 WeakPolarHBondContact CB-OD2 2.8Å; T435-D438 PolarHBondContact N-OD2 2.84Å; T435-D438 WeakPolarHBondContact O-CB 3.49Å; T435-D438 PolarHBondContact O-N 2.92Å; T435-D438 VanDerWaalsContact OG1-CG 3.32Å; T435-D438 PolarHBondContact OG1-N 3.47Å; T435-D438 PolarHBondContact OG1-OD2 2.91Å; T435-L439 WeakPolarHBondContact O-CG 2.76Å; T435-L439 PolarHBondContact O-N 3.03Å
436	I	77.5	Confident	73.5	Confident	110 Å²	110	70.9 Å²	70.9	56%	0.564	35%	0.353	S	S	*	.	H	α-helix	trans	-55.7	-28.8	172.9	-63.1	171.7	0	0	0	111.5	L439 K440	I436-L439 CarbonylContact O-C 3.58Å; I436-L439 PolarHBondContact O-N 3.47Å; I436-K440 HydrophobicContact CG2-CD 3.61Å; I436-K440 HydrophobicContact CG2-CG 3.89Å; I436-K440 WeakPolarHBondContact O-CB 3Å; I436-K440 WeakPolarHBondContact O-CG 3.27Å; I436-K440 PolarHBondContact O-N 2.85Å
437	N	74.9	Confident	70.7	Confident	129 Å²	129	78.3 Å²	78.3	69%	0.69	39%	0.386	S	S	*	.	H	α-helix	trans	-73.6	-33.8	177.5	-69	-19	0	0	0	112.6	T435 L439 K440	T435-N437 PolarHBondContact O-N 3.47Å; T435-N437 VanDerWaalsContact O-N 3.1Å; T435-N437 PolarHBondContact OG1-N 3.43Å; N437-L439 PolarHBondContact O-N 3.38Å; N437-K440 PolarHBondContact O-N 3.31Å
438	D	75.6	Confident	68	Low	29 Å²	29	79.9 Å²	79.9	16%	0.155	39%	0.394	C	S	.	.	H	α-helix	trans	-66.9	-25.2	172.3	-53.1	-55.6	0	0	0	110.8	S210 P257 I434 T435 Y441	S210-D438 WeakPolarHBondContact CB-OD1 3.21Å; P257-D438 HydrophobicContact CB-CB 4.39Å; P257-D438 HydrophobicContact CG-CB 4.19Å; I434-D438 HydrophobicContact CG2-CB 4.34Å; T435-D438 WeakPolarHBondContact CA-OD2 3.31Å; T435-D438 WeakPolarHBondContact CB-OD2 2.8Å; T435-D438 PolarHBondContact N-OD2 2.84Å; T435-D438 WeakPolarHBondContact O-CB 3.49Å; T435-D438 PolarHBondContact O-N 2.92Å; T435-D438 VanDerWaalsContact OG1-CG 3.32Å; T435-D438 PolarHBondContact OG1-N 3.47Å; T435-D438 PolarHBondContact OG1-OD2 2.91Å; D438-Y441 PolarHBondContact O-OH 3.02Å
439	L	72.9	Confident	65.6	Low	36 Å²	36	77 Å²	77	19%	0.188	38%	0.381	C	S	.	.	H	α-helix	trans	-88.4	-34.1	173.8	-54.8	-175.3	0	0	0	112	F261 Q265 L427 I434 T435 I436 N437 Y441	F261-L439 HydrophobicContact CB-CD2 3.83Å; F261-L439 HydrophobicContact CD1-CD1 4.37Å; F261-L439 HydrophobicContact CD1-CD2 3.34Å; F261-L439 HydrophobicContact CD1-CG 4.45Å; F261-L439 HydrophobicContact CD2-CD2 3.7Å; F261-L439 HydrophobicContact CE1-CD1 4.23Å; F261-L439 HydrophobicContact CE1-CD2 3.65Å; F261-L439 HydrophobicContact CE2-CD2 4.03Å; F261-L439 HydrophobicContact CG-CD2 3.35Å; F261-L439 HydrophobicContact CZ-CD2 4Å; Q265-L439 PolarHBondContact NE2-O 3.1Å; Q265-L439 PolarHBondContact OE1-O 3.11Å; L427-L439 HydrophobicContact CD2-CD1 4.37Å; I434-L439 HydrophobicContact CG2-CD2 3.81Å; I434-L439 HydrophobicContact CG2-CG 4.16Å; T435-L439 WeakPolarHBondContact O-CG 2.76Å; T435-L439 PolarHBondContact O-N 3.03Å; I436-L439 CarbonylContact O-C 3.58Å; I436-L439 PolarHBondContact O-N 3.47Å; N437-L439 PolarHBondContact O-N 3.38Å; L439-Y441 VanDerWaalsContact C-N 3.28Å; L439-Y441 PolarHBondContact O-N 3.4Å
440	K	65.2	Low	63	Low	129 Å²	129	80.5 Å²	80.5	56%	0.561	40%	0.399	S	S	*	.			trans	-83.9	75.4	-179.2	-74.9	-178.8	-178	171.3	0	109.5	I436 N437 N442	I436-K440 HydrophobicContact CG2-CD 3.61Å; I436-K440 HydrophobicContact CG2-CG 3.89Å; I436-K440 WeakPolarHBondContact O-CB 3Å; I436-K440 WeakPolarHBondContact O-CG 3.27Å; I436-K440 PolarHBondContact O-N 2.85Å; N437-K440 PolarHBondContact O-N 3.31Å; K440-N442 PolarHBondContact O-N 3.33Å
441	Y	61.1	Low	60.2	Low	42 Å²	42	87.7 Å²	87.7	17%	0.165	42%	0.42	C	S	.	.			trans	-66	104.8	157.9	-54.6	-58.2	0	0	0	106.2	I204 P257 F262 Q265 D438 L439 F443	I204-Y441 HydrophobicContact CB-CD1 4.48Å; I204-Y441 HydrophobicContact CB-CE1 4.16Å; I204-Y441 HydrophobicContact CD1-CD1 3.84Å; I204-Y441 HydrophobicContact CD1-CD2 3.52Å; I204-Y441 HydrophobicContact CD1-CE1 3.9Å; I204-Y441 HydrophobicContact CD1-CE2 3.61Å; I204-Y441 HydrophobicContact CD1-CG 3.63Å; I204-Y441 HydrophobicContact CG1-CD1 3.49Å; I204-Y441 VanDerWaalsContact CG1-CD1 3.49Å; I204-Y441 HydrophobicContact CG1-CD2 4.15Å; I204-Y441 HydrophobicContact CG1-CE1 3.58Å; I204-Y441 HydrophobicContact CG1-CE2 4.25Å; I204-Y441 HydrophobicContact CG1-CG 3.77Å; I204-Y441 HydrophobicContact CG2-CD1 4.46Å; I204-Y441 HydrophobicContact CG2-CE1 3.66Å; P257-Y441 WeakPolarHBondContact CB-OH 3.34Å; P257-Y441 PolarHBondContact O-OH 2.86Å; F262-Y441 HydrophobicContact CB-CE2 4.24Å; Q265-Y441 VanDerWaalsContact OE1-CD2 3.23Å; D438-Y441 PolarHBondContact O-OH 3.02Å; L439-Y441 VanDerWaalsContact C-N 3.28Å; L439-Y441 PolarHBondContact O-N 3.4Å; Y441-F443 VanDerWaalsContact C-N 3.28Å; Y441-F443 WeakPolarHBondContact O-CD2 3.14Å; Y441-F443 PolarHBondContact O-N 3.04Å
442	N	45.2	Very low	57.5	Low	86 Å²	86	93.3 Å²	93.3	46%	0.46	44%	0.444	S	S	.	.			trans	-60.8	85.2	-172.1	-76.3	-53.6	0	0	0	111.5	K440 K445	K440-N442 PolarHBondContact O-N 3.33Å; N442-K445 HydrophobicContact CB-CG 4.3Å
443	F	45.9	Very low	55.1	Low	46 Å²	46	98.5 Å²	98.5	20%	0.202	47%	0.468	C	S	.	.	S	Bend	trans	-66.6	-27.1	158.4	-66.1	-89.2	0	0	0	110.1	I200 Q265 Y441 K445	I200-F443 HydrophobicContact CD1-CD1 4.16Å; I200-F443 HydrophobicContact CD1-CE1 3.21Å; I200-F443 HydrophobicContact CD1-CZ 3.78Å; I200-F443 HydrophobicContact CG1-CE1 3.92Å; I200-F443 HydrophobicContact CG1-CZ 4.38Å; I200-F443 HydrophobicContact CG2-CE1 4.42Å; I200-F443 HydrophobicContact CG2-CZ 4.08Å; Q265-F443 HydrophobicContact CB-CE2 4.06Å; Y441-F443 VanDerWaalsContact C-N 3.28Å; Y441-F443 WeakPolarHBondContact O-CD2 3.14Å; Y441-F443 PolarHBondContact O-N 3.04Å; F443-K445 PolarHBondContact O-N 3.47Å
444	L	34.3	Very low	52.5	Low	138 Å²	138	98.2 Å²	98.2	72%	0.723	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.2	-12.5	-171.6	-103.4	99.1	0	0	0	116.1	E446 K447	L444-E446 PolarHBondContact O-N 3.33Å; L444-E446 VanDerWaalsContact O-N 3.15Å; L444-K447 PolarHBondContact O-N 3.1Å; L444-K447 VanDerWaalsContact O-N 3.07Å
445	K	34.4	Very low	50.5	Low	113 Å²	113	101.1 Å²	101.1	49%	0.491	48%	0.481	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-6.7	-175.7	-88.8	-171.3	-179.9	180	0	114.2	N442 F443 K447 N448	N442-K445 HydrophobicContact CB-CG 4.3Å; F443-K445 PolarHBondContact O-N 3.47Å; K445-K447 PolarHBondContact O-N 2.82Å; K445-N448 PolarHBondContact O-N 3.14Å
446	E	37.6	Very low	48.7	Very low	103 Å²	103	104.8 Å²	104.8	48%	0.481	50%	0.495	S	S	.	.	H	α-helix	trans	-54.2	-28.3	163.5	-90.2	171.2	174.2	0	0	112.4	L444	L444-E446 PolarHBondContact O-N 3.33Å; L444-E446 VanDerWaalsContact O-N 3.15Å
447	K	33.4	Very low	47	Very low	157 Å²	157	104.9 Å²	104.9	68%	0.683	50%	0.497	S	S	*	.	H	α-helix	trans	-83.3	-26.2	-176	-144.9	173.1	-173.6	173.1	0	115	L444 K445	L444-K447 PolarHBondContact O-N 3.1Å; L444-K447 VanDerWaalsContact O-N 3.07Å; K445-K447 PolarHBondContact O-N 2.82Å
448	N	32	Very low	45.4	Very low	112 Å²	112	104.4 Å²	104.4	60%	0.599	49%	0.494	S	S	*	.	H	α-helix	trans	-94.5	-17.1	-169.7	-75	-16.8	0	0	0	114.6	K445 K452	K445-N448 PolarHBondContact O-N 3.14Å; N448-K452 PolarHBondContact O-N 3.27Å
449	V	40.6	Very low	43.8	Very low	70 Å²	70	109.1 Å²	109.1	42%	0.424	52%	0.519	S	S	.	.	H	α-helix	trans	-67	-41.1	172.3	179.8	0	0	0	0	110.1	R451 K452 E453	V449-R451 PolarHBondContact O-N 3.22Å; V449-K452 PolarHBondContact O-N 3.39Å; V449-K452 VanDerWaalsContact O-N 3.13Å; V449-E453 PolarHBondContact O-N 3.03Å
450	I	41.5	Very low	42.1	Very low	88 Å²	88	111 Å²	111	45%	0.451	54%	0.54	S	S	.	.	H	α-helix	trans	-62.5	-29.2	-179.9	-58.6	171.4	0	0	0	112.6
451	R	35.8	Very low	40.7	Very low	201 Å²	201	113.2 Å²	113.2	76%	0.758	55%	0.552	S	S	*	*	H	α-helix	trans	-80.4	-30.7	178.8	-158.9	176.6	-179.5	101.4	-1	112.6	V449 T455	V449-R451 PolarHBondContact O-N 3.22Å; R451-T455 PolarHBondContact O-N 2.76Å; R451-T455 PolarHBondContact O-OG1 3.27Å
452	K	39.1	Very low	39.2	Very low	146 Å²	146	120.1 Å²	120.1	64%	0.635	58%	0.583	S	S	*	*	H	α-helix	trans	-77.2	-39.8	-179.1	-141.6	-178.7	-177.9	-168.1	0	111.7	N448 V449 R454 T455 E456	N448-K452 PolarHBondContact O-N 3.27Å; V449-K452 PolarHBondContact O-N 3.39Å; V449-K452 VanDerWaalsContact O-N 3.13Å; K452-R454 PolarHBondContact O-N 3.18Å; K452-T455 PolarHBondContact O-N 3.02Å; K452-T455 PolarHBondContact O-OG1 3.19Å; K452-E456 PolarHBondContact O-N 3.1Å
453	E	43	Very low	38.4	Very low	111 Å²	111	122.3 Å²	122.3	52%	0.519	60%	0.599	S	S	.	*	H	α-helix	trans	-63.8	-38.9	174.9	-75	175.4	164.4	0	0	112.1	V449 T455 E456 D457	V449-E453 PolarHBondContact O-N 3.03Å; E453-T455 VanDerWaalsContact C-N 3.3Å; E453-T455 PolarHBondContact O-N 3.29Å; E453-E456 PolarHBondContact O-N 3.08Å; E453-E456 VanDerWaalsContact O-N 3.17Å; E453-D457 PolarHBondContact O-N 3.23Å
454	R	40.2	Very low	37.6	Very low	144 Å²	144	127.8 Å²	127.8	54%	0.543	63%	0.631	S	S	.	*	H	α-helix	trans	-67.3	-24.6	175.9	-82.6	-174.2	-173.9	146.4	5	114.8	K452 N458	K452-R454 PolarHBondContact O-N 3.18Å; R454-N458 PolarHBondContact O-N 3.05Å; R454-N458 PolarHBondContact O-ND2 2.65Å
455	T	45.7	Very low	37.4	Very low	80 Å²	80	127.1 Å²	127.1	49%	0.491	64%	0.637	S	S	.	*	H	α-helix	trans	-80.8	-25.4	173.4	33	0	0	0	0	113	R451 K452 E453 N459	R451-T455 PolarHBondContact O-N 2.76Å; R451-T455 PolarHBondContact O-OG1 3.27Å; K452-T455 PolarHBondContact O-N 3.02Å; K452-T455 PolarHBondContact O-OG1 3.19Å; E453-T455 VanDerWaalsContact C-N 3.3Å; E453-T455 PolarHBondContact O-N 3.29Å; T455-N459 PolarHBondContact O-ND2 3.37Å
456	E	46.1	Very low	36.9	Very low	130 Å²	130	133.2 Å²	133.2	61%	0.607	66%	0.657	S	S	*	*	H	α-helix	trans	-80.5	-38.4	176.1	-73.4	178.2	-175.1	0	0	111.3	K452 E453 N458 N459 A460	K452-E456 PolarHBondContact O-N 3.1Å; E453-E456 PolarHBondContact O-N 3.08Å; E453-E456 VanDerWaalsContact O-N 3.17Å; E456-N458 PolarHBondContact O-N 3.14Å; E456-N459 PolarHBondContact O-N 3.25Å; E456-A460 PolarHBondContact O-N 3.38Å
457	D	42.7	Very low	36.4	Very low	113 Å²	113	133.2 Å²	133.2	60%	0.604	67%	0.669	S	S	*	*	H	α-helix	trans	-68.2	-34.8	175.9	-82.2	-18.6	0	0	0	113.5	E453 N459 A460	E453-D457 PolarHBondContact O-N 3.23Å; D457-N459 PolarHBondContact O-N 3.15Å; D457-A460 PolarHBondContact O-N 2.82Å
458	N	41.8	Very low	36	Very low	118 Å²	118	133 Å²	133	63%	0.631	68%	0.675	S	S	*	*	H	α-helix	trans	-70.9	-19.8	176.5	-76.6	-18.9	0	0	0	113.3	R454 E456	R454-N458 PolarHBondContact O-N 3.05Å; R454-N458 PolarHBondContact O-ND2 2.65Å; E456-N458 PolarHBondContact O-N 3.14Å
459	N	42.4	Very low	35.7	Very low	129 Å²	129	135.4 Å²	135.4	69%	0.69	69%	0.686	S	S	*	*	H	α-helix	trans	-85.3	-21.5	173.4	-74.6	-18	0	0	0	112.1	T455 E456 D457	T455-N459 PolarHBondContact O-ND2 3.37Å; E456-N459 PolarHBondContact O-N 3.25Å; D457-N459 PolarHBondContact O-N 3.15Å
460	A	36.6	Very low	34.8	Very low	75 Å²	75	139 Å²	139	62%	0.62	70%	0.702	S	S	*	*	H	α-helix	trans	-78.4	-20.6	178.1	0	0	0	0	0	113.9	E456 D457	E456-A460 PolarHBondContact O-N 3.38Å; D457-A460 PolarHBondContact O-N 2.82Å
461	Q	35.9	Very low	34	Very low	176 Å²	176	142.8 Å²	142.8	82%	0.822	72%	0.723	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96	13.5	-179.8	-90.9	177.1	-10	0	0	115.7
462	K	29.3	Very low	33.3	Very low	186 Å²	186	138 Å²	138	81%	0.809	72%	0.716	S	S	*	*			trans	-120.2	53.3	175.4	-110.8	-177.3	-177.9	-179.6	0	112.8
463	V	28.5	Very low	32.6	Very low	132 Å²	132	138.2 Å²	138.2	80%	0.8	72%	0.724	S	S	*	*			trans	-134.2	64.1	165.7	-167.7	0	0	0	0	109.5
464	N	28.4	Very low	31.7	Very low	162 Å²	162	138.1 Å²	138.1	87%	0.866	73%	0.733	S	S	*	*			trans	-158.5	80.4	157.7	-135.5	0.2	0	0	0	111.4
465	S	29.5	Very low	30.8	Very low	123 Å²	123	137.7 Å²	137.7	86%	0.86	74%	0.741	S	S	*	*			trans	-159.1	110.5	153.4	42.8	0	0	0	0	109.5
466	R	25.1	Very low	29.7	Very low	241 Å²	241	142.6 Å²	142.6	91%	0.909	76%	0.763	S	S	*	*			trans	-68.1	165	171.3	-157.8	172.7	-173.2	167.4	0.9	109.6
467	S	27.9	Very low	28.6	Very low	103 Å²	103	141.7 Å²	141.7	72%	0.72	76%	0.762	S	S	*	*			trans	82.1	101.1	169.2	73.7	0	0	0	0	118.6
468	D	24.9	Very low	27.8	Very low	153 Å²	153	145.5 Å²	145.5	82%	0.818	78%	0.776	S	S	*	*				46.5	141.2	124.1	-54.8	-36.2	0	0	0	121.7
469	I	25.6	Very low	26.9	Very low	162 Å²	162	148.9 Å²	148.9	83%	0.831	79%	0.786	S	S	*	*			trans	108.6	97.8	158.6	-53.7	164.1	0	0	0	115
470	L	21.8	Very low	26.2	Very low	145 Å²	145	148.3 Å²	148.3	76%	0.759	79%	0.792	S	S	*	*			trans	11.4	110.9	143.1	-108	82.1	0	0	0	117.4
471	L	23.6	Very low	25.5	Very low	169 Å²	169	151.7 Å²	151.7	89%	0.885	80%	0.8	S	S	*	*			trans	-121.8	90.3	142.8	-104.7	148.2	0	0	0	107.7	N473	L471-N473 PolarHBondContact O-N 3.28Å
472	T	21.2	Very low	24.9	Very low	100 Å²	100	153.2 Å²	153.2	61%	0.613	80%	0.798	S	S	*	*			trans	-51.3	119.6	164.3	-43.4	0	0	0	0	108.9
473	N	25.4	Very low	24.8	Very low	150 Å²	150	152.5 Å²	152.5	80%	0.802	80%	0.797	S	S	*	*			trans	-142.5	134.9	142	-93.7	-29.4	0	0	0	108.8	L471 L475	L471-N473 PolarHBondContact O-N 3.28Å; N473-L475 PolarHBondContact O-N 3.45Å
474	P	22.4	Very low	24.6	Very low	109 Å²	109	149.5 Å²	149.5	71%	0.708	79%	0.793	S	S	*	*			trans	-78.2	118.2	-157.2	0.4	17.7	0	0	0	110	L476	P474-L476 PolarHBondContact O-N 3.33Å; P474-L476 VanDerWaalsContact O-N 3.14Å
475	L	21.5	Very low	24.6	Very low	136 Å²	136	146.4 Å²	146.4	71%	0.712	78%	0.784	S	S	*	*				18.1	88.2	128.6	-66.7	163.6	0	0	0	114.7	N473 N477	N473-L475 PolarHBondContact O-N 3.45Å; L475-N477 HydrophobicContact CB-CB 4.28Å; L475-N477 PolarHBondContact O-N 2.77Å
476	L	24	Very low	24.5	Very low	183 Å²	183	150.2 Å²	150.2	96%	0.958	79%	0.785	S	S	*	*			trans	-74.3	70.5	143.4	-147.9	86	0	0	0	107	P474 Q478	P474-L476 PolarHBondContact O-N 3.33Å; P474-L476 VanDerWaalsContact O-N 3.14Å; L476-Q478 PolarHBondContact O-N 3.49Å
477	N	21.5	Very low	24.7	Very low	111 Å²	111	144.6 Å²	144.6	59%	0.594	77%	0.772	S	S	*	*			trans	-75.5	108.7	167.8	-108.1	-9.5	0	0	0	107.1	L475	L475-N477 HydrophobicContact CB-CB 4.28Å; L475-N477 PolarHBondContact O-N 2.77Å
478	Q	25.9	Very low	24.9	Very low	192 Å²	192	145.2 Å²	145.2	90%	0.897	78%	0.776	S	S	*	*				-159	91.2	125.1	-104.3	173.8	31.1	0	0	108.9	L476	L476-Q478 PolarHBondContact O-N 3.49Å
479	K	24	Very low	25	Very low	190 Å²	190	145.2 Å²	145.2	83%	0.826	77%	0.772	S	S	*	*			trans	-66.2	129.8	150.9	-92.2	173	169.5	173.6	0	108
480	S	26.9	Very low	25.4	Very low	117 Å²	117	143.3 Å²	143.3	82%	0.818	77%	0.773	S	S	*	*			trans	-146.2	100.5	141.8	58.4	0	0	0	0	110.6
481	N	23.4	Very low	25.9	Very low	146 Å²	146	140.5 Å²	140.5	78%	0.781	77%	0.765	S	S	*	*			trans	-34.9	132.7	150.5	-67.5	-25.2	0	0	0	112.1
482	R	23.2	Very low	26.2	Very low	208 Å²	208	135.1 Å²	135.1	79%	0.785	75%	0.751	S	S	*	*				168.6	128.4	89	-120.9	179.8	179.9	145.9	0.6	111.4
483	E	25.4	Very low	26.6	Very low	171 Å²	171	136.7 Å²	136.7	80%	0.799	76%	0.76	S	S	*	*			trans	59.2	121.6	138.7	-74	159.5	-160	0	0	121.4
484	G	25.1	Very low	26.7	Very low	69 Å²	69	135.4 Å²	135.4	71%	0.711	75%	0.749	S	S	*	*			trans	178.2	51.3	168	0	0	0	0	0	115.7
485	S	28	Very low	26.9	Very low	97 Å²	97	134.8 Å²	134.8	68%	0.678	75%	0.745	S	S	*	*			trans	25.8	94.9	151.6	-175.3	0	0	0	0	119
486	F	28.2	Very low	27.1	Very low	202 Å²	202	133.6 Å²	133.6	89%	0.886	75%	0.748	S	S	*	*			trans	-123.7	100.4	145.8	-87.4	-83.8	0	0	0	108.2	S488	F486-S488 PolarHBondContact O-N 3.32Å
487	I	29.2	Very low	27.3	Very low	123 Å²	123	130.7 Å²	130.7	63%	0.631	73%	0.733	S	S	*	*			trans	-71	82.8	175.4	-61	175.1	0	0	0	107.2	E489	I487-E489 HydrophobicContact CG2-CB 3.55Å; I487-E489 HydrophobicContact CG2-CG 3.59Å; I487-E489 PolarHBondContact O-N 2.96Å
488	S	31.8	Very low	27.5	Very low	116 Å²	116	132.3 Å²	132.3	81%	0.811	74%	0.741	S	S	*	*			trans	-82.8	49.8	155.6	-59.5	0	0	0	0	108.6	F486 S490	F486-S488 PolarHBondContact O-N 3.32Å; S488-S490 VanDerWaalsContact C-N 3.26Å; S488-S490 PolarHBondContact O-N 2.88Å
489	E	26.3	Very low	27.7	Very low	154 Å²	154	126.9 Å²	126.9	72%	0.72	72%	0.724	S	S	*	*			trans	-82.7	80.6	176.3	-70.1	179.3	-174.8	0	0	108.8	I487	I487-E489 HydrophobicContact CG2-CB 3.55Å; I487-E489 HydrophobicContact CG2-CG 3.59Å; I487-E489 PolarHBondContact O-N 2.96Å
490	S	34.7	Very low	28	Very low	122 Å²	122	120.2 Å²	120.2	85%	0.853	71%	0.709	S	S	*	*			trans	-80.7	103.6	153.9	-176.5	0	0	0	0	108	S488	S488-S490 VanDerWaalsContact C-N 3.26Å; S488-S490 PolarHBondContact O-N 2.88Å
491	S	32.5	Very low	28.1	Very low	85 Å²	85	121.3 Å²	121.3	59%	0.594	71%	0.706	S	S	*	*			trans	-146.4	66.2	162.9	48.4	0	0	0	0	108.9	T493	S491-T493 PolarHBondContact O-N 3.41Å
492	G	30.6	Very low	28.3	Very low	57 Å²	57	120.9 Å²	120.9	59%	0.588	70%	0.702	S	S	*	*			trans	-58.8	102.6	142.4	0	0	0	0	0	105.9	H494	G492-H494 PolarHBondContact O-N 3.27Å
493	T	29	Very low	28.6	Very low	133 Å²	133	118.9 Å²	118.9	82%	0.816	71%	0.707	S	S	*	*			trans	-55.4	103.9	-176.6	32.4	0	0	0	0	109.7	S491 P495	S491-T493 PolarHBondContact O-N 3.41Å; T493-P495 WeakPolarHBondContact O-CD 3.32Å
494	H	27.5	Very low	28.7	Very low	122 Å²	122	116 Å²	116	57%	0.565	70%	0.696	S	S	*	*			trans	-80	121	170.4	-82.2	-80.8	0	0	0	108.8	G492 S496	G492-H494 PolarHBondContact O-N 3.27Å; H494-S496 PolarHBondContact O-N 2.68Å
495	P	27.2	Very low	28.8	Very low	96 Å²	96	118 Å²	118	62%	0.623	70%	0.697	S	S	*	*			trans	-68.2	128.9	165.9	-13.1	28.7	0	0	0	109.4	T493 L497	T493-P495 WeakPolarHBondContact O-CD 3.32Å; P495-L497 PolarHBondContact O-N 3.08Å
496	S	24.5	Very low	28.7	Very low	111 Å²	111	122.5 Å²	122.5	78%	0.776	71%	0.707	S	S	*	*			trans	-63.3	115	169.9	-17.2	0	0	0	0	108.7	H494	H494-S496 PolarHBondContact O-N 2.68Å
497	L	28.3	Very low	28.6	Very low	123 Å²	123	121.8 Å²	121.8	64%	0.644	71%	0.709	S	S	*	*			trans	-95.6	121.4	169.4	-72.4	172.2	0	0	0	108.7	P495	P495-L497 PolarHBondContact O-N 3.08Å
498	L	26.8	Very low	28.4	Very low	145 Å²	145	122.3 Å²	122.3	76%	0.759	71%	0.713	S	S	*	*			trans	-87.1	151.1	175.4	-85.7	153.5	0	0	0	110.8
499	S	28.3	Very low	28.4	Very low	77 Å²	77	122.1 Å²	122.1	54%	0.538	71%	0.709	S	S	.	*			trans	93.2	112.9	155.8	-54.2	0	0	0	0	119.3
500	G	31.7	Very low	28.5	Very low	50 Å²	50	123.7 Å²	123.7	52%	0.515	71%	0.709	S	S	.	*				112.9	85.5	124.1	0	0	0	0	0	117.4
501	D	27.7	Very low	28.2	Very low	140 Å²	140	123.5 Å²	123.5	75%	0.749	70%	0.702	S	S	*	*			trans	30.7	116.1	149.2	-62.9	-14.1	0	0	0	119.7
502	I	29.4	Very low	28.2	Very low	137 Å²	137	128.7 Å²	128.7	70%	0.703	72%	0.715	S	S	*	*			trans	-160.7	129.7	138.2	-86.7	132	0	0	0	109.6	I504	I502-I504 HydrophobicContact CG2-CG1 4.39Å
503	N	28.8	Very low	28	Very low	167 Å²	167	135.2 Å²	135.2	89%	0.893	73%	0.73	S	S	*	*			trans	-76.8	118.7	176.3	-70.7	-52.9	0	0	0	111.1
504	I	28.1	Very low	28	Very low	111 Å²	111	133.1 Å²	133.1	57%	0.569	72%	0.721	S	S	*	*			trans	-106.3	120.3	172.3	-56.5	176.8	0	0	0	109.1	I502	I502-I504 HydrophobicContact CG2-CG1 4.39Å
505	P	27	Very low	27.9	Very low	111 Å²	111	136.6 Å²	136.6	72%	0.721	73%	0.734	S	S	*	*			trans	-68.1	137.3	172.7	-11.7	26.5	0	0	0	110.9	M507	P505-M507 PolarHBondContact O-N 2.88Å
506	Q	24.8	Very low	27.9	Very low	191 Å²	191	137.6 Å²	137.6	89%	0.893	74%	0.741	S	S	*	*			trans	-72.4	113.7	174.5	-64.5	-178.5	-65.1	0	0	109.5
507	M	25.8	Very low	27.9	Very low	187 Å²	187	137.3 Å²	137.3	92%	0.921	74%	0.736	S	S	*	*			trans	-136.8	145.3	167	-92.8	-178.9	155.8	0	0	112.2	P505	P505-M507 PolarHBondContact O-N 2.88Å
508	N	26.5	Very low	27.6	Very low	133 Å²	133	143.4 Å²	143.4	71%	0.711	75%	0.751	S	S	*	*			trans	-65.4	143.7	-160.5	-150.2	6.5	0	0	0	112.7	Y510	N508-Y510 PolarHBondContact O-N 3.39Å
509	P	31.6	Very low	27.6	Very low	112 Å²	112	145.4 Å²	145.4	73%	0.727	75%	0.75	S	S	*	*			trans	-74.3	22	-166	-14.4	30.1	0	0	0	117.2
510	Y	27.6	Very low	27.5	Very low	188 Å²	188	150.6 Å²	150.6	74%	0.737	76%	0.763	S	S	*	*			trans	-90.7	117.4	-174.1	-77.5	-80.8	0	0	0	112.3	N508	N508-Y510 PolarHBondContact O-N 3.39Å
511	V	29.7	Very low	27.4	Very low	117 Å²	117	153.6 Å²	153.6	71%	0.709	78%	0.776	S	S	*	*			trans	69.1	100.6	152.8	-169.7	0	0	0	0	117
512	F	31.8	Very low	27.4	Very low	195 Å²	195	156 Å²	156	86%	0.855	78%	0.783	S	S	*	*			trans	-151.3	82.6	144.7	-87.9	-73.7	0	0	0	109.7
513	E	25.7	Very low	27.5	Very low	193 Å²	193	155.9 Å²	155.9	90%	0.902	79%	0.788	S	S	*	*			trans	-91.8	78.5	147.2	-85.7	-174.1	165	0	0	107
514	S	30.3	Very low	27.5	Very low	90 Å²	90	155.5 Å²	155.5	63%	0.629	79%	0.786	S	S	*	*			trans	-92.5	114.7	170.3	46.5	0	0	0	0	109.6
515	K	25.2	Very low	27.4	Very low	195 Å²	195	158.1 Å²	158.1	85%	0.848	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-50.4	143.2	162	-80.4	175.6	175.5	173.8	0	109.5
516	P	26.6	Very low	27.5	Very low	116 Å²	116	163 Å²	163	75%	0.753	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-63.7	138.2	-173.7	25.8	-32.9	0	0	0	110.8	R518	P516-R518 PolarHBondContact O-N 3.32Å
517	P	24.7	Very low	27.6	Very low	106 Å²	106	158.8 Å²	158.8	69%	0.688	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-67.4	128.2	179.8	26.9	-31.5	0	0	0	109.9	Y519	P517-Y519 HydrophobicContact CB-CD2 4.25Å; P517-Y519 PolarHBondContact O-N 2.83Å; P517-Y519 VanDerWaalsContact O-N 3.09Å
518	R	22.7	Very low	27.7	Very low	251 Å²	251	157 Å²	157	95%	0.947	79%	0.793	S	S	*	*			trans	-63	105.5	170.5	-72.6	178.5	-176.1	161.5	-0.4	108.3	P516	P516-R518 PolarHBondContact O-N 3.32Å
519	Y	25.6	Very low	27.9	Very low	187 Å²	187	157.6 Å²	157.6	73%	0.733	80%	0.801	S	S	*	*			trans	-123.4	126.7	165.4	-95.8	-86.6	0	0	0	108.9	P517	P517-Y519 HydrophobicContact CB-CD2 4.25Å; P517-Y519 PolarHBondContact O-N 2.83Å; P517-Y519 VanDerWaalsContact O-N 3.09Å
520	F	27.1	Very low	27.8	Very low	186 Å²	186	158 Å²	158	82%	0.816	80%	0.801	S	S	*	*			trans	70.8	75.9	177.6	-49.4	-72.5	0	0	0	115.4	E522	F520-E522 PolarHBondContact O-N 2.97Å
521	S	29.6	Very low	28	Very low	112 Å²	112	156 Å²	156	78%	0.783	80%	0.803	S	S	*	*			trans	-69.3	113.4	149.2	50.3	0	0	0	0	107.9	T523	S521-T523 PolarHBondContact O-N 3.4Å; S521-T523 VanDerWaalsContact O-N 3.15Å
522	E	27.4	Very low	28.2	Very low	192 Å²	192	156.7 Å²	156.7	90%	0.897	81%	0.808	S	S	*	*			trans	-47.8	114.2	171.2	-70	168.1	145.1	0	0	110	F520 D524	F520-E522 PolarHBondContact O-N 2.97Å; E522-D524 PolarHBondContact O-N 2.86Å
523	T	30.4	Very low	28.3	Very low	133 Å²	133	154.6 Å²	154.6	82%	0.816	81%	0.806	S	S	*	*			trans	-76.4	109.8	169.1	41.9	0	0	0	0	108.5	S521	S521-T523 PolarHBondContact O-N 3.4Å; S521-T523 VanDerWaalsContact O-N 3.15Å
524	D	29.1	Very low	28.8	Very low	159 Å²	159	153.1 Å²	153.1	85%	0.85	80%	0.804	S	S	*	*			trans	-51.6	135.7	173	-109.6	-32.9	0	0	0	112	E522 R526	E522-D524 PolarHBondContact O-N 2.86Å; D524-R526 PolarHBondContact O-N 3.24Å
525	N	26.9	Very low	28.8	Very low	166 Å²	166	157 Å²	157	89%	0.888	82%	0.816	S	S	*	*			trans	-58.4	103.7	176.6	-66.8	-55.4	0	0	0	111
526	R	28.5	Very low	29.2	Very low	214 Å²	214	153.1 Å²	153.1	81%	0.808	81%	0.814	S	S	*	*			trans	-132.9	106.6	155.5	-161.9	172.3	-179.7	129.6	-1.5	109.1	D524 E528	D524-R526 PolarHBondContact O-N 3.24Å; R526-E528 PolarHBondContact O-N 2.86Å
527	A	26.2	Very low	29.5	Very low	103 Å²	103	154.9 Å²	154.9	85%	0.851	82%	0.817	S	S	*	*			trans	-59	105.4	172.5	0	0	0	0	0	109.6
528	E	29.5	Very low	29.6	Very low	149 Å²	149	158.8 Å²	158.8	70%	0.696	83%	0.826	S	S	*	*			trans	-117.6	117.1	159.4	-80.7	-175.7	176.4	0	0	108.2	R526 V530	R526-E528 PolarHBondContact O-N 2.86Å; E528-V530 PolarHBondContact O-N 3.26Å; E528-V530 VanDerWaalsContact O-N 3.16Å
529	V	29.9	Very low	29.9	Very low	146 Å²	146	154 Å²	154	89%	0.885	82%	0.818	S	S	*	*			trans	-66.9	104.2	174.5	176.3	0	0	0	0	106.9
530	V	29.8	Very low	30	Very low	121 Å²	121	151.5 Å²	151.5	73%	0.733	82%	0.822	S	S	*	*			trans	-121.4	123.2	173.5	-177.5	0	0	0	0	108.8	E528	E528-V530 PolarHBondContact O-N 3.26Å; E528-V530 VanDerWaalsContact O-N 3.16Å
531	N	30.6	Very low	30.4	Very low	146 Å²	146	148.5 Å²	148.5	78%	0.781	82%	0.819	S	S	*	*			trans	-51.6	139.1	-177.8	-95.7	-27.3	0	0	0	112.8	D533	N531-D533 VanDerWaalsContact C-N 3.27Å; N531-D533 PolarHBondContact O-N 3.04Å; N531-D533 VanDerWaalsContact O-N 3.1Å
532	T	35.3	Very low	30.7	Very low	131 Å²	131	152.3 Å²	152.3	80%	0.804	82%	0.824	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.4	15.3	-169	37	0	0	0	0	117
533	D	34.3	Very low	31.3	Very low	151 Å²	151	145.8 Å²	145.8	81%	0.807	81%	0.808	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108	7.2	-171.6	-72.7	-14.1	0	0	0	115.7	N531	N531-D533 VanDerWaalsContact C-N 3.27Å; N531-D533 PolarHBondContact O-N 3.04Å; N531-D533 VanDerWaalsContact O-N 3.1Å
534	D	34.8	Very low	32	Very low	161 Å²	161	142 Å²	142	86%	0.861	79%	0.787	S	S	*	*	S	Bend	trans	-124.2	19.1	-176.8	-122.8	0.2	0	0	0	115.4
535	L	29.8	Very low	32.9	Very low	171 Å²	171	142.7 Å²	142.7	90%	0.895	78%	0.783	S	S	*	*			trans	-111.2	32.5	-179.6	-145.4	88.7	0	0	0	114.5
536	S	34.9	Very low	34	Very low	115 Å²	115	141.7 Å²	141.7	80%	0.804	78%	0.782	S	S	*	*	S	Bend	trans	-101.4	-12.3	175.4	-78.1	0	0	0	0	115.5
537	D	32.3	Very low	35	Very low	152 Å²	152	138.6 Å²	138.6	81%	0.813	78%	0.782	S	S	*	*	S	Bend	trans	-118.5	18.2	-165.6	-76.3	-8	0	0	0	116.8
538	Q	27.2	Very low	37.1	Very low	188 Å²	188	137.8 Å²	137.8	88%	0.879	76%	0.763	S	S	*	*			trans	-132.3	49.2	-179.2	-95.4	-172.4	13.8	0	0	116.4
539	I	28.5	Very low	38.6	Very low	150 Å²	150	140.1 Å²	140.1	77%	0.769	77%	0.774	S	S	*	*			trans	-141.9	78.5	154.4	-52	178.8	0	0	0	109.3	V541	I539-V541 HydrophobicContact CG2-CG2 3.76Å
540	V	28.9	Very low	40.1	Very low	136 Å²	136	140.2 Å²	140.2	82%	0.824	77%	0.769	S	S	*	*			trans	-96.8	85.7	164.3	-176.9	0	0	0	0	107.5	Q542	V540-Q542 PolarHBondContact O-N 3.21Å
541	V	33.8	Very low	42	Very low	123 Å²	123	137.1 Å²	137.1	75%	0.745	75%	0.753	S	S	*	*			trans	-83.1	109	168.4	173.9	0	0	0	0	106.9	I539 G543	I539-V541 HydrophobicContact CG2-CG2 3.76Å; V541-G543 PolarHBondContact O-N 3.44Å
542	Q	36.3	Very low	42.6	Very low	191 Å²	191	138.8 Å²	138.8	89%	0.893	76%	0.755	S	S	*	*			trans	-56.3	106.5	172.8	-77.3	167	-39.8	0	0	109.7	V540	V540-Q542 PolarHBondContact O-N 3.21Å
543	G	40.3	Very low	42.9	Very low	55 Å²	55	138.8 Å²	138.8	57%	0.567	75%	0.75	S	S	*	*			trans	-143	113.3	177.3	0	0	0	0	0	109.8	V541	V541-G543 PolarHBondContact O-N 3.44Å
544	C	45	Very low	42.9	Very low	55 Å²	55	139.4 Å²	139.4	37%	0.372	75%	0.753	S	S	.	*			trans	-69.7	137.7	161	-52.2	0	0	0	0	107.6	C551	C544-C551 HydrophobicContact CB-CB 3.65Å; C544-C551 WeakPolarHBondContact CB-SG 3.19Å; C544-C551 WeakPolarHBondContact SG-CB 3.36Å; C544-C551 CovalentContact SG-SG 2.05Å; C544-C551 PolarHBondContact SG-SG 2.87Å
545	F	48.4	Very low	43	Very low	173 Å²	173	138.4 Å²	138.4	76%	0.759	75%	0.747	S	S	*	*			trans	-74.8	155.6	173.3	-76.5	-84.2	0	0	0	110.6	D547 D548	F545-D547 PolarHBondContact O-N 3.29Å; F545-D548 PolarHBondContact O-N 3.11Å; F545-D548 VanDerWaalsContact O-N 3.14Å
546	V	50.8	Low	43.2	Very low	145 Å²	145	134.1 Å²	134.1	88%	0.879	74%	0.735	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.3	-19.1	-176.1	178.8	0	0	0	0	112.9
547	D	49.1	Very low	43.1	Very low	149 Å²	149	136.2 Å²	136.2	80%	0.797	74%	0.738	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.5	10.9	-172	-47.6	-24.1	0	0	0	113.1	F545	F545-D547 PolarHBondContact O-N 3.29Å
548	D	68.8	Low	43.2	Very low	85 Å²	85	135.7 Å²	135.7	46%	0.455	74%	0.735	S	S	.	*			trans	-99.4	89.8	-179.3	-158.8	-7.1	0	0	0	111	F545 D550 C551	F545-D548 PolarHBondContact O-N 3.11Å; F545-D548 VanDerWaalsContact O-N 3.14Å; D548-D550 PolarHBondContact O-N 2.85Å; D548-C551 HydrophobicContact CB-CB 4.37Å
549	E	61	Low	43.2	Very low	198 Å²	198	132.4 Å²	132.4	93%	0.925	73%	0.733	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.3	-11.2	-178.3	-65.5	-152.6	168.8	0	0	113.9
550	D	63	Low	43.4	Very low	149 Å²	149	132.7 Å²	132.7	80%	0.797	73%	0.734	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.2	5.8	-178.1	-65.7	-32.2	0	0	0	113.1	D548 E552	D548-D550 PolarHBondContact O-N 2.85Å; D550-E552 PolarHBondContact O-N 3.06Å; D550-E552 VanDerWaalsContact O-N 3.09Å
551	C	70.1	Confident	43.5	Very low	56 Å²	56	133.8 Å²	133.8	38%	0.378	74%	0.735	S	S	.	*			trans	-80.2	91	-176.9	-157.1	0	0	0	0	112	C544 D548 L553	C544-C551 HydrophobicContact CB-CB 3.65Å; C544-C551 WeakPolarHBondContact CB-SG 3.19Å; C544-C551 WeakPolarHBondContact SG-CB 3.36Å; C544-C551 CovalentContact SG-SG 2.05Å; C544-C551 PolarHBondContact SG-SG 2.87Å; D548-C551 HydrophobicContact CB-CB 4.37Å; C551-L553 PolarHBondContact O-N 2.92Å
552	E	41.9	Very low	43.2	Very low	180 Å²	180	135.4 Å²	135.4	84%	0.841	74%	0.74	S	S	*	*			trans	-78.3	106.8	172.5	-75.4	-174.3	162	0	0	111.7	D550 N554	D550-E552 PolarHBondContact O-N 3.06Å; D550-E552 VanDerWaalsContact O-N 3.09Å; E552-N554 PolarHBondContact O-N 3.44Å
553	L	41.2	Very low	42.8	Very low	131 Å²	131	133.3 Å²	133.3	69%	0.686	74%	0.735	S	S	*	*			trans	-74.2	105.7	174.8	-77.1	159.6	0	0	0	110.9	C551 I555	C551-L553 PolarHBondContact O-N 2.92Å; L553-I555 HydrophobicContact CB-CG1 4.4Å; L553-I555 PolarHBondContact O-N 3.28Å
554	N	35.7	Very low	42.2	Very low	165 Å²	165	137.1 Å²	137.1	88%	0.882	75%	0.747	S	S	*	*			trans	-73.1	87	168.8	-79.5	-32.3	0	0	0	110.4	E552 A556	E552-N554 PolarHBondContact O-N 3.44Å; N554-A556 PolarHBondContact O-N 3.07Å
555	I	36.5	Very low	41.4	Very low	140 Å²	140	141.4 Å²	141.4	72%	0.718	77%	0.766	S	S	*	*			trans	-79.1	111.3	171.5	-56.4	174.8	0	0	0	107.4	L553 D557	L553-I555 HydrophobicContact CB-CG1 4.4Å; L553-I555 PolarHBondContact O-N 3.28Å; I555-D557 PolarHBondContact O-N 3.22Å
556	A	34.7	Very low	40.3	Very low	80 Å²	80	140.9 Å²	140.9	66%	0.661	77%	0.772	S	S	*	*			trans	-65.9	115.9	173.3	0	0	0	0	0	109.8	N554 N558	N554-A556 PolarHBondContact O-N 3.07Å; A556-N558 VanDerWaalsContact C-N 3.33Å; A556-N558 PolarHBondContact O-N 3.39Å
557	D	32.7	Very low	39.2	Very low	160 Å²	160	144.7 Å²	144.7	86%	0.856	77%	0.77	S	S	*	*			trans	-61.7	88.6	172.2	-84.8	-30.1	0	0	0	110.2	I555 S559	I555-D557 PolarHBondContact O-N 3.22Å; D557-S559 PolarHBondContact O-N 3.17Å
558	N	32.7	Very low	38	Very low	141 Å²	141	146.1 Å²	146.1	75%	0.754	77%	0.772	S	S	*	*			trans	-83.3	97.3	165.5	-78.8	-18	0	0	0	108.1	A556 I560	A556-N558 VanDerWaalsContact C-N 3.33Å; A556-N558 PolarHBondContact O-N 3.39Å; N558-I560 PolarHBondContact O-N 3.25Å; N558-I560 VanDerWaalsContact O-N 3.14Å
559	S	28.9	Very low	35.9	Very low	119 Å²	119	152.9 Å²	152.9	83%	0.832	79%	0.793	S	S	*	*			trans	-52.9	110.7	166.8	55.2	0	0	0	0	110	D557	D557-S559 PolarHBondContact O-N 3.17Å
560	I	31.9	Very low	34.1	Very low	156 Å²	156	149.8 Å²	149.8	80%	0.8	79%	0.788	S	S	*	*			trans	-104.5	115.2	169.1	-65.3	174.6	0	0	0	106.7	N558 D562	N558-I560 PolarHBondContact O-N 3.25Å; N558-I560 VanDerWaalsContact O-N 3.14Å; I560-D562 PolarHBondContact O-N 2.93Å
561	D	30.2	Very low	32.3	Very low	158 Å²	158	146 Å²	146	85%	0.845	78%	0.784	S	S	*	*			trans	-52.5	112.9	179.1	-87.9	-45.5	0	0	0	112.4	N563	D561-N563 VanDerWaalsContact C-N 3.34Å; D561-N563 PolarHBondContact O-N 2.86Å
562	D	29.1	Very low	30.1	Very low	158 Å²	158	151.6 Å²	151.6	85%	0.845	81%	0.809	S	S	*	*			trans	-70.8	85.9	164	-99	-26	0	0	0	109.1	I560	I560-D562 PolarHBondContact O-N 2.93Å
563	N	27.4	Very low	29.3	Very low	147 Å²	147	150.8 Å²	150.8	79%	0.786	81%	0.811	S	S	*	*			trans	-164	88.4	160.1	-96.7	-34	0	0	0	109.8	D561	D561-N563 VanDerWaalsContact C-N 3.34Å; D561-N563 PolarHBondContact O-N 2.86Å
564	T	26.7	Very low	28.7	Very low	135 Å²	135	153.2 Å²	153.2	83%	0.828	82%	0.818	S	S	*	*	S	Bend	trans	-177.2	133.2	136.4	20.4	0	0	0	0	111.8
565	N	29	Very low	28.1	Very low	144 Å²	144	152.6 Å²	152.6	77%	0.77	82%	0.815	S	S	*	*			trans	92.2	62.7	163.1	-54	-30.4	0	0	0	117.2	R567	N565-R567 PolarHBondContact O-N 3.18Å
566	D	24.9	Very low	27.6	Very low	163 Å²	163	154.8 Å²	154.8	87%	0.872	82%	0.822	S	S	*	*				-43.4	108.9	128.7	-84.3	-41	0	0	0	110.8
567	R	27.2	Very low	27	Very low	225 Å²	225	155.7 Å²	155.7	85%	0.849	82%	0.824	S	S	*	*			trans	-133.4	95.1	151.7	-101.2	-174.9	178.8	169.5	0.6	108.7	N565 Y569	N565-R567 PolarHBondContact O-N 3.18Å; R567-Y569 PolarHBondContact O-N 3.29Å
568	Q	25.5	Very low	26.6	Very low	179 Å²	179	158.2 Å²	158.2	84%	0.836	83%	0.827	S	S	*	*			trans	-46.5	117.9	167.3	-71.1	169.9	-29.7	0	0	110.8
569	Y	23.8	Very low	26.2	Very low	226 Å²	226	157.3 Å²	157.3	89%	0.886	82%	0.823	S	S	*	*			trans	-107.6	113.8	157.8	-91.5	-86.1	0	0	0	108.2	R567	R567-Y569 PolarHBondContact O-N 3.29Å
570	T	23.2	Very low	25.8	Very low	133 Å²	133	158.2 Å²	158.2	82%	0.816	82%	0.818	S	S	*	*			trans	-89.6	144.3	177.4	35.4	0	0	0	0	111.1
571	G	24.2	Very low	25.4	Very low	69 Å²	69	158 Å²	158	71%	0.711	82%	0.818	S	S	*	*			trans	102.6	114.2	169.6	0	0	0	0	0	111.9
572	L	25.4	Very low	25	Very low	174 Å²	174	154.6 Å²	154.6	91%	0.911	81%	0.806	S	S	*	*			cis	-144	103.2	47.7	-69.1	156.1	0	0	0	108.9	E574	L572-E574 PolarHBondContact O-N 1.98Å
573	N	25.5	Very low	24.7	Very low	164 Å²	164	155.8 Å²	155.8	88%	0.877	81%	0.807	S	S	*	*			trans	-71.5	112.2	165.6	-95.9	-9.2	0	0	0	108.1	N575	N573-N575 PolarHBondContact O-N 2.89Å; N573-N575 VanDerWaalsContact O-N 3.13Å
574	E	27.5	Very low	24.6	Very low	182 Å²	182	153.9 Å²	153.9	85%	0.85	81%	0.805	S	S	*	*			trans	-54.9	107	154.7	-66.2	178	155.2	0	0	107.3	L572	L572-E574 PolarHBondContact O-N 1.98Å
575	N	23	Very low	24.6	Very low	151 Å²	151	157 Å²	157	81%	0.807	81%	0.807	S	S	*	*			trans	177.6	88.2	158.3	-87.6	-25.3	0	0	0	108.9	N573	N573-N575 PolarHBondContact O-N 2.89Å; N573-N575 VanDerWaalsContact O-N 3.13Å
576	E	25.8	Very low	24.3	Very low	186 Å²	186	160 Å²	160	87%	0.869	81%	0.813	S	S	*	*			trans	-126.2	98.8	145.9	-79.1	-165.9	161.4	0	0	108.5	F578	E576-F578 PolarHBondContact O-N 3.05Å
577	S	22.6	Very low	24.4	Very low	99 Å²	99	162.1 Å²	162.1	69%	0.692	82%	0.815	S	S	*	*			trans	-54	117.5	161.7	57.3	0	0	0	0	109.5	N579	S577-N579 PolarHBondContact O-N 3.47Å; S577-N579 VanDerWaalsContact O-N 3.12Å
578	F	24.2	Very low	24.1	Very low	213 Å²	213	159.5 Å²	159.5	93%	0.934	82%	0.817	S	S	*	*			trans	-64.7	105.5	168.8	-84.5	-98.1	0	0	0	109.5	E576	E576-F578 PolarHBondContact O-N 3.05Å
579	N	23.4	Very low	24.2	Very low	123 Å²	123	159.1 Å²	159.1	66%	0.658	82%	0.815	S	S	*	*			trans	-119.3	121.1	168.6	-91.8	-27.1	0	0	0	110.1	S577	S577-N579 PolarHBondContact O-N 3.47Å; S577-N579 VanDerWaalsContact O-N 3.12Å
580	N	22.4	Very low	24.3	Very low	138 Å²	138	155.2 Å²	155.2	74%	0.738	81%	0.809	S	S	*	*			trans	62.7	116.2	146.1	-53.7	-28.6	0	0	0	117
581	L	22.2	Very low	24.4	Very low	152 Å²	152	156.3 Å²	156.3	80%	0.796	81%	0.81	S	S	*	*				169	121.7	74	-164.2	67.9	0	0	0	108.5
582	S	22.3	Very low	24.7	Very low	85 Å²	85	158.8 Å²	158.8	59%	0.594	81%	0.814	S	S	*	*			trans	45.6	106.9	139.7	-48	0	0	0	0	118.2
583	E	23.4	Very low	24.6	Very low	183 Å²	183	156.6 Å²	156.6	86%	0.855	81%	0.807	S	S	*	*				57	111	90.9	-70	-176.1	146.3	0	0	113.1
584	S	25.1	Very low	24.7	Very low	108 Å²	108	155.2 Å²	155.2	76%	0.755	80%	0.8	S	S	*	*				175.7	131.8	91.9	47.6	0	0	0	0	113.4
585	K	26.1	Very low	24.7	Very low	200 Å²	200	152.3 Å²	152.3	87%	0.87	79%	0.79	S	S	*	*			trans	64.2	92.9	137	-68.1	177.5	177.7	174.4	0	118.9
586	K	23.2	Very low	24.8	Very low	208 Å²	208	151.8 Å²	151.8	90%	0.904	79%	0.787	S	S	*	*				-5.7	120.7	122.6	-74.3	176.3	172.8	177.2	0	114.9
587	K	27.5	Very low	25	Very low	206 Å²	206	152.8 Å²	152.8	90%	0.896	79%	0.789	S	S	*	*				-148.5	118.6	128.4	-124.4	-178.6	-178.9	-171.9	0	109.1
588	L	20.9	Very low	25	Very low	170 Å²	170	154 Å²	154	89%	0.89	79%	0.793	S	S	*	*			trans	-80	118.4	174.8	-175.2	84	0	0	0	107.3
589	Q	25.9	Very low	25.2	Very low	172 Å²	172	155.4 Å²	155.4	80%	0.804	79%	0.792	S	S	*	*			trans	-169.5	119.9	147.9	-129.3	155.1	-8.9	0	0	112.8
590	D	26.5	Very low	25.1	Very low	143 Å²	143	156.7 Å²	156.7	77%	0.765	79%	0.794	S	S	*	*			trans	59.8	123.2	147.8	-53.1	-17.8	0	0	0	121.8
591	D	25.7	Very low	25.2	Very low	156 Å²	156	158 Å²	158	83%	0.834	79%	0.793	S	S	*	*			trans	-50.5	148.9	169.7	-68.4	-53.5	0	0	0	113.4
592	P	29.6	Very low	25.4	Very low	121 Å²	121	156.5 Å²	156.5	79%	0.786	79%	0.79	S	S	*	*				-144.3	139.8	89.7	33.8	-15.4	0	0	0	115.8
593	V	23.5	Very low	25.4	Very low	129 Å²	129	161.6 Å²	161.6	78%	0.782	80%	0.802	S	S	*	*			trans	-5.8	118.7	146.2	-177.1	0	0	0	0	116.5
594	N	27.9	Very low	25.6	Very low	135 Å²	135	163.1 Å²	163.1	72%	0.722	81%	0.806	S	S	*	*				-172.1	130.7	124.5	-124.2	6	0	0	0	115.3
595	D	27.3	Very low	25.4	Very low	121 Å²	121	163 Å²	163	65%	0.647	80%	0.8	S	S	*	*			trans	48.8	118.3	140.8	-71.7	-26.6	0	0	0	124.3
596	N	25.2	Very low	25.4	Very low	139 Å²	139	163 Å²	163	74%	0.743	80%	0.803	S	S	*	*				48	112.2	127.6	-67.6	-35.4	0	0	0	119.5
597	K	29.9	Very low	25.3	Very low	207 Å²	207	160.4 Å²	160.4	90%	0.9	80%	0.798	S	S	*	*				179.2	123.9	114.1	-99	163.9	-176.3	173.2	0	113.7
598	T	23.1	Very low	25.2	Very low	126 Å²	126	155.8 Å²	155.8	77%	0.773	79%	0.791	S	S	*	*			trans	-45.3	139.5	157.2	-37.5	0	0	0	0	114
599	R	28.7	Very low	25.4	Very low	242 Å²	242	152.2 Å²	152.2	91%	0.913	78%	0.781	S	S	*	*			trans	172.2	101.8	155.6	-98	166.7	-173.4	-166.9	0.9	106.1
600	E	20.7	Very low	25.2	Very low	150 Å²	150	152.2 Å²	152.2	70%	0.701	78%	0.781	S	S	*	*				43.5	99	59.9	-111.5	-172.4	-170.4	0	0	113.3
601	F	24.2	Very low	25.2	Very low	166 Å²	166	155.4 Å²	155.4	73%	0.728	79%	0.788	S	S	*	*				170.8	149.3	101	-108.3	-78.7	0	0	0	114.7
602	T	26.1	Very low	25.1	Very low	119 Å²	119	153 Å²	153	73%	0.73	78%	0.778	S	S	*	*			trans	70.8	99.1	147.5	48.2	0	0	0	0	122
603	K	22	Very low	24.9	Very low	193 Å²	193	155.2 Å²	155.2	84%	0.839	78%	0.783	S	S	*	*				-13.2	133.8	126	-82.1	173.1	170.2	175.4	0	115.8
604	K	28	Very low	24.9	Very low	215 Å²	215	155.9 Å²	155.9	94%	0.935	78%	0.782	S	S	*	*			trans	-136.2	121.7	139.6	-106.3	-179.5	178.4	-176.6	0	109.4
605	T	21.3	Very low	24.9	Very low	105 Å²	105	155.3 Å²	155.3	64%	0.644	79%	0.789	S	S	*	*			trans	-99.5	127.3	176.4	-50.3	0	0	0	0	106.4	I607	T605-I607 HydrophobicContact CG2-CD1 4.27Å; T605-I607 HydrophobicContact CG2-CG1 4.23Å
606	E	26.2	Very low	24.8	Very low	199 Å²	199	156.2 Å²	156.2	93%	0.93	80%	0.798	S	S	*	*			trans	-134.6	118.5	162.7	-109.5	172.2	-170.3	0	0	108.2
607	I	21	Very low	24.7	Very low	154 Å²	154	154.1 Å²	154.1	79%	0.79	80%	0.801	S	S	*	*			trans	-101	130.6	178.6	-70.4	163.5	0	0	0	105.9	T605	T605-I607 HydrophobicContact CG2-CD1 4.27Å; T605-I607 HydrophobicContact CG2-CG1 4.23Å
608	S	25.8	Very low	24.5	Very low	109 Å²	109	150 Å²	150	76%	0.762	80%	0.798	S	S	*	*			trans	-141	112.5	159.9	71.6	0	0	0	0	112.1
609	S	24.2	Very low	24.4	Very low	95 Å²	95	151.3 Å²	151.3	66%	0.664	80%	0.8	S	S	*	*			trans	45.8	101.9	134.4	52.5	0	0	0	0	120.7
610	E	22.5	Very low	24.2	Very low	173 Å²	173	149.4 Å²	149.4	81%	0.808	80%	0.799	S	S	*	*				59.5	106.9	104	-158.4	171.8	-145.6	0	0	118.6
611	K	27.1	Very low	24.3	Very low	210 Å²	210	147.2 Å²	147.2	91%	0.913	80%	0.8	S	S	*	*			trans	-142.7	106.6	147.4	-94.1	-175	-177.9	176.2	0	110.7
612	V	22	Very low	24.4	Very low	104 Å²	104	146 Å²	146	63%	0.63	81%	0.806	S	S	*	*			trans	-70.4	130.2	166.7	173.7	0	0	0	0	108.9
613	L	26.5	Very low	24.2	Very low	169 Å²	169	148.1 Å²	148.1	89%	0.885	81%	0.813	S	S	*	*			trans	-133.8	112.2	160.8	-135.6	96.7	0	0	0	109.7
614	N	23.6	Very low	24.6	Very low	143 Å²	143	144.8 Å²	144.8	77%	0.765	81%	0.814	S	S	*	*			trans	-64.3	133.2	175.8	-63.6	-30.5	0	0	0	110.5
615	S	27.5	Very low	24.4	Very low	123 Å²	123	144 Å²	144	86%	0.86	81%	0.811	S	S	*	*			trans	-127.9	115.9	159	59.9	0	0	0	0	109.5
616	T	25.9	Very low	24.7	Very low	139 Å²	139	145.2 Å²	145.2	85%	0.853	82%	0.818	S	S	*	*			trans	-77.2	145.7	-178.2	34.4	0	0	0	0	111.9
617	A	21.7	Very low	25	Very low	96 Å²	96	145 Å²	145	79%	0.793	82%	0.817	S	S	*	*			trans	-43.5	150.8	169.7	0	0	0	0	0	115.8
618	S	25.8	Very low	25.3	Very low	120 Å²	120	141 Å²	141	84%	0.839	81%	0.813	S	S	*	*				-170.6	132.1	123	38.9	0	0	0	0	111.4
619	N	21.1	Very low	25.7	Very low	153 Å²	153	143.6 Å²	143.6	82%	0.818	82%	0.819	S	S	*	*			trans	-65.9	144.9	176.9	-67.2	-39.7	0	0	0	112
620	F	25.8	Very low	26.2	Very low	203 Å²	203	146.6 Å²	146.6	89%	0.89	83%	0.825	S	S	*	*			trans	-143.1	111.3	145.9	-105.2	-82.8	0	0	0	109.6
621	S	21.6	Very low	26.9	Very low	104 Å²	104	143 Å²	143	73%	0.727	82%	0.819	S	S	*	*			trans	-76.6	146.5	161.3	63.1	0	0	0	0	109
622	T	27.6	Very low	27.3	Very low	139 Å²	139	140.9 Å²	140.9	85%	0.853	81%	0.81	S	S	*	*			trans	-166.9	135.7	143.4	15.6	0	0	0	0	110.9
623	N	22	Very low	28.2	Very low	164 Å²	164	142.4 Å²	142.4	88%	0.877	82%	0.815	S	S	*	*			trans	-59.5	143	-177.3	-69.5	-49.9	0	0	0	114.7
624	S	30.3	Very low	28.9	Very low	123 Å²	123	138.8 Å²	138.8	86%	0.86	80%	0.797	S	S	*	*			trans	-137	98.7	146.7	60.1	0	0	0	0	110.5
625	K	23.7	Very low	29.8	Very low	200 Å²	200	138.4 Å²	138.4	87%	0.87	79%	0.788	S	S	*	*			trans	-67	151.4	156	-85.6	174	172	173.5	0	108.3
626	V	26.7	Very low	30.2	Very low	130 Å²	130	138.5 Å²	138.5	79%	0.788	78%	0.777	S	S	*	*			trans	123.9	93.5	158	178.8	0	0	0	0	112.1
627	Q	32.9	Very low	31.4	Very low	195 Å²	195	135.3 Å²	135.3	91%	0.911	76%	0.76	S	S	*	*			trans	-178.5	73.5	130.4	-104.7	154.8	-15.9	0	0	111.3
628	G	28	Very low	32.6	Very low	69 Å²	69	134.2 Å²	134.2	71%	0.711	75%	0.746	S	S	*	*			trans	-102.4	110.7	154.4	0	0	0	0	0	107.8
629	N	32.2	Very low	33.7	Very low	164 Å²	164	137 Å²	137	88%	0.877	74%	0.739	S	S	*	*			trans	-172	8.7	153.8	-98.4	-7.1	0	0	0	116.1
630	I	35	Very low	35.3	Very low	157 Å²	157	135.1 Å²	135.1	81%	0.805	73%	0.728	S	S	*	*	S	Bend	trans	-103.9	-4.5	177.5	-59	175.3	0	0	0	112.8
631	S	37	Very low	37.3	Very low	97 Å²	97	129.4 Å²	129.4	68%	0.678	71%	0.709	S	S	*	*	S	Bend	trans	-80.8	-25.2	-176.1	-177.2	0	0	0	0	114.8
632	F	35.9	Very low	39.2	Very low	166 Å²	166	128 Å²	128	73%	0.728	70%	0.699	S	S	*	*	H	α-helix	trans	-76.1	-35.2	-166.4	-143	-94.5	0	0	0	114	N634 K635	F632-N634 PolarHBondContact O-N 3.41Å; F632-K635 PolarHBondContact O-N 3Å
633	N	41.4	Very low	40.8	Very low	136 Å²	136	128.2 Å²	128.2	73%	0.727	69%	0.688	S	S	*	*	H	α-helix	trans	-68.9	-32.1	-177.2	-81	-6.3	0	0	0	113.5	S637	N633-S637 PolarHBondContact O-N 2.8Å
634	N	41.4	Very low	43	Very low	94 Å²	94	124.3 Å²	124.3	50%	0.503	67%	0.67	S	S	.	*	H	α-helix	trans	-73.7	-28.9	-179.3	-73.7	-8.3	0	0	0	112.7	F632 S638	F632-N634 PolarHBondContact O-N 3.41Å; N634-S638 PolarHBondContact O-N 3.24Å
635	K	41.6	Very low	44.7	Very low	135 Å²	135	121.7 Å²	121.7	59%	0.587	65%	0.651	S	S	*	*	H	α-helix	trans	-74.3	-32.3	179.3	-152.3	171.6	-173.1	178.3	0	112.1	F632 R639	F632-K635 PolarHBondContact O-N 3Å; K635-R639 PolarHBondContact O-N 2.89Å
636	M	36.4	Very low	46.9	Very low	124 Å²	124	116.9 Å²	116.9	61%	0.611	63%	0.634	S	S	*	*	H	α-helix	trans	-67.2	-43.5	172.1	-104.6	-74.1	-165.1	0	0	111.9	R639 L640	M636-R639 PolarHBondContact O-N 2.03Å; M636-L640 PolarHBondContact O-N 2.87Å
637	S	51.4	Low	48.4	Very low	72 Å²	72	117 Å²	117	50%	0.503	62%	0.624	S	S	.	*	H	α-helix	trans	-58.7	-50.4	179.4	172.4	0	0	0	0	112.6	N633 R639 L640 V641	N633-S637 PolarHBondContact O-N 2.8Å; S637-R639 PolarHBondContact O-N 2.88Å; S637-L640 PolarHBondContact O-N 3.2Å; S637-V641 WeakPolarHBondContact O-CG2 3.26Å; S637-V641 PolarHBondContact O-N 2.92Å
638	S	47.6	Very low	50.2	Low	73 Å²	73	110.6 Å²	110.6	51%	0.51	60%	0.601	S	S	.	*	H	α-helix	trans	-62.6	-40.4	-178.8	169.2	0	0	0	0	112.8	N634 L640 V641 C642	N634-S638 PolarHBondContact O-N 3.24Å; S638-L640 VanDerWaalsContact C-N 3.35Å; S638-L640 PolarHBondContact O-N 2.82Å; S638-V641 PolarHBondContact O-N 3.35Å; S638-C642 PolarHBondContact O-N 3.23Å; S638-C642 VanDerWaalsContact O-N 3.13Å
639	R	48.1	Very low	52.3	Low	180 Å²	180	112.8 Å²	112.8	68%	0.679	60%	0.595	S	S	*	*	H	α-helix	trans	-66.6	-36.7	176.4	-74.8	-169.2	171.9	-166.7	-3	112.3	K635 M636 S637 F643	K635-R639 PolarHBondContact O-N 2.89Å; M636-R639 PolarHBondContact O-N 2.03Å; S637-R639 PolarHBondContact O-N 2.88Å; R639-F643 PolarHBondContact O-N 3.4Å; R639-F643 VanDerWaalsContact O-N 3.09Å
640	L	54.5	Low	53.7	Low	112 Å²	112	111.8 Å²	111.8	59%	0.586	58%	0.583	S	S	*	*	H	α-helix	trans	-67.1	-40.7	177.5	-139.2	104.7	0	0	0	111.5	M636 S637 S638 F643 V644	M636-L640 PolarHBondContact O-N 2.87Å; S637-L640 PolarHBondContact O-N 3.2Å; S638-L640 VanDerWaalsContact C-N 3.35Å; S638-L640 PolarHBondContact O-N 2.82Å; L640-F643 PolarHBondContact O-N 3.01Å; L640-V644 VanDerWaalsContact O-CG2 3.29Å; L640-V644 WeakPolarHBondContact O-CG2 3.34Å; L640-V644 PolarHBondContact O-N 2.96Å
641	V	67.5	Low	54.7	Low	83 Å²	83	110 Å²	110	50%	0.503	57%	0.574	S	S	.	*	H	α-helix	trans	-64.1	-45.7	177.6	174.4	0	0	0	0	111.3	S637 S638 F643 V644 C645	S637-V641 WeakPolarHBondContact O-CG2 3.26Å; S637-V641 PolarHBondContact O-N 2.92Å; S638-V641 PolarHBondContact O-N 3.35Å; V641-F643 VanDerWaalsContact C-N 3.31Å; V641-F643 PolarHBondContact O-N 3.45Å; V641-V644 PolarHBondContact O-N 3.43Å; V641-C645 PolarHBondContact O-N 3.39Å; V641-C645 PolarHBondContact O-SG 2.6Å; V641-C645 VanDerWaalsContact O-SG 3.34Å
642	C	62.3	Low	55.9	Low	74 Å²	74	113.7 Å²	113.7	50%	0.5	57%	0.574	S	S	.	*	H	α-helix	trans	-60.9	-40.9	175.5	-73.7	0	0	0	0	111.9	S638 C645 I646	S638-C642 PolarHBondContact O-N 3.23Å; S638-C642 VanDerWaalsContact O-N 3.13Å; C642-C645 PolarHBondContact O-N 2.88Å; C642-I646 VanDerWaalsContact O-CG1 3.28Å; C642-I646 WeakPolarHBondContact O-CG1 3.11Å; C642-I646 PolarHBondContact O-N 2.81Å
643	F	61.4	Low	57.1	Low	144 Å²	144	109 Å²	109	63%	0.632	56%	0.562	S	S	*	*	H	α-helix	trans	-63.6	-43.5	177	-120.9	-88.1	0	0	0	112.1	R639 L640 V641 I646 F647	R639-F643 PolarHBondContact O-N 3.4Å; R639-F643 VanDerWaalsContact O-N 3.09Å; L640-F643 PolarHBondContact O-N 3.01Å; V641-F643 VanDerWaalsContact C-N 3.31Å; V641-F643 PolarHBondContact O-N 3.45Å; F643-I646 PolarHBondContact O-N 2.82Å; F643-F647 HydrophobicContact CD1-CD2 4.44Å; F643-F647 WeakPolarHBondContact O-CB 3.46Å; F643-F647 PolarHBondContact O-N 3.31Å
644	V	67.4	Low	57.7	Low	83 Å²	83	110.8 Å²	110.8	50%	0.503	56%	0.564	S	S	.	*	H	α-helix	trans	-64.8	-39.4	177.8	172.6	0	0	0	0	111.3	L640 V641 F647 S648	L640-V644 VanDerWaalsContact O-CG2 3.29Å; L640-V644 WeakPolarHBondContact O-CG2 3.34Å; L640-V644 PolarHBondContact O-N 2.96Å; V641-V644 PolarHBondContact O-N 3.43Å; V644-F647 PolarHBondContact O-N 3.21Å; V644-S648 WeakPolarHBondContact O-CB 3.35Å; V644-S648 PolarHBondContact O-N 2.89Å; V644-S648 PolarHBondContact O-OG 2.99Å
645	C	66.7	Low	58.5	Low	68 Å²	68	111.3 Å²	111.3	46%	0.459	57%	0.571	S	S	.	*	H	α-helix	trans	-64	-46.7	176.1	-71.5	0	0	0	0	112	V641 C642 F647 S648 I649	V641-C645 PolarHBondContact O-N 3.39Å; V641-C645 PolarHBondContact O-SG 2.6Å; V641-C645 VanDerWaalsContact O-SG 3.34Å; C642-C645 PolarHBondContact O-N 2.88Å; C645-F647 PolarHBondContact O-N 2.98Å; C645-S648 PolarHBondContact O-N 2.93Å; C645-I649 VanDerWaalsContact O-CG1 3.3Å; C645-I649 WeakPolarHBondContact O-CG1 3.21Å; C645-I649 PolarHBondContact O-N 2.78Å
646	I	69.8	Low	58.9	Low	99 Å²	99	110.1 Å²	110.1	51%	0.508	58%	0.578	S	S	.	*	H	α-helix	trans	-63.8	-42.3	178.7	-65.7	165.6	0	0	0	110.6	C642 F643 I649 K650	C642-I646 VanDerWaalsContact O-CG1 3.28Å; C642-I646 WeakPolarHBondContact O-CG1 3.11Å; C642-I646 PolarHBondContact O-N 2.81Å; F643-I646 PolarHBondContact O-N 2.82Å; I646-I649 PolarHBondContact O-N 3.36Å; I646-K650 PolarHBondContact O-N 3.38Å; I646-K650 VanDerWaalsContact O-N 3.08Å
647	F	58.9	Low	59.3	Low	131 Å²	131	114.1 Å²	114.1	58%	0.575	60%	0.601	S	S	*	*	H	α-helix	trans	-65.4	-39.1	177.4	-122.4	-88.2	0	0	0	112.2	F643 V644 C645 K650 L651	F643-F647 HydrophobicContact CD1-CD2 4.44Å; F643-F647 WeakPolarHBondContact O-CB 3.46Å; F643-F647 PolarHBondContact O-N 3.31Å; V644-F647 PolarHBondContact O-N 3.21Å; C645-F647 PolarHBondContact O-N 2.98Å; F647-K650 PolarHBondContact O-N 3.25Å; F647-L651 WeakPolarHBondContact O-CB 3.42Å; F647-L651 PolarHBondContact O-N 3.35Å
648	S	69.2	Low	59.7	Low	62 Å²	62	116.3 Å²	116.3	43%	0.434	61%	0.606	S	S	.	*	H	α-helix	trans	-65.1	-40.2	178.3	-58.2	0	0	0	0	111.8	V644 C645 L651 Y652	V644-S648 WeakPolarHBondContact O-CB 3.35Å; V644-S648 PolarHBondContact O-N 2.89Å; V644-S648 PolarHBondContact O-OG 2.99Å; C645-S648 PolarHBondContact O-N 2.93Å; S648-L651 PolarHBondContact O-N 3.18Å; S648-Y652 WeakPolarHBondContact O-CB 3.31Å; S648-Y652 PolarHBondContact O-N 3.31Å
649	I	72.1	Confident	60.4	Low	114 Å²	114	118.5 Å²	118.5	59%	0.585	61%	0.611	S	S	*	*	H	α-helix	trans	-65.5	-41.3	176.2	-66.7	164.4	0	0	0	110.9	C645 I646 S653	C645-I649 VanDerWaalsContact O-CG1 3.3Å; C645-I649 WeakPolarHBondContact O-CG1 3.21Å; C645-I649 PolarHBondContact O-N 2.78Å; I646-I649 PolarHBondContact O-N 3.36Å; I649-S653 WeakPolarHBondContact O-CB 3.42Å; I649-S653 PolarHBondContact O-N 3.27Å; I649-S653 PolarHBondContact O-OG 3.21Å
650	K	61.4	Low	61.1	Low	144 Å²	144	115.1 Å²	115.1	63%	0.626	61%	0.607	S	S	*	*	H	α-helix	trans	-66.1	-40.4	175.4	-79.7	-168.4	173.8	-173.3	0	112.4	I646 F647 S653 F654	I646-K650 PolarHBondContact O-N 3.38Å; I646-K650 VanDerWaalsContact O-N 3.08Å; F647-K650 PolarHBondContact O-N 3.25Å; K650-S653 PolarHBondContact O-N 3.32Å; K650-F654 PolarHBondContact O-N 3.14Å; K650-F654 VanDerWaalsContact O-N 3.08Å
651	L	57.3	Low	61.4	Low	118 Å²	118	115.3 Å²	115.3	62%	0.618	61%	0.608	S	S	*	*	H	α-helix	trans	-66.3	-40.3	178.5	-149.6	82.7	0	0	0	111.6	F647 S648 S653 F654 T655	F647-L651 WeakPolarHBondContact O-CB 3.42Å; F647-L651 PolarHBondContact O-N 3.35Å; S648-L651 PolarHBondContact O-N 3.18Å; L651-S653 VanDerWaalsContact C-N 3.34Å; L651-F654 PolarHBondContact O-N 3.27Å; L651-T655 PolarHBondContact O-N 3.13Å; L651-T655 PolarHBondContact O-OG1 3.12Å
652	Y	60.9	Low	61.1	Low	175 Å²	175	117.3 Å²	117.3	69%	0.686	62%	0.615	S	S	*	*	H	α-helix	trans	-66.5	-35.5	175.6	-119.9	-85.8	0	0	0	112.8	S648 F654 T655 C656	S648-Y652 WeakPolarHBondContact O-CB 3.31Å; S648-Y652 PolarHBondContact O-N 3.31Å; Y652-F654 VanDerWaalsContact C-N 3.29Å; Y652-T655 PolarHBondContact O-OG1 3.04Å; Y652-C656 PolarHBondContact O-N 3.28Å
653	S	63	Low	61	Low	67 Å²	67	120.2 Å²	120.2	47%	0.469	62%	0.622	S	S	.	*	H	α-helix	trans	-69.1	-30.9	176.1	-58.9	0	0	0	0	111.8	I649 K650 L651 L657	I649-S653 WeakPolarHBondContact O-CB 3.42Å; I649-S653 PolarHBondContact O-N 3.27Å; I649-S653 PolarHBondContact O-OG 3.21Å; K650-S653 PolarHBondContact O-N 3.32Å; L651-S653 VanDerWaalsContact C-N 3.34Å; S653-L657 PolarHBondContact O-N 3.17Å
654	F	52.3	Low	60.9	Low	175 Å²	175	118.5 Å²	118.5	77%	0.768	62%	0.622	S	S	*	*	H	α-helix	trans	-80	-22.3	178.3	-118.9	-82.6	0	0	0	114.3	K650 L651 Y652	K650-F654 PolarHBondContact O-N 3.14Å; K650-F654 VanDerWaalsContact O-N 3.08Å; L651-F654 PolarHBondContact O-N 3.27Å; Y652-F654 VanDerWaalsContact C-N 3.29Å
655	T	59.2	Low	60.4	Low	105 Å²	105	121.2 Å²	121.2	64%	0.644	63%	0.631	S	S	*	*	H	α-helix	trans	-88.8	-11.2	174.4	47.9	0	0	0	0	113.6	L651 Y652	L651-T655 PolarHBondContact O-N 3.13Å; L651-T655 PolarHBondContact O-OG1 3.12Å; Y652-T655 PolarHBondContact O-OG1 3.04Å
656	C	49.5	Very low	59.9	Low	110 Å²	110	125.7 Å²	125.7	74%	0.743	65%	0.645	S	S	*	*	H	α-helix	trans	-95.7	-13.2	173	-83.2	0	0	0	0	114.3	Y652	Y652-C656 PolarHBondContact O-N 3.28Å
657	L	45.5	Very low	59	Low	208 Å²	208	128.1 Å²	128.1	100%	1.089	66%	0.658	S	S	*	*			trans	-86.6	0	161.7	-102.3	99.9	0	0	0	109.5	S653	S653-L657 PolarHBondContact O-N 3.17Å

Retrieved 657 of 657 residues in 483.3 ms (Link to these results)

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