A0A5K4F236_SCHMA Loading...

BEN domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F236, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 795 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.3	Very low	49.3	Very low	142 Å²	142	100.1 Å²	100.1	70%	0.7	51%	0.514	S	S	*	.				0	138.7	0	-169.2	-170.3	-118.2	0	0	108.3	V5 M6 Y117	M1-V5 HydrophobicContact CE-CB 4.25Å; M1-V5 HydrophobicContact CE-CG1 3.63Å; M1-V5 HydrophobicContact CG-CB 3.88Å; M1-V5 HydrophobicContact CG-CG1 4.31Å; M1-V5 HydrophobicContact CG-CG2 4.41Å; M1-V5 HydrophobicContact SD-CB 3.78Å; M1-V5 HydrophobicContact SD-CG1 3.8Å; M1-M6 HydrophobicContact SD-CG 4.07Å; M1-Y117 HydrophobicContact CB-CE2 4.47Å
2	P	58.3	Low	50	Low	84 Å²	84	100.7 Å²	100.7	55%	0.545	51%	0.513	S	S	.	.			trans	-62.5	147.2	177.4	-22.5	34.1	0	0	0	112.6	S4 V5	P2-S4 PolarHBondContact O-N 3.48Å; P2-V5 HydrophobicContact CB-CG2 4.36Å; P2-V5 HydrophobicContact CG-CG2 4.45Å; P2-V5 PolarHBondContact O-N 3.12Å
3	R	43.3	Very low	50	Low	199 Å²	199	100.1 Å²	100.1	75%	0.751	50%	0.504	S	S	*	.	H	α-helix	trans	-55.1	-35.8	-179.3	-174.9	178.4	178.7	178.3	-0.2	112.8	V5 M6 I7	R3-V5 VanDerWaalsContact C-N 3.31Å; R3-V5 PolarHBondContact O-N 3.48Å; R3-M6 PolarHBondContact O-N 2.72Å; R3-I7 HydrophobicContact CG-CD1 3.95Å; R3-I7 WeakPolarHBondContact O-CG1 3.34Å; R3-I7 PolarHBondContact O-N 2.98Å
4	S	47	Very low	50	Low	66 Å²	66	97.4 Å²	97.4	46%	0.462	49%	0.493	S	S	.	.	H	α-helix	trans	-57.3	-38.6	176.1	49	0	0	0	0	113.5	P2 I7 H8	P2-S4 PolarHBondContact O-N 3.48Å; S4-I7 PolarHBondContact O-N 2.76Å; S4-H8 WeakPolarHBondContact O-CB 3.23Å; S4-H8 PolarHBondContact O-N 3.03Å
5	V	52	Low	50.3	Low	59 Å²	59	98.5 Å²	98.5	36%	0.358	50%	0.495	S	S	.	.	H	α-helix	trans	-78.2	-32.1	-177.2	-165.1	0	0	0	0	111.4	M1 P2 R3 H8 A9	M1-V5 HydrophobicContact CE-CB 4.25Å; M1-V5 HydrophobicContact CE-CG1 3.63Å; M1-V5 HydrophobicContact CG-CB 3.88Å; M1-V5 HydrophobicContact CG-CG1 4.31Å; M1-V5 HydrophobicContact CG-CG2 4.41Å; M1-V5 HydrophobicContact SD-CB 3.78Å; M1-V5 HydrophobicContact SD-CG1 3.8Å; P2-V5 HydrophobicContact CB-CG2 4.36Å; P2-V5 HydrophobicContact CG-CG2 4.45Å; P2-V5 PolarHBondContact O-N 3.12Å; R3-V5 VanDerWaalsContact C-N 3.31Å; R3-V5 PolarHBondContact O-N 3.48Å; V5-H8 PolarHBondContact O-N 3.23Å; V5-A9 WeakPolarHBondContact O-CB 3.31Å; V5-A9 PolarHBondContact O-N 3.17Å
6	M	42.6	Very low	50.3	Low	83 Å²	83	99.2 Å²	99.2	41%	0.409	49%	0.494	S	S	.	.	H	α-helix	trans	-66.1	-41.3	169.7	-63.8	-167.5	-61.5	0	0	111.5	M1 R3 A9 M10	M1-M6 HydrophobicContact SD-CG 4.07Å; R3-M6 PolarHBondContact O-N 2.72Å; M6-A9 PolarHBondContact O-N 2.92Å; M6-M10 WeakPolarHBondContact O-CG 3.36Å; M6-M10 PolarHBondContact O-N 3.2Å
7	I	55.6	Low	50.1	Low	85 Å²	85	95.9 Å²	95.9	44%	0.436	48%	0.479	S	S	.	.	H	α-helix	trans	-62.8	-44	174.3	-69.4	169.5	0	0	0	110.6	R3 S4 A9 M10 H11	R3-I7 HydrophobicContact CG-CD1 3.95Å; R3-I7 WeakPolarHBondContact O-CG1 3.34Å; R3-I7 PolarHBondContact O-N 2.98Å; S4-I7 PolarHBondContact O-N 2.76Å; I7-A9 PolarHBondContact O-N 2.98Å; I7-M10 PolarHBondContact O-N 3.47Å; I7-H11 PolarHBondContact O-CD2 2.9Å; I7-H11 PolarHBondContact O-N 3.49Å
8	H	54.7	Low	49.9	Very low	103 Å²	103	95.8 Å²	95.8	48%	0.477	48%	0.48	S	S	.	.	H	α-helix	trans	-60.4	-44.4	175.5	-171.4	-75	0	0	0	112	S4 V5 H11 Q12	S4-H8 WeakPolarHBondContact O-CB 3.23Å; S4-H8 PolarHBondContact O-N 3.03Å; V5-H8 PolarHBondContact O-N 3.23Å; H8-H11 PolarHBondContact O-N 3.28Å; H8-Q12 PolarHBondContact CE1-OE1 2.95Å; H8-Q12 PolarHBondContact ND1-OE1 3.25Å; H8-Q12 WeakPolarHBondContact O-CG 3.39Å; H8-Q12 PolarHBondContact O-N 3.05Å
9	A	47.2	Very low	50.3	Low	51 Å²	51	94.8 Å²	94.8	42%	0.421	48%	0.48	S	S	.	.	H	α-helix	trans	-63.8	-40.6	176.5	0	0	0	0	0	112.5	V5 M6 I7 Q12 F13	V5-A9 WeakPolarHBondContact O-CB 3.31Å; V5-A9 PolarHBondContact O-N 3.17Å; M6-A9 PolarHBondContact O-N 2.92Å; I7-A9 PolarHBondContact O-N 2.98Å; A9-Q12 PolarHBondContact O-N 3.43Å; A9-F13 WeakPolarHBondContact O-CB 3.29Å; A9-F13 PolarHBondContact O-N 3.15Å
10	M	48.6	Very low	50.3	Low	108 Å²	108	95.2 Å²	95.2	53%	0.532	48%	0.476	S	S	.	.	H	α-helix	trans	-67.5	-35.7	174.1	-72.9	-164.4	72.7	0	0	112.9	M6 I7 F13 N14	M6-M10 WeakPolarHBondContact O-CG 3.36Å; M6-M10 PolarHBondContact O-N 3.2Å; I7-M10 PolarHBondContact O-N 3.47Å; M10-F13 PolarHBondContact O-N 3.26Å; M10-N14 WeakPolarHBondContact O-CB 3.45Å; M10-N14 PolarHBondContact O-N 3.38Å
11	H	56.3	Low	50.2	Low	121 Å²	121	94 Å²	94	56%	0.56	47%	0.47	S	S	*	.	H	α-helix	trans	-64.5	-47.3	172.8	-95	-82.7	0	0	0	111.7	I7 H8 F13 N14 E15	I7-H11 PolarHBondContact O-CD2 2.9Å; I7-H11 PolarHBondContact O-N 3.49Å; H8-H11 PolarHBondContact O-N 3.28Å; H11-F13 VanDerWaalsContact C-N 3.29Å; H11-F13 PolarHBondContact O-N 3.25Å; H11-N14 PolarHBondContact O-N 3.02Å; H11-N14 VanDerWaalsContact O-N 3.17Å; H11-E15 WeakPolarHBondContact O-CG 3.44Å; H11-E15 PolarHBondContact O-N 2.83Å
12	Q	57.2	Low	50.7	Low	107 Å²	107	91.3 Å²	91.3	50%	0.5	46%	0.459	S	S	.	.	H	α-helix	trans	-61.8	-36.3	175.5	-70	-175.1	-72.1	0	0	112.5	H8 A9 F16	H8-Q12 PolarHBondContact CE1-OE1 2.95Å; H8-Q12 PolarHBondContact ND1-OE1 3.25Å; H8-Q12 WeakPolarHBondContact O-CG 3.39Å; H8-Q12 PolarHBondContact O-N 3.05Å; A9-Q12 PolarHBondContact O-N 3.43Å; Q12-F16 VanDerWaalsContact O-CB 3.28Å; Q12-F16 WeakPolarHBondContact O-CB 3.43Å; Q12-F16 PolarHBondContact O-N 2.92Å
13	F	49.7	Very low	50.7	Low	93 Å²	93	91.9 Å²	91.9	41%	0.408	46%	0.457	S	S	.	.	H	α-helix	trans	-67	-39.2	175.1	-166.1	-75	0	0	0	111.8	A9 M10 H11 F16 N17	A9-F13 WeakPolarHBondContact O-CB 3.29Å; A9-F13 PolarHBondContact O-N 3.15Å; M10-F13 PolarHBondContact O-N 3.26Å; H11-F13 VanDerWaalsContact C-N 3.29Å; H11-F13 PolarHBondContact O-N 3.25Å; F13-F16 PolarHBondContact O-N 2.88Å; F13-N17 WeakPolarHBondContact O-CB 3.48Å; F13-N17 PolarHBondContact O-N 3.41Å
14	N	49.8	Very low	51.2	Low	63 Å²	63	86.4 Å²	86.4	34%	0.337	44%	0.439	S	S	.	.	H	α-helix	trans	-71.2	-45	176.2	-73.1	-5.5	0	0	0	111.5	M10 H11 F16 N17 D18 R255	M10-N14 WeakPolarHBondContact O-CB 3.45Å; M10-N14 PolarHBondContact O-N 3.38Å; H11-N14 PolarHBondContact O-N 3.02Å; H11-N14 VanDerWaalsContact O-N 3.17Å; N14-F16 PolarHBondContact O-N 2.94Å; N14-N17 PolarHBondContact O-N 3.16Å; N14-D18 WeakPolarHBondContact O-CB 3.04Å; N14-D18 PolarHBondContact O-N 3.34Å; N14-R255 PolarHBondContact OD1-NH1 2.93Å
15	E	54.3	Low	50.9	Low	114 Å²	114	90.2 Å²	90.2	53%	0.533	44%	0.444	S	S	.	.	H	α-helix	trans	-54	-40.8	171.5	-73.7	-177.1	144.2	0	0	111.6	H11 T19	H11-E15 WeakPolarHBondContact O-CG 3.44Å; H11-E15 PolarHBondContact O-N 2.83Å; E15-T19 VanDerWaalsContact O-CB 3.28Å; E15-T19 WeakPolarHBondContact O-CB 3.36Å; E15-T19 PolarHBondContact O-N 3.32Å; E15-T19 PolarHBondContact O-OG1 3.21Å
16	F	50.6	Low	50.6	Low	109 Å²	109	93.3 Å²	93.3	48%	0.478	46%	0.459	S	S	.	.	H	α-helix	trans	-67.9	-41.5	175.7	-174.4	-90.2	0	0	0	112.7	Q12 F13 N14 Y20 H107	Q12-F16 VanDerWaalsContact O-CB 3.28Å; Q12-F16 WeakPolarHBondContact O-CB 3.43Å; Q12-F16 PolarHBondContact O-N 2.92Å; F13-F16 PolarHBondContact O-N 2.88Å; N14-F16 PolarHBondContact O-N 2.94Å; F16-Y20 VanDerWaalsContact O-CB 3.28Å; F16-Y20 WeakPolarHBondContact O-CB 3.47Å; F16-Y20 PolarHBondContact O-N 3.19Å; F16-H107 AromaticContact CZ-NE2 3.63Å
17	N	46.9	Very low	50.5	Low	44 Å²	44	94.5 Å²	94.5	24%	0.235	47%	0.466	C	S	.	.	H	α-helix	trans	-66.1	-42.5	176.3	-102.3	19.2	0	0	0	112.3	F13 N14 Y20 I21	F13-N17 WeakPolarHBondContact O-CB 3.48Å; F13-N17 PolarHBondContact O-N 3.41Å; N14-N17 PolarHBondContact O-N 3.16Å; N17-Y20 PolarHBondContact O-N 3.35Å; N17-I21 WeakPolarHBondContact O-CB 3.3Å; N17-I21 VanDerWaalsContact O-CG1 3.29Å; N17-I21 WeakPolarHBondContact O-CG1 3.47Å; N17-I21 PolarHBondContact O-N 2.58Å
18	D	47.5	Very low	49.7	Very low	93 Å²	93	93.1 Å²	93.1	50%	0.497	46%	0.464	S	S	.	.	H	α-helix	trans	-64.6	-46.6	177.6	-61.1	-23.5	0	0	0	109	N14 Y20 I21 D22	N14-D18 WeakPolarHBondContact O-CB 3.04Å; N14-D18 PolarHBondContact O-N 3.34Å; D18-Y20 VanDerWaalsContact C-N 3.28Å; D18-Y20 PolarHBondContact O-N 3.32Å; D18-I21 PolarHBondContact O-N 2.92Å; D18-I21 VanDerWaalsContact O-N 3.14Å; D18-D22 PolarHBondContact O-N 2.92Å
19	T	57.1	Low	49.1	Very low	77 Å²	77	93.9 Å²	93.9	47%	0.472	47%	0.471	S	S	.	.	H	α-helix	trans	-58.3	-36.6	171.8	-54.5	0	0	0	0	112.6	E15 N23	E15-T19 VanDerWaalsContact O-CB 3.28Å; E15-T19 WeakPolarHBondContact O-CB 3.36Å; E15-T19 PolarHBondContact O-N 3.32Å; E15-T19 PolarHBondContact O-OG1 3.21Å; T19-N23 VanDerWaalsContact O-CB 3.24Å; T19-N23 WeakPolarHBondContact O-CB 3.42Å; T19-N23 PolarHBondContact O-N 3Å; T19-N23 PolarHBondContact O-ND2 3.35Å
20	Y	50.5	Low	48.8	Very low	102 Å²	102	99 Å²	99	40%	0.4	49%	0.486	S	S	.	.	H	α-helix	trans	-72.4	-36.7	176.7	177.8	-96.2	0	0	0	112.4	F16 N17 D18 K24	F16-Y20 VanDerWaalsContact O-CB 3.28Å; F16-Y20 WeakPolarHBondContact O-CB 3.47Å; F16-Y20 PolarHBondContact O-N 3.19Å; N17-Y20 PolarHBondContact O-N 3.35Å; D18-Y20 VanDerWaalsContact C-N 3.28Å; D18-Y20 PolarHBondContact O-N 3.32Å; Y20-K24 HydrophobicContact CD1-CD 4.42Å; Y20-K24 HydrophobicContact CE1-CD 3.61Å; Y20-K24 WeakPolarHBondContact O-CB 3.43Å; Y20-K24 PolarHBondContact O-N 3.47Å; Y20-K24 VanDerWaalsContact O-N 3.08Å; Y20-K24 PolarHBondContact OH-NZ 3.21Å
21	I	47.1	Very low	48.4	Very low	71 Å²	71	101.7 Å²	101.7	36%	0.364	50%	0.497	S	S	.	.	H	α-helix	trans	-68.4	-47	175.7	-72.9	165.7	0	0	0	109.9	N17 D18 N23 K24 Y25	N17-I21 WeakPolarHBondContact O-CB 3.3Å; N17-I21 VanDerWaalsContact O-CG1 3.29Å; N17-I21 WeakPolarHBondContact O-CG1 3.47Å; N17-I21 PolarHBondContact O-N 2.58Å; D18-I21 PolarHBondContact O-N 2.92Å; D18-I21 VanDerWaalsContact O-N 3.14Å; I21-N23 PolarHBondContact O-N 3.02Å; I21-K24 PolarHBondContact O-N 2.89Å; I21-K24 VanDerWaalsContact O-N 3.12Å; I21-Y25 HydrophobicContact CG2-CD2 4.08Å; I21-Y25 WeakPolarHBondContact O-CB 3.42Å; I21-Y25 WeakPolarHBondContact O-CD2 3.43Å; I21-Y25 PolarHBondContact O-N 3.32Å
22	D	49	Very low	47.4	Very low	86 Å²	86	105.3 Å²	105.3	46%	0.46	51%	0.508	S	S	.	.	H	α-helix	trans	-58.4	-49.2	176.1	-70.2	-14.9	0	0	0	111	D18 K24 D26	D18-D22 PolarHBondContact O-N 2.92Å; D22-K24 PolarHBondContact O-N 2.96Å; D22-D26 WeakPolarHBondContact O-CA 3.24Å; D22-D26 PolarHBondContact O-N 3.4Å
23	N	58.5	Low	46.2	Very low	96 Å²	96	110.1 Å²	110.1	51%	0.513	52%	0.523	S	S	.	.	H	α-helix	trans	-63.4	-23.1	177.2	-75.5	-30.5	0	0	0	114.2	T19 I21 Y366	T19-N23 VanDerWaalsContact O-CB 3.24Å; T19-N23 WeakPolarHBondContact O-CB 3.42Å; T19-N23 PolarHBondContact O-N 3Å; T19-N23 PolarHBondContact O-ND2 3.35Å; I21-N23 PolarHBondContact O-N 3.02Å; N23-Y366 WeakPolarHBondContact OD1-CE1 3.4Å; N23-Y366 PolarHBondContact OD1-OH 3.37Å
24	K	52.3	Low	45.4	Very low	84 Å²	84	115.1 Å²	115.1	37%	0.365	54%	0.54	S	S	.	.	H	α-helix	trans	-101.7	-22.2	-174.7	-171.6	174.2	-177	-178.8	0	113.8	Y20 I21 D22 N336	Y20-K24 HydrophobicContact CD1-CD 4.42Å; Y20-K24 HydrophobicContact CE1-CD 3.61Å; Y20-K24 WeakPolarHBondContact O-CB 3.43Å; Y20-K24 PolarHBondContact O-N 3.47Å; Y20-K24 VanDerWaalsContact O-N 3.08Å; Y20-K24 PolarHBondContact OH-NZ 3.21Å; I21-K24 PolarHBondContact O-N 2.89Å; I21-K24 VanDerWaalsContact O-N 3.12Å; D22-K24 PolarHBondContact O-N 2.96Å; K24-N336 PolarHBondContact NZ-OD1 3.12Å
25	Y	41.7	Very low	44.5	Very low	145 Å²	145	115.2 Å²	115.2	57%	0.569	56%	0.556	S	S	*	*	H	α-helix	trans	-124	-5.4	-175.1	-64.7	-78.4	0	0	0	114.7	I21 I27	I21-Y25 HydrophobicContact CG2-CD2 4.08Å; I21-Y25 WeakPolarHBondContact O-CB 3.42Å; I21-Y25 WeakPolarHBondContact O-CD2 3.43Å; I21-Y25 PolarHBondContact O-N 3.32Å; Y25-I27 WeakPolarHBondContact O-CG1 3.44Å; Y25-I27 PolarHBondContact O-N 3.35Å; Y25-I27 VanDerWaalsContact O-N 3.15Å
26	D	45.3	Very low	43.6	Very low	124 Å²	124	115.1 Å²	115.1	66%	0.663	57%	0.568	S	S	*	*			trans	53.8	34.3	172.1	-157.5	23.6	0	0	0	113.9	D22 S28	D22-D26 WeakPolarHBondContact O-CA 3.24Å; D22-D26 PolarHBondContact O-N 3.4Å; D26-S28 PolarHBondContact O-N 3.14Å
27	I	39.9	Very low	42.8	Very low	109 Å²	109	116.6 Å²	116.6	56%	0.559	58%	0.581	S	S	*	*			trans	-80.6	71.3	-176.2	-48.1	-177.1	0	0	0	109.6	Y25 D29	Y25-I27 WeakPolarHBondContact O-CG1 3.44Å; Y25-I27 PolarHBondContact O-N 3.35Å; Y25-I27 VanDerWaalsContact O-N 3.15Å; I27-D29 PolarHBondContact O-N 3.44Å
28	S	40	Very low	42.2	Very low	56 Å²	56	124.6 Å²	124.6	39%	0.392	61%	0.613	S	S	.	*			trans	-56.4	110.5	179.4	42	0	0	0	0	112.9	D26 E30 Q31	D26-S28 PolarHBondContact O-N 3.14Å; S28-E30 PolarHBondContact O-N 2.69Å; S28-Q31 PolarHBondContact O-N 3.14Å; S28-Q31 VanDerWaalsContact O-N 3.09Å
29	D	41.3	Very low	41.7	Very low	119 Å²	119	130.7 Å²	130.7	64%	0.636	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.4	-14.9	-179	-152.3	20.9	0	0	0	113.2	I27 Q31 Y32 Y33	I27-D29 PolarHBondContact O-N 3.44Å; D29-Q31 PolarHBondContact O-N 2.92Å; D29-Q31 VanDerWaalsContact O-N 3.17Å; D29-Y32 PolarHBondContact O-N 3.26Å; D29-Y33 PolarHBondContact O-N 3.47Å
30	E	41.9	Very low	40.7	Very low	158 Å²	158	137.4 Å²	137.4	74%	0.738	65%	0.652	S	S	*	*	H	α-helix	trans	-54.9	-28.6	170.8	-59.7	-160.5	139.4	0	0	113.4	S28 Y32	S28-E30 PolarHBondContact O-N 2.69Å; E30-Y32 VanDerWaalsContact C-N 3.34Å
31	Q	39.9	Very low	40.1	Very low	164 Å²	164	143.5 Å²	143.5	77%	0.766	68%	0.675	S	S	*	*	H	α-helix	trans	-71.3	-25.7	175.6	-64.3	-159.6	28.8	0	0	113.4	S28 D29	S28-Q31 PolarHBondContact O-N 3.14Å; S28-Q31 VanDerWaalsContact O-N 3.09Å; D29-Q31 PolarHBondContact O-N 2.92Å; D29-Q31 VanDerWaalsContact O-N 3.17Å
32	Y	35.7	Very low	39.5	Very low	197 Å²	197	150.5 Å²	150.5	77%	0.773	70%	0.702	S	S	*	*	H	α-helix	trans	-86.9	-33.3	-178.6	-95.3	-83.5	0	0	0	113.6	D29 E30	D29-Y32 PolarHBondContact O-N 3.26Å; E30-Y32 VanDerWaalsContact C-N 3.34Å
33	Y	32.5	Very low	39.1	Very low	208 Å²	208	152.6 Å²	152.6	82%	0.816	72%	0.718	S	S	*	*	H	α-helix	trans	-89.4	-25	-170.2	-131.8	-98.7	0	0	0	115.9	D29	D29-Y33 PolarHBondContact O-N 3.47Å
34	Y	31.6	Very low	38	Very low	199 Å²	199	152.7 Å²	152.7	78%	0.78	73%	0.732	S	S	*	*	S	Bend	trans	-95.8	0.4	-174.2	-89	-80.4	0	0	0	116.3	S36	Y34-S36 PolarHBondContact O-N 2.68Å
35	G	31.7	Very low	37.2	Very low	65 Å²	65	153 Å²	153	67%	0.67	75%	0.751	S	S	*	*	S	Bend	trans	-68.2	-28.1	-178.2	0	0	0	0	0	115.8
36	S	35.7	Very low	37	Very low	111 Å²	111	152.2 Å²	152.2	78%	0.776	76%	0.763	S	S	*	*	S	Bend	trans	-128.5	32	-151.2	-63.2	0	0	0	0	117.7	Y34	Y34-S36 PolarHBondContact O-N 2.68Å
37	N	31.9	Very low	36.7	Very low	141 Å²	141	155.5 Å²	155.5	75%	0.754	78%	0.775	S	S	*	*			trans	-152.3	50.1	168.2	-120.7	-36.5	0	0	0	118.5	R39	N37-R39 PolarHBondContact O-N 2.85Å
38	K	36.2	Very low	36.6	Very low	211 Å²	211	159.1 Å²	159.1	92%	0.917	79%	0.786	S	S	*	*			trans	-76.1	59.1	170.9	-71.4	-171.9	178.6	176.3	0	113.8
39	R	37	Very low	36.3	Very low	222 Å²	222	168.3 Å²	168.3	84%	0.838	81%	0.812	S	S	*	*			trans	-109	104.4	168.5	-91.9	-176.1	166.4	174.8	-3.4	111.4	N37 R41	N37-R39 PolarHBondContact O-N 2.85Å; R39-R41 PolarHBondContact O-N 3.22Å; R39-R41 VanDerWaalsContact O-N 3.09Å
40	K	35.3	Very low	36.1	Very low	218 Å²	218	170.8 Å²	170.8	95%	0.948	82%	0.82	S	S	*	*			trans	-59.5	109.1	172.2	-67.2	-176.6	178.7	-177.3	0	110.3
41	R	37.3	Very low	36.1	Very low	230 Å²	230	168.8 Å²	168.8	87%	0.868	82%	0.824	S	S	*	*			trans	-96	122	157.1	-86.4	-175.9	162.9	173.1	-5.4	108.7	R39	R39-R41 PolarHBondContact O-N 3.22Å; R39-R41 VanDerWaalsContact O-N 3.09Å
42	K	35	Very low	35.7	Very low	217 Å²	217	167.1 Å²	167.1	94%	0.943	83%	0.825	S	S	*	*			trans	-73.6	127.7	159.3	-75.8	-177.2	173.3	-175.6	0	107.2
43	T	41.2	Very low	36	Very low	130 Å²	130	166.8 Å²	166.8	80%	0.798	83%	0.83	S	S	*	*			trans	-131.4	125.1	162.9	38.8	0	0	0	0	107
44	A	34.5	Very low	36.2	Very low	98 Å²	98	165.8 Å²	165.8	81%	0.81	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-70.9	156.9	178.7	0	0	0	0	0	110.9
45	A	36	Very low	36.3	Very low	91 Å²	91	159.6 Å²	159.6	75%	0.752	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-68.6	150.5	171.5	0	0	0	0	0	110.6	Q47	A45-Q47 PolarHBondContact O-N 2.99Å
46	P	37.8	Very low	36.6	Very low	128 Å²	128	162.2 Å²	162.2	83%	0.831	84%	0.838	S	S	*	*	P	Polyproline II helix	trans	-66	129.1	178.8	-18.1	31.7	0	0	0	111.4
47	Q	38.3	Very low	36.5	Very low	193 Å²	193	166 Å²	166	90%	0.902	84%	0.84	S	S	*	*	P	Polyproline II helix	trans	-65.8	132.1	165.2	-92.7	174.4	-59.5	0	0	109.6	A45	A45-Q47 PolarHBondContact O-N 2.99Å
48	K	37.5	Very low	36.7	Very low	185 Å²	185	168.2 Å²	168.2	80%	0.804	85%	0.846	S	S	*	*	P	Polyproline II helix	trans	-62.6	137.9	158.6	-74.1	-175.5	173.5	-174.7	0	108.4
49	R	34.4	Very low	36.6	Very low	249 Å²	249	164.7 Å²	164.7	94%	0.94	84%	0.838	S	S	*	*	P	Polyproline II helix	trans	-86.7	126.7	153.7	-73.8	178.7	173.4	146.5	-4	107
50	E	36.1	Very low	36.6	Very low	172 Å²	172	164 Å²	164	80%	0.804	84%	0.841	S	S	*	*	P	Polyproline II helix	trans	-95.4	148.2	164.1	-70.4	173	166	0	0	107.9
51	S	42.5	Very low	36.6	Very low	116 Å²	116	162 Å²	162	81%	0.811	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-87.2	133	-179.2	44.6	0	0	0	0	110.6
52	T	31.7	Very low	36.3	Very low	128 Å²	128	155.8 Å²	155.8	79%	0.785	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-74.4	123.8	175.2	-53	0	0	0	0	110.9
53	E	42.6	Very low	36.3	Very low	190 Å²	190	154 Å²	154	89%	0.888	82%	0.817	S	S	*	*			trans	-130.2	139.9	153.1	-72	-170.7	139.3	0	0	108.3
54	E	35.1	Very low	35.8	Very low	187 Å²	187	153.9 Å²	153.9	87%	0.874	81%	0.811	S	S	*	*			trans	-100.6	139.9	178.3	-59.4	-174.4	141.9	0	0	109.8
55	G	34.7	Very low	35.7	Very low	69 Å²	69	157.4 Å²	157.4	71%	0.711	81%	0.808	S	S	*	*			trans	173.7	117	173.4	0	0	0	0	0	115.2
56	S	36.9	Very low	35.3	Very low	120 Å²	120	160.2 Å²	160.2	84%	0.839	81%	0.81	S	S	*	*			trans	34.7	106.2	156.3	52.7	0	0	0	0	119.7
57	K	34.9	Very low	34.8	Very low	191 Å²	191	158.9 Å²	158.9	83%	0.83	80%	0.804	S	S	*	*			trans	-30.5	148	148.2	-49.4	160.7	-179.4	172.2	0	113.9
58	E	36.1	Very low	34.3	Very low	187 Å²	187	155.6 Å²	155.6	87%	0.874	80%	0.797	S	S	*	*				-164.1	160.7	95.4	-103.7	173.4	-165.9	0	0	112.5
59	D	33.7	Very low	33.8	Very low	138 Å²	138	157.2 Å²	157.2	74%	0.738	81%	0.805	S	S	*	*			trans	-79.5	151.5	-171.9	-70.8	-90.7	0	0	0	113.5
60	F	37.4	Very low	33.4	Very low	208 Å²	208	148 Å²	148	91%	0.912	79%	0.787	S	S	*	*				-166.9	90.6	119.8	-105.4	-66.1	0	0	0	114.5
61	K	34.6	Very low	32.9	Very low	176 Å²	176	145.8 Å²	145.8	77%	0.765	79%	0.788	S	S	*	*			trans	15.4	111.4	146.9	-100.4	177	173.2	170.8	0	121.4
62	T	31	Very low	32.3	Very low	99 Å²	99	148.4 Å²	148.4	61%	0.607	79%	0.791	S	S	*	*				58.8	110.6	123.5	58.6	0	0	0	0	121.8
63	M	35.3	Very low	32	Very low	179 Å²	179	148.7 Å²	148.7	88%	0.882	79%	0.788	S	S	*	*				-136.8	97.6	123.7	-98	-60.7	140.7	0	0	112.3
64	L	29.8	Very low	31.2	Very low	128 Å²	128	146.7 Å²	146.7	67%	0.67	78%	0.783	S	S	*	*			trans	2.5	136.5	131.7	-100.9	62.9	0	0	0	116.8
65	K	33.6	Very low	30.8	Very low	172 Å²	172	143.7 Å²	143.7	75%	0.748	78%	0.777	S	S	*	*			cis	-150.8	152.8	15.7	-75.2	168.3	-177.2	166.1	0	112.4
66	N	27	Very low	30.5	Very low	149 Å²	149	147.3 Å²	147.3	80%	0.797	79%	0.785	S	S	*	*				19.9	145.7	129.1	-42.4	-3.9	0	0	0	118.4
67	S	26.7	Very low	30.1	Very low	100 Å²	100	149.2 Å²	149.2	70%	0.699	78%	0.778	S	S	*	*				-172.6	135.8	51.6	-159.9	0	0	0	0	115.9
68	T	28.6	Very low	29.8	Very low	125 Å²	125	148.9 Å²	148.9	77%	0.767	78%	0.78	S	S	*	*			trans	53.6	117.3	132.6	-48	0	0	0	0	121.6
69	F	27.2	Very low	29.3	Very low	218 Å²	218	144.8 Å²	144.8	96%	0.956	76%	0.764	S	S	*	*			trans	-55.5	130.6	155.9	-92.7	-108.7	0	0	0	112
70	G	27	Very low	28.9	Very low	56 Å²	56	145.1 Å²	145.1	58%	0.577	77%	0.766	S	S	*	*			trans	-133.7	138.9	171.7	0	0	0	0	0	112.4
71	P	24.7	Very low	28.6	Very low	125 Å²	125	141.9 Å²	141.9	81%	0.812	76%	0.763	S	S	*	*			trans	-79.3	119.4	177	31.3	-32.4	0	0	0	110.9	N73	P71-N73 PolarHBondContact O-N 3.19Å
72	I	30.1	Very low	28.2	Very low	172 Å²	172	140.6 Å²	140.6	88%	0.882	76%	0.763	S	S	*	*			trans	-80.1	115.6	177.8	-58.4	179.5	0	0	0	109.5
73	N	25.2	Very low	28.2	Very low	134 Å²	134	140.7 Å²	140.7	72%	0.717	77%	0.765	S	S	*	*			trans	-99	132.5	175.4	-108.3	-34.9	0	0	0	111	P71	P71-N73 PolarHBondContact O-N 3.19Å
74	L	24.9	Very low	27.7	Very low	148 Å²	148	136.4 Å²	136.4	78%	0.775	75%	0.753	S	S	*	*	S	Bend	trans	36.3	120.5	142.8	-71.3	166.5	0	0	0	120.7
75	V	27.3	Very low	27.5	Very low	124 Å²	124	133.3 Å²	133.3	75%	0.752	74%	0.74	S	S	*	*			trans	69.6	103.1	146.2	-173.6	0	0	0	0	117.4
76	T	28.8	Very low	27.2	Very low	145 Å²	145	129 Å²	129	89%	0.89	72%	0.724	S	S	*	*			trans	-113	147.7	139	39.1	0	0	0	0	109.3
77	K	29.2	Very low	27.1	Very low	160 Å²	160	126.2 Å²	126.2	70%	0.696	71%	0.709	S	S	*	*			trans	-135.9	104.7	-172.3	174.4	-153.3	164.6	-171.3	0	109.3	N79	K77-N79 WeakPolarHBondContact CE-OD1 3.29Å; K77-N79 PolarHBondContact O-ND2 3.08Å
78	E	28.7	Very low	27.1	Very low	183 Å²	183	125 Å²	125	86%	0.855	71%	0.713	S	S	*	*			trans	-131.1	104.8	167.1	-64.7	-178.2	-165.2	0	0	106.2
79	N	25	Very low	27	Very low	101 Å²	101	124.1 Å²	124.1	54%	0.54	71%	0.708	S	S	.	*				86.8	127.5	59.3	-71.4	-21.7	0	0	0	111.6	K77	K77-N79 WeakPolarHBondContact CE-OD1 3.29Å; K77-N79 PolarHBondContact O-ND2 3.08Å
80	N	25.9	Very low	26.8	Very low	146 Å²	146	121.9 Å²	121.9	78%	0.781	70%	0.7	S	S	*	*			trans	71.6	137.7	169.2	-43.9	-28.5	0	0	0	114
81	V	29.5	Very low	26.9	Very low	140 Å²	140	131.3 Å²	131.3	85%	0.848	72%	0.718	S	S	*	*			cis	-126.8	146.5	8.1	173.8	0	0	0	0	110.7
82	L	26.9	Very low	26.9	Very low	149 Å²	149	131.2 Å²	131.2	78%	0.78	72%	0.721	S	S	*	*			trans	-106.3	-177.3	176.1	-84.5	106.9	0	0	0	109.8
83	P	31.2	Very low	26.7	Very low	100 Å²	100	128.5 Å²	128.5	65%	0.649	72%	0.717	S	S	*	*				-140.5	-140.4	-59.5	43.5	-25.4	0	0	0	111
84	S	24.5	Very low	26.7	Very low	90 Å²	90	130.7 Å²	130.7	63%	0.629	72%	0.723	S	S	*	*			trans	74.8	151.6	143.5	46.9	0	0	0	0	122.9
85	T	25.8	Very low	26.9	Very low	63 Å²	63	130.2 Å²	130.2	39%	0.387	73%	0.726	S	S	.	*			cis	-171.5	163.8	-33.1	29.1	0	0	0	0	110.7	V516 Q517	T85-V516 PolarHBondContact OG1-O 2.88Å; T85-Q517 VanDerWaalsContact O-CA 3.29Å; T85-Q517 WeakPolarHBondContact O-CA 3.47Å
86	L	26.8	Very low	26.8	Very low	81 Å²	81	131.1 Å²	131.1	42%	0.424	73%	0.725	S	S	.	*			trans	64.1	168.1	151.5	-90.3	61.6	0	0	0	116.2	S515 Q517	L86-S515 WeakPolarHBondContact CD2-OG 3.34Å; L86-Q517 HydrophobicContact CB-CG 3.93Å; L86-Q517 WeakPolarHBondContact O-CG 3.45Å
87	N	25.6	Very low	26.8	Very low	90 Å²	90	127.8 Å²	127.8	48%	0.481	72%	0.72	S	S	.	*			cis	-133	160.1	-15.7	-89.5	-49.4	0	0	0	108	Q517	N87-Q517 HydrophobicContact CB-CG 4.12Å; N87-Q517 PolarHBondContact ND2-OE1 3Å
88	G	26.4	Very low	26.6	Very low	75 Å²	75	126.7 Å²	126.7	77%	0.773	72%	0.722	S	S	*	*			trans	-162	12.2	176.2	0	0	0	0	0	117.9
89	T	26.2	Very low	26.5	Very low	107 Å²	107	122.8 Å²	122.8	66%	0.656	72%	0.715	S	S	*	*			trans	42.4	104	159.7	-50.1	0	0	0	0	119.8
90	E	24.6	Very low	26.6	Very low	171 Å²	171	123.3 Å²	123.3	80%	0.799	72%	0.717	S	S	*	*			trans	57	117	141.4	-59.7	165.1	-151.6	0	0	120.7
91	R	28.3	Very low	26.9	Very low	253 Å²	253	121.2 Å²	121.2	96%	0.955	71%	0.705	S	S	*	*				-158.6	139	97.3	-103.3	169.9	-169.3	-152.1	0.5	112
92	S	24.2	Very low	27	Very low	124 Å²	124	120.1 Å²	120.1	87%	0.867	70%	0.699	S	S	*	*			trans	-82.8	130.4	176	50.1	0	0	0	0	111.4
93	S	26.6	Very low	27.7	Very low	114 Å²	114	115.2 Å²	115.2	80%	0.797	68%	0.675	S	S	*	*			trans	-144.8	138.4	157.7	-164.3	0	0	0	0	108.2
94	E	23.8	Very low	28.2	Very low	180 Å²	180	113.5 Å²	113.5	84%	0.841	66%	0.664	S	S	*	*			trans	-84.6	130.3	-174.5	-63	167.2	136.6	0	0	109.6
95	V	29.2	Very low	29.2	Very low	139 Å²	139	113.4 Å²	113.4	84%	0.842	66%	0.662	S	S	*	*			trans	-115.5	106.5	172.6	-179.5	0	0	0	0	107.9
96	L	27	Very low	30.2	Very low	142 Å²	142	115.4 Å²	115.4	74%	0.743	67%	0.667	S	S	*	*			trans	-64.4	132	170.5	-78.5	70.8	0	0	0	108.8
97	G	27.3	Very low	31	Very low	75 Å²	75	115.8 Å²	115.8	77%	0.773	67%	0.666	S	S	*	*			trans	-92.3	98.6	170.4	0	0	0	0	0	110.1	S99	G97-S99 PolarHBondContact O-N 3.21Å
98	D	24.7	Very low	32.2	Very low	137 Å²	137	115.7 Å²	115.7	73%	0.733	67%	0.669	S	S	*	*			trans	-63	97.9	179.1	-76.9	-38.6	0	0	0	111.8	N100	D98-N100 PolarHBondContact O-N 3.07Å
99	S	26.6	Very low	33.4	Very low	101 Å²	101	118.4 Å²	118.4	71%	0.706	66%	0.655	S	S	*	*			trans	-72	80.7	171.7	60.2	0	0	0	0	110.1	G97 I101	G97-S99 PolarHBondContact O-N 3.21Å; S99-I101 PolarHBondContact O-N 3.24Å
100	N	27.7	Very low	34.7	Very low	112 Å²	112	118.2 Å²	118.2	60%	0.599	65%	0.65	S	S	*	*			trans	-58	100.9	172.2	-90.1	-76	0	0	0	110.1	D98 T102	D98-N100 PolarHBondContact O-N 3.07Å; N100-T102 VanDerWaalsContact C-N 3.31Å; N100-T102 PolarHBondContact O-N 2.95Å
101	I	32.2	Very low	35.8	Very low	102 Å²	102	114 Å²	114	52%	0.523	63%	0.627	S	S	.	*			trans	-73.7	89	173.5	-57.5	178.8	0	0	0	107.7	S99 T103 S325 T329	S99-I101 PolarHBondContact O-N 3.24Å; I101-T103 PolarHBondContact O-N 3.45Å; I101-S325 PolarHBondContact O-OG 3.45Å; I101-T329 HydrophobicContact CD1-CG2 4.3Å
102	T	31.9	Very low	37.3	Very low	118 Å²	118	104 Å²	104	72%	0.724	60%	0.598	S	S	*	*			trans	-69	114	170.4	9.1	0	0	0	0	109.1	N100	N100-T102 VanDerWaalsContact C-N 3.31Å; N100-T102 PolarHBondContact O-N 2.95Å
103	T	41.4	Very low	39	Very low	45 Å²	45	100.8 Å²	100.8	28%	0.276	58%	0.579	S	S	.	*			trans	-59.4	125.3	172.9	40	0	0	0	0	109.6	I101 S325	I101-T103 PolarHBondContact O-N 3.45Å; T103-S325 PolarHBondContact N-OG 3Å
104	P	41.8	Very low	40.6	Very low	64 Å²	64	99.3 Å²	99.3	42%	0.416	56%	0.561	S	S	.	*			trans	-67.3	141.7	-173.9	25.8	-33.8	0	0	0	110.2	E106 H107	P104-E106 PolarHBondContact O-N 2.97Å; P104-H107 PolarHBondContact O-N 3.4Å
105	P	45.8	Very low	42.3	Very low	89 Å²	89	92.1 Å²	92.1	58%	0.578	53%	0.528	S	S	*	.	H	α-helix	trans	-64.8	-5.6	-176.1	25.8	-35.1	0	0	0	113.8	R109	P105-R109 WeakPolarHBondContact O-CB 3.25Å; P105-R109 VanDerWaalsContact O-CG 3.29Å; P105-R109 WeakPolarHBondContact O-CG 3.32Å; P105-R109 PolarHBondContact O-N 3.25Å; P105-R109 PolarHBondContact O-NE 3Å
106	E	45.5	Very low	43.6	Very low	105 Å²	105	90.5 Å²	90.5	49%	0.491	52%	0.515	S	S	.	.	H	α-helix	trans	-73.9	-35.6	168.1	-68.5	-178.4	173.2	0	0	112.5	P104 R109 L110	P104-E106 PolarHBondContact O-N 2.97Å; E106-R109 PolarHBondContact O-N 3.19Å; E106-R109 IonicContact OE1-NH2 2.68Å; E106-L110 VanDerWaalsContact O-CB 3.25Å; E106-L110 WeakPolarHBondContact O-CB 3.25Å; E106-L110 PolarHBondContact O-N 3.43Å
107	H	45.4	Very low	44.9	Very low	88 Å²	88	87.7 Å²	87.7	41%	0.407	50%	0.495	S	S	.	.	H	α-helix	trans	-64.4	-45.7	173.7	-86	-127.6	0	0	0	111.5	F16 P104 R109 L110 Y111	F16-H107 AromaticContact CZ-NE2 3.63Å; P104-H107 PolarHBondContact O-N 3.4Å; H107-R109 PolarHBondContact O-N 2.93Å; H107-L110 PolarHBondContact O-N 3.31Å; H107-Y111 VanDerWaalsContact O-CB 3.27Å; H107-Y111 WeakPolarHBondContact O-CB 3.45Å; H107-Y111 PolarHBondContact O-N 2.77Å
108	V	49.8	Very low	46.2	Very low	89 Å²	89	86.1 Å²	86.1	54%	0.539	47%	0.467	S	S	.	.	H	α-helix	trans	-62.3	-42.9	178.8	-176.4	0	0	0	0	111.1	A112	V108-A112 WeakPolarHBondContact O-CB 3.32Å; V108-A112 PolarHBondContact O-N 3.01Å
109	R	51.1	Low	48	Very low	132 Å²	132	82.4 Å²	82.4	50%	0.498	45%	0.447	S	S	.	.	H	α-helix	trans	-68.4	-38.7	176.9	-73.6	178.5	-67.7	175.6	3.8	112.8	P105 E106 H107 A113	P105-R109 WeakPolarHBondContact O-CB 3.25Å; P105-R109 VanDerWaalsContact O-CG 3.29Å; P105-R109 WeakPolarHBondContact O-CG 3.32Å; P105-R109 PolarHBondContact O-N 3.25Å; P105-R109 PolarHBondContact O-NE 3Å; E106-R109 PolarHBondContact O-N 3.19Å; E106-R109 IonicContact OE1-NH2 2.68Å; H107-R109 PolarHBondContact O-N 2.93Å; R109-A113 VanDerWaalsContact O-CB 3.31Å; R109-A113 WeakPolarHBondContact O-CB 3.29Å; R109-A113 PolarHBondContact O-N 3.42Å
110	L	54	Low	49.7	Very low	102 Å²	102	84.3 Å²	84.3	53%	0.534	45%	0.449	S	S	.	.	H	α-helix	trans	-67.2	-43.6	175.7	-178.4	61.5	0	0	0	111.5	E106 H107 A113 M114	E106-L110 VanDerWaalsContact O-CB 3.25Å; E106-L110 WeakPolarHBondContact O-CB 3.25Å; E106-L110 PolarHBondContact O-N 3.43Å; H107-L110 PolarHBondContact O-N 3.31Å; L110-A113 PolarHBondContact O-N 2.97Å; L110-M114 HydrophobicContact CG-SD 4.37Å; L110-M114 WeakPolarHBondContact O-CG 3.37Å; L110-M114 PolarHBondContact O-N 2.95Å
111	Y	48	Very low	50.8	Low	82 Å²	82	84.1 Å²	84.1	32%	0.322	44%	0.442	S	S	.	.	H	α-helix	trans	-59.3	-49.5	174.9	-176.4	-95.9	0	0	0	111	H107 A113 M114 L115 S262 Y266	H107-Y111 VanDerWaalsContact O-CB 3.27Å; H107-Y111 WeakPolarHBondContact O-CB 3.45Å; H107-Y111 PolarHBondContact O-N 2.77Å; Y111-A113 VanDerWaalsContact C-N 3.34Å; Y111-A113 PolarHBondContact O-N 2.88Å; Y111-M114 PolarHBondContact O-N 3.28Å; Y111-L115 HydrophobicContact CD1-CD1 4.3Å; Y111-L115 HydrophobicContact CE1-CD1 3.59Å; Y111-L115 WeakPolarHBondContact O-CB 3.25Å; Y111-L115 PolarHBondContact O-N 3.01Å; Y111-S262 PolarHBondContact OH-O 3.25Å; Y111-S262 VanDerWaalsContact OH-O 3.06Å; Y111-Y266 HydrophobicContact CE1-CD2 4.27Å; Y111-Y266 WeakPolarHBondContact OH-CB 3.31Å
112	A	59.7	Low	51.6	Low	43 Å²	43	82.3 Å²	82.3	36%	0.355	43%	0.429	S	S	.	.	H	α-helix	trans	-61.2	-38.2	175.3	0	0	0	0	0	113	V108 L115 N116	V108-A112 WeakPolarHBondContact O-CB 3.32Å; V108-A112 PolarHBondContact O-N 3.01Å; A112-L115 PolarHBondContact O-N 3.25Å; A112-N116 WeakPolarHBondContact O-CB 3.47Å; A112-N116 PolarHBondContact O-N 3.26Å; A112-N116 PolarHBondContact O-ND2 3.04Å; A112-N116 VanDerWaalsContact O-ND2 3.1Å
113	A	60.4	Low	52.2	Low	57 Å²	57	86.1 Å²	86.1	47%	0.471	44%	0.436	S	S	.	.	H	α-helix	trans	-67	-39	175.3	0	0	0	0	0	112.5	R109 L110 Y111 Y117	R109-A113 VanDerWaalsContact O-CB 3.31Å; R109-A113 WeakPolarHBondContact O-CB 3.29Å; R109-A113 PolarHBondContact O-N 3.42Å; L110-A113 PolarHBondContact O-N 2.97Å; Y111-A113 VanDerWaalsContact C-N 3.34Å; Y111-A113 PolarHBondContact O-N 2.88Å; A113-Y117 WeakPolarHBondContact O-CB 3.46Å; A113-Y117 PolarHBondContact O-N 3.18Å
114	M	58.7	Low	51.9	Low	83 Å²	83	85.9 Å²	85.9	41%	0.409	44%	0.439	S	S	.	.	H	α-helix	trans	-65.5	-44.9	172.9	-74	176.6	63.6	0	0	111.4	L110 Y111 Y117 F118	L110-M114 HydrophobicContact CG-SD 4.37Å; L110-M114 WeakPolarHBondContact O-CG 3.37Å; L110-M114 PolarHBondContact O-N 2.95Å; Y111-M114 PolarHBondContact O-N 3.28Å; M114-Y117 CarbonylContact O-C 3.5Å; M114-Y117 WeakPolarHBondContact O-CA 3.43Å; M114-Y117 WeakPolarHBondContact O-CB 3.29Å; M114-Y117 PolarHBondContact O-N 2.69Å; M114-F118 HydrophobicContact CB-CE2 4.42Å; M114-F118 HydrophobicContact CE-CE2 4.34Å; M114-F118 WeakPolarHBondContact O-CD2 3.33Å; M114-F118 PolarHBondContact O-N 3.46Å
115	L	59.3	Low	51.6	Low	30 Å²	30	86.8 Å²	86.8	16%	0.157	45%	0.446	C	S	.	.	H	α-helix	trans	-64.3	-43.2	-179.3	-143.4	156.8	0	0	0	111.2	Y111 A112 Y117 F118 L119 Y266	Y111-L115 HydrophobicContact CD1-CD1 4.3Å; Y111-L115 HydrophobicContact CE1-CD1 3.59Å; Y111-L115 WeakPolarHBondContact O-CB 3.25Å; Y111-L115 PolarHBondContact O-N 3.01Å; A112-L115 PolarHBondContact O-N 3.25Å; L115-Y117 VanDerWaalsContact C-N 3.32Å; L115-Y117 PolarHBondContact O-N 2.83Å; L115-F118 PolarHBondContact O-N 3.48Å; L115-L119 HydrophobicContact CD2-CD1 4.02Å; L115-L119 HydrophobicContact CD2-CG 4.48Å; L115-L119 WeakPolarHBondContact O-CB 3.48Å; L115-L119 PolarHBondContact O-N 3.01Å; L115-Y266 HydrophobicContact CD1-CD1 3.9Å; L115-Y266 HydrophobicContact CD1-CD2 4.49Å; L115-Y266 HydrophobicContact CD1-CE1 3.69Å; L115-Y266 HydrophobicContact CD1-CE2 4.33Å; L115-Y266 HydrophobicContact CD1-CG 4.29Å; L115-Y266 HydrophobicContact CD2-CE1 4.24Å
116	N	58.2	Low	51	Low	105 Å²	105	89.1 Å²	89.1	56%	0.561	45%	0.454	S	S	*	.	H	α-helix	trans	-62.2	-34.4	170	-77.3	-39.1	0	0	0	113.1	A112 L120	A112-N116 WeakPolarHBondContact O-CB 3.47Å; A112-N116 PolarHBondContact O-N 3.26Å; A112-N116 PolarHBondContact O-ND2 3.04Å; A112-N116 VanDerWaalsContact O-ND2 3.1Å; N116-L120 VanDerWaalsContact O-CB 3.29Å; N116-L120 WeakPolarHBondContact O-CB 3.49Å; N116-L120 PolarHBondContact O-N 2.87Å
117	Y	54.4	Low	50.3	Low	82 Å²	82	90.2 Å²	90.2	32%	0.322	46%	0.463	S	S	.	.	H	α-helix	trans	-70.5	-38.5	174.3	173.4	-112	0	0	0	112.6	M1 A113 M114 L115 L120 K121	M1-Y117 HydrophobicContact CB-CE2 4.47Å; A113-Y117 WeakPolarHBondContact O-CB 3.46Å; A113-Y117 PolarHBondContact O-N 3.18Å; M114-Y117 CarbonylContact O-C 3.5Å; M114-Y117 WeakPolarHBondContact O-CA 3.43Å; M114-Y117 WeakPolarHBondContact O-CB 3.29Å; M114-Y117 PolarHBondContact O-N 2.69Å; L115-Y117 VanDerWaalsContact C-N 3.32Å; L115-Y117 PolarHBondContact O-N 2.83Å; Y117-L120 PolarHBondContact O-N 3.36Å; Y117-K121 HydrophobicContact CE1-CD 4.31Å; Y117-K121 HydrophobicContact CE2-CB 4.42Å; Y117-K121 WeakPolarHBondContact O-CB 3.46Å; Y117-K121 PolarHBondContact O-N 2.89Å
118	F	54	Low	49.9	Very low	42 Å²	42	94.1 Å²	94.1	18%	0.184	48%	0.479	C	S	.	.	H	α-helix	trans	-63	-45.4	172.3	-75.5	-68	0	0	0	111.1	M114 L115 L120 K121 Y122 L259	M114-F118 HydrophobicContact CB-CE2 4.42Å; M114-F118 HydrophobicContact CE-CE2 4.34Å; M114-F118 WeakPolarHBondContact O-CD2 3.33Å; M114-F118 PolarHBondContact O-N 3.46Å; L115-F118 PolarHBondContact O-N 3.48Å; F118-L120 VanDerWaalsContact C-N 3.32Å; F118-L120 PolarHBondContact O-N 3.38Å; F118-K121 PolarHBondContact O-N 3.4Å; F118-Y122 HydrophobicContact CD1-CD2 4.16Å; F118-Y122 AromaticContact CD1-CE2 3.96Å; F118-Y122 HydrophobicContact CD1-CE2 3.96Å; F118-Y122 HydrophobicContact CE1-CE2 4.48Å; F118-Y122 WeakPolarHBondContact O-CD2 3.37Å; F118-Y122 PolarHBondContact O-N 3.34Å; F118-L259 HydrophobicContact CE1-CD2 4.44Å; F118-L259 HydrophobicContact CE2-CD1 4.32Å; F118-L259 HydrophobicContact CE2-CD2 3.9Å; F118-L259 HydrophobicContact CZ-CD2 3.58Å
119	L	61.8	Low	48.8	Very low	59 Å²	59	99 Å²	99	31%	0.309	49%	0.493	S	S	.	.	H	α-helix	trans	-58.1	-36.9	172.7	-83.4	167.4	0	0	0	114.2	L115 A124 W217	L115-L119 HydrophobicContact CD2-CD1 4.02Å; L115-L119 HydrophobicContact CD2-CG 4.48Å; L115-L119 WeakPolarHBondContact O-CB 3.48Å; L115-L119 PolarHBondContact O-N 3.01Å; L119-A124 HydrophobicContact CD2-CB 4.38Å; L119-W217 HydrophobicContact CD1-CZ2 4.36Å; L119-W217 HydrophobicContact CD2-CZ2 3.63Å; L119-W217 VanDerWaalsContact CD2-NE1 3.27Å; L119-W217 HydrophobicContact CG-CZ2 4.22Å
120	L	63.1	Low	47.6	Very low	142 Å²	142	98.2 Å²	98.2	74%	0.743	51%	0.508	S	S	*	.	H	α-helix	trans	-81.7	-32.4	-179.7	-171.3	68.8	0	0	0	112.8	N116 Y117 F118	N116-L120 VanDerWaalsContact O-CB 3.29Å; N116-L120 WeakPolarHBondContact O-CB 3.49Å; N116-L120 PolarHBondContact O-N 2.87Å; Y117-L120 PolarHBondContact O-N 3.36Å; F118-L120 VanDerWaalsContact C-N 3.32Å; F118-L120 PolarHBondContact O-N 3.38Å
121	K	51.1	Low	46.3	Very low	108 Å²	108	96.9 Å²	96.9	47%	0.47	52%	0.519	S	S	.	.	H	α-helix	trans	-81.2	-45.7	-177.5	-174.5	-167.1	173.4	-154.9	0	111.9	Y117 F118	Y117-K121 HydrophobicContact CE1-CD 4.31Å; Y117-K121 HydrophobicContact CE2-CB 4.42Å; Y117-K121 WeakPolarHBondContact O-CB 3.46Å; Y117-K121 PolarHBondContact O-N 2.89Å; F118-K121 PolarHBondContact O-N 3.4Å
122	Y	47.8	Very low	45.2	Very low	63 Å²	63	98.3 Å²	98.3	25%	0.247	54%	0.541	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92	106.4	172.9	-63.3	-80.2	0	0	0	106.6	F118 A124 S224 C228	F118-Y122 HydrophobicContact CD1-CD2 4.16Å; F118-Y122 AromaticContact CD1-CE2 3.96Å; F118-Y122 HydrophobicContact CD1-CE2 3.96Å; F118-Y122 HydrophobicContact CE1-CE2 4.48Å; F118-Y122 WeakPolarHBondContact O-CD2 3.37Å; F118-Y122 PolarHBondContact O-N 3.34Å; Y122-A124 PolarHBondContact O-N 2.94Å; Y122-S224 VanDerWaalsContact CD1-CB 3.49Å; Y122-S224 VanDerWaalsContact CD1-OG 3.27Å; Y122-S224 WeakPolarHBondContact CD1-OG 3.35Å; Y122-C228 PolarHBondContact OH-SG 2.84Å
123	K	44.3	Very low	43.6	Very low	199 Å²	199	105.8 Å²	105.8	87%	0.865	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.6	76.5	-177.3	-71.6	-177.3	173.8	-177.3	0	111.7	S125	K123-S125 PolarHBondContact O-N 2.95Å
124	A	36.5	Very low	41.9	Very low	40 Å²	40	107.9 Å²	107.9	33%	0.331	58%	0.577	S	S	.	*			trans	-59.8	113.6	149.6	0	0	0	0	0	105.5	L119 Y122 N126	L119-A124 HydrophobicContact CD2-CB 4.38Å; Y122-A124 PolarHBondContact O-N 2.94Å; A124-N126 PolarHBondContact O-N 3.33Å
125	S	33.8	Very low	40.3	Very low	83 Å²	83	108.6 Å²	108.6	58%	0.58	59%	0.59	S	S	*	*			trans	-64.9	131.8	-167.2	-162.3	0	0	0	0	110.3	K123 D127	K123-S125 PolarHBondContact O-N 2.95Å; S125-D127 WeakPolarHBondContact CB-OD2 3.48Å; S125-D127 PolarHBondContact O-N 2.97Å; S125-D127 VanDerWaalsContact OG-CG 3.28Å; S125-D127 PolarHBondContact OG-OD2 3.42Å
126	N	34.5	Very low	38.6	Very low	138 Å²	138	113.5 Å²	113.5	74%	0.738	63%	0.625	S	S	*	*			trans	-81.4	45.5	-176.6	-96.9	-43.2	0	0	0	111.5	A124 F128	A124-N126 PolarHBondContact O-N 3.33Å; N126-F128 PolarHBondContact O-N 2.88Å
127	D	30.4	Very low	37.2	Very low	128 Å²	128	114 Å²	114	68%	0.684	63%	0.634	S	S	*	*			trans	-79	22.5	-176.8	-63.8	-42.7	0	0	0	113.3	S125 K129	S125-D127 WeakPolarHBondContact CB-OD2 3.48Å; S125-D127 PolarHBondContact O-N 2.97Å; S125-D127 VanDerWaalsContact OG-CG 3.28Å; S125-D127 PolarHBondContact OG-OD2 3.42Å; D127-K129 VanDerWaalsContact C-N 3.28Å
128	F	36.1	Very low	36	Very low	169 Å²	169	115.5 Å²	115.5	74%	0.741	66%	0.657	S	S	*	*			trans	-94	27.6	164	-75.7	-73.2	0	0	0	112.3	N126	N126-F128 PolarHBondContact O-N 2.88Å
129	K	26.7	Very low	34.7	Very low	193 Å²	193	122.3 Å²	122.3	84%	0.839	69%	0.694	S	S	*	*	S	Bend	trans	-105.2	26.1	-176.2	-132.8	-173.3	-176.3	-168.4	0	115.6	D127	D127-K129 VanDerWaalsContact C-N 3.28Å
130	S	26.1	Very low	33.2	Very low	115 Å²	115	123.9 Å²	123.9	80%	0.804	72%	0.716	S	S	*	*			trans	-158.6	124	164.5	52.5	0	0	0	0	110.7
131	G	26.4	Very low	31.4	Very low	74 Å²	74	126 Å²	126	76%	0.763	72%	0.722	S	S	*	*			trans	176.8	54.3	-173.9	0	0	0	0	0	113.4	F133	G131-F133 PolarHBondContact O-N 2.89Å
132	S	24.8	Very low	30.4	Very low	112 Å²	112	127.7 Å²	127.7	78%	0.783	74%	0.741	S	S	*	*			trans	-80.9	113.7	-170.5	51.2	0	0	0	0	114.2
133	F	26.8	Very low	29.4	Very low	200 Å²	200	130.8 Å²	130.8	88%	0.877	76%	0.761	S	S	*	*			trans	-133.6	110.5	154.2	-67.6	-85.6	0	0	0	105.6	G131	G131-F133 PolarHBondContact O-N 2.89Å
134	S	25.6	Very low	28.9	Very low	101 Å²	101	130.4 Å²	130.4	71%	0.706	76%	0.763	S	S	*	*				71	92.6	51.4	-152.8	0	0	0	0	113.3
135	S	25.4	Very low	28.5	Very low	98 Å²	98	132.1 Å²	132.1	69%	0.685	78%	0.784	S	S	*	*			trans	49.1	110.6	137.5	62.4	0	0	0	0	120
136	C	23.9	Very low	28	Very low	132 Å²	132	137.8 Å²	137.8	89%	0.892	80%	0.798	S	S	*	*				-156.4	101.1	127.1	-126.8	0	0	0	0	110.6
137	P	28.8	Very low	27.8	Very low	116 Å²	116	138.4 Å²	138.4	75%	0.753	80%	0.802	S	S	*	*			trans	-77.2	152.5	170.4	33	-33.2	0	0	0	110.8
138	S	28.6	Very low	27.7	Very low	114 Å²	114	140.6 Å²	140.6	80%	0.797	81%	0.805	S	S	*	*			trans	-67.8	143.4	176.5	53.1	0	0	0	0	112.4	A140	S138-A140 PolarHBondContact O-N 3.43Å; S138-A140 VanDerWaalsContact O-N 3.12Å
139	L	26.3	Very low	27.2	Very low	185 Å²	185	139.1 Å²	139.1	97%	0.969	81%	0.81	S	S	*	*			trans	-55.6	110.2	174.4	-80.1	156.6	0	0	0	112.5
140	A	30.4	Very low	27.5	Very low	92 Å²	92	135.7 Å²	135.7	76%	0.76	81%	0.811	S	S	*	*			trans	-154.3	119.8	154.6	0	0	0	0	0	108.5	S138	S138-A140 PolarHBondContact O-N 3.43Å; S138-A140 VanDerWaalsContact O-N 3.12Å
141	E	24.8	Very low	27.4	Very low	187 Å²	187	134.5 Å²	134.5	87%	0.874	82%	0.816	S	S	*	*			trans	-72.6	142.8	170.6	-65.5	171.4	93.5	0	0	110.7
142	V	31.3	Very low	27.6	Very low	143 Å²	143	136.1 Å²	136.1	87%	0.867	82%	0.816	S	S	*	*				-173.4	149.4	125.5	145.2	0	0	0	0	108.3
143	N	26.7	Very low	27.6	Very low	127 Å²	127	136.3 Å²	136.3	68%	0.679	82%	0.818	S	S	*	*			trans	-88	166.1	-162.8	-69.7	-68.9	0	0	0	115.8
144	H	32.3	Very low	27.7	Very low	192 Å²	192	135.3 Å²	135.3	89%	0.889	82%	0.82	S	S	*	*			trans	81.5	144.7	158.2	-55.6	-68.4	0	0	0	120
145	G	28.5	Very low	27.8	Very low	76 Å²	76	134.2 Å²	134.2	78%	0.784	81%	0.813	S	S	*	*			trans	117.2	76.1	155	0	0	0	0	0	116.4
146	F	24.2	Very low	27.9	Very low	201 Å²	201	137.5 Å²	137.5	88%	0.882	82%	0.822	S	S	*	*			trans	-70.8	135.7	152.1	-87.8	-99.2	0	0	0	108.6
147	D	29.6	Very low	28	Very low	151 Å²	151	135.5 Å²	135.5	81%	0.807	80%	0.803	S	S	*	*				-158	171.8	112.3	-133	-35.3	0	0	0	113.5
148	K	28.3	Very low	28	Very low	174 Å²	174	136.7 Å²	136.7	76%	0.757	80%	0.802	S	S	*	*			trans	-106.7	112.5	-164.3	-56.1	158.1	-176.6	163.6	0	113.2
149	T	26.4	Very low	28.1	Very low	139 Å²	139	134.8 Å²	134.8	85%	0.853	79%	0.789	S	S	*	*			trans	-163.9	110.8	147.8	41.6	0	0	0	0	112.5
150	S	31.5	Very low	28.3	Very low	121 Å²	121	131.1 Å²	131.1	85%	0.846	77%	0.77	S	S	*	*			trans	174.3	131.9	142.2	36.7	0	0	0	0	110.5
151	G	24.3	Very low	28.3	Very low	89 Å²	89	133.3 Å²	133.3	92%	0.918	77%	0.769	S	S	*	*			trans	-88.5	120	172.2	0	0	0	0	0	110.5
152	S	30.4	Very low	28.4	Very low	109 Å²	109	133 Å²	133	76%	0.762	77%	0.765	S	S	*	*			trans	-109.6	131	177.7	58.2	0	0	0	0	111.8
153	S	26.4	Very low	28.2	Very low	116 Å²	116	131 Å²	131	81%	0.811	76%	0.756	S	S	*	*			trans	-78.1	118.5	176.7	55.5	0	0	0	0	111	S155	S153-S155 PolarHBondContact O-N 3.07Å
154	L	27.6	Very low	28.1	Very low	178 Å²	178	130 Å²	130	93%	0.932	76%	0.758	S	S	*	*			trans	-77.3	114.7	171.9	-82.5	164.2	0	0	0	111
155	S	29.2	Very low	27.9	Very low	79 Å²	79	127.1 Å²	127.1	55%	0.552	76%	0.755	S	S	*	*			trans	-98.3	138.2	174.9	55	0	0	0	0	111.9	S153 N157	S153-S155 PolarHBondContact O-N 3.07Å; S155-N157 PolarHBondContact O-N 2.98Å; S155-N157 PolarHBondContact O-ND2 2.94Å; S155-N157 PolarHBondContact OG-ND2 3.28Å; S155-N157 VanDerWaalsContact OG-ND2 3.16Å
156	N	25.9	Very low	27.8	Very low	166 Å²	166	132.2 Å²	132.2	89%	0.888	76%	0.758	S	S	*	*			trans	-75.7	82.3	-179.1	-71.2	-40.4	0	0	0	111.5	L158	N156-L158 VanDerWaalsContact C-N 3.35Å; N156-L158 PolarHBondContact O-N 3.1Å
157	N	26.5	Very low	28	Very low	91 Å²	91	127.7 Å²	127.7	49%	0.487	75%	0.747	S	S	.	*			trans	-76.8	73.3	-178.1	-73.8	-69	0	0	0	113.5	S155 N160	S155-N157 PolarHBondContact O-N 2.98Å; S155-N157 PolarHBondContact O-ND2 2.94Å; S155-N157 PolarHBondContact OG-ND2 3.28Å; S155-N157 VanDerWaalsContact OG-ND2 3.16Å; N157-N160 PolarHBondContact OD1-ND2 2.99Å
158	L	29.1	Very low	27.8	Very low	140 Å²	140	127.3 Å²	127.3	73%	0.733	75%	0.745	S	S	*	*			trans	-89.7	-11.5	159.1	-80.2	169.7	0	0	0	112.8	N156 N160	N156-L158 VanDerWaalsContact C-N 3.35Å; N156-L158 PolarHBondContact O-N 3.1Å; L158-N160 VanDerWaalsContact C-N 3.27Å; L158-N160 PolarHBondContact O-N 3.04Å
159	S	30.5	Very low	27.7	Very low	74 Å²	74	128.1 Å²	128.1	52%	0.517	75%	0.75	S	S	.	*	G	3₁₀ helix	trans	-65.6	-23.7	177.7	44.1	0	0	0	0	114.5	L161	S159-L161 VanDerWaalsContact C-N 3.33Å; S159-L161 PolarHBondContact O-N 3.46Å
160	N	30.5	Very low	27.7	Very low	109 Å²	109	127.1 Å²	127.1	58%	0.583	75%	0.749	S	S	*	*	G	3₁₀ helix	trans	-86.7	-2.7	-165.4	-59.4	1.3	0	0	0	113.5	N157 L158	N157-N160 PolarHBondContact OD1-ND2 2.99Å; L158-N160 VanDerWaalsContact C-N 3.27Å; L158-N160 PolarHBondContact O-N 3.04Å
161	L	29.8	Very low	27.6	Very low	138 Å²	138	127.1 Å²	127.1	72%	0.723	74%	0.744	S	S	*	*	G	3₁₀ helix	trans	-89.4	-6	178.5	-82.8	161.6	0	0	0	114.4	S159	S159-L161 VanDerWaalsContact C-N 3.33Å; S159-L161 PolarHBondContact O-N 3.46Å
162	F	28.3	Very low	27.7	Very low	181 Å²	181	130.6 Å²	130.6	79%	0.794	74%	0.742	S	S	*	*	S	Bend	trans	-126.9	16.2	-173.6	-67.3	-75.1	0	0	0	114.5
163	C	25.7	Very low	27.5	Very low	101 Å²	101	131.4 Å²	131.4	68%	0.682	75%	0.745	S	S	*	*			trans	-103	102.4	173.5	-71.6	0	0	0	0	111	T165	C163-T165 PolarHBondContact O-N 2.97Å
164	S	25.3	Very low	27.5	Very low	104 Å²	104	129.1 Å²	129.1	73%	0.727	74%	0.739	S	S	*	*			trans	-58.8	118.7	172.8	-56.7	0	0	0	0	111.3	H166	S164-H166 PolarHBondContact O-N 3.45Å
165	T	27.9	Very low	27.5	Very low	132 Å²	132	127.1 Å²	127.1	81%	0.81	74%	0.735	S	S	*	*			trans	-75	81.7	178.4	48.2	0	0	0	0	111.6	C163 V167	C163-T165 PolarHBondContact O-N 2.97Å; T165-V167 VanDerWaalsContact C-N 3.29Å; T165-V167 PolarHBondContact O-N 3.22Å
166	H	26.9	Very low	27.2	Very low	183 Å²	183	129 Å²	129	85%	0.847	74%	0.743	S	S	*	*			trans	-74.1	82.4	165.3	-81.5	-75.3	0	0	0	110.5	S164	S164-H166 PolarHBondContact O-N 3.45Å
167	V	28.6	Very low	27.1	Very low	107 Å²	107	127.6 Å²	127.6	65%	0.648	74%	0.74	S	S	*	*			trans	-132.7	113.1	173.4	-177.8	0	0	0	0	110.1	T165	T165-V167 VanDerWaalsContact C-N 3.29Å; T165-V167 PolarHBondContact O-N 3.22Å
168	N	25	Very low	27.2	Very low	143 Å²	143	128.4 Å²	128.4	77%	0.765	75%	0.753	S	S	*	*			trans	55.5	98.2	156.7	-57	-11.5	0	0	0	119.7
169	H	27	Very low	27.1	Very low	190 Å²	190	127.9 Å²	127.9	88%	0.88	75%	0.751	S	S	*	*			trans	-128.8	102.7	139	-83.9	-67.1	0	0	0	110.6
170	S	26.4	Very low	27.3	Very low	119 Å²	119	134.7 Å²	134.7	83%	0.832	77%	0.771	S	S	*	*			trans	-147.8	84.6	163.8	-168.8	0	0	0	0	108.2
171	T	28.7	Very low	27.1	Very low	121 Å²	121	137.2 Å²	137.2	74%	0.742	78%	0.78	S	S	*	*			trans	-98.7	106.5	-178.5	45.8	0	0	0	0	110.2
172	N	26.4	Very low	27	Very low	161 Å²	161	136.1 Å²	136.1	86%	0.861	78%	0.783	S	S	*	*			trans	-86.1	127.5	160.3	-94.8	-25.5	0	0	0	109.1
173	P	26.4	Very low	27.1	Very low	127 Å²	127	133.1 Å²	133.1	83%	0.825	78%	0.782	S	S	*	*			trans	-83.4	137.9	178.5	32.6	-33.3	0	0	0	111.5
174	G	25.9	Very low	27.4	Very low	68 Å²	68	133.6 Å²	133.6	70%	0.701	79%	0.786	S	S	*	*			trans	-175.8	114.4	176.6	0	0	0	0	0	116.7
175	T	26.7	Very low	27.4	Very low	135 Å²	135	136.8 Å²	136.8	83%	0.828	80%	0.795	S	S	*	*			trans	55.9	92.9	148.4	39.4	0	0	0	0	121.7
176	V	23.4	Very low	27.5	Very low	119 Å²	119	134.3 Å²	134.3	72%	0.721	80%	0.796	S	S	*	*				69.3	120.1	102.5	170	0	0	0	0	120.3
177	T	25	Very low	27.4	Very low	137 Å²	137	130.9 Å²	130.9	84%	0.84	79%	0.793	S	S	*	*			trans	71	155.1	158.3	61.8	0	0	0	0	118.6
178	S	28.7	Very low	27.6	Very low	108 Å²	108	136.2 Å²	136.2	76%	0.755	80%	0.802	S	S	*	*			cis	-142.9	157.8	10.8	73	0	0	0	0	115.6
179	N	25.7	Very low	27.7	Very low	128 Å²	128	136.7 Å²	136.7	68%	0.684	81%	0.805	S	S	*	*			trans	-13.7	140.9	166	-58.6	-17	0	0	0	120.8
180	K	34	Very low	27.9	Very low	217 Å²	217	134.3 Å²	134.3	94%	0.943	80%	0.799	S	S	*	*				-138.6	146.7	108.9	-107	172.2	-176	177.5	0	110.2
181	Q	27.3	Very low	28.1	Very low	163 Å²	163	135.7 Å²	135.7	76%	0.762	79%	0.792	S	S	*	*			trans	-107.6	178.8	-163.5	-67.8	171.3	-80.9	0	0	113.4
182	S	27.1	Very low	28.3	Very low	114 Å²	114	139.8 Å²	139.8	80%	0.797	80%	0.8	S	S	*	*			trans	110.9	144.1	147.6	86.4	0	0	0	0	114.7
183	P	31.4	Very low	28.7	Very low	118 Å²	118	140.1 Å²	140.1	77%	0.766	79%	0.79	S	S	*	*				-143.1	175.5	-109.2	38.9	-18.8	0	0	0	115.7
184	S	30.9	Very low	29.1	Very low	111 Å²	111	143.2 Å²	143.2	78%	0.776	79%	0.787	S	S	*	*				158.4	120.5	123.5	65.9	0	0	0	0	113.9
185	N	25.9	Very low	29.5	Very low	172 Å²	172	146.7 Å²	146.7	92%	0.92	80%	0.795	S	S	*	*			trans	5.4	120.4	154.6	-54	-6.2	0	0	0	119.5
186	G	29.5	Very low	30.1	Very low	79 Å²	79	143.4 Å²	143.4	81%	0.814	77%	0.772	S	S	*	*			trans	-159	93.9	161.8	0	0	0	0	0	110.6
187	S	25.2	Very low	31.2	Very low	112 Å²	112	141.7 Å²	141.7	78%	0.783	77%	0.766	S	S	*	*			trans	-95.1	102.3	-177.3	171.7	0	0	0	0	111
188	Y	32.6	Very low	32.6	Very low	218 Å²	218	142.2 Å²	142.2	86%	0.855	76%	0.756	S	S	*	*			trans	-133.7	128.3	160.9	-91.6	-87.9	0	0	0	110.2
189	N	26.8	Very low	33.2	Very low	153 Å²	153	142.8 Å²	142.8	82%	0.818	75%	0.747	S	S	*	*			trans	-73.7	135.8	156.4	-59.3	-39.2	0	0	0	106.6
190	D	31.7	Very low	34.2	Very low	140 Å²	140	140.9 Å²	140.9	75%	0.749	74%	0.736	S	S	*	*			trans	-138.3	118.4	163	-117.2	-34.1	0	0	0	109.1	F192	D190-F192 PolarHBondContact O-N 2.91Å
191	E	30.8	Very low	35.2	Very low	149 Å²	149	135.4 Å²	135.4	70%	0.696	72%	0.717	S	S	*	*			trans	-81.3	113.9	177	-61.6	178	128.4	0	0	108.1	Y193	E191-Y193 HydrophobicContact CB-CD2 3.77Å; E191-Y193 HydrophobicContact CB-CE2 4.17Å; E191-Y193 PolarHBondContact O-N 3.39Å
192	F	32.8	Very low	36.8	Very low	206 Å²	206	134.6 Å²	134.6	90%	0.904	71%	0.711	S	S	*	*			trans	-73.5	66.8	174.3	-89.4	-88.1	0	0	0	111.7	D190 Y194	D190-F192 PolarHBondContact O-N 2.91Å; F192-Y194 PolarHBondContact O-N 2.67Å
193	Y	35.7	Very low	37.7	Very low	168 Å²	168	134.1 Å²	134.1	66%	0.659	70%	0.699	S	S	*	*			trans	-65.4	125.2	168.1	-96.5	-82.3	0	0	0	110.3	E191 T195	E191-Y193 HydrophobicContact CB-CD2 3.77Å; E191-Y193 HydrophobicContact CB-CE2 4.17Å; E191-Y193 PolarHBondContact O-N 3.39Å; Y193-T195 PolarHBondContact O-N 3.28Å; Y193-T195 PolarHBondContact O-OG1 3.42Å
194	Y	34	Very low	38.5	Very low	192 Å²	192	136.2 Å²	136.2	75%	0.753	69%	0.693	S	S	*	*			trans	-57.4	104.5	177.2	-78.1	-92.3	0	0	0	111.7	F192	F192-Y194 PolarHBondContact O-N 2.67Å
195	T	33.8	Very low	40.1	Very low	142 Å²	142	138.2 Å²	138.2	87%	0.871	69%	0.687	S	S	*	*			trans	-107.7	33.8	-167.8	24.3	0	0	0	0	114.1	Y193	Y193-T195 PolarHBondContact O-N 3.28Å; Y193-T195 PolarHBondContact O-OG1 3.42Å
196	N	39.1	Very low	41.6	Very low	65 Å²	65	135.8 Å²	135.8	35%	0.348	67%	0.67	S	S	.	*			trans	-147.5	95.6	165.7	-159	-3	0	0	0	113.4	K198 E199	N196-K198 PolarHBondContact O-N 3.14Å; N196-K198 VanDerWaalsContact O-N 3.17Å; N196-K198 PolarHBondContact OD1-N 2.91Å; N196-E199 HydrophobicContact CB-CB 4.38Å; N196-E199 HydrophobicContact CB-CG 4.25Å; N196-E199 PolarHBondContact ND2-OE1 3.34Å; N196-E199 PolarHBondContact O-N 2.9Å
197	S	46.9	Very low	42.7	Very low	84 Å²	84	136.7 Å²	136.7	59%	0.587	66%	0.656	S	S	*	*	H	α-helix	trans	-58.4	-30.6	178.6	59	0	0	0	0	113.2	E199 I200 D201	S197-E199 PolarHBondContact O-N 3.36Å; S197-I200 PolarHBondContact O-N 2.91Å; S197-D201 PolarHBondContact O-N 3.16Å
198	K	53.9	Low	44.3	Very low	148 Å²	148	133.3 Å²	133.3	64%	0.643	63%	0.632	S	S	*	*	H	α-helix	trans	-67.2	-16.7	177.7	-65.1	175.8	178.6	172.9	0	113.7	N196 K202	N196-K198 PolarHBondContact O-N 3.14Å; N196-K198 VanDerWaalsContact O-N 3.17Å; N196-K198 PolarHBondContact OD1-N 2.91Å; K198-K202 WeakPolarHBondContact O-CD 3.28Å; K198-K202 VanDerWaalsContact O-CG 3.23Å; K198-K202 WeakPolarHBondContact O-CG 3.46Å
199	E	42.4	Very low	45.9	Very low	119 Å²	119	127.1 Å²	127.1	56%	0.556	62%	0.617	S	S	*	*	H	α-helix	trans	-89.3	-37.2	173.3	-73.7	169.1	-152.2	0	0	111.1	N196 S197 K202 L203	N196-E199 HydrophobicContact CB-CB 4.38Å; N196-E199 HydrophobicContact CB-CG 4.25Å; N196-E199 PolarHBondContact ND2-OE1 3.34Å; N196-E199 PolarHBondContact O-N 2.9Å; S197-E199 PolarHBondContact O-N 3.36Å; E199-K202 PolarHBondContact O-N 2.86Å; E199-L203 WeakPolarHBondContact O-CB 3.39Å; E199-L203 PolarHBondContact O-N 3.21Å
200	I	46.1	Very low	47.8	Very low	88 Å²	88	125 Å²	125	45%	0.451	60%	0.6	S	S	.	*	H	α-helix	trans	-61.5	-45.5	171.7	-58.9	173.7	0	0	0	110.3	S197 K202 L203 Y204	S197-I200 PolarHBondContact O-N 2.91Å; I200-K202 VanDerWaalsContact C-N 3.33Å; I200-K202 PolarHBondContact O-N 2.88Å; I200-L203 PolarHBondContact O-N 3.11Å; I200-Y204 WeakPolarHBondContact O-CB 3.35Å; I200-Y204 PolarHBondContact O-N 2.9Å
201	D	56	Low	49.3	Very low	102 Å²	102	122.9 Å²	122.9	55%	0.545	58%	0.582	S	S	.	*	H	α-helix	trans	-59.7	-39.7	175.3	-81.5	-25	0	0	0	113	S197 K205	S197-D201 PolarHBondContact O-N 3.16Å; D201-K205 WeakPolarHBondContact O-CB 3.39Å; D201-K205 WeakPolarHBondContact O-CG 3.33Å; D201-K205 PolarHBondContact O-N 3.46Å
202	K	59.5	Low	51.1	Low	147 Å²	147	121.7 Å²	121.7	64%	0.639	58%	0.577	S	S	*	*	H	α-helix	trans	-67.2	-44.8	176.4	-77.6	171.2	-176.9	177.4	0	111.2	K198 E199 I200 H206	K198-K202 WeakPolarHBondContact O-CD 3.28Å; K198-K202 VanDerWaalsContact O-CG 3.23Å; K198-K202 WeakPolarHBondContact O-CG 3.46Å; E199-K202 PolarHBondContact O-N 2.86Å; I200-K202 VanDerWaalsContact C-N 3.33Å; I200-K202 PolarHBondContact O-N 2.88Å; K202-H206 VanDerWaalsContact O-CB 3.31Å; K202-H206 WeakPolarHBondContact O-CB 3.42Å; K202-H206 PolarHBondContact O-N 3.12Å
203	L	46.5	Very low	52.8	Low	104 Å²	104	114.1 Å²	114.1	55%	0.545	55%	0.552	S	S	.	*	H	α-helix	trans	-63	-45.6	178.1	-178.4	60.7	0	0	0	110.7	E199 I200 H206 I207	E199-L203 WeakPolarHBondContact O-CB 3.39Å; E199-L203 PolarHBondContact O-N 3.21Å; I200-L203 PolarHBondContact O-N 3.11Å; L203-H206 PolarHBondContact O-N 3.5Å; L203-I207 HydrophobicContact CD1-CD1 4.03Å; L203-I207 HydrophobicContact CD1-CG1 4.42Å; L203-I207 HydrophobicContact CG-CD1 3.91Å; L203-I207 VanDerWaalsContact O-CG1 3.29Å; L203-I207 WeakPolarHBondContact O-CG1 3.29Å; L203-I207 PolarHBondContact O-N 3.38Å
204	Y	48.4	Very low	54.4	Low	162 Å²	162	107.4 Å²	107.4	64%	0.635	53%	0.526	S	S	*	.	H	α-helix	trans	-59.7	-51.3	176.9	-169.9	-92.4	0	0	0	111.4	I200 H206 I207 S208	I200-Y204 WeakPolarHBondContact O-CB 3.35Å; I200-Y204 PolarHBondContact O-N 2.9Å; Y204-H206 VanDerWaalsContact C-N 3.32Å; Y204-H206 PolarHBondContact O-N 2.94Å; Y204-I207 PolarHBondContact O-N 2.9Å; Y204-I207 VanDerWaalsContact O-N 3.15Å; Y204-S208 PolarHBondContact O-N 2.93Å; Y204-S208 PolarHBondContact O-OG 2.96Å
205	K	64.2	Low	56.2	Low	152 Å²	152	101.3 Å²	101.3	66%	0.661	51%	0.506	S	S	*	.	H	α-helix	trans	-56.4	-44	174.5	-78.4	-175.1	174.8	-175.7	0	112.5	D201 I207 S208 T209	D201-K205 WeakPolarHBondContact O-CB 3.39Å; D201-K205 WeakPolarHBondContact O-CG 3.33Å; D201-K205 PolarHBondContact O-N 3.46Å; K205-I207 VanDerWaalsContact C-N 3.32Å; K205-I207 PolarHBondContact O-N 2.96Å; K205-S208 PolarHBondContact O-N 3.29Å; K205-T209 PolarHBondContact O-N 3.41Å; K205-T209 PolarHBondContact O-OG1 3.31Å; K205-T209 VanDerWaalsContact O-OG1 3.05Å
206	H	57.3	Low	58.1	Low	122 Å²	122	99.7 Å²	99.7	57%	0.565	49%	0.492	S	S	*	.	H	α-helix	trans	-64.4	-35.1	179.2	-172.8	71.3	0	0	0	112.9	K202 L203 Y204 K210	K202-H206 VanDerWaalsContact O-CB 3.31Å; K202-H206 WeakPolarHBondContact O-CB 3.42Å; K202-H206 PolarHBondContact O-N 3.12Å; L203-H206 PolarHBondContact O-N 3.5Å; Y204-H206 VanDerWaalsContact C-N 3.32Å; Y204-H206 PolarHBondContact O-N 2.94Å; H206-K210 WeakPolarHBondContact O-CG 3.19Å; H206-K210 PolarHBondContact O-N 3.18Å
207	I	53.4	Low	59.7	Low	98 Å²	98	99.3 Å²	99.3	50%	0.503	49%	0.486	S	S	.	.	H	α-helix	trans	-70.1	-47.2	173.7	-68.9	165.7	0	0	0	110.4	L203 Y204 K205 T209 K210 Y211	L203-I207 HydrophobicContact CD1-CD1 4.03Å; L203-I207 HydrophobicContact CD1-CG1 4.42Å; L203-I207 HydrophobicContact CG-CD1 3.91Å; L203-I207 VanDerWaalsContact O-CG1 3.29Å; L203-I207 WeakPolarHBondContact O-CG1 3.29Å; L203-I207 PolarHBondContact O-N 3.38Å; Y204-I207 PolarHBondContact O-N 2.9Å; Y204-I207 VanDerWaalsContact O-N 3.15Å; K205-I207 VanDerWaalsContact C-N 3.32Å; K205-I207 PolarHBondContact O-N 2.96Å; I207-T209 PolarHBondContact O-N 3.46Å; I207-K210 PolarHBondContact O-N 2.86Å; I207-Y211 PolarHBondContact O-N 2.94Å
208	S	59.5	Low	61.2	Low	41 Å²	41	98.4 Å²	98.4	29%	0.287	47%	0.47	S	S	.	.	H	α-helix	trans	-57.4	-49	176.7	-61.3	0	0	0	0	112.2	Y204 K205 K210 Y211 E212	Y204-S208 PolarHBondContact O-N 2.93Å; Y204-S208 PolarHBondContact O-OG 2.96Å; K205-S208 PolarHBondContact O-N 3.29Å; S208-K210 VanDerWaalsContact C-N 3.29Å; S208-K210 PolarHBondContact O-N 3.49Å; S208-Y211 PolarHBondContact O-N 2.7Å; S208-E212 PolarHBondContact O-N 3.42Å
209	T	66.1	Low	62.5	Low	87 Å²	87	95.3 Å²	95.3	53%	0.534	46%	0.457	S	S	.	.	H	α-helix	trans	-61.2	-36.3	178.2	-55.6	0	0	0	0	112.3	K205 I207 A213	K205-T209 PolarHBondContact O-N 3.41Å; K205-T209 PolarHBondContact O-OG1 3.31Å; K205-T209 VanDerWaalsContact O-OG1 3.05Å; I207-T209 PolarHBondContact O-N 3.46Å; T209-A213 WeakPolarHBondContact O-CB 3.32Å; T209-A213 PolarHBondContact O-N 3.46Å; T209-A213 VanDerWaalsContact O-N 3.08Å
210	K	66.1	Low	64.3	Low	109 Å²	109	94 Å²	94	47%	0.474	45%	0.454	S	S	.	.	H	α-helix	trans	-69.4	-33.1	173.3	-79.1	179.3	170.8	170.6	0	112.8	H206 I207 S208 Y214	H206-K210 WeakPolarHBondContact O-CG 3.19Å; H206-K210 PolarHBondContact O-N 3.18Å; I207-K210 PolarHBondContact O-N 2.86Å; S208-K210 VanDerWaalsContact C-N 3.29Å; S208-K210 PolarHBondContact O-N 3.49Å; K210-Y214 WeakPolarHBondContact O-CB 3.41Å; K210-Y214 PolarHBondContact O-N 3.35Å
211	Y	62.5	Low	65.7	Low	96 Å²	96	90.9 Å²	90.9	38%	0.376	44%	0.439	S	S	.	.	H	α-helix	trans	-73.4	-40.7	177.8	-167.9	-101.9	0	0	0	112	I207 S208 Y214 L215 L274	I207-Y211 PolarHBondContact O-N 2.94Å; S208-Y211 PolarHBondContact O-N 2.7Å; Y211-Y214 WeakPolarHBondContact O-CB 3.39Å; Y211-Y214 PolarHBondContact O-N 2.86Å; Y211-L215 HydrophobicContact CD1-CD1 3.98Å; Y211-L215 HydrophobicContact CD1-CG 4.31Å; Y211-L215 HydrophobicContact CE1-CD1 3.73Å; Y211-L215 HydrophobicContact CE1-CD2 4.38Å; Y211-L215 HydrophobicContact CE1-CG 4.09Å; Y211-L215 WeakPolarHBondContact O-CG 3.16Å; Y211-L215 PolarHBondContact O-N 2.94Å; Y211-L274 HydrophobicContact CE2-CD1 4.42Å
212	E	68.3	Low	66.8	Low	124 Å²	124	87.1 Å²	87.1	58%	0.579	42%	0.419	S	S	*	.	H	α-helix	trans	-62.4	-47.8	172.2	-71	-179.6	156.7	0	0	111.3	S208 Y214 L215 D216	S208-E212 PolarHBondContact O-N 3.42Å; E212-Y214 PolarHBondContact O-N 3.26Å; E212-L215 PolarHBondContact O-N 2.83Å; E212-D216 PolarHBondContact O-N 3.33Å
213	A	70.1	Confident	67.9	Low	47 Å²	47	84 Å²	84	39%	0.388	41%	0.409	S	S	.	.	H	α-helix	trans	-58.7	-32.4	174.6	0	0	0	0	0	113.1	T209 W217	T209-A213 WeakPolarHBondContact O-CB 3.32Å; T209-A213 PolarHBondContact O-N 3.46Å; T209-A213 VanDerWaalsContact O-N 3.08Å; A213-W217 VanDerWaalsContact O-CB 3.24Å; A213-W217 WeakPolarHBondContact O-CB 3.28Å; A213-W217 PolarHBondContact O-N 3.46Å
214	Y	68.7	Low	69.4	Low	27 Å²	27	80 Å²	80	11%	0.106	39%	0.39	C	S	.	.	H	α-helix	trans	-70.1	-40.7	172.2	167.9	-98.1	0	0	0	112.7	K210 Y211 E212 W217 R218 F267 I270 Q271	K210-Y214 WeakPolarHBondContact O-CB 3.41Å; K210-Y214 PolarHBondContact O-N 3.35Å; Y211-Y214 WeakPolarHBondContact O-CB 3.39Å; Y211-Y214 PolarHBondContact O-N 2.86Å; E212-Y214 PolarHBondContact O-N 3.26Å; Y214-W217 AromaticContact CD2-CE3 3.88Å; Y214-W217 HydrophobicContact CD2-CE3 3.88Å; Y214-W217 HydrophobicContact CD2-CZ3 4.12Å; Y214-W217 HydrophobicContact CE2-CE3 4.13Å; Y214-W217 HydrophobicContact CE2-CZ3 4.02Å; Y214-W217 PolarHBondContact O-N 3.48Å; Y214-R218 VanDerWaalsContact O-CB 3.29Å; Y214-R218 WeakPolarHBondContact O-CB 3.26Å; Y214-R218 PolarHBondContact O-N 3.39Å; Y214-F267 HydrophobicContact CE2-CD1 4.06Å; Y214-F267 HydrophobicContact CE2-CE1 4.44Å; Y214-F267 WeakPolarHBondContact OH-CD1 3.45Å; Y214-F267 PolarHBondContact OH-O 3.07Å; Y214-I270 HydrophobicContact CD2-CG2 4.43Å; Y214-I270 HydrophobicContact CE2-CB 4.29Å; Y214-I270 HydrophobicContact CE2-CD1 4.36Å; Y214-I270 HydrophobicContact CE2-CG2 3.57Å; Y214-I270 WeakPolarHBondContact OH-CB 3.34Å; Y214-I270 WeakPolarHBondContact OH-CG2 3.39Å; Y214-Q271 HydrophobicContact CE1-CG 3.76Å
215	L	72.1	Confident	70.9	Confident	63 Å²	63	72.7 Å²	72.7	33%	0.33	36%	0.362	S	S	.	.	H	α-helix	trans	-66.1	-44.1	176.1	-70.3	177.4	0	0	0	112	Y211 E212 R218 Q219	Y211-L215 HydrophobicContact CD1-CD1 3.98Å; Y211-L215 HydrophobicContact CD1-CG 4.31Å; Y211-L215 HydrophobicContact CE1-CD1 3.73Å; Y211-L215 HydrophobicContact CE1-CD2 4.38Å; Y211-L215 HydrophobicContact CE1-CG 4.09Å; Y211-L215 WeakPolarHBondContact O-CG 3.16Å; Y211-L215 PolarHBondContact O-N 2.94Å; E212-L215 PolarHBondContact O-N 2.83Å; L215-R218 WeakPolarHBondContact O-CB 3.21Å; L215-R218 PolarHBondContact O-N 2.9Å; L215-Q219 WeakPolarHBondContact O-CB 3.27Å; L215-Q219 PolarHBondContact O-N 3.39Å
216	D	73.3	Confident	71.7	Confident	108 Å²	108	66.8 Å²	66.8	58%	0.578	34%	0.344	S	S	*	.	H	α-helix	trans	-62.1	-44	174.3	-80.9	-16.2	0	0	0	111.2	E212 Q219 N220	E212-D216 PolarHBondContact O-N 3.33Å; D216-Q219 PolarHBondContact O-N 2.87Å; D216-N220 VanDerWaalsContact O-CB 3.32Å; D216-N220 WeakPolarHBondContact O-CB 3.47Å; D216-N220 PolarHBondContact O-N 2.86Å; D216-N220 PolarHBondContact O-ND2 2.96Å
217	W	73.2	Confident	72.8	Confident	58 Å²	58	64.7 Å²	64.7	22%	0.22	34%	0.34	C	S	.	.	H	α-helix	trans	-60.9	-47	175.1	173.1	54.6	0	0	0	111.8	L119 A213 Y214 Q219 N220 V221 F267	L119-W217 HydrophobicContact CD1-CZ2 4.36Å; L119-W217 HydrophobicContact CD2-CZ2 3.63Å; L119-W217 VanDerWaalsContact CD2-NE1 3.27Å; L119-W217 HydrophobicContact CG-CZ2 4.22Å; A213-W217 VanDerWaalsContact O-CB 3.24Å; A213-W217 WeakPolarHBondContact O-CB 3.28Å; A213-W217 PolarHBondContact O-N 3.46Å; Y214-W217 AromaticContact CD2-CE3 3.88Å; Y214-W217 HydrophobicContact CD2-CE3 3.88Å; Y214-W217 HydrophobicContact CD2-CZ3 4.12Å; Y214-W217 HydrophobicContact CE2-CE3 4.13Å; Y214-W217 HydrophobicContact CE2-CZ3 4.02Å; Y214-W217 PolarHBondContact O-N 3.48Å; W217-Q219 VanDerWaalsContact C-N 3.34Å; W217-Q219 PolarHBondContact O-N 3.2Å; W217-N220 PolarHBondContact O-N 3.25Å; W217-V221 HydrophobicContact CZ2-CG2 4.35Å; W217-V221 WeakPolarHBondContact O-CG2 3.44Å; W217-V221 PolarHBondContact O-N 2.97Å; W217-F267 HydrophobicContact CD2-CE1 4.39Å; W217-F267 AromaticContact CE3-CE1 3.9Å; W217-F267 HydrophobicContact CE3-CE1 3.9Å; W217-F267 AromaticContact CH2-CE1 3.73Å; W217-F267 HydrophobicContact CH2-CE1 3.73Å; W217-F267 HydrophobicContact CH2-CZ 4.32Å; W217-F267 HydrophobicContact CZ2-CE1 4.2Å; W217-F267 HydrophobicContact CZ2-CZ 4.36Å; W217-F267 HydrophobicContact CZ3-CD1 4.41Å; W217-F267 AromaticContact CZ3-CE1 3.59Å; W217-F267 HydrophobicContact CZ3-CE1 3.59Å; W217-F267 HydrophobicContact CZ3-CZ 4.48Å
218	R	78.7	Confident	73.9	Confident	65 Å²	65	62.1 Å²	62.1	25%	0.245	33%	0.33	C	S	.	.	H	α-helix	trans	-54.3	-48.9	174.5	169.3	179.7	-178.1	-73.4	-0.8	111.5	Y214 L215 V221 I222 F267	Y214-R218 VanDerWaalsContact O-CB 3.29Å; Y214-R218 WeakPolarHBondContact O-CB 3.26Å; Y214-R218 PolarHBondContact O-N 3.39Å; L215-R218 WeakPolarHBondContact O-CB 3.21Å; L215-R218 PolarHBondContact O-N 2.9Å; R218-V221 PolarHBondContact O-N 3.06Å; R218-I222 HydrophobicContact CG-CD1 3.94Å; R218-I222 WeakPolarHBondContact O-CG1 3.48Å; R218-I222 PolarHBondContact O-N 3.28Å; R218-I222 VanDerWaalsContact O-N 3.07Å; R218-F267 HydrophobicContact CB-CD1 3.93Å; R218-F267 HydrophobicContact CB-CD2 4.39Å; R218-F267 HydrophobicContact CB-CE1 3.88Å; R218-F267 HydrophobicContact CB-CE2 4.32Å; R218-F267 HydrophobicContact CB-CG 4.2Å; R218-F267 HydrophobicContact CB-CZ 4.1Å; R218-F267 HydrophobicContact CG-CB 4.12Å; R218-F267 HydrophobicContact CG-CD1 3.95Å; R218-F267 HydrophobicContact CG-CD2 3.74Å; R218-F267 HydrophobicContact CG-CE1 4.25Å; R218-F267 HydrophobicContact CG-CE2 4.05Å; R218-F267 HydrophobicContact CG-CG 3.69Å; R218-F267 HydrophobicContact CG-CZ 4.32Å
219	Q	79.5	Confident	74.9	Confident	82 Å²	82	60.9 Å²	60.9	38%	0.383	32%	0.32	S	S	.	.	H	α-helix	trans	-67.5	-39.4	-179.4	-165.9	59	46.1	0	0	111.9	L215 D216 W217 V221 I222 N223	L215-Q219 WeakPolarHBondContact O-CB 3.27Å; L215-Q219 PolarHBondContact O-N 3.39Å; D216-Q219 PolarHBondContact O-N 2.87Å; W217-Q219 VanDerWaalsContact C-N 3.34Å; W217-Q219 PolarHBondContact O-N 3.2Å; Q219-V221 PolarHBondContact O-N 3.4Å; Q219-I222 PolarHBondContact O-N 2.92Å; Q219-N223 PolarHBondContact NE2-OD1 3.39Å; Q219-N223 VanDerWaalsContact O-CB 3.28Å; Q219-N223 WeakPolarHBondContact O-CB 3.28Å; Q219-N223 PolarHBondContact O-N 3.21Å; Q219-N223 PolarHBondContact O-ND2 2.89Å; Q219-N223 PolarHBondContact O-OD1 2.87Å
220	N	80	Confident	75.7	Confident	93 Å²	93	62.1 Å²	62.1	50%	0.497	33%	0.328	S	S	.	.	H	α-helix	trans	-62.8	-38.2	175.6	-81.1	-56.1	0	0	0	112.8	D216 W217 S224	D216-N220 VanDerWaalsContact O-CB 3.32Å; D216-N220 WeakPolarHBondContact O-CB 3.47Å; D216-N220 PolarHBondContact O-N 2.86Å; D216-N220 PolarHBondContact O-ND2 2.96Å; W217-N220 PolarHBondContact O-N 3.25Å; N220-S224 VanDerWaalsContact O-CB 3.26Å; N220-S224 WeakPolarHBondContact O-CB 3.5Å; N220-S224 PolarHBondContact O-N 2.93Å; N220-S224 PolarHBondContact O-OG 2.85Å
221	V	76.8	Confident	76.4	Confident	22 Å²	22	62.7 Å²	62.7	13%	0.133	34%	0.336	C	S	.	.	H	α-helix	trans	-67.2	-46	174.2	174.7	0	0	0	0	111.2	W217 R218 Q219 S224 I225 V263 F267	W217-V221 HydrophobicContact CZ2-CG2 4.35Å; W217-V221 WeakPolarHBondContact O-CG2 3.44Å; W217-V221 PolarHBondContact O-N 2.97Å; R218-V221 PolarHBondContact O-N 3.06Å; Q219-V221 PolarHBondContact O-N 3.4Å; V221-S224 WeakPolarHBondContact O-CB 3.2Å; V221-S224 PolarHBondContact O-N 3.46Å; V221-I225 HydrophobicContact CG1-CD1 3.97Å; V221-I225 WeakPolarHBondContact O-CG1 3.26Å; V221-I225 PolarHBondContact O-N 2.85Å; V221-V263 HydrophobicContact CG1-CG1 3.82Å; V221-F267 HydrophobicContact CB-CE2 4.06Å; V221-F267 HydrophobicContact CB-CZ 3.86Å; V221-F267 HydrophobicContact CG1-CE2 4.03Å; V221-F267 HydrophobicContact CG1-CZ 4.07Å; V221-F267 HydrophobicContact CG2-CZ 4.13Å
222	I	79.6	Confident	77.1	Confident	23 Å²	23	59.3 Å²	59.3	12%	0.118	32%	0.324	C	S	.	.	H	α-helix	trans	-62.2	-46.7	178.3	-67.5	165.2	0	0	0	110.6	R218 Q219 S224 I225 G226 E264 F267	R218-I222 HydrophobicContact CG-CD1 3.94Å; R218-I222 WeakPolarHBondContact O-CG1 3.48Å; R218-I222 PolarHBondContact O-N 3.28Å; R218-I222 VanDerWaalsContact O-N 3.07Å; Q219-I222 PolarHBondContact O-N 2.92Å; I222-S224 VanDerWaalsContact C-N 3.32Å; I222-S224 PolarHBondContact O-N 3.24Å; I222-I225 PolarHBondContact O-N 2.87Å; I222-G226 PolarHBondContact O-N 3.47Å; I222-E264 HydrophobicContact CD1-CG 4.32Å; I222-F267 HydrophobicContact CD1-CD2 4.41Å; I222-F267 HydrophobicContact CG1-CE2 4.34Å
223	N	81	Confident	77.3	Confident	80 Å²	80	58.6 Å²	58.6	43%	0.428	33%	0.33	S	S	.	.	H	α-helix	trans	-56.9	-45.6	174.4	-70.1	-6.2	0	0	0	111	Q219 I225 G226 T227	Q219-N223 PolarHBondContact NE2-OD1 3.39Å; Q219-N223 VanDerWaalsContact O-CB 3.28Å; Q219-N223 WeakPolarHBondContact O-CB 3.28Å; Q219-N223 PolarHBondContact O-N 3.21Å; Q219-N223 PolarHBondContact O-ND2 2.89Å; Q219-N223 PolarHBondContact O-OD1 2.87Å; N223-I225 VanDerWaalsContact C-N 3.32Å; N223-I225 PolarHBondContact O-N 3.32Å; N223-G226 PolarHBondContact O-N 3.46Å; N223-T227 WeakPolarHBondContact O-CB 3.37Å; N223-T227 PolarHBondContact O-N 3.31Å; N223-T227 PolarHBondContact O-OG1 3.49Å
224	S	78.7	Confident	77.5	Confident	22 Å²	22	60.9 Å²	60.9	15%	0.154	34%	0.339	C	S	.	.	H	α-helix	trans	-61.7	-36.9	178.4	-63.6	0	0	0	0	113.1	Y122 N220 V221 I222 C228	Y122-S224 VanDerWaalsContact CD1-CB 3.49Å; Y122-S224 VanDerWaalsContact CD1-OG 3.27Å; Y122-S224 WeakPolarHBondContact CD1-OG 3.35Å; N220-S224 VanDerWaalsContact O-CB 3.26Å; N220-S224 WeakPolarHBondContact O-CB 3.5Å; N220-S224 PolarHBondContact O-N 2.93Å; N220-S224 PolarHBondContact O-OG 2.85Å; V221-S224 WeakPolarHBondContact O-CB 3.2Å; V221-S224 PolarHBondContact O-N 3.46Å; I222-S224 VanDerWaalsContact C-N 3.32Å; I222-S224 PolarHBondContact O-N 3.24Å; S224-C228 PolarHBondContact O-N 3.37Å; S224-C228 PolarHBondContact O-SG 2.89Å
225	I	79.4	Confident	77.6	Confident	7 Å²	7	60.7 Å²	60.7	4%	0.036	34%	0.341	C	S	.	.	H	α-helix	trans	-71.3	-44.1	175.6	-67	166.7	0	0	0	110.6	V221 I222 N223 T227 C228 I229 Q260 V263	V221-I225 HydrophobicContact CG1-CD1 3.97Å; V221-I225 WeakPolarHBondContact O-CG1 3.26Å; V221-I225 PolarHBondContact O-N 2.85Å; I222-I225 PolarHBondContact O-N 2.87Å; N223-I225 VanDerWaalsContact C-N 3.32Å; N223-I225 PolarHBondContact O-N 3.32Å; I225-T227 VanDerWaalsContact C-N 3.31Å; I225-T227 PolarHBondContact O-N 3.2Å; I225-C228 WeakPolarHBondContact O-CA 3.41Å; I225-C228 VanDerWaalsContact O-CB 3.3Å; I225-C228 WeakPolarHBondContact O-CB 3.39Å; I225-C228 PolarHBondContact O-N 3.26Å; I225-I229 HydrophobicContact CG2-CD1 3.97Å; I225-I229 WeakPolarHBondContact O-CG1 3.39Å; I225-I229 PolarHBondContact O-N 2.61Å; I225-Q260 HydrophobicContact CG2-CB 3.84Å; I225-Q260 HydrophobicContact CG2-CG 4.17Å; I225-V263 HydrophobicContact CD1-CB 4.02Å; I225-V263 HydrophobicContact CD1-CG1 3.9Å; I225-V263 HydrophobicContact CD1-CG2 3.91Å
226	G	81.2	Confident	77.7	Confident	28 Å²	28	65.6 Å²	65.6	29%	0.289	36%	0.36	S	S	.	.	H	α-helix	trans	-58.6	-41	172.9	0	0	0	0	0	112.8	I222 N223 C228 I229 T230	I222-G226 PolarHBondContact O-N 3.47Å; N223-G226 PolarHBondContact O-N 3.46Å; G226-C228 VanDerWaalsContact C-N 3.31Å; G226-C228 PolarHBondContact O-N 2.94Å; G226-I229 PolarHBondContact O-N 3.11Å; G226-T230 PolarHBondContact O-N 2.91Å; G226-T230 PolarHBondContact O-OG1 3.46Å
227	T	81	Confident	77.7	Confident	78 Å²	78	64.4 Å²	64.4	48%	0.479	36%	0.36	S	S	.	.	H	α-helix	trans	-65	-31.2	172	-55.3	0	0	0	0	112.3	N223 I225 T230 N231	N223-T227 WeakPolarHBondContact O-CB 3.37Å; N223-T227 PolarHBondContact O-N 3.31Å; N223-T227 PolarHBondContact O-OG1 3.49Å; I225-T227 VanDerWaalsContact C-N 3.31Å; I225-T227 PolarHBondContact O-N 3.2Å; T227-T230 WeakPolarHBondContact CA-OG1 3.47Å; T227-T230 PolarHBondContact O-OG1 2.97Å; T227-N231 WeakPolarHBondContact O-CB 3.49Å; T227-N231 PolarHBondContact O-N 3.11Å; T227-N231 PolarHBondContact O-ND2 2.96Å
228	C	76.8	Confident	77.6	Confident	44 Å²	44	68.8 Å²	68.8	30%	0.297	39%	0.388	S	S	.	.	H	α-helix	trans	-67.1	-47.6	170.9	-67.3	0	0	0	0	111.8	Y122 S224 I225 G226 T230 N231 I232	Y122-C228 PolarHBondContact OH-SG 2.84Å; S224-C228 PolarHBondContact O-N 3.37Å; S224-C228 PolarHBondContact O-SG 2.89Å; I225-C228 WeakPolarHBondContact O-CA 3.41Å; I225-C228 VanDerWaalsContact O-CB 3.3Å; I225-C228 WeakPolarHBondContact O-CB 3.39Å; I225-C228 PolarHBondContact O-N 3.26Å; G226-C228 VanDerWaalsContact C-N 3.31Å; G226-C228 PolarHBondContact O-N 2.94Å; C228-T230 PolarHBondContact O-N 3.19Å; C228-N231 PolarHBondContact O-N 3.31Å; C228-I232 WeakPolarHBondContact O-CG1 3.08Å; C228-I232 PolarHBondContact O-N 2.89Å
229	I	80.5	Confident	76.7	Confident	15 Å²	15	68.2 Å²	68.2	8%	0.077	39%	0.393	C	S	.	.	H	α-helix	trans	-61.8	-43.6	-176.9	-67.1	162.9	0	0	0	111.2	I225 G226 N231 I232 A256 Y257	I225-I229 HydrophobicContact CG2-CD1 3.97Å; I225-I229 WeakPolarHBondContact O-CG1 3.39Å; I225-I229 PolarHBondContact O-N 2.61Å; G226-I229 PolarHBondContact O-N 3.11Å; I229-N231 VanDerWaalsContact C-N 3.32Å; I229-N231 PolarHBondContact O-N 2.63Å; I229-I232 WeakPolarHBondContact O-CG1 3.31Å; I229-I232 PolarHBondContact O-N 2.95Å; I229-A256 HydrophobicContact CD1-CB 4.4Å; I229-A256 HydrophobicContact CG1-CB 3.73Å; I229-Y257 HydrophobicContact CD1-CD1 4.05Å; I229-Y257 HydrophobicContact CD1-CE1 4.11Å; I229-Y257 HydrophobicContact CG2-CE1 4.37Å; I229-Y257 HydrophobicContact CG2-CE2 4.24Å
230	T	81.9	Confident	75.6	Confident	114 Å²	114	70.6 Å²	70.6	70%	0.699	42%	0.416	S	S	*	.	H	α-helix	trans	-71.4	-22	179.7	47.3	0	0	0	0	114.1	G226 T227 C228	G226-T230 PolarHBondContact O-N 2.91Å; G226-T230 PolarHBondContact O-OG1 3.46Å; T227-T230 WeakPolarHBondContact CA-OG1 3.47Å; T227-T230 PolarHBondContact O-OG1 2.97Å; C228-T230 PolarHBondContact O-N 3.19Å
231	N	80.7	Confident	75	Confident	120 Å²	120	71.6 Å²	71.6	64%	0.642	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.3	9.4	177.8	-77.8	-76.7	0	0	0	114.1	T227 C228 I229 P233	T227-N231 WeakPolarHBondContact O-CB 3.49Å; T227-N231 PolarHBondContact O-N 3.11Å; T227-N231 PolarHBondContact O-ND2 2.96Å; C228-N231 PolarHBondContact O-N 3.31Å; I229-N231 VanDerWaalsContact C-N 3.32Å; I229-N231 PolarHBondContact O-N 2.63Å; N231-P233 WeakPolarHBondContact O-CD 3.14Å
232	I	76.6	Confident	74.9	Confident	26 Å²	26	75.5 Å²	75.5	13%	0.133	43%	0.434	C	S	.	.	S	Bend	trans	-71.5	122.4	173.5	-52.5	173.7	0	0	0	108.6	C228 I229 V234 Y249 L252 I253 A256	C228-I232 WeakPolarHBondContact O-CG1 3.08Å; C228-I232 PolarHBondContact O-N 2.89Å; I229-I232 WeakPolarHBondContact O-CG1 3.31Å; I229-I232 PolarHBondContact O-N 2.95Å; I232-V234 PolarHBondContact O-N 3.43Å; I232-Y249 HydrophobicContact CB-CE2 4.09Å; I232-Y249 HydrophobicContact CG2-CD2 3.86Å; I232-Y249 HydrophobicContact CG2-CE2 3.53Å; I232-L252 HydrophobicContact CD1-CG 4.32Å; I232-L252 HydrophobicContact CG2-CD2 3.68Å; I232-L252 HydrophobicContact CG2-CG 4.35Å; I232-I253 HydrophobicContact CD1-CG1 4.13Å; I232-A256 HydrophobicContact CD1-CB 4.35Å
233	P	73.5	Confident	74.5	Confident	108 Å²	108	82 Å²	82	70%	0.701	46%	0.464	S	S	*	.			trans	-72.8	114.6	-175.6	27.8	-34.1	0	0	0	111.9	N231 Y249	N231-P233 WeakPolarHBondContact O-CD 3.14Å; P233-Y249 WeakPolarHBondContact O-CD2 3.14Å; P233-Y249 WeakPolarHBondContact O-CE2 3.19Å
234	V	74.1	Confident	74.2	Confident	96 Å²	96	81 Å²	81	58%	0.582	47%	0.467	S	S	*	.	P	Polyproline II helix	trans	-60.3	124.6	171.7	-174.3	0	0	0	0	109.6	I232 K236 Y249	I232-V234 PolarHBondContact O-N 3.43Å; V234-K236 PolarHBondContact O-N 3.44Å; V234-Y249 HydrophobicContact CB-CE2 4.39Å; V234-Y249 HydrophobicContact CG2-CE1 4.38Å; V234-Y249 HydrophobicContact CG2-CE2 4.21Å; V234-Y249 VanDerWaalsContact CG2-OH 3.25Å; V234-Y249 WeakPolarHBondContact CG2-OH 3.42Å
235	P	70.6	Confident	73.7	Confident	23 Å²	23	83.4 Å²	83.4	15%	0.149	48%	0.476	C	S	.	.	P	Polyproline II helix	trans	-65.1	132.6	172.8	26.9	-33.3	0	0	0	110	Y242 M245 Y249	P235-Y242 HydrophobicContact CB-CD2 4.4Å; P235-Y242 HydrophobicContact CG-CE2 4.49Å; P235-Y242 WeakPolarHBondContact O-CE2 3.46Å; P235-M245 HydrophobicContact CB-CB 3.89Å; P235-M245 HydrophobicContact CB-CE 4.3Å; P235-M245 HydrophobicContact CG-CB 4.17Å; P235-Y249 HydrophobicContact CG-CG 4.38Å
236	K	74.7	Confident	73.4	Confident	166 Å²	166	84.9 Å²	84.9	72%	0.722	49%	0.488	S	S	*	.	P	Polyproline II helix	trans	-80.6	145.7	177.1	-65.5	-178.6	-179.9	-180	0	110.4	V234 N238 C239 Y242	V234-K236 PolarHBondContact O-N 3.44Å; K236-N238 PolarHBondContact O-N 3.39Å; K236-C239 PolarHBondContact O-N 3.15Å; K236-C239 PolarHBondContact O-SG 3.12Å; K236-Y242 WeakPolarHBondContact O-CD2 3.4Å
237	S	72.9	Confident	73.1	Confident	83 Å²	83	88.3 Å²	88.3	58%	0.58	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53	-26.2	-178.6	47.6	0	0	0	0	115.1	C239	S237-C239 PolarHBondContact O-N 2.85Å
238	N	71.7	Confident	72.7	Confident	150 Å²	150	88.9 Å²	88.9	80%	0.802	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.2	10.8	-168.2	-57.3	11.3	0	0	0	113.2	K236	K236-N238 PolarHBondContact O-N 3.39Å
239	C	60	Low	72.8	Confident	52 Å²	52	89.2 Å²	89.2	35%	0.351	50%	0.504	S	S	.	.	S	Bend	trans	-98.6	137.5	-176.9	-58.9	0	0	0	0	111.5	K236 S237 N241 Y242 M245	K236-C239 PolarHBondContact O-N 3.15Å; K236-C239 PolarHBondContact O-SG 3.12Å; S237-C239 PolarHBondContact O-N 2.85Å; C239-N241 PolarHBondContact O-N 3.03Å; C239-Y242 WeakPolarHBondContact O-CB 3.35Å; C239-Y242 PolarHBondContact O-N 3.23Å; C239-M245 HydrophobicContact CB-CE 3.42Å; C239-M245 VanDerWaalsContact CB-CE 3.42Å
240	P	55.7	Low	72.8	Confident	133 Å²	133	94.9 Å²	94.9	86%	0.864	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.5	12.5	-173.4	29.7	-37	0	0	0	115.8
241	N	68.5	Low	72.6	Confident	113 Å²	113	91.2 Å²	91.2	60%	0.604	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-138.8	25.5	173.1	-80.3	-50.9	0	0	0	111.6	C239 E243 A244 M245	C239-N241 PolarHBondContact O-N 3.03Å; N241-E243 VanDerWaalsContact C-N 3.31Å; N241-E243 PolarHBondContact O-N 3.41Å; N241-A244 PolarHBondContact O-N 2.91Å; N241-M245 HydrophobicContact CB-CE 4.43Å; N241-M245 HydrophobicContact CB-CG 4.5Å; N241-M245 WeakPolarHBondContact O-CG 3.27Å; N241-M245 PolarHBondContact O-N 2.65Å
242	Y	73	Confident	72.5	Confident	105 Å²	105	89.2 Å²	89.2	41%	0.412	50%	0.496	S	S	.	.	H	α-helix	trans	-51.6	-44	-172.6	173.5	-105.6	0	0	0	113.8	P235 K236 C239 M245 S246	P235-Y242 HydrophobicContact CB-CD2 4.4Å; P235-Y242 HydrophobicContact CG-CE2 4.49Å; P235-Y242 WeakPolarHBondContact O-CE2 3.46Å; K236-Y242 WeakPolarHBondContact O-CD2 3.4Å; C239-Y242 WeakPolarHBondContact O-CB 3.35Å; C239-Y242 PolarHBondContact O-N 3.23Å; Y242-M245 CarbonylContact O-C 3.57Å; Y242-M245 PolarHBondContact O-N 2.85Å; Y242-S246 WeakPolarHBondContact O-CB 3.46Å; Y242-S246 PolarHBondContact O-N 3.46Å; Y242-S246 PolarHBondContact O-OG 3.18Å
243	E	73.1	Confident	72.7	Confident	160 Å²	160	89.9 Å²	89.9	75%	0.748	50%	0.5	S	S	*	.	H	α-helix	trans	-64.8	-45.4	-178.3	-173.6	171	-158	0	0	112.9	N241 M245 S246 V247	N241-E243 VanDerWaalsContact C-N 3.31Å; N241-E243 PolarHBondContact O-N 3.41Å; E243-M245 VanDerWaalsContact C-N 3.35Å; E243-M245 PolarHBondContact O-N 3.06Å; E243-S246 PolarHBondContact O-N 2.97Å; E243-S246 PolarHBondContact O-OG 3.22Å; E243-V247 WeakPolarHBondContact O-CG2 3.25Å; E243-V247 PolarHBondContact O-N 3.29Å; E243-V247 VanDerWaalsContact O-N 3.16Å
244	A	73.2	Confident	73	Confident	59 Å²	59	88.7 Å²	88.7	49%	0.488	49%	0.487	S	S	.	.	H	α-helix	trans	-63.2	-42.5	173.7	0	0	0	0	0	111.2	N241 S246 V247 C248	N241-A244 PolarHBondContact O-N 2.91Å; A244-S246 PolarHBondContact O-N 2.79Å; A244-V247 PolarHBondContact O-N 3.02Å; A244-C248 PolarHBondContact O-N 3.37Å; A244-C248 PolarHBondContact O-SG 3.15Å; A244-C248 VanDerWaalsContact O-SG 3.33Å
245	M	68.8	Low	73.1	Confident	71 Å²	71	87.8 Å²	87.8	35%	0.35	47%	0.473	S	S	.	.	H	α-helix	trans	-67.7	-32.8	177.7	-68.4	-169.3	-62.6	0	0	113	P235 C239 N241 Y242 E243 C248 Y249	P235-M245 HydrophobicContact CB-CB 3.89Å; P235-M245 HydrophobicContact CB-CE 4.3Å; P235-M245 HydrophobicContact CG-CB 4.17Å; C239-M245 HydrophobicContact CB-CE 3.42Å; C239-M245 VanDerWaalsContact CB-CE 3.42Å; N241-M245 HydrophobicContact CB-CE 4.43Å; N241-M245 HydrophobicContact CB-CG 4.5Å; N241-M245 WeakPolarHBondContact O-CG 3.27Å; N241-M245 PolarHBondContact O-N 2.65Å; Y242-M245 CarbonylContact O-C 3.57Å; Y242-M245 PolarHBondContact O-N 2.85Å; E243-M245 VanDerWaalsContact C-N 3.35Å; E243-M245 PolarHBondContact O-N 3.06Å; M245-C248 PolarHBondContact O-N 2.97Å; M245-Y249 WeakPolarHBondContact O-CB 3.34Å; M245-Y249 PolarHBondContact O-N 3.25Å
246	S	72.4	Confident	73.4	Confident	39 Å²	39	87.6 Å²	87.6	27%	0.273	47%	0.474	S	S	.	.	H	α-helix	trans	-71	-35.3	176.9	62.7	0	0	0	0	112.1	Y242 E243 A244 Y249 K250	Y242-S246 WeakPolarHBondContact O-CB 3.46Å; Y242-S246 PolarHBondContact O-N 3.46Å; Y242-S246 PolarHBondContact O-OG 3.18Å; E243-S246 PolarHBondContact O-N 2.97Å; E243-S246 PolarHBondContact O-OG 3.22Å; A244-S246 PolarHBondContact O-N 2.79Å; S246-Y249 PolarHBondContact O-N 3.41Å; S246-K250 WeakPolarHBondContact O-CB 3.33Å; S246-K250 PolarHBondContact O-N 3.45Å
247	V	76	Confident	73.6	Confident	100 Å²	100	84.4 Å²	84.4	61%	0.606	46%	0.458	S	S	*	.	H	α-helix	trans	-64.9	-45.5	171.4	174.1	0	0	0	0	110.8	E243 A244 K250 S251	E243-V247 WeakPolarHBondContact O-CG2 3.25Å; E243-V247 PolarHBondContact O-N 3.29Å; E243-V247 VanDerWaalsContact O-N 3.16Å; A244-V247 PolarHBondContact O-N 3.02Å; V247-K250 PolarHBondContact O-N 3.17Å; V247-S251 PolarHBondContact O-N 2.92Å
248	C	72.8	Confident	73.8	Confident	89 Å²	89	82.6 Å²	82.6	60%	0.601	45%	0.448	S	S	*	.	H	α-helix	trans	-62.1	-43.1	174.6	-66.5	0	0	0	0	112.5	A244 M245 S251 L252	A244-C248 PolarHBondContact O-N 3.37Å; A244-C248 PolarHBondContact O-SG 3.15Å; A244-C248 VanDerWaalsContact O-SG 3.33Å; M245-C248 PolarHBondContact O-N 2.97Å; C248-S251 PolarHBondContact O-N 3.15Å; C248-L252 WeakPolarHBondContact O-CB 3.33Å; C248-L252 PolarHBondContact O-N 3.43Å
249	Y	79	Confident	74.2	Confident	51 Å²	51	77.5 Å²	77.5	20%	0.2	42%	0.421	C	S	.	.	H	α-helix	trans	-62.3	-45	178.1	179.5	-97.1	0	0	0	111.7	I232 P233 V234 P235 M245 S246 L252 I253	I232-Y249 HydrophobicContact CB-CE2 4.09Å; I232-Y249 HydrophobicContact CG2-CD2 3.86Å; I232-Y249 HydrophobicContact CG2-CE2 3.53Å; P233-Y249 WeakPolarHBondContact O-CD2 3.14Å; P233-Y249 WeakPolarHBondContact O-CE2 3.19Å; V234-Y249 HydrophobicContact CB-CE2 4.39Å; V234-Y249 HydrophobicContact CG2-CE1 4.38Å; V234-Y249 HydrophobicContact CG2-CE2 4.21Å; V234-Y249 VanDerWaalsContact CG2-OH 3.25Å; V234-Y249 WeakPolarHBondContact CG2-OH 3.42Å; P235-Y249 HydrophobicContact CG-CG 4.38Å; M245-Y249 WeakPolarHBondContact O-CB 3.34Å; M245-Y249 PolarHBondContact O-N 3.25Å; S246-Y249 PolarHBondContact O-N 3.41Å; Y249-L252 PolarHBondContact O-N 2.96Å; Y249-I253 HydrophobicContact CD1-CD1 4.05Å; Y249-I253 HydrophobicContact CE1-CD1 3.32Å; Y249-I253 HydrophobicContact CE1-CG1 4.26Å; Y249-I253 HydrophobicContact CE2-CD1 4.46Å; Y249-I253 PolarHBondContact O-N 3.4Å
250	K	80.5	Confident	75.2	Confident	134 Å²	134	77 Å²	77	58%	0.583	41%	0.413	S	S	*	.	H	α-helix	trans	-60	-51.4	174.1	-176.5	177.7	176.1	-177.7	0	111.3	S246 V247 L252 I253 D254	S246-K250 WeakPolarHBondContact O-CB 3.33Å; S246-K250 PolarHBondContact O-N 3.45Å; V247-K250 PolarHBondContact O-N 3.17Å; K250-L252 PolarHBondContact O-N 3.06Å; K250-I253 PolarHBondContact O-N 2.84Å; K250-I253 VanDerWaalsContact O-N 3.09Å; K250-D254 PolarHBondContact O-N 3.02Å
251	S	77	Confident	76.1	Confident	38 Å²	38	74.8 Å²	74.8	27%	0.266	39%	0.392	S	S	.	.	H	α-helix	trans	-61.1	-28.6	178.9	-167.4	0	0	0	0	113	V247 C248 R255	V247-S251 PolarHBondContact O-N 2.92Å; C248-S251 PolarHBondContact O-N 3.15Å; S251-R255 WeakPolarHBondContact O-CB 3.33Å; S251-R255 WeakPolarHBondContact O-CD 3.49Å; S251-R255 WeakPolarHBondContact O-CG 3.4Å; S251-R255 PolarHBondContact O-N 3.03Å; S251-R255 PolarHBondContact O-NE 3.14Å; S251-R255 PolarHBondContact OG-NE 3.12Å; S251-R255 PolarHBondContact OG-NH2 2.96Å
252	L	78.1	Confident	76.3	Confident	78 Å²	78	71.5 Å²	71.5	41%	0.408	38%	0.377	S	S	.	.	H	α-helix	trans	-73.3	-40.8	174.7	-175.6	60.2	0	0	0	112.3	I232 C248 Y249 K250 A256	I232-L252 HydrophobicContact CD1-CG 4.32Å; I232-L252 HydrophobicContact CG2-CD2 3.68Å; I232-L252 HydrophobicContact CG2-CG 4.35Å; C248-L252 WeakPolarHBondContact O-CB 3.33Å; C248-L252 PolarHBondContact O-N 3.43Å; Y249-L252 PolarHBondContact O-N 2.96Å; K250-L252 PolarHBondContact O-N 3.06Å; L252-A256 WeakPolarHBondContact O-CB 3.39Å; L252-A256 PolarHBondContact O-N 3.15Å
253	I	81.8	Confident	76.4	Confident	39 Å²	39	67 Å²	67	20%	0.2	36%	0.361	C	S	.	.	H	α-helix	trans	-61.4	-50.1	171.2	-77.7	-178.6	0	0	0	111	I232 Y249 K250 R255 A256 Y257	I232-I253 HydrophobicContact CD1-CG1 4.13Å; Y249-I253 HydrophobicContact CD1-CD1 4.05Å; Y249-I253 HydrophobicContact CE1-CD1 3.32Å; Y249-I253 HydrophobicContact CE1-CG1 4.26Å; Y249-I253 HydrophobicContact CE2-CD1 4.46Å; Y249-I253 PolarHBondContact O-N 3.4Å; K250-I253 PolarHBondContact O-N 2.84Å; K250-I253 VanDerWaalsContact O-N 3.09Å; I253-R255 VanDerWaalsContact C-N 3.28Å; I253-R255 PolarHBondContact O-N 3Å; I253-A256 PolarHBondContact O-N 3.38Å; I253-Y257 HydrophobicContact CG2-CD2 3.64Å; I253-Y257 HydrophobicContact CG2-CE2 3.66Å; I253-Y257 PolarHBondContact O-N 3.19Å
254	D	78.6	Confident	76.5	Confident	83 Å²	83	62.9 Å²	62.9	44%	0.444	34%	0.342	S	S	.	.	H	α-helix	trans	-58.1	-43.1	-177.4	-61.8	-24.2	0	0	0	110.5	K250 A258	K250-D254 PolarHBondContact O-N 3.02Å; D254-A258 WeakPolarHBondContact O-CB 3.16Å; D254-A258 PolarHBondContact O-N 3.4Å
255	R	76.1	Confident	76.3	Confident	77 Å²	77	63.9 Å²	63.9	29%	0.291	34%	0.338	S	S	.	.	H	α-helix	trans	-65.3	-35.8	173.7	-71.3	174.1	-141.4	-162.3	4.3	113.1	N14 S251 I253 A258 L259	N14-R255 PolarHBondContact OD1-NH1 2.93Å; S251-R255 WeakPolarHBondContact O-CB 3.33Å; S251-R255 WeakPolarHBondContact O-CD 3.49Å; S251-R255 WeakPolarHBondContact O-CG 3.4Å; S251-R255 PolarHBondContact O-N 3.03Å; S251-R255 PolarHBondContact O-NE 3.14Å; S251-R255 PolarHBondContact OG-NE 3.12Å; S251-R255 PolarHBondContact OG-NH2 2.96Å; I253-R255 VanDerWaalsContact C-N 3.28Å; I253-R255 PolarHBondContact O-N 3Å; R255-A258 PolarHBondContact O-N 3.26Å; R255-L259 PolarHBondContact O-N 3.38Å
256	A	76.7	Confident	76.3	Confident	20 Å²	20	63.6 Å²	63.6	17%	0.165	33%	0.333	C	S	.	.	H	α-helix	trans	-73.3	-37.8	-178.4	0	0	0	0	0	112.4	I229 I232 L252 I253 L259 Q260	I229-A256 HydrophobicContact CD1-CB 4.4Å; I229-A256 HydrophobicContact CG1-CB 3.73Å; I232-A256 HydrophobicContact CD1-CB 4.35Å; L252-A256 WeakPolarHBondContact O-CB 3.39Å; L252-A256 PolarHBondContact O-N 3.15Å; I253-A256 PolarHBondContact O-N 3.38Å; A256-L259 WeakPolarHBondContact O-CB 3.45Å; A256-L259 PolarHBondContact O-N 3.04Å; A256-Q260 PolarHBondContact O-N 2.93Å
257	Y	80.2	Confident	76.4	Confident	98 Å²	98	61.8 Å²	61.8	38%	0.384	32%	0.321	S	S	.	.	H	α-helix	trans	-68.5	-38.5	169.7	-78.5	-62.3	0	0	0	112.4	I229 I253 L259 Q260 Q261	I229-Y257 HydrophobicContact CD1-CD1 4.05Å; I229-Y257 HydrophobicContact CD1-CE1 4.11Å; I229-Y257 HydrophobicContact CG2-CE1 4.37Å; I229-Y257 HydrophobicContact CG2-CE2 4.24Å; I253-Y257 HydrophobicContact CG2-CD2 3.64Å; I253-Y257 HydrophobicContact CG2-CE2 3.66Å; I253-Y257 PolarHBondContact O-N 3.19Å; Y257-L259 VanDerWaalsContact C-N 3.28Å; Y257-L259 PolarHBondContact O-N 3.35Å; Y257-Q260 WeakPolarHBondContact O-CB 3.48Å; Y257-Q260 PolarHBondContact O-N 2.77Å; Y257-Q260 VanDerWaalsContact O-N 3.15Å; Y257-Q261 PolarHBondContact O-N 2.89Å
258	A	77	Confident	75.9	Confident	45 Å²	45	58.1 Å²	58.1	37%	0.372	30%	0.303	S	S	.	.	H	α-helix	trans	-61.6	-36.4	173.2	0	0	0	0	0	112.3	D254 R255 S262	D254-A258 WeakPolarHBondContact O-CB 3.16Å; D254-A258 PolarHBondContact O-N 3.4Å; R255-A258 PolarHBondContact O-N 3.26Å; A258-S262 WeakPolarHBondContact O-CB 3.33Å; A258-S262 PolarHBondContact O-N 3.24Å; A258-S262 PolarHBondContact O-OG 3.19Å
259	L	80.2	Confident	75.3	Confident	43 Å²	43	58 Å²	58	23%	0.225	30%	0.295	C	S	.	.	H	α-helix	trans	-63.9	-44.7	171.3	175.3	65.5	0	0	0	111.7	F118 R255 A256 Y257 S262 V263	F118-L259 HydrophobicContact CE1-CD2 4.44Å; F118-L259 HydrophobicContact CE2-CD1 4.32Å; F118-L259 HydrophobicContact CE2-CD2 3.9Å; F118-L259 HydrophobicContact CZ-CD2 3.58Å; R255-L259 PolarHBondContact O-N 3.38Å; A256-L259 WeakPolarHBondContact O-CB 3.45Å; A256-L259 PolarHBondContact O-N 3.04Å; Y257-L259 VanDerWaalsContact C-N 3.28Å; Y257-L259 PolarHBondContact O-N 3.35Å; L259-S262 PolarHBondContact O-N 3.04Å; L259-V263 HydrophobicContact CD1-CG2 4.19Å; L259-V263 WeakPolarHBondContact O-CG2 3.49Å; L259-V263 PolarHBondContact O-N 2.92Å
260	Q	79.7	Confident	74.6	Confident	42 Å²	42	57.3 Å²	57.3	20%	0.196	29%	0.294	C	S	.	.	H	α-helix	trans	-57.6	-51	176.8	-171.7	-174.4	-31.3	0	0	111.2	I225 A256 Y257 S262 V263 E264	I225-Q260 HydrophobicContact CG2-CB 3.84Å; I225-Q260 HydrophobicContact CG2-CG 4.17Å; A256-Q260 PolarHBondContact O-N 2.93Å; Y257-Q260 WeakPolarHBondContact O-CB 3.48Å; Y257-Q260 PolarHBondContact O-N 2.77Å; Y257-Q260 VanDerWaalsContact O-N 3.15Å; Q260-S262 VanDerWaalsContact C-N 3.32Å; Q260-S262 PolarHBondContact O-N 3.04Å; Q260-V263 PolarHBondContact O-N 2.89Å; Q260-V263 VanDerWaalsContact O-N 3.1Å; Q260-E264 WeakPolarHBondContact CG-OE1 3.4Å; Q260-E264 PolarHBondContact NE2-OE1 2.98Å; Q260-E264 WeakPolarHBondContact O-CG 3.46Å; Q260-E264 PolarHBondContact O-N 3.37Å
261	Q	76.2	Confident	73.8	Confident	87 Å²	87	53.1 Å²	53.1	41%	0.407	28%	0.277	S	S	.	.	H	α-helix	trans	-57.9	-43.1	175.8	-68.7	178.7	1.6	0	0	112.1	Y257 V263 E264 L265 N335	Y257-Q261 PolarHBondContact O-N 2.89Å; Q261-V263 PolarHBondContact O-N 3.32Å; Q261-E264 PolarHBondContact O-N 3.24Å; Q261-L265 WeakPolarHBondContact O-CB 3.35Å; Q261-L265 VanDerWaalsContact O-CG 3.29Å; Q261-L265 WeakPolarHBondContact O-CG 3.5Å; Q261-L265 PolarHBondContact O-N 3.44Å; Q261-N335 PolarHBondContact OE1-ND2 3.44Å
262	S	72	Confident	72.6	Confident	44 Å²	44	56.4 Å²	56.4	31%	0.308	29%	0.292	S	S	.	.	H	α-helix	trans	-63.7	-26.8	178.7	-59.3	0	0	0	0	113.3	Y111 A258 L259 Q260 Y266	Y111-S262 PolarHBondContact OH-O 3.25Å; Y111-S262 VanDerWaalsContact OH-O 3.06Å; A258-S262 WeakPolarHBondContact O-CB 3.33Å; A258-S262 PolarHBondContact O-N 3.24Å; A258-S262 PolarHBondContact O-OG 3.19Å; L259-S262 PolarHBondContact O-N 3.04Å; Q260-S262 VanDerWaalsContact C-N 3.32Å; Q260-S262 PolarHBondContact O-N 3.04Å; S262-Y266 PolarHBondContact O-N 3.2Å
263	V	74.7	Confident	70.9	Confident	10 Å²	10	55.9 Å²	55.9	6%	0.061	29%	0.294	C	S	.	.	H	α-helix	trans	-85.6	-40.1	176.9	166.7	0	0	0	0	111	V221 I225 L259 Q260 Q261 L265 Y266 F267	V221-V263 HydrophobicContact CG1-CG1 3.82Å; I225-V263 HydrophobicContact CD1-CB 4.02Å; I225-V263 HydrophobicContact CD1-CG1 3.9Å; I225-V263 HydrophobicContact CD1-CG2 3.91Å; L259-V263 HydrophobicContact CD1-CG2 4.19Å; L259-V263 WeakPolarHBondContact O-CG2 3.49Å; L259-V263 PolarHBondContact O-N 2.92Å; Q260-V263 PolarHBondContact O-N 2.89Å; Q260-V263 VanDerWaalsContact O-N 3.1Å; Q261-V263 PolarHBondContact O-N 3.32Å; V263-L265 VanDerWaalsContact C-N 3.34Å; V263-L265 PolarHBondContact O-N 3.1Å; V263-Y266 WeakPolarHBondContact O-CB 3.27Å; V263-Y266 PolarHBondContact O-N 3.01Å; V263-F267 HydrophobicContact CG1-CD2 3.73Å; V263-F267 HydrophobicContact CG1-CE2 3.33Å; V263-F267 HydrophobicContact CG1-CZ 4.26Å; V263-F267 WeakPolarHBondContact O-CD2 3.3Å; V263-F267 PolarHBondContact O-N 3.28Å
264	E	75.3	Confident	69.2	Low	74 Å²	74	58 Å²	58	35%	0.346	31%	0.305	S	S	.	.	H	α-helix	trans	-60.3	-42.4	172.2	-72.6	171.2	-173	0	0	111.8	I222 Q260 Q261 F267 G268	I222-E264 HydrophobicContact CD1-CG 4.32Å; Q260-E264 WeakPolarHBondContact CG-OE1 3.4Å; Q260-E264 PolarHBondContact NE2-OE1 2.98Å; Q260-E264 WeakPolarHBondContact O-CG 3.46Å; Q260-E264 PolarHBondContact O-N 3.37Å; Q261-E264 PolarHBondContact O-N 3.24Å; E264-F267 PolarHBondContact O-N 2.82Å; E264-G268 PolarHBondContact O-N 2.9Å
265	L	70.2	Confident	67.5	Low	79 Å²	79	57.3 Å²	57.3	41%	0.414	31%	0.307	S	S	.	.	H	α-helix	trans	-61.5	-41.1	172.6	-75.6	165	0	0	0	112.5	Q261 V263 G268 M269 I331	Q261-L265 WeakPolarHBondContact O-CB 3.35Å; Q261-L265 VanDerWaalsContact O-CG 3.29Å; Q261-L265 WeakPolarHBondContact O-CG 3.5Å; Q261-L265 PolarHBondContact O-N 3.44Å; V263-L265 VanDerWaalsContact C-N 3.34Å; V263-L265 PolarHBondContact O-N 3.1Å; L265-G268 PolarHBondContact O-N 3.1Å; L265-M269 WeakPolarHBondContact O-CG 3.47Å; L265-M269 PolarHBondContact O-N 3.11Å; L265-I331 HydrophobicContact CD1-CD1 4.21Å; L265-I331 HydrophobicContact CD1-CG2 4.02Å; L265-I331 HydrophobicContact CD2-CD1 4.31Å
266	Y	68.5	Low	65.5	Low	65 Å²	65	63.3 Å²	63.3	26%	0.255	33%	0.331	S	S	.	.	H	α-helix	trans	-64.3	-43.7	176.8	177.1	-104.9	0	0	0	112.2	Y111 L115 S262 V263 G268 M269 I270	Y111-Y266 HydrophobicContact CE1-CD2 4.27Å; Y111-Y266 WeakPolarHBondContact OH-CB 3.31Å; L115-Y266 HydrophobicContact CD1-CD1 3.9Å; L115-Y266 HydrophobicContact CD1-CD2 4.49Å; L115-Y266 HydrophobicContact CD1-CE1 3.69Å; L115-Y266 HydrophobicContact CD1-CE2 4.33Å; L115-Y266 HydrophobicContact CD1-CG 4.29Å; L115-Y266 HydrophobicContact CD2-CE1 4.24Å; S262-Y266 PolarHBondContact O-N 3.2Å; V263-Y266 WeakPolarHBondContact O-CB 3.27Å; V263-Y266 PolarHBondContact O-N 3.01Å; Y266-G268 VanDerWaalsContact C-N 3.32Å; Y266-G268 PolarHBondContact O-N 2.96Å; Y266-M269 HydrophobicContact CD2-CE 4.28Å; Y266-M269 PolarHBondContact O-N 2.88Å; Y266-I270 HydrophobicContact CD1-CD1 3.92Å; Y266-I270 HydrophobicContact CE1-CD1 3.47Å; Y266-I270 VanDerWaalsContact CE1-CD1 3.47Å; Y266-I270 HydrophobicContact CE2-CD1 4.33Å; Y266-I270 WeakPolarHBondContact O-CG1 3.17Å; Y266-I270 PolarHBondContact O-N 3.02Å
267	F	73.4	Confident	63.4	Low	2 Å²	2	69 Å²	69	1%	0.009	36%	0.359	C	S	.	.	H	α-helix	trans	-64	-35.6	172.1	-70.4	-56.3	0	0	0	112.7	Y214 W217 R218 V221 I222 V263 E264 I270 Q271	Y214-F267 HydrophobicContact CE2-CD1 4.06Å; Y214-F267 HydrophobicContact CE2-CE1 4.44Å; Y214-F267 WeakPolarHBondContact OH-CD1 3.45Å; Y214-F267 PolarHBondContact OH-O 3.07Å; W217-F267 HydrophobicContact CD2-CE1 4.39Å; W217-F267 AromaticContact CE3-CE1 3.9Å; W217-F267 HydrophobicContact CE3-CE1 3.9Å; W217-F267 AromaticContact CH2-CE1 3.73Å; W217-F267 HydrophobicContact CH2-CE1 3.73Å; W217-F267 HydrophobicContact CH2-CZ 4.32Å; W217-F267 HydrophobicContact CZ2-CE1 4.2Å; W217-F267 HydrophobicContact CZ2-CZ 4.36Å; W217-F267 HydrophobicContact CZ3-CD1 4.41Å; W217-F267 AromaticContact CZ3-CE1 3.59Å; W217-F267 HydrophobicContact CZ3-CE1 3.59Å; W217-F267 HydrophobicContact CZ3-CZ 4.48Å; R218-F267 HydrophobicContact CB-CD1 3.93Å; R218-F267 HydrophobicContact CB-CD2 4.39Å; R218-F267 HydrophobicContact CB-CE1 3.88Å; R218-F267 HydrophobicContact CB-CE2 4.32Å; R218-F267 HydrophobicContact CB-CG 4.2Å; R218-F267 HydrophobicContact CB-CZ 4.1Å; R218-F267 HydrophobicContact CG-CB 4.12Å; R218-F267 HydrophobicContact CG-CD1 3.95Å; R218-F267 HydrophobicContact CG-CD2 3.74Å; R218-F267 HydrophobicContact CG-CE1 4.25Å; R218-F267 HydrophobicContact CG-CE2 4.05Å; R218-F267 HydrophobicContact CG-CG 3.69Å; R218-F267 HydrophobicContact CG-CZ 4.32Å; V221-F267 HydrophobicContact CB-CE2 4.06Å; V221-F267 HydrophobicContact CB-CZ 3.86Å; V221-F267 HydrophobicContact CG1-CE2 4.03Å; V221-F267 HydrophobicContact CG1-CZ 4.07Å; V221-F267 HydrophobicContact CG2-CZ 4.13Å; I222-F267 HydrophobicContact CD1-CD2 4.41Å; I222-F267 HydrophobicContact CG1-CE2 4.34Å; V263-F267 HydrophobicContact CG1-CD2 3.73Å; V263-F267 HydrophobicContact CG1-CE2 3.33Å; V263-F267 HydrophobicContact CG1-CZ 4.26Å; V263-F267 WeakPolarHBondContact O-CD2 3.3Å; V263-F267 PolarHBondContact O-N 3.28Å; E264-F267 PolarHBondContact O-N 2.82Å; F267-I270 PolarHBondContact O-N 3.12Å; F267-Q271 WeakPolarHBondContact O-CG 3.46Å; F267-Q271 PolarHBondContact O-N 2.8Å
268	G	67	Low	61	Low	23 Å²	23	68.8 Å²	68.8	24%	0.237	37%	0.372	C	S	.	.	H	α-helix	trans	-62.9	-43.6	172.1	0	0	0	0	0	112.8	E264 L265 Y266 I270 Q271 N272	E264-G268 PolarHBondContact O-N 2.9Å; L265-G268 PolarHBondContact O-N 3.1Å; Y266-G268 VanDerWaalsContact C-N 3.32Å; Y266-G268 PolarHBondContact O-N 2.96Å; G268-I270 VanDerWaalsContact C-N 3.35Å; G268-I270 PolarHBondContact O-N 3.32Å; G268-Q271 PolarHBondContact O-N 3.46Å; G268-N272 WeakPolarHBondContact O-CB 3.5Å; G268-N272 PolarHBondContact O-N 3.37Å
269	M	59.2	Low	58.7	Low	87 Å²	87	73.6 Å²	73.6	43%	0.429	39%	0.39	S	S	.	.	H	α-helix	trans	-61.8	-40.3	174.3	-71.8	-171.4	-67.3	0	0	112.3	L265 Y266 N272 S273 L324	L265-M269 WeakPolarHBondContact O-CG 3.47Å; L265-M269 PolarHBondContact O-N 3.11Å; Y266-M269 HydrophobicContact CD2-CE 4.28Å; Y266-M269 PolarHBondContact O-N 2.88Å; M269-N272 PolarHBondContact O-N 2.93Å; M269-S273 PolarHBondContact O-N 2.66Å; M269-S273 PolarHBondContact O-OG 3.32Å; M269-L324 HydrophobicContact SD-CD1 4.37Å
270	I	64.3	Low	56.2	Low	36 Å²	36	76.7 Å²	76.7	19%	0.185	41%	0.413	C	S	.	.	H	α-helix	trans	-66.2	-43.6	174.7	-66.4	166.8	0	0	0	111.1	Y214 Y266 F267 G268 N272 S273 L274	Y214-I270 HydrophobicContact CD2-CG2 4.43Å; Y214-I270 HydrophobicContact CE2-CB 4.29Å; Y214-I270 HydrophobicContact CE2-CD1 4.36Å; Y214-I270 HydrophobicContact CE2-CG2 3.57Å; Y214-I270 WeakPolarHBondContact OH-CB 3.34Å; Y214-I270 WeakPolarHBondContact OH-CG2 3.39Å; Y266-I270 HydrophobicContact CD1-CD1 3.92Å; Y266-I270 HydrophobicContact CE1-CD1 3.47Å; Y266-I270 VanDerWaalsContact CE1-CD1 3.47Å; Y266-I270 HydrophobicContact CE2-CD1 4.33Å; Y266-I270 WeakPolarHBondContact O-CG1 3.17Å; Y266-I270 PolarHBondContact O-N 3.02Å; F267-I270 PolarHBondContact O-N 3.12Å; G268-I270 VanDerWaalsContact C-N 3.35Å; G268-I270 PolarHBondContact O-N 3.32Å; I270-N272 VanDerWaalsContact C-N 3.29Å; I270-N272 PolarHBondContact O-N 3.37Å; I270-S273 PolarHBondContact O-N 2.97Å; I270-S273 PolarHBondContact O-OG 2.86Å; I270-L274 HydrophobicContact CG2-CD1 3.79Å; I270-L274 HydrophobicContact CG2-CG 4.25Å; I270-L274 WeakPolarHBondContact O-CB 3.39Å; I270-L274 VanDerWaalsContact O-CG 3.29Å; I270-L274 WeakPolarHBondContact O-CG 3.25Å; I270-L274 PolarHBondContact O-N 3.33Å
271	Q	64.6	Low	53.8	Low	45 Å²	45	83.1 Å²	83.1	21%	0.21	44%	0.443	C	S	.	.	H	α-helix	trans	-61.5	-39.1	176.6	-74.6	177.7	-69.4	0	0	111.8	Y214 F267 G268 S275	Y214-Q271 HydrophobicContact CE1-CG 3.76Å; F267-Q271 WeakPolarHBondContact O-CG 3.46Å; F267-Q271 PolarHBondContact O-N 2.8Å; G268-Q271 PolarHBondContact O-N 3.46Å; Q271-S275 WeakPolarHBondContact O-CB 3.32Å; Q271-S275 PolarHBondContact O-N 3.41Å; Q271-S275 PolarHBondContact O-OG 3.03Å
272	N	51.2	Low	51.6	Low	108 Å²	108	88.2 Å²	88.2	58%	0.578	47%	0.467	S	S	*	.	H	α-helix	trans	-67.2	-39.6	174.8	-68.3	-10.9	0	0	0	112.5	G268 M269 I270 S275 Y276	G268-N272 WeakPolarHBondContact O-CB 3.5Å; G268-N272 PolarHBondContact O-N 3.37Å; M269-N272 PolarHBondContact O-N 2.93Å; I270-N272 VanDerWaalsContact C-N 3.29Å; I270-N272 PolarHBondContact O-N 3.37Å; N272-S275 PolarHBondContact O-N 3.17Å; N272-Y276 PolarHBondContact O-N 3.41Å
273	S	42	Very low	49.6	Very low	67 Å²	67	93.7 Å²	93.7	47%	0.469	49%	0.487	S	S	.	.	H	α-helix	trans	-71.8	-30.7	177.7	69.6	0	0	0	0	113.3	M269 I270 N277	M269-S273 PolarHBondContact O-N 2.66Å; M269-S273 PolarHBondContact O-OG 3.32Å; I270-S273 PolarHBondContact O-N 2.97Å; I270-S273 PolarHBondContact O-OG 2.86Å; S273-N277 PolarHBondContact O-ND2 3.28Å
274	L	45.8	Very low	47.4	Very low	82 Å²	82	101.2 Å²	101.2	43%	0.429	53%	0.526	S	S	.	.	H	α-helix	trans	-70.1	-41.1	170.9	-69.4	169.9	0	0	0	111.6	Y211 I270 Y276 N277	Y211-L274 HydrophobicContact CE2-CD1 4.42Å; I270-L274 HydrophobicContact CG2-CD1 3.79Å; I270-L274 HydrophobicContact CG2-CG 4.25Å; I270-L274 WeakPolarHBondContact O-CB 3.39Å; I270-L274 VanDerWaalsContact O-CG 3.29Å; I270-L274 WeakPolarHBondContact O-CG 3.25Å; I270-L274 PolarHBondContact O-N 3.33Å; L274-Y276 PolarHBondContact O-N 3.22Å; L274-N277 PolarHBondContact O-N 2.99Å
275	S	43	Very low	45.1	Very low	69 Å²	69	104 Å²	104	48%	0.483	54%	0.543	S	S	.	.	H	α-helix	trans	-65.1	-16.7	178.3	-57.1	0	0	0	0	113.9	Q271 N272 N277 S278	Q271-S275 WeakPolarHBondContact O-CB 3.32Å; Q271-S275 PolarHBondContact O-N 3.41Å; Q271-S275 PolarHBondContact O-OG 3.03Å; N272-S275 PolarHBondContact O-N 3.17Å; S275-N277 VanDerWaalsContact C-N 3.27Å; S275-N277 PolarHBondContact O-N 2.78Å; S275-S278 PolarHBondContact O-OG 2.94Å
276	Y	33.8	Very low	43	Very low	204 Å²	204	108 Å²	108	80%	0.8	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.1	-7.7	177.5	-112.2	-85.8	0	0	0	114.4	N272 L274	N272-Y276 PolarHBondContact O-N 3.41Å; L274-Y276 PolarHBondContact O-N 3.22Å
277	N	32.6	Very low	41	Very low	138 Å²	138	111.9 Å²	111.9	74%	0.738	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.8	13.2	-179	-68.2	-65.9	0	0	0	114.1	S273 L274 S275	S273-N277 PolarHBondContact O-ND2 3.28Å; L274-N277 PolarHBondContact O-N 2.99Å; S275-N277 VanDerWaalsContact C-N 3.27Å; S275-N277 PolarHBondContact O-N 2.78Å
278	S	30.5	Very low	38.7	Very low	94 Å²	94	116 Å²	116	66%	0.657	62%	0.624	S	S	*	*	S	Bend	trans	-102.1	8.8	-179.8	42.8	0	0	0	0	115.4	S275	S275-S278 PolarHBondContact O-OG 2.94Å
279	L	27.8	Very low	36.7	Very low	146 Å²	146	123.9 Å²	123.9	76%	0.764	66%	0.657	S	S	*	*			trans	-118.7	148.4	160.6	-82.8	73.7	0	0	0	107.3
280	P	29.4	Very low	35	Very low	109 Å²	109	126.4 Å²	126.4	71%	0.708	67%	0.673	S	S	*	*			cis	-141.9	104.4	24.7	36.1	-13.8	0	0	0	115.3
281	H	28.9	Very low	33.2	Very low	177 Å²	177	130 Å²	130	82%	0.819	70%	0.701	S	S	*	*			trans	-142	65.1	169.2	-82.6	-38.3	0	0	0	113.2
282	Q	30.2	Very low	31.3	Very low	193 Å²	193	133.3 Å²	133.3	90%	0.902	73%	0.726	S	S	*	*	S	Bend	trans	-150.8	125.5	157.1	-117.1	165.7	20.2	0	0	111.3
283	H	29.7	Very low	30.1	Very low	159 Å²	159	135 Å²	135	74%	0.736	74%	0.74	S	S	*	*			trans	19.8	104.5	166.8	-135.5	-83.4	0	0	0	118.4	D285	H283-D285 VanDerWaalsContact C-N 3.34Å; H283-D285 PolarHBondContact ND1-N 3.05Å; H283-D285 PolarHBondContact O-N 2.78Å; H283-D285 VanDerWaalsContact O-N 3.14Å
284	L	28.2	Very low	29.3	Very low	169 Å²	169	140.2 Å²	140.2	89%	0.885	76%	0.757	S	S	*	*	S	Bend	trans	-68.7	98	145.6	-82.7	163.1	0	0	0	107.3
285	D	26.1	Very low	28.4	Very low	131 Å²	131	142.4 Å²	142.4	70%	0.701	77%	0.769	S	S	*	*	S	Bend	trans	177.1	139.6	137.8	-85.4	-24.2	0	0	0	108.4	H283	H283-D285 VanDerWaalsContact C-N 3.34Å; H283-D285 PolarHBondContact ND1-N 3.05Å; H283-D285 PolarHBondContact O-N 2.78Å; H283-D285 VanDerWaalsContact O-N 3.14Å
286	D	26.2	Very low	27.7	Very low	163 Å²	163	144.4 Å²	144.4	87%	0.872	78%	0.78	S	S	*	*			trans	45	92.9	177.2	-70.8	-27	0	0	0	118.6
287	V	27.9	Very low	27.3	Very low	148 Å²	148	140.3 Å²	140.3	90%	0.897	78%	0.777	S	S	*	*				-168.9	143.3	126.5	137.9	0	0	0	0	112.7
288	S	24.6	Very low	27.2	Very low	87 Å²	87	144.7 Å²	144.7	61%	0.608	78%	0.783	S	S	*	*			trans	-27.5	121.8	-178.3	-165	0	0	0	0	118.8	N290	S288-N290 PolarHBondContact O-N 3.12Å; S288-N290 PolarHBondContact OG-ND2 3.18Å; S288-N290 VanDerWaalsContact OG-ND2 3.12Å
289	M	24.6	Very low	26.9	Very low	190 Å²	190	145.9 Å²	145.9	94%	0.936	79%	0.791	S	S	*	*	S	Bend	trans	-69.7	66.6	163.6	-79.2	-78.9	-156	0	0	112.3
290	N	24.7	Very low	26.8	Very low	140 Å²	140	142.3 Å²	142.3	75%	0.749	79%	0.789	S	S	*	*			trans	-147.4	88.9	175.4	-77.9	-74.8	0	0	0	112.2	S288	S288-N290 PolarHBondContact O-N 3.12Å; S288-N290 PolarHBondContact OG-ND2 3.18Å; S288-N290 VanDerWaalsContact OG-ND2 3.12Å
291	S	24.6	Very low	26.6	Very low	112 Å²	112	146.3 Å²	146.3	78%	0.783	80%	0.799	S	S	*	*			trans	-146.9	121.8	162.6	-171.8	0	0	0	0	110.4	V293	S291-V293 PolarHBondContact O-N 2.96Å
292	P	25.2	Very low	26.5	Very low	113 Å²	113	144.4 Å²	144.4	73%	0.734	80%	0.8	S	S	*	*			trans	-78.2	121.9	179	30.8	-32.2	0	0	0	110.6	H294	P292-H294 PolarHBondContact O-N 2.94Å
293	V	26.7	Very low	26.2	Very low	145 Å²	145	142 Å²	142	88%	0.879	79%	0.793	S	S	*	*			trans	-64.3	119.7	165.7	178	0	0	0	0	107.9	S291 N295	S291-V293 PolarHBondContact O-N 2.96Å; V293-N295 PolarHBondContact O-N 3.47Å; V293-N295 VanDerWaalsContact O-N 3.12Å
294	H	25.9	Very low	25.9	Very low	175 Å²	175	141.5 Å²	141.5	81%	0.81	80%	0.796	S	S	*	*			trans	-63.9	114	-174.2	-115	-74.5	0	0	0	111.4	P292	P292-H294 PolarHBondContact O-N 2.94Å
295	N	25.6	Very low	25.9	Very low	129 Å²	129	141.1 Å²	141.1	69%	0.69	79%	0.793	S	S	*	*			trans	-62.1	134.4	157.7	-120.9	-10.1	0	0	0	107.8	V293 T297	V293-N295 PolarHBondContact O-N 3.47Å; V293-N295 VanDerWaalsContact O-N 3.12Å; N295-T297 PolarHBondContact O-N 3.11Å
296	P	28.4	Very low	25.9	Very low	111 Å²	111	140 Å²	140	72%	0.721	79%	0.791	S	S	*	*			trans	-76.3	68.6	174.8	32.3	-34.9	0	0	0	110	W298	P296-W298 PolarHBondContact O-N 2.95Å
297	T	25.7	Very low	25.8	Very low	118 Å²	118	138.7 Å²	138.7	72%	0.724	78%	0.784	S	S	*	*			trans	-58.1	109	173.3	-56.8	0	0	0	0	108.9	N295 S299	N295-T297 PolarHBondContact O-N 3.11Å; T297-S299 PolarHBondContact O-N 3.49Å
298	W	29.7	Very low	25.6	Very low	230 Å²	230	141.1 Å²	141.1	87%	0.871	78%	0.783	S	S	*	*			trans	-61.1	109	172.3	-92.7	62.5	0	0	0	109	P296 G300	P296-W298 PolarHBondContact O-N 2.95Å; W298-G300 PolarHBondContact O-N 3.26Å
299	S	25.3	Very low	25.8	Very low	119 Å²	119	142.5 Å²	142.5	83%	0.832	79%	0.79	S	S	*	*			trans	-75.1	70.5	-177.3	59.5	0	0	0	0	111	T297	T297-S299 PolarHBondContact O-N 3.49Å
300	G	25.1	Very low	25.9	Very low	70 Å²	70	140.5 Å²	140.5	72%	0.722	79%	0.788	S	S	*	*			trans	-113.4	28.1	-177.4	0	0	0	0	0	114.1	W298	W298-G300 PolarHBondContact O-N 3.26Å
301	Q	26.5	Very low	25.9	Very low	194 Å²	194	140.8 Å²	140.8	91%	0.907	79%	0.785	S	S	*	*	S	Bend	trans	-137.5	153.3	175.2	-103.9	176.9	-8.2	0	0	112.4
302	T	26.2	Very low	25.9	Very low	136 Å²	136	140.7 Å²	140.7	83%	0.834	78%	0.782	S	S	*	*			trans	-85.6	160	-163.8	49.7	0	0	0	0	114.4
303	N	22.8	Very low	26	Very low	143 Å²	143	141.3 Å²	141.3	77%	0.765	79%	0.785	S	S	*	*			trans	-46.3	156.5	179.9	-55	-23.4	0	0	0	116
304	N	24.6	Very low	25.9	Very low	148 Å²	148	143.9 Å²	143.9	79%	0.791	78%	0.781	S	S	*	*			trans	76.6	138.1	169.3	-52.2	-25.1	0	0	0	114.1
305	I	27.9	Very low	26	Very low	161 Å²	161	142.4 Å²	142.4	83%	0.826	78%	0.784	S	S	*	*			cis	-145.8	178.6	17.6	-122.4	148	0	0	0	112
306	T	25.1	Very low	25.9	Very low	109 Å²	109	142 Å²	142	67%	0.669	79%	0.792	S	S	*	*			trans	-84.1	153	-163.5	54.7	0	0	0	0	118.8
307	N	24.2	Very low	25.7	Very low	135 Å²	135	141.9 Å²	141.9	72%	0.722	79%	0.793	S	S	*	*			trans	89	142.3	136.5	-74.5	-7.1	0	0	0	124.3
308	F	25	Very low	25.8	Very low	198 Å²	198	141.4 Å²	141.4	87%	0.868	80%	0.795	S	S	*	*			trans	79	128.2	163.1	-71.5	-68.2	0	0	0	121.1
309	P	27.6	Very low	25.4	Very low	116 Å²	116	142.1 Å²	142.1	75%	0.753	80%	0.799	S	S	*	*			trans	-107.5	155.5	178.8	40.3	-32.8	0	0	0	114.2
310	V	27.2	Very low	25.4	Very low	148 Å²	148	141.8 Å²	141.8	90%	0.897	80%	0.797	S	S	*	*			trans	-142.1	136.6	159.9	-178.5	0	0	0	0	108.9
311	Q	24.7	Very low	25.6	Very low	146 Å²	146	143.5 Å²	143.5	68%	0.682	80%	0.798	S	S	*	*			trans	-115.9	133.5	-176.6	179.9	-175.7	29	0	0	111.5
312	P	25.5	Very low	25.8	Very low	111 Å²	111	140.1 Å²	140.1	72%	0.721	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-97.2	157.1	158.4	0.9	20	0	0	0	111.9
313	P	26.9	Very low	26.3	Very low	125 Å²	125	137 Å²	137	81%	0.812	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-88.7	163.2	-163.7	35	-37.6	0	0	0	116
314	Y	24.8	Very low	26.8	Very low	200 Å²	200	135.2 Å²	135.2	78%	0.784	76%	0.758	S	S	*	*	P	Polyproline II helix	trans	-71.6	152.6	178.4	-55.2	-88.8	0	0	0	114.7
315	T	27	Very low	27.3	Very low	144 Å²	144	129.1 Å²	129.1	88%	0.883	73%	0.727	S	S	*	*			trans	-134.2	150.9	142	53.3	0	0	0	0	109.8
316	S	23.9	Very low	27.7	Very low	121 Å²	121	123.3 Å²	123.3	85%	0.846	70%	0.703	S	S	*	*			trans	-98.7	136.3	-162.2	-45.2	0	0	0	0	114.1
317	S	24	Very low	28.3	Very low	107 Å²	107	121.1 Å²	121.1	75%	0.748	69%	0.689	S	S	*	*			trans	-165.8	165.8	145.1	66.8	0	0	0	0	112.4
318	S	27.3	Very low	28.8	Very low	108 Å²	108	117.2 Å²	117.2	76%	0.755	67%	0.668	S	S	*	*			trans	70	89.7	157.7	-50.3	0	0	0	0	118.2
319	Y	22.2	Very low	29.5	Very low	245 Å²	245	109 Å²	109	96%	0.961	63%	0.634	S	S	*	*			trans	-58.3	139.3	151.4	-78.1	-107.1	0	0	0	109.7
320	S	25.2	Very low	29.8	Very low	113 Å²	113	108.1 Å²	108.1	79%	0.79	62%	0.623	S	S	*	*			trans	-135.8	133.8	174.1	-173	0	0	0	0	110.2
321	S	28.9	Very low	30.2	Very low	106 Å²	106	103.1 Å²	103.1	74%	0.741	59%	0.591	S	S	*	*			trans	-72.6	144.1	174.5	50.8	0	0	0	0	110.6	N323	S321-N323 PolarHBondContact O-N 3.3Å
322	V	31.5	Very low	30.7	Very low	122 Å²	122	101.8 Å²	101.8	74%	0.739	58%	0.583	S	S	*	*			trans	-59.1	108.7	178.9	-179.7	0	0	0	0	109.6	L324 V327	V322-L324 PolarHBondContact O-N 2.91Å; V322-V327 HydrophobicContact CG1-CG2 3.98Å
323	N	36.7	Very low	31.3	Very low	71 Å²	71	101.3 Å²	101.3	38%	0.38	57%	0.571	S	S	.	*			trans	-71.8	96.6	179	-178.2	-12	0	0	0	109.4	S321 S325 A326 V327	S321-N323 PolarHBondContact O-N 3.3Å; N323-S325 PolarHBondContact O-N 3.4Å; N323-S325 WeakPolarHBondContact OD1-CB 3.36Å; N323-S325 PolarHBondContact OD1-N 3.28Å; N323-A326 HydrophobicContact CB-CB 3.84Å; N323-A326 WeakPolarHBondContact O-CA 3.37Å; N323-A326 WeakPolarHBondContact O-CB 3.4Å; N323-A326 PolarHBondContact O-N 3.47Å; N323-A326 PolarHBondContact OD1-N 3.49Å; N323-A326 VanDerWaalsContact OD1-N 3.12Å; N323-V327 PolarHBondContact O-N 2.88Å
324	L	31.8	Very low	31.6	Very low	106 Å²	106	98.1 Å²	98.1	56%	0.555	55%	0.552	S	S	*	*	H	α-helix	trans	-57.5	-30.9	-179.2	-158.2	78	0	0	0	112.5	M269 V322 L328	M269-L324 HydrophobicContact SD-CD1 4.37Å; V322-L324 PolarHBondContact O-N 2.91Å; L324-L328 HydrophobicContact CG-CD1 4.49Å; L324-L328 WeakPolarHBondContact O-CB 3.41Å; L324-L328 VanDerWaalsContact O-CG 3.3Å; L324-L328 WeakPolarHBondContact O-CG 3.4Å; L324-L328 PolarHBondContact O-N 2.95Å
325	S	36.1	Very low	32	Very low	20 Å²	20	92.4 Å²	92.4	14%	0.14	54%	0.535	C	S	.	.	H	α-helix	trans	-73.7	-32.3	176.2	-140.6	0	0	0	0	111.7	I101 T103 N323 T329	I101-S325 PolarHBondContact O-OG 3.45Å; T103-S325 PolarHBondContact N-OG 3Å; N323-S325 PolarHBondContact O-N 3.4Å; N323-S325 WeakPolarHBondContact OD1-CB 3.36Å; N323-S325 PolarHBondContact OD1-N 3.28Å; S325-T329 WeakPolarHBondContact O-CB 3.47Å; S325-T329 PolarHBondContact O-N 3.33Å; S325-T329 PolarHBondContact O-OG1 2.92Å
326	A	37	Very low	32.2	Very low	38 Å²	38	89.4 Å²	89.4	31%	0.314	51%	0.514	S	S	.	.	H	α-helix	trans	-67.2	-50.1	171.2	0	0	0	0	0	110.7	N323 L328 T329 D330	N323-A326 HydrophobicContact CB-CB 3.84Å; N323-A326 WeakPolarHBondContact O-CA 3.37Å; N323-A326 WeakPolarHBondContact O-CB 3.4Å; N323-A326 PolarHBondContact O-N 3.47Å; N323-A326 PolarHBondContact OD1-N 3.49Å; N323-A326 VanDerWaalsContact OD1-N 3.12Å; A326-L328 VanDerWaalsContact C-N 3.34Å; A326-L328 PolarHBondContact O-N 3.41Å; A326-T329 CarbonylContact O-C 3.54Å; A326-T329 WeakPolarHBondContact O-CA 3.39Å; A326-T329 WeakPolarHBondContact O-CB 3.46Å; A326-T329 PolarHBondContact O-N 2.86Å; A326-D330 PolarHBondContact O-N 3.15Å
327	V	36.4	Very low	32.4	Very low	63 Å²	63	89.1 Å²	89.1	38%	0.382	50%	0.503	S	S	.	.	H	α-helix	trans	-58.8	-43.1	178.8	178.2	0	0	0	0	111.9	V322 N323 D330 I331	V322-V327 HydrophobicContact CG1-CG2 3.98Å; N323-V327 PolarHBondContact O-N 2.88Å; V327-D330 PolarHBondContact O-N 2.83Å; V327-I331 HydrophobicContact CG1-CD1 3.97Å; V327-I331 WeakPolarHBondContact O-CD1 3.44Å; V327-I331 VanDerWaalsContact O-CG1 3.25Å; V327-I331 WeakPolarHBondContact O-CG1 3.43Å; V327-I331 PolarHBondContact O-N 3.08Å
328	L	34.8	Very low	32.6	Very low	54 Å²	54	89.6 Å²	89.6	28%	0.283	50%	0.501	S	S	.	.	H	α-helix	trans	-65.5	-39.5	173.6	-72.7	169.8	0	0	0	112	L324 A326 I331 F332	L324-L328 HydrophobicContact CG-CD1 4.49Å; L324-L328 WeakPolarHBondContact O-CB 3.41Å; L324-L328 VanDerWaalsContact O-CG 3.3Å; L324-L328 WeakPolarHBondContact O-CG 3.4Å; L324-L328 PolarHBondContact O-N 2.95Å; A326-L328 VanDerWaalsContact C-N 3.34Å; A326-L328 PolarHBondContact O-N 3.41Å; L328-I331 PolarHBondContact O-N 2.89Å; L328-F332 WeakPolarHBondContact O-CD2 3.3Å; L328-F332 PolarHBondContact O-N 3.25Å
329	T	40.1	Very low	32.6	Very low	24 Å²	24	88.6 Å²	88.6	15%	0.147	49%	0.49	C	S	.	.	H	α-helix	trans	-64	-42.2	176	-63.7	0	0	0	0	111.4	I101 S325 A326 F332 Q333	I101-T329 HydrophobicContact CD1-CG2 4.3Å; S325-T329 WeakPolarHBondContact O-CB 3.47Å; S325-T329 PolarHBondContact O-N 3.33Å; S325-T329 PolarHBondContact O-OG1 2.92Å; A326-T329 CarbonylContact O-C 3.54Å; A326-T329 WeakPolarHBondContact O-CA 3.39Å; A326-T329 WeakPolarHBondContact O-CB 3.46Å; A326-T329 PolarHBondContact O-N 2.86Å; T329-F332 CarbonylContact O-C 3.42Å; T329-F332 PolarHBondContact O-N 3.07Å; T329-Q333 HydrophobicContact CG2-CG 4.27Å; T329-Q333 VanDerWaalsContact CG2-NE2 3.27Å; T329-Q333 WeakPolarHBondContact O-CB 3.29Å; T329-Q333 VanDerWaalsContact O-CG 3.32Å; T329-Q333 WeakPolarHBondContact O-CG 3.37Å; T329-Q333 PolarHBondContact O-N 3.33Å
330	D	34.7	Very low	32.9	Very low	98 Å²	98	79 Å²	79	52%	0.524	46%	0.458	S	S	.	.	H	α-helix	trans	-66.4	-35.9	176.2	-69.7	-25.1	0	0	0	111.8	A326 V327 Q333 S334	A326-D330 PolarHBondContact O-N 3.15Å; V327-D330 PolarHBondContact O-N 2.83Å; D330-Q333 PolarHBondContact O-N 3.49Å; D330-S334 WeakPolarHBondContact O-CB 3.5Å; D330-S334 PolarHBondContact O-N 2.7Å; D330-S334 PolarHBondContact O-OG 3.43Å
331	I	35.3	Very low	33	Very low	44 Å²	44	79 Å²	79	23%	0.226	45%	0.45	C	S	.	.	H	α-helix	trans	-66.3	-43.4	172.4	-70.3	163.2	0	0	0	110.6	L265 V327 L328 S334 N335	L265-I331 HydrophobicContact CD1-CD1 4.21Å; L265-I331 HydrophobicContact CD1-CG2 4.02Å; L265-I331 HydrophobicContact CD2-CD1 4.31Å; V327-I331 HydrophobicContact CG1-CD1 3.97Å; V327-I331 WeakPolarHBondContact O-CD1 3.44Å; V327-I331 VanDerWaalsContact O-CG1 3.25Å; V327-I331 WeakPolarHBondContact O-CG1 3.43Å; V327-I331 PolarHBondContact O-N 3.08Å; L328-I331 PolarHBondContact O-N 2.89Å; I331-S334 WeakPolarHBondContact CA-OG 3.32Å; I331-S334 PolarHBondContact O-OG 3.34Å; I331-S334 VanDerWaalsContact O-OG 3.11Å; I331-N335 WeakPolarHBondContact O-CB 3.27Å; I331-N335 PolarHBondContact O-N 3.18Å
332	F	34.8	Very low	33	Very low	117 Å²	117	80.1 Å²	80.1	51%	0.513	44%	0.443	S	S	.	.	H	α-helix	trans	-69.4	-32.6	175.2	-74.4	-59.7	0	0	0	113.1	L328 T329 N336	L328-F332 WeakPolarHBondContact O-CD2 3.3Å; L328-F332 PolarHBondContact O-N 3.25Å; T329-F332 CarbonylContact O-C 3.42Å; T329-F332 PolarHBondContact O-N 3.07Å; F332-N336 WeakPolarHBondContact O-CB 3.4Å; F332-N336 PolarHBondContact O-N 3.38Å; F332-N336 PolarHBondContact O-ND2 2.85Å
333	Q	37.5	Very low	32.9	Very low	101 Å²	101	80.8 Å²	80.8	47%	0.472	44%	0.438	S	S	.	.	H	α-helix	trans	-75.4	-42.8	175.6	-73.5	-171.8	34.1	0	0	112.1	T329 D330 N336 N337	T329-Q333 HydrophobicContact CG2-CG 4.27Å; T329-Q333 VanDerWaalsContact CG2-NE2 3.27Å; T329-Q333 WeakPolarHBondContact O-CB 3.29Å; T329-Q333 VanDerWaalsContact O-CG 3.32Å; T329-Q333 WeakPolarHBondContact O-CG 3.37Å; T329-Q333 PolarHBondContact O-N 3.33Å; D330-Q333 PolarHBondContact O-N 3.49Å; Q333-N336 CarbonylContact O-C 3.51Å; Q333-N336 WeakPolarHBondContact O-CA 3.4Å; Q333-N336 WeakPolarHBondContact O-CB 3.17Å; Q333-N336 PolarHBondContact O-N 3.27Å; Q333-N337 WeakPolarHBondContact O-CB 3.44Å; Q333-N337 VanDerWaalsContact O-CG 3.25Å; Q333-N337 PolarHBondContact O-N 3.15Å; Q333-N337 PolarHBondContact O-ND2 3.24Å
334	S	32.6	Very low	32.7	Very low	59 Å²	59	82 Å²	82	41%	0.413	44%	0.444	S	S	.	.	H	α-helix	trans	-63.1	-43.4	176.1	56.5	0	0	0	0	111.9	D330 I331 N336 N337 V338	D330-S334 WeakPolarHBondContact O-CB 3.5Å; D330-S334 PolarHBondContact O-N 2.7Å; D330-S334 PolarHBondContact O-OG 3.43Å; I331-S334 WeakPolarHBondContact CA-OG 3.32Å; I331-S334 PolarHBondContact O-OG 3.34Å; I331-S334 VanDerWaalsContact O-OG 3.11Å; S334-N336 PolarHBondContact O-N 3.33Å; S334-N337 PolarHBondContact O-N 3.33Å; S334-V338 PolarHBondContact O-N 2.79Å
335	N	33.6	Very low	32.7	Very low	80 Å²	80	81 Å²	81	43%	0.428	44%	0.439	S	S	.	.	H	α-helix	trans	-69.4	-11.4	171.5	-77.5	-8.5	0	0	0	113.9	Q261 I331	Q261-N335 PolarHBondContact OE1-ND2 3.44Å; I331-N335 WeakPolarHBondContact O-CB 3.27Å; I331-N335 PolarHBondContact O-N 3.18Å
336	N	31.7	Very low	32.3	Very low	80 Å²	80	83.6 Å²	83.6	43%	0.428	45%	0.451	S	S	.	.	H	α-helix	trans	-92.8	-10.3	166.1	-89.4	-95.7	0	0	0	113.4	K24 F332 Q333 S334	K24-N336 PolarHBondContact NZ-OD1 3.12Å; F332-N336 WeakPolarHBondContact O-CB 3.4Å; F332-N336 PolarHBondContact O-N 3.38Å; F332-N336 PolarHBondContact O-ND2 2.85Å; Q333-N336 CarbonylContact O-C 3.51Å; Q333-N336 WeakPolarHBondContact O-CA 3.4Å; Q333-N336 WeakPolarHBondContact O-CB 3.17Å; Q333-N336 PolarHBondContact O-N 3.27Å; S334-N336 PolarHBondContact O-N 3.33Å
337	N	27.4	Very low	32.1	Very low	116 Å²	116	87.1 Å²	87.1	62%	0.62	46%	0.461	S	S	*	.	H	α-helix	trans	-100.4	-6.1	-176.4	-77.4	-26.2	0	0	0	113.9	Q333 S334 V339	Q333-N337 WeakPolarHBondContact O-CB 3.44Å; Q333-N337 VanDerWaalsContact O-CG 3.25Å; Q333-N337 PolarHBondContact O-N 3.15Å; Q333-N337 PolarHBondContact O-ND2 3.24Å; S334-N337 PolarHBondContact O-N 3.33Å; N337-V339 PolarHBondContact O-N 3.46Å
338	V	28.4	Very low	31.6	Very low	117 Å²	117	92.8 Å²	92.8	71%	0.709	48%	0.477	S	S	*	.	S	Bend	trans	-79.3	65.2	172.5	-171	0	0	0	0	111.2	S334	S334-V338 PolarHBondContact O-N 2.79Å
339	V	28.9	Very low	31.4	Very low	86 Å²	86	96 Å²	96	52%	0.521	49%	0.488	S	S	.	.	S	Bend	trans	170.8	107	150.1	150.7	0	0	0	0	102.2	N337 N341 L344	N337-V339 PolarHBondContact O-N 3.46Å; V339-N341 PolarHBondContact O-N 3.01Å; V339-N341 VanDerWaalsContact O-N 3.11Å; V339-L344 HydrophobicContact CG1-CD1 3.86Å
340	S	27.2	Very low	31	Very low	43 Å²	43	104.3 Å²	104.3	30%	0.301	52%	0.517	S	S	.	.			trans	-66.2	120	176.7	86.3	0	0	0	0	107.6	Q342 E343 L344	S340-Q342 PolarHBondContact O-N 3.48Å; S340-Q342 VanDerWaalsContact O-N 3.08Å; S340-E343 WeakPolarHBondContact CB-OE2 3.37Å; S340-E343 PolarHBondContact O-N 2.99Å; S340-E343 WeakPolarHBondContact OG-CB 3.37Å; S340-E343 VanDerWaalsContact OG-CG 3.27Å; S340-E343 WeakPolarHBondContact OG-CG 3.47Å; S340-E343 PolarHBondContact OG-N 2.88Å; S340-E343 PolarHBondContact OG-OE2 3.31Å; S340-L344 PolarHBondContact O-N 3.49Å
341	N	28	Very low	30.7	Very low	115 Å²	115	105.7 Å²	105.7	62%	0.615	53%	0.529	S	S	*	.	H	α-helix	trans	-59	-22.4	173.6	-78.7	-74.6	0	0	0	110.4	V339 I345	V339-N341 PolarHBondContact O-N 3.01Å; V339-N341 VanDerWaalsContact O-N 3.11Å; N341-I345 WeakPolarHBondContact O-CB 3.47Å; N341-I345 WeakPolarHBondContact O-CD1 3.49Å; N341-I345 WeakPolarHBondContact O-CG1 3.24Å; N341-I345 PolarHBondContact O-N 3.28Å
342	Q	29.1	Very low	30.3	Very low	129 Å²	129	107.8 Å²	107.8	60%	0.603	55%	0.547	S	S	*	.	H	α-helix	trans	-56.6	-48.6	169.6	-129.1	69.6	-2.4	0	0	113.6	S340 N346	S340-Q342 PolarHBondContact O-N 3.48Å; S340-Q342 VanDerWaalsContact O-N 3.08Å; Q342-N346 VanDerWaalsContact O-CB 3.27Å; Q342-N346 WeakPolarHBondContact O-CB 3.44Å; Q342-N346 PolarHBondContact O-N 2.97Å; Q342-N346 PolarHBondContact O-ND2 2.97Å; Q342-N346 PolarHBondContact O-OD1 3.45Å
343	E	29.9	Very low	29.9	Very low	135 Å²	135	106 Å²	106	63%	0.631	56%	0.562	S	S	*	*	H	α-helix	trans	-71.1	-43.7	-177.8	-77.9	163	119.2	0	0	112.1	S340 I345 N346 E347	S340-E343 WeakPolarHBondContact CB-OE2 3.37Å; S340-E343 PolarHBondContact O-N 2.99Å; S340-E343 WeakPolarHBondContact OG-CB 3.37Å; S340-E343 VanDerWaalsContact OG-CG 3.27Å; S340-E343 WeakPolarHBondContact OG-CG 3.47Å; S340-E343 PolarHBondContact OG-N 2.88Å; S340-E343 PolarHBondContact OG-OE2 3.31Å; E343-I345 VanDerWaalsContact C-N 3.29Å; E343-I345 PolarHBondContact O-N 2.95Å; E343-N346 CarbonylContact O-C 3.59Å; E343-N346 PolarHBondContact O-N 3.4Å; E343-E347 PolarHBondContact O-N 3.06Å
344	L	30.8	Very low	29.5	Very low	97 Å²	97	107.8 Å²	107.8	51%	0.508	58%	0.579	S	S	.	*	H	α-helix	trans	-66.4	-32.6	177.5	-126.7	158.2	0	0	0	111.8	V339 S340 Y348	V339-L344 HydrophobicContact CG1-CD1 3.86Å; S340-L344 PolarHBondContact O-N 3.49Å; L344-Y348 HydrophobicContact CD2-CD2 4.28Å; L344-Y348 HydrophobicContact CD2-CE2 4.32Å; L344-Y348 PolarHBondContact O-N 3.43Å
345	I	31.4	Very low	29.1	Very low	85 Å²	85	109.5 Å²	109.5	44%	0.436	59%	0.591	S	S	.	*	H	α-helix	trans	-70.6	-34.6	168.7	-72.6	169.3	0	0	0	111.9	N341 E343 Y348 K349	N341-I345 WeakPolarHBondContact O-CB 3.47Å; N341-I345 WeakPolarHBondContact O-CD1 3.49Å; N341-I345 WeakPolarHBondContact O-CG1 3.24Å; N341-I345 PolarHBondContact O-N 3.28Å; E343-I345 VanDerWaalsContact C-N 3.29Å; E343-I345 PolarHBondContact O-N 2.95Å; I345-Y348 PolarHBondContact O-N 3.37Å; I345-K349 HydrophobicContact CG2-CD 3.98Å; I345-K349 HydrophobicContact CG2-CG 4.31Å; I345-K349 WeakPolarHBondContact O-CB 3.32Å; I345-K349 VanDerWaalsContact O-CG 3.27Å; I345-K349 WeakPolarHBondContact O-CG 3.38Å; I345-K349 PolarHBondContact O-N 3.41Å
346	N	29.1	Very low	28.7	Very low	74 Å²	74	114.1 Å²	114.1	40%	0.396	61%	0.608	S	S	.	*	H	α-helix	trans	-74.4	-33	179.6	-73.2	-19.9	0	0	0	112.7	Q342 E343 K349 R350	Q342-N346 VanDerWaalsContact O-CB 3.27Å; Q342-N346 WeakPolarHBondContact O-CB 3.44Å; Q342-N346 PolarHBondContact O-N 2.97Å; Q342-N346 PolarHBondContact O-ND2 2.97Å; Q342-N346 PolarHBondContact O-OD1 3.45Å; E343-N346 CarbonylContact O-C 3.59Å; E343-N346 PolarHBondContact O-N 3.4Å; N346-K349 PolarHBondContact O-N 2.71Å; N346-K349 WeakPolarHBondContact OD1-CD 3.26Å; N346-K349 PolarHBondContact OD1-NZ 2.99Å; N346-R350 PolarHBondContact O-N 3.05Å
347	E	31.4	Very low	28.5	Very low	113 Å²	113	118.3 Å²	118.3	53%	0.528	63%	0.625	S	S	.	*	H	α-helix	trans	-62.8	-47	169.2	-154.7	75.8	-92.1	0	0	110.4	E343 K349 R350	E343-E347 PolarHBondContact O-N 3.06Å; E347-K349 PolarHBondContact O-N 3.49Å; E347-R350 PolarHBondContact O-N 2.98Å; E347-R350 IonicContact OE1-CZ 2.65Å; E347-R350 IonicContact OE1-NE 3.66Å; E347-R350 IonicContact OE1-NH2 3.83Å; E347-R350 PolarHBondContact OE1-NH2 3.47Å
348	Y	27.8	Very low	28.3	Very low	181 Å²	181	121 Å²	121	71%	0.71	63%	0.633	S	S	*	*	H	α-helix	trans	-65.2	-35	175.6	-97.2	-95.4	0	0	0	113.8	L344 I345 R350 V351	L344-Y348 HydrophobicContact CD2-CD2 4.28Å; L344-Y348 HydrophobicContact CD2-CE2 4.32Å; L344-Y348 PolarHBondContact O-N 3.43Å; I345-Y348 PolarHBondContact O-N 3.37Å; Y348-R350 PolarHBondContact O-N 2.93Å; Y348-V351 PolarHBondContact O-N 3.15Å
349	K	30.5	Very low	28.1	Very low	121 Å²	121	121 Å²	121	53%	0.526	64%	0.639	S	S	.	*	H	α-helix	trans	-61.4	-27.6	176.1	-85.5	165.9	174.7	162.9	0	113.2	I345 N346 E347 V351	I345-K349 HydrophobicContact CG2-CD 3.98Å; I345-K349 HydrophobicContact CG2-CG 4.31Å; I345-K349 WeakPolarHBondContact O-CB 3.32Å; I345-K349 VanDerWaalsContact O-CG 3.27Å; I345-K349 WeakPolarHBondContact O-CG 3.38Å; I345-K349 PolarHBondContact O-N 3.41Å; N346-K349 PolarHBondContact O-N 2.71Å; N346-K349 WeakPolarHBondContact OD1-CD 3.26Å; N346-K349 PolarHBondContact OD1-NZ 2.99Å; E347-K349 PolarHBondContact O-N 3.49Å; K349-V351 PolarHBondContact O-N 3.29Å
350	R	29.9	Very low	27.9	Very low	200 Å²	200	123.4 Å²	123.4	76%	0.755	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.5	-6.8	175.3	-69.4	-160.9	-74.4	-165.5	-3.2	113.9	N346 E347 Y348	N346-R350 PolarHBondContact O-N 3.05Å; E347-R350 PolarHBondContact O-N 2.98Å; E347-R350 IonicContact OE1-CZ 2.65Å; E347-R350 IonicContact OE1-NE 3.66Å; E347-R350 IonicContact OE1-NH2 3.83Å; E347-R350 PolarHBondContact OE1-NH2 3.47Å; Y348-R350 PolarHBondContact O-N 2.93Å
351	V	30.3	Very low	27.8	Very low	126 Å²	126	130.5 Å²	130.5	76%	0.764	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.2	-12.8	-178.6	-171.9	0	0	0	0	113.1	Y348 K349	Y348-V351 PolarHBondContact O-N 3.15Å; K349-V351 PolarHBondContact O-N 3.29Å
352	S	27	Very low	27.7	Very low	88 Å²	88	132.3 Å²	132.3	62%	0.615	69%	0.686	S	S	*	*			trans	-151.5	98.7	178.2	-176.4	0	0	0	0	113.1	V354	S352-V354 PolarHBondContact O-N 2.94Å
353	G	24.8	Very low	27.5	Very low	79 Å²	79	132 Å²	132	81%	0.814	70%	0.699	S	S	*	*			trans	-83.7	98.1	-179.1	0	0	0	0	0	114.7
354	V	29.8	Very low	27.3	Very low	139 Å²	139	128.9 Å²	128.9	84%	0.842	70%	0.702	S	S	*	*			trans	-142.9	153.4	157.7	-164.3	0	0	0	0	107.8	S352	S352-V354 PolarHBondContact O-N 2.94Å
355	S	23.7	Very low	27.1	Very low	95 Å²	95	129.2 Å²	129.2	66%	0.664	71%	0.708	S	S	*	*			trans	-136	171.9	-167	56.7	0	0	0	0	113.8
356	F	25.7	Very low	26.8	Very low	178 Å²	178	130.8 Å²	130.8	78%	0.781	71%	0.71	S	S	*	*			trans	69.4	143.7	174.5	-78.6	-103.3	0	0	0	116.1
357	E	27.1	Very low	26.9	Very low	167 Å²	167	133.7 Å²	133.7	78%	0.78	73%	0.73	S	S	*	*			cis	-154.2	168.5	-10	-158	167	-150	0	0	109.7
358	Q	24.1	Very low	26.6	Very low	172 Å²	172	133.1 Å²	133.1	80%	0.804	74%	0.738	S	S	*	*			trans	-114.7	130.2	-179.7	-176.3	179.4	9.5	0	0	111.1
359	S	24.6	Very low	26.6	Very low	118 Å²	118	129.5 Å²	129.5	83%	0.825	73%	0.728	S	S	*	*			trans	-153.5	146.9	165.8	46.1	0	0	0	0	112
360	N	23.3	Very low	26.6	Very low	136 Å²	136	126.3 Å²	126.3	73%	0.727	72%	0.721	S	S	*	*			trans	-91.4	150.1	-165.9	-55.1	-38.5	0	0	0	112.8
361	Q	25.5	Very low	26.6	Very low	192 Å²	192	120 Å²	120	90%	0.897	70%	0.7	S	S	*	*				-172	155.3	109.4	-101	172.6	53	0	0	113
362	L	25.5	Very low	26.6	Very low	154 Å²	154	116.6 Å²	116.6	81%	0.806	68%	0.684	S	S	*	*			trans	-81.2	156.3	-172.2	-54.3	85.4	0	0	0	112.5
363	S	25	Very low	26.8	Very low	123 Å²	123	117.5 Å²	117.5	86%	0.86	68%	0.679	S	S	*	*				167.1	132.6	107.7	-73.1	0	0	0	0	114.6
364	G	25.7	Very low	26.9	Very low	68 Å²	68	120.1 Å²	120.1	70%	0.701	68%	0.68	S	S	*	*				107.8	75	125.8	0	0	0	0	0	121.4
365	T	27	Very low	26.9	Very low	104 Å²	104	119.2 Å²	119.2	64%	0.638	68%	0.679	S	S	*	*				70	88.2	127.1	-43.3	0	0	0	0	121	F534	T365-F534 HydrophobicContact CG2-CE2 4.46Å; T365-F534 HydrophobicContact CG2-CZ 4.3Å
366	Y	26.1	Very low	27.1	Very low	119 Å²	119	122.6 Å²	122.6	47%	0.467	69%	0.689	S	S	.	*				42.9	101.5	112.7	-77.9	-97.3	0	0	0	121.3	N23	N23-Y366 WeakPolarHBondContact OD1-CE1 3.4Å; N23-Y366 PolarHBondContact OD1-OH 3.37Å
367	V	29.9	Very low	27.2	Very low	135 Å²	135	123.1 Å²	123.1	82%	0.818	69%	0.694	S	S	*	*				65.9	151.2	98	173.6	0	0	0	0	120.7
368	S	25.5	Very low	27.3	Very low	101 Å²	101	122.5 Å²	122.5	71%	0.706	70%	0.695	S	S	*	*			trans	-114.5	155.5	-164.8	-66.5	0	0	0	0	115.5
369	E	28.3	Very low	27.5	Very low	104 Å²	104	120.5 Å²	120.5	49%	0.486	70%	0.697	S	S	.	*			trans	58.4	-172.9	144.1	-65.8	-163.9	121.9	0	0	119.7	Q650 R653	E369-Q650 PolarHBondContact OE1-NE2 3.09Å; E369-R653 IonicContact OE2-NH1 3.93Å
370	S	30	Very low	27.9	Very low	55 Å²	55	120.5 Å²	120.5	39%	0.385	69%	0.692	S	S	.	*			trans	-170.2	159.1	-149.4	66.3	0	0	0	0	115.4
371	Q	30.6	Very low	28.1	Very low	68 Å²	68	120 Å²	120	32%	0.318	69%	0.689	S	S	.	*			trans	73.2	120.9	154.3	-61.2	175.8	-19.6	0	0	121.5	K593	Q371-K593 VanDerWaalsContact OE1-CE 3.3Å
372	A	29.8	Very low	28.3	Very low	53 Å²	53	118.1 Å²	118.1	44%	0.438	69%	0.685	S	S	.	*				-157.6	101.1	126.8	0	0	0	0	0	108.9	V654	A372-V654 HydrophobicContact CB-CG1 4.31Å; A372-V654 HydrophobicContact CB-CG2 4.35Å
373	Q	30.3	Very low	28.4	Very low	108 Å²	108	116.8 Å²	116.8	51%	0.505	68%	0.683	S	S	.	*				50	120.9	78.2	-101.9	177.9	-41.8	0	0	115.6	K593	Q373-K593 VanDerWaalsContact OE1-CE 3.28Å
374	T	28.2	Very low	28.7	Very low	134 Å²	134	116 Å²	116	82%	0.822	68%	0.677	S	S	*	*			trans	-120.2	144.9	164.5	31	0	0	0	0	110.2
375	S	29.6	Very low	28.8	Very low	120 Å²	120	118.8 Å²	118.8	84%	0.839	69%	0.686	S	S	*	*			trans	-85.4	154.4	170.7	39.3	0	0	0	0	111.3
376	L	26.7	Very low	29	Very low	166 Å²	166	122.8 Å²	122.8	87%	0.869	70%	0.698	S	S	*	*			trans	-89.9	128.8	174.9	-76.1	164.2	0	0	0	110.5
377	Q	27.9	Very low	29.2	Very low	189 Å²	189	126.5 Å²	126.5	88%	0.883	72%	0.716	S	S	*	*			trans	-136.8	153.7	159.1	-157.8	162.8	4.3	0	0	108
378	L	28.9	Very low	29.4	Very low	153 Å²	153	128 Å²	128	80%	0.801	72%	0.72	S	S	*	*			trans	-67.6	149.4	-161.7	-68.5	90.4	0	0	0	113.2	V380	L378-V380 PolarHBondContact O-N 3.43Å; L378-V380 VanDerWaalsContact O-N 3.12Å
379	P	30	Very low	29.6	Very low	131 Å²	131	132.1 Å²	132.1	85%	0.851	73%	0.725	S	S	*	*			trans	-71	105.9	172.5	30.1	-33.3	0	0	0	110.2
380	V	31.6	Very low	29.6	Very low	118 Å²	118	133.1 Å²	133.1	72%	0.715	74%	0.738	S	S	*	*			trans	-71.8	129.4	164	179.4	0	0	0	0	108.2	L378 L382	L378-V380 PolarHBondContact O-N 3.43Å; L378-V380 VanDerWaalsContact O-N 3.12Å; V380-L382 HydrophobicContact CG1-CD2 4.23Å; V380-L382 HydrophobicContact CG1-CG 4.26Å
381	D	28.3	Very low	29.7	Very low	124 Å²	124	135.4 Å²	135.4	66%	0.663	75%	0.754	S	S	*	*			trans	-75.9	131.5	173.9	-156.3	-31.5	0	0	0	110	T383	D381-T383 PolarHBondContact OD1-N 3.32Å; D381-T383 PolarHBondContact OD1-OG1 3.01Å
382	L	29	Very low	29.4	Very low	154 Å²	154	139.9 Å²	139.9	81%	0.806	78%	0.78	S	S	*	*			trans	-134.8	54.6	-176.2	-69.7	177	0	0	0	109.9	V380	V380-L382 HydrophobicContact CG1-CD2 4.23Å; V380-L382 HydrophobicContact CG1-CG 4.26Å
383	T	27.6	Very low	29.4	Very low	125 Å²	125	141.9 Å²	141.9	77%	0.767	79%	0.789	S	S	*	*			trans	-115.1	22.4	178.6	53	0	0	0	0	114	D381	D381-T383 PolarHBondContact OD1-N 3.32Å; D381-T383 PolarHBondContact OD1-OG1 3.01Å
384	S	31.9	Very low	29.4	Very low	107 Å²	107	145.3 Å²	145.3	75%	0.748	80%	0.802	S	S	*	*			trans	-130.1	107.2	168.9	50.5	0	0	0	0	111.5	E386	S384-E386 PolarHBondContact O-N 3.28Å
385	S	28	Very low	29.3	Very low	127 Å²	127	146.2 Å²	146.2	89%	0.888	80%	0.801	S	S	*	*			trans	-96.4	63.2	-179.6	64.5	0	0	0	0	111.9
386	E	31.6	Very low	29.4	Very low	188 Å²	188	147.2 Å²	147.2	88%	0.879	80%	0.796	S	S	*	*			trans	-109	145	174.4	-67.3	-141	113.6	0	0	112.7	S384	S384-E386 PolarHBondContact O-N 3.28Å
387	K	30.3	Very low	29.5	Very low	197 Å²	197	144.9 Å²	144.9	86%	0.857	78%	0.784	S	S	*	*			trans	-88.2	126.9	-177.6	-54.8	152.8	-175.3	165.6	0	107.7
388	N	33	Very low	29.5	Very low	167 Å²	167	143 Å²	143	89%	0.893	78%	0.78	S	S	*	*			trans	-168.7	160.8	133.4	-98.7	-34	0	0	0	114.5
389	K	30.2	Very low	29.5	Very low	186 Å²	186	141.4 Å²	141.4	81%	0.809	78%	0.778	S	S	*	*			trans	-76.4	154.9	-171.7	-62.1	164.8	160.9	175.9	0	114.2
390	T	27.6	Very low	29.5	Very low	125 Å²	125	140.4 Å²	140.4	77%	0.767	77%	0.772	S	S	*	*			trans	91.1	145.5	145.3	-44	0	0	0	0	119.6
391	S	32.3	Very low	29.5	Very low	103 Å²	103	143.4 Å²	143.4	72%	0.72	78%	0.778	S	S	*	*			trans	72.8	117.8	158.4	39.6	0	0	0	0	120.8
392	D	24.6	Very low	29.7	Very low	162 Å²	162	142.6 Å²	142.6	87%	0.866	78%	0.777	S	S	*	*			trans	-65.6	145.6	154.8	-69.1	-68.7	0	0	0	111.8
393	P	29	Very low	29.6	Very low	96 Å²	96	143.8 Å²	143.8	62%	0.623	78%	0.778	S	S	*	*				-130.4	162.1	122.2	23.2	-4.5	0	0	0	111
394	F	30.8	Very low	29.8	Very low	179 Å²	179	142.7 Å²	142.7	79%	0.785	78%	0.782	S	S	*	*			cis	-142.5	147.5	38	-81.6	-97.3	0	0	0	114.3	L396	F394-L396 HydrophobicContact CD1-CD1 4.43Å
395	I	26.7	Very low	29.7	Very low	154 Å²	154	146.7 Å²	146.7	79%	0.79	79%	0.786	S	S	*	*			trans	-128.7	135.2	161.3	-67.9	169.8	0	0	0	107.9
396	L	32	Very low	30	Very low	141 Å²	141	146.6 Å²	146.6	74%	0.738	78%	0.78	S	S	*	*			trans	-140.6	109.5	156.3	-88.4	105.6	0	0	0	107	F394	F394-L396 HydrophobicContact CD1-CD1 4.43Å
397	N	29.3	Very low	30.2	Very low	116 Å²	116	145.2 Å²	145.2	62%	0.62	77%	0.773	S	S	*	*				85	91.3	88.7	-71.3	-6	0	0	0	112.2
398	L	26.1	Very low	30.4	Very low	151 Å²	151	143 Å²	143	79%	0.791	77%	0.771	S	S	*	*				92.1	164.8	97.8	-103.3	81.1	0	0	0	111.9
399	P	29.5	Very low	30.5	Very low	118 Å²	118	139.5 Å²	139.5	77%	0.766	76%	0.759	S	S	*	*			cis	-119.5	172.9	3.2	39.9	-25.5	0	0	0	115.4
400	P	29.6	Very low	30.8	Very low	111 Å²	111	136.2 Å²	136.2	72%	0.721	75%	0.75	S	S	*	*			trans	-101.6	168.7	-176.4	39.3	-35.4	0	0	0	114.9
401	H	32	Very low	31.3	Very low	180 Å²	180	138.2 Å²	138.2	83%	0.833	75%	0.749	S	S	*	*			trans	-147.1	113.7	171.3	-142	-96.9	0	0	0	115.3
402	V	31.9	Very low	31.5	Very low	107 Å²	107	137.9 Å²	137.9	65%	0.648	75%	0.746	S	S	*	*			trans	57	106.6	143.5	-177.5	0	0	0	0	121.9
403	E	27.9	Very low	32.1	Very low	179 Å²	179	137.5 Å²	137.5	84%	0.836	74%	0.744	S	S	*	*			trans	50.1	126.8	133.9	-57.3	-170.8	173.7	0	0	124.8
404	A	32	Very low	32.5	Very low	102 Å²	102	141 Å²	141	84%	0.843	75%	0.749	S	S	*	*				-154	151	123.3	0	0	0	0	0	111.9
405	K	29.4	Very low	32.8	Very low	191 Å²	191	138.7 Å²	138.7	83%	0.83	74%	0.741	S	S	*	*			trans	-72.7	164.7	179.5	-70.6	158.8	177.1	159.7	0	111.2
406	V	34	Very low	33.3	Very low	126 Å²	126	136.3 Å²	136.3	76%	0.764	73%	0.73	S	S	*	*				-165.5	150	62.2	164.6	0	0	0	0	112.2
407	H	36.3	Very low	33.4	Very low	159 Å²	159	136.5 Å²	136.5	74%	0.736	73%	0.727	S	S	*	*			trans	-6.9	154	154.4	-69.2	-94.5	0	0	0	120.4
408	N	35.1	Very low	33.6	Very low	150 Å²	150	136.2 Å²	136.2	80%	0.802	73%	0.725	S	S	*	*			cis	-153.1	179.1	34	-123.7	-13.9	0	0	0	114.8
409	S	34.9	Very low	33.9	Very low	93 Å²	93	139 Å²	139	65%	0.65	73%	0.727	S	S	*	*			trans	-117.7	-170.2	-165.9	66.3	0	0	0	0	116.4
410	D	35.6	Very low	34	Very low	117 Å²	117	136.7 Å²	136.7	63%	0.626	72%	0.718	S	S	*	*			trans	85.5	144	163.4	-69.9	33.2	0	0	0	117.5
411	K	38	Very low	33.9	Very low	168 Å²	168	136.2 Å²	136.2	73%	0.73	72%	0.717	S	S	*	*			cis	-158.4	149.9	11.6	-133.4	171.9	-168.8	87.6	0	114.1
412	S	37.6	Very low	33.8	Very low	96 Å²	96	134.1 Å²	134.1	67%	0.671	71%	0.712	S	S	*	*			trans	44.2	126.6	149.5	55.1	0	0	0	0	121.5
413	N	35.8	Very low	33.8	Very low	153 Å²	153	137.4 Å²	137.4	82%	0.818	72%	0.72	S	S	*	*			cis	87.1	116.7	46.9	-74.7	9.4	0	0	0	115.8
414	K	38.7	Very low	33.9	Very low	169 Å²	169	137.4 Å²	137.4	74%	0.735	72%	0.72	S	S	*	*				175.8	125.4	118.3	-96.3	-167.7	151.7	-176.9	0	110.9
415	E	37.2	Very low	34.2	Very low	131 Å²	131	137.3 Å²	137.3	61%	0.612	71%	0.711	S	S	*	*				72.9	141.9	82.9	-71.1	-175.5	-150.1	0	0	113.8
416	N	35.8	Very low	34.4	Very low	105 Å²	105	134.4 Å²	134.4	56%	0.561	70%	0.704	S	S	*	*			cis	-169.6	160.5	-4	-111.1	-10.7	0	0	0	112.8
417	H	34.9	Very low	34.3	Very low	144 Å²	144	138 Å²	138	67%	0.667	70%	0.704	S	S	*	*			trans	55.6	155.3	140.8	-64.2	-44.9	0	0	0	121.6
418	D	33.4	Very low	33.9	Very low	110 Å²	110	135.6 Å²	135.6	59%	0.588	70%	0.704	S	S	*	*			cis	-163.9	161.9	-9.8	-107.6	-12	0	0	0	113.5
419	Y	32	Very low	33.7	Very low	211 Å²	211	135.5 Å²	135.5	83%	0.827	70%	0.703	S	S	*	*			trans	36.9	156.3	142.4	-74.1	-120.9	0	0	0	122.9
420	A	31.3	Very low	33.5	Very low	69 Å²	69	138.5 Å²	138.5	57%	0.57	71%	0.711	S	S	*	*			cis	-176.7	169.5	-23.7	0	0	0	0	0	111.5
421	S	29.2	Very low	33.3	Very low	101 Å²	101	138.5 Å²	138.5	71%	0.706	72%	0.72	S	S	*	*			trans	68.1	137	143.7	51.1	0	0	0	0	123.2
422	N	28.1	Very low	32.9	Very low	136 Å²	136	137.8 Å²	137.8	73%	0.727	72%	0.72	S	S	*	*			trans	71	153.3	153	-61.8	18.4	0	0	0	118
423	E	33.8	Very low	32.8	Very low	176 Å²	176	141.9 Å²	141.9	82%	0.822	73%	0.726	S	S	*	*			cis	-145.3	-177.1	4.9	-135.9	144.9	-112.3	0	0	111.4
424	E	28.8	Very low	32.5	Very low	179 Å²	179	139 Å²	139	84%	0.836	72%	0.718	S	S	*	*			trans	-108.3	-146.8	-167.6	-154.5	-152.7	-160.3	0	0	115.3
425	P	39.1	Very low	32.2	Very low	99 Å²	99	138 Å²	138	64%	0.643	72%	0.715	S	S	*	*				-105.1	172.2	-119.3	39.5	-27.9	0	0	0	116.8
426	D	33.9	Very low	31.8	Very low	130 Å²	130	138 Å²	138	70%	0.695	72%	0.72	S	S	*	*			trans	-164.1	156.4	132.2	-135.1	-13.6	0	0	0	117.8
427	R	31.5	Very low	31.6	Very low	203 Å²	203	138 Å²	138	77%	0.766	73%	0.728	S	S	*	*			trans	39	120.7	150.5	-80.7	152.7	-153	-123.7	-4.4	127.2
428	C	27.1	Very low	31.2	Very low	107 Å²	107	142.5 Å²	142.5	72%	0.723	74%	0.739	S	S	*	*				44	117.6	107.8	-57.2	0	0	0	0	123.4
429	D	31.1	Very low	30.9	Very low	149 Å²	149	144.8 Å²	144.8	80%	0.797	75%	0.75	S	S	*	*				163.8	137.7	101.8	-88.1	-24.2	0	0	0	109.9
430	L	30.7	Very low	31.1	Very low	155 Å²	155	139.6 Å²	139.6	81%	0.812	74%	0.742	S	S	*	*			cis	100.6	106.9	26.1	-160.8	120.8	0	0	0	114.4
431	S	31	Very low	30.9	Very low	117 Å²	117	142.1 Å²	142.1	82%	0.818	75%	0.75	S	S	*	*			trans	153.8	165.5	152.6	51.7	0	0	0	0	113.1
432	Q	30.3	Very low	31.1	Very low	153 Å²	153	145.4 Å²	145.4	72%	0.715	76%	0.759	S	S	*	*				-168.8	163.3	-50.8	-147.4	-175	30.7	0	0	109.9
433	K	34.2	Very low	31.3	Very low	183 Å²	183	147.3 Å²	147.3	80%	0.796	76%	0.76	S	S	*	*			trans	70.3	162.3	165.1	-55.8	159.5	-175.4	171.8	0	116.3
434	S	30.8	Very low	31.3	Very low	93 Å²	93	142.4 Å²	142.4	65%	0.65	76%	0.757	S	S	*	*			cis	-164.8	178.1	-36.8	67.7	0	0	0	0	107.6
435	E	31.4	Very low	31.3	Very low	148 Å²	148	140.5 Å²	140.5	69%	0.692	75%	0.753	S	S	*	*			cis	-170.1	-179.7	7.2	-137.3	166.8	101.8	0	0	113.3
436	N	28.8	Very low	31	Very low	131 Å²	131	139.6 Å²	139.6	70%	0.701	76%	0.761	S	S	*	*			trans	17.1	136.1	143.9	-67.9	-26.4	0	0	0	120.6
437	S	31.7	Very low	30.6	Very low	105 Å²	105	141.9 Å²	141.9	73%	0.734	77%	0.768	S	S	*	*			cis	178.8	163.1	48.8	47.4	0	0	0	0	116.6
438	R	28.1	Very low	30.5	Very low	237 Å²	237	143.3 Å²	143.3	89%	0.894	78%	0.775	S	S	*	*			trans	73.2	111.6	145.6	-79.9	177	178.7	-175.2	-0.2	125.3
439	I	25.8	Very low	30.6	Very low	159 Å²	159	144 Å²	144	82%	0.815	78%	0.776	S	S	*	*			trans	-45.5	175	141.8	25.7	167.2	0	0	0	115.5
440	P	35.6	Very low	30.3	Very low	102 Å²	102	146.3 Å²	146.3	66%	0.662	78%	0.779	S	S	*	*			cis	-154	169.8	33.2	46.2	-24.7	0	0	0	122.6
441	T	28.4	Very low	30.4	Very low	122 Å²	122	144.7 Å²	144.7	75%	0.748	78%	0.781	S	S	*	*			trans	44.9	135.5	142.3	56.2	0	0	0	0	125.5
442	L	32.5	Very low	30	Very low	169 Å²	169	146.7 Å²	146.7	89%	0.885	78%	0.782	S	S	*	*				177.7	147.5	113.5	-92.2	159.9	0	0	0	108.2
443	K	32	Very low	30	Very low	176 Å²	176	144.1 Å²	144.1	77%	0.765	79%	0.787	S	S	*	*			cis	158.5	136.3	-30.3	-177.6	178.2	-177.6	-170.6	0	105.1	D445	K443-D445 VanDerWaalsContact CE-OD2 3.24Å; K443-D445 WeakPolarHBondContact CE-OD2 3.39Å
444	G	34.9	Very low	29.8	Very low	73 Å²	73	141.2 Å²	141.2	75%	0.753	79%	0.785	S	S	*	*			trans	169.1	103.4	178.3	0	0	0	0	0	112
445	D	28.2	Very low	29.6	Very low	139 Å²	139	144.6 Å²	144.6	74%	0.743	79%	0.791	S	S	*	*			trans	-105.9	163.9	-162.3	-46.2	-65	0	0	0	112.6	K443	K443-D445 VanDerWaalsContact CE-OD2 3.24Å; K443-D445 WeakPolarHBondContact CE-OD2 3.39Å
446	G	33	Very low	29.6	Very low	80 Å²	80	145.9 Å²	145.9	83%	0.825	80%	0.797	S	S	*	*			trans	173.6	76	178.2	0	0	0	0	0	115.6
447	E	25.6	Very low	29.4	Very low	179 Å²	179	146.3 Å²	146.3	84%	0.836	80%	0.799	S	S	*	*			trans	-85	159.8	175.2	-56.9	177.2	121.2	0	0	112.8
448	Y	29	Very low	29.2	Very low	233 Å²	233	150.3 Å²	150.3	91%	0.914	81%	0.808	S	S	*	*			trans	-162.6	165.7	130.5	-110.5	-71.8	0	0	0	110.9
449	T	30.6	Very low	29	Very low	121 Å²	121	145.9 Å²	145.9	74%	0.742	81%	0.807	S	S	*	*			trans	-119.2	166.5	-148	41	0	0	0	0	116.6
450	F	24.8	Very low	29.1	Very low	197 Å²	197	143.5 Å²	143.5	86%	0.864	80%	0.804	S	S	*	*			trans	-74	165.5	173.9	-94.7	-98	0	0	0	113.9
451	S	31.3	Very low	28.8	Very low	121 Å²	121	146.1 Å²	146.1	85%	0.846	81%	0.813	S	S	*	*			trans	-153	142.2	156.2	-76	0	0	0	0	111.7
452	N	23.5	Very low	28.6	Very low	159 Å²	159	146 Å²	146	85%	0.85	81%	0.812	S	S	*	*			trans	-104.2	150.4	175.3	-78.9	-19.5	0	0	0	110.7
453	A	30.1	Very low	28.3	Very low	99 Å²	99	145.3 Å²	145.3	82%	0.818	81%	0.809	S	S	*	*			trans	-153.3	95.8	165.6	0	0	0	0	0	113.6
454	T	29.5	Very low	28	Very low	122 Å²	122	142.4 Å²	142.4	75%	0.748	81%	0.806	S	S	*	*			trans	13.3	137.8	144.2	-37.5	0	0	0	0	123.3
455	E	26.1	Very low	27.5	Very low	165 Å²	165	149.8 Å²	149.8	77%	0.771	81%	0.811	S	S	*	*			trans	-7.6	153.6	151	-44.4	171.7	136.9	0	0	121.7
456	H	31.9	Very low	27.4	Very low	175 Å²	175	150.8 Å²	150.8	81%	0.81	82%	0.816	S	S	*	*				-166.4	157.9	117.3	-107.4	-70.2	0	0	0	114.7
457	N	24.9	Very low	27	Very low	139 Å²	139	149.7 Å²	149.7	74%	0.743	81%	0.805	S	S	*	*			trans	-72.8	157.8	-175.1	-64.2	-55.1	0	0	0	115.7
458	M	28.3	Very low	26.8	Very low	189 Å²	189	151.5 Å²	151.5	93%	0.931	81%	0.811	S	S	*	*				179.9	161	101.6	-96.5	-168.4	170.1	0	0	114.7
459	V	24.1	Very low	26.7	Very low	145 Å²	145	147.2 Å²	147.2	88%	0.879	81%	0.809	S	S	*	*			trans	-130.9	132.1	-177.9	172.6	0	0	0	0	110.7
460	S	27.2	Very low	26.4	Very low	108 Å²	108	146.3 Å²	146.3	76%	0.755	81%	0.807	S	S	*	*			trans	-177.4	160.6	155.1	61.6	0	0	0	0	108.1
461	N	29.1	Very low	26.5	Very low	157 Å²	157	144.9 Å²	144.9	84%	0.84	80%	0.803	S	S	*	*			cis	-148	175.7	-3.8	-140.1	-20	0	0	0	110.4
462	V	24.6	Very low	26.2	Very low	120 Å²	120	146.4 Å²	146.4	73%	0.727	80%	0.802	S	S	*	*			trans	-84	142.4	179.5	177.9	0	0	0	0	112.5	V464	V462-V464 HydrophobicContact CG1-CG2 3.87Å
463	D	25.4	Very low	26.4	Very low	154 Å²	154	147.3 Å²	147.3	82%	0.824	81%	0.806	S	S	*	*			trans	-144.4	152.1	141.5	-159	-3.2	0	0	0	110.3
464	V	26.2	Very low	26.3	Very low	116 Å²	116	149.9 Å²	149.9	70%	0.703	80%	0.798	S	S	*	*			trans	-136.9	93.8	-172.8	-179.7	0	0	0	0	110.2	V462	V462-V464 HydrophobicContact CG1-CG2 3.87Å
465	R	23.9	Very low	26.2	Very low	228 Å²	228	150.6 Å²	150.6	86%	0.86	79%	0.793	S	S	*	*			trans	-164.9	142.9	161.8	-109.1	148.8	-175.7	-167.2	0.1	111.8
466	N	27.2	Very low	26.1	Very low	159 Å²	159	147.9 Å²	147.9	85%	0.85	79%	0.792	S	S	*	*			trans	64.6	133.4	-173.2	-47.2	-19.7	0	0	0	111.8
467	G	23	Very low	25.9	Very low	58 Å²	58	144.2 Å²	144.2	60%	0.598	79%	0.792	S	S	*	*			cis	103.7	103.9	20.1	0	0	0	0	0	108.2
468	F	22.6	Very low	26.1	Very low	217 Å²	217	141 Å²	141	95%	0.952	78%	0.781	S	S	*	*			trans	67.4	105.4	-163.9	-58	-87.2	0	0	0	114.7
469	V	26	Very low	26	Very low	143 Å²	143	137.5 Å²	137.5	87%	0.867	77%	0.766	S	S	*	*			trans	-126.3	121.5	159.9	179.2	0	0	0	0	108.8
470	S	25.1	Very low	26.2	Very low	102 Å²	102	138 Å²	138	71%	0.713	76%	0.76	S	S	*	*			trans	-58.4	166.4	-173.9	-41.9	0	0	0	0	115.6	N472	S470-N472 PolarHBondContact O-N 2.62Å
471	E	25.9	Very low	26.2	Very low	167 Å²	167	139 Å²	139	78%	0.78	76%	0.756	S	S	*	*	S	Bend	trans	-49.5	109.7	159.3	-63.8	178.9	87.9	0	0	111.2
472	N	26.1	Very low	26.2	Very low	152 Å²	152	136.4 Å²	136.4	81%	0.813	75%	0.749	S	S	*	*			trans	-165.1	61	164.5	-101.7	-35.7	0	0	0	113.1	S470	S470-N472 PolarHBondContact O-N 2.62Å
473	L	27.1	Very low	26.2	Very low	179 Å²	179	137.5 Å²	137.5	94%	0.937	75%	0.751	S	S	*	*			trans	-135.8	41.1	163.8	-150.1	74	0	0	0	112.6
474	K	27.4	Very low	26.2	Very low	152 Å²	152	134.5 Å²	134.5	66%	0.661	74%	0.742	S	S	*	*			trans	-86.6	134.4	169.6	-79.4	177.6	178	161	0	110
475	H	27.4	Very low	26.1	Very low	137 Å²	137	135.9 Å²	135.9	63%	0.634	74%	0.744	S	S	*	*			trans	60.5	98.6	167.1	-44	-58.2	0	0	0	117.7
476	S	25.2	Very low	26.3	Very low	109 Å²	109	130.8 Å²	130.8	76%	0.762	74%	0.738	S	S	*	*	S	Bend	trans	-134.6	-46	157.1	-164.3	0	0	0	0	112	S478	S476-S478 PolarHBondContact O-N 2.92Å
477	A	27.5	Very low	26.1	Very low	97 Å²	97	130.4 Å²	130.4	80%	0.802	74%	0.736	S	S	*	*	G	3₁₀ helix	trans	-64.9	-21.1	174.1	0	0	0	0	0	114.4	N479	A477-N479 PolarHBondContact O-N 2.97Å
478	S	28.1	Very low	26.2	Very low	73 Å²	73	132.8 Å²	132.8	51%	0.51	74%	0.742	S	S	.	*	G	3₁₀ helix	trans	-72.2	-24.7	-172.6	-47.1	0	0	0	0	114.8	S476	S476-S478 PolarHBondContact O-N 2.92Å
479	N	26.8	Very low	26.3	Very low	115 Å²	115	128 Å²	128	62%	0.615	74%	0.736	S	S	*	*	G	3₁₀ helix	trans	-102.5	-2.9	-163	-69.5	-7.5	0	0	0	114.8	A477	A477-N479 PolarHBondContact O-N 2.97Å
480	M	27.5	Very low	26.2	Very low	155 Å²	155	126.9 Å²	126.9	76%	0.764	74%	0.735	S	S	*	*	S	Bend	trans	-84.3	-11.4	-174.9	-67.1	-142.6	74.8	0	0	115.3
481	L	29.2	Very low	26.1	Very low	128 Å²	128	133.2 Å²	133.2	67%	0.67	74%	0.743	S	S	*	*	S	Bend	trans	-100.9	-6.6	-173.9	-70.6	174.2	0	0	0	115.4
482	C	27.3	Very low	26.4	Very low	103 Å²	103	130.7 Å²	130.7	70%	0.696	74%	0.743	S	S	*	*	S	Bend	trans	-80	-14.6	177.4	-66.3	0	0	0	0	114.5
483	N	25.9	Very low	26.3	Very low	144 Å²	144	131.3 Å²	131.3	77%	0.77	75%	0.747	S	S	*	*	S	Bend	trans	-105.6	-1.6	-173.6	-76	-10.2	0	0	0	115.1	I485	N483-I485 VanDerWaalsContact C-N 3.29Å; N483-I485 PolarHBondContact O-N 3.25Å; N483-I485 VanDerWaalsContact O-N 3.13Å
484	S	24.8	Very low	26.5	Very low	90 Å²	90	130 Å²	130	63%	0.629	74%	0.739	S	S	*	*			trans	-88.2	62	176.2	-70.4	0	0	0	0	112.1	V486	S484-V486 PolarHBondContact O-N 3.11Å
485	I	25.2	Very low	26.5	Very low	145 Å²	145	129.7 Å²	129.7	74%	0.744	75%	0.745	S	S	*	*			trans	-72.6	93.4	175.2	-59.9	172.7	0	0	0	109	N483 N487	N483-I485 VanDerWaalsContact C-N 3.29Å; N483-I485 PolarHBondContact O-N 3.25Å; N483-I485 VanDerWaalsContact O-N 3.13Å; I485-N487 PolarHBondContact O-N 3.06Å
486	V	27	Very low	26.7	Very low	121 Å²	121	130.2 Å²	130.2	73%	0.733	75%	0.751	S	S	*	*			trans	-72.1	96.1	170.8	-179	0	0	0	0	108.8	S484 C488	S484-V486 PolarHBondContact O-N 3.11Å; V486-C488 PolarHBondContact O-N 2.99Å; V486-C488 VanDerWaalsContact O-N 3.09Å
487	N	22.9	Very low	26.8	Very low	152 Å²	152	135.7 Å²	135.7	81%	0.813	76%	0.755	S	S	*	*			trans	-75.8	92.2	-172.3	-165.2	5.3	0	0	0	111.4	I485	I485-N487 PolarHBondContact O-N 3.06Å
488	C	25.3	Very low	26.9	Very low	107 Å²	107	140.6 Å²	140.6	72%	0.723	76%	0.758	S	S	*	*			trans	-105.8	121.9	-179.4	-75.3	0	0	0	0	112.7	V486	V486-C488 PolarHBondContact O-N 2.99Å; V486-C488 VanDerWaalsContact O-N 3.09Å
489	S	24.1	Very low	27.2	Very low	116 Å²	116	145.2 Å²	145.2	81%	0.811	77%	0.769	S	S	*	*			trans	-70.3	140.6	-161.4	-164.7	0	0	0	0	116.6	R491	S489-R491 PolarHBondContact O-N 3.36Å; S489-R491 VanDerWaalsContact O-N 3.08Å
490	S	24.3	Very low	27.3	Very low	121 Å²	121	145.3 Å²	145.3	85%	0.846	77%	0.773	S	S	*	*			trans	-76.7	80.9	179.9	-50	0	0	0	0	114
491	R	23.9	Very low	27.4	Very low	235 Å²	235	147.7 Å²	147.7	89%	0.887	78%	0.775	S	S	*	*			trans	-159.6	92	170.5	-116.9	170.7	-170.4	-155.8	3.3	116.5	S489	S489-R491 PolarHBondContact O-N 3.36Å; S489-R491 VanDerWaalsContact O-N 3.08Å
492	S	31.3	Very low	27.4	Very low	113 Å²	113	150.2 Å²	150.2	79%	0.79	78%	0.781	S	S	*	*			trans	-154.9	122.9	147.8	60.3	0	0	0	0	111.4
493	N	24.6	Very low	27.8	Very low	165 Å²	165	154.9 Å²	154.9	88%	0.882	79%	0.79	S	S	*	*			trans	-93.3	115.9	178.5	-79	-73.1	0	0	0	110.2
494	I	31.9	Very low	28	Very low	152 Å²	152	152.9 Å²	152.9	78%	0.779	79%	0.787	S	S	*	*			trans	-124.8	124.9	163.6	-61.8	-177	0	0	0	108.7	I496	I494-I496 HydrophobicContact CG2-CG1 4.45Å
495	N	25.8	Very low	28.6	Very low	145 Å²	145	157.4 Å²	157.4	78%	0.775	80%	0.795	S	S	*	*			trans	-110.9	96.7	-158.4	-170.9	-20.6	0	0	0	111.4
496	I	31.6	Very low	29	Very low	148 Å²	148	162 Å²	162	76%	0.759	80%	0.803	S	S	*	*			trans	-109.9	103.7	-177.5	-56.1	-178.5	0	0	0	110.4	I494 K498	I494-I496 HydrophobicContact CG2-CG1 4.45Å; I496-K498 PolarHBondContact O-N 2.84Å
497	R	28.3	Very low	29.2	Very low	224 Å²	224	162.8 Å²	162.8	85%	0.845	81%	0.808	S	S	*	*			trans	-66.8	108.4	178.1	-74.6	176.8	165.7	174	-5.8	112
498	K	29	Very low	29.8	Very low	201 Å²	201	165 Å²	165	87%	0.874	81%	0.81	S	S	*	*			trans	-60.7	133.6	161.1	-71.1	-178.1	177	178.3	0	109.9	I496	I496-K498 PolarHBondContact O-N 2.84Å
499	K	33.6	Very low	30.3	Very low	170 Å²	170	168.2 Å²	168.2	74%	0.739	81%	0.812	S	S	*	*			trans	-117.3	117.8	165	-83.3	-167.3	173.5	-173.2	0	109.6	Y501	K499-Y501 HydrophobicContact CB-CE2 4.5Å; K499-Y501 HydrophobicContact CD-CE2 4.46Å
500	V	29.5	Very low	30.6	Very low	117 Å²	117	168.3 Å²	168.3	71%	0.709	81%	0.81	S	S	*	*			trans	-94.1	134.4	178.6	180	0	0	0	0	109.7
501	Y	29.4	Very low	31.1	Very low	205 Å²	205	171.4 Å²	171.4	80%	0.804	81%	0.808	S	S	*	*			trans	-142.1	83.1	169	-76.9	-67.7	0	0	0	111.8	K499	K499-Y501 HydrophobicContact CB-CE2 4.5Å; K499-Y501 HydrophobicContact CD-CE2 4.46Å
502	F	28.8	Very low	31.3	Very low	181 Å²	181	166 Å²	166	79%	0.794	80%	0.802	S	S	*	*			trans	-81.5	142.9	158.9	-103	-91.1	0	0	0	110.2
503	K	36.5	Very low	31.3	Very low	201 Å²	201	165 Å²	165	87%	0.874	80%	0.795	S	S	*	*			trans	-153.5	63.2	170.3	-135.1	173.2	-169	174.9	0	113.6
504	S	29.4	Very low	31.7	Very low	101 Å²	101	164.5 Å²	164.5	71%	0.706	79%	0.792	S	S	*	*			trans	-60	139.5	176.4	-42.6	0	0	0	0	112.4
505	K	38.5	Very low	31.7	Very low	185 Å²	185	160.9 Å²	160.9	80%	0.804	78%	0.78	S	S	*	*			trans	-142.9	113	168	-84.8	-162.5	173.5	-176	0	114.3
506	R	33	Very low	32.1	Very low	241 Å²	241	158.8 Å²	158.8	91%	0.909	77%	0.772	S	S	*	*			trans	71.5	103.6	149.9	-65.6	-174.6	171.9	174.9	-3.6	119.9
507	V	30.7	Very low	32.1	Very low	139 Å²	139	155.7 Å²	155.7	84%	0.842	76%	0.755	S	S	*	*			trans	-82.1	149.4	151.8	174	0	0	0	0	110.9
508	K	36.1	Very low	32.2	Very low	197 Å²	197	149.6 Å²	149.6	86%	0.857	74%	0.739	S	S	*	*			trans	163.9	133.3	149.6	-97	170.4	-177.9	-174.2	0	108.7
509	K	35.2	Very low	32.3	Very low	175 Å²	175	146.5 Å²	146.5	76%	0.761	73%	0.732	S	S	*	*			cis	-147.4	158.3	15.2	-76	173.9	166.9	179.4	0	111.1
510	P	31.7	Very low	32.3	Very low	118 Å²	118	143.4 Å²	143.4	77%	0.766	73%	0.732	S	S	*	*			trans	-97.1	169.8	160.9	38.8	-33.2	0	0	0	113
511	F	33.5	Very low	32.4	Very low	186 Å²	186	145 Å²	145	82%	0.816	74%	0.736	S	S	*	*			trans	-161.6	174.3	162.4	-106.7	-68.4	0	0	0	113.1
512	T	29.7	Very low	32.5	Very low	122 Å²	122	143.2 Å²	143.2	75%	0.748	74%	0.739	S	S	*	*			trans	-151.3	165.9	-153	38.2	0	0	0	0	111.4
513	S	30	Very low	32.7	Very low	93 Å²	93	139.8 Å²	139.8	65%	0.65	74%	0.736	S	S	*	*			cis	-172.1	-160.4	-13.4	51.6	0	0	0	0	109.9
514	N	33.8	Very low	32.6	Very low	154 Å²	154	135.6 Å²	135.6	82%	0.824	73%	0.73	S	S	*	*			trans	92.2	168.3	163	-54.4	1.1	0	0	0	118.4
515	S	30.9	Very low	32.6	Very low	75 Å²	75	138.8 Å²	138.8	52%	0.524	73%	0.733	S	S	.	*			trans	-161.1	172.8	-150.3	56	0	0	0	0	113.5	L86	L86-S515 WeakPolarHBondContact CD2-OG 3.34Å
516	V	34.5	Very low	32.3	Very low	101 Å²	101	138.1 Å²	138.1	61%	0.612	74%	0.739	S	S	*	*			trans	-179.1	170.4	149.7	137.6	0	0	0	0	115.1	T85	T85-V516 PolarHBondContact OG1-O 2.88Å
517	Q	31.2	Very low	32.4	Very low	83 Å²	83	132.1 Å²	132.1	39%	0.388	73%	0.734	S	S	.	*			trans	-65.2	174.3	-174.7	-90.4	174.4	-78.1	0	0	119	T85 L86 N87	T85-Q517 VanDerWaalsContact O-CA 3.29Å; T85-Q517 WeakPolarHBondContact O-CA 3.47Å; L86-Q517 HydrophobicContact CB-CG 3.93Å; L86-Q517 WeakPolarHBondContact O-CG 3.45Å; N87-Q517 HydrophobicContact CB-CG 4.12Å; N87-Q517 PolarHBondContact ND2-OE1 3Å
518	N	31.2	Very low	32.7	Very low	97 Å²	97	130.7 Å²	130.7	52%	0.519	73%	0.729	S	S	.	*			cis	-162.2	160.3	12.3	-129.8	-7.6	0	0	0	114.6
519	N	31.3	Very low	32.8	Very low	136 Å²	136	127.1 Å²	127.1	73%	0.727	73%	0.726	S	S	*	*			trans	34.8	137.5	146.7	-63.3	-12.5	0	0	0	122.4
520	S	33.6	Very low	32.9	Very low	104 Å²	104	128.7 Å²	128.7	73%	0.727	73%	0.733	S	S	*	*			cis	-174	157.1	44.6	45.8	0	0	0	0	116
521	N	30.6	Very low	33	Very low	150 Å²	150	132.3 Å²	132.3	80%	0.802	74%	0.737	S	S	*	*			trans	69.8	135.5	147.8	-75.9	0.7	0	0	0	125.6
522	I	33.3	Very low	33.3	Very low	169 Å²	169	128.1 Å²	128.1	87%	0.867	73%	0.731	S	S	*	*			trans	86.1	132.5	160	-62.4	159.1	0	0	0	118
523	C	32.7	Very low	33.9	Very low	109 Å²	109	130 Å²	130	74%	0.736	74%	0.736	S	S	*	*			trans	-113	169.3	-178.1	-132.7	0	0	0	0	109.3
524	P	34.1	Very low	34.2	Very low	113 Å²	113	131.7 Å²	131.7	73%	0.734	73%	0.732	S	S	*	*				-138.4	160.8	56.1	37.5	-19	0	0	0	117.6
525	E	29.5	Very low	34.9	Very low	167 Å²	167	134.9 Å²	134.9	78%	0.78	73%	0.732	S	S	*	*			trans	7.5	115.5	150.2	-57.1	179.8	122.2	0	0	119.1
526	N	31.2	Very low	35.7	Very low	172 Å²	172	133.1 Å²	133.1	92%	0.92	73%	0.726	S	S	*	*			trans	-167	91.3	147.8	-108.2	-68.7	0	0	0	110.6
527	S	35.2	Very low	36.8	Very low	115 Å²	115	130.1 Å²	130.1	80%	0.804	71%	0.708	S	S	*	*			trans	-126.6	78.7	-177.2	47.1	0	0	0	0	112.4
528	S	36.8	Very low	38.5	Very low	108 Å²	108	128.6 Å²	128.6	76%	0.755	71%	0.707	S	S	*	*	P	Polyproline II helix	trans	-57.9	134	173.8	60.6	0	0	0	0	111.7	K530	S528-K530 PolarHBondContact O-N 3.04Å
529	P	39.8	Very low	40.6	Very low	122 Å²	122	132 Å²	132	79%	0.792	72%	0.719	S	S	*	*	P	Polyproline II helix	trans	-66.8	134.1	-177.4	26.4	-34.1	0	0	0	111.7	K531	P529-K531 PolarHBondContact O-N 3.22Å
530	K	36.8	Very low	42.6	Very low	208 Å²	208	131.3 Å²	131.3	90%	0.904	71%	0.712	S	S	*	*	P	Polyproline II helix	trans	-62.6	124.6	177.5	-72.3	176.4	178.3	172.1	0	110	S528 S532	S528-K530 PolarHBondContact O-N 3.04Å; K530-S532 PolarHBondContact O-N 3.43Å
531	K	34.4	Very low	44.8	Very low	195 Å²	195	128.6 Å²	128.6	85%	0.848	69%	0.688	S	S	*	*	P	Polyproline II helix	trans	-59.1	120.9	175.1	-71.2	177	178.3	171.9	0	110.2	P529	P529-K531 PolarHBondContact O-N 3.22Å
532	S	39.4	Very low	47.5	Very low	97 Å²	97	123 Å²	123	68%	0.678	66%	0.658	S	S	*	*	P	Polyproline II helix	trans	-66.9	130.9	166.7	-179.3	0	0	0	0	109.4	K530 F534	K530-S532 PolarHBondContact O-N 3.43Å; S532-F534 WeakPolarHBondContact OG-CB 3.25Å; S532-F534 PolarHBondContact OG-N 3.36Å
533	N	41.4	Very low	49.9	Very low	163 Å²	163	120.3 Å²	120.3	87%	0.872	64%	0.64	S	S	*	*			trans	-88.5	13.3	172.1	-72.4	-36.6	0	0	0	112.3	R535	N533-R535 PolarHBondContact O-N 2.94Å
534	F	37.3	Very low	52.6	Low	127 Å²	127	118.2 Å²	118.2	56%	0.557	62%	0.623	S	S	*	*			trans	-71.5	124.2	-179.7	-162.8	-99.4	0	0	0	110.8	T365 S532 G536	T365-F534 HydrophobicContact CG2-CE2 4.46Å; T365-F534 HydrophobicContact CG2-CZ 4.3Å; S532-F534 WeakPolarHBondContact OG-CB 3.25Å; S532-F534 PolarHBondContact OG-N 3.36Å; F534-G536 PolarHBondContact O-N 2.98Å
535	R	48.4	Very low	55.1	Low	221 Å²	221	113.8 Å²	113.8	83%	0.834	60%	0.596	S	S	*	*	S	Bend	trans	-84.3	37.6	-174.6	-159.5	-179.1	171.5	-156.3	-6.4	112.9	N533	N533-R535 PolarHBondContact O-N 2.94Å
536	G	47.1	Very low	57.5	Low	38 Å²	38	111.9 Å²	111.9	39%	0.392	60%	0.599	S	S	.	*	S	Bend	trans	-113.5	146.8	168.2	0	0	0	0	0	108.9	F534 S538	F534-G536 PolarHBondContact O-N 2.98Å; G536-S538 PolarHBondContact O-N 3.44Å
537	T	57.4	Low	60.1	Low	39 Å²	39	110.8 Å²	110.8	24%	0.239	59%	0.593	C	S	.	*			trans	-53.5	125	179.3	47.8	0	0	0	0	110.5	E541 N542 T585	T537-E541 WeakPolarHBondContact CA-OE2 3.15Å; T537-N542 VanDerWaalsContact CB-ND2 3.31Å; T537-N542 WeakPolarHBondContact CB-ND2 3.31Å; T537-N542 PolarHBondContact O-ND2 2.93Å; T537-N542 PolarHBondContact OG1-ND2 3.21Å; T537-T585 HydrophobicContact CG2-CG2 3.39Å
538	S	67.7	Low	62.6	Low	51 Å²	51	107.3 Å²	107.3	36%	0.357	56%	0.563	S	S	.	*			trans	-62.6	159.9	174.9	61.5	0	0	0	0	110.7	G536 E540 E541 N542	G536-S538 PolarHBondContact O-N 3.44Å; S538-E540 PolarHBondContact O-N 2.76Å; S538-E541 PolarHBondContact O-N 3.28Å; S538-E541 VanDerWaalsContact O-N 3.15Å; S538-E541 PolarHBondContact OG-N 2.83Å; S538-N542 PolarHBondContact O-N 2.74Å; S538-N542 PolarHBondContact O-ND2 3.04Å
539	E	74.1	Confident	65	Low	167 Å²	167	110.7 Å²	110.7	78%	0.78	56%	0.564	S	S	*	*	H	α-helix	trans	-54	-38.5	170.4	-168.6	-170	148.5	0	0	110.7	N542 K543	E539-N542 PolarHBondContact O-N 2.9Å; E539-K543 PolarHBondContact O-N 2.98Å; E539-K543 VanDerWaalsContact O-N 3.14Å
540	E	74.2	Confident	67.2	Low	122 Å²	122	107.1 Å²	107.1	57%	0.57	54%	0.541	S	S	*	.	H	α-helix	trans	-56.1	-52.7	172.3	-179	179.6	-142.1	0	0	113.3	S538 N542 K543 Q634	S538-E540 PolarHBondContact O-N 2.76Å; E540-N542 PolarHBondContact O-N 2.75Å; E540-N542 VanDerWaalsContact O-N 3.12Å; E540-K543 WeakPolarHBondContact O-CB 3.36Å; E540-K543 PolarHBondContact O-N 3.47Å; E540-Q634 VanDerWaalsContact O-CG 3.25Å; E540-Q634 WeakPolarHBondContact O-CG 3.39Å
541	E	79.8	Confident	69.7	Low	47 Å²	47	99.5 Å²	99.5	22%	0.22	51%	0.51	C	S	.	.	H	α-helix	trans	-60.2	-23.8	177.4	-80.1	-169.1	142.4	0	0	113.2	T537 S538 L635	T537-E541 WeakPolarHBondContact CA-OE2 3.15Å; S538-E541 PolarHBondContact O-N 3.28Å; S538-E541 VanDerWaalsContact O-N 3.15Å; S538-E541 PolarHBondContact OG-N 2.83Å; E541-L635 HydrophobicContact CB-CD1 4.26Å; E541-L635 HydrophobicContact CG-CD1 4.13Å; E541-L635 WeakPolarHBondContact OE1-CD1 3.42Å
542	N	86.9	Confident	72.3	Confident	32 Å²	32	94.3 Å²	94.3	17%	0.171	49%	0.489	C	S	.	.	H	α-helix	trans	-90.2	-10	177.6	-64.9	-62.6	0	0	0	114	T537 S538 E539 E540 V544 S583 A584 H632	T537-N542 VanDerWaalsContact CB-ND2 3.31Å; T537-N542 WeakPolarHBondContact CB-ND2 3.31Å; T537-N542 PolarHBondContact O-ND2 2.93Å; T537-N542 PolarHBondContact OG1-ND2 3.21Å; S538-N542 PolarHBondContact O-N 2.74Å; S538-N542 PolarHBondContact O-ND2 3.04Å; E539-N542 PolarHBondContact O-N 2.9Å; E540-N542 PolarHBondContact O-N 2.75Å; E540-N542 VanDerWaalsContact O-N 3.12Å; N542-V544 PolarHBondContact O-N 3.35Å; N542-S583 VanDerWaalsContact OD1-CA 3.25Å; N542-S583 WeakPolarHBondContact OD1-CA 3.42Å; N542-A584 PolarHBondContact OD1-N 2.94Å; N542-H632 PolarHBondContact O-CE1 3.32Å; N542-H632 PolarHBondContact O-ND1 3.33Å; N542-H632 VanDerWaalsContact O-ND1 3.15Å
543	K	84.4	Confident	74.6	Confident	113 Å²	113	93.2 Å²	93.2	49%	0.491	48%	0.478	S	S	.	.	P	Polyproline II helix	trans	-56.6	126.5	176.6	-72.5	176.2	-176.7	176.5	0	110.4	E539 E540 H632 Q634	E539-K543 PolarHBondContact O-N 2.98Å; E539-K543 VanDerWaalsContact O-N 3.14Å; E540-K543 WeakPolarHBondContact O-CB 3.36Å; E540-K543 PolarHBondContact O-N 3.47Å; K543-H632 PolarHBondContact O-ND1 3.41Å; K543-Q634 PolarHBondContact O-NE2 3.25Å
544	V	88.4	Confident	76.7	Confident	65 Å²	65	92.6 Å²	92.6	39%	0.394	48%	0.475	S	S	.	.	P	Polyproline II helix	trans	-83.3	139.4	174.5	177.4	0	0	0	0	109	N542 F548 R631	N542-V544 PolarHBondContact O-N 3.35Å; V544-F548 HydrophobicContact CG1-CB 4.36Å; V544-R631 CarbonylContact C-O 3.59Å; V544-R631 VanDerWaalsContact CA-O 3.26Å; V544-R631 WeakPolarHBondContact CA-O 3.36Å; V544-R631 HydrophobicContact CG1-CG 3.97Å; V544-R631 HydrophobicContact CG2-CG 4.37Å
545	A	87.4	Confident	78.9	Confident	20 Å²	20	90.7 Å²	90.7	17%	0.165	48%	0.477	C	S	.	.	P	Polyproline II helix	trans	-64.2	130.4	174.4	0	0	0	0	0	110.6	N547 F548 R631 P633	A545-N547 PolarHBondContact O-N 3.37Å; A545-F548 HydrophobicContact CB-CB 4.25Å; A545-F548 VanDerWaalsContact O-CB 3.25Å; A545-F548 WeakPolarHBondContact O-CB 3.48Å; A545-F548 PolarHBondContact O-N 2.93Å; A545-R631 PolarHBondContact N-O 3.49Å; A545-P633 HydrophobicContact CB-CG 4.02Å
546	P	80.5	Confident	80.9	Confident	127 Å²	127	83.5 Å²	83.5	83%	0.825	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-26.8	-173.4	25.5	-35	0	0	0	113.2
547	N	84.8	Confident	83	Confident	150 Å²	150	81.7 Å²	81.7	80%	0.802	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.6	1.8	179.7	-61.6	-4.8	0	0	0	113.1	A545 K549	A545-N547 PolarHBondContact O-N 3.37Å; N547-K549 PolarHBondContact O-N 3.14Å
548	F	87.9	Confident	84.6	Confident	42 Å²	42	80.9 Å²	80.9	18%	0.184	43%	0.428	C	S	.	.			trans	-69.4	117.8	-177	179.5	-95.9	0	0	0	111.6	V544 A545 F627 Q630 R631	V544-F548 HydrophobicContact CG1-CB 4.36Å; A545-F548 HydrophobicContact CB-CB 4.25Å; A545-F548 VanDerWaalsContact O-CB 3.25Å; A545-F548 WeakPolarHBondContact O-CB 3.48Å; A545-F548 PolarHBondContact O-N 2.93Å; F548-F627 HydrophobicContact CE1-CE2 4.5Å; F548-F627 HydrophobicContact CE1-CZ 4.49Å; F548-F627 HydrophobicContact CE2-CE2 4.37Å; F548-F627 HydrophobicContact CZ-CD2 4.24Å; F548-F627 AromaticContact CZ-CE2 3.58Å; F548-F627 HydrophobicContact CZ-CE2 3.58Å; F548-F627 AromaticContact CZ-CZ 3.87Å; F548-F627 HydrophobicContact CZ-CZ 3.87Å; F548-Q630 HydrophobicContact CD2-CB 4.07Å; F548-Q630 HydrophobicContact CE2-CB 3.99Å; F548-R631 HydrophobicContact CD1-CB 4.36Å; F548-R631 HydrophobicContact CD1-CG 3.95Å; F548-R631 HydrophobicContact CD2-CB 3.95Å; F548-R631 HydrophobicContact CD2-CG 4.41Å; F548-R631 HydrophobicContact CE1-CB 4.26Å; F548-R631 HydrophobicContact CE1-CG 3.99Å; F548-R631 HydrophobicContact CE2-CB 3.83Å; F548-R631 HydrophobicContact CE2-CG 4.43Å; F548-R631 HydrophobicContact CG-CB 4.21Å; F548-R631 HydrophobicContact CG-CG 4.17Å; F548-R631 HydrophobicContact CZ-CB 4Å; F548-R631 HydrophobicContact CZ-CG 4.23Å
549	K	86.1	Confident	85.7	Confident	178 Å²	178	78.5 Å²	78.5	77%	0.774	41%	0.411	S	S	*	.			trans	-122.3	132.5	169.9	-64	-178.3	-178.4	178.6	0	108.7	N547	N547-K549 PolarHBondContact O-N 3.14Å
550	P	86.2	Confident	86.5	Confident	47 Å²	47	70.7 Å²	70.7	31%	0.305	38%	0.375	S	S	.	.			trans	-68.9	143.6	173.3	30.3	-34	0	0	0	110.2	I557 F573	P550-I557 HydrophobicContact CB-CD1 4.44Å; P550-I557 HydrophobicContact CB-CG2 3.84Å; P550-F573 HydrophobicContact CB-CE1 4.01Å; P550-F573 HydrophobicContact CB-CE2 4.4Å; P550-F573 HydrophobicContact CB-CZ 3.71Å; P550-F573 HydrophobicContact CG-CE1 4.1Å; P550-F573 HydrophobicContact CG-CZ 4.23Å
551	I	89.6	Confident	87.1	Confident	48 Å²	48	71.8 Å²	71.8	25%	0.246	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	116.5	179.2	-57.7	173.8	0	0	0	108.1	V553 I557 L558 E561	I551-V553 HydrophobicContact CG2-CG2 4.27Å; I551-I557 CarbonylContact O-C 3.58Å; I551-I557 WeakPolarHBondContact O-CA 3.44Å; I551-L558 HydrophobicContact CB-CB 4.35Å; I551-L558 HydrophobicContact CG2-CB 4.27Å; I551-L558 HydrophobicContact CG2-CD2 4.47Å; I551-L558 PolarHBondContact O-N 2.75Å; I551-E561 HydrophobicContact CD1-CG 3.52Å; I551-E561 WeakPolarHBondContact CD1-OE1 3.46Å
552	E	89	Confident	87.5	Confident	86 Å²	86	72.7 Å²	72.7	40%	0.402	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	124.6	-179.5	-174.2	168.7	176.9	0	0	110.9	Q556 I557 K570	E552-Q556 WeakPolarHBondContact CA-O 3.3Å; E552-I557 HydrophobicContact CB-CD1 3.78Å; E552-I557 HydrophobicContact CG-CD1 3.93Å; E552-K570 WeakPolarHBondContact OE1-CD 3.48Å; E552-K570 WeakPolarHBondContact OE1-CE 3.41Å; E552-K570 IonicContact OE1-NZ 3.61Å; E552-K570 PolarHBondContact OE1-NZ 3.4Å; E552-K570 VanDerWaalsContact OE2-CE 3.3Å; E552-K570 WeakPolarHBondContact OE2-CE 3.42Å; E552-K570 IonicContact OE2-NZ 2.69Å; E552-K570 PolarHBondContact OE2-NZ 3.09Å
553	V	87.6	Confident	87.6	Confident	75 Å²	75	73.5 Å²	73.5	46%	0.455	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	121.8	178.6	-177.5	0	0	0	0	107.8	I551 S555 Q556	I551-V553 HydrophobicContact CG2-CG2 4.27Å; V553-S555 VanDerWaalsContact C-N 3.32Å; V553-S555 PolarHBondContact O-N 3.21Å; V553-Q556 PolarHBondContact N-O 2.68Å; V553-Q556 WeakPolarHBondContact O-CA 3.43Å; V553-Q556 WeakPolarHBondContact O-CB 3.39Å; V553-Q556 PolarHBondContact O-N 2.86Å; V553-Q556 VanDerWaalsContact O-O 3.05Å
554	N	85	Confident	87.8	Confident	150 Å²	150	72.1 Å²	72.1	80%	0.802	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.9	47.4	177.5	-57.8	-12	0	0	0	113.5	Q556	N554-Q556 PolarHBondContact O-N 2.92Å; N554-Q556 VanDerWaalsContact O-N 3.14Å
555	S	84.9	Confident	87.8	Confident	86 Å²	86	76 Å²	76	60%	0.601	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	60	16.2	-176.4	-54.2	0	0	0	0	115.4	V553 K570	V553-S555 VanDerWaalsContact C-N 3.32Å; V553-S555 PolarHBondContact O-N 3.21Å; S555-K570 PolarHBondContact O-N 2.92Å
556	Q	89.4	Confident	88	Confident	71 Å²	71	75.2 Å²	75.2	33%	0.332	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	141	174	-63.3	178.9	-17.8	0	0	109.2	E552 V553 N554 L568	E552-Q556 WeakPolarHBondContact CA-O 3.3Å; V553-Q556 PolarHBondContact N-O 2.68Å; V553-Q556 WeakPolarHBondContact O-CA 3.43Å; V553-Q556 WeakPolarHBondContact O-CB 3.39Å; V553-Q556 PolarHBondContact O-N 2.86Å; V553-Q556 VanDerWaalsContact O-O 3.05Å; N554-Q556 PolarHBondContact O-N 2.92Å; N554-Q556 VanDerWaalsContact O-N 3.14Å; Q556-L568 CarbonylContact C-O 3.44Å; Q556-L568 VanDerWaalsContact CA-O 3.25Å; Q556-L568 WeakPolarHBondContact CA-O 3.49Å; Q556-L568 WeakPolarHBondContact CB-O 3.35Å
557	I	91	Very high	88.5	Confident	0 Å²	0	74.2 Å²	74.2	0%	0	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	119	175.8	-55.6	-56.4	0	0	0	108.7	P550 I551 E552 K567 L568 F573	P550-I557 HydrophobicContact CB-CD1 4.44Å; P550-I557 HydrophobicContact CB-CG2 3.84Å; I551-I557 CarbonylContact O-C 3.58Å; I551-I557 WeakPolarHBondContact O-CA 3.44Å; E552-I557 HydrophobicContact CB-CD1 3.78Å; E552-I557 HydrophobicContact CG-CD1 3.93Å; I557-K567 CarbonylContact O-C 3.59Å; I557-K567 VanDerWaalsContact O-CA 3.32Å; I557-K567 WeakPolarHBondContact O-CA 3.48Å; I557-L568 PolarHBondContact N-O 3.03Å; I557-L568 PolarHBondContact O-N 3.22Å; I557-F573 HydrophobicContact CB-CB 4.15Å; I557-F573 HydrophobicContact CB-CD2 4.01Å; I557-F573 HydrophobicContact CB-CG 4.01Å; I557-F573 HydrophobicContact CG1-CB 3.81Å; I557-F573 HydrophobicContact CG1-CD1 3.94Å; I557-F573 HydrophobicContact CG1-CD2 4.23Å; I557-F573 HydrophobicContact CG1-CG 3.72Å; I557-F573 HydrophobicContact CG2-CD1 4.49Å; I557-F573 HydrophobicContact CG2-CD2 3.64Å; I557-F573 HydrophobicContact CG2-CE2 3.77Å; I557-F573 HydrophobicContact CG2-CG 4.03Å; I557-F573 HydrophobicContact CG2-CZ 4.27Å
558	L	92	Very high	88.9	Confident	21 Å²	21	67.7 Å²	67.7	11%	0.11	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	132.2	173	177.8	58.4	0	0	0	109.5	I551 S560	I551-L558 HydrophobicContact CB-CB 4.35Å; I551-L558 HydrophobicContact CG2-CB 4.27Å; I551-L558 HydrophobicContact CG2-CD2 4.47Å; I551-L558 PolarHBondContact O-N 2.75Å; L558-S560 WeakPolarHBondContact CD1-O 3.43Å
559	L	90.7	Very high	89.1	Confident	1 Å²	1	67.8 Å²	67.8	1%	0.005	37%	0.366	C	S	.	.	S	Bend	trans	-79.8	-31.1	178.1	-66.1	-163.3	0	0	0	113.5	V566 L568 L591 F595 A623 I624 F627	L559-V566 HydrophobicContact CB-CG1 4.49Å; L559-V566 HydrophobicContact CD1-CG1 4.15Å; L559-V566 HydrophobicContact CG-CG1 4.47Å; L559-V566 PolarHBondContact N-O 3.44Å; L559-V566 VanDerWaalsContact N-O 3.11Å; L559-L568 HydrophobicContact CD2-CD1 4.37Å; L559-L591 HydrophobicContact CD1-CD2 4.29Å; L559-F595 HydrophobicContact CD1-CE2 3.54Å; L559-F595 HydrophobicContact CD1-CZ 3.65Å; L559-F595 HydrophobicContact CG-CZ 4.24Å; L559-A623 HydrophobicContact CB-CB 4.34Å; L559-I624 HydrophobicContact CD1-CG1 3.93Å; L559-F627 HydrophobicContact CB-CB 4.17Å; L559-F627 HydrophobicContact CB-CD2 4.33Å; L559-F627 HydrophobicContact CB-CG 4.43Å; L559-F627 HydrophobicContact CD2-CD1 4.47Å; L559-F627 HydrophobicContact CD2-CD2 3.68Å; L559-F627 HydrophobicContact CD2-CE2 3.91Å; L559-F627 HydrophobicContact CD2-CG 3.99Å; L559-F627 HydrophobicContact CD2-CZ 4.45Å; L559-F627 WeakPolarHBondContact O-CB 3.29Å
560	S	89.8	Confident	89.4	Confident	4 Å²	4	62.5 Å²	62.5	3%	0.028	34%	0.343	C	S	.	.			trans	-157.7	134.6	179.2	-174.8	0	0	0	0	111.8	L558 A562 H563 I626	L558-S560 WeakPolarHBondContact CD1-O 3.43Å; S560-A562 PolarHBondContact O-N 3.19Å; S560-A562 PolarHBondContact OG-N 3.03Å; S560-H563 CarbonylContact O-C 3.5Å; S560-H563 PolarHBondContact O-N 3.38Å; S560-I626 WeakPolarHBondContact OG-CD1 3.44Å; S560-I626 WeakPolarHBondContact OG-CG2 3.36Å
561	E	87.3	Confident	89.7	Confident	144 Å²	144	66.5 Å²	66.5	67%	0.673	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-32	174.9	-61.6	170.8	169.7	0	0	112.5	I551 H563	I551-E561 HydrophobicContact CD1-CG 3.52Å; I551-E561 WeakPolarHBondContact CD1-OE1 3.46Å; E561-H563 PolarHBondContact O-N 2.93Å
562	A	88.9	Confident	89.9	Confident	67 Å²	67	68 Å²	68	55%	0.554	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-16	177	0	0	0	0	0	113.8	S560 I626	S560-A562 PolarHBondContact O-N 3.19Å; S560-A562 PolarHBondContact OG-N 3.03Å; A562-I626 HydrophobicContact CB-CD1 4.31Å
563	H	89.5	Confident	90.1	Very high	49 Å²	49	64.4 Å²	64.4	23%	0.227	35%	0.353	C	S	.	.			trans	-137.9	68.3	-174.7	-62.9	-47.7	0	0	0	110.9	S560 E561 N565 V566 S619 A623	S560-H563 CarbonylContact O-C 3.5Å; S560-H563 PolarHBondContact O-N 3.38Å; E561-H563 PolarHBondContact O-N 2.93Å; H563-N565 PolarHBondContact O-N 3.31Å; H563-V566 HydrophobicContact CB-CB 4.44Å; H563-V566 HydrophobicContact CB-CG2 3.92Å; H563-V566 PolarHBondContact O-N 3.36Å; H563-S619 PolarHBondContact CD2-O 3.2Å; H563-S619 VanDerWaalsContact CD2-O 3.29Å; H563-A623 HydrophobicContact CB-CB 3.94Å
564	P	87.2	Confident	90.4	Very high	83 Å²	83	66.3 Å²	66.3	54%	0.539	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-21	-172.9	22.1	-34.5	0	0	0	114.9	V566	P564-V566 VanDerWaalsContact C-N 3.33Å
565	N	88.4	Confident	90.8	Very high	146 Å²	146	61.4 Å²	61.4	78%	0.781	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-21.4	177.1	-62.3	-11.9	0	0	0	113.1	H563 K567	H563-N565 PolarHBondContact O-N 3.31Å; N565-K567 PolarHBondContact O-N 3.46Å
566	V	91.8	Very high	91.3	Very high	4 Å²	4	58 Å²	58	2%	0.024	31%	0.305	C	S	.	.			trans	-92.9	83.4	-170.8	-169.8	0	0	0	0	110.7	L559 H563 P564 F595 V620 A623	L559-V566 HydrophobicContact CB-CG1 4.49Å; L559-V566 HydrophobicContact CD1-CG1 4.15Å; L559-V566 HydrophobicContact CG-CG1 4.47Å; L559-V566 PolarHBondContact N-O 3.44Å; L559-V566 VanDerWaalsContact N-O 3.11Å; H563-V566 HydrophobicContact CB-CB 4.44Å; H563-V566 HydrophobicContact CB-CG2 3.92Å; H563-V566 PolarHBondContact O-N 3.36Å; P564-V566 VanDerWaalsContact C-N 3.33Å; V566-F595 HydrophobicContact CG1-CD1 4.23Å; V566-F595 HydrophobicContact CG1-CE1 3.6Å; V566-F595 HydrophobicContact CG1-CE2 4.37Å; V566-F595 HydrophobicContact CG1-CZ 3.67Å; V566-V620 HydrophobicContact CG1-CB 4.48Å; V566-V620 HydrophobicContact CG1-CG1 4.44Å; V566-V620 HydrophobicContact CG1-CG2 4.19Å; V566-V620 HydrophobicContact CG2-CB 4.49Å; V566-V620 HydrophobicContact CG2-CG2 3.9Å; V566-A623 HydrophobicContact CB-CB 3.78Å; V566-A623 HydrophobicContact CG1-CB 3.75Å; V566-A623 HydrophobicContact CG2-CB 3.95Å
567	K	92.1	Very high	91.5	Very high	106 Å²	106	56.3 Å²	56.3	46%	0.461	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	153.2	-170.4	64.1	-166.3	-175.9	156.1	0	113	I557 N565	I557-K567 CarbonylContact O-C 3.59Å; I557-K567 VanDerWaalsContact O-CA 3.32Å; I557-K567 WeakPolarHBondContact O-CA 3.48Å; N565-K567 PolarHBondContact O-N 3.46Å
568	L	93	Very high	91.6	Very high	14 Å²	14	59.7 Å²	59.7	7%	0.073	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	154.7	177.1	-64.4	174.6	0	0	0	110.4	Q556 I557 L559 I572 L576 L591 F595	Q556-L568 CarbonylContact C-O 3.44Å; Q556-L568 VanDerWaalsContact CA-O 3.25Å; Q556-L568 WeakPolarHBondContact CA-O 3.49Å; Q556-L568 WeakPolarHBondContact CB-O 3.35Å; I557-L568 PolarHBondContact N-O 3.03Å; I557-L568 PolarHBondContact O-N 3.22Å; L559-L568 HydrophobicContact CD2-CD1 4.37Å; L568-I572 HydrophobicContact CD1-CG2 4.49Å; L568-I572 HydrophobicContact CD2-CG2 4.15Å; L568-L576 HydrophobicContact CD1-CD1 3.89Å; L568-L591 HydrophobicContact CD1-CD2 3.9Å; L568-F595 HydrophobicContact CD1-CE2 4.24Å; L568-F595 HydrophobicContact CD1-CZ 4.2Å; L568-F595 HydrophobicContact CD2-CE1 3.93Å; L568-F595 HydrophobicContact CD2-CE2 3.9Å; L568-F595 HydrophobicContact CD2-CZ 3.48Å; L568-F595 VanDerWaalsContact CD2-CZ 3.48Å; L568-F595 HydrophobicContact CG-CE1 4.44Å; L568-F595 HydrophobicContact CG-CE2 4.17Å; L568-F595 HydrophobicContact CG-CZ 3.66Å
569	S	92.5	Very high	91.7	Very high	43 Å²	43	63.9 Å²	63.9	30%	0.301	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	150.8	165.4	68.5	0	0	0	0	110.6	D571 I572 F573	S569-D571 PolarHBondContact O-N 3Å; S569-I572 PolarHBondContact O-N 3.35Å; S569-I572 VanDerWaalsContact O-N 3.16Å; S569-I572 WeakPolarHBondContact OG-CD1 3.25Å; S569-I572 VanDerWaalsContact OG-CG1 3.28Å; S569-I572 WeakPolarHBondContact OG-CG1 3.07Å; S569-I572 PolarHBondContact OG-N 2.96Å; S569-F573 PolarHBondContact O-N 2.89Å
570	K	91.2	Very high	91.9	Very high	67 Å²	67	63.9 Å²	63.9	29%	0.291	34%	0.336	S	S	.	.	H	α-helix	trans	-53.3	-40.7	179.6	-166.6	168.3	-162.3	159.8	0	113	E552 S555 F573 Y574	E552-K570 WeakPolarHBondContact OE1-CD 3.48Å; E552-K570 WeakPolarHBondContact OE1-CE 3.41Å; E552-K570 IonicContact OE1-NZ 3.61Å; E552-K570 PolarHBondContact OE1-NZ 3.4Å; E552-K570 VanDerWaalsContact OE2-CE 3.3Å; E552-K570 WeakPolarHBondContact OE2-CE 3.42Å; E552-K570 IonicContact OE2-NZ 2.69Å; E552-K570 PolarHBondContact OE2-NZ 3.09Å; S555-K570 PolarHBondContact O-N 2.92Å; K570-F573 PolarHBondContact O-N 2.97Å; K570-Y574 HydrophobicContact CD-CE2 4.14Å; K570-Y574 HydrophobicContact CG-CD2 3.91Å; K570-Y574 HydrophobicContact CG-CE2 3.46Å; K570-Y574 VanDerWaalsContact CG-CE2 3.46Å; K570-Y574 VanDerWaalsContact O-CD2 3.25Å; K570-Y574 WeakPolarHBondContact O-CD2 3.43Å; K570-Y574 PolarHBondContact O-N 3.31Å
571	D	92.3	Very high	91.9	Very high	132 Å²	132	67.5 Å²	67.5	71%	0.706	36%	0.361	S	S	*	.	H	α-helix	trans	-68.5	-42.8	178.5	-55.2	-48.7	0	0	0	112.7	S569 S575	S569-D571 PolarHBondContact O-N 3Å; D571-S575 WeakPolarHBondContact O-CB 3.39Å; D571-S575 PolarHBondContact O-N 2.81Å
572	I	93.8	Very high	91.9	Very high	80 Å²	80	62.4 Å²	62.4	41%	0.41	35%	0.348	S	S	.	.	H	α-helix	trans	-62.5	-47.6	174.8	-69.2	171.9	0	0	0	108.9	L568 S569 Y574 S575 L576	L568-I572 HydrophobicContact CD1-CG2 4.49Å; L568-I572 HydrophobicContact CD2-CG2 4.15Å; S569-I572 PolarHBondContact O-N 3.35Å; S569-I572 VanDerWaalsContact O-N 3.16Å; S569-I572 WeakPolarHBondContact OG-CD1 3.25Å; S569-I572 VanDerWaalsContact OG-CG1 3.28Å; S569-I572 WeakPolarHBondContact OG-CG1 3.07Å; S569-I572 PolarHBondContact OG-N 2.96Å; I572-Y574 PolarHBondContact O-N 3.17Å; I572-S575 WeakPolarHBondContact O-CB 3.26Å; I572-S575 PolarHBondContact O-N 3.01Å; I572-S575 VanDerWaalsContact O-N 3.14Å; I572-L576 HydrophobicContact CG2-CD1 4.05Å; I572-L576 HydrophobicContact CG2-CG 4.16Å; I572-L576 WeakPolarHBondContact O-CG 3.28Å; I572-L576 PolarHBondContact O-N 3.17Å
573	F	93.9	Very high	92	Very high	10 Å²	10	60.5 Å²	60.5	4%	0.044	33%	0.33	C	S	.	.	H	α-helix	trans	-53.4	-56.3	178.2	177.7	-97	0	0	0	112.2	P550 I557 S569 K570 S575 L576 I577 F627	P550-F573 HydrophobicContact CB-CE1 4.01Å; P550-F573 HydrophobicContact CB-CE2 4.4Å; P550-F573 HydrophobicContact CB-CZ 3.71Å; P550-F573 HydrophobicContact CG-CE1 4.1Å; P550-F573 HydrophobicContact CG-CZ 4.23Å; I557-F573 HydrophobicContact CB-CB 4.15Å; I557-F573 HydrophobicContact CB-CD2 4.01Å; I557-F573 HydrophobicContact CB-CG 4.01Å; I557-F573 HydrophobicContact CG1-CB 3.81Å; I557-F573 HydrophobicContact CG1-CD1 3.94Å; I557-F573 HydrophobicContact CG1-CD2 4.23Å; I557-F573 HydrophobicContact CG1-CG 3.72Å; I557-F573 HydrophobicContact CG2-CD1 4.49Å; I557-F573 HydrophobicContact CG2-CD2 3.64Å; I557-F573 HydrophobicContact CG2-CE2 3.77Å; I557-F573 HydrophobicContact CG2-CG 4.03Å; I557-F573 HydrophobicContact CG2-CZ 4.27Å; S569-F573 PolarHBondContact O-N 2.89Å; K570-F573 PolarHBondContact O-N 2.97Å; F573-S575 VanDerWaalsContact C-N 3.29Å; F573-S575 PolarHBondContact O-N 3.05Å; F573-L576 PolarHBondContact O-N 2.84Å; F573-I577 HydrophobicContact CD1-CG1 4.23Å; F573-I577 HydrophobicContact CE1-CD1 4.45Å; F573-I577 HydrophobicContact CE1-CG1 3.84Å; F573-I577 HydrophobicContact CE2-CD1 4.32Å; F573-I577 HydrophobicContact CE2-CG1 4.25Å; F573-I577 HydrophobicContact CZ-CD1 3.99Å; F573-I577 HydrophobicContact CZ-CG1 3.85Å; F573-I577 WeakPolarHBondContact O-CG1 3.29Å; F573-I577 PolarHBondContact O-N 2.84Å; F573-F627 AromaticContact CE2-CE2 3.78Å; F573-F627 HydrophobicContact CE2-CE2 3.78Å; F573-F627 AromaticContact CE2-CZ 3.57Å; F573-F627 HydrophobicContact CE2-CZ 3.57Å; F573-F627 HydrophobicContact CZ-CE2 4.36Å; F573-F627 HydrophobicContact CZ-CZ 4.12Å
574	Y	93	Very high	92.2	Very high	115 Å²	115	58.2 Å²	58.2	45%	0.451	32%	0.319	S	S	.	.	H	α-helix	trans	-64.2	-34.2	178.5	-67.9	-51.5	0	0	0	112.4	K570 I572 I577 V578	K570-Y574 HydrophobicContact CD-CE2 4.14Å; K570-Y574 HydrophobicContact CG-CD2 3.91Å; K570-Y574 HydrophobicContact CG-CE2 3.46Å; K570-Y574 VanDerWaalsContact CG-CE2 3.46Å; K570-Y574 VanDerWaalsContact O-CD2 3.25Å; K570-Y574 WeakPolarHBondContact O-CD2 3.43Å; K570-Y574 PolarHBondContact O-N 3.31Å; I572-Y574 PolarHBondContact O-N 3.17Å; Y574-I577 PolarHBondContact O-N 2.95Å; Y574-V578 WeakPolarHBondContact O-CG2 3.35Å; Y574-V578 PolarHBondContact O-N 3.31Å
575	S	94.9	Very high	92.5	Very high	46 Å²	46	55.4 Å²	55.4	32%	0.322	30%	0.301	S	S	.	.	H	α-helix	trans	-60.9	-44.3	173.6	-161.7	0	0	0	0	112	D571 I572 F573 K579	D571-S575 WeakPolarHBondContact O-CB 3.39Å; D571-S575 PolarHBondContact O-N 2.81Å; I572-S575 WeakPolarHBondContact O-CB 3.26Å; I572-S575 PolarHBondContact O-N 3.01Å; I572-S575 VanDerWaalsContact O-N 3.14Å; F573-S575 VanDerWaalsContact C-N 3.29Å; F573-S575 PolarHBondContact O-N 3.05Å; S575-K579 WeakPolarHBondContact O-CB 3.37Å; S575-K579 WeakPolarHBondContact O-CD 3.46Å; S575-K579 WeakPolarHBondContact O-CG 3.3Å; S575-K579 PolarHBondContact O-N 2.91Å; S575-K579 WeakPolarHBondContact OG-CE 3.42Å; S575-K579 PolarHBondContact OG-NZ 3.22Å
576	L	95.4	Very high	92.8	Very high	15 Å²	15	54.4 Å²	54.4	8%	0.079	29%	0.286	C	S	.	.	H	α-helix	trans	-67.7	-39.4	176.5	-59.9	179.9	0	0	0	111.7	L568 I572 F573 K579 S580 L587 L590 L591	L568-L576 HydrophobicContact CD1-CD1 3.89Å; I572-L576 HydrophobicContact CG2-CD1 4.05Å; I572-L576 HydrophobicContact CG2-CG 4.16Å; I572-L576 WeakPolarHBondContact O-CG 3.28Å; I572-L576 PolarHBondContact O-N 3.17Å; F573-L576 PolarHBondContact O-N 2.84Å; L576-K579 PolarHBondContact O-N 3.24Å; L576-S580 WeakPolarHBondContact O-CB 3.45Å; L576-S580 PolarHBondContact O-N 3.49Å; L576-L587 HydrophobicContact CB-CD1 4.37Å; L576-L590 HydrophobicContact CD2-CB 4.15Å; L576-L590 HydrophobicContact CD2-CD2 4.44Å; L576-L591 HydrophobicContact CD1-CD2 3.83Å
577	I	93.5	Very high	93	Very high	35 Å²	35	54.3 Å²	54.3	18%	0.179	29%	0.285	C	S	.	.	H	α-helix	trans	-61.4	-49.3	175.8	-66.8	-70.4	0	0	0	110.7	F573 Y574 S580 L587	F573-I577 HydrophobicContact CD1-CG1 4.23Å; F573-I577 HydrophobicContact CE1-CD1 4.45Å; F573-I577 HydrophobicContact CE1-CG1 3.84Å; F573-I577 HydrophobicContact CE2-CD1 4.32Å; F573-I577 HydrophobicContact CE2-CG1 4.25Å; F573-I577 HydrophobicContact CZ-CD1 3.99Å; F573-I577 HydrophobicContact CZ-CG1 3.85Å; F573-I577 WeakPolarHBondContact O-CG1 3.29Å; F573-I577 PolarHBondContact O-N 2.84Å; Y574-I577 PolarHBondContact O-N 2.95Å; I577-S580 PolarHBondContact O-N 2.99Å; I577-S580 PolarHBondContact O-OG 2.67Å; I577-L587 HydrophobicContact CD1-CD1 4.16Å; I577-L587 HydrophobicContact CD1-CD2 4.07Å
578	V	92.9	Very high	93.2	Very high	72 Å²	72	49.2 Å²	49.2	44%	0.436	26%	0.263	S	S	.	.	H	α-helix	trans	-63.1	-49.2	175.8	174.7	0	0	0	0	111.1	Y574 S580 S581	Y574-V578 WeakPolarHBondContact O-CG2 3.35Å; Y574-V578 PolarHBondContact O-N 3.31Å; V578-S580 PolarHBondContact O-N 2.81Å; V578-S580 VanDerWaalsContact O-N 3.11Å; V578-S581 PolarHBondContact O-N 2.77Å
579	K	94	Very high	93.4	Very high	109 Å²	109	50.4 Å²	50.4	47%	0.474	27%	0.267	S	S	.	.	H	α-helix	trans	-60.3	-21.7	178.3	-75.5	165.9	177.9	157.4	0	113.9	S575 L576 S581 R586 L590	S575-K579 WeakPolarHBondContact O-CB 3.37Å; S575-K579 WeakPolarHBondContact O-CD 3.46Å; S575-K579 WeakPolarHBondContact O-CG 3.3Å; S575-K579 PolarHBondContact O-N 2.91Å; S575-K579 WeakPolarHBondContact OG-CE 3.42Å; S575-K579 PolarHBondContact OG-NZ 3.22Å; L576-K579 PolarHBondContact O-N 3.24Å; K579-S581 VanDerWaalsContact C-N 3.29Å; K579-R586 PolarHBondContact O-NE 2.92Å; K579-R586 PolarHBondContact O-NH2 3.28Å; K579-L590 HydrophobicContact CB-CD1 3.75Å; K579-L590 HydrophobicContact CB-CD2 4.42Å
580	S	93.5	Very high	93.6	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-17.4	175.2	75.8	0	0	0	0	113.8	L576 I577 V578 G582 S583 R586	L576-S580 WeakPolarHBondContact O-CB 3.45Å; L576-S580 PolarHBondContact O-N 3.49Å; I577-S580 PolarHBondContact O-N 2.99Å; I577-S580 PolarHBondContact O-OG 2.67Å; V578-S580 PolarHBondContact O-N 2.81Å; V578-S580 VanDerWaalsContact O-N 3.11Å; S580-G582 PolarHBondContact O-N 3.25Å; S580-G582 VanDerWaalsContact O-N 3.15Å; S580-S583 PolarHBondContact O-N 2.72Å; S580-R586 WeakPolarHBondContact O-CD 3.32Å
581	S	90.4	Very high	93.9	Very high	81 Å²	81	46.5 Å²	46.5	57%	0.566	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.9	33.3	-178.8	-46.1	0	0	0	0	112.9	V578 K579 S583	V578-S581 PolarHBondContact O-N 2.77Å; K579-S581 VanDerWaalsContact C-N 3.29Å; S581-S583 VanDerWaalsContact C-N 3.26Å; S581-S583 PolarHBondContact O-N 3.41Å
582	G	86.8	Confident	94.1	Very high	37 Å²	37	40.2 Å²	40.2	38%	0.381	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.5	-17.3	-175.3	0	0	0	0	0	115.4	S580 A584	S580-G582 PolarHBondContact O-N 3.25Å; S580-G582 VanDerWaalsContact O-N 3.15Å; G582-A584 PolarHBondContact O-N 3Å
583	S	92.3	Very high	94.1	Very high	27 Å²	27	37.7 Å²	37.7	19%	0.189	20%	0.198	C	C	.	.			trans	-74.2	124	-174.8	175.6	0	0	0	0	113.1	N542 S580 S581 R586 L587	N542-S583 VanDerWaalsContact OD1-CA 3.25Å; N542-S583 WeakPolarHBondContact OD1-CA 3.42Å; S580-S583 PolarHBondContact O-N 2.72Å; S581-S583 VanDerWaalsContact C-N 3.26Å; S581-S583 PolarHBondContact O-N 3.41Å; S583-R586 PolarHBondContact O-N 3.28Å; S583-R586 PolarHBondContact OG-N 3.34Å; S583-L587 PolarHBondContact O-N 3.44Å
584	A	92.9	Very high	94.2	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-62.4	-43.8	179.3	0	0	0	0	0	112.1	N542 G582 L587 I588 H632 L635	N542-A584 PolarHBondContact OD1-N 2.94Å; G582-A584 PolarHBondContact O-N 3Å; A584-L587 WeakPolarHBondContact O-CB 3.37Å; A584-L587 PolarHBondContact O-N 2.77Å; A584-I588 WeakPolarHBondContact O-CG1 3.37Å; A584-I588 PolarHBondContact O-N 2.95Å; A584-H632 HydrophobicContact CB-CB 4.32Å; A584-L635 HydrophobicContact CB-CD2 3.94Å
585	T	93.9	Very high	94.2	Very high	24 Å²	24	36.4 Å²	36.4	15%	0.147	20%	0.201	C	C	.	.	H	α-helix	trans	-73.2	-29.2	177.1	63.8	0	0	0	0	112.9	T537 L587 I588 R589 C643	T537-T585 HydrophobicContact CG2-CG2 3.39Å; T585-L587 VanDerWaalsContact C-N 3.34Å; T585-I588 PolarHBondContact O-N 3.33Å; T585-R589 WeakPolarHBondContact O-CG 3.42Å; T585-R589 PolarHBondContact O-N 2.73Å; T585-R589 VanDerWaalsContact O-N 3.11Å; T585-R589 PolarHBondContact O-NH1 2.96Å; T585-R589 PolarHBondContact OG1-NH1 3.39Å; T585-C643 HydrophobicContact CG2-CB 4.41Å
586	R	95.1	Very high	94.3	Very high	125 Å²	125	35 Å²	35	47%	0.472	19%	0.189	S	C	.	.	H	α-helix	trans	-67.3	-38.4	171	-165	167.3	158.7	134.7	-10.2	110.7	K579 S580 S583 R589 L590	K579-R586 PolarHBondContact O-NE 2.92Å; K579-R586 PolarHBondContact O-NH2 3.28Å; S580-R586 WeakPolarHBondContact O-CD 3.32Å; S583-R586 PolarHBondContact O-N 3.28Å; S583-R586 PolarHBondContact OG-N 3.34Å; R586-R589 PolarHBondContact O-N 3.38Å; R586-L590 HydrophobicContact CG-CD1 4.22Å; R586-L590 WeakPolarHBondContact O-CB 3.42Å; R586-L590 WeakPolarHBondContact O-CD1 3.11Å; R586-L590 VanDerWaalsContact O-CG 3.24Å; R586-L590 WeakPolarHBondContact O-CG 3.19Å; R586-L590 PolarHBondContact O-N 3.08Å
587	L	96.2	Very high	94.2	Very high	2 Å²	2	38 Å²	38	1%	0.01	21%	0.208	C	C	.	.	H	α-helix	trans	-64.2	-43.2	173.2	-171.6	61.8	0	0	0	112.6	L576 I577 S583 A584 T585 R589 L590 L591 F627 I628	L576-L587 HydrophobicContact CB-CD1 4.37Å; I577-L587 HydrophobicContact CD1-CD1 4.16Å; I577-L587 HydrophobicContact CD1-CD2 4.07Å; S583-L587 PolarHBondContact O-N 3.44Å; A584-L587 WeakPolarHBondContact O-CB 3.37Å; A584-L587 PolarHBondContact O-N 2.77Å; T585-L587 VanDerWaalsContact C-N 3.34Å; L587-R589 PolarHBondContact O-N 2.8Å; L587-L590 PolarHBondContact O-N 3.47Å; L587-L591 HydrophobicContact CD1-CD1 4.35Å; L587-L591 HydrophobicContact CD1-CG 4.31Å; L587-L591 HydrophobicContact CG-CD1 3.97Å; L587-L591 HydrophobicContact CG-CG 4.38Å; L587-L591 WeakPolarHBondContact O-CB 3.43Å; L587-L591 WeakPolarHBondContact O-CG 3.41Å; L587-L591 PolarHBondContact O-N 2.91Å; L587-F627 HydrophobicContact CD2-CE1 4.08Å; L587-I628 HydrophobicContact CB-CD1 4.39Å; L587-I628 HydrophobicContact CD2-CD1 3.89Å; L587-I628 HydrophobicContact CG-CD1 4.06Å
588	I	96.8	Very high	94.2	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-56.3	-50.5	173.4	-66.6	161.7	0	0	0	110.6	A584 T585 L590 L591 M592 I628 L635 I640 C643 M644	A584-I588 WeakPolarHBondContact O-CG1 3.37Å; A584-I588 PolarHBondContact O-N 2.95Å; T585-I588 PolarHBondContact O-N 3.33Å; I588-L590 VanDerWaalsContact C-N 3.27Å; I588-L590 PolarHBondContact O-N 3.34Å; I588-L591 PolarHBondContact O-N 3.04Å; I588-M592 HydrophobicContact CG2-CG 4.27Å; I588-M592 WeakPolarHBondContact O-CB 3.2Å; I588-M592 VanDerWaalsContact O-CG 3.26Å; I588-M592 WeakPolarHBondContact O-CG 3.49Å; I588-M592 PolarHBondContact O-N 2.8Å; I588-I628 HydrophobicContact CD1-CG2 4.17Å; I588-I628 HydrophobicContact CG1-CD1 3.86Å; I588-I628 HydrophobicContact CG1-CG1 3.86Å; I588-I628 HydrophobicContact CG1-CG2 4.2Å; I588-L635 HydrophobicContact CD1-CD2 3.96Å; I588-I640 HydrophobicContact CD1-CB 4.33Å; I588-I640 HydrophobicContact CD1-CG1 4.21Å; I588-I640 HydrophobicContact CD1-CG2 4.04Å; I588-C643 HydrophobicContact CD1-CB 4.16Å; I588-C643 HydrophobicContact CG2-CB 4.14Å; I588-M644 HydrophobicContact CG2-CG 3.87Å
589	R	96.6	Very high	94.2	Very high	39 Å²	39	39.8 Å²	39.8	15%	0.147	21%	0.214	C	C	.	.	H	α-helix	trans	-59.9	-37.6	178.8	-66.1	-174.9	-175.8	88.5	-7.9	112.3	T585 R586 L587 K593 V647	T585-R589 WeakPolarHBondContact O-CG 3.42Å; T585-R589 PolarHBondContact O-N 2.73Å; T585-R589 VanDerWaalsContact O-N 3.11Å; T585-R589 PolarHBondContact O-NH1 2.96Å; T585-R589 PolarHBondContact OG1-NH1 3.39Å; R586-R589 PolarHBondContact O-N 3.38Å; L587-R589 PolarHBondContact O-N 2.8Å; R589-K593 WeakPolarHBondContact O-CB 3.44Å; R589-K593 WeakPolarHBondContact O-CD 3.13Å; R589-K593 WeakPolarHBondContact O-CG 3.44Å; R589-K593 PolarHBondContact O-N 3.47Å; R589-V647 HydrophobicContact CB-CG2 4.04Å; R589-V647 HydrophobicContact CG-CG2 3.64Å
590	L	96.6	Very high	94.1	Very high	25 Å²	25	38.4 Å²	38.4	13%	0.131	21%	0.209	C	C	.	.	H	α-helix	trans	-71.2	-41.9	178.4	-77.4	168.6	0	0	0	112.8	L576 K579 R586 L587 I588 K593 S594	L576-L590 HydrophobicContact CD2-CB 4.15Å; L576-L590 HydrophobicContact CD2-CD2 4.44Å; K579-L590 HydrophobicContact CB-CD1 3.75Å; K579-L590 HydrophobicContact CB-CD2 4.42Å; R586-L590 HydrophobicContact CG-CD1 4.22Å; R586-L590 WeakPolarHBondContact O-CB 3.42Å; R586-L590 WeakPolarHBondContact O-CD1 3.11Å; R586-L590 VanDerWaalsContact O-CG 3.24Å; R586-L590 WeakPolarHBondContact O-CG 3.19Å; R586-L590 PolarHBondContact O-N 3.08Å; L587-L590 PolarHBondContact O-N 3.47Å; I588-L590 VanDerWaalsContact C-N 3.27Å; I588-L590 PolarHBondContact O-N 3.34Å; L590-K593 CarbonylContact O-C 3.47Å; L590-K593 PolarHBondContact O-N 3.14Å; L590-S594 PolarHBondContact O-N 3.03Å; L590-S594 VanDerWaalsContact O-N 3.11Å
591	L	96.4	Very high	94.3	Very high	3 Å²	3	38.5 Å²	38.5	2%	0.016	21%	0.209	C	C	.	.	H	α-helix	trans	-66.8	-47.1	176.4	-72.9	168	0	0	0	111.7	L559 L568 L576 L587 I588 K593 S594 F595 I624 F627 I628	L559-L591 HydrophobicContact CD1-CD2 4.29Å; L568-L591 HydrophobicContact CD1-CD2 3.9Å; L576-L591 HydrophobicContact CD1-CD2 3.83Å; L587-L591 HydrophobicContact CD1-CD1 4.35Å; L587-L591 HydrophobicContact CD1-CG 4.31Å; L587-L591 HydrophobicContact CG-CD1 3.97Å; L587-L591 HydrophobicContact CG-CG 4.38Å; L587-L591 WeakPolarHBondContact O-CB 3.43Å; L587-L591 WeakPolarHBondContact O-CG 3.41Å; L587-L591 PolarHBondContact O-N 2.91Å; I588-L591 PolarHBondContact O-N 3.04Å; L591-K593 PolarHBondContact O-N 3.32Å; L591-K593 VanDerWaalsContact O-N 3.11Å; L591-S594 PolarHBondContact O-N 3.38Å; L591-S594 PolarHBondContact O-OG 3.13Å; L591-F595 HydrophobicContact CD2-CE2 4.36Å; L591-F595 WeakPolarHBondContact O-CD2 3.4Å; L591-F595 PolarHBondContact O-N 3.43Å; L591-I624 HydrophobicContact CB-CD1 4.26Å; L591-I624 HydrophobicContact CB-CG1 4.38Å; L591-I624 HydrophobicContact CB-CG2 4.21Å; L591-I624 HydrophobicContact CD1-CG2 4.1Å; L591-F627 HydrophobicContact CD1-CD1 3.91Å; L591-F627 HydrophobicContact CD1-CE1 4.04Å; L591-I628 HydrophobicContact CD1-CD1 4.06Å; L591-I628 HydrophobicContact CD1-CG1 4.4Å
592	M	96.6	Very high	94.4	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-54.1	-35.5	175.9	-69.7	-70.1	-70.1	0	0	111.7	I588 F596 L601 L616 I624 M644 V647	I588-M592 HydrophobicContact CG2-CG 4.27Å; I588-M592 WeakPolarHBondContact O-CB 3.2Å; I588-M592 VanDerWaalsContact O-CG 3.26Å; I588-M592 WeakPolarHBondContact O-CG 3.49Å; I588-M592 PolarHBondContact O-N 2.8Å; M592-F596 HydrophobicContact CE-CD2 4.18Å; M592-F596 HydrophobicContact CE-CE2 4.17Å; M592-F596 WeakPolarHBondContact O-CB 3.41Å; M592-F596 WeakPolarHBondContact O-CD2 3.29Å; M592-F596 PolarHBondContact O-N 2.72Å; M592-F596 VanDerWaalsContact O-N 3.1Å; M592-F596 HydrophobicContact SD-CD2 4.38Å; M592-F596 HydrophobicContact SD-CE2 4.16Å; M592-L601 HydrophobicContact CE-CD2 4.02Å; M592-L616 HydrophobicContact CE-CD1 3.54Å; M592-I624 HydrophobicContact SD-CD1 4.09Å; M592-M644 HydrophobicContact CE-CB 3.99Å; M592-M644 HydrophobicContact CE-CG 4.18Å; M592-M644 HydrophobicContact CG-CG 4.19Å; M592-M644 HydrophobicContact SD-CB 4.25Å; M592-M644 HydrophobicContact SD-CE 4.06Å; M592-M644 HydrophobicContact SD-CG 3.75Å; M592-M644 HydrophobicContact SD-SD 4.21Å; M592-V647 HydrophobicContact CB-CG1 4.06Å; M592-V647 HydrophobicContact CB-CG2 4.42Å
593	K	95.5	Very high	94.7	Very high	27 Å²	27	35.5 Å²	35.5	12%	0.117	19%	0.186	C	C	.	.	H	α-helix	trans	-92.7	6.3	-179.9	-72	171.1	143.1	-149.6	0	114.8	Q371 Q373 R589 L590 L591 L601 V647	Q371-K593 VanDerWaalsContact OE1-CE 3.3Å; Q373-K593 VanDerWaalsContact OE1-CE 3.28Å; R589-K593 WeakPolarHBondContact O-CB 3.44Å; R589-K593 WeakPolarHBondContact O-CD 3.13Å; R589-K593 WeakPolarHBondContact O-CG 3.44Å; R589-K593 PolarHBondContact O-N 3.47Å; L590-K593 CarbonylContact O-C 3.47Å; L590-K593 PolarHBondContact O-N 3.14Å; L591-K593 PolarHBondContact O-N 3.32Å; L591-K593 VanDerWaalsContact O-N 3.11Å; K593-L601 HydrophobicContact CG-CD1 3.77Å; K593-V647 HydrophobicContact CD-CG1 4.42Å; K593-V647 HydrophobicContact CG-CG1 4.22Å
594	S	94.2	Very high	94.7	Very high	44 Å²	44	34.3 Å²	34.3	31%	0.308	18%	0.177	S	C	.	.	H	α-helix	trans	-102.5	-21.8	166.2	66.5	0	0	0	0	113.1	L590 L591	L590-S594 PolarHBondContact O-N 3.03Å; L590-S594 VanDerWaalsContact O-N 3.11Å; L591-S594 PolarHBondContact O-N 3.38Å; L591-S594 PolarHBondContact O-OG 3.13Å
595	F	94.7	Very high	94.8	Very high	54 Å²	54	35 Å²	35	24%	0.237	18%	0.182	C	C	.	.	H	α-helix	trans	-100.9	-33.8	175.5	-67.8	-81.4	0	0	0	114	L559 V566 L568 L591 V620 I624	L559-F595 HydrophobicContact CD1-CE2 3.54Å; L559-F595 HydrophobicContact CD1-CZ 3.65Å; L559-F595 HydrophobicContact CG-CZ 4.24Å; V566-F595 HydrophobicContact CG1-CD1 4.23Å; V566-F595 HydrophobicContact CG1-CE1 3.6Å; V566-F595 HydrophobicContact CG1-CE2 4.37Å; V566-F595 HydrophobicContact CG1-CZ 3.67Å; L568-F595 HydrophobicContact CD1-CE2 4.24Å; L568-F595 HydrophobicContact CD1-CZ 4.2Å; L568-F595 HydrophobicContact CD2-CE1 3.93Å; L568-F595 HydrophobicContact CD2-CE2 3.9Å; L568-F595 HydrophobicContact CD2-CZ 3.48Å; L568-F595 VanDerWaalsContact CD2-CZ 3.48Å; L568-F595 HydrophobicContact CG-CE1 4.44Å; L568-F595 HydrophobicContact CG-CE2 4.17Å; L568-F595 HydrophobicContact CG-CZ 3.66Å; L591-F595 HydrophobicContact CD2-CE2 4.36Å; L591-F595 WeakPolarHBondContact O-CD2 3.4Å; L591-F595 PolarHBondContact O-N 3.43Å; F595-V620 HydrophobicContact CB-CG1 3.65Å; F595-V620 HydrophobicContact CD1-CG1 4.24Å; F595-V620 HydrophobicContact CD2-CG1 4.21Å; F595-V620 HydrophobicContact CG-CG1 3.78Å; F595-I624 HydrophobicContact CD2-CD1 3.97Å; F595-I624 HydrophobicContact CD2-CG1 4.48Å; F595-I624 HydrophobicContact CE2-CD1 4.44Å; F595-I624 HydrophobicContact CE2-CG1 4.49Å
596	F	95.7	Very high	94.6	Very high	17 Å²	17	34.9 Å²	34.9	8%	0.075	18%	0.181	C	C	.	.	S	Bend	trans	-112.6	139.6	-178.6	-54.7	-65.4	0	0	0	111.6	M592 L601 L616 E617 V620 T621	M592-F596 HydrophobicContact CE-CD2 4.18Å; M592-F596 HydrophobicContact CE-CE2 4.17Å; M592-F596 WeakPolarHBondContact O-CB 3.41Å; M592-F596 WeakPolarHBondContact O-CD2 3.29Å; M592-F596 PolarHBondContact O-N 2.72Å; M592-F596 VanDerWaalsContact O-N 3.1Å; M592-F596 HydrophobicContact SD-CD2 4.38Å; M592-F596 HydrophobicContact SD-CE2 4.16Å; F596-L601 HydrophobicContact CB-CD1 4.16Å; F596-L601 HydrophobicContact CB-CD2 3.77Å; F596-L601 HydrophobicContact CB-CG 3.66Å; F596-L601 HydrophobicContact CD2-CD2 4.01Å; F596-L601 HydrophobicContact CG-CD2 4.21Å; F596-L616 HydrophobicContact CD1-CD2 3.97Å; F596-L616 HydrophobicContact CD2-CD1 4.41Å; F596-L616 HydrophobicContact CD2-CD2 4.18Å; F596-L616 HydrophobicContact CE1-CB 4.44Å; F596-L616 HydrophobicContact CE1-CD2 4.08Å; F596-L616 HydrophobicContact CE2-CB 4.44Å; F596-L616 HydrophobicContact CE2-CD1 4.19Å; F596-L616 HydrophobicContact CE2-CD2 4.28Å; F596-L616 HydrophobicContact CG-CD2 4.02Å; F596-L616 HydrophobicContact CZ-CB 4.06Å; F596-L616 HydrophobicContact CZ-CD2 4.22Å; F596-E617 HydrophobicContact CE1-CB 4.09Å; F596-E617 HydrophobicContact CZ-CB 4.36Å; F596-V620 HydrophobicContact CE1-CB 4.4Å; F596-V620 HydrophobicContact CE1-CG1 4.21Å; F596-V620 HydrophobicContact CE2-CB 4.5Å; F596-V620 HydrophobicContact CE2-CG1 3.72Å; F596-V620 HydrophobicContact CZ-CB 3.79Å; F596-V620 HydrophobicContact CZ-CG1 3.46Å; F596-V620 VanDerWaalsContact CZ-CG1 3.46Å; F596-T621 HydrophobicContact CE2-CG2 3.97Å; F596-T621 HydrophobicContact CZ-CG2 3.94Å
597	T	94.1	Very high	94.3	Very high	78 Å²	78	31.5 Å²	31.5	48%	0.479	18%	0.176	S	C	.	.			trans	-70.3	163.5	172.5	64.9	0	0	0	0	111.7	D599 E600 L601	T597-D599 VanDerWaalsContact C-N 3.28Å; T597-D599 PolarHBondContact O-N 2.84Å; T597-E600 VanDerWaalsContact CB-OE2 3.27Å; T597-E600 WeakPolarHBondContact CB-OE2 3.4Å; T597-E600 WeakPolarHBondContact CG2-OE2 3.43Å; T597-E600 PolarHBondContact N-OE2 3.48Å; T597-E600 PolarHBondContact O-N 3.23Å; T597-E600 VanDerWaalsContact OG1-CD 3.28Å; T597-E600 VanDerWaalsContact OG1-CG 3.26Å; T597-E600 WeakPolarHBondContact OG1-CG 3.38Å; T597-E600 PolarHBondContact OG1-N 2.86Å; T597-E600 PolarHBondContact OG1-OE2 3.45Å; T597-L601 WeakPolarHBondContact O-CB 3.39Å; T597-L601 VanDerWaalsContact O-CG 3.3Å; T597-L601 WeakPolarHBondContact O-CG 3.37Å; T597-L601 PolarHBondContact O-N 3.43Å
598	Q	92.8	Very high	93.9	Very high	44 Å²	44	32.3 Å²	32.3	21%	0.206	19%	0.185	C	C	.	.	H	α-helix	trans	-61	-37	177.4	-176.3	171.5	-73.3	0	0	112.3	A602 A651	Q598-A602 VanDerWaalsContact O-CB 3.29Å; Q598-A602 WeakPolarHBondContact O-CB 3.36Å; Q598-A602 PolarHBondContact O-N 3.43Å; Q598-A651 HydrophobicContact CG-CB 4.46Å
599	D	92.6	Very high	93.3	Very high	99 Å²	99	39 Å²	39	53%	0.529	22%	0.216	S	C	.	.	H	α-helix	trans	-74.2	-37.8	-179.2	-69	-63.9	0	0	0	112.5	T597 A602 A603	T597-D599 VanDerWaalsContact C-N 3.28Å; T597-D599 PolarHBondContact O-N 2.84Å; D599-A602 PolarHBondContact O-N 3.02Å; D599-A603 WeakPolarHBondContact O-CB 3.5Å; D599-A603 PolarHBondContact O-N 3.41Å
600	E	93.7	Very high	92.7	Very high	81 Å²	81	40.4 Å²	40.4	38%	0.379	24%	0.242	S	C	.	.	H	α-helix	trans	-62.9	-44.9	171.5	-70.8	164.4	125.8	0	0	111.6	T597 A602 A603 S604	T597-E600 VanDerWaalsContact CB-OE2 3.27Å; T597-E600 WeakPolarHBondContact CB-OE2 3.4Å; T597-E600 WeakPolarHBondContact CG2-OE2 3.43Å; T597-E600 PolarHBondContact N-OE2 3.48Å; T597-E600 PolarHBondContact O-N 3.23Å; T597-E600 VanDerWaalsContact OG1-CD 3.28Å; T597-E600 VanDerWaalsContact OG1-CG 3.26Å; T597-E600 WeakPolarHBondContact OG1-CG 3.38Å; T597-E600 PolarHBondContact OG1-N 2.86Å; T597-E600 PolarHBondContact OG1-OE2 3.45Å; E600-A602 PolarHBondContact O-N 3.21Å; E600-A603 PolarHBondContact O-N 3.46Å; E600-S604 WeakPolarHBondContact O-CB 3.4Å; E600-S604 PolarHBondContact O-N 3.22Å; E600-S604 PolarHBondContact O-OG 2.81Å
601	L	95.8	Very high	92.1	Very high	1 Å²	1	46.1 Å²	46.1	1%	0.005	27%	0.271	C	S	.	.	H	α-helix	trans	-63.6	-30.6	174.8	-70	169.2	0	0	0	112.2	M592 K593 F596 T597 L616 V647 C648 A651	M592-L601 HydrophobicContact CE-CD2 4.02Å; K593-L601 HydrophobicContact CG-CD1 3.77Å; F596-L601 HydrophobicContact CB-CD1 4.16Å; F596-L601 HydrophobicContact CB-CD2 3.77Å; F596-L601 HydrophobicContact CB-CG 3.66Å; F596-L601 HydrophobicContact CD2-CD2 4.01Å; F596-L601 HydrophobicContact CG-CD2 4.21Å; T597-L601 WeakPolarHBondContact O-CB 3.39Å; T597-L601 VanDerWaalsContact O-CG 3.3Å; T597-L601 WeakPolarHBondContact O-CG 3.37Å; T597-L601 PolarHBondContact O-N 3.43Å; L601-L616 HydrophobicContact CD2-CD1 4.22Å; L601-L616 HydrophobicContact CD2-CD2 4.31Å; L601-V647 HydrophobicContact CD1-CG1 3.93Å; L601-V647 HydrophobicContact CD2-CG1 4.1Å; L601-C648 WeakPolarHBondContact O-CA 3.29Å; L601-C648 WeakPolarHBondContact O-CB 3.5Å; L601-A651 HydrophobicContact CB-CB 3.57Å
602	A	93.5	Very high	91.5	Very high	12 Å²	12	49.9 Å²	49.9	10%	0.099	29%	0.286	C	S	.	.	H	α-helix	trans	-76.1	-41.2	175.7	0	0	0	0	0	112.4	Q598 D599 E600 A651 R652 A655	Q598-A602 VanDerWaalsContact O-CB 3.29Å; Q598-A602 WeakPolarHBondContact O-CB 3.36Å; Q598-A602 PolarHBondContact O-N 3.43Å; D599-A602 PolarHBondContact O-N 3.02Å; E600-A602 PolarHBondContact O-N 3.21Å; A602-A651 HydrophobicContact CB-CB 4.28Å; A602-R652 HydrophobicContact CB-CG 4.24Å; A602-R652 WeakPolarHBondContact O-CD 3.43Å; A602-R652 WeakPolarHBondContact O-CG 3.17Å; A602-R652 PolarHBondContact O-NH1 2.92Å; A602-A655 HydrophobicContact CB-CB 3.93Å
603	A	92.2	Very high	90.9	Very high	43 Å²	43	58.5 Å²	58.5	36%	0.355	32%	0.324	S	S	.	.	H	α-helix	trans	-74.4	-33	-180	0	0	0	0	0	113.2	D599 E600	D599-A603 WeakPolarHBondContact O-CB 3.5Å; D599-A603 PolarHBondContact O-N 3.41Å; E600-A603 PolarHBondContact O-N 3.46Å
604	S	93.7	Very high	90.6	Very high	2 Å²	2	62.1 Å²	62.1	1%	0.014	34%	0.341	C	S	.	.			trans	-99.8	163.7	-165.1	-48.8	0	0	0	0	115.2	E600 Q614 R652	E600-S604 WeakPolarHBondContact O-CB 3.4Å; E600-S604 PolarHBondContact O-N 3.22Å; E600-S604 PolarHBondContact O-OG 2.81Å; S604-Q614 CarbonylContact C-O 3.35Å; S604-Q614 WeakPolarHBondContact CA-O 3.44Å; S604-Q614 WeakPolarHBondContact CB-O 3.2Å; S604-Q614 WeakPolarHBondContact OG-CG 3.45Å; S604-R652 PolarHBondContact O-NH1 3.26Å; S604-R652 PolarHBondContact O-NH2 3.47Å
605	S	93.5	Very high	90.6	Very high	14 Å²	14	66.2 Å²	66.2	10%	0.098	35%	0.349	C	S	.	.	B	Isolated β-bridge	trans	-126	165.3	168.1	67.7	0	0	0	0	111.6	G608 E609 Y612 Q614 R615 L616	S605-G608 WeakPolarHBondContact OG-CA 3.28Å; S605-G608 PolarHBondContact OG-N 3.18Å; S605-E609 PolarHBondContact OG-N 2.94Å; S605-Y612 PolarHBondContact OG-O 2.93Å; S605-Q614 PolarHBondContact N-O 3.01Å; S605-R615 WeakPolarHBondContact O-CA 3.45Å; S605-L616 PolarHBondContact O-N 3.35Å
606	L	91.3	Very high	90.5	Very high	22 Å²	22	63.8 Å²	63.8	12%	0.115	34%	0.339	C	S	.	.	S	Bend	trans	-70.1	-30.9	-177.5	-170	60.7	0	0	0	112.8	R615 T621 N641 M644	L606-R615 PolarHBondContact O-NE 3.48Å; L606-T621 HydrophobicContact CD1-CG2 3.86Å; L606-N641 HydrophobicContact CD2-CB 3.87Å; L606-M644 HydrophobicContact CD1-CB 4.33Å; L606-M644 HydrophobicContact CD1-SD 4.04Å; L606-M644 HydrophobicContact CD2-CB 4.08Å; L606-M644 HydrophobicContact CD2-SD 4.43Å
607	S	89.1	Confident	90.4	Very high	55 Å²	55	67.4 Å²	67.4	39%	0.385	36%	0.356	S	S	.	.	S	Bend	trans	-103.9	-20.2	177.8	60.3	0	0	0	0	114.8	E609 R615	S607-E609 WeakPolarHBondContact CB-OE2 3.49Å; S607-E609 WeakPolarHBondContact OG-CB 3.5Å; S607-E609 WeakPolarHBondContact OG-CG 3.42Å; S607-E609 PolarHBondContact OG-OE2 3.39Å; S607-R615 WeakPolarHBondContact O-CD 3.39Å
608	G	87.4	Confident	90.4	Very high	18 Å²	18	66.6 Å²	66.6	19%	0.186	35%	0.352	C	S	.	.	S	Bend	trans	83.3	13.5	-171.2	0	0	0	0	0	113.7	S605 Y612 K613	S605-G608 WeakPolarHBondContact OG-CA 3.28Å; S605-G608 PolarHBondContact OG-N 3.18Å; G608-Y612 CarbonylContact C-O 3.56Å; G608-K613 WeakPolarHBondContact O-CA 3.48Å
609	E	84.4	Confident	90.4	Very high	142 Å²	142	66.5 Å²	66.5	66%	0.664	36%	0.356	S	S	*	.			trans	-103.9	163.3	-171.1	-61.8	168.4	135	0	0	113.5	S605 S607	S605-E609 PolarHBondContact OG-N 2.94Å; S607-E609 WeakPolarHBondContact CB-OE2 3.49Å; S607-E609 WeakPolarHBondContact OG-CB 3.5Å; S607-E609 WeakPolarHBondContact OG-CG 3.42Å; S607-E609 PolarHBondContact OG-OE2 3.39Å
610	G	82.6	Confident	90.5	Very high	67 Å²	67	62.2 Å²	62.2	69%	0.691	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.1	-135.3	-179.2	0	0	0	0	0	112.5
611	I	83.7	Confident	90.6	Very high	145 Å²	145	58.4 Å²	58.4	74%	0.744	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.3	-14.9	-174.9	63.4	172.5	0	0	0	114
612	Y	85.5	Confident	90.5	Very high	83 Å²	83	61.6 Å²	61.6	33%	0.325	33%	0.331	S	S	.	.			trans	-112.3	79.6	-179.5	-61.1	-64.8	0	0	0	109.8	S605 G608 Q614 R652	S605-Y612 PolarHBondContact OG-O 2.93Å; G608-Y612 CarbonylContact C-O 3.56Å; Y612-Q614 PolarHBondContact O-N 3.23Å; Y612-R652 VanDerWaalsContact CE2-CD 3.48Å; Y612-R652 WeakPolarHBondContact OH-CD 3.28Å
613	K	82.3	Confident	90.6	Very high	181 Å²	181	61 Å²	61	79%	0.787	33%	0.326	S	S	*	.			trans	-64.6	-21.3	-175.1	-67.1	-168.7	177.1	-172.1	0	114.8	G608 R615	G608-K613 WeakPolarHBondContact O-CA 3.48Å; K613-R615 PolarHBondContact O-N 3Å
614	Q	90.3	Very high	90.8	Very high	103 Å²	103	59 Å²	59	48%	0.481	31%	0.309	S	S	.	.	P	Polyproline II helix	trans	-71.6	120.4	174.5	-171.8	175.2	-4.2	0	0	108.8	S604 S605 Y612	S604-Q614 CarbonylContact C-O 3.35Å; S604-Q614 WeakPolarHBondContact CA-O 3.44Å; S604-Q614 WeakPolarHBondContact CB-O 3.2Å; S604-Q614 WeakPolarHBondContact OG-CG 3.45Å; S605-Q614 PolarHBondContact N-O 3.01Å; Y612-Q614 PolarHBondContact O-N 3.23Å
615	R	93	Very high	90.8	Very high	129 Å²	129	59.5 Å²	59.5	49%	0.487	31%	0.311	S	S	.	.	B	Isolated β-bridge	trans	-89.4	137.6	174	-166.3	178.3	174.7	179.8	-9.1	109.2	S605 L606 S607 K613	S605-R615 WeakPolarHBondContact O-CA 3.45Å; L606-R615 PolarHBondContact O-NE 3.48Å; S607-R615 WeakPolarHBondContact O-CD 3.39Å; K613-R615 PolarHBondContact O-N 3Å
616	L	94.4	Very high	90.9	Very high	3 Å²	3	61.5 Å²	61.5	2%	0.016	32%	0.32	C	S	.	.	P	Polyproline II helix	trans	-61.5	151.9	166.5	-70.9	177.5	0	0	0	110.7	M592 F596 L601 S605 P618 T621	M592-L616 HydrophobicContact CE-CD1 3.54Å; F596-L616 HydrophobicContact CD1-CD2 3.97Å; F596-L616 HydrophobicContact CD2-CD1 4.41Å; F596-L616 HydrophobicContact CD2-CD2 4.18Å; F596-L616 HydrophobicContact CE1-CB 4.44Å; F596-L616 HydrophobicContact CE1-CD2 4.08Å; F596-L616 HydrophobicContact CE2-CB 4.44Å; F596-L616 HydrophobicContact CE2-CD1 4.19Å; F596-L616 HydrophobicContact CE2-CD2 4.28Å; F596-L616 HydrophobicContact CG-CD2 4.02Å; F596-L616 HydrophobicContact CZ-CB 4.06Å; F596-L616 HydrophobicContact CZ-CD2 4.22Å; L601-L616 HydrophobicContact CD2-CD1 4.22Å; L601-L616 HydrophobicContact CD2-CD2 4.31Å; S605-L616 PolarHBondContact O-N 3.35Å; L616-P618 WeakPolarHBondContact O-CD 3.4Å; L616-P618 VanDerWaalsContact O-N 3.15Å; L616-T621 HydrophobicContact CB-CG2 3.78Å; L616-T621 HydrophobicContact CD1-CG2 4.28Å
617	E	93	Very high	91	Very high	93 Å²	93	60.6 Å²	60.6	44%	0.435	32%	0.316	S	S	.	.	P	Polyproline II helix	trans	-56.6	120.8	-174.9	-161.5	-155.7	130	0	0	111.5	F596 S619 V620 T621	F596-E617 HydrophobicContact CE1-CB 4.09Å; F596-E617 HydrophobicContact CZ-CB 4.36Å; E617-S619 PolarHBondContact O-N 2.88Å; E617-S619 WeakPolarHBondContact OE1-CB 3.46Å; E617-S619 PolarHBondContact OE1-OG 3.39Å; E617-V620 HydrophobicContact CB-CB 4.31Å; E617-V620 HydrophobicContact CB-CG2 4.35Å; E617-V620 PolarHBondContact O-N 2.98Å; E617-V620 WeakPolarHBondContact OE2-CG2 3.39Å; E617-T621 WeakPolarHBondContact O-CG2 3.46Å; E617-T621 PolarHBondContact O-N 2.92Å; E617-T621 PolarHBondContact O-OG1 3.12Å; E617-T621 VanDerWaalsContact O-OG1 3.12Å
618	P	93.2	Very high	91.3	Very high	61 Å²	61	58 Å²	58	40%	0.396	30%	0.297	S	S	.	.	H	α-helix	trans	-58.1	-45.6	-177.2	-28.1	36.7	0	0	0	112.8	L616 V620 T621 E622	L616-P618 WeakPolarHBondContact O-CD 3.4Å; L616-P618 VanDerWaalsContact O-N 3.15Å; P618-V620 PolarHBondContact O-N 3.31Å; P618-T621 PolarHBondContact O-N 2.83Å; P618-T621 PolarHBondContact O-OG1 3.2Å; P618-E622 WeakPolarHBondContact O-CB 2.98Å; P618-E622 WeakPolarHBondContact O-CG 3.46Å; P618-E622 PolarHBondContact O-N 2.71Å
619	S	93.7	Very high	91.6	Very high	42 Å²	42	63.4 Å²	63.4	29%	0.294	31%	0.312	S	S	.	.	H	α-helix	trans	-58.8	-47.7	-178.4	-5.5	0	0	0	0	112.3	H563 E617 A623	H563-S619 PolarHBondContact CD2-O 3.2Å; H563-S619 VanDerWaalsContact CD2-O 3.29Å; E617-S619 PolarHBondContact O-N 2.88Å; E617-S619 WeakPolarHBondContact OE1-CB 3.46Å; E617-S619 PolarHBondContact OE1-OG 3.39Å; S619-A623 WeakPolarHBondContact O-CB 3.37Å; S619-A623 PolarHBondContact O-N 2.99Å
620	V	94.7	Very high	92	Very high	10 Å²	10	60.8 Å²	60.8	6%	0.061	30%	0.3	C	S	.	.	H	α-helix	trans	-63.9	-45.8	175.9	173.2	0	0	0	0	111.5	V566 F595 F596 E617 P618 A623 I624	V566-V620 HydrophobicContact CG1-CB 4.48Å; V566-V620 HydrophobicContact CG1-CG1 4.44Å; V566-V620 HydrophobicContact CG1-CG2 4.19Å; V566-V620 HydrophobicContact CG2-CB 4.49Å; V566-V620 HydrophobicContact CG2-CG2 3.9Å; F595-V620 HydrophobicContact CB-CG1 3.65Å; F595-V620 HydrophobicContact CD1-CG1 4.24Å; F595-V620 HydrophobicContact CD2-CG1 4.21Å; F595-V620 HydrophobicContact CG-CG1 3.78Å; F596-V620 HydrophobicContact CE1-CB 4.4Å; F596-V620 HydrophobicContact CE1-CG1 4.21Å; F596-V620 HydrophobicContact CE2-CB 4.5Å; F596-V620 HydrophobicContact CE2-CG1 3.72Å; F596-V620 HydrophobicContact CZ-CB 3.79Å; F596-V620 HydrophobicContact CZ-CG1 3.46Å; F596-V620 VanDerWaalsContact CZ-CG1 3.46Å; E617-V620 HydrophobicContact CB-CB 4.31Å; E617-V620 HydrophobicContact CB-CG2 4.35Å; E617-V620 PolarHBondContact O-N 2.98Å; E617-V620 WeakPolarHBondContact OE2-CG2 3.39Å; P618-V620 PolarHBondContact O-N 3.31Å; V620-A623 PolarHBondContact O-N 3.05Å; V620-I624 HydrophobicContact CG1-CD1 3.86Å; V620-I624 VanDerWaalsContact O-CG1 3.3Å; V620-I624 WeakPolarHBondContact O-CG1 3.46Å; V620-I624 PolarHBondContact O-N 3.04Å
621	T	95	Very high	92.5	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-69.5	-36	-177.2	59	0	0	0	0	113.1	F596 L606 L616 E617 P618 K625	F596-T621 HydrophobicContact CE2-CG2 3.97Å; F596-T621 HydrophobicContact CZ-CG2 3.94Å; L606-T621 HydrophobicContact CD1-CG2 3.86Å; L616-T621 HydrophobicContact CB-CG2 3.78Å; L616-T621 HydrophobicContact CD1-CG2 4.28Å; E617-T621 WeakPolarHBondContact O-CG2 3.46Å; E617-T621 PolarHBondContact O-N 2.92Å; E617-T621 PolarHBondContact O-OG1 3.12Å; E617-T621 VanDerWaalsContact O-OG1 3.12Å; P618-T621 PolarHBondContact O-N 2.83Å; P618-T621 PolarHBondContact O-OG1 3.2Å; T621-K625 WeakPolarHBondContact O-CD 3.44Å; T621-K625 WeakPolarHBondContact O-CE 3.34Å; T621-K625 VanDerWaalsContact O-CG 3.27Å; T621-K625 WeakPolarHBondContact O-CG 3.33Å; T621-K625 PolarHBondContact O-N 3.4Å
622	E	95	Very high	92.9	Very high	68 Å²	68	51.8 Å²	51.8	32%	0.318	24%	0.236	S	C	.	.	H	α-helix	trans	-72.7	-39.3	172.6	-65.2	-50.7	137.9	0	0	112	P618 I624 K625 I626	P618-E622 WeakPolarHBondContact O-CB 2.98Å; P618-E622 WeakPolarHBondContact O-CG 3.46Å; P618-E622 PolarHBondContact O-N 2.71Å; E622-I624 VanDerWaalsContact C-N 3.33Å; E622-I624 PolarHBondContact O-N 3.22Å; E622-K625 WeakPolarHBondContact O-CB 3.37Å; E622-K625 PolarHBondContact O-N 3.01Å; E622-K625 IonicContact OE1-NZ 2.74Å; E622-K625 PolarHBondContact OE1-NZ 3.28Å; E622-K625 WeakPolarHBondContact OE2-CD 3.48Å; E622-K625 IonicContact OE2-NZ 3.63Å; E622-I626 WeakPolarHBondContact O-CG1 3.35Å; E622-I626 PolarHBondContact O-N 2.87Å
623	A	95	Very high	93.1	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-57.8	-44	174.1	0	0	0	0	0	112.1	L559 H563 V566 S619 V620 K625 I626 F627	L559-A623 HydrophobicContact CB-CB 4.34Å; H563-A623 HydrophobicContact CB-CB 3.94Å; V566-A623 HydrophobicContact CB-CB 3.78Å; V566-A623 HydrophobicContact CG1-CB 3.75Å; V566-A623 HydrophobicContact CG2-CB 3.95Å; S619-A623 WeakPolarHBondContact O-CB 3.37Å; S619-A623 PolarHBondContact O-N 2.99Å; V620-A623 PolarHBondContact O-N 3.05Å; A623-K625 PolarHBondContact O-N 3.14Å; A623-I626 PolarHBondContact O-N 3.08Å; A623-F627 VanDerWaalsContact O-CB 3.28Å; A623-F627 WeakPolarHBondContact O-CB 3.47Å; A623-F627 PolarHBondContact O-N 3.12Å
624	I	95.5	Very high	93.5	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-64.4	-38.7	175	-64.2	165.9	0	0	0	110.9	L559 L591 M592 F595 V620 E622 I628 M644	L559-I624 HydrophobicContact CD1-CG1 3.93Å; L591-I624 HydrophobicContact CB-CD1 4.26Å; L591-I624 HydrophobicContact CB-CG1 4.38Å; L591-I624 HydrophobicContact CB-CG2 4.21Å; L591-I624 HydrophobicContact CD1-CG2 4.1Å; M592-I624 HydrophobicContact SD-CD1 4.09Å; F595-I624 HydrophobicContact CD2-CD1 3.97Å; F595-I624 HydrophobicContact CD2-CG1 4.48Å; F595-I624 HydrophobicContact CE2-CD1 4.44Å; F595-I624 HydrophobicContact CE2-CG1 4.49Å; V620-I624 HydrophobicContact CG1-CD1 3.86Å; V620-I624 VanDerWaalsContact O-CG1 3.3Å; V620-I624 WeakPolarHBondContact O-CG1 3.46Å; V620-I624 PolarHBondContact O-N 3.04Å; E622-I624 VanDerWaalsContact C-N 3.33Å; E622-I624 PolarHBondContact O-N 3.22Å; I624-I628 HydrophobicContact CG2-CG1 4.2Å; I624-I628 WeakPolarHBondContact O-CB 3.25Å; I624-I628 WeakPolarHBondContact O-CG1 3.45Å; I624-I628 PolarHBondContact O-N 3.09Å; I624-M644 HydrophobicContact CB-CE 3.69Å; I624-M644 HydrophobicContact CG2-CE 3.37Å
625	K	95.1	Very high	93.5	Very high	14 Å²	14	41.3 Å²	41.3	6%	0.061	20%	0.198	C	C	.	.	H	α-helix	trans	-64.5	-45.3	175.8	-70.7	164.6	-151.8	173.2	0	111.9	T621 E622 A623 I628 R629 I640 N641 M644	T621-K625 WeakPolarHBondContact O-CD 3.44Å; T621-K625 WeakPolarHBondContact O-CE 3.34Å; T621-K625 VanDerWaalsContact O-CG 3.27Å; T621-K625 WeakPolarHBondContact O-CG 3.33Å; T621-K625 PolarHBondContact O-N 3.4Å; E622-K625 WeakPolarHBondContact O-CB 3.37Å; E622-K625 PolarHBondContact O-N 3.01Å; E622-K625 IonicContact OE1-NZ 2.74Å; E622-K625 PolarHBondContact OE1-NZ 3.28Å; E622-K625 WeakPolarHBondContact OE2-CD 3.48Å; E622-K625 IonicContact OE2-NZ 3.63Å; A623-K625 PolarHBondContact O-N 3.14Å; K625-I628 PolarHBondContact O-N 3.3Å; K625-R629 WeakPolarHBondContact O-CB 3.46Å; K625-R629 VanDerWaalsContact O-CG 3.31Å; K625-R629 WeakPolarHBondContact O-CG 3.2Å; K625-R629 PolarHBondContact O-N 3.43Å; K625-I640 HydrophobicContact CG-CG2 3.89Å; K625-N641 WeakPolarHBondContact CE-OD1 3.44Å; K625-N641 PolarHBondContact NZ-OD1 3.11Å; K625-M644 HydrophobicContact CD-SD 4.49Å; K625-M644 VanDerWaalsContact CE-SD 3.6Å; K625-M644 HydrophobicContact CG-CE 3.81Å; K625-M644 HydrophobicContact CG-SD 4.11Å
626	I	94.1	Very high	93.5	Very high	56 Å²	56	42.7 Å²	42.7	29%	0.287	21%	0.208	S	C	.	.	H	α-helix	trans	-62.3	-51.1	178.9	-65.2	162.8	0	0	0	109.7	S560 A562 E622 A623 I628 R629 Q630	S560-I626 WeakPolarHBondContact OG-CD1 3.44Å; S560-I626 WeakPolarHBondContact OG-CG2 3.36Å; A562-I626 HydrophobicContact CB-CD1 4.31Å; E622-I626 WeakPolarHBondContact O-CG1 3.35Å; E622-I626 PolarHBondContact O-N 2.87Å; A623-I626 PolarHBondContact O-N 3.08Å; I626-I628 PolarHBondContact O-N 3.02Å; I626-R629 PolarHBondContact O-N 3.44Å; I626-Q630 HydrophobicContact CG2-CG 4.47Å; I626-Q630 WeakPolarHBondContact O-CG 3.36Å; I626-Q630 PolarHBondContact O-N 3.13Å
627	F	94.6	Very high	93.4	Very high	3 Å²	3	44.9 Å²	44.9	1%	0.013	22%	0.222	C	C	.	.	H	α-helix	trans	-53.4	-49.6	176.2	178.3	-94.6	0	0	0	112.7	F548 L559 F573 L587 L591 A623 R629 Q630 R631	F548-F627 HydrophobicContact CE1-CE2 4.5Å; F548-F627 HydrophobicContact CE1-CZ 4.49Å; F548-F627 HydrophobicContact CE2-CE2 4.37Å; F548-F627 HydrophobicContact CZ-CD2 4.24Å; F548-F627 AromaticContact CZ-CE2 3.58Å; F548-F627 HydrophobicContact CZ-CE2 3.58Å; F548-F627 AromaticContact CZ-CZ 3.87Å; F548-F627 HydrophobicContact CZ-CZ 3.87Å; L559-F627 HydrophobicContact CB-CB 4.17Å; L559-F627 HydrophobicContact CB-CD2 4.33Å; L559-F627 HydrophobicContact CB-CG 4.43Å; L559-F627 HydrophobicContact CD2-CD1 4.47Å; L559-F627 HydrophobicContact CD2-CD2 3.68Å; L559-F627 HydrophobicContact CD2-CE2 3.91Å; L559-F627 HydrophobicContact CD2-CG 3.99Å; L559-F627 HydrophobicContact CD2-CZ 4.45Å; L559-F627 WeakPolarHBondContact O-CB 3.29Å; F573-F627 AromaticContact CE2-CE2 3.78Å; F573-F627 HydrophobicContact CE2-CE2 3.78Å; F573-F627 AromaticContact CE2-CZ 3.57Å; F573-F627 HydrophobicContact CE2-CZ 3.57Å; F573-F627 HydrophobicContact CZ-CE2 4.36Å; F573-F627 HydrophobicContact CZ-CZ 4.12Å; L587-F627 HydrophobicContact CD2-CE1 4.08Å; L591-F627 HydrophobicContact CD1-CD1 3.91Å; L591-F627 HydrophobicContact CD1-CE1 4.04Å; A623-F627 VanDerWaalsContact O-CB 3.28Å; A623-F627 WeakPolarHBondContact O-CB 3.47Å; A623-F627 PolarHBondContact O-N 3.12Å; F627-R629 PolarHBondContact O-N 3.49Å; F627-Q630 PolarHBondContact O-N 2.78Å; F627-R631 PolarHBondContact O-N 3.28Å
628	I	94.9	Very high	93.4	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-66.3	-36.9	-179.1	-69.6	-70.3	0	0	0	111.5	L587 I588 L591 I624 K625 I626 R631 H632 L635 I640	L587-I628 HydrophobicContact CB-CD1 4.39Å; L587-I628 HydrophobicContact CD2-CD1 3.89Å; L587-I628 HydrophobicContact CG-CD1 4.06Å; I588-I628 HydrophobicContact CD1-CG2 4.17Å; I588-I628 HydrophobicContact CG1-CD1 3.86Å; I588-I628 HydrophobicContact CG1-CG1 3.86Å; I588-I628 HydrophobicContact CG1-CG2 4.2Å; L591-I628 HydrophobicContact CD1-CD1 4.06Å; L591-I628 HydrophobicContact CD1-CG1 4.4Å; I624-I628 HydrophobicContact CG2-CG1 4.2Å; I624-I628 WeakPolarHBondContact O-CB 3.25Å; I624-I628 WeakPolarHBondContact O-CG1 3.45Å; I624-I628 PolarHBondContact O-N 3.09Å; K625-I628 PolarHBondContact O-N 3.3Å; I626-I628 PolarHBondContact O-N 3.02Å; I628-R631 PolarHBondContact O-N 2.98Å; I628-H632 WeakPolarHBondContact O-CA 3.33Å; I628-H632 WeakPolarHBondContact O-CB 3.24Å; I628-H632 PolarHBondContact O-N 3.34Å; I628-L635 HydrophobicContact CG2-CD2 3.9Å; I628-I640 HydrophobicContact CB-CD1 4.29Å; I628-I640 HydrophobicContact CG2-CD1 3.66Å; I628-I640 HydrophobicContact CG2-CG1 3.99Å
629	R	93.2	Very high	93.5	Very high	132 Å²	132	42 Å²	42	50%	0.498	22%	0.221	S	C	.	.	H	α-helix	trans	-72.7	-30.2	176.3	-70	-175.5	73.7	-167.3	0.8	113.1	K625 I626 F627 P633 T637 I640	K625-R629 WeakPolarHBondContact O-CB 3.46Å; K625-R629 VanDerWaalsContact O-CG 3.31Å; K625-R629 WeakPolarHBondContact O-CG 3.2Å; K625-R629 PolarHBondContact O-N 3.43Å; I626-R629 PolarHBondContact O-N 3.44Å; F627-R629 PolarHBondContact O-N 3.49Å; R629-P633 WeakPolarHBondContact O-CA 3.09Å; R629-T637 PolarHBondContact NH1-OG1 3.43Å; R629-I640 HydrophobicContact CG-CD1 3.54Å
630	Q	92.5	Very high	93.5	Very high	86 Å²	86	40 Å²	40	40%	0.402	21%	0.207	S	C	.	.	H	α-helix	trans	-69	-41.7	170.3	-72.7	175.4	-19.1	0	0	111.4	F548 I626 F627	F548-Q630 HydrophobicContact CD2-CB 4.07Å; F548-Q630 HydrophobicContact CE2-CB 3.99Å; I626-Q630 HydrophobicContact CG2-CG 4.47Å; I626-Q630 WeakPolarHBondContact O-CG 3.36Å; I626-Q630 PolarHBondContact O-N 3.13Å; F627-Q630 PolarHBondContact O-N 2.78Å
631	R	92.9	Very high	93.6	Very high	24 Å²	24	42 Å²	42	9%	0.091	22%	0.218	C	C	.	.	H	α-helix	trans	-74.8	-41.1	179.8	-167.2	179.1	-171.5	-113.2	4.8	113.2	V544 A545 F548 F627 I628	V544-R631 CarbonylContact C-O 3.59Å; V544-R631 VanDerWaalsContact CA-O 3.26Å; V544-R631 WeakPolarHBondContact CA-O 3.36Å; V544-R631 HydrophobicContact CG1-CG 3.97Å; V544-R631 HydrophobicContact CG2-CG 4.37Å; A545-R631 PolarHBondContact N-O 3.49Å; F548-R631 HydrophobicContact CD1-CB 4.36Å; F548-R631 HydrophobicContact CD1-CG 3.95Å; F548-R631 HydrophobicContact CD2-CB 3.95Å; F548-R631 HydrophobicContact CD2-CG 4.41Å; F548-R631 HydrophobicContact CE1-CB 4.26Å; F548-R631 HydrophobicContact CE1-CG 3.99Å; F548-R631 HydrophobicContact CE2-CB 3.83Å; F548-R631 HydrophobicContact CE2-CG 4.43Å; F548-R631 HydrophobicContact CG-CB 4.21Å; F548-R631 HydrophobicContact CG-CG 4.17Å; F548-R631 HydrophobicContact CZ-CB 4Å; F548-R631 HydrophobicContact CZ-CG 4.23Å; F627-R631 PolarHBondContact O-N 3.28Å; I628-R631 PolarHBondContact O-N 2.98Å
632	H	92.7	Very high	93.6	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.238	C	C	.	.			trans	-129.3	72.7	-174.1	-59.7	-81.2	0	0	0	110.5	N542 K543 A584 I628 Q634 L635	N542-H632 PolarHBondContact O-CE1 3.32Å; N542-H632 PolarHBondContact O-ND1 3.33Å; N542-H632 VanDerWaalsContact O-ND1 3.15Å; K543-H632 PolarHBondContact O-ND1 3.41Å; A584-H632 HydrophobicContact CB-CB 4.32Å; I628-H632 WeakPolarHBondContact O-CA 3.33Å; I628-H632 WeakPolarHBondContact O-CB 3.24Å; I628-H632 PolarHBondContact O-N 3.34Å; H632-Q634 VanDerWaalsContact C-N 3.25Å; H632-Q634 PolarHBondContact O-N 3.07Å; H632-Q634 VanDerWaalsContact O-N 3.17Å; H632-L635 HydrophobicContact CB-CB 4.24Å; H632-L635 WeakPolarHBondContact O-CB 3.2Å; H632-L635 PolarHBondContact O-N 3.22Å
633	P	90.5	Very high	93.7	Very high	68 Å²	68	42.9 Å²	42.9	44%	0.442	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-24.6	-168.7	23.3	-34.1	0	0	0	114.9	A545 R629 L635	A545-P633 HydrophobicContact CB-CG 4.02Å; R629-P633 WeakPolarHBondContact O-CA 3.09Å; P633-L635 VanDerWaalsContact C-N 3.28Å; P633-L635 PolarHBondContact O-N 3.16Å
634	Q	89.8	Confident	93.7	Very high	78 Å²	78	42.9 Å²	42.9	36%	0.364	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-17.7	173.8	29.6	-76.7	-16.8	0	0	113.6	E540 K543 H632 K636	E540-Q634 VanDerWaalsContact O-CG 3.25Å; E540-Q634 WeakPolarHBondContact O-CG 3.39Å; K543-Q634 PolarHBondContact O-NE2 3.25Å; H632-Q634 VanDerWaalsContact C-N 3.25Å; H632-Q634 PolarHBondContact O-N 3.07Å; H632-Q634 VanDerWaalsContact O-N 3.17Å; Q634-K636 PolarHBondContact O-N 2.92Å
635	L	91.7	Very high	93.7	Very high	1 Å²	1	45.6 Å²	45.6	1%	0.005	24%	0.241	C	C	.	.	S	Bend	trans	-79	113.8	-179.8	-170.6	65.9	0	0	0	111.2	E541 A584 I588 I628 H632 P633 I640	E541-L635 HydrophobicContact CB-CD1 4.26Å; E541-L635 HydrophobicContact CG-CD1 4.13Å; E541-L635 WeakPolarHBondContact OE1-CD1 3.42Å; A584-L635 HydrophobicContact CB-CD2 3.94Å; I588-L635 HydrophobicContact CD1-CD2 3.96Å; I628-L635 HydrophobicContact CG2-CD2 3.9Å; H632-L635 HydrophobicContact CB-CB 4.24Å; H632-L635 WeakPolarHBondContact O-CB 3.2Å; H632-L635 PolarHBondContact O-N 3.22Å; P633-L635 VanDerWaalsContact C-N 3.28Å; P633-L635 PolarHBondContact O-N 3.16Å; L635-I640 HydrophobicContact CD2-CD1 4.44Å; L635-I640 HydrophobicContact CD2-CG1 3.77Å; L635-I640 HydrophobicContact CG-CD1 4.48Å; L635-I640 HydrophobicContact CG-CG1 3.92Å
636	K	92.5	Very high	93.8	Very high	158 Å²	158	47.1 Å²	47.1	69%	0.687	25%	0.249	S	C	*	.			trans	-68.8	144	-176.1	-63.1	178.1	-177.1	176	0	111.8	Q634 G638 S639 I640	Q634-K636 PolarHBondContact O-N 2.92Å; K636-G638 PolarHBondContact O-N 3.29Å; K636-G638 VanDerWaalsContact O-N 3.08Å; K636-S639 WeakPolarHBondContact O-CA 3.38Å; K636-S639 WeakPolarHBondContact O-CB 3.45Å; K636-S639 PolarHBondContact O-N 3.09Å; K636-I640 PolarHBondContact O-N 3.35Å; K636-I640 VanDerWaalsContact O-N 3.15Å
637	T	92.5	Very high	93.9	Very high	49 Å²	49	44.4 Å²	44.4	30%	0.301	24%	0.236	S	C	.	.	H	α-helix	trans	-53	-33.6	177	-41.2	0	0	0	0	113.2	R629 I640 N641	R629-T637 PolarHBondContact NH1-OG1 3.43Å; T637-I640 PolarHBondContact O-N 3.41Å; T637-N641 WeakPolarHBondContact O-CB 3.46Å; T637-N641 VanDerWaalsContact O-CG 3.3Å; T637-N641 PolarHBondContact O-N 2.95Å
638	G	93	Very high	93.9	Very high	51 Å²	51	44.3 Å²	44.3	53%	0.526	24%	0.235	S	C	.	.	H	α-helix	trans	-61.7	-43.8	173.2	0	0	0	0	0	113.4	K636 I640 N641 L642	K636-G638 PolarHBondContact O-N 3.29Å; K636-G638 VanDerWaalsContact O-N 3.08Å; G638-I640 VanDerWaalsContact C-N 3.33Å; G638-I640 PolarHBondContact O-N 3.22Å; G638-N641 PolarHBondContact O-N 3.36Å; G638-L642 VanDerWaalsContact O-CB 3.29Å; G638-L642 WeakPolarHBondContact O-CB 3.44Å; G638-L642 PolarHBondContact O-N 3.11Å
639	S	93.5	Very high	93.9	Very high	41 Å²	41	46.5 Å²	46.5	29%	0.287	25%	0.249	S	C	.	.	H	α-helix	trans	-64.2	-37.9	175.1	-51.1	0	0	0	0	111.6	K636 C643	K636-S639 WeakPolarHBondContact O-CA 3.38Å; K636-S639 WeakPolarHBondContact O-CB 3.45Å; K636-S639 PolarHBondContact O-N 3.09Å; S639-C643 WeakPolarHBondContact O-CB 3.44Å; S639-C643 PolarHBondContact O-N 3.47Å
640	I	95.7	Very high	94	Very high	0 Å²	0	41 Å²	41	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-66.5	-51.6	176.8	-56.6	171.6	0	0	0	110.5	I588 K625 I628 R629 L635 K636 T637 G638 L642 C643 M644	I588-I640 HydrophobicContact CD1-CB 4.33Å; I588-I640 HydrophobicContact CD1-CG1 4.21Å; I588-I640 HydrophobicContact CD1-CG2 4.04Å; K625-I640 HydrophobicContact CG-CG2 3.89Å; I628-I640 HydrophobicContact CB-CD1 4.29Å; I628-I640 HydrophobicContact CG2-CD1 3.66Å; I628-I640 HydrophobicContact CG2-CG1 3.99Å; R629-I640 HydrophobicContact CG-CD1 3.54Å; L635-I640 HydrophobicContact CD2-CD1 4.44Å; L635-I640 HydrophobicContact CD2-CG1 3.77Å; L635-I640 HydrophobicContact CG-CD1 4.48Å; L635-I640 HydrophobicContact CG-CG1 3.92Å; K636-I640 PolarHBondContact O-N 3.35Å; K636-I640 VanDerWaalsContact O-N 3.15Å; T637-I640 PolarHBondContact O-N 3.41Å; G638-I640 VanDerWaalsContact C-N 3.33Å; G638-I640 PolarHBondContact O-N 3.22Å; I640-L642 VanDerWaalsContact C-N 3.31Å; I640-L642 PolarHBondContact O-N 2.87Å; I640-C643 PolarHBondContact O-N 3.15Å; I640-M644 HydrophobicContact CG2-CE 3.97Å; I640-M644 HydrophobicContact CG2-SD 4.26Å; I640-M644 WeakPolarHBondContact O-CG 3.41Å; I640-M644 PolarHBondContact O-N 2.69Å
641	N	96	Very high	94.1	Very high	54 Å²	54	37 Å²	37	29%	0.289	21%	0.211	S	C	.	.	H	α-helix	trans	-60.4	-39	178.5	-73.9	-13.4	0	0	0	112.1	L606 K625 T637 G638 T645	L606-N641 HydrophobicContact CD2-CB 3.87Å; K625-N641 WeakPolarHBondContact CE-OD1 3.44Å; K625-N641 PolarHBondContact NZ-OD1 3.11Å; T637-N641 WeakPolarHBondContact O-CB 3.46Å; T637-N641 VanDerWaalsContact O-CG 3.3Å; T637-N641 PolarHBondContact O-N 2.95Å; G638-N641 PolarHBondContact O-N 3.36Å; N641-T645 WeakPolarHBondContact O-CB 3.42Å; N641-T645 PolarHBondContact O-N 3Å; N641-T645 PolarHBondContact O-OG1 3.03Å
642	L	95.4	Very high	94.2	Very high	82 Å²	82	37.2 Å²	37.2	43%	0.429	21%	0.211	S	C	.	.	H	α-helix	trans	-61.4	-50.7	174.1	-179.1	62.3	0	0	0	110.6	G638 I640 M644 T645 D646	G638-L642 VanDerWaalsContact O-CB 3.29Å; G638-L642 WeakPolarHBondContact O-CB 3.44Å; G638-L642 PolarHBondContact O-N 3.11Å; I640-L642 VanDerWaalsContact C-N 3.31Å; I640-L642 PolarHBondContact O-N 2.87Å; L642-M644 VanDerWaalsContact C-N 3.35Å; L642-M644 PolarHBondContact O-N 3.24Å; L642-T645 WeakPolarHBondContact O-CA 3.47Å; L642-T645 WeakPolarHBondContact O-CB 3.4Å; L642-T645 PolarHBondContact O-N 2.84Å; L642-D646 PolarHBondContact O-N 2.88Å
643	C	95.9	Very high	94.2	Very high	4 Å²	4	43.7 Å²	43.7	3%	0.027	24%	0.236	C	C	.	.	H	α-helix	trans	-61.1	-40.1	179.2	-172.2	0	0	0	0	112.9	T585 I588 S639 I640 T645 D646 V647	T585-C643 HydrophobicContact CG2-CB 4.41Å; I588-C643 HydrophobicContact CD1-CB 4.16Å; I588-C643 HydrophobicContact CG2-CB 4.14Å; S639-C643 WeakPolarHBondContact O-CB 3.44Å; S639-C643 PolarHBondContact O-N 3.47Å; I640-C643 PolarHBondContact O-N 3.15Å; C643-T645 VanDerWaalsContact C-N 3.34Å; C643-D646 PolarHBondContact O-N 2.96Å; C643-V647 WeakPolarHBondContact O-CG2 3.49Å; C643-V647 PolarHBondContact O-N 2.84Å; C643-V647 VanDerWaalsContact O-N 3.14Å
644	M	96.3	Very high	94.3	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-62.2	-39.7	172.4	-70.2	179.7	165.3	0	0	112.4	I588 M592 L606 I624 K625 I640 L642 V647 C648	I588-M644 HydrophobicContact CG2-CG 3.87Å; M592-M644 HydrophobicContact CE-CB 3.99Å; M592-M644 HydrophobicContact CE-CG 4.18Å; M592-M644 HydrophobicContact CG-CG 4.19Å; M592-M644 HydrophobicContact SD-CB 4.25Å; M592-M644 HydrophobicContact SD-CE 4.06Å; M592-M644 HydrophobicContact SD-CG 3.75Å; M592-M644 HydrophobicContact SD-SD 4.21Å; L606-M644 HydrophobicContact CD1-CB 4.33Å; L606-M644 HydrophobicContact CD1-SD 4.04Å; L606-M644 HydrophobicContact CD2-CB 4.08Å; L606-M644 HydrophobicContact CD2-SD 4.43Å; I624-M644 HydrophobicContact CB-CE 3.69Å; I624-M644 HydrophobicContact CG2-CE 3.37Å; K625-M644 HydrophobicContact CD-SD 4.49Å; K625-M644 VanDerWaalsContact CE-SD 3.6Å; K625-M644 HydrophobicContact CG-CE 3.81Å; K625-M644 HydrophobicContact CG-SD 4.11Å; I640-M644 HydrophobicContact CG2-CE 3.97Å; I640-M644 HydrophobicContact CG2-SD 4.26Å; I640-M644 WeakPolarHBondContact O-CG 3.41Å; I640-M644 PolarHBondContact O-N 2.69Å; L642-M644 VanDerWaalsContact C-N 3.35Å; L642-M644 PolarHBondContact O-N 3.24Å; M644-V647 PolarHBondContact O-N 3Å; M644-C648 PolarHBondContact O-N 3.03Å; M644-C648 PolarHBondContact O-SG 3.08Å
645	T	95.7	Very high	94.3	Very high	56 Å²	56	38.7 Å²	38.7	34%	0.344	21%	0.21	S	C	.	.	H	α-helix	trans	-68.1	-41.1	177.6	-56.9	0	0	0	0	111.2	N641 L642 C643 V647 C648 V649	N641-T645 WeakPolarHBondContact O-CB 3.42Å; N641-T645 PolarHBondContact O-N 3Å; N641-T645 PolarHBondContact O-OG1 3.03Å; L642-T645 WeakPolarHBondContact O-CA 3.47Å; L642-T645 WeakPolarHBondContact O-CB 3.4Å; L642-T645 PolarHBondContact O-N 2.84Å; C643-T645 VanDerWaalsContact C-N 3.34Å; T645-V647 VanDerWaalsContact C-N 3.33Å; T645-V647 PolarHBondContact O-N 3.45Å; T645-C648 WeakPolarHBondContact O-CB 3.46Å; T645-C648 PolarHBondContact O-N 3.07Å; T645-C648 VanDerWaalsContact O-N 3.13Å; T645-V649 WeakPolarHBondContact O-CG2 3.16Å; T645-V649 PolarHBondContact O-N 2.6Å
646	D	95.9	Very high	94.2	Very high	46 Å²	46	42.9 Å²	42.9	25%	0.246	23%	0.232	C	C	.	.	H	α-helix	trans	-60.5	-39.9	176.2	-68.8	-31.4	0	0	0	111.5	L642 C643 C648 V649 Q650	L642-D646 PolarHBondContact O-N 2.88Å; C643-D646 PolarHBondContact O-N 2.96Å; D646-C648 VanDerWaalsContact C-N 3.32Å; D646-C648 PolarHBondContact O-N 2.97Å; D646-V649 CarbonylContact O-C 3.58Å; D646-V649 PolarHBondContact O-N 2.99Å; D646-V649 VanDerWaalsContact O-N 3.14Å; D646-Q650 WeakPolarHBondContact O-CG 3.34Å; D646-Q650 PolarHBondContact O-N 3.42Å
647	V	96.3	Very high	94.1	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-56.8	-44.5	173.2	174.1	0	0	0	0	111.7	R589 M592 K593 L601 C643 M644 T645 V649 Q650 A651	R589-V647 HydrophobicContact CB-CG2 4.04Å; R589-V647 HydrophobicContact CG-CG2 3.64Å; M592-V647 HydrophobicContact CB-CG1 4.06Å; M592-V647 HydrophobicContact CB-CG2 4.42Å; K593-V647 HydrophobicContact CD-CG1 4.42Å; K593-V647 HydrophobicContact CG-CG1 4.22Å; L601-V647 HydrophobicContact CD1-CG1 3.93Å; L601-V647 HydrophobicContact CD2-CG1 4.1Å; C643-V647 WeakPolarHBondContact O-CG2 3.49Å; C643-V647 PolarHBondContact O-N 2.84Å; C643-V647 VanDerWaalsContact O-N 3.14Å; M644-V647 PolarHBondContact O-N 3Å; T645-V647 VanDerWaalsContact C-N 3.33Å; T645-V647 PolarHBondContact O-N 3.45Å; V647-V649 VanDerWaalsContact C-N 3.32Å; V647-V649 PolarHBondContact O-N 3.17Å; V647-Q650 PolarHBondContact O-N 3.07Å; V647-A651 WeakPolarHBondContact O-CB 3.27Å; V647-A651 PolarHBondContact O-N 2.88Å
648	C	95.6	Very high	93.7	Very high	1 Å²	1	42.3 Å²	42.3	1%	0.007	23%	0.232	C	C	.	.	H	α-helix	trans	-66.9	-35.8	179.1	-52.3	0	0	0	0	111.4	L601 M644 T645 D646 R652	L601-C648 WeakPolarHBondContact O-CA 3.29Å; L601-C648 WeakPolarHBondContact O-CB 3.5Å; M644-C648 PolarHBondContact O-N 3.03Å; M644-C648 PolarHBondContact O-SG 3.08Å; T645-C648 WeakPolarHBondContact O-CB 3.46Å; T645-C648 PolarHBondContact O-N 3.07Å; T645-C648 VanDerWaalsContact O-N 3.13Å; D646-C648 VanDerWaalsContact C-N 3.32Å; D646-C648 PolarHBondContact O-N 2.97Å; C648-R652 WeakPolarHBondContact O-CG 3.18Å; C648-R652 PolarHBondContact O-N 3.27Å; C648-R652 VanDerWaalsContact O-N 3.08Å; C648-R652 PolarHBondContact O-NE 2.84Å
649	V	94.7	Very high	93.1	Very high	46 Å²	46	47.5 Å²	47.5	28%	0.279	24%	0.236	S	C	.	.	H	α-helix	trans	-68.9	-39.9	174.2	173.7	0	0	0	0	111.7	T645 D646 V647 R652 R653	T645-V649 WeakPolarHBondContact O-CG2 3.16Å; T645-V649 PolarHBondContact O-N 2.6Å; D646-V649 CarbonylContact O-C 3.58Å; D646-V649 PolarHBondContact O-N 2.99Å; D646-V649 VanDerWaalsContact O-N 3.14Å; V647-V649 VanDerWaalsContact C-N 3.32Å; V647-V649 PolarHBondContact O-N 3.17Å; V649-R652 PolarHBondContact O-N 2.87Å; V649-R653 WeakPolarHBondContact O-CG 3.38Å; V649-R653 PolarHBondContact O-N 3.47Å; V649-R653 VanDerWaalsContact O-N 3.09Å
650	Q	94.7	Very high	92.3	Very high	15 Å²	15	49.1 Å²	49.1	7%	0.07	25%	0.247	C	C	.	.	H	α-helix	trans	-61.8	-49.5	173.2	-71.7	176.5	1.1	0	0	110.9	E369 D646 V647 R652 R653 V654	E369-Q650 PolarHBondContact OE1-NE2 3.09Å; D646-Q650 WeakPolarHBondContact O-CG 3.34Å; D646-Q650 PolarHBondContact O-N 3.42Å; V647-Q650 PolarHBondContact O-N 3.07Å; Q650-R652 VanDerWaalsContact C-N 3.32Å; Q650-R652 PolarHBondContact O-N 3.01Å; Q650-R653 WeakPolarHBondContact O-CB 3.1Å; Q650-R653 PolarHBondContact O-N 2.97Å; Q650-V654 PolarHBondContact O-N 3.48Å
651	A	95.1	Very high	91.1	Very high	4 Å²	4	59.7 Å²	59.7	3%	0.033	29%	0.287	C	S	.	.	H	α-helix	trans	-56.1	-44.3	177.2	0	0	0	0	0	112.1	Q598 L601 A602 V647 R653 V654 A655	Q598-A651 HydrophobicContact CG-CB 4.46Å; L601-A651 HydrophobicContact CB-CB 3.57Å; A602-A651 HydrophobicContact CB-CB 4.28Å; V647-A651 WeakPolarHBondContact O-CB 3.27Å; V647-A651 PolarHBondContact O-N 2.88Å; A651-R653 PolarHBondContact O-N 3.09Å; A651-V654 PolarHBondContact O-N 3.41Å; A651-A655 WeakPolarHBondContact O-CB 3.41Å; A651-A655 PolarHBondContact O-N 2.87Å
652	R	93.8	Very high	89.5	Confident	27 Å²	27	64.2 Å²	64.2	10%	0.102	31%	0.306	C	S	.	.	H	α-helix	trans	-57.6	-43.3	172.2	-82.3	-176.7	-88.7	-83.4	3.1	113.9	A602 S604 Y612 C648 V649 Q650 N656	A602-R652 HydrophobicContact CB-CG 4.24Å; A602-R652 WeakPolarHBondContact O-CD 3.43Å; A602-R652 WeakPolarHBondContact O-CG 3.17Å; A602-R652 PolarHBondContact O-NH1 2.92Å; S604-R652 PolarHBondContact O-NH1 3.26Å; S604-R652 PolarHBondContact O-NH2 3.47Å; Y612-R652 VanDerWaalsContact CE2-CD 3.48Å; Y612-R652 WeakPolarHBondContact OH-CD 3.28Å; C648-R652 WeakPolarHBondContact O-CG 3.18Å; C648-R652 PolarHBondContact O-N 3.27Å; C648-R652 VanDerWaalsContact O-N 3.08Å; C648-R652 PolarHBondContact O-NE 2.84Å; V649-R652 PolarHBondContact O-N 2.87Å; Q650-R652 VanDerWaalsContact C-N 3.32Å; Q650-R652 PolarHBondContact O-N 3.01Å; R652-N656 WeakPolarHBondContact O-CB 3.44Å; R652-N656 VanDerWaalsContact O-CG 3.28Å; R652-N656 PolarHBondContact O-N 3.39Å; R652-N656 PolarHBondContact O-ND2 2.86Å
653	R	93.7	Very high	87.3	Confident	137 Å²	137	67.9 Å²	67.9	52%	0.517	32%	0.32	S	S	.	.	H	α-helix	trans	-61.9	-44.9	177.8	-70.1	170.2	-175	170.1	4	110.6	E369 V649 Q650 A651 N657	E369-R653 IonicContact OE2-NH1 3.93Å; V649-R653 WeakPolarHBondContact O-CG 3.38Å; V649-R653 PolarHBondContact O-N 3.47Å; V649-R653 VanDerWaalsContact O-N 3.09Å; Q650-R653 WeakPolarHBondContact O-CB 3.1Å; Q650-R653 PolarHBondContact O-N 2.97Å; A651-R653 PolarHBondContact O-N 3.09Å; R653-N657 WeakPolarHBondContact O-CB 3.27Å; R653-N657 PolarHBondContact O-N 3.39Å; R653-N657 PolarHBondContact O-ND2 3.3Å
654	V	92.5	Very high	84.9	Confident	35 Å²	35	72.7 Å²	72.7	21%	0.212	35%	0.352	C	S	.	.	H	α-helix	trans	-64.6	-48.7	178.2	-178.7	0	0	0	0	111.3	A372 Q650 A651 N656 N657 Q658	A372-V654 HydrophobicContact CB-CG1 4.31Å; A372-V654 HydrophobicContact CB-CG2 4.35Å; Q650-V654 PolarHBondContact O-N 3.48Å; A651-V654 PolarHBondContact O-N 3.41Å; V654-N656 VanDerWaalsContact C-N 3.35Å; V654-N656 PolarHBondContact O-N 3.19Å; V654-N657 PolarHBondContact O-N 3.2Å; V654-N657 VanDerWaalsContact O-N 3.12Å; V654-Q658 WeakPolarHBondContact O-CG 3.39Å; V654-Q658 PolarHBondContact O-N 3.08Å
655	A	89.8	Confident	82.4	Confident	5 Å²	5	80.5 Å²	80.5	4%	0.041	39%	0.393	C	S	.	.	H	α-helix	trans	-60.6	-40.8	178.7	0	0	0	0	0	112.7	A602 A651 Q658 R659	A602-A655 HydrophobicContact CB-CB 3.93Å; A651-A655 WeakPolarHBondContact O-CB 3.41Å; A651-A655 PolarHBondContact O-N 2.87Å; A655-Q658 PolarHBondContact O-N 3.41Å; A655-R659 WeakPolarHBondContact O-CG 3.27Å; A655-R659 PolarHBondContact O-N 3.46Å
656	N	89.9	Confident	79.6	Confident	90 Å²	90	89.5 Å²	89.5	48%	0.481	42%	0.42	S	S	.	.	H	α-helix	trans	-66.6	-36.1	174.7	-74.6	-23.5	0	0	0	112.6	R652 V654 R659 S660	R652-N656 WeakPolarHBondContact O-CB 3.44Å; R652-N656 VanDerWaalsContact O-CG 3.28Å; R652-N656 PolarHBondContact O-N 3.39Å; R652-N656 PolarHBondContact O-ND2 2.86Å; V654-N656 VanDerWaalsContact C-N 3.35Å; V654-N656 PolarHBondContact O-N 3.19Å; N656-R659 PolarHBondContact O-N 2.74Å; N656-S660 WeakPolarHBondContact O-CB 3.43Å; N656-S660 PolarHBondContact O-N 3.44Å; N656-S660 PolarHBondContact O-OG 3.48Å
657	N	89.4	Confident	76.9	Confident	100 Å²	100	94.1 Å²	94.1	54%	0.535	45%	0.445	S	S	.	.	H	α-helix	trans	-70.3	-30.6	175.2	-73.1	-13.2	0	0	0	113	R653 V654 S660 R661	R653-N657 WeakPolarHBondContact O-CB 3.27Å; R653-N657 PolarHBondContact O-N 3.39Å; R653-N657 PolarHBondContact O-ND2 3.3Å; V654-N657 PolarHBondContact O-N 3.2Å; V654-N657 VanDerWaalsContact O-N 3.12Å; N657-S660 PolarHBondContact O-OG 3.45Å; N657-S660 VanDerWaalsContact O-OG 3.11Å; N657-R661 WeakPolarHBondContact O-CG 3.36Å
658	Q	85.4	Confident	74	Confident	95 Å²	95	98.9 Å²	98.9	44%	0.444	48%	0.479	S	S	.	.	H	α-helix	trans	-69.9	-48.2	171.8	-71.5	171.2	-22.8	0	0	110.6	V654 A655 S660 R661 Q662	V654-Q658 WeakPolarHBondContact O-CG 3.39Å; V654-Q658 PolarHBondContact O-N 3.08Å; A655-Q658 PolarHBondContact O-N 3.41Å; Q658-S660 PolarHBondContact O-N 2.9Å; Q658-R661 PolarHBondContact O-N 3.29Å; Q658-Q662 PolarHBondContact O-N 3.05Å
659	R	80.4	Confident	71.1	Confident	160 Å²	160	105 Å²	105	60%	0.604	52%	0.518	S	S	*	.	H	α-helix	trans	-60.9	-39.6	177.4	-70.5	174.4	-175.4	-170.6	1.2	112.9	A655 N656 R661 Q662	A655-R659 WeakPolarHBondContact O-CG 3.27Å; A655-R659 PolarHBondContact O-N 3.46Å; N656-R659 PolarHBondContact O-N 2.74Å; R659-R661 VanDerWaalsContact C-N 3.27Å; R659-R661 PolarHBondContact O-N 3.28Å; R659-Q662 PolarHBondContact O-N 3.43Å; R659-Q662 VanDerWaalsContact O-N 3.09Å
660	S	76.1	Confident	68.1	Low	74 Å²	74	107.7 Å²	107.7	52%	0.517	54%	0.535	S	S	.	.	H	α-helix	trans	-66.7	-27.3	179.1	68.3	0	0	0	0	113.5	N656 N657 Q658	N656-S660 WeakPolarHBondContact O-CB 3.43Å; N656-S660 PolarHBondContact O-N 3.44Å; N656-S660 PolarHBondContact O-OG 3.48Å; N657-S660 PolarHBondContact O-OG 3.45Å; N657-S660 VanDerWaalsContact O-OG 3.11Å; Q658-S660 PolarHBondContact O-N 2.9Å
661	R	71	Confident	65.1	Low	223 Å²	223	114.9 Å²	114.9	84%	0.842	57%	0.57	S	S	*	*	H	α-helix	trans	-80.4	-15.2	172.5	-70.7	176.9	175.5	-119.7	2.7	113.9	N657 Q658 R659	N657-R661 WeakPolarHBondContact O-CG 3.36Å; Q658-R661 PolarHBondContact O-N 3.29Å; R659-R661 VanDerWaalsContact C-N 3.27Å; R659-R661 PolarHBondContact O-N 3.28Å
662	Q	61.7	Low	62.1	Low	149 Å²	149	124 Å²	124	70%	0.696	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.2	-1.4	180	-78	-176.8	-17.1	0	0	114.5	Q658 R659 P664	Q658-Q662 PolarHBondContact O-N 3.05Å; R659-Q662 PolarHBondContact O-N 3.43Å; R659-Q662 VanDerWaalsContact O-N 3.09Å; Q662-P664 WeakPolarHBondContact O-CD 3.37Å
663	H	48.9	Very low	59.3	Low	158 Å²	158	131.9 Å²	131.9	73%	0.731	65%	0.65	S	S	*	*			trans	-67.8	116.4	164.7	-89.3	-59.2	0	0	0	109.5
664	P	47	Very low	56.4	Low	106 Å²	106	130.5 Å²	130.5	69%	0.688	66%	0.661	S	S	*	*			trans	-63	164	167.8	-14.4	31	0	0	0	109.2	Q662 R666	Q662-P664 WeakPolarHBondContact O-CD 3.37Å; P664-R666 PolarHBondContact O-N 2.89Å
665	L	42.2	Very low	53.7	Low	164 Å²	164	136.9 Å²	136.9	86%	0.859	69%	0.693	S	S	*	*			trans	-49.4	109.5	166.8	-74.2	162.7	0	0	0	108.7	N667	L665-N667 PolarHBondContact O-N 3.33Å; L665-N667 PolarHBondContact O-OD1 3.09Å
666	R	38.4	Very low	51.1	Low	245 Å²	245	146 Å²	146	93%	0.925	73%	0.732	S	S	*	*			trans	-69	98.2	-179.2	-177.9	179.3	179.8	172.6	1.8	107.8	P664 S668	P664-R666 PolarHBondContact O-N 2.89Å; R666-S668 PolarHBondContact O-N 3.25Å
667	N	39	Very low	48.4	Very low	142 Å²	142	147.6 Å²	147.6	76%	0.759	75%	0.751	S	S	*	*			trans	-41	125.9	-179.2	-70	-14.9	0	0	0	111.1	L665 P669	L665-N667 PolarHBondContact O-N 3.33Å; L665-N667 PolarHBondContact O-OD1 3.09Å; N667-P669 WeakPolarHBondContact O-CD 3.24Å
668	S	35.3	Very low	45.6	Very low	101 Å²	101	151.2 Å²	151.2	71%	0.706	76%	0.764	S	S	*	*			trans	-59.1	118.5	169.4	46	0	0	0	0	108.5	R666 T670	R666-S668 PolarHBondContact O-N 3.25Å; S668-T670 VanDerWaalsContact C-N 3.34Å; S668-T670 PolarHBondContact O-N 3.5Å
669	P	33.9	Very low	43.1	Very low	128 Å²	128	157.9 Å²	157.9	83%	0.831	79%	0.785	S	S	*	*			trans	-79.7	81.4	-171.8	31.9	-35.2	0	0	0	110.4	N667	N667-P669 WeakPolarHBondContact O-CD 3.24Å
670	T	31.9	Very low	40.8	Very low	103 Å²	103	154.9 Å²	154.9	63%	0.632	79%	0.788	S	S	*	*			trans	-160.9	142.8	170.9	-16.4	0	0	0	0	112.8	S668	S668-T670 VanDerWaalsContact C-N 3.34Å; S668-T670 PolarHBondContact O-N 3.5Å
671	M	31.8	Very low	38.6	Very low	167 Å²	167	156.1 Å²	156.1	82%	0.823	80%	0.796	S	S	*	*	S	Bend	trans	70	58.5	162.3	-51.1	-53.1	178.7	0	0	119.2
672	Q	32.6	Very low	36.7	Very low	196 Å²	196	151.1 Å²	151.1	92%	0.916	79%	0.791	S	S	*	*			trans	-146.5	34.6	149.2	-140.3	168.9	5.3	0	0	117.1
673	E	34.5	Very low	35.4	Very low	192 Å²	192	149.9 Å²	149.9	90%	0.897	79%	0.789	S	S	*	*	S	Bend	trans	-150.3	139.7	156.7	-99.1	173.5	166.9	0	0	106.2
674	S	34	Very low	34.7	Very low	107 Å²	107	148.3 Å²	148.3	75%	0.748	79%	0.786	S	S	*	*			cis	-133	144.6	-0.8	170.2	0	0	0	0	110.6
675	L	33.9	Very low	33.9	Very low	169 Å²	169	150.9 Å²	150.9	89%	0.885	79%	0.788	S	S	*	*			trans	-109	82.6	170	-103.6	173	0	0	0	109.9
676	K	36.4	Very low	33.6	Very low	197 Å²	197	150.3 Å²	150.3	86%	0.857	78%	0.781	S	S	*	*			trans	168.8	109.1	151.3	-92.9	149.9	-172.6	179.7	0	111.2
677	S	31.8	Very low	33.4	Very low	124 Å²	124	147 Å²	147	87%	0.867	78%	0.777	S	S	*	*				175.4	147.9	107.4	-163.4	0	0	0	0	111.4
678	H	32.6	Very low	33.3	Very low	176 Å²	176	146.5 Å²	146.5	82%	0.815	78%	0.783	S	S	*	*			trans	-88.4	173.5	172.5	-116.9	-81.1	0	0	0	110.7
679	R	32.6	Very low	33.2	Very low	234 Å²	234	148.6 Å²	148.6	88%	0.883	79%	0.786	S	S	*	*			trans	80.2	142.4	168.9	-60.2	-176.2	-176	-162.6	1.1	115.4
680	S	32.5	Very low	33.4	Very low	97 Å²	97	148 Å²	148	68%	0.678	79%	0.785	S	S	*	*			cis	-162.2	155.8	-22.4	-141.6	0	0	0	0	111.1
681	C	28.1	Very low	33.6	Very low	101 Å²	101	149 Å²	149	68%	0.682	79%	0.785	S	S	*	*			trans	56.6	136.4	145.3	-67.3	0	0	0	0	122
682	T	32.3	Very low	33.9	Very low	118 Å²	118	148.9 Å²	148.9	72%	0.724	79%	0.787	S	S	*	*			trans	71.1	112.7	137.8	51.5	0	0	0	0	121
683	N	33.1	Very low	33.9	Very low	123 Å²	123	143 Å²	143	66%	0.658	78%	0.779	S	S	*	*				97.8	118.8	125.6	-74.2	50.7	0	0	0	120.8
684	D	33.9	Very low	34.1	Very low	125 Å²	125	142.1 Å²	142.1	67%	0.668	78%	0.78	S	S	*	*				77	97.2	127.6	-50.7	-11.6	0	0	0	120.9
685	Q	32	Very low	34.2	Very low	159 Å²	159	147.3 Å²	147.3	74%	0.743	79%	0.789	S	S	*	*				98.3	152.5	110.4	-164.7	163.7	-45.9	0	0	119.6
686	E	35.9	Very low	34.2	Very low	152 Å²	152	145 Å²	145	71%	0.71	79%	0.787	S	S	*	*			trans	60.6	113.2	176.1	-78.5	142.5	-132.6	0	0	117
687	E	33.6	Very low	34	Very low	177 Å²	177	146 Å²	146	83%	0.827	79%	0.785	S	S	*	*			cis	97.1	103	46	-176.9	174.4	-119.1	0	0	112.6
688	C	35.9	Very low	34	Very low	131 Å²	131	146.1 Å²	146.1	89%	0.885	78%	0.781	S	S	*	*			trans	-171.5	116.5	139.3	-104.3	0	0	0	0	111
689	D	33.7	Very low	34.1	Very low	145 Å²	145	144.2 Å²	144.2	78%	0.775	78%	0.777	S	S	*	*			trans	-75.7	143.9	171.7	-97.7	-55.7	0	0	0	112.2	L691	D689-L691 HydrophobicContact CB-CD1 4.47Å
690	S	37.7	Very low	33.9	Very low	116 Å²	116	140.8 Å²	140.8	81%	0.811	78%	0.776	S	S	*	*				166.4	148.1	127.4	-79.8	0	0	0	0	114.3
691	L	36.9	Very low	34	Very low	122 Å²	122	141.3 Å²	141.3	64%	0.639	78%	0.78	S	S	*	*			cis	-162.5	143.9	-39.9	-148.7	75.3	0	0	0	108.6	D689	D689-L691 HydrophobicContact CB-CD1 4.47Å
692	L	38.2	Very low	34.3	Very low	165 Å²	165	143.4 Å²	143.4	86%	0.864	78%	0.782	S	S	*	*			trans	66.1	134.6	167.1	-46.5	-179.6	0	0	0	118.1
693	G	33.4	Very low	34.4	Very low	72 Å²	72	149 Å²	149	74%	0.742	79%	0.791	S	S	*	*			cis	174.3	111.5	-8	0	0	0	0	0	114.8
694	L	36.8	Very low	34.2	Very low	175 Å²	175	150.4 Å²	150.4	92%	0.916	80%	0.797	S	S	*	*			trans	-105.2	112.3	164.6	-78.6	169	0	0	0	109.7	S696	L694-S696 PolarHBondContact O-N 3.19Å
695	K	36.6	Very low	34.2	Very low	216 Å²	216	150.9 Å²	150.9	94%	0.939	80%	0.8	S	S	*	*			trans	-89.5	87.1	178	-91.2	176.6	172.8	168.4	0	111.9
696	S	34.4	Very low	34.1	Very low	119 Å²	119	147.5 Å²	147.5	83%	0.832	79%	0.793	S	S	*	*			trans	-82.5	121.8	158.2	-68.9	0	0	0	0	109.1	L694	L694-S696 PolarHBondContact O-N 3.19Å
697	R	33	Very low	34	Very low	218 Å²	218	147.2 Å²	147.2	82%	0.823	80%	0.802	S	S	*	*			trans	-120.2	85.3	-177.7	-165.3	-176.2	-168.6	-172.9	5.8	111.8
698	T	30.5	Very low	33.9	Very low	128 Å²	128	142.8 Å²	142.8	79%	0.785	80%	0.804	S	S	*	*			trans	-68.2	144.6	156.4	42.2	0	0	0	0	110
699	N	34.9	Very low	33.8	Very low	135 Å²	135	145.6 Å²	145.6	72%	0.722	80%	0.801	S	S	*	*			trans	-149.6	125.2	164.7	-111.8	6.8	0	0	0	108.4
700	N	29.5	Very low	33.6	Very low	162 Å²	162	145.2 Å²	145.2	87%	0.866	80%	0.799	S	S	*	*			trans	-86	157.7	179.4	-68.3	-27.6	0	0	0	111.4
701	S	34	Very low	33.2	Very low	109 Å²	109	147.5 Å²	147.5	76%	0.762	80%	0.796	S	S	*	*			trans	-151.3	101.8	152.5	-161	0	0	0	0	113
702	I	35	Very low	32.8	Very low	144 Å²	144	150.3 Å²	150.3	74%	0.738	80%	0.804	S	S	*	*			trans	24.6	117.5	133.6	-33.2	178.5	0	0	0	115.2
703	R	32.5	Very low	32.5	Very low	237 Å²	237	149.8 Å²	149.8	89%	0.894	80%	0.796	S	S	*	*				-155.9	153	73.5	-83.8	177.4	179.5	-161.7	-1.9	115.8
704	L	30.9	Very low	32.2	Very low	152 Å²	152	152.3 Å²	152.3	80%	0.796	79%	0.793	S	S	*	*			trans	-36.7	161.2	160.8	-62.1	158.1	0	0	0	114.7
705	N	31.9	Very low	32	Very low	135 Å²	135	152.3 Å²	152.3	72%	0.722	79%	0.788	S	S	*	*			cis	-160.1	165.5	36.3	-144	-1.3	0	0	0	116.9
706	S	31.5	Very low	31.6	Very low	87 Å²	87	148 Å²	148	61%	0.608	78%	0.775	S	S	*	*			trans	57.6	104.2	150.6	62.4	0	0	0	0	123.7
707	T	33.5	Very low	31.3	Very low	146 Å²	146	149.1 Å²	149.1	90%	0.896	77%	0.77	S	S	*	*				60	119.9	126.4	58.2	0	0	0	0	122.5
708	G	32	Very low	31.1	Very low	84 Å²	84	145.2 Å²	145.2	87%	0.866	76%	0.764	S	S	*	*			trans	-176.9	76.6	167.5	0	0	0	0	0	113.9
709	K	32.2	Very low	31	Very low	190 Å²	190	144.5 Å²	144.5	83%	0.826	76%	0.76	S	S	*	*			trans	-63.1	146.1	-168.2	-90.5	179.6	176.6	179.9	0	117.1
710	L	29.6	Very low	30.8	Very low	138 Å²	138	144.6 Å²	144.6	72%	0.723	77%	0.766	S	S	*	*			trans	73.9	149.1	140.3	-69.5	171.4	0	0	0	119
711	Q	30.8	Very low	30.7	Very low	163 Å²	163	142.4 Å²	142.4	76%	0.762	76%	0.758	S	S	*	*			cis	-151.3	158.1	-8.6	-160.4	160.4	-18.7	0	0	110.9
712	K	28.2	Very low	30.5	Very low	182 Å²	182	144.1 Å²	144.1	79%	0.791	76%	0.764	S	S	*	*			trans	-83.5	148	165.8	-93.2	-174	173.1	-176	0	111.1
713	H	30.5	Very low	30.3	Very low	154 Å²	154	142.7 Å²	142.7	71%	0.713	76%	0.764	S	S	*	*				-154.1	135.5	129.7	-124.9	-81.4	0	0	0	112.2	H715	H713-H715 AromaticContact CE1-CD2 3.72Å; H713-H715 AromaticContact CE1-NE2 3.69Å; H713-H715 AromaticContact ND1-CD2 3.5Å; H713-H715 PolarHBondContact ND1-CD2 3.32Å; H713-H715 AromaticContact ND1-NE2 3.93Å
714	N	27.3	Very low	30.3	Very low	125 Å²	125	138 Å²	138	67%	0.668	76%	0.762	S	S	*	*			trans	-90.4	159.1	154.9	-65.2	8.1	0	0	0	107.4
715	H	32.4	Very low	30.3	Very low	174 Å²	174	136.8 Å²	136.8	81%	0.806	76%	0.761	S	S	*	*			trans	-151.1	133	138.1	-107.5	-68.2	0	0	0	110.6	H713	H713-H715 AromaticContact CE1-CD2 3.72Å; H713-H715 AromaticContact CE1-NE2 3.69Å; H713-H715 AromaticContact ND1-CD2 3.5Å; H713-H715 PolarHBondContact ND1-CD2 3.32Å; H713-H715 AromaticContact ND1-NE2 3.93Å
716	D	28.4	Very low	30.4	Very low	126 Å²	126	136.4 Å²	136.4	67%	0.674	76%	0.764	S	S	*	*			trans	-89.4	-173.6	174.3	-58	-86.2	0	0	0	111.4
717	I	29.3	Very low	30.5	Very low	143 Å²	143	138.4 Å²	138.4	73%	0.733	77%	0.772	S	S	*	*			trans	94.4	104	140.2	-83.3	163.2	0	0	0	119.4
718	I	29.1	Very low	30.3	Very low	136 Å²	136	136.9 Å²	136.9	70%	0.697	77%	0.765	S	S	*	*				76	109.6	125	-64.1	179.5	0	0	0	120.5
719	T	27.2	Very low	30.3	Very low	112 Å²	112	139.8 Å²	139.8	69%	0.687	77%	0.766	S	S	*	*				45.1	134.5	118	-40.1	0	0	0	0	121.5
720	T	30.2	Very low	30	Very low	138 Å²	138	137.6 Å²	137.6	85%	0.847	76%	0.762	S	S	*	*				-162.1	155	125.6	-77.6	0	0	0	0	111.2
721	T	28.6	Very low	29.9	Very low	116 Å²	116	138.1 Å²	138.1	71%	0.712	77%	0.766	S	S	*	*			trans	-99	161.5	-170.8	46.3	0	0	0	0	114.5
722	T	30.3	Very low	29.9	Very low	145 Å²	145	135.3 Å²	135.3	89%	0.89	76%	0.761	S	S	*	*			trans	-145.6	136.4	152.7	33.1	0	0	0	0	111
723	P	30.2	Very low	29.7	Very low	113 Å²	113	134.2 Å²	134.2	73%	0.734	76%	0.763	S	S	*	*			trans	-121.6	143.9	-179.6	39.3	-28.5	0	0	0	115.8
724	T	33.4	Very low	29.7	Very low	138 Å²	138	132.6 Å²	132.6	85%	0.847	76%	0.764	S	S	*	*			trans	-157.1	126	160.1	43.8	0	0	0	0	107.3
725	T	29.9	Very low	29.6	Very low	128 Å²	128	133.6 Å²	133.6	79%	0.785	77%	0.769	S	S	*	*			cis	94.3	84.9	34.4	-54.4	0	0	0	0	114.1
726	T	34	Very low	29.6	Very low	126 Å²	126	134.1 Å²	134.1	77%	0.773	77%	0.772	S	S	*	*			trans	-155.4	95.3	155.3	39	0	0	0	0	107.5
727	T	32.7	Very low	29.6	Very low	129 Å²	129	138.1 Å²	138.1	79%	0.791	78%	0.779	S	S	*	*				79.3	130.3	100.1	50.9	0	0	0	0	115.3
728	P	30.1	Very low	29.8	Very low	115 Å²	115	138.7 Å²	138.7	75%	0.747	78%	0.783	S	S	*	*			trans	-96.7	172.4	-167.2	39.3	-37.9	0	0	0	114.3
729	T	31.3	Very low	29.9	Very low	145 Å²	145	136.4 Å²	136.4	89%	0.89	78%	0.78	S	S	*	*			trans	-143.1	130.1	158.4	-56	0	0	0	0	109.6
730	I	27.2	Very low	30.1	Very low	143 Å²	143	136.3 Å²	136.3	73%	0.733	78%	0.783	S	S	*	*			trans	-104.3	143.8	176.2	-60.8	166.4	0	0	0	107.2
731	N	27.8	Very low	30.1	Very low	149 Å²	149	140.1 Å²	140.1	80%	0.797	78%	0.784	S	S	*	*			trans	152.8	157.9	150.5	-82	-20	0	0	0	111.5
732	P	29.2	Very low	29.8	Very low	104 Å²	104	140 Å²	140	68%	0.675	79%	0.787	S	S	*	*			cis	-132.2	-174.1	-32.1	38	-21.6	0	0	0	112.4
733	I	24.9	Very low	29.9	Very low	160 Å²	160	141 Å²	141	82%	0.821	79%	0.785	S	S	*	*			trans	-83.2	134.1	165.3	-62.1	162.1	0	0	0	109
734	T	30.9	Very low	29.7	Very low	119 Å²	119	144.1 Å²	144.1	73%	0.73	79%	0.79	S	S	*	*			trans	-142.8	125.8	165.1	46.7	0	0	0	0	111.1
735	N	25.6	Very low	29.6	Very low	146 Å²	146	145.7 Å²	145.7	78%	0.781	79%	0.789	S	S	*	*			trans	-96.4	137.1	165	-67.7	-33.3	0	0	0	108.9
736	E	31.7	Very low	29.6	Very low	185 Å²	185	144.4 Å²	144.4	86%	0.864	79%	0.786	S	S	*	*			trans	-142.2	114.1	158.3	-95.1	160	-171.9	0	0	106.2
737	Y	28.4	Very low	29.3	Very low	211 Å²	211	148.7 Å²	148.7	83%	0.827	79%	0.794	S	S	*	*				71.8	97.1	67.8	-96.4	-86.7	0	0	0	115.1
738	D	32.3	Very low	29.4	Very low	154 Å²	154	147.7 Å²	147.7	82%	0.824	79%	0.792	S	S	*	*				169	153.1	122.1	-97.1	-14.3	0	0	0	111.8
739	S	31.9	Very low	29.5	Very low	89 Å²	89	150.3 Å²	150.3	62%	0.622	79%	0.794	S	S	*	*			cis	-158.7	153	-14.2	55.3	0	0	0	0	111
740	S	30.7	Very low	29.6	Very low	109 Å²	109	150.2 Å²	150.2	76%	0.762	79%	0.787	S	S	*	*			trans	61.5	149.3	168.9	75.4	0	0	0	0	117
741	Y	30.4	Very low	30	Very low	218 Å²	218	150.2 Å²	150.2	86%	0.855	79%	0.788	S	S	*	*			cis	-137.9	149.9	23.7	-145.1	-93.2	0	0	0	110.8
742	C	23.9	Very low	30	Very low	115 Å²	115	150.4 Å²	150.4	78%	0.777	79%	0.789	S	S	*	*			trans	-109.9	137	-175.5	-58.2	0	0	0	0	112.5
743	I	32	Very low	30.4	Very low	166 Å²	166	152.1 Å²	152.1	85%	0.851	80%	0.798	S	S	*	*			trans	-143.2	132.2	148.7	-59.3	-174.1	0	0	0	107.6
744	E	26.3	Very low	30.9	Very low	177 Å²	177	152.3 Å²	152.3	83%	0.827	80%	0.795	S	S	*	*			trans	-87.8	164.3	177.4	-59.2	173.2	101.6	0	0	112.2
745	M	30.3	Very low	30.9	Very low	171 Å²	171	156.9 Å²	156.9	84%	0.842	81%	0.805	S	S	*	*				-176.3	124.7	128.5	-93.2	-105.5	-80.3	0	0	113.4
746	S	30.5	Very low	31.4	Very low	102 Å²	102	154.5 Å²	154.5	71%	0.713	80%	0.8	S	S	*	*			trans	59.1	123.4	139.3	-54.9	0	0	0	0	122.2
747	K	27.6	Very low	31.3	Very low	215 Å²	215	154.6 Å²	154.6	94%	0.935	80%	0.8	S	S	*	*			trans	-99.2	135.9	155.1	-76.6	-178.5	175.6	179.6	0	110.6
748	S	35.2	Very low	31.6	Very low	108 Å²	108	150.1 Å²	150.1	76%	0.755	80%	0.8	S	S	*	*			trans	-169.5	153.6	161.7	47.9	0	0	0	0	106.8
749	E	31.4	Very low	31.6	Very low	170 Å²	170	151.4 Å²	151.4	79%	0.794	80%	0.801	S	S	*	*			cis	-174.6	-175.1	-16.9	-171	167.5	-157.4	0	0	104.4
750	I	34.2	Very low	31.8	Very low	144 Å²	144	154.4 Å²	154.4	74%	0.738	81%	0.81	S	S	*	*			trans	70	128.9	164	-54.6	168.1	0	0	0	115.3
751	N	34.3	Very low	32	Very low	143 Å²	143	156.5 Å²	156.5	77%	0.765	81%	0.813	S	S	*	*			cis	-155.8	153.1	-11.5	-112.7	5.8	0	0	0	108.8
752	D	28.5	Very low	32.1	Very low	152 Å²	152	149 Å²	149	81%	0.813	80%	0.802	S	S	*	*			trans	-72.4	154.3	160.1	-71.3	-65.7	0	0	0	111.5
753	T	37	Very low	32.6	Very low	140 Å²	140	150.1 Å²	150.1	86%	0.859	81%	0.808	S	S	*	*			trans	-154.4	122.2	152.9	-7.9	0	0	0	0	110.4
754	H	35.5	Very low	32.7	Very low	164 Å²	164	149.7 Å²	149.7	76%	0.759	81%	0.806	S	S	*	*			trans	-67	154.4	174.2	-62.3	-110.6	0	0	0	111.3
755	F	32.3	Very low	32.8	Very low	215 Å²	215	149.3 Å²	149.3	94%	0.943	81%	0.808	S	S	*	*				-147.8	151.7	127.6	-119.5	-79.3	0	0	0	110.9
756	S	35.9	Very low	32.9	Very low	96 Å²	96	149.5 Å²	149.5	67%	0.671	81%	0.807	S	S	*	*			trans	-103.3	178.5	-157.1	-49.3	0	0	0	0	114.7
757	E	28.5	Very low	33	Very low	187 Å²	187	151.7 Å²	151.7	87%	0.874	81%	0.809	S	S	*	*			trans	-62	153.1	179.6	-57.2	136	137	0	0	114.1
758	S	34.3	Very low	33.5	Very low	117 Å²	117	146.9 Å²	146.9	82%	0.818	80%	0.798	S	S	*	*			trans	-152.3	108.5	147.7	65.3	0	0	0	0	110.2
759	E	32.1	Very low	33.3	Very low	181 Å²	181	148.1 Å²	148.1	85%	0.846	80%	0.796	S	S	*	*			trans	-72	149.6	162.5	-60.5	178.7	116.6	0	0	109.7
760	N	36.5	Very low	33.9	Very low	153 Å²	153	149 Å²	149	82%	0.818	80%	0.8	S	S	*	*			trans	-178.4	131.7	139.6	-93.1	-28.8	0	0	0	112.6
761	D	35.4	Very low	33.9	Very low	153 Å²	153	152.3 Å²	152.3	82%	0.818	80%	0.803	S	S	*	*			trans	32.7	127.6	144.1	-62.3	-21.2	0	0	0	123.4
762	G	33.2	Very low	34	Very low	61 Å²	61	153.5 Å²	153.5	63%	0.629	81%	0.81	S	S	*	*				90	110.3	109.4	0	0	0	0	0	118.6
763	P	34.9	Very low	34.3	Very low	137 Å²	137	154.6 Å²	154.6	89%	0.89	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-78.5	132.5	175.1	32	-33.5	0	0	0	112.3
764	I	32.3	Very low	34.4	Very low	158 Å²	158	155.7 Å²	155.7	81%	0.81	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-101.7	124	173.2	-66.3	177.2	0	0	0	110.1
765	L	28.2	Very low	34.5	Very low	168 Å²	168	154.8 Å²	154.8	88%	0.88	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-74.5	129.6	163.4	-73.8	162.7	0	0	0	109.1
766	Q	34	Very low	34.7	Very low	175 Å²	175	149 Å²	149	82%	0.818	80%	0.796	S	S	*	*			trans	-119.9	104.2	168.8	-161.5	166.3	19.3	0	0	110.4	V768	Q766-V768 HydrophobicContact CG-CG2 4.5Å
767	I	31.4	Very low	34.8	Very low	148 Å²	148	150.8 Å²	150.8	76%	0.759	80%	0.798	S	S	*	*			trans	-80.8	136.7	167.4	-60.9	171	0	0	0	107.2
768	V	37.8	Very low	35.1	Very low	114 Å²	114	148.7 Å²	148.7	69%	0.691	79%	0.793	S	S	*	*			trans	-124.6	98.1	168.3	-179.1	0	0	0	0	108	Q766 E770	Q766-V768 HydrophobicContact CG-CG2 4.5Å; V768-E770 HydrophobicContact CG1-CG 4.46Å
769	D	32.8	Very low	35.2	Very low	135 Å²	135	148.4 Å²	148.4	72%	0.722	79%	0.786	S	S	*	*			trans	-88.5	118.5	161.6	-101.6	-24.7	0	0	0	107.5
770	E	42.2	Very low	35.5	Very low	187 Å²	187	146.7 Å²	146.7	87%	0.874	78%	0.782	S	S	*	*			trans	-116.9	120.7	157.8	-78	-159.3	135.1	0	0	109.5	V768	V768-E770 HydrophobicContact CG1-CG 4.46Å
771	R	34.9	Very low	35.3	Very low	214 Å²	214	145.6 Å²	145.6	81%	0.808	78%	0.781	S	S	*	*			trans	-91.3	139.5	176.9	-60.3	175	-176.3	162.6	0.6	109.5
772	N	36.5	Very low	35.4	Very low	169 Å²	169	144 Å²	144	90%	0.904	78%	0.78	S	S	*	*			trans	-150.3	124.7	137.8	-98.9	-40.6	0	0	0	109.6
773	E	35.1	Very low	35.5	Very low	175 Å²	175	146.2 Å²	146.2	82%	0.818	79%	0.791	S	S	*	*			trans	-82.6	155.7	171.3	-59.8	172.6	132.9	0	0	109.5
774	I	39	Very low	35.3	Very low	163 Å²	163	145.2 Å²	145.2	84%	0.836	79%	0.788	S	S	*	*				-173.4	125.9	129	-92.9	149.7	0	0	0	108.7
775	N	36.5	Very low	35.2	Very low	145 Å²	145	144.1 Å²	144.1	78%	0.775	79%	0.792	S	S	*	*			trans	-5.5	149	151.7	-67.3	8.5	0	0	0	118.9
776	S	38.3	Very low	35.3	Very low	94 Å²	94	141.3 Å²	141.3	66%	0.657	79%	0.787	S	S	*	*			cis	-171.3	159.7	9.1	33.2	0	0	0	0	113.6
777	D	37.3	Very low	35.3	Very low	133 Å²	133	139.5 Å²	139.5	71%	0.711	79%	0.788	S	S	*	*			trans	63.8	119.5	145.1	-63	-2.1	0	0	0	123
778	N	35	Very low	35.2	Very low	143 Å²	143	140.2 Å²	140.2	77%	0.765	79%	0.793	S	S	*	*			trans	65.2	145.7	131.6	-61.5	-29.7	0	0	0	120.3
779	V	37	Very low	35.1	Very low	111 Å²	111	139.1 Å²	139.1	67%	0.673	79%	0.79	S	S	*	*			cis	-158.7	154	-7.4	112.5	0	0	0	0	110
780	D	37.5	Very low	35.2	Very low	145 Å²	145	141 Å²	141	78%	0.775	79%	0.792	S	S	*	*			trans	38.1	117.9	161.3	-58	-24.4	0	0	0	123.7
781	T	33.1	Very low	35	Very low	130 Å²	130	139.6 Å²	139.6	80%	0.798	79%	0.788	S	S	*	*			trans	-61.5	176	145.6	30.9	0	0	0	0	114.1
782	P	37	Very low	35.2	Very low	120 Å²	120	133.8 Å²	133.8	78%	0.779	78%	0.78	S	S	*	*			cis	-135	167.1	-17.6	33.8	-16.5	0	0	0	114.5
783	A	34.4	Very low	35.8	Very low	106 Å²	106	133.5 Å²	133.5	88%	0.876	78%	0.779	S	S	*	*			trans	-157.4	152.1	152.4	0	0	0	0	0	113.2
784	S	30.1	Very low	36	Very low	116 Å²	116	134.5 Å²	134.5	81%	0.811	78%	0.783	S	S	*	*			trans	-86	145.7	174.6	55.9	0	0	0	0	112.9
785	C	31.1	Very low	36.4	Very low	135 Å²	135	140 Å²	140	91%	0.912	80%	0.801	S	S	*	*			trans	-155.4	148.8	149.4	-137.3	0	0	0	0	112.4
786	S	29.8	Very low	36.4	Very low	110 Å²	110	139.7 Å²	139.7	77%	0.769	80%	0.802	S	S	*	*			trans	-118.2	132.8	-175.6	57.2	0	0	0	0	111.7
787	V	34.8	Very low	36.3	Very low	137 Å²	137	142.1 Å²	142.1	83%	0.83	81%	0.81	S	S	*	*			trans	-141.8	129.3	169.6	-176.3	0	0	0	0	110.2
788	N	30	Very low	36.2	Very low	163 Å²	163	142.6 Å²	142.6	87%	0.872	82%	0.815	S	S	*	*			trans	-92.2	147.9	166.5	-62.8	-34.9	0	0	0	109.6
789	S	34.6	Very low	36.3	Very low	90 Å²	90	142.6 Å²	142.6	63%	0.629	82%	0.818	S	S	*	*			trans	-162.4	161.8	150.3	-156.8	0	0	0	0	114.1
790	F	35	Very low	36.3	Very low	174 Å²	174	144.6 Å²	144.6	76%	0.763	83%	0.827	S	S	*	*			trans	61.8	107.9	173.3	-57	-71.8	0	0	0	116
791	M	38.9	Very low	36.2	Very low	158 Å²	158	144.5 Å²	144.5	78%	0.778	83%	0.831	S	S	*	*				67.8	116.1	54.7	-61.5	-178.6	59.2	0	0	114.3
792	S	37.8	Very low	36.4	Very low	92 Å²	92	145.6 Å²	145.6	64%	0.643	83%	0.833	S	S	*	*				159.1	115.9	105.1	-81.7	0	0	0	0	110.8
793	D	48.8	Very low	36.4	Very low	164 Å²	164	147.5 Å²	147.5	88%	0.877	84%	0.837	S	S	*	*				174	150	105.5	-92.5	-22.2	0	0	0	110.8
794	Q	41	Very low	36.5	Very low	196 Å²	196	151 Å²	151	92%	0.916	83%	0.834	S	S	*	*			trans	-138.7	127.9	179	-157.1	-178.8	32.5	0	0	109.6
795	K	46.3	Very low	37.1	Very low	277 Å²	277	154.2 Å²	154.2	100%	1.204	84%	0.836	S	S	*	*			trans	-156.9	0	167.7	-145.4	177.5	-172.8	179.3	0	110.9

Retrieved 795 of 795 residues in 130.3 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).