A0A077ZAB9_TRITR Loading...

Integrator complex subunit 4

AlphaFold DB , UniProt , Accession A0A077ZAB9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 648 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	28.5	Very low	33.1	Very low	244 Å²	244	120.5 Å²	120.5	100%	1.202	67%	0.672	S	S	*	*				0	99.6	0	-73.5	-173.1	175.4	0	0	108.7
2	C	30.2	Very low	33.7	Very low	134 Å²	134	117.8 Å²	117.8	91%	0.905	66%	0.66	S	S	*	*			trans	-179.9	75.4	157.2	-93.4	0	0	0	0	105.3	T4	C2-T4 PolarHBondContact O-N 2.96Å
3	G	30.2	Very low	34.1	Very low	78 Å²	78	113.5 Å²	113.5	80%	0.804	65%	0.648	S	S	*	*			trans	-79.1	108.5	170.6	0	0	0	0	0	108
4	T	34	Very low	34.6	Very low	82 Å²	82	111.1 Å²	111.1	50%	0.503	63%	0.632	S	S	.	*			trans	-63.7	134.1	161.8	41.6	0	0	0	0	108.5	C2 W6	C2-T4 PolarHBondContact O-N 2.96Å; T4-W6 PolarHBondContact O-N 2.67Å
5	P	34.8	Very low	35.5	Very low	77 Å²	77	108.8 Å²	108.8	50%	0.5	62%	0.621	S	S	.	*			trans	-64.8	132.3	-175.3	25	-30.9	0	0	0	110.9	S7 E8	P5-S7 PolarHBondContact O-N 3.47Å; P5-E8 PolarHBondContact O-N 3.22Å
6	W	35.1	Very low	36.5	Very low	230 Å²	230	106.4 Å²	106.4	87%	0.871	61%	0.612	S	S	*	*	H	α-helix	trans	-52.4	-16.3	-179.2	-78.9	75.3	0	0	0	114.9	T4 A10	T4-W6 PolarHBondContact O-N 2.67Å; W6-A10 PolarHBondContact O-N 3.47Å
7	S	33.8	Very low	37.5	Very low	86 Å²	86	102.4 Å²	102.4	60%	0.601	59%	0.586	S	S	*	*	H	α-helix	trans	-70.2	-30.3	178.7	58.7	0	0	0	0	114.4	P5 S11	P5-S7 PolarHBondContact O-N 3.47Å; S7-S11 PolarHBondContact O-N 2.73Å
8	E	33.6	Very low	38.4	Very low	124 Å²	124	101.8 Å²	101.8	58%	0.579	58%	0.581	S	S	*	*	H	α-helix	trans	-73.2	-40.7	178.6	-81.6	-178.1	152.8	0	0	111.6	P5 A10 S11 V12	P5-E8 PolarHBondContact O-N 3.22Å; E8-A10 VanDerWaalsContact C-N 3.31Å; E8-A10 PolarHBondContact O-N 2.94Å; E8-S11 PolarHBondContact O-N 3.3Å; E8-S11 PolarHBondContact O-OG 3.14Å; E8-V12 WeakPolarHBondContact O-CG2 3.46Å; E8-V12 PolarHBondContact O-N 3.18Å
9	Y	34.8	Very low	39.4	Very low	169 Å²	169	104.4 Å²	104.4	66%	0.663	59%	0.585	S	S	*	*	H	α-helix	trans	-61.4	-37.6	174.5	-83.8	-84.8	0	0	0	112.6	A13	Y9-A13 WeakPolarHBondContact O-CB 3.46Å; Y9-A13 PolarHBondContact O-N 2.96Å
10	A	33.4	Very low	40.2	Very low	37 Å²	37	100.8 Å²	100.8	31%	0.306	56%	0.562	S	S	.	*	H	α-helix	trans	-64.5	-40.2	177.7	0	0	0	0	0	112.4	W6 E8 A13 L14	W6-A10 PolarHBondContact O-N 3.47Å; E8-A10 VanDerWaalsContact C-N 3.31Å; E8-A10 PolarHBondContact O-N 2.94Å; A10-A13 PolarHBondContact O-N 3.23Å; A10-L14 WeakPolarHBondContact O-CB 3.36Å; A10-L14 WeakPolarHBondContact O-CD1 3.12Å; A10-L14 PolarHBondContact O-N 3.01Å
11	S	36.2	Very low	41.1	Very low	65 Å²	65	97.9 Å²	97.9	46%	0.455	55%	0.545	S	S	.	.	H	α-helix	trans	-69.5	-36.7	179.5	80.4	0	0	0	0	113.1	S7 E8 L14 T15	S7-S11 PolarHBondContact O-N 2.73Å; E8-S11 PolarHBondContact O-N 3.3Å; E8-S11 PolarHBondContact O-OG 3.14Å; S11-L14 PolarHBondContact O-N 3.4Å; S11-T15 WeakPolarHBondContact O-CG2 3.38Å; S11-T15 PolarHBondContact O-N 2.86Å; S11-T15 PolarHBondContact O-OG1 3.48Å; S11-T15 VanDerWaalsContact O-OG1 3.05Å
12	V	39.4	Very low	42.7	Very low	88 Å²	88	89.7 Å²	89.7	53%	0.533	51%	0.512	S	S	.	.	H	α-helix	trans	-70.3	-38.7	176.8	178.8	0	0	0	0	110.6	E8 T15 C16	E8-V12 WeakPolarHBondContact O-CG2 3.46Å; E8-V12 PolarHBondContact O-N 3.18Å; V12-T15 WeakPolarHBondContact CA-OG1 3.35Å; V12-T15 PolarHBondContact O-N 3.01Å; V12-T15 PolarHBondContact O-OG1 2.84Å; V12-C16 PolarHBondContact O-N 3.26Å; V12-C16 VanDerWaalsContact O-N 3.1Å
13	A	39.1	Very low	44.1	Very low	61 Å²	61	85.3 Å²	85.3	50%	0.504	48%	0.479	S	S	.	.	H	α-helix	trans	-65.1	-40.2	174.7	0	0	0	0	0	112.6	Y9 A10 F17	Y9-A13 WeakPolarHBondContact O-CB 3.46Å; Y9-A13 PolarHBondContact O-N 2.96Å; A10-A13 PolarHBondContact O-N 3.23Å; A13-F17 WeakPolarHBondContact O-CB 3.36Å; A13-F17 PolarHBondContact O-N 3.02Å
14	L	41.2	Very low	45.5	Very low	80 Å²	80	81.9 Å²	81.9	42%	0.419	44%	0.442	S	S	.	.	H	α-helix	trans	-67.8	-39	176.5	-95.7	140.4	0	0	0	113	A10 S11 F17 D18 W54	A10-L14 WeakPolarHBondContact O-CB 3.36Å; A10-L14 WeakPolarHBondContact O-CD1 3.12Å; A10-L14 PolarHBondContact O-N 3.01Å; S11-L14 PolarHBondContact O-N 3.4Å; L14-F17 WeakPolarHBondContact O-CB 3.28Å; L14-F17 PolarHBondContact O-N 3.42Å; L14-D18 PolarHBondContact O-N 2.84Å; L14-W54 HydrophobicContact CD1-CZ2 4.39Å
15	T	48.4	Very low	46.7	Very low	77 Å²	77	81.7 Å²	81.7	47%	0.472	44%	0.438	S	S	.	.	H	α-helix	trans	-70.7	-34.5	177	50.6	0	0	0	0	112.7	S11 V12 K19	S11-T15 WeakPolarHBondContact O-CG2 3.38Å; S11-T15 PolarHBondContact O-N 2.86Å; S11-T15 PolarHBondContact O-OG1 3.48Å; S11-T15 VanDerWaalsContact O-OG1 3.05Å; V12-T15 WeakPolarHBondContact CA-OG1 3.35Å; V12-T15 PolarHBondContact O-N 3.01Å; V12-T15 PolarHBondContact O-OG1 2.84Å; T15-K19 WeakPolarHBondContact O-CG 3.41Å; T15-K19 PolarHBondContact O-N 3.33Å
16	C	51.4	Low	48	Very low	71 Å²	71	84.6 Å²	84.6	48%	0.48	44%	0.443	S	S	.	.	H	α-helix	trans	-66	-38.4	167.5	-83	0	0	0	0	111.9	V12 Y20	V12-C16 PolarHBondContact O-N 3.26Å; V12-C16 VanDerWaalsContact O-N 3.1Å; C16-Y20 WeakPolarHBondContact O-CB 3.25Å; C16-Y20 PolarHBondContact O-N 3.05Å
17	F	53.5	Low	49	Very low	38 Å²	38	76 Å²	76	17%	0.167	42%	0.417	C	S	.	.	H	α-helix	trans	-61	-48.8	177	179.3	-86.4	0	0	0	112.1	A13 L14 Y20 L21 L47 R51	A13-F17 WeakPolarHBondContact O-CB 3.36Å; A13-F17 PolarHBondContact O-N 3.02Å; L14-F17 WeakPolarHBondContact O-CB 3.28Å; L14-F17 PolarHBondContact O-N 3.42Å; F17-Y20 PolarHBondContact O-N 3.16Å; F17-L21 HydrophobicContact CE1-CB 4.48Å; F17-L21 HydrophobicContact CE1-CD2 3.87Å; F17-L21 HydrophobicContact CZ-CD2 4.38Å; F17-L21 WeakPolarHBondContact O-CB 3.41Å; F17-L21 PolarHBondContact O-N 3.1Å; F17-L47 HydrophobicContact CD2-CD2 3.87Å; F17-L47 HydrophobicContact CD2-CG 4.08Å; F17-L47 HydrophobicContact CE1-CD2 4.35Å; F17-L47 HydrophobicContact CE2-CB 4.44Å; F17-L47 HydrophobicContact CE2-CD2 3.33Å; F17-L47 HydrophobicContact CE2-CG 3.55Å; F17-L47 HydrophobicContact CZ-CD2 3.59Å; F17-L47 HydrophobicContact CZ-CG 4.24Å; F17-R51 HydrophobicContact CE2-CB 4.19Å; F17-R51 HydrophobicContact CZ-CB 4.41Å
18	D	53.5	Low	50.2	Low	92 Å²	92	73.4 Å²	73.4	49%	0.492	40%	0.396	S	S	.	.	H	α-helix	trans	-67.8	-39.2	-178.6	-74.1	-25.4	0	0	0	112	L14 S22	L14-D18 PolarHBondContact O-N 2.84Å; D18-S22 VanDerWaalsContact O-CB 3.22Å; D18-S22 WeakPolarHBondContact O-CB 3.39Å; D18-S22 PolarHBondContact O-N 3.03Å; D18-S22 PolarHBondContact O-OG 3.28Å
19	K	57.2	Low	51.3	Low	151 Å²	151	77.6 Å²	77.6	66%	0.657	41%	0.407	S	S	*	.	H	α-helix	trans	-62.3	-48	174	-75.2	179.3	-179.6	-178	0	111.2	T15 S22 L23	T15-K19 WeakPolarHBondContact O-CG 3.41Å; T15-K19 PolarHBondContact O-N 3.33Å; K19-S22 PolarHBondContact O-N 3.24Å; K19-S22 PolarHBondContact O-OG 3.21Å; K19-L23 WeakPolarHBondContact O-CB 3.38Å; K19-L23 PolarHBondContact O-N 3.2Å
20	Y	56.2	Low	52.3	Low	31 Å²	31	76.1 Å²	76.1	12%	0.122	41%	0.41	C	S	.	.	H	α-helix	trans	-69	-38.8	-179	-174.2	-112.8	0	0	0	112.3	C16 F17 L23 I24 S43 L47 L102 A106 F132	C16-Y20 WeakPolarHBondContact O-CB 3.25Å; C16-Y20 PolarHBondContact O-N 3.05Å; F17-Y20 PolarHBondContact O-N 3.16Å; Y20-L23 HydrophobicContact CD2-CD2 4.39Å; Y20-L23 WeakPolarHBondContact O-CB 3.37Å; Y20-L23 PolarHBondContact O-N 2.89Å; Y20-I24 HydrophobicContact CD1-CD1 3.61Å; Y20-I24 HydrophobicContact CD1-CG1 4.44Å; Y20-I24 HydrophobicContact CE1-CD1 3.31Å; Y20-I24 HydrophobicContact CE1-CG1 4.16Å; Y20-I24 HydrophobicContact CE2-CD1 4.34Å; Y20-I24 HydrophobicContact CE2-CG1 4.33Å; Y20-I24 HydrophobicContact CG-CD1 4.27Å; Y20-I24 VanDerWaalsContact O-CG1 3.26Å; Y20-I24 WeakPolarHBondContact O-CG1 3.38Å; Y20-I24 PolarHBondContact O-N 2.75Å; Y20-S43 WeakPolarHBondContact OH-CB 3.34Å; Y20-S43 PolarHBondContact OH-OG 3.48Å; Y20-L47 HydrophobicContact CD1-CD1 3.31Å; Y20-L47 HydrophobicContact CE1-CD1 3.3Å; Y20-L102 HydrophobicContact CE1-CD1 4.11Å; Y20-L102 HydrophobicContact CE1-CG 4.41Å; Y20-A106 HydrophobicContact CE1-CB 4.16Å; Y20-A106 HydrophobicContact CE2-CB 3.64Å; Y20-A106 WeakPolarHBondContact OH-CA 3.36Å; Y20-A106 WeakPolarHBondContact OH-CB 3.2Å; Y20-F132 HydrophobicContact CD2-CZ 4.45Å; Y20-F132 HydrophobicContact CE2-CE1 4.39Å; Y20-F132 HydrophobicContact CE2-CZ 4.09Å
21	L	59	Low	53	Low	41 Å²	41	75.7 Å²	75.7	22%	0.215	41%	0.405	C	S	.	.	H	α-helix	trans	-63	-42.9	171.6	-179	62.8	0	0	0	111.3	F17 L23 I24 L25 L44 L47	F17-L21 HydrophobicContact CE1-CB 4.48Å; F17-L21 HydrophobicContact CE1-CD2 3.87Å; F17-L21 HydrophobicContact CZ-CD2 4.38Å; F17-L21 WeakPolarHBondContact O-CB 3.41Å; F17-L21 PolarHBondContact O-N 3.1Å; L21-L23 VanDerWaalsContact C-N 3.28Å; L21-L23 PolarHBondContact O-N 3.26Å; L21-I24 PolarHBondContact O-N 3.16Å; L21-L25 HydrophobicContact CD1-CD1 4.13Å; L21-L25 HydrophobicContact CD1-CG 4.18Å; L21-L25 HydrophobicContact CG-CD1 3.92Å; L21-L25 HydrophobicContact CG-CG 4.39Å; L21-L25 WeakPolarHBondContact O-CB 3.43Å; L21-L25 WeakPolarHBondContact O-CG 3.38Å; L21-L25 PolarHBondContact O-N 3.11Å; L21-L44 HydrophobicContact CD1-CD2 3.76Å; L21-L47 HydrophobicContact CB-CD2 3.93Å; L21-L47 HydrophobicContact CD1-CD2 3.88Å; L21-L47 HydrophobicContact CG-CD2 4.41Å
22	S	61.2	Low	53.7	Low	72 Å²	72	77.8 Å²	77.8	50%	0.503	42%	0.42	S	S	.	.	H	α-helix	trans	-62	-38.4	176.4	78.8	0	0	0	0	111.8	D18 K19 K26	D18-S22 VanDerWaalsContact O-CB 3.22Å; D18-S22 WeakPolarHBondContact O-CB 3.39Å; D18-S22 PolarHBondContact O-N 3.03Å; D18-S22 PolarHBondContact O-OG 3.28Å; K19-S22 PolarHBondContact O-N 3.24Å; K19-S22 PolarHBondContact O-OG 3.21Å; S22-K26 VanDerWaalsContact O-CB 3.29Å; S22-K26 WeakPolarHBondContact O-CB 3.46Å; S22-K26 PolarHBondContact O-N 3.46Å
23	L	60.3	Low	53.8	Low	41 Å²	41	80.8 Å²	80.8	22%	0.215	43%	0.432	C	S	.	.	H	α-helix	trans	-66.2	-49.9	177	-179.4	68.7	0	0	0	111	K19 Y20 L21 L25 K26 C27 L128	K19-L23 WeakPolarHBondContact O-CB 3.38Å; K19-L23 PolarHBondContact O-N 3.2Å; Y20-L23 HydrophobicContact CD2-CD2 4.39Å; Y20-L23 WeakPolarHBondContact O-CB 3.37Å; Y20-L23 PolarHBondContact O-N 2.89Å; L21-L23 VanDerWaalsContact C-N 3.28Å; L21-L23 PolarHBondContact O-N 3.26Å; L23-L25 VanDerWaalsContact C-N 3.31Å; L23-L25 PolarHBondContact O-N 2.95Å; L23-K26 WeakPolarHBondContact O-CB 3.4Å; L23-K26 PolarHBondContact O-N 2.99Å; L23-K26 VanDerWaalsContact O-N 3.14Å; L23-C27 PolarHBondContact O-N 3.44Å; L23-C27 PolarHBondContact O-SG 3.47Å; L23-L128 HydrophobicContact CD1-CD1 3.89Å; L23-L128 HydrophobicContact CD1-CD2 3.4Å; L23-L128 HydrophobicContact CD1-CG 4.27Å; L23-L128 HydrophobicContact CD2-CD1 4.08Å; L23-L128 HydrophobicContact CD2-CD2 3.66Å; L23-L128 HydrophobicContact CD2-CG 4.36Å; L23-L128 HydrophobicContact CG-CD1 4.35Å; L23-L128 HydrophobicContact CG-CD2 4.14Å
24	I	59.7	Low	54.7	Low	6 Å²	6	80.2 Å²	80.2	3%	0.031	42%	0.423	C	S	.	.	H	α-helix	trans	-59.1	-44.9	176.8	-65.7	161.4	0	0	0	110.7	Y20 L21 K26 C27 L28 C40 L44 L47	Y20-I24 HydrophobicContact CD1-CD1 3.61Å; Y20-I24 HydrophobicContact CD1-CG1 4.44Å; Y20-I24 HydrophobicContact CE1-CD1 3.31Å; Y20-I24 HydrophobicContact CE1-CG1 4.16Å; Y20-I24 HydrophobicContact CE2-CD1 4.34Å; Y20-I24 HydrophobicContact CE2-CG1 4.33Å; Y20-I24 HydrophobicContact CG-CD1 4.27Å; Y20-I24 VanDerWaalsContact O-CG1 3.26Å; Y20-I24 WeakPolarHBondContact O-CG1 3.38Å; Y20-I24 PolarHBondContact O-N 2.75Å; L21-I24 PolarHBondContact O-N 3.16Å; I24-K26 VanDerWaalsContact C-N 3.3Å; I24-K26 PolarHBondContact O-N 3.2Å; I24-C27 PolarHBondContact O-N 3.36Å; I24-L28 HydrophobicContact CG2-CD1 3.75Å; I24-L28 HydrophobicContact CG2-CG 4.32Å; I24-L28 WeakPolarHBondContact O-CB 3.29Å; I24-L28 VanDerWaalsContact O-CG 3.25Å; I24-L28 WeakPolarHBondContact O-CG 3.4Å; I24-L28 PolarHBondContact O-N 3.4Å; I24-C40 HydrophobicContact CG2-CB 3.95Å; I24-C40 WeakPolarHBondContact CG2-O 3.27Å; I24-L44 HydrophobicContact CG2-CD1 4.34Å; I24-L44 HydrophobicContact CG2-CD2 3.84Å; I24-L44 HydrophobicContact CG2-CG 3.64Å; I24-L47 HydrophobicContact CD1-CD1 4.08Å
25	L	59.7	Low	55.2	Low	78 Å²	78	79 Å²	79	41%	0.408	42%	0.422	S	S	.	.	H	α-helix	trans	-65.5	-33	178.2	-71.7	173.4	0	0	0	112.5	L21 L23 R29	L21-L25 HydrophobicContact CD1-CD1 4.13Å; L21-L25 HydrophobicContact CD1-CG 4.18Å; L21-L25 HydrophobicContact CG-CD1 3.92Å; L21-L25 HydrophobicContact CG-CG 4.39Å; L21-L25 WeakPolarHBondContact O-CB 3.43Å; L21-L25 WeakPolarHBondContact O-CG 3.38Å; L21-L25 PolarHBondContact O-N 3.11Å; L23-L25 VanDerWaalsContact C-N 3.31Å; L23-L25 PolarHBondContact O-N 2.95Å; L25-R29 WeakPolarHBondContact O-CG 3.33Å; L25-R29 PolarHBondContact O-N 2.84Å
26	K	61.5	Low	55.4	Low	139 Å²	139	76.7 Å²	76.7	60%	0.604	41%	0.41	S	S	*	.	H	α-helix	trans	-68.2	-48.3	174	-166.4	179.9	-179.9	-168.7	0	110.6	S22 L23 I24 L28 R29 D30	S22-K26 VanDerWaalsContact O-CB 3.29Å; S22-K26 WeakPolarHBondContact O-CB 3.46Å; S22-K26 PolarHBondContact O-N 3.46Å; L23-K26 WeakPolarHBondContact O-CB 3.4Å; L23-K26 PolarHBondContact O-N 2.99Å; L23-K26 VanDerWaalsContact O-N 3.14Å; I24-K26 VanDerWaalsContact C-N 3.3Å; I24-K26 PolarHBondContact O-N 3.2Å; K26-L28 VanDerWaalsContact C-N 3.26Å; K26-L28 PolarHBondContact O-N 3.13Å; K26-R29 PolarHBondContact O-N 3.5Å; K26-R29 VanDerWaalsContact O-N 3.07Å; K26-D30 PolarHBondContact O-N 3.02Å
27	C	56.4	Low	55.6	Low	49 Å²	49	76.7 Å²	76.7	33%	0.331	40%	0.4	S	S	.	.	H	α-helix	trans	-61.9	-32.1	176.4	-63.7	0	0	0	0	112.9	L23 I24 S31 C40	L23-C27 PolarHBondContact O-N 3.44Å; L23-C27 PolarHBondContact O-SG 3.47Å; I24-C27 PolarHBondContact O-N 3.36Å; C27-S31 WeakPolarHBondContact O-CB 3.25Å; C27-S31 PolarHBondContact O-OG 2.82Å; C27-C40 WeakPolarHBondContact CB-SG 3.21Å
28	L	58.5	Low	55.6	Low	31 Å²	31	76.5 Å²	76.5	16%	0.162	40%	0.4	C	S	.	.	H	α-helix	trans	-74.2	-22.2	175	-75.1	168.2	0	0	0	114.2	I24 K26 R37 C40 L41 L44	I24-L28 HydrophobicContact CG2-CD1 3.75Å; I24-L28 HydrophobicContact CG2-CG 4.32Å; I24-L28 WeakPolarHBondContact O-CB 3.29Å; I24-L28 VanDerWaalsContact O-CG 3.25Å; I24-L28 WeakPolarHBondContact O-CG 3.4Å; I24-L28 PolarHBondContact O-N 3.4Å; K26-L28 VanDerWaalsContact C-N 3.26Å; K26-L28 PolarHBondContact O-N 3.13Å; L28-R37 HydrophobicContact CD2-CG 4.09Å; L28-C40 HydrophobicContact CD1-CB 4.2Å; L28-C40 HydrophobicContact CD2-CB 3.48Å; L28-C40 VanDerWaalsContact CD2-CB 3.48Å; L28-C40 HydrophobicContact CG-CB 3.61Å; L28-L41 HydrophobicContact CD2-CD2 4.5Å; L28-L41 HydrophobicContact CD2-CG 4.26Å; L28-L44 HydrophobicContact CD1-CD1 3.37Å; L28-L44 HydrophobicContact CD1-CG 4.13Å
29	R	56.9	Low	55.8	Low	213 Å²	213	72.9 Å²	72.9	80%	0.804	38%	0.382	S	S	*	.	H	α-helix	trans	-81.7	-29.1	179.3	-79.1	179.4	-172.4	-158.8	3.3	113.2	L25 K26	L25-R29 WeakPolarHBondContact O-CG 3.33Å; L25-R29 PolarHBondContact O-N 2.84Å; K26-R29 PolarHBondContact O-N 3.5Å; K26-R29 VanDerWaalsContact O-N 3.07Å
30	D	55.1	Low	55.9	Low	138 Å²	138	66.3 Å²	66.3	74%	0.738	36%	0.355	S	S	*	.	S	Bend	trans	-100	-1.2	-175.3	-78.5	-33.6	0	0	0	114.6	K26	K26-D30 PolarHBondContact O-N 3.02Å
31	S	49.8	Very low	55.9	Low	27 Å²	27	65.1 Å²	65.1	19%	0.189	35%	0.351	C	S	.	.			trans	-95.9	104.2	-171.9	39.6	0	0	0	0	114.1	C27	C27-S31 WeakPolarHBondContact O-CB 3.25Å; C27-S31 PolarHBondContact O-OG 2.82Å
32	S	49.2	Very low	56	Low	110 Å²	110	63.5 Å²	63.5	77%	0.769	34%	0.342	S	S	*	.	S	Bend	trans	-80.7	109.9	154.8	56.8	0	0	0	0	109.6
33	L	42.7	Very low	55.9	Low	151 Å²	151	60.3 Å²	60.3	79%	0.791	32%	0.32	S	S	*	.	S	Bend	trans	33.6	91.6	170.3	-75.7	101.3	0	0	0	118.2
34	C	57.4	Low	56	Low	48 Å²	48	59.5 Å²	59.5	32%	0.324	32%	0.315	S	S	.	.	S	Bend	trans	-162.1	177.8	152.5	80.6	0	0	0	0	112	A36 R37 D116	C34-A36 PolarHBondContact O-N 2.83Å; C34-R37 PolarHBondContact O-N 3.49Å; C34-D116 PolarHBondContact SG-OD2 3.33Å
35	C	52.5	Low	55.9	Low	56 Å²	56	59.7 Å²	59.7	38%	0.378	32%	0.317	S	S	.	.	H	α-helix	trans	-49.8	-24.9	179.5	-56.2	0	0	0	0	115	R37 L38 C39 Y112	C35-R37 VanDerWaalsContact C-N 3.32Å; C35-R37 PolarHBondContact O-N 2.86Å; C35-L38 WeakPolarHBondContact O-CB 3.15Å; C35-L38 PolarHBondContact O-N 3.49Å; C35-C39 PolarHBondContact O-N 2.88Å; C35-C39 PolarHBondContact O-SG 3.33Å; C35-Y112 HydrophobicContact CB-CD1 4.15Å; C35-Y112 HydrophobicContact CB-CE1 3.52Å
36	A	52.3	Low	55.9	Low	27 Å²	27	57 Å²	57	22%	0.223	30%	0.302	C	S	.	.	H	α-helix	trans	-60.5	-37.4	173.8	0	0	0	0	0	112.8	C34 C39 C40	C34-A36 PolarHBondContact O-N 2.83Å; A36-C39 PolarHBondContact O-N 2.84Å; A36-C40 WeakPolarHBondContact O-CB 3.3Å; A36-C40 PolarHBondContact O-N 2.84Å; A36-C40 PolarHBondContact O-SG 3.4Å
37	R	54.4	Low	55.7	Low	71 Å²	71	50.6 Å²	50.6	27%	0.268	27%	0.274	S	S	.	.	H	α-helix	trans	-66.7	-44	176	-171.1	-177.6	-179.5	97.3	1.3	111	L28 C34 C35 C39 C40 L41 H80	L28-R37 HydrophobicContact CD2-CG 4.09Å; C34-R37 PolarHBondContact O-N 3.49Å; C35-R37 VanDerWaalsContact C-N 3.32Å; C35-R37 PolarHBondContact O-N 2.86Å; R37-C39 VanDerWaalsContact C-N 3.31Å; R37-C39 PolarHBondContact O-N 2.99Å; R37-C40 PolarHBondContact O-N 3.27Å; R37-L41 HydrophobicContact CG-CD1 4Å; R37-L41 WeakPolarHBondContact O-CD1 3.36Å; R37-L41 VanDerWaalsContact O-CG 3.26Å; R37-L41 WeakPolarHBondContact O-CG 3.17Å; R37-L41 PolarHBondContact O-N 3.02Å; R37-H80 PolarHBondContact NH2-O 3.31Å
38	L	54.1	Low	55.7	Low	35 Å²	35	50.1 Å²	50.1	18%	0.183	27%	0.274	C	S	.	.	H	α-helix	trans	-58.2	-45.6	174.7	178.5	62.7	0	0	0	110.7	C35 L41 L42 I88	C35-L38 WeakPolarHBondContact O-CB 3.15Å; C35-L38 PolarHBondContact O-N 3.49Å; L38-L41 PolarHBondContact O-N 2.64Å; L38-L42 HydrophobicContact CD1-CD1 4.27Å; L38-L42 HydrophobicContact CD1-CG 4.36Å; L38-L42 HydrophobicContact CG-CD1 3.98Å; L38-L42 HydrophobicContact CG-CG 4.5Å; L38-L42 WeakPolarHBondContact O-CB 3.45Å; L38-L42 VanDerWaalsContact O-CG 3.25Å; L38-L42 WeakPolarHBondContact O-CG 3.48Å; L38-L42 PolarHBondContact O-N 3.44Å; L38-I88 HydrophobicContact CD1-CB 4.1Å; L38-I88 HydrophobicContact CD1-CG1 3.94Å; L38-I88 HydrophobicContact CD1-CG2 3.5Å; L38-I88 VanDerWaalsContact CD1-CG2 3.5Å
39	C	57.1	Low	55.7	Low	16 Å²	16	50.5 Å²	50.5	11%	0.108	28%	0.276	C	S	.	.	H	α-helix	trans	-62.1	-43.6	176.7	-69.9	0	0	0	0	112.3	C35 A36 R37 L41 L42 S43 K109	C35-C39 PolarHBondContact O-N 2.88Å; C35-C39 PolarHBondContact O-SG 3.33Å; A36-C39 PolarHBondContact O-N 2.84Å; R37-C39 VanDerWaalsContact C-N 3.31Å; R37-C39 PolarHBondContact O-N 2.99Å; C39-L41 VanDerWaalsContact C-N 3.32Å; C39-L41 PolarHBondContact O-N 2.75Å; C39-L42 PolarHBondContact O-N 3.45Å; C39-S43 WeakPolarHBondContact O-CB 3.32Å; C39-S43 PolarHBondContact O-N 3.49Å; C39-S43 PolarHBondContact O-OG 2.82Å; C39-S43 VanDerWaalsContact O-OG 3.12Å; C39-K109 HydrophobicContact CB-CB 3.97Å; C39-K109 HydrophobicContact CB-CG 4.49Å
40	C	59.4	Low	55.8	Low	13 Å²	13	43.8 Å²	43.8	9%	0.088	25%	0.254	C	S	.	.	H	α-helix	trans	-62.4	-39.2	176.2	-70.8	0	0	0	0	112.4	I24 C27 L28 A36 R37 S43 L44	I24-C40 HydrophobicContact CG2-CB 3.95Å; I24-C40 WeakPolarHBondContact CG2-O 3.27Å; C27-C40 WeakPolarHBondContact CB-SG 3.21Å; L28-C40 HydrophobicContact CD1-CB 4.2Å; L28-C40 HydrophobicContact CD2-CB 3.48Å; L28-C40 VanDerWaalsContact CD2-CB 3.48Å; L28-C40 HydrophobicContact CG-CB 3.61Å; A36-C40 WeakPolarHBondContact O-CB 3.3Å; A36-C40 PolarHBondContact O-N 2.84Å; A36-C40 PolarHBondContact O-SG 3.4Å; R37-C40 PolarHBondContact O-N 3.27Å; C40-S43 PolarHBondContact O-N 3.23Å; C40-L44 WeakPolarHBondContact O-CG 3.46Å; C40-L44 PolarHBondContact O-N 3.39Å
41	L	57.1	Low	55.8	Low	6 Å²	6	43.7 Å²	43.7	3%	0.031	24%	0.243	C	C	.	.	H	α-helix	trans	-69.6	-41.5	177	-70.4	158.9	0	0	0	112.2	L28 R37 L38 C39 S43 L44 T45 L77 H80 T81	L28-L41 HydrophobicContact CD2-CD2 4.5Å; L28-L41 HydrophobicContact CD2-CG 4.26Å; R37-L41 HydrophobicContact CG-CD1 4Å; R37-L41 WeakPolarHBondContact O-CD1 3.36Å; R37-L41 VanDerWaalsContact O-CG 3.26Å; R37-L41 WeakPolarHBondContact O-CG 3.17Å; R37-L41 PolarHBondContact O-N 3.02Å; L38-L41 PolarHBondContact O-N 2.64Å; C39-L41 VanDerWaalsContact C-N 3.32Å; C39-L41 PolarHBondContact O-N 2.75Å; L41-S43 VanDerWaalsContact C-N 3.28Å; L41-S43 PolarHBondContact O-N 3.15Å; L41-L44 PolarHBondContact O-N 3.4Å; L41-T45 WeakPolarHBondContact O-CG2 3.33Å; L41-T45 PolarHBondContact O-N 3.28Å; L41-T45 PolarHBondContact O-OG1 2.89Å; L41-L77 HydrophobicContact CB-CD2 4.39Å; L41-H80 HydrophobicContact CD2-CB 3.84Å; L41-T81 HydrophobicContact CD1-CG2 3.1Å; L41-T81 HydrophobicContact CD2-CG2 4.12Å; L41-T81 HydrophobicContact CG-CG2 4.22Å
42	L	59.9	Low	55.9	Low	7 Å²	7	45.2 Å²	45.2	4%	0.037	25%	0.245	C	C	.	.	H	α-helix	trans	-62.6	-36.9	173	-71.2	169.4	0	0	0	111.6	L38 C39 T45 H46 A92	L38-L42 HydrophobicContact CD1-CD1 4.27Å; L38-L42 HydrophobicContact CD1-CG 4.36Å; L38-L42 HydrophobicContact CG-CD1 3.98Å; L38-L42 HydrophobicContact CG-CG 4.5Å; L38-L42 WeakPolarHBondContact O-CB 3.45Å; L38-L42 VanDerWaalsContact O-CG 3.25Å; L38-L42 WeakPolarHBondContact O-CG 3.48Å; L38-L42 PolarHBondContact O-N 3.44Å; C39-L42 PolarHBondContact O-N 3.45Å; L42-T45 WeakPolarHBondContact CA-OG1 3.25Å; L42-T45 PolarHBondContact O-OG1 2.84Å; L42-H46 WeakPolarHBondContact O-CB 3.42Å; L42-H46 PolarHBondContact O-N 3.27Å; L42-A92 HydrophobicContact CD2-CB 3.81Å
43	S	59.9	Low	56.1	Low	5 Å²	5	42.7 Å²	42.7	4%	0.035	22%	0.223	C	C	.	.	H	α-helix	trans	-71	-35.6	174.1	-70.6	0	0	0	0	112.6	Y20 C39 C40 L41 L47	Y20-S43 WeakPolarHBondContact OH-CB 3.34Å; Y20-S43 PolarHBondContact OH-OG 3.48Å; C39-S43 WeakPolarHBondContact O-CB 3.32Å; C39-S43 PolarHBondContact O-N 3.49Å; C39-S43 PolarHBondContact O-OG 2.82Å; C39-S43 VanDerWaalsContact O-OG 3.12Å; C40-S43 PolarHBondContact O-N 3.23Å; L41-S43 VanDerWaalsContact C-N 3.28Å; L41-S43 PolarHBondContact O-N 3.15Å; S43-L47 WeakPolarHBondContact O-CB 3.47Å; S43-L47 PolarHBondContact O-N 3.26Å
44	L	61.4	Low	56.4	Low	23 Å²	23	41.4 Å²	41.4	12%	0.12	21%	0.208	C	C	.	.	H	α-helix	trans	-66.2	-41.6	171.8	-81	-178.1	0	0	0	112.3	L21 I24 L28 C40 L41 L47 A48	L21-L44 HydrophobicContact CD1-CD2 3.76Å; I24-L44 HydrophobicContact CG2-CD1 4.34Å; I24-L44 HydrophobicContact CG2-CD2 3.84Å; I24-L44 HydrophobicContact CG2-CG 3.64Å; L28-L44 HydrophobicContact CD1-CD1 3.37Å; L28-L44 HydrophobicContact CD1-CG 4.13Å; C40-L44 WeakPolarHBondContact O-CG 3.46Å; C40-L44 PolarHBondContact O-N 3.39Å; L41-L44 PolarHBondContact O-N 3.4Å; L44-L47 PolarHBondContact O-N 3.11Å; L44-A48 WeakPolarHBondContact O-CB 3.48Å; L44-A48 PolarHBondContact O-N 3.08Å
45	T	57.8	Low	55.9	Low	10 Å²	10	42.9 Å²	42.9	6%	0.061	21%	0.212	C	C	.	.	H	α-helix	trans	-65.1	-42.7	176.6	51.3	0	0	0	0	110.3	L41 L42 L47 A48 I49 I73 L77	L41-T45 WeakPolarHBondContact O-CG2 3.33Å; L41-T45 PolarHBondContact O-N 3.28Å; L41-T45 PolarHBondContact O-OG1 2.89Å; L42-T45 WeakPolarHBondContact CA-OG1 3.25Å; L42-T45 PolarHBondContact O-OG1 2.84Å; T45-L47 PolarHBondContact O-N 3.07Å; T45-A48 PolarHBondContact O-N 3.14Å; T45-I49 VanDerWaalsContact O-CD1 3.3Å; T45-I49 WeakPolarHBondContact O-CD1 3.32Å; T45-I49 WeakPolarHBondContact O-CG1 3.29Å; T45-I49 PolarHBondContact O-N 3.39Å; T45-I73 HydrophobicContact CG2-CG2 4.04Å; T45-L77 HydrophobicContact CG2-CD2 3.86Å; T45-L77 HydrophobicContact CG2-CG 4.07Å
46	H	59.6	Low	55.7	Low	22 Å²	22	46.2 Å²	46.2	10%	0.102	22%	0.216	C	C	.	.	H	α-helix	trans	-63.2	-40.5	173.7	-158.1	-81.1	0	0	0	112.1	L42 A48 I49 Q50 L100 L102	L42-H46 WeakPolarHBondContact O-CB 3.42Å; L42-H46 PolarHBondContact O-N 3.27Å; H46-A48 PolarHBondContact O-N 3.43Å; H46-I49 PolarHBondContact O-N 3.39Å; H46-Q50 PolarHBondContact O-N 2.9Å; H46-L100 PolarHBondContact CE1-O 3.3Å; H46-L100 PolarHBondContact NE2-O 2.91Å; H46-L102 HydrophobicContact CB-CD1 3.85Å; H46-L102 WeakPolarHBondContact CE1-CA 3.44Å; H46-L102 WeakPolarHBondContact ND1-CB 3.46Å; H46-L102 WeakPolarHBondContact ND1-CD1 3.3Å
47	L	58.2	Low	55.7	Low	4 Å²	4	52.7 Å²	52.7	2%	0.021	24%	0.242	C	C	.	.	H	α-helix	trans	-61.6	-43.6	173.7	-122.5	82.7	0	0	0	113	F17 Y20 L21 I24 S43 L44 T45 I49 Q50 R51 L102	F17-L47 HydrophobicContact CD2-CD2 3.87Å; F17-L47 HydrophobicContact CD2-CG 4.08Å; F17-L47 HydrophobicContact CE1-CD2 4.35Å; F17-L47 HydrophobicContact CE2-CB 4.44Å; F17-L47 HydrophobicContact CE2-CD2 3.33Å; F17-L47 HydrophobicContact CE2-CG 3.55Å; F17-L47 HydrophobicContact CZ-CD2 3.59Å; F17-L47 HydrophobicContact CZ-CG 4.24Å; Y20-L47 HydrophobicContact CD1-CD1 3.31Å; Y20-L47 HydrophobicContact CE1-CD1 3.3Å; L21-L47 HydrophobicContact CB-CD2 3.93Å; L21-L47 HydrophobicContact CD1-CD2 3.88Å; L21-L47 HydrophobicContact CG-CD2 4.41Å; I24-L47 HydrophobicContact CD1-CD1 4.08Å; S43-L47 WeakPolarHBondContact O-CB 3.47Å; S43-L47 PolarHBondContact O-N 3.26Å; L44-L47 PolarHBondContact O-N 3.11Å; T45-L47 PolarHBondContact O-N 3.07Å; L47-I49 VanDerWaalsContact C-N 3.28Å; L47-I49 PolarHBondContact O-N 3.14Å; L47-Q50 PolarHBondContact O-N 3.16Å; L47-R51 VanDerWaalsContact O-CB 3.25Å; L47-R51 WeakPolarHBondContact O-CB 3.4Å; L47-R51 PolarHBondContact O-N 2.9Å; L47-L102 HydrophobicContact CD1-CD1 3.72Å; L47-L102 HydrophobicContact CD1-CD2 3.47Å; L47-L102 VanDerWaalsContact CD1-CD2 3.47Å; L47-L102 HydrophobicContact CD1-CG 4.16Å; L47-L102 HydrophobicContact CG-CD2 4.28Å
48	A	57.1	Low	55.4	Low	40 Å²	40	53.5 Å²	53.5	33%	0.331	26%	0.255	S	S	.	.	H	α-helix	trans	-64.1	-38.1	178.8	0	0	0	0	0	110.5	L44 T45 H46 R52 L76	L44-A48 WeakPolarHBondContact O-CB 3.48Å; L44-A48 PolarHBondContact O-N 3.08Å; T45-A48 PolarHBondContact O-N 3.14Å; H46-A48 PolarHBondContact O-N 3.43Å; A48-R52 WeakPolarHBondContact O-CB 3.26Å; A48-R52 PolarHBondContact O-N 2.89Å; A48-L76 HydrophobicContact CB-CD1 4.22Å
49	I	58.4	Low	55	Low	39 Å²	39	55.4 Å²	55.4	20%	0.2	27%	0.271	C	S	.	.	H	α-helix	trans	-68.3	-46.7	175.5	-65.7	159.8	0	0	0	110.7	T45 H46 L47 R52 D53 I73 L96	T45-I49 VanDerWaalsContact O-CD1 3.3Å; T45-I49 WeakPolarHBondContact O-CD1 3.32Å; T45-I49 WeakPolarHBondContact O-CG1 3.29Å; T45-I49 PolarHBondContact O-N 3.39Å; H46-I49 PolarHBondContact O-N 3.39Å; L47-I49 VanDerWaalsContact C-N 3.28Å; L47-I49 PolarHBondContact O-N 3.14Å; I49-R52 CarbonylContact O-C 3.57Å; I49-R52 WeakPolarHBondContact O-CA 3.43Å; I49-R52 WeakPolarHBondContact O-CB 3.22Å; I49-R52 PolarHBondContact O-N 2.92Å; I49-R52 VanDerWaalsContact O-N 3.15Å; I49-D53 PolarHBondContact O-N 3.23Å; I49-I73 HydrophobicContact CD1-CD1 4.08Å; I49-I73 HydrophobicContact CG1-CD1 4.42Å; I49-L96 HydrophobicContact CD1-CD2 3.38Å
50	Q	58	Low	54.2	Low	72 Å²	72	63.6 Å²	63.6	34%	0.336	31%	0.314	S	S	.	.	H	α-helix	trans	-67.6	-39.9	179.1	-75.9	-147.4	-23.7	0	0	113.4	H46 L47 R52 D53 W54 L102	H46-Q50 PolarHBondContact O-N 2.9Å; L47-Q50 PolarHBondContact O-N 3.16Å; Q50-R52 PolarHBondContact O-N 3.42Å; Q50-D53 PolarHBondContact O-N 3.29Å; Q50-W54 WeakPolarHBondContact O-CB 3.26Å; Q50-W54 PolarHBondContact O-N 3.27Å; Q50-L102 HydrophobicContact CG-CB 4.16Å; Q50-L102 HydrophobicContact CG-CD2 4.49Å; Q50-L102 VanDerWaalsContact NE2-CB 3.26Å
51	R	55.8	Low	53.7	Low	135 Å²	135	65.8 Å²	65.8	51%	0.509	34%	0.338	S	S	.	.	H	α-helix	trans	-61.9	-36	172.3	-174.9	173.3	-178.9	147.5	-0.2	110.7	F17 L47 L55	F17-R51 HydrophobicContact CE2-CB 4.19Å; F17-R51 HydrophobicContact CZ-CB 4.41Å; L47-R51 VanDerWaalsContact O-CB 3.25Å; L47-R51 WeakPolarHBondContact O-CB 3.4Å; L47-R51 PolarHBondContact O-N 2.9Å; R51-L55 HydrophobicContact CG-CD1 4.31Å; R51-L55 WeakPolarHBondContact O-CB 3.39Å; R51-L55 WeakPolarHBondContact O-CG 3.37Å; R51-L55 PolarHBondContact O-N 2.88Å
52	R	50.8	Low	53.1	Low	60 Å²	60	74.7 Å²	74.7	23%	0.226	38%	0.38	C	S	.	.	H	α-helix	trans	-71.2	-38.8	174.2	-179.2	-179.2	162.6	-149.3	-8.8	112.3	A48 I49 Q50 W54 L55 R56 M69	A48-R52 WeakPolarHBondContact O-CB 3.26Å; A48-R52 PolarHBondContact O-N 2.89Å; I49-R52 CarbonylContact O-C 3.57Å; I49-R52 WeakPolarHBondContact O-CA 3.43Å; I49-R52 WeakPolarHBondContact O-CB 3.22Å; I49-R52 PolarHBondContact O-N 2.92Å; I49-R52 VanDerWaalsContact O-N 3.15Å; Q50-R52 PolarHBondContact O-N 3.42Å; R52-W54 VanDerWaalsContact C-N 3.32Å; R52-L55 CarbonylContact O-C 3.55Å; R52-L55 PolarHBondContact O-N 3.42Å; R52-R56 WeakPolarHBondContact O-CB 3.41Å; R52-R56 VanDerWaalsContact O-CG 3.27Å; R52-R56 WeakPolarHBondContact O-CG 3.21Å; R52-R56 PolarHBondContact O-N 3.36Å; R52-M69 VanDerWaalsContact CZ-SD 3.51Å; R52-M69 PolarHBondContact NH1-SD 2.89Å; R52-M69 PolarHBondContact NH2-SD 2.89Å
53	D	53.5	Low	52.4	Low	57 Å²	57	85.3 Å²	85.3	31%	0.305	42%	0.421	S	S	.	.	H	α-helix	trans	-66.4	-34.5	173.5	-75.7	-22.2	0	0	0	112.3	I49 Q50 R56 Q57	I49-D53 PolarHBondContact O-N 3.23Å; Q50-D53 PolarHBondContact O-N 3.29Å; D53-R56 WeakPolarHBondContact O-CB 3.35Å; D53-R56 PolarHBondContact O-N 3.36Å; D53-R56 WeakPolarHBondContact OD1-CD 3.45Å; D53-R56 IonicContact OD1-CZ 3.35Å; D53-R56 IonicContact OD1-NE 3.58Å; D53-R56 IonicContact OD1-NH1 3.85Å; D53-R56 PolarHBondContact OD1-NH1 3.47Å; D53-Q57 PolarHBondContact O-N 2.98Å
54	W	49.7	Very low	51.9	Low	124 Å²	124	88 Å²	88	47%	0.47	44%	0.439	S	S	.	.	H	α-helix	trans	-66.9	-45.1	170	-174.7	84.7	0	0	0	111.1	L14 Q50 R52 R56 Q57 T58	L14-W54 HydrophobicContact CD1-CZ2 4.39Å; Q50-W54 WeakPolarHBondContact O-CB 3.26Å; Q50-W54 PolarHBondContact O-N 3.27Å; R52-W54 VanDerWaalsContact C-N 3.32Å; W54-R56 VanDerWaalsContact C-N 3.33Å; W54-R56 PolarHBondContact O-N 3.43Å; W54-Q57 PolarHBondContact O-N 3.28Å; W54-Q57 VanDerWaalsContact O-N 3.13Å; W54-T58 PolarHBondContact O-OG1 2.68Å
55	L	47	Very low	51.3	Low	79 Å²	79	89.5 Å²	89.5	41%	0.414	45%	0.451	S	S	.	.	H	α-helix	trans	-63	-36.9	173.6	-72.8	166.1	0	0	0	112.2	R51 R52 Q57 T58 S59	R51-L55 HydrophobicContact CG-CD1 4.31Å; R51-L55 WeakPolarHBondContact O-CB 3.39Å; R51-L55 WeakPolarHBondContact O-CG 3.37Å; R51-L55 PolarHBondContact O-N 2.88Å; R52-L55 CarbonylContact O-C 3.55Å; R52-L55 PolarHBondContact O-N 3.42Å; L55-Q57 PolarHBondContact O-N 2.97Å; L55-T58 WeakPolarHBondContact CA-OG1 3.36Å; L55-T58 PolarHBondContact O-N 3.05Å; L55-T58 PolarHBondContact O-OG1 3.38Å; L55-S59 PolarHBondContact O-N 3.3Å; L55-S59 PolarHBondContact O-OG 2.85Å
56	R	48.1	Very low	50.8	Low	125 Å²	125	96.7 Å²	96.7	47%	0.472	48%	0.484	S	S	.	.	H	α-helix	trans	-57.5	-25.9	173.2	-79.7	176.5	-179.4	173.4	-8.3	112.8	R52 D53 W54 M69	R52-R56 WeakPolarHBondContact O-CB 3.41Å; R52-R56 VanDerWaalsContact O-CG 3.27Å; R52-R56 WeakPolarHBondContact O-CG 3.21Å; R52-R56 PolarHBondContact O-N 3.36Å; D53-R56 WeakPolarHBondContact O-CB 3.35Å; D53-R56 PolarHBondContact O-N 3.36Å; D53-R56 WeakPolarHBondContact OD1-CD 3.45Å; D53-R56 IonicContact OD1-CZ 3.35Å; D53-R56 IonicContact OD1-NE 3.58Å; D53-R56 IonicContact OD1-NH1 3.85Å; D53-R56 PolarHBondContact OD1-NH1 3.47Å; W54-R56 VanDerWaalsContact C-N 3.33Å; W54-R56 PolarHBondContact O-N 3.43Å; R56-M69 PolarHBondContact NH2-SD 3.18Å
57	Q	51.8	Low	50.3	Low	164 Å²	164	98.7 Å²	98.7	77%	0.766	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.7	-10.1	177.5	-68.5	176.8	13.7	0	0	113.2	D53 W54 L55	D53-Q57 PolarHBondContact O-N 2.98Å; W54-Q57 PolarHBondContact O-N 3.28Å; W54-Q57 VanDerWaalsContact O-N 3.13Å; L55-Q57 PolarHBondContact O-N 2.97Å
58	T	49.3	Very low	50	Low	87 Å²	87	101.7 Å²	101.7	53%	0.534	52%	0.516	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.6	-7.8	-171.9	55.1	0	0	0	0	115.3	W54 L55	W54-T58 PolarHBondContact O-OG1 2.68Å; L55-T58 WeakPolarHBondContact CA-OG1 3.36Å; L55-T58 PolarHBondContact O-N 3.05Å; L55-T58 PolarHBondContact O-OG1 3.38Å
59	S	46.1	Very low	49.5	Very low	76 Å²	76	102.2 Å²	102.2	53%	0.531	51%	0.513	S	S	.	.			trans	-140.7	120	-176.9	56.2	0	0	0	0	113	L55 G61	L55-S59 PolarHBondContact O-N 3.3Å; L55-S59 PolarHBondContact O-OG 2.85Å; S59-G61 VanDerWaalsContact C-N 3.32Å; S59-G61 PolarHBondContact O-N 2.79Å
60	D	40.1	Very low	49.1	Very low	188 Å²	188	104.7 Å²	104.7	100%	1.005	52%	0.523	S	S	*	.			trans	-70.6	75.6	172.3	-72.7	-35.8	0	0	0	111.4
61	G	47.7	Very low	49.1	Very low	58 Å²	58	107.4 Å²	107.4	60%	0.598	53%	0.534	S	S	*	.			trans	-131.9	150.2	-179.4	0	0	0	0	0	113.8	S59	S59-G61 VanDerWaalsContact C-N 3.32Å; S59-G61 PolarHBondContact O-N 2.79Å
62	E	45.1	Very low	49	Very low	194 Å²	194	104.5 Å²	104.5	91%	0.907	53%	0.534	S	S	*	.	P	Polyproline II helix	trans	-50.6	140.2	-177.1	-83.8	179.7	145.6	0	0	114.4	P64	E62-P64 WeakPolarHBondContact O-CD 3.35Å
63	Y	45.8	Very low	49.1	Very low	229 Å²	229	103 Å²	103	90%	0.898	53%	0.53	S	S	*	.	P	Polyproline II helix	trans	-69.8	120.7	-175.6	-55.7	-90.2	0	0	0	112.7
64	P	48	Very low	49.2	Very low	62 Å²	62	104.4 Å²	104.4	40%	0.403	54%	0.535	S	S	.	.	P	Polyproline II helix	trans	-77.2	135.8	164.5	28.9	-31.9	0	0	0	110.5	E62 D68	E62-P64 WeakPolarHBondContact O-CD 3.35Å; P64-D68 HydrophobicContact CB-CB 4.08Å
65	S	49.4	Very low	49.6	Very low	55 Å²	55	102.9 Å²	102.9	39%	0.385	54%	0.54	S	S	.	.	P	Polyproline II helix	trans	-65.8	162.7	-176.8	59.6	0	0	0	0	112.3	S67 D68 M69	S65-S67 PolarHBondContact O-N 3.38Å; S65-S67 PolarHBondContact OG-OG 2.92Å; S65-D68 PolarHBondContact N-OD2 2.85Å; S65-D68 WeakPolarHBondContact O-CB 3.36Å; S65-D68 PolarHBondContact O-N 3.01Å; S65-D68 PolarHBondContact OG-OD2 3.1Å; S65-M69 WeakPolarHBondContact O-CG 3.32Å; S65-M69 PolarHBondContact O-N 3.37Å
66	E	46.6	Very low	50.1	Low	161 Å²	161	102.1 Å²	102.1	75%	0.752	54%	0.536	S	S	*	.	H	α-helix	trans	-54.2	-36.1	176.3	-166.4	169	-167.2	0	0	112.6	D68 M69 Q70	E66-D68 PolarHBondContact O-N 2.84Å; E66-M69 HydrophobicContact CB-CE 4.2Å; E66-M69 HydrophobicContact CG-CE 4.3Å; E66-M69 WeakPolarHBondContact O-CB 3.21Å; E66-M69 PolarHBondContact O-N 3.25Å; E66-Q70 PolarHBondContact O-N 2.96Å; E66-Q70 VanDerWaalsContact O-N 3.1Å
67	S	48.9	Very low	50.4	Low	63 Å²	63	96.9 Å²	96.9	44%	0.441	52%	0.517	S	S	.	.	H	α-helix	trans	-64.4	-33.6	173.4	54.1	0	0	0	0	114.2	S65 Q70 K71	S65-S67 PolarHBondContact O-N 3.38Å; S65-S67 PolarHBondContact OG-OG 2.92Å; S67-Q70 PolarHBondContact O-N 3.1Å; S67-K71 WeakPolarHBondContact O-CG 3.36Å; S67-K71 PolarHBondContact O-N 3.21Å
68	D	52.2	Low	50.6	Low	68 Å²	68	92.5 Å²	92.5	36%	0.364	51%	0.509	S	S	.	.	H	α-helix	trans	-74.7	-30.3	177.1	-67.2	-26.7	0	0	0	111.5	P64 S65 E66 S72	P64-D68 HydrophobicContact CB-CB 4.08Å; S65-D68 PolarHBondContact N-OD2 2.85Å; S65-D68 WeakPolarHBondContact O-CB 3.36Å; S65-D68 PolarHBondContact O-N 3.01Å; S65-D68 PolarHBondContact OG-OD2 3.1Å; E66-D68 PolarHBondContact O-N 2.84Å; D68-S72 WeakPolarHBondContact O-CB 3.28Å; D68-S72 PolarHBondContact O-N 2.93Å; D68-S72 PolarHBondContact O-OG 2.99Å
69	M	48.2	Very low	50.9	Low	51 Å²	51	96.4 Å²	96.4	25%	0.251	52%	0.518	S	S	.	.	H	α-helix	trans	-64.6	-47.1	171.7	-47.9	-154.6	-115.4	0	0	110.8	R52 R56 S65 E66 S72 I73	R52-M69 VanDerWaalsContact CZ-SD 3.51Å; R52-M69 PolarHBondContact NH1-SD 2.89Å; R52-M69 PolarHBondContact NH2-SD 2.89Å; R56-M69 PolarHBondContact NH2-SD 3.18Å; S65-M69 WeakPolarHBondContact O-CG 3.32Å; S65-M69 PolarHBondContact O-N 3.37Å; E66-M69 HydrophobicContact CB-CE 4.2Å; E66-M69 HydrophobicContact CG-CE 4.3Å; E66-M69 WeakPolarHBondContact O-CB 3.21Å; E66-M69 PolarHBondContact O-N 3.25Å; M69-S72 PolarHBondContact O-N 3.48Å; M69-I73 WeakPolarHBondContact O-CG1 3.02Å; M69-I73 PolarHBondContact O-N 3.26Å
70	Q	50	Low	51.2	Low	91 Å²	91	97.2 Å²	97.2	43%	0.425	51%	0.514	S	S	.	.	H	α-helix	trans	-59.9	-48.8	178.6	-172.5	178.6	-15.6	0	0	110.7	E66 S67 S72 I73 E74	E66-Q70 PolarHBondContact O-N 2.96Å; E66-Q70 VanDerWaalsContact O-N 3.1Å; S67-Q70 PolarHBondContact O-N 3.1Å; Q70-S72 VanDerWaalsContact C-N 3.31Å; Q70-S72 PolarHBondContact O-N 3.15Å; Q70-I73 PolarHBondContact O-N 3.01Å; Q70-E74 HydrophobicContact CG-CG 4.43Å; Q70-E74 WeakPolarHBondContact CG-OE1 3.4Å; Q70-E74 PolarHBondContact NE2-OE1 3.03Å; Q70-E74 WeakPolarHBondContact O-CB 3.4Å; Q70-E74 VanDerWaalsContact O-CG 3.25Å; Q70-E74 WeakPolarHBondContact O-CG 3.48Å; Q70-E74 PolarHBondContact O-N 3.05Å
71	K	56.5	Low	51.8	Low	128 Å²	128	89.1 Å²	89.1	56%	0.557	47%	0.471	S	S	*	.	H	α-helix	trans	-59.3	-38.4	175.8	-76.8	178.1	-178.9	173.4	0	113.4	S67 E74 T75	S67-K71 WeakPolarHBondContact O-CG 3.36Å; S67-K71 PolarHBondContact O-N 3.21Å; K71-E74 PolarHBondContact O-N 3.49Å; K71-T75 WeakPolarHBondContact O-CB 3.48Å; K71-T75 PolarHBondContact O-N 3.47Å; K71-T75 PolarHBondContact O-OG1 3.47Å
72	S	54.6	Low	52	Low	74 Å²	74	90.9 Å²	90.9	52%	0.517	48%	0.48	S	S	.	.	H	α-helix	trans	-67.9	-41.4	179.5	-62.8	0	0	0	0	111.8	D68 M69 Q70 T75 L76	D68-S72 WeakPolarHBondContact O-CB 3.28Å; D68-S72 PolarHBondContact O-N 2.93Å; D68-S72 PolarHBondContact O-OG 2.99Å; M69-S72 PolarHBondContact O-N 3.48Å; Q70-S72 VanDerWaalsContact C-N 3.31Å; Q70-S72 PolarHBondContact O-N 3.15Å; S72-T75 PolarHBondContact O-N 3.03Å; S72-L76 WeakPolarHBondContact O-CB 3.46Å; S72-L76 PolarHBondContact O-N 2.8Å
73	I	53.3	Low	52.3	Low	28 Å²	28	85.6 Å²	85.6	14%	0.144	46%	0.458	C	S	.	.	H	α-helix	trans	-66.9	-44.3	174.9	-67	166.1	0	0	0	110.3	T45 I49 M69 Q70 T75 L76 L77 L96	T45-I73 HydrophobicContact CG2-CG2 4.04Å; I49-I73 HydrophobicContact CD1-CD1 4.08Å; I49-I73 HydrophobicContact CG1-CD1 4.42Å; M69-I73 WeakPolarHBondContact O-CG1 3.02Å; M69-I73 PolarHBondContact O-N 3.26Å; Q70-I73 PolarHBondContact O-N 3.01Å; I73-T75 VanDerWaalsContact C-N 3.31Å; I73-T75 PolarHBondContact O-N 3.05Å; I73-L76 PolarHBondContact O-N 3.38Å; I73-L77 HydrophobicContact CG2-CD1 3.79Å; I73-L77 HydrophobicContact CG2-CG 4.33Å; I73-L77 WeakPolarHBondContact O-CB 3.42Å; I73-L77 VanDerWaalsContact O-CG 3.29Å; I73-L77 WeakPolarHBondContact O-CG 3.26Å; I73-L77 PolarHBondContact O-N 3.41Å; I73-L96 HydrophobicContact CD1-CD1 4.1Å; I73-L96 HydrophobicContact CD1-CD2 3.87Å
74	E	53.8	Low	52.5	Low	87 Å²	87	84.6 Å²	84.6	41%	0.407	45%	0.454	S	S	.	.	H	α-helix	trans	-58.4	-41.7	174.5	-75.4	172.4	-180	0	0	111.7	Q70 K71 A78	Q70-E74 HydrophobicContact CG-CG 4.43Å; Q70-E74 WeakPolarHBondContact CG-OE1 3.4Å; Q70-E74 PolarHBondContact NE2-OE1 3.03Å; Q70-E74 WeakPolarHBondContact O-CB 3.4Å; Q70-E74 VanDerWaalsContact O-CG 3.25Å; Q70-E74 WeakPolarHBondContact O-CG 3.48Å; Q70-E74 PolarHBondContact O-N 3.05Å; K71-E74 PolarHBondContact O-N 3.49Å; E74-A78 WeakPolarHBondContact O-CB 3.47Å; E74-A78 PolarHBondContact O-N 3.49Å
75	T	59.7	Low	52.8	Low	93 Å²	93	84.8 Å²	84.8	57%	0.571	45%	0.452	S	S	*	.	H	α-helix	trans	-68	-39.1	177.9	-54.3	0	0	0	0	111.7	K71 S72 I73 K79	K71-T75 WeakPolarHBondContact O-CB 3.48Å; K71-T75 PolarHBondContact O-N 3.47Å; K71-T75 PolarHBondContact O-OG1 3.47Å; S72-T75 PolarHBondContact O-N 3.03Å; I73-T75 VanDerWaalsContact C-N 3.31Å; I73-T75 PolarHBondContact O-N 3.05Å; T75-K79 VanDerWaalsContact O-CB 3.28Å; T75-K79 WeakPolarHBondContact O-CB 3.46Å; T75-K79 PolarHBondContact O-N 3.34Å
76	L	56.7	Low	53.1	Low	62 Å²	62	87.1 Å²	87.1	33%	0.325	46%	0.456	S	S	.	.	H	α-helix	trans	-71.5	-39.5	-179.6	-151.3	149.9	0	0	0	111.3	A48 S72 I73 H80	A48-L76 HydrophobicContact CB-CD1 4.22Å; S72-L76 WeakPolarHBondContact O-CB 3.46Å; S72-L76 PolarHBondContact O-N 2.8Å; I73-L76 PolarHBondContact O-N 3.38Å; L76-H80 PolarHBondContact O-CD2 3.37Å; L76-H80 PolarHBondContact O-N 3.26Å
77	L	53.6	Low	53.3	Low	16 Å²	16	87.7 Å²	87.7	8%	0.084	45%	0.452	C	S	.	.	H	α-helix	trans	-64.2	-51.5	170.4	-69.6	170.6	0	0	0	110.4	L41 T45 I73 K79 H80 T81 A92	L41-L77 HydrophobicContact CB-CD2 4.39Å; T45-L77 HydrophobicContact CG2-CD2 3.86Å; T45-L77 HydrophobicContact CG2-CG 4.07Å; I73-L77 HydrophobicContact CG2-CD1 3.79Å; I73-L77 HydrophobicContact CG2-CG 4.33Å; I73-L77 WeakPolarHBondContact O-CB 3.42Å; I73-L77 VanDerWaalsContact O-CG 3.29Å; I73-L77 WeakPolarHBondContact O-CG 3.26Å; I73-L77 PolarHBondContact O-N 3.41Å; L77-K79 PolarHBondContact O-N 2.98Å; L77-H80 PolarHBondContact O-N 3.4Å; L77-T81 PolarHBondContact O-N 3.29Å; L77-T81 PolarHBondContact O-OG1 3.19Å; L77-A92 HydrophobicContact CD1-CB 4.07Å
78	A	56.9	Low	53.3	Low	72 Å²	72	86.3 Å²	86.3	60%	0.595	44%	0.439	S	S	*	.	H	α-helix	trans	-59.5	-31.4	-180	0	0	0	0	0	113.8	E74 H80	E74-A78 WeakPolarHBondContact O-CB 3.47Å; E74-A78 PolarHBondContact O-N 3.49Å; A78-H80 VanDerWaalsContact C-N 3.33Å
79	K	56.7	Low	53.1	Low	168 Å²	168	89.2 Å²	89.2	73%	0.73	45%	0.445	S	S	*	.	H	α-helix	trans	-73.8	-23.2	177.8	-166.6	174.6	-176.4	179.8	0	113.3	T75 L77	T75-K79 VanDerWaalsContact O-CB 3.28Å; T75-K79 WeakPolarHBondContact O-CB 3.46Å; T75-K79 PolarHBondContact O-N 3.34Å; L77-K79 PolarHBondContact O-N 2.98Å
80	H	51.7	Low	53.3	Low	93 Å²	93	91.1 Å²	91.1	43%	0.431	46%	0.455	S	S	.	.	H	α-helix	trans	-120.4	-7.7	-171.9	-69.2	-68	0	0	0	114.5	R37 L41 L76 L77 A78	R37-H80 PolarHBondContact NH2-O 3.31Å; L41-H80 HydrophobicContact CD2-CB 3.84Å; L76-H80 PolarHBondContact O-CD2 3.37Å; L76-H80 PolarHBondContact O-N 3.26Å; L77-H80 PolarHBondContact O-N 3.4Å; A78-H80 VanDerWaalsContact C-N 3.33Å
81	T	53.1	Low	53.4	Low	18 Å²	18	93 Å²	93	11%	0.11	46%	0.458	C	S	.	.			trans	-124.2	118.9	169.8	55.3	0	0	0	0	110.6	L41 L77 D83	L41-T81 HydrophobicContact CD1-CG2 3.1Å; L41-T81 HydrophobicContact CD2-CG2 4.12Å; L41-T81 HydrophobicContact CG-CG2 4.22Å; L77-T81 PolarHBondContact O-N 3.29Å; L77-T81 PolarHBondContact O-OG1 3.19Å; T81-D83 PolarHBondContact O-N 3.42Å
82	A	51.9	Low	52.9	Low	95 Å²	95	87.2 Å²	87.2	79%	0.785	43%	0.434	S	S	*	.			trans	-77.7	3.7	162.6	0	0	0	0	0	112.2
83	D	49.9	Very low	52.6	Low	83 Å²	83	87.9 Å²	87.9	44%	0.444	43%	0.432	S	S	.	.			trans	-84.5	113.1	-177.4	-71.5	-59.8	0	0	0	111.5	T81 D85 I88	T81-D83 PolarHBondContact O-N 3.42Å; D83-D85 PolarHBondContact O-N 2.72Å; D83-I88 HydrophobicContact CB-CD1 4.12Å
84	Y	51.5	Low	52.5	Low	209 Å²	209	91.3 Å²	91.3	82%	0.82	45%	0.45	S	S	*	.			trans	-75.6	4.7	178.6	-83.4	-93.1	0	0	0	114.3	H86 R89	Y84-H86 PolarHBondContact O-N 2.9Å; Y84-H86 VanDerWaalsContact O-N 3.11Å; Y84-R89 PolarHBondContact O-NH2 3.35Å; Y84-R89 VanDerWaalsContact O-NH2 3.08Å
85	D	53.5	Low	52.3	Low	66 Å²	66	88.6 Å²	88.6	35%	0.353	44%	0.441	S	S	.	.			trans	-69.5	114.5	-172.4	-163.8	-6.3	0	0	0	112	D83 R87 I88	D83-D85 PolarHBondContact O-N 2.72Å; D85-R87 PolarHBondContact O-N 3.29Å; D85-R87 VanDerWaalsContact O-N 3.16Å; D85-R87 WeakPolarHBondContact OD1-CG 3.42Å; D85-R87 PolarHBondContact OD1-N 3.46Å; D85-I88 HydrophobicContact CB-CD1 4.26Å; D85-I88 HydrophobicContact CB-CG1 4.36Å; D85-I88 WeakPolarHBondContact O-CB 3.35Å; D85-I88 PolarHBondContact O-N 3.26Å; D85-I88 VanDerWaalsContact O-N 3.14Å
86	H	55	Low	51.7	Low	104 Å²	104	88.5 Å²	88.5	48%	0.481	44%	0.436	S	S	.	.	H	α-helix	trans	-53.2	-27.7	172.5	69.3	-54.6	0	0	0	113.9	Y84 I88 R89 I90	Y84-H86 PolarHBondContact O-N 2.9Å; Y84-H86 VanDerWaalsContact O-N 3.11Å; H86-I88 VanDerWaalsContact C-N 3.27Å; H86-I88 PolarHBondContact O-N 2.94Å; H86-R89 PolarHBondContact O-N 2.94Å; H86-I90 WeakPolarHBondContact O-CG1 3.25Å; H86-I90 PolarHBondContact O-N 3.15Å
87	R	51.6	Low	51.2	Low	173 Å²	173	90.5 Å²	90.5	65%	0.653	46%	0.456	S	S	*	.	H	α-helix	trans	-62.8	-34.3	178.3	-64.5	174.7	-179.6	-179.1	1	112.5	D85 R91	D85-R87 PolarHBondContact O-N 3.29Å; D85-R87 VanDerWaalsContact O-N 3.16Å; D85-R87 WeakPolarHBondContact OD1-CG 3.42Å; D85-R87 PolarHBondContact OD1-N 3.46Å; R87-R91 PolarHBondContact O-N 3.21Å; R87-R91 VanDerWaalsContact O-N 3.09Å
88	I	49.5	Very low	51	Low	33 Å²	33	92 Å²	92	17%	0.169	47%	0.47	C	S	.	.	H	α-helix	trans	-68.1	-39.9	177.3	-64.8	175.7	0	0	0	110.4	L38 D83 D85 H86 A92	L38-I88 HydrophobicContact CD1-CB 4.1Å; L38-I88 HydrophobicContact CD1-CG1 3.94Å; L38-I88 HydrophobicContact CD1-CG2 3.5Å; L38-I88 VanDerWaalsContact CD1-CG2 3.5Å; D83-I88 HydrophobicContact CB-CD1 4.12Å; D85-I88 HydrophobicContact CB-CD1 4.26Å; D85-I88 HydrophobicContact CB-CG1 4.36Å; D85-I88 WeakPolarHBondContact O-CB 3.35Å; D85-I88 PolarHBondContact O-N 3.26Å; D85-I88 VanDerWaalsContact O-N 3.14Å; H86-I88 VanDerWaalsContact C-N 3.27Å; H86-I88 PolarHBondContact O-N 2.94Å; I88-A92 VanDerWaalsContact O-CB 3.26Å; I88-A92 WeakPolarHBondContact O-CB 3.19Å; I88-A92 PolarHBondContact O-N 3.43Å
89	R	48.5	Very low	50.6	Low	129 Å²	129	100.9 Å²	100.9	49%	0.487	49%	0.488	S	S	.	.	H	α-helix	trans	-67.4	-42.5	177.4	-72.4	-178.8	-80.7	-150.8	-6.3	112.5	Y84 H86 A92 L93	Y84-R89 PolarHBondContact O-NH2 3.35Å; Y84-R89 VanDerWaalsContact O-NH2 3.08Å; H86-R89 PolarHBondContact O-N 2.94Å; R89-A92 PolarHBondContact O-N 2.91Å; R89-L93 WeakPolarHBondContact O-CD1 3.45Å; R89-L93 PolarHBondContact O-N 3.38Å
90	I	51.9	Low	50.6	Low	92 Å²	92	95.5 Å²	95.5	47%	0.472	47%	0.467	S	S	.	.	H	α-helix	trans	-64.8	-47.9	178.3	-65.7	167.8	0	0	0	110.3	H86 A92 L93 D94	H86-I90 WeakPolarHBondContact O-CG1 3.25Å; H86-I90 PolarHBondContact O-N 3.15Å; I90-A92 VanDerWaalsContact C-N 3.31Å; I90-A92 PolarHBondContact O-N 2.94Å; I90-L93 PolarHBondContact O-N 2.99Å; I90-L93 VanDerWaalsContact O-N 3.1Å; I90-D94 PolarHBondContact O-N 3.36Å
91	R	51.2	Low	51	Low	129 Å²	129	96.9 Å²	96.9	49%	0.487	47%	0.469	S	S	.	.	H	α-helix	trans	-64.5	-33.2	176.1	-79.4	-159.9	173.4	-178	-3	113.3	R87 L93 D94 C95	R87-R91 PolarHBondContact O-N 3.21Å; R87-R91 VanDerWaalsContact O-N 3.09Å; R91-L93 VanDerWaalsContact C-N 3.34Å; R91-D94 PolarHBondContact O-N 3.04Å; R91-C95 PolarHBondContact O-N 3.26Å; R91-C95 PolarHBondContact O-SG 2.87Å
92	A	47.2	Very low	51.5	Low	7 Å²	7	96.9 Å²	96.9	6%	0.058	47%	0.468	C	S	.	.	H	α-helix	trans	-67.6	-33.5	173.4	0	0	0	0	0	112.7	L42 L77 I88 R89 I90	L42-A92 HydrophobicContact CD2-CB 3.81Å; L77-A92 HydrophobicContact CD1-CB 4.07Å; I88-A92 VanDerWaalsContact O-CB 3.26Å; I88-A92 WeakPolarHBondContact O-CB 3.19Å; I88-A92 PolarHBondContact O-N 3.43Å; R89-A92 PolarHBondContact O-N 2.91Å; I90-A92 VanDerWaalsContact C-N 3.31Å; I90-A92 PolarHBondContact O-N 2.94Å
93	L	47.8	Very low	52.2	Low	88 Å²	88	94.9 Å²	94.9	46%	0.461	45%	0.446	S	S	.	.	H	α-helix	trans	-73	-39.7	172.7	-103.3	94.6	0	0	0	112.7	R89 I90 R91 C95 L96	R89-L93 WeakPolarHBondContact O-CD1 3.45Å; R89-L93 PolarHBondContact O-N 3.38Å; I90-L93 PolarHBondContact O-N 2.99Å; I90-L93 VanDerWaalsContact O-N 3.1Å; R91-L93 VanDerWaalsContact C-N 3.34Å; L93-C95 PolarHBondContact O-N 3.12Å; L93-L96 HydrophobicContact CG-CD1 4.33Å; L93-L96 VanDerWaalsContact O-CB 3.28Å; L93-L96 WeakPolarHBondContact O-CB 2.97Å; L93-L96 PolarHBondContact O-N 3.09Å
94	D	52	Low	53.2	Low	100 Å²	100	91.2 Å²	91.2	54%	0.535	43%	0.426	S	S	.	.	H	α-helix	trans	-62.5	-33.6	178.3	-71.2	-24.8	0	0	0	111.6	I90 R91 L96 S97	I90-D94 PolarHBondContact O-N 3.36Å; R91-D94 PolarHBondContact O-N 3.04Å; D94-L96 PolarHBondContact O-N 2.9Å; D94-S97 PolarHBondContact O-N 3.13Å; D94-S97 VanDerWaalsContact O-N 3.15Å; D94-S97 PolarHBondContact O-OG 3.25Å
95	C	48.9	Very low	53.8	Low	31 Å²	31	81.6 Å²	81.6	21%	0.209	39%	0.389	C	S	.	.	H	α-helix	trans	-66.8	-17	174.3	-64.6	0	0	0	0	114	R91 L93 S97	R91-C95 PolarHBondContact O-N 3.26Å; R91-C95 PolarHBondContact O-SG 2.87Å; L93-C95 PolarHBondContact O-N 3.12Å; C95-S97 VanDerWaalsContact C-N 3.35Å
96	L	46.2	Very low	54.5	Low	90 Å²	90	78.5 Å²	78.5	47%	0.471	37%	0.372	S	S	.	.	H	α-helix	trans	-77.9	-20.4	174.3	-66.6	165.9	0	0	0	112.6	I49 I73 L93 D94	I49-L96 HydrophobicContact CD1-CD2 3.38Å; I73-L96 HydrophobicContact CD1-CD1 4.1Å; I73-L96 HydrophobicContact CD1-CD2 3.87Å; L93-L96 HydrophobicContact CG-CD1 4.33Å; L93-L96 VanDerWaalsContact O-CB 3.28Å; L93-L96 WeakPolarHBondContact O-CB 2.97Å; L93-L96 PolarHBondContact O-N 3.09Å; D94-L96 PolarHBondContact O-N 2.9Å
97	S	46.2	Very low	55.5	Low	105 Å²	105	73.6 Å²	73.6	73%	0.734	35%	0.349	S	S	*	.	H	α-helix	trans	-80	-23	-172.8	71.4	0	0	0	0	114.1	D94 C95	D94-S97 PolarHBondContact O-N 3.13Å; D94-S97 VanDerWaalsContact O-N 3.15Å; D94-S97 PolarHBondContact O-OG 3.25Å; C95-S97 VanDerWaalsContact C-N 3.35Å
98	A	49.8	Very low	56.6	Low	47 Å²	47	65.7 Å²	65.7	39%	0.388	32%	0.321	S	S	.	.	S	Bend	trans	-105.1	120.6	-179.7	0	0	0	0	0	111.2	L100	A98-L100 HydrophobicContact CB-CD1 4.14Å; A98-L100 HydrophobicContact CB-CG 3.94Å; A98-L100 PolarHBondContact O-N 3.3Å
99	R	49.2	Very low	57.6	Low	259 Å²	259	65 Å²	65	98%	0.977	32%	0.316	S	S	*	.			trans	-69.2	59.4	169.2	-78.2	-176.4	168.3	139.1	-2.9	111.3
100	L	56.2	Low	59	Low	54 Å²	54	60 Å²	60	28%	0.283	30%	0.299	S	S	.	.			trans	-78.5	139.1	173.1	-68.2	172.6	0	0	0	109.6	H46 A98 L102 H105 F139	H46-L100 PolarHBondContact CE1-O 3.3Å; H46-L100 PolarHBondContact NE2-O 2.91Å; A98-L100 HydrophobicContact CB-CD1 4.14Å; A98-L100 HydrophobicContact CB-CG 3.94Å; A98-L100 PolarHBondContact O-N 3.3Å; L100-L102 PolarHBondContact O-N 3.39Å; L100-H105 HydrophobicContact CB-CB 4.45Å; L100-F139 HydrophobicContact CD2-CE2 4.26Å; L100-F139 HydrophobicContact CD2-CZ 3.7Å
101	R	60.7	Low	60.5	Low	123 Å²	123	55.6 Å²	55.6	46%	0.464	28%	0.276	S	S	.	.			trans	-61.5	137.8	170.3	-58.3	-175.2	-61.7	153.1	13.7	107.7	V103 D104 H105 G134 S136	R101-V103 PolarHBondContact O-N 2.71Å; R101-V103 VanDerWaalsContact O-N 3.13Å; R101-D104 WeakPolarHBondContact CB-OD2 3.48Å; R101-D104 IonicContact CZ-OD1 3.15Å; R101-D104 IonicContact CZ-OD2 3.35Å; R101-D104 VanDerWaalsContact CZ-OD2 3.28Å; R101-D104 IonicContact NE-OD2 2.68Å; R101-D104 PolarHBondContact NE-OD2 2.94Å; R101-D104 VanDerWaalsContact NH2-CG 3.33Å; R101-D104 IonicContact NH2-OD1 2.97Å; R101-D104 PolarHBondContact NH2-OD1 3.38Å; R101-D104 IonicContact NH2-OD2 2.79Å; R101-D104 PolarHBondContact NH2-OD2 2.9Å; R101-D104 PolarHBondContact O-N 3.5Å; R101-H105 PolarHBondContact O-N 3.13Å; R101-G134 PolarHBondContact NH1-O 3.02Å; R101-G134 PolarHBondContact NH2-O 3.25Å; R101-S136 VanDerWaalsContact NH2-CB 3.28Å
102	L	63.3	Low	61.8	Low	17 Å²	17	52.4 Å²	52.4	9%	0.089	27%	0.265	C	S	.	.	H	α-helix	trans	-53.1	-37.9	-179.7	170.8	68.7	0	0	0	112.7	Y20 H46 L47 Q50 L100 H105 A106	Y20-L102 HydrophobicContact CE1-CD1 4.11Å; Y20-L102 HydrophobicContact CE1-CG 4.41Å; H46-L102 HydrophobicContact CB-CD1 3.85Å; H46-L102 WeakPolarHBondContact CE1-CA 3.44Å; H46-L102 WeakPolarHBondContact ND1-CB 3.46Å; H46-L102 WeakPolarHBondContact ND1-CD1 3.3Å; L47-L102 HydrophobicContact CD1-CD1 3.72Å; L47-L102 HydrophobicContact CD1-CD2 3.47Å; L47-L102 VanDerWaalsContact CD1-CD2 3.47Å; L47-L102 HydrophobicContact CD1-CG 4.16Å; L47-L102 HydrophobicContact CG-CD2 4.28Å; Q50-L102 HydrophobicContact CG-CB 4.16Å; Q50-L102 HydrophobicContact CG-CD2 4.49Å; Q50-L102 VanDerWaalsContact NE2-CB 3.26Å; L100-L102 PolarHBondContact O-N 3.39Å; L102-H105 PolarHBondContact O-N 2.79Å; L102-A106 WeakPolarHBondContact O-CB 3.39Å; L102-A106 PolarHBondContact O-N 3.36Å
103	V	66.4	Low	63.2	Low	53 Å²	53	53 Å²	53	32%	0.321	27%	0.27	S	S	.	.	H	α-helix	trans	-61.2	-45	177.2	-179.5	0	0	0	0	111.1	R101 F107 F132 V135	R101-V103 PolarHBondContact O-N 2.71Å; R101-V103 VanDerWaalsContact O-N 3.13Å; V103-F107 WeakPolarHBondContact O-CB 3.43Å; V103-F107 PolarHBondContact O-N 2.83Å; V103-F132 HydrophobicContact CG1-CD1 4.09Å; V103-V135 HydrophobicContact CG1-CG2 4.07Å
104	D	69.7	Low	64.8	Low	6 Å²	6	48.9 Å²	48.9	3%	0.032	25%	0.248	C	C	.	.	H	α-helix	trans	-68.7	-39.3	178.8	-62	-41.3	0	0	0	111.3	R101 S108 S136 F139	R101-D104 WeakPolarHBondContact CB-OD2 3.48Å; R101-D104 IonicContact CZ-OD1 3.15Å; R101-D104 IonicContact CZ-OD2 3.35Å; R101-D104 VanDerWaalsContact CZ-OD2 3.28Å; R101-D104 IonicContact NE-OD2 2.68Å; R101-D104 PolarHBondContact NE-OD2 2.94Å; R101-D104 VanDerWaalsContact NH2-CG 3.33Å; R101-D104 IonicContact NH2-OD1 2.97Å; R101-D104 PolarHBondContact NH2-OD1 3.38Å; R101-D104 IonicContact NH2-OD2 2.79Å; R101-D104 PolarHBondContact NH2-OD2 2.9Å; R101-D104 PolarHBondContact O-N 3.5Å; D104-S108 WeakPolarHBondContact O-CB 3.44Å; D104-S108 PolarHBondContact O-N 2.89Å; D104-S136 VanDerWaalsContact CG-OG 3.31Å; D104-S136 PolarHBondContact OD1-N 3.45Å; D104-S136 PolarHBondContact OD1-OG 2.95Å; D104-S136 PolarHBondContact OD2-OG 3.26Å; D104-F139 HydrophobicContact CB-CD1 3.91Å; D104-F139 HydrophobicContact CB-CD2 4.37Å; D104-F139 HydrophobicContact CB-CE1 3.85Å; D104-F139 HydrophobicContact CB-CE2 4.25Å; D104-F139 HydrophobicContact CB-CG 4.2Å; D104-F139 HydrophobicContact CB-CZ 4.04Å
105	H	65.5	Low	66	Low	8 Å²	8	48.9 Å²	48.9	4%	0.037	25%	0.245	C	C	.	.	H	α-helix	trans	-65.6	-47.7	175.8	179.2	-94.4	0	0	0	111.8	L100 R101 L102 F107 S108 K109	L100-H105 HydrophobicContact CB-CB 4.45Å; R101-H105 PolarHBondContact O-N 3.13Å; L102-H105 PolarHBondContact O-N 2.79Å; H105-F107 VanDerWaalsContact C-N 3.33Å; H105-F107 PolarHBondContact O-N 3.45Å; H105-S108 PolarHBondContact O-N 2.96Å; H105-K109 VanDerWaalsContact NE2-CE 3.3Å; H105-K109 WeakPolarHBondContact NE2-CE 3.09Å; H105-K109 WeakPolarHBondContact O-CG 3.42Å; H105-K109 PolarHBondContact O-N 2.92Å
106	A	67.3	Low	67.4	Low	1 Å²	1	48.1 Å²	48.1	1%	0.008	24%	0.239	C	C	.	.	H	α-helix	trans	-55.5	-49	175.2	0	0	0	0	0	111.7	Y20 L102 K109 I110 F132	Y20-A106 HydrophobicContact CE1-CB 4.16Å; Y20-A106 HydrophobicContact CE2-CB 3.64Å; Y20-A106 WeakPolarHBondContact OH-CA 3.36Å; Y20-A106 WeakPolarHBondContact OH-CB 3.2Å; L102-A106 WeakPolarHBondContact O-CB 3.39Å; L102-A106 PolarHBondContact O-N 3.36Å; A106-K109 PolarHBondContact O-N 2.76Å; A106-I110 WeakPolarHBondContact O-CG1 3.48Å; A106-I110 PolarHBondContact O-N 3.38Å; A106-I110 VanDerWaalsContact O-N 3.08Å; A106-F132 HydrophobicContact CB-CE1 3.71Å; A106-F132 HydrophobicContact CB-CZ 4.08Å
107	F	77.3	Confident	69.1	Low	0 Å²	0	51.6 Å²	51.6	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-58.2	-50.4	177.2	-175.4	-96.8	0	0	0	110.9	V103 H105 K109 I110 C111 L129 F132 V135 L140 T143 F206 L228	V103-F107 WeakPolarHBondContact O-CB 3.43Å; V103-F107 PolarHBondContact O-N 2.83Å; H105-F107 VanDerWaalsContact C-N 3.33Å; H105-F107 PolarHBondContact O-N 3.45Å; F107-K109 VanDerWaalsContact C-N 3.3Å; F107-K109 PolarHBondContact O-N 3.01Å; F107-I110 PolarHBondContact O-N 3.43Å; F107-I110 VanDerWaalsContact O-N 3.08Å; F107-C111 VanDerWaalsContact CE1-SG 3.57Å; F107-C111 PolarHBondContact O-N 3.34Å; F107-C111 PolarHBondContact O-SG 3.02Å; F107-L129 HydrophobicContact CD2-CD2 3.67Å; F107-L129 HydrophobicContact CE2-CB 4.31Å; F107-L129 HydrophobicContact CE2-CD2 3.58Å; F107-L129 HydrophobicContact CG-CD2 4.29Å; F107-L129 HydrophobicContact CZ-CD2 4.11Å; F107-F132 HydrophobicContact CB-CD1 4.34Å; F107-F132 HydrophobicContact CD2-CB 4.04Å; F107-F132 HydrophobicContact CD2-CD1 4.42Å; F107-F132 HydrophobicContact CD2-CD2 4.09Å; F107-F132 AromaticContact CD2-CG 3.9Å; F107-F132 HydrophobicContact CD2-CG 3.9Å; F107-V135 HydrophobicContact CB-CG1 4.32Å; F107-V135 HydrophobicContact CB-CG2 4.23Å; F107-V135 HydrophobicContact CD1-CG1 3.76Å; F107-V135 HydrophobicContact CD2-CG1 4.2Å; F107-V135 HydrophobicContact CD2-CG2 3.63Å; F107-V135 HydrophobicContact CE1-CG1 4.05Å; F107-V135 HydrophobicContact CE2-CG1 4.47Å; F107-V135 HydrophobicContact CE2-CG2 4.11Å; F107-V135 HydrophobicContact CG-CG1 3.84Å; F107-V135 HydrophobicContact CG-CG2 3.93Å; F107-V135 HydrophobicContact CZ-CG1 4.42Å; F107-L140 HydrophobicContact CE1-CD2 4.11Å; F107-L140 HydrophobicContact CE2-CD2 4.07Å; F107-L140 HydrophobicContact CZ-CD2 3.58Å; F107-T143 HydrophobicContact CE1-CG2 3.61Å; F107-T143 HydrophobicContact CZ-CG2 4.14Å; F107-F206 HydrophobicContact CZ-CE2 4.08Å; F107-F206 HydrophobicContact CZ-CZ 4.39Å; F107-L228 HydrophobicContact CE2-CD1 4.17Å; F107-L228 HydrophobicContact CZ-CD1 4.45Å
108	S	74.2	Confident	70.9	Confident	7 Å²	7	48.7 Å²	48.7	5%	0.049	24%	0.236	C	C	.	.	H	α-helix	trans	-56.3	-39.9	176.6	176.2	0	0	0	0	113.2	D104 H105 C111 Y112 S202	D104-S108 WeakPolarHBondContact O-CB 3.44Å; D104-S108 PolarHBondContact O-N 2.89Å; H105-S108 PolarHBondContact O-N 2.96Å; S108-C111 WeakPolarHBondContact O-CB 3.41Å; S108-C111 PolarHBondContact O-N 3.08Å; S108-Y112 PolarHBondContact O-N 3.08Å; S108-S202 PolarHBondContact O-OG 2.89Å
109	K	70.4	Confident	72.7	Confident	19 Å²	19	48.3 Å²	48.3	8%	0.083	23%	0.229	C	C	.	.	H	α-helix	trans	-71.5	-31	177.8	-64.7	-48.4	175.9	-165.8	0	113.3	C39 H105 A106 F107 Y112 A113 D199	C39-K109 HydrophobicContact CB-CB 3.97Å; C39-K109 HydrophobicContact CB-CG 4.49Å; H105-K109 VanDerWaalsContact NE2-CE 3.3Å; H105-K109 WeakPolarHBondContact NE2-CE 3.09Å; H105-K109 WeakPolarHBondContact O-CG 3.42Å; H105-K109 PolarHBondContact O-N 2.92Å; A106-K109 PolarHBondContact O-N 2.76Å; F107-K109 VanDerWaalsContact C-N 3.3Å; F107-K109 PolarHBondContact O-N 3.01Å; K109-Y112 WeakPolarHBondContact O-CB 3.41Å; K109-Y112 PolarHBondContact O-N 2.97Å; K109-A113 PolarHBondContact O-N 3.23Å; K109-D199 IonicContact NZ-OD2 3.62Å; K109-D199 PolarHBondContact NZ-OD2 2.76Å
110	I	78.6	Confident	74.5	Confident	23 Å²	23	39.9 Å²	39.9	12%	0.118	21%	0.209	C	C	.	.	H	α-helix	trans	-76.6	-33.2	173.9	-64.5	168.3	0	0	0	110.6	A106 F107 Y112 A113 M114 A125 L128 L129 F132	A106-I110 WeakPolarHBondContact O-CG1 3.48Å; A106-I110 PolarHBondContact O-N 3.38Å; A106-I110 VanDerWaalsContact O-N 3.08Å; F107-I110 PolarHBondContact O-N 3.43Å; F107-I110 VanDerWaalsContact O-N 3.08Å; I110-Y112 PolarHBondContact O-N 3.32Å; I110-A113 WeakPolarHBondContact O-CA 3.36Å; I110-A113 WeakPolarHBondContact O-CB 3.45Å; I110-A113 PolarHBondContact O-N 3.08Å; I110-M114 PolarHBondContact O-N 3Å; I110-A125 HydrophobicContact CG2-CB 4.07Å; I110-A125 WeakPolarHBondContact CG2-O 3.28Å; I110-L128 HydrophobicContact CD1-CB 4.35Å; I110-L128 HydrophobicContact CG2-CB 4.22Å; I110-L129 HydrophobicContact CB-CD2 3.84Å; I110-L129 HydrophobicContact CB-CG 4.48Å; I110-L129 HydrophobicContact CG2-CD2 3.6Å; I110-L129 HydrophobicContact CG2-CG 3.68Å; I110-F132 HydrophobicContact CD1-CE2 3.27Å; I110-F132 HydrophobicContact CD1-CZ 3.33Å
111	C	83.2	Confident	75.7	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-55.5	-38.5	168.9	-68	0	0	0	0	111.6	F107 S108 A113 M114 A205	F107-C111 VanDerWaalsContact CE1-SG 3.57Å; F107-C111 PolarHBondContact O-N 3.34Å; F107-C111 PolarHBondContact O-SG 3.02Å; S108-C111 WeakPolarHBondContact O-CB 3.41Å; S108-C111 PolarHBondContact O-N 3.08Å; C111-A113 VanDerWaalsContact C-N 3.33Å; C111-A113 PolarHBondContact O-N 2.87Å; C111-M114 VanDerWaalsContact O-CB 3.25Å; C111-M114 WeakPolarHBondContact O-CB 3.17Å; C111-M114 PolarHBondContact O-N 3.28Å; C111-A205 HydrophobicContact CB-CB 3.6Å
112	Y	76.8	Confident	76.9	Confident	62 Å²	62	35.5 Å²	35.5	24%	0.243	19%	0.194	C	C	.	.	H	α-helix	trans	-65	-35.9	173.8	-171.1	-97.2	0	0	0	112.8	C35 S108 K109 I110 M114 Q115 E201 S202	C35-Y112 HydrophobicContact CB-CD1 4.15Å; C35-Y112 HydrophobicContact CB-CE1 3.52Å; S108-Y112 PolarHBondContact O-N 3.08Å; K109-Y112 WeakPolarHBondContact O-CB 3.41Å; K109-Y112 PolarHBondContact O-N 2.97Å; I110-Y112 PolarHBondContact O-N 3.32Å; Y112-M114 PolarHBondContact O-N 3.46Å; Y112-Q115 PolarHBondContact O-N 2.79Å; Y112-E201 HydrophobicContact CD2-CB 3.87Å; Y112-E201 HydrophobicContact CE2-CB 3.88Å; Y112-E201 HydrophobicContact CE2-CG 4.36Å; Y112-E201 WeakPolarHBondContact CE2-OE2 3.35Å; Y112-S202 PolarHBondContact N-OG 3.25Å
113	A	76.6	Confident	78.1	Confident	19 Å²	19	35.5 Å²	35.5	16%	0.157	20%	0.195	C	C	.	.	H	α-helix	trans	-67.7	-14.7	176.9	0	0	0	0	0	113.5	K109 I110 C111 Q115 D116 A125	K109-A113 PolarHBondContact O-N 3.23Å; I110-A113 WeakPolarHBondContact O-CA 3.36Å; I110-A113 WeakPolarHBondContact O-CB 3.45Å; I110-A113 PolarHBondContact O-N 3.08Å; C111-A113 VanDerWaalsContact C-N 3.33Å; C111-A113 PolarHBondContact O-N 2.87Å; A113-Q115 PolarHBondContact O-N 3.28Å; A113-D116 WeakPolarHBondContact O-CB 3.37Å; A113-D116 PolarHBondContact O-N 3.26Å; A113-A125 HydrophobicContact CB-CB 3.71Å
114	M	81.4	Confident	79	Confident	3 Å²	3	37.5 Å²	37.5	2%	0.015	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-17	169	-66.5	-65.8	-73.6	0	0	112.9	I110 C111 Y112 R122 A125 A126 L129 A205 V217 S221	I110-M114 PolarHBondContact O-N 3Å; C111-M114 VanDerWaalsContact O-CB 3.25Å; C111-M114 WeakPolarHBondContact O-CB 3.17Å; C111-M114 PolarHBondContact O-N 3.28Å; Y112-M114 PolarHBondContact O-N 3.46Å; M114-R122 WeakPolarHBondContact O-CD 3.21Å; M114-A125 HydrophobicContact CG-CB 4.41Å; M114-A125 HydrophobicContact SD-CB 3.91Å; M114-A126 HydrophobicContact CE-CB 3.78Å; M114-A126 WeakPolarHBondContact SD-CA 3.32Å; M114-A126 HydrophobicContact SD-CB 3.67Å; M114-A126 PolarHBondContact SD-N 2.95Å; M114-L129 HydrophobicContact CG-CD1 3.72Å; M114-L129 HydrophobicContact SD-CD1 3.99Å; M114-A205 HydrophobicContact CB-CB 4.49Å; M114-A205 HydrophobicContact CG-CB 4.43Å; M114-V217 HydrophobicContact CE-CG1 4.43Å; M114-S221 WeakPolarHBondContact CE-OG 3.37Å
115	Q	77.6	Confident	79.6	Confident	99 Å²	99	37.4 Å²	37.4	46%	0.463	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.9	14.1	178.2	-62.8	174.6	14.3	0	0	112.2	Y112 A113 E201	Y112-Q115 PolarHBondContact O-N 2.79Å; A113-Q115 PolarHBondContact O-N 3.28Å; Q115-E201 PolarHBondContact NE2-O 3.02Å
116	D	79.2	Confident	80.8	Confident	16 Å²	16	37 Å²	37	9%	0.086	20%	0.199	C	C	.	.			trans	-65.1	148.1	178.5	-162.5	-82.5	0	0	0	111.2	C34 A113 S118 N121 R122	C34-D116 PolarHBondContact SG-OD2 3.33Å; A113-D116 WeakPolarHBondContact O-CB 3.37Å; A113-D116 PolarHBondContact O-N 3.26Å; D116-S118 PolarHBondContact O-N 3.32Å; D116-S118 WeakPolarHBondContact OD1-CB 3.43Å; D116-S118 PolarHBondContact OD1-N 3.34Å; D116-N121 HydrophobicContact CB-CB 3.9Å; D116-N121 PolarHBondContact OD1-ND2 3.2Å; D116-R122 HydrophobicContact CB-CG 4.35Å; D116-R122 VanDerWaalsContact O-CD 3.28Å; D116-R122 WeakPolarHBondContact O-CD 3.47Å; D116-R122 VanDerWaalsContact O-CG 3.3Å; D116-R122 WeakPolarHBondContact O-CG 3.06Å; D116-R122 PolarHBondContact O-NH1 2.92Å
117	I	81.9	Confident	81.8	Confident	162 Å²	162	41.6 Å²	41.6	83%	0.831	22%	0.219	S	C	*	.	S	Bend	trans	-67.2	-29	178.5	-165.6	162.9	0	0	0	112
118	S	83.2	Confident	82.1	Confident	44 Å²	44	42.9 Å²	42.9	31%	0.308	23%	0.225	S	C	.	.	S	Bend	trans	-84.2	121.5	178.3	177.2	0	0	0	0	110.9	D116 S120 N121 R122	D116-S118 PolarHBondContact O-N 3.32Å; D116-S118 WeakPolarHBondContact OD1-CB 3.43Å; D116-S118 PolarHBondContact OD1-N 3.34Å; S118-S120 VanDerWaalsContact C-N 3.28Å; S118-S120 PolarHBondContact O-N 3.15Å; S118-N121 WeakPolarHBondContact CB-ND2 3.41Å; S118-N121 WeakPolarHBondContact O-CB 3.18Å; S118-N121 PolarHBondContact O-N 2.93Å; S118-R122 PolarHBondContact O-N 2.93Å; S118-R122 VanDerWaalsContact O-N 3.08Å
119	V	87.6	Confident	82.6	Confident	40 Å²	40	42.5 Å²	42.5	24%	0.242	22%	0.223	C	C	.	.	H	α-helix	trans	-56	-43.4	176.8	-170.5	0	0	0	0	111.5	N121 R122 V123 H214 V217	V119-N121 VanDerWaalsContact C-N 3.26Å; V119-N121 PolarHBondContact O-N 3.26Å; V119-R122 WeakPolarHBondContact O-CB 3.36Å; V119-R122 PolarHBondContact O-N 2.98Å; V119-R122 VanDerWaalsContact O-N 3.1Å; V119-V123 HydrophobicContact CG1-CG2 4.43Å; V119-V123 WeakPolarHBondContact O-CG2 3.13Å; V119-V123 PolarHBondContact O-N 2.82Å; V119-H214 HydrophobicContact CG1-CB 3.81Å; V119-H214 VanDerWaalsContact CG1-CD2 3.44Å; V119-H214 WeakPolarHBondContact CG1-CD2 3.44Å; V119-H214 WeakPolarHBondContact CG2-CD2 3.46Å; V119-H214 WeakPolarHBondContact CG2-NE2 2.98Å; V119-V217 HydrophobicContact CG1-CG2 3.91Å
120	S	87.3	Confident	83.3	Confident	81 Å²	81	41.7 Å²	41.7	57%	0.566	22%	0.22	S	C	*	.	H	α-helix	trans	-61.6	-36.1	179.2	-55.4	0	0	0	0	112.1	S118 E124	S118-S120 VanDerWaalsContact C-N 3.28Å; S118-S120 PolarHBondContact O-N 3.15Å; S120-E124 WeakPolarHBondContact O-CG 3.48Å; S120-E124 PolarHBondContact O-N 2.92Å
121	N	81.4	Confident	83.5	Confident	64 Å²	64	46 Å²	46	34%	0.342	24%	0.243	S	C	.	.	H	α-helix	trans	-68.3	-41.2	175.3	-68.1	-12.1	0	0	0	110.8	D116 S118 V119 E124 A125	D116-N121 HydrophobicContact CB-CB 3.9Å; D116-N121 PolarHBondContact OD1-ND2 3.2Å; S118-N121 WeakPolarHBondContact CB-ND2 3.41Å; S118-N121 WeakPolarHBondContact O-CB 3.18Å; S118-N121 PolarHBondContact O-N 2.93Å; V119-N121 VanDerWaalsContact C-N 3.26Å; V119-N121 PolarHBondContact O-N 3.26Å; N121-E124 PolarHBondContact O-N 2.95Å; N121-A125 WeakPolarHBondContact O-CB 2.85Å; N121-A125 PolarHBondContact O-N 3.31Å
122	R	87.2	Confident	83.2	Confident	21 Å²	21	47.1 Å²	47.1	8%	0.079	25%	0.248	C	C	.	.	H	α-helix	trans	-61.8	-43.8	175.5	-60.6	-157.5	-63.8	-106.6	18.1	112	M114 D116 S118 V119 A125 A126 D212 E213 H214 V217	M114-R122 WeakPolarHBondContact O-CD 3.21Å; D116-R122 HydrophobicContact CB-CG 4.35Å; D116-R122 VanDerWaalsContact O-CD 3.28Å; D116-R122 WeakPolarHBondContact O-CD 3.47Å; D116-R122 VanDerWaalsContact O-CG 3.3Å; D116-R122 WeakPolarHBondContact O-CG 3.06Å; D116-R122 PolarHBondContact O-NH1 2.92Å; S118-R122 PolarHBondContact O-N 2.93Å; S118-R122 VanDerWaalsContact O-N 3.08Å; V119-R122 WeakPolarHBondContact O-CB 3.36Å; V119-R122 PolarHBondContact O-N 2.98Å; V119-R122 VanDerWaalsContact O-N 3.1Å; R122-A125 PolarHBondContact O-N 2.76Å; R122-A126 WeakPolarHBondContact O-CB 3.32Å; R122-A126 PolarHBondContact O-N 3.31Å; R122-D212 IonicContact CZ-OD1 2.81Å; R122-D212 IonicContact CZ-OD2 3.1Å; R122-D212 IonicContact NE-OD1 3.29Å; R122-D212 IonicContact NE-OD2 2.98Å; R122-D212 PolarHBondContact NE-OD2 2.91Å; R122-D212 IonicContact NH2-OD1 2.79Å; R122-D212 PolarHBondContact NH2-OD1 2.69Å; R122-D212 IonicContact NH2-OD2 3.23Å; R122-D212 PolarHBondContact NH2-OD2 2.98Å; R122-E213 IonicContact NH2-OE1 2.76Å; R122-E213 PolarHBondContact NH2-OE1 3.26Å; R122-E213 VanDerWaalsContact NH2-OE1 3.12Å; R122-H214 PolarHBondContact NH2-CD2 2.91Å; R122-V217 HydrophobicContact CB-CG1 4.06Å; R122-V217 HydrophobicContact CB-CG2 3.8Å
123	V	88	Confident	83.3	Confident	18 Å²	18	49.4 Å²	49.4	11%	0.109	26%	0.256	C	S	.	.	H	α-helix	trans	-61.5	-47.6	176.8	173.1	0	0	0	0	111.3	V119 A126 K127 D216 V217 A220	V119-V123 HydrophobicContact CG1-CG2 4.43Å; V119-V123 WeakPolarHBondContact O-CG2 3.13Å; V119-V123 PolarHBondContact O-N 2.82Å; V123-A126 PolarHBondContact O-N 3.08Å; V123-K127 HydrophobicContact CG1-CD 4.44Å; V123-K127 WeakPolarHBondContact O-CG 3.47Å; V123-K127 PolarHBondContact O-N 3.4Å; V123-K127 VanDerWaalsContact O-N 3.09Å; V123-D216 HydrophobicContact CG2-CB 3.7Å; V123-V217 HydrophobicContact CG2-CB 4.43Å; V123-V217 HydrophobicContact CG2-CG2 3.59Å; V123-A220 HydrophobicContact CG1-CB 4.29Å
124	E	84.3	Confident	82.9	Confident	94 Å²	94	50.8 Å²	50.8	44%	0.439	27%	0.272	S	S	.	.	H	α-helix	trans	-67.9	-40	178.6	-69.8	-59.9	123.2	0	0	111.4	S120 N121 A126 K127 L128	S120-E124 WeakPolarHBondContact O-CG 3.48Å; S120-E124 PolarHBondContact O-N 2.92Å; N121-E124 PolarHBondContact O-N 2.95Å; E124-A126 VanDerWaalsContact C-N 3.33Å; E124-A126 PolarHBondContact O-N 3.06Å; E124-K127 PolarHBondContact O-N 2.79Å; E124-K127 IonicContact OE1-NZ 3.7Å; E124-K127 PolarHBondContact OE1-NZ 2.9Å; E124-L128 WeakPolarHBondContact O-CB 3.38Å; E124-L128 WeakPolarHBondContact O-CG 3.34Å; E124-L128 PolarHBondContact O-N 3.45Å
125	A	83.8	Confident	82.7	Confident	5 Å²	5	51.2 Å²	51.2	4%	0.041	28%	0.275	C	S	.	.	H	α-helix	trans	-57.6	-46.8	173.4	0	0	0	0	0	111.3	I110 A113 M114 N121 R122 L128 L129	I110-A125 HydrophobicContact CG2-CB 4.07Å; I110-A125 WeakPolarHBondContact CG2-O 3.28Å; A113-A125 HydrophobicContact CB-CB 3.71Å; M114-A125 HydrophobicContact CG-CB 4.41Å; M114-A125 HydrophobicContact SD-CB 3.91Å; N121-A125 WeakPolarHBondContact O-CB 2.85Å; N121-A125 PolarHBondContact O-N 3.31Å; R122-A125 PolarHBondContact O-N 2.76Å; A125-L128 PolarHBondContact O-N 3Å; A125-L129 WeakPolarHBondContact O-CG 3.3Å; A125-L129 PolarHBondContact O-N 3.13Å
126	A	89.8	Confident	82.5	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-56.5	-56.6	177.7	0	0	0	0	0	110.6	M114 R122 V123 E124 L128 L129 G130 A220 S224	M114-A126 HydrophobicContact CE-CB 3.78Å; M114-A126 WeakPolarHBondContact SD-CA 3.32Å; M114-A126 HydrophobicContact SD-CB 3.67Å; M114-A126 PolarHBondContact SD-N 2.95Å; R122-A126 WeakPolarHBondContact O-CB 3.32Å; R122-A126 PolarHBondContact O-N 3.31Å; V123-A126 PolarHBondContact O-N 3.08Å; E124-A126 VanDerWaalsContact C-N 3.33Å; E124-A126 PolarHBondContact O-N 3.06Å; A126-L128 PolarHBondContact O-N 2.81Å; A126-L129 WeakPolarHBondContact O-CB 3.45Å; A126-L129 PolarHBondContact O-N 3.28Å; A126-G130 PolarHBondContact O-N 3.23Å; A126-A220 HydrophobicContact CB-CB 3.66Å; A126-S224 VanDerWaalsContact C-OG 3.3Å; A126-S224 WeakPolarHBondContact O-CB 3.4Å; A126-S224 PolarHBondContact O-OG 2.88Å
127	K	88.6	Confident	82.5	Confident	96 Å²	96	50.8 Å²	50.8	42%	0.417	28%	0.278	S	S	.	.	H	α-helix	trans	-52.7	-43.9	178.3	-69.1	173.5	-170	164.7	0	112.4	V123 E124 L129 G130 D131 A220	V123-K127 HydrophobicContact CG1-CD 4.44Å; V123-K127 WeakPolarHBondContact O-CG 3.47Å; V123-K127 PolarHBondContact O-N 3.4Å; V123-K127 VanDerWaalsContact O-N 3.09Å; E124-K127 PolarHBondContact O-N 2.79Å; E124-K127 IonicContact OE1-NZ 3.7Å; E124-K127 PolarHBondContact OE1-NZ 2.9Å; K127-L129 VanDerWaalsContact C-N 3.34Å; K127-L129 PolarHBondContact O-N 3.42Å; K127-G130 PolarHBondContact O-N 3.05Å; K127-G130 VanDerWaalsContact O-N 3.16Å; K127-D131 PolarHBondContact O-N 3.39Å; K127-A220 HydrophobicContact CG-CB 4.07Å
128	L	82.8	Confident	82.1	Confident	27 Å²	27	49.9 Å²	49.9	14%	0.141	27%	0.268	C	S	.	.	H	α-helix	trans	-64.7	-37.9	-179.5	-69.1	173.5	0	0	0	112.2	L23 I110 E124 A125 A126 G130 D131 F132	L23-L128 HydrophobicContact CD1-CD1 3.89Å; L23-L128 HydrophobicContact CD1-CD2 3.4Å; L23-L128 HydrophobicContact CD1-CG 4.27Å; L23-L128 HydrophobicContact CD2-CD1 4.08Å; L23-L128 HydrophobicContact CD2-CD2 3.66Å; L23-L128 HydrophobicContact CD2-CG 4.36Å; L23-L128 HydrophobicContact CG-CD1 4.35Å; L23-L128 HydrophobicContact CG-CD2 4.14Å; I110-L128 HydrophobicContact CD1-CB 4.35Å; I110-L128 HydrophobicContact CG2-CB 4.22Å; E124-L128 WeakPolarHBondContact O-CB 3.38Å; E124-L128 WeakPolarHBondContact O-CG 3.34Å; E124-L128 PolarHBondContact O-N 3.45Å; A125-L128 PolarHBondContact O-N 3Å; A126-L128 PolarHBondContact O-N 2.81Å; L128-G130 PolarHBondContact O-N 3.32Å; L128-D131 PolarHBondContact O-N 3.1Å; L128-D131 VanDerWaalsContact O-N 3.08Å; L128-F132 WeakPolarHBondContact O-CD2 3.41Å; L128-F132 WeakPolarHBondContact O-CE2 3.4Å
129	L	85.9	Confident	81.8	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-57.4	-37.8	174.3	-67.8	172.9	0	0	0	111.6	F107 I110 M114 A125 A126 K127 D131 F132 F206	F107-L129 HydrophobicContact CD2-CD2 3.67Å; F107-L129 HydrophobicContact CE2-CB 4.31Å; F107-L129 HydrophobicContact CE2-CD2 3.58Å; F107-L129 HydrophobicContact CG-CD2 4.29Å; F107-L129 HydrophobicContact CZ-CD2 4.11Å; I110-L129 HydrophobicContact CB-CD2 3.84Å; I110-L129 HydrophobicContact CB-CG 4.48Å; I110-L129 HydrophobicContact CG2-CD2 3.6Å; I110-L129 HydrophobicContact CG2-CG 3.68Å; M114-L129 HydrophobicContact CG-CD1 3.72Å; M114-L129 HydrophobicContact SD-CD1 3.99Å; A125-L129 WeakPolarHBondContact O-CG 3.3Å; A125-L129 PolarHBondContact O-N 3.13Å; A126-L129 WeakPolarHBondContact O-CB 3.45Å; A126-L129 PolarHBondContact O-N 3.28Å; K127-L129 VanDerWaalsContact C-N 3.34Å; K127-L129 PolarHBondContact O-N 3.42Å; L129-D131 VanDerWaalsContact C-N 3.26Å; L129-D131 PolarHBondContact O-N 3.09Å; L129-F132 PolarHBondContact O-N 3.4Å; L129-F206 HydrophobicContact CB-CE1 3.99Å; L129-F206 HydrophobicContact CB-CZ 3.85Å; L129-F206 HydrophobicContact CD1-CD1 4.46Å; L129-F206 HydrophobicContact CD1-CE1 3.8Å; L129-F206 HydrophobicContact CD1-CZ 4.04Å; L129-F206 HydrophobicContact CG-CZ 4.5Å
130	G	84.3	Confident	81.5	Confident	2 Å²	2	46.5 Å²	46.5	2%	0.021	25%	0.245	C	C	.	.	H	α-helix	trans	-66.2	-22.3	177.2	0	0	0	0	0	115	A126 K127 L128 R133	A126-G130 PolarHBondContact O-N 3.23Å; K127-G130 PolarHBondContact O-N 3.05Å; K127-G130 VanDerWaalsContact O-N 3.16Å; L128-G130 PolarHBondContact O-N 3.32Å; G130-R133 PolarHBondContact O-NH1 3.31Å
131	D	83.9	Confident	81.3	Confident	114 Å²	114	44.8 Å²	44.8	61%	0.61	23%	0.228	S	C	*	.	H	α-helix	trans	-88.1	-10.4	-179.9	-76.3	-18.2	0	0	0	113.4	K127 L128 L129 R133	K127-D131 PolarHBondContact O-N 3.39Å; L128-D131 PolarHBondContact O-N 3.1Å; L128-D131 VanDerWaalsContact O-N 3.08Å; L129-D131 VanDerWaalsContact C-N 3.26Å; L129-D131 PolarHBondContact O-N 3.09Å; D131-R133 VanDerWaalsContact C-NH1 3.26Å; D131-R133 PolarHBondContact O-NH1 3.43Å
132	F	76.8	Confident	81.2	Confident	22 Å²	22	42.4 Å²	42.4	10%	0.096	22%	0.215	C	C	.	.			trans	-67.5	142	177.6	-82.1	-92.6	0	0	0	111.7	Y20 V103 A106 F107 I110 L128 L129 V135 L228	Y20-F132 HydrophobicContact CD2-CZ 4.45Å; Y20-F132 HydrophobicContact CE2-CE1 4.39Å; Y20-F132 HydrophobicContact CE2-CZ 4.09Å; V103-F132 HydrophobicContact CG1-CD1 4.09Å; A106-F132 HydrophobicContact CB-CE1 3.71Å; A106-F132 HydrophobicContact CB-CZ 4.08Å; F107-F132 HydrophobicContact CB-CD1 4.34Å; F107-F132 HydrophobicContact CD2-CB 4.04Å; F107-F132 HydrophobicContact CD2-CD1 4.42Å; F107-F132 HydrophobicContact CD2-CD2 4.09Å; F107-F132 AromaticContact CD2-CG 3.9Å; F107-F132 HydrophobicContact CD2-CG 3.9Å; I110-F132 HydrophobicContact CD1-CE2 3.27Å; I110-F132 HydrophobicContact CD1-CZ 3.33Å; L128-F132 WeakPolarHBondContact O-CD2 3.41Å; L128-F132 WeakPolarHBondContact O-CE2 3.4Å; L129-F132 PolarHBondContact O-N 3.4Å; F132-V135 HydrophobicContact CB-CG2 3.68Å; F132-V135 HydrophobicContact CD1-CG2 4.43Å; F132-V135 HydrophobicContact CG-CG2 4.35Å; F132-L228 WeakPolarHBondContact O-CD2 3.5Å
133	R	77.6	Confident	81	Confident	111 Å²	111	41.4 Å²	41.4	42%	0.419	21%	0.211	S	C	.	.			trans	-130.3	133.3	177.9	-58.9	-62.5	-177.8	-93.1	4.8	108.9	G130 D131 E231	G130-R133 PolarHBondContact O-NH1 3.31Å; D131-R133 VanDerWaalsContact C-NH1 3.26Å; D131-R133 PolarHBondContact O-NH1 3.43Å; R133-E231 WeakPolarHBondContact CD-OE1 3.45Å; R133-E231 WeakPolarHBondContact CD-OE2 3.25Å; R133-E231 IonicContact CZ-OE1 2.95Å; R133-E231 IonicContact NE-OE1 2.83Å; R133-E231 PolarHBondContact NE-OE1 2.89Å; R133-E231 IonicContact NE-OE2 2.64Å; R133-E231 IonicContact NH2-OE1 3.28Å
134	G	69.2	Low	80.6	Confident	48 Å²	48	41 Å²	41	50%	0.495	21%	0.208	S	C	.	.	S	Bend	trans	80.8	18.8	177	0	0	0	0	0	116.4	R101	R101-G134 PolarHBondContact NH1-O 3.02Å; R101-G134 PolarHBondContact NH2-O 3.25Å
135	V	75.5	Confident	80.3	Confident	11 Å²	11	38.7 Å²	38.7	7%	0.067	20%	0.199	C	C	.	.			trans	-60.9	142.4	168.9	-172.6	0	0	0	0	109	V103 F107 F132 F139 L140	V103-V135 HydrophobicContact CG1-CG2 4.07Å; F107-V135 HydrophobicContact CB-CG1 4.32Å; F107-V135 HydrophobicContact CB-CG2 4.23Å; F107-V135 HydrophobicContact CD1-CG1 3.76Å; F107-V135 HydrophobicContact CD2-CG1 4.2Å; F107-V135 HydrophobicContact CD2-CG2 3.63Å; F107-V135 HydrophobicContact CE1-CG1 4.05Å; F107-V135 HydrophobicContact CE2-CG1 4.47Å; F107-V135 HydrophobicContact CE2-CG2 4.11Å; F107-V135 HydrophobicContact CG-CG1 3.84Å; F107-V135 HydrophobicContact CG-CG2 3.93Å; F107-V135 HydrophobicContact CZ-CG1 4.42Å; F132-V135 HydrophobicContact CB-CG2 3.68Å; F132-V135 HydrophobicContact CD1-CG2 4.43Å; F132-V135 HydrophobicContact CG-CG2 4.35Å; V135-F139 HydrophobicContact CG1-CB 3.95Å; V135-L140 HydrophobicContact CB-CD1 4.34Å; V135-L140 HydrophobicContact CB-CD2 3.95Å; V135-L140 HydrophobicContact CB-CG 4Å; V135-L140 HydrophobicContact CG1-CD2 3.81Å; V135-L140 HydrophobicContact CG1-CG 3.82Å; V135-L140 HydrophobicContact CG2-CD2 4.49Å
136	S	73.9	Confident	79.5	Confident	27 Å²	27	44.1 Å²	44.1	19%	0.189	22%	0.222	C	C	.	.			trans	-69.6	141.4	-179.9	50.4	0	0	0	0	111	R101 D104 K138 F139 L140	R101-S136 VanDerWaalsContact NH2-CB 3.28Å; D104-S136 VanDerWaalsContact CG-OG 3.31Å; D104-S136 PolarHBondContact OD1-N 3.45Å; D104-S136 PolarHBondContact OD1-OG 2.95Å; D104-S136 PolarHBondContact OD2-OG 3.26Å; S136-K138 PolarHBondContact O-N 3.4Å; S136-F139 WeakPolarHBondContact O-CB 3.04Å; S136-F139 PolarHBondContact O-N 2.98Å; S136-F139 WeakPolarHBondContact OG-CB 3.37Å; S136-F139 WeakPolarHBondContact OG-CD2 3.47Å; S136-F139 WeakPolarHBondContact OG-CG 3.43Å; S136-L140 PolarHBondContact O-N 3.28Å
137	D	79	Confident	77.8	Confident	80 Å²	80	51.7 Å²	51.7	43%	0.428	26%	0.255	S	S	.	.	H	α-helix	trans	-56.8	-41.4	-176.2	-53.3	-21	0	0	0	111.5	F139 L140 E141 N232	D137-F139 VanDerWaalsContact C-N 3.3Å; D137-F139 PolarHBondContact O-N 3.22Å; D137-L140 PolarHBondContact O-N 3.05Å; D137-E141 WeakPolarHBondContact O-CB 3.33Å; D137-E141 VanDerWaalsContact O-CG 3.23Å; D137-E141 WeakPolarHBondContact O-CG 3.37Å; D137-E141 PolarHBondContact O-N 3.19Å; D137-N232 PolarHBondContact OD1-ND2 3.23Å
138	K	74.7	Confident	75.8	Confident	143 Å²	143	49.9 Å²	49.9	62%	0.622	25%	0.247	S	C	*	.	H	α-helix	trans	-60.2	-37	175.7	-63.2	-172.5	178	-172.4	0	113.4	S136 Q142 L197	S136-K138 PolarHBondContact O-N 3.4Å; K138-Q142 WeakPolarHBondContact O-CG 3.35Å; K138-Q142 PolarHBondContact O-N 3.09Å; K138-L197 HydrophobicContact CB-CD1 3.83Å; K138-L197 HydrophobicContact CD-CD1 3.81Å; K138-L197 HydrophobicContact CG-CD1 4.49Å
139	F	75.5	Confident	73.8	Confident	6 Å²	6	54.1 Å²	54.1	3%	0.026	26%	0.261	C	S	.	.	H	α-helix	trans	-70.8	-43.5	177	-89	-114.3	0	0	0	110.7	L100 D104 V135 S136 D137 E141 Q142 T143 L197 I198	L100-F139 HydrophobicContact CD2-CE2 4.26Å; L100-F139 HydrophobicContact CD2-CZ 3.7Å; D104-F139 HydrophobicContact CB-CD1 3.91Å; D104-F139 HydrophobicContact CB-CD2 4.37Å; D104-F139 HydrophobicContact CB-CE1 3.85Å; D104-F139 HydrophobicContact CB-CE2 4.25Å; D104-F139 HydrophobicContact CB-CG 4.2Å; D104-F139 HydrophobicContact CB-CZ 4.04Å; V135-F139 HydrophobicContact CG1-CB 3.95Å; S136-F139 WeakPolarHBondContact O-CB 3.04Å; S136-F139 PolarHBondContact O-N 2.98Å; S136-F139 WeakPolarHBondContact OG-CB 3.37Å; S136-F139 WeakPolarHBondContact OG-CD2 3.47Å; S136-F139 WeakPolarHBondContact OG-CG 3.43Å; D137-F139 VanDerWaalsContact C-N 3.3Å; D137-F139 PolarHBondContact O-N 3.22Å; F139-E141 VanDerWaalsContact C-N 3.33Å; F139-E141 PolarHBondContact O-N 2.96Å; F139-Q142 PolarHBondContact O-N 3.29Å; F139-T143 PolarHBondContact O-N 3.29Å; F139-L197 HydrophobicContact CD2-CB 4.12Å; F139-L197 HydrophobicContact CD2-CD1 4.48Å; F139-L197 HydrophobicContact CE2-CB 3.49Å; F139-L197 VanDerWaalsContact CE2-CB 3.49Å; F139-L197 HydrophobicContact CE2-CD1 4.27Å; F139-L197 HydrophobicContact CE2-CG 4.34Å; F139-L197 HydrophobicContact CZ-CB 3.83Å; F139-L197 WeakPolarHBondContact CZ-O 3.41Å; F139-I198 HydrophobicContact CB-CD1 3.89Å; F139-I198 HydrophobicContact CB-CG1 4.36Å; F139-I198 HydrophobicContact CD1-CD1 3.48Å; F139-I198 VanDerWaalsContact CD1-CD1 3.48Å; F139-I198 HydrophobicContact CD1-CG1 3.16Å; F139-I198 HydrophobicContact CD2-CG1 4.49Å; F139-I198 HydrophobicContact CE1-CB 4.48Å; F139-I198 HydrophobicContact CE1-CD1 4.19Å; F139-I198 HydrophobicContact CE1-CG1 3.35Å; F139-I198 HydrophobicContact CG-CD1 3.87Å; F139-I198 HydrophobicContact CG-CG1 3.78Å; F139-I198 HydrophobicContact CZ-CG1 4.13Å; F139-I198 VanDerWaalsContact O-CD1 3.23Å; F139-I198 WeakPolarHBondContact O-CD1 2.95Å
140	L	82.7	Confident	71.5	Confident	7 Å²	7	58.1 Å²	58.1	4%	0.037	29%	0.289	C	S	.	.	H	α-helix	trans	-59.4	-46.3	175.5	-68.6	175.9	0	0	0	110.9	F107 V135 S136 D137 Q142 T143 L228 F235	F107-L140 HydrophobicContact CE1-CD2 4.11Å; F107-L140 HydrophobicContact CE2-CD2 4.07Å; F107-L140 HydrophobicContact CZ-CD2 3.58Å; V135-L140 HydrophobicContact CB-CD1 4.34Å; V135-L140 HydrophobicContact CB-CD2 3.95Å; V135-L140 HydrophobicContact CB-CG 4Å; V135-L140 HydrophobicContact CG1-CD2 3.81Å; V135-L140 HydrophobicContact CG1-CG 3.82Å; V135-L140 HydrophobicContact CG2-CD2 4.49Å; S136-L140 PolarHBondContact O-N 3.28Å; D137-L140 PolarHBondContact O-N 3.05Å; L140-Q142 VanDerWaalsContact C-N 3.34Å; L140-Q142 PolarHBondContact O-N 3.47Å; L140-T143 PolarHBondContact O-N 3.36Å; L140-T143 VanDerWaalsContact O-N 3.07Å; L140-T143 PolarHBondContact O-OG1 3.47Å; L140-L228 HydrophobicContact CD2-CD1 4.03Å; L140-L228 HydrophobicContact CD2-CD2 4.43Å; L140-F235 HydrophobicContact CB-CD2 3.64Å; L140-F235 HydrophobicContact CB-CE2 3.87Å; L140-F235 HydrophobicContact CB-CG 4.27Å; L140-F235 WeakPolarHBondContact O-CE2 3.27Å
141	E	81.6	Confident	69.2	Low	45 Å²	45	61.2 Å²	61.2	21%	0.21	32%	0.321	C	S	.	.	H	α-helix	trans	-60.5	-41.2	179.3	-70.4	178.8	168.9	0	0	113.1	D137 F139 T143 L144 D145 K238	D137-E141 WeakPolarHBondContact O-CB 3.33Å; D137-E141 VanDerWaalsContact O-CG 3.23Å; D137-E141 WeakPolarHBondContact O-CG 3.37Å; D137-E141 PolarHBondContact O-N 3.19Å; F139-E141 VanDerWaalsContact C-N 3.33Å; F139-E141 PolarHBondContact O-N 2.96Å; E141-T143 PolarHBondContact O-N 3.1Å; E141-L144 PolarHBondContact O-N 3.34Å; E141-D145 PolarHBondContact O-N 3.16Å; E141-K238 HydrophobicContact CG-CD 3.96Å; E141-K238 IonicContact OE1-NZ 2.96Å; E141-K238 PolarHBondContact OE1-NZ 2.75Å; E141-K238 IonicContact OE2-NZ 3.07Å; E141-K238 PolarHBondContact OE2-NZ 3.29Å
142	Q	80	Confident	66.7	Low	13 Å²	13	61 Å²	61	6%	0.061	32%	0.32	C	S	.	.	H	α-helix	trans	-62.6	-24.5	176.8	-76.7	176.9	4.3	0	0	112.9	K138 F139 L140 L144 D145 L197 I198 C203 G204	K138-Q142 WeakPolarHBondContact O-CG 3.35Å; K138-Q142 PolarHBondContact O-N 3.09Å; F139-Q142 PolarHBondContact O-N 3.29Å; L140-Q142 VanDerWaalsContact C-N 3.34Å; L140-Q142 PolarHBondContact O-N 3.47Å; Q142-L144 PolarHBondContact O-N 3.44Å; Q142-D145 PolarHBondContact O-N 2.98Å; Q142-L197 VanDerWaalsContact OE1-N 3.12Å; Q142-I198 HydrophobicContact CB-CD1 3.88Å; Q142-I198 HydrophobicContact CB-CG1 4.49Å; Q142-I198 VanDerWaalsContact OE1-N 3.09Å; Q142-C203 PolarHBondContact O-SG 2.81Å; Q142-G204 PolarHBondContact O-N 3.16Å
143	T	82.5	Confident	64.8	Low	0 Å²	0	64.8 Å²	64.8	0%	0	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-14	173.8	62.6	0	0	0	0	114.1	F107 F139 L140 E141 I198 G204 A205 F206	F107-T143 HydrophobicContact CE1-CG2 3.61Å; F107-T143 HydrophobicContact CZ-CG2 4.14Å; F139-T143 PolarHBondContact O-N 3.29Å; L140-T143 PolarHBondContact O-N 3.36Å; L140-T143 VanDerWaalsContact O-N 3.07Å; L140-T143 PolarHBondContact O-OG1 3.47Å; E141-T143 PolarHBondContact O-N 3.1Å; T143-I198 HydrophobicContact CG2-CD1 4.3Å; T143-G204 CarbonylContact O-C 3.58Å; T143-G204 VanDerWaalsContact O-C 3.3Å; T143-G204 VanDerWaalsContact O-CA 3.25Å; T143-G204 WeakPolarHBondContact O-CA 3.26Å; T143-A205 PolarHBondContact O-N 3.16Å; T143-F206 PolarHBondContact O-N 3.18Å; T143-F206 WeakPolarHBondContact OG1-CD2 3.27Å
144	L	81	Confident	62.6	Low	10 Å²	10	63.5 Å²	63.5	5%	0.052	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.5	8.7	173.8	-64.3	178	0	0	0	112.8	E141 Q142 K146 F206 I207 F235 K238 C239 F242	E141-L144 PolarHBondContact O-N 3.34Å; Q142-L144 PolarHBondContact O-N 3.44Å; L144-K146 PolarHBondContact O-N 3.36Å; L144-F206 HydrophobicContact CD2-CB 4.03Å; L144-I207 WeakPolarHBondContact O-CD1 3.36Å; L144-F235 HydrophobicContact CD1-CD2 3.73Å; L144-F235 HydrophobicContact CD1-CE2 3.24Å; L144-F235 HydrophobicContact CD1-CZ 3.76Å; L144-F235 HydrophobicContact CD2-CE2 4.49Å; L144-F235 HydrophobicContact CD2-CZ 4.48Å; L144-F235 HydrophobicContact CG-CE2 3.63Å; L144-F235 HydrophobicContact CG-CZ 4.09Å; L144-K238 HydrophobicContact CD1-CB 4.22Å; L144-C239 HydrophobicContact CD1-CB 3.87Å; L144-F242 HydrophobicContact CB-CE2 3.89Å; L144-F242 HydrophobicContact CB-CZ 4.42Å; L144-F242 HydrophobicContact CD1-CE2 4.48Å; L144-F242 HydrophobicContact CD2-CD2 3.97Å; L144-F242 HydrophobicContact CD2-CE2 4.17Å; L144-F242 HydrophobicContact CG-CE2 4.41Å; L144-F242 VanDerWaalsContact O-CZ 3.24Å; L144-F242 WeakPolarHBondContact O-CZ 3.44Å
145	D	77.4	Confident	61	Low	46 Å²	46	65.7 Å²	65.7	25%	0.246	35%	0.354	C	S	.	.			trans	-83.9	112.7	178.3	-87.3	-27	0	0	0	111.3	E141 Q142 K147 Y194	E141-D145 PolarHBondContact O-N 3.16Å; Q142-D145 PolarHBondContact O-N 2.98Å; D145-K147 PolarHBondContact O-N 3.46Å; D145-Y194 PolarHBondContact OD2-OH 3.03Å
146	K	66.7	Low	59.1	Low	119 Å²	119	70.5 Å²	70.5	52%	0.517	38%	0.375	S	S	.	.	G	3₁₀ helix	trans	-72.1	-18.3	177.8	-162.4	162.8	-175.9	150.4	0	113.1	L144 F148 R149 I207 E211	L144-K146 PolarHBondContact O-N 3.36Å; K146-F148 PolarHBondContact O-N 3.02Å; K146-F148 VanDerWaalsContact O-N 3.13Å; K146-R149 PolarHBondContact O-N 3.21Å; K146-I207 HydrophobicContact CB-CD1 3.78Å; K146-I207 HydrophobicContact CG-CD1 4.32Å; K146-E211 IonicContact NZ-OE1 3.72Å; K146-E211 PolarHBondContact NZ-OE1 3.42Å; K146-E211 VanDerWaalsContact NZ-OE1 3.16Å
147	K	53.8	Low	57.1	Low	159 Å²	159	74.8 Å²	74.8	69%	0.691	40%	0.396	S	S	*	.	G	3₁₀ helix	trans	-63.8	-19.9	-167.5	-69.2	-171.5	177	-174.7	0	115.1	D145	D145-K147 PolarHBondContact O-N 3.46Å
148	F	46.2	Very low	54.9	Low	58 Å²	58	76.7 Å²	76.7	25%	0.254	40%	0.4	S	S	.	.	G	3₁₀ helix	trans	-93.8	-6.6	179.6	-83	-90.7	0	0	0	114.7	K146 S150 Y194 P196 S200 C203	K146-F148 PolarHBondContact O-N 3.02Å; K146-F148 VanDerWaalsContact O-N 3.13Å; F148-S150 VanDerWaalsContact C-N 3.35Å; F148-Y194 HydrophobicContact CE2-CE1 4.06Å; F148-P196 HydrophobicContact CZ-CG 4.1Å; F148-S200 VanDerWaalsContact CD1-OG 3.26Å; F148-S200 WeakPolarHBondContact CD1-OG 3.41Å; F148-S200 WeakPolarHBondContact CE1-OG 3.43Å; F148-C203 HydrophobicContact CB-CB 4.17Å; F148-C203 HydrophobicContact CD2-CB 4.26Å; F148-C203 WeakPolarHBondContact CD2-SG 3.21Å; F148-C203 HydrophobicContact CG-CB 4.27Å
149	R	42.6	Very low	53	Low	116 Å²	116	73.1 Å²	73.1	44%	0.438	39%	0.388	S	S	.	.			trans	-77.6	-14.9	177.1	-73.1	-172.7	96.4	165.2	12.2	113.8	K146 G151 I207 E211	K146-R149 PolarHBondContact O-N 3.21Å; R149-G151 PolarHBondContact O-N 2.73Å; R149-I207 PolarHBondContact NH1-O 3.49Å; R149-E211 IonicContact CZ-OE2 3.92Å; R149-E211 IonicContact NH1-OE2 3.12Å; R149-E211 PolarHBondContact NH1-OE2 2.7Å
150	S	36.3	Very low	51.2	Low	83 Å²	83	76.8 Å²	76.8	58%	0.58	41%	0.407	S	S	*	.	S	Bend	trans	-75.2	96.7	165.8	57.5	0	0	0	0	107.8	F148 N152	F148-S150 VanDerWaalsContact C-N 3.35Å; S150-N152 PolarHBondContact O-N 3.39Å
151	G	36.3	Very low	48.9	Very low	68 Å²	68	81.4 Å²	81.4	70%	0.701	43%	0.429	S	S	*	.			trans	-65.5	62.9	-176.6	0	0	0	0	0	114.1	R149 P153	R149-G151 PolarHBondContact O-N 2.73Å; G151-P153 VanDerWaalsContact O-CD 3.23Å; G151-P153 WeakPolarHBondContact O-CD 3.23Å
152	N	32.4	Very low	46.7	Very low	109 Å²	109	84.9 Å²	84.9	58%	0.583	45%	0.446	S	S	*	.			trans	-86.2	104.7	165.1	-85.6	-16.4	0	0	0	108	S150 C154	S150-N152 PolarHBondContact O-N 3.39Å; N152-C154 PolarHBondContact O-N 3.31Å
153	P	35.4	Very low	44.7	Very low	102 Å²	102	89 Å²	89	66%	0.662	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-14.9	177.6	-15.2	31	0	0	0	112.4	G151 N155 H156	G151-P153 VanDerWaalsContact O-CD 3.23Å; G151-P153 WeakPolarHBondContact O-CD 3.23Å; P153-N155 PolarHBondContact O-N 2.78Å; P153-H156 PolarHBondContact O-N 2.8Å
154	C	32	Very low	42.5	Very low	84 Å²	84	98.8 Å²	98.8	57%	0.568	51%	0.509	S	S	*	.	H	α-helix	trans	-66.9	-29.4	-174.4	-58.5	0	0	0	0	113.8	N152 H156	N152-C154 PolarHBondContact O-N 3.31Å; C154-H156 VanDerWaalsContact C-N 3.33Å
155	N	34.9	Very low	40.2	Very low	94 Å²	94	102.7 Å²	102.7	50%	0.503	53%	0.53	S	S	.	.	H	α-helix	trans	-74.7	-26.3	179.1	-73.5	-5.1	0	0	0	112.5	P153 L159	P153-N155 PolarHBondContact O-N 2.78Å; N155-L159 PolarHBondContact O-N 2.75Å
156	H	35.8	Very low	38.2	Very low	111 Å²	111	105.5 Å²	105.5	51%	0.514	55%	0.554	S	S	.	*	H	α-helix	trans	-74	-32.7	-178	-168.9	-72.3	0	0	0	112.5	P153 C154 L160	P153-H156 PolarHBondContact O-N 2.8Å; C154-H156 VanDerWaalsContact C-N 3.33Å; H156-L160 VanDerWaalsContact CE1-CD1 3.43Å; H156-L160 WeakPolarHBondContact CE1-CD1 3.33Å
157	L	32.7	Very low	36.6	Very low	118 Å²	118	104.9 Å²	104.9	62%	0.618	56%	0.564	S	S	*	*	H	α-helix	trans	-76.3	-33.6	178.7	-155.6	71.4	0	0	0	111.9	Q161	L157-Q161 PolarHBondContact O-N 3.38Å
158	F	32.3	Very low	35.7	Very low	120 Å²	120	103.7 Å²	103.7	53%	0.526	56%	0.564	S	S	.	*	H	α-helix	trans	-72.8	-40.5	-177.7	-161	-106.3	0	0	0	112.9	Q161 M162	F158-Q161 PolarHBondContact O-N 3.16Å; F158-M162 HydrophobicContact CD1-CE 4.14Å; F158-M162 HydrophobicContact CD1-SD 4.35Å; F158-M162 HydrophobicContact CE1-CE 3.29Å; F158-M162 HydrophobicContact CE1-SD 4Å; F158-M162 HydrophobicContact CZ-CE 3.55Å; F158-M162 PolarHBondContact O-N 3.07Å; F158-M162 VanDerWaalsContact O-N 3.16Å
159	L	35.9	Very low	34.9	Very low	67 Å²	67	107.8 Å²	107.8	35%	0.351	59%	0.588	S	S	.	*	H	α-helix	trans	-68.3	-33.7	176.1	-93.4	158	0	0	0	113.3	N155 T163	N155-L159 PolarHBondContact O-N 2.75Å; L159-T163 PolarHBondContact O-N 2.97Å; L159-T163 PolarHBondContact O-OG1 3.27Å
160	L	36.7	Very low	34.2	Very low	83 Å²	83	107.4 Å²	107.4	44%	0.435	60%	0.604	S	S	.	*	H	α-helix	trans	-72.6	-26.6	175.1	-88.4	162.1	0	0	0	113.2	H156 T163	H156-L160 VanDerWaalsContact CE1-CD1 3.43Å; H156-L160 WeakPolarHBondContact CE1-CD1 3.33Å; L160-T163 PolarHBondContact O-OG1 3.04Å
161	Q	35.6	Very low	33.8	Very low	105 Å²	105	112.6 Å²	112.6	49%	0.491	62%	0.619	S	S	.	*	H	α-helix	trans	-74.6	-43.8	172.3	-81.1	174.6	-49.4	0	0	111.3	L157 F158 T163 R164 D165	L157-Q161 PolarHBondContact O-N 3.38Å; F158-Q161 PolarHBondContact O-N 3.16Å; Q161-T163 VanDerWaalsContact C-N 3.29Å; Q161-T163 PolarHBondContact O-N 3.34Å; Q161-R164 PolarHBondContact O-N 3.23Å; Q161-R164 VanDerWaalsContact O-N 3.15Å; Q161-D165 PolarHBondContact O-N 3.32Å
162	M	34.8	Very low	33.6	Very low	118 Å²	118	114.3 Å²	114.3	58%	0.581	62%	0.62	S	S	*	*	H	α-helix	trans	-65	-28.5	-179.6	-71.9	-165.2	162.5	0	0	114.5	F158	F158-M162 HydrophobicContact CD1-CE 4.14Å; F158-M162 HydrophobicContact CD1-SD 4.35Å; F158-M162 HydrophobicContact CE1-CE 3.29Å; F158-M162 HydrophobicContact CE1-SD 4Å; F158-M162 HydrophobicContact CZ-CE 3.55Å; F158-M162 PolarHBondContact O-N 3.07Å; F158-M162 VanDerWaalsContact O-N 3.16Å
163	T	37.7	Very low	33.5	Very low	100 Å²	100	116.8 Å²	116.8	61%	0.613	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84	-15.3	177.6	46.8	0	0	0	0	113.8	L159 L160 Q161	L159-T163 PolarHBondContact O-N 2.97Å; L159-T163 PolarHBondContact O-OG1 3.27Å; L160-T163 PolarHBondContact O-OG1 3.04Å; Q161-T163 VanDerWaalsContact C-N 3.29Å; Q161-T163 PolarHBondContact O-N 3.34Å
164	R	35.6	Very low	33.6	Very low	205 Å²	205	120.3 Å²	120.3	77%	0.774	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96	-26.8	174.9	-85.7	-177.6	170.2	166	-0.4	113.7	Q161	Q161-R164 PolarHBondContact O-N 3.23Å; Q161-R164 VanDerWaalsContact O-N 3.15Å
165	D	33.1	Very low	33.7	Very low	91 Å²	91	128 Å²	128	49%	0.487	66%	0.658	S	S	.	*			trans	-100.4	27.1	-170.9	-67.6	-25.1	0	0	0	114.3	Q161 S167 I168	Q161-D165 PolarHBondContact O-N 3.32Å; D165-S167 PolarHBondContact O-N 2.94Å; D165-I168 PolarHBondContact O-N 3.33Å
166	S	35.8	Very low	33.8	Very low	106 Å²	106	127.4 Å²	127.4	74%	0.741	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66	19	175.4	-37.4	0	0	0	0	114.7
167	S	33.6	Very low	34	Very low	105 Å²	105	127.9 Å²	127.9	73%	0.734	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-146	17.6	-177.1	67.4	0	0	0	0	115.7	D165	D165-S167 PolarHBondContact O-N 2.94Å
168	I	33.9	Very low	34.4	Very low	135 Å²	135	126.2 Å²	126.2	69%	0.692	69%	0.688	S	S	*	*	S	Bend	trans	-128.9	128	176.7	-59.1	179.1	0	0	0	111	D165	D165-I168 PolarHBondContact O-N 3.33Å
169	D	28.7	Very low	34.9	Very low	143 Å²	143	131.4 Å²	131.4	77%	0.765	70%	0.704	S	S	*	*			trans	-49.1	135.2	-171.8	-71.5	-54.8	0	0	0	115.3
170	S	28.4	Very low	35.1	Very low	108 Å²	108	135 Å²	135	76%	0.755	72%	0.721	S	S	*	*	S	Bend		4.5	121.7	128.2	-44	0	0	0	0	115.5
171	Q	28.1	Very low	35	Very low	193 Å²	193	141.9 Å²	141.9	90%	0.902	75%	0.748	S	S	*	*			trans	92.7	89.5	169.9	-54.3	178.2	-9.8	0	0	116.3
172	S	32.4	Very low	35.4	Very low	104 Å²	104	139.9 Å²	139.9	73%	0.727	76%	0.755	S	S	*	*			trans	-156.3	119.1	135.9	45.9	0	0	0	0	111.6	E174	S172-E174 PolarHBondContact O-N 3.05Å
173	N	31.1	Very low	35.8	Very low	161 Å²	161	137.3 Å²	137.3	86%	0.861	75%	0.753	S	S	*	*			trans	-69	107.7	162.9	-76.6	-38	0	0	0	107.9
174	E	35.7	Very low	36.1	Very low	176 Å²	176	139.8 Å²	139.8	82%	0.822	76%	0.763	S	S	*	*			trans	-119.4	113.8	167.8	-74.7	-165.8	159.6	0	0	110.9	S172	S172-E174 PolarHBondContact O-N 3.05Å
175	W	35.1	Very low	36.4	Very low	245 Å²	245	133.6 Å²	133.6	93%	0.928	76%	0.755	S	S	*	*			trans	-65.7	143.2	176	-67.6	-13.5	0	0	0	111.6	T177	W175-T177 PolarHBondContact O-N 2.78Å
176	A	36.2	Very low	36.5	Very low	82 Å²	82	135 Å²	135	68%	0.678	77%	0.769	S	S	*	*			trans	-61.2	125	179.1	0	0	0	0	0	111.9	G178	A176-G178 PolarHBondContact O-N 3.48Å; A176-G178 VanDerWaalsContact O-N 3.1Å
177	T	40.2	Very low	36.8	Very low	121 Å²	121	134 Å²	134	74%	0.742	77%	0.767	S	S	*	*			trans	-73.1	99.2	170.4	53.6	0	0	0	0	108.3	W175 R179	W175-T177 PolarHBondContact O-N 2.78Å; T177-R179 PolarHBondContact O-N 3.35Å
178	G	40.9	Very low	37.1	Very low	82 Å²	82	137.2 Å²	137.2	85%	0.845	77%	0.771	S	S	*	*	S	Bend	trans	-59.9	67.1	-172.6	0	0	0	0	0	116.4	A176	A176-G178 PolarHBondContact O-N 3.48Å; A176-G178 VanDerWaalsContact O-N 3.1Å
179	R	44.2	Very low	37.2	Very low	230 Å²	230	139.1 Å²	139.1	87%	0.868	78%	0.782	S	S	*	*			trans	-108.7	-4	178.6	-71.6	-171.1	-180	-178.1	2.5	114.1	T177	T177-R179 PolarHBondContact O-N 3.35Å
180	M	39.6	Very low	37.9	Very low	143 Å²	143	136.9 Å²	136.9	70%	0.704	77%	0.769	S	S	*	*	S	Bend	trans	-134	120.8	178.3	-67.4	-176.4	64.5	0	0	110.9	G182 A183	M180-G182 PolarHBondContact O-N 3.39Å; M180-A183 PolarHBondContact O-N 3.29Å
181	F	33.4	Very low	38.2	Very low	226 Å²	226	137.6 Å²	137.6	99%	0.991	76%	0.764	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.8	117.9	167.9	-96.6	-95.3	0	0	0	108.7
182	G	45.5	Very low	38.4	Very low	63 Å²	63	132.3 Å²	132.3	65%	0.649	76%	0.761	S	S	*	*	T	Hydrogen-bonded Turn	trans	114.9	0.4	179.7	0	0	0	0	0	116	M180 D184	M180-G182 PolarHBondContact O-N 3.39Å; G182-D184 PolarHBondContact O-N 2.73Å
183	A	43.4	Very low	38.5	Very low	64 Å²	64	131.8 Å²	131.8	53%	0.529	76%	0.758	S	S	.	*	T	Hydrogen-bonded Turn	trans	-72.1	-4.9	177.9	0	0	0	0	0	114.8	M180	M180-A183 PolarHBondContact O-N 3.29Å
184	D	42.4	Very low	39	Very low	153 Å²	153	127.8 Å²	127.8	82%	0.818	73%	0.731	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.2	4.9	-177.3	-60.7	-34.9	0	0	0	113.8	G182	G182-D184 PolarHBondContact O-N 2.73Å
185	A	43.6	Very low	39.5	Very low	75 Å²	75	125.2 Å²	125.2	62%	0.62	72%	0.722	S	S	*	*	S	Bend	trans	-73.7	124.1	173.8	0	0	0	0	0	109.4	A187	A185-A187 PolarHBondContact O-N 3.23Å; A185-A187 VanDerWaalsContact O-N 3.1Å
186	P	34.9	Very low	40.2	Very low	120 Å²	120	115.4 Å²	115.4	78%	0.779	69%	0.69	S	S	*	*	P	Polyproline II helix	trans	-59.2	121.5	176.7	24.4	-31.1	0	0	0	108.2	E188	P186-E188 PolarHBondContact O-N 3.12Å
187	A	42.8	Very low	41	Very low	85 Å²	85	115 Å²	115	70%	0.702	68%	0.676	S	S	*	*	P	Polyproline II helix	trans	-53.9	117.4	170.9	0	0	0	0	0	107.7	A185 L189	A185-A187 PolarHBondContact O-N 3.23Å; A185-A187 VanDerWaalsContact O-N 3.1Å; A187-L189 PolarHBondContact O-N 2.95Å
188	E	38	Very low	41.8	Very low	172 Å²	172	109.6 Å²	109.6	80%	0.804	64%	0.642	S	S	*	*			trans	-57.1	115.5	168.5	-78.3	-174.3	163.9	0	0	106.8	P186 L190	P186-E188 PolarHBondContact O-N 3.12Å; E188-L190 PolarHBondContact O-N 3.41Å
189	L	37.7	Very low	42.6	Very low	176 Å²	176	109.6 Å²	109.6	92%	0.921	62%	0.623	S	S	*	*			trans	-58.5	93	169.1	-83.9	143.7	0	0	0	107.4	A187 D191	A187-L189 PolarHBondContact O-N 2.95Å; L189-D191 PolarHBondContact O-N 3.23Å
190	L	41.6	Very low	43.3	Very low	95 Å²	95	100.8 Å²	100.8	50%	0.497	60%	0.597	S	S	.	*			trans	-58.5	121.2	166.8	-72.4	167.8	0	0	0	106.8	E188 G192	E188-L190 PolarHBondContact O-N 3.41Å; L190-G192 PolarHBondContact O-N 3.01Å
191	D	35.3	Very low	44.2	Very low	123 Å²	123	97.9 Å²	97.9	66%	0.658	58%	0.581	S	S	*	*			trans	-52.4	128.5	177.3	-169.5	32.5	0	0	0	108.9	L189 S193 Y194	L189-D191 PolarHBondContact O-N 3.23Å; D191-S193 PolarHBondContact O-N 3.21Å; D191-S193 PolarHBondContact OD2-OG 3.4Å; D191-Y194 PolarHBondContact O-N 3.41Å
192	G	32.8	Very low	45.6	Very low	82 Å²	82	87.1 Å²	87.1	85%	0.845	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	8.9	-171.2	0	0	0	0	0	115.3	L190	L190-G192 PolarHBondContact O-N 3.01Å
193	S	33.9	Very low	46.8	Very low	93 Å²	93	84.7 Å²	84.7	65%	0.65	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.3	-16.3	173.4	65	0	0	0	0	113.4	D191 I195	D191-S193 PolarHBondContact O-N 3.21Å; D191-S193 PolarHBondContact OD2-OG 3.4Å; S193-I195 PolarHBondContact O-N 3.08Å
194	Y	42.5	Very low	48.4	Very low	78 Å²	78	81.7 Å²	81.7	31%	0.306	48%	0.482	S	S	.	.			trans	-94.4	89.4	-177.5	-165.2	-89.8	0	0	0	111.3	D145 F148 D191 P196	D145-Y194 PolarHBondContact OD2-OH 3.03Å; F148-Y194 HydrophobicContact CE2-CE1 4.06Å; D191-Y194 PolarHBondContact O-N 3.41Å; Y194-P196 HydrophobicContact CE1-CG 4.35Å
195	I	45.9	Very low	50.4	Low	121 Å²	121	74.4 Å²	74.4	62%	0.621	44%	0.443	S	S	*	.			trans	-100	115.3	169.8	-56.1	171.6	0	0	0	106.7	S193 L197	S193-I195 PolarHBondContact O-N 3.08Å; I195-L197 PolarHBondContact O-N 3.36Å
196	P	48.9	Very low	52.6	Low	40 Å²	40	70.8 Å²	70.8	26%	0.26	41%	0.414	S	S	.	.			trans	-55.2	116.1	171.9	-20.4	30.9	0	0	0	108.5	F148 Y194	F148-P196 HydrophobicContact CZ-CG 4.1Å; Y194-P196 HydrophobicContact CE1-CG 4.35Å
197	L	52.8	Low	55.1	Low	73 Å²	73	65.1 Å²	65.1	38%	0.382	38%	0.377	S	S	.	.			trans	-88.3	-23.2	-178.6	-73.4	160.8	0	0	0	110.4	K138 F139 Q142 I195	K138-L197 HydrophobicContact CB-CD1 3.83Å; K138-L197 HydrophobicContact CD-CD1 3.81Å; K138-L197 HydrophobicContact CG-CD1 4.49Å; F139-L197 HydrophobicContact CD2-CB 4.12Å; F139-L197 HydrophobicContact CD2-CD1 4.48Å; F139-L197 HydrophobicContact CE2-CB 3.49Å; F139-L197 VanDerWaalsContact CE2-CB 3.49Å; F139-L197 HydrophobicContact CE2-CD1 4.27Å; F139-L197 HydrophobicContact CE2-CG 4.34Å; F139-L197 HydrophobicContact CZ-CB 3.83Å; F139-L197 WeakPolarHBondContact CZ-O 3.41Å; Q142-L197 VanDerWaalsContact OE1-N 3.12Å; I195-L197 PolarHBondContact O-N 3.36Å
198	I	57.1	Low	57.2	Low	7 Å²	7	61.7 Å²	61.7	4%	0.036	35%	0.349	C	S	.	.	S	Bend	trans	-95.8	144.3	174.8	-67.3	-177.2	0	0	0	109.1	F139 Q142 T143 S200	F139-I198 HydrophobicContact CB-CD1 3.89Å; F139-I198 HydrophobicContact CB-CG1 4.36Å; F139-I198 HydrophobicContact CD1-CD1 3.48Å; F139-I198 VanDerWaalsContact CD1-CD1 3.48Å; F139-I198 HydrophobicContact CD1-CG1 3.16Å; F139-I198 HydrophobicContact CD2-CG1 4.49Å; F139-I198 HydrophobicContact CE1-CB 4.48Å; F139-I198 HydrophobicContact CE1-CD1 4.19Å; F139-I198 HydrophobicContact CE1-CG1 3.35Å; F139-I198 HydrophobicContact CG-CD1 3.87Å; F139-I198 HydrophobicContact CG-CG1 3.78Å; F139-I198 HydrophobicContact CZ-CG1 4.13Å; F139-I198 VanDerWaalsContact O-CD1 3.23Å; F139-I198 WeakPolarHBondContact O-CD1 2.95Å; Q142-I198 HydrophobicContact CB-CD1 3.88Å; Q142-I198 HydrophobicContact CB-CG1 4.49Å; Q142-I198 VanDerWaalsContact OE1-N 3.09Å; T143-I198 HydrophobicContact CG2-CD1 4.3Å; I198-S200 PolarHBondContact O-N 3.1Å
199	D	58.4	Low	59.7	Low	82 Å²	82	53.5 Å²	53.5	44%	0.439	31%	0.31	S	S	.	.			trans	-47.1	131.2	168.5	-71.6	-33.7	0	0	0	108.2	K109 E201 S202	K109-D199 IonicContact NZ-OD2 3.62Å; K109-D199 PolarHBondContact NZ-OD2 2.76Å; D199-E201 PolarHBondContact O-N 3.2Å; D199-S202 PolarHBondContact O-N 3.09Å
200	S	59.8	Low	62.3	Low	46 Å²	46	45.4 Å²	45.4	32%	0.322	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.3	-25.8	-174.2	-178.3	0	0	0	0	114.2	F148 I198 C203	F148-S200 VanDerWaalsContact CD1-OG 3.26Å; F148-S200 WeakPolarHBondContact CD1-OG 3.41Å; F148-S200 WeakPolarHBondContact CE1-OG 3.43Å; I198-S200 PolarHBondContact O-N 3.1Å; S200-C203 WeakPolarHBondContact O-CB 3.34Å
201	E	57	Low	64.6	Low	81 Å²	81	45.4 Å²	45.4	38%	0.379	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-26.8	178.9	-61.3	175.2	155.4	0	0	113.2	Y112 Q115 D199	Y112-E201 HydrophobicContact CD2-CB 3.87Å; Y112-E201 HydrophobicContact CE2-CB 3.88Å; Y112-E201 HydrophobicContact CE2-CG 4.36Å; Y112-E201 WeakPolarHBondContact CE2-OE2 3.35Å; Q115-E201 PolarHBondContact NE2-O 3.02Å; D199-E201 PolarHBondContact O-N 3.2Å
202	S	64.2	Low	67.3	Low	0 Å²	0	40.1 Å²	40.1	0%	0	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-6	179	-72.6	0	0	0	0	112.8	S108 Y112 D199 A205	S108-S202 PolarHBondContact O-OG 2.89Å; Y112-S202 PolarHBondContact N-OG 3.25Å; D199-S202 PolarHBondContact O-N 3.09Å; S202-A205 WeakPolarHBondContact O-CB 3.44Å
203	C	69.4	Low	70	Confident	12 Å²	12	42.9 Å²	42.9	8%	0.081	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	136.1	169.7	-169.3	0	0	0	0	110.4	Q142 F148 S200 A205	Q142-C203 PolarHBondContact O-SG 2.81Å; F148-C203 HydrophobicContact CB-CB 4.17Å; F148-C203 HydrophobicContact CD2-CB 4.26Å; F148-C203 WeakPolarHBondContact CD2-SG 3.21Å; F148-C203 HydrophobicContact CG-CB 4.27Å; S200-C203 WeakPolarHBondContact O-CB 3.34Å; C203-A205 VanDerWaalsContact C-N 3.29Å; C203-A205 PolarHBondContact O-N 2.97Å
204	G	77.7	Confident	72.8	Confident	1 Å²	1	41.8 Å²	41.8	1%	0.01	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.5	17.1	-178.3	0	0	0	0	0	115.3	Q142 T143 F206 I207 A208	Q142-G204 PolarHBondContact O-N 3.16Å; T143-G204 CarbonylContact O-C 3.58Å; T143-G204 VanDerWaalsContact O-C 3.3Å; T143-G204 VanDerWaalsContact O-CA 3.25Å; T143-G204 WeakPolarHBondContact O-CA 3.26Å; G204-F206 VanDerWaalsContact C-N 3.34Å; G204-F206 PolarHBondContact O-N 2.68Å; G204-I207 WeakPolarHBondContact O-CB 3.45Å; G204-I207 PolarHBondContact O-N 3.15Å; G204-I207 VanDerWaalsContact O-N 3.11Å; G204-A208 PolarHBondContact O-N 3.45Å
205	A	84.8	Confident	75.2	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-59.3	-37.7	-177.9	0	0	0	0	0	114	C111 M114 T143 S202 C203 A208 G209	C111-A205 HydrophobicContact CB-CB 3.6Å; M114-A205 HydrophobicContact CB-CB 4.49Å; M114-A205 HydrophobicContact CG-CB 4.43Å; T143-A205 PolarHBondContact O-N 3.16Å; S202-A205 WeakPolarHBondContact O-CB 3.44Å; C203-A205 VanDerWaalsContact C-N 3.29Å; C203-A205 PolarHBondContact O-N 2.97Å; A205-A208 PolarHBondContact O-N 3.25Å; A205-G209 PolarHBondContact O-N 3.33Å
206	F	89.4	Confident	77.5	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-71.9	-35.3	174.5	-79.1	-52.4	0	0	0	112.1	F107 L129 T143 L144 G204 A208 G209 L210 V225 L228 F235	F107-F206 HydrophobicContact CZ-CE2 4.08Å; F107-F206 HydrophobicContact CZ-CZ 4.39Å; L129-F206 HydrophobicContact CB-CE1 3.99Å; L129-F206 HydrophobicContact CB-CZ 3.85Å; L129-F206 HydrophobicContact CD1-CD1 4.46Å; L129-F206 HydrophobicContact CD1-CE1 3.8Å; L129-F206 HydrophobicContact CD1-CZ 4.04Å; L129-F206 HydrophobicContact CG-CZ 4.5Å; T143-F206 PolarHBondContact O-N 3.18Å; T143-F206 WeakPolarHBondContact OG1-CD2 3.27Å; L144-F206 HydrophobicContact CD2-CB 4.03Å; G204-F206 VanDerWaalsContact C-N 3.34Å; G204-F206 PolarHBondContact O-N 2.68Å; F206-A208 VanDerWaalsContact C-N 3.27Å; F206-A208 PolarHBondContact O-N 3Å; F206-G209 PolarHBondContact O-N 2.72Å; F206-L210 WeakPolarHBondContact O-CB 3.32Å; F206-L210 VanDerWaalsContact O-CG 3.24Å; F206-L210 WeakPolarHBondContact O-CG 3.34Å; F206-L210 PolarHBondContact O-N 2.88Å; F206-V225 HydrophobicContact CB-CG2 4.03Å; F206-V225 HydrophobicContact CD1-CG2 3.44Å; F206-V225 VanDerWaalsContact CD1-CG2 3.44Å; F206-V225 HydrophobicContact CD2-CG2 4.06Å; F206-V225 HydrophobicContact CE1-CG2 3.86Å; F206-V225 HydrophobicContact CE2-CG2 4.43Å; F206-V225 HydrophobicContact CG-CG2 3.59Å; F206-V225 HydrophobicContact CZ-CG2 4.35Å; F206-L228 HydrophobicContact CE2-CD1 3.72Å; F206-L228 HydrophobicContact CZ-CD1 3.44Å; F206-L228 VanDerWaalsContact CZ-CD1 3.44Å; F206-F235 HydrophobicContact CD2-CZ 4.19Å; F206-F235 HydrophobicContact CE2-CZ 4.19Å
207	I	87.7	Confident	79.6	Confident	1 Å²	1	37.3 Å²	37.3	1%	0.005	19%	0.192	C	C	.	.	H	α-helix	trans	-62.2	-41.6	173.3	-55.2	176	0	0	0	109.7	L144 K146 R149 G204 G209 L210 E211 F242	L144-I207 WeakPolarHBondContact O-CD1 3.36Å; K146-I207 HydrophobicContact CB-CD1 3.78Å; K146-I207 HydrophobicContact CG-CD1 4.32Å; R149-I207 PolarHBondContact NH1-O 3.49Å; G204-I207 WeakPolarHBondContact O-CB 3.45Å; G204-I207 PolarHBondContact O-N 3.15Å; G204-I207 VanDerWaalsContact O-N 3.11Å; I207-G209 VanDerWaalsContact C-N 3.33Å; I207-G209 PolarHBondContact O-N 3.39Å; I207-L210 PolarHBondContact O-N 3.16Å; I207-E211 HydrophobicContact CG2-CG 4.17Å; I207-E211 VanDerWaalsContact O-CB 3.32Å; I207-E211 WeakPolarHBondContact O-CB 3.05Å; I207-E211 WeakPolarHBondContact O-CG 3.5Å; I207-E211 PolarHBondContact O-N 2.74Å; I207-F242 HydrophobicContact CD1-CE1 3.78Å; I207-F242 HydrophobicContact CD1-CZ 4.03Å; I207-F242 HydrophobicContact CG1-CD1 4.31Å; I207-F242 HydrophobicContact CG1-CE1 3.92Å; I207-F242 HydrophobicContact CG1-CZ 4.36Å
208	A	86.6	Confident	81.6	Confident	13 Å²	13	34.9 Å²	34.9	11%	0.107	18%	0.178	C	C	.	.	H	α-helix	trans	-60.5	-42.3	175	0	0	0	0	0	112.3	G204 A205 F206 D212	G204-A208 PolarHBondContact O-N 3.45Å; A205-A208 PolarHBondContact O-N 3.25Å; F206-A208 VanDerWaalsContact C-N 3.27Å; F206-A208 PolarHBondContact O-N 3Å; A208-D212 PolarHBondContact O-N 3.34Å
209	G	89.9	Confident	83.4	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-70.6	-36.1	177	0	0	0	0	0	114.6	A205 F206 I207 D212 R218 S221	A205-G209 PolarHBondContact O-N 3.33Å; F206-G209 PolarHBondContact O-N 2.72Å; I207-G209 VanDerWaalsContact C-N 3.33Å; I207-G209 PolarHBondContact O-N 3.39Å; G209-D212 WeakPolarHBondContact O-CB 3.37Å; G209-R218 WeakPolarHBondContact O-CA 3.39Å; G209-S221 WeakPolarHBondContact CA-OG 3.12Å; G209-S221 PolarHBondContact O-OG 3.34Å
210	L	92	Very high	85.1	Confident	5 Å²	5	31.8 Å²	31.8	3%	0.026	16%	0.162	C	C	.	.	H	α-helix	trans	-72.5	-37.4	177	-69.9	174.6	0	0	0	111.8	F206 I207 D212 R218 I222 F242 M246	F206-L210 WeakPolarHBondContact O-CB 3.32Å; F206-L210 VanDerWaalsContact O-CG 3.24Å; F206-L210 WeakPolarHBondContact O-CG 3.34Å; F206-L210 PolarHBondContact O-N 2.88Å; I207-L210 PolarHBondContact O-N 3.16Å; L210-D212 VanDerWaalsContact C-N 3.31Å; L210-R218 WeakPolarHBondContact O-CG 3.49Å; L210-I222 HydrophobicContact CD2-CG1 3.58Å; L210-F242 HydrophobicContact CD1-CB 3.95Å; L210-M246 HydrophobicContact CB-SD 4.09Å; L210-M246 HydrophobicContact CD2-CG 4.33Å; L210-M246 HydrophobicContact CD2-SD 4.44Å
211	E	89.6	Confident	86.7	Confident	95 Å²	95	29.6 Å²	29.6	44%	0.444	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.5	17.6	176.7	-61	179.3	174	0	0	112.5	K146 R149 I207	K146-E211 IonicContact NZ-OE1 3.72Å; K146-E211 PolarHBondContact NZ-OE1 3.42Å; K146-E211 VanDerWaalsContact NZ-OE1 3.16Å; R149-E211 IonicContact CZ-OE2 3.92Å; R149-E211 IonicContact NH1-OE2 3.12Å; R149-E211 PolarHBondContact NH1-OE2 2.7Å; I207-E211 HydrophobicContact CG2-CG 4.17Å; I207-E211 VanDerWaalsContact O-CB 3.32Å; I207-E211 WeakPolarHBondContact O-CB 3.05Å; I207-E211 WeakPolarHBondContact O-CG 3.5Å; I207-E211 PolarHBondContact O-N 2.74Å
212	D	92.2	Very high	88.5	Confident	13 Å²	13	25.8 Å²	25.8	7%	0.07	13%	0.129	C	C	.	.			trans	-65.1	160.4	-177.7	-161.1	-77.6	0	0	0	111.7	R122 A208 G209 L210 H214 V217 R218	R122-D212 IonicContact CZ-OD1 2.81Å; R122-D212 IonicContact CZ-OD2 3.1Å; R122-D212 IonicContact NE-OD1 3.29Å; R122-D212 IonicContact NE-OD2 2.98Å; R122-D212 PolarHBondContact NE-OD2 2.91Å; R122-D212 IonicContact NH2-OD1 2.79Å; R122-D212 PolarHBondContact NH2-OD1 2.69Å; R122-D212 IonicContact NH2-OD2 3.23Å; R122-D212 PolarHBondContact NH2-OD2 2.98Å; A208-D212 PolarHBondContact O-N 3.34Å; G209-D212 WeakPolarHBondContact O-CB 3.37Å; L210-D212 VanDerWaalsContact C-N 3.31Å; D212-H214 IonicContact OD1-CD2 3.4Å; D212-H214 PolarHBondContact OD1-N 2.64Å; D212-V217 HydrophobicContact CB-CB 3.88Å; D212-V217 HydrophobicContact CB-CG1 3.81Å; D212-V217 WeakPolarHBondContact OD2-CG1 3.49Å; D212-R218 HydrophobicContact CB-CG 4.32Å; D212-R218 PolarHBondContact O-NE 2.94Å; D212-R218 PolarHBondContact O-NH2 3.16Å
213	E	89.9	Confident	89.9	Confident	139 Å²	139	28.8 Å²	28.8	65%	0.65	15%	0.145	S	C	*	.	S	Bend	trans	-76.6	-23	174.5	62.9	-171.8	149.2	0	0	112.9	R122	R122-E213 IonicContact NH2-OE1 2.76Å; R122-E213 PolarHBondContact NH2-OE1 3.26Å; R122-E213 VanDerWaalsContact NH2-OE1 3.12Å
214	H	92.3	Very high	91	Very high	71 Å²	71	28.4 Å²	28.4	33%	0.329	14%	0.142	S	C	.	.	S	Bend	trans	-103.6	127.4	-176.1	-67	-63.6	0	0	0	112.8	V119 R122 D212 D216 V217 R218	V119-H214 HydrophobicContact CG1-CB 3.81Å; V119-H214 VanDerWaalsContact CG1-CD2 3.44Å; V119-H214 WeakPolarHBondContact CG1-CD2 3.44Å; V119-H214 WeakPolarHBondContact CG2-CD2 3.46Å; V119-H214 WeakPolarHBondContact CG2-NE2 2.98Å; R122-H214 PolarHBondContact NH2-CD2 2.91Å; D212-H214 IonicContact OD1-CD2 3.4Å; D212-H214 PolarHBondContact OD1-N 2.64Å; H214-D216 VanDerWaalsContact C-N 3.26Å; H214-D216 PolarHBondContact O-N 3.22Å; H214-V217 HydrophobicContact CB-CG2 4.15Å; H214-V217 PolarHBondContact O-N 3.03Å; H214-V217 VanDerWaalsContact O-N 3.08Å; H214-R218 PolarHBondContact O-N 2.88Å; H214-R218 VanDerWaalsContact O-N 3.13Å
215	M	93.2	Very high	91.7	Very high	51 Å²	51	28.4 Å²	28.4	25%	0.251	14%	0.142	S	C	.	.	H	α-helix	trans	-48.3	-44.7	175.4	-178.3	-179.9	75.8	0	0	113.3	V217 R218 N219 I251 E253 V254	M215-V217 VanDerWaalsContact C-N 3.28Å; M215-V217 PolarHBondContact O-N 3.49Å; M215-R218 PolarHBondContact O-N 3.44Å; M215-N219 WeakPolarHBondContact O-CB 3.28Å; M215-N219 PolarHBondContact O-N 3.29Å; M215-I251 HydrophobicContact CB-CD1 3.8Å; M215-I251 HydrophobicContact CG-CD1 4.18Å; M215-I251 HydrophobicContact CG-CG2 4.31Å; M215-I251 HydrophobicContact SD-CD1 4.45Å; M215-I251 HydrophobicContact SD-CG2 3.7Å; M215-E253 HydrophobicContact SD-CB 4.05Å; M215-E253 HydrophobicContact SD-CG 4.34Å; M215-V254 HydrophobicContact CB-CG2 4.39Å; M215-V254 HydrophobicContact CG-CG2 3.63Å
216	D	93.7	Very high	92	Very high	94 Å²	94	28.4 Å²	28.4	50%	0.503	14%	0.142	S	C	.	.	H	α-helix	trans	-62.9	-36.7	-176.3	-61.4	-28.7	0	0	0	112	V123 H214 A220	V123-D216 HydrophobicContact CG2-CB 3.7Å; H214-D216 VanDerWaalsContact C-N 3.26Å; H214-D216 PolarHBondContact O-N 3.22Å; D216-A220 VanDerWaalsContact O-CB 3.27Å; D216-A220 WeakPolarHBondContact O-CB 3.43Å; D216-A220 PolarHBondContact O-N 2.78Å
217	V	93.4	Very high	92	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-72.3	-42.6	177.2	-176.1	0	0	0	0	109.9	M114 V119 R122 V123 D212 H214 M215 A220 S221	M114-V217 HydrophobicContact CE-CG1 4.43Å; V119-V217 HydrophobicContact CG1-CG2 3.91Å; R122-V217 HydrophobicContact CB-CG1 4.06Å; R122-V217 HydrophobicContact CB-CG2 3.8Å; V123-V217 HydrophobicContact CG2-CB 4.43Å; V123-V217 HydrophobicContact CG2-CG2 3.59Å; D212-V217 HydrophobicContact CB-CB 3.88Å; D212-V217 HydrophobicContact CB-CG1 3.81Å; D212-V217 WeakPolarHBondContact OD2-CG1 3.49Å; H214-V217 HydrophobicContact CB-CG2 4.15Å; H214-V217 PolarHBondContact O-N 3.03Å; H214-V217 VanDerWaalsContact O-N 3.08Å; M215-V217 VanDerWaalsContact C-N 3.28Å; M215-V217 PolarHBondContact O-N 3.49Å; V217-A220 PolarHBondContact O-N 3Å; V217-S221 VanDerWaalsContact O-CB 3.28Å; V217-S221 WeakPolarHBondContact O-CB 3.49Å; V217-S221 PolarHBondContact O-N 3.05Å; V217-S221 PolarHBondContact O-OG 3.25Å
218	R	95.2	Very high	92.1	Very high	22 Å²	22	30.2 Å²	30.2	8%	0.083	16%	0.155	C	C	.	.	H	α-helix	trans	-57.4	-52.1	174.9	-62.7	-171.3	-170.2	158.8	9	110.7	G209 L210 D212 H214 M215 A220 S221 I222 D249 E250 V254	G209-R218 WeakPolarHBondContact O-CA 3.39Å; L210-R218 WeakPolarHBondContact O-CG 3.49Å; D212-R218 HydrophobicContact CB-CG 4.32Å; D212-R218 PolarHBondContact O-NE 2.94Å; D212-R218 PolarHBondContact O-NH2 3.16Å; H214-R218 PolarHBondContact O-N 2.88Å; H214-R218 VanDerWaalsContact O-N 3.13Å; M215-R218 PolarHBondContact O-N 3.44Å; R218-A220 PolarHBondContact O-N 3.37Å; R218-S221 WeakPolarHBondContact O-CB 3.44Å; R218-S221 PolarHBondContact O-N 3.04Å; R218-S221 VanDerWaalsContact O-N 3.16Å; R218-I222 VanDerWaalsContact O-CG1 3.27Å; R218-I222 WeakPolarHBondContact O-CG1 3.3Å; R218-I222 PolarHBondContact O-N 3.45Å; R218-D249 WeakPolarHBondContact CD-OD2 3.48Å; R218-D249 IonicContact CZ-OD2 2.95Å; R218-D249 IonicContact NE-OD2 3.35Å; R218-D249 VanDerWaalsContact NH1-CG 3.25Å; R218-D249 IonicContact NH1-OD1 2.97Å; R218-D249 PolarHBondContact NH1-OD1 2.89Å; R218-D249 IonicContact NH1-OD2 3.23Å; R218-D249 PolarHBondContact NH1-OD2 3.36Å; R218-E250 IonicContact CZ-OE1 2.65Å; R218-E250 IonicContact NH1-OE1 3.73Å; R218-E250 PolarHBondContact NH1-OE1 3.39Å; R218-E250 IonicContact NH2-OE1 3.66Å; R218-E250 PolarHBondContact NH2-OE1 3.03Å; R218-V254 HydrophobicContact CB-CG1 4.1Å; R218-V254 HydrophobicContact CB-CG2 4.36Å
219	N	95	Very high	92.3	Very high	18 Å²	18	29.8 Å²	29.8	10%	0.096	15%	0.151	C	C	.	.	H	α-helix	trans	-61	-47.4	180	-80.9	-30.5	0	0	0	112.4	M215 S221 I222 D223 N257	M215-N219 WeakPolarHBondContact O-CB 3.28Å; M215-N219 PolarHBondContact O-N 3.29Å; N219-S221 VanDerWaalsContact C-N 3.25Å; N219-S221 PolarHBondContact O-N 3.25Å; N219-I222 PolarHBondContact O-N 3.38Å; N219-D223 VanDerWaalsContact O-CG 3.25Å; N219-D223 PolarHBondContact O-N 3.43Å; N219-N257 WeakPolarHBondContact OD1-CB 3.32Å; N219-N257 PolarHBondContact OD1-ND2 3.04Å
220	A	93.8	Very high	92.1	Very high	6 Å²	6	33.2 Å²	33.2	5%	0.05	17%	0.168	C	C	.	.	H	α-helix	trans	-61.5	-34.7	176.1	0	0	0	0	0	112.5	V123 A126 K127 D216 V217 R218 S224	V123-A220 HydrophobicContact CG1-CB 4.29Å; A126-A220 HydrophobicContact CB-CB 3.66Å; K127-A220 HydrophobicContact CG-CB 4.07Å; D216-A220 VanDerWaalsContact O-CB 3.27Å; D216-A220 WeakPolarHBondContact O-CB 3.43Å; D216-A220 PolarHBondContact O-N 2.78Å; V217-A220 PolarHBondContact O-N 3Å; R218-A220 PolarHBondContact O-N 3.37Å; A220-S224 VanDerWaalsContact O-CB 3.32Å; A220-S224 WeakPolarHBondContact O-CB 3.26Å; A220-S224 PolarHBondContact O-N 3.24Å; A220-S224 VanDerWaalsContact O-N 3.15Å; A220-S224 PolarHBondContact O-OG 3.32Å
221	S	94.4	Very high	91.8	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-68.8	-44.3	176	-59.7	0	0	0	0	111.6	M114 G209 V217 R218 N219 D223 S224 V225	M114-S221 WeakPolarHBondContact CE-OG 3.37Å; G209-S221 WeakPolarHBondContact CA-OG 3.12Å; G209-S221 PolarHBondContact O-OG 3.34Å; V217-S221 VanDerWaalsContact O-CB 3.28Å; V217-S221 WeakPolarHBondContact O-CB 3.49Å; V217-S221 PolarHBondContact O-N 3.05Å; V217-S221 PolarHBondContact O-OG 3.25Å; R218-S221 WeakPolarHBondContact O-CB 3.44Å; R218-S221 PolarHBondContact O-N 3.04Å; R218-S221 VanDerWaalsContact O-N 3.16Å; N219-S221 VanDerWaalsContact C-N 3.25Å; N219-S221 PolarHBondContact O-N 3.25Å; S221-D223 PolarHBondContact O-N 3.09Å; S221-S224 PolarHBondContact O-N 3.37Å; S221-V225 VanDerWaalsContact O-CG2 3.3Å; S221-V225 WeakPolarHBondContact O-CG2 3.2Å; S221-V225 PolarHBondContact O-N 3.36Å
222	I	94.7	Very high	91.5	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-59.8	-47.2	175.9	-63.1	163.7	0	0	0	110.5	L210 R218 N219 S224 V225 S226 L243 M246 V254 A258 H261	L210-I222 HydrophobicContact CD2-CG1 3.58Å; R218-I222 VanDerWaalsContact O-CG1 3.27Å; R218-I222 WeakPolarHBondContact O-CG1 3.3Å; R218-I222 PolarHBondContact O-N 3.45Å; N219-I222 PolarHBondContact O-N 3.38Å; I222-S224 PolarHBondContact O-N 3.07Å; I222-V225 PolarHBondContact O-N 3.21Å; I222-S226 WeakPolarHBondContact O-CB 3.46Å; I222-S226 PolarHBondContact O-N 3.44Å; I222-L243 HydrophobicContact CG2-CD2 4.06Å; I222-M246 HydrophobicContact CD1-CG 4.49Å; I222-V254 HydrophobicContact CD1-CG1 3.78Å; I222-A258 HydrophobicContact CD1-CB 4.1Å; I222-H261 HydrophobicContact CG2-CB 4.06Å; I222-H261 VanDerWaalsContact CG2-CD2 3.45Å; I222-H261 WeakPolarHBondContact CG2-CD2 3.24Å
223	D	93.8	Very high	91.2	Very high	64 Å²	64	41.1 Å²	41.1	34%	0.342	20%	0.202	S	C	.	.	H	α-helix	trans	-57.6	-39.3	178.5	-67.9	0.5	0	0	0	111.5	N219 S221 S227 N257 H261	N219-D223 VanDerWaalsContact O-CG 3.25Å; N219-D223 PolarHBondContact O-N 3.43Å; S221-D223 PolarHBondContact O-N 3.09Å; D223-S227 WeakPolarHBondContact O-CB 3.43Å; D223-S227 PolarHBondContact O-N 3.4Å; D223-S227 PolarHBondContact O-OG 3.46Å; D223-N257 PolarHBondContact OD1-ND2 2.85Å; D223-H261 IonicContact OD1-CD2 3.04Å; D223-H261 PolarHBondContact OD1-CD2 2.86Å; D223-H261 IonicContact OD1-CE1 3.15Å; D223-H261 IonicContact OD1-NE2 3.82Å; D223-H261 PolarHBondContact OD1-NE2 2.57Å
224	S	92.1	Very high	91	Very high	3 Å²	3	40.3 Å²	40.3	2%	0.021	20%	0.199	C	C	.	.	H	α-helix	trans	-75.9	-45.2	-176.3	-59.6	0	0	0	0	112.3	A126 A220 S221 I222 S226 S227 L228	A126-S224 VanDerWaalsContact C-OG 3.3Å; A126-S224 WeakPolarHBondContact O-CB 3.4Å; A126-S224 PolarHBondContact O-OG 2.88Å; A220-S224 VanDerWaalsContact O-CB 3.32Å; A220-S224 WeakPolarHBondContact O-CB 3.26Å; A220-S224 PolarHBondContact O-N 3.24Å; A220-S224 VanDerWaalsContact O-N 3.15Å; A220-S224 PolarHBondContact O-OG 3.32Å; S221-S224 PolarHBondContact O-N 3.37Å; I222-S224 PolarHBondContact O-N 3.07Å; S224-S226 VanDerWaalsContact C-N 3.32Å; S224-S226 PolarHBondContact O-N 3.38Å; S224-S227 PolarHBondContact O-N 3.47Å; S224-L228 WeakPolarHBondContact O-CG 3.23Å; S224-L228 PolarHBondContact O-N 3.42Å
225	V	92.6	Very high	90.8	Very high	1 Å²	1	37 Å²	37	1%	0.006	18%	0.183	C	C	.	.	H	α-helix	trans	-59.1	-45.4	173.2	171.7	0	0	0	0	110.2	F206 S221 I222 S227 L228 A229 F235 C239 L243	F206-V225 HydrophobicContact CB-CG2 4.03Å; F206-V225 HydrophobicContact CD1-CG2 3.44Å; F206-V225 VanDerWaalsContact CD1-CG2 3.44Å; F206-V225 HydrophobicContact CD2-CG2 4.06Å; F206-V225 HydrophobicContact CE1-CG2 3.86Å; F206-V225 HydrophobicContact CE2-CG2 4.43Å; F206-V225 HydrophobicContact CG-CG2 3.59Å; F206-V225 HydrophobicContact CZ-CG2 4.35Å; S221-V225 VanDerWaalsContact O-CG2 3.3Å; S221-V225 WeakPolarHBondContact O-CG2 3.2Å; S221-V225 PolarHBondContact O-N 3.36Å; I222-V225 PolarHBondContact O-N 3.21Å; V225-S227 VanDerWaalsContact C-N 3.33Å; V225-S227 PolarHBondContact O-N 3.42Å; V225-L228 PolarHBondContact O-N 3.01Å; V225-A229 WeakPolarHBondContact O-CB 3.33Å; V225-A229 PolarHBondContact O-N 3.33Å; V225-F235 HydrophobicContact CG1-CE1 4.27Å; V225-C239 HydrophobicContact CG1-CB 3.78Å; V225-L243 HydrophobicContact CG1-CD1 4.36Å; V225-L243 HydrophobicContact CG1-CD2 4.35Å; V225-L243 HydrophobicContact CG1-CG 4.44Å
226	S	90.8	Very high	90.5	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-61.8	-41.3	177.8	-171.7	0	0	0	0	112.3	I222 S224 A229 M230	I222-S226 WeakPolarHBondContact O-CB 3.46Å; I222-S226 PolarHBondContact O-N 3.44Å; S224-S226 VanDerWaalsContact C-N 3.32Å; S224-S226 PolarHBondContact O-N 3.38Å; S226-A229 PolarHBondContact O-N 3.31Å; S226-M230 WeakPolarHBondContact O-CG 3.42Å; S226-M230 PolarHBondContact O-N 3.36Å; S226-M230 VanDerWaalsContact O-N 3.09Å
227	S	90.1	Very high	90.3	Very high	34 Å²	34	33.5 Å²	33.5	24%	0.238	16%	0.163	C	C	.	.	H	α-helix	trans	-62.3	-43.8	177.9	-63.4	0	0	0	0	112.3	D223 S224 V225	D223-S227 WeakPolarHBondContact O-CB 3.43Å; D223-S227 PolarHBondContact O-N 3.4Å; D223-S227 PolarHBondContact O-OG 3.46Å; S224-S227 PolarHBondContact O-N 3.47Å; V225-S227 VanDerWaalsContact C-N 3.33Å; V225-S227 PolarHBondContact O-N 3.42Å
228	L	88.8	Confident	90	Very high	6 Å²	6	38.1 Å²	38.1	3%	0.031	18%	0.183	C	C	.	.	H	α-helix	trans	-71.8	-37.7	177.2	-67	169.3	0	0	0	112.5	F107 F132 L140 F206 S224 V225 M230 E231 N232 F235	F107-L228 HydrophobicContact CE2-CD1 4.17Å; F107-L228 HydrophobicContact CZ-CD1 4.45Å; F132-L228 WeakPolarHBondContact O-CD2 3.5Å; L140-L228 HydrophobicContact CD2-CD1 4.03Å; L140-L228 HydrophobicContact CD2-CD2 4.43Å; F206-L228 HydrophobicContact CE2-CD1 3.72Å; F206-L228 HydrophobicContact CZ-CD1 3.44Å; F206-L228 VanDerWaalsContact CZ-CD1 3.44Å; S224-L228 WeakPolarHBondContact O-CG 3.23Å; S224-L228 PolarHBondContact O-N 3.42Å; V225-L228 PolarHBondContact O-N 3.01Å; L228-M230 VanDerWaalsContact C-N 3.28Å; L228-M230 PolarHBondContact O-N 3.32Å; L228-E231 PolarHBondContact O-N 3.06Å; L228-N232 PolarHBondContact O-N 3.2Å; L228-F235 HydrophobicContact CB-CD1 4.33Å; L228-F235 HydrophobicContact CB-CE1 3.95Å
229	A	90.4	Very high	89.8	Confident	3 Å²	3	37.1 Å²	37.1	3%	0.025	18%	0.18	C	C	.	.	H	α-helix	trans	-65.8	-27.8	177.8	0	0	0	0	0	113.2	V225 S226 E231 F235 A236 L265	V225-A229 WeakPolarHBondContact O-CB 3.33Å; V225-A229 PolarHBondContact O-N 3.33Å; S226-A229 PolarHBondContact O-N 3.31Å; A229-E231 PolarHBondContact O-N 3.38Å; A229-F235 HydrophobicContact CB-CD1 4.09Å; A229-F235 HydrophobicContact CB-CE1 4.4Å; A229-A236 HydrophobicContact CB-CB 3.94Å; A229-A236 WeakPolarHBondContact O-CB 3.35Å; A229-L265 HydrophobicContact CB-CD1 3.92Å; A229-L265 HydrophobicContact CB-CD2 3.57Å; A229-L265 HydrophobicContact CB-CG 4.41Å
230	M	87.1	Confident	89.5	Confident	72 Å²	72	36.4 Å²	36.4	36%	0.355	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-21.5	172.4	-74.5	-175.7	-68.4	0	0	113.1	S226 L228 L265	S226-M230 WeakPolarHBondContact O-CG 3.42Å; S226-M230 PolarHBondContact O-N 3.36Å; S226-M230 VanDerWaalsContact O-N 3.09Å; L228-M230 VanDerWaalsContact C-N 3.28Å; L228-M230 PolarHBondContact O-N 3.32Å; M230-L265 HydrophobicContact CG-CD2 3.89Å
231	E	84.5	Confident	89.2	Confident	105 Å²	105	39.5 Å²	39.5	49%	0.491	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.9	-35.6	-177.7	-54.5	-160.3	154	0	0	113	R133 L228 A229	R133-E231 WeakPolarHBondContact CD-OE1 3.45Å; R133-E231 WeakPolarHBondContact CD-OE2 3.25Å; R133-E231 IonicContact CZ-OE1 2.95Å; R133-E231 IonicContact NE-OE1 2.83Å; R133-E231 PolarHBondContact NE-OE1 2.89Å; R133-E231 IonicContact NE-OE2 2.64Å; R133-E231 IonicContact NH2-OE1 3.28Å; L228-E231 PolarHBondContact O-N 3.06Å; A229-E231 PolarHBondContact O-N 3.38Å
232	N	84	Confident	89	Confident	19 Å²	19	41.5 Å²	41.5	10%	0.102	20%	0.201	C	C	.	.			trans	-117.8	115.6	179.6	-179.8	-17.6	0	0	0	111.3	D137 L228 E234 F235 A236	D137-N232 PolarHBondContact OD1-ND2 3.23Å; L228-N232 PolarHBondContact O-N 3.2Å; N232-E234 PolarHBondContact OD1-N 3.21Å; N232-F235 HydrophobicContact CB-CB 3.92Å; N232-F235 PolarHBondContact OD1-N 2.87Å; N232-F235 VanDerWaalsContact OD1-N 3.14Å; N232-A236 WeakPolarHBondContact O-CB 3.34Å; N232-A236 PolarHBondContact O-N 3.2Å
233	K	84.9	Confident	88.9	Confident	155 Å²	155	41.5 Å²	41.5	67%	0.674	20%	0.201	S	C	*	.	H	α-helix	trans	-67.1	-36.9	179.8	-67.3	-177.8	-179.8	175.1	0	114.2	A236 Q237	K233-A236 WeakPolarHBondContact O-CB 3.21Å; K233-A236 PolarHBondContact O-N 3.39Å; K233-Q237 PolarHBondContact O-N 3.47Å; K233-Q237 VanDerWaalsContact O-N 3.13Å
234	E	85.7	Confident	88.7	Confident	123 Å²	123	38.6 Å²	38.6	58%	0.575	19%	0.185	S	C	*	.	H	α-helix	trans	-69.6	-42.3	-179.8	-64	-174.7	172.7	0	0	110.1	N232 A236 Q237 K238	N232-E234 PolarHBondContact OD1-N 3.21Å; E234-A236 VanDerWaalsContact C-N 3.32Å; E234-A236 PolarHBondContact O-N 3.35Å; E234-Q237 PolarHBondContact O-N 3.13Å; E234-K238 PolarHBondContact O-N 2.75Å
235	F	88.1	Confident	88.5	Confident	0 Å²	0	43 Å²	43	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-61.5	-40.8	171.4	-175.6	-104.9	0	0	0	111.8	L140 L144 F206 V225 L228 A229 N232 Q237 K238 C239	L140-F235 HydrophobicContact CB-CD2 3.64Å; L140-F235 HydrophobicContact CB-CE2 3.87Å; L140-F235 HydrophobicContact CB-CG 4.27Å; L140-F235 WeakPolarHBondContact O-CE2 3.27Å; L144-F235 HydrophobicContact CD1-CD2 3.73Å; L144-F235 HydrophobicContact CD1-CE2 3.24Å; L144-F235 HydrophobicContact CD1-CZ 3.76Å; L144-F235 HydrophobicContact CD2-CE2 4.49Å; L144-F235 HydrophobicContact CD2-CZ 4.48Å; L144-F235 HydrophobicContact CG-CE2 3.63Å; L144-F235 HydrophobicContact CG-CZ 4.09Å; F206-F235 HydrophobicContact CD2-CZ 4.19Å; F206-F235 HydrophobicContact CE2-CZ 4.19Å; V225-F235 HydrophobicContact CG1-CE1 4.27Å; L228-F235 HydrophobicContact CB-CD1 4.33Å; L228-F235 HydrophobicContact CB-CE1 3.95Å; A229-F235 HydrophobicContact CB-CD1 4.09Å; A229-F235 HydrophobicContact CB-CE1 4.4Å; N232-F235 HydrophobicContact CB-CB 3.92Å; N232-F235 PolarHBondContact OD1-N 2.87Å; N232-F235 VanDerWaalsContact OD1-N 3.14Å; F235-Q237 VanDerWaalsContact C-N 3.3Å; F235-Q237 PolarHBondContact O-N 2.73Å; F235-K238 PolarHBondContact O-N 3.21Å; F235-C239 HydrophobicContact CE1-CB 4.46Å; F235-C239 WeakPolarHBondContact O-CB 3.48Å; F235-C239 PolarHBondContact O-N 3.17Å
236	A	88.3	Confident	88.4	Confident	1 Å²	1	43.8 Å²	43.8	1%	0.008	21%	0.212	C	C	.	.	H	α-helix	trans	-60.4	-36.5	177.4	0	0	0	0	0	113.6	A229 N232 K233 E234 C239 V269	A229-A236 HydrophobicContact CB-CB 3.94Å; A229-A236 WeakPolarHBondContact O-CB 3.35Å; N232-A236 WeakPolarHBondContact O-CB 3.34Å; N232-A236 PolarHBondContact O-N 3.2Å; K233-A236 WeakPolarHBondContact O-CB 3.21Å; K233-A236 PolarHBondContact O-N 3.39Å; E234-A236 VanDerWaalsContact C-N 3.32Å; E234-A236 PolarHBondContact O-N 3.35Å; A236-C239 PolarHBondContact O-SG 3.14Å; A236-V269 HydrophobicContact CB-CG2 3.68Å
237	Q	89.1	Confident	88.4	Confident	71 Å²	71	44 Å²	44	33%	0.332	21%	0.213	S	C	.	.	H	α-helix	trans	-70.1	-40.5	176.4	-171.2	65.8	53.9	0	0	111.4	K233 E234 F235 L240 V269 T270	K233-Q237 PolarHBondContact O-N 3.47Å; K233-Q237 VanDerWaalsContact O-N 3.13Å; E234-Q237 PolarHBondContact O-N 3.13Å; F235-Q237 VanDerWaalsContact C-N 3.3Å; F235-Q237 PolarHBondContact O-N 2.73Å; Q237-L240 WeakPolarHBondContact O-CB 3.21Å; Q237-V269 VanDerWaalsContact OE1-CG1 3.32Å; Q237-T270 PolarHBondContact NE2-O 3.45Å; Q237-T270 PolarHBondContact OE1-O 3.29Å; Q237-T270 PolarHBondContact OE1-OG1 2.81Å
238	K	86.9	Confident	88.2	Confident	97 Å²	97	47.1 Å²	47.1	42%	0.422	23%	0.227	S	C	.	.	H	α-helix	trans	-72.2	-33.1	179	-72.3	176.3	173.8	172.7	0	113.1	E141 L144 E234 F235 L240 F242	E141-K238 HydrophobicContact CG-CD 3.96Å; E141-K238 IonicContact OE1-NZ 2.96Å; E141-K238 PolarHBondContact OE1-NZ 2.75Å; E141-K238 IonicContact OE2-NZ 3.07Å; E141-K238 PolarHBondContact OE2-NZ 3.29Å; L144-K238 HydrophobicContact CD1-CB 4.22Å; E234-K238 PolarHBondContact O-N 2.75Å; F235-K238 PolarHBondContact O-N 3.21Å; K238-L240 PolarHBondContact O-N 2.86Å; K238-F242 WeakPolarHBondContact O-CD2 3.39Å
239	C	89.8	Confident	88.4	Confident	1 Å²	1	47.7 Å²	47.7	1%	0.007	23%	0.23	C	C	.	.	H	α-helix	trans	-75	-15.1	179.4	79.5	0	0	0	0	113.3	L144 V225 F235 A236 D241 F242 L243	L144-C239 HydrophobicContact CD1-CB 3.87Å; V225-C239 HydrophobicContact CG1-CB 3.78Å; F235-C239 HydrophobicContact CE1-CB 4.46Å; F235-C239 WeakPolarHBondContact O-CB 3.48Å; F235-C239 PolarHBondContact O-N 3.17Å; A236-C239 PolarHBondContact O-SG 3.14Å; C239-D241 PolarHBondContact O-N 2.97Å; C239-F242 PolarHBondContact O-N 2.73Å; C239-L243 WeakPolarHBondContact O-CG 3.32Å; C239-L243 PolarHBondContact O-N 3.03Å
240	L	90.1	Very high	88.3	Confident	3 Å²	3	54.9 Å²	54.9	2%	0.016	26%	0.263	C	S	.	.	H	α-helix	trans	-55.5	-49.2	-175.9	178.6	64.6	0	0	0	112	Q237 K238 F242 L243 V244 L262 V269 Q275	Q237-L240 WeakPolarHBondContact O-CB 3.21Å; K238-L240 PolarHBondContact O-N 2.86Å; L240-F242 VanDerWaalsContact C-N 3.35Å; L240-F242 PolarHBondContact O-N 3.49Å; L240-L243 PolarHBondContact O-N 2.64Å; L240-V244 HydrophobicContact CD1-CG2 3.93Å; L240-V244 HydrophobicContact CG-CG2 4.31Å; L240-V244 WeakPolarHBondContact O-CB 2.99Å; L240-V244 VanDerWaalsContact O-CG2 3.28Å; L240-V244 WeakPolarHBondContact O-CG2 3.45Å; L240-V244 PolarHBondContact O-N 2.84Å; L240-L262 HydrophobicContact CD1-CD1 3.41Å; L240-L262 VanDerWaalsContact CD1-CD1 3.41Å; L240-L262 HydrophobicContact CD1-CD2 4.49Å; L240-V269 HydrophobicContact CB-CG1 4.34Å; L240-V269 HydrophobicContact CD1-CG1 4.38Å; L240-V269 HydrophobicContact CD2-CG1 3.78Å; L240-V269 HydrophobicContact CG-CG1 4.39Å; L240-Q275 HydrophobicContact CD2-CB 4.27Å; L240-Q275 HydrophobicContact CD2-CG 3.82Å; L240-Q275 HydrophobicContact CG-CG 4.16Å
241	D	88	Confident	88.5	Confident	71 Å²	71	53.9 Å²	53.9	38%	0.38	26%	0.259	S	S	.	.	H	α-helix	trans	-60.7	-46	-176.3	-63.3	-30	0	0	0	110.9	C239 L243 V244 D245 Q275	C239-D241 PolarHBondContact O-N 2.97Å; D241-L243 PolarHBondContact O-N 3.01Å; D241-V244 PolarHBondContact O-N 3.19Å; D241-D245 PolarHBondContact O-N 2.87Å; D241-Q275 VanDerWaalsContact OD1-CG 3.24Å; D241-Q275 WeakPolarHBondContact OD1-CG 3.46Å; D241-Q275 PolarHBondContact OD1-NE2 3.24Å
242	F	89.6	Confident	88.7	Confident	43 Å²	43	53.3 Å²	53.3	19%	0.189	26%	0.259	C	S	.	.	H	α-helix	trans	-64.3	-39.2	178.3	-57.8	-76.4	0	0	0	112.9	L144 I207 L210 K238 C239 L240 D245 M246	L144-F242 HydrophobicContact CB-CE2 3.89Å; L144-F242 HydrophobicContact CB-CZ 4.42Å; L144-F242 HydrophobicContact CD1-CE2 4.48Å; L144-F242 HydrophobicContact CD2-CD2 3.97Å; L144-F242 HydrophobicContact CD2-CE2 4.17Å; L144-F242 HydrophobicContact CG-CE2 4.41Å; L144-F242 VanDerWaalsContact O-CZ 3.24Å; L144-F242 WeakPolarHBondContact O-CZ 3.44Å; I207-F242 HydrophobicContact CD1-CE1 3.78Å; I207-F242 HydrophobicContact CD1-CZ 4.03Å; I207-F242 HydrophobicContact CG1-CD1 4.31Å; I207-F242 HydrophobicContact CG1-CE1 3.92Å; I207-F242 HydrophobicContact CG1-CZ 4.36Å; L210-F242 HydrophobicContact CD1-CB 3.95Å; K238-F242 WeakPolarHBondContact O-CD2 3.39Å; C239-F242 PolarHBondContact O-N 2.73Å; L240-F242 VanDerWaalsContact C-N 3.35Å; L240-F242 PolarHBondContact O-N 3.49Å; F242-D245 PolarHBondContact O-N 3.01Å; F242-M246 WeakPolarHBondContact O-CG 3.32Å; F242-M246 PolarHBondContact O-N 2.85Å
243	L	91.4	Very high	88.9	Confident	0 Å²	0	58 Å²	58	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-71.7	-34.5	177.9	-71.3	177.7	0	0	0	112.6	I222 V225 C239 L240 D241 M246 F247 L265	I222-L243 HydrophobicContact CG2-CD2 4.06Å; V225-L243 HydrophobicContact CG1-CD1 4.36Å; V225-L243 HydrophobicContact CG1-CD2 4.35Å; V225-L243 HydrophobicContact CG1-CG 4.44Å; C239-L243 WeakPolarHBondContact O-CG 3.32Å; C239-L243 PolarHBondContact O-N 3.03Å; L240-L243 PolarHBondContact O-N 2.64Å; D241-L243 PolarHBondContact O-N 3.01Å; L243-M246 WeakPolarHBondContact O-CB 3.24Å; L243-M246 PolarHBondContact O-N 3.48Å; L243-F247 WeakPolarHBondContact O-CD1 3.46Å; L243-L265 HydrophobicContact CD1-CD1 3.49Å; L243-L265 VanDerWaalsContact CD1-CD1 3.49Å
244	V	89.6	Confident	89.3	Confident	2 Å²	2	50.6 Å²	50.6	1%	0.012	25%	0.248	C	C	.	.	H	α-helix	trans	-70.1	-35.7	175.6	171.2	0	0	0	0	110.6	L240 D241 M246 F247 L262 I279	L240-V244 HydrophobicContact CD1-CG2 3.93Å; L240-V244 HydrophobicContact CG-CG2 4.31Å; L240-V244 WeakPolarHBondContact O-CB 2.99Å; L240-V244 VanDerWaalsContact O-CG2 3.28Å; L240-V244 WeakPolarHBondContact O-CG2 3.45Å; L240-V244 PolarHBondContact O-N 2.84Å; D241-V244 PolarHBondContact O-N 3.19Å; V244-M246 PolarHBondContact O-N 3.22Å; V244-F247 VanDerWaalsContact O-CB 3.24Å; V244-F247 WeakPolarHBondContact O-CB 3.22Å; V244-F247 WeakPolarHBondContact O-CG 3.3Å; V244-F247 PolarHBondContact O-N 2.87Å; V244-L262 HydrophobicContact CG2-CD2 3.83Å; V244-I279 HydrophobicContact CG1-CG1 4.24Å; V244-I279 HydrophobicContact CG2-CD1 4.39Å; V244-I279 HydrophobicContact CG2-CG1 4.2Å
245	D	89.1	Confident	89.6	Confident	97 Å²	97	46.8 Å²	46.8	52%	0.519	23%	0.229	S	C	.	.	H	α-helix	trans	-60.2	-34	173.9	-76.2	-14.6	0	0	0	112.2	D241 F242 F247 N248	D241-D245 PolarHBondContact O-N 2.87Å; F242-D245 PolarHBondContact O-N 3.01Å; D245-F247 PolarHBondContact O-N 2.77Å; D245-N248 PolarHBondContact O-N 2.67Å; D245-N248 VanDerWaalsContact O-N 3.13Å
246	M	91	Very high	89.7	Confident	16 Å²	16	48.2 Å²	48.2	8%	0.079	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-63.2	-11.3	175.1	-61.6	-48.2	-48.8	0	0	114.1	L210 I222 F242 L243 V244 N248 D249 V254 A258	L210-M246 HydrophobicContact CB-SD 4.09Å; L210-M246 HydrophobicContact CD2-CG 4.33Å; L210-M246 HydrophobicContact CD2-SD 4.44Å; I222-M246 HydrophobicContact CD1-CG 4.49Å; F242-M246 WeakPolarHBondContact O-CG 3.32Å; F242-M246 PolarHBondContact O-N 2.85Å; L243-M246 WeakPolarHBondContact O-CB 3.24Å; L243-M246 PolarHBondContact O-N 3.48Å; V244-M246 PolarHBondContact O-N 3.22Å; M246-N248 PolarHBondContact O-N 3.18Å; M246-D249 HydrophobicContact CE-CB 4.04Å; M246-D249 WeakPolarHBondContact CE-OD2 3.4Å; M246-D249 VanDerWaalsContact O-CB 3.31Å; M246-D249 WeakPolarHBondContact O-CB 3.21Å; M246-D249 PolarHBondContact O-N 3.13Å; M246-V254 HydrophobicContact CE-CG1 3.67Å; M246-A258 HydrophobicContact CB-CB 3.64Å
247	F	88.9	Confident	89.8	Confident	5 Å²	5	49.7 Å²	49.7	2%	0.022	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-70.5	-19.7	176.2	-70	12.7	0	0	0	112	L243 V244 D245 R255 A258 I259 L262 I279 I294	L243-F247 WeakPolarHBondContact O-CD1 3.46Å; V244-F247 VanDerWaalsContact O-CB 3.24Å; V244-F247 WeakPolarHBondContact O-CB 3.22Å; V244-F247 WeakPolarHBondContact O-CG 3.3Å; V244-F247 PolarHBondContact O-N 2.87Å; D245-F247 PolarHBondContact O-N 2.77Å; F247-R255 WeakPolarHBondContact O-CD 3.47Å; F247-A258 HydrophobicContact CD1-CB 4.05Å; F247-A258 HydrophobicContact CE1-CB 4.05Å; F247-I259 HydrophobicContact CD1-CG1 3.72Å; F247-I259 HydrophobicContact CD2-CG1 4.19Å; F247-I259 HydrophobicContact CE1-CB 4.08Å; F247-I259 HydrophobicContact CE1-CG1 3.46Å; F247-I259 VanDerWaalsContact CE1-CG1 3.46Å; F247-I259 HydrophobicContact CE2-CG1 3.95Å; F247-I259 HydrophobicContact CG-CG1 4.07Å; F247-I259 HydrophobicContact CZ-CB 4.05Å; F247-I259 HydrophobicContact CZ-CG1 3.55Å; F247-I259 HydrophobicContact CZ-CG2 4.26Å; F247-L262 HydrophobicContact CE1-CB 4.43Å; F247-L262 HydrophobicContact CE1-CD2 4.14Å; F247-L262 HydrophobicContact CE2-CD2 4.06Å; F247-L262 HydrophobicContact CZ-CB 4.16Å; F247-L262 HydrophobicContact CZ-CD2 3.38Å; F247-L262 HydrophobicContact CZ-CG 4.38Å; F247-I279 HydrophobicContact CE2-CB 4.48Å; F247-I279 HydrophobicContact CE2-CG1 3.99Å; F247-I279 HydrophobicContact CE2-CG2 4.43Å; F247-I294 HydrophobicContact CD2-CD1 3.42Å; F247-I294 VanDerWaalsContact CD2-CD1 3.42Å; F247-I294 HydrophobicContact CE2-CD1 3.2Å; F247-I294 HydrophobicContact CG-CD1 4.39Å; F247-I294 HydrophobicContact CZ-CD1 4.05Å
248	N	87.7	Confident	90	Very high	99 Å²	99	46.3 Å²	46.3	53%	0.529	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-97.9	14.4	176.8	-59.7	-52.8	0	0	0	112.6	D245 M246	D245-N248 PolarHBondContact O-N 2.67Å; D245-N248 VanDerWaalsContact O-N 3.13Å; M246-N248 PolarHBondContact O-N 3.18Å
249	D	91.6	Very high	90.2	Very high	18 Å²	18	41.8 Å²	41.8	10%	0.096	21%	0.208	C	C	.	.			trans	-60.6	149.4	175.8	-165.2	-73.2	0	0	0	111.5	R218 M246 I251 V254 R255	R218-D249 WeakPolarHBondContact CD-OD2 3.48Å; R218-D249 IonicContact CZ-OD2 2.95Å; R218-D249 IonicContact NE-OD2 3.35Å; R218-D249 VanDerWaalsContact NH1-CG 3.25Å; R218-D249 IonicContact NH1-OD1 2.97Å; R218-D249 PolarHBondContact NH1-OD1 2.89Å; R218-D249 IonicContact NH1-OD2 3.23Å; R218-D249 PolarHBondContact NH1-OD2 3.36Å; M246-D249 HydrophobicContact CE-CB 4.04Å; M246-D249 WeakPolarHBondContact CE-OD2 3.4Å; M246-D249 VanDerWaalsContact O-CB 3.31Å; M246-D249 WeakPolarHBondContact O-CB 3.21Å; M246-D249 PolarHBondContact O-N 3.13Å; D249-I251 PolarHBondContact O-N 3.18Å; D249-I251 PolarHBondContact OD1-N 3.22Å; D249-V254 HydrophobicContact CB-CB 4.27Å; D249-V254 HydrophobicContact CB-CG1 4.1Å; D249-R255 HydrophobicContact CB-CG 3.79Å; D249-R255 WeakPolarHBondContact O-CD 3.5Å; D249-R255 WeakPolarHBondContact O-CG 3.49Å; D249-R255 PolarHBondContact O-NE 2.84Å
250	E	89.5	Confident	90.2	Very high	154 Å²	154	44.8 Å²	44.8	72%	0.72	22%	0.221	S	C	*	.	S	Bend	trans	-70.6	-17.8	-179.7	69.3	-162.3	152.7	0	0	113.3	R218	R218-E250 IonicContact CZ-OE1 2.65Å; R218-E250 IonicContact NH1-OE1 3.73Å; R218-E250 PolarHBondContact NH1-OE1 3.39Å; R218-E250 IonicContact NH2-OE1 3.66Å; R218-E250 PolarHBondContact NH2-OE1 3.03Å
251	I	89.9	Confident	90.2	Very high	51 Å²	51	45.5 Å²	45.5	26%	0.262	23%	0.225	S	C	.	.			trans	-106.3	120.4	-176	-53.5	-178.5	0	0	0	110.9	M215 D249 E253 V254 R255	M215-I251 HydrophobicContact CB-CD1 3.8Å; M215-I251 HydrophobicContact CG-CD1 4.18Å; M215-I251 HydrophobicContact CG-CG2 4.31Å; M215-I251 HydrophobicContact SD-CD1 4.45Å; M215-I251 HydrophobicContact SD-CG2 3.7Å; D249-I251 PolarHBondContact O-N 3.18Å; D249-I251 PolarHBondContact OD1-N 3.22Å; I251-E253 VanDerWaalsContact C-N 3.26Å; I251-E253 HydrophobicContact CG2-CB 4.18Å; I251-E253 PolarHBondContact O-N 2.82Å; I251-V254 HydrophobicContact CB-CB 4.31Å; I251-V254 HydrophobicContact CB-CG2 3.87Å; I251-V254 HydrophobicContact CD1-CG2 4.43Å; I251-V254 HydrophobicContact CG2-CG2 4.09Å; I251-V254 PolarHBondContact O-N 3.46Å; I251-V254 VanDerWaalsContact O-N 3.11Å; I251-R255 WeakPolarHBondContact O-CG 3.3Å; I251-R255 PolarHBondContact O-N 2.9Å; I251-R255 VanDerWaalsContact O-N 3.08Å
252	D	88.8	Confident	90.3	Very high	93 Å²	93	42.2 Å²	42.2	50%	0.497	21%	0.207	S	C	.	.	H	α-helix	trans	-52.4	-40	178.5	-70.2	-7.3	0	0	0	113.8	R255 L256	D252-R255 PolarHBondContact O-N 2.9Å; D252-R255 IonicContact OD1-CZ 3.44Å; D252-R255 IonicContact OD1-NE 2.78Å; D252-R255 IonicContact OD1-NH2 3.54Å; D252-R255 PolarHBondContact OD1-NH2 3.4Å; D252-L256 WeakPolarHBondContact O-CB 3.46Å; D252-L256 PolarHBondContact O-N 3.4Å
253	E	89.7	Confident	90.1	Very high	118 Å²	118	40.5 Å²	40.5	55%	0.551	20%	0.201	S	C	*	.	H	α-helix	trans	-65.7	-41.6	-179.4	-173.7	169.1	178	0	0	112.1	M215 I251 L256 N257	M215-E253 HydrophobicContact SD-CB 4.05Å; M215-E253 HydrophobicContact SD-CG 4.34Å; I251-E253 VanDerWaalsContact C-N 3.26Å; I251-E253 HydrophobicContact CG2-CB 4.18Å; I251-E253 PolarHBondContact O-N 2.82Å; E253-L256 PolarHBondContact O-N 2.9Å; E253-N257 WeakPolarHBondContact O-CB 3.23Å; E253-N257 PolarHBondContact O-N 2.6Å
254	V	92.4	Very high	89.9	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-66.1	-46.4	177	-177.8	0	0	0	0	110	M215 R218 I222 M246 D249 I251 L256 N257 A258	M215-V254 HydrophobicContact CB-CG2 4.39Å; M215-V254 HydrophobicContact CG-CG2 3.63Å; R218-V254 HydrophobicContact CB-CG1 4.1Å; R218-V254 HydrophobicContact CB-CG2 4.36Å; I222-V254 HydrophobicContact CD1-CG1 3.78Å; M246-V254 HydrophobicContact CE-CG1 3.67Å; D249-V254 HydrophobicContact CB-CB 4.27Å; D249-V254 HydrophobicContact CB-CG1 4.1Å; I251-V254 HydrophobicContact CB-CB 4.31Å; I251-V254 HydrophobicContact CB-CG2 3.87Å; I251-V254 HydrophobicContact CD1-CG2 4.43Å; I251-V254 HydrophobicContact CG2-CG2 4.09Å; I251-V254 PolarHBondContact O-N 3.46Å; I251-V254 VanDerWaalsContact O-N 3.11Å; V254-L256 PolarHBondContact O-N 3.33Å; V254-N257 PolarHBondContact O-N 3.05Å; V254-A258 WeakPolarHBondContact O-CB 3.34Å; V254-A258 PolarHBondContact O-N 3.21Å
255	R	91.6	Very high	89.7	Confident	43 Å²	43	46.1 Å²	46.1	16%	0.162	22%	0.222	C	C	.	.	H	α-helix	trans	-56.1	-51.6	176	-66	-165.3	-75.9	159.4	13.8	111.2	F247 D249 I251 D252 N257 A258 I259 D285	F247-R255 WeakPolarHBondContact O-CD 3.47Å; D249-R255 HydrophobicContact CB-CG 3.79Å; D249-R255 WeakPolarHBondContact O-CD 3.5Å; D249-R255 WeakPolarHBondContact O-CG 3.49Å; D249-R255 PolarHBondContact O-NE 2.84Å; I251-R255 WeakPolarHBondContact O-CG 3.3Å; I251-R255 PolarHBondContact O-N 2.9Å; I251-R255 VanDerWaalsContact O-N 3.08Å; D252-R255 PolarHBondContact O-N 2.9Å; D252-R255 IonicContact OD1-CZ 3.44Å; D252-R255 IonicContact OD1-NE 2.78Å; D252-R255 IonicContact OD1-NH2 3.54Å; D252-R255 PolarHBondContact OD1-NH2 3.4Å; R255-N257 VanDerWaalsContact C-N 3.32Å; R255-N257 PolarHBondContact O-N 2.68Å; R255-A258 PolarHBondContact O-N 2.93Å; R255-I259 WeakPolarHBondContact O-CD1 3.27Å; R255-I259 WeakPolarHBondContact O-CG1 3.4Å; R255-I259 PolarHBondContact O-N 3.07Å; R255-D285 IonicContact CZ-OD1 2.84Å; R255-D285 IonicContact CZ-OD2 3.68Å; R255-D285 IonicContact NE-OD2 3.86Å; R255-D285 IonicContact NH1-OD1 2.78Å; R255-D285 IonicContact NH1-OD2 3.53Å; R255-D285 PolarHBondContact NH1-OD2 3.43Å; R255-D285 IonicContact NH2-OD1 3.16Å; R255-D285 PolarHBondContact NH2-OD1 3.04Å; R255-D285 IonicContact NH2-OD2 3.68Å; R255-D285 PolarHBondContact NH2-OD2 3.44Å; R255-D285 VanDerWaalsContact NH2-OD2 3.15Å
256	L	90.1	Very high	89.6	Confident	30 Å²	30	41.6 Å²	41.6	16%	0.157	20%	0.198	C	C	.	.	H	α-helix	trans	-62.9	-38	-179.7	-175.7	62.5	0	0	0	112.2	D252 E253 V254 I259 K260 D289 A293 F588	D252-L256 WeakPolarHBondContact O-CB 3.46Å; D252-L256 PolarHBondContact O-N 3.4Å; E253-L256 PolarHBondContact O-N 2.9Å; V254-L256 PolarHBondContact O-N 3.33Å; L256-I259 PolarHBondContact O-N 3.47Å; L256-K260 HydrophobicContact CG-CD 4.41Å; L256-K260 VanDerWaalsContact O-CG 3.31Å; L256-K260 WeakPolarHBondContact O-CG 3.35Å; L256-K260 PolarHBondContact O-N 2.94Å; L256-K260 VanDerWaalsContact O-N 3.1Å; L256-D289 HydrophobicContact CD1-CB 4.43Å; L256-D289 HydrophobicContact CD2-CB 4.42Å; L256-A293 HydrophobicContact CD1-CB 3.78Å; L256-F588 HydrophobicContact CD1-CE2 4.32Å
257	N	91.6	Very high	89.1	Confident	31 Å²	31	42.7 Å²	42.7	17%	0.166	21%	0.206	C	C	.	.	H	α-helix	trans	-65.8	-45.4	176.8	-165.4	37.9	0	0	0	111.7	N219 D223 E253 V254 R255 I259 K260 H261	N219-N257 WeakPolarHBondContact OD1-CB 3.32Å; N219-N257 PolarHBondContact OD1-ND2 3.04Å; D223-N257 PolarHBondContact OD1-ND2 2.85Å; E253-N257 WeakPolarHBondContact O-CB 3.23Å; E253-N257 PolarHBondContact O-N 2.6Å; V254-N257 PolarHBondContact O-N 3.05Å; R255-N257 VanDerWaalsContact C-N 3.32Å; R255-N257 PolarHBondContact O-N 2.68Å; N257-I259 VanDerWaalsContact C-N 3.33Å; N257-I259 PolarHBondContact O-N 3.37Å; N257-K260 PolarHBondContact O-N 3.11Å; N257-H261 PolarHBondContact O-CD2 2.9Å; N257-H261 VanDerWaalsContact O-CD2 3.31Å; N257-H261 PolarHBondContact O-N 3.13Å; N257-H261 PolarHBondContact OD1-CD2 2.82Å; N257-H261 PolarHBondContact OD1-NE2 3.03Å
258	A	92.6	Very high	88.8	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-57.3	-45.7	175	0	0	0	0	0	111.8	I222 M246 F247 V254 R255 K260 H261 L262	I222-A258 HydrophobicContact CD1-CB 4.1Å; M246-A258 HydrophobicContact CB-CB 3.64Å; F247-A258 HydrophobicContact CD1-CB 4.05Å; F247-A258 HydrophobicContact CE1-CB 4.05Å; V254-A258 WeakPolarHBondContact O-CB 3.34Å; V254-A258 PolarHBondContact O-N 3.21Å; R255-A258 PolarHBondContact O-N 2.93Å; A258-K260 PolarHBondContact O-N 3.38Å; A258-H261 PolarHBondContact O-N 3.35Å; A258-L262 WeakPolarHBondContact O-CB 3.41Å; A258-L262 PolarHBondContact O-N 3.31Å
259	I	91	Very high	88.7	Confident	3 Å²	3	43.2 Å²	43.2	2%	0.015	20%	0.204	C	C	.	.	H	α-helix	trans	-63.1	-44.3	-179.7	-60.5	159.3	0	0	0	111.2	F247 R255 L256 N257 H261 L262 A263 A293 I294 V297	F247-I259 HydrophobicContact CD1-CG1 3.72Å; F247-I259 HydrophobicContact CD2-CG1 4.19Å; F247-I259 HydrophobicContact CE1-CB 4.08Å; F247-I259 HydrophobicContact CE1-CG1 3.46Å; F247-I259 VanDerWaalsContact CE1-CG1 3.46Å; F247-I259 HydrophobicContact CE2-CG1 3.95Å; F247-I259 HydrophobicContact CG-CG1 4.07Å; F247-I259 HydrophobicContact CZ-CB 4.05Å; F247-I259 HydrophobicContact CZ-CG1 3.55Å; F247-I259 HydrophobicContact CZ-CG2 4.26Å; R255-I259 WeakPolarHBondContact O-CD1 3.27Å; R255-I259 WeakPolarHBondContact O-CG1 3.4Å; R255-I259 PolarHBondContact O-N 3.07Å; L256-I259 PolarHBondContact O-N 3.47Å; N257-I259 VanDerWaalsContact C-N 3.33Å; N257-I259 PolarHBondContact O-N 3.37Å; I259-H261 PolarHBondContact O-N 3.24Å; I259-L262 PolarHBondContact O-N 3.32Å; I259-A263 PolarHBondContact O-N 2.79Å; I259-A293 HydrophobicContact CB-CB 4.01Å; I259-A293 HydrophobicContact CD1-CB 4.41Å; I259-A293 HydrophobicContact CG2-CB 3.33Å; I259-I294 HydrophobicContact CD1-CD1 3.79Å; I259-I294 HydrophobicContact CD1-CG1 3.92Å; I259-I294 HydrophobicContact CG1-CD1 3.73Å; I259-I294 HydrophobicContact CG1-CG1 4.35Å; I259-I294 HydrophobicContact CG2-CD1 3.96Å; I259-I294 HydrophobicContact CG2-CG1 4.25Å; I259-V297 HydrophobicContact CG2-CG2 3.55Å; I259-V297 VanDerWaalsContact O-CG2 3.28Å; I259-V297 WeakPolarHBondContact O-CG2 3.37Å
260	K	89.4	Confident	88.5	Confident	63 Å²	63	45.5 Å²	45.5	27%	0.274	22%	0.219	S	C	.	.	H	α-helix	trans	-61.7	-43.1	178.4	-75.5	171.9	179.9	173.2	0	112.3	L256 N257 A258 A263	L256-K260 HydrophobicContact CG-CD 4.41Å; L256-K260 VanDerWaalsContact O-CG 3.31Å; L256-K260 WeakPolarHBondContact O-CG 3.35Å; L256-K260 PolarHBondContact O-N 2.94Å; L256-K260 VanDerWaalsContact O-N 3.1Å; N257-K260 PolarHBondContact O-N 3.11Å; A258-K260 PolarHBondContact O-N 3.38Å; K260-A263 WeakPolarHBondContact O-CB 3.45Å; K260-A263 PolarHBondContact O-N 3.18Å
261	H	90	Very high	88.3	Confident	19 Å²	19	38.2 Å²	38.2	9%	0.088	19%	0.185	C	C	.	.	H	α-helix	trans	-71.1	-35.4	178.2	-76.3	-47.4	0	0	0	112.5	I222 D223 N257 A258 I259 A263 R264 L265	I222-H261 HydrophobicContact CG2-CB 4.06Å; I222-H261 VanDerWaalsContact CG2-CD2 3.45Å; I222-H261 WeakPolarHBondContact CG2-CD2 3.24Å; D223-H261 IonicContact OD1-CD2 3.04Å; D223-H261 PolarHBondContact OD1-CD2 2.86Å; D223-H261 IonicContact OD1-CE1 3.15Å; D223-H261 IonicContact OD1-NE2 3.82Å; D223-H261 PolarHBondContact OD1-NE2 2.57Å; N257-H261 PolarHBondContact O-CD2 2.9Å; N257-H261 VanDerWaalsContact O-CD2 3.31Å; N257-H261 PolarHBondContact O-N 3.13Å; N257-H261 PolarHBondContact OD1-CD2 2.82Å; N257-H261 PolarHBondContact OD1-NE2 3.03Å; A258-H261 PolarHBondContact O-N 3.35Å; I259-H261 PolarHBondContact O-N 3.24Å; H261-A263 VanDerWaalsContact C-N 3.31Å; H261-A263 PolarHBondContact O-N 3.19Å; H261-R264 WeakPolarHBondContact O-CB 3.38Å; H261-R264 PolarHBondContact O-N 3.2Å; H261-L265 PolarHBondContact O-N 3.11Å
262	L	90.4	Very high	88	Confident	1 Å²	1	36.1 Å²	36.1	1%	0.005	18%	0.175	C	C	.	.	H	α-helix	trans	-61.9	-40.8	172.9	-172.9	64.2	0	0	0	111.4	L240 V244 F247 A258 I259 R264 L265 C266 I279 V297	L240-L262 HydrophobicContact CD1-CD1 3.41Å; L240-L262 VanDerWaalsContact CD1-CD1 3.41Å; L240-L262 HydrophobicContact CD1-CD2 4.49Å; V244-L262 HydrophobicContact CG2-CD2 3.83Å; F247-L262 HydrophobicContact CE1-CB 4.43Å; F247-L262 HydrophobicContact CE1-CD2 4.14Å; F247-L262 HydrophobicContact CE2-CD2 4.06Å; F247-L262 HydrophobicContact CZ-CB 4.16Å; F247-L262 HydrophobicContact CZ-CD2 3.38Å; F247-L262 HydrophobicContact CZ-CG 4.38Å; A258-L262 WeakPolarHBondContact O-CB 3.41Å; A258-L262 PolarHBondContact O-N 3.31Å; I259-L262 PolarHBondContact O-N 3.32Å; L262-R264 PolarHBondContact O-N 3.11Å; L262-R264 VanDerWaalsContact O-N 3.11Å; L262-L265 WeakPolarHBondContact O-CA 3.47Å; L262-L265 PolarHBondContact O-N 3.44Å; L262-C266 PolarHBondContact O-N 3.44Å; L262-C266 PolarHBondContact O-SG 3.43Å; L262-I279 HydrophobicContact CD2-CD1 4.34Å; L262-V297 HydrophobicContact CD2-CG1 3.96Å; L262-V297 HydrophobicContact CG-CG1 4.33Å
263	A	86.9	Confident	87.9	Confident	7 Å²	7	35 Å²	35	6%	0.058	17%	0.167	C	C	.	.	H	α-helix	trans	-56.2	-31.2	177.6	0	0	0	0	0	112.9	I259 K260 H261 V297 L589	I259-A263 PolarHBondContact O-N 2.79Å; K260-A263 WeakPolarHBondContact O-CB 3.45Å; K260-A263 PolarHBondContact O-N 3.18Å; H261-A263 VanDerWaalsContact C-N 3.31Å; H261-A263 PolarHBondContact O-N 3.19Å; A263-V297 HydrophobicContact CB-CG2 3.77Å; A263-L589 HydrophobicContact CB-CD2 4.18Å
264	R	85.5	Confident	87.6	Confident	118 Å²	118	36.2 Å²	36.2	45%	0.445	17%	0.173	S	C	.	.	H	α-helix	trans	-75.6	-28.8	176.1	-61	172.7	65.8	177.1	2.4	113	H261 L262 P267	H261-R264 WeakPolarHBondContact O-CB 3.38Å; H261-R264 PolarHBondContact O-N 3.2Å; L262-R264 PolarHBondContact O-N 3.11Å; L262-R264 VanDerWaalsContact O-N 3.11Å; R264-P267 WeakPolarHBondContact O-CD 3.39Å
265	L	87	Confident	87.3	Confident	3 Å²	3	37.8 Å²	37.8	2%	0.016	18%	0.18	C	C	.	.	H	α-helix	trans	-87.4	-30.5	-179.5	-62.6	177.3	0	0	0	112.9	A229 M230 L243 H261 L262 P267 F268 V269	A229-L265 HydrophobicContact CB-CD1 3.92Å; A229-L265 HydrophobicContact CB-CD2 3.57Å; A229-L265 HydrophobicContact CB-CG 4.41Å; M230-L265 HydrophobicContact CG-CD2 3.89Å; L243-L265 HydrophobicContact CD1-CD1 3.49Å; L243-L265 VanDerWaalsContact CD1-CD1 3.49Å; H261-L265 PolarHBondContact O-N 3.11Å; L262-L265 WeakPolarHBondContact O-CA 3.47Å; L262-L265 PolarHBondContact O-N 3.44Å; L265-P267 VanDerWaalsContact C-N 3.28Å; L265-P267 WeakPolarHBondContact O-CD 3.25Å; L265-P267 VanDerWaalsContact O-N 3.07Å; L265-F268 PolarHBondContact O-N 3.37Å; L265-V269 PolarHBondContact O-N 3.39Å
266	C	85.2	Confident	87.1	Confident	2 Å²	2	35.7 Å²	35.7	1%	0.014	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-47.6	-34.6	179.6	-72.7	0	0	0	0	116.1	L262 F268 C300 C301	L262-C266 PolarHBondContact O-N 3.44Å; L262-C266 PolarHBondContact O-SG 3.43Å; C266-F268 PolarHBondContact O-N 3.01Å; C266-C300 HydrophobicContact CB-CB 4.12Å; C266-C301 VanDerWaalsContact SG-SG 3.64Å
267	P	82	Confident	86.9	Confident	39 Å²	39	40.6 Å²	40.6	25%	0.253	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-17.3	175.7	-23.4	35.5	0	0	0	114.7	R264 L265 R302	R264-P267 WeakPolarHBondContact O-CD 3.39Å; L265-P267 VanDerWaalsContact C-N 3.28Å; L265-P267 WeakPolarHBondContact O-CD 3.25Å; L265-P267 VanDerWaalsContact O-N 3.07Å; P267-R302 PolarHBondContact O-NE 2.96Å; P267-R302 PolarHBondContact O-NH2 3.39Å
268	F	82.7	Confident	86.6	Confident	112 Å²	112	40.6 Å²	40.6	49%	0.491	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.5	-13.8	-173.3	-55.1	-76.1	0	0	0	113.8	L265 C266	L265-F268 PolarHBondContact O-N 3.37Å; C266-F268 PolarHBondContact O-N 3.01Å
269	V	85.9	Confident	86.4	Confident	3 Å²	3	40.6 Å²	40.6	2%	0.018	19%	0.191	C	C	.	.	S	Bend	trans	-116.2	145.3	-172.6	-179.8	0	0	0	0	109.9	A236 Q237 L240 L265	A236-V269 HydrophobicContact CB-CG2 3.68Å; Q237-V269 VanDerWaalsContact OE1-CG1 3.32Å; L240-V269 HydrophobicContact CB-CG1 4.34Å; L240-V269 HydrophobicContact CD1-CG1 4.38Å; L240-V269 HydrophobicContact CD2-CG1 3.78Å; L240-V269 HydrophobicContact CG-CG1 4.39Å; L265-V269 PolarHBondContact O-N 3.39Å
270	T	86.5	Confident	86.3	Confident	66 Å²	66	41.9 Å²	41.9	41%	0.405	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	129.1	169.9	47	0	0	0	0	109.4	Q237	Q237-T270 PolarHBondContact NE2-O 3.45Å; Q237-T270 PolarHBondContact OE1-O 3.29Å; Q237-T270 PolarHBondContact OE1-OG1 2.81Å
271	V	85.6	Confident	86.1	Confident	1 Å²	1	43.5 Å²	43.5	1%	0.006	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	116.4	-178.2	-170.1	0	0	0	0	108.7	Q275 L276 I279 C301 R302	V271-Q275 HydrophobicContact CG1-CB 3.77Å; V271-L276 HydrophobicContact CG1-CD2 3.94Å; V271-L276 HydrophobicContact CG1-CG 3.82Å; V271-I279 HydrophobicContact CG1-CD1 3.85Å; V271-C301 HydrophobicContact CG2-CB 4.32Å; V271-R302 PolarHBondContact N-O 3.02Å
272	G	84.1	Confident	85.8	Confident	6 Å²	6	42.9 Å²	42.9	6%	0.062	21%	0.207	C	C	.	.			trans	-80.4	177.2	177.1	0	0	0	0	0	113.5	E274 L276	G272-E274 PolarHBondContact O-N 3.46Å; G272-L276 WeakPolarHBondContact O-CB 3.41Å; G272-L276 VanDerWaalsContact O-CG 3.26Å; G272-L276 WeakPolarHBondContact O-CG 3.41Å; G272-L276 PolarHBondContact O-N 2.9Å
273	E	85.4	Confident	85.5	Confident	69 Å²	69	43.1 Å²	43.1	32%	0.322	21%	0.208	S	C	.	.	H	α-helix	trans	-63.1	-40.7	-176.5	-174.5	-177.5	154.3	0	0	113.3	L276 R277 L311	E273-L276 PolarHBondContact O-N 3.22Å; E273-R277 PolarHBondContact O-N 3.36Å; E273-R277 VanDerWaalsContact O-N 3.11Å; E273-R277 IonicContact OE1-CZ 3.2Å; E273-R277 IonicContact OE1-NH1 2.62Å; E273-R277 PolarHBondContact OE1-NH1 3.35Å; E273-R277 IonicContact OE1-NH2 3.15Å; E273-R277 PolarHBondContact OE1-NH2 2.72Å; E273-L311 HydrophobicContact CG-CD1 4.34Å
274	E	83.8	Confident	85.4	Confident	144 Å²	144	46.6 Å²	46.6	67%	0.673	23%	0.228	S	C	*	.	H	α-helix	trans	-66.1	-46.1	-179	-65.9	-171.7	164	0	0	111.3	G272 L276 R277 S278	G272-E274 PolarHBondContact O-N 3.46Å; E274-L276 VanDerWaalsContact C-N 3.3Å; E274-L276 PolarHBondContact O-N 2.8Å; E274-R277 PolarHBondContact O-N 3.13Å; E274-S278 PolarHBondContact O-N 2.96Å
275	Q	86.1	Confident	85.2	Confident	33 Å²	33	41.6 Å²	41.6	15%	0.154	21%	0.21	C	C	.	.	H	α-helix	trans	-64.1	-38.1	176.9	-62.5	79.3	15.6	0	0	111.1	L240 D241 V271 R277 S278 I279	L240-Q275 HydrophobicContact CD2-CB 4.27Å; L240-Q275 HydrophobicContact CD2-CG 3.82Å; L240-Q275 HydrophobicContact CG-CG 4.16Å; D241-Q275 VanDerWaalsContact OD1-CG 3.24Å; D241-Q275 WeakPolarHBondContact OD1-CG 3.46Å; D241-Q275 PolarHBondContact OD1-NE2 3.24Å; V271-Q275 HydrophobicContact CG1-CB 3.77Å; Q275-R277 PolarHBondContact O-N 3.31Å; Q275-S278 PolarHBondContact O-N 2.9Å; Q275-I279 VanDerWaalsContact O-CG1 3.28Å; Q275-I279 WeakPolarHBondContact O-CG1 3.16Å; Q275-I279 PolarHBondContact O-N 2.63Å
276	L	88.2	Confident	84.9	Confident	0 Å²	0	47 Å²	47	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-61	-41	175.8	-79	171	0	0	0	112.7	V271 G272 E273 E274 S278 I279 Y280 L298 L303 C308	V271-L276 HydrophobicContact CG1-CD2 3.94Å; V271-L276 HydrophobicContact CG1-CG 3.82Å; G272-L276 WeakPolarHBondContact O-CB 3.41Å; G272-L276 VanDerWaalsContact O-CG 3.26Å; G272-L276 WeakPolarHBondContact O-CG 3.41Å; G272-L276 PolarHBondContact O-N 2.9Å; E273-L276 PolarHBondContact O-N 3.22Å; E274-L276 VanDerWaalsContact C-N 3.3Å; E274-L276 PolarHBondContact O-N 2.8Å; L276-S278 VanDerWaalsContact C-N 3.31Å; L276-S278 PolarHBondContact O-N 2.87Å; L276-I279 PolarHBondContact O-N 2.79Å; L276-Y280 HydrophobicContact CB-CE1 4.32Å; L276-Y280 HydrophobicContact CB-CE2 4Å; L276-Y280 HydrophobicContact CD2-CE1 4.16Å; L276-Y280 WeakPolarHBondContact O-CD1 3.4Å; L276-Y280 VanDerWaalsContact O-CD2 3.23Å; L276-Y280 WeakPolarHBondContact O-CD2 2.95Å; L276-Y280 PolarHBondContact O-N 2.87Å; L276-L298 HydrophobicContact CD2-CD2 4.17Å; L276-L303 HydrophobicContact CD1-CD2 3.94Å; L276-L303 HydrophobicContact CD2-CD2 3.85Å; L276-L303 HydrophobicContact CG-CD2 4.48Å; L276-C308 HydrophobicContact CD1-CB 3.67Å
277	R	85.8	Confident	84.9	Confident	133 Å²	133	47.8 Å²	47.8	50%	0.502	25%	0.254	S	S	.	.	H	α-helix	trans	-58.7	-44.3	176.8	-74.4	-178.8	173.4	121.2	4.4	111.7	E273 E274 Q275 Y280 N281	E273-R277 PolarHBondContact O-N 3.36Å; E273-R277 VanDerWaalsContact O-N 3.11Å; E273-R277 IonicContact OE1-CZ 3.2Å; E273-R277 IonicContact OE1-NH1 2.62Å; E273-R277 PolarHBondContact OE1-NH1 3.35Å; E273-R277 IonicContact OE1-NH2 3.15Å; E273-R277 PolarHBondContact OE1-NH2 2.72Å; E274-R277 PolarHBondContact O-N 3.13Å; Q275-R277 PolarHBondContact O-N 3.31Å; R277-Y280 PolarHBondContact O-N 3.02Å; R277-N281 PolarHBondContact O-N 2.92Å
278	S	84.9	Confident	84.9	Confident	31 Å²	31	49 Å²	49	22%	0.217	26%	0.262	C	S	.	.	H	α-helix	trans	-65.3	-40.2	176.3	-65	0	0	0	0	112	E274 Q275 L276 Y280 N281	E274-S278 PolarHBondContact O-N 2.96Å; Q275-S278 PolarHBondContact O-N 2.9Å; L276-S278 VanDerWaalsContact C-N 3.31Å; L276-S278 PolarHBondContact O-N 2.87Å; S278-Y280 VanDerWaalsContact C-N 3.32Å; S278-Y280 PolarHBondContact O-N 3.47Å; S278-N281 WeakPolarHBondContact O-CB 3.24Å; S278-N281 PolarHBondContact O-N 3.2Å
279	I	88.8	Confident	85	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-61.5	-39.6	174.2	-65.5	165.4	0	0	0	111.2	V244 F247 L262 V271 Q275 L276 N281 G282 I294 V297 L298	V244-I279 HydrophobicContact CG1-CG1 4.24Å; V244-I279 HydrophobicContact CG2-CD1 4.39Å; V244-I279 HydrophobicContact CG2-CG1 4.2Å; F247-I279 HydrophobicContact CE2-CB 4.48Å; F247-I279 HydrophobicContact CE2-CG1 3.99Å; F247-I279 HydrophobicContact CE2-CG2 4.43Å; L262-I279 HydrophobicContact CD2-CD1 4.34Å; V271-I279 HydrophobicContact CG1-CD1 3.85Å; Q275-I279 VanDerWaalsContact O-CG1 3.28Å; Q275-I279 WeakPolarHBondContact O-CG1 3.16Å; Q275-I279 PolarHBondContact O-N 2.63Å; L276-I279 PolarHBondContact O-N 2.79Å; I279-N281 VanDerWaalsContact C-N 3.28Å; I279-N281 PolarHBondContact O-N 3.28Å; I279-G282 PolarHBondContact O-N 3.38Å; I279-G282 VanDerWaalsContact O-N 3.09Å; I279-I294 HydrophobicContact CG2-CD1 4.41Å; I279-I294 HydrophobicContact CG2-CG2 3.88Å; I279-I294 WeakPolarHBondContact O-CG2 3.43Å; I279-V297 HydrophobicContact CG2-CG1 4.42Å; I279-L298 HydrophobicContact CG2-CD2 3.74Å; I279-L298 HydrophobicContact CG2-CG 4.1Å
280	Y	88.8	Confident	84.9	Confident	30 Å²	30	46.2 Å²	46.2	12%	0.118	25%	0.252	C	S	.	.	H	α-helix	trans	-64.7	-30.2	179.1	-58	-28.6	0	0	0	113.1	L276 R277 S278 G282 L283 L298 C308 L311 T312 A315	L276-Y280 HydrophobicContact CB-CE1 4.32Å; L276-Y280 HydrophobicContact CB-CE2 4Å; L276-Y280 HydrophobicContact CD2-CE1 4.16Å; L276-Y280 WeakPolarHBondContact O-CD1 3.4Å; L276-Y280 VanDerWaalsContact O-CD2 3.23Å; L276-Y280 WeakPolarHBondContact O-CD2 2.95Å; L276-Y280 PolarHBondContact O-N 2.87Å; R277-Y280 PolarHBondContact O-N 3.02Å; S278-Y280 VanDerWaalsContact C-N 3.32Å; S278-Y280 PolarHBondContact O-N 3.47Å; Y280-G282 PolarHBondContact O-N 3.17Å; Y280-L283 WeakPolarHBondContact O-CB 3.17Å; Y280-L283 PolarHBondContact O-N 3.16Å; Y280-L298 HydrophobicContact CD1-CD2 4.34Å; Y280-L298 HydrophobicContact CE1-CD2 3.93Å; Y280-C308 PolarHBondContact OH-O 2.71Å; Y280-L311 HydrophobicContact CE2-CB 4.12Å; Y280-T312 WeakPolarHBondContact OH-CA 3.43Å; Y280-T312 PolarHBondContact OH-N 3.44Å; Y280-T312 VanDerWaalsContact OH-N 3.17Å; Y280-T312 PolarHBondContact OH-OG1 3.05Å; Y280-A315 HydrophobicContact CD1-CB 3.79Å; Y280-A315 HydrophobicContact CD2-CB 4.26Å; Y280-A315 HydrophobicContact CE1-CB 4.16Å; Y280-A315 HydrophobicContact CG-CB 3.86Å
281	N	84.3	Confident	85	Confident	97 Å²	97	43.7 Å²	43.7	52%	0.519	24%	0.235	S	C	.	.	H	α-helix	trans	-60.5	-32.5	174.6	-69.2	-23.1	0	0	0	111.4	R277 S278 I279 L283 V284	R277-N281 PolarHBondContact O-N 2.92Å; S278-N281 WeakPolarHBondContact O-CB 3.24Å; S278-N281 PolarHBondContact O-N 3.2Å; I279-N281 VanDerWaalsContact C-N 3.28Å; I279-N281 PolarHBondContact O-N 3.28Å; N281-L283 PolarHBondContact O-N 3.23Å; N281-V284 PolarHBondContact O-N 3.03Å; N281-V284 VanDerWaalsContact O-N 3.08Å
282	G	83.4	Confident	85	Confident	6 Å²	6	44.6 Å²	44.6	6%	0.062	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-65.7	-19	173.5	0	0	0	0	0	114.7	I279 Y280 V284 D285	I279-G282 PolarHBondContact O-N 3.38Å; I279-G282 VanDerWaalsContact O-N 3.09Å; Y280-G282 PolarHBondContact O-N 3.17Å; G282-V284 PolarHBondContact O-N 3.13Å; G282-D285 WeakPolarHBondContact O-CB 3.44Å; G282-D285 PolarHBondContact O-N 3.36Å
283	L	85.7	Confident	85.2	Confident	5 Å²	5	44.5 Å²	44.5	3%	0.026	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-72.6	-11.8	172.5	-68.2	174.1	0	0	0	113	Y280 N281 R291 I294 R295 L298 A315 L316 N319	Y280-L283 WeakPolarHBondContact O-CB 3.17Å; Y280-L283 PolarHBondContact O-N 3.16Å; N281-L283 PolarHBondContact O-N 3.23Å; L283-R291 VanDerWaalsContact O-CD 3.24Å; L283-R291 WeakPolarHBondContact O-CD 3.43Å; L283-I294 HydrophobicContact CD2-CB 4.1Å; L283-I294 HydrophobicContact CD2-CG2 3.55Å; L283-I294 HydrophobicContact CG-CG2 3.68Å; L283-R295 HydrophobicContact CD2-CG 3.57Å; L283-L298 HydrophobicContact CD1-CD1 3.95Å; L283-L298 HydrophobicContact CD2-CD1 4.3Å; L283-L298 HydrophobicContact CG-CD1 4.38Å; L283-A315 HydrophobicContact CD1-CB 3.95Å; L283-L316 HydrophobicContact CD1-CD2 4.45Å; L283-N319 HydrophobicContact CB-CB 4.44Å; L283-N319 PolarHBondContact O-ND2 3.03Å
284	V	84	Confident	85.4	Confident	81 Å²	81	41.2 Å²	41.2	49%	0.491	22%	0.222	S	C	.	.	G	3₁₀ helix	trans	-99.1	5.6	178.8	-168.8	0	0	0	0	111.2	N281 G282 R322	N281-V284 PolarHBondContact O-N 3.03Å; N281-V284 VanDerWaalsContact O-N 3.08Å; G282-V284 PolarHBondContact O-N 3.13Å; V284-R322 VanDerWaalsContact CG1-NH1 3.3Å
285	D	81.6	Confident	85.7	Confident	12 Å²	12	34.5 Å²	34.5	6%	0.064	19%	0.191	C	C	.	.			trans	-59.4	141.5	-179	-156.5	-53.7	0	0	0	112.4	R255 G282 S287 S290 R291	R255-D285 IonicContact CZ-OD1 2.84Å; R255-D285 IonicContact CZ-OD2 3.68Å; R255-D285 IonicContact NE-OD2 3.86Å; R255-D285 IonicContact NH1-OD1 2.78Å; R255-D285 IonicContact NH1-OD2 3.53Å; R255-D285 PolarHBondContact NH1-OD2 3.43Å; R255-D285 IonicContact NH2-OD1 3.16Å; R255-D285 PolarHBondContact NH2-OD1 3.04Å; R255-D285 IonicContact NH2-OD2 3.68Å; R255-D285 PolarHBondContact NH2-OD2 3.44Å; R255-D285 VanDerWaalsContact NH2-OD2 3.15Å; G282-D285 WeakPolarHBondContact O-CB 3.44Å; G282-D285 PolarHBondContact O-N 3.36Å; D285-S287 VanDerWaalsContact CG-OG 3.29Å; D285-S287 PolarHBondContact O-N 2.85Å; D285-S287 PolarHBondContact OD1-N 3.46Å; D285-S287 PolarHBondContact OD1-OG 2.84Å; D285-S290 WeakPolarHBondContact OD2-CB 3.24Å; D285-R291 HydrophobicContact CB-CG 3.99Å; D285-R291 VanDerWaalsContact O-CD 3.25Å; D285-R291 WeakPolarHBondContact O-CD 3.35Å; D285-R291 VanDerWaalsContact O-CG 3.31Å; D285-R291 WeakPolarHBondContact O-CG 3.38Å; D285-R291 PolarHBondContact O-NH1 2.75Å
286	S	80.7	Confident	85.7	Confident	116 Å²	116	33.4 Å²	33.4	81%	0.811	19%	0.186	S	C	*	.	S	Bend	trans	-63	-34.9	175.1	-64	0	0	0	0	111.3	R291	S286-R291 PolarHBondContact O-NH1 3.44Å
287	S	84.3	Confident	85.7	Confident	20 Å²	20	33.4 Å²	33.4	14%	0.14	19%	0.186	C	C	.	.	S	Bend	trans	-77.8	123.8	-179.3	63.4	0	0	0	0	111.1	D285 D289 S290 R291	D285-S287 VanDerWaalsContact CG-OG 3.29Å; D285-S287 PolarHBondContact O-N 2.85Å; D285-S287 PolarHBondContact OD1-N 3.46Å; D285-S287 PolarHBondContact OD1-OG 2.84Å; S287-D289 PolarHBondContact O-N 3.18Å; S287-S290 PolarHBondContact O-N 2.87Å; S287-S290 WeakPolarHBondContact OG-CB 3.44Å; S287-S290 PolarHBondContact OG-OG 2.92Å; S287-R291 WeakPolarHBondContact O-CG 3.45Å; S287-R291 PolarHBondContact O-N 2.79Å
288	P	82.5	Confident	85.9	Confident	64 Å²	64	27.1 Å²	27.1	42%	0.416	16%	0.162	S	C	.	.	H	α-helix	trans	-63.2	-26.3	176.9	26.4	-34.1	0	0	0	112	E292	P288-E292 WeakPolarHBondContact O-CB 3.44Å; P288-E292 PolarHBondContact O-N 3.11Å
289	D	83.6	Confident	86.1	Confident	54 Å²	54	25.7 Å²	25.7	29%	0.289	15%	0.152	S	C	.	.	H	α-helix	trans	-67.9	-46.3	-179.9	-69.6	-1.7	0	0	0	112.1	L256 S287 E292 A293 R596	L256-D289 HydrophobicContact CD1-CB 4.43Å; L256-D289 HydrophobicContact CD2-CB 4.42Å; S287-D289 PolarHBondContact O-N 3.18Å; D289-E292 PolarHBondContact O-N 3.08Å; D289-A293 WeakPolarHBondContact O-CB 3.45Å; D289-A293 PolarHBondContact O-N 2.86Å; D289-R596 IonicContact OD1-CZ 3.79Å; D289-R596 IonicContact OD1-NE 2.76Å; D289-R596 IonicContact OD1-NH1 3.44Å; D289-R596 PolarHBondContact OD1-NH1 2.98Å; D289-R596 IonicContact OD1-NH2 3.75Å; D289-R596 PolarHBondContact OD1-NH2 3.28Å; D289-R596 IonicContact OD2-NH1 3.63Å; D289-R596 PolarHBondContact OD2-NH1 3.45Å
290	S	85.5	Confident	86	Confident	2 Å²	2	26.6 Å²	26.6	1%	0.014	16%	0.158	C	C	.	.	H	α-helix	trans	-66.2	-43.4	174.6	-61.8	0	0	0	0	110.9	D285 S287 E292 A293 I294	D285-S290 WeakPolarHBondContact OD2-CB 3.24Å; S287-S290 PolarHBondContact O-N 2.87Å; S287-S290 WeakPolarHBondContact OG-CB 3.44Å; S287-S290 PolarHBondContact OG-OG 2.92Å; S290-E292 VanDerWaalsContact C-N 3.29Å; S290-E292 PolarHBondContact O-N 3.01Å; S290-A293 WeakPolarHBondContact O-CB 3.48Å; S290-A293 PolarHBondContact O-N 2.82Å; S290-A293 VanDerWaalsContact O-N 3.15Å; S290-I294 VanDerWaalsContact O-CG1 3.25Å; S290-I294 WeakPolarHBondContact O-CG1 3.18Å; S290-I294 PolarHBondContact O-N 2.81Å
291	R	88	Confident	85.9	Confident	13 Å²	13	25.1 Å²	25.1	5%	0.049	15%	0.152	C	C	.	.	H	α-helix	trans	-58.2	-42.3	176.9	-64.8	-161.4	-55.3	-87.6	4.6	112.2	L283 D285 S286 S287 R295 E325 D326	L283-R291 VanDerWaalsContact O-CD 3.24Å; L283-R291 WeakPolarHBondContact O-CD 3.43Å; D285-R291 HydrophobicContact CB-CG 3.99Å; D285-R291 VanDerWaalsContact O-CD 3.25Å; D285-R291 WeakPolarHBondContact O-CD 3.35Å; D285-R291 VanDerWaalsContact O-CG 3.31Å; D285-R291 WeakPolarHBondContact O-CG 3.38Å; D285-R291 PolarHBondContact O-NH1 2.75Å; S286-R291 PolarHBondContact O-NH1 3.44Å; S287-R291 WeakPolarHBondContact O-CG 3.45Å; S287-R291 PolarHBondContact O-N 2.79Å; R291-R295 WeakPolarHBondContact O-CG 3.5Å; R291-R295 PolarHBondContact O-N 2.77Å; R291-R295 VanDerWaalsContact O-N 3.16Å; R291-E325 IonicContact NH2-OE1 2.67Å; R291-E325 PolarHBondContact NH2-OE1 3.46Å; R291-D326 IonicContact CZ-OD2 2.79Å; R291-D326 IonicContact NE-OD2 3.05Å; R291-D326 PolarHBondContact NE-OD2 2.95Å; R291-D326 IonicContact NH2-OD1 2.83Å; R291-D326 IonicContact NH2-OD2 3.77Å; R291-D326 PolarHBondContact NH2-OD2 2.87Å
292	E	85.5	Confident	85.9	Confident	21 Å²	21	27 Å²	27	10%	0.098	15%	0.152	C	C	.	.	H	α-helix	trans	-67.8	-42.2	176.3	-172.7	163.1	-160.8	0	0	112.2	P288 D289 S290 I294 R295 E296 F588 R594 R596	P288-E292 WeakPolarHBondContact O-CB 3.44Å; P288-E292 PolarHBondContact O-N 3.11Å; D289-E292 PolarHBondContact O-N 3.08Å; S290-E292 VanDerWaalsContact C-N 3.29Å; S290-E292 PolarHBondContact O-N 3.01Å; E292-I294 VanDerWaalsContact C-N 3.31Å; E292-I294 PolarHBondContact O-N 2.94Å; E292-R295 PolarHBondContact O-N 2.82Å; E292-E296 PolarHBondContact O-N 3.16Å; E292-E296 VanDerWaalsContact O-N 3.1Å; E292-F588 HydrophobicContact CG-CE1 4.2Å; E292-R594 VanDerWaalsContact CD-NH1 3.28Å; E292-R594 IonicContact OE1-CZ 3.94Å; E292-R594 IonicContact OE1-NE 2.6Å; E292-R594 IonicContact OE1-NH1 2.77Å; E292-R594 IonicContact OE1-NH2 3.44Å; E292-R594 PolarHBondContact OE1-NH2 3.08Å; E292-R594 IonicContact OE2-CZ 2.71Å; E292-R594 IonicContact OE2-NE 3.56Å; E292-R594 PolarHBondContact OE2-NE 3.37Å; E292-R594 IonicContact OE2-NH1 3.52Å; E292-R594 PolarHBondContact OE2-NH1 2.95Å; E292-R594 IonicContact OE2-NH2 3.43Å; E292-R594 PolarHBondContact OE2-NH2 3.45Å; E292-R596 IonicContact OE2-NH2 2.64Å; E292-R596 PolarHBondContact OE2-NH2 2.93Å
293	A	87.4	Confident	86.1	Confident	3 Å²	3	27.4 Å²	27.4	3%	0.025	15%	0.153	C	C	.	.	H	α-helix	trans	-59	-42.5	175.9	0	0	0	0	0	111.5	L256 I259 D289 S290 E296 V297 F588	L256-A293 HydrophobicContact CD1-CB 3.78Å; I259-A293 HydrophobicContact CB-CB 4.01Å; I259-A293 HydrophobicContact CD1-CB 4.41Å; I259-A293 HydrophobicContact CG2-CB 3.33Å; D289-A293 WeakPolarHBondContact O-CB 3.45Å; D289-A293 PolarHBondContact O-N 2.86Å; S290-A293 WeakPolarHBondContact O-CB 3.48Å; S290-A293 PolarHBondContact O-N 2.82Å; S290-A293 VanDerWaalsContact O-N 3.15Å; A293-E296 WeakPolarHBondContact O-CB 3.34Å; A293-E296 PolarHBondContact O-N 3.49Å; A293-V297 PolarHBondContact O-N 2.67Å; A293-F588 HydrophobicContact CB-CE1 4.32Å; A293-F588 HydrophobicContact CB-CE2 4.38Å; A293-F588 HydrophobicContact CB-CZ 3.59Å
294	I	91.2	Very high	86	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-64.2	-43.1	177.5	-66.3	-73.4	0	0	0	111.3	F247 I259 I279 L283 S290 E292 E296 V297 L298	F247-I294 HydrophobicContact CD2-CD1 3.42Å; F247-I294 VanDerWaalsContact CD2-CD1 3.42Å; F247-I294 HydrophobicContact CE2-CD1 3.2Å; F247-I294 HydrophobicContact CG-CD1 4.39Å; F247-I294 HydrophobicContact CZ-CD1 4.05Å; I259-I294 HydrophobicContact CD1-CD1 3.79Å; I259-I294 HydrophobicContact CD1-CG1 3.92Å; I259-I294 HydrophobicContact CG1-CD1 3.73Å; I259-I294 HydrophobicContact CG1-CG1 4.35Å; I259-I294 HydrophobicContact CG2-CD1 3.96Å; I259-I294 HydrophobicContact CG2-CG1 4.25Å; I279-I294 HydrophobicContact CG2-CD1 4.41Å; I279-I294 HydrophobicContact CG2-CG2 3.88Å; I279-I294 WeakPolarHBondContact O-CG2 3.43Å; L283-I294 HydrophobicContact CD2-CB 4.1Å; L283-I294 HydrophobicContact CD2-CG2 3.55Å; L283-I294 HydrophobicContact CG-CG2 3.68Å; S290-I294 VanDerWaalsContact O-CG1 3.25Å; S290-I294 WeakPolarHBondContact O-CG1 3.18Å; S290-I294 PolarHBondContact O-N 2.81Å; E292-I294 VanDerWaalsContact C-N 3.31Å; E292-I294 PolarHBondContact O-N 2.94Å; I294-E296 PolarHBondContact O-N 3.26Å; I294-V297 WeakPolarHBondContact O-CB 3.34Å; I294-V297 PolarHBondContact O-N 3.1Å; I294-L298 HydrophobicContact CG2-CD1 4.16Å; I294-L298 HydrophobicContact CG2-CG 4.41Å; I294-L298 WeakPolarHBondContact O-CG 3.48Å; I294-L298 PolarHBondContact O-N 3.39Å
295	R	90.5	Very high	86.2	Confident	3 Å²	3	31 Å²	31	1%	0.011	17%	0.169	C	C	.	.	H	α-helix	trans	-60.4	-32.8	175.7	-72.5	-177.6	-67.9	-103.6	3.1	111.8	L283 R291 E292 A299 L316 N319 D326 S329 C333	L283-R295 HydrophobicContact CD2-CG 3.57Å; R291-R295 WeakPolarHBondContact O-CG 3.5Å; R291-R295 PolarHBondContact O-N 2.77Å; R291-R295 VanDerWaalsContact O-N 3.16Å; E292-R295 PolarHBondContact O-N 2.82Å; R295-A299 WeakPolarHBondContact O-CB 3.28Å; R295-A299 PolarHBondContact O-N 3.24Å; R295-L316 HydrophobicContact CG-CD2 3.94Å; R295-N319 PolarHBondContact NH1-OD1 3.45Å; R295-D326 VanDerWaalsContact CZ-CG 3.5Å; R295-D326 IonicContact CZ-OD1 3.14Å; R295-D326 IonicContact CZ-OD2 2.67Å; R295-D326 IonicContact NH1-OD1 2.61Å; R295-D326 IonicContact NH1-OD2 3.67Å; R295-D326 PolarHBondContact NH1-OD2 3.47Å; R295-D326 IonicContact NH2-OD1 3.23Å; R295-D326 PolarHBondContact NH2-OD1 2.93Å; R295-D326 IonicContact NH2-OD2 3.53Å; R295-D326 PolarHBondContact NH2-OD2 2.9Å; R295-S329 PolarHBondContact NE-OG 2.92Å; R295-C333 HydrophobicContact CB-CB 4.29Å; R295-C333 PolarHBondContact O-SG 3.49Å
296	E	84.8	Confident	86.5	Confident	11 Å²	11	32.4 Å²	32.4	5%	0.051	18%	0.18	C	C	.	.	H	α-helix	trans	-75.3	-37.3	175.7	-71.6	-179.4	-160	0	0	113.7	E292 A293 I294 A299 C300 F588 L589 F592 R594	E292-E296 PolarHBondContact O-N 3.16Å; E292-E296 VanDerWaalsContact O-N 3.1Å; A293-E296 WeakPolarHBondContact O-CB 3.34Å; A293-E296 PolarHBondContact O-N 3.49Å; I294-E296 PolarHBondContact O-N 3.26Å; E296-A299 PolarHBondContact O-N 3.31Å; E296-C300 PolarHBondContact O-N 2.77Å; E296-C300 PolarHBondContact O-SG 3.48Å; E296-C300 VanDerWaalsContact O-SG 3.33Å; E296-F588 HydrophobicContact CG-CE1 4.29Å; E296-F588 WeakPolarHBondContact OE1-CD1 3.43Å; E296-F588 WeakPolarHBondContact OE1-CE1 3.43Å; E296-F588 WeakPolarHBondContact OE2-CD1 3.21Å; E296-F588 WeakPolarHBondContact OE2-CE1 3.46Å; E296-L589 HydrophobicContact CB-CD1 4.04Å; E296-L589 HydrophobicContact CG-CD1 4.33Å; E296-L589 WeakPolarHBondContact OE2-CD1 3.36Å; E296-L589 WeakPolarHBondContact OE2-CG 3.48Å; E296-F592 WeakPolarHBondContact OE1-CZ 3.47Å; E296-R594 IonicContact OE1-NH2 3.01Å; E296-R594 PolarHBondContact OE1-NH2 2.89Å; E296-R594 VanDerWaalsContact OE1-NH2 3.1Å
297	V	88.6	Confident	86.9	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-55.2	-53.7	167.4	166.7	0	0	0	0	109.6	I259 L262 A263 I279 A293 I294 A299 C300 C301	I259-V297 HydrophobicContact CG2-CG2 3.55Å; I259-V297 VanDerWaalsContact O-CG2 3.28Å; I259-V297 WeakPolarHBondContact O-CG2 3.37Å; L262-V297 HydrophobicContact CD2-CG1 3.96Å; L262-V297 HydrophobicContact CG-CG1 4.33Å; A263-V297 HydrophobicContact CB-CG2 3.77Å; I279-V297 HydrophobicContact CG2-CG1 4.42Å; A293-V297 PolarHBondContact O-N 2.67Å; I294-V297 WeakPolarHBondContact O-CB 3.34Å; I294-V297 PolarHBondContact O-N 3.1Å; V297-A299 VanDerWaalsContact C-N 3.3Å; V297-A299 PolarHBondContact O-N 2.96Å; V297-C300 CarbonylContact O-C 3.53Å; V297-C300 WeakPolarHBondContact O-CA 3.08Å; V297-C300 PolarHBondContact O-N 2.93Å; V297-C301 PolarHBondContact O-N 3.41Å; V297-C301 PolarHBondContact O-SG 3.5Å
298	L	90.8	Very high	87.2	Confident	1 Å²	1	30.7 Å²	30.7	1%	0.005	16%	0.156	C	C	.	.	H	α-helix	trans	-57.4	-41.8	179.3	-69.6	173.5	0	0	0	112.1	L276 I279 Y280 L283 I294 C300 C301 T312 L316 L337	L276-L298 HydrophobicContact CD2-CD2 4.17Å; I279-L298 HydrophobicContact CG2-CD2 3.74Å; I279-L298 HydrophobicContact CG2-CG 4.1Å; Y280-L298 HydrophobicContact CD1-CD2 4.34Å; Y280-L298 HydrophobicContact CE1-CD2 3.93Å; L283-L298 HydrophobicContact CD1-CD1 3.95Å; L283-L298 HydrophobicContact CD2-CD1 4.3Å; L283-L298 HydrophobicContact CG-CD1 4.38Å; I294-L298 HydrophobicContact CG2-CD1 4.16Å; I294-L298 HydrophobicContact CG2-CG 4.41Å; I294-L298 WeakPolarHBondContact O-CG 3.48Å; I294-L298 PolarHBondContact O-N 3.39Å; L298-C300 PolarHBondContact O-N 3.31Å; L298-C301 PolarHBondContact O-N 3.33Å; L298-T312 HydrophobicContact CB-CG2 4.42Å; L298-T312 HydrophobicContact CD1-CG2 4.31Å; L298-T312 HydrophobicContact CD2-CG2 4.15Å; L298-L316 HydrophobicContact CD1-CD2 4.33Å; L298-L337 VanDerWaalsContact O-CD2 3.24Å; L298-L337 WeakPolarHBondContact O-CD2 3.48Å
299	A	88.4	Confident	87.7	Confident	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-60.8	-26.8	175.9	0	0	0	0	0	113.6	R295 E296 V297 Q336	R295-A299 WeakPolarHBondContact O-CB 3.28Å; R295-A299 PolarHBondContact O-N 3.24Å; E296-A299 PolarHBondContact O-N 3.31Å; V297-A299 VanDerWaalsContact C-N 3.3Å; V297-A299 PolarHBondContact O-N 2.96Å; A299-Q336 HydrophobicContact CB-CB 3.82Å; A299-Q336 HydrophobicContact CB-CG 4.41Å
300	C	86.1	Confident	88	Confident	19 Å²	19	28.9 Å²	28.9	13%	0.128	14%	0.14	C	C	.	.	H	α-helix	trans	-100.6	-9.5	-177.7	-63.7	0	0	0	0	114.4	C266 E296 V297 L298 R340	C266-C300 HydrophobicContact CB-CB 4.12Å; E296-C300 PolarHBondContact O-N 2.77Å; E296-C300 PolarHBondContact O-SG 3.48Å; E296-C300 VanDerWaalsContact O-SG 3.33Å; V297-C300 CarbonylContact O-C 3.53Å; V297-C300 WeakPolarHBondContact O-CA 3.08Å; V297-C300 PolarHBondContact O-N 2.93Å; L298-C300 PolarHBondContact O-N 3.31Å; C300-R340 VanDerWaalsContact C-NH2 3.31Å; C300-R340 PolarHBondContact O-NH2 3.1Å
301	C	86.2	Confident	88.2	Confident	0 Å²	0	31 Å²	31	0%	0	15%	0.151	C	C	.	.			trans	-63.7	149.4	-179.6	-73.1	0	0	0	0	112.9	C266 V271 V297 L298 L303 R340	C266-C301 VanDerWaalsContact SG-SG 3.64Å; V271-C301 HydrophobicContact CG2-CB 4.32Å; V297-C301 PolarHBondContact O-N 3.41Å; V297-C301 PolarHBondContact O-SG 3.5Å; L298-C301 PolarHBondContact O-N 3.33Å; C301-L303 HydrophobicContact CB-CD2 4.07Å; C301-R340 PolarHBondContact O-NH2 3.15Å
302	R	85.6	Confident	88.4	Confident	137 Å²	137	30.4 Å²	30.4	52%	0.517	15%	0.148	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	112.4	160.5	-65.3	-174.6	-175.7	-161.3	4.3	107.7	P267 V271	P267-R302 PolarHBondContact O-NE 2.96Å; P267-R302 PolarHBondContact O-NH2 3.39Å; V271-R302 PolarHBondContact N-O 3.02Å
303	L	87.1	Confident	88.7	Confident	14 Å²	14	29.5 Å²	29.5	7%	0.073	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	141.9	178.6	-54.5	-178.9	0	0	0	109.8	L276 C301 C308 L309 L341 L344	L276-L303 HydrophobicContact CD1-CD2 3.94Å; L276-L303 HydrophobicContact CD2-CD2 3.85Å; L276-L303 HydrophobicContact CG-CD2 4.48Å; C301-L303 HydrophobicContact CB-CD2 4.07Å; L303-C308 HydrophobicContact CB-CB 4.1Å; L303-L309 HydrophobicContact CD1-CB 3.91Å; L303-L309 HydrophobicContact CD1-CD1 4.01Å; L303-L341 HydrophobicContact CB-CD1 4.32Å; L303-L341 HydrophobicContact CD1-CD1 3.67Å; L303-L341 HydrophobicContact CG-CD1 3.86Å; L303-L344 HydrophobicContact CB-CD1 4.22Å
304	E	84.6	Confident	88.8	Confident	118 Å²	118	32.2 Å²	32.2	55%	0.551	16%	0.158	S	C	*	.	S	Bend	trans	-76.2	-33.5	-176.7	-65.5	177.2	175.7	0	0	113.2
305	S	87.1	Confident	88.8	Confident	43 Å²	43	32.9 Å²	32.9	30%	0.301	16%	0.164	S	C	.	.	S	Bend	trans	-141.3	162.2	-172.2	68.8	0	0	0	0	113.2	F307 C308 L309	S305-F307 PolarHBondContact O-N 3.31Å; S305-C308 WeakPolarHBondContact O-CB 3.12Å; S305-C308 PolarHBondContact O-N 2.9Å; S305-C308 PolarHBondContact OG-N 3.39Å; S305-C308 PolarHBondContact OG-SG 3.5Å; S305-L309 PolarHBondContact O-N 3.23Å
306	S	88.7	Confident	88.9	Confident	42 Å²	42	32.8 Å²	32.8	29%	0.294	16%	0.164	S	C	.	.	H	α-helix	trans	-61.2	-35	171	52.3	0	0	0	0	111.4	C308 L309 E310 L348	S306-C308 VanDerWaalsContact C-N 3.34Å; S306-C308 PolarHBondContact O-N 3.39Å; S306-L309 WeakPolarHBondContact O-CB 3.45Å; S306-L309 PolarHBondContact O-N 3.17Å; S306-L309 VanDerWaalsContact O-N 3.09Å; S306-E310 PolarHBondContact O-N 2.77Å; S306-L348 WeakPolarHBondContact O-CD1 3.29Å
307	F	89.4	Confident	89.2	Confident	97 Å²	97	33 Å²	33	43%	0.425	17%	0.166	S	C	.	.	H	α-helix	trans	-59.1	-42.4	174.7	-179.3	-110.5	0	0	0	112.5	S305 L309 E310 L311	S305-F307 PolarHBondContact O-N 3.31Å; F307-L309 VanDerWaalsContact C-N 3.26Å; F307-L309 PolarHBondContact O-N 2.91Å; F307-E310 WeakPolarHBondContact O-CB 3.16Å; F307-E310 PolarHBondContact O-N 3.01Å; F307-E310 VanDerWaalsContact O-N 3.17Å; F307-L311 HydrophobicContact CD1-CD1 3.96Å; F307-L311 HydrophobicContact CD1-CG 4.41Å; F307-L311 HydrophobicContact CE1-CD1 3.5Å; F307-L311 HydrophobicContact CE1-CG 4.07Å; F307-L311 HydrophobicContact CE2-CG 4.44Å; F307-L311 HydrophobicContact CZ-CD1 3.93Å; F307-L311 HydrophobicContact CZ-CD2 4.13Å; F307-L311 HydrophobicContact CZ-CG 4.07Å; F307-L311 WeakPolarHBondContact O-CG 3.18Å; F307-L311 PolarHBondContact O-N 3.33Å
308	C	90.1	Very high	89.3	Confident	3 Å²	3	37.7 Å²	37.7	2%	0.02	19%	0.191	C	C	.	.	H	α-helix	trans	-60.9	-36.1	175	-68.1	0	0	0	0	112.4	L276 Y280 L303 S305 S306 T312	L276-C308 HydrophobicContact CD1-CB 3.67Å; Y280-C308 PolarHBondContact OH-O 2.71Å; L303-C308 HydrophobicContact CB-CB 4.1Å; S305-C308 WeakPolarHBondContact O-CB 3.12Å; S305-C308 PolarHBondContact O-N 2.9Å; S305-C308 PolarHBondContact OG-N 3.39Å; S305-C308 PolarHBondContact OG-SG 3.5Å; S306-C308 VanDerWaalsContact C-N 3.34Å; S306-C308 PolarHBondContact O-N 3.39Å; C308-T312 WeakPolarHBondContact O-CB 3.34Å; C308-T312 PolarHBondContact O-N 3.43Å; C308-T312 PolarHBondContact O-OG1 3.1Å
309	L	91.7	Very high	89.2	Confident	2 Å²	2	38 Å²	38	1%	0.01	19%	0.192	C	C	.	.	H	α-helix	trans	-67.8	-40.6	176	177.7	63	0	0	0	111.7	L303 S305 S306 F307 T312 L313 L341 L344 V345 L348	L303-L309 HydrophobicContact CD1-CB 3.91Å; L303-L309 HydrophobicContact CD1-CD1 4.01Å; S305-L309 PolarHBondContact O-N 3.23Å; S306-L309 WeakPolarHBondContact O-CB 3.45Å; S306-L309 PolarHBondContact O-N 3.17Å; S306-L309 VanDerWaalsContact O-N 3.09Å; F307-L309 VanDerWaalsContact C-N 3.26Å; F307-L309 PolarHBondContact O-N 2.91Å; L309-T312 PolarHBondContact O-N 3.36Å; L309-L313 WeakPolarHBondContact O-CB 3.03Å; L309-L313 PolarHBondContact O-N 3.13Å; L309-L341 HydrophobicContact CD1-CD1 4.27Å; L309-L344 HydrophobicContact CD2-CB 4.06Å; L309-V345 HydrophobicContact CD2-CB 4.45Å; L309-V345 HydrophobicContact CD2-CG2 3.56Å; L309-L348 HydrophobicContact CB-CD1 4.37Å; L309-L348 HydrophobicContact CD2-CD1 4.1Å; L309-L348 HydrophobicContact CG-CD1 4.34Å
310	E	90.8	Very high	89.2	Confident	78 Å²	78	38.2 Å²	38.2	36%	0.364	19%	0.194	S	C	.	.	H	α-helix	trans	-62.5	-46	174.5	-169.4	-173.8	171.4	0	0	111.4	S306 F307 T312 L313 N314 L348	S306-E310 PolarHBondContact O-N 2.77Å; F307-E310 WeakPolarHBondContact O-CB 3.16Å; F307-E310 PolarHBondContact O-N 3.01Å; F307-E310 VanDerWaalsContact O-N 3.17Å; E310-T312 VanDerWaalsContact C-N 3.32Å; E310-T312 PolarHBondContact O-N 3.41Å; E310-L313 PolarHBondContact O-N 3.07Å; E310-N314 WeakPolarHBondContact O-CB 3.06Å; E310-N314 VanDerWaalsContact O-CG 3.32Å; E310-N314 PolarHBondContact O-N 3.17Å; E310-N314 PolarHBondContact O-ND2 3.36Å; E310-L348 HydrophobicContact CB-CD1 4.45Å
311	L	89.3	Confident	89.2	Confident	45 Å²	45	41 Å²	41	24%	0.236	22%	0.218	C	C	.	.	H	α-helix	trans	-58.5	-43.7	174	-70.8	179.6	0	0	0	112.1	E273 Y280 F307 L313 N314 A315	E273-L311 HydrophobicContact CG-CD1 4.34Å; Y280-L311 HydrophobicContact CE2-CB 4.12Å; F307-L311 HydrophobicContact CD1-CD1 3.96Å; F307-L311 HydrophobicContact CD1-CG 4.41Å; F307-L311 HydrophobicContact CE1-CD1 3.5Å; F307-L311 HydrophobicContact CE1-CG 4.07Å; F307-L311 HydrophobicContact CE2-CG 4.44Å; F307-L311 HydrophobicContact CZ-CD1 3.93Å; F307-L311 HydrophobicContact CZ-CD2 4.13Å; F307-L311 HydrophobicContact CZ-CG 4.07Å; F307-L311 WeakPolarHBondContact O-CG 3.18Å; F307-L311 PolarHBondContact O-N 3.33Å; L311-L313 VanDerWaalsContact C-N 3.33Å; L311-L313 PolarHBondContact O-N 3.12Å; L311-N314 PolarHBondContact O-N 3.25Å; L311-A315 WeakPolarHBondContact O-CB 3.04Å; L311-A315 PolarHBondContact O-N 3.06Å
312	T	92.1	Very high	89.3	Confident	1 Å²	1	48.8 Å²	48.8	1%	0.006	25%	0.248	C	C	.	.	H	α-helix	trans	-60.8	-45.1	177.3	-60	0	0	0	0	110.6	Y280 L298 C308 L309 E310 A315 L316 L337	Y280-T312 WeakPolarHBondContact OH-CA 3.43Å; Y280-T312 PolarHBondContact OH-N 3.44Å; Y280-T312 VanDerWaalsContact OH-N 3.17Å; Y280-T312 PolarHBondContact OH-OG1 3.05Å; L298-T312 HydrophobicContact CB-CG2 4.42Å; L298-T312 HydrophobicContact CD1-CG2 4.31Å; L298-T312 HydrophobicContact CD2-CG2 4.15Å; C308-T312 WeakPolarHBondContact O-CB 3.34Å; C308-T312 PolarHBondContact O-N 3.43Å; C308-T312 PolarHBondContact O-OG1 3.1Å; L309-T312 PolarHBondContact O-N 3.36Å; E310-T312 VanDerWaalsContact C-N 3.32Å; E310-T312 PolarHBondContact O-N 3.41Å; T312-A315 PolarHBondContact O-N 2.93Å; T312-L316 HydrophobicContact CG2-CD1 4.26Å; T312-L316 VanDerWaalsContact O-CG 3.31Å; T312-L316 WeakPolarHBondContact O-CG 2.9Å; T312-L316 PolarHBondContact O-N 3.25Å; T312-L337 HydrophobicContact CG2-CD1 3.9Å
313	L	91.8	Very high	89.3	Confident	3 Å²	3	43.8 Å²	43.8	2%	0.016	23%	0.231	C	C	.	.	H	α-helix	trans	-66.2	-41.6	179.8	-173.8	62.2	0	0	0	111.9	L309 E310 L311 A315 L316 T317 L352 K374 L377	L309-L313 WeakPolarHBondContact O-CB 3.03Å; L309-L313 PolarHBondContact O-N 3.13Å; E310-L313 PolarHBondContact O-N 3.07Å; L311-L313 VanDerWaalsContact C-N 3.33Å; L311-L313 PolarHBondContact O-N 3.12Å; L313-A315 VanDerWaalsContact C-N 3.33Å; L313-A315 PolarHBondContact O-N 3.33Å; L313-L316 PolarHBondContact O-N 3.22Å; L313-T317 WeakPolarHBondContact O-CG2 3.31Å; L313-T317 PolarHBondContact O-N 3.25Å; L313-T317 PolarHBondContact O-OG1 2.84Å; L313-L352 HydrophobicContact CD2-CD1 4.11Å; L313-L352 HydrophobicContact CD2-CD2 3.31Å; L313-L352 HydrophobicContact CD2-CG 4.32Å; L313-K374 HydrophobicContact CD1-CG 4.49Å; L313-K374 HydrophobicContact CD2-CG 4.01Å; L313-K374 HydrophobicContact CG-CG 4.44Å; L313-L377 HydrophobicContact CD1-CD2 4.3Å; L313-L377 HydrophobicContact CD2-CD2 3.85Å
314	N	90.8	Very high	89.1	Confident	59 Å²	59	47 Å²	47	32%	0.316	25%	0.253	S	S	.	.	H	α-helix	trans	-61.9	-41.4	175.1	-73.5	-25.2	0	0	0	111.4	E310 L311 T317 N318	E310-N314 WeakPolarHBondContact O-CB 3.06Å; E310-N314 VanDerWaalsContact O-CG 3.32Å; E310-N314 PolarHBondContact O-N 3.17Å; E310-N314 PolarHBondContact O-ND2 3.36Å; L311-N314 PolarHBondContact O-N 3.25Å; N314-T317 WeakPolarHBondContact CA-OG1 3.35Å; N314-T317 PolarHBondContact O-N 2.8Å; N314-T317 PolarHBondContact O-OG1 2.91Å; N314-N318 WeakPolarHBondContact O-CB 3.16Å; N314-N318 PolarHBondContact O-N 3.25Å; N314-N318 PolarHBondContact O-ND2 3.48Å
315	A	91.4	Very high	89	Confident	15 Å²	15	46.5 Å²	46.5	12%	0.124	25%	0.251	C	S	.	.	H	α-helix	trans	-62.3	-43.2	174.6	0	0	0	0	0	111.9	Y280 L283 L311 T312 L313 N318 N319	Y280-A315 HydrophobicContact CD1-CB 3.79Å; Y280-A315 HydrophobicContact CD2-CB 4.26Å; Y280-A315 HydrophobicContact CE1-CB 4.16Å; Y280-A315 HydrophobicContact CG-CB 3.86Å; L283-A315 HydrophobicContact CD1-CB 3.95Å; L311-A315 WeakPolarHBondContact O-CB 3.04Å; L311-A315 PolarHBondContact O-N 3.06Å; T312-A315 PolarHBondContact O-N 2.93Å; L313-A315 VanDerWaalsContact C-N 3.33Å; L313-A315 PolarHBondContact O-N 3.33Å; A315-N318 PolarHBondContact O-N 2.88Å; A315-N319 PolarHBondContact O-N 3.41Å
316	L	92.5	Very high	88.9	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-63.6	-42.1	175.3	-71.4	173.2	0	0	0	112.6	L283 R295 L298 T312 L313 N319 L320 V330 C333 L337	L283-L316 HydrophobicContact CD1-CD2 4.45Å; R295-L316 HydrophobicContact CG-CD2 3.94Å; L298-L316 HydrophobicContact CD1-CD2 4.33Å; T312-L316 HydrophobicContact CG2-CD1 4.26Å; T312-L316 VanDerWaalsContact O-CG 3.31Å; T312-L316 WeakPolarHBondContact O-CG 2.9Å; T312-L316 PolarHBondContact O-N 3.25Å; L313-L316 PolarHBondContact O-N 3.22Å; L316-N319 WeakPolarHBondContact O-CB 3.43Å; L316-N319 PolarHBondContact O-N 3.01Å; L316-L320 PolarHBondContact O-N 2.7Å; L316-V330 HydrophobicContact CB-CG1 3.92Å; L316-V330 HydrophobicContact CD2-CG1 4.33Å; L316-V330 HydrophobicContact CD2-CG2 4.45Å; L316-C333 HydrophobicContact CD1-CB 4.47Å; L316-L337 HydrophobicContact CD1-CD1 4Å
317	T	90.3	Very high	88.8	Confident	15 Å²	15	47.2 Å²	47.2	9%	0.092	24%	0.244	C	C	.	.	H	α-helix	trans	-69.1	-34.5	176.6	52.1	0	0	0	0	112.4	L313 N314 N319 L320 A321 C370	L313-T317 WeakPolarHBondContact O-CG2 3.31Å; L313-T317 PolarHBondContact O-N 3.25Å; L313-T317 PolarHBondContact O-OG1 2.84Å; N314-T317 WeakPolarHBondContact CA-OG1 3.35Å; N314-T317 PolarHBondContact O-N 2.8Å; N314-T317 PolarHBondContact O-OG1 2.91Å; T317-N319 VanDerWaalsContact C-N 3.34Å; T317-L320 WeakPolarHBondContact O-CB 3.45Å; T317-L320 PolarHBondContact O-N 3.2Å; T317-A321 PolarHBondContact O-N 3.09Å; T317-A321 VanDerWaalsContact O-N 3.1Å; T317-C370 HydrophobicContact CG2-CB 4.06Å
318	N	90.4	Very high	88.6	Confident	100 Å²	100	47.3 Å²	47.3	54%	0.535	24%	0.244	S	C	.	.	H	α-helix	trans	-66.8	-37.6	173.4	-72.3	-20.7	0	0	0	111.5	N314 A315 A321 R322	N314-N318 WeakPolarHBondContact O-CB 3.16Å; N314-N318 PolarHBondContact O-N 3.25Å; N314-N318 PolarHBondContact O-ND2 3.48Å; A315-N318 PolarHBondContact O-N 2.88Å; N318-A321 PolarHBondContact O-N 3.24Å; N318-R322 PolarHBondContact O-N 2.88Å
319	N	88.6	Confident	88.4	Confident	6 Å²	6	48.2 Å²	48.2	3%	0.032	25%	0.25	C	S	.	.	H	α-helix	trans	-62.7	-42.9	171.9	174.8	-109	0	0	0	111.4	L283 R295 A315 L316 T317 A321 R322 N323	L283-N319 HydrophobicContact CB-CB 4.44Å; L283-N319 PolarHBondContact O-ND2 3.03Å; R295-N319 PolarHBondContact NH1-OD1 3.45Å; A315-N319 PolarHBondContact O-N 3.41Å; L316-N319 WeakPolarHBondContact O-CB 3.43Å; L316-N319 PolarHBondContact O-N 3.01Å; T317-N319 VanDerWaalsContact C-N 3.34Å; N319-A321 VanDerWaalsContact C-N 3.29Å; N319-A321 PolarHBondContact O-N 3.35Å; N319-R322 PolarHBondContact O-N 2.81Å; N319-R322 VanDerWaalsContact O-N 3.16Å; N319-N323 PolarHBondContact O-N 2.93Å
320	L	88.7	Confident	88.3	Confident	5 Å²	5	48.1 Å²	48.1	3%	0.026	25%	0.25	C	C	.	.	H	α-helix	trans	-59.2	-37.4	174.4	-73.8	174.4	0	0	0	113.6	L316 T317 R322 K327 V330 P369 A373	L316-L320 PolarHBondContact O-N 2.7Å; T317-L320 WeakPolarHBondContact O-CB 3.45Å; T317-L320 PolarHBondContact O-N 3.2Å; L320-R322 VanDerWaalsContact C-N 3.32Å; L320-K327 HydrophobicContact CD2-CB 4.12Å; L320-V330 HydrophobicContact CD1-CB 4.32Å; L320-V330 HydrophobicContact CD1-CG1 3.69Å; L320-V330 HydrophobicContact CD2-CB 3.77Å; L320-V330 HydrophobicContact CD2-CG1 4.07Å; L320-V330 HydrophobicContact CD2-CG2 3.76Å; L320-V330 HydrophobicContact CG-CB 4.04Å; L320-V330 HydrophobicContact CG-CG1 3.8Å; L320-V330 HydrophobicContact CG-CG2 3.97Å; L320-P369 HydrophobicContact CD1-CB 4.48Å; L320-A373 HydrophobicContact CD1-CB 4.16Å
321	A	86.5	Confident	88.2	Confident	78 Å²	78	45.9 Å²	45.9	65%	0.645	24%	0.238	S	C	*	.	H	α-helix	trans	-68.4	-32	178.7	0	0	0	0	0	112.4	T317 N318 N319	T317-A321 PolarHBondContact O-N 3.09Å; T317-A321 VanDerWaalsContact O-N 3.1Å; N318-A321 PolarHBondContact O-N 3.24Å; N319-A321 VanDerWaalsContact C-N 3.29Å; N319-A321 PolarHBondContact O-N 3.35Å
322	R	87	Confident	88.2	Confident	163 Å²	163	45.3 Å²	45.3	62%	0.615	24%	0.235	S	C	*	.	H	α-helix	trans	-86.3	-39.5	178.6	-67.3	-179.7	-178.1	-175	1	112.9	V284 N318 N319 L320	V284-R322 VanDerWaalsContact CG1-NH1 3.3Å; N318-R322 PolarHBondContact O-N 2.88Å; N319-R322 PolarHBondContact O-N 2.81Å; N319-R322 VanDerWaalsContact O-N 3.16Å; L320-R322 VanDerWaalsContact C-N 3.32Å
323	N	85.7	Confident	88.1	Confident	32 Å²	32	45.4 Å²	45.4	17%	0.171	24%	0.236	C	C	.	.			trans	-128.9	77.6	-173	-64.8	101.1	0	0	0	110.5	N319 E325 D326	N319-N323 PolarHBondContact O-N 2.93Å; N323-E325 VanDerWaalsContact CA-OE2 3.28Å; N323-E325 WeakPolarHBondContact CA-OE2 3.26Å; N323-E325 VanDerWaalsContact CB-OE1 3.3Å; N323-E325 WeakPolarHBondContact CB-OE1 3.43Å; N323-E325 PolarHBondContact ND2-OE1 2.64Å; N323-E325 PolarHBondContact O-N 3.24Å; N323-E325 VanDerWaalsContact O-N 3.12Å; N323-D326 HydrophobicContact CB-CB 4.47Å; N323-D326 PolarHBondContact O-N 2.93Å
324	P	84.7	Confident	88.1	Confident	83 Å²	83	45.3 Å²	45.3	54%	0.539	24%	0.236	S	C	.	.	G	3₁₀ helix	trans	-60.3	-21	179.5	-23.2	34.7	0	0	0	114.2	D326 K327	P324-D326 PolarHBondContact O-N 2.81Å; P324-K327 WeakPolarHBondContact O-CB 3.44Å; P324-K327 PolarHBondContact O-N 2.84Å
325	E	82	Confident	88.2	Confident	106 Å²	106	45.4 Å²	45.4	50%	0.495	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	-61.1	-29	174.1	64.6	-83.3	-167.7	0	0	112.9	R291 N323 K327	R291-E325 IonicContact NH2-OE1 2.67Å; R291-E325 PolarHBondContact NH2-OE1 3.46Å; N323-E325 VanDerWaalsContact CA-OE2 3.28Å; N323-E325 WeakPolarHBondContact CA-OE2 3.26Å; N323-E325 VanDerWaalsContact CB-OE1 3.3Å; N323-E325 WeakPolarHBondContact CB-OE1 3.43Å; N323-E325 PolarHBondContact ND2-OE1 2.64Å; N323-E325 PolarHBondContact O-N 3.24Å; N323-E325 VanDerWaalsContact O-N 3.12Å; E325-K327 PolarHBondContact O-N 2.78Å
326	D	85	Confident	88.1	Confident	15 Å²	15	47.1 Å²	47.1	8%	0.08	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-81	6.1	-176.4	-72.7	-31.1	0	0	0	113.4	R291 R295 N323 P324 F328 S329 V330	R291-D326 IonicContact CZ-OD2 2.79Å; R291-D326 IonicContact NE-OD2 3.05Å; R291-D326 PolarHBondContact NE-OD2 2.95Å; R291-D326 IonicContact NH2-OD1 2.83Å; R291-D326 IonicContact NH2-OD2 3.77Å; R291-D326 PolarHBondContact NH2-OD2 2.87Å; R295-D326 VanDerWaalsContact CZ-CG 3.5Å; R295-D326 IonicContact CZ-OD1 3.14Å; R295-D326 IonicContact CZ-OD2 2.67Å; R295-D326 IonicContact NH1-OD1 2.61Å; R295-D326 IonicContact NH1-OD2 3.67Å; R295-D326 PolarHBondContact NH1-OD2 3.47Å; R295-D326 IonicContact NH2-OD1 3.23Å; R295-D326 PolarHBondContact NH2-OD1 2.93Å; R295-D326 IonicContact NH2-OD2 3.53Å; R295-D326 PolarHBondContact NH2-OD2 2.9Å; N323-D326 HydrophobicContact CB-CB 4.47Å; N323-D326 PolarHBondContact O-N 2.93Å; P324-D326 PolarHBondContact O-N 2.81Å; D326-F328 VanDerWaalsContact C-N 3.35Å; D326-F328 PolarHBondContact O-N 2.67Å; D326-S329 WeakPolarHBondContact O-CB 3.34Å; D326-S329 PolarHBondContact O-N 3.08Å; D326-V330 HydrophobicContact CB-CG2 4.45Å; D326-V330 PolarHBondContact O-N 2.79Å
327	K	86.2	Confident	88.1	Confident	85 Å²	85	47.2 Å²	47.2	37%	0.37	24%	0.239	S	C	.	.	H	α-helix	trans	-49.5	-47.7	-171.5	69.2	-173.3	-176.5	-176.6	0	114.8	L320 P324 E325 V330 W331	L320-K327 HydrophobicContact CD2-CB 4.12Å; P324-K327 WeakPolarHBondContact O-CB 3.44Å; P324-K327 PolarHBondContact O-N 2.84Å; E325-K327 PolarHBondContact O-N 2.78Å; K327-V330 PolarHBondContact O-N 3.22Å; K327-W331 HydrophobicContact CB-CZ2 4.5Å; K327-W331 WeakPolarHBondContact O-CB 3.35Å; K327-W331 PolarHBondContact O-N 3.39Å
328	F	84.2	Confident	88.1	Confident	99 Å²	99	46.5 Å²	46.5	43%	0.434	24%	0.235	S	C	.	.	H	α-helix	trans	-71.9	-35	-176.8	-68.3	-69.1	0	0	0	112	D326 W331 N332	D326-F328 VanDerWaalsContact C-N 3.35Å; D326-F328 PolarHBondContact O-N 2.67Å; F328-W331 AromaticContact CD1-CE3 3.84Å; F328-W331 HydrophobicContact CD1-CE3 3.84Å; F328-W331 AromaticContact CD1-CZ3 3.92Å; F328-W331 HydrophobicContact CD1-CZ3 3.92Å; F328-W331 HydrophobicContact CE1-CE3 4.21Å; F328-W331 AromaticContact CE1-CZ3 3.82Å; F328-W331 HydrophobicContact CE1-CZ3 3.82Å; F328-W331 PolarHBondContact O-N 3.34Å; F328-N332 WeakPolarHBondContact O-CB 3.01Å; F328-N332 PolarHBondContact O-N 3.33Å
329	S	85.9	Confident	88	Confident	22 Å²	22	43.7 Å²	43.7	15%	0.154	22%	0.223	C	C	.	.	H	α-helix	trans	-67.1	-44	177.4	-172.3	0	0	0	0	110.4	R295 D326 N332 C333	R295-S329 PolarHBondContact NE-OG 2.92Å; D326-S329 WeakPolarHBondContact O-CB 3.34Å; D326-S329 PolarHBondContact O-N 3.08Å; S329-N332 PolarHBondContact O-N 2.9Å; S329-C333 PolarHBondContact O-N 2.82Å
330	V	90.1	Very high	88	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-62.6	-45.8	174.6	173.6	0	0	0	0	111.8	L316 L320 D326 K327 N332 C333 A334 A373	L316-V330 HydrophobicContact CB-CG1 3.92Å; L316-V330 HydrophobicContact CD2-CG1 4.33Å; L316-V330 HydrophobicContact CD2-CG2 4.45Å; L320-V330 HydrophobicContact CD1-CB 4.32Å; L320-V330 HydrophobicContact CD1-CG1 3.69Å; L320-V330 HydrophobicContact CD2-CB 3.77Å; L320-V330 HydrophobicContact CD2-CG1 4.07Å; L320-V330 HydrophobicContact CD2-CG2 3.76Å; L320-V330 HydrophobicContact CG-CB 4.04Å; L320-V330 HydrophobicContact CG-CG1 3.8Å; L320-V330 HydrophobicContact CG-CG2 3.97Å; D326-V330 HydrophobicContact CB-CG2 4.45Å; D326-V330 PolarHBondContact O-N 2.79Å; K327-V330 PolarHBondContact O-N 3.22Å; V330-N332 VanDerWaalsContact C-N 3.3Å; V330-N332 PolarHBondContact O-N 2.79Å; V330-C333 WeakPolarHBondContact O-CB 3.45Å; V330-C333 PolarHBondContact O-N 3.4Å; V330-A334 PolarHBondContact O-N 3.34Å; V330-A373 HydrophobicContact CG1-CB 4.44Å
331	W	89.7	Confident	88	Confident	32 Å²	32	49.2 Å²	49.2	12%	0.121	25%	0.245	C	C	.	.	H	α-helix	trans	-62.5	-37.5	176.8	-66.8	-14.2	0	0	0	112.6	K327 F328 A334 K335 P369 I372 I376 L410	K327-W331 HydrophobicContact CB-CZ2 4.5Å; K327-W331 WeakPolarHBondContact O-CB 3.35Å; K327-W331 PolarHBondContact O-N 3.39Å; F328-W331 AromaticContact CD1-CE3 3.84Å; F328-W331 HydrophobicContact CD1-CE3 3.84Å; F328-W331 AromaticContact CD1-CZ3 3.92Å; F328-W331 HydrophobicContact CD1-CZ3 3.92Å; F328-W331 HydrophobicContact CE1-CE3 4.21Å; F328-W331 AromaticContact CE1-CZ3 3.82Å; F328-W331 HydrophobicContact CE1-CZ3 3.82Å; F328-W331 PolarHBondContact O-N 3.34Å; W331-A334 PolarHBondContact O-N 2.79Å; W331-K335 WeakPolarHBondContact O-CB 3.28Å; W331-K335 PolarHBondContact O-N 3.1Å; W331-P369 HydrophobicContact CZ2-CB 4.2Å; W331-P369 PolarHBondContact NE1-O 2.99Å; W331-P369 VanDerWaalsContact NE1-O 3.15Å; W331-I372 HydrophobicContact CD2-CG2 4.24Å; W331-I372 HydrophobicContact CH2-CG2 4.41Å; W331-I372 HydrophobicContact CZ2-CB 4.15Å; W331-I372 HydrophobicContact CZ2-CG2 3.83Å; W331-I376 HydrophobicContact CB-CD1 3.74Å; W331-I376 HydrophobicContact CD2-CD1 4.14Å; W331-I376 HydrophobicContact CG-CD1 3.74Å; W331-L410 HydrophobicContact CB-CD1 3.89Å; W331-L410 HydrophobicContact CB-CD2 4.41Å; W331-L410 HydrophobicContact CE3-CD1 3.85Å
332	N	87.9	Confident	88.1	Confident	32 Å²	32	46.8 Å²	46.8	17%	0.171	22%	0.223	C	C	.	.	H	α-helix	trans	-67.4	-37.7	174.7	-171.5	56	0	0	0	112	F328 S329 V330 K335 Q336 L410	F328-N332 WeakPolarHBondContact O-CB 3.01Å; F328-N332 PolarHBondContact O-N 3.33Å; S329-N332 PolarHBondContact O-N 2.9Å; V330-N332 VanDerWaalsContact C-N 3.3Å; V330-N332 PolarHBondContact O-N 2.79Å; N332-K335 WeakPolarHBondContact O-CB 3.47Å; N332-K335 PolarHBondContact O-N 3.05Å; N332-Q336 PolarHBondContact ND2-NE2 2.62Å; N332-Q336 WeakPolarHBondContact O-CG 3.19Å; N332-Q336 PolarHBondContact O-N 3.2Å; N332-Q336 VanDerWaalsContact O-N 3.11Å; N332-L410 HydrophobicContact CB-CD2 4.18Å
333	C	90.9	Very high	88.2	Confident	3 Å²	3	41.7 Å²	41.7	2%	0.02	22%	0.221	C	C	.	.	H	α-helix	trans	-61.3	-49.5	171.6	-178.6	0	0	0	0	111.2	R295 L316 S329 V330 K335 Q336 L337	R295-C333 HydrophobicContact CB-CB 4.29Å; R295-C333 PolarHBondContact O-SG 3.49Å; L316-C333 HydrophobicContact CD1-CB 4.47Å; S329-C333 PolarHBondContact O-N 2.82Å; V330-C333 WeakPolarHBondContact O-CB 3.45Å; V330-C333 PolarHBondContact O-N 3.4Å; C333-K335 VanDerWaalsContact C-N 3.33Å; C333-K335 PolarHBondContact O-N 3.23Å; C333-Q336 PolarHBondContact O-N 2.76Å; C333-Q336 VanDerWaalsContact O-N 3.11Å; C333-L337 WeakPolarHBondContact O-CG 3.28Å; C333-L337 PolarHBondContact O-N 2.91Å
334	A	91.9	Very high	88.3	Confident	1 Å²	1	42.3 Å²	42.3	1%	0.008	22%	0.224	C	C	.	.	H	α-helix	trans	-58.6	-42.1	177.5	0	0	0	0	0	112.3	V330 W331 Q336 G338 L377	V330-A334 PolarHBondContact O-N 3.34Å; W331-A334 PolarHBondContact O-N 2.79Å; A334-Q336 PolarHBondContact O-N 3.4Å; A334-G338 PolarHBondContact O-N 3.02Å; A334-L377 HydrophobicContact CB-CB 4.36Å; A334-L377 VanDerWaalsContact O-CD1 3.25Å; A334-L377 WeakPolarHBondContact O-CD1 3.46Å
335	K	91.8	Very high	88.6	Confident	61 Å²	61	38.3 Å²	38.3	27%	0.265	20%	0.198	S	C	.	.	H	α-helix	trans	-55.5	-50.2	172.5	173.5	-155	177.7	177.2	0	111.8	W331 N332 C333 G338 S339 I376 N380 T409 L410	W331-K335 WeakPolarHBondContact O-CB 3.28Å; W331-K335 PolarHBondContact O-N 3.1Å; N332-K335 WeakPolarHBondContact O-CB 3.47Å; N332-K335 PolarHBondContact O-N 3.05Å; C333-K335 VanDerWaalsContact C-N 3.33Å; C333-K335 PolarHBondContact O-N 3.23Å; K335-G338 PolarHBondContact O-N 3.42Å; K335-S339 PolarHBondContact O-N 3.13Å; K335-S339 PolarHBondContact O-OG 3.1Å; K335-I376 HydrophobicContact CB-CG2 3.84Å; K335-N380 WeakPolarHBondContact CG-OD1 3.17Å; K335-N380 WeakPolarHBondContact O-CB 3.47Å; K335-T409 VanDerWaalsContact CE-O 3.32Å; K335-T409 WeakPolarHBondContact CE-O 3.36Å; K335-T409 PolarHBondContact NZ-O 3.26Å; K335-L410 HydrophobicContact CD-CD2 4.27Å; K335-L410 WeakPolarHBondContact CG-O 3.36Å
336	Q	90	Very high	88.8	Confident	52 Å²	52	36.7 Å²	36.7	24%	0.243	19%	0.193	C	C	.	.	H	α-helix	trans	-65.4	-46.7	-177.1	-73.1	-172.5	64.3	0	0	111.8	A299 N332 C333 A334 G338 S339 R340	A299-Q336 HydrophobicContact CB-CB 3.82Å; A299-Q336 HydrophobicContact CB-CG 4.41Å; N332-Q336 PolarHBondContact ND2-NE2 2.62Å; N332-Q336 WeakPolarHBondContact O-CG 3.19Å; N332-Q336 PolarHBondContact O-N 3.2Å; N332-Q336 VanDerWaalsContact O-N 3.11Å; C333-Q336 PolarHBondContact O-N 2.76Å; C333-Q336 VanDerWaalsContact O-N 3.11Å; A334-Q336 PolarHBondContact O-N 3.4Å; Q336-G338 VanDerWaalsContact C-N 3.32Å; Q336-G338 PolarHBondContact O-N 2.87Å; Q336-S339 PolarHBondContact O-N 2.88Å; Q336-S339 PolarHBondContact O-OG 2.98Å; Q336-R340 PolarHBondContact O-N 3.46Å; Q336-R340 VanDerWaalsContact O-N 3.1Å
337	L	91.8	Very high	88.9	Confident	2 Å²	2	39.8 Å²	39.8	1%	0.01	21%	0.214	C	C	.	.	H	α-helix	trans	-53.3	-49	173.4	-73.5	171.8	0	0	0	111.1	L298 T312 L316 C333 S339 R340 L341 L377	L298-L337 VanDerWaalsContact O-CD2 3.24Å; L298-L337 WeakPolarHBondContact O-CD2 3.48Å; T312-L337 HydrophobicContact CG2-CD1 3.9Å; L316-L337 HydrophobicContact CD1-CD1 4Å; C333-L337 WeakPolarHBondContact O-CG 3.28Å; C333-L337 PolarHBondContact O-N 2.91Å; L337-S339 PolarHBondContact O-N 3.35Å; L337-R340 PolarHBondContact O-N 2.88Å; L337-L341 HydrophobicContact CD2-CD1 3.86Å; L337-L341 WeakPolarHBondContact O-CB 3.48Å; L337-L341 PolarHBondContact O-N 2.92Å; L337-L377 HydrophobicContact CB-CD1 3.64Å
338	G	90.5	Very high	89	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-65	-39	-178.4	0	0	0	0	0	112.9	A334 K335 Q336 R340 L377 A381	A334-G338 PolarHBondContact O-N 3.02Å; K335-G338 PolarHBondContact O-N 3.42Å; Q336-G338 VanDerWaalsContact C-N 3.32Å; Q336-G338 PolarHBondContact O-N 2.87Å; G338-R340 VanDerWaalsContact C-N 3.34Å; G338-R340 PolarHBondContact O-N 3.4Å; G338-L377 WeakPolarHBondContact CA-O 3.4Å; G338-A381 WeakPolarHBondContact O-CA 3.34Å; G338-A381 PolarHBondContact O-N 2.82Å
339	S	89.7	Confident	89.1	Confident	40 Å²	40	31.8 Å²	31.8	28%	0.28	18%	0.18	S	C	.	.	H	α-helix	trans	-69.3	-29.6	178.9	70.4	0	0	0	0	113.8	K335 Q336 L337 H384	K335-S339 PolarHBondContact O-N 3.13Å; K335-S339 PolarHBondContact O-OG 3.1Å; Q336-S339 PolarHBondContact O-N 2.88Å; Q336-S339 PolarHBondContact O-OG 2.98Å; L337-S339 PolarHBondContact O-N 3.35Å; S339-H384 PolarHBondContact O-CD2 2.68Å
340	R	89	Confident	88.9	Confident	106 Å²	106	33.2 Å²	33.2	40%	0.4	19%	0.189	S	C	.	.	H	α-helix	trans	-95.7	-40.5	-175.8	-73	172.1	45.7	130.3	-0.3	113	C300 C301 Q336 L337 G338	C300-R340 VanDerWaalsContact C-NH2 3.31Å; C300-R340 PolarHBondContact O-NH2 3.1Å; C301-R340 PolarHBondContact O-NH2 3.15Å; Q336-R340 PolarHBondContact O-N 3.46Å; Q336-R340 VanDerWaalsContact O-N 3.1Å; L337-R340 PolarHBondContact O-N 2.88Å; G338-R340 VanDerWaalsContact C-N 3.34Å; G338-R340 PolarHBondContact O-N 3.4Å
341	L	88.6	Confident	88.7	Confident	22 Å²	22	38.9 Å²	38.9	12%	0.115	22%	0.22	C	C	.	.			trans	-103.6	34.3	-172.8	-55.6	177.1	0	0	0	111.6	L303 L309 L337 G343 L344 V345	L303-L341 HydrophobicContact CB-CD1 4.32Å; L303-L341 HydrophobicContact CD1-CD1 3.67Å; L303-L341 HydrophobicContact CG-CD1 3.86Å; L309-L341 HydrophobicContact CD1-CD1 4.27Å; L337-L341 HydrophobicContact CD2-CD1 3.86Å; L337-L341 WeakPolarHBondContact O-CB 3.48Å; L337-L341 PolarHBondContact O-N 2.92Å; L341-G343 PolarHBondContact O-N 3.31Å; L341-G343 VanDerWaalsContact O-N 3.1Å; L341-L344 HydrophobicContact CB-CB 4.47Å; L341-L344 HydrophobicContact CB-CD1 4.44Å; L341-L344 HydrophobicContact CD2-CD1 4.3Å; L341-L344 PolarHBondContact O-N 3.45Å; L341-V345 WeakPolarHBondContact O-CG2 3.43Å; L341-V345 PolarHBondContact O-N 3.05Å
342	S	88.5	Confident	88.3	Confident	26 Å²	26	38.2 Å²	38.2	18%	0.182	22%	0.218	C	C	.	.	H	α-helix	trans	-57.4	-30.4	-175.6	60.5	0	0	0	0	113.4	L346	S342-L346 PolarHBondContact O-N 3.05Å
343	G	87.6	Confident	88	Confident	57 Å²	57	36.9 Å²	36.9	59%	0.588	21%	0.211	S	C	*	.	H	α-helix	trans	-67.8	-35.6	175.4	0	0	0	0	0	114	L341	L341-G343 PolarHBondContact O-N 3.31Å; L341-G343 VanDerWaalsContact O-N 3.1Å
344	L	89.2	Confident	87.3	Confident	44 Å²	44	40.3 Å²	40.3	23%	0.23	24%	0.239	C	C	.	.	H	α-helix	trans	-80.3	-23.8	178.3	-61.9	179.9	0	0	0	112.5	L303 L309 L341 P347	L303-L344 HydrophobicContact CB-CD1 4.22Å; L309-L344 HydrophobicContact CD2-CB 4.06Å; L341-L344 HydrophobicContact CB-CB 4.47Å; L341-L344 HydrophobicContact CB-CD1 4.44Å; L341-L344 HydrophobicContact CD2-CD1 4.3Å; L341-L344 PolarHBondContact O-N 3.45Å; L344-P347 WeakPolarHBondContact O-CD 3.32Å; L344-P347 WeakPolarHBondContact O-CG 3.49Å
345	V	90.1	Very high	86.5	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-74.8	-32.7	177.7	177.4	0	0	0	0	111.9	L309 L341 L348 A349 L377 V378 A381 I388	L309-V345 HydrophobicContact CD2-CB 4.45Å; L309-V345 HydrophobicContact CD2-CG2 3.56Å; L341-V345 WeakPolarHBondContact O-CG2 3.43Å; L341-V345 PolarHBondContact O-N 3.05Å; V345-L348 CarbonylContact O-C 3.56Å; V345-L348 PolarHBondContact O-N 3.32Å; V345-A349 PolarHBondContact O-N 2.95Å; V345-L377 HydrophobicContact CG2-CG 4.33Å; V345-V378 HydrophobicContact CG1-CG2 4.35Å; V345-A381 HydrophobicContact CB-CB 3.69Å; V345-A381 HydrophobicContact CG1-CB 3.57Å; V345-A381 HydrophobicContact CG2-CB 3.93Å; V345-I388 HydrophobicContact CG1-CD1 4.24Å
346	L	86.5	Confident	85	Confident	71 Å²	71	43.2 Å²	43.2	37%	0.372	25%	0.253	S	S	.	.	G	3₁₀ helix	trans	-49.8	-52.1	-176.8	178.3	63.6	0	0	0	114	S342 L348 A349 T387 I388	S342-L346 PolarHBondContact O-N 3.05Å; L346-L348 PolarHBondContact O-N 3.26Å; L346-A349 PolarHBondContact O-N 3.17Å; L346-T387 HydrophobicContact CD1-CG2 4.29Å; L346-I388 HydrophobicContact CB-CG1 4.47Å; L346-I388 HydrophobicContact CD1-CD1 4.49Å; L346-I388 HydrophobicContact CD1-CG1 3.61Å
347	P	87.3	Confident	83.5	Confident	81 Å²	81	46 Å²	46	53%	0.526	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-67.1	-24.6	178.8	26.5	-35.7	0	0	0	113.6	L344	L344-P347 WeakPolarHBondContact O-CD 3.32Å; L344-P347 WeakPolarHBondContact O-CG 3.49Å
348	L	88.4	Confident	82	Confident	13 Å²	13	55.4 Å²	55.4	7%	0.068	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-90.8	-12.7	-177.3	-63.8	173	0	0	0	113.3	S306 L309 E310 V345 L346 C350 D351 L352	S306-L348 WeakPolarHBondContact O-CD1 3.29Å; L309-L348 HydrophobicContact CB-CD1 4.37Å; L309-L348 HydrophobicContact CD2-CD1 4.1Å; L309-L348 HydrophobicContact CG-CD1 4.34Å; E310-L348 HydrophobicContact CB-CD1 4.45Å; V345-L348 CarbonylContact O-C 3.56Å; V345-L348 PolarHBondContact O-N 3.32Å; L346-L348 PolarHBondContact O-N 3.26Å; L348-C350 VanDerWaalsContact C-N 3.3Å; L348-C350 PolarHBondContact O-N 3.2Å; L348-D351 PolarHBondContact O-N 2.95Å; L348-D351 VanDerWaalsContact O-N 3.14Å; L348-L352 HydrophobicContact CB-CD1 3.88Å; L348-L352 HydrophobicContact CB-CG 4.02Å; L348-L352 WeakPolarHBondContact O-CB 3.09Å; L348-L352 WeakPolarHBondContact O-CG 3.33Å; L348-L352 PolarHBondContact O-N 3.27Å
349	A	85.4	Confident	80.6	Confident	2 Å²	2	63.7 Å²	63.7	2%	0.017	35%	0.345	C	S	.	.	H	α-helix	trans	-58.2	-40.3	-167.6	0	0	0	0	0	113.3	V345 L346 L353 V378 I388	V345-A349 PolarHBondContact O-N 2.95Å; L346-A349 PolarHBondContact O-N 3.17Å; A349-L353 WeakPolarHBondContact O-CB 3.26Å; A349-L353 WeakPolarHBondContact O-CG 3.47Å; A349-L353 PolarHBondContact O-N 3.1Å; A349-V378 HydrophobicContact CB-CG1 4.35Å; A349-I388 HydrophobicContact CB-CG2 4.07Å
350	C	83.3	Confident	79.4	Confident	53 Å²	53	69.9 Å²	69.9	36%	0.358	37%	0.37	S	S	.	.	H	α-helix	trans	-68	-45.9	177.3	-64.6	0	0	0	0	111.7	L348 L352 L353 A354 F355	L348-C350 VanDerWaalsContact C-N 3.3Å; L348-C350 PolarHBondContact O-N 3.2Å; C350-L352 PolarHBondContact O-N 2.99Å; C350-L353 CarbonylContact O-C 3.56Å; C350-L353 PolarHBondContact O-N 2.89Å; C350-A354 PolarHBondContact O-N 3.26Å; C350-F355 HydrophobicContact CB-CB 4.25Å; C350-F355 PolarHBondContact O-N 3.19Å
351	D	84.2	Confident	78.3	Confident	119 Å²	119	66.9 Å²	66.9	64%	0.636	37%	0.372	S	S	*	.	H	α-helix	trans	-64.7	-41.2	-179.5	-61	-25	0	0	0	111.4	L348 L353 A354	L348-D351 PolarHBondContact O-N 2.95Å; L348-D351 VanDerWaalsContact O-N 3.14Å; D351-L353 VanDerWaalsContact C-N 3.34Å; D351-L353 PolarHBondContact O-N 3.23Å; D351-A354 PolarHBondContact O-N 3.22Å; D351-A354 VanDerWaalsContact O-N 3.09Å
352	L	83	Confident	77.5	Confident	17 Å²	17	72.4 Å²	72.4	9%	0.089	41%	0.407	C	S	.	.	H	α-helix	trans	-66	-34.9	178.7	-70.3	179.7	0	0	0	113.3	L313 L348 C350 A354 L377 V378	L313-L352 HydrophobicContact CD2-CD1 4.11Å; L313-L352 HydrophobicContact CD2-CD2 3.31Å; L313-L352 HydrophobicContact CD2-CG 4.32Å; L348-L352 HydrophobicContact CB-CD1 3.88Å; L348-L352 HydrophobicContact CB-CG 4.02Å; L348-L352 WeakPolarHBondContact O-CB 3.09Å; L348-L352 WeakPolarHBondContact O-CG 3.33Å; L348-L352 PolarHBondContact O-N 3.27Å; C350-L352 PolarHBondContact O-N 2.99Å; L352-A354 VanDerWaalsContact C-N 3.27Å; L352-L377 HydrophobicContact CD1-CD2 3.88Å; L352-V378 HydrophobicContact CB-CG2 4.31Å; L352-V378 HydrophobicContact CD1-CG2 4.18Å
353	L	81.6	Confident	77.1	Confident	5 Å²	5	76.6 Å²	76.6	3%	0.026	42%	0.424	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	4.4	175.6	-63.3	177.7	0	0	0	112.6	A349 C350 D351 F355 L375 V378 F392 T396	A349-L353 WeakPolarHBondContact O-CB 3.26Å; A349-L353 WeakPolarHBondContact O-CG 3.47Å; A349-L353 PolarHBondContact O-N 3.1Å; C350-L353 CarbonylContact O-C 3.56Å; C350-L353 PolarHBondContact O-N 2.89Å; D351-L353 VanDerWaalsContact C-N 3.34Å; D351-L353 PolarHBondContact O-N 3.23Å; L353-F355 HydrophobicContact CB-CD1 3.83Å; L353-F355 HydrophobicContact CB-CD2 3.94Å; L353-F355 HydrophobicContact CB-CE1 3.58Å; L353-F355 HydrophobicContact CB-CE2 3.7Å; L353-F355 HydrophobicContact CB-CG 4.01Å; L353-F355 HydrophobicContact CB-CZ 3.53Å; L353-F355 HydrophobicContact CD1-CD2 4.28Å; L353-F355 HydrophobicContact CD1-CE1 4.33Å; L353-F355 HydrophobicContact CD1-CE2 3.39Å; L353-F355 HydrophobicContact CD1-CZ 3.44Å; L353-F355 VanDerWaalsContact CD1-CZ 3.44Å; L353-F355 HydrophobicContact CG-CE2 4.18Å; L353-F355 HydrophobicContact CG-CZ 4.09Å; L353-F355 WeakPolarHBondContact O-CD1 3.37Å; L353-F355 PolarHBondContact O-N 3.31Å; L353-L375 HydrophobicContact CD2-CD1 4.07Å; L353-V378 HydrophobicContact CD1-CG1 3.98Å; L353-V378 HydrophobicContact CD2-CG2 4.44Å; L353-V378 HydrophobicContact CG-CG2 4.33Å; L353-F392 HydrophobicContact CD1-CD1 4.1Å; L353-F392 HydrophobicContact CD1-CE1 3.99Å; L353-T396 HydrophobicContact CD1-CG2 4.5Å
354	A	76	Confident	76.9	Confident	74 Å²	74	75.6 Å²	75.6	61%	0.612	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.3	35.2	-176.7	0	0	0	0	0	113.1	C350 D351 L352 H356	C350-A354 PolarHBondContact O-N 3.26Å; D351-A354 PolarHBondContact O-N 3.22Å; D351-A354 VanDerWaalsContact O-N 3.09Å; L352-A354 VanDerWaalsContact C-N 3.27Å; A354-H356 PolarHBondContact O-N 3.19Å
355	F	74.1	Confident	76.6	Confident	26 Å²	26	81.7 Å²	81.7	11%	0.114	43%	0.431	C	S	.	.			trans	-77.1	109.8	174.6	-62.8	-19.5	0	0	0	109.1	C350 L353 S391 L393 Y395 T396	C350-F355 HydrophobicContact CB-CB 4.25Å; C350-F355 PolarHBondContact O-N 3.19Å; L353-F355 HydrophobicContact CB-CD1 3.83Å; L353-F355 HydrophobicContact CB-CD2 3.94Å; L353-F355 HydrophobicContact CB-CE1 3.58Å; L353-F355 HydrophobicContact CB-CE2 3.7Å; L353-F355 HydrophobicContact CB-CG 4.01Å; L353-F355 HydrophobicContact CB-CZ 3.53Å; L353-F355 HydrophobicContact CD1-CD2 4.28Å; L353-F355 HydrophobicContact CD1-CE1 4.33Å; L353-F355 HydrophobicContact CD1-CE2 3.39Å; L353-F355 HydrophobicContact CD1-CZ 3.44Å; L353-F355 VanDerWaalsContact CD1-CZ 3.44Å; L353-F355 HydrophobicContact CG-CE2 4.18Å; L353-F355 HydrophobicContact CG-CZ 4.09Å; L353-F355 WeakPolarHBondContact O-CD1 3.37Å; L353-F355 PolarHBondContact O-N 3.31Å; F355-S391 WeakPolarHBondContact CD2-O 3.47Å; F355-S391 WeakPolarHBondContact CE2-O 3.4Å; F355-L393 HydrophobicContact CD1-CD1 3.66Å; F355-L393 HydrophobicContact CD1-CG 4.18Å; F355-L393 HydrophobicContact CE1-CB 4.3Å; F355-L393 HydrophobicContact CE1-CD1 3.66Å; F355-L393 HydrophobicContact CE1-CG 3.87Å; F355-L393 HydrophobicContact CG-CD1 4.4Å; F355-L393 HydrophobicContact CZ-CB 4.38Å; F355-L393 HydrophobicContact CZ-CD1 4.38Å; F355-L393 HydrophobicContact CZ-CG 4.09Å; F355-Y395 HydrophobicContact CE1-CE2 4.19Å; F355-Y395 AromaticContact CE1-CZ 3.82Å; F355-Y395 VanDerWaalsContact CE1-OH 3.23Å; F355-Y395 WeakPolarHBondContact CE1-OH 3.37Å; F355-T396 WeakPolarHBondContact CZ-OG1 3.41Å
356	H	61.4	Low	76.1	Confident	97 Å²	97	83.9 Å²	83.9	45%	0.449	44%	0.442	S	S	.	.			trans	-85.4	136.5	170.7	-173.1	-89.2	0	0	0	109.5	A354 Y358 Y359	A354-H356 PolarHBondContact O-N 3.19Å; H356-Y358 AromaticContact CE1-CD2 3.8Å; H356-Y358 PolarHBondContact ND1-N 3.29Å; H356-Y358 PolarHBondContact O-N 2.92Å; H356-Y359 WeakPolarHBondContact CB-O 3.48Å; H356-Y359 AromaticContact CE1-CD2 3.4Å; H356-Y359 WeakPolarHBondContact CE1-CD2 3.47Å; H356-Y359 AromaticContact ND1-CD2 3.36Å; H356-Y359 WeakPolarHBondContact ND1-CD2 3.45Å; H356-Y359 AromaticContact ND1-CG 3.93Å; H356-Y359 PolarHBondContact ND1-N 3.33Å; H356-Y359 PolarHBondContact O-N 3.34Å
357	P	57.7	Low	75.9	Confident	112 Å²	112	87.1 Å²	87.1	73%	0.727	46%	0.46	S	S	*	.	S	Bend	trans	-57.9	-23.3	-176.2	-24.4	32	0	0	0	115
358	Y	59.7	Low	75.9	Confident	198 Å²	198	86.5 Å²	86.5	78%	0.776	45%	0.452	S	S	*	.	S	Bend	trans	-124.2	-12.2	-174.1	-54.3	-75.7	0	0	0	114.9	H356	H356-Y358 AromaticContact CE1-CD2 3.8Å; H356-Y358 PolarHBondContact ND1-N 3.29Å; H356-Y358 PolarHBondContact O-N 2.92Å
359	Y	62.4	Low	75.8	Confident	174 Å²	174	88.2 Å²	88.2	68%	0.682	46%	0.464	S	S	*	.			trans	-130.2	127.9	-173.6	-67.9	-66.7	0	0	0	109.8	H356 G361	H356-Y359 WeakPolarHBondContact CB-O 3.48Å; H356-Y359 AromaticContact CE1-CD2 3.4Å; H356-Y359 WeakPolarHBondContact CE1-CD2 3.47Å; H356-Y359 AromaticContact ND1-CD2 3.36Å; H356-Y359 WeakPolarHBondContact ND1-CD2 3.45Å; H356-Y359 AromaticContact ND1-CG 3.93Å; H356-Y359 PolarHBondContact ND1-N 3.33Å; H356-Y359 PolarHBondContact O-N 3.34Å; Y359-G361 PolarHBondContact O-N 3.13Å
360	E	63	Low	76	Confident	170 Å²	170	89.6 Å²	89.6	79%	0.794	47%	0.473	S	S	*	.			trans	-75.6	109	166.3	-70.7	-174.7	170.5	0	0	108.3
361	G	65.9	Low	76.3	Confident	43 Å²	43	87.8 Å²	87.8	44%	0.443	46%	0.459	S	S	.	.	P	Polyproline II helix	trans	-64.7	163.3	173.8	0	0	0	0	0	112	Y359 E363	Y359-G361 PolarHBondContact O-N 3.13Å; G361-E363 PolarHBondContact O-N 2.99Å
362	T	72	Confident	76.6	Confident	139 Å²	139	82.4 Å²	82.4	85%	0.853	43%	0.43	S	S	*	.	P	Polyproline II helix	trans	-58.3	129.3	173.5	51.5	0	0	0	0	110.3
363	E	80.4	Confident	77	Confident	114 Å²	114	81.6 Å²	81.6	53%	0.533	43%	0.426	S	S	.	.	P	Polyproline II helix	trans	-53.3	122.1	178	-175.1	176.2	-175.9	0	0	110.5	G361 Y395 H399	G361-E363 PolarHBondContact O-N 2.99Å; E363-Y395 HydrophobicContact CG-CD2 4.32Å; E363-Y395 HydrophobicContact CG-CG 4.23Å; E363-Y395 WeakPolarHBondContact OE1-CB 3.4Å; E363-H399 IonicContact OE1-CE1 3.73Å; E363-H399 IonicContact OE1-NE2 3.02Å; E363-H399 PolarHBondContact OE1-NE2 3.19Å
364	P	82.8	Confident	77.5	Confident	35 Å²	35	84.2 Å²	84.2	23%	0.227	44%	0.437	C	S	.	.	P	Polyproline II helix	trans	-66.8	143.1	-179.5	25.2	-32.9	0	0	0	110.8	I366 Y371	P364-I366 PolarHBondContact O-N 2.76Å; P364-Y371 HydrophobicContact CB-CD1 4.06Å; P364-Y371 HydrophobicContact CB-CD2 3.65Å; P364-Y371 HydrophobicContact CB-CE1 4.19Å; P364-Y371 HydrophobicContact CB-CE2 3.8Å; P364-Y371 HydrophobicContact CB-CG 3.8Å; P364-Y371 HydrophobicContact CG-CD1 4.19Å; P364-Y371 HydrophobicContact CG-CD2 3.67Å; P364-Y371 HydrophobicContact CG-CE1 3.8Å; P364-Y371 HydrophobicContact CG-CE2 3.23Å; P364-Y371 HydrophobicContact CG-CG 4.13Å
365	K	82.6	Confident	78.2	Confident	172 Å²	172	80.7 Å²	80.7	75%	0.748	41%	0.408	S	S	*	.	P	Polyproline II helix	trans	-69.5	125.9	-179.3	-64.8	-179.9	-178.4	176.9	0	110.4	N367 D368	K365-N367 PolarHBondContact O-N 2.75Å; K365-D368 WeakPolarHBondContact O-CB 3.49Å; K365-D368 PolarHBondContact O-N 2.8Å
366	I	81.4	Confident	79	Confident	46 Å²	46	79.5 Å²	79.5	24%	0.236	40%	0.403	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-18.7	178.2	-156.2	164.4	0	0	0	114.3	P364 D368 I372 Y402	P364-I366 PolarHBondContact O-N 2.76Å; I366-D368 VanDerWaalsContact C-N 3.31Å; I366-I372 HydrophobicContact CG1-CD1 4.08Å; I366-I372 WeakPolarHBondContact O-CD1 3.15Å; I366-I372 WeakPolarHBondContact O-CG1 3.48Å; I366-Y402 HydrophobicContact CD1-CD1 3.17Å; I366-Y402 HydrophobicContact CD1-CD2 4.16Å; I366-Y402 HydrophobicContact CD1-CE1 3.61Å; I366-Y402 HydrophobicContact CD1-CG 3.46Å; I366-Y402 VanDerWaalsContact CD1-CG 3.46Å; I366-Y402 HydrophobicContact CG1-CD1 3.89Å; I366-Y402 HydrophobicContact CG1-CE1 3.95Å
367	N	80.8	Confident	80.5	Confident	139 Å²	139	74.9 Å²	74.9	74%	0.743	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82	-7.5	177.4	-67.1	-14.2	0	0	0	113.4	K365 P369	K365-N367 PolarHBondContact O-N 2.75Å; N367-P369 VanDerWaalsContact O-CD 3.29Å; N367-P369 WeakPolarHBondContact O-CD 3.26Å
368	D	87.1	Confident	82.1	Confident	69 Å²	69	69.6 Å²	69.6	37%	0.369	35%	0.347	S	S	.	.			trans	-78.9	111.5	178.3	175.6	19.2	0	0	0	110.8	K365 I366 C370 Y371 I372	K365-D368 WeakPolarHBondContact O-CB 3.49Å; K365-D368 PolarHBondContact O-N 2.8Å; I366-D368 VanDerWaalsContact C-N 3.31Å; D368-C370 PolarHBondContact O-N 3.25Å; D368-C370 WeakPolarHBondContact OD1-CB 3.44Å; D368-C370 PolarHBondContact OD1-N 3.39Å; D368-C370 VanDerWaalsContact OD1-N 3.08Å; D368-Y371 PolarHBondContact O-N 3.44Å; D368-Y371 PolarHBondContact OD2-N 3.27Å; D368-I372 WeakPolarHBondContact O-CG1 3.49Å; D368-I372 PolarHBondContact O-N 3.31Å; D368-I372 VanDerWaalsContact O-N 3.09Å
369	P	86.9	Confident	83.6	Confident	49 Å²	49	60.2 Å²	60.2	32%	0.318	31%	0.31	S	S	.	.	H	α-helix	trans	-62.2	-27.7	-178.5	27.1	-35.7	0	0	0	113.2	L320 W331 N367 A373	L320-P369 HydrophobicContact CD1-CB 4.48Å; W331-P369 HydrophobicContact CZ2-CB 4.2Å; W331-P369 PolarHBondContact NE1-O 2.99Å; W331-P369 VanDerWaalsContact NE1-O 3.15Å; N367-P369 VanDerWaalsContact O-CD 3.29Å; N367-P369 WeakPolarHBondContact O-CD 3.26Å; P369-A373 PolarHBondContact O-N 3.49Å
370	C	89.7	Confident	85	Confident	30 Å²	30	52.3 Å²	52.3	20%	0.203	28%	0.28	C	S	.	.	H	α-helix	trans	-69.9	-48.6	178	-69	0	0	0	0	110.9	T317 D368 I372 A373 K374	T317-C370 HydrophobicContact CG2-CB 4.06Å; D368-C370 PolarHBondContact O-N 3.25Å; D368-C370 WeakPolarHBondContact OD1-CB 3.44Å; D368-C370 PolarHBondContact OD1-N 3.39Å; D368-C370 VanDerWaalsContact OD1-N 3.08Å; C370-I372 VanDerWaalsContact C-N 3.33Å; C370-I372 PolarHBondContact O-N 3.41Å; C370-A373 WeakPolarHBondContact O-CB 3.48Å; C370-A373 PolarHBondContact O-N 3.27Å; C370-K374 WeakPolarHBondContact O-CG 3.05Å; C370-K374 PolarHBondContact O-N 3.1Å
371	Y	89.9	Confident	86.4	Confident	15 Å²	15	44.2 Å²	44.2	6%	0.059	24%	0.242	C	C	.	.	H	α-helix	trans	-57.5	-45.2	173.3	173	-110.5	0	0	0	112.1	P364 D368 A373 K374 L375 H399	P364-Y371 HydrophobicContact CB-CD1 4.06Å; P364-Y371 HydrophobicContact CB-CD2 3.65Å; P364-Y371 HydrophobicContact CB-CE1 4.19Å; P364-Y371 HydrophobicContact CB-CE2 3.8Å; P364-Y371 HydrophobicContact CB-CG 3.8Å; P364-Y371 HydrophobicContact CG-CD1 4.19Å; P364-Y371 HydrophobicContact CG-CD2 3.67Å; P364-Y371 HydrophobicContact CG-CE1 3.8Å; P364-Y371 HydrophobicContact CG-CE2 3.23Å; P364-Y371 HydrophobicContact CG-CG 4.13Å; D368-Y371 PolarHBondContact O-N 3.44Å; D368-Y371 PolarHBondContact OD2-N 3.27Å; Y371-A373 VanDerWaalsContact C-N 3.3Å; Y371-A373 PolarHBondContact O-N 2.88Å; Y371-K374 PolarHBondContact O-N 3.19Å; Y371-L375 HydrophobicContact CE1-CD2 4Å; Y371-L375 WeakPolarHBondContact O-CB 3.14Å; Y371-L375 PolarHBondContact O-N 3.48Å; Y371-H399 AromaticContact CE1-CE1 3.86Å; Y371-H399 AromaticContact CE1-ND1 3.43Å; Y371-H399 WeakPolarHBondContact CE1-ND1 3.32Å; Y371-H399 AromaticContact CZ-ND1 3.56Å; Y371-H399 PolarHBondContact OH-ND1 3.29Å
372	I	89.7	Confident	87.5	Confident	6 Å²	6	42.1 Å²	42.1	3%	0.031	22%	0.221	C	C	.	.	H	α-helix	trans	-60.6	-38.9	177.9	-63.8	-52.6	0	0	0	111.6	W331 I366 D368 C370 L375 I376 L403	W331-I372 HydrophobicContact CD2-CG2 4.24Å; W331-I372 HydrophobicContact CH2-CG2 4.41Å; W331-I372 HydrophobicContact CZ2-CB 4.15Å; W331-I372 HydrophobicContact CZ2-CG2 3.83Å; I366-I372 HydrophobicContact CG1-CD1 4.08Å; I366-I372 WeakPolarHBondContact O-CD1 3.15Å; I366-I372 WeakPolarHBondContact O-CG1 3.48Å; D368-I372 WeakPolarHBondContact O-CG1 3.49Å; D368-I372 PolarHBondContact O-N 3.31Å; D368-I372 VanDerWaalsContact O-N 3.09Å; C370-I372 VanDerWaalsContact C-N 3.33Å; C370-I372 PolarHBondContact O-N 3.41Å; I372-L375 PolarHBondContact O-N 3.2Å; I372-I376 HydrophobicContact CG2-CD1 3.67Å; I372-I376 HydrophobicContact CG2-CG1 4.18Å; I372-I376 WeakPolarHBondContact O-CB 3.38Å; I372-I376 WeakPolarHBondContact O-CG1 3.29Å; I372-I376 PolarHBondContact O-N 2.99Å; I372-L403 HydrophobicContact CD1-CD1 4.25Å; I372-L403 HydrophobicContact CD1-CD2 4.13Å; I372-L403 HydrophobicContact CD1-CG 4.5Å; I372-L403 HydrophobicContact CG2-CD1 4.4Å; I372-L403 HydrophobicContact CG2-CD2 3.99Å
373	A	91.5	Very high	88.2	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-61.3	-45.9	175.6	0	0	0	0	0	112.2	L320 V330 P369 C370 Y371 I376 L377	L320-A373 HydrophobicContact CD1-CB 4.16Å; V330-A373 HydrophobicContact CG1-CB 4.44Å; P369-A373 PolarHBondContact O-N 3.49Å; C370-A373 WeakPolarHBondContact O-CB 3.48Å; C370-A373 PolarHBondContact O-N 3.27Å; Y371-A373 VanDerWaalsContact C-N 3.3Å; Y371-A373 PolarHBondContact O-N 2.88Å; A373-I376 PolarHBondContact O-N 3.44Å; A373-L377 PolarHBondContact O-N 2.74Å; A373-L377 VanDerWaalsContact O-N 3.1Å
374	K	91.7	Very high	88.5	Confident	60 Å²	60	40 Å²	40	26%	0.261	20%	0.199	S	C	.	.	H	α-helix	trans	-61.4	-44.4	175.6	-60.6	-174.5	177.9	-177.1	0	111.3	L313 C370 Y371 L377 V378	L313-K374 HydrophobicContact CD1-CG 4.49Å; L313-K374 HydrophobicContact CD2-CG 4.01Å; L313-K374 HydrophobicContact CG-CG 4.44Å; C370-K374 WeakPolarHBondContact O-CG 3.05Å; C370-K374 PolarHBondContact O-N 3.1Å; Y371-K374 PolarHBondContact O-N 3.19Å; K374-L377 WeakPolarHBondContact O-CB 3.13Å; K374-L377 PolarHBondContact O-N 3.16Å; K374-V378 WeakPolarHBondContact O-CG2 3.24Å; K374-V378 PolarHBondContact O-N 3.27Å; K374-V378 VanDerWaalsContact O-N 3.11Å
375	L	91	Very high	88.6	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-64.1	-44.5	179.4	-178	58.4	0	0	0	111.7	L353 Y371 I372 L377 V378 L379 T396 H399 L403	L353-L375 HydrophobicContact CD2-CD1 4.07Å; Y371-L375 HydrophobicContact CE1-CD2 4Å; Y371-L375 WeakPolarHBondContact O-CB 3.14Å; Y371-L375 PolarHBondContact O-N 3.48Å; I372-L375 PolarHBondContact O-N 3.2Å; L375-L377 VanDerWaalsContact C-N 3.33Å; L375-L377 PolarHBondContact O-N 3.45Å; L375-V378 PolarHBondContact O-N 3.15Å; L375-L379 HydrophobicContact CD1-CD1 3.91Å; L375-L379 HydrophobicContact CD1-CD2 4.35Å; L375-L379 HydrophobicContact CD1-CG 3.92Å; L375-L379 HydrophobicContact CD2-CD1 4.41Å; L375-L379 HydrophobicContact CG-CD1 3.7Å; L375-L379 HydrophobicContact CG-CG 4.19Å; L375-L379 WeakPolarHBondContact O-CB 3.4Å; L375-L379 WeakPolarHBondContact O-CG 2.98Å; L375-L379 PolarHBondContact O-N 3.45Å; L375-T396 HydrophobicContact CD1-CG2 3.88Å; L375-H399 HydrophobicContact CD2-CB 3.59Å; L375-L403 HydrophobicContact CD2-CD1 3.65Å; L375-L403 HydrophobicContact CG-CD1 4.12Å
376	I	91	Very high	88.5	Confident	1 Å²	1	34 Å²	34	1%	0.005	18%	0.178	C	C	.	.	H	α-helix	trans	-59.2	-43.2	175.8	-70.8	170.9	0	0	0	111	W331 K335 I372 A373 N380 L403 L410 V411	W331-I376 HydrophobicContact CB-CD1 3.74Å; W331-I376 HydrophobicContact CD2-CD1 4.14Å; W331-I376 HydrophobicContact CG-CD1 3.74Å; K335-I376 HydrophobicContact CB-CG2 3.84Å; I372-I376 HydrophobicContact CG2-CD1 3.67Å; I372-I376 HydrophobicContact CG2-CG1 4.18Å; I372-I376 WeakPolarHBondContact O-CB 3.38Å; I372-I376 WeakPolarHBondContact O-CG1 3.29Å; I372-I376 PolarHBondContact O-N 2.99Å; A373-I376 PolarHBondContact O-N 3.44Å; I376-N380 WeakPolarHBondContact O-CB 3.31Å; I376-N380 PolarHBondContact O-N 2.89Å; I376-N380 PolarHBondContact O-ND2 2.93Å; I376-L403 HydrophobicContact CG1-CD1 4.43Å; I376-L410 HydrophobicContact CD1-CB 4.31Å; I376-L410 HydrophobicContact CD1-CD1 4.21Å; I376-V411 HydrophobicContact CG1-CG2 4.31Å
377	L	92.8	Very high	88.5	Confident	1 Å²	1	35.9 Å²	35.9	1%	0.005	19%	0.192	C	C	.	.	H	α-helix	trans	-56.4	-52.7	176.1	-179.5	78	0	0	0	110.9	L313 A334 L337 G338 V345 L352 A373 K374 L375 N380 A381	L313-L377 HydrophobicContact CD1-CD2 4.3Å; L313-L377 HydrophobicContact CD2-CD2 3.85Å; A334-L377 HydrophobicContact CB-CB 4.36Å; A334-L377 VanDerWaalsContact O-CD1 3.25Å; A334-L377 WeakPolarHBondContact O-CD1 3.46Å; L337-L377 HydrophobicContact CB-CD1 3.64Å; G338-L377 WeakPolarHBondContact CA-O 3.4Å; V345-L377 HydrophobicContact CG2-CG 4.33Å; L352-L377 HydrophobicContact CD1-CD2 3.88Å; A373-L377 PolarHBondContact O-N 2.74Å; A373-L377 VanDerWaalsContact O-N 3.1Å; K374-L377 WeakPolarHBondContact O-CB 3.13Å; K374-L377 PolarHBondContact O-N 3.16Å; L375-L377 VanDerWaalsContact C-N 3.33Å; L375-L377 PolarHBondContact O-N 3.45Å; L377-N380 PolarHBondContact O-N 2.92Å; L377-A381 PolarHBondContact O-N 3.4Å
378	V	92.3	Very high	88.7	Confident	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-66.5	-41.8	-177.4	179.8	0	0	0	0	111.8	V345 A349 L352 L353 K374 L375 N380 A381 A382 I388 F392	V345-V378 HydrophobicContact CG1-CG2 4.35Å; A349-V378 HydrophobicContact CB-CG1 4.35Å; L352-V378 HydrophobicContact CB-CG2 4.31Å; L352-V378 HydrophobicContact CD1-CG2 4.18Å; L353-V378 HydrophobicContact CD1-CG1 3.98Å; L353-V378 HydrophobicContact CD2-CG2 4.44Å; L353-V378 HydrophobicContact CG-CG2 4.33Å; K374-V378 WeakPolarHBondContact O-CG2 3.24Å; K374-V378 PolarHBondContact O-N 3.27Å; K374-V378 VanDerWaalsContact O-N 3.11Å; L375-V378 PolarHBondContact O-N 3.15Å; V378-N380 VanDerWaalsContact C-N 3.32Å; V378-N380 PolarHBondContact O-N 2.96Å; V378-A381 PolarHBondContact O-N 2.88Å; V378-A382 VanDerWaalsContact O-CB 3.32Å; V378-A382 WeakPolarHBondContact O-CB 3.27Å; V378-A382 PolarHBondContact O-N 3.31Å; V378-I388 HydrophobicContact CG1-CG2 3.53Å; V378-F392 HydrophobicContact CG1-CE1 3.69Å; V378-F392 HydrophobicContact CG1-CZ 3.99Å
379	L	91.4	Very high	88.5	Confident	1 Å²	1	27 Å²	27	1%	0.005	14%	0.144	C	C	.	.	H	α-helix	trans	-63.7	-36.4	177	-68	170.7	0	0	0	112.2	L375 F392 Y400 L403 V411 P412 L414	L375-L379 HydrophobicContact CD1-CD1 3.91Å; L375-L379 HydrophobicContact CD1-CD2 4.35Å; L375-L379 HydrophobicContact CD1-CG 3.92Å; L375-L379 HydrophobicContact CD2-CD1 4.41Å; L375-L379 HydrophobicContact CG-CD1 3.7Å; L375-L379 HydrophobicContact CG-CG 4.19Å; L375-L379 WeakPolarHBondContact O-CB 3.4Å; L375-L379 WeakPolarHBondContact O-CG 2.98Å; L375-L379 PolarHBondContact O-N 3.45Å; L379-F392 HydrophobicContact CD2-CE2 3.96Å; L379-F392 HydrophobicContact CD2-CZ 4.14Å; L379-Y400 HydrophobicContact CD1-CD2 4Å; L379-Y400 HydrophobicContact CD2-CD2 3.75Å; L379-Y400 HydrophobicContact CD2-CG 4.28Å; L379-Y400 HydrophobicContact CG-CD2 4.43Å; L379-L403 HydrophobicContact CD1-CD1 4.32Å; L379-V411 HydrophobicContact CB-CG1 4.37Å; L379-V411 HydrophobicContact CD1-CG1 3.87Å; L379-V411 HydrophobicContact CD1-CG2 4.38Å; L379-P412 WeakPolarHBondContact O-CG 3.48Å; L379-L414 HydrophobicContact CD2-CD1 3.67Å
380	N	91.6	Very high	88.2	Confident	8 Å²	8	29.4 Å²	29.4	4%	0.043	16%	0.162	C	C	.	.	H	α-helix	trans	-71.3	-36.5	175.3	-81	-82.9	0	0	0	112.5	K335 I376 L377 V378 L410 P412	K335-N380 WeakPolarHBondContact CG-OD1 3.17Å; K335-N380 WeakPolarHBondContact O-CB 3.47Å; I376-N380 WeakPolarHBondContact O-CB 3.31Å; I376-N380 PolarHBondContact O-N 2.89Å; I376-N380 PolarHBondContact O-ND2 2.93Å; L377-N380 PolarHBondContact O-N 2.92Å; V378-N380 VanDerWaalsContact C-N 3.32Å; V378-N380 PolarHBondContact O-N 2.96Å; N380-L410 PolarHBondContact ND2-O 3.39Å; N380-P412 WeakPolarHBondContact OD1-CD 3.48Å
381	A	91.5	Very high	87.6	Confident	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-66.6	-40.1	172.6	0	0	0	0	0	112.5	G338 V345 L377 V378 K383 H384 C385 I388	G338-A381 WeakPolarHBondContact O-CA 3.34Å; G338-A381 PolarHBondContact O-N 2.82Å; V345-A381 HydrophobicContact CB-CB 3.69Å; V345-A381 HydrophobicContact CG1-CB 3.57Å; V345-A381 HydrophobicContact CG2-CB 3.93Å; L377-A381 PolarHBondContact O-N 3.4Å; V378-A381 PolarHBondContact O-N 2.88Å; A381-K383 PolarHBondContact O-N 3.18Å; A381-H384 PolarHBondContact O-N 3.15Å; A381-C385 PolarHBondContact O-N 3.07Å; A381-I388 HydrophobicContact CB-CD1 3.69Å
382	A	89.3	Confident	87.3	Confident	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-60.7	-26.8	-179.4	0	0	0	0	0	113.5	V378 H384 C385 I388 M389 F392 L414	V378-A382 VanDerWaalsContact O-CB 3.32Å; V378-A382 WeakPolarHBondContact O-CB 3.27Å; V378-A382 PolarHBondContact O-N 3.31Å; A382-H384 VanDerWaalsContact C-N 3.27Å; A382-H384 PolarHBondContact O-N 3.04Å; A382-C385 WeakPolarHBondContact CA-O 3.25Å; A382-C385 CarbonylContact O-C 3.33Å; A382-I388 HydrophobicContact CB-CB 4.11Å; A382-I388 HydrophobicContact CB-CG2 3.99Å; A382-M389 HydrophobicContact CB-CG 3.83Å; A382-F392 HydrophobicContact CB-CE2 4.27Å; A382-F392 HydrophobicContact CB-CZ 3.88Å; A382-L414 HydrophobicContact CB-CD1 4.4Å; A382-L414 HydrophobicContact CB-CD2 4.15Å
383	K	87.3	Confident	86.9	Confident	103 Å²	103	32 Å²	32	45%	0.448	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-37.6	173.5	-171.7	-165.9	-176.9	-179.9	0	112.3	A381 P412 L414	A381-K383 PolarHBondContact O-N 3.18Å; K383-P412 HydrophobicContact CB-CB 4.29Å; K383-P412 HydrophobicContact CB-CG 4.11Å; K383-P412 HydrophobicContact CD-CB 3.75Å; K383-P412 HydrophobicContact CD-CG 4.42Å; K383-P412 HydrophobicContact CG-CB 4.25Å; K383-L414 HydrophobicContact CB-CD2 4.01Å
384	H	86.6	Confident	86.2	Confident	105 Å²	105	38.6 Å²	38.6	49%	0.486	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.9	-27	-176.6	-67.8	-79.5	0	0	0	112.3	S339 A381 A382	S339-H384 PolarHBondContact O-CD2 2.68Å; A381-H384 PolarHBondContact O-N 3.15Å; A382-H384 VanDerWaalsContact C-N 3.27Å; A382-H384 PolarHBondContact O-N 3.04Å
385	C	84.3	Confident	85.8	Confident	19 Å²	19	37.4 Å²	37.4	13%	0.128	21%	0.206	C	C	.	.			trans	-120.4	93.2	175.6	-170.1	0	0	0	0	110.3	A381 A382 T387 I388	A381-C385 PolarHBondContact O-N 3.07Å; A382-C385 WeakPolarHBondContact CA-O 3.25Å; A382-C385 CarbonylContact O-C 3.33Å; C385-T387 PolarHBondContact O-N 2.96Å; C385-T387 VanDerWaalsContact O-N 3.15Å; C385-I388 HydrophobicContact CB-CD1 3.91Å; C385-I388 HydrophobicContact CB-CG1 4.13Å; C385-I388 WeakPolarHBondContact O-CB 3.43Å; C385-I388 PolarHBondContact O-N 3.22Å; C385-I388 VanDerWaalsContact O-N 3.14Å
386	P	80.4	Confident	85.5	Confident	62 Å²	62	37.5 Å²	37.5	40%	0.403	21%	0.206	S	C	.	.	G	3₁₀ helix	trans	-63.8	-19.9	-177.3	25	-33.4	0	0	0	113.3	I388 M389	P386-I388 PolarHBondContact O-N 2.96Å; P386-M389 VanDerWaalsContact O-CB 3.28Å; P386-M389 WeakPolarHBondContact O-CB 3.24Å; P386-M389 PolarHBondContact O-N 2.85Å
387	T	82.7	Confident	85.2	Confident	85 Å²	85	40.5 Å²	40.5	52%	0.521	22%	0.218	S	C	.	.	G	3₁₀ helix	trans	-60	-27.6	174.4	-42.8	0	0	0	0	112.9	L346 C385 M389 S390	L346-T387 HydrophobicContact CD1-CG2 4.29Å; C385-T387 PolarHBondContact O-N 2.96Å; C385-T387 VanDerWaalsContact O-N 3.15Å; T387-M389 PolarHBondContact O-N 3.02Å; T387-S390 PolarHBondContact O-N 2.78Å; T387-S390 PolarHBondContact O-OG 3.16Å
388	I	83.8	Confident	84.7	Confident	1 Å²	1	45.7 Å²	45.7	1%	0.005	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-66.8	-31.6	174.7	-62.3	176.4	0	0	0	110.5	V345 L346 A349 V378 A381 A382 C385 P386 S390 S391 F392	V345-I388 HydrophobicContact CG1-CD1 4.24Å; L346-I388 HydrophobicContact CB-CG1 4.47Å; L346-I388 HydrophobicContact CD1-CD1 4.49Å; L346-I388 HydrophobicContact CD1-CG1 3.61Å; A349-I388 HydrophobicContact CB-CG2 4.07Å; V378-I388 HydrophobicContact CG1-CG2 3.53Å; A381-I388 HydrophobicContact CB-CD1 3.69Å; A382-I388 HydrophobicContact CB-CB 4.11Å; A382-I388 HydrophobicContact CB-CG2 3.99Å; C385-I388 HydrophobicContact CB-CD1 3.91Å; C385-I388 HydrophobicContact CB-CG1 4.13Å; C385-I388 WeakPolarHBondContact O-CB 3.43Å; C385-I388 PolarHBondContact O-N 3.22Å; C385-I388 VanDerWaalsContact O-N 3.14Å; P386-I388 PolarHBondContact O-N 2.96Å; I388-S390 VanDerWaalsContact C-N 3.26Å; I388-S390 PolarHBondContact O-N 2.65Å; I388-S391 PolarHBondContact O-N 2.97Å; I388-S391 PolarHBondContact O-OG 3.44Å; I388-F392 HydrophobicContact CG2-CE1 3.7Å; I388-F392 HydrophobicContact CG2-CZ 3.92Å; I388-F392 WeakPolarHBondContact O-CD1 3.36Å; I388-F392 WeakPolarHBondContact O-CE1 3.42Å
389	M	83.7	Confident	84.5	Confident	20 Å²	20	46.2 Å²	46.2	10%	0.099	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-68.9	-26.6	-177.5	-56.8	176.5	61.7	0	0	112.4	A382 P386 T387 S391 F392 W397 L414 I418	A382-M389 HydrophobicContact CB-CG 3.83Å; P386-M389 VanDerWaalsContact O-CB 3.28Å; P386-M389 WeakPolarHBondContact O-CB 3.24Å; P386-M389 PolarHBondContact O-N 2.85Å; T387-M389 PolarHBondContact O-N 3.02Å; M389-S391 PolarHBondContact O-N 2.99Å; M389-F392 HydrophobicContact CG-CE2 4.34Å; M389-F392 PolarHBondContact O-N 3.28Å; M389-W397 HydrophobicContact CE-CH2 3.62Å; M389-W397 HydrophobicContact CE-CZ2 4.13Å; M389-L414 HydrophobicContact CE-CB 3.89Å; M389-I418 HydrophobicContact CE-CD1 3.6Å; M389-I418 HydrophobicContact CE-CG1 3.69Å
390	S	79.8	Confident	84.3	Confident	100 Å²	100	46.2 Å²	46.2	70%	0.699	25%	0.248	S	C	*	.	G	3₁₀ helix	trans	-71.1	-17.1	177.5	44.3	0	0	0	0	114	T387 I388	T387-S390 PolarHBondContact O-N 2.78Å; T387-S390 PolarHBondContact O-OG 3.16Å; I388-S390 VanDerWaalsContact C-N 3.26Å; I388-S390 PolarHBondContact O-N 2.65Å
391	S	78.1	Confident	83.9	Confident	36 Å²	36	49 Å²	49	25%	0.252	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	-89.2	-4.6	176	64	0	0	0	0	113.5	F355 I388 M389 L393	F355-S391 WeakPolarHBondContact CD2-O 3.47Å; F355-S391 WeakPolarHBondContact CE2-O 3.4Å; I388-S391 PolarHBondContact O-N 2.97Å; I388-S391 PolarHBondContact O-OG 3.44Å; M389-S391 PolarHBondContact O-N 2.99Å; S391-L393 PolarHBondContact O-N 3.33Å
392	F	82.7	Confident	83.4	Confident	19 Å²	19	54.4 Å²	54.4	8%	0.083	28%	0.282	C	S	.	.			trans	-72.4	125.9	-175.2	-68.8	-9	0	0	0	112.9	L353 V378 L379 A382 I388 M389 T396 W397 L414	L353-F392 HydrophobicContact CD1-CD1 4.1Å; L353-F392 HydrophobicContact CD1-CE1 3.99Å; V378-F392 HydrophobicContact CG1-CE1 3.69Å; V378-F392 HydrophobicContact CG1-CZ 3.99Å; L379-F392 HydrophobicContact CD2-CE2 3.96Å; L379-F392 HydrophobicContact CD2-CZ 4.14Å; A382-F392 HydrophobicContact CB-CE2 4.27Å; A382-F392 HydrophobicContact CB-CZ 3.88Å; I388-F392 HydrophobicContact CG2-CE1 3.7Å; I388-F392 HydrophobicContact CG2-CZ 3.92Å; I388-F392 WeakPolarHBondContact O-CD1 3.36Å; I388-F392 WeakPolarHBondContact O-CE1 3.42Å; M389-F392 HydrophobicContact CG-CE2 4.34Å; M389-F392 PolarHBondContact O-N 3.28Å; F392-T396 HydrophobicContact CB-CG2 4.24Å; F392-T396 HydrophobicContact CD1-CG2 4.03Å; F392-T396 HydrophobicContact CD2-CG2 4.26Å; F392-T396 HydrophobicContact CE1-CG2 4.44Å; F392-T396 HydrophobicContact CG-CG2 3.93Å; F392-W397 HydrophobicContact CD2-CZ2 4.18Å; F392-L414 HydrophobicContact CE2-CD1 4.23Å
393	L	80.3	Confident	83	Confident	52 Å²	52	54.9 Å²	54.9	27%	0.272	28%	0.284	S	S	.	.			trans	-75.1	161	168.4	-61.1	178.3	0	0	0	111.4	F355 S391 Y395 T396 W397	F355-L393 HydrophobicContact CD1-CD1 3.66Å; F355-L393 HydrophobicContact CD1-CG 4.18Å; F355-L393 HydrophobicContact CE1-CB 4.3Å; F355-L393 HydrophobicContact CE1-CD1 3.66Å; F355-L393 HydrophobicContact CE1-CG 3.87Å; F355-L393 HydrophobicContact CG-CD1 4.4Å; F355-L393 HydrophobicContact CZ-CB 4.38Å; F355-L393 HydrophobicContact CZ-CD1 4.38Å; F355-L393 HydrophobicContact CZ-CG 4.09Å; S391-L393 PolarHBondContact O-N 3.33Å; L393-Y395 VanDerWaalsContact C-N 3.3Å; L393-Y395 HydrophobicContact CB-CD1 3.88Å; L393-Y395 HydrophobicContact CB-CE1 3.61Å; L393-Y395 HydrophobicContact CD1-CD1 4.42Å; L393-Y395 HydrophobicContact CD1-CE1 3.41Å; L393-Y395 VanDerWaalsContact CD1-CE1 3.41Å; L393-Y395 HydrophobicContact CG-CE1 4.14Å; L393-Y395 PolarHBondContact O-N 3.29Å; L393-T396 VanDerWaalsContact O-CB 3.25Å; L393-T396 WeakPolarHBondContact O-CB 3.28Å; L393-T396 PolarHBondContact O-N 3.09Å; L393-W397 PolarHBondContact O-N 3.04Å
394	N	77.7	Confident	82.7	Confident	138 Å²	138	53 Å²	53	74%	0.738	27%	0.274	S	S	*	.	H	α-helix	trans	-56.4	-39.9	-176.5	-72.4	-28.5	0	0	0	113.5	T396 W397 N398	N394-T396 PolarHBondContact O-N 3.24Å; N394-W397 WeakPolarHBondContact O-CB 3.46Å; N394-W397 PolarHBondContact O-N 2.94Å; N394-N398 PolarHBondContact O-N 3.5Å
395	Y	82.7	Confident	82.1	Confident	35 Å²	35	53.4 Å²	53.4	14%	0.137	28%	0.284	C	S	.	.	H	α-helix	trans	-65.9	-27.9	177.5	64	-102.5	0	0	0	112.8	F355 E363 L393 W397 N398 H399	F355-Y395 HydrophobicContact CE1-CE2 4.19Å; F355-Y395 AromaticContact CE1-CZ 3.82Å; F355-Y395 VanDerWaalsContact CE1-OH 3.23Å; F355-Y395 WeakPolarHBondContact CE1-OH 3.37Å; E363-Y395 HydrophobicContact CG-CD2 4.32Å; E363-Y395 HydrophobicContact CG-CG 4.23Å; E363-Y395 WeakPolarHBondContact OE1-CB 3.4Å; L393-Y395 VanDerWaalsContact C-N 3.3Å; L393-Y395 HydrophobicContact CB-CD1 3.88Å; L393-Y395 HydrophobicContact CB-CE1 3.61Å; L393-Y395 HydrophobicContact CD1-CD1 4.42Å; L393-Y395 HydrophobicContact CD1-CE1 3.41Å; L393-Y395 VanDerWaalsContact CD1-CE1 3.41Å; L393-Y395 HydrophobicContact CG-CE1 4.14Å; L393-Y395 PolarHBondContact O-N 3.29Å; Y395-W397 VanDerWaalsContact C-N 3.28Å; Y395-W397 PolarHBondContact O-N 3.5Å; Y395-N398 WeakPolarHBondContact O-CB 3.24Å; Y395-N398 PolarHBondContact O-N 2.92Å; Y395-H399 VanDerWaalsContact O-CG 3.28Å; Y395-H399 PolarHBondContact O-N 2.88Å
396	T	84.9	Confident	81.4	Confident	1 Å²	1	56.5 Å²	56.5	1%	0.006	30%	0.299	C	S	.	.	H	α-helix	trans	-65.6	-36.6	176.8	-56.3	0	0	0	0	110.5	L353 F355 L375 F392 L393 N394 H399 Y400	L353-T396 HydrophobicContact CD1-CG2 4.5Å; F355-T396 WeakPolarHBondContact CZ-OG1 3.41Å; L375-T396 HydrophobicContact CD1-CG2 3.88Å; F392-T396 HydrophobicContact CB-CG2 4.24Å; F392-T396 HydrophobicContact CD1-CG2 4.03Å; F392-T396 HydrophobicContact CD2-CG2 4.26Å; F392-T396 HydrophobicContact CE1-CG2 4.44Å; F392-T396 HydrophobicContact CG-CG2 3.93Å; L393-T396 VanDerWaalsContact O-CB 3.25Å; L393-T396 WeakPolarHBondContact O-CB 3.28Å; L393-T396 PolarHBondContact O-N 3.09Å; N394-T396 PolarHBondContact O-N 3.24Å; T396-H399 PolarHBondContact O-N 3.41Å; T396-Y400 WeakPolarHBondContact O-CB 3.32Å; T396-Y400 PolarHBondContact O-N 3Å
397	W	84.7	Confident	81.1	Confident	64 Å²	64	54.6 Å²	54.6	24%	0.242	29%	0.288	C	S	.	.	H	α-helix	trans	-66.1	-40.6	172.5	-75.5	106.5	0	0	0	112.4	M389 F392 L393 N394 Y395 Y400 E401 I418	M389-W397 HydrophobicContact CE-CH2 3.62Å; M389-W397 HydrophobicContact CE-CZ2 4.13Å; F392-W397 HydrophobicContact CD2-CZ2 4.18Å; L393-W397 PolarHBondContact O-N 3.04Å; N394-W397 WeakPolarHBondContact O-CB 3.46Å; N394-W397 PolarHBondContact O-N 2.94Å; Y395-W397 VanDerWaalsContact C-N 3.28Å; Y395-W397 PolarHBondContact O-N 3.5Å; W397-Y400 AromaticContact CE3-CD1 3.86Å; W397-Y400 HydrophobicContact CE3-CD1 3.86Å; W397-Y400 HydrophobicContact CE3-CE1 4.26Å; W397-Y400 HydrophobicContact CZ3-CD1 4.07Å; W397-Y400 HydrophobicContact CZ3-CE1 4.05Å; W397-Y400 WeakPolarHBondContact O-CB 3.24Å; W397-Y400 PolarHBondContact O-N 2.98Å; W397-E401 WeakPolarHBondContact O-CG 3.44Å; W397-E401 PolarHBondContact O-N 3.42Å; W397-I418 HydrophobicContact CH2-CD1 4.29Å
398	N	83.6	Confident	80.7	Confident	110 Å²	110	54.7 Å²	54.7	59%	0.588	29%	0.289	S	S	*	.	H	α-helix	trans	-62.4	-45.4	175.6	-66.1	-21.3	0	0	0	111.6	N394 Y395 Y400 E401 Y402	N394-N398 PolarHBondContact O-N 3.5Å; Y395-N398 WeakPolarHBondContact O-CB 3.24Å; Y395-N398 PolarHBondContact O-N 2.92Å; N398-Y400 VanDerWaalsContact C-N 3.32Å; N398-Y400 PolarHBondContact O-N 3.29Å; N398-E401 PolarHBondContact O-N 3.3Å; N398-Y402 PolarHBondContact O-N 3.08Å; N398-Y402 VanDerWaalsContact O-N 3.08Å
399	H	87.8	Confident	80.5	Confident	11 Å²	11	59.3 Å²	59.3	5%	0.051	32%	0.318	C	S	.	.	H	α-helix	trans	-62.4	-38.8	175.5	-65.4	170.5	0	0	0	112.2	E363 Y371 L375 Y395 T396 Y402 L403	E363-H399 IonicContact OE1-CE1 3.73Å; E363-H399 IonicContact OE1-NE2 3.02Å; E363-H399 PolarHBondContact OE1-NE2 3.19Å; Y371-H399 AromaticContact CE1-CE1 3.86Å; Y371-H399 AromaticContact CE1-ND1 3.43Å; Y371-H399 WeakPolarHBondContact CE1-ND1 3.32Å; Y371-H399 AromaticContact CZ-ND1 3.56Å; Y371-H399 PolarHBondContact OH-ND1 3.29Å; L375-H399 HydrophobicContact CD2-CB 3.59Å; Y395-H399 VanDerWaalsContact O-CG 3.28Å; Y395-H399 PolarHBondContact O-N 2.88Å; T396-H399 PolarHBondContact O-N 3.41Å; H399-Y402 PolarHBondContact O-N 3.1Å; H399-L403 WeakPolarHBondContact O-CB 3.14Å; H399-L403 WeakPolarHBondContact O-CG 3.35Å; H399-L403 PolarHBondContact O-N 3.4Å
400	Y	86.6	Confident	80.5	Confident	2 Å²	2	58.9 Å²	58.9	1%	0.008	32%	0.316	C	S	.	.	H	α-helix	trans	-61.6	-47	174.4	162	-98.5	0	0	0	112.4	L379 T396 W397 N398 Y402 L403 R404 V411 P412 L414	L379-Y400 HydrophobicContact CD1-CD2 4Å; L379-Y400 HydrophobicContact CD2-CD2 3.75Å; L379-Y400 HydrophobicContact CD2-CG 4.28Å; L379-Y400 HydrophobicContact CG-CD2 4.43Å; T396-Y400 WeakPolarHBondContact O-CB 3.32Å; T396-Y400 PolarHBondContact O-N 3Å; W397-Y400 AromaticContact CE3-CD1 3.86Å; W397-Y400 HydrophobicContact CE3-CD1 3.86Å; W397-Y400 HydrophobicContact CE3-CE1 4.26Å; W397-Y400 HydrophobicContact CZ3-CD1 4.07Å; W397-Y400 HydrophobicContact CZ3-CE1 4.05Å; W397-Y400 WeakPolarHBondContact O-CB 3.24Å; W397-Y400 PolarHBondContact O-N 2.98Å; N398-Y400 VanDerWaalsContact C-N 3.32Å; N398-Y400 PolarHBondContact O-N 3.29Å; Y400-Y402 VanDerWaalsContact C-N 3.33Å; Y400-Y402 PolarHBondContact O-N 3.45Å; Y400-L403 PolarHBondContact O-N 3.11Å; Y400-R404 HydrophobicContact CD1-CG 4.41Å; Y400-R404 HydrophobicContact CD2-CG 3.92Å; Y400-R404 HydrophobicContact CE1-CG 4.08Å; Y400-R404 HydrophobicContact CE2-CG 3.55Å; Y400-R404 HydrophobicContact CG-CG 4.36Å; Y400-R404 WeakPolarHBondContact O-CB 3.32Å; Y400-R404 VanDerWaalsContact O-CG 3.26Å; Y400-R404 WeakPolarHBondContact O-CG 3.24Å; Y400-R404 PolarHBondContact O-N 2.92Å; Y400-R404 PolarHBondContact OH-NH1 2.92Å; Y400-V411 HydrophobicContact CD2-CG1 3.61Å; Y400-V411 HydrophobicContact CE2-CG1 3.64Å; Y400-P412 WeakPolarHBondContact CE2-O 3.45Å; Y400-L414 HydrophobicContact CD2-CD1 4.05Å; Y400-L414 HydrophobicContact CE2-CB 4.22Å; Y400-L414 HydrophobicContact CE2-CD1 3.74Å; Y400-L414 HydrophobicContact CE2-CG 3.79Å; Y400-L414 PolarHBondContact OH-N 3.24Å
401	E	82.6	Confident	80.7	Confident	67 Å²	67	54.4 Å²	54.4	31%	0.313	28%	0.284	S	S	.	.	H	α-helix	trans	-62.4	-41.8	178.4	-66.4	-59.2	155.3	0	0	111.2	W397 N398 R404 V405 R415	W397-E401 WeakPolarHBondContact O-CG 3.44Å; W397-E401 PolarHBondContact O-N 3.42Å; N398-E401 PolarHBondContact O-N 3.3Å; E401-R404 PolarHBondContact O-N 3.42Å; E401-V405 WeakPolarHBondContact O-CG2 3.48Å; E401-V405 PolarHBondContact O-N 3.17Å; E401-R415 IonicContact OE1-CZ 3.26Å; E401-R415 IonicContact OE1-NE 3.75Å; E401-R415 PolarHBondContact OE1-NE 3.4Å; E401-R415 VanDerWaalsContact OE1-NE 3.1Å; E401-R415 IonicContact OE1-NH2 3.1Å; E401-R415 PolarHBondContact OE1-NH2 3.42Å
402	Y	81.1	Confident	81	Confident	113 Å²	113	53.4 Å²	53.4	44%	0.443	28%	0.277	S	S	.	.	H	α-helix	trans	-59.1	-48.4	173.8	178	-93	0	0	0	112.3	I366 N398 H399 Y400 R404 V405 N406	I366-Y402 HydrophobicContact CD1-CD1 3.17Å; I366-Y402 HydrophobicContact CD1-CD2 4.16Å; I366-Y402 HydrophobicContact CD1-CE1 3.61Å; I366-Y402 HydrophobicContact CD1-CG 3.46Å; I366-Y402 VanDerWaalsContact CD1-CG 3.46Å; I366-Y402 HydrophobicContact CG1-CD1 3.89Å; I366-Y402 HydrophobicContact CG1-CE1 3.95Å; N398-Y402 PolarHBondContact O-N 3.08Å; N398-Y402 VanDerWaalsContact O-N 3.08Å; H399-Y402 PolarHBondContact O-N 3.1Å; Y400-Y402 VanDerWaalsContact C-N 3.33Å; Y400-Y402 PolarHBondContact O-N 3.45Å; Y402-R404 VanDerWaalsContact C-N 3.32Å; Y402-R404 PolarHBondContact O-N 2.87Å; Y402-V405 PolarHBondContact O-N 3.11Å; Y402-N406 WeakPolarHBondContact CD1-ND2 3.45Å; Y402-N406 WeakPolarHBondContact CD2-ND2 3.31Å; Y402-N406 WeakPolarHBondContact CE1-ND2 3.49Å; Y402-N406 WeakPolarHBondContact CE2-ND2 3.31Å; Y402-N406 PolarHBondContact O-N 3.39Å; Y402-N406 PolarHBondContact O-ND2 3.05Å; Y402-N406 PolarHBondContact OH-ND2 3.48Å
403	L	82.1	Confident	80.9	Confident	9 Å²	9	56.1 Å²	56.1	5%	0.047	29%	0.293	C	S	.	.	H	α-helix	trans	-67.5	-31	179.1	-72.8	177.4	0	0	0	113	I372 L375 I376 L379 H399 Y400 V405 C407 V411	I372-L403 HydrophobicContact CD1-CD1 4.25Å; I372-L403 HydrophobicContact CD1-CD2 4.13Å; I372-L403 HydrophobicContact CD1-CG 4.5Å; I372-L403 HydrophobicContact CG2-CD1 4.4Å; I372-L403 HydrophobicContact CG2-CD2 3.99Å; L375-L403 HydrophobicContact CD2-CD1 3.65Å; L375-L403 HydrophobicContact CG-CD1 4.12Å; I376-L403 HydrophobicContact CG1-CD1 4.43Å; L379-L403 HydrophobicContact CD1-CD1 4.32Å; H399-L403 WeakPolarHBondContact O-CB 3.14Å; H399-L403 WeakPolarHBondContact O-CG 3.35Å; H399-L403 PolarHBondContact O-N 3.4Å; Y400-L403 PolarHBondContact O-N 3.11Å; L403-V405 VanDerWaalsContact C-N 3.32Å; L403-V405 PolarHBondContact O-N 3.48Å; L403-C407 CarbonylContact O-C 3.43Å; L403-C407 VanDerWaalsContact O-C 3.32Å; L403-C407 WeakPolarHBondContact O-CA 3.35Å; L403-C407 PolarHBondContact O-N 3.39Å; L403-V411 HydrophobicContact CB-CG2 3.81Å; L403-V411 HydrophobicContact CD1-CG2 4.32Å
404	R	80.5	Confident	80.7	Confident	63 Å²	63	53.7 Å²	53.7	24%	0.238	28%	0.28	C	S	.	.	H	α-helix	trans	-66.1	-34.4	175.8	-78.9	-66.2	-57.6	-77.8	1.8	112.7	Y400 E401 Y402 V411 P412 N413	Y400-R404 HydrophobicContact CD1-CG 4.41Å; Y400-R404 HydrophobicContact CD2-CG 3.92Å; Y400-R404 HydrophobicContact CE1-CG 4.08Å; Y400-R404 HydrophobicContact CE2-CG 3.55Å; Y400-R404 HydrophobicContact CG-CG 4.36Å; Y400-R404 WeakPolarHBondContact O-CB 3.32Å; Y400-R404 VanDerWaalsContact O-CG 3.26Å; Y400-R404 WeakPolarHBondContact O-CG 3.24Å; Y400-R404 PolarHBondContact O-N 2.92Å; Y400-R404 PolarHBondContact OH-NH1 2.92Å; E401-R404 PolarHBondContact O-N 3.42Å; Y402-R404 VanDerWaalsContact C-N 3.32Å; Y402-R404 PolarHBondContact O-N 2.87Å; R404-V411 WeakPolarHBondContact CD-O 3.42Å; R404-V411 HydrophobicContact CG-CB 4.44Å; R404-V411 HydrophobicContact CG-CG1 3.94Å; R404-P412 WeakPolarHBondContact CD-O 3.34Å; R404-P412 PolarHBondContact NH1-O 3.11Å; R404-N413 VanDerWaalsContact NH1-CG 3.33Å; R404-N413 PolarHBondContact NH1-OD1 3.37Å
405	V	73.7	Confident	80.1	Confident	115 Å²	115	54.2 Å²	54.2	70%	0.697	27%	0.271	S	S	*	.	H	α-helix	trans	-75.3	-47.1	175.6	176.3	0	0	0	0	110.6	E401 Y402 L403	E401-V405 WeakPolarHBondContact O-CG2 3.48Å; E401-V405 PolarHBondContact O-N 3.17Å; Y402-V405 PolarHBondContact O-N 3.11Å; L403-V405 VanDerWaalsContact C-N 3.32Å; L403-V405 PolarHBondContact O-N 3.48Å
406	N	69.6	Low	78.6	Confident	83 Å²	83	55 Å²	55	44%	0.444	29%	0.285	S	S	.	.	H	α-helix	trans	-81.9	-28.4	-172.5	-67.3	-33.8	0	0	0	114.1	Y402	Y402-N406 WeakPolarHBondContact CD1-ND2 3.45Å; Y402-N406 WeakPolarHBondContact CD2-ND2 3.31Å; Y402-N406 WeakPolarHBondContact CE1-ND2 3.49Å; Y402-N406 WeakPolarHBondContact CE2-ND2 3.31Å; Y402-N406 PolarHBondContact O-N 3.39Å; Y402-N406 PolarHBondContact O-ND2 3.05Å; Y402-N406 PolarHBondContact OH-ND2 3.48Å
407	C	74.4	Confident	76.8	Confident	23 Å²	23	56.5 Å²	56.5	16%	0.155	30%	0.296	C	S	.	.			trans	-142.5	62.2	-173.1	-74.3	0	0	0	0	112	L403 T409 L410 V411	L403-C407 CarbonylContact O-C 3.43Å; L403-C407 VanDerWaalsContact O-C 3.32Å; L403-C407 WeakPolarHBondContact O-CA 3.35Å; L403-C407 PolarHBondContact O-N 3.39Å; C407-T409 PolarHBondContact O-N 2.9Å; C407-T409 VanDerWaalsContact O-N 3.1Å; C407-L410 HydrophobicContact CB-CB 4.35Å; C407-L410 HydrophobicContact CB-CD1 4.15Å; C407-L410 PolarHBondContact O-N 2.81Å; C407-L410 VanDerWaalsContact O-N 3.08Å; C407-V411 PolarHBondContact O-N 2.96Å
408	P	75.4	Confident	74.7	Confident	86 Å²	86	56.8 Å²	56.8	56%	0.558	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-19.7	-175.4	26.7	-35.9	0	0	0	113.9
409	T	78.6	Confident	72.2	Confident	98 Å²	98	61 Å²	61	60%	0.601	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-24.1	177.8	53.4	0	0	0	0	113	K335 C407	K335-T409 VanDerWaalsContact CE-O 3.32Å; K335-T409 WeakPolarHBondContact CE-O 3.36Å; K335-T409 PolarHBondContact NZ-O 3.26Å; C407-T409 PolarHBondContact O-N 2.9Å; C407-T409 VanDerWaalsContact O-N 3.1Å
410	L	82.7	Confident	69.7	Low	12 Å²	12	66 Å²	66	6%	0.063	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.2	-29.1	-175.7	-66.8	173.2	0	0	0	112.8	W331 N332 K335 I376 N380 C407	W331-L410 HydrophobicContact CB-CD1 3.89Å; W331-L410 HydrophobicContact CB-CD2 4.41Å; W331-L410 HydrophobicContact CE3-CD1 3.85Å; N332-L410 HydrophobicContact CB-CD2 4.18Å; K335-L410 HydrophobicContact CD-CD2 4.27Å; K335-L410 WeakPolarHBondContact CG-O 3.36Å; I376-L410 HydrophobicContact CD1-CB 4.31Å; I376-L410 HydrophobicContact CD1-CD1 4.21Å; N380-L410 PolarHBondContact ND2-O 3.39Å; C407-L410 HydrophobicContact CB-CB 4.35Å; C407-L410 HydrophobicContact CB-CD1 4.15Å; C407-L410 PolarHBondContact O-N 2.81Å; C407-L410 VanDerWaalsContact O-N 3.08Å
411	V	84.2	Confident	67	Low	6 Å²	6	71.6 Å²	71.6	4%	0.036	36%	0.359	C	S	.	.	S	Bend	trans	-111.4	126.5	-174.6	-176.6	0	0	0	0	111.3	I376 L379 Y400 L403 R404 C407	I376-V411 HydrophobicContact CG1-CG2 4.31Å; L379-V411 HydrophobicContact CB-CG1 4.37Å; L379-V411 HydrophobicContact CD1-CG1 3.87Å; L379-V411 HydrophobicContact CD1-CG2 4.38Å; Y400-V411 HydrophobicContact CD2-CG1 3.61Å; Y400-V411 HydrophobicContact CE2-CG1 3.64Å; L403-V411 HydrophobicContact CB-CG2 3.81Å; L403-V411 HydrophobicContact CD1-CG2 4.32Å; R404-V411 WeakPolarHBondContact CD-O 3.42Å; R404-V411 HydrophobicContact CG-CB 4.44Å; R404-V411 HydrophobicContact CG-CG1 3.94Å; C407-V411 PolarHBondContact O-N 2.96Å
412	P	84.3	Confident	64.6	Low	15 Å²	15	72.8 Å²	72.8	10%	0.097	37%	0.367	C	S	.	.			trans	-76.5	166.7	-178.3	33.5	-37.8	0	0	0	112.6	L379 N380 K383 Y400 R404 L414	L379-P412 WeakPolarHBondContact O-CG 3.48Å; N380-P412 WeakPolarHBondContact OD1-CD 3.48Å; K383-P412 HydrophobicContact CB-CB 4.29Å; K383-P412 HydrophobicContact CB-CG 4.11Å; K383-P412 HydrophobicContact CD-CB 3.75Å; K383-P412 HydrophobicContact CD-CG 4.42Å; K383-P412 HydrophobicContact CG-CB 4.25Å; Y400-P412 WeakPolarHBondContact CE2-O 3.45Å; R404-P412 WeakPolarHBondContact CD-O 3.34Å; R404-P412 PolarHBondContact NH1-O 3.11Å; P412-L414 HydrophobicContact CG-CD2 4.13Å; P412-L414 PolarHBondContact O-N 3.47Å
413	N	81.3	Confident	62.2	Low	76 Å²	76	71 Å²	71	41%	0.406	37%	0.365	S	S	.	.			trans	-84.9	100.2	172.5	-161.7	-3.3	0	0	0	113.3	R404 R415	R404-N413 VanDerWaalsContact NH1-CG 3.33Å; R404-N413 PolarHBondContact NH1-OD1 3.37Å; N413-R415 PolarHBondContact OD1-N 3.27Å
414	L	77	Confident	59.8	Low	0 Å²	0	73.8 Å²	73.8	0%	0	38%	0.384	C	S	.	.			trans	-78.9	-28.6	-179.2	-60.9	-179.2	0	0	0	113.5	L379 A382 K383 M389 F392 Y400 P412 A416 S417	L379-L414 HydrophobicContact CD2-CD1 3.67Å; A382-L414 HydrophobicContact CB-CD1 4.4Å; A382-L414 HydrophobicContact CB-CD2 4.15Å; K383-L414 HydrophobicContact CB-CD2 4.01Å; M389-L414 HydrophobicContact CE-CB 3.89Å; F392-L414 HydrophobicContact CE2-CD1 4.23Å; Y400-L414 HydrophobicContact CD2-CD1 4.05Å; Y400-L414 HydrophobicContact CE2-CB 4.22Å; Y400-L414 HydrophobicContact CE2-CD1 3.74Å; Y400-L414 HydrophobicContact CE2-CG 3.79Å; Y400-L414 PolarHBondContact OH-N 3.24Å; P412-L414 HydrophobicContact CG-CD2 4.13Å; P412-L414 PolarHBondContact O-N 3.47Å; L414-A416 PolarHBondContact O-N 2.7Å; L414-S417 WeakPolarHBondContact O-CB 3.44Å; L414-S417 PolarHBondContact O-N 3.01Å; L414-S417 VanDerWaalsContact O-N 3.08Å
415	R	64.3	Low	57.4	Low	150 Å²	150	76.4 Å²	76.4	57%	0.566	40%	0.403	S	S	*	.	H	α-helix	trans	-68	-19.8	-178.5	-68.7	-171.3	-174.2	-167.8	-0.7	113.3	E401 N413	E401-R415 IonicContact OE1-CZ 3.26Å; E401-R415 IonicContact OE1-NE 3.75Å; E401-R415 PolarHBondContact OE1-NE 3.4Å; E401-R415 VanDerWaalsContact OE1-NE 3.1Å; E401-R415 IonicContact OE1-NH2 3.1Å; E401-R415 PolarHBondContact OE1-NH2 3.42Å; N413-R415 PolarHBondContact OD1-N 3.27Å
416	A	51.6	Low	55.3	Low	50 Å²	50	76.3 Å²	76.3	41%	0.413	40%	0.398	S	S	.	.	H	α-helix	trans	-71.8	-33.5	172.7	0	0	0	0	0	112.3	L414 R419	L414-A416 PolarHBondContact O-N 2.7Å; A416-R419 PolarHBondContact O-N 3.33Å
417	S	47.3	Very low	53.4	Low	34 Å²	34	78.7 Å²	78.7	24%	0.238	41%	0.41	C	S	.	.	H	α-helix	trans	-70.1	-34.4	-178.3	-55.6	0	0	0	0	112.7	L414 I420 F421	L414-S417 WeakPolarHBondContact O-CB 3.44Å; L414-S417 PolarHBondContact O-N 3.01Å; L414-S417 VanDerWaalsContact O-N 3.08Å; S417-I420 PolarHBondContact O-N 2.98Å; S417-F421 PolarHBondContact O-N 3.48Å
418	I	39.4	Very low	51.4	Low	70 Å²	70	83.5 Å²	83.5	36%	0.359	44%	0.439	S	S	.	.	H	α-helix	trans	-67.2	-38	178.2	-61.3	171.3	0	0	0	111.5	M389 W397 I420 F421 I422	M389-I418 HydrophobicContact CE-CD1 3.6Å; M389-I418 HydrophobicContact CE-CG1 3.69Å; W397-I418 HydrophobicContact CH2-CD1 4.29Å; I418-I420 VanDerWaalsContact C-N 3.31Å; I418-I420 PolarHBondContact O-N 3.24Å; I418-F421 PolarHBondContact O-N 2.98Å; I418-I422 HydrophobicContact CG2-CD1 3.74Å; I418-I422 HydrophobicContact CG2-CG1 4.39Å; I418-I422 WeakPolarHBondContact O-CG1 3.23Å; I418-I422 PolarHBondContact O-N 3.1Å; I418-I422 VanDerWaalsContact O-N 3.11Å
419	R	30.7	Very low	49.1	Very low	198 Å²	198	87.4 Å²	87.4	75%	0.747	45%	0.452	S	S	*	.	H	α-helix	trans	-64.9	-34.6	178.6	-84.2	-174.5	170.9	-178.6	-2.7	112.6	A416 L423	A416-R419 PolarHBondContact O-N 3.33Å; R419-L423 WeakPolarHBondContact O-CB 3.32Å; R419-L423 WeakPolarHBondContact O-CD1 3.26Å; R419-L423 VanDerWaalsContact O-CG 3.24Å; R419-L423 WeakPolarHBondContact O-CG 3.48Å; R419-L423 PolarHBondContact O-N 3.36Å; R419-L423 VanDerWaalsContact O-N 3.13Å
420	I	35.6	Very low	46.5	Very low	115 Å²	115	90.5 Å²	90.5	59%	0.59	46%	0.459	S	S	*	.	H	α-helix	trans	-71.1	-37.7	178.6	-62.9	170.7	0	0	0	110.7	S417 I418 L423 S424	S417-I420 PolarHBondContact O-N 2.98Å; I418-I420 VanDerWaalsContact C-N 3.31Å; I418-I420 PolarHBondContact O-N 3.24Å; I420-L423 PolarHBondContact O-N 3.02Å; I420-S424 PolarHBondContact O-N 3.43Å; I420-S424 PolarHBondContact O-OG 3.18Å
421	F	31.4	Very low	43.8	Very low	121 Å²	121	98 Å²	98	53%	0.531	49%	0.491	S	S	.	.	H	α-helix	trans	-71.8	-37.4	-179.6	-145.2	-97.9	0	0	0	113	S417 I418 S424 L425	S417-F421 PolarHBondContact O-N 3.48Å; I418-F421 PolarHBondContact O-N 2.98Å; F421-S424 WeakPolarHBondContact CA-OG 3.42Å; F421-S424 PolarHBondContact O-OG 3.39Å; F421-L425 HydrophobicContact CD1-CD1 3.87Å; F421-L425 HydrophobicContact CE1-CD1 3.93Å; F421-L425 PolarHBondContact O-N 3.08Å
422	I	31	Very low	41	Very low	92 Å²	92	103.1 Å²	103.1	47%	0.472	53%	0.528	S	S	.	.	H	α-helix	trans	-71.6	-36.2	175.7	-66.1	174.2	0	0	0	111	I418 L425 L426	I418-I422 HydrophobicContact CG2-CD1 3.74Å; I418-I422 HydrophobicContact CG2-CG1 4.39Å; I418-I422 WeakPolarHBondContact O-CG1 3.23Å; I418-I422 PolarHBondContact O-N 3.1Å; I418-I422 VanDerWaalsContact O-N 3.11Å; I422-L425 PolarHBondContact O-N 3.41Å; I422-L426 HydrophobicContact CG2-CD1 3.58Å; I422-L426 HydrophobicContact CG2-CG 4.43Å; I422-L426 WeakPolarHBondContact O-CB 3.41Å; I422-L426 WeakPolarHBondContact O-CD1 3.49Å; I422-L426 WeakPolarHBondContact O-CG 3.45Å; I422-L426 PolarHBondContact O-N 2.83Å
423	L	30.8	Very low	38.3	Very low	76 Å²	76	105.8 Å²	105.8	40%	0.398	56%	0.558	S	S	.	*	H	α-helix	trans	-71.7	-31	175.3	-75	165.4	0	0	0	113.1	R419 I420 N427	R419-L423 WeakPolarHBondContact O-CB 3.32Å; R419-L423 WeakPolarHBondContact O-CD1 3.26Å; R419-L423 VanDerWaalsContact O-CG 3.24Å; R419-L423 WeakPolarHBondContact O-CG 3.48Å; R419-L423 PolarHBondContact O-N 3.36Å; R419-L423 VanDerWaalsContact O-N 3.13Å; I420-L423 PolarHBondContact O-N 3.02Å; L423-N427 WeakPolarHBondContact O-CB 3.39Å; L423-N427 PolarHBondContact O-N 3.23Å; L423-N427 PolarHBondContact O-ND2 2.88Å
424	S	31	Very low	35.7	Very low	66 Å²	66	110.3 Å²	110.3	46%	0.462	58%	0.581	S	S	.	*	H	α-helix	trans	-72.3	-28.4	173.2	55.9	0	0	0	0	113.4	I420 F421	I420-S424 PolarHBondContact O-N 3.43Å; I420-S424 PolarHBondContact O-OG 3.18Å; F421-S424 WeakPolarHBondContact CA-OG 3.42Å; F421-S424 PolarHBondContact O-OG 3.39Å
425	L	31	Very low	33.2	Very low	119 Å²	119	117.1 Å²	117.1	62%	0.623	62%	0.622	S	S	*	*	H	α-helix	trans	-83	-31.6	176.1	-91.2	151.2	0	0	0	112.9	F421 I422	F421-L425 HydrophobicContact CD1-CD1 3.87Å; F421-L425 HydrophobicContact CE1-CD1 3.93Å; F421-L425 PolarHBondContact O-N 3.08Å; I422-L425 PolarHBondContact O-N 3.41Å
426	L	30.7	Very low	31.5	Very low	113 Å²	113	119.3 Å²	119.3	59%	0.592	64%	0.636	S	S	*	*	H	α-helix	trans	-79.1	-18.4	176.7	-75.8	164.1	0	0	0	113.8	I422 V428 M429	I422-L426 HydrophobicContact CG2-CD1 3.58Å; I422-L426 HydrophobicContact CG2-CG 4.43Å; I422-L426 WeakPolarHBondContact O-CB 3.41Å; I422-L426 WeakPolarHBondContact O-CD1 3.49Å; I422-L426 WeakPolarHBondContact O-CG 3.45Å; I422-L426 PolarHBondContact O-N 2.83Å; L426-V428 PolarHBondContact O-N 2.99Å; L426-V428 VanDerWaalsContact O-N 3.15Å; L426-M429 PolarHBondContact O-N 3.18Å
427	N	29.5	Very low	30.2	Very low	133 Å²	133	125.1 Å²	125.1	71%	0.711	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.4	6.7	177.5	-90.4	-23.3	0	0	0	114.9	L423	L423-N427 WeakPolarHBondContact O-CB 3.39Å; L423-N427 PolarHBondContact O-N 3.23Å; L423-N427 PolarHBondContact O-ND2 2.88Å
428	V	30.8	Very low	29.3	Very low	124 Å²	124	131.9 Å²	131.9	75%	0.752	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.5	3.9	177.2	-174.4	0	0	0	0	112.1	L426	L426-V428 PolarHBondContact O-N 2.99Å; L426-V428 VanDerWaalsContact O-N 3.15Å
429	M	27.1	Very low	28.8	Very low	168 Å²	168	139.4 Å²	139.4	83%	0.828	70%	0.702	S	S	*	*	S	Bend	trans	-117.5	92.8	174.3	-62.8	-153.8	81.9	0	0	112.1	L426	L426-M429 PolarHBondContact O-N 3.18Å
430	E	25.1	Very low	28.8	Very low	163 Å²	163	136.9 Å²	136.9	76%	0.762	70%	0.703	S	S	*	*			trans	-15	124.1	150.7	-108.2	177.8	-179.5	0	0	118.4
431	F	25.8	Very low	28.5	Very low	168 Å²	168	136.9 Å²	136.9	74%	0.737	71%	0.713	S	S	*	*				141.5	125.9	111.7	-97.1	-68.2	0	0	0	115.8
432	S	26.1	Very low	28.5	Very low	115 Å²	115	136.9 Å²	136.9	80%	0.804	72%	0.723	S	S	*	*			trans	62.6	105.3	150.7	60.7	0	0	0	0	119.7
433	G	26.8	Very low	28.5	Very low	71 Å²	71	138 Å²	138	73%	0.732	74%	0.736	S	S	*	*			trans	141.1	106.7	156	0	0	0	0	0	114.3
434	L	26.9	Very low	28.4	Very low	170 Å²	170	145.6 Å²	145.6	89%	0.89	76%	0.76	S	S	*	*			trans	63.5	86.2	159.7	-74	121.5	0	0	0	118.3	F436	L434-F436 PolarHBondContact O-N 3.41Å; L434-F436 VanDerWaalsContact O-N 3.13Å
435	V	25.4	Very low	28.3	Very low	143 Å²	143	153.8 Å²	153.8	87%	0.867	78%	0.78	S	S	*	*			trans	2.8	90.3	134.6	-171.2	0	0	0	0	115.6
436	F	26.7	Very low	28.1	Very low	196 Å²	196	156 Å²	156	86%	0.86	78%	0.782	S	S	*	*			trans	-162.5	43.5	160.1	-116.4	-75.8	0	0	0	112.8	L434	L434-F436 PolarHBondContact O-N 3.41Å; L434-F436 VanDerWaalsContact O-N 3.13Å
437	Y	25.6	Very low	27.9	Very low	172 Å²	172	157.6 Å²	157.6	68%	0.675	79%	0.789	S	S	*	*			trans	-142.1	89.3	179.1	-97.1	-88.1	0	0	0	112.6	L440	Y437-L440 HydrophobicContact CE1-CD1 4.26Å
438	H	27.8	Very low	27.7	Very low	177 Å²	177	157.4 Å²	157.4	82%	0.819	80%	0.797	S	S	*	*	S	Bend	trans	-149	29.1	165.1	-145	66.8	0	0	0	115.6
439	Y	29.7	Very low	27.5	Very low	227 Å²	227	157.4 Å²	157.4	89%	0.89	80%	0.797	S	S	*	*	S	Bend	trans	-141.4	15	-176.3	-107.7	-84.3	0	0	0	117.8
440	L	29.5	Very low	27.4	Very low	146 Å²	146	155.2 Å²	155.2	76%	0.764	79%	0.793	S	S	*	*			trans	-114.5	18.8	-172.3	-82.4	165.3	0	0	0	116.3	Y437	Y437-L440 HydrophobicContact CE1-CD1 4.26Å
441	S	30.4	Very low	27.4	Very low	115 Å²	115	153.2 Å²	153.2	80%	0.804	79%	0.792	S	S	*	*	S	Bend	trans	-104.8	11.3	-170.7	-41.1	0	0	0	0	116.3
442	T	31.5	Very low	27.5	Very low	121 Å²	121	153 Å²	153	74%	0.742	80%	0.798	S	S	*	*			trans	-133.6	115.9	178.4	47.8	0	0	0	0	112.2	R444	T442-R444 PolarHBondContact O-N 3.49Å
443	P	29.8	Very low	27.5	Very low	116 Å²	116	156 Å²	156	75%	0.753	80%	0.799	S	S	*	*	S	Bend	trans	-81.7	103	177.6	32.4	-27.6	0	0	0	107.9
444	R	28.9	Very low	27.7	Very low	235 Å²	235	159.7 Å²	159.7	89%	0.887	80%	0.802	S	S	*	*			trans	133.9	95.3	165.3	-76.9	164.1	-178.4	-163	1.6	109.8	T442	T442-R444 PolarHBondContact O-N 3.49Å
445	R	29.1	Very low	28	Very low	238 Å²	238	156.1 Å²	156.1	90%	0.898	79%	0.791	S	S	*	*			trans	169.2	157	135.9	-89.3	160.1	-171.6	-159.8	2.5	109.3
446	Y	26.9	Very low	28.5	Very low	166 Å²	166	157.4 Å²	157.4	65%	0.651	79%	0.792	S	S	*	*			trans	-72.8	173.7	-156.4	-73.2	-102.1	0	0	0	116
447	I	27.6	Very low	29.2	Very low	145 Å²	145	152.2 Å²	152.2	74%	0.744	78%	0.78	S	S	*	*			trans	103.2	104.3	148.5	-49.7	-176.3	0	0	0	116.2	V449	I447-V449 HydrophobicContact CG2-CB 4.32Å; I447-V449 HydrophobicContact CG2-CG2 3.61Å; I447-V449 PolarHBondContact O-N 3.34Å
448	C	24.9	Very low	29.8	Very low	129 Å²	129	148.4 Å²	148.4	87%	0.872	78%	0.775	S	S	*	*			trans	-72.3	104.4	154.5	-175.9	0	0	0	0	108.2
449	V	25.1	Very low	30.2	Very low	124 Å²	124	144.2 Å²	144.2	75%	0.752	75%	0.754	S	S	*	*			trans	-137.6	101.5	154.8	174.5	0	0	0	0	106.2	I447	I447-V449 HydrophobicContact CG2-CB 4.32Å; I447-V449 HydrophobicContact CG2-CG2 3.61Å; I447-V449 PolarHBondContact O-N 3.34Å
450	T	25.5	Very low	30.6	Very low	123 Å²	123	137.3 Å²	137.3	76%	0.755	73%	0.729	S	S	*	*			trans	-134.3	128.2	156.2	-24.9	0	0	0	0	107.8
451	V	25.4	Very low	31	Very low	121 Å²	121	135.4 Å²	135.4	73%	0.733	72%	0.719	S	S	*	*			trans	73.9	96.4	166.9	-158.2	0	0	0	0	114.2
452	L	27.5	Very low	31.5	Very low	164 Å²	164	134.2 Å²	134.2	86%	0.859	70%	0.702	S	S	*	*				-164.7	127.4	114.8	-95.6	160.1	0	0	0	108.9
453	Q	27	Very low	32	Very low	177 Å²	177	132.1 Å²	132.1	83%	0.827	69%	0.689	S	S	*	*			trans	-56.5	152.5	168.7	-76.2	160.5	-66.2	0	0	110.2
454	N	30.7	Very low	32.4	Very low	148 Å²	148	128.8 Å²	128.8	79%	0.791	67%	0.672	S	S	*	*			trans	97.5	136.7	171.9	-64.3	-18.4	0	0	0	117.2
455	S	33.1	Very low	33.1	Very low	95 Å²	95	124 Å²	124	66%	0.664	66%	0.658	S	S	*	*	S	Bend	trans	-86.4	162	-155.2	41	0	0	0	0	112.7
456	L	36	Very low	33.7	Very low	171 Å²	171	117.3 Å²	117.3	90%	0.895	63%	0.633	S	S	*	*	S	Bend	trans	82.9	-5	162.4	-72	130.8	0	0	0	120.3
457	S	41.8	Very low	34.5	Very low	86 Å²	86	112 Å²	112	60%	0.601	61%	0.613	S	S	*	*			trans	-96.9	-5.4	176.6	40.9	0	0	0	0	115.3
458	V	37.7	Very low	35.2	Very low	93 Å²	93	107.5 Å²	107.5	56%	0.564	60%	0.598	S	S	*	*	H	α-helix	trans	-76.9	-28.1	-167.6	-178.7	0	0	0	0	114.2	L461 I462	V458-L461 PolarHBondContact O-N 3.32Å; V458-I462 HydrophobicContact CG1-CD1 3.97Å; V458-I462 HydrophobicContact CG1-CG1 4.49Å; V458-I462 WeakPolarHBondContact O-CG1 3.5Å; V458-I462 PolarHBondContact O-N 3.42Å
459	F	36.7	Very low	36	Very low	88 Å²	88	103.4 Å²	103.4	39%	0.386	57%	0.573	S	S	.	*	H	α-helix	trans	-76.8	-31.9	-174	-141.8	-95	0	0	0	113.8	L461 I462 V463	F459-L461 VanDerWaalsContact C-N 3.33Å; F459-I462 PolarHBondContact O-N 3.13Å; F459-V463 PolarHBondContact O-N 3.11Å
460	K	37.4	Very low	36.7	Very low	83 Å²	83	101.4 Å²	101.4	36%	0.361	55%	0.552	S	S	.	*	H	α-helix	trans	-70.4	-32.7	174.7	-69.9	178.4	-177.2	172.6	0	111.6	A464 L498 V502	K460-A464 VanDerWaalsContact O-CB 3.27Å; K460-A464 WeakPolarHBondContact O-CB 3.48Å; K460-A464 PolarHBondContact O-N 3.42Å; K460-A464 VanDerWaalsContact O-N 3.13Å; K460-L498 HydrophobicContact CD-CD2 4.25Å; K460-V502 VanDerWaalsContact NZ-CG2 3.27Å
461	L	38.5	Very low	37.5	Very low	106 Å²	106	96.8 Å²	96.8	56%	0.555	52%	0.523	S	S	*	.	H	α-helix	trans	-67.7	-36.7	173.8	-149.1	85.2	0	0	0	111.2	V458 F459 A464 F465	V458-L461 PolarHBondContact O-N 3.32Å; F459-L461 VanDerWaalsContact C-N 3.33Å; L461-A464 PolarHBondContact O-N 3.24Å; L461-F465 HydrophobicContact CD1-CE2 4.5Å; L461-F465 HydrophobicContact CD2-CD2 4.05Å; L461-F465 HydrophobicContact CD2-CE2 3.78Å; L461-F465 HydrophobicContact CG-CD2 3.78Å; L461-F465 HydrophobicContact CG-CE2 3.86Å; L461-F465 WeakPolarHBondContact O-CB 3.38Å; L461-F465 WeakPolarHBondContact O-CD2 3.49Å; L461-F465 PolarHBondContact O-N 3.41Å
462	I	40.8	Very low	38.3	Very low	89 Å²	89	95.8 Å²	95.8	46%	0.456	51%	0.513	S	S	.	.	H	α-helix	trans	-68.5	-41.3	-179	-68.1	164.8	0	0	0	112.2	V458 F459 Y466	V458-I462 HydrophobicContact CG1-CD1 3.97Å; V458-I462 HydrophobicContact CG1-CG1 4.49Å; V458-I462 WeakPolarHBondContact O-CG1 3.5Å; V458-I462 PolarHBondContact O-N 3.42Å; F459-I462 PolarHBondContact O-N 3.13Å; I462-Y466 WeakPolarHBondContact O-CB 3.48Å; I462-Y466 PolarHBondContact O-N 3.42Å
463	V	41	Very low	38.7	Very low	77 Å²	77	90.3 Å²	90.3	47%	0.467	49%	0.491	S	S	.	.	H	α-helix	trans	-71.3	-39.6	175.8	-179.7	0	0	0	0	110.9	F459 Y466 F467	F459-V463 PolarHBondContact O-N 3.11Å; V463-Y466 WeakPolarHBondContact O-CB 3.36Å; V463-Y466 PolarHBondContact O-N 2.91Å; V463-F467 HydrophobicContact CG1-CD2 4.14Å; V463-F467 HydrophobicContact CG1-CE2 4.36Å; V463-F467 WeakPolarHBondContact O-CD2 3.19Å; V463-F467 PolarHBondContact O-N 2.81Å
464	A	38.4	Very low	39.1	Very low	47 Å²	47	88.1 Å²	88.1	39%	0.388	49%	0.493	S	S	.	.	H	α-helix	trans	-65.3	-39.8	174.5	0	0	0	0	0	112.2	K460 L461 F467 A468	K460-A464 VanDerWaalsContact O-CB 3.27Å; K460-A464 WeakPolarHBondContact O-CB 3.48Å; K460-A464 PolarHBondContact O-N 3.42Å; K460-A464 VanDerWaalsContact O-N 3.13Å; L461-A464 PolarHBondContact O-N 3.24Å; A464-F467 PolarHBondContact O-N 3.19Å; A464-A468 WeakPolarHBondContact O-CB 3.49Å; A464-A468 PolarHBondContact O-N 2.98Å
465	F	43.4	Very low	39.4	Very low	135 Å²	135	83.4 Å²	83.4	59%	0.592	47%	0.471	S	S	*	.	H	α-helix	trans	-67.6	-38	171.9	-100.9	-98.2	0	0	0	111.7	L461 F467 A468 A469	L461-F465 HydrophobicContact CD1-CE2 4.5Å; L461-F465 HydrophobicContact CD2-CD2 4.05Å; L461-F465 HydrophobicContact CD2-CE2 3.78Å; L461-F465 HydrophobicContact CG-CD2 3.78Å; L461-F465 HydrophobicContact CG-CE2 3.86Å; L461-F465 WeakPolarHBondContact O-CB 3.38Å; L461-F465 WeakPolarHBondContact O-CD2 3.49Å; L461-F465 PolarHBondContact O-N 3.41Å; F465-F467 VanDerWaalsContact C-N 3.28Å; F465-F467 PolarHBondContact O-N 2.84Å; F465-A468 PolarHBondContact O-N 2.89Å; F465-A469 WeakPolarHBondContact O-CA 3.25Å; F465-A469 WeakPolarHBondContact O-CB 3.45Å; F465-A469 PolarHBondContact O-N 2.99Å
466	Y	42.9	Very low	39.5	Very low	96 Å²	96	86.6 Å²	86.6	38%	0.376	48%	0.48	S	S	.	.	H	α-helix	trans	-60.4	-41.1	175.8	-180	-94.3	0	0	0	110.9	I462 V463 R470	I462-Y466 WeakPolarHBondContact O-CB 3.48Å; I462-Y466 PolarHBondContact O-N 3.42Å; V463-Y466 WeakPolarHBondContact O-CB 3.36Å; V463-Y466 PolarHBondContact O-N 2.91Å; Y466-R470 WeakPolarHBondContact O-CB 3.42Å; Y466-R470 PolarHBondContact O-N 3.42Å
467	F	44.3	Very low	39.7	Very low	54 Å²	54	85.9 Å²	85.9	24%	0.237	47%	0.472	C	S	.	.	H	α-helix	trans	-77	-40.6	175.6	-86.5	-76.1	0	0	0	114	V463 A464 F465 A469 R470 L471 L624	V463-F467 HydrophobicContact CG1-CD2 4.14Å; V463-F467 HydrophobicContact CG1-CE2 4.36Å; V463-F467 WeakPolarHBondContact O-CD2 3.19Å; V463-F467 PolarHBondContact O-N 2.81Å; A464-F467 PolarHBondContact O-N 3.19Å; F465-F467 VanDerWaalsContact C-N 3.28Å; F465-F467 PolarHBondContact O-N 2.84Å; F467-A469 VanDerWaalsContact C-N 3.34Å; F467-R470 PolarHBondContact O-N 3.29Å; F467-L471 HydrophobicContact CD1-CD1 4.36Å; F467-L471 WeakPolarHBondContact O-CB 3.32Å; F467-L471 PolarHBondContact O-N 3.01Å; F467-L624 HydrophobicContact CE1-CD1 3.46Å; F467-L624 VanDerWaalsContact CE1-CD1 3.46Å; F467-L624 HydrophobicContact CE1-CD2 4.41Å; F467-L624 HydrophobicContact CE1-CG 4.37Å; F467-L624 HydrophobicContact CE2-CD1 4.18Å; F467-L624 HydrophobicContact CE2-CD2 3.61Å; F467-L624 HydrophobicContact CE2-CG 4.41Å; F467-L624 HydrophobicContact CZ-CB 4.43Å; F467-L624 HydrophobicContact CZ-CD1 3.18Å; F467-L624 HydrophobicContact CZ-CD2 3.47Å; F467-L624 VanDerWaalsContact CZ-CD2 3.47Å; F467-L624 HydrophobicContact CZ-CG 3.84Å
468	A	40.7	Very low	39.7	Very low	51 Å²	51	84.6 Å²	84.6	42%	0.421	46%	0.461	S	S	.	.	H	α-helix	trans	-68.1	-32.1	176.2	0	0	0	0	0	112.5	A464 F465 L471	A464-A468 WeakPolarHBondContact O-CB 3.49Å; A464-A468 PolarHBondContact O-N 2.98Å; F465-A468 PolarHBondContact O-N 2.89Å; A468-L471 CarbonylContact O-C 3.59Å
469	A	43.3	Very low	39.6	Very low	43 Å²	43	85.4 Å²	85.4	36%	0.355	46%	0.457	S	S	.	.	H	α-helix	trans	-73.5	-30.5	173.2	0	0	0	0	0	112.1	F465 F467	F465-A469 WeakPolarHBondContact O-CA 3.25Å; F465-A469 WeakPolarHBondContact O-CB 3.45Å; F465-A469 PolarHBondContact O-N 2.99Å; F467-A469 VanDerWaalsContact C-N 3.34Å
470	R	39.4	Very low	39.6	Very low	82 Å²	82	84.3 Å²	84.3	31%	0.309	46%	0.464	S	S	.	.	H	α-helix	trans	-80.2	-25.7	175.6	-163	169.8	179.9	170.1	-0.7	112.8	Y466 F467 D560	Y466-R470 WeakPolarHBondContact O-CB 3.42Å; Y466-R470 PolarHBondContact O-N 3.42Å; F467-R470 PolarHBondContact O-N 3.29Å; R470-D560 IonicContact NH2-OD2 3.48Å
471	L	41.5	Very low	39.8	Very low	27 Å²	27	85.2 Å²	85.2	14%	0.141	48%	0.478	C	S	.	.	S	Bend	trans	-128.5	90.2	-177.5	-62.6	164.3	0	0	0	109	F467 A468 A473 L618 F633	F467-L471 HydrophobicContact CD1-CD1 4.36Å; F467-L471 WeakPolarHBondContact O-CB 3.32Å; F467-L471 PolarHBondContact O-N 3.01Å; A468-L471 CarbonylContact O-C 3.59Å; L471-A473 PolarHBondContact O-N 2.8Å; L471-L618 HydrophobicContact CD2-CD2 4.1Å; L471-F633 HydrophobicContact CB-CD1 4.42Å; L471-F633 HydrophobicContact CD1-CD1 3.99Å; L471-F633 HydrophobicContact CD1-CD2 3.66Å; L471-F633 HydrophobicContact CD1-CE1 3.97Å; L471-F633 HydrophobicContact CD1-CE2 3.63Å; L471-F633 HydrophobicContact CD1-CG 3.84Å; L471-F633 HydrophobicContact CD1-CZ 3.79Å; L471-F633 HydrophobicContact CD2-CB 3.9Å; L471-F633 HydrophobicContact CD2-CD2 4.06Å; L471-F633 HydrophobicContact CD2-CG 3.96Å; L471-F633 HydrophobicContact CG-CD2 4.45Å; L471-F633 HydrophobicContact CG-CG 4.32Å
472	N	41.8	Very low	39.8	Very low	100 Å²	100	85.9 Å²	85.9	54%	0.535	48%	0.477	S	S	.	.			trans	-71.8	64.1	-178.8	-164.1	74	0	0	0	111.6	R521	N472-R521 PolarHBondContact ND2-NH2 3.5Å; N472-R521 VanDerWaalsContact ND2-NH2 3.12Å
473	A	36	Very low	39.4	Very low	48 Å²	48	86.2 Å²	86.2	40%	0.397	48%	0.483	S	S	.	.			trans	-69.3	127.2	172.7	0	0	0	0	0	108.9	L471 S475	L471-A473 PolarHBondContact O-N 2.8Å; A473-S475 PolarHBondContact O-N 3.36Å
474	P	36.7	Very low	38.9	Very low	132 Å²	132	87.3 Å²	87.3	86%	0.857	49%	0.494	S	S	*	.	S	Bend	trans	-74.9	12.2	-178.2	29.3	-32.8	0	0	0	114.2
475	S	36.2	Very low	38.6	Very low	48 Å²	48	91 Å²	91	34%	0.336	51%	0.511	S	S	.	.			trans	-141.8	118.1	175.1	56.1	0	0	0	0	112	A473 E477	A473-S475 PolarHBondContact O-N 3.36Å; S475-E477 PolarHBondContact O-N 2.76Å; S475-E477 VanDerWaalsContact O-N 3.13Å
476	L	35.3	Very low	38	Very low	162 Å²	162	91.7 Å²	91.7	85%	0.848	52%	0.516	S	S	*	.	G	3₁₀ helix	trans	-61	-8.5	162.9	-103.5	129.7	0	0	0	112.3	V478 F479	L476-V478 PolarHBondContact O-N 2.85Å; L476-F479 PolarHBondContact O-N 2.78Å
477	E	39.8	Very low	37.6	Very low	156 Å²	156	93 Å²	93	73%	0.729	54%	0.54	S	S	*	.	G	3₁₀ helix	trans	-63.9	-20.6	179.5	-61.4	-176.3	168.2	0	0	113.7	S475 F479 A480	S475-E477 PolarHBondContact O-N 2.76Å; S475-E477 VanDerWaalsContact O-N 3.13Å; E477-F479 PolarHBondContact O-N 3.36Å; E477-A480 VanDerWaalsContact O-CB 3.26Å; E477-A480 WeakPolarHBondContact O-CB 3.49Å; E477-A480 PolarHBondContact O-N 3.37Å
478	V	41.2	Very low	37	Very low	60 Å²	60	94.9 Å²	94.9	36%	0.364	55%	0.552	S	S	.	*	G	3₁₀ helix	trans	-68.6	-18.9	177.1	-175.7	0	0	0	0	112.3	L476	L476-V478 PolarHBondContact O-N 2.85Å
479	F	36.8	Very low	36.9	Very low	109 Å²	109	97.9 Å²	97.9	48%	0.478	57%	0.567	S	S	.	*	G	3₁₀ helix	trans	-102.3	-2.8	175.2	-68.2	-78.7	0	0	0	113.9	L476 E477 P481 F482	L476-F479 PolarHBondContact O-N 2.78Å; E477-F479 PolarHBondContact O-N 3.36Å; F479-P481 VanDerWaalsContact C-N 3.26Å; F479-P481 WeakPolarHBondContact O-CD 3.34Å; F479-P481 VanDerWaalsContact O-N 3.14Å; F479-F482 PolarHBondContact O-N 3.19Å
480	A	37.4	Very low	36.9	Very low	65 Å²	65	102.9 Å²	102.9	54%	0.537	59%	0.588	S	S	.	*	G	3₁₀ helix	trans	-54.7	-26.7	178.3	0	0	0	0	0	115.4	E477 F482	E477-A480 VanDerWaalsContact O-CB 3.26Å; E477-A480 WeakPolarHBondContact O-CB 3.49Å; E477-A480 PolarHBondContact O-N 3.37Å; A480-F482 VanDerWaalsContact C-N 3.25Å; A480-F482 PolarHBondContact O-N 3.41Å
481	P	40.5	Very low	36.7	Very low	102 Å²	102	108.9 Å²	108.9	66%	0.662	61%	0.61	S	S	*	*	G	3₁₀ helix	trans	-72.1	-15.8	176.7	-15.8	29.9	0	0	0	114.3	F479	F479-P481 VanDerWaalsContact C-N 3.26Å; F479-P481 WeakPolarHBondContact O-CD 3.34Å; F479-P481 VanDerWaalsContact O-N 3.14Å
482	F	38.8	Very low	36.6	Very low	120 Å²	120	113.8 Å²	113.8	53%	0.526	64%	0.635	S	S	.	*	G	3₁₀ helix	trans	-105.6	-4.4	-171.2	-63.6	-73.6	0	0	0	114	F479 A480	F479-F482 PolarHBondContact O-N 3.19Å; A480-F482 VanDerWaalsContact C-N 3.25Å; A480-F482 PolarHBondContact O-N 3.41Å
483	V	32.1	Very low	36.3	Very low	96 Å²	96	117.7 Å²	117.7	58%	0.582	65%	0.651	S	S	*	*			trans	-138.1	85.4	177.8	-165.9	0	0	0	0	108.4	V485	V483-V485 VanDerWaalsContact C-N 3.27Å; V483-V485 HydrophobicContact CG1-CG2 3.48Å; V483-V485 VanDerWaalsContact CG1-CG2 3.48Å; V483-V485 PolarHBondContact O-N 3.12Å
484	S	30	Very low	36.5	Very low	101 Å²	101	122.4 Å²	122.4	71%	0.706	66%	0.658	S	S	*	*			trans	-70.8	90.7	159.8	54.8	0	0	0	0	107.6	H486	S484-H486 PolarHBondContact O-N 3.06Å
485	V	33.3	Very low	36.8	Very low	123 Å²	123	120.5 Å²	120.5	75%	0.745	64%	0.644	S	S	*	*			trans	-75.2	87.9	164.7	-172.4	0	0	0	0	106.2	V483	V483-V485 VanDerWaalsContact C-N 3.27Å; V483-V485 HydrophobicContact CG1-CG2 3.48Å; V483-V485 VanDerWaalsContact CG1-CG2 3.48Å; V483-V485 PolarHBondContact O-N 3.12Å
486	H	29.9	Very low	37.1	Very low	151 Å²	151	124 Å²	124	70%	0.699	66%	0.663	S	S	*	*			trans	-66.6	139.8	161.7	-96.6	-47.1	0	0	0	108.4	S484 D488	S484-H486 PolarHBondContact O-N 3.06Å; H486-D488 PolarHBondContact O-N 3.37Å
487	S	34.1	Very low	37.6	Very low	124 Å²	124	118.2 Å²	118.2	87%	0.867	64%	0.643	S	S	*	*	S	Bend	trans	-69.2	25.5	-177.8	31.2	0	0	0	0	114.4
488	D	32	Very low	37.6	Very low	92 Å²	92	113 Å²	113	49%	0.492	62%	0.62	S	S	.	*			trans	-121.1	108.1	178.2	-153.4	-1.4	0	0	0	109	H486 D490 R491	H486-D488 PolarHBondContact O-N 3.37Å; D488-D490 PolarHBondContact O-N 2.92Å; D488-R491 PolarHBondContact O-N 3.08Å
489	P	39.3	Very low	37.6	Very low	115 Å²	115	118.5 Å²	118.5	75%	0.747	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.5	-17.1	-174.6	-22.6	32	0	0	0	114.8
490	D	41.8	Very low	38.1	Very low	147 Å²	147	120 Å²	120	79%	0.786	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.8	4.2	-169.2	-68.7	-28.6	0	0	0	115	D488	D488-D490 PolarHBondContact O-N 2.92Å
491	R	36.5	Very low	38.3	Very low	208 Å²	208	120.3 Å²	120.3	79%	0.785	63%	0.634	S	S	*	*			trans	-135	72.3	-179.7	-85.4	-176.2	169.5	-172.2	-0.5	114	D488 Q493	D488-R491 PolarHBondContact O-N 3.08Å; R491-Q493 PolarHBondContact O-N 3.31Å
492	I	39.1	Very low	38.5	Very low	130 Å²	130	117.7 Å²	117.7	67%	0.667	62%	0.616	S	S	*	*			trans	-84.3	98.8	164.7	-56.7	174.4	0	0	0	109	W494	I492-W494 HydrophobicContact CG2-CD2 4.5Å; I492-W494 HydrophobicContact CG2-CZ2 4.43Å
493	Q	36.1	Very low	38.9	Very low	182 Å²	182	115.6 Å²	115.6	85%	0.85	61%	0.611	S	S	*	*			trans	-81.9	115.6	165.1	-78	-170.9	-20.6	0	0	109.7	R491	R491-Q493 PolarHBondContact O-N 3.31Å
494	W	39.6	Very low	39.7	Very low	147 Å²	147	113.8 Å²	113.8	56%	0.557	61%	0.606	S	S	*	*			trans	-75.8	131.5	175	-64.6	86.7	0	0	0	110.4	I492 L498	I492-W494 HydrophobicContact CG2-CD2 4.5Å; I492-W494 HydrophobicContact CG2-CZ2 4.43Å; W494-L498 HydrophobicContact CE3-CB 3.78Å; W494-L498 HydrophobicContact CE3-CD1 3.84Å; W494-L498 HydrophobicContact CE3-CG 4.27Å; W494-L498 HydrophobicContact CZ3-CB 4.4Å; W494-L498 HydrophobicContact CZ3-CD1 4.12Å; W494-L498 HydrophobicContact CZ3-CD2 4.36Å
495	T	42.3	Very low	40.1	Very low	93 Å²	93	113.5 Å²	113.5	57%	0.571	59%	0.594	S	S	*	*			trans	-62	138.3	165.1	43.7	0	0	0	0	109.5	G497 L498	T495-G497 PolarHBondContact O-N 2.99Å; T495-L498 PolarHBondContact O-N 3.01Å
496	V	43.4	Very low	40.5	Very low	120 Å²	120	114.7 Å²	114.7	73%	0.727	59%	0.59	S	S	*	*	H	α-helix	trans	-49.3	-37	-169.3	178.4	0	0	0	0	113.2	L498 R499	V496-L498 VanDerWaalsContact C-N 3.32Å; V496-L498 PolarHBondContact O-N 3.35Å; V496-R499 PolarHBondContact O-N 3.18Å
497	G	45.7	Very low	41.1	Very low	41 Å²	41	112.6 Å²	112.6	42%	0.423	59%	0.588	S	S	.	*	H	α-helix	trans	-66.6	-23.6	179.4	0	0	0	0	0	115.5	T495 I501	T495-G497 PolarHBondContact O-N 2.99Å; G497-I501 WeakPolarHBondContact O-CG1 3.43Å
498	L	40.4	Very low	41.2	Very low	46 Å²	46	112.2 Å²	112.2	24%	0.241	58%	0.576	C	S	.	*	H	α-helix	trans	-76.2	-24.9	177.2	-87	157.5	0	0	0	112.6	K460 W494 T495 V496 V502	K460-L498 HydrophobicContact CD-CD2 4.25Å; W494-L498 HydrophobicContact CE3-CB 3.78Å; W494-L498 HydrophobicContact CE3-CD1 3.84Å; W494-L498 HydrophobicContact CE3-CG 4.27Å; W494-L498 HydrophobicContact CZ3-CB 4.4Å; W494-L498 HydrophobicContact CZ3-CD1 4.12Å; W494-L498 HydrophobicContact CZ3-CD2 4.36Å; T495-L498 PolarHBondContact O-N 3.01Å; V496-L498 VanDerWaalsContact C-N 3.32Å; V496-L498 PolarHBondContact O-N 3.35Å; L498-V502 WeakPolarHBondContact O-CB 3.45Å; L498-V502 WeakPolarHBondContact O-CG2 3.5Å; L498-V502 PolarHBondContact O-N 3.33Å
499	R	40.3	Very low	41.1	Very low	176 Å²	176	116.4 Å²	116.4	66%	0.664	60%	0.597	S	S	*	*	H	α-helix	trans	-72.8	-40.8	179.2	-166.9	177.7	-82.1	-168.8	-4.4	111.1	V496 V502 D503	V496-R499 PolarHBondContact O-N 3.18Å; R499-V502 PolarHBondContact O-N 3.25Å; R499-D503 PolarHBondContact O-N 2.97Å
500	E	46.9	Very low	40.7	Very low	141 Å²	141	116.4 Å²	116.4	66%	0.659	59%	0.591	S	S	*	*	H	α-helix	trans	-63.5	-43.1	177	-66.5	179.1	171.5	0	0	112.5	V502 D503 A504	E500-V502 VanDerWaalsContact C-N 3.31Å; E500-V502 PolarHBondContact O-N 2.94Å; E500-D503 PolarHBondContact O-N 3.36Å; E500-A504 WeakPolarHBondContact O-CB 3.37Å; E500-A504 PolarHBondContact O-N 2.8Å
501	I	43.2	Very low	40.1	Very low	71 Å²	71	117 Å²	117	36%	0.364	59%	0.588	S	S	.	*	H	α-helix	trans	-65.6	-37.2	176.9	-63.3	170.1	0	0	0	111	G497 M505	G497-I501 WeakPolarHBondContact O-CG1 3.43Å; I501-M505 HydrophobicContact CG2-SD 4.43Å; I501-M505 WeakPolarHBondContact O-CB 3.38Å; I501-M505 WeakPolarHBondContact O-CG 3.39Å; I501-M505 PolarHBondContact O-N 3.22Å
502	V	44.2	Very low	39.8	Very low	47 Å²	47	111.5 Å²	111.5	29%	0.285	58%	0.58	S	S	.	*	H	α-helix	trans	-68.3	-42.2	177.7	167.5	0	0	0	0	111.2	K460 L498 R499 E500 M505 K506	K460-V502 VanDerWaalsContact NZ-CG2 3.27Å; L498-V502 WeakPolarHBondContact O-CB 3.45Å; L498-V502 WeakPolarHBondContact O-CG2 3.5Å; L498-V502 PolarHBondContact O-N 3.33Å; R499-V502 PolarHBondContact O-N 3.25Å; E500-V502 VanDerWaalsContact C-N 3.31Å; E500-V502 PolarHBondContact O-N 2.94Å; V502-M505 PolarHBondContact O-N 2.94Å; V502-K506 WeakPolarHBondContact O-CG 3.5Å; V502-K506 PolarHBondContact O-N 2.82Å
503	D	47.6	Very low	39.5	Very low	77 Å²	77	111 Å²	111	41%	0.412	58%	0.582	S	S	.	*	H	α-helix	trans	-70.8	-34.2	178.2	-73.4	-23.3	0	0	0	112.1	R499 E500 M505 K506	R499-D503 PolarHBondContact O-N 2.97Å; E500-D503 PolarHBondContact O-N 3.36Å; D503-M505 PolarHBondContact O-N 3.06Å; D503-K506 PolarHBondContact O-N 3.15Å; D503-K506 IonicContact OD1-NZ 3.42Å; D503-K506 PolarHBondContact OD1-NZ 3.47Å
504	A	48.6	Very low	39.2	Very low	58 Å²	58	107.3 Å²	107.3	48%	0.479	57%	0.572	S	S	.	*	H	α-helix	trans	-67.3	-32	171.6	0	0	0	0	0	113.6	E500 T507	E500-A504 WeakPolarHBondContact O-CB 3.37Å; E500-A504 PolarHBondContact O-N 2.8Å; A504-T507 PolarHBondContact O-OG1 3.34Å
505	M	38.1	Very low	39	Very low	94 Å²	94	105.5 Å²	105.5	46%	0.463	57%	0.572	S	S	.	*	H	α-helix	trans	-79.1	-27.7	175.9	-79	-172.5	169.4	0	0	113.1	I501 V502 D503 T507 N508 L510	I501-M505 HydrophobicContact CG2-SD 4.43Å; I501-M505 WeakPolarHBondContact O-CB 3.38Å; I501-M505 WeakPolarHBondContact O-CG 3.39Å; I501-M505 PolarHBondContact O-N 3.22Å; V502-M505 PolarHBondContact O-N 2.94Å; D503-M505 PolarHBondContact O-N 3.06Å; M505-T507 PolarHBondContact O-N 3Å; M505-N508 CarbonylContact O-C 3.48Å; M505-N508 PolarHBondContact O-N 3.42Å; M505-N508 VanDerWaalsContact O-O 3.11Å; M505-L510 HydrophobicContact CE-CD1 4.45Å
506	K	42.3	Very low	38.4	Very low	148 Å²	148	111.3 Å²	111.3	64%	0.643	58%	0.584	S	S	*	*	H	α-helix	trans	-63.4	-31.3	172.9	-77	174.9	-169.1	158.1	0	112.5	V502 D503	V502-K506 WeakPolarHBondContact O-CG 3.5Å; V502-K506 PolarHBondContact O-N 2.82Å; D503-K506 PolarHBondContact O-N 3.15Å; D503-K506 IonicContact OD1-NZ 3.42Å; D503-K506 PolarHBondContact OD1-NZ 3.47Å
507	T	42	Very low	38.1	Very low	107 Å²	107	111.7 Å²	111.7	66%	0.656	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.7	-18.7	-179.9	45.9	0	0	0	0	113.9	A504 M505	A504-T507 PolarHBondContact O-OG1 3.34Å; M505-T507 PolarHBondContact O-N 3Å
508	N	36.3	Very low	37.9	Very low	117 Å²	117	115 Å²	115	63%	0.626	60%	0.595	S	S	*	*	S	Bend	trans	-131.4	96.9	-179	-76	-39.8	0	0	0	110.4	M505 L510	M505-N508 CarbonylContact O-C 3.48Å; M505-N508 PolarHBondContact O-N 3.42Å; M505-N508 VanDerWaalsContact O-O 3.11Å; N508-L510 PolarHBondContact O-N 2.94Å
509	L	28.9	Very low	38.2	Very low	179 Å²	179	115.3 Å²	115.3	94%	0.937	60%	0.599	S	S	*	*			trans	-58.2	97.5	169.3	-83.8	155.5	0	0	0	109.7	H511	L509-H511 PolarHBondContact O-N 3.34Å
510	L	32.2	Very low	38.8	Very low	116 Å²	116	110.8 Å²	110.8	61%	0.607	59%	0.591	S	S	*	*			trans	-70.6	116.5	172	-77.6	163.3	0	0	0	109	M505 N508	M505-L510 HydrophobicContact CE-CD1 4.45Å; N508-L510 PolarHBondContact O-N 2.94Å
511	H	27.5	Very low	39.5	Very low	159 Å²	159	110.9 Å²	110.9	74%	0.736	59%	0.586	S	S	*	*			trans	-52.9	139.7	172.6	-157.8	-77.6	0	0	0	109.8	L509 T513	L509-H511 PolarHBondContact O-N 3.34Å; H511-T513 PolarHBondContact O-N 3.17Å
512	P	31.3	Very low	40.8	Very low	93 Å²	93	108.1 Å²	108.1	60%	0.604	57%	0.572	S	S	*	*			trans	-55.3	111.7	176.3	21.4	-32.4	0	0	0	109.4	V514	P512-V514 PolarHBondContact O-N 3.36Å
513	T	32.7	Very low	42	Very low	118 Å²	118	107.3 Å²	107.3	72%	0.724	57%	0.568	S	S	*	*			trans	-67.7	100.1	175	18.9	0	0	0	0	108.4	H511 I515	H511-T513 PolarHBondContact O-N 3.17Å; T513-I515 PolarHBondContact O-N 2.93Å; T513-I515 VanDerWaalsContact O-N 3.13Å
514	V	29.9	Very low	43.6	Very low	105 Å²	105	103.8 Å²	103.8	64%	0.636	55%	0.549	S	S	*	.			trans	-62.7	110.2	165.8	179.3	0	0	0	0	106.9	P512 R516	P512-V514 PolarHBondContact O-N 3.36Å; V514-R516 HydrophobicContact CB-CG 4.48Å; V514-R516 HydrophobicContact CG1-CG 3.99Å; V514-R516 PolarHBondContact O-N 3.5Å
515	I	34.4	Very low	45.2	Very low	110 Å²	110	103.9 Å²	103.9	56%	0.564	54%	0.544	S	S	*	.			trans	-67.4	98.6	171.2	-58.2	175	0	0	0	106.4	T513 D517 V519	T513-I515 PolarHBondContact O-N 2.93Å; T513-I515 VanDerWaalsContact O-N 3.13Å; I515-D517 WeakPolarHBondContact CG2-O 3.31Å; I515-V519 HydrophobicContact CG2-CG2 4.37Å
516	R	30.5	Very low	47.3	Very low	215 Å²	215	100.4 Å²	100.4	81%	0.811	53%	0.527	S	S	*	.			trans	-80.4	-22.4	-179.5	-69	-175.8	-178.5	-167.9	0.1	112.3	V514	V514-R516 HydrophobicContact CB-CG 4.48Å; V514-R516 HydrophobicContact CG1-CG 3.99Å; V514-R516 PolarHBondContact O-N 3.5Å
517	D	36.7	Very low	49.1	Very low	128 Å²	128	95.7 Å²	95.7	68%	0.684	51%	0.511	S	S	*	.	S	Bend	trans	-103.9	143.9	-172.6	-57	-38.6	0	0	0	113	I515 V519	I515-D517 WeakPolarHBondContact CG2-O 3.31Å; D517-V519 PolarHBondContact O-N 3.23Å
518	P	41.5	Very low	50.9	Low	109 Å²	109	95 Å²	95	71%	0.708	50%	0.5	S	S	*	.			trans	-63.3	124.4	176	26	-32.1	0	0	0	110.4	V520	P518-V520 PolarHBondContact O-N 2.61Å; P518-V520 VanDerWaalsContact O-N 3.17Å
519	V	46.6	Very low	53	Low	53 Å²	53	89.7 Å²	89.7	32%	0.321	47%	0.472	S	S	.	.			trans	-68.5	111.7	172.5	-179.4	0	0	0	0	108.8	I515 D517	I515-V519 HydrophobicContact CG2-CG2 4.37Å; D517-V519 PolarHBondContact O-N 3.23Å
520	V	52.7	Low	55	Low	82 Å²	82	84.6 Å²	84.6	50%	0.497	45%	0.451	S	S	.	.	P	Polyproline II helix	trans	-96.7	131.9	176.6	-174.5	0	0	0	0	109.7	P518	P518-V520 PolarHBondContact O-N 2.61Å; P518-V520 VanDerWaalsContact O-N 3.17Å
521	R	62.3	Low	57.1	Low	143 Å²	143	84.1 Å²	84.1	54%	0.54	45%	0.449	S	S	.	.	P	Polyproline II helix	trans	-80	123.5	175.8	176.7	177.3	174.4	163	0.7	109.8	N472	N472-R521 PolarHBondContact ND2-NH2 3.5Å; N472-R521 VanDerWaalsContact ND2-NH2 3.12Å
522	L	69.8	Low	59.2	Low	13 Å²	13	79.7 Å²	79.7	7%	0.068	43%	0.431	C	S	.	.	P	Polyproline II helix	trans	-77	124.2	169.3	-60.1	-177.3	0	0	0	109.6	Y554 G555 F556 L618	L522-Y554 WeakPolarHBondContact CA-O 3.46Å; L522-G555 WeakPolarHBondContact CD2-O 3.43Å; L522-F556 HydrophobicContact CB-CE1 4.35Å; L522-F556 HydrophobicContact CB-CE2 3.95Å; L522-F556 HydrophobicContact CB-CZ 3.75Å; L522-F556 HydrophobicContact CD1-CE1 4.2Å; L522-F556 HydrophobicContact CD1-CZ 4.43Å; L522-F556 HydrophobicContact CD2-CD1 4.15Å; L522-F556 HydrophobicContact CD2-CD2 4Å; L522-F556 HydrophobicContact CD2-CE1 4.26Å; L522-F556 HydrophobicContact CD2-CE2 4.13Å; L522-F556 HydrophobicContact CD2-CG 4Å; L522-F556 HydrophobicContact CD2-CZ 4.23Å; L522-F556 HydrophobicContact CG-CZ 4.36Å; L522-L618 HydrophobicContact CD1-CD2 3.64Å
523	S	70.9	Confident	61.1	Low	29 Å²	29	77.9 Å²	77.9	20%	0.203	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	140.1	177.6	-169	0	0	0	0	110.4	L553 Y554	S523-L553 CarbonylContact O-C 3.57Å; S523-Y554 PolarHBondContact N-O 3.41Å; S523-Y554 VanDerWaalsContact N-O 3.11Å; S523-Y554 PolarHBondContact O-N 3.26Å
524	A	80.8	Confident	63	Low	3 Å²	3	79 Å²	79	3%	0.025	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	135.3	173.5	0	0	0	0	0	110	N552 L553 V616 I635 S636	A524-N552 CarbonylContact C-O 3.58Å; A524-N552 WeakPolarHBondContact CA-O 3.33Å; A524-L553 HydrophobicContact CB-CD2 3.55Å; A524-V616 HydrophobicContact CB-CB 3.9Å; A524-V616 HydrophobicContact CB-CG1 4.05Å; A524-V616 HydrophobicContact CB-CG2 4.26Å; A524-I635 HydrophobicContact CB-CB 4.49Å; A524-I635 HydrophobicContact CB-CD1 3.98Å; A524-I635 HydrophobicContact CB-CG1 3.99Å; A524-I635 PolarHBondContact N-O 3.33Å; A524-S636 VanDerWaalsContact O-CA 3.27Å; A524-S636 WeakPolarHBondContact O-CA 3.23Å; A524-S636 WeakPolarHBondContact O-CB 3.38Å
525	V	80.8	Confident	65.4	Low	60 Å²	60	77 Å²	77	36%	0.364	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	114.6	173.7	179.5	0	0	0	0	107.9	T527 A551 N552 Y554	V525-T527 PolarHBondContact O-N 3.31Å; V525-A551 CarbonylContact O-C 3.59Å; V525-A551 WeakPolarHBondContact O-CA 3.43Å; V525-N552 PolarHBondContact N-O 3.41Å; V525-N552 PolarHBondContact O-N 3.09Å; V525-Y554 HydrophobicContact CB-CE2 4.39Å; V525-Y554 HydrophobicContact CG2-CD2 4.49Å; V525-Y554 HydrophobicContact CG2-CE2 3.93Å
526	I	83.9	Confident	67.8	Low	21 Å²	21	74 Å²	74	11%	0.108	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	120.6	174.8	-58.9	173.7	0	0	0	107.5	E528 A550 A551 V616 S636 V639	I526-E528 WeakPolarHBondContact CG2-O 3.48Å; I526-A550 CarbonylContact C-O 3.47Å; I526-A550 WeakPolarHBondContact CA-O 3.48Å; I526-A551 HydrophobicContact CG1-CB 4.33Å; I526-V616 HydrophobicContact CD1-CG2 4.04Å; I526-V616 HydrophobicContact CG1-CG2 3.8Å; I526-S636 WeakPolarHBondContact CD1-OG 3.36Å; I526-V639 HydrophobicContact CB-CG2 3.91Å; I526-V639 HydrophobicContact CD1-CG2 4.04Å; I526-V639 HydrophobicContact CG2-CG2 3.92Å
527	T	79.5	Confident	70.4	Confident	50 Å²	50	66.5 Å²	66.5	31%	0.307	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	-33.1	176	54.4	0	0	0	0	111.3	V525 A550	V525-T527 PolarHBondContact O-N 3.31Å; T527-A550 PolarHBondContact N-O 2.95Å; T527-A550 VanDerWaalsContact OG1-CB 3.24Å; T527-A550 WeakPolarHBondContact OG1-CB 3.33Å; T527-A550 PolarHBondContact OG1-O 3.01Å; T527-A550 VanDerWaalsContact OG1-O 3.1Å
528	E	80.4	Confident	72.8	Confident	92 Å²	92	67.6 Å²	67.6	43%	0.43	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	141.6	175.2	-61.6	-177.6	166.6	0	0	110.2	I526 L549 A550	I526-E528 WeakPolarHBondContact CG2-O 3.48Å; E528-L549 VanDerWaalsContact O-CA 3.26Å; E528-L549 WeakPolarHBondContact O-CA 3.24Å; E528-A550 HydrophobicContact CB-CB 4.01Å; E528-A550 HydrophobicContact CG-CB 4.3Å; E528-A550 PolarHBondContact N-O 3.17Å; E528-A550 PolarHBondContact O-N 3.32Å
529	P	79.9	Confident	75.1	Confident	6 Å²	6	63.5 Å²	63.5	4%	0.039	34%	0.336	C	S	.	.	S	Bend	cis	-68.2	161.6	-1	28.6	-33	0	0	0	112.1	I547 L614 V639 A641	P529-I547 HydrophobicContact CG-CG2 4.19Å; P529-L614 HydrophobicContact CG-CD1 3.53Å; P529-V639 HydrophobicContact CG-CG1 4.07Å; P529-V639 VanDerWaalsContact O-CG1 3.31Å; P529-V639 WeakPolarHBondContact O-CG1 3.48Å; P529-A641 HydrophobicContact CG-CB 4.09Å
530	S	71.2	Confident	77.1	Confident	72 Å²	72	62 Å²	62	50%	0.503	33%	0.329	S	S	.	.			trans	-81.9	144.1	169.9	60.3	0	0	0	0	109.6	N532	S530-N532 PolarHBondContact O-N 3.22Å
531	D	74.8	Confident	78.5	Confident	105 Å²	105	58.7 Å²	58.7	56%	0.561	31%	0.311	S	S	*	.			trans	-73.2	69.5	173.9	-165.7	2.7	0	0	0	109.6	V639 R640	D531-V639 HydrophobicContact CB-CG1 4.2Å; D531-R640 WeakPolarHBondContact OD1-CB 3.49Å
532	N	72.5	Confident	79.5	Confident	67 Å²	67	56.6 Å²	56.6	36%	0.358	32%	0.319	S	S	.	.			trans	-125.2	108.6	-177.3	-171.6	-4.4	0	0	0	109.8	S530 N534 V535	S530-N532 PolarHBondContact O-N 3.22Å; N532-N534 PolarHBondContact O-N 2.87Å; N532-N534 VanDerWaalsContact O-N 3.07Å; N532-N534 WeakPolarHBondContact OD1-CB 3.43Å; N532-N534 PolarHBondContact OD1-N 3.43Å; N532-N534 VanDerWaalsContact OD1-N 3.15Å; N532-V535 PolarHBondContact O-N 3.31Å; N532-V535 VanDerWaalsContact O-N 3.15Å
533	A	70.4	Confident	80.4	Confident	55 Å²	55	60.7 Å²	60.7	46%	0.455	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-18.1	-179.7	0	0	0	0	0	114.1	V535	A533-V535 VanDerWaalsContact C-N 3.3Å; A533-V535 PolarHBondContact O-N 3.28Å
534	N	73.5	Confident	81.3	Confident	141 Å²	141	64.6 Å²	64.6	75%	0.754	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.3	-20.9	179.6	-65.6	-15.9	0	0	0	113	N532 I536	N532-N534 PolarHBondContact O-N 2.87Å; N532-N534 VanDerWaalsContact O-N 3.07Å; N532-N534 WeakPolarHBondContact OD1-CB 3.43Å; N532-N534 PolarHBondContact OD1-N 3.43Å; N532-N534 VanDerWaalsContact OD1-N 3.15Å; N534-I536 PolarHBondContact O-N 3.46Å
535	V	80.2	Confident	81.7	Confident	64 Å²	64	65.5 Å²	65.5	39%	0.388	36%	0.362	S	S	.	.			trans	-92.8	104.7	-179.6	-176	0	0	0	0	109.1	N532 A533 Y537	N532-V535 PolarHBondContact O-N 3.31Å; N532-V535 VanDerWaalsContact O-N 3.15Å; A533-V535 VanDerWaalsContact C-N 3.3Å; A533-V535 PolarHBondContact O-N 3.28Å; V535-Y537 HydrophobicContact CG1-CE2 4.19Å
536	I	84	Confident	82.2	Confident	47 Å²	47	64.9 Å²	64.9	24%	0.241	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	114.4	179.2	-56.5	174	0	0	0	109.7	N534 R538 H642	N534-I536 PolarHBondContact O-N 3.46Å; I536-R538 HydrophobicContact CG2-CG 4.12Å; I536-R538 PolarHBondContact O-N 3Å; I536-H642 WeakPolarHBondContact CA-O 3.4Å; I536-H642 HydrophobicContact CG1-CB 4.25Å
537	Y	85.6	Confident	82.5	Confident	57 Å²	57	63.9 Å²	63.9	22%	0.224	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	107.1	173.3	-63	-86.7	0	0	0	110.2	V535 L545 I547 A641 H642 Y644	V535-Y537 HydrophobicContact CG1-CE2 4.19Å; Y537-L545 HydrophobicContact CG-CD2 4.36Å; Y537-I547 HydrophobicContact CE2-CG2 4.43Å; Y537-A641 HydrophobicContact CE2-CB 4.3Å; Y537-H642 PolarHBondContact N-O 3.29Å; Y537-Y644 PolarHBondContact O-N 3.01Å
538	R	87.6	Confident	83	Confident	150 Å²	150	63.9 Å²	63.9	57%	0.566	36%	0.359	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.7	131.2	178.9	-61.4	-176.2	177.5	83.9	-1.6	110	I536 Y644	I536-R538 HydrophobicContact CG2-CG 4.12Å; I536-R538 PolarHBondContact O-N 3Å; R538-Y644 WeakPolarHBondContact CA-O 3.36Å; R538-Y644 HydrophobicContact CG-CD1 4.2Å
539	F	90.1	Very high	83.4	Confident	23 Å²	23	59.6 Å²	59.6	10%	0.101	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	166.1	174.6	73.9	-68.7	0	0	0	110.2	L543 L545 L601 A603 V643 Y644 P645 K646	F539-L543 WeakPolarHBondContact CE2-O 3.3Å; F539-L545 HydrophobicContact CB-CB 4.19Å; F539-L545 HydrophobicContact CB-CD1 4.26Å; F539-L545 HydrophobicContact CD1-CB 3.93Å; F539-L545 HydrophobicContact CD1-CD2 3.84Å; F539-L545 HydrophobicContact CD1-CG 4.36Å; F539-L545 HydrophobicContact CD2-CB 3.9Å; F539-L545 HydrophobicContact CE1-CB 4.25Å; F539-L545 HydrophobicContact CE1-CD2 4.15Å; F539-L545 HydrophobicContact CE2-CB 4.23Å; F539-L545 HydrophobicContact CG-CB 3.74Å; F539-L545 HydrophobicContact CG-CD2 4.41Å; F539-L545 HydrophobicContact CG-CG 4.46Å; F539-L545 HydrophobicContact CZ-CB 4.37Å; F539-L601 HydrophobicContact CE1-CD2 3.94Å; F539-L601 HydrophobicContact CE2-CD2 4.45Å; F539-L601 HydrophobicContact CZ-CD2 3.55Å; F539-A603 HydrophobicContact CZ-CB 4.21Å; F539-V643 HydrophobicContact CD1-CG1 3.95Å; F539-V643 HydrophobicContact CE1-CG1 3.37Å; F539-V643 HydrophobicContact CZ-CG1 4.39Å; F539-Y644 PolarHBondContact N-O 3.32Å; F539-P645 HydrophobicContact CD1-CB 4.2Å; F539-P645 HydrophobicContact CE1-CB 3.51Å; F539-P645 HydrophobicContact CE1-CG 4.07Å; F539-P645 HydrophobicContact CE2-CB 4.2Å; F539-P645 HydrophobicContact CZ-CB 3.55Å; F539-P645 HydrophobicContact CZ-CG 4.24Å; F539-P645 CarbonylContact O-C 3.52Å; F539-P645 VanDerWaalsContact O-CA 3.31Å; F539-P645 WeakPolarHBondContact O-CA 3.49Å; F539-K646 PolarHBondContact O-N 3.25Å
540	A	87.4	Confident	83.8	Confident	21 Å²	21	59.4 Å²	59.4	17%	0.174	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	134	173.4	0	0	0	0	0	111	L543 K646 I648	A540-L543 HydrophobicContact CB-CB 4.45Å; A540-L543 HydrophobicContact CB-CD1 3.75Å; A540-L543 HydrophobicContact CB-CG 3.99Å; A540-L543 WeakPolarHBondContact O-CB 3.28Å; A540-L543 PolarHBondContact O-N 2.88Å; A540-L543 VanDerWaalsContact O-N 3.09Å; A540-K646 CarbonylContact C-O 3.32Å; A540-I648 HydrophobicContact CB-CD1 3.4Å; A540-I648 VanDerWaalsContact CB-CD1 3.4Å; A540-I648 HydrophobicContact CB-CG1 3.42Å; A540-I648 VanDerWaalsContact CB-CG1 3.42Å
541	G	83.6	Confident	84.5	Confident	13 Å²	13	56 Å²	56	13%	0.134	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54	142.4	175.6	0	0	0	0	0	111.2	L543 K646	G541-L543 PolarHBondContact O-N 3.29Å; G541-K646 PolarHBondContact N-O 3.44Å
542	S	83.1	Confident	84.8	Confident	99 Å²	99	51.6 Å²	51.6	69%	0.692	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.5	-3.7	-174.5	-43.1	0	0	0	0	116.2	A603	S542-A603 PolarHBondContact N-O 2.88Å
543	L	88.6	Confident	85.2	Confident	99 Å²	99	48.4 Å²	48.4	52%	0.518	27%	0.273	S	S	.	.	S	Bend	trans	-87.7	170.5	167.1	-60.9	-169.5	0	0	0	111.6	F539 A540 G541	F539-L543 WeakPolarHBondContact CE2-O 3.3Å; A540-L543 HydrophobicContact CB-CB 4.45Å; A540-L543 HydrophobicContact CB-CD1 3.75Å; A540-L543 HydrophobicContact CB-CG 3.99Å; A540-L543 WeakPolarHBondContact O-CB 3.28Å; A540-L543 PolarHBondContact O-N 2.88Å; A540-L543 VanDerWaalsContact O-N 3.09Å; G541-L543 PolarHBondContact O-N 3.29Å
544	I	89	Confident	85.3	Confident	112 Å²	112	49.1 Å²	49.1	57%	0.574	27%	0.265	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.2	124.5	177.8	-59.4	169.1	0	0	0	108.7	L600 L601 T602	I544-L600 HydrophobicContact CG2-CB 3.88Å; I544-L600 HydrophobicContact CG2-CD2 3.93Å; I544-L600 HydrophobicContact CG2-CG 4.33Å; I544-L601 WeakPolarHBondContact CA-O 3.42Å; I544-T602 HydrophobicContact CB-CG2 4.29Å; I544-T602 HydrophobicContact CG1-CG2 3.58Å
545	L	90.5	Very high	85	Confident	22 Å²	22	43.5 Å²	43.5	12%	0.115	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	129.1	165	173.9	66.8	0	0	0	109	Y537 F539 I547 L600 L601 V643	Y537-L545 HydrophobicContact CG-CD2 4.36Å; F539-L545 HydrophobicContact CB-CB 4.19Å; F539-L545 HydrophobicContact CB-CD1 4.26Å; F539-L545 HydrophobicContact CD1-CB 3.93Å; F539-L545 HydrophobicContact CD1-CD2 3.84Å; F539-L545 HydrophobicContact CD1-CG 4.36Å; F539-L545 HydrophobicContact CD2-CB 3.9Å; F539-L545 HydrophobicContact CE1-CB 4.25Å; F539-L545 HydrophobicContact CE1-CD2 4.15Å; F539-L545 HydrophobicContact CE2-CB 4.23Å; F539-L545 HydrophobicContact CG-CB 3.74Å; F539-L545 HydrophobicContact CG-CD2 4.41Å; F539-L545 HydrophobicContact CG-CG 4.46Å; F539-L545 HydrophobicContact CZ-CB 4.37Å; L545-I547 HydrophobicContact CD2-CD1 4.01Å; L545-I547 HydrophobicContact CD2-CG1 3.79Å; L545-I547 HydrophobicContact CG-CG1 3.94Å; L545-L600 WeakPolarHBondContact O-CA 3.25Å; L545-L601 HydrophobicContact CB-CB 4.45Å; L545-L601 PolarHBondContact N-O 3.36Å; L545-L601 PolarHBondContact O-N 3.42Å; L545-V643 HydrophobicContact CD2-CG1 3.8Å; L545-V643 HydrophobicContact CD2-CG2 4.25Å
546	A	91	Very high	84.6	Confident	47 Å²	47	41.1 Å²	41.1	39%	0.388	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	110.1	170.4	0	0	0	0	0	109.3	N598 L600	A546-N598 HydrophobicContact CB-CB 4.19Å; A546-L600 HydrophobicContact CB-CD2 3.96Å
547	I	90.2	Very high	84	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	118.6	173.1	-57.4	177.7	0	0	0	107.7	P529 Y537 L545 L549 V599 L601 L614 A641 V643	P529-I547 HydrophobicContact CG-CG2 4.19Å; Y537-I547 HydrophobicContact CE2-CG2 4.43Å; L545-I547 HydrophobicContact CD2-CD1 4.01Å; L545-I547 HydrophobicContact CD2-CG1 3.79Å; L545-I547 HydrophobicContact CG-CG1 3.94Å; I547-L549 PolarHBondContact O-N 3.1Å; I547-V599 PolarHBondContact N-O 3.14Å; I547-V599 PolarHBondContact O-N 2.87Å; I547-L601 HydrophobicContact CD1-CD1 4.21Å; I547-L614 HydrophobicContact CG2-CD1 4.29Å; I547-A641 HydrophobicContact CD1-CB 4.41Å; I547-V643 HydrophobicContact CD1-CG2 3.82Å
548	P	88.8	Confident	83.2	Confident	49 Å²	49	46.2 Å²	46.2	32%	0.318	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	130.1	175.6	27.2	-32.8	0	0	0	109.8	N598	P548-N598 WeakPolarHBondContact CA-OD1 3.44Å
549	L	90.2	Very high	82.3	Confident	3 Å²	3	45.1 Å²	45.1	2%	0.016	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	118	174	-176.4	147.3	0	0	0	109.5	E528 I547 A551 V566 L595 R596 T597 V599 L614	E528-L549 VanDerWaalsContact O-CA 3.26Å; E528-L549 WeakPolarHBondContact O-CA 3.24Å; I547-L549 PolarHBondContact O-N 3.1Å; L549-A551 HydrophobicContact CD2-CB 4.12Å; L549-V566 HydrophobicContact CD1-CG1 3.71Å; L549-V566 HydrophobicContact CD1-CG2 4.29Å; L549-V566 HydrophobicContact CD2-CG2 4.31Å; L549-L595 HydrophobicContact CD2-CD2 3.99Å; L549-L595 HydrophobicContact CD2-CG 4.33Å; L549-R596 WeakPolarHBondContact O-CA 3.5Å; L549-T597 WeakPolarHBondContact CA-O 3.38Å; L549-T597 HydrophobicContact CB-CG2 4.38Å; L549-T597 HydrophobicContact CD2-CG2 4.3Å; L549-T597 PolarHBondContact N-O 3.21Å; L549-T597 PolarHBondContact O-N 3.5Å; L549-T597 VanDerWaalsContact O-O 3.11Å; L549-V599 HydrophobicContact CB-CG2 3.68Å; L549-V599 HydrophobicContact CD1-CG2 3.85Å; L549-V599 HydrophobicContact CG-CG2 4.37Å; L549-L614 HydrophobicContact CD1-CD2 4.33Å
550	A	87	Confident	81.4	Confident	2 Å²	2	44.4 Å²	44.4	2%	0.017	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	130.7	171.3	0	0	0	0	0	108.9	I526 T527 E528 L595 R596	I526-A550 CarbonylContact C-O 3.47Å; I526-A550 WeakPolarHBondContact CA-O 3.48Å; T527-A550 PolarHBondContact N-O 2.95Å; T527-A550 VanDerWaalsContact OG1-CB 3.24Å; T527-A550 WeakPolarHBondContact OG1-CB 3.33Å; T527-A550 PolarHBondContact OG1-O 3.01Å; T527-A550 VanDerWaalsContact OG1-O 3.1Å; E528-A550 HydrophobicContact CB-CB 4.01Å; E528-A550 HydrophobicContact CG-CB 4.3Å; E528-A550 PolarHBondContact N-O 3.17Å; E528-A550 PolarHBondContact O-N 3.32Å; A550-L595 CarbonylContact C-O 3.52Å; A550-L595 VanDerWaalsContact CA-O 3.28Å; A550-L595 WeakPolarHBondContact CA-O 3.48Å; A550-R596 HydrophobicContact CB-CG 4.06Å
551	A	85.8	Confident	81	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	138.5	177.4	0	0	0	0	0	112.1	V525 I526 L549 L595 V616	V525-A551 CarbonylContact O-C 3.59Å; V525-A551 WeakPolarHBondContact O-CA 3.43Å; I526-A551 HydrophobicContact CG1-CB 4.33Å; L549-A551 HydrophobicContact CD2-CB 4.12Å; A551-L595 HydrophobicContact CB-CB 4.49Å; A551-L595 PolarHBondContact N-O 3.11Å; A551-L595 PolarHBondContact O-N 3.19Å; A551-V616 HydrophobicContact CB-CG2 4.15Å
552	N	81.6	Confident	80.7	Confident	12 Å²	12	46 Å²	46	6%	0.064	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	125.6	173.9	-67.4	-24	0	0	0	109.7	A524 V525 Y554 F592 R594	A524-N552 CarbonylContact C-O 3.58Å; A524-N552 WeakPolarHBondContact CA-O 3.33Å; V525-N552 PolarHBondContact N-O 3.41Å; V525-N552 PolarHBondContact O-N 3.09Å; N552-Y554 HydrophobicContact CB-CE2 4Å; N552-F592 HydrophobicContact CB-CD2 3.95Å; N552-F592 HydrophobicContact CB-CE2 4.17Å; N552-R594 PolarHBondContact OD1-NE 2.88Å
553	L	81.3	Confident	80.5	Confident	0 Å²	0	45 Å²	45	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	102.7	-172.1	-52.9	177.8	0	0	0	110.8	S523 A524 F556 L564 F585 F592 I593 L595 V616	S523-L553 CarbonylContact O-C 3.57Å; A524-L553 HydrophobicContact CB-CD2 3.55Å; L553-F556 HydrophobicContact CB-CD2 3.51Å; L553-F556 HydrophobicContact CB-CE2 3.91Å; L553-F556 HydrophobicContact CB-CG 4.06Å; L553-F556 HydrophobicContact CD2-CE2 4.47Å; L553-L564 HydrophobicContact CD1-CD1 3.49Å; L553-L564 VanDerWaalsContact CD1-CD1 3.49Å; L553-L564 HydrophobicContact CD2-CD1 3.6Å; L553-L564 HydrophobicContact CG-CD1 4.19Å; L553-F585 HydrophobicContact CD1-CD1 4.04Å; L553-F585 HydrophobicContact CD1-CE1 3.89Å; L553-F592 CarbonylContact O-C 3.3Å; L553-F592 WeakPolarHBondContact O-CA 3.42Å; L553-F592 WeakPolarHBondContact O-CB 3.47Å; L553-I593 WeakPolarHBondContact CA-O 3.31Å; L553-I593 HydrophobicContact CB-CB 4.27Å; L553-I593 WeakPolarHBondContact CB-O 3.46Å; L553-I593 HydrophobicContact CD1-CB 4.44Å; L553-I593 HydrophobicContact CD1-CG2 4.41Å; L553-I593 WeakPolarHBondContact CG-O 3.41Å; L553-I593 PolarHBondContact N-O 3.32Å; L553-I593 PolarHBondContact O-N 3.25Å; L553-L595 HydrophobicContact CD1-CB 4.09Å; L553-L595 HydrophobicContact CG-CB 4.36Å; L553-V616 HydrophobicContact CD2-CG1 4.44Å
554	Y	73	Confident	80.4	Confident	70 Å²	70	40.4 Å²	40.4	28%	0.275	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	130.8	-178.1	-59.4	-83.3	0	0	0	111.8	L522 S523 V525 N552 F556 F592	L522-Y554 WeakPolarHBondContact CA-O 3.46Å; S523-Y554 PolarHBondContact N-O 3.41Å; S523-Y554 VanDerWaalsContact N-O 3.11Å; S523-Y554 PolarHBondContact O-N 3.26Å; V525-Y554 HydrophobicContact CB-CE2 4.39Å; V525-Y554 HydrophobicContact CG2-CD2 4.49Å; V525-Y554 HydrophobicContact CG2-CE2 3.93Å; N552-Y554 HydrophobicContact CB-CE2 4Å; Y554-F556 VanDerWaalsContact O-CD2 3.24Å; Y554-F556 WeakPolarHBondContact O-CD2 3.26Å; Y554-F556 WeakPolarHBondContact O-CE2 3.48Å; Y554-F592 HydrophobicContact CD1-CB 3.67Å; Y554-F592 HydrophobicContact CD1-CD1 4.31Å; Y554-F592 HydrophobicContact CD1-CG 4.23Å; Y554-F592 HydrophobicContact CE1-CB 3.91Å; Y554-F592 AromaticContact CE1-CD1 3.82Å; Y554-F592 HydrophobicContact CE1-CD1 3.82Å; Y554-F592 AromaticContact CE1-CG 3.95Å; Y554-F592 HydrophobicContact CE1-CG 3.95Å; Y554-F592 HydrophobicContact CG-CB 4.22Å
555	G	67.4	Low	80.4	Confident	24 Å²	24	37.2 Å²	37.2	25%	0.247	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.6	9.5	173.3	0	0	0	0	0	116	L522	L522-G555 WeakPolarHBondContact CD2-O 3.43Å
556	F	71.6	Confident	80.4	Confident	13 Å²	13	36.1 Å²	36.1	6%	0.057	20%	0.196	C	C	.	.			trans	-83.8	135.9	-179.7	-72	-100.2	0	0	0	111	L522 L553 Y554 D560 V561 L564 I593 L618 I635	L522-F556 HydrophobicContact CB-CE1 4.35Å; L522-F556 HydrophobicContact CB-CE2 3.95Å; L522-F556 HydrophobicContact CB-CZ 3.75Å; L522-F556 HydrophobicContact CD1-CE1 4.2Å; L522-F556 HydrophobicContact CD1-CZ 4.43Å; L522-F556 HydrophobicContact CD2-CD1 4.15Å; L522-F556 HydrophobicContact CD2-CD2 4Å; L522-F556 HydrophobicContact CD2-CE1 4.26Å; L522-F556 HydrophobicContact CD2-CE2 4.13Å; L522-F556 HydrophobicContact CD2-CG 4Å; L522-F556 HydrophobicContact CD2-CZ 4.23Å; L522-F556 HydrophobicContact CG-CZ 4.36Å; L553-F556 HydrophobicContact CB-CD2 3.51Å; L553-F556 HydrophobicContact CB-CE2 3.91Å; L553-F556 HydrophobicContact CB-CG 4.06Å; L553-F556 HydrophobicContact CD2-CE2 4.47Å; Y554-F556 VanDerWaalsContact O-CD2 3.24Å; Y554-F556 WeakPolarHBondContact O-CD2 3.26Å; Y554-F556 WeakPolarHBondContact O-CE2 3.48Å; F556-D560 HydrophobicContact CD1-CB 4.1Å; F556-V561 HydrophobicContact CB-CG2 4.36Å; F556-L564 HydrophobicContact CE1-CD1 4.22Å; F556-I593 HydrophobicContact CB-CD1 4.03Å; F556-I593 WeakPolarHBondContact O-CD1 3.46Å; F556-L618 HydrophobicContact CE1-CD1 4.29Å; F556-I635 HydrophobicContact CE1-CD1 3.95Å; F556-I635 HydrophobicContact CE2-CD1 4.4Å; F556-I635 HydrophobicContact CZ-CD1 3.4Å
557	D	69.8	Low	80.3	Confident	111 Å²	111	36.3 Å²	36.3	59%	0.594	19%	0.186	S	C	*	.			trans	-92.7	159.5	161.7	-62.3	-30.2	0	0	0	109.8	D559 D560 V561	D557-D559 PolarHBondContact O-N 2.67Å; D557-D559 VanDerWaalsContact O-N 3.1Å; D557-D560 WeakPolarHBondContact O-CB 3.43Å; D557-D560 PolarHBondContact O-N 3.1Å; D557-V561 PolarHBondContact O-N 2.97Å; D557-V561 VanDerWaalsContact O-N 3.16Å
558	M	68.8	Low	80.4	Confident	100 Å²	100	36.5 Å²	36.5	49%	0.493	19%	0.187	S	C	.	.	H	α-helix	trans	-59.1	-25.2	-179	-71.8	-62.5	-106.8	0	0	114	V561 I593	M558-V561 HydrophobicContact SD-CG2 4.35Å; M558-I593 HydrophobicContact SD-CD1 3.95Å
559	D	69.1	Low	80.5	Confident	128 Å²	128	35.9 Å²	35.9	68%	0.684	18%	0.181	S	C	*	.	H	α-helix	trans	-72.6	-32.8	173.6	-71.8	-27.4	0	0	0	112.9	D557	D557-D559 PolarHBondContact O-N 2.67Å; D557-D559 VanDerWaalsContact O-N 3.1Å
560	D	72.3	Confident	80.5	Confident	8 Å²	8	36.3 Å²	36.3	4%	0.043	18%	0.182	C	C	.	.	H	α-helix	trans	-76.3	-31.7	178	-76.9	-21.5	0	0	0	111.1	R470 F556 D557 C562 R563	R470-D560 IonicContact NH2-OD2 3.48Å; F556-D560 HydrophobicContact CD1-CB 4.1Å; D557-D560 WeakPolarHBondContact O-CB 3.43Å; D557-D560 PolarHBondContact O-N 3.1Å; D560-C562 PolarHBondContact O-N 3.41Å; D560-R563 PolarHBondContact O-N 3.33Å; D560-R563 IonicContact OD1-CZ 2.69Å; D560-R563 VanDerWaalsContact OD1-CZ 3.23Å; D560-R563 IonicContact OD1-NH1 3.89Å; D560-R563 PolarHBondContact OD1-NH1 2.97Å; D560-R563 IonicContact OD1-NH2 2.91Å; D560-R563 PolarHBondContact OD1-NH2 2.99Å
561	V	77.5	Confident	80.5	Confident	10 Å²	10	39.2 Å²	39.2	6%	0.061	20%	0.201	C	C	.	.	H	α-helix	trans	-54.4	-35.4	174.7	173.1	0	0	0	0	112.2	F556 D557 M558 R563 L564 F585 I593	F556-V561 HydrophobicContact CB-CG2 4.36Å; D557-V561 PolarHBondContact O-N 2.97Å; D557-V561 VanDerWaalsContact O-N 3.16Å; M558-V561 HydrophobicContact SD-CG2 4.35Å; V561-R563 PolarHBondContact O-N 2.84Å; V561-R563 VanDerWaalsContact O-N 3.16Å; V561-L564 WeakPolarHBondContact O-CB 3.17Å; V561-L564 PolarHBondContact O-N 2.96Å; V561-L564 VanDerWaalsContact O-N 3.16Å; V561-F585 HydrophobicContact CG1-CB 4.39Å; V561-F585 HydrophobicContact CG1-CD1 3.44Å; V561-F585 VanDerWaalsContact CG1-CD1 3.44Å; V561-F585 HydrophobicContact CG1-CD2 3.49Å; V561-F585 VanDerWaalsContact CG1-CD2 3.49Å; V561-F585 HydrophobicContact CG1-CE1 3.37Å; V561-F585 HydrophobicContact CG1-CE2 3.42Å; V561-F585 VanDerWaalsContact CG1-CE2 3.42Å; V561-F585 HydrophobicContact CG1-CG 3.49Å; V561-F585 VanDerWaalsContact CG1-CG 3.49Å; V561-F585 HydrophobicContact CG1-CZ 3.35Å; V561-I593 HydrophobicContact CG2-CD1 3.54Å
562	C	79.3	Confident	80.7	Confident	56 Å²	56	44 Å²	44	38%	0.378	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-22.8	178.3	-72.8	0	0	0	0	113.8	D560 R565	D560-C562 PolarHBondContact O-N 3.41Å; C562-R565 PolarHBondContact O-NH1 3.25Å
563	R	77.6	Confident	80.9	Confident	80 Å²	80	48.9 Å²	48.9	30%	0.302	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.7	-8.9	-179.5	-56.9	-174.5	-138.4	137.6	19.8	113.3	D560 V561 L618 L619	D560-R563 PolarHBondContact O-N 3.33Å; D560-R563 IonicContact OD1-CZ 2.69Å; D560-R563 VanDerWaalsContact OD1-CZ 3.23Å; D560-R563 IonicContact OD1-NH1 3.89Å; D560-R563 PolarHBondContact OD1-NH1 2.97Å; D560-R563 IonicContact OD1-NH2 2.91Å; D560-R563 PolarHBondContact OD1-NH2 2.99Å; V561-R563 PolarHBondContact O-N 2.84Å; V561-R563 VanDerWaalsContact O-N 3.16Å; R563-L618 HydrophobicContact CB-CD1 3.84Å; R563-L619 WeakPolarHBondContact O-CG 3.43Å; R563-L619 PolarHBondContact O-N 3.43Å; R563-L619 VanDerWaalsContact O-N 3.09Å
564	L	86.4	Confident	81.3	Confident	1 Å²	1	51.9 Å²	51.9	1%	0.005	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	136.2	178.3	-170.6	149.3	0	0	0	110.6	L553 F556 V561 P580 F585 L595 V616 I635	L553-L564 HydrophobicContact CD1-CD1 3.49Å; L553-L564 VanDerWaalsContact CD1-CD1 3.49Å; L553-L564 HydrophobicContact CD2-CD1 3.6Å; L553-L564 HydrophobicContact CG-CD1 4.19Å; F556-L564 HydrophobicContact CE1-CD1 4.22Å; V561-L564 WeakPolarHBondContact O-CB 3.17Å; V561-L564 PolarHBondContact O-N 2.96Å; V561-L564 VanDerWaalsContact O-N 3.16Å; L564-P580 HydrophobicContact CD2-CG 3.92Å; L564-F585 HydrophobicContact CD2-CE1 4.38Å; L564-F585 HydrophobicContact CD2-CZ 4.35Å; L564-L595 HydrophobicContact CD2-CD2 3.79Å; L564-V616 HydrophobicContact CD1-CG1 3.76Å; L564-V616 HydrophobicContact CD2-CG1 3.73Å; L564-V616 HydrophobicContact CG-CG1 3.69Å; L564-I635 HydrophobicContact CD1-CD1 4.12Å
565	R	88.7	Confident	82	Confident	45 Å²	45	52.4 Å²	52.4	17%	0.17	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	153.5	172.8	-61.9	-65.4	179.1	-86.6	-4.5	109.3	C562 F578 V617 L619	C562-R565 PolarHBondContact O-NH1 3.25Å; R565-F578 CarbonylContact C-O 3.51Å; R565-F578 VanDerWaalsContact CA-O 3.24Å; R565-F578 WeakPolarHBondContact CA-O 3.45Å; R565-F578 WeakPolarHBondContact CD-O 3.38Å; R565-V617 HydrophobicContact CB-CG2 3.81Å; R565-V617 PolarHBondContact N-O 3.26Å; R565-V617 WeakPolarHBondContact O-CG2 3.41Å; R565-V617 PolarHBondContact O-N 3.42Å; R565-L619 HydrophobicContact CG-CD1 3.59Å; R565-L619 HydrophobicContact CG-CD2 4.27Å; R565-L619 HydrophobicContact CG-CG 3.76Å
566	V	90.3	Very high	83	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	121.8	167.1	178.9	0	0	0	0	107.4	L549 L577 F578 P580 L595 V599 L614 S615	L549-V566 HydrophobicContact CD1-CG1 3.71Å; L549-V566 HydrophobicContact CD1-CG2 4.29Å; L549-V566 HydrophobicContact CD2-CG2 4.31Å; V566-L577 CarbonylContact O-C 3.5Å; V566-L577 WeakPolarHBondContact O-CA 3.46Å; V566-F578 HydrophobicContact CB-CB 4.32Å; V566-F578 PolarHBondContact N-O 3.49Å; V566-F578 PolarHBondContact O-N 2.91Å; V566-P580 HydrophobicContact CG2-CG 4.19Å; V566-L595 HydrophobicContact CG2-CD2 4.42Å; V566-V599 HydrophobicContact CG1-CG2 3.87Å; V566-L614 HydrophobicContact CG1-CD2 4.18Å; V566-S615 CarbonylContact C-O 3.52Å
567	R	90.6	Very high	83.8	Confident	51 Å²	51	59.1 Å²	59.1	19%	0.192	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	124.2	176.1	-179.2	177.8	59.2	179	0.1	109.5	I569 V575 L577 L614 S615 V617 S634	R567-I569 HydrophobicContact CG-CG1 4.19Å; R567-V575 HydrophobicContact CG-CG1 3.51Å; R567-L577 HydrophobicContact CB-CD2 3.66Å; R567-L577 HydrophobicContact CG-CD2 3.87Å; R567-L614 WeakPolarHBondContact O-CA 3.42Å; R567-S615 PolarHBondContact N-O 3.29Å; R567-S615 PolarHBondContact NE-OG 3.14Å; R567-S615 PolarHBondContact NH2-OG 3.26Å; R567-S615 VanDerWaalsContact NH2-OG 3.08Å; R567-S615 PolarHBondContact O-N 3.01Å; R567-V617 HydrophobicContact CB-CG1 3.65Å; R567-V617 HydrophobicContact CB-CG2 4.08Å; R567-S634 PolarHBondContact NH2-OG 3.15Å
568	L	91	Very high	84.8	Confident	4 Å²	4	56.3 Å²	56.3	2%	0.021	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	119.7	176.4	-173	76.1	0	0	0	108.4	Y570 V575 K576 V599 L601 V612 E613 L614	L568-Y570 HydrophobicContact CD2-CD2 4.38Å; L568-Y570 HydrophobicContact CD2-CE1 4.39Å; L568-Y570 HydrophobicContact CD2-CE2 3.5Å; L568-Y570 WeakPolarHBondContact CD2-OH 3.34Å; L568-Y570 HydrophobicContact CG-CE2 4.07Å; L568-V575 CarbonylContact O-C 3.57Å; L568-V575 WeakPolarHBondContact O-CA 3.28Å; L568-K576 HydrophobicContact CB-CB 4.43Å; L568-K576 PolarHBondContact N-O 2.9Å; L568-K576 PolarHBondContact O-N 3.3Å; L568-V599 HydrophobicContact CD1-CG1 4.29Å; L568-L601 HydrophobicContact CD1-CD1 4.34Å; L568-L601 HydrophobicContact CD2-CB 4.4Å; L568-L601 HydrophobicContact CD2-CD1 4.04Å; L568-L601 HydrophobicContact CD2-CG 4.23Å; L568-V612 HydrophobicContact CD1-CG1 3.34Å; L568-V612 HydrophobicContact CD2-CG1 4.49Å; L568-V612 HydrophobicContact CG-CG1 3.74Å; L568-E613 CarbonylContact C-O 3.52Å; L568-E613 WeakPolarHBondContact CA-O 3.42Å; L568-L614 HydrophobicContact CD1-CD2 3.32Å; L568-L614 HydrophobicContact CD1-CG 3.92Å
569	I	91.2	Very high	85.8	Confident	36 Å²	36	57.5 Å²	57.5	19%	0.185	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	115	176.5	-50.5	-179.7	0	0	0	107.9	R567 T574 V575 V612 E613	R567-I569 HydrophobicContact CG-CG1 4.19Å; I569-T574 WeakPolarHBondContact CA-O 3.41Å; I569-V575 HydrophobicContact CG1-CG2 4.21Å; I569-V575 HydrophobicContact CG2-CG2 4.5Å; I569-V612 VanDerWaalsContact O-CG1 3.32Å; I569-V612 WeakPolarHBondContact O-CG1 3.4Å; I569-E613 HydrophobicContact CB-CB 4.16Å; I569-E613 PolarHBondContact N-O 3.49Å; I569-E613 PolarHBondContact O-N 3.46Å
570	Y	90.5	Very high	86.7	Confident	11 Å²	11	51.7 Å²	51.7	4%	0.043	27%	0.266	C	S	.	.			trans	-76.9	163.5	176.5	-71.7	-96.4	0	0	0	111	L568 D572 T573 T574 K576 L601 T602 A603 W606	L568-Y570 HydrophobicContact CD2-CD2 4.38Å; L568-Y570 HydrophobicContact CD2-CE1 4.39Å; L568-Y570 HydrophobicContact CD2-CE2 3.5Å; L568-Y570 WeakPolarHBondContact CD2-OH 3.34Å; L568-Y570 HydrophobicContact CG-CE2 4.07Å; Y570-D572 WeakPolarHBondContact CB-OD1 3.47Å; Y570-D572 PolarHBondContact O-N 3.15Å; Y570-D572 VanDerWaalsContact O-N 3.16Å; Y570-T573 WeakPolarHBondContact O-CA 3.47Å; Y570-T573 PolarHBondContact O-N 2.8Å; Y570-T574 WeakPolarHBondContact CB-OG1 3.49Å; Y570-T574 WeakPolarHBondContact CD2-O 3.44Å; Y570-T574 WeakPolarHBondContact CD2-OG1 3.49Å; Y570-T574 PolarHBondContact N-O 3.34Å; Y570-K576 HydrophobicContact CE2-CB 4.23Å; Y570-K576 HydrophobicContact CE2-CD 3.56Å; Y570-K576 HydrophobicContact CE2-CG 3.75Å; Y570-K576 PolarHBondContact OH-NZ 2.89Å; Y570-L601 HydrophobicContact CE1-CD1 4.03Å; Y570-L601 HydrophobicContact CE1-CD2 4.16Å; Y570-L601 HydrophobicContact CE1-CG 3.79Å; Y570-T602 WeakPolarHBondContact CE1-O 3.45Å; Y570-T602 PolarHBondContact OH-N 3.25Å; Y570-T602 PolarHBondContact OH-O 3.33Å; Y570-A603 HydrophobicContact CE1-CB 4.23Å; Y570-W606 HydrophobicContact CD1-CZ2 4.24Å
571	P	87.7	Confident	87.4	Confident	63 Å²	63	58.9 Å²	58.9	41%	0.409	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-27.3	177.1	-23.8	32.6	0	0	0	114	T573 W606 A610	P571-T573 PolarHBondContact O-N 3.16Å; P571-W606 HydrophobicContact CG-CH2 3.6Å; P571-W606 HydrophobicContact CG-CZ2 4.05Å; P571-W606 HydrophobicContact CG-CZ3 3.95Å; P571-A610 HydrophobicContact CB-CB 4.12Å; P571-A610 HydrophobicContact CG-CB 3.49Å; P571-A610 VanDerWaalsContact CG-CB 3.49Å
572	D	88.2	Confident	87.7	Confident	102 Å²	102	66.7 Å²	66.7	55%	0.545	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	10.3	175.5	68.2	-4.6	0	0	0	113.4	Y570 T574	Y570-D572 WeakPolarHBondContact CB-OD1 3.47Å; Y570-D572 PolarHBondContact O-N 3.15Å; Y570-D572 VanDerWaalsContact O-N 3.16Å; D572-T574 VanDerWaalsContact CG-CG2 3.47Å; D572-T574 PolarHBondContact O-N 3.25Å; D572-T574 VanDerWaalsContact OD1-CB 3.26Å; D572-T574 WeakPolarHBondContact OD1-CB 3.32Å; D572-T574 VanDerWaalsContact OD1-CG2 3.29Å; D572-T574 WeakPolarHBondContact OD1-CG2 3.4Å; D572-T574 PolarHBondContact OD1-N 3.34Å; D572-T574 PolarHBondContact OD1-OG1 3.07Å; D572-T574 VanDerWaalsContact OD2-CG2 3.32Å; D572-T574 WeakPolarHBondContact OD2-CG2 3.46Å; D572-T574 PolarHBondContact OD2-OG1 3.15Å
573	T	86.9	Confident	87.9	Confident	114 Å²	114	71.3 Å²	71.3	70%	0.699	34%	0.34	S	S	*	.			trans	66.8	5.9	-175.7	72.5	0	0	0	0	115.2	Y570 P571 V575	Y570-T573 WeakPolarHBondContact O-CA 3.47Å; Y570-T573 PolarHBondContact O-N 2.8Å; P571-T573 PolarHBondContact O-N 3.16Å; T573-V575 PolarHBondContact O-N 3.1Å
574	T	88.7	Confident	88.3	Confident	63 Å²	63	68.7 Å²	68.7	39%	0.387	33%	0.331	S	S	.	.			trans	-67.1	135.1	173.9	63	0	0	0	0	110.3	I569 Y570 D572	I569-T574 WeakPolarHBondContact CA-O 3.41Å; Y570-T574 WeakPolarHBondContact CB-OG1 3.49Å; Y570-T574 WeakPolarHBondContact CD2-O 3.44Å; Y570-T574 WeakPolarHBondContact CD2-OG1 3.49Å; Y570-T574 PolarHBondContact N-O 3.34Å; D572-T574 VanDerWaalsContact CG-CG2 3.47Å; D572-T574 PolarHBondContact O-N 3.25Å; D572-T574 VanDerWaalsContact OD1-CB 3.26Å; D572-T574 WeakPolarHBondContact OD1-CB 3.32Å; D572-T574 VanDerWaalsContact OD1-CG2 3.29Å; D572-T574 WeakPolarHBondContact OD1-CG2 3.4Å; D572-T574 PolarHBondContact OD1-N 3.34Å; D572-T574 PolarHBondContact OD1-OG1 3.07Å; D572-T574 VanDerWaalsContact OD2-CG2 3.32Å; D572-T574 WeakPolarHBondContact OD2-CG2 3.46Å; D572-T574 PolarHBondContact OD2-OG1 3.15Å
575	V	88.5	Confident	88.2	Confident	80 Å²	80	69.6 Å²	69.6	49%	0.485	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	121.8	-177.6	-174.7	0	0	0	0	109.4	R567 L568 I569 T573	R567-V575 HydrophobicContact CG-CG1 3.51Å; L568-V575 CarbonylContact O-C 3.57Å; L568-V575 WeakPolarHBondContact O-CA 3.28Å; I569-V575 HydrophobicContact CG1-CG2 4.21Å; I569-V575 HydrophobicContact CG2-CG2 4.5Å; T573-V575 PolarHBondContact O-N 3.1Å
576	K	88.9	Confident	87.6	Confident	90 Å²	90	69.9 Å²	69.9	39%	0.391	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	135	169.8	-67.1	-173.5	-166.5	163.4	0	109.7	L568 Y570 T602	L568-K576 HydrophobicContact CB-CB 4.43Å; L568-K576 PolarHBondContact N-O 2.9Å; L568-K576 PolarHBondContact O-N 3.3Å; Y570-K576 HydrophobicContact CE2-CB 4.23Å; Y570-K576 HydrophobicContact CE2-CD 3.56Å; Y570-K576 HydrophobicContact CE2-CG 3.75Å; Y570-K576 PolarHBondContact OH-NZ 2.89Å; K576-T602 PolarHBondContact NZ-O 3.38Å; K576-T602 PolarHBondContact NZ-OG1 3.25Å; K576-T602 VanDerWaalsContact NZ-OG1 3.16Å
577	L	88.5	Confident	86.5	Confident	89 Å²	89	74.7 Å²	74.7	47%	0.466	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	121.5	174.5	-65.1	177.8	0	0	0	109.4	V566 R567 V617 L619	V566-L577 CarbonylContact O-C 3.5Å; V566-L577 WeakPolarHBondContact O-CA 3.46Å; R567-L577 HydrophobicContact CB-CD2 3.66Å; R567-L577 HydrophobicContact CG-CD2 3.87Å; L577-V617 HydrophobicContact CD2-CG2 3.99Å; L577-L619 HydrophobicContact CD1-CD2 4.45Å
578	F	89.2	Confident	85.1	Confident	52 Å²	52	72.9 Å²	72.9	23%	0.228	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	138	176.9	-177.3	-99.9	0	0	0	110.6	R565 V566 T597	R565-F578 CarbonylContact C-O 3.51Å; R565-F578 VanDerWaalsContact CA-O 3.24Å; R565-F578 WeakPolarHBondContact CA-O 3.45Å; R565-F578 WeakPolarHBondContact CD-O 3.38Å; V566-F578 HydrophobicContact CB-CB 4.32Å; V566-F578 PolarHBondContact N-O 3.49Å; V566-F578 PolarHBondContact O-N 2.91Å; F578-T597 HydrophobicContact CE1-CG2 4.37Å
579	K	89.7	Confident	83.5	Confident	125 Å²	125	74.5 Å²	74.5	54%	0.543	37%	0.37	S	S	.	.			trans	-100.5	114.4	173	-179.2	179.2	-179.7	-174.9	0	108.8
580	P	89.2	Confident	81.7	Confident	6 Å²	6	79.3 Å²	79.3	4%	0.039	40%	0.403	C	S	.	.			trans	-62.3	153.5	173.6	-20	32.1	0	0	0	112.3	L564 V566 F585 L595 T597	L564-P580 HydrophobicContact CD2-CG 3.92Å; V566-P580 HydrophobicContact CG2-CG 4.19Å; P580-F585 HydrophobicContact CB-CE2 3.81Å; P580-F585 HydrophobicContact CB-CZ 3.65Å; P580-F585 HydrophobicContact CG-CZ 3.99Å; P580-L595 HydrophobicContact CB-CD1 3.57Å; P580-L595 HydrophobicContact CG-CD1 3.88Å; P580-L595 HydrophobicContact CG-CD2 4.07Å; P580-T597 HydrophobicContact CB-CG2 4.33Å; P580-T597 HydrophobicContact CG-CG2 4.39Å
581	R	87.2	Confident	80.1	Confident	158 Å²	158	83 Å²	83	60%	0.596	43%	0.428	S	S	*	.			trans	-77.5	152.7	177.6	-59.3	174.7	172.5	177.3	-6.3	109.5	K583 D584 F585	R581-K583 HydrophobicContact CB-CG 3.97Å; R581-K583 PolarHBondContact O-N 3.21Å; R581-D584 WeakPolarHBondContact CB-OD2 3.41Å; R581-D584 PolarHBondContact N-OD2 3.34Å; R581-D584 VanDerWaalsContact O-CB 3.3Å; R581-D584 WeakPolarHBondContact O-CB 3.35Å; R581-D584 PolarHBondContact O-N 3.25Å; R581-F585 WeakPolarHBondContact O-CD2 3.08Å; R581-F585 VanDerWaalsContact O-CE2 3.32Å; R581-F585 WeakPolarHBondContact O-CE2 3.11Å
582	K	83.3	Confident	79.2	Confident	174 Å²	174	80.5 Å²	80.5	76%	0.757	41%	0.41	S	S	*	.	G	3₁₀ helix	trans	-57.9	-34.2	177.8	-72.7	-169.2	175	-170.5	0	113	D584 F585	K582-D584 VanDerWaalsContact C-N 3.25Å; K582-D584 PolarHBondContact O-N 3.06Å; K582-F585 PolarHBondContact O-N 3.35Å
583	K	84.3	Confident	78.7	Confident	154 Å²	154	76.1 Å²	76.1	67%	0.67	39%	0.387	S	S	*	.	G	3₁₀ helix	trans	-70.7	-16.9	177.5	68.9	174.7	-168.2	164.9	0	114.7	R581 F585	R581-K583 HydrophobicContact CB-CG 3.97Å; R581-K583 PolarHBondContact O-N 3.21Å; K583-F585 PolarHBondContact O-N 2.87Å
584	D	85.8	Confident	78.4	Confident	24 Å²	24	70.7 Å²	70.7	13%	0.128	35%	0.353	C	S	.	.	G	3₁₀ helix	trans	-80.3	-9.5	-179.4	-61.4	-7.2	0	0	0	111	R581 K582 L595 R596 T597	R581-D584 WeakPolarHBondContact CB-OD2 3.41Å; R581-D584 PolarHBondContact N-OD2 3.34Å; R581-D584 VanDerWaalsContact O-CB 3.3Å; R581-D584 WeakPolarHBondContact O-CB 3.35Å; R581-D584 PolarHBondContact O-N 3.25Å; K582-D584 VanDerWaalsContact C-N 3.25Å; K582-D584 PolarHBondContact O-N 3.06Å; D584-L595 HydrophobicContact CB-CD1 4.12Å; D584-R596 WeakPolarHBondContact CB-O 3.4Å; D584-R596 PolarHBondContact O-N 3.31Å; D584-T597 VanDerWaalsContact OD2-CB 3.32Å; D584-T597 WeakPolarHBondContact OD2-CB 3.46Å; D584-T597 PolarHBondContact OD2-OG1 3.09Å
585	F	84.1	Confident	78.3	Confident	21 Å²	21	67.7 Å²	67.7	9%	0.092	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	125.9	174	-58.7	-82.7	0	0	0	109.2	L553 V561 L564 P580 R581 K582 K583 I593 R594 L595	L553-F585 HydrophobicContact CD1-CD1 4.04Å; L553-F585 HydrophobicContact CD1-CE1 3.89Å; V561-F585 HydrophobicContact CG1-CB 4.39Å; V561-F585 HydrophobicContact CG1-CD1 3.44Å; V561-F585 VanDerWaalsContact CG1-CD1 3.44Å; V561-F585 HydrophobicContact CG1-CD2 3.49Å; V561-F585 VanDerWaalsContact CG1-CD2 3.49Å; V561-F585 HydrophobicContact CG1-CE1 3.37Å; V561-F585 HydrophobicContact CG1-CE2 3.42Å; V561-F585 VanDerWaalsContact CG1-CE2 3.42Å; V561-F585 HydrophobicContact CG1-CG 3.49Å; V561-F585 VanDerWaalsContact CG1-CG 3.49Å; V561-F585 HydrophobicContact CG1-CZ 3.35Å; L564-F585 HydrophobicContact CD2-CE1 4.38Å; L564-F585 HydrophobicContact CD2-CZ 4.35Å; P580-F585 HydrophobicContact CB-CE2 3.81Å; P580-F585 HydrophobicContact CB-CZ 3.65Å; P580-F585 HydrophobicContact CG-CZ 3.99Å; R581-F585 WeakPolarHBondContact O-CD2 3.08Å; R581-F585 VanDerWaalsContact O-CE2 3.32Å; R581-F585 WeakPolarHBondContact O-CE2 3.11Å; K582-F585 PolarHBondContact O-N 3.35Å; K583-F585 PolarHBondContact O-N 2.87Å; F585-I593 HydrophobicContact CB-CG2 4.04Å; F585-I593 HydrophobicContact CD1-CG2 4.13Å; F585-R594 CarbonylContact C-O 3.6Å; F585-R594 VanDerWaalsContact CA-O 3.3Å; F585-R594 WeakPolarHBondContact CA-O 3.41Å; F585-L595 HydrophobicContact CD1-CB 4.14Å; F585-L595 HydrophobicContact CD1-CD1 4.02Å; F585-L595 HydrophobicContact CE1-CB 4.07Å; F585-L595 HydrophobicContact CE1-CD1 3.63Å; F585-L595 HydrophobicContact CE1-CD2 4.33Å; F585-L595 HydrophobicContact CE1-CG 4.21Å; F585-L595 HydrophobicContact CE2-CD1 4.48Å; F585-L595 HydrophobicContact CZ-CD1 3.9Å
586	T	74.8	Confident	78.2	Confident	51 Å²	51	67.3 Å²	67.3	31%	0.313	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	125.2	173	51.3	0	0	0	0	109	F588 R594	T586-F588 PolarHBondContact O-N 3.22Å; T586-R594 PolarHBondContact N-O 3.44Å; T586-R594 PolarHBondContact O-N 3.17Å
587	D	68.3	Low	78.3	Confident	101 Å²	101	63.4 Å²	63.4	54%	0.54	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	100	168.1	-64.6	-27.3	0	0	0	106.3
588	F	60.6	Low	78.4	Confident	13 Å²	13	63.5 Å²	63.5	6%	0.057	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	-37.7	-176.7	-153.3	-111.1	0	0	0	110.2	L256 E292 A293 E296 T586 F592 R594	L256-F588 HydrophobicContact CD1-CE2 4.32Å; E292-F588 HydrophobicContact CG-CE1 4.2Å; A293-F588 HydrophobicContact CB-CE1 4.32Å; A293-F588 HydrophobicContact CB-CE2 4.38Å; A293-F588 HydrophobicContact CB-CZ 3.59Å; E296-F588 HydrophobicContact CG-CE1 4.29Å; E296-F588 WeakPolarHBondContact OE1-CD1 3.43Å; E296-F588 WeakPolarHBondContact OE1-CE1 3.43Å; E296-F588 WeakPolarHBondContact OE2-CD1 3.21Å; E296-F588 WeakPolarHBondContact OE2-CE1 3.46Å; T586-F588 PolarHBondContact O-N 3.22Å; F588-F592 HydrophobicContact CB-CE2 4.5Å; F588-F592 HydrophobicContact CD1-CZ 4.49Å; F588-R594 HydrophobicContact CB-CB 4.48Å; F588-R594 VanDerWaalsContact CD1-NH2 3.33Å
589	L	57.1	Low	78.5	Confident	37 Å²	37	61.1 Å²	61.1	19%	0.194	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.2	163.2	174.8	-78.6	-174.4	0	0	0	111.1	A263 E296 T591 F592	A263-L589 HydrophobicContact CB-CD2 4.18Å; E296-L589 HydrophobicContact CB-CD1 4.04Å; E296-L589 HydrophobicContact CG-CD1 4.33Å; E296-L589 WeakPolarHBondContact OE2-CD1 3.36Å; E296-L589 WeakPolarHBondContact OE2-CG 3.48Å; L589-T591 PolarHBondContact O-N 3.17Å; L589-F592 PolarHBondContact O-N 3.49Å; L589-F592 VanDerWaalsContact O-O 3.07Å
590	P	54.3	Low	78.6	Confident	137 Å²	137	59.1 Å²	59.1	89%	0.89	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	4.2	-179.3	24.6	-35.1	0	0	0	115.7
591	T	57.1	Low	78.6	Confident	90 Å²	90	58.9 Å²	58.9	55%	0.552	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.8	-21.1	-176.9	60	0	0	0	0	114.1	L589	L589-T591 PolarHBondContact O-N 3.17Å
592	F	68.3	Low	78.7	Confident	9 Å²	9	54.1 Å²	54.1	4%	0.039	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.7	155.3	175.4	65	-87.8	0	0	0	111.9	E296 N552 L553 Y554 F588 L589	E296-F592 WeakPolarHBondContact OE1-CZ 3.47Å; N552-F592 HydrophobicContact CB-CD2 3.95Å; N552-F592 HydrophobicContact CB-CE2 4.17Å; L553-F592 CarbonylContact O-C 3.3Å; L553-F592 WeakPolarHBondContact O-CA 3.42Å; L553-F592 WeakPolarHBondContact O-CB 3.47Å; Y554-F592 HydrophobicContact CD1-CB 3.67Å; Y554-F592 HydrophobicContact CD1-CD1 4.31Å; Y554-F592 HydrophobicContact CD1-CG 4.23Å; Y554-F592 HydrophobicContact CE1-CB 3.91Å; Y554-F592 AromaticContact CE1-CD1 3.82Å; Y554-F592 HydrophobicContact CE1-CD1 3.82Å; Y554-F592 AromaticContact CE1-CG 3.95Å; Y554-F592 HydrophobicContact CE1-CG 3.95Å; Y554-F592 HydrophobicContact CG-CB 4.22Å; F588-F592 HydrophobicContact CB-CE2 4.5Å; F588-F592 HydrophobicContact CD1-CZ 4.49Å; L589-F592 PolarHBondContact O-N 3.49Å; L589-F592 VanDerWaalsContact O-O 3.07Å
593	I	77.2	Confident	78.9	Confident	10 Å²	10	46.1 Å²	46.1	5%	0.051	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	136.4	174	-59.5	175.4	0	0	0	107.7	L553 F556 M558 V561 F585	L553-I593 WeakPolarHBondContact CA-O 3.31Å; L553-I593 HydrophobicContact CB-CB 4.27Å; L553-I593 WeakPolarHBondContact CB-O 3.46Å; L553-I593 HydrophobicContact CD1-CB 4.44Å; L553-I593 HydrophobicContact CD1-CG2 4.41Å; L553-I593 WeakPolarHBondContact CG-O 3.41Å; L553-I593 PolarHBondContact N-O 3.32Å; L553-I593 PolarHBondContact O-N 3.25Å; F556-I593 HydrophobicContact CB-CD1 4.03Å; F556-I593 WeakPolarHBondContact O-CD1 3.46Å; M558-I593 HydrophobicContact SD-CD1 3.95Å; V561-I593 HydrophobicContact CG2-CD1 3.54Å; F585-I593 HydrophobicContact CB-CG2 4.04Å; F585-I593 HydrophobicContact CD1-CG2 4.13Å
594	R	81.4	Confident	79.1	Confident	1 Å²	1	43 Å²	43	0%	0.004	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	131.7	174	-173.7	167.9	-65.8	134.1	13.7	109.9	E292 E296 N552 F585 T586 F588 R596	E292-R594 VanDerWaalsContact CD-NH1 3.28Å; E292-R594 IonicContact OE1-CZ 3.94Å; E292-R594 IonicContact OE1-NE 2.6Å; E292-R594 IonicContact OE1-NH1 2.77Å; E292-R594 IonicContact OE1-NH2 3.44Å; E292-R594 PolarHBondContact OE1-NH2 3.08Å; E292-R594 IonicContact OE2-CZ 2.71Å; E292-R594 IonicContact OE2-NE 3.56Å; E292-R594 PolarHBondContact OE2-NE 3.37Å; E292-R594 IonicContact OE2-NH1 3.52Å; E292-R594 PolarHBondContact OE2-NH1 2.95Å; E292-R594 IonicContact OE2-NH2 3.43Å; E292-R594 PolarHBondContact OE2-NH2 3.45Å; E296-R594 IonicContact OE1-NH2 3.01Å; E296-R594 PolarHBondContact OE1-NH2 2.89Å; E296-R594 VanDerWaalsContact OE1-NH2 3.1Å; N552-R594 PolarHBondContact OD1-NE 2.88Å; F585-R594 CarbonylContact C-O 3.6Å; F585-R594 VanDerWaalsContact CA-O 3.3Å; F585-R594 WeakPolarHBondContact CA-O 3.41Å; T586-R594 PolarHBondContact N-O 3.44Å; T586-R594 PolarHBondContact O-N 3.17Å; F588-R594 HydrophobicContact CB-CB 4.48Å; F588-R594 VanDerWaalsContact CD1-NH2 3.33Å; R594-R596 HydrophobicContact CG-CG 4.19Å
595	L	87.2	Confident	79.2	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	120	170.7	167.7	61.9	0	0	0	108.4	L549 A550 A551 L553 L564 V566 P580 D584 F585 T597	L549-L595 HydrophobicContact CD2-CD2 3.99Å; L549-L595 HydrophobicContact CD2-CG 4.33Å; A550-L595 CarbonylContact C-O 3.52Å; A550-L595 VanDerWaalsContact CA-O 3.28Å; A550-L595 WeakPolarHBondContact CA-O 3.48Å; A551-L595 HydrophobicContact CB-CB 4.49Å; A551-L595 PolarHBondContact N-O 3.11Å; A551-L595 PolarHBondContact O-N 3.19Å; L553-L595 HydrophobicContact CD1-CB 4.09Å; L553-L595 HydrophobicContact CG-CB 4.36Å; L564-L595 HydrophobicContact CD2-CD2 3.79Å; V566-L595 HydrophobicContact CG2-CD2 4.42Å; P580-L595 HydrophobicContact CB-CD1 3.57Å; P580-L595 HydrophobicContact CG-CD1 3.88Å; P580-L595 HydrophobicContact CG-CD2 4.07Å; D584-L595 HydrophobicContact CB-CD1 4.12Å; F585-L595 HydrophobicContact CD1-CB 4.14Å; F585-L595 HydrophobicContact CD1-CD1 4.02Å; F585-L595 HydrophobicContact CE1-CB 4.07Å; F585-L595 HydrophobicContact CE1-CD1 3.63Å; F585-L595 HydrophobicContact CE1-CD2 4.33Å; F585-L595 HydrophobicContact CE1-CG 4.21Å; F585-L595 HydrophobicContact CE2-CD1 4.48Å; F585-L595 HydrophobicContact CZ-CD1 3.9Å; L595-T597 HydrophobicContact CD1-CG2 3.96Å; L595-T597 HydrophobicContact CG-CG2 4.3Å
596	R	86.7	Confident	79.5	Confident	71 Å²	71	45.1 Å²	45.1	27%	0.268	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	107.3	166.9	-70.2	-159.6	-178.6	114.6	-11.8	110.3	D289 E292 L549 A550 D584 R594	D289-R596 IonicContact OD1-CZ 3.79Å; D289-R596 IonicContact OD1-NE 2.76Å; D289-R596 IonicContact OD1-NH1 3.44Å; D289-R596 PolarHBondContact OD1-NH1 2.98Å; D289-R596 IonicContact OD1-NH2 3.75Å; D289-R596 PolarHBondContact OD1-NH2 3.28Å; D289-R596 IonicContact OD2-NH1 3.63Å; D289-R596 PolarHBondContact OD2-NH1 3.45Å; E292-R596 IonicContact OE2-NH2 2.64Å; E292-R596 PolarHBondContact OE2-NH2 2.93Å; L549-R596 WeakPolarHBondContact O-CA 3.5Å; A550-R596 HydrophobicContact CB-CG 4.06Å; D584-R596 WeakPolarHBondContact CB-O 3.4Å; D584-R596 PolarHBondContact O-N 3.31Å; R594-R596 HydrophobicContact CG-CG 4.19Å
597	T	90.5	Very high	80.1	Confident	8 Å²	8	49.6 Å²	49.6	5%	0.049	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	159.3	-176.5	-164.4	0	0	0	0	110.7	L549 F578 P580 D584 L595	L549-T597 WeakPolarHBondContact CA-O 3.38Å; L549-T597 HydrophobicContact CB-CG2 4.38Å; L549-T597 HydrophobicContact CD2-CG2 4.3Å; L549-T597 PolarHBondContact N-O 3.21Å; L549-T597 PolarHBondContact O-N 3.5Å; L549-T597 VanDerWaalsContact O-O 3.11Å; F578-T597 HydrophobicContact CE1-CG2 4.37Å; P580-T597 HydrophobicContact CB-CG2 4.33Å; P580-T597 HydrophobicContact CG-CG2 4.39Å; D584-T597 VanDerWaalsContact OD2-CB 3.32Å; D584-T597 WeakPolarHBondContact OD2-CB 3.46Å; D584-T597 PolarHBondContact OD2-OG1 3.09Å; L595-T597 HydrophobicContact CD1-CG2 3.96Å; L595-T597 HydrophobicContact CG-CG2 4.3Å
598	N	90.9	Very high	80.9	Confident	91 Å²	91	50 Å²	50	49%	0.487	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	114.9	173.2	-72.3	-26.9	0	0	0	109	A546 P548 L600	A546-N598 HydrophobicContact CB-CB 4.19Å; P548-N598 WeakPolarHBondContact CA-OD1 3.44Å; N598-L600 PolarHBondContact O-N 3.22Å
599	V	91	Very high	82.3	Confident	2 Å²	2	51 Å²	51	1%	0.012	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	114.6	175.3	-175.9	0	0	0	0	108.2	I547 L549 V566 L568 L614	I547-V599 PolarHBondContact N-O 3.14Å; I547-V599 PolarHBondContact O-N 2.87Å; L549-V599 HydrophobicContact CB-CG2 3.68Å; L549-V599 HydrophobicContact CD1-CG2 3.85Å; L549-V599 HydrophobicContact CG-CG2 4.37Å; V566-V599 HydrophobicContact CG1-CG2 3.87Å; L568-V599 HydrophobicContact CD1-CG1 4.29Å; V599-L614 HydrophobicContact CB-CD2 4.26Å; V599-L614 HydrophobicContact CG1-CD2 3.9Å; V599-L614 HydrophobicContact CG2-CD2 4.15Å
600	L	91	Very high	83.8	Confident	84 Å²	84	50.2 Å²	50.2	44%	0.44	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	116.5	-178.8	-55.7	-177.9	0	0	0	110	I544 L545 A546 N598	I544-L600 HydrophobicContact CG2-CB 3.88Å; I544-L600 HydrophobicContact CG2-CD2 3.93Å; I544-L600 HydrophobicContact CG2-CG 4.33Å; L545-L600 WeakPolarHBondContact O-CA 3.25Å; A546-L600 HydrophobicContact CB-CD2 3.96Å; N598-L600 PolarHBondContact O-N 3.22Å
601	L	89.7	Confident	85.5	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	137.6	178.8	-175	147.6	0	0	0	110.4	F539 I544 L545 I547 L568 Y570 A603 V612 V643	F539-L601 HydrophobicContact CE1-CD2 3.94Å; F539-L601 HydrophobicContact CE2-CD2 4.45Å; F539-L601 HydrophobicContact CZ-CD2 3.55Å; I544-L601 WeakPolarHBondContact CA-O 3.42Å; L545-L601 HydrophobicContact CB-CB 4.45Å; L545-L601 PolarHBondContact N-O 3.36Å; L545-L601 PolarHBondContact O-N 3.42Å; I547-L601 HydrophobicContact CD1-CD1 4.21Å; L568-L601 HydrophobicContact CD1-CD1 4.34Å; L568-L601 HydrophobicContact CD2-CB 4.4Å; L568-L601 HydrophobicContact CD2-CD1 4.04Å; L568-L601 HydrophobicContact CD2-CG 4.23Å; Y570-L601 HydrophobicContact CE1-CD1 4.03Å; Y570-L601 HydrophobicContact CE1-CD2 4.16Å; Y570-L601 HydrophobicContact CE1-CG 3.79Å; L601-A603 HydrophobicContact CD2-CB 4.11Å; L601-V612 HydrophobicContact CD1-CB 4.29Å; L601-V612 HydrophobicContact CD1-CG1 3.89Å; L601-V612 HydrophobicContact CD1-CG2 3.9Å; L601-V643 HydrophobicContact CD1-CG2 4.33Å; L601-V643 HydrophobicContact CD2-CG1 4.13Å
602	T	89.9	Confident	87.1	Confident	59 Å²	59	42 Å²	42	36%	0.362	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	122.2	173.6	44.3	0	0	0	0	109	I544 Y570 K576	I544-T602 HydrophobicContact CB-CG2 4.29Å; I544-T602 HydrophobicContact CG1-CG2 3.58Å; Y570-T602 WeakPolarHBondContact CE1-O 3.45Å; Y570-T602 PolarHBondContact OH-N 3.25Å; Y570-T602 PolarHBondContact OH-O 3.33Å; K576-T602 PolarHBondContact NZ-O 3.38Å; K576-T602 PolarHBondContact NZ-OG1 3.25Å; K576-T602 VanDerWaalsContact NZ-OG1 3.16Å
603	A	87	Confident	88.2	Confident	6 Å²	6	44.1 Å²	44.1	5%	0.05	25%	0.251	C	S	.	.			trans	-140.6	148.5	177.5	0	0	0	0	0	110.4	F539 S542 Y570 L601 W606 P645	F539-A603 HydrophobicContact CZ-CB 4.21Å; S542-A603 PolarHBondContact N-O 2.88Å; Y570-A603 HydrophobicContact CE1-CB 4.23Å; L601-A603 HydrophobicContact CD2-CB 4.11Å; A603-W606 HydrophobicContact CB-CH2 4.44Å; A603-W606 HydrophobicContact CB-CZ2 3.64Å; A603-P645 HydrophobicContact CB-CG 4.19Å
604	P	88.1	Confident	88.9	Confident	87 Å²	87	43.6 Å²	43.6	57%	0.565	25%	0.248	S	C	*	.			trans	-62.3	166	166.3	30.2	-35.2	0	0	0	110.1	W606 P645	P604-W606 PolarHBondContact O-N 3.45Å; P604-W606 PolarHBondContact O-NE1 3.34Å; P604-P645 WeakPolarHBondContact O-CB 3.45Å; P604-P645 WeakPolarHBondContact O-CG 3.36Å
605	A	88.8	Confident	89.3	Confident	36 Å²	36	43.6 Å²	43.6	30%	0.298	25%	0.248	S	C	.	.			trans	-58.1	136.5	174.6	0	0	0	0	0	111.2	P645 L647	A605-P645 WeakPolarHBondContact CA-O 3.35Å; A605-L647 HydrophobicContact CB-CB 3.96Å; A605-L647 HydrophobicContact CB-CD1 3.6Å; A605-L647 HydrophobicContact CB-CG 3.79Å
606	W	89.3	Confident	89.3	Confident	55 Å²	55	43.6 Å²	43.6	21%	0.208	25%	0.248	C	C	.	.			trans	-110.5	156.1	177.2	-63.3	-14.3	0	0	0	109.9	Y570 P571 A603 P604 D608 A610 V612 V643 Y644 P645	Y570-W606 HydrophobicContact CD1-CZ2 4.24Å; P571-W606 HydrophobicContact CG-CH2 3.6Å; P571-W606 HydrophobicContact CG-CZ2 4.05Å; P571-W606 HydrophobicContact CG-CZ3 3.95Å; A603-W606 HydrophobicContact CB-CH2 4.44Å; A603-W606 HydrophobicContact CB-CZ2 3.64Å; P604-W606 PolarHBondContact O-N 3.45Å; P604-W606 PolarHBondContact O-NE1 3.34Å; W606-D608 WeakPolarHBondContact CB-O 3.37Å; W606-A610 HydrophobicContact CE3-CB 3.82Å; W606-A610 HydrophobicContact CZ3-CB 3.71Å; W606-V612 HydrophobicContact CH2-CG2 3.93Å; W606-V612 HydrophobicContact CZ3-CG2 4.37Å; W606-V643 HydrophobicContact CZ3-CB 4.28Å; W606-V643 WeakPolarHBondContact CZ3-O 3.21Å; W606-Y644 WeakPolarHBondContact O-CE2 3.45Å; W606-P645 HydrophobicContact CB-CG 3.81Å; W606-P645 HydrophobicContact CD2-CG 3.36Å; W606-P645 HydrophobicContact CE3-CG 3.74Å; W606-P645 HydrophobicContact CG-CG 3.39Å; W606-P645 HydrophobicContact CZ3-CG 4.43Å; W606-P645 PolarHBondContact N-O 3.4Å
607	T	86.8	Confident	89.3	Confident	144 Å²	144	40.2 Å²	40.2	88%	0.883	24%	0.236	S	C	*	.	S	Bend	trans	-74.5	-30.5	176	45.6	0	0	0	0	112.7
608	D	86.8	Confident	89	Confident	111 Å²	111	40.3 Å²	40.3	59%	0.594	24%	0.236	S	C	*	.	S	Bend	trans	-142.4	166	-179.7	-157.5	-9.3	0	0	0	110.5	W606	W606-D608 WeakPolarHBondContact CB-O 3.37Å
609	S	88.1	Confident	88.3	Confident	33 Å²	33	36.6 Å²	36.6	23%	0.231	22%	0.216	C	C	.	.			trans	-64.7	136.1	169.6	68.4	0	0	0	0	110.6	V643	S609-V643 WeakPolarHBondContact CA-O 3.4Å
610	A	89.2	Confident	87	Confident	20 Å²	20	37.1 Å²	37.1	17%	0.165	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	148.4	177.6	0	0	0	0	0	110.9	P571 W606 V643	P571-A610 HydrophobicContact CB-CB 4.12Å; P571-A610 HydrophobicContact CG-CB 3.49Å; P571-A610 VanDerWaalsContact CG-CB 3.49Å; W606-A610 HydrophobicContact CE3-CB 3.82Å; W606-A610 HydrophobicContact CZ3-CB 3.71Å; A610-V643 PolarHBondContact N-O 3.43Å; A610-V643 PolarHBondContact O-N 3.49Å
611	P	90.9	Very high	85.4	Confident	54 Å²	54	37.3 Å²	37.3	35%	0.351	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	135	178.1	30.6	-33.4	0	0	0	110.5	R640	P611-R640 HydrophobicContact CB-CB 4.17Å
612	V	91.2	Very high	83.3	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	128	171.6	-172.6	0	0	0	0	107.7	L568 I569 L601 W606 R640 A641 V643	L568-V612 HydrophobicContact CD1-CG1 3.34Å; L568-V612 HydrophobicContact CD2-CG1 4.49Å; L568-V612 HydrophobicContact CG-CG1 3.74Å; I569-V612 VanDerWaalsContact O-CG1 3.32Å; I569-V612 WeakPolarHBondContact O-CG1 3.4Å; L601-V612 HydrophobicContact CD1-CB 4.29Å; L601-V612 HydrophobicContact CD1-CG1 3.89Å; L601-V612 HydrophobicContact CD1-CG2 3.9Å; W606-V612 HydrophobicContact CH2-CG2 3.93Å; W606-V612 HydrophobicContact CZ3-CG2 4.37Å; V612-R640 WeakPolarHBondContact O-CA 3.44Å; V612-A641 PolarHBondContact N-O 2.7Å; V612-A641 PolarHBondContact O-N 3.43Å; V612-V643 HydrophobicContact CB-CG2 4.45Å; V612-V643 HydrophobicContact CG2-CB 4.01Å; V612-V643 HydrophobicContact CG2-CG2 3.85Å
613	E	91.3	Very high	80.9	Confident	54 Å²	54	50 Å²	50	25%	0.252	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	125.4	-177.5	-47.1	-160.8	143.4	0	0	111.2	L568 I569 V639 R640	L568-E613 CarbonylContact C-O 3.52Å; L568-E613 WeakPolarHBondContact CA-O 3.42Å; I569-E613 HydrophobicContact CB-CB 4.16Å; I569-E613 PolarHBondContact N-O 3.49Å; I569-E613 PolarHBondContact O-N 3.46Å; E613-V639 CarbonylContact C-O 3.58Å; E613-V639 WeakPolarHBondContact CA-O 3.04Å; E613-R640 HydrophobicContact CG-CG 4.22Å; E613-R640 IonicContact OE1-CZ 3.36Å; E613-R640 IonicContact OE1-NE 3.76Å; E613-R640 PolarHBondContact OE1-NE 3.08Å; E613-R640 IonicContact OE1-NH2 3.37Å; E613-R640 PolarHBondContact OE1-NH2 3.07Å
614	L	91.2	Very high	78.7	Confident	0 Å²	0	54 Å²	54	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	126.4	177.7	-72.6	158.5	0	0	0	109.4	P529 I547 L549 V566 R567 L568 V599 S638 V639 A641	P529-L614 HydrophobicContact CG-CD1 3.53Å; I547-L614 HydrophobicContact CG2-CD1 4.29Å; L549-L614 HydrophobicContact CD1-CD2 4.33Å; V566-L614 HydrophobicContact CG1-CD2 4.18Å; R567-L614 WeakPolarHBondContact O-CA 3.42Å; L568-L614 HydrophobicContact CD1-CD2 3.32Å; L568-L614 HydrophobicContact CD1-CG 3.92Å; V599-L614 HydrophobicContact CB-CD2 4.26Å; V599-L614 HydrophobicContact CG1-CD2 3.9Å; V599-L614 HydrophobicContact CG2-CD2 4.15Å; L614-S638 CarbonylContact O-C 3.59Å; L614-S638 VanDerWaalsContact O-CA 3.29Å; L614-S638 WeakPolarHBondContact O-CA 3.41Å; L614-V639 PolarHBondContact N-O 3.38Å; L614-V639 PolarHBondContact O-N 3.28Å; L614-A641 HydrophobicContact CD1-CB 4.04Å
615	S	89.5	Confident	76.6	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	145.7	173.5	47.4	0	0	0	0	111	V566 R567	V566-S615 CarbonylContact C-O 3.52Å; R567-S615 PolarHBondContact N-O 3.29Å; R567-S615 PolarHBondContact NE-OG 3.14Å; R567-S615 PolarHBondContact NH2-OG 3.26Å; R567-S615 VanDerWaalsContact NH2-OG 3.08Å; R567-S615 PolarHBondContact O-N 3.01Å
616	V	87.8	Confident	74.2	Confident	0 Å²	0	57 Å²	57	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	128.1	171.2	-168.7	0	0	0	0	108.1	A524 I526 A551 L553 L564 I635 S636	A524-V616 HydrophobicContact CB-CB 3.9Å; A524-V616 HydrophobicContact CB-CG1 4.05Å; A524-V616 HydrophobicContact CB-CG2 4.26Å; I526-V616 HydrophobicContact CD1-CG2 4.04Å; I526-V616 HydrophobicContact CG1-CG2 3.8Å; A551-V616 HydrophobicContact CB-CG2 4.15Å; L553-V616 HydrophobicContact CD2-CG1 4.44Å; L564-V616 HydrophobicContact CD1-CG1 3.76Å; L564-V616 HydrophobicContact CD2-CG1 3.73Å; L564-V616 HydrophobicContact CG-CG1 3.69Å; V616-I635 HydrophobicContact CB-CD1 4.39Å; V616-I635 HydrophobicContact CB-CG1 4.12Å; V616-I635 HydrophobicContact CG1-CD1 3.7Å; V616-I635 HydrophobicContact CG1-CG1 3.96Å; V616-I635 WeakPolarHBondContact O-CG1 3.29Å; V616-I635 PolarHBondContact O-N 3.27Å; V616-S636 PolarHBondContact N-OG 2.88Å; V616-S636 PolarHBondContact O-N 3.47Å
617	V	86.3	Confident	72	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	149.6	-177.5	-54.2	0	0	0	0	111.4	R565 R567 L577 F633	R565-V617 HydrophobicContact CB-CG2 3.81Å; R565-V617 PolarHBondContact N-O 3.26Å; R565-V617 WeakPolarHBondContact O-CG2 3.41Å; R565-V617 PolarHBondContact O-N 3.42Å; R567-V617 HydrophobicContact CB-CG1 3.65Å; R567-V617 HydrophobicContact CB-CG2 4.08Å; L577-V617 HydrophobicContact CD2-CG2 3.99Å; V617-F633 CarbonylContact C-O 3.59Å; V617-F633 WeakPolarHBondContact CA-O 3.25Å; V617-F633 WeakPolarHBondContact CB-O 3.44Å
618	L	83.2	Confident	69.8	Low	10 Å²	10	59.9 Å²	59.9	5%	0.052	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	128.4	174	-169.6	66.7	0	0	0	109.9	L471 L522 F556 R563 S632 F633 I635	L471-L618 HydrophobicContact CD2-CD2 4.1Å; L522-L618 HydrophobicContact CD1-CD2 3.64Å; F556-L618 HydrophobicContact CE1-CD1 4.29Å; R563-L618 HydrophobicContact CB-CD1 3.84Å; L618-S632 CarbonylContact O-C 3.5Å; L618-S632 WeakPolarHBondContact O-CA 3.5Å; L618-F633 PolarHBondContact N-O 3.18Å; L618-F633 PolarHBondContact O-N 3.06Å; L618-I635 HydrophobicContact CB-CD1 4.4Å; L618-I635 HydrophobicContact CB-CG2 3.95Å
619	L	77.7	Confident	67.9	Low	13 Å²	13	63.1 Å²	63.1	7%	0.068	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	127.2	174.2	-65.6	174.1	0	0	0	110.6	R563 R565 L577 M630	R563-L619 WeakPolarHBondContact O-CG 3.43Å; R563-L619 PolarHBondContact O-N 3.43Å; R563-L619 VanDerWaalsContact O-N 3.09Å; R565-L619 HydrophobicContact CG-CD1 3.59Å; R565-L619 HydrophobicContact CG-CD2 4.27Å; R565-L619 HydrophobicContact CG-CG 3.76Å; L577-L619 HydrophobicContact CD1-CD2 4.45Å; L619-M630 HydrophobicContact CD1-CE 3.9Å; L619-M630 HydrophobicContact CD1-SD 4.18Å; L619-M630 HydrophobicContact CD2-CG 4.23Å; L619-M630 HydrophobicContact CD2-SD 4.08Å
620	G	62.9	Low	66.2	Low	14 Å²	14	66.9 Å²	66.9	14%	0.144	33%	0.328	C	S	.	.	P	Polyproline II helix	trans	-67.1	147.5	173.5	0	0	0	0	0	112.3	R622 Q631	G620-R622 PolarHBondContact O-N 3.42Å; G620-Q631 PolarHBondContact N-O 3.09Å
621	H	57.9	Low	64.9	Low	87 Å²	87	68.3 Å²	68.3	40%	0.403	33%	0.331	S	S	.	.	P	Polyproline II helix	trans	-68.9	128.9	175	-140.3	-89.7	0	0	0	109.4	I623 L624	H621-I623 PolarHBondContact O-N 3.5Å; H621-I623 VanDerWaalsContact O-N 3.09Å; H621-L624 HydrophobicContact CB-CD1 3.75Å; H621-L624 HydrophobicContact CB-CG 4.3Å; H621-L624 PolarHBondContact O-N 2.91Å
622	R	45.4	Very low	63.9	Low	187 Å²	187	67.8 Å²	67.8	71%	0.706	33%	0.329	S	S	*	.	H	α-helix	trans	-51.7	-35.4	178.5	-81.8	-174.7	172.5	-178.2	-2.8	112.9	G620 L624	G620-R622 PolarHBondContact O-N 3.42Å; R622-L624 PolarHBondContact O-N 3.2Å
623	I	40.4	Very low	63	Low	140 Å²	140	69.3 Å²	69.3	72%	0.718	34%	0.335	S	S	*	.	H	α-helix	trans	-65.5	-25.7	-177.9	-60.6	175	0	0	0	112.3	H621	H621-I623 PolarHBondContact O-N 3.5Å; H621-I623 VanDerWaalsContact O-N 3.09Å
624	L	39.4	Very low	62.1	Low	89 Å²	89	68.8 Å²	68.8	47%	0.466	34%	0.338	S	S	.	.	H	α-helix	trans	-96.6	-18.6	-172.6	-71.2	162.1	0	0	0	113.6	F467 H621 R622	F467-L624 HydrophobicContact CE1-CD1 3.46Å; F467-L624 VanDerWaalsContact CE1-CD1 3.46Å; F467-L624 HydrophobicContact CE1-CD2 4.41Å; F467-L624 HydrophobicContact CE1-CG 4.37Å; F467-L624 HydrophobicContact CE2-CD1 4.18Å; F467-L624 HydrophobicContact CE2-CD2 3.61Å; F467-L624 HydrophobicContact CE2-CG 4.41Å; F467-L624 HydrophobicContact CZ-CB 4.43Å; F467-L624 HydrophobicContact CZ-CD1 3.18Å; F467-L624 HydrophobicContact CZ-CD2 3.47Å; F467-L624 VanDerWaalsContact CZ-CD2 3.47Å; F467-L624 HydrophobicContact CZ-CG 3.84Å; H621-L624 HydrophobicContact CB-CD1 3.75Å; H621-L624 HydrophobicContact CB-CG 4.3Å; H621-L624 PolarHBondContact O-N 2.91Å; R622-L624 PolarHBondContact O-N 3.2Å
625	L	43.4	Very low	61.4	Low	32 Å²	32	69.7 Å²	69.7	17%	0.168	34%	0.342	C	S	.	.	H	α-helix	trans	-95.1	-8.9	-168.1	-76.2	170.2	0	0	0	114.5	N627 Q631 F633	L625-N627 WeakPolarHBondContact O-CB 3.49Å; L625-N627 PolarHBondContact O-N 3.33Å; L625-Q631 HydrophobicContact CD1-CB 3.74Å; L625-Q631 HydrophobicContact CD1-CG 4.18Å; L625-Q631 HydrophobicContact CD2-CB 4.44Å; L625-Q631 HydrophobicContact CD2-CG 4.47Å; L625-Q631 VanDerWaalsContact CD2-OE1 3.28Å; L625-F633 HydrophobicContact CD2-CZ 4.13Å
626	L	39.9	Very low	61	Low	153 Å²	153	70.1 Å²	70.1	80%	0.801	35%	0.346	S	S	*	.			trans	43.7	22.9	-178.4	-79.4	160.7	0	0	0	113.7
627	N	41.8	Very low	60.6	Low	64 Å²	64	77 Å²	77	34%	0.342	38%	0.382	S	S	.	.	S	Bend	trans	-133.4	130.5	-175.1	-99.5	-30.4	0	0	0	106.4	L625 K629	L625-N627 WeakPolarHBondContact O-CB 3.49Å; L625-N627 PolarHBondContact O-N 3.33Å; N627-K629 PolarHBondContact O-N 2.95Å
628	E	40.7	Very low	60.5	Low	197 Å²	197	79.4 Å²	79.4	92%	0.921	40%	0.399	S	S	*	.	S	Bend	trans	-65.5	-18.6	175.9	-62.6	-170.4	154.3	0	0	112.1
629	K	47.4	Very low	60.6	Low	178 Å²	178	79.7 Å²	79.7	77%	0.774	40%	0.401	S	S	*	.	S	Bend	trans	-83.7	117.9	176.7	-65.7	-173.1	179.8	-179.7	0	111	N627 Q631	N627-K629 PolarHBondContact O-N 2.95Å; K629-Q631 PolarHBondContact O-N 3.24Å; K629-Q631 VanDerWaalsContact O-N 3.1Å
630	M	52	Low	61.1	Low	112 Å²	112	85 Å²	85	55%	0.552	42%	0.42	S	S	*	.			trans	-61.2	108.3	175.1	-157.1	179.3	-145.1	0	0	109.7	L619	L619-M630 HydrophobicContact CD1-CE 3.9Å; L619-M630 HydrophobicContact CD1-SD 4.18Å; L619-M630 HydrophobicContact CD2-CG 4.23Å; L619-M630 HydrophobicContact CD2-SD 4.08Å
631	Q	63.1	Low	62.3	Low	51 Å²	51	84.4 Å²	84.4	24%	0.238	41%	0.414	C	S	.	.			trans	-86.8	139.1	175.8	-61.4	-174.5	-12.9	0	0	110.5	G620 L625 K629	G620-Q631 PolarHBondContact N-O 3.09Å; L625-Q631 HydrophobicContact CD1-CB 3.74Å; L625-Q631 HydrophobicContact CD1-CG 4.18Å; L625-Q631 HydrophobicContact CD2-CB 4.44Å; L625-Q631 HydrophobicContact CD2-CG 4.47Å; L625-Q631 VanDerWaalsContact CD2-OE1 3.28Å; K629-Q631 PolarHBondContact O-N 3.24Å; K629-Q631 VanDerWaalsContact O-N 3.1Å
632	S	70.1	Confident	63.8	Low	42 Å²	42	82 Å²	82	29%	0.294	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	133.1	173.5	63.9	0	0	0	0	110	L618	L618-S632 CarbonylContact O-C 3.5Å; L618-S632 WeakPolarHBondContact O-CA 3.5Å
633	F	71.2	Confident	65.9	Low	32 Å²	32	73.1 Å²	73.1	14%	0.14	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	128.1	178.8	-58.8	-82	0	0	0	110.1	L471 V617 L618 L625 I635	L471-F633 HydrophobicContact CB-CD1 4.42Å; L471-F633 HydrophobicContact CD1-CD1 3.99Å; L471-F633 HydrophobicContact CD1-CD2 3.66Å; L471-F633 HydrophobicContact CD1-CE1 3.97Å; L471-F633 HydrophobicContact CD1-CE2 3.63Å; L471-F633 HydrophobicContact CD1-CG 3.84Å; L471-F633 HydrophobicContact CD1-CZ 3.79Å; L471-F633 HydrophobicContact CD2-CB 3.9Å; L471-F633 HydrophobicContact CD2-CD2 4.06Å; L471-F633 HydrophobicContact CD2-CG 3.96Å; L471-F633 HydrophobicContact CG-CD2 4.45Å; L471-F633 HydrophobicContact CG-CG 4.32Å; V617-F633 CarbonylContact C-O 3.59Å; V617-F633 WeakPolarHBondContact CA-O 3.25Å; V617-F633 WeakPolarHBondContact CB-O 3.44Å; L618-F633 PolarHBondContact N-O 3.18Å; L618-F633 PolarHBondContact O-N 3.06Å; L625-F633 HydrophobicContact CD2-CZ 4.13Å; F633-I635 PolarHBondContact O-N 3.44Å
634	S	72.8	Confident	68.3	Low	44 Å²	44	69.2 Å²	69.2	31%	0.308	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	121.8	174.2	-152.4	0	0	0	0	109.6	R567 S636	R567-S634 PolarHBondContact NH2-OG 3.15Å; S634-S636 PolarHBondContact OG-O 2.87Å
635	I	77.4	Confident	70.6	Confident	18 Å²	18	65 Å²	65	9%	0.092	32%	0.324	C	S	.	.			trans	-107.2	-9.3	177.4	52.2	168.5	0	0	0	112.1	A524 F556 L564 V616 L618 F633	A524-I635 HydrophobicContact CB-CB 4.49Å; A524-I635 HydrophobicContact CB-CD1 3.98Å; A524-I635 HydrophobicContact CB-CG1 3.99Å; A524-I635 PolarHBondContact N-O 3.33Å; F556-I635 HydrophobicContact CE1-CD1 3.95Å; F556-I635 HydrophobicContact CE2-CD1 4.4Å; F556-I635 HydrophobicContact CZ-CD1 3.4Å; L564-I635 HydrophobicContact CD1-CD1 4.12Å; V616-I635 HydrophobicContact CB-CD1 4.39Å; V616-I635 HydrophobicContact CB-CG1 4.12Å; V616-I635 HydrophobicContact CG1-CD1 3.7Å; V616-I635 HydrophobicContact CG1-CG1 3.96Å; V616-I635 WeakPolarHBondContact O-CG1 3.29Å; V616-I635 PolarHBondContact O-N 3.27Å; L618-I635 HydrophobicContact CB-CD1 4.4Å; L618-I635 HydrophobicContact CB-CG2 3.95Å; F633-I635 PolarHBondContact O-N 3.44Å
636	S	79.7	Confident	72.6	Confident	10 Å²	10	68.2 Å²	68.2	7%	0.07	34%	0.337	C	S	.	.	S	Bend	trans	-121.2	163.9	168.9	78.1	0	0	0	0	111.4	A524 I526 V616 S634	A524-S636 VanDerWaalsContact O-CA 3.27Å; A524-S636 WeakPolarHBondContact O-CA 3.23Å; A524-S636 WeakPolarHBondContact O-CB 3.38Å; I526-S636 WeakPolarHBondContact CD1-OG 3.36Å; V616-S636 PolarHBondContact N-OG 2.88Å; V616-S636 PolarHBondContact O-N 3.47Å; S634-S636 PolarHBondContact OG-O 2.87Å
637	N	79.7	Confident	74.4	Confident	145 Å²	145	68 Å²	68	78%	0.775	34%	0.335	S	S	*	.			trans	-64.9	151.5	158.4	-66.4	-18.3	0	0	0	109.4
638	S	83.8	Confident	75.8	Confident	49 Å²	49	73.9 Å²	73.9	34%	0.343	37%	0.365	S	S	.	.			trans	-76.2	140.8	171.5	-62.1	0	0	0	0	110.1	L614	L614-S638 CarbonylContact O-C 3.59Å; L614-S638 VanDerWaalsContact O-CA 3.29Å; L614-S638 WeakPolarHBondContact O-CA 3.41Å
639	V	86.3	Confident	77.6	Confident	17 Å²	17	67.7 Å²	67.7	10%	0.103	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	139.2	173.2	173.1	0	0	0	0	108.5	I526 P529 D531 E613 L614	I526-V639 HydrophobicContact CB-CG2 3.91Å; I526-V639 HydrophobicContact CD1-CG2 4.04Å; I526-V639 HydrophobicContact CG2-CG2 3.92Å; P529-V639 HydrophobicContact CG-CG1 4.07Å; P529-V639 VanDerWaalsContact O-CG1 3.31Å; P529-V639 WeakPolarHBondContact O-CG1 3.48Å; D531-V639 HydrophobicContact CB-CG1 4.2Å; E613-V639 CarbonylContact C-O 3.58Å; E613-V639 WeakPolarHBondContact CA-O 3.04Å; L614-V639 PolarHBondContact N-O 3.38Å; L614-V639 PolarHBondContact O-N 3.28Å
640	R	88.3	Confident	79.1	Confident	123 Å²	123	61.9 Å²	61.9	46%	0.464	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	122.8	177.5	-61.3	180	172.3	156.6	0.7	110.6	D531 P611 V612 E613	D531-R640 WeakPolarHBondContact OD1-CB 3.49Å; P611-R640 HydrophobicContact CB-CB 4.17Å; V612-R640 WeakPolarHBondContact O-CA 3.44Å; E613-R640 HydrophobicContact CG-CG 4.22Å; E613-R640 IonicContact OE1-CZ 3.36Å; E613-R640 IonicContact OE1-NE 3.76Å; E613-R640 PolarHBondContact OE1-NE 3.08Å; E613-R640 IonicContact OE1-NH2 3.37Å; E613-R640 PolarHBondContact OE1-NH2 3.07Å
641	A	87.5	Confident	80.6	Confident	3 Å²	3	59.1 Å²	59.1	3%	0.025	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	125.5	170.9	0	0	0	0	0	109.1	P529 Y537 I547 V612 L614	P529-A641 HydrophobicContact CG-CB 4.09Å; Y537-A641 HydrophobicContact CE2-CB 4.3Å; I547-A641 HydrophobicContact CD1-CB 4.41Å; V612-A641 PolarHBondContact N-O 2.7Å; V612-A641 PolarHBondContact O-N 3.43Å; L614-A641 HydrophobicContact CD1-CB 4.04Å
642	H	89.2	Confident	81.7	Confident	36 Å²	36	59.6 Å²	59.6	17%	0.167	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	123	177.8	-76.8	-106.4	0	0	0	110.3	I536 Y537	I536-H642 WeakPolarHBondContact CA-O 3.4Å; I536-H642 HydrophobicContact CG1-CB 4.25Å; Y537-H642 PolarHBondContact N-O 3.29Å
643	V	89.8	Confident	82.4	Confident	0 Å²	0	60.7 Å²	60.7	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	139.8	-173.1	178.5	0	0	0	0	109.4	F539 L545 I547 L601 W606 S609 A610 V612	F539-V643 HydrophobicContact CD1-CG1 3.95Å; F539-V643 HydrophobicContact CE1-CG1 3.37Å; F539-V643 HydrophobicContact CZ-CG1 4.39Å; L545-V643 HydrophobicContact CD2-CG1 3.8Å; L545-V643 HydrophobicContact CD2-CG2 4.25Å; I547-V643 HydrophobicContact CD1-CG2 3.82Å; L601-V643 HydrophobicContact CD1-CG2 4.33Å; L601-V643 HydrophobicContact CD2-CG1 4.13Å; W606-V643 HydrophobicContact CZ3-CB 4.28Å; W606-V643 WeakPolarHBondContact CZ3-O 3.21Å; S609-V643 WeakPolarHBondContact CA-O 3.4Å; A610-V643 PolarHBondContact N-O 3.43Å; A610-V643 PolarHBondContact O-N 3.49Å; V612-V643 HydrophobicContact CB-CG2 4.45Å; V612-V643 HydrophobicContact CG2-CB 4.01Å; V612-V643 HydrophobicContact CG2-CG2 3.85Å
644	Y	90.1	Very high	83.2	Confident	59 Å²	59	62.6 Å²	62.6	23%	0.231	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	93.6	178.7	-176.1	-143.1	0	0	0	111.8	Y537 R538 F539 W606 K646	Y537-Y644 PolarHBondContact O-N 3.01Å; R538-Y644 WeakPolarHBondContact CA-O 3.36Å; R538-Y644 HydrophobicContact CG-CD1 4.2Å; F539-Y644 PolarHBondContact N-O 3.32Å; W606-Y644 WeakPolarHBondContact O-CE2 3.45Å; Y644-K646 HydrophobicContact CD1-CD 4.41Å; Y644-K646 HydrophobicContact CD1-CG 3.86Å; Y644-K646 HydrophobicContact CE1-CD 4.02Å; Y644-K646 HydrophobicContact CE1-CG 3.54Å; Y644-K646 HydrophobicContact CE2-CG 4.43Å; Y644-K646 HydrophobicContact CG-CG 4.46Å; Y644-K646 PolarHBondContact O-N 3.23Å
645	P	88.5	Confident	83.9	Confident	0 Å²	0	63.9 Å²	63.9	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	112.4	170.2	25.3	-24.8	0	0	0	110.4	F539 A603 P604 A605 W606	F539-P645 HydrophobicContact CD1-CB 4.2Å; F539-P645 HydrophobicContact CE1-CB 3.51Å; F539-P645 HydrophobicContact CE1-CG 4.07Å; F539-P645 HydrophobicContact CE2-CB 4.2Å; F539-P645 HydrophobicContact CZ-CB 3.55Å; F539-P645 HydrophobicContact CZ-CG 4.24Å; F539-P645 CarbonylContact O-C 3.52Å; F539-P645 VanDerWaalsContact O-CA 3.31Å; F539-P645 WeakPolarHBondContact O-CA 3.49Å; A603-P645 HydrophobicContact CB-CG 4.19Å; P604-P645 WeakPolarHBondContact O-CB 3.45Å; P604-P645 WeakPolarHBondContact O-CG 3.36Å; A605-P645 WeakPolarHBondContact CA-O 3.35Å; W606-P645 HydrophobicContact CB-CG 3.81Å; W606-P645 HydrophobicContact CD2-CG 3.36Å; W606-P645 HydrophobicContact CE3-CG 3.74Å; W606-P645 HydrophobicContact CG-CG 3.39Å; W606-P645 HydrophobicContact CZ3-CG 4.43Å; W606-P645 PolarHBondContact N-O 3.4Å
646	K	84.6	Confident	84.4	Confident	100 Å²	100	67.5 Å²	67.5	44%	0.435	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	142.7	177	-72.9	-175.4	170.5	-173.3	0	111.7	F539 A540 G541 Y644 I648	F539-K646 PolarHBondContact O-N 3.25Å; A540-K646 CarbonylContact C-O 3.32Å; G541-K646 PolarHBondContact N-O 3.44Å; Y644-K646 HydrophobicContact CD1-CD 4.41Å; Y644-K646 HydrophobicContact CD1-CG 3.86Å; Y644-K646 HydrophobicContact CE1-CD 4.02Å; Y644-K646 HydrophobicContact CE1-CG 3.54Å; Y644-K646 HydrophobicContact CE2-CG 4.43Å; Y644-K646 HydrophobicContact CG-CG 4.46Å; Y644-K646 PolarHBondContact O-N 3.23Å; K646-I648 PolarHBondContact O-N 3.2Å
647	L	78.7	Confident	84.8	Confident	147 Å²	147	72.3 Å²	72.3	77%	0.77	36%	0.356	S	S	*	.			trans	-64.6	127.6	162.9	-125.7	129.7	0	0	0	107.9	A605	A605-L647 HydrophobicContact CB-CB 3.96Å; A605-L647 HydrophobicContact CB-CD1 3.6Å; A605-L647 HydrophobicContact CB-CG 3.79Å
648	I	71.1	Confident	85.3	Confident	188 Å²	188	65.6 Å²	65.6	96%	0.964	32%	0.318	S	S	*	.			trans	-69.6	0	171.7	-64.8	167.1	0	0	0	108.7	A540 K646	A540-I648 HydrophobicContact CB-CD1 3.4Å; A540-I648 VanDerWaalsContact CB-CD1 3.4Å; A540-I648 HydrophobicContact CB-CG1 3.42Å; A540-I648 VanDerWaalsContact CB-CG1 3.42Å; K646-I648 PolarHBondContact O-N 3.2Å

Retrieved 648 of 648 residues in 1073 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).