A0A077Z5L2_TRITR Loading...

Engulfment and cell motility protein 1

AlphaFold DB , UniProt , Accession A0A077Z5L2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 734 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.7	Very low	30.6	Very low	253 Å²	253	146.6 Å²	146.6	100%	1.246	88%	0.881	S	S	*	*				0	143.5	0	-76.3	168.1	163	0	0	108.7
2	R	28.2	Very low	31.3	Very low	248 Å²	248	143.1 Å²	143.1	94%	0.936	87%	0.868	S	S	*	*			trans	-99.2	138.7	-173.9	-71.1	177.6	173.1	172.5	-3.5	112.2
3	R	33.5	Very low	32.1	Very low	235 Å²	235	137.4 Å²	137.4	89%	0.887	83%	0.834	S	S	*	*			trans	172.1	116.8	142	-96.4	169	-171.2	-158.9	2.3	106.1
4	S	32.1	Very low	32.6	Very low	114 Å²	114	141.9 Å²	141.9	80%	0.797	84%	0.838	S	S	*	*				48.1	112.7	59.3	76.8	0	0	0	0	112.5
5	G	30	Very low	33.2	Very low	68 Å²	68	137.6 Å²	137.6	70%	0.701	80%	0.804	S	S	*	*			cis	158.3	140.4	-2.8	0	0	0	0	0	108.3
6	D	30.7	Very low	33.8	Very low	177 Å²	177	132.8 Å²	132.8	95%	0.947	79%	0.785	S	S	*	*			trans	-154.4	146.9	170.1	-109.2	-34.7	0	0	0	110.3
7	S	28	Very low	34.1	Very low	116 Å²	116	137.1 Å²	137.1	81%	0.811	79%	0.791	S	S	*	*			trans	-130.2	112.6	-162.7	55.6	0	0	0	0	113
8	S	31.3	Very low	34.3	Very low	108 Å²	108	134.2 Å²	134.2	76%	0.755	78%	0.781	S	S	*	*			trans	-160.5	120.7	163.8	56.5	0	0	0	0	110.4
9	S	34.1	Very low	34.7	Very low	126 Å²	126	131.2 Å²	131.2	88%	0.881	76%	0.761	S	S	*	*			trans	46.9	118.3	174.4	59.6	0	0	0	0	117.4
10	G	29.2	Very low	34.8	Very low	81 Å²	81	129 Å²	129	84%	0.835	75%	0.753	S	S	*	*			cis	132.8	90.9	12	0	0	0	0	0	109.7
11	G	27.2	Very low	35.2	Very low	87 Å²	87	127.1 Å²	127.1	90%	0.897	75%	0.745	S	S	*	*			trans	78.6	67	166.1	0	0	0	0	0	117.5
12	S	38.3	Very low	35.8	Very low	104 Å²	104	122.1 Å²	122.1	73%	0.727	71%	0.713	S	S	*	*			trans	-125.1	121.5	152.1	-179.8	0	0	0	0	108.3
13	T	41.8	Very low	36.5	Very low	69 Å²	69	119.9 Å²	119.9	42%	0.423	71%	0.707	S	S	.	*			trans	-70.4	155.2	-169.1	49.4	0	0	0	0	112.4	F15 A16 E37	T13-F15 PolarHBondContact O-N 3.09Å; T13-A16 PolarHBondContact O-N 2.82Å; T13-E37 PolarHBondContact OG1-OE1 2.95Å
14	F	39.4	Very low	37	Very low	201 Å²	201	112.8 Å²	112.8	88%	0.882	69%	0.691	S	S	*	*	G	3₁₀ helix	trans	-57.5	-17.1	-170.7	-162.8	-99.7	0	0	0	114.9
15	F	41.4	Very low	37.7	Very low	77 Å²	77	112.5 Å²	112.5	34%	0.338	67%	0.672	S	S	.	*	G	3₁₀ helix	trans	-68.4	-33.1	-175.4	-79.5	-81.2	0	0	0	114.9	T13 K17 S18 P55 L57	T13-F15 PolarHBondContact O-N 3.09Å; F15-K17 PolarHBondContact O-N 3.18Å; F15-S18 PolarHBondContact O-N 3.45Å; F15-S18 PolarHBondContact O-OG 3.46Å; F15-S18 VanDerWaalsContact O-OG 3.07Å; F15-P55 HydrophobicContact CD2-CB 4.39Å; F15-P55 HydrophobicContact CD2-CG 4.38Å; F15-P55 HydrophobicContact CE2-CB 4.08Å; F15-P55 HydrophobicContact CE2-CG 4.17Å; F15-L57 HydrophobicContact CE1-CD1 4.34Å; F15-L57 HydrophobicContact CE1-CD2 4.47Å
16	A	42.3	Very low	38.4	Very low	60 Å²	60	118.7 Å²	118.7	50%	0.496	68%	0.675	S	S	.	*	G	3₁₀ helix	trans	-63.4	-10.8	-173.8	0	0	0	0	0	114.7	T13	T13-A16 PolarHBondContact O-N 2.82Å
17	K	39.7	Very low	39.2	Very low	206 Å²	206	118.4 Å²	118.4	90%	0.896	67%	0.672	S	S	*	*	G	3₁₀ helix	trans	-98.9	-11.5	177.5	-71.8	-178.2	177.2	175.9	0	114.7	F15	F15-K17 PolarHBondContact O-N 3.18Å
18	S	37.7	Very low	40.4	Very low	86 Å²	86	120.1 Å²	120.1	60%	0.601	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.4	-19.8	-175	61.1	0	0	0	0	114.3	F15	F15-S18 PolarHBondContact O-N 3.45Å; F15-S18 PolarHBondContact O-OG 3.46Å; F15-S18 VanDerWaalsContact O-OG 3.07Å
19	L	40.9	Very low	41.8	Very low	76 Å²	76	118 Å²	118	40%	0.398	65%	0.653	S	S	.	*	S	Bend	trans	-102.2	103.4	175.8	-67	169	0	0	0	109.5	P21	L19-P21 WeakPolarHBondContact O-CD 3.36Å
20	S	37.3	Very low	43.9	Very low	87 Å²	87	114.3 Å²	114.3	61%	0.608	63%	0.627	S	S	*	*			trans	-64.4	119.2	170.7	-178.4	0	0	0	0	109.1	Y22	S20-Y22 PolarHBondContact O-N 2.69Å
21	P	44.2	Very low	46.5	Very low	91 Å²	91	113 Å²	113	59%	0.591	60%	0.602	S	S	*	*	S	Bend	trans	-80.5	36.7	-173.1	33.7	-35.9	0	0	0	112.5	L19	L19-P21 WeakPolarHBondContact O-CD 3.36Å
22	Y	44	Very low	49.3	Very low	147 Å²	147	108.9 Å²	108.9	58%	0.576	56%	0.559	S	S	*	*			trans	-143.8	62.6	-168.2	-72.9	-76.7	0	0	0	112.3	S20 K616	S20-Y22 PolarHBondContact O-N 2.69Å; Y22-K616 PolarHBondContact OH-NZ 3.5Å
23	Y	43.8	Very low	51.6	Low	202 Å²	202	110.2 Å²	110.2	79%	0.792	55%	0.552	S	S	*	*			trans	-113.4	123.8	150	-90.3	-86.7	0	0	0	108
24	P	44.6	Very low	53.9	Low	85 Å²	85	107 Å²	107	55%	0.552	53%	0.533	S	S	*	.	P	Polyproline II helix	trans	-58.9	147.7	174	-19	30.6	0	0	0	110.2	R26	P24-R26 PolarHBondContact O-N 3.02Å
25	R	45.1	Very low	56.3	Low	109 Å²	109	97.8 Å²	97.8	41%	0.411	49%	0.494	S	S	.	.	P	Polyproline II helix	trans	-57.7	117.8	166.2	-91.3	-173.6	174	170.8	1.4	108.2	F103 L105	R25-F103 VanDerWaalsContact CZ-O 3.3Å; R25-F103 PolarHBondContact NH1-O 2.95Å; R25-F103 PolarHBondContact NH2-O 3.25Å; R25-L105 PolarHBondContact NH2-O 2.93Å
26	R	44.9	Very low	58.8	Low	198 Å²	198	94.2 Å²	94.2	75%	0.747	48%	0.478	S	S	*	.	P	Polyproline II helix	trans	-70.8	141.3	153.2	-69.1	-178.3	174.1	-172.3	-2.3	106.5	P24 D28 D29	P24-R26 PolarHBondContact O-N 3.02Å; R26-D28 PolarHBondContact O-N 3.28Å; R26-D29 PolarHBondContact O-N 3.38Å
27	L	49	Very low	61.3	Low	171 Å²	171	93.3 Å²	93.3	90%	0.895	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-7.8	-179.9	-82.3	136.1	0	0	0	114.1
28	D	53	Low	63.8	Low	152 Å²	152	84.3 Å²	84.3	81%	0.813	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.7	3.3	177.2	-91.4	-30.9	0	0	0	114.9	R26 S30	R26-D28 PolarHBondContact O-N 3.28Å; D28-S30 PolarHBondContact O-N 3.23Å
29	D	59.7	Low	66.4	Low	64 Å²	64	80.6 Å²	80.6	34%	0.342	40%	0.399	S	S	.	.			trans	-76.5	67.8	177.6	-84.2	1.6	0	0	0	111.4	R26 V31 N107	R26-D29 PolarHBondContact O-N 3.38Å; D29-V31 PolarHBondContact O-N 2.72Å; D29-N107 PolarHBondContact OD2-ND2 3.42Å
30	S	77.9	Confident	68.8	Low	48 Å²	48	81.1 Å²	81.1	34%	0.336	41%	0.407	S	S	.	.			trans	-65.2	-16.3	169.9	59	0	0	0	0	112.9	D28 N61 Q62 H63	D28-S30 PolarHBondContact O-N 3.23Å; S30-N61 CarbonylContact O-C 3.56Å; S30-Q62 WeakPolarHBondContact O-CB 3.2Å; S30-Q62 PolarHBondContact O-N 3.48Å; S30-H63 WeakPolarHBondContact CB-NE2 3.33Å
31	V	83.9	Confident	71.3	Confident	53 Å²	53	79 Å²	79	32%	0.321	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	114.3	178.6	-177.6	0	0	0	0	110	D29 Q59 V60 N61	D29-V31 PolarHBondContact O-N 2.72Å; V31-Q59 HydrophobicContact CG1-CB 3.67Å; V31-Q59 HydrophobicContact CG1-CG 4.25Å; V31-V60 WeakPolarHBondContact CA-O 3.35Å; V31-N61 HydrophobicContact CG2-CB 4.37Å
32	L	85.7	Confident	73.7	Confident	0 Å²	0	74.6 Å²	74.6	0%	0	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	137.9	178.9	-59	-176.8	0	0	0	111.7	Q59 V60 Q62 L105	L32-Q59 CarbonylContact O-C 3.56Å; L32-Q59 WeakPolarHBondContact O-CA 3.39Å; L32-V60 PolarHBondContact N-O 3.04Å; L32-V60 PolarHBondContact O-N 3.3Å; L32-Q62 HydrophobicContact CD1-CG 4.39Å; L32-Q62 HydrophobicContact CG-CG 4.39Å; L32-L105 HydrophobicContact CD1-CB 3.64Å; L32-L105 WeakPolarHBondContact CD1-O 3.39Å
33	K	88	Confident	75.9	Confident	132 Å²	132	70.7 Å²	70.7	57%	0.574	35%	0.352	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.9	116	172.6	-67.1	171.3	-175.1	173.2	0	109.5	L58 Q59 N107 G108	K33-L58 WeakPolarHBondContact CA-O 3.35Å; K33-Q59 HydrophobicContact CG-CG 4.15Å; K33-N107 PolarHBondContact N-OD1 2.75Å; K33-G108 PolarHBondContact O-N 2.81Å
34	V	89.9	Confident	78.2	Confident	3 Å²	3	64.5 Å²	64.5	2%	0.018	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	153.8	179.9	-60.9	0	0	0	0	110.9	V36 L58 V60 D109 L111	V34-V36 HydrophobicContact CG2-CG2 4.27Å; V34-L58 HydrophobicContact CG2-CB 4.1Å; V34-L58 PolarHBondContact N-O 2.95Å; V34-L58 PolarHBondContact O-N 3.43Å; V34-V60 HydrophobicContact CG2-CG2 3.6Å; V34-D109 WeakPolarHBondContact CA-O 3.42Å; V34-D109 WeakPolarHBondContact CB-O 3.41Å; V34-D109 HydrophobicContact CG1-CB 4.41Å; V34-L111 HydrophobicContact CB-CD1 4.39Å; V34-L111 HydrophobicContact CG2-CD1 4.16Å
35	G	90.4	Very high	80.4	Confident	7 Å²	7	61.3 Å²	61.3	7%	0.072	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	143.8	164.3	0	0	0	0	0	109.9	Q56 D109 V110 L111	G35-Q56 CarbonylContact C-O 3.49Å; G35-Q56 WeakPolarHBondContact CA-O 3.49Å; G35-D109 PolarHBondContact N-O 3.11Å; G35-V110 CarbonylContact O-C 3.57Å; G35-V110 WeakPolarHBondContact O-CA 3.48Å; G35-L111 PolarHBondContact O-N 3Å
36	V	93.7	Very high	82.5	Confident	1 Å²	1	58.5 Å²	58.5	1%	0.006	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	127.2	172	-166	0	0	0	0	109.3	V34 P55 Q56 L58 L73 W77 L87 L111 L113	V34-V36 HydrophobicContact CG2-CG2 4.27Å; V36-P55 WeakPolarHBondContact O-CA 3.25Å; V36-Q56 PolarHBondContact N-O 3.12Å; V36-Q56 PolarHBondContact O-N 3.02Å; V36-L58 HydrophobicContact CG2-CD1 3.9Å; V36-L58 HydrophobicContact CG2-CG 4.46Å; V36-L73 HydrophobicContact CB-CD1 4.41Å; V36-L73 HydrophobicContact CB-CD2 4.23Å; V36-L73 HydrophobicContact CG1-CD1 4.04Å; V36-L73 HydrophobicContact CG1-CD2 4.46Å; V36-L73 HydrophobicContact CG2-CD1 4.22Å; V36-L73 HydrophobicContact CG2-CD2 4.46Å; V36-W77 HydrophobicContact CB-CH2 4.15Å; V36-W77 HydrophobicContact CG1-CH2 3.94Å; V36-W77 HydrophobicContact CG1-CZ3 4.26Å; V36-W77 WeakPolarHBondContact O-CH2 3.49Å; V36-W77 WeakPolarHBondContact O-CZ2 3.4Å; V36-L87 HydrophobicContact CG1-CD2 3.83Å; V36-L111 WeakPolarHBondContact CA-O 3.41Å; V36-L111 HydrophobicContact CG1-CB 4.31Å; V36-L111 HydrophobicContact CG2-CB 4.24Å; V36-L111 HydrophobicContact CG2-CD1 4.47Å; V36-L113 HydrophobicContact CG1-CB 4.11Å
37	E	93.2	Very high	84.6	Confident	42 Å²	42	52.2 Å²	52.2	20%	0.196	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	156.9	173.2	-52.8	-166.4	141.8	0	0	109.2	T13 P55 V110 L111 L112 L113	T13-E37 PolarHBondContact OG1-OE1 2.95Å; E37-P55 HydrophobicContact CG-CB 3.94Å; E37-P55 HydrophobicContact CG-CG 3.85Å; E37-P55 WeakPolarHBondContact OE1-CG 3.34Å; E37-V110 HydrophobicContact CG-CG1 4.11Å; E37-L111 PolarHBondContact N-O 3.06Å; E37-L112 HydrophobicContact CB-CD2 4.17Å; E37-L112 CarbonylContact O-C 3.58Å; E37-L112 WeakPolarHBondContact O-CA 3.39Å; E37-L113 PolarHBondContact O-N 3.07Å
38	L	93.4	Very high	86.5	Confident	17 Å²	17	45.1 Å²	45.1	9%	0.089	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	134.8	170.7	-71	172.9	0	0	0	109.4	P40 L42 L50 K53 W77 L79 L113	L38-P40 WeakPolarHBondContact O-CD 3.13Å; L38-L42 HydrophobicContact CB-CD1 4.25Å; L38-L42 HydrophobicContact CD2-CD1 3.88Å; L38-L50 HydrophobicContact CB-CD2 3.62Å; L38-L50 HydrophobicContact CD1-CD2 3.59Å; L38-L50 HydrophobicContact CG-CD2 4.21Å; L38-K53 HydrophobicContact CD1-CB 3.59Å; L38-K53 HydrophobicContact CD1-CD 3.47Å; L38-K53 VanDerWaalsContact CD1-CD 3.47Å; L38-K53 HydrophobicContact CD1-CG 4.13Å; L38-W77 HydrophobicContact CD1-CD2 4.06Å; L38-W77 HydrophobicContact CD1-CG 4.1Å; L38-W77 HydrophobicContact CD2-CD2 3.78Å; L38-W77 HydrophobicContact CD2-CE3 3.42Å; L38-W77 VanDerWaalsContact CD2-CE3 3.42Å; L38-W77 HydrophobicContact CD2-CG 4.42Å; L38-W77 HydrophobicContact CD2-CH2 4.11Å; L38-W77 HydrophobicContact CD2-CZ2 4.44Å; L38-W77 HydrophobicContact CD2-CZ3 3.59Å; L38-W77 HydrophobicContact CG-CD2 3.85Å; L38-W77 HydrophobicContact CG-CE3 3.94Å; L38-W77 HydrophobicContact CG-CG 4.42Å; L38-W77 HydrophobicContact CG-CH2 4.04Å; L38-W77 HydrophobicContact CG-CZ2 3.97Å; L38-W77 HydrophobicContact CG-CZ3 4.03Å; L38-L79 HydrophobicContact CD2-CD1 3.96Å; L38-L113 HydrophobicContact CD2-CB 4.22Å; L38-L113 HydrophobicContact CD2-CD2 3.9Å
39	N	91.9	Very high	88.2	Confident	7 Å²	7	41.9 Å²	41.9	4%	0.037	26%	0.257	C	S	.	.			trans	-63.1	125.6	175.2	-177.2	0.5	0	0	0	110.3	D41 L42 L112 L113 T114	N39-D41 PolarHBondContact ND2-OD2 2.77Å; N39-D41 PolarHBondContact O-N 3.34Å; N39-D41 VanDerWaalsContact O-N 3.09Å; N39-D41 VanDerWaalsContact OD1-CG 3.28Å; N39-D41 PolarHBondContact OD1-N 2.9Å; N39-D41 PolarHBondContact OD1-OD2 3.27Å; N39-L42 HydrophobicContact CB-CG 4.25Å; N39-L42 VanDerWaalsContact O-CB 3.27Å; N39-L42 WeakPolarHBondContact O-CB 3.48Å; N39-L42 VanDerWaalsContact O-CG 3.29Å; N39-L42 WeakPolarHBondContact O-CG 3.47Å; N39-L42 PolarHBondContact O-N 2.91Å; N39-L112 HydrophobicContact CB-CB 4.22Å; N39-L112 HydrophobicContact CB-CD1 4.3Å; N39-L113 WeakPolarHBondContact CB-O 3.22Å; N39-L113 PolarHBondContact N-O 3.09Å; N39-T114 PolarHBondContact ND2-OG1 3.36Å
40	P	91	Very high	89.5	Confident	88 Å²	88	41 Å²	41	57%	0.571	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.9	-30.1	171.4	-30.4	37.5	0	0	0	114.8	L38 L42 T43 P44	L38-P40 WeakPolarHBondContact O-CD 3.13Å; P40-L42 PolarHBondContact O-N 3.01Å; P40-L42 VanDerWaalsContact O-N 3.16Å; P40-T43 PolarHBondContact O-N 2.87Å; P40-P44 WeakPolarHBondContact O-CD 3.44Å
41	D	91.2	Very high	89.8	Confident	41 Å²	41	46 Å²	46	22%	0.219	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-17.1	177.6	-53.2	-32.5	0	0	0	113.1	N39 T43 P44 L45 Y142 R146	N39-D41 PolarHBondContact ND2-OD2 2.77Å; N39-D41 PolarHBondContact O-N 3.34Å; N39-D41 VanDerWaalsContact O-N 3.09Å; N39-D41 VanDerWaalsContact OD1-CG 3.28Å; N39-D41 PolarHBondContact OD1-N 2.9Å; N39-D41 PolarHBondContact OD1-OD2 3.27Å; D41-T43 VanDerWaalsContact C-N 3.28Å; D41-T43 PolarHBondContact O-N 3.15Å; D41-P44 VanDerWaalsContact O-CD 3.23Å; D41-P44 WeakPolarHBondContact O-CD 3.43Å; D41-P44 WeakPolarHBondContact O-CG 3.49Å; D41-L45 HydrophobicContact CB-CD1 3.71Å; D41-L45 HydrophobicContact CB-CG 4.44Å; D41-L45 VanDerWaalsContact O-CB 3.25Å; D41-L45 WeakPolarHBondContact O-CB 3.43Å; D41-L45 WeakPolarHBondContact O-CD1 3.34Å; D41-L45 VanDerWaalsContact O-CG 3.23Å; D41-L45 WeakPolarHBondContact O-CG 3.46Å; D41-L45 PolarHBondContact O-N 3.4Å; D41-Y142 HydrophobicContact CB-CD1 4.49Å; D41-Y142 HydrophobicContact CB-CE1 4Å; D41-R146 IonicContact OD2-NH2 3.66Å; D41-R146 PolarHBondContact OD2-NH2 2.86Å; D41-R146 VanDerWaalsContact OD2-NH2 3.14Å
42	L	92.7	Very high	89.7	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-64.1	-29	179.7	-70.2	-178.6	0	0	0	113.5	L38 N39 P40 A46 G47 I48 L50 F85 L115	L38-L42 HydrophobicContact CB-CD1 4.25Å; L38-L42 HydrophobicContact CD2-CD1 3.88Å; N39-L42 HydrophobicContact CB-CG 4.25Å; N39-L42 VanDerWaalsContact O-CB 3.27Å; N39-L42 WeakPolarHBondContact O-CB 3.48Å; N39-L42 VanDerWaalsContact O-CG 3.29Å; N39-L42 WeakPolarHBondContact O-CG 3.47Å; N39-L42 PolarHBondContact O-N 2.91Å; P40-L42 PolarHBondContact O-N 3.01Å; P40-L42 VanDerWaalsContact O-N 3.16Å; L42-A46 CarbonylContact O-C 3.56Å; L42-A46 WeakPolarHBondContact O-CA 3.48Å; L42-A46 WeakPolarHBondContact O-CB 3.42Å; L42-A46 PolarHBondContact O-N 2.81Å; L42-G47 PolarHBondContact O-N 2.93Å; L42-I48 HydrophobicContact CB-CB 4.22Å; L42-I48 HydrophobicContact CB-CD1 4.18Å; L42-I48 HydrophobicContact CD1-CD1 4.37Å; L42-I48 HydrophobicContact CD2-CD1 4.32Å; L42-I48 PolarHBondContact O-N 2.82Å; L42-L50 HydrophobicContact CB-CD2 4.47Å; L42-F85 HydrophobicContact CD1-CE1 4.29Å; L42-F85 HydrophobicContact CD2-CD1 4.4Å; L42-F85 HydrophobicContact CD2-CE1 4.06Å; L42-L115 HydrophobicContact CD2-CD2 3.77Å; L42-L115 HydrophobicContact CD2-CG 3.73Å
43	T	91.3	Very high	89.8	Confident	64 Å²	64	54.2 Å²	54.2	39%	0.393	31%	0.307	S	S	.	.	H	α-helix	trans	-67.6	-56.1	176	-55.8	0	0	0	0	111.9	P40 D41 G47 I48 L50	P40-T43 PolarHBondContact O-N 2.87Å; D41-T43 VanDerWaalsContact C-N 3.28Å; D41-T43 PolarHBondContact O-N 3.15Å; T43-G47 VanDerWaalsContact O-CA 3.26Å; T43-G47 WeakPolarHBondContact O-CA 3.28Å; T43-G47 PolarHBondContact O-N 2.82Å; T43-I48 WeakPolarHBondContact CA-O 3.41Å; T43-I48 WeakPolarHBondContact CB-O 3.42Å; T43-I48 PolarHBondContact OG1-O 3.36Å; T43-L50 WeakPolarHBondContact OG1-CD1 3.27Å; T43-L50 WeakPolarHBondContact OG1-CG 3.41Å
44	P	91.3	Very high	89.9	Confident	73 Å²	73	54.1 Å²	54.1	47%	0.474	31%	0.312	S	S	.	.	H	α-helix	trans	-69.4	-30.6	177.8	26.3	-35	0	0	0	114.2	P40 D41 Y142	P40-P44 WeakPolarHBondContact O-CD 3.44Å; D41-P44 VanDerWaalsContact O-CD 3.23Å; D41-P44 WeakPolarHBondContact O-CD 3.43Å; D41-P44 WeakPolarHBondContact O-CG 3.49Å; P44-Y142 WeakPolarHBondContact CG-OH 3.49Å
45	L	91	Very high	89.9	Confident	18 Å²	18	55.7 Å²	55.7	9%	0.094	32%	0.322	C	S	.	.	H	α-helix	trans	-85.2	-32.2	-176.7	-65.2	170.5	0	0	0	114.1	D41 L115 L120 I123 W127 Y142	D41-L45 HydrophobicContact CB-CD1 3.71Å; D41-L45 HydrophobicContact CB-CG 4.44Å; D41-L45 VanDerWaalsContact O-CB 3.25Å; D41-L45 WeakPolarHBondContact O-CB 3.43Å; D41-L45 WeakPolarHBondContact O-CD1 3.34Å; D41-L45 VanDerWaalsContact O-CG 3.23Å; D41-L45 WeakPolarHBondContact O-CG 3.46Å; D41-L45 PolarHBondContact O-N 3.4Å; L45-L115 HydrophobicContact CB-CD1 3.81Å; L45-L115 HydrophobicContact CD1-CD1 4.3Å; L45-L120 HydrophobicContact CD1-CD1 3.8Å; L45-L120 HydrophobicContact CD2-CD1 4.36Å; L45-I123 HydrophobicContact CD2-CG2 4.34Å; L45-W127 HydrophobicContact CD2-CH2 3.64Å; L45-W127 HydrophobicContact CD2-CZ2 4.31Å; L45-W127 HydrophobicContact CD2-CZ3 4.07Å; L45-Y142 HydrophobicContact CD1-CD1 4.16Å; L45-Y142 HydrophobicContact CD1-CE1 4.17Å; L45-Y142 HydrophobicContact CD2-CD1 4.4Å; L45-Y142 HydrophobicContact CD2-CD2 4.21Å; L45-Y142 HydrophobicContact CD2-CE1 4.31Å; L45-Y142 HydrophobicContact CD2-CE2 4.11Å; L45-Y142 HydrophobicContact CD2-CG 4.35Å; L45-Y142 HydrophobicContact CG-CE1 4.24Å
46	A	88.9	Confident	90	Very high	49 Å²	49	57.6 Å²	57.6	41%	0.405	33%	0.329	S	S	.	.	H	α-helix	trans	-133.7	4.4	-171.6	0	0	0	0	0	114.5	L42 I48 L115	L42-A46 CarbonylContact O-C 3.56Å; L42-A46 WeakPolarHBondContact O-CA 3.48Å; L42-A46 WeakPolarHBondContact O-CB 3.42Å; L42-A46 PolarHBondContact O-N 2.81Å; A46-I48 HydrophobicContact CB-CD1 3.85Å; A46-I48 HydrophobicContact CB-CG1 4Å; A46-I48 PolarHBondContact O-N 3.06Å; A46-L115 HydrophobicContact CB-CD1 4.44Å; A46-L115 HydrophobicContact CB-CD2 4.1Å
47	G	89.3	Confident	89.9	Confident	66 Å²	66	62.5 Å²	62.5	68%	0.68	36%	0.355	S	S	*	.			trans	69.1	16.1	179.1	0	0	0	0	0	114.5	L42 T43 D49	L42-G47 PolarHBondContact O-N 2.93Å; T43-G47 VanDerWaalsContact O-CA 3.26Å; T43-G47 WeakPolarHBondContact O-CA 3.28Å; T43-G47 PolarHBondContact O-N 2.82Å; G47-D49 PolarHBondContact O-N 3.06Å
48	I	89.2	Confident	89.6	Confident	23 Å²	23	61 Å²	61	12%	0.118	35%	0.348	C	S	.	.			trans	-78.7	118.4	-176.1	-62.4	169.6	0	0	0	109.1	L42 T43 A46 L50 L79 F85	L42-I48 HydrophobicContact CB-CB 4.22Å; L42-I48 HydrophobicContact CB-CD1 4.18Å; L42-I48 HydrophobicContact CD1-CD1 4.37Å; L42-I48 HydrophobicContact CD2-CD1 4.32Å; L42-I48 PolarHBondContact O-N 2.82Å; T43-I48 WeakPolarHBondContact CA-O 3.41Å; T43-I48 WeakPolarHBondContact CB-O 3.42Å; T43-I48 PolarHBondContact OG1-O 3.36Å; A46-I48 HydrophobicContact CB-CD1 3.85Å; A46-I48 HydrophobicContact CB-CG1 4Å; A46-I48 PolarHBondContact O-N 3.06Å; I48-L50 HydrophobicContact CG2-CD2 4.17Å; I48-L79 HydrophobicContact CD1-CD2 4.19Å; I48-L79 HydrophobicContact CG2-CD2 3.81Å; I48-F85 HydrophobicContact CD1-CE1 3.67Å; I48-F85 HydrophobicContact CD1-CZ 3.66Å
49	D	88.5	Confident	89.3	Confident	84 Å²	84	66.8 Å²	66.8	45%	0.449	38%	0.375	S	S	.	.			trans	-70.7	130.2	169.3	-160	-14.5	0	0	0	109.6	G47 K51 K53	G47-D49 PolarHBondContact O-N 3.06Å; D49-K51 WeakPolarHBondContact OD1-CB 3.42Å; D49-K51 VanDerWaalsContact OD1-CG 3.27Å; D49-K51 WeakPolarHBondContact OD1-CG 3.37Å; D49-K51 PolarHBondContact OD1-N 2.8Å; D49-K51 IonicContact OD2-NZ 3.51Å; D49-K53 VanDerWaalsContact O-CE 3.25Å; D49-K53 WeakPolarHBondContact O-CE 3.21Å
50	L	88	Confident	89.1	Confident	46 Å²	46	66.5 Å²	66.5	24%	0.241	37%	0.373	C	S	.	.			trans	-101.1	-5.1	-178.7	-60.3	178	0	0	0	112.1	L38 L42 T43 I48 D52 K53	L38-L50 HydrophobicContact CB-CD2 3.62Å; L38-L50 HydrophobicContact CD1-CD2 3.59Å; L38-L50 HydrophobicContact CG-CD2 4.21Å; L42-L50 HydrophobicContact CB-CD2 4.47Å; T43-L50 WeakPolarHBondContact OG1-CD1 3.27Å; T43-L50 WeakPolarHBondContact OG1-CG 3.41Å; I48-L50 HydrophobicContact CG2-CD2 4.17Å; L50-D52 PolarHBondContact O-N 3.38Å; L50-K53 PolarHBondContact O-N 2.78Å
51	K	83.4	Confident	88.9	Confident	152 Å²	152	64.8 Å²	64.8	66%	0.661	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	139.8	173.3	-70.6	170.7	-162.6	149.2	0	110.6	D49 K53	D49-K51 WeakPolarHBondContact OD1-CB 3.42Å; D49-K51 VanDerWaalsContact OD1-CG 3.27Å; D49-K51 WeakPolarHBondContact OD1-CG 3.37Å; D49-K51 PolarHBondContact OD1-N 2.8Å; D49-K51 IonicContact OD2-NZ 3.51Å; K51-K53 PolarHBondContact O-N 3.43Å
52	D	82.6	Confident	88.7	Confident	164 Å²	164	63.7 Å²	63.7	88%	0.877	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	60	-0.7	179.2	-50.3	-45.2	0	0	0	116.1	L50 L54	L50-D52 PolarHBondContact O-N 3.38Å; D52-L54 PolarHBondContact O-N 2.88Å; D52-L54 VanDerWaalsContact O-N 3.09Å
53	K	87.2	Confident	88.4	Confident	62 Å²	62	70.8 Å²	70.8	27%	0.27	39%	0.386	S	S	.	.			trans	-83.4	85.1	176.2	-59.6	-161.4	-178.3	-164.3	0	111.4	L38 D49 L50 K51 W77	L38-K53 HydrophobicContact CD1-CB 3.59Å; L38-K53 HydrophobicContact CD1-CD 3.47Å; L38-K53 VanDerWaalsContact CD1-CD 3.47Å; L38-K53 HydrophobicContact CD1-CG 4.13Å; D49-K53 VanDerWaalsContact O-CE 3.25Å; D49-K53 WeakPolarHBondContact O-CE 3.21Å; L50-K53 PolarHBondContact O-N 2.78Å; K51-K53 PolarHBondContact O-N 3.43Å; K53-W77 HydrophobicContact CD-CB 4.35Å; K53-W77 PolarHBondContact NZ-O 2.72Å
54	L	89.5	Confident	88.3	Confident	129 Å²	129	70.9 Å²	70.9	68%	0.675	38%	0.382	S	S	*	.	P	Polyproline II helix	trans	-65.8	150.4	179.4	-65.7	175.1	0	0	0	113.1	D52 W77	D52-L54 PolarHBondContact O-N 2.88Å; D52-L54 VanDerWaalsContact O-N 3.09Å; L54-W77 PolarHBondContact O-NE1 3.34Å
55	P	90.3	Very high	88.3	Confident	37 Å²	37	70.8 Å²	70.8	24%	0.24	38%	0.381	C	S	.	.	P	Polyproline II helix	trans	-50.6	140.3	168.6	-30.7	38	0	0	0	113.6	F15 V36 E37	F15-P55 HydrophobicContact CD2-CB 4.39Å; F15-P55 HydrophobicContact CD2-CG 4.38Å; F15-P55 HydrophobicContact CE2-CB 4.08Å; F15-P55 HydrophobicContact CE2-CG 4.17Å; V36-P55 WeakPolarHBondContact O-CA 3.25Å; E37-P55 HydrophobicContact CG-CB 3.94Å; E37-P55 HydrophobicContact CG-CG 3.85Å; E37-P55 WeakPolarHBondContact OE1-CG 3.34Å
56	Q	92.5	Very high	88.4	Confident	46 Å²	46	70.6 Å²	70.6	22%	0.215	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	138	177.8	-67.5	-66.9	-35.1	0	0	110.6	G35 V36 L73 W77	G35-Q56 CarbonylContact C-O 3.49Å; G35-Q56 WeakPolarHBondContact CA-O 3.49Å; V36-Q56 PolarHBondContact N-O 3.12Å; V36-Q56 PolarHBondContact O-N 3.02Å; Q56-L73 HydrophobicContact CB-CD2 3.99Å; Q56-L73 HydrophobicContact CG-CD2 4.24Å; Q56-W77 HydrophobicContact CB-CH2 4.38Å; Q56-W77 HydrophobicContact CB-CZ2 4.09Å; Q56-W77 HydrophobicContact CG-CD2 4.28Å; Q56-W77 HydrophobicContact CG-CH2 4.14Å; Q56-W77 HydrophobicContact CG-CZ2 3.54Å
57	L	90.9	Very high	88.5	Confident	104 Å²	104	72.9 Å²	72.9	55%	0.545	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	127.9	166.5	-67.1	176.9	0	0	0	108.9	F15	F15-L57 HydrophobicContact CE1-CD1 4.34Å; F15-L57 HydrophobicContact CE1-CD2 4.47Å
58	L	88	Confident	88.7	Confident	11 Å²	11	72.8 Å²	72.8	6%	0.058	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	153.2	-176.9	-73.1	-175.8	0	0	0	112.6	K33 V34 V36 V60 V69 L73 R76	K33-L58 WeakPolarHBondContact CA-O 3.35Å; V34-L58 HydrophobicContact CG2-CB 4.1Å; V34-L58 PolarHBondContact N-O 2.95Å; V34-L58 PolarHBondContact O-N 3.43Å; V36-L58 HydrophobicContact CG2-CD1 3.9Å; V36-L58 HydrophobicContact CG2-CG 4.46Å; L58-V60 HydrophobicContact CB-CG2 4.3Å; L58-V69 HydrophobicContact CD1-CG1 3.89Å; L58-L73 HydrophobicContact CD1-CD1 3.76Å; L58-L73 HydrophobicContact CD1-CD2 3.6Å; L58-L73 HydrophobicContact CD1-CG 3.67Å; L58-L73 HydrophobicContact CD2-CD2 4.4Å; L58-L73 HydrophobicContact CG-CD2 4.14Å; L58-R76 VanDerWaalsContact CD2-CZ 3.48Å
59	Q	87.5	Confident	88.8	Confident	138 Å²	138	72 Å²	72	65%	0.645	37%	0.365	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.2	99.2	162.8	-73	-175.5	30.8	0	0	107.4	V31 L32 K33 N61	V31-Q59 HydrophobicContact CG1-CB 3.67Å; V31-Q59 HydrophobicContact CG1-CG 4.25Å; L32-Q59 CarbonylContact O-C 3.56Å; L32-Q59 WeakPolarHBondContact O-CA 3.39Å; K33-Q59 HydrophobicContact CG-CG 4.15Å; Q59-N61 PolarHBondContact O-N 2.97Å
60	V	86.6	Confident	89	Confident	2 Å²	2	68.6 Å²	68.6	1%	0.012	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	110	179	174.8	0	0	0	0	108.5	V31 L32 V34 L58 V69	V31-V60 WeakPolarHBondContact CA-O 3.35Å; L32-V60 PolarHBondContact N-O 3.04Å; L32-V60 PolarHBondContact O-N 3.3Å; V34-V60 HydrophobicContact CG2-CG2 3.6Å; L58-V60 HydrophobicContact CB-CG2 4.3Å; V60-V69 HydrophobicContact CG2-CG1 4.1Å
61	N	87.6	Confident	89.3	Confident	52 Å²	52	70.1 Å²	70.1	28%	0.278	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	122	170.4	-178.2	-9.1	0	0	0	109.5	S30 V31 Q59 H63 E64 R102	S30-N61 CarbonylContact O-C 3.56Å; V31-N61 HydrophobicContact CG2-CB 4.37Å; Q59-N61 PolarHBondContact O-N 2.97Å; N61-H63 PolarHBondContact O-N 3.31Å; N61-H63 WeakPolarHBondContact OD1-CB 3.38Å; N61-H63 PolarHBondContact OD1-N 2.9Å; N61-E64 HydrophobicContact CB-CB 3.9Å; N61-E64 WeakPolarHBondContact O-CB 3.42Å; N61-E64 PolarHBondContact O-N 3.05Å; N61-R102 PolarHBondContact O-NH2 2.94Å
62	Q	85.8	Confident	89.7	Confident	17 Å²	17	65.9 Å²	65.9	8%	0.079	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-11	179.9	-71.7	-70	8.2	0	0	114	S30 L32 R102	S30-Q62 WeakPolarHBondContact O-CB 3.2Å; S30-Q62 PolarHBondContact O-N 3.48Å; L32-Q62 HydrophobicContact CD1-CG 4.39Å; L32-Q62 HydrophobicContact CG-CG 4.39Å; Q62-R102 PolarHBondContact NE2-O 3.49Å; Q62-R102 PolarHBondContact O-NH2 2.86Å
63	H	86.1	Confident	90.2	Very high	150 Å²	150	58.1 Å²	58.1	69%	0.694	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.8	-10.3	172.2	-54.5	-60.5	0	0	0	113.7	S30 N61	S30-H63 WeakPolarHBondContact CB-NE2 3.33Å; N61-H63 PolarHBondContact O-N 3.31Å; N61-H63 WeakPolarHBondContact OD1-CB 3.38Å; N61-H63 PolarHBondContact OD1-N 2.9Å
64	E	89.3	Confident	90.5	Very high	66 Å²	66	55.1 Å²	55.1	31%	0.308	28%	0.282	S	S	.	.	S	Bend	trans	-88.3	131.6	178.2	-177.5	177.5	-176.1	0	0	110.1	N61 L66 T68 R102	N61-E64 HydrophobicContact CB-CB 3.9Å; N61-E64 WeakPolarHBondContact O-CB 3.42Å; N61-E64 PolarHBondContact O-N 3.05Å; E64-L66 PolarHBondContact O-N 2.76Å; E64-T68 HydrophobicContact CG-CG2 4.38Å; E64-T68 WeakPolarHBondContact OE1-CB 3.38Å; E64-T68 WeakPolarHBondContact OE1-CG2 3.47Å; E64-R102 VanDerWaalsContact O-CZ 3.22Å; E64-R102 PolarHBondContact O-NH1 2.9Å; E64-R102 PolarHBondContact O-NH2 2.86Å
65	P	92.5	Very high	90.7	Very high	70 Å²	70	53.1 Å²	53.1	46%	0.455	28%	0.278	S	S	.	.			trans	-54.9	136.9	177.2	-25.8	34.7	0	0	0	112.2	E67 T68	P65-E67 PolarHBondContact O-N 3.18Å; P65-E67 VanDerWaalsContact O-N 3.14Å; P65-T68 WeakPolarHBondContact O-CB 3.4Å; P65-T68 PolarHBondContact O-N 3.24Å; P65-T68 PolarHBondContact O-OG1 3.06Å
66	L	92.1	Very high	90.8	Very high	14 Å²	14	56.5 Å²	56.5	7%	0.073	29%	0.287	C	S	.	.	H	α-helix	trans	-57.4	-31	178.6	-69.4	173.1	0	0	0	111.9	E64 T68 V69 T70 I97 E99 R102	E64-L66 PolarHBondContact O-N 2.76Å; L66-T68 VanDerWaalsContact C-N 3.26Å; L66-T68 PolarHBondContact O-N 2.95Å; L66-V69 WeakPolarHBondContact O-CB 3.14Å; L66-V69 PolarHBondContact O-N 2.88Å; L66-T70 PolarHBondContact O-N 3.33Å; L66-T70 PolarHBondContact O-OG1 3.19Å; L66-T70 VanDerWaalsContact O-OG1 3.1Å; L66-I97 HydrophobicContact CD1-CG2 3.93Å; L66-I97 HydrophobicContact CD2-CG2 4.24Å; L66-E99 WeakPolarHBondContact CB-OE1 3.46Å; L66-E99 HydrophobicContact CD1-CG 4.49Å; L66-E99 WeakPolarHBondContact CG-OE1 3.44Å; L66-E99 PolarHBondContact N-OE1 2.91Å; L66-R102 HydrophobicContact CD1-CB 4.3Å; L66-R102 HydrophobicContact CD2-CB 4.42Å
67	E	92.3	Very high	90.8	Very high	98 Å²	98	54.8 Å²	54.8	46%	0.458	28%	0.278	S	S	.	.	H	α-helix	trans	-56.7	-37.8	174.6	-167	-170.2	152.1	0	0	112.5	P65 K71 H83	P65-E67 PolarHBondContact O-N 3.18Å; P65-E67 VanDerWaalsContact O-N 3.14Å; E67-K71 HydrophobicContact CG-CD 4.4Å; E67-K71 WeakPolarHBondContact O-CB 3.39Å; E67-K71 VanDerWaalsContact O-CG 3.28Å; E67-K71 WeakPolarHBondContact O-CG 3.45Å; E67-K71 PolarHBondContact O-N 3.47Å; E67-K71 WeakPolarHBondContact OE1-CE 3.49Å; E67-K71 IonicContact OE1-NZ 2.59Å; E67-K71 PolarHBondContact OE1-NZ 3.44Å; E67-H83 IonicContact OE1-CE1 3.19Å; E67-H83 PolarHBondContact OE1-CE1 3.14Å; E67-H83 IonicContact OE1-ND1 3.89Å
68	T	92.5	Very high	90.9	Very high	63 Å²	63	58 Å²	58	39%	0.387	29%	0.29	S	S	.	.	H	α-helix	trans	-69.3	-42.3	177.5	-42.3	0	0	0	0	110.9	E64 P65 L66 K71 D72	E64-T68 HydrophobicContact CG-CG2 4.38Å; E64-T68 WeakPolarHBondContact OE1-CB 3.38Å; E64-T68 WeakPolarHBondContact OE1-CG2 3.47Å; P65-T68 WeakPolarHBondContact O-CB 3.4Å; P65-T68 PolarHBondContact O-N 3.24Å; P65-T68 PolarHBondContact O-OG1 3.06Å; L66-T68 VanDerWaalsContact C-N 3.26Å; L66-T68 PolarHBondContact O-N 2.95Å; T68-K71 PolarHBondContact O-N 2.77Å; T68-D72 PolarHBondContact O-N 3.44Å
69	V	91.7	Very high	91.1	Very high	7 Å²	7	58.2 Å²	58.2	4%	0.042	29%	0.291	C	S	.	.	H	α-helix	trans	-62.3	-44	176.1	-176	0	0	0	0	111	L58 V60 L66 D72 L73 L87	L58-V69 HydrophobicContact CD1-CG1 3.89Å; V60-V69 HydrophobicContact CG2-CG1 4.1Å; L66-V69 WeakPolarHBondContact O-CB 3.14Å; L66-V69 PolarHBondContact O-N 2.88Å; V69-D72 PolarHBondContact O-N 2.76Å; V69-L73 HydrophobicContact CG1-CD1 4.45Å; V69-L73 WeakPolarHBondContact O-CG 3.49Å; V69-L73 PolarHBondContact O-N 3.5Å; V69-L87 HydrophobicContact CG1-CD1 4.36Å
70	T	93.3	Very high	91.2	Very high	12 Å²	12	58.2 Å²	58.2	7%	0.074	30%	0.296	C	S	.	.	H	α-helix	trans	-63.3	-41.7	174.7	-59.3	0	0	0	0	111.4	L66 L73 C74 P82 F85 L113	L66-T70 PolarHBondContact O-N 3.33Å; L66-T70 PolarHBondContact O-OG1 3.19Å; L66-T70 VanDerWaalsContact O-OG1 3.1Å; T70-L73 PolarHBondContact O-N 2.93Å; T70-C74 WeakPolarHBondContact O-CB 3.31Å; T70-C74 PolarHBondContact O-N 2.95Å; T70-C74 PolarHBondContact O-SG 2.96Å; T70-P82 WeakPolarHBondContact CG2-O 3.49Å; T70-F85 HydrophobicContact CG2-CB 3.99Å; T70-L113 HydrophobicContact CG2-CD1 4.15Å
71	K	93.7	Very high	91.5	Very high	78 Å²	78	63.1 Å²	63.1	34%	0.339	32%	0.322	S	S	.	.	H	α-helix	trans	-62.3	-41.9	176.1	-79.4	171.1	-179.1	175.3	0	113.1	E67 T68 S75 P82	E67-K71 HydrophobicContact CG-CD 4.4Å; E67-K71 WeakPolarHBondContact O-CB 3.39Å; E67-K71 VanDerWaalsContact O-CG 3.28Å; E67-K71 WeakPolarHBondContact O-CG 3.45Å; E67-K71 PolarHBondContact O-N 3.47Å; E67-K71 WeakPolarHBondContact OE1-CE 3.49Å; E67-K71 IonicContact OE1-NZ 2.59Å; E67-K71 PolarHBondContact OE1-NZ 3.44Å; T68-K71 PolarHBondContact O-N 2.77Å; K71-S75 WeakPolarHBondContact O-CB 3.13Å; K71-S75 PolarHBondContact O-N 2.96Å; K71-S75 PolarHBondContact O-OG 3.12Å; K71-P82 HydrophobicContact CB-CB 4.37Å; K71-P82 HydrophobicContact CG-CB 3.59Å; K71-P82 HydrophobicContact CG-CG 4.05Å
72	D	92.8	Very high	91.7	Very high	64 Å²	64	62.2 Å²	62.2	34%	0.342	32%	0.319	S	S	.	.	H	α-helix	trans	-62.6	-49.1	173.3	177.1	36.6	0	0	0	111.2	T68 V69 C74 S75 R76	T68-D72 PolarHBondContact O-N 3.44Å; V69-D72 PolarHBondContact O-N 2.76Å; D72-C74 PolarHBondContact O-N 2.72Å; D72-S75 WeakPolarHBondContact O-CB 3.43Å; D72-S75 PolarHBondContact O-N 2.59Å; D72-S75 VanDerWaalsContact O-N 3.12Å; D72-R76 VanDerWaalsContact CG-NE 3.29Å; D72-R76 WeakPolarHBondContact O-CG 3.44Å; D72-R76 PolarHBondContact O-N 3.26Å; D72-R76 IonicContact OD1-CZ 3.77Å; D72-R76 IonicContact OD1-NE 2.95Å; D72-R76 PolarHBondContact OD1-NE 2.87Å; D72-R76 IonicContact OD1-NH2 3.67Å; D72-R76 IonicContact OD2-CZ 3.2Å; D72-R76 IonicContact OD2-NE 3.02Å; D72-R76 PolarHBondContact OD2-NE 2.81Å; D72-R76 IonicContact OD2-NH2 2.69Å; D72-R76 PolarHBondContact OD2-NH2 2.91Å
73	L	93	Very high	92	Very high	0 Å²	0	67.3 Å²	67.3	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-57.3	-47.9	176.6	-79.5	170.5	0	0	0	113.7	V36 Q56 L58 V69 T70 S75 R76 W77 L87 L113	V36-L73 HydrophobicContact CB-CD1 4.41Å; V36-L73 HydrophobicContact CB-CD2 4.23Å; V36-L73 HydrophobicContact CG1-CD1 4.04Å; V36-L73 HydrophobicContact CG1-CD2 4.46Å; V36-L73 HydrophobicContact CG2-CD1 4.22Å; V36-L73 HydrophobicContact CG2-CD2 4.46Å; Q56-L73 HydrophobicContact CB-CD2 3.99Å; Q56-L73 HydrophobicContact CG-CD2 4.24Å; L58-L73 HydrophobicContact CD1-CD1 3.76Å; L58-L73 HydrophobicContact CD1-CD2 3.6Å; L58-L73 HydrophobicContact CD1-CG 3.67Å; L58-L73 HydrophobicContact CD2-CD2 4.4Å; L58-L73 HydrophobicContact CG-CD2 4.14Å; V69-L73 HydrophobicContact CG1-CD1 4.45Å; V69-L73 WeakPolarHBondContact O-CG 3.49Å; V69-L73 PolarHBondContact O-N 3.5Å; T70-L73 PolarHBondContact O-N 2.93Å; L73-S75 VanDerWaalsContact C-N 3.27Å; L73-S75 PolarHBondContact O-N 3.49Å; L73-R76 PolarHBondContact O-N 2.81Å; L73-W77 HydrophobicContact CB-CE3 4.34Å; L73-W77 HydrophobicContact CB-CZ3 4.28Å; L73-W77 HydrophobicContact CD2-CE3 4.28Å; L73-W77 HydrophobicContact CD2-CH2 4.14Å; L73-W77 HydrophobicContact CD2-CZ3 3.76Å; L73-W77 HydrophobicContact CG-CZ3 4.48Å; L73-W77 PolarHBondContact O-N 2.95Å; L73-W77 VanDerWaalsContact O-N 3.15Å; L73-L87 HydrophobicContact CD1-CD2 3.75Å; L73-L113 HydrophobicContact CB-CD2 4.35Å; L73-L113 HydrophobicContact CD1-CD1 4.34Å
74	C	93.5	Very high	92.4	Very high	0 Å²	0	61.9 Å²	61.9	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-60.2	-40.6	176.7	-71.2	0	0	0	0	110.9	T70 D72 W77 E78 L79 P82 F85	T70-C74 WeakPolarHBondContact O-CB 3.31Å; T70-C74 PolarHBondContact O-N 2.95Å; T70-C74 PolarHBondContact O-SG 2.96Å; D72-C74 PolarHBondContact O-N 2.72Å; C74-W77 CarbonylContact O-C 3.47Å; C74-W77 PolarHBondContact O-N 3.09Å; C74-E78 PolarHBondContact O-N 2.99Å; C74-L79 HydrophobicContact CB-CB 3.98Å; C74-L79 PolarHBondContact O-N 2.9Å; C74-P82 HydrophobicContact CB-CB 4.04Å; C74-P82 HydrophobicContact CB-CG 3.98Å; C74-F85 VanDerWaalsContact SG-CD2 3.53Å
75	S	93	Very high	92.7	Very high	86 Å²	86	59.6 Å²	59.6	60%	0.601	31%	0.308	S	S	*	.	H	α-helix	trans	-63.2	-42.7	176.4	-56	0	0	0	0	112.3	K71 D72 L73 W77 E78	K71-S75 WeakPolarHBondContact O-CB 3.13Å; K71-S75 PolarHBondContact O-N 2.96Å; K71-S75 PolarHBondContact O-OG 3.12Å; D72-S75 WeakPolarHBondContact O-CB 3.43Å; D72-S75 PolarHBondContact O-N 2.59Å; D72-S75 VanDerWaalsContact O-N 3.12Å; L73-S75 VanDerWaalsContact C-N 3.27Å; L73-S75 PolarHBondContact O-N 3.49Å; S75-W77 VanDerWaalsContact C-N 3.29Å; S75-W77 PolarHBondContact O-N 2.9Å; S75-E78 PolarHBondContact O-N 2.98Å
76	R	92.5	Very high	92.9	Very high	109 Å²	109	56.9 Å²	56.9	41%	0.411	29%	0.291	S	S	.	.	H	α-helix	trans	-66.3	-26.1	178.5	-68.4	173.9	-172.6	-147.4	11.7	114.4	L58 D72 L73	L58-R76 VanDerWaalsContact CD2-CZ 3.48Å; D72-R76 VanDerWaalsContact CG-NE 3.29Å; D72-R76 WeakPolarHBondContact O-CG 3.44Å; D72-R76 PolarHBondContact O-N 3.26Å; D72-R76 IonicContact OD1-CZ 3.77Å; D72-R76 IonicContact OD1-NE 2.95Å; D72-R76 PolarHBondContact OD1-NE 2.87Å; D72-R76 IonicContact OD1-NH2 3.67Å; D72-R76 IonicContact OD2-CZ 3.2Å; D72-R76 IonicContact OD2-NE 3.02Å; D72-R76 PolarHBondContact OD2-NE 2.81Å; D72-R76 IonicContact OD2-NH2 2.69Å; D72-R76 PolarHBondContact OD2-NH2 2.91Å; L73-R76 PolarHBondContact O-N 2.81Å
77	W	93	Very high	93	Very high	10 Å²	10	56.5 Å²	56.5	4%	0.038	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.9	12.6	177.5	-75.6	-46.3	0	0	0	113.4	V36 L38 K53 L54 Q56 L73 C74 S75 L79 L113	V36-W77 HydrophobicContact CB-CH2 4.15Å; V36-W77 HydrophobicContact CG1-CH2 3.94Å; V36-W77 HydrophobicContact CG1-CZ3 4.26Å; V36-W77 WeakPolarHBondContact O-CH2 3.49Å; V36-W77 WeakPolarHBondContact O-CZ2 3.4Å; L38-W77 HydrophobicContact CD1-CD2 4.06Å; L38-W77 HydrophobicContact CD1-CG 4.1Å; L38-W77 HydrophobicContact CD2-CD2 3.78Å; L38-W77 HydrophobicContact CD2-CE3 3.42Å; L38-W77 VanDerWaalsContact CD2-CE3 3.42Å; L38-W77 HydrophobicContact CD2-CG 4.42Å; L38-W77 HydrophobicContact CD2-CH2 4.11Å; L38-W77 HydrophobicContact CD2-CZ2 4.44Å; L38-W77 HydrophobicContact CD2-CZ3 3.59Å; L38-W77 HydrophobicContact CG-CD2 3.85Å; L38-W77 HydrophobicContact CG-CE3 3.94Å; L38-W77 HydrophobicContact CG-CG 4.42Å; L38-W77 HydrophobicContact CG-CH2 4.04Å; L38-W77 HydrophobicContact CG-CZ2 3.97Å; L38-W77 HydrophobicContact CG-CZ3 4.03Å; K53-W77 HydrophobicContact CD-CB 4.35Å; K53-W77 PolarHBondContact NZ-O 2.72Å; L54-W77 PolarHBondContact O-NE1 3.34Å; Q56-W77 HydrophobicContact CB-CH2 4.38Å; Q56-W77 HydrophobicContact CB-CZ2 4.09Å; Q56-W77 HydrophobicContact CG-CD2 4.28Å; Q56-W77 HydrophobicContact CG-CH2 4.14Å; Q56-W77 HydrophobicContact CG-CZ2 3.54Å; L73-W77 HydrophobicContact CB-CE3 4.34Å; L73-W77 HydrophobicContact CB-CZ3 4.28Å; L73-W77 HydrophobicContact CD2-CE3 4.28Å; L73-W77 HydrophobicContact CD2-CH2 4.14Å; L73-W77 HydrophobicContact CD2-CZ3 3.76Å; L73-W77 HydrophobicContact CG-CZ3 4.48Å; L73-W77 PolarHBondContact O-N 2.95Å; L73-W77 VanDerWaalsContact O-N 3.15Å; C74-W77 CarbonylContact O-C 3.47Å; C74-W77 PolarHBondContact O-N 3.09Å; S75-W77 VanDerWaalsContact C-N 3.29Å; S75-W77 PolarHBondContact O-N 2.9Å; W77-L79 HydrophobicContact CB-CD1 4.21Å; W77-L79 HydrophobicContact CB-CG 3.98Å; W77-L79 PolarHBondContact O-N 2.7Å; W77-L113 HydrophobicContact CE3-CD2 3.74Å; W77-L113 HydrophobicContact CZ3-CB 3.8Å; W77-L113 HydrophobicContact CZ3-CD2 3.68Å; W77-L113 HydrophobicContact CZ3-CG 4.36Å
78	E	91.7	Very high	93	Very high	172 Å²	172	52 Å²	52	80%	0.804	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.5	40.1	179.3	-57.5	179	179.2	0	0	112.9	C74 S75	C74-E78 PolarHBondContact O-N 2.99Å; S75-E78 PolarHBondContact O-N 2.98Å
79	L	91.8	Very high	92.8	Very high	15 Å²	15	49.6 Å²	49.6	8%	0.079	25%	0.252	C	S	.	.			trans	-93.3	121.3	177.8	-58.1	179.7	0	0	0	110.6	L38 I48 C74 W77 F85 L113	L38-L79 HydrophobicContact CD2-CD1 3.96Å; I48-L79 HydrophobicContact CD1-CD2 4.19Å; I48-L79 HydrophobicContact CG2-CD2 3.81Å; C74-L79 HydrophobicContact CB-CB 3.98Å; C74-L79 PolarHBondContact O-N 2.9Å; W77-L79 HydrophobicContact CB-CD1 4.21Å; W77-L79 HydrophobicContact CB-CG 3.98Å; W77-L79 PolarHBondContact O-N 2.7Å; L79-F85 HydrophobicContact CB-CE2 4.12Å; L79-F85 HydrophobicContact CB-CZ 4.14Å; L79-F85 HydrophobicContact CD1-CD1 4.41Å; L79-F85 HydrophobicContact CD1-CE1 3.94Å; L79-F85 HydrophobicContact CD1-CE2 4.44Å; L79-F85 HydrophobicContact CD1-CZ 3.96Å; L79-F85 HydrophobicContact CG-CZ 4.45Å; L79-L113 HydrophobicContact CD1-CD2 3.8Å
80	N	90.4	Very high	92.4	Very high	137 Å²	137	51.5 Å²	51.5	73%	0.733	26%	0.264	S	S	*	.	S	Bend	trans	-71.9	158.9	172.5	-62.8	-51.8	0	0	0	111.2	F85	N80-F85 WeakPolarHBondContact O-CE2 3.37Å
81	N	92.2	Very high	91.4	Very high	105 Å²	105	58.5 Å²	58.5	56%	0.561	30%	0.296	S	S	*	.			trans	52.9	70.8	178.8	-54.6	-22.6	0	0	0	114.4	H83 D84	N81-H83 PolarHBondContact O-N 3.26Å; N81-D84 HydrophobicContact CB-CB 4.35Å; N81-D84 WeakPolarHBondContact O-CB 3.38Å; N81-D84 PolarHBondContact O-N 3.28Å
82	P	91.9	Very high	90.1	Very high	34 Å²	34	59.2 Å²	59.2	22%	0.221	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-56	-22	-178.4	-27.9	36.4	0	0	0	116	T70 K71 C74 D84 F85	T70-P82 WeakPolarHBondContact CG2-O 3.49Å; K71-P82 HydrophobicContact CB-CB 4.37Å; K71-P82 HydrophobicContact CG-CB 3.59Å; K71-P82 HydrophobicContact CG-CG 4.05Å; C74-P82 HydrophobicContact CB-CB 4.04Å; C74-P82 HydrophobicContact CB-CG 3.98Å; P82-D84 VanDerWaalsContact C-N 3.28Å; P82-D84 PolarHBondContact O-N 3.1Å; P82-F85 PolarHBondContact O-N 2.72Å
83	H	92.7	Very high	89.2	Confident	123 Å²	123	57.2 Å²	57.2	57%	0.569	29%	0.287	S	S	*	.	G	3₁₀ helix	trans	-71.5	-17.1	175.7	-58.1	-81.2	0	0	0	113.9	E67 N81 F85 S116	E67-H83 IonicContact OE1-CE1 3.19Å; E67-H83 PolarHBondContact OE1-CE1 3.14Å; E67-H83 IonicContact OE1-ND1 3.89Å; N81-H83 PolarHBondContact O-N 3.26Å; H83-F85 PolarHBondContact O-N 3.35Å; H83-S116 PolarHBondContact O-OG 3.19Å
84	D	95	Very high	88.6	Confident	37 Å²	37	59.5 Å²	59.5	20%	0.198	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-75.7	-0.8	174	-78.2	-20.8	0	0	0	112.5	N81 P82 L115 S116 K119	N81-D84 HydrophobicContact CB-CB 4.35Å; N81-D84 WeakPolarHBondContact O-CB 3.38Å; N81-D84 PolarHBondContact O-N 3.28Å; P82-D84 VanDerWaalsContact C-N 3.28Å; P82-D84 PolarHBondContact O-N 3.1Å; D84-L115 CarbonylContact O-C 3.55Å; D84-L115 VanDerWaalsContact O-CA 3.3Å; D84-L115 WeakPolarHBondContact O-CA 3.29Å; D84-S116 PolarHBondContact O-N 2.92Å; D84-S116 PolarHBondContact O-OG 3.45Å; D84-K119 HydrophobicContact CB-CB 4.47Å; D84-K119 HydrophobicContact CB-CG 4.07Å; D84-K119 WeakPolarHBondContact OD1-CD 3.27Å; D84-K119 IonicContact OD1-NZ 2.75Å; D84-K119 PolarHBondContact OD1-NZ 3.34Å; D84-K119 IonicContact OD2-NZ 3.21Å; D84-K119 PolarHBondContact OD2-NZ 3.4Å
85	F	96.1	Very high	88.4	Confident	17 Å²	17	61.6 Å²	61.6	8%	0.075	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	153.1	-173.6	-58.6	-88	0	0	0	113.5	L42 I48 T70 C74 L79 N80 P82 H83 L113 T114 L115	L42-F85 HydrophobicContact CD1-CE1 4.29Å; L42-F85 HydrophobicContact CD2-CD1 4.4Å; L42-F85 HydrophobicContact CD2-CE1 4.06Å; I48-F85 HydrophobicContact CD1-CE1 3.67Å; I48-F85 HydrophobicContact CD1-CZ 3.66Å; T70-F85 HydrophobicContact CG2-CB 3.99Å; C74-F85 VanDerWaalsContact SG-CD2 3.53Å; L79-F85 HydrophobicContact CB-CE2 4.12Å; L79-F85 HydrophobicContact CB-CZ 4.14Å; L79-F85 HydrophobicContact CD1-CD1 4.41Å; L79-F85 HydrophobicContact CD1-CE1 3.94Å; L79-F85 HydrophobicContact CD1-CE2 4.44Å; L79-F85 HydrophobicContact CD1-CZ 3.96Å; L79-F85 HydrophobicContact CG-CZ 4.45Å; N80-F85 WeakPolarHBondContact O-CE2 3.37Å; P82-F85 PolarHBondContact O-N 2.72Å; H83-F85 PolarHBondContact O-N 3.35Å; F85-L113 HydrophobicContact CB-CD1 3.94Å; F85-L113 HydrophobicContact CB-CG 4.23Å; F85-L113 HydrophobicContact CD1-CD2 4.3Å; F85-L113 HydrophobicContact CD1-CG 4.29Å; F85-L113 HydrophobicContact CG-CD2 4.5Å; F85-T114 CarbonylContact C-O 3.57Å; F85-T114 VanDerWaalsContact CA-O 3.25Å; F85-T114 WeakPolarHBondContact CA-O 3.49Å; F85-L115 HydrophobicContact CD1-CD2 4.39Å; F85-L115 HydrophobicContact CE1-CD2 4.13Å
86	A	95.5	Very high	88.4	Confident	13 Å²	13	57.6 Å²	57.6	11%	0.107	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	164.1	172.1	0	0	0	0	0	111.1	Y96 T114	A86-Y96 HydrophobicContact CB-CD1 3.86Å; A86-Y96 HydrophobicContact CB-CE1 3.97Å; A86-T114 PolarHBondContact N-O 3.3Å; A86-T114 PolarHBondContact O-N 3.15Å; A86-T114 VanDerWaalsContact O-O 3.13Å
87	L	94.1	Very high	88.4	Confident	6 Å²	6	52.8 Å²	52.8	3%	0.031	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	144.3	174.6	-67.4	174.2	0	0	0	110.9	V36 V69 L73 I97 L111 L112 L113	V36-L87 HydrophobicContact CG1-CD2 3.83Å; V69-L87 HydrophobicContact CG1-CD1 4.36Å; L73-L87 HydrophobicContact CD1-CD2 3.75Å; L87-I97 HydrophobicContact CB-CB 4.08Å; L87-I97 HydrophobicContact CB-CD1 3.93Å; L87-I97 PolarHBondContact O-N 2.8Å; L87-L111 HydrophobicContact CD1-CD1 4.37Å; L87-L112 CarbonylContact C-O 3.57Å; L87-L112 WeakPolarHBondContact CA-O 3.28Å; L87-L113 HydrophobicContact CD2-CB 4.48Å; L87-L113 HydrophobicContact CD2-CD1 4.03Å
88	Q	92.3	Very high	88.3	Confident	4 Å²	4	53.6 Å²	53.6	2%	0.019	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	146.9	178.9	-164.9	-174.6	19.7	0	0	110.3	T94 H95 L111 L112 T114	Q88-T94 PolarHBondContact NE2-O 3.19Å; Q88-H95 VanDerWaalsContact CG-O 3.25Å; Q88-H95 WeakPolarHBondContact CG-O 3.4Å; Q88-L111 WeakPolarHBondContact O-CA 3.36Å; Q88-L112 HydrophobicContact CB-CB 4.43Å; Q88-L112 PolarHBondContact N-O 3.38Å; Q88-L112 PolarHBondContact O-N 3.21Å; Q88-T114 HydrophobicContact CB-CG2 3.76Å
89	F	88.9	Confident	88.2	Confident	12 Å²	12	49.9 Å²	49.9	5%	0.053	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	156.5	169.4	-71.8	-78.3	0	0	0	111.7	S93 H95 I97 D104 L105 L111	F89-S93 CarbonylContact C-O 3.55Å; F89-S93 WeakPolarHBondContact CB-O 3.47Å; F89-S93 VanDerWaalsContact O-O 3.08Å; F89-H95 PolarHBondContact N-O 3.34Å; F89-I97 HydrophobicContact CD1-CD1 4.41Å; F89-I97 HydrophobicContact CD2-CD1 4.2Å; F89-I97 HydrophobicContact CD2-CG1 3.66Å; F89-I97 HydrophobicContact CE1-CD1 4.42Å; F89-I97 HydrophobicContact CE1-CG1 4.5Å; F89-I97 HydrophobicContact CE2-CD1 4.2Å; F89-I97 HydrophobicContact CE2-CG1 3.47Å; F89-I97 VanDerWaalsContact CE2-CG1 3.47Å; F89-I97 HydrophobicContact CG-CD1 4.31Å; F89-I97 HydrophobicContact CG-CG1 4.27Å; F89-I97 HydrophobicContact CZ-CD1 4.31Å; F89-I97 HydrophobicContact CZ-CG1 3.92Å; F89-D104 HydrophobicContact CZ-CB 4.06Å; F89-L105 HydrophobicContact CE1-CD2 3.74Å; F89-L105 HydrophobicContact CE1-CG 4.42Å; F89-L105 HydrophobicContact CZ-CD2 4.08Å; F89-L105 HydrophobicContact CZ-CG 4.36Å; F89-L111 HydrophobicContact CD1-CD2 4.24Å
90	T	83.6	Confident	87.9	Confident	47 Å²	47	60.3 Å²	60.3	29%	0.288	29%	0.294	S	S	.	.	S	Bend	trans	-105.1	-80.9	174.8	54.1	0	0	0	0	112.7	V110 L112	T90-V110 WeakPolarHBondContact CB-O 3.4Å; T90-V110 HydrophobicContact CG2-CG1 4.49Å; T90-V110 VanDerWaalsContact CG2-O 3.28Å; T90-V110 WeakPolarHBondContact CG2-O 3.43Å; T90-V110 PolarHBondContact OG1-O 3.02Å; T90-L112 HydrophobicContact CG2-CD1 4.11Å; T90-L112 HydrophobicContact CG2-CD2 4.1Å; T90-L112 HydrophobicContact CG2-CG 3.61Å
91	Q	71.1	Confident	87.8	Confident	159 Å²	159	55.3 Å²	55.3	74%	0.743	27%	0.267	S	S	*	.	S	Bend	trans	-84.8	-25.7	-165.4	-61.1	178.6	12.9	0	0	113
92	R	67.7	Low	87.5	Confident	93 Å²	93	50.5 Å²	50.5	35%	0.351	24%	0.241	S	C	.	.	S	Bend	trans	-87.6	-33.2	-177.1	-68.5	179.9	62.6	-153.9	-3.1	112.9	D104 D109	R92-D104 PolarHBondContact NH1-O 3.26Å; R92-D109 WeakPolarHBondContact CD-OD1 3.28Å; R92-D109 IonicContact NH1-OD1 2.7Å; R92-D109 IonicContact NH1-OD2 3.49Å; R92-D109 PolarHBondContact NH1-OD2 2.89Å
93	S	74	Confident	87.2	Confident	22 Å²	22	54.2 Å²	54.2	15%	0.154	25%	0.254	C	S	.	.			trans	-163.1	157.8	-176.9	-177.3	0	0	0	0	109.2	F89 H95	F89-S93 CarbonylContact C-O 3.55Å; F89-S93 WeakPolarHBondContact CB-O 3.47Å; F89-S93 VanDerWaalsContact O-O 3.08Å; S93-H95 VanDerWaalsContact C-N 3.28Å; S93-H95 WeakPolarHBondContact OG-CB 3.49Å; S93-H95 PolarHBondContact OG-CD2 3.42Å; S93-H95 PolarHBondContact OG-N 2.74Å
94	T	78.9	Confident	86.7	Confident	49 Å²	49	52.1 Å²	52.1	30%	0.301	25%	0.247	S	C	.	.	S	Bend	trans	-93.5	16.2	166.8	58.4	0	0	0	0	111.9	Q88 V145	Q88-T94 PolarHBondContact NE2-O 3.19Å; T94-V145 HydrophobicContact CG2-CG1 4.2Å
95	H	89.3	Confident	86.2	Confident	44 Å²	44	50.4 Å²	50.4	20%	0.204	24%	0.238	C	C	.	.	P	Polyproline II helix	trans	-81.8	150.4	-175.6	-66.3	-177.4	0	0	0	112.8	Q88 F89 S93 S148 D149	Q88-H95 VanDerWaalsContact CG-O 3.25Å; Q88-H95 WeakPolarHBondContact CG-O 3.4Å; F89-H95 PolarHBondContact N-O 3.34Å; S93-H95 VanDerWaalsContact C-N 3.28Å; S93-H95 WeakPolarHBondContact OG-CB 3.49Å; S93-H95 PolarHBondContact OG-CD2 3.42Å; S93-H95 PolarHBondContact OG-N 2.74Å; H95-S148 PolarHBondContact NE2-O 2.97Å; H95-D149 WeakPolarHBondContact CA-OD2 3.26Å; H95-D149 WeakPolarHBondContact CB-OD2 3.45Å; H95-D149 IonicContact CD2-OD2 3.81Å; H95-D149 IonicContact CG-OD2 2.66Å
96	Y	93.4	Very high	85.5	Confident	1 Å²	1	53.4 Å²	53.4	0%	0.004	25%	0.253	C	S	.	.	B	Isolated β-bridge	trans	-68	151.1	168.7	-79.6	-84.9	0	0	0	111.2	A86 N101 T114 L115 P117 L120 D149 F152	A86-Y96 HydrophobicContact CB-CD1 3.86Å; A86-Y96 HydrophobicContact CB-CE1 3.97Å; Y96-N101 PolarHBondContact O-ND2 2.61Å; Y96-T114 HydrophobicContact CD1-CG2 4.41Å; Y96-T114 HydrophobicContact CE1-CG2 3.63Å; Y96-L115 VanDerWaalsContact CE1-O 3.26Å; Y96-L115 WeakPolarHBondContact CE1-O 3.36Å; Y96-L115 PolarHBondContact OH-O 2.88Å; Y96-P117 HydrophobicContact CD1-CG 3.79Å; Y96-P117 HydrophobicContact CD2-CG 3.91Å; Y96-P117 HydrophobicContact CE1-CG 3.83Å; Y96-P117 HydrophobicContact CE2-CG 3.98Å; Y96-P117 HydrophobicContact CG-CG 3.81Å; Y96-L120 WeakPolarHBondContact OH-CD2 3.46Å; Y96-D149 WeakPolarHBondContact CD2-OD1 3.28Å; Y96-D149 PolarHBondContact N-OD2 3.09Å; Y96-F152 HydrophobicContact CD2-CB 4.22Å; Y96-F152 HydrophobicContact CE2-CB 3.97Å
97	I	92	Very high	84.8	Confident	8 Å²	8	54.8 Å²	54.8	4%	0.041	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-99.1	121.3	174	-63.9	158	0	0	0	108.1	L66 L87 F89 R102 L105 L111	L66-I97 HydrophobicContact CD1-CG2 3.93Å; L66-I97 HydrophobicContact CD2-CG2 4.24Å; L87-I97 HydrophobicContact CB-CB 4.08Å; L87-I97 HydrophobicContact CB-CD1 3.93Å; L87-I97 PolarHBondContact O-N 2.8Å; F89-I97 HydrophobicContact CD1-CD1 4.41Å; F89-I97 HydrophobicContact CD2-CD1 4.2Å; F89-I97 HydrophobicContact CD2-CG1 3.66Å; F89-I97 HydrophobicContact CE1-CD1 4.42Å; F89-I97 HydrophobicContact CE1-CG1 4.5Å; F89-I97 HydrophobicContact CE2-CD1 4.2Å; F89-I97 HydrophobicContact CE2-CG1 3.47Å; F89-I97 VanDerWaalsContact CE2-CG1 3.47Å; F89-I97 HydrophobicContact CG-CD1 4.31Å; F89-I97 HydrophobicContact CG-CG1 4.27Å; F89-I97 HydrophobicContact CZ-CD1 4.31Å; F89-I97 HydrophobicContact CZ-CG1 3.92Å; I97-R102 HydrophobicContact CG2-CB 4.34Å; I97-L105 HydrophobicContact CD1-CD2 3.88Å; I97-L105 HydrophobicContact CG2-CD1 4.32Å; I97-L111 HydrophobicContact CD1-CD1 3.87Å; I97-L111 HydrophobicContact CD1-CD2 3.76Å; I97-L111 HydrophobicContact CD1-CG 4.3Å
98	S	90.9	Very high	84.3	Confident	27 Å²	27	55.6 Å²	55.6	19%	0.189	27%	0.268	C	S	.	.			trans	-124.8	167.2	-177.5	72.3	0	0	0	0	109.8	R100 N101 R102	S98-R100 PolarHBondContact O-N 3.36Å; S98-R100 PolarHBondContact OG-N 3Å; S98-N101 WeakPolarHBondContact CA-OD1 3.39Å; S98-N101 PolarHBondContact N-OD1 2.85Å; S98-N101 PolarHBondContact O-N 3.36Å; S98-N101 PolarHBondContact O-OD1 2.9Å; S98-N101 PolarHBondContact OG-N 3.29Å; S98-N101 PolarHBondContact OG-OD1 2.94Å; S98-R102 WeakPolarHBondContact O-CB 3.43Å; S98-R102 PolarHBondContact O-N 2.75Å
99	E	89.6	Confident	84	Confident	94 Å²	94	56.4 Å²	56.4	44%	0.439	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-17.1	173	-64.4	-63.3	165.4	0	0	113.6	L66 R102	L66-E99 WeakPolarHBondContact CB-OE1 3.46Å; L66-E99 HydrophobicContact CD1-CG 4.49Å; L66-E99 WeakPolarHBondContact CG-OE1 3.44Å; L66-E99 PolarHBondContact N-OE1 2.91Å; E99-R102 IonicContact OE1-NH1 3.35Å; E99-R102 PolarHBondContact OE1-NH1 3.02Å; E99-R102 WeakPolarHBondContact OE2-CD 3.3Å; E99-R102 IonicContact OE2-CZ 3.64Å; E99-R102 IonicContact OE2-NE 3.8Å; E99-R102 IonicContact OE2-NH1 2.72Å; E99-R102 PolarHBondContact OE2-NH1 2.83Å
100	R	87.1	Confident	84	Confident	235 Å²	235	57.4 Å²	57.4	89%	0.887	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-36.3	178.6	-60.6	-179.2	-179.1	172.6	1.6	113.4	S98	S98-R100 PolarHBondContact O-N 3.36Å; S98-R100 PolarHBondContact OG-N 3Å
101	N	87.5	Confident	84.4	Confident	31 Å²	31	55.1 Å²	55.1	17%	0.166	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.8	4.8	-174.4	68.6	-19.8	0	0	0	114	Y96 S98 F103 D104	Y96-N101 PolarHBondContact O-ND2 2.61Å; S98-N101 WeakPolarHBondContact CA-OD1 3.39Å; S98-N101 PolarHBondContact N-OD1 2.85Å; S98-N101 PolarHBondContact O-N 3.36Å; S98-N101 PolarHBondContact O-OD1 2.9Å; S98-N101 PolarHBondContact OG-N 3.29Å; S98-N101 PolarHBondContact OG-OD1 2.94Å; N101-F103 PolarHBondContact O-N 2.9Å; N101-D104 VanDerWaalsContact O-CB 3.28Å; N101-D104 WeakPolarHBondContact O-CB 3.48Å; N101-D104 PolarHBondContact O-N 3.32Å
102	R	86.8	Confident	85.4	Confident	4 Å²	4	49 Å²	49	2%	0.015	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-53.3	-25.5	170.5	65.4	-178.6	-64.1	160.2	7.7	114.1	N61 Q62 E64 L66 I97 S98 E99 D104 L105	N61-R102 PolarHBondContact O-NH2 2.94Å; Q62-R102 PolarHBondContact NE2-O 3.49Å; Q62-R102 PolarHBondContact O-NH2 2.86Å; E64-R102 VanDerWaalsContact O-CZ 3.22Å; E64-R102 PolarHBondContact O-NH1 2.9Å; E64-R102 PolarHBondContact O-NH2 2.86Å; L66-R102 HydrophobicContact CD1-CB 4.3Å; L66-R102 HydrophobicContact CD2-CB 4.42Å; I97-R102 HydrophobicContact CG2-CB 4.34Å; S98-R102 WeakPolarHBondContact O-CB 3.43Å; S98-R102 PolarHBondContact O-N 2.75Å; E99-R102 IonicContact OE1-NH1 3.35Å; E99-R102 PolarHBondContact OE1-NH1 3.02Å; E99-R102 WeakPolarHBondContact OE2-CD 3.3Å; E99-R102 IonicContact OE2-CZ 3.64Å; E99-R102 IonicContact OE2-NE 3.8Å; E99-R102 IonicContact OE2-NH1 2.72Å; E99-R102 PolarHBondContact OE2-NH1 2.83Å; R102-D104 PolarHBondContact O-N 2.75Å; R102-L105 VanDerWaalsContact O-CB 3.31Å; R102-L105 WeakPolarHBondContact O-CB 3.25Å; R102-L105 WeakPolarHBondContact O-CD1 3.25Å; R102-L105 WeakPolarHBondContact O-CG 3.45Å; R102-L105 PolarHBondContact O-N 3.21Å
103	F	84.8	Confident	86.7	Confident	113 Å²	113	44.5 Å²	44.5	50%	0.496	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	-72.2	-6.2	176.6	-56.5	-70.8	0	0	0	113.6	R25 N101	R25-F103 VanDerWaalsContact CZ-O 3.3Å; R25-F103 PolarHBondContact NH1-O 2.95Å; R25-F103 PolarHBondContact NH2-O 3.25Å; N101-F103 PolarHBondContact O-N 2.9Å
104	D	82.5	Confident	87.7	Confident	79 Å²	79	43.5 Å²	43.5	42%	0.422	21%	0.214	S	C	.	.	G	3₁₀ helix	trans	-85.2	-14.3	173.7	-56.6	-15.2	0	0	0	112.3	F89 R92 N101 R102	F89-D104 HydrophobicContact CZ-CB 4.06Å; R92-D104 PolarHBondContact NH1-O 3.26Å; N101-D104 VanDerWaalsContact O-CB 3.28Å; N101-D104 WeakPolarHBondContact O-CB 3.48Å; N101-D104 PolarHBondContact O-N 3.32Å; R102-D104 PolarHBondContact O-N 2.75Å
105	L	84.2	Confident	88.5	Confident	1 Å²	1	41.3 Å²	41.3	1%	0.005	20%	0.2	C	C	.	.			trans	-61.8	140.5	177.7	-73.4	170	0	0	0	112.2	R25 L32 F89 I97 R102 L111	R25-L105 PolarHBondContact NH2-O 2.93Å; L32-L105 HydrophobicContact CD1-CB 3.64Å; L32-L105 WeakPolarHBondContact CD1-O 3.39Å; F89-L105 HydrophobicContact CE1-CD2 3.74Å; F89-L105 HydrophobicContact CE1-CG 4.42Å; F89-L105 HydrophobicContact CZ-CD2 4.08Å; F89-L105 HydrophobicContact CZ-CG 4.36Å; I97-L105 HydrophobicContact CD1-CD2 3.88Å; I97-L105 HydrophobicContact CG2-CD1 4.32Å; R102-L105 VanDerWaalsContact O-CB 3.31Å; R102-L105 WeakPolarHBondContact O-CB 3.25Å; R102-L105 WeakPolarHBondContact O-CD1 3.25Å; R102-L105 WeakPolarHBondContact O-CG 3.45Å; R102-L105 PolarHBondContact O-N 3.21Å; L105-L111 HydrophobicContact CD2-CD1 3.82Å; L105-L111 HydrophobicContact CD2-CD2 3.66Å; L105-L111 HydrophobicContact CD2-CG 4.34Å
106	M	81.7	Confident	88.8	Confident	80 Å²	80	39.5 Å²	39.5	39%	0.394	19%	0.192	S	C	.	.			trans	-121.3	155.6	177.3	-59.2	-174.9	-48.3	0	0	112	G108 D109	M106-G108 PolarHBondContact O-N 2.84Å; M106-D109 PolarHBondContact N-OD2 3.37Å; M106-D109 WeakPolarHBondContact O-CB 3.5Å; M106-D109 PolarHBondContact O-N 3.25Å; M106-D109 VanDerWaalsContact O-N 3.12Å
107	N	81.1	Confident	88.9	Confident	42 Å²	42	39.5 Å²	39.5	23%	0.225	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	124.7	167.4	-87.5	-58	0	0	0	109.7	D29 K33	D29-N107 PolarHBondContact OD2-ND2 3.42Å; K33-N107 PolarHBondContact N-OD1 2.75Å
108	G	82.9	Confident	89.1	Confident	23 Å²	23	43 Å²	43	24%	0.237	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	90	-0.3	-177.9	0	0	0	0	0	115.6	K33 M106	K33-G108 PolarHBondContact O-N 2.81Å; M106-G108 PolarHBondContact O-N 2.84Å
109	D	85.8	Confident	89.3	Confident	21 Å²	21	44.7 Å²	44.7	11%	0.112	21%	0.212	C	C	.	.			trans	-60.4	140.4	170.9	-84.6	-24.3	0	0	0	110.3	V34 G35 R92 M106 L111	V34-D109 WeakPolarHBondContact CA-O 3.42Å; V34-D109 WeakPolarHBondContact CB-O 3.41Å; V34-D109 HydrophobicContact CG1-CB 4.41Å; G35-D109 PolarHBondContact N-O 3.11Å; R92-D109 WeakPolarHBondContact CD-OD1 3.28Å; R92-D109 IonicContact NH1-OD1 2.7Å; R92-D109 IonicContact NH1-OD2 3.49Å; R92-D109 PolarHBondContact NH1-OD2 2.89Å; M106-D109 PolarHBondContact N-OD2 3.37Å; M106-D109 WeakPolarHBondContact O-CB 3.5Å; M106-D109 PolarHBondContact O-N 3.25Å; M106-D109 VanDerWaalsContact O-N 3.12Å; D109-L111 HydrophobicContact CB-CD2 4.12Å
110	V	88.8	Confident	89.6	Confident	32 Å²	32	40.3 Å²	40.3	19%	0.194	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	123.5	171	-178.3	0	0	0	0	107.9	G35 E37 T90	G35-V110 CarbonylContact O-C 3.57Å; G35-V110 WeakPolarHBondContact O-CA 3.48Å; E37-V110 HydrophobicContact CG-CG1 4.11Å; T90-V110 WeakPolarHBondContact CB-O 3.4Å; T90-V110 HydrophobicContact CG2-CG1 4.49Å; T90-V110 VanDerWaalsContact CG2-O 3.28Å; T90-V110 WeakPolarHBondContact CG2-O 3.43Å; T90-V110 PolarHBondContact OG1-O 3.02Å
111	L	92.3	Very high	90	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	158.6	-175.9	-48.5	-176.5	0	0	0	110.3	V34 G35 V36 E37 L87 Q88 F89 I97 L105 D109	V34-L111 HydrophobicContact CB-CD1 4.39Å; V34-L111 HydrophobicContact CG2-CD1 4.16Å; G35-L111 PolarHBondContact O-N 3Å; V36-L111 WeakPolarHBondContact CA-O 3.41Å; V36-L111 HydrophobicContact CG1-CB 4.31Å; V36-L111 HydrophobicContact CG2-CB 4.24Å; V36-L111 HydrophobicContact CG2-CD1 4.47Å; E37-L111 PolarHBondContact N-O 3.06Å; L87-L111 HydrophobicContact CD1-CD1 4.37Å; Q88-L111 WeakPolarHBondContact O-CA 3.36Å; F89-L111 HydrophobicContact CD1-CD2 4.24Å; I97-L111 HydrophobicContact CD1-CD1 3.87Å; I97-L111 HydrophobicContact CD1-CD2 3.76Å; I97-L111 HydrophobicContact CD1-CG 4.3Å; L105-L111 HydrophobicContact CD2-CD1 3.82Å; L105-L111 HydrophobicContact CD2-CD2 3.66Å; L105-L111 HydrophobicContact CD2-CG 4.34Å; D109-L111 HydrophobicContact CB-CD2 4.12Å
112	L	93.2	Very high	90.5	Very high	29 Å²	29	31.7 Å²	31.7	15%	0.152	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	132.4	166.1	-64.2	173.9	0	0	0	109.7	E37 N39 L87 Q88 T90	E37-L112 HydrophobicContact CB-CD2 4.17Å; E37-L112 CarbonylContact O-C 3.58Å; E37-L112 WeakPolarHBondContact O-CA 3.39Å; N39-L112 HydrophobicContact CB-CB 4.22Å; N39-L112 HydrophobicContact CB-CD1 4.3Å; L87-L112 CarbonylContact C-O 3.57Å; L87-L112 WeakPolarHBondContact CA-O 3.28Å; Q88-L112 HydrophobicContact CB-CB 4.43Å; Q88-L112 PolarHBondContact N-O 3.38Å; Q88-L112 PolarHBondContact O-N 3.21Å; T90-L112 HydrophobicContact CG2-CD1 4.11Å; T90-L112 HydrophobicContact CG2-CD2 4.1Å; T90-L112 HydrophobicContact CG2-CG 3.61Å
113	L	94.8	Very high	90.9	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	119.4	154.7	-172.2	76	0	0	0	107.4	V36 E37 L38 N39 T70 L73 W77 L79 F85 L87	V36-L113 HydrophobicContact CG1-CB 4.11Å; E37-L113 PolarHBondContact O-N 3.07Å; L38-L113 HydrophobicContact CD2-CB 4.22Å; L38-L113 HydrophobicContact CD2-CD2 3.9Å; N39-L113 WeakPolarHBondContact CB-O 3.22Å; N39-L113 PolarHBondContact N-O 3.09Å; T70-L113 HydrophobicContact CG2-CD1 4.15Å; L73-L113 HydrophobicContact CB-CD2 4.35Å; L73-L113 HydrophobicContact CD1-CD1 4.34Å; W77-L113 HydrophobicContact CE3-CD2 3.74Å; W77-L113 HydrophobicContact CZ3-CB 3.8Å; W77-L113 HydrophobicContact CZ3-CD2 3.68Å; W77-L113 HydrophobicContact CZ3-CG 4.36Å; L79-L113 HydrophobicContact CD1-CD2 3.8Å; F85-L113 HydrophobicContact CB-CD1 3.94Å; F85-L113 HydrophobicContact CB-CG 4.23Å; F85-L113 HydrophobicContact CD1-CD2 4.3Å; F85-L113 HydrophobicContact CD1-CG 4.29Å; F85-L113 HydrophobicContact CG-CD2 4.5Å; L87-L113 HydrophobicContact CD2-CB 4.48Å; L87-L113 HydrophobicContact CD2-CD1 4.03Å
114	T	94.7	Very high	91.5	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.006	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	175.4	-177.4	-175.4	0	0	0	0	109.1	N39 F85 A86 Q88 Y96	N39-T114 PolarHBondContact ND2-OG1 3.36Å; F85-T114 CarbonylContact C-O 3.57Å; F85-T114 VanDerWaalsContact CA-O 3.25Å; F85-T114 WeakPolarHBondContact CA-O 3.49Å; A86-T114 PolarHBondContact N-O 3.3Å; A86-T114 PolarHBondContact O-N 3.15Å; A86-T114 VanDerWaalsContact O-O 3.13Å; Q88-T114 HydrophobicContact CB-CG2 3.76Å; Y96-T114 HydrophobicContact CD1-CG2 4.41Å; Y96-T114 HydrophobicContact CE1-CG2 3.63Å
115	L	95.8	Very high	92.1	Very high	2 Å²	2	24.6 Å²	24.6	1%	0.01	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	143.7	171.9	-63.3	-178.9	0	0	0	111.4	L42 L45 A46 D84 F85 Y96 K119 L120 I123	L42-L115 HydrophobicContact CD2-CD2 3.77Å; L42-L115 HydrophobicContact CD2-CG 3.73Å; L45-L115 HydrophobicContact CB-CD1 3.81Å; L45-L115 HydrophobicContact CD1-CD1 4.3Å; A46-L115 HydrophobicContact CB-CD1 4.44Å; A46-L115 HydrophobicContact CB-CD2 4.1Å; D84-L115 CarbonylContact O-C 3.55Å; D84-L115 VanDerWaalsContact O-CA 3.3Å; D84-L115 WeakPolarHBondContact O-CA 3.29Å; F85-L115 HydrophobicContact CD1-CD2 4.39Å; F85-L115 HydrophobicContact CE1-CD2 4.13Å; Y96-L115 VanDerWaalsContact CE1-O 3.26Å; Y96-L115 WeakPolarHBondContact CE1-O 3.36Å; Y96-L115 PolarHBondContact OH-O 2.88Å; L115-K119 HydrophobicContact CB-CB 4.47Å; L115-K119 HydrophobicContact CD1-CG 4.43Å; L115-K119 HydrophobicContact CD2-CG 4.24Å; L115-L120 HydrophobicContact CB-CB 4.24Å; L115-I123 HydrophobicContact CD1-CD1 3.48Å; L115-I123 VanDerWaalsContact CD1-CD1 3.48Å
116	S	95.4	Very high	92.7	Very high	6 Å²	6	27.7 Å²	27.7	4%	0.042	15%	0.152	C	C	.	.			trans	-59.4	151.4	173.8	58.7	0	0	0	0	111.1	H83 D84 E118 K119 L120	H83-S116 PolarHBondContact O-OG 3.19Å; D84-S116 PolarHBondContact O-N 2.92Å; D84-S116 PolarHBondContact O-OG 3.45Å; S116-E118 PolarHBondContact O-N 3.06Å; S116-K119 PolarHBondContact O-N 2.76Å; S116-K119 VanDerWaalsContact O-N 3.14Å; S116-K119 VanDerWaalsContact OG-CB 3.29Å; S116-K119 WeakPolarHBondContact OG-CB 3.36Å; S116-K119 PolarHBondContact OG-N 2.75Å; S116-L120 WeakPolarHBondContact O-CB 3.46Å; S116-L120 PolarHBondContact O-N 3.39Å
117	P	95.4	Very high	93.4	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.006	15%	0.145	C	C	.	.	H	α-helix	trans	-52.5	-37.7	177.8	-30.5	39	0	0	0	113.3	Y96 S121 Q151	Y96-P117 HydrophobicContact CD1-CG 3.79Å; Y96-P117 HydrophobicContact CD2-CG 3.91Å; Y96-P117 HydrophobicContact CE1-CG 3.83Å; Y96-P117 HydrophobicContact CE2-CG 3.98Å; Y96-P117 HydrophobicContact CG-CG 3.81Å; P117-S121 WeakPolarHBondContact O-CB 3.43Å; P117-S121 PolarHBondContact O-N 2.87Å; P117-Q151 HydrophobicContact CB-CG 4.34Å; P117-Q151 HydrophobicContact CG-CG 3.91Å
118	E	95.6	Very high	94.2	Very high	82 Å²	82	25.1 Å²	25.1	38%	0.383	14%	0.135	S	C	.	.	H	α-helix	trans	-63.8	-54.8	176.2	-61.1	64.5	-140.2	0	0	110.2	S116 L120 S121 D122 T155	S116-E118 PolarHBondContact O-N 3.06Å; E118-L120 PolarHBondContact O-N 2.96Å; E118-S121 WeakPolarHBondContact O-CB 3.42Å; E118-S121 PolarHBondContact O-N 3.25Å; E118-D122 PolarHBondContact O-N 3.18Å; E118-T155 HydrophobicContact CB-CG2 4.33Å; E118-T155 HydrophobicContact CG-CG2 3.91Å; E118-T155 PolarHBondContact OE1-OG1 3.38Å
119	K	95.7	Very high	94.8	Very high	62 Å²	62	29.3 Å²	29.3	27%	0.27	15%	0.152	S	C	.	.	H	α-helix	trans	-64	-39.8	-178.3	-172.8	55.5	159.9	-123.5	0	112.8	D84 L115 S116 D122 I123	D84-K119 HydrophobicContact CB-CB 4.47Å; D84-K119 HydrophobicContact CB-CG 4.07Å; D84-K119 WeakPolarHBondContact OD1-CD 3.27Å; D84-K119 IonicContact OD1-NZ 2.75Å; D84-K119 PolarHBondContact OD1-NZ 3.34Å; D84-K119 IonicContact OD2-NZ 3.21Å; D84-K119 PolarHBondContact OD2-NZ 3.4Å; L115-K119 HydrophobicContact CB-CB 4.47Å; L115-K119 HydrophobicContact CD1-CG 4.43Å; L115-K119 HydrophobicContact CD2-CG 4.24Å; S116-K119 PolarHBondContact O-N 2.76Å; S116-K119 VanDerWaalsContact O-N 3.14Å; S116-K119 VanDerWaalsContact OG-CB 3.29Å; S116-K119 WeakPolarHBondContact OG-CB 3.36Å; S116-K119 PolarHBondContact OG-N 2.75Å; K119-D122 PolarHBondContact O-N 2.86Å; K119-I123 HydrophobicContact CD-CD1 4.46Å; K119-I123 HydrophobicContact CG-CD1 4.24Å; K119-I123 WeakPolarHBondContact O-CD1 3.38Å; K119-I123 WeakPolarHBondContact O-CG1 3.33Å; K119-I123 PolarHBondContact O-N 3.22Å; K119-I123 VanDerWaalsContact O-N 3.16Å
120	L	95.8	Very high	95.3	Very high	3 Å²	3	29.3 Å²	29.3	2%	0.016	15%	0.154	C	C	.	.	H	α-helix	trans	-67.4	-40.6	175.9	-176.4	60.6	0	0	0	111.2	L45 Y96 L115 S116 E118 I123 L124 R146 F152	L45-L120 HydrophobicContact CD1-CD1 3.8Å; L45-L120 HydrophobicContact CD2-CD1 4.36Å; Y96-L120 WeakPolarHBondContact OH-CD2 3.46Å; L115-L120 HydrophobicContact CB-CB 4.24Å; S116-L120 WeakPolarHBondContact O-CB 3.46Å; S116-L120 PolarHBondContact O-N 3.39Å; E118-L120 PolarHBondContact O-N 2.96Å; L120-I123 PolarHBondContact O-N 3.44Å; L120-L124 HydrophobicContact CD1-CD1 3.99Å; L120-L124 HydrophobicContact CD1-CG 4.11Å; L120-L124 HydrophobicContact CG-CD1 3.88Å; L120-L124 HydrophobicContact CG-CG 4.38Å; L120-L124 WeakPolarHBondContact O-CB 3.48Å; L120-L124 VanDerWaalsContact O-CG 3.28Å; L120-L124 WeakPolarHBondContact O-CG 3.11Å; L120-L124 PolarHBondContact O-N 3.19Å; L120-R146 HydrophobicContact CD2-CG 4.01Å; L120-F152 HydrophobicContact CB-CE2 4.29Å; L120-F152 HydrophobicContact CD2-CD2 4.08Å; L120-F152 HydrophobicContact CD2-CE2 3.93Å; L120-F152 HydrophobicContact CG-CD2 4.41Å; L120-F152 HydrophobicContact CG-CE2 3.89Å
121	S	96.6	Very high	95.5	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-58.8	-47.8	174.4	180	0	0	0	0	111	P117 E118 I123 L124 I125 F156	P117-S121 WeakPolarHBondContact O-CB 3.43Å; P117-S121 PolarHBondContact O-N 2.87Å; E118-S121 WeakPolarHBondContact O-CB 3.42Å; E118-S121 PolarHBondContact O-N 3.25Å; S121-I123 PolarHBondContact O-N 3.46Å; S121-L124 PolarHBondContact O-N 3.21Å; S121-I125 VanDerWaalsContact O-CB 3.27Å; S121-I125 WeakPolarHBondContact O-CB 3.45Å; S121-I125 VanDerWaalsContact O-CG1 3.25Å; S121-I125 WeakPolarHBondContact O-CG1 3.23Å; S121-I125 PolarHBondContact O-N 3.11Å; S121-I125 WeakPolarHBondContact OG-CD1 3.35Å; S121-F156 WeakPolarHBondContact OG-CA 3.38Å; S121-F156 WeakPolarHBondContact OG-CD2 3.23Å
122	D	96.3	Very high	95.6	Very high	85 Å²	85	37.4 Å²	37.4	46%	0.455	20%	0.203	S	C	.	.	H	α-helix	trans	-61.5	-43.7	-179.2	-68	-13	0	0	0	112.4	E118 K119 S126 N159	E118-D122 PolarHBondContact O-N 3.18Å; K119-D122 PolarHBondContact O-N 2.86Å; D122-S126 WeakPolarHBondContact O-CB 3.48Å; D122-S126 PolarHBondContact O-N 3.13Å; D122-N159 PolarHBondContact OD1-ND2 3.01Å
123	I	95.8	Very high	95.6	Very high	25 Å²	25	38.7 Å²	38.7	13%	0.128	21%	0.212	C	C	.	.	H	α-helix	trans	-62.9	-51	176.6	-68.6	162.5	0	0	0	110.4	L45 L115 K119 L120 S121 I125 S126 W127	L45-I123 HydrophobicContact CD2-CG2 4.34Å; L115-I123 HydrophobicContact CD1-CD1 3.48Å; L115-I123 VanDerWaalsContact CD1-CD1 3.48Å; K119-I123 HydrophobicContact CD-CD1 4.46Å; K119-I123 HydrophobicContact CG-CD1 4.24Å; K119-I123 WeakPolarHBondContact O-CD1 3.38Å; K119-I123 WeakPolarHBondContact O-CG1 3.33Å; K119-I123 PolarHBondContact O-N 3.22Å; K119-I123 VanDerWaalsContact O-N 3.16Å; L120-I123 PolarHBondContact O-N 3.44Å; S121-I123 PolarHBondContact O-N 3.46Å; I123-I125 VanDerWaalsContact C-N 3.34Å; I123-I125 PolarHBondContact O-N 2.79Å; I123-S126 WeakPolarHBondContact O-CB 3.25Å; I123-S126 PolarHBondContact O-N 2.9Å; I123-S126 VanDerWaalsContact O-N 3.12Å; I123-S126 PolarHBondContact O-OG 3.1Å; I123-W127 HydrophobicContact CG2-CD2 4.25Å; I123-W127 HydrophobicContact CG2-CZ2 3.88Å; I123-W127 PolarHBondContact O-N 3.44Å
124	L	96.5	Very high	95.6	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-64.7	-38.9	-178.5	-66.1	175	0	0	0	111.5	L120 S121 S126 W127 L128 A139 Y142 L143 F152 F156	L120-L124 HydrophobicContact CD1-CD1 3.99Å; L120-L124 HydrophobicContact CD1-CG 4.11Å; L120-L124 HydrophobicContact CG-CD1 3.88Å; L120-L124 HydrophobicContact CG-CG 4.38Å; L120-L124 WeakPolarHBondContact O-CB 3.48Å; L120-L124 VanDerWaalsContact O-CG 3.28Å; L120-L124 WeakPolarHBondContact O-CG 3.11Å; L120-L124 PolarHBondContact O-N 3.19Å; S121-L124 PolarHBondContact O-N 3.21Å; L124-S126 VanDerWaalsContact C-N 3.34Å; L124-S126 PolarHBondContact O-N 3.32Å; L124-W127 HydrophobicContact CD2-CE3 4.3Å; L124-W127 PolarHBondContact O-N 2.73Å; L124-L128 WeakPolarHBondContact O-CB 3.27Å; L124-L128 WeakPolarHBondContact O-CG 3.48Å; L124-L128 PolarHBondContact O-N 3.01Å; L124-A139 HydrophobicContact CD2-CB 3.92Å; L124-Y142 HydrophobicContact CD2-CD2 4.41Å; L124-L143 HydrophobicContact CD1-CD1 4.28Å; L124-F152 HydrophobicContact CD1-CE2 4.12Å; L124-F152 HydrophobicContact CD1-CZ 3.82Å; L124-F156 HydrophobicContact CB-CE2 4.34Å
125	I	97	Very high	95.6	Very high	21 Å²	21	46.6 Å²	46.6	11%	0.108	26%	0.255	C	S	.	.	H	α-helix	trans	-60.4	-43.1	172.4	-76	169.4	0	0	0	111	S121 I123 W127 L128 L129 F156 N159 I164	S121-I125 VanDerWaalsContact O-CB 3.27Å; S121-I125 WeakPolarHBondContact O-CB 3.45Å; S121-I125 VanDerWaalsContact O-CG1 3.25Å; S121-I125 WeakPolarHBondContact O-CG1 3.23Å; S121-I125 PolarHBondContact O-N 3.11Å; S121-I125 WeakPolarHBondContact OG-CD1 3.35Å; I123-I125 VanDerWaalsContact C-N 3.34Å; I123-I125 PolarHBondContact O-N 2.79Å; I125-W127 VanDerWaalsContact C-N 3.3Å; I125-W127 PolarHBondContact O-N 2.81Å; I125-L128 PolarHBondContact O-N 3.12Å; I125-L129 HydrophobicContact CG2-CD1 3.73Å; I125-L129 HydrophobicContact CG2-CG 4.37Å; I125-L129 WeakPolarHBondContact O-CB 3.47Å; I125-L129 VanDerWaalsContact O-CG 3.29Å; I125-L129 WeakPolarHBondContact O-CG 3.4Å; I125-L129 PolarHBondContact O-N 3Å; I125-F156 HydrophobicContact CD1-CD2 4.38Å; I125-F156 HydrophobicContact CD1-CE2 4.37Å; I125-F156 HydrophobicContact CG1-CD2 4.27Å; I125-F156 HydrophobicContact CG1-CE2 3.79Å; I125-F156 HydrophobicContact CG1-CZ 4.45Å; I125-N159 HydrophobicContact CD1-CB 3.48Å; I125-N159 VanDerWaalsContact CD1-CB 3.48Å; I125-N159 WeakPolarHBondContact CD1-O 3.46Å; I125-I164 HydrophobicContact CG1-CD1 4.27Å; I125-I164 HydrophobicContact CG2-CD1 3.8Å
126	S	96.4	Very high	95.6	Very high	66 Å²	66	46.8 Å²	46.8	46%	0.462	26%	0.255	S	S	.	.	H	α-helix	trans	-61.8	-37.7	177.7	79.6	0	0	0	0	112.7	D122 I123 L124 S130	D122-S126 WeakPolarHBondContact O-CB 3.48Å; D122-S126 PolarHBondContact O-N 3.13Å; I123-S126 WeakPolarHBondContact O-CB 3.25Å; I123-S126 PolarHBondContact O-N 2.9Å; I123-S126 VanDerWaalsContact O-N 3.12Å; I123-S126 PolarHBondContact O-OG 3.1Å; L124-S126 VanDerWaalsContact C-N 3.34Å; L124-S126 PolarHBondContact O-N 3.32Å; S126-S130 PolarHBondContact O-N 3.48Å
127	W	96.6	Very high	95.7	Very high	63 Å²	63	48.7 Å²	48.7	24%	0.239	27%	0.267	C	S	.	.	H	α-helix	trans	-73.9	-41	177.4	-64.4	2.3	0	0	0	112.1	L45 I123 L124 I125 L129 S130 C138 A139 Y142	L45-W127 HydrophobicContact CD2-CH2 3.64Å; L45-W127 HydrophobicContact CD2-CZ2 4.31Å; L45-W127 HydrophobicContact CD2-CZ3 4.07Å; I123-W127 HydrophobicContact CG2-CD2 4.25Å; I123-W127 HydrophobicContact CG2-CZ2 3.88Å; I123-W127 PolarHBondContact O-N 3.44Å; L124-W127 HydrophobicContact CD2-CE3 4.3Å; L124-W127 PolarHBondContact O-N 2.73Å; I125-W127 VanDerWaalsContact C-N 3.3Å; I125-W127 PolarHBondContact O-N 2.81Å; W127-L129 VanDerWaalsContact C-N 3.26Å; W127-L129 PolarHBondContact O-N 3.01Å; W127-S130 WeakPolarHBondContact O-CB 3.48Å; W127-S130 PolarHBondContact O-N 3.47Å; W127-S130 VanDerWaalsContact O-N 3.09Å; W127-C138 HydrophobicContact CE3-CB 4.31Å; W127-C138 HydrophobicContact CZ3-CB 4.27Å; W127-A139 HydrophobicContact CB-CB 4.11Å; W127-A139 HydrophobicContact CE3-CB 4.02Å; W127-Y142 HydrophobicContact CH2-CE2 4.42Å; W127-Y142 HydrophobicContact CZ3-CD2 4.14Å; W127-Y142 AromaticContact CZ3-CE2 3.94Å; W127-Y142 HydrophobicContact CZ3-CE2 3.94Å
128	L	96.8	Very high	95.7	Very high	5 Å²	5	51.9 Å²	51.9	3%	0.026	29%	0.289	C	S	.	.	H	α-helix	trans	-66.1	-27.1	175.7	-69.8	174.7	0	0	0	113.1	L124 I125 I136 A139 L143 F156 I164 V165 I168 M182	L124-L128 WeakPolarHBondContact O-CB 3.27Å; L124-L128 WeakPolarHBondContact O-CG 3.48Å; L124-L128 PolarHBondContact O-N 3.01Å; I125-L128 PolarHBondContact O-N 3.12Å; L128-I136 HydrophobicContact CD2-CG2 3.96Å; L128-A139 HydrophobicContact CD2-CB 4.01Å; L128-A139 HydrophobicContact CG-CB 4.19Å; L128-L143 HydrophobicContact CD1-CD2 4.21Å; L128-F156 HydrophobicContact CD1-CE2 4.26Å; L128-F156 HydrophobicContact CD1-CZ 3.7Å; L128-I164 HydrophobicContact CB-CG2 3.81Å; L128-V165 HydrophobicContact CD1-CG2 4.47Å; L128-I168 HydrophobicContact CB-CD1 3.97Å; L128-I168 HydrophobicContact CD2-CD1 3.88Å; L128-I168 HydrophobicContact CG-CD1 4.45Å; L128-I168 WeakPolarHBondContact O-CD1 3.31Å; L128-M182 HydrophobicContact CD2-CE 3.74Å
129	L	96.2	Very high	95.6	Very high	111 Å²	111	48 Å²	48	58%	0.581	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.9	-3.4	173.5	-70.5	174.5	0	0	0	113.6	I125 W127 I164	I125-L129 HydrophobicContact CG2-CD1 3.73Å; I125-L129 HydrophobicContact CG2-CG 4.37Å; I125-L129 WeakPolarHBondContact O-CB 3.47Å; I125-L129 VanDerWaalsContact O-CG 3.29Å; I125-L129 WeakPolarHBondContact O-CG 3.4Å; I125-L129 PolarHBondContact O-N 3Å; W127-L129 VanDerWaalsContact C-N 3.26Å; W127-L129 PolarHBondContact O-N 3.01Å; L129-I164 HydrophobicContact CD1-CD1 4.06Å; L129-I164 HydrophobicContact CD2-CD1 3.95Å; L129-I164 HydrophobicContact CD2-CG1 3.98Å; L129-I164 HydrophobicContact CD2-CG2 4.1Å; L129-I164 HydrophobicContact CG-CD1 3.97Å; L129-I164 HydrophobicContact CG-CG2 4.44Å
130	S	94.8	Very high	95.6	Very high	22 Å²	22	45 Å²	45	15%	0.154	26%	0.257	C	S	.	.			trans	-63.3	141.4	177.8	-174.3	0	0	0	0	111.3	S126 W127 N132 D135	S126-S130 PolarHBondContact O-N 3.48Å; W127-S130 WeakPolarHBondContact O-CB 3.48Å; W127-S130 PolarHBondContact O-N 3.47Å; W127-S130 VanDerWaalsContact O-N 3.09Å; S130-N132 PolarHBondContact O-N 3.09Å; S130-N132 PolarHBondContact OG-N 3.16Å; S130-N132 VanDerWaalsContact OG-N 3.14Å; S130-D135 VanDerWaalsContact CB-OD2 3.31Å; S130-D135 WeakPolarHBondContact CB-OD2 3.26Å; S130-D135 PolarHBondContact OG-OD2 3.33Å
131	P	93.2	Very high	95.5	Very high	136 Å²	136	48.3 Å²	48.3	88%	0.883	28%	0.279	S	S	*	.	S	Bend	trans	-69.3	-14.1	168.4	30.8	-36.3	0	0	0	112.8
132	N	94.2	Very high	95.3	Very high	65 Å²	65	50.4 Å²	50.4	35%	0.348	29%	0.287	S	S	.	.			trans	-88.2	123.6	177.2	-177.2	22.6	0	0	0	111	S130 D134 D135	S130-N132 PolarHBondContact O-N 3.09Å; S130-N132 PolarHBondContact OG-N 3.16Å; S130-N132 VanDerWaalsContact OG-N 3.14Å; N132-D134 VanDerWaalsContact C-N 3.27Å; N132-D134 PolarHBondContact O-N 2.87Å; N132-D134 PolarHBondContact OD1-N 3.14Å; N132-D135 PolarHBondContact ND2-OD1 3.02Å; N132-D135 PolarHBondContact O-N 3.02Å
133	V	94.3	Very high	95.2	Very high	56 Å²	56	46.3 Å²	46.3	34%	0.339	27%	0.265	S	S	.	.	H	α-helix	trans	-64.7	-31.8	179.7	-176.8	0	0	0	0	111.6	D135 I136 V137 L174	V133-D135 VanDerWaalsContact C-N 3.3Å; V133-D135 PolarHBondContact O-N 3.42Å; V133-I136 WeakPolarHBondContact O-CB 3.31Å; V133-I136 PolarHBondContact O-N 3.23Å; V133-V137 HydrophobicContact CG1-CG2 4.28Å; V133-V137 WeakPolarHBondContact O-CG2 3.47Å; V133-V137 PolarHBondContact O-N 2.96Å; V133-L174 HydrophobicContact CG1-CD2 3.91Å
134	D	94.9	Very high	95.1	Very high	109 Å²	109	47.7 Å²	47.7	58%	0.583	27%	0.274	S	S	*	.	H	α-helix	trans	-64.3	-34.9	179.8	-64.3	-34.5	0	0	0	112.2	N132 V137 C138	N132-D134 VanDerWaalsContact C-N 3.27Å; N132-D134 PolarHBondContact O-N 2.87Å; N132-D134 PolarHBondContact OD1-N 3.14Å; D134-V137 PolarHBondContact O-N 3.05Å; D134-C138 PolarHBondContact O-N 2.94Å; D134-C138 PolarHBondContact O-SG 3Å
135	D	94.7	Very high	94.8	Very high	59 Å²	59	50.8 Å²	50.8	32%	0.316	29%	0.293	S	S	.	.	H	α-helix	trans	-67.5	-41.2	177	-55.3	-8.8	0	0	0	110.6	S130 N132 V133 V137 C138 A139	S130-D135 VanDerWaalsContact CB-OD2 3.31Å; S130-D135 WeakPolarHBondContact CB-OD2 3.26Å; S130-D135 PolarHBondContact OG-OD2 3.33Å; N132-D135 PolarHBondContact ND2-OD1 3.02Å; N132-D135 PolarHBondContact O-N 3.02Å; V133-D135 VanDerWaalsContact C-N 3.3Å; V133-D135 PolarHBondContact O-N 3.42Å; D135-V137 VanDerWaalsContact C-N 3.33Å; D135-V137 PolarHBondContact O-N 3.38Å; D135-C138 WeakPolarHBondContact O-CB 3.25Å; D135-C138 PolarHBondContact O-N 2.7Å; D135-A139 PolarHBondContact O-N 3Å; D135-A139 VanDerWaalsContact O-N 3.16Å
136	I	96.1	Very high	94.5	Very high	5 Å²	5	50.5 Å²	50.5	3%	0.026	29%	0.291	C	S	.	.	H	α-helix	trans	-60.2	-45	173.6	-58.3	177.7	0	0	0	109.8	L128 V133 C138 A139 I168 I173 L174 M182	L128-I136 HydrophobicContact CD2-CG2 3.96Å; V133-I136 WeakPolarHBondContact O-CB 3.31Å; V133-I136 PolarHBondContact O-N 3.23Å; I136-C138 VanDerWaalsContact C-N 3.33Å; I136-C138 PolarHBondContact O-N 3.1Å; I136-A139 WeakPolarHBondContact O-CB 3.32Å; I136-A139 PolarHBondContact O-N 3.39Å; I136-I168 HydrophobicContact CG2-CD1 4.24Å; I136-I168 HydrophobicContact CG2-CG2 4.37Å; I136-I173 HydrophobicContact CD1-CD1 3.61Å; I136-L174 HydrophobicContact CG2-CD1 4.39Å; I136-L174 HydrophobicContact CG2-CD2 4.27Å; I136-M182 HydrophobicContact CG2-CE 4.11Å
137	V	96.5	Very high	94.3	Very high	46 Å²	46	47.7 Å²	47.7	28%	0.279	27%	0.271	S	S	.	.	H	α-helix	trans	-63.6	-37.8	176.7	172.9	0	0	0	0	111.4	V133 D134 D135 A139 L140 P141 L174 P178	V133-V137 HydrophobicContact CG1-CG2 4.28Å; V133-V137 WeakPolarHBondContact O-CG2 3.47Å; V133-V137 PolarHBondContact O-N 2.96Å; D134-V137 PolarHBondContact O-N 3.05Å; D135-V137 VanDerWaalsContact C-N 3.33Å; D135-V137 PolarHBondContact O-N 3.38Å; V137-A139 VanDerWaalsContact C-N 3.27Å; V137-A139 PolarHBondContact O-N 3.39Å; V137-L140 PolarHBondContact O-N 3.03Å; V137-P141 WeakPolarHBondContact O-CD 3.36Å; V137-L174 HydrophobicContact CG2-CD2 4.1Å; V137-P178 HydrophobicContact CG1-CG 4.17Å; V137-P178 HydrophobicContact CG2-CB 4.07Å; V137-P178 HydrophobicContact CG2-CG 4Å
138	C	94.9	Very high	93.9	Very high	69 Å²	69	46.2 Å²	46.2	47%	0.466	27%	0.27	S	S	.	.	H	α-helix	trans	-64.4	-27	175.6	-69.9	0	0	0	0	113.4	W127 D134 D135 I136 Y142	W127-C138 HydrophobicContact CE3-CB 4.31Å; W127-C138 HydrophobicContact CZ3-CB 4.27Å; D134-C138 PolarHBondContact O-N 2.94Å; D134-C138 PolarHBondContact O-SG 3Å; D135-C138 WeakPolarHBondContact O-CB 3.25Å; D135-C138 PolarHBondContact O-N 2.7Å; I136-C138 VanDerWaalsContact C-N 3.33Å; I136-C138 PolarHBondContact O-N 3.1Å; C138-Y142 WeakPolarHBondContact O-CD2 3.01Å; C138-Y142 WeakPolarHBondContact O-CE2 3.36Å
139	A	95.3	Very high	93.6	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-72.8	-30.9	176.1	0	0	0	0	0	113.5	L124 W127 L128 D135 I136 V137 Y142 L143	L124-A139 HydrophobicContact CD2-CB 3.92Å; W127-A139 HydrophobicContact CB-CB 4.11Å; W127-A139 HydrophobicContact CE3-CB 4.02Å; L128-A139 HydrophobicContact CD2-CB 4.01Å; L128-A139 HydrophobicContact CG-CB 4.19Å; D135-A139 PolarHBondContact O-N 3Å; D135-A139 VanDerWaalsContact O-N 3.16Å; I136-A139 WeakPolarHBondContact O-CB 3.32Å; I136-A139 PolarHBondContact O-N 3.39Å; V137-A139 VanDerWaalsContact C-N 3.27Å; V137-A139 PolarHBondContact O-N 3.39Å; A139-Y142 PolarHBondContact O-N 3.26Å; A139-L143 PolarHBondContact O-N 3.07Å
140	L	95.7	Very high	93.4	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-61.3	-43.7	-169.1	-68.5	172.8	0	0	0	115.3	V137 Y142 L143 V144 L174 P178 Q181 M182	V137-L140 PolarHBondContact O-N 3.03Å; L140-Y142 VanDerWaalsContact C-N 3.28Å; L140-Y142 PolarHBondContact O-N 2.99Å; L140-L143 PolarHBondContact O-N 2.93Å; L140-V144 VanDerWaalsContact O-CG2 3.32Å; L140-V144 WeakPolarHBondContact O-CG2 3.48Å; L140-V144 PolarHBondContact O-N 3.32Å; L140-L174 HydrophobicContact CD1-CD1 4.3Å; L140-P178 HydrophobicContact CD1-CB 3.73Å; L140-P178 WeakPolarHBondContact CD1-O 3.26Å; L140-Q181 HydrophobicContact CB-CB 4.13Å; L140-Q181 HydrophobicContact CD1-CB 4.2Å; L140-Q181 HydrophobicContact CD2-CB 4.34Å; L140-Q181 HydrophobicContact CG-CB 4.47Å; L140-M182 HydrophobicContact CD2-CB 4.07Å; L140-M182 HydrophobicContact CD2-CE 3.69Å; L140-M182 HydrophobicContact CD2-SD 3.92Å
141	P	92.4	Very high	93.3	Very high	71 Å²	71	44.9 Å²	44.9	46%	0.461	26%	0.263	S	S	.	.	H	α-helix	trans	-59	-38	178.8	-25.6	35.6	0	0	0	113.2	V137 V145	V137-P141 WeakPolarHBondContact O-CD 3.36Å; P141-V145 WeakPolarHBondContact O-CG2 3.49Å
142	Y	93.2	Very high	93.4	Very high	44 Å²	44	38.4 Å²	38.4	17%	0.173	22%	0.221	C	C	.	.	H	α-helix	trans	-72.5	-45.8	176.6	-55	-75.3	0	0	0	111	D41 P44 L45 L124 W127 C138 A139 L140 V145 R146	D41-Y142 HydrophobicContact CB-CD1 4.49Å; D41-Y142 HydrophobicContact CB-CE1 4Å; P44-Y142 WeakPolarHBondContact CG-OH 3.49Å; L45-Y142 HydrophobicContact CD1-CD1 4.16Å; L45-Y142 HydrophobicContact CD1-CE1 4.17Å; L45-Y142 HydrophobicContact CD2-CD1 4.4Å; L45-Y142 HydrophobicContact CD2-CD2 4.21Å; L45-Y142 HydrophobicContact CD2-CE1 4.31Å; L45-Y142 HydrophobicContact CD2-CE2 4.11Å; L45-Y142 HydrophobicContact CD2-CG 4.35Å; L45-Y142 HydrophobicContact CG-CE1 4.24Å; L124-Y142 HydrophobicContact CD2-CD2 4.41Å; W127-Y142 HydrophobicContact CH2-CE2 4.42Å; W127-Y142 HydrophobicContact CZ3-CD2 4.14Å; W127-Y142 AromaticContact CZ3-CE2 3.94Å; W127-Y142 HydrophobicContact CZ3-CE2 3.94Å; C138-Y142 WeakPolarHBondContact O-CD2 3.01Å; C138-Y142 WeakPolarHBondContact O-CE2 3.36Å; A139-Y142 PolarHBondContact O-N 3.26Å; L140-Y142 VanDerWaalsContact C-N 3.28Å; L140-Y142 PolarHBondContact O-N 2.99Å; Y142-V145 PolarHBondContact O-N 3.36Å; Y142-R146 VanDerWaalsContact O-CG 3.25Å; Y142-R146 WeakPolarHBondContact O-CG 3.38Å; Y142-R146 PolarHBondContact O-N 3.31Å
143	L	94.6	Very high	93.4	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-62	-49.1	-176.6	-169.4	64.2	0	0	0	111.9	L124 L128 A139 L140 V145 R146 V147 F152 F156 V165 C185	L124-L143 HydrophobicContact CD1-CD1 4.28Å; L128-L143 HydrophobicContact CD1-CD2 4.21Å; A139-L143 PolarHBondContact O-N 3.07Å; L140-L143 PolarHBondContact O-N 2.93Å; L143-V145 PolarHBondContact O-N 2.91Å; L143-V145 VanDerWaalsContact O-N 3.15Å; L143-R146 PolarHBondContact O-N 3.11Å; L143-V147 HydrophobicContact CD1-CG2 3.97Å; L143-V147 HydrophobicContact CG-CG2 3.93Å; L143-V147 VanDerWaalsContact O-CG2 3.26Å; L143-V147 WeakPolarHBondContact O-CG2 3.27Å; L143-V147 PolarHBondContact O-N 3.06Å; L143-F152 HydrophobicContact CD1-CE1 3.78Å; L143-F152 HydrophobicContact CD1-CZ 3.81Å; L143-F156 HydrophobicContact CD1-CD1 4.46Å; L143-F156 HydrophobicContact CD1-CD2 4.38Å; L143-F156 HydrophobicContact CD1-CE1 4.02Å; L143-F156 HydrophobicContact CD1-CE2 3.94Å; L143-F156 HydrophobicContact CD1-CZ 3.75Å; L143-F156 HydrophobicContact CD2-CZ 4.29Å; L143-V165 HydrophobicContact CD2-CG2 4.29Å; L143-C185 HydrophobicContact CD2-CB 3.85Å; L143-C185 HydrophobicContact CG-CB 4.12Å; L143-C185 VanDerWaalsContact CG-SG 3.57Å
144	V	93.2	Very high	93.4	Very high	53 Å²	53	36.2 Å²	36.2	32%	0.321	21%	0.21	S	C	.	.	H	α-helix	trans	-54.6	-38.7	-177.9	170.9	0	0	0	0	112.6	L140 Q181 C185	L140-V144 VanDerWaalsContact O-CG2 3.32Å; L140-V144 WeakPolarHBondContact O-CG2 3.48Å; L140-V144 PolarHBondContact O-N 3.32Å; V144-Q181 HydrophobicContact CG2-CB 3.71Å; V144-Q181 HydrophobicContact CG2-CG 4.04Å; V144-C185 WeakPolarHBondContact CG2-SG 3.29Å
145	V	90	Very high	93.4	Very high	65 Å²	65	32.1 Å²	32.1	39%	0.394	19%	0.189	S	C	.	.	H	α-helix	trans	-76.4	-33.4	-179.1	-177.3	0	0	0	0	111.6	T94 P141 Y142 L143 S148	T94-V145 HydrophobicContact CG2-CG1 4.2Å; P141-V145 WeakPolarHBondContact O-CG2 3.49Å; Y142-V145 PolarHBondContact O-N 3.36Å; L143-V145 PolarHBondContact O-N 2.91Å; L143-V145 VanDerWaalsContact O-N 3.15Å; V145-S148 PolarHBondContact O-OG 3.19Å
146	R	91.2	Very high	93.5	Very high	16 Å²	16	29.3 Å²	29.3	6%	0.06	17%	0.174	C	C	.	.	H	α-helix	trans	-88	-24.3	-173.9	-61.8	-70.3	-175.3	-86.4	-9.9	113.8	D41 L120 Y142 L143 S148 D149 F152	D41-R146 IonicContact OD2-NH2 3.66Å; D41-R146 PolarHBondContact OD2-NH2 2.86Å; D41-R146 VanDerWaalsContact OD2-NH2 3.14Å; L120-R146 HydrophobicContact CD2-CG 4.01Å; Y142-R146 VanDerWaalsContact O-CG 3.25Å; Y142-R146 WeakPolarHBondContact O-CG 3.38Å; Y142-R146 PolarHBondContact O-N 3.31Å; L143-R146 PolarHBondContact O-N 3.11Å; R146-S148 PolarHBondContact O-N 3.3Å; R146-D149 WeakPolarHBondContact O-CB 3.45Å; R146-D149 PolarHBondContact O-N 3Å; R146-F152 HydrophobicContact CB-CD1 3.5Å; R146-F152 HydrophobicContact CB-CD2 4.28Å; R146-F152 HydrophobicContact CB-CE1 3.69Å; R146-F152 HydrophobicContact CB-CE2 4.44Å; R146-F152 HydrophobicContact CB-CG 3.83Å; R146-F152 HydrophobicContact CB-CZ 4.16Å; R146-F152 WeakPolarHBondContact O-CD1 3.43Å
147	V	91.4	Very high	93.6	Very high	6 Å²	6	31.2 Å²	31.2	4%	0.036	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-25.6	178.3	159.7	0	0	0	0	114.4	L143 C185 G188 L189 W192	L143-V147 HydrophobicContact CD1-CG2 3.97Å; L143-V147 HydrophobicContact CG-CG2 3.93Å; L143-V147 VanDerWaalsContact O-CG2 3.26Å; L143-V147 WeakPolarHBondContact O-CG2 3.27Å; L143-V147 PolarHBondContact O-N 3.06Å; V147-C185 HydrophobicContact CG2-CB 4.16Å; V147-G188 VanDerWaalsContact CG1-CA 3.46Å; V147-L189 HydrophobicContact CB-CG 4.43Å; V147-L189 HydrophobicContact CG1-CD2 4.32Å; V147-L189 HydrophobicContact CG1-CG 3.96Å; V147-L189 HydrophobicContact CG2-CD1 4.14Å; V147-L189 HydrophobicContact CG2-CD2 3.87Å; V147-L189 HydrophobicContact CG2-CG 3.7Å; V147-W192 PolarHBondContact O-NE1 3.43Å
148	S	88.2	Confident	93.5	Very high	33 Å²	33	32.9 Å²	32.9	23%	0.231	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-6.5	175	65.7	0	0	0	0	115.4	H95 V145 R146 K611	H95-S148 PolarHBondContact NE2-O 2.97Å; V145-S148 PolarHBondContact O-OG 3.19Å; R146-S148 PolarHBondContact O-N 3.3Å; S148-K611 VanDerWaalsContact CB-NZ 3.3Å; S148-K611 PolarHBondContact OG-NZ 3.14Å
149	D	91.5	Very high	93.6	Very high	2 Å²	2	32.9 Å²	32.9	1%	0.011	20%	0.198	C	C	.	.	S	Bend	trans	-85.1	129.6	174.1	175.3	-93.1	0	0	0	110.6	H95 Y96 R146 Q151 F152 A153	H95-D149 WeakPolarHBondContact CA-OD2 3.26Å; H95-D149 WeakPolarHBondContact CB-OD2 3.45Å; H95-D149 IonicContact CD2-OD2 3.81Å; H95-D149 IonicContact CG-OD2 2.66Å; Y96-D149 WeakPolarHBondContact CD2-OD1 3.28Å; Y96-D149 PolarHBondContact N-OD2 3.09Å; R146-D149 WeakPolarHBondContact O-CB 3.45Å; R146-D149 PolarHBondContact O-N 3Å; D149-Q151 PolarHBondContact O-N 3.4Å; D149-Q151 WeakPolarHBondContact OD1-CA 3.41Å; D149-Q151 WeakPolarHBondContact OD1-CB 3.27Å; D149-Q151 PolarHBondContact OD1-N 3.16Å; D149-F152 HydrophobicContact CB-CB 4.26Å; D149-F152 PolarHBondContact OD1-N 3.49Å; D149-A153 WeakPolarHBondContact O-CB 3.25Å; D149-A153 PolarHBondContact O-N 2.77Å
150	P	90.9	Very high	93.6	Very high	51 Å²	51	37.9 Å²	37.9	33%	0.331	23%	0.225	S	C	.	.	H	α-helix	trans	-63.3	-39	-177.5	-15.6	24.3	0	0	0	113.9	T154 W192	P150-T154 WeakPolarHBondContact O-CB 3.4Å; P150-T154 VanDerWaalsContact O-CG2 3.28Å; P150-T154 WeakPolarHBondContact O-CG2 3.4Å; P150-T154 PolarHBondContact O-N 2.86Å; P150-T154 PolarHBondContact O-OG1 2.85Å; P150-W192 HydrophobicContact CB-CE3 4.47Å; P150-W192 HydrophobicContact CB-CH2 3.76Å; P150-W192 HydrophobicContact CB-CZ2 4.33Å; P150-W192 HydrophobicContact CB-CZ3 3.82Å; P150-W192 HydrophobicContact CG-CH2 3.6Å; P150-W192 HydrophobicContact CG-CZ2 4.21Å; P150-W192 HydrophobicContact CG-CZ3 4.11Å
151	Q	92.2	Very high	93.7	Very high	57 Å²	57	37.9 Å²	37.9	27%	0.266	23%	0.225	S	C	.	.	H	α-helix	trans	-72	-49.5	-174.5	-171.3	178.5	-14.7	0	0	110.1	P117 D149 T154 T155	P117-Q151 HydrophobicContact CB-CG 4.34Å; P117-Q151 HydrophobicContact CG-CG 3.91Å; D149-Q151 PolarHBondContact O-N 3.4Å; D149-Q151 WeakPolarHBondContact OD1-CA 3.41Å; D149-Q151 WeakPolarHBondContact OD1-CB 3.27Å; D149-Q151 PolarHBondContact OD1-N 3.16Å; Q151-T154 PolarHBondContact O-N 3.34Å; Q151-T154 PolarHBondContact O-OG1 3.16Å; Q151-T154 VanDerWaalsContact O-OG1 3.06Å; Q151-T155 PolarHBondContact O-N 3.41Å; Q151-T155 PolarHBondContact O-OG1 3.03Å
152	F	95.1	Very high	93.9	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-60.7	-46	174	175.9	-90.8	0	0	0	112.3	Y96 L120 L124 L143 R146 D149 T154 T155 F156	Y96-F152 HydrophobicContact CD2-CB 4.22Å; Y96-F152 HydrophobicContact CE2-CB 3.97Å; L120-F152 HydrophobicContact CB-CE2 4.29Å; L120-F152 HydrophobicContact CD2-CD2 4.08Å; L120-F152 HydrophobicContact CD2-CE2 3.93Å; L120-F152 HydrophobicContact CG-CD2 4.41Å; L120-F152 HydrophobicContact CG-CE2 3.89Å; L124-F152 HydrophobicContact CD1-CE2 4.12Å; L124-F152 HydrophobicContact CD1-CZ 3.82Å; L143-F152 HydrophobicContact CD1-CE1 3.78Å; L143-F152 HydrophobicContact CD1-CZ 3.81Å; R146-F152 HydrophobicContact CB-CD1 3.5Å; R146-F152 HydrophobicContact CB-CD2 4.28Å; R146-F152 HydrophobicContact CB-CE1 3.69Å; R146-F152 HydrophobicContact CB-CE2 4.44Å; R146-F152 HydrophobicContact CB-CG 3.83Å; R146-F152 HydrophobicContact CB-CZ 4.16Å; R146-F152 WeakPolarHBondContact O-CD1 3.43Å; D149-F152 HydrophobicContact CB-CB 4.26Å; D149-F152 PolarHBondContact OD1-N 3.49Å; F152-T154 PolarHBondContact O-N 3.14Å; F152-T155 PolarHBondContact O-N 3.2Å; F152-F156 HydrophobicContact CE1-CB 4.08Å; F152-F156 HydrophobicContact CE1-CD2 4.34Å; F152-F156 HydrophobicContact CE1-CG 4.19Å; F152-F156 HydrophobicContact CE2-CD2 4.44Å; F152-F156 HydrophobicContact CZ-CB 4.12Å; F152-F156 AromaticContact CZ-CD2 3.78Å; F152-F156 HydrophobicContact CZ-CD2 3.78Å; F152-F156 HydrophobicContact CZ-CE2 4.45Å; F152-F156 HydrophobicContact CZ-CG 4.07Å; F152-F156 WeakPolarHBondContact O-CB 3.15Å; F152-F156 PolarHBondContact O-N 3.22Å
153	A	95.1	Very high	94	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-61	-46	-179.5	0	0	0	0	0	111.9	D149 F156 I157 L189 W192	D149-A153 WeakPolarHBondContact O-CB 3.25Å; D149-A153 PolarHBondContact O-N 2.77Å; A153-F156 PolarHBondContact O-N 2.84Å; A153-I157 WeakPolarHBondContact O-CB 3.4Å; A153-I157 WeakPolarHBondContact O-CD1 3.42Å; A153-I157 WeakPolarHBondContact O-CG1 3.14Å; A153-I157 PolarHBondContact O-N 3.34Å; A153-L189 HydrophobicContact CB-CD2 4.14Å; A153-W192 HydrophobicContact CB-CB 4.45Å; A153-W192 HydrophobicContact CB-CD2 4.21Å; A153-W192 HydrophobicContact CB-CG 3.76Å
154	T	94.3	Very high	94.2	Very high	74 Å²	74	34.5 Å²	34.5	45%	0.454	21%	0.21	S	C	.	.	H	α-helix	trans	-64.5	-43.7	177.9	54.3	0	0	0	0	112.9	P150 Q151 F152 I157 A158	P150-T154 WeakPolarHBondContact O-CB 3.4Å; P150-T154 VanDerWaalsContact O-CG2 3.28Å; P150-T154 WeakPolarHBondContact O-CG2 3.4Å; P150-T154 PolarHBondContact O-N 2.86Å; P150-T154 PolarHBondContact O-OG1 2.85Å; Q151-T154 PolarHBondContact O-N 3.34Å; Q151-T154 PolarHBondContact O-OG1 3.16Å; Q151-T154 VanDerWaalsContact O-OG1 3.06Å; F152-T154 PolarHBondContact O-N 3.14Å; T154-I157 PolarHBondContact O-N 3.15Å; T154-A158 WeakPolarHBondContact O-CB 3.41Å; T154-A158 PolarHBondContact O-N 3.08Å
155	T	95.5	Very high	94.3	Very high	23 Å²	23	32 Å²	32	14%	0.141	20%	0.195	C	C	.	.	H	α-helix	trans	-63.5	-43.3	175.1	-61.2	0	0	0	0	111.9	E118 Q151 F152 I157 A158 N159	E118-T155 HydrophobicContact CB-CG2 4.33Å; E118-T155 HydrophobicContact CG-CG2 3.91Å; E118-T155 PolarHBondContact OE1-OG1 3.38Å; Q151-T155 PolarHBondContact O-N 3.41Å; Q151-T155 PolarHBondContact O-OG1 3.03Å; F152-T155 PolarHBondContact O-N 3.2Å; T155-I157 PolarHBondContact O-N 3.38Å; T155-A158 PolarHBondContact O-N 3.5Å; T155-N159 PolarHBondContact O-N 2.85Å
156	F	97.2	Very high	94.7	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-65.2	-38.2	178.5	-171.8	-99.1	0	0	0	112.4	S121 L124 I125 L128 L143 F152 A153 N159 G161 V165 L189	S121-F156 WeakPolarHBondContact OG-CA 3.38Å; S121-F156 WeakPolarHBondContact OG-CD2 3.23Å; L124-F156 HydrophobicContact CB-CE2 4.34Å; I125-F156 HydrophobicContact CD1-CD2 4.38Å; I125-F156 HydrophobicContact CD1-CE2 4.37Å; I125-F156 HydrophobicContact CG1-CD2 4.27Å; I125-F156 HydrophobicContact CG1-CE2 3.79Å; I125-F156 HydrophobicContact CG1-CZ 4.45Å; L128-F156 HydrophobicContact CD1-CE2 4.26Å; L128-F156 HydrophobicContact CD1-CZ 3.7Å; L143-F156 HydrophobicContact CD1-CD1 4.46Å; L143-F156 HydrophobicContact CD1-CD2 4.38Å; L143-F156 HydrophobicContact CD1-CE1 4.02Å; L143-F156 HydrophobicContact CD1-CE2 3.94Å; L143-F156 HydrophobicContact CD1-CZ 3.75Å; L143-F156 HydrophobicContact CD2-CZ 4.29Å; F152-F156 HydrophobicContact CE1-CB 4.08Å; F152-F156 HydrophobicContact CE1-CD2 4.34Å; F152-F156 HydrophobicContact CE1-CG 4.19Å; F152-F156 HydrophobicContact CE2-CD2 4.44Å; F152-F156 HydrophobicContact CZ-CB 4.12Å; F152-F156 AromaticContact CZ-CD2 3.78Å; F152-F156 HydrophobicContact CZ-CD2 3.78Å; F152-F156 HydrophobicContact CZ-CE2 4.45Å; F152-F156 HydrophobicContact CZ-CG 4.07Å; F152-F156 WeakPolarHBondContact O-CB 3.15Å; F152-F156 PolarHBondContact O-N 3.22Å; A153-F156 PolarHBondContact O-N 2.84Å; F156-N159 PolarHBondContact O-N 2.79Å; F156-G161 VanDerWaalsContact O-CA 3.31Å; F156-G161 WeakPolarHBondContact O-CA 3.3Å; F156-G161 PolarHBondContact O-N 2.63Å; F156-V165 HydrophobicContact CE1-CG2 4.22Å; F156-V165 HydrophobicContact CZ-CG2 4.47Å; F156-L189 HydrophobicContact CD1-CD1 3.71Å; F156-L189 HydrophobicContact CD1-CD2 3.86Å; F156-L189 HydrophobicContact CD1-CG 4.47Å; F156-L189 HydrophobicContact CE1-CD1 3.57Å
157	I	96.6	Very high	94.9	Very high	45 Å²	45	32.8 Å²	32.8	23%	0.231	20%	0.198	C	C	.	.	H	α-helix	trans	-67.8	-43.4	174.1	-69.5	162.8	0	0	0	110.8	A153 T154 T155 N159 N160 L162 L189 W192 T193	A153-I157 WeakPolarHBondContact O-CB 3.4Å; A153-I157 WeakPolarHBondContact O-CD1 3.42Å; A153-I157 WeakPolarHBondContact O-CG1 3.14Å; A153-I157 PolarHBondContact O-N 3.34Å; T154-I157 PolarHBondContact O-N 3.15Å; T155-I157 PolarHBondContact O-N 3.38Å; I157-N159 PolarHBondContact O-N 2.89Å; I157-N160 WeakPolarHBondContact O-CA 3.46Å; I157-N160 PolarHBondContact O-N 3.27Å; I157-L162 HydrophobicContact CG1-CB 4.22Å; I157-L189 HydrophobicContact CD1-CD2 4.35Å; I157-L189 WeakPolarHBondContact CD1-O 3.45Å; I157-L189 HydrophobicContact CG1-CD2 4.23Å; I157-W192 HydrophobicContact CD1-CB 3.81Å; I157-T193 HydrophobicContact CD1-CG2 4.17Å; I157-T193 HydrophobicContact CG2-CG2 4.43Å
158	A	96	Very high	95.2	Very high	81 Å²	81	32.8 Å²	32.8	67%	0.669	20%	0.198	S	C	*	.	H	α-helix	trans	-59.4	-34.9	177	0	0	0	0	0	112.6	T154 T155 N160	T154-A158 WeakPolarHBondContact O-CB 3.41Å; T154-A158 PolarHBondContact O-N 3.08Å; T155-A158 PolarHBondContact O-N 3.5Å; A158-N160 PolarHBondContact O-N 3.41Å
159	N	95.6	Very high	95.6	Very high	70 Å²	70	31.5 Å²	31.5	37%	0.374	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	19.4	174.7	-67.8	0.3	0	0	0	113.5	D122 I125 T155 F156 I157 G161	D122-N159 PolarHBondContact OD1-ND2 3.01Å; I125-N159 HydrophobicContact CD1-CB 3.48Å; I125-N159 VanDerWaalsContact CD1-CB 3.48Å; I125-N159 WeakPolarHBondContact CD1-O 3.46Å; T155-N159 PolarHBondContact O-N 2.85Å; F156-N159 PolarHBondContact O-N 2.79Å; I157-N159 PolarHBondContact O-N 2.89Å; N159-G161 PolarHBondContact O-N 2.88Å
160	N	96.3	Very high	95.8	Very high	105 Å²	105	35.7 Å²	35.7	56%	0.561	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.9	20.5	-179.3	-168.9	37.5	0	0	0	115.1	I157 A158 L162 G163 I164	I157-N160 WeakPolarHBondContact O-CA 3.46Å; I157-N160 PolarHBondContact O-N 3.27Å; A158-N160 PolarHBondContact O-N 3.41Å; N160-L162 VanDerWaalsContact C-N 3.29Å; N160-L162 PolarHBondContact O-N 2.83Å; N160-G163 PolarHBondContact O-N 2.92Å; N160-G163 VanDerWaalsContact O-N 3.12Å; N160-I164 WeakPolarHBondContact O-CG1 3.42Å; N160-I164 PolarHBondContact O-N 3.48Å; N160-I164 VanDerWaalsContact O-N 3.13Å
161	G	96.7	Very high	95.9	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-59.9	-35.9	179.1	0	0	0	0	0	113.5	F156 N159 I164 V165	F156-G161 VanDerWaalsContact O-CA 3.31Å; F156-G161 WeakPolarHBondContact O-CA 3.3Å; F156-G161 PolarHBondContact O-N 2.63Å; N159-G161 PolarHBondContact O-N 2.88Å; G161-I164 PolarHBondContact O-N 2.88Å; G161-V165 WeakPolarHBondContact O-CG2 3.32Å; G161-V165 PolarHBondContact O-N 3.13Å
162	L	96.6	Very high	95.9	Very high	6 Å²	6	39.1 Å²	39.1	3%	0.031	23%	0.231	C	C	.	.	H	α-helix	trans	-66.2	-39	174.6	178.9	56.1	0	0	0	112.5	I157 N160 I164 V165 M166 F186 L189 L190 T193 L199	I157-L162 HydrophobicContact CG1-CB 4.22Å; N160-L162 VanDerWaalsContact C-N 3.29Å; N160-L162 PolarHBondContact O-N 2.83Å; L162-I164 VanDerWaalsContact C-N 3.31Å; L162-I164 PolarHBondContact O-N 3.06Å; L162-V165 PolarHBondContact O-N 3.39Å; L162-M166 HydrophobicContact CD1-CG 4.39Å; L162-M166 HydrophobicContact CG-CE 4.3Å; L162-M166 WeakPolarHBondContact O-CG 3.35Å; L162-M166 PolarHBondContact O-N 2.95Å; L162-F186 HydrophobicContact CD1-CD2 3.99Å; L162-L189 HydrophobicContact CD1-CB 3.91Å; L162-L189 HydrophobicContact CD1-CD1 4.37Å; L162-L190 HydrophobicContact CD2-CD1 4.11Å; L162-T193 HydrophobicContact CD2-CG2 3.67Å; L162-L199 HydrophobicContact CD2-CD2 3.68Å; L162-L199 HydrophobicContact CG-CD2 4.44Å
163	G	96.6	Very high	95.8	Very high	21 Å²	21	42.2 Å²	42.2	22%	0.216	25%	0.247	C	C	.	.	H	α-helix	trans	-63.4	-37.2	174.2	0	0	0	0	0	112.5	N160 N167	N160-G163 PolarHBondContact O-N 2.92Å; N160-G163 VanDerWaalsContact O-N 3.12Å; G163-N167 WeakPolarHBondContact O-CB 3.42Å; G163-N167 PolarHBondContact O-N 3.46Å; G163-N167 VanDerWaalsContact O-N 3.08Å
164	I	97.2	Very high	95.8	Very high	17 Å²	17	42.6 Å²	42.6	9%	0.087	25%	0.248	C	C	.	.	H	α-helix	trans	-66	-45.4	174.1	-64.2	163.9	0	0	0	110.9	I125 L128 L129 N160 G161 L162 M166 N167 I168	I125-I164 HydrophobicContact CG1-CD1 4.27Å; I125-I164 HydrophobicContact CG2-CD1 3.8Å; L128-I164 HydrophobicContact CB-CG2 3.81Å; L129-I164 HydrophobicContact CD1-CD1 4.06Å; L129-I164 HydrophobicContact CD2-CD1 3.95Å; L129-I164 HydrophobicContact CD2-CG1 3.98Å; L129-I164 HydrophobicContact CD2-CG2 4.1Å; L129-I164 HydrophobicContact CG-CD1 3.97Å; L129-I164 HydrophobicContact CG-CG2 4.44Å; N160-I164 WeakPolarHBondContact O-CG1 3.42Å; N160-I164 PolarHBondContact O-N 3.48Å; N160-I164 VanDerWaalsContact O-N 3.13Å; G161-I164 PolarHBondContact O-N 2.88Å; L162-I164 VanDerWaalsContact C-N 3.31Å; L162-I164 PolarHBondContact O-N 3.06Å; I164-M166 PolarHBondContact O-N 2.92Å; I164-N167 PolarHBondContact O-N 3.43Å; I164-I168 HydrophobicContact CG2-CD1 3.87Å; I164-I168 WeakPolarHBondContact O-CG1 3.4Å; I164-I168 PolarHBondContact O-N 2.88Å
165	V	97.2	Very high	95.8	Very high	0 Å²	0	43 Å²	43	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-57.9	-45.7	175.8	163.7	0	0	0	0	111.7	L128 L143 F156 G161 L162 I168 L169 M182 F186 L189	L128-V165 HydrophobicContact CD1-CG2 4.47Å; L143-V165 HydrophobicContact CD2-CG2 4.29Å; F156-V165 HydrophobicContact CE1-CG2 4.22Å; F156-V165 HydrophobicContact CZ-CG2 4.47Å; G161-V165 WeakPolarHBondContact O-CG2 3.32Å; G161-V165 PolarHBondContact O-N 3.13Å; L162-V165 PolarHBondContact O-N 3.39Å; V165-I168 PolarHBondContact O-N 3.1Å; V165-L169 HydrophobicContact CG1-CD1 4.4Å; V165-L169 WeakPolarHBondContact O-CG 3.33Å; V165-L169 PolarHBondContact O-N 3.28Å; V165-L169 VanDerWaalsContact O-N 3.13Å; V165-M182 HydrophobicContact CB-SD 4.21Å; V165-M182 HydrophobicContact CG1-CG 4.38Å; V165-M182 HydrophobicContact CG1-SD 3.77Å; V165-M182 HydrophobicContact CG2-SD 3.89Å; V165-F186 HydrophobicContact CG1-CB 3.73Å; V165-L189 HydrophobicContact CG2-CD1 4.31Å
166	M	97.3	Very high	95.7	Very high	26 Å²	26	45.8 Å²	45.8	13%	0.128	26%	0.262	C	S	.	.	H	α-helix	trans	-61.5	-45.5	176.6	-69.9	-172.2	-65	0	0	111.9	L162 I164 I168 L169 E170 F186 L199 P200 L204	L162-M166 HydrophobicContact CD1-CG 4.39Å; L162-M166 HydrophobicContact CG-CE 4.3Å; L162-M166 WeakPolarHBondContact O-CG 3.35Å; L162-M166 PolarHBondContact O-N 2.95Å; I164-M166 PolarHBondContact O-N 2.92Å; M166-I168 VanDerWaalsContact C-N 3.34Å; M166-I168 PolarHBondContact O-N 2.96Å; M166-L169 WeakPolarHBondContact O-CB 3.39Å; M166-L169 PolarHBondContact O-N 3.45Å; M166-E170 WeakPolarHBondContact O-CG 3.39Å; M166-E170 PolarHBondContact O-N 3.32Å; M166-F186 HydrophobicContact CG-CD2 3.9Å; M166-F186 HydrophobicContact CG-CE2 3.76Å; M166-F186 HydrophobicContact SD-CE2 3.99Å; M166-L199 HydrophobicContact CE-CD2 4.32Å; M166-L199 HydrophobicContact CE-CG 4.3Å; M166-P200 HydrophobicContact SD-CB 4.32Å; M166-P200 HydrophobicContact SD-CG 4.45Å; M166-L204 HydrophobicContact CB-CD2 3.88Å; M166-L204 HydrophobicContact CG-CD2 3.72Å; M166-L204 HydrophobicContact SD-CD2 4.23Å
167	N	96.3	Very high	95.6	Very high	72 Å²	72	49.2 Å²	49.2	39%	0.385	28%	0.28	S	S	.	.	H	α-helix	trans	-61.3	-38.2	177.2	-174.7	-10	0	0	0	112.6	G163 I164 E170 K171	G163-N167 WeakPolarHBondContact O-CB 3.42Å; G163-N167 PolarHBondContact O-N 3.46Å; G163-N167 VanDerWaalsContact O-N 3.08Å; I164-N167 PolarHBondContact O-N 3.43Å; N167-E170 PolarHBondContact O-N 2.99Å; N167-K171 WeakPolarHBondContact O-CB 3.18Å; N167-K171 VanDerWaalsContact O-CG 3.27Å; N167-K171 WeakPolarHBondContact O-CG 3.44Å; N167-K171 PolarHBondContact O-N 3.21Å; N167-K171 WeakPolarHBondContact OD1-CD 3.39Å; N167-K171 WeakPolarHBondContact OD1-CE 3.24Å; N167-K171 PolarHBondContact OD1-NZ 2.83Å
168	I	96.7	Very high	95.6	Very high	6 Å²	6	48.6 Å²	48.6	3%	0.031	28%	0.279	C	S	.	.	H	α-helix	trans	-66.1	-39.6	175.8	-67.4	163.6	0	0	0	111.4	L128 I136 I164 V165 M166 G172 I173 L174 M182	L128-I168 HydrophobicContact CB-CD1 3.97Å; L128-I168 HydrophobicContact CD2-CD1 3.88Å; L128-I168 HydrophobicContact CG-CD1 4.45Å; L128-I168 WeakPolarHBondContact O-CD1 3.31Å; I136-I168 HydrophobicContact CG2-CD1 4.24Å; I136-I168 HydrophobicContact CG2-CG2 4.37Å; I164-I168 HydrophobicContact CG2-CD1 3.87Å; I164-I168 WeakPolarHBondContact O-CG1 3.4Å; I164-I168 PolarHBondContact O-N 2.88Å; V165-I168 PolarHBondContact O-N 3.1Å; M166-I168 VanDerWaalsContact C-N 3.34Å; M166-I168 PolarHBondContact O-N 2.96Å; I168-G172 PolarHBondContact O-N 2.66Å; I168-I173 HydrophobicContact CG2-CD1 4.13Å; I168-I173 HydrophobicContact CG2-CG1 4.06Å; I168-L174 HydrophobicContact CG2-CD1 3.83Å; I168-L174 HydrophobicContact CG2-CG 4.17Å; I168-M182 HydrophobicContact CB-CE 4.18Å; I168-M182 HydrophobicContact CD1-CE 3.84Å; I168-M182 HydrophobicContact CG2-CE 3.73Å
169	L	96.4	Very high	95.6	Very high	5 Å²	5	45 Å²	45	3%	0.026	25%	0.248	C	C	.	.	H	α-helix	trans	-64.5	-48.9	174.6	-70	170.5	0	0	0	111.3	V165 M166 K171 G172 L179 M182 L183 F186 L204 L207	V165-L169 HydrophobicContact CG1-CD1 4.4Å; V165-L169 WeakPolarHBondContact O-CG 3.33Å; V165-L169 PolarHBondContact O-N 3.28Å; V165-L169 VanDerWaalsContact O-N 3.13Å; M166-L169 WeakPolarHBondContact O-CB 3.39Å; M166-L169 PolarHBondContact O-N 3.45Å; L169-K171 VanDerWaalsContact C-N 3.27Å; L169-K171 PolarHBondContact O-N 3.05Å; L169-G172 PolarHBondContact O-N 3.15Å; L169-L179 HydrophobicContact CD2-CD1 3.81Å; L169-M182 HydrophobicContact CD1-CG 4.45Å; L169-M182 HydrophobicContact CD2-CB 4.04Å; L169-M182 HydrophobicContact CD2-CG 3.65Å; L169-M182 HydrophobicContact CG-CG 3.85Å; L169-L183 HydrophobicContact CD1-CD2 4.13Å; L169-L183 HydrophobicContact CD2-CD2 3.8Å; L169-L183 HydrophobicContact CD2-CG 4.05Å; L169-F186 HydrophobicContact CD1-CB 3.77Å; L169-F186 HydrophobicContact CD1-CD1 4.24Å; L169-F186 HydrophobicContact CD1-CD2 4.39Å; L169-F186 HydrophobicContact CD1-CG 3.88Å; L169-L204 HydrophobicContact CB-CD1 3.63Å; L169-L204 HydrophobicContact CD1-CD1 4.2Å; L169-L207 VanDerWaalsContact O-CD2 3.27Å; L169-L207 WeakPolarHBondContact O-CD2 3.37Å
170	E	95.1	Very high	95.7	Very high	91 Å²	91	41.8 Å²	41.8	43%	0.425	23%	0.232	S	C	.	.	H	α-helix	trans	-60.8	-32.8	178.6	-71.5	177.1	157.4	0	0	113.1	M166 N167 G172 S201 L204	M166-E170 WeakPolarHBondContact O-CG 3.39Å; M166-E170 PolarHBondContact O-N 3.32Å; N167-E170 PolarHBondContact O-N 2.99Å; E170-G172 VanDerWaalsContact C-N 3.28Å; E170-G172 PolarHBondContact O-N 2.7Å; E170-S201 WeakPolarHBondContact OE1-CB 3.4Å; E170-S201 PolarHBondContact OE1-OG 3.45Å; E170-L204 HydrophobicContact CG-CB 4.04Å; E170-L204 HydrophobicContact CG-CD1 4.24Å
171	K	93.6	Very high	95.7	Very high	129 Å²	129	38.8 Å²	38.8	56%	0.561	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70	-18.3	174.3	-78.4	169.5	173.3	163.9	0	114.5	N167 L169 I173	N167-K171 WeakPolarHBondContact O-CB 3.18Å; N167-K171 VanDerWaalsContact O-CG 3.27Å; N167-K171 WeakPolarHBondContact O-CG 3.44Å; N167-K171 PolarHBondContact O-N 3.21Å; N167-K171 WeakPolarHBondContact OD1-CD 3.39Å; N167-K171 WeakPolarHBondContact OD1-CE 3.24Å; N167-K171 PolarHBondContact OD1-NZ 2.83Å; L169-K171 VanDerWaalsContact C-N 3.27Å; L169-K171 PolarHBondContact O-N 3.05Å; K171-I173 VanDerWaalsContact C-N 3.3Å; K171-I173 HydrophobicContact CB-CG2 4.15Å; K171-I173 PolarHBondContact O-N 3.02Å
172	G	92.8	Very high	95.7	Very high	51 Å²	51	38.8 Å²	38.8	53%	0.526	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.3	27.4	177.6	0	0	0	0	0	115.4	I168 L169 E170	I168-G172 PolarHBondContact O-N 2.66Å; L169-G172 PolarHBondContact O-N 3.15Å; E170-G172 VanDerWaalsContact C-N 3.28Å; E170-G172 PolarHBondContact O-N 2.7Å
173	I	93.6	Very high	95.8	Very high	65 Å²	65	38.5 Å²	38.5	33%	0.333	21%	0.212	S	C	.	.			trans	-83.8	-8.5	-175.8	58.5	172.7	0	0	0	114.7	I136 I168 K171	I136-I173 HydrophobicContact CD1-CD1 3.61Å; I168-I173 HydrophobicContact CG2-CD1 4.13Å; I168-I173 HydrophobicContact CG2-CG1 4.06Å; K171-I173 VanDerWaalsContact C-N 3.3Å; K171-I173 HydrophobicContact CB-CG2 4.15Å; K171-I173 PolarHBondContact O-N 3.02Å
174	L	94.6	Very high	95.7	Very high	7 Å²	7	39.5 Å²	39.5	4%	0.037	22%	0.216	C	C	.	.			trans	-110.9	141.7	-178.8	-60	179.9	0	0	0	111	V133 I136 V137 L140 I168 P178 L179 M182	V133-L174 HydrophobicContact CG1-CD2 3.91Å; I136-L174 HydrophobicContact CG2-CD1 4.39Å; I136-L174 HydrophobicContact CG2-CD2 4.27Å; V137-L174 HydrophobicContact CG2-CD2 4.1Å; L140-L174 HydrophobicContact CD1-CD1 4.3Å; I168-L174 HydrophobicContact CG2-CD1 3.83Å; I168-L174 HydrophobicContact CG2-CG 4.17Å; L174-P178 HydrophobicContact CB-CB 4.37Å; L174-P178 HydrophobicContact CD2-CB 4.17Å; L174-L179 HydrophobicContact CB-CB 4.2Å; L174-M182 HydrophobicContact CD1-CB 3.77Å; L174-M182 HydrophobicContact CD1-CE 3.88Å; L174-M182 HydrophobicContact CD1-CG 4.05Å
175	N	93.4	Very high	95.7	Very high	84 Å²	84	38.7 Å²	38.7	45%	0.449	21%	0.212	S	C	.	.			trans	-123	170.3	175.3	-64.1	-57.5	0	0	0	110.9	L177 P178 L179 L218	N175-L177 PolarHBondContact O-N 3.45Å; N175-P178 VanDerWaalsContact O-CD 3.26Å; N175-P178 WeakPolarHBondContact O-CD 3.39Å; N175-L179 PolarHBondContact O-N 3.37Å; N175-L218 HydrophobicContact CB-CD2 4.45Å
176	D	93.9	Very high	95.7	Very high	81 Å²	81	38.7 Å²	38.7	43%	0.433	21%	0.212	S	C	.	.	H	α-helix	trans	44.8	-122.6	168.2	-56.7	-37.5	0	0	0	115.7	L179 S180 H220 V223	D176-L179 PolarHBondContact O-N 3.41Å; D176-S180 PolarHBondContact O-N 2.73Å; D176-H220 HydrophobicContact CB-CB 4.33Å; D176-H220 WeakPolarHBondContact OD1-CB 3.42Å; D176-H220 IonicContact OD1-CD2 3.57Å; D176-H220 IonicContact OD1-CG 3.48Å; D176-V223 WeakPolarHBondContact O-CG2 3.3Å
177	L	94.8	Very high	95.6	Very high	72 Å²	72	39.7 Å²	39.7	38%	0.377	22%	0.217	S	C	.	.	H	α-helix	trans	-63.3	-50.4	-176.6	179.8	68.6	0	0	0	112.2	N175 L179 S180 Q181 K222	N175-L177 PolarHBondContact O-N 3.45Å; L177-L179 VanDerWaalsContact C-N 3.31Å; L177-L179 PolarHBondContact O-N 2.77Å; L177-S180 PolarHBondContact O-N 2.93Å; L177-S180 VanDerWaalsContact O-N 3.12Å; L177-S180 PolarHBondContact O-OG 3.5Å; L177-Q181 WeakPolarHBondContact O-CG 3.43Å; L177-Q181 PolarHBondContact O-N 3.14Å; L177-K222 HydrophobicContact CD1-CD 3.73Å
178	P	96.5	Very high	95.5	Very high	31 Å²	31	37.7 Å²	37.7	20%	0.201	21%	0.212	C	C	.	.	H	α-helix	trans	-51	-43.8	171.6	-31.3	35.8	0	0	0	114.6	V137 L140 L174 N175 Q181 M182	V137-P178 HydrophobicContact CG1-CG 4.17Å; V137-P178 HydrophobicContact CG2-CB 4.07Å; V137-P178 HydrophobicContact CG2-CG 4Å; L140-P178 HydrophobicContact CD1-CB 3.73Å; L140-P178 WeakPolarHBondContact CD1-O 3.26Å; L174-P178 HydrophobicContact CB-CB 4.37Å; L174-P178 HydrophobicContact CD2-CB 4.17Å; N175-P178 VanDerWaalsContact O-CD 3.26Å; N175-P178 WeakPolarHBondContact O-CD 3.39Å; P178-Q181 PolarHBondContact O-N 3.3Å; P178-M182 PolarHBondContact O-N 3.04Å
179	L	96.9	Very high	95.5	Very high	5 Å²	5	37.4 Å²	37.4	3%	0.026	21%	0.211	C	C	.	.	H	α-helix	trans	-63.2	-44.7	177.2	179	59.8	0	0	0	111.6	L169 L174 N175 D176 L177 Q181 M182 L183 F211 L218 V223	L169-L179 HydrophobicContact CD2-CD1 3.81Å; L174-L179 HydrophobicContact CB-CB 4.2Å; N175-L179 PolarHBondContact O-N 3.37Å; D176-L179 PolarHBondContact O-N 3.41Å; L177-L179 VanDerWaalsContact C-N 3.31Å; L177-L179 PolarHBondContact O-N 2.77Å; L179-Q181 VanDerWaalsContact C-N 3.28Å; L179-Q181 PolarHBondContact O-N 3.15Å; L179-M182 PolarHBondContact O-N 3.27Å; L179-L183 HydrophobicContact CD1-CD1 4.29Å; L179-L183 HydrophobicContact CD1-CG 4.26Å; L179-L183 HydrophobicContact CG-CD1 4.13Å; L179-L183 WeakPolarHBondContact O-CG 3.44Å; L179-L183 PolarHBondContact O-N 3.13Å; L179-F211 HydrophobicContact CD1-CE2 4.47Å; L179-F211 HydrophobicContact CD1-CZ 4.24Å; L179-F211 HydrophobicContact CD2-CD1 4.45Å; L179-F211 HydrophobicContact CD2-CE1 3.92Å; L179-F211 HydrophobicContact CD2-CE2 4.37Å; L179-F211 HydrophobicContact CD2-CZ 3.88Å; L179-L218 HydrophobicContact CD2-CD1 3.66Å; L179-V223 HydrophobicContact CB-CG2 4.13Å; L179-V223 HydrophobicContact CD2-CG1 3.81Å; L179-V223 HydrophobicContact CD2-CG2 4.1Å; L179-V223 HydrophobicContact CG-CG1 4.2Å; L179-V223 HydrophobicContact CG-CG2 4.16Å
180	S	96.3	Very high	95.4	Very high	4 Å²	4	37.2 Å²	37.2	3%	0.028	21%	0.21	C	C	.	.	H	α-helix	trans	-63	-34.4	177.4	70.3	0	0	0	0	113	D176 L177 S184 K222	D176-S180 PolarHBondContact O-N 2.73Å; L177-S180 PolarHBondContact O-N 2.93Å; L177-S180 VanDerWaalsContact O-N 3.12Å; L177-S180 PolarHBondContact O-OG 3.5Å; S180-S184 WeakPolarHBondContact O-CB 3.49Å; S180-S184 PolarHBondContact O-N 3.09Å; S180-S184 VanDerWaalsContact O-N 3.08Å; S180-S184 PolarHBondContact O-OG 2.94Å; S180-K222 WeakPolarHBondContact CB-O 3.44Å
181	Q	96.9	Very high	95.2	Very high	41 Å²	41	35.6 Å²	35.6	19%	0.192	22%	0.218	C	C	.	.	H	α-helix	trans	-68.7	-45.8	174	-71.5	175.7	-59.4	0	0	111	L140 V144 L177 P178 L179 L183 S184 C185	L140-Q181 HydrophobicContact CB-CB 4.13Å; L140-Q181 HydrophobicContact CD1-CB 4.2Å; L140-Q181 HydrophobicContact CD2-CB 4.34Å; L140-Q181 HydrophobicContact CG-CB 4.47Å; V144-Q181 HydrophobicContact CG2-CB 3.71Å; V144-Q181 HydrophobicContact CG2-CG 4.04Å; L177-Q181 WeakPolarHBondContact O-CG 3.43Å; L177-Q181 PolarHBondContact O-N 3.14Å; P178-Q181 PolarHBondContact O-N 3.3Å; L179-Q181 VanDerWaalsContact C-N 3.28Å; L179-Q181 PolarHBondContact O-N 3.15Å; Q181-L183 PolarHBondContact O-N 3.26Å; Q181-S184 WeakPolarHBondContact O-CB 3.3Å; Q181-S184 PolarHBondContact O-N 3.22Å; Q181-S184 VanDerWaalsContact O-N 3.12Å; Q181-C185 PolarHBondContact O-N 3.1Å; Q181-C185 PolarHBondContact O-SG 3.15Å
182	M	97.6	Very high	95.1	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-62.6	-41.9	178.2	-169.9	60.5	88.7	0	0	112.2	L128 I136 L140 V165 I168 L169 L174 P178 L179 S184 C185 F186	L128-M182 HydrophobicContact CD2-CE 3.74Å; I136-M182 HydrophobicContact CG2-CE 4.11Å; L140-M182 HydrophobicContact CD2-CB 4.07Å; L140-M182 HydrophobicContact CD2-CE 3.69Å; L140-M182 HydrophobicContact CD2-SD 3.92Å; V165-M182 HydrophobicContact CB-SD 4.21Å; V165-M182 HydrophobicContact CG1-CG 4.38Å; V165-M182 HydrophobicContact CG1-SD 3.77Å; V165-M182 HydrophobicContact CG2-SD 3.89Å; I168-M182 HydrophobicContact CB-CE 4.18Å; I168-M182 HydrophobicContact CD1-CE 3.84Å; I168-M182 HydrophobicContact CG2-CE 3.73Å; L169-M182 HydrophobicContact CD1-CG 4.45Å; L169-M182 HydrophobicContact CD2-CB 4.04Å; L169-M182 HydrophobicContact CD2-CG 3.65Å; L169-M182 HydrophobicContact CG-CG 3.85Å; L174-M182 HydrophobicContact CD1-CB 3.77Å; L174-M182 HydrophobicContact CD1-CE 3.88Å; L174-M182 HydrophobicContact CD1-CG 4.05Å; P178-M182 PolarHBondContact O-N 3.04Å; L179-M182 PolarHBondContact O-N 3.27Å; M182-S184 VanDerWaalsContact C-N 3.31Å; M182-S184 PolarHBondContact O-N 3.21Å; M182-C185 WeakPolarHBondContact O-CB 3.38Å; M182-C185 PolarHBondContact O-N 2.93Å; M182-F186 WeakPolarHBondContact O-CB 3.47Å; M182-F186 PolarHBondContact O-N 3.13Å
183	L	97.3	Very high	95.1	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-61.7	-38.1	172.9	-71.7	170.2	0	0	0	112.1	L169 L179 Q181 F186 H187 I208 F211 V223 V226 I230	L169-L183 HydrophobicContact CD1-CD2 4.13Å; L169-L183 HydrophobicContact CD2-CD2 3.8Å; L169-L183 HydrophobicContact CD2-CG 4.05Å; L179-L183 HydrophobicContact CD1-CD1 4.29Å; L179-L183 HydrophobicContact CD1-CG 4.26Å; L179-L183 HydrophobicContact CG-CD1 4.13Å; L179-L183 WeakPolarHBondContact O-CG 3.44Å; L179-L183 PolarHBondContact O-N 3.13Å; Q181-L183 PolarHBondContact O-N 3.26Å; L183-F186 PolarHBondContact O-N 3.31Å; L183-H187 WeakPolarHBondContact O-CB 3.4Å; L183-H187 PolarHBondContact O-N 3.49Å; L183-I208 HydrophobicContact CD2-CD1 4.2Å; L183-I208 HydrophobicContact CD2-CG1 3.99Å; L183-F211 HydrophobicContact CD1-CD2 4.27Å; L183-F211 HydrophobicContact CD1-CE2 4.25Å; L183-F211 HydrophobicContact CD2-CE2 4.46Å; L183-V223 HydrophobicContact CD1-CG1 4.04Å; L183-V226 HydrophobicContact CB-CG1 3.65Å; L183-I230 HydrophobicContact CB-CD1 4.18Å; L183-I230 HydrophobicContact CD2-CD1 4.25Å
184	S	96.1	Very high	94.9	Very high	43 Å²	43	40.3 Å²	40.3	30%	0.301	22%	0.224	S	C	.	.	H	α-helix	trans	-66.7	-40	175.9	-57	0	0	0	0	111.9	S180 Q181 M182 G188	S180-S184 WeakPolarHBondContact O-CB 3.49Å; S180-S184 PolarHBondContact O-N 3.09Å; S180-S184 VanDerWaalsContact O-N 3.08Å; S180-S184 PolarHBondContact O-OG 2.94Å; Q181-S184 WeakPolarHBondContact O-CB 3.3Å; Q181-S184 PolarHBondContact O-N 3.22Å; Q181-S184 VanDerWaalsContact O-N 3.12Å; M182-S184 VanDerWaalsContact C-N 3.31Å; M182-S184 PolarHBondContact O-N 3.21Å; S184-G188 PolarHBondContact O-N 2.96Å
185	C	96.7	Very high	94.5	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-63.3	-47.5	173.8	-66	0	0	0	0	111.4	L143 V144 V147 Q181 M182 G188 L189	L143-C185 HydrophobicContact CD2-CB 3.85Å; L143-C185 HydrophobicContact CG-CB 4.12Å; L143-C185 VanDerWaalsContact CG-SG 3.57Å; V144-C185 WeakPolarHBondContact CG2-SG 3.29Å; V147-C185 HydrophobicContact CG2-CB 4.16Å; Q181-C185 PolarHBondContact O-N 3.1Å; Q181-C185 PolarHBondContact O-SG 3.15Å; M182-C185 WeakPolarHBondContact O-CB 3.38Å; M182-C185 PolarHBondContact O-N 2.93Å; C185-G188 PolarHBondContact O-N 2.99Å; C185-L189 VanDerWaalsContact O-CB 3.31Å; C185-L189 WeakPolarHBondContact O-CB 3.25Å; C185-L189 VanDerWaalsContact O-CG 3.22Å; C185-L189 WeakPolarHBondContact O-CG 3.27Å; C185-L189 PolarHBondContact O-N 3.45Å
186	F	97.3	Very high	94.4	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-55.3	-52.1	175.4	166.4	-111.8	0	0	0	111.7	L162 V165 M166 L169 M182 L183 G188 L189 L190 W197 P200 L204 I208 I230	L162-F186 HydrophobicContact CD1-CD2 3.99Å; V165-F186 HydrophobicContact CG1-CB 3.73Å; M166-F186 HydrophobicContact CG-CD2 3.9Å; M166-F186 HydrophobicContact CG-CE2 3.76Å; M166-F186 HydrophobicContact SD-CE2 3.99Å; L169-F186 HydrophobicContact CD1-CB 3.77Å; L169-F186 HydrophobicContact CD1-CD1 4.24Å; L169-F186 HydrophobicContact CD1-CD2 4.39Å; L169-F186 HydrophobicContact CD1-CG 3.88Å; M182-F186 WeakPolarHBondContact O-CB 3.47Å; M182-F186 PolarHBondContact O-N 3.13Å; L183-F186 PolarHBondContact O-N 3.31Å; F186-G188 PolarHBondContact O-N 2.83Å; F186-L189 PolarHBondContact O-N 2.9Å; F186-L190 HydrophobicContact CE2-CD2 4.44Å; F186-L190 HydrophobicContact CZ-CD2 4.17Å; F186-L190 WeakPolarHBondContact O-CB 3.28Å; F186-L190 PolarHBondContact O-N 2.93Å; F186-W197 HydrophobicContact CE1-CH2 4.02Å; F186-W197 AromaticContact CE1-CZ3 3.73Å; F186-W197 HydrophobicContact CE1-CZ3 3.73Å; F186-W197 HydrophobicContact CZ-CH2 4.46Å; F186-W197 AromaticContact CZ-CZ3 3.83Å; F186-W197 HydrophobicContact CZ-CZ3 3.83Å; F186-P200 HydrophobicContact CE2-CB 4.45Å; F186-P200 HydrophobicContact CE2-CG 3.99Å; F186-P200 HydrophobicContact CZ-CB 4.12Å; F186-P200 HydrophobicContact CZ-CG 3.72Å; F186-L204 HydrophobicContact CE2-CD2 4.05Å; F186-L204 HydrophobicContact CZ-CD2 4.09Å; F186-I208 HydrophobicContact CD1-CD1 4.31Å; F186-I208 HydrophobicContact CE1-CD1 3.76Å; F186-I230 HydrophobicContact CD1-CD1 4.22Å
187	H	95.8	Very high	94.4	Very high	47 Å²	47	40.6 Å²	40.6	22%	0.218	22%	0.222	C	C	.	.	H	α-helix	trans	-60	-48.4	-179.6	-174.9	-153.5	0	0	0	112.2	L183 L189 L190 G191 W197 I230 D233	L183-H187 WeakPolarHBondContact O-CB 3.4Å; L183-H187 PolarHBondContact O-N 3.49Å; H187-L189 PolarHBondContact O-N 3.18Å; H187-L190 PolarHBondContact O-N 3.07Å; H187-G191 PolarHBondContact O-N 2.89Å; H187-W197 AromaticContact CD2-CH2 3.99Å; H187-W197 AromaticContact CD2-CZ2 3.59Å; H187-W197 AromaticContact NE2-CZ2 3.93Å; H187-I230 HydrophobicContact CB-CD1 4.14Å; H187-I230 HydrophobicContact CB-CG1 3.84Å; H187-D233 IonicContact CD2-OD2 3.18Å; H187-D233 IonicContact CE1-OD2 2.72Å; H187-D233 IonicContact NE2-OD2 3.78Å; H187-D233 PolarHBondContact NE2-OD2 3.36Å
188	G	93.8	Very high	94.3	Very high	29 Å²	29	41.3 Å²	41.3	30%	0.299	23%	0.226	S	C	.	.	H	α-helix	trans	-68.8	-32.1	-178.8	0	0	0	0	0	113.9	V147 S184 C185 F186 W192	V147-G188 VanDerWaalsContact CG1-CA 3.46Å; S184-G188 PolarHBondContact O-N 2.96Å; C185-G188 PolarHBondContact O-N 2.99Å; F186-G188 PolarHBondContact O-N 2.83Å; G188-W192 PolarHBondContact O-NE1 2.94Å
189	L	95.9	Very high	94.2	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-71.7	-40.2	175.1	-75.2	170.6	0	0	0	111.7	V147 A153 F156 I157 L162 V165 C185 F186 H187 G191 W192	V147-L189 HydrophobicContact CB-CG 4.43Å; V147-L189 HydrophobicContact CG1-CD2 4.32Å; V147-L189 HydrophobicContact CG1-CG 3.96Å; V147-L189 HydrophobicContact CG2-CD1 4.14Å; V147-L189 HydrophobicContact CG2-CD2 3.87Å; V147-L189 HydrophobicContact CG2-CG 3.7Å; A153-L189 HydrophobicContact CB-CD2 4.14Å; F156-L189 HydrophobicContact CD1-CD1 3.71Å; F156-L189 HydrophobicContact CD1-CD2 3.86Å; F156-L189 HydrophobicContact CD1-CG 4.47Å; F156-L189 HydrophobicContact CE1-CD1 3.57Å; I157-L189 HydrophobicContact CD1-CD2 4.35Å; I157-L189 WeakPolarHBondContact CD1-O 3.45Å; I157-L189 HydrophobicContact CG1-CD2 4.23Å; L162-L189 HydrophobicContact CD1-CB 3.91Å; L162-L189 HydrophobicContact CD1-CD1 4.37Å; V165-L189 HydrophobicContact CG2-CD1 4.31Å; C185-L189 VanDerWaalsContact O-CB 3.31Å; C185-L189 WeakPolarHBondContact O-CB 3.25Å; C185-L189 VanDerWaalsContact O-CG 3.22Å; C185-L189 WeakPolarHBondContact O-CG 3.27Å; C185-L189 PolarHBondContact O-N 3.45Å; F186-L189 PolarHBondContact O-N 2.9Å; H187-L189 PolarHBondContact O-N 3.18Å; L189-G191 PolarHBondContact O-N 2.68Å; L189-W192 PolarHBondContact O-N 3.07Å
190	L	94.4	Very high	94.1	Very high	1 Å²	1	42.6 Å²	42.6	1%	0.005	23%	0.231	C	C	.	.	H	α-helix	trans	-62.7	-31.4	-179	-161.6	70.1	0	0	0	112.3	L162 F186 H187 W192 T193 N196 W197 L199 P200	L162-L190 HydrophobicContact CD2-CD1 4.11Å; F186-L190 HydrophobicContact CE2-CD2 4.44Å; F186-L190 HydrophobicContact CZ-CD2 4.17Å; F186-L190 WeakPolarHBondContact O-CB 3.28Å; F186-L190 PolarHBondContact O-N 2.93Å; H187-L190 PolarHBondContact O-N 3.07Å; L190-W192 PolarHBondContact O-N 3.12Å; L190-W192 VanDerWaalsContact O-N 3.07Å; L190-T193 PolarHBondContact O-N 2.97Å; L190-T193 VanDerWaalsContact O-N 3.09Å; L190-T193 PolarHBondContact O-OG1 3.47Å; L190-T193 VanDerWaalsContact O-OG1 3.12Å; L190-N196 WeakPolarHBondContact CD1-O 3.45Å; L190-W197 HydrophobicContact CD2-CD2 3.56Å; L190-W197 HydrophobicContact CD2-CE3 3.26Å; L190-W197 HydrophobicContact CD2-CG 4.31Å; L190-W197 HydrophobicContact CD2-CH2 3.7Å; L190-W197 HydrophobicContact CD2-CZ2 4.02Å; L190-W197 HydrophobicContact CD2-CZ3 3.34Å; L190-L199 HydrophobicContact CD1-CB 4.32Å; L190-L199 HydrophobicContact CD1-CD2 3.96Å; L190-P200 HydrophobicContact CD1-CG 4.03Å; L190-P200 HydrophobicContact CD2-CG 3.84Å
191	G	90.1	Very high	94.1	Very high	57 Å²	57	44.3 Å²	44.3	59%	0.588	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-9.4	173.8	0	0	0	0	0	115.5	H187 L189	H187-G191 PolarHBondContact O-N 2.89Å; L189-G191 PolarHBondContact O-N 2.68Å
192	W	91.9	Very high	94	Very high	110 Å²	110	45.5 Å²	45.5	42%	0.417	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.8	0.1	175.1	-59.1	104.2	0	0	0	114	V147 P150 A153 I157 G188 L189 L190	V147-W192 PolarHBondContact O-NE1 3.43Å; P150-W192 HydrophobicContact CB-CE3 4.47Å; P150-W192 HydrophobicContact CB-CH2 3.76Å; P150-W192 HydrophobicContact CB-CZ2 4.33Å; P150-W192 HydrophobicContact CB-CZ3 3.82Å; P150-W192 HydrophobicContact CG-CH2 3.6Å; P150-W192 HydrophobicContact CG-CZ2 4.21Å; P150-W192 HydrophobicContact CG-CZ3 4.11Å; A153-W192 HydrophobicContact CB-CB 4.45Å; A153-W192 HydrophobicContact CB-CD2 4.21Å; A153-W192 HydrophobicContact CB-CG 3.76Å; I157-W192 HydrophobicContact CD1-CB 3.81Å; G188-W192 PolarHBondContact O-NE1 2.94Å; L189-W192 PolarHBondContact O-N 3.07Å; L190-W192 PolarHBondContact O-N 3.12Å; L190-W192 VanDerWaalsContact O-N 3.07Å
193	T	92.4	Very high	93.9	Very high	28 Å²	28	51.6 Å²	51.6	17%	0.172	29%	0.288	C	S	.	.	S	Bend	trans	-95.9	147.9	176.9	72.6	0	0	0	0	111.6	I157 L162 L190 E195 N196 L199	I157-T193 HydrophobicContact CD1-CG2 4.17Å; I157-T193 HydrophobicContact CG2-CG2 4.43Å; L162-T193 HydrophobicContact CD2-CG2 3.67Å; L190-T193 PolarHBondContact O-N 2.97Å; L190-T193 VanDerWaalsContact O-N 3.09Å; L190-T193 PolarHBondContact O-OG1 3.47Å; L190-T193 VanDerWaalsContact O-OG1 3.12Å; T193-E195 VanDerWaalsContact C-N 3.34Å; T193-N196 WeakPolarHBondContact OG1-CA 3.49Å; T193-N196 PolarHBondContact OG1-N 3.1Å; T193-L199 HydrophobicContact CG2-CD2 4.26Å
194	E	89.3	Confident	93.9	Very high	206 Å²	206	51.6 Å²	51.6	96%	0.963	29%	0.288	S	S	*	.	S	Bend	trans	-69.5	-33.9	176.8	-62.3	-172.2	166.8	0	0	112.1
195	E	87.5	Confident	93.9	Very high	122 Å²	122	49.7 Å²	49.7	57%	0.57	28%	0.275	S	S	*	.	S	Bend	trans	-77.2	-21.8	179.6	-61.9	177.4	152.3	0	0	113.1	T193 W197 D198 L199	T193-E195 VanDerWaalsContact C-N 3.34Å; E195-W197 PolarHBondContact O-N 3.13Å; E195-D198 PolarHBondContact O-N 3.09Å; E195-L199 HydrophobicContact CB-CB 4.12Å; E195-L199 WeakPolarHBondContact OE2-CD1 3.07Å
196	N	90.9	Very high	93.9	Very high	54 Å²	54	51.1 Å²	51.1	29%	0.289	28%	0.283	S	S	.	.	G	3₁₀ helix	trans	45.9	-127.9	178.9	-166.3	-12.5	0	0	0	111.5	L190 T193 D198 L199 P200	L190-N196 WeakPolarHBondContact CD1-O 3.45Å; T193-N196 WeakPolarHBondContact OG1-CA 3.49Å; T193-N196 PolarHBondContact OG1-N 3.1Å; N196-D198 PolarHBondContact O-N 3.07Å; N196-D198 VanDerWaalsContact O-N 3.08Å; N196-L199 WeakPolarHBondContact O-CB 3.46Å; N196-L199 PolarHBondContact O-N 3.26Å; N196-L199 VanDerWaalsContact O-N 3.12Å; N196-P200 WeakPolarHBondContact O-CD 3.42Å
197	W	94.4	Very high	93.9	Very high	3 Å²	3	53.2 Å²	53.2	1%	0.011	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-64.5	-6.3	-179.9	-67.8	113.7	0	0	0	116	F186 H187 L190 E195 P200 L205 I230 D233 I234 R241	F186-W197 HydrophobicContact CE1-CH2 4.02Å; F186-W197 AromaticContact CE1-CZ3 3.73Å; F186-W197 HydrophobicContact CE1-CZ3 3.73Å; F186-W197 HydrophobicContact CZ-CH2 4.46Å; F186-W197 AromaticContact CZ-CZ3 3.83Å; F186-W197 HydrophobicContact CZ-CZ3 3.83Å; H187-W197 AromaticContact CD2-CH2 3.99Å; H187-W197 AromaticContact CD2-CZ2 3.59Å; H187-W197 AromaticContact NE2-CZ2 3.93Å; L190-W197 HydrophobicContact CD2-CD2 3.56Å; L190-W197 HydrophobicContact CD2-CE3 3.26Å; L190-W197 HydrophobicContact CD2-CG 4.31Å; L190-W197 HydrophobicContact CD2-CH2 3.7Å; L190-W197 HydrophobicContact CD2-CZ2 4.02Å; L190-W197 HydrophobicContact CD2-CZ3 3.34Å; E195-W197 PolarHBondContact O-N 3.13Å; W197-P200 HydrophobicContact CE3-CG 4.3Å; W197-P200 WeakPolarHBondContact O-CD 3.46Å; W197-L205 HydrophobicContact CE3-CD2 4.2Å; W197-L205 HydrophobicContact CZ3-CD2 4.22Å; W197-I230 HydrophobicContact CH2-CB 4.26Å; W197-I230 HydrophobicContact CH2-CG1 4.25Å; W197-I230 HydrophobicContact CH2-CG2 3.45Å; W197-I230 VanDerWaalsContact CH2-CG2 3.45Å; W197-I230 HydrophobicContact CZ2-CG2 4.21Å; W197-I230 HydrophobicContact CZ3-CG2 3.89Å; W197-D233 HydrophobicContact CZ2-CB 4.26Å; W197-D233 WeakPolarHBondContact CZ2-OD2 3.24Å; W197-D233 PolarHBondContact NE1-OD2 3.14Å; W197-I234 HydrophobicContact CD2-CB 4.49Å; W197-I234 HydrophobicContact CD2-CD1 4.18Å; W197-I234 HydrophobicContact CD2-CG1 3.32Å; W197-I234 HydrophobicContact CE3-CD1 3.76Å; W197-I234 HydrophobicContact CE3-CG1 3.44Å; W197-I234 VanDerWaalsContact CE3-CG1 3.44Å; W197-I234 HydrophobicContact CG-CG1 3.83Å; W197-I234 HydrophobicContact CH2-CD1 4.3Å; W197-I234 HydrophobicContact CH2-CG1 4.17Å; W197-I234 HydrophobicContact CZ2-CG1 4.01Å; W197-I234 HydrophobicContact CZ3-CD1 3.83Å; W197-I234 HydrophobicContact CZ3-CG1 3.87Å; W197-R241 HydrophobicContact CB-CG 4.42Å; W197-R241 VanDerWaalsContact O-CG 3.25Å; W197-R241 WeakPolarHBondContact O-CG 3.26Å; W197-R241 PolarHBondContact O-NE 3.22Å
198	D	92.2	Very high	93.9	Very high	87 Å²	87	51 Å²	51	47%	0.465	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-85	-11.7	171.6	-74.2	-44.1	0	0	0	113.9	E195 N196 S240 R241	E195-D198 PolarHBondContact O-N 3.09Å; N196-D198 PolarHBondContact O-N 3.07Å; N196-D198 VanDerWaalsContact O-N 3.08Å; D198-S240 VanDerWaalsContact CG-OG 3.28Å; D198-S240 WeakPolarHBondContact OD1-CB 3.03Å; D198-S240 PolarHBondContact OD1-OG 3.33Å; D198-S240 PolarHBondContact OD2-OG 3.32Å; D198-R241 VanDerWaalsContact C-NH2 3.31Å; D198-R241 PolarHBondContact O-NH2 3.45Å; D198-R241 IonicContact OD1-NE 2.68Å; D198-R241 PolarHBondContact OD1-NE 3.39Å
199	L	93.9	Very high	94.1	Very high	61 Å²	61	49.7 Å²	49.7	32%	0.319	27%	0.27	S	S	.	.	S	Bend	trans	-73.3	-45.3	173.8	174.2	70.4	0	0	0	114.6	L162 M166 L190 T193 E195 N196	L162-L199 HydrophobicContact CD2-CD2 3.68Å; L162-L199 HydrophobicContact CG-CD2 4.44Å; M166-L199 HydrophobicContact CE-CD2 4.32Å; M166-L199 HydrophobicContact CE-CG 4.3Å; L190-L199 HydrophobicContact CD1-CB 4.32Å; L190-L199 HydrophobicContact CD1-CD2 3.96Å; T193-L199 HydrophobicContact CG2-CD2 4.26Å; E195-L199 HydrophobicContact CB-CB 4.12Å; E195-L199 WeakPolarHBondContact OE2-CD1 3.07Å; N196-L199 WeakPolarHBondContact O-CB 3.46Å; N196-L199 PolarHBondContact O-N 3.26Å; N196-L199 VanDerWaalsContact O-N 3.12Å
200	P	95.5	Very high	94.1	Very high	1 Å²	1	51.4 Å²	51.4	1%	0.006	28%	0.279	C	S	.	.	S	Bend	trans	-65.9	149.4	-174	-24	36.2	0	0	0	114	M166 F186 L190 N196 W197 L204 L205 R241	M166-P200 HydrophobicContact SD-CB 4.32Å; M166-P200 HydrophobicContact SD-CG 4.45Å; F186-P200 HydrophobicContact CE2-CB 4.45Å; F186-P200 HydrophobicContact CE2-CG 3.99Å; F186-P200 HydrophobicContact CZ-CB 4.12Å; F186-P200 HydrophobicContact CZ-CG 3.72Å; L190-P200 HydrophobicContact CD1-CG 4.03Å; L190-P200 HydrophobicContact CD2-CG 3.84Å; N196-P200 WeakPolarHBondContact O-CD 3.42Å; W197-P200 HydrophobicContact CE3-CG 4.3Å; W197-P200 WeakPolarHBondContact O-CD 3.46Å; P200-L204 HydrophobicContact CB-CD2 4.39Å; P200-L205 HydrophobicContact CB-CD2 4.13Å; P200-L205 HydrophobicContact CB-CG 4.41Å; P200-R241 VanDerWaalsContact O-CZ 3.28Å; P200-R241 PolarHBondContact O-NH1 3Å; P200-R241 PolarHBondContact O-NH2 3.01Å
201	S	95	Very high	94.1	Very high	40 Å²	40	51.8 Å²	51.8	28%	0.28	28%	0.281	S	S	.	.			trans	-62.2	151.7	173.9	77	0	0	0	0	111.3	E170 D203 L204 L205	E170-S201 WeakPolarHBondContact OE1-CB 3.4Å; E170-S201 PolarHBondContact OE1-OG 3.45Å; S201-D203 PolarHBondContact O-N 2.95Å; S201-L204 PolarHBondContact O-N 3.43Å; S201-L204 VanDerWaalsContact OG-CB 3.26Å; S201-L204 WeakPolarHBondContact OG-CB 3.41Å; S201-L204 PolarHBondContact OG-N 3.31Å; S201-L205 PolarHBondContact O-N 3.16Å
202	S	96	Very high	94.4	Very high	67 Å²	67	49.1 Å²	49.1	47%	0.469	25%	0.253	S	S	.	.	H	α-helix	trans	-60.8	-35.4	172.4	-67.4	0	0	0	0	111.3	L205 V206	S202-L205 PolarHBondContact O-N 2.91Å; S202-V206 VanDerWaalsContact O-CG2 3.3Å; S202-V206 WeakPolarHBondContact O-CG2 3.24Å; S202-V206 PolarHBondContact O-N 3.4Å
203	D	95.8	Very high	94.5	Very high	127 Å²	127	45.5 Å²	45.5	68%	0.679	24%	0.243	S	C	*	.	H	α-helix	trans	-68.4	-38.8	-177.6	-60.1	-37.1	0	0	0	111.9	S201 L205 V206 L207	S201-D203 PolarHBondContact O-N 2.95Å; D203-L205 PolarHBondContact O-N 3.36Å; D203-V206 PolarHBondContact O-N 2.99Å; D203-L207 WeakPolarHBondContact O-CB 3.37Å; D203-L207 PolarHBondContact O-N 2.72Å
204	L	96.8	Very high	94.4	Very high	1 Å²	1	45 Å²	45	1%	0.005	24%	0.244	C	C	.	.	H	α-helix	trans	-63.2	-39.7	172	178.8	55.9	0	0	0	111.9	M166 L169 E170 F186 P200 S201 L207 I208	M166-L204 HydrophobicContact CB-CD2 3.88Å; M166-L204 HydrophobicContact CG-CD2 3.72Å; M166-L204 HydrophobicContact SD-CD2 4.23Å; L169-L204 HydrophobicContact CB-CD1 3.63Å; L169-L204 HydrophobicContact CD1-CD1 4.2Å; E170-L204 HydrophobicContact CG-CB 4.04Å; E170-L204 HydrophobicContact CG-CD1 4.24Å; F186-L204 HydrophobicContact CE2-CD2 4.05Å; F186-L204 HydrophobicContact CZ-CD2 4.09Å; P200-L204 HydrophobicContact CB-CD2 4.39Å; S201-L204 PolarHBondContact O-N 3.43Å; S201-L204 VanDerWaalsContact OG-CB 3.26Å; S201-L204 WeakPolarHBondContact OG-CB 3.41Å; S201-L204 PolarHBondContact OG-N 3.31Å; L204-L207 HydrophobicContact CD1-CD2 4.41Å; L204-L207 PolarHBondContact O-N 3.36Å; L204-I208 HydrophobicContact CD1-CD1 4.36Å; L204-I208 HydrophobicContact CG-CD1 4.38Å; L204-I208 WeakPolarHBondContact O-CG1 3.19Å; L204-I208 PolarHBondContact O-N 3.42Å
205	L	96.6	Very high	94.4	Very high	3 Å²	3	41.1 Å²	41.1	2%	0.016	22%	0.221	C	C	.	.	H	α-helix	trans	-68	-35.2	175.3	-61.2	-172.6	0	0	0	112.3	W197 P200 S201 S202 D203 I208 A209 I234 R241 L244	W197-L205 HydrophobicContact CE3-CD2 4.2Å; W197-L205 HydrophobicContact CZ3-CD2 4.22Å; P200-L205 HydrophobicContact CB-CD2 4.13Å; P200-L205 HydrophobicContact CB-CG 4.41Å; S201-L205 PolarHBondContact O-N 3.16Å; S202-L205 PolarHBondContact O-N 2.91Å; D203-L205 PolarHBondContact O-N 3.36Å; L205-I208 PolarHBondContact O-N 3.04Å; L205-A209 PolarHBondContact O-N 2.78Å; L205-A209 VanDerWaalsContact O-N 3.13Å; L205-I234 HydrophobicContact CD2-CD1 3.85Å; L205-R241 HydrophobicContact CD1-CB 4.13Å; L205-R241 HydrophobicContact CD1-CG 4.03Å; L205-R241 VanDerWaalsContact CD1-NH1 3.35Å; L205-L244 HydrophobicContact CB-CD2 4.07Å; L205-L244 HydrophobicContact CD1-CD2 4.27Å
206	V	96.7	Very high	94.4	Very high	30 Å²	30	37 Å²	37	18%	0.182	21%	0.208	C	C	.	.	H	α-helix	trans	-65.6	-42.7	172.1	174.9	0	0	0	0	110.8	S202 D203 I208 A209 D210 L244 Q248	S202-V206 VanDerWaalsContact O-CG2 3.3Å; S202-V206 WeakPolarHBondContact O-CG2 3.24Å; S202-V206 PolarHBondContact O-N 3.4Å; D203-V206 PolarHBondContact O-N 2.99Å; V206-I208 VanDerWaalsContact C-N 3.33Å; V206-I208 PolarHBondContact O-N 3.39Å; V206-A209 CarbonylContact O-C 3.56Å; V206-A209 WeakPolarHBondContact O-CB 3.18Å; V206-A209 PolarHBondContact O-N 2.88Å; V206-A209 VanDerWaalsContact O-N 3.16Å; V206-D210 PolarHBondContact O-N 3.42Å; V206-L244 HydrophobicContact CG2-CD1 4.22Å; V206-Q248 HydrophobicContact CG2-CG 4.05Å
207	L	96	Very high	94.1	Very high	44 Å²	44	43.3 Å²	43.3	23%	0.23	23%	0.233	C	C	.	.	H	α-helix	trans	-59.2	-41.8	176.1	177.8	62.1	0	0	0	112.1	L169 D203 L204 D210 F211	L169-L207 VanDerWaalsContact O-CD2 3.27Å; L169-L207 WeakPolarHBondContact O-CD2 3.37Å; D203-L207 WeakPolarHBondContact O-CB 3.37Å; D203-L207 PolarHBondContact O-N 2.72Å; L204-L207 HydrophobicContact CD1-CD2 4.41Å; L204-L207 PolarHBondContact O-N 3.36Å; L207-D210 WeakPolarHBondContact O-CB 3.41Å; L207-D210 PolarHBondContact O-N 3.21Å; L207-D210 VanDerWaalsContact O-N 3.15Å; L207-F211 HydrophobicContact CD1-CE1 4.05Å; L207-F211 HydrophobicContact CD1-CZ 3.8Å; L207-F211 HydrophobicContact CD2-CZ 4.3Å; L207-F211 HydrophobicContact CG-CE1 4.46Å; L207-F211 HydrophobicContact CG-CE2 4.06Å; L207-F211 HydrophobicContact CG-CZ 3.75Å; L207-F211 WeakPolarHBondContact O-CD2 3.49Å; L207-F211 PolarHBondContact O-N 3.41Å
208	I	96.9	Very high	93.6	Very high	1 Å²	1	44.9 Å²	44.9	1%	0.005	24%	0.241	C	C	.	.	H	α-helix	trans	-65.4	-39.6	176.3	-65.3	167.9	0	0	0	111.2	L183 F186 L204 L205 V206 D210 F211 A227 I230 L231	L183-I208 HydrophobicContact CD2-CD1 4.2Å; L183-I208 HydrophobicContact CD2-CG1 3.99Å; F186-I208 HydrophobicContact CD1-CD1 4.31Å; F186-I208 HydrophobicContact CE1-CD1 3.76Å; L204-I208 HydrophobicContact CD1-CD1 4.36Å; L204-I208 HydrophobicContact CG-CD1 4.38Å; L204-I208 WeakPolarHBondContact O-CG1 3.19Å; L204-I208 PolarHBondContact O-N 3.42Å; L205-I208 PolarHBondContact O-N 3.04Å; V206-I208 VanDerWaalsContact C-N 3.33Å; V206-I208 PolarHBondContact O-N 3.39Å; I208-D210 VanDerWaalsContact C-N 3.31Å; I208-D210 PolarHBondContact O-N 3.41Å; I208-F211 PolarHBondContact O-N 3.48Å; I208-A227 HydrophobicContact CG2-CB 4.01Å; I208-I230 HydrophobicContact CD1-CG2 4.17Å; I208-I230 HydrophobicContact CG2-CB 4.39Å; I208-I230 HydrophobicContact CG2-CG2 3.96Å; I208-L231 HydrophobicContact CG2-CD2 4.05Å; I208-L231 HydrophobicContact CG2-CG 4.31Å
209	A	97.1	Very high	93.2	Very high	1 Å²	1	46.2 Å²	46.2	1%	0.008	24%	0.244	C	C	.	.	H	α-helix	trans	-63.6	-35	171.6	0	0	0	0	0	112.7	L205 V206 F211 V212 V213 Q248 V249	L205-A209 PolarHBondContact O-N 2.78Å; L205-A209 VanDerWaalsContact O-N 3.13Å; V206-A209 CarbonylContact O-C 3.56Å; V206-A209 WeakPolarHBondContact O-CB 3.18Å; V206-A209 PolarHBondContact O-N 2.88Å; V206-A209 VanDerWaalsContact O-N 3.16Å; A209-F211 VanDerWaalsContact C-N 3.34Å; A209-F211 PolarHBondContact O-N 3.41Å; A209-V212 PolarHBondContact O-N 3.45Å; A209-V212 VanDerWaalsContact O-N 3.14Å; A209-V213 WeakPolarHBondContact O-CG2 3.48Å; A209-V213 PolarHBondContact O-N 3.22Å; A209-Q248 HydrophobicContact CB-CB 3.77Å; A209-V249 HydrophobicContact CB-CG2 3.64Å
210	D	96	Very high	93.2	Very high	35 Å²	35	45.9 Å²	45.9	19%	0.187	24%	0.241	C	C	.	.	H	α-helix	trans	-68	-28.8	179.7	-78.4	3.5	0	0	0	113.7	V206 L207 I208 G214 R215 A216	V206-D210 PolarHBondContact O-N 3.42Å; L207-D210 WeakPolarHBondContact O-CB 3.41Å; L207-D210 PolarHBondContact O-N 3.21Å; L207-D210 VanDerWaalsContact O-N 3.15Å; I208-D210 VanDerWaalsContact C-N 3.31Å; I208-D210 PolarHBondContact O-N 3.41Å; D210-G214 CarbonylContact O-C 3.58Å; D210-G214 PolarHBondContact O-N 3.25Å; D210-G214 VanDerWaalsContact O-N 3.08Å; D210-R215 HydrophobicContact CB-CB 4.05Å; D210-R215 PolarHBondContact O-N 3.24Å; D210-R215 IonicContact OD1-CZ 3.35Å; D210-R215 IonicContact OD1-NE 3.7Å; D210-R215 PolarHBondContact OD1-NE 2.96Å; D210-R215 IonicContact OD1-NH2 3.58Å; D210-R215 PolarHBondContact OD1-NH2 2.84Å; D210-R215 IonicContact OD2-NE 3.68Å; D210-A216 HydrophobicContact CB-CB 4.27Å; D210-A216 PolarHBondContact O-N 3.08Å; D210-A216 VanDerWaalsContact O-N 3.1Å
211	F	95.4	Very high	93.2	Very high	10 Å²	10	48.1 Å²	48.1	4%	0.044	26%	0.256	C	S	.	.	H	α-helix	trans	-63.2	-48	167.8	-57.1	-45.5	0	0	0	110.8	L179 L183 L207 I208 A209 G214 A216 L218 V223 L224 A227	L179-F211 HydrophobicContact CD1-CE2 4.47Å; L179-F211 HydrophobicContact CD1-CZ 4.24Å; L179-F211 HydrophobicContact CD2-CD1 4.45Å; L179-F211 HydrophobicContact CD2-CE1 3.92Å; L179-F211 HydrophobicContact CD2-CE2 4.37Å; L179-F211 HydrophobicContact CD2-CZ 3.88Å; L183-F211 HydrophobicContact CD1-CD2 4.27Å; L183-F211 HydrophobicContact CD1-CE2 4.25Å; L183-F211 HydrophobicContact CD2-CE2 4.46Å; L207-F211 HydrophobicContact CD1-CE1 4.05Å; L207-F211 HydrophobicContact CD1-CZ 3.8Å; L207-F211 HydrophobicContact CD2-CZ 4.3Å; L207-F211 HydrophobicContact CG-CE1 4.46Å; L207-F211 HydrophobicContact CG-CE2 4.06Å; L207-F211 HydrophobicContact CG-CZ 3.75Å; L207-F211 WeakPolarHBondContact O-CD2 3.49Å; L207-F211 PolarHBondContact O-N 3.41Å; I208-F211 PolarHBondContact O-N 3.48Å; A209-F211 VanDerWaalsContact C-N 3.34Å; A209-F211 PolarHBondContact O-N 3.41Å; F211-G214 PolarHBondContact O-N 3.47Å; F211-A216 HydrophobicContact CD1-CB 3.49Å; F211-A216 VanDerWaalsContact CD1-CB 3.49Å; F211-A216 HydrophobicContact CE1-CB 3.86Å; F211-L218 HydrophobicContact CD1-CB 4.46Å; F211-L218 HydrophobicContact CD1-CD1 4.27Å; F211-L218 HydrophobicContact CE1-CD1 3.94Å; F211-V223 HydrophobicContact CB-CG1 4.28Å; F211-V223 HydrophobicContact CD2-CG1 4.36Å; F211-V223 HydrophobicContact CG-CG1 4.17Å; F211-L224 WeakPolarHBondContact O-CD2 3.22Å; F211-A227 HydrophobicContact CB-CB 4.37Å
212	V	96	Very high	93.3	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-67.9	-46.1	-177.1	-179.2	0	0	0	0	111.8	A209 G214 A227 M228 L231 L254 R256 H257	A209-V212 PolarHBondContact O-N 3.45Å; A209-V212 VanDerWaalsContact O-N 3.14Å; V212-G214 PolarHBondContact O-N 3.44Å; V212-A227 HydrophobicContact CG2-CB 3.73Å; V212-M228 HydrophobicContact CB-CG 4.33Å; V212-M228 HydrophobicContact CG1-CG 3.68Å; V212-M228 HydrophobicContact CG1-SD 4.11Å; V212-M228 HydrophobicContact CG2-CG 3.64Å; V212-L231 HydrophobicContact CB-CD1 4.24Å; V212-L231 HydrophobicContact CG2-CD1 3.81Å; V212-L254 HydrophobicContact CG1-CD2 3.64Å; V212-R256 PolarHBondContact O-NH2 3.47Å; V212-H257 PolarHBondContact O-CE1 3.5Å; V212-H257 PolarHBondContact O-NE2 3.32Å
213	V	94.8	Very high	93.3	Very high	34 Å²	34	48.3 Å²	48.3	21%	0.206	24%	0.243	C	C	.	.	H	α-helix	trans	-74.3	-13	179.4	-177.3	0	0	0	0	112	A209 R215 V249	A209-V213 WeakPolarHBondContact O-CG2 3.48Å; A209-V213 PolarHBondContact O-N 3.22Å; V213-R215 HydrophobicContact CG1-CG 4.21Å; V213-V249 HydrophobicContact CG2-CB 4.28Å; V213-V249 HydrophobicContact CG2-CG1 4.19Å; V213-V249 HydrophobicContact CG2-CG2 3.97Å
214	G	89.9	Confident	93.4	Very high	19 Å²	19	42.7 Å²	42.7	20%	0.196	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.6	5.6	177.2	0	0	0	0	0	114.5	D210 F211 V212 A216 K217	D210-G214 CarbonylContact O-C 3.58Å; D210-G214 PolarHBondContact O-N 3.25Å; D210-G214 VanDerWaalsContact O-N 3.08Å; F211-G214 PolarHBondContact O-N 3.47Å; V212-G214 PolarHBondContact O-N 3.44Å; G214-A216 PolarHBondContact O-N 2.78Å; G214-K217 PolarHBondContact O-N 3.12Å; G214-K217 VanDerWaalsContact O-N 3.07Å
215	R	89.6	Confident	93.4	Very high	124 Å²	124	43.4 Å²	43.4	47%	0.468	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-31.9	176.2	-65.8	-166.9	-70.6	-147.3	2.1	111.9	D210 V213 K217	D210-R215 HydrophobicContact CB-CB 4.05Å; D210-R215 PolarHBondContact O-N 3.24Å; D210-R215 IonicContact OD1-CZ 3.35Å; D210-R215 IonicContact OD1-NE 3.7Å; D210-R215 PolarHBondContact OD1-NE 2.96Å; D210-R215 IonicContact OD1-NH2 3.58Å; D210-R215 PolarHBondContact OD1-NH2 2.84Å; D210-R215 IonicContact OD2-NE 3.68Å; V213-R215 HydrophobicContact CG1-CG 4.21Å; R215-K217 VanDerWaalsContact C-N 3.31Å; R215-K217 PolarHBondContact O-N 3.43Å
216	A	85.8	Confident	93.4	Very high	36 Å²	36	44.4 Å²	44.4	30%	0.298	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-8.8	175.5	0	0	0	0	0	114.9	D210 F211 G214 L218	D210-A216 HydrophobicContact CB-CB 4.27Å; D210-A216 PolarHBondContact O-N 3.08Å; D210-A216 VanDerWaalsContact O-N 3.1Å; F211-A216 HydrophobicContact CD1-CB 3.49Å; F211-A216 VanDerWaalsContact CD1-CB 3.49Å; F211-A216 HydrophobicContact CE1-CB 3.86Å; G214-A216 PolarHBondContact O-N 2.78Å; A216-L218 PolarHBondContact O-N 2.71Å; A216-L218 VanDerWaalsContact O-N 3.16Å
217	K	85.7	Confident	93.5	Very high	186 Å²	186	43 Å²	43	81%	0.809	22%	0.216	S	C	*	.			trans	57.1	21.8	-177.1	-54.9	178.6	-178.6	175.4	0	115.7	G214 R215	G214-K217 PolarHBondContact O-N 3.12Å; G214-K217 VanDerWaalsContact O-N 3.07Å; R215-K217 VanDerWaalsContact C-N 3.31Å; R215-K217 PolarHBondContact O-N 3.43Å
218	L	83.8	Confident	93.6	Very high	35 Å²	35	40.9 Å²	40.9	18%	0.183	21%	0.205	C	C	.	.			trans	-107	113.7	173.4	-68.3	174.4	0	0	0	109.3	N175 L179 F211 A216	N175-L218 HydrophobicContact CB-CD2 4.45Å; L179-L218 HydrophobicContact CD2-CD1 3.66Å; F211-L218 HydrophobicContact CD1-CB 4.46Å; F211-L218 HydrophobicContact CD1-CD1 4.27Å; F211-L218 HydrophobicContact CE1-CD1 3.94Å; A216-L218 PolarHBondContact O-N 2.71Å; A216-L218 VanDerWaalsContact O-N 3.16Å
219	E	84.1	Confident	93.6	Very high	116 Å²	116	43.1 Å²	43.1	54%	0.542	22%	0.218	S	C	.	.			trans	-116.8	17.1	-173	-53.9	-155.8	126	0	0	113.4	R256	E219-R256 IonicContact OE1-CZ 3.98Å; E219-R256 IonicContact OE1-NH1 3.63Å; E219-R256 PolarHBondContact OE1-NH1 2.73Å; E219-R256 IonicContact OE1-NH2 3.66Å
220	H	94.4	Very high	93.6	Very high	54 Å²	54	43 Å²	43	25%	0.25	22%	0.218	C	C	.	.			trans	-61.9	124	178.9	-176.2	-92.3	0	0	0	111.1	D176 K222 V223 L224	D176-H220 HydrophobicContact CB-CB 4.33Å; D176-H220 WeakPolarHBondContact OD1-CB 3.42Å; D176-H220 IonicContact OD1-CD2 3.57Å; D176-H220 IonicContact OD1-CG 3.48Å; H220-K222 VanDerWaalsContact C-N 3.3Å; H220-K222 PolarHBondContact ND1-N 2.97Å; H220-K222 PolarHBondContact O-N 3.26Å; H220-K222 VanDerWaalsContact O-N 3.09Å; H220-V223 HydrophobicContact CB-CB 4.43Å; H220-V223 HydrophobicContact CB-CG2 4.01Å; H220-V223 WeakPolarHBondContact O-CB 3.14Å; H220-V223 PolarHBondContact O-N 2.75Å; H220-L224 PolarHBondContact O-N 2.85Å
221	P	95.6	Very high	93.7	Very high	48 Å²	48	41.4 Å²	41.4	31%	0.312	21%	0.209	S	C	.	.	H	α-helix	trans	-53.4	-40.1	-169.7	-31.4	36	0	0	0	114.9	V223 L224 S225 D262 V265	P221-V223 VanDerWaalsContact C-N 3.34Å; P221-V223 PolarHBondContact O-N 3.48Å; P221-L224 PolarHBondContact O-N 2.55Å; P221-S225 PolarHBondContact O-N 3.31Å; P221-S225 PolarHBondContact O-OG 3.19Å; P221-D262 HydrophobicContact CB-CB 3.93Å; P221-D262 HydrophobicContact CG-CB 4.49Å; P221-V265 HydrophobicContact CB-CG2 3.82Å; P221-V265 VanDerWaalsContact O-CG2 3.32Å; P221-V265 WeakPolarHBondContact O-CG2 3.31Å
222	K	95.8	Very high	93.8	Very high	110 Å²	110	42.8 Å²	42.8	48%	0.478	22%	0.216	S	C	.	.	H	α-helix	trans	-69.5	-28	178.3	-60.1	-175.5	-179.4	177.4	0	113.8	L177 S180 H220 S225 V226	L177-K222 HydrophobicContact CD1-CD 3.73Å; S180-K222 WeakPolarHBondContact CB-O 3.44Å; H220-K222 VanDerWaalsContact C-N 3.3Å; H220-K222 PolarHBondContact ND1-N 2.97Å; H220-K222 PolarHBondContact O-N 3.26Å; H220-K222 VanDerWaalsContact O-N 3.09Å; K222-S225 PolarHBondContact O-OG 3.05Å; K222-V226 VanDerWaalsContact O-CG2 3.26Å; K222-V226 WeakPolarHBondContact O-CG2 3.22Å; K222-V226 PolarHBondContact O-N 3.18Å
223	V	96.9	Very high	93.8	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-70.4	-47.6	174.3	177.5	0	0	0	0	108.3	D176 L179 L183 F211 H220 P221 S225 V226 A227	D176-V223 WeakPolarHBondContact O-CG2 3.3Å; L179-V223 HydrophobicContact CB-CG2 4.13Å; L179-V223 HydrophobicContact CD2-CG1 3.81Å; L179-V223 HydrophobicContact CD2-CG2 4.1Å; L179-V223 HydrophobicContact CG-CG1 4.2Å; L179-V223 HydrophobicContact CG-CG2 4.16Å; L183-V223 HydrophobicContact CD1-CG1 4.04Å; F211-V223 HydrophobicContact CB-CG1 4.28Å; F211-V223 HydrophobicContact CD2-CG1 4.36Å; F211-V223 HydrophobicContact CG-CG1 4.17Å; H220-V223 HydrophobicContact CB-CB 4.43Å; H220-V223 HydrophobicContact CB-CG2 4.01Å; H220-V223 WeakPolarHBondContact O-CB 3.14Å; H220-V223 PolarHBondContact O-N 2.75Å; P221-V223 VanDerWaalsContact C-N 3.34Å; P221-V223 PolarHBondContact O-N 3.48Å; V223-S225 PolarHBondContact O-N 2.85Å; V223-V226 PolarHBondContact O-N 3.05Å; V223-A227 WeakPolarHBondContact O-CB 3.4Å; V223-A227 PolarHBondContact O-N 3.27Å
224	L	97.3	Very high	93.9	Very high	9 Å²	9	43 Å²	43	5%	0.047	22%	0.215	C	C	.	.	H	α-helix	trans	-60.3	-45.6	178.4	-64.6	176	0	0	0	112.3	F211 H220 P221 M228 V265	F211-L224 WeakPolarHBondContact O-CD2 3.22Å; H220-L224 PolarHBondContact O-N 2.85Å; P221-L224 PolarHBondContact O-N 2.55Å; L224-M228 HydrophobicContact CB-CE 4.25Å; L224-M228 WeakPolarHBondContact O-CB 3.32Å; L224-M228 WeakPolarHBondContact O-CE 3.29Å; L224-M228 WeakPolarHBondContact O-CG 3.18Å; L224-M228 PolarHBondContact O-N 2.89Å; L224-V265 HydrophobicContact CB-CG2 4.33Å
225	S	96.8	Very high	94.1	Very high	16 Å²	16	42.3 Å²	42.3	11%	0.112	21%	0.207	C	C	.	.	H	α-helix	trans	-63.8	-44.9	179.7	66.3	0	0	0	0	112.5	P221 K222 V223 T229 S268	P221-S225 PolarHBondContact O-N 3.31Å; P221-S225 PolarHBondContact O-OG 3.19Å; K222-S225 PolarHBondContact O-OG 3.05Å; V223-S225 PolarHBondContact O-N 2.85Å; S225-T229 WeakPolarHBondContact O-CB 3.23Å; S225-T229 PolarHBondContact O-N 2.82Å; S225-T229 PolarHBondContact O-OG1 2.86Å; S225-S268 PolarHBondContact O-OG 3.45Å
226	V	97.1	Very high	94.3	Very high	25 Å²	25	37.5 Å²	37.5	15%	0.152	19%	0.192	C	C	.	.	H	α-helix	trans	-70.1	-42.6	179.6	177.7	0	0	0	0	110.8	L183 K222 V223 M228 T229 I230	L183-V226 HydrophobicContact CB-CG1 3.65Å; K222-V226 VanDerWaalsContact O-CG2 3.26Å; K222-V226 WeakPolarHBondContact O-CG2 3.22Å; K222-V226 PolarHBondContact O-N 3.18Å; V223-V226 PolarHBondContact O-N 3.05Å; V226-M228 PolarHBondContact O-N 3.06Å; V226-T229 WeakPolarHBondContact O-CB 3.33Å; V226-T229 PolarHBondContact O-N 3.06Å; V226-I230 HydrophobicContact CG1-CD1 4.06Å; V226-I230 WeakPolarHBondContact O-CG1 3.42Å; V226-I230 PolarHBondContact O-N 3.35Å
227	A	97.8	Very high	94.5	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-60.7	-45.6	176.4	0	0	0	0	0	111.8	I208 F211 V212 V223 T229 I230 L231	I208-A227 HydrophobicContact CG2-CB 4.01Å; F211-A227 HydrophobicContact CB-CB 4.37Å; V212-A227 HydrophobicContact CG2-CB 3.73Å; V223-A227 WeakPolarHBondContact O-CB 3.4Å; V223-A227 PolarHBondContact O-N 3.27Å; A227-T229 VanDerWaalsContact C-N 3.34Å; A227-T229 PolarHBondContact O-N 3.29Å; A227-I230 WeakPolarHBondContact O-CB 3.43Å; A227-I230 PolarHBondContact O-N 3.47Å; A227-L231 WeakPolarHBondContact O-CG 3.35Å; A227-L231 PolarHBondContact O-N 3.44Å
228	M	98.1	Very high	94.7	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-64.8	-36.3	175.6	-72	-171.9	-72.7	0	0	112.9	V212 L224 V226 L231 E232 H257 V265 V269 L272	V212-M228 HydrophobicContact CB-CG 4.33Å; V212-M228 HydrophobicContact CG1-CG 3.68Å; V212-M228 HydrophobicContact CG1-SD 4.11Å; V212-M228 HydrophobicContact CG2-CG 3.64Å; L224-M228 HydrophobicContact CB-CE 4.25Å; L224-M228 WeakPolarHBondContact O-CB 3.32Å; L224-M228 WeakPolarHBondContact O-CE 3.29Å; L224-M228 WeakPolarHBondContact O-CG 3.18Å; L224-M228 PolarHBondContact O-N 2.89Å; V226-M228 PolarHBondContact O-N 3.06Å; M228-L231 PolarHBondContact O-N 2.94Å; M228-E232 WeakPolarHBondContact O-CB 3.32Å; M228-E232 PolarHBondContact O-N 3.49Å; M228-H257 HydrophobicContact CE-CB 4.36Å; M228-H257 HydrophobicContact SD-CB 4.4Å; M228-V265 HydrophobicContact CE-CG1 3.79Å; M228-V269 HydrophobicContact CE-CB 4.1Å; M228-V269 HydrophobicContact SD-CB 3.61Å; M228-V269 HydrophobicContact SD-CG2 3.99Å; M228-L272 HydrophobicContact CB-CD2 4.05Å; M228-L272 HydrophobicContact CG-CD2 3.85Å; M228-L272 HydrophobicContact SD-CD2 4.41Å
229	T	97.4	Very high	95	Very high	47 Å²	47	35.7 Å²	35.7	29%	0.288	20%	0.196	S	C	.	.	H	α-helix	trans	-63.3	-40.5	174	-55.5	0	0	0	0	111.6	S225 V226 A227 E232 D233	S225-T229 WeakPolarHBondContact O-CB 3.23Å; S225-T229 PolarHBondContact O-N 2.82Å; S225-T229 PolarHBondContact O-OG1 2.86Å; V226-T229 WeakPolarHBondContact O-CB 3.33Å; V226-T229 PolarHBondContact O-N 3.06Å; A227-T229 VanDerWaalsContact C-N 3.34Å; A227-T229 PolarHBondContact O-N 3.29Å; T229-E232 PolarHBondContact O-N 3.47Å; T229-D233 WeakPolarHBondContact O-CB 3.31Å; T229-D233 PolarHBondContact O-N 2.66Å
230	I	97.6	Very high	95.4	Very high	0 Å²	0	33 Å²	33	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-61.5	-46.4	173.2	-75.5	163.9	0	0	0	111	L183 F186 H187 W197 I208 V226 A227 E232 D233 I234	L183-I230 HydrophobicContact CB-CD1 4.18Å; L183-I230 HydrophobicContact CD2-CD1 4.25Å; F186-I230 HydrophobicContact CD1-CD1 4.22Å; H187-I230 HydrophobicContact CB-CD1 4.14Å; H187-I230 HydrophobicContact CB-CG1 3.84Å; W197-I230 HydrophobicContact CH2-CB 4.26Å; W197-I230 HydrophobicContact CH2-CG1 4.25Å; W197-I230 HydrophobicContact CH2-CG2 3.45Å; W197-I230 VanDerWaalsContact CH2-CG2 3.45Å; W197-I230 HydrophobicContact CZ2-CG2 4.21Å; W197-I230 HydrophobicContact CZ3-CG2 3.89Å; I208-I230 HydrophobicContact CD1-CG2 4.17Å; I208-I230 HydrophobicContact CG2-CB 4.39Å; I208-I230 HydrophobicContact CG2-CG2 3.96Å; V226-I230 HydrophobicContact CG1-CD1 4.06Å; V226-I230 WeakPolarHBondContact O-CG1 3.42Å; V226-I230 PolarHBondContact O-N 3.35Å; A227-I230 WeakPolarHBondContact O-CB 3.43Å; A227-I230 PolarHBondContact O-N 3.47Å; I230-E232 PolarHBondContact O-N 3.13Å; I230-D233 PolarHBondContact O-N 3.35Å; I230-I234 HydrophobicContact CG2-CD1 3.76Å; I230-I234 VanDerWaalsContact O-CG1 3.32Å; I230-I234 WeakPolarHBondContact O-CG1 3.33Å; I230-I234 PolarHBondContact O-N 3.46Å
231	L	97.8	Very high	95.4	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-66.2	-37.5	179.3	-62.8	-175.9	0	0	0	112.5	I208 V212 A227 M228 D233 I234 I235 V245 V249 L272	I208-L231 HydrophobicContact CG2-CD2 4.05Å; I208-L231 HydrophobicContact CG2-CG 4.31Å; V212-L231 HydrophobicContact CB-CD1 4.24Å; V212-L231 HydrophobicContact CG2-CD1 3.81Å; A227-L231 WeakPolarHBondContact O-CG 3.35Å; A227-L231 PolarHBondContact O-N 3.44Å; M228-L231 PolarHBondContact O-N 2.94Å; L231-D233 VanDerWaalsContact C-N 3.33Å; L231-I234 HydrophobicContact CD2-CD1 4.16Å; L231-I234 PolarHBondContact O-N 3.44Å; L231-I235 WeakPolarHBondContact O-CB 3.38Å; L231-I235 WeakPolarHBondContact O-CD1 3.45Å; L231-I235 WeakPolarHBondContact O-CG1 3.39Å; L231-I235 PolarHBondContact O-N 2.86Å; L231-V245 HydrophobicContact CB-CG1 4.19Å; L231-V245 HydrophobicContact CD1-CG1 4.36Å; L231-V245 HydrophobicContact CD2-CG1 3.9Å; L231-V245 HydrophobicContact CD2-CG2 4.03Å; L231-V245 HydrophobicContact CG-CG1 4.37Å; L231-V249 HydrophobicContact CD1-CG2 3.88Å; L231-L272 HydrophobicContact CB-CD1 3.77Å; L231-L272 HydrophobicContact CB-CD2 4.27Å; L231-L272 HydrophobicContact CD1-CD2 4.34Å
232	E	97.3	Very high	95.3	Very high	40 Å²	40	30.5 Å²	30.5	19%	0.187	18%	0.175	C	C	.	.	H	α-helix	trans	-58.3	-46.9	172.8	-174.9	-144.2	147.7	0	0	110.6	M228 T229 I230 I235 T236 A271 A275	M228-E232 WeakPolarHBondContact O-CB 3.32Å; M228-E232 PolarHBondContact O-N 3.49Å; T229-E232 PolarHBondContact O-N 3.47Å; I230-E232 PolarHBondContact O-N 3.13Å; E232-I235 PolarHBondContact O-N 2.84Å; E232-T236 VanDerWaalsContact O-CB 3.24Å; E232-T236 WeakPolarHBondContact O-CB 3.42Å; E232-T236 PolarHBondContact O-N 2.91Å; E232-T236 PolarHBondContact O-OG1 3.27Å; E232-A271 HydrophobicContact CG-CB 4.29Å; E232-A271 WeakPolarHBondContact OE2-CB 3.32Å; E232-A275 HydrophobicContact CG-CB 3.79Å
233	D	95.8	Very high	95.2	Very high	38 Å²	38	29.1 Å²	29.1	20%	0.203	18%	0.177	C	C	.	.	H	α-helix	trans	-64.4	-44.4	-179.8	-168.3	39.2	0	0	0	111.6	H187 W197 T229 I230 L231 T236 N237	H187-D233 IonicContact CD2-OD2 3.18Å; H187-D233 IonicContact CE1-OD2 2.72Å; H187-D233 IonicContact NE2-OD2 3.78Å; H187-D233 PolarHBondContact NE2-OD2 3.36Å; W197-D233 HydrophobicContact CZ2-CB 4.26Å; W197-D233 WeakPolarHBondContact CZ2-OD2 3.24Å; W197-D233 PolarHBondContact NE1-OD2 3.14Å; T229-D233 WeakPolarHBondContact O-CB 3.31Å; T229-D233 PolarHBondContact O-N 2.66Å; I230-D233 PolarHBondContact O-N 3.35Å; L231-D233 VanDerWaalsContact C-N 3.33Å; D233-T236 PolarHBondContact O-N 2.94Å; D233-N237 WeakPolarHBondContact O-CB 3.38Å; D233-N237 PolarHBondContact O-N 3.44Å; D233-N237 PolarHBondContact OD1-ND2 3.26Å
234	I	96.5	Very high	95.2	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-57.5	-51.6	173.2	-67.7	160.3	0	0	0	111	W197 L205 I230 L231 T236 N237 S238 R241 V245	W197-I234 HydrophobicContact CD2-CB 4.49Å; W197-I234 HydrophobicContact CD2-CD1 4.18Å; W197-I234 HydrophobicContact CD2-CG1 3.32Å; W197-I234 HydrophobicContact CE3-CD1 3.76Å; W197-I234 HydrophobicContact CE3-CG1 3.44Å; W197-I234 VanDerWaalsContact CE3-CG1 3.44Å; W197-I234 HydrophobicContact CG-CG1 3.83Å; W197-I234 HydrophobicContact CH2-CD1 4.3Å; W197-I234 HydrophobicContact CH2-CG1 4.17Å; W197-I234 HydrophobicContact CZ2-CG1 4.01Å; W197-I234 HydrophobicContact CZ3-CD1 3.83Å; W197-I234 HydrophobicContact CZ3-CG1 3.87Å; L205-I234 HydrophobicContact CD2-CD1 3.85Å; I230-I234 HydrophobicContact CG2-CD1 3.76Å; I230-I234 VanDerWaalsContact O-CG1 3.32Å; I230-I234 WeakPolarHBondContact O-CG1 3.33Å; I230-I234 PolarHBondContact O-N 3.46Å; L231-I234 HydrophobicContact CD2-CD1 4.16Å; L231-I234 PolarHBondContact O-N 3.44Å; I234-T236 VanDerWaalsContact C-N 3.26Å; I234-T236 PolarHBondContact O-N 3.15Å; I234-N237 PolarHBondContact O-N 2.99Å; I234-S238 WeakPolarHBondContact O-CA 3.34Å; I234-S238 WeakPolarHBondContact O-CB 3.28Å; I234-S238 PolarHBondContact O-N 2.58Å; I234-R241 HydrophobicContact CG2-CB 3.76Å; I234-V245 HydrophobicContact CB-CG2 4.28Å; I234-V245 HydrophobicContact CD1-CG2 4.32Å; I234-V245 HydrophobicContact CG2-CG2 3.62Å
235	I	95.8	Very high	95.1	Very high	4 Å²	4	30.8 Å²	30.8	2%	0.021	19%	0.186	C	C	.	.	H	α-helix	trans	-63.7	-35.5	-179.1	-72.9	158.3	0	0	0	111.3	L231 E232 V245 L272 A275 M276 K279	L231-I235 WeakPolarHBondContact O-CB 3.38Å; L231-I235 WeakPolarHBondContact O-CD1 3.45Å; L231-I235 WeakPolarHBondContact O-CG1 3.39Å; L231-I235 PolarHBondContact O-N 2.86Å; E232-I235 PolarHBondContact O-N 2.84Å; I235-V245 HydrophobicContact CD1-CB 4.42Å; I235-V245 HydrophobicContact CD1-CG1 3.66Å; I235-V245 HydrophobicContact CG1-CB 4.28Å; I235-V245 HydrophobicContact CG1-CG1 4.02Å; I235-L272 HydrophobicContact CD1-CD1 3.56Å; I235-A275 HydrophobicContact CB-CB 4.46Å; I235-A275 HydrophobicContact CG2-CB 4.01Å; I235-M276 HydrophobicContact CD1-CG 3.55Å; I235-M276 HydrophobicContact CD1-SD 4.5Å; I235-K279 HydrophobicContact CG2-CB 3.93Å; I235-K279 HydrophobicContact CG2-CG 3.95Å
236	T	92.8	Very high	94.9	Very high	23 Å²	23	33.4 Å²	33.4	14%	0.141	20%	0.198	C	C	.	.	H	α-helix	trans	-74.4	-43.8	-178.5	-59.9	0	0	0	0	112	E232 D233 I234 K279	E232-T236 VanDerWaalsContact O-CB 3.24Å; E232-T236 WeakPolarHBondContact O-CB 3.42Å; E232-T236 PolarHBondContact O-N 2.91Å; E232-T236 PolarHBondContact O-OG1 3.27Å; D233-T236 PolarHBondContact O-N 2.94Å; I234-T236 VanDerWaalsContact C-N 3.26Å; I234-T236 PolarHBondContact O-N 3.15Å; T236-K279 PolarHBondContact O-NZ 2.82Å
237	N	90.3	Very high	94.8	Very high	95 Å²	95	40.2 Å²	40.2	51%	0.508	23%	0.226	S	C	.	.	H	α-helix	trans	-113.8	-14.2	-164.4	-65.9	-40.9	0	0	0	115	D233 I234	D233-N237 WeakPolarHBondContact O-CB 3.38Å; D233-N237 PolarHBondContact O-N 3.44Å; D233-N237 PolarHBondContact OD1-ND2 3.26Å; I234-N237 PolarHBondContact O-N 2.99Å
238	S	90.7	Very high	94.7	Very high	8 Å²	8	42 Å²	42	6%	0.056	23%	0.234	C	C	.	.			trans	-120.9	98.8	179.3	177.6	0	0	0	0	112.6	I234 S240 R241 A242	I234-S238 WeakPolarHBondContact O-CA 3.34Å; I234-S238 WeakPolarHBondContact O-CB 3.28Å; I234-S238 PolarHBondContact O-N 2.58Å; S238-S240 VanDerWaalsContact C-N 3.25Å; S238-S240 PolarHBondContact O-N 3.27Å; S238-S240 PolarHBondContact OG-OG 3.2Å; S238-R241 WeakPolarHBondContact OG-CB 3.34Å; S238-R241 WeakPolarHBondContact OG-CG 3.49Å; S238-R241 PolarHBondContact OG-N 3.04Å; S238-R241 VanDerWaalsContact OG-N 3.13Å; S238-A242 VanDerWaalsContact O-CB 3.24Å; S238-A242 WeakPolarHBondContact O-CB 3.06Å; S238-A242 PolarHBondContact O-N 2.74Å
239	S	88.7	Confident	94.6	Very high	116 Å²	116	42 Å²	42	81%	0.811	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68	-23.6	173.7	52.3	0	0	0	0	113.5	P243	S239-P243 WeakPolarHBondContact O-CD 3.32Å
240	S	92.8	Very high	94.5	Very high	61 Å²	61	42.8 Å²	42.8	43%	0.427	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-43.2	175.8	50.3	0	0	0	0	112.5	D198 S238	D198-S240 VanDerWaalsContact CG-OG 3.28Å; D198-S240 WeakPolarHBondContact OD1-CB 3.03Å; D198-S240 PolarHBondContact OD1-OG 3.33Å; D198-S240 PolarHBondContact OD2-OG 3.32Å; S238-S240 VanDerWaalsContact C-N 3.25Å; S238-S240 PolarHBondContact O-N 3.27Å; S238-S240 PolarHBondContact OG-OG 3.2Å
241	R	94.6	Very high	94.3	Very high	38 Å²	38	43.3 Å²	43.3	14%	0.143	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.8	-21.8	-176.2	-56.7	-52.2	-171.3	104.6	-0.7	114.5	W197 D198 P200 L205 I234 S238 P243 L244 V245	W197-R241 HydrophobicContact CB-CG 4.42Å; W197-R241 VanDerWaalsContact O-CG 3.25Å; W197-R241 WeakPolarHBondContact O-CG 3.26Å; W197-R241 PolarHBondContact O-NE 3.22Å; D198-R241 VanDerWaalsContact C-NH2 3.31Å; D198-R241 PolarHBondContact O-NH2 3.45Å; D198-R241 IonicContact OD1-NE 2.68Å; D198-R241 PolarHBondContact OD1-NE 3.39Å; P200-R241 VanDerWaalsContact O-CZ 3.28Å; P200-R241 PolarHBondContact O-NH1 3Å; P200-R241 PolarHBondContact O-NH2 3.01Å; L205-R241 HydrophobicContact CD1-CB 4.13Å; L205-R241 HydrophobicContact CD1-CG 4.03Å; L205-R241 VanDerWaalsContact CD1-NH1 3.35Å; I234-R241 HydrophobicContact CG2-CB 3.76Å; S238-R241 WeakPolarHBondContact OG-CB 3.34Å; S238-R241 WeakPolarHBondContact OG-CG 3.49Å; S238-R241 PolarHBondContact OG-N 3.04Å; S238-R241 VanDerWaalsContact OG-N 3.13Å; R241-P243 VanDerWaalsContact C-N 3.32Å; R241-L244 WeakPolarHBondContact O-CB 3.15Å; R241-L244 PolarHBondContact O-N 3.16Å; R241-V245 PolarHBondContact O-N 3.32Å
242	A	93.8	Very high	94.1	Very high	11 Å²	11	48.6 Å²	48.6	9%	0.091	27%	0.267	C	S	.	.	H	α-helix	trans	-51.2	-38.1	176.9	0	0	0	0	0	115	S238 L244 V245 N246	S238-A242 VanDerWaalsContact O-CB 3.24Å; S238-A242 WeakPolarHBondContact O-CB 3.06Å; S238-A242 PolarHBondContact O-N 2.74Å; A242-L244 VanDerWaalsContact C-N 3.3Å; A242-L244 PolarHBondContact O-N 3.49Å; A242-V245 PolarHBondContact O-N 2.94Å; A242-N246 WeakPolarHBondContact O-CB 3.32Å; A242-N246 PolarHBondContact O-N 3.29Å; A242-N246 PolarHBondContact O-ND2 3.48Å
243	P	94.1	Very high	93.9	Very high	81 Å²	81	48 Å²	48	53%	0.526	27%	0.267	S	S	.	.	H	α-helix	trans	-62.2	-32.4	175	-24.3	35.6	0	0	0	114.2	S239 R241 K247	S239-P243 WeakPolarHBondContact O-CD 3.32Å; R241-P243 VanDerWaalsContact C-N 3.32Å; P243-K247 WeakPolarHBondContact O-CB 3.38Å; P243-K247 PolarHBondContact O-N 3.02Å
244	L	95.6	Very high	93.8	Very high	41 Å²	41	46.1 Å²	46.1	22%	0.215	26%	0.257	C	S	.	.	H	α-helix	trans	-68.1	-47.5	175.1	177.1	63	0	0	0	110.3	L205 V206 R241 A242 K247 Q248	L205-L244 HydrophobicContact CB-CD2 4.07Å; L205-L244 HydrophobicContact CD1-CD2 4.27Å; V206-L244 HydrophobicContact CG2-CD1 4.22Å; R241-L244 WeakPolarHBondContact O-CB 3.15Å; R241-L244 PolarHBondContact O-N 3.16Å; A242-L244 VanDerWaalsContact C-N 3.3Å; A242-L244 PolarHBondContact O-N 3.49Å; L244-K247 PolarHBondContact O-N 3.36Å; L244-Q248 HydrophobicContact CD1-CG 4.24Å; L244-Q248 WeakPolarHBondContact O-CG 3.33Å; L244-Q248 PolarHBondContact O-N 2.94Å; L244-Q248 VanDerWaalsContact O-N 3.08Å
245	V	95.2	Very high	93.7	Very high	3 Å²	3	47.2 Å²	47.2	2%	0.018	26%	0.264	C	S	.	.	H	α-helix	trans	-61	-48.6	178.5	178.9	0	0	0	0	111	L231 I234 I235 R241 A242 K247 Q248 V249	L231-V245 HydrophobicContact CB-CG1 4.19Å; L231-V245 HydrophobicContact CD1-CG1 4.36Å; L231-V245 HydrophobicContact CD2-CG1 3.9Å; L231-V245 HydrophobicContact CD2-CG2 4.03Å; L231-V245 HydrophobicContact CG-CG1 4.37Å; I234-V245 HydrophobicContact CB-CG2 4.28Å; I234-V245 HydrophobicContact CD1-CG2 4.32Å; I234-V245 HydrophobicContact CG2-CG2 3.62Å; I235-V245 HydrophobicContact CD1-CB 4.42Å; I235-V245 HydrophobicContact CD1-CG1 3.66Å; I235-V245 HydrophobicContact CG1-CB 4.28Å; I235-V245 HydrophobicContact CG1-CG1 4.02Å; R241-V245 PolarHBondContact O-N 3.32Å; A242-V245 PolarHBondContact O-N 2.94Å; V245-K247 PolarHBondContact O-N 2.89Å; V245-Q248 PolarHBondContact O-N 3.38Å; V245-V249 HydrophobicContact CG1-CG2 4.42Å; V245-V249 PolarHBondContact O-N 3.35Å
246	N	93.7	Very high	93.6	Very high	71 Å²	71	51.1 Å²	51.1	38%	0.38	28%	0.278	S	S	.	.	H	α-helix	trans	-60.5	-28.6	178	-73.5	-42.5	0	0	0	113.4	A242	A242-N246 WeakPolarHBondContact O-CB 3.32Å; A242-N246 PolarHBondContact O-N 3.29Å; A242-N246 PolarHBondContact O-ND2 3.48Å
247	K	94.7	Very high	93.7	Very high	167 Å²	167	50.3 Å²	50.3	73%	0.726	27%	0.273	S	S	*	.	H	α-helix	trans	-76	-34.3	173.8	-177.7	-177.8	175.9	-173.5	0	112.4	P243 L244 V245	P243-K247 WeakPolarHBondContact O-CB 3.38Å; P243-K247 PolarHBondContact O-N 3.02Å; L244-K247 PolarHBondContact O-N 3.36Å; V245-K247 PolarHBondContact O-N 2.89Å
248	Q	96.1	Very high	94	Very high	37 Å²	37	45.8 Å²	45.8	17%	0.173	25%	0.249	C	C	.	.	H	α-helix	trans	-87.8	-26.2	-175.7	-65.2	-65.3	1	0	0	113.6	V206 A209 L244 V245 P250	V206-Q248 HydrophobicContact CG2-CG 4.05Å; A209-Q248 HydrophobicContact CB-CB 3.77Å; L244-Q248 HydrophobicContact CD1-CG 4.24Å; L244-Q248 WeakPolarHBondContact O-CG 3.33Å; L244-Q248 PolarHBondContact O-N 2.94Å; L244-Q248 VanDerWaalsContact O-N 3.08Å; V245-Q248 PolarHBondContact O-N 3.38Å; Q248-P250 WeakPolarHBondContact O-CD 3.46Å
249	V	96.1	Very high	94.1	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	27%	0.273	C	S	.	.	S	Bend	trans	-118.5	90.6	-177.9	-173.7	0	0	0	0	109.8	A209 V213 L231 V245 L254 M276	A209-V249 HydrophobicContact CB-CG2 3.64Å; V213-V249 HydrophobicContact CG2-CB 4.28Å; V213-V249 HydrophobicContact CG2-CG1 4.19Å; V213-V249 HydrophobicContact CG2-CG2 3.97Å; L231-V249 HydrophobicContact CD1-CG2 3.88Å; V245-V249 HydrophobicContact CG1-CG2 4.42Å; V245-V249 PolarHBondContact O-N 3.35Å; V249-L254 HydrophobicContact CG1-CD1 4.44Å; V249-L254 HydrophobicContact CG1-CD2 3.68Å; V249-L254 HydrophobicContact CG1-CG 4.08Å; V249-M276 WeakPolarHBondContact O-CE 3.31Å
250	P	93.8	Very high	94.3	Very high	64 Å²	64	46.9 Å²	46.9	42%	0.416	24%	0.243	S	C	.	.			trans	-59.6	140.1	169.4	-21.6	33.2	0	0	0	110.5	Q248 E252 S253	Q248-P250 WeakPolarHBondContact O-CD 3.46Å; P250-E252 PolarHBondContact O-N 3.07Å; P250-S253 WeakPolarHBondContact O-CB 3.31Å; P250-S253 PolarHBondContact O-N 2.87Å; P250-S253 PolarHBondContact O-OG 2.63Å
251	F	94.2	Very high	94.3	Very high	11 Å²	11	49.8 Å²	49.8	5%	0.048	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-60.6	-36.8	-174.9	-170.9	-92.1	0	0	0	112.2	S253 L254 M273 M276 I288 V291 L292	F251-S253 PolarHBondContact O-N 3.13Å; F251-L254 WeakPolarHBondContact O-CB 3.49Å; F251-L254 PolarHBondContact O-N 3.29Å; F251-M273 HydrophobicContact CE1-CE 3.55Å; F251-M273 HydrophobicContact CE2-CB 3.85Å; F251-M273 HydrophobicContact CE2-CE 4.26Å; F251-M273 HydrophobicContact CE2-CG 3.96Å; F251-M273 HydrophobicContact CZ-CB 3.98Å; F251-M273 HydrophobicContact CZ-CE 3.38Å; F251-M273 HydrophobicContact CZ-CG 4.01Å; F251-M276 HydrophobicContact CB-CE 4.44Å; F251-M276 HydrophobicContact CD2-CB 4.29Å; F251-M276 HydrophobicContact CD2-CE 4.29Å; F251-M276 HydrophobicContact CD2-SD 4.11Å; F251-M276 HydrophobicContact CE2-CB 4.44Å; F251-I288 HydrophobicContact CB-CG1 4.34Å; F251-I288 HydrophobicContact CD1-CG1 4.41Å; F251-I288 HydrophobicContact CD1-CG2 4.29Å; F251-I288 HydrophobicContact CD2-CD1 4.08Å; F251-I288 HydrophobicContact CD2-CG1 3.86Å; F251-I288 HydrophobicContact CD2-CG2 4.09Å; F251-I288 HydrophobicContact CE1-CG2 3.84Å; F251-I288 HydrophobicContact CE2-CD1 4.4Å; F251-I288 HydrophobicContact CE2-CG1 4.24Å; F251-I288 HydrophobicContact CE2-CG2 3.6Å; F251-I288 HydrophobicContact CG-CG1 3.95Å; F251-I288 HydrophobicContact CG-CG2 4.41Å; F251-I288 HydrophobicContact CZ-CG2 3.47Å; F251-I288 VanDerWaalsContact CZ-CG2 3.47Å; F251-V291 HydrophobicContact CD1-CB 4.23Å; F251-V291 HydrophobicContact CD1-CG1 3.89Å; F251-V291 HydrophobicContact CE1-CB 4.49Å; F251-V291 HydrophobicContact CE1-CG1 4.19Å; F251-L292 HydrophobicContact CE1-CD2 4Å; F251-L292 HydrophobicContact CE1-CG 3.96Å; F251-L292 HydrophobicContact CZ-CD1 4.26Å; F251-L292 HydrophobicContact CZ-CD2 3.97Å; F251-L292 HydrophobicContact CZ-CG 4.05Å
252	E	92.8	Very high	94.2	Very high	112 Å²	112	50 Å²	50	52%	0.523	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-62.1	-28.9	176.9	-58.5	79.3	-178.4	0	0	112.6	P250 L254 V255 V291	P250-E252 PolarHBondContact O-N 3.07Å; E252-L254 PolarHBondContact O-N 2.88Å; E252-V255 WeakPolarHBondContact O-CB 3.32Å; E252-V255 WeakPolarHBondContact O-CG2 3.44Å; E252-V255 PolarHBondContact O-N 3.4Å; E252-V291 HydrophobicContact CG-CG1 4.17Å; E252-V291 HydrophobicContact CG-CG2 4.07Å; E252-V291 WeakPolarHBondContact OE1-CG2 3.17Å
253	S	93.3	Very high	94.2	Very high	26 Å²	26	54 Å²	54	18%	0.182	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-69.3	-20.3	179.6	74.8	0	0	0	0	113.2	P250 F251 R256	P250-S253 WeakPolarHBondContact O-CB 3.31Å; P250-S253 PolarHBondContact O-N 2.87Å; P250-S253 PolarHBondContact O-OG 2.63Å; F251-S253 PolarHBondContact O-N 3.13Å; S253-R256 WeakPolarHBondContact O-CG 3.36Å
254	L	95.4	Very high	94.2	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-77	-23.4	178.8	-61.8	-177.8	0	0	0	112.9	V212 V249 F251 E252 R256 H257 V269 L272 M273 M276	V212-L254 HydrophobicContact CG1-CD2 3.64Å; V249-L254 HydrophobicContact CG1-CD1 4.44Å; V249-L254 HydrophobicContact CG1-CD2 3.68Å; V249-L254 HydrophobicContact CG1-CG 4.08Å; F251-L254 WeakPolarHBondContact O-CB 3.49Å; F251-L254 PolarHBondContact O-N 3.29Å; E252-L254 PolarHBondContact O-N 2.88Å; L254-R256 PolarHBondContact O-N 3.18Å; L254-R256 VanDerWaalsContact O-N 3.12Å; L254-H257 WeakPolarHBondContact O-CB 3.25Å; L254-H257 PolarHBondContact O-N 3.06Å; L254-V269 HydrophobicContact CB-CG2 3.8Å; L254-V269 HydrophobicContact CD2-CG2 4.48Å; L254-V269 WeakPolarHBondContact O-CG2 3.45Å; L254-L272 HydrophobicContact CD1-CD2 3.97Å; L254-L272 HydrophobicContact CD1-CG 3.96Å; L254-L272 HydrophobicContact CD2-CD2 3.77Å; L254-M273 HydrophobicContact CB-CG 4.15Å; L254-M273 HydrophobicContact CB-SD 4.32Å; L254-M273 HydrophobicContact CD1-CG 3.7Å; L254-M276 HydrophobicContact CD1-SD 3.63Å
255	V	93.8	Very high	94.2	Very high	22 Å²	22	52.9 Å²	52.9	13%	0.133	28%	0.277	C	S	.	.	H	α-helix	trans	-55.9	-36.5	-173.9	179.5	0	0	0	0	111.9	E252 H257 L258 V297	E252-V255 WeakPolarHBondContact O-CB 3.32Å; E252-V255 WeakPolarHBondContact O-CG2 3.44Å; E252-V255 PolarHBondContact O-N 3.4Å; V255-H257 PolarHBondContact O-N 2.86Å; V255-L258 WeakPolarHBondContact O-CB 3.31Å; V255-L258 PolarHBondContact O-N 3.41Å; V255-L258 VanDerWaalsContact O-N 3.12Å; V255-V297 HydrophobicContact CB-CG2 4.48Å; V255-V297 HydrophobicContact CG1-CG2 3.96Å; V255-V297 HydrophobicContact CG2-CG1 4.48Å; V255-V297 HydrophobicContact CG2-CG2 3.61Å
256	R	93.4	Very high	94.2	Very high	86 Å²	86	53 Å²	53	33%	0.325	28%	0.277	S	S	.	.	H	α-helix	trans	-58.2	-29	177.4	77.6	-167.1	-167.3	104.2	-0.7	113.9	V212 E219 S253 L254 E259	V212-R256 PolarHBondContact O-NH2 3.47Å; E219-R256 IonicContact OE1-CZ 3.98Å; E219-R256 IonicContact OE1-NH1 3.63Å; E219-R256 PolarHBondContact OE1-NH1 2.73Å; E219-R256 IonicContact OE1-NH2 3.66Å; S253-R256 WeakPolarHBondContact O-CG 3.36Å; L254-R256 PolarHBondContact O-N 3.18Å; L254-R256 VanDerWaalsContact O-N 3.12Å; R256-E259 PolarHBondContact O-N 3.12Å
257	H	95.7	Very high	94.3	Very high	7 Å²	7	52.6 Å²	52.6	3%	0.032	27%	0.273	C	S	.	.	H	α-helix	trans	-80.5	-18.9	-178.5	-62	-55.1	0	0	0	112.8	V212 M228 L254 V255 E259 S260 V265 V269	V212-H257 PolarHBondContact O-CE1 3.5Å; V212-H257 PolarHBondContact O-NE2 3.32Å; M228-H257 HydrophobicContact CE-CB 4.36Å; M228-H257 HydrophobicContact SD-CB 4.4Å; L254-H257 WeakPolarHBondContact O-CB 3.25Å; L254-H257 PolarHBondContact O-N 3.06Å; V255-H257 PolarHBondContact O-N 2.86Å; H257-E259 PolarHBondContact O-N 3.29Å; H257-S260 VanDerWaalsContact O-CB 3.22Å; H257-S260 WeakPolarHBondContact O-CB 3.24Å; H257-S260 PolarHBondContact O-N 3.3Å; H257-V265 HydrophobicContact CB-CG1 4.05Å; H257-V269 HydrophobicContact CB-CB 3.83Å; H257-V269 HydrophobicContact CB-CG1 4.06Å; H257-V269 HydrophobicContact CB-CG2 3.81Å
258	L	94.9	Very high	94.4	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-65.8	-24.2	169.2	-60.4	170.2	0	0	0	111.5	V255 S260 V269 L270 M273 V297 A300 L301 N304 I305	V255-L258 WeakPolarHBondContact O-CB 3.31Å; V255-L258 PolarHBondContact O-N 3.41Å; V255-L258 VanDerWaalsContact O-N 3.12Å; L258-S260 VanDerWaalsContact C-N 3.31Å; L258-V269 HydrophobicContact CD2-CG1 3.65Å; L258-V269 HydrophobicContact CG-CG1 4.24Å; L258-L270 HydrophobicContact CD2-CD2 3.63Å; L258-L270 HydrophobicContact CD2-CG 4.01Å; L258-M273 HydrophobicContact CD1-CE 4.25Å; L258-M273 HydrophobicContact CD1-SD 4.19Å; L258-M273 HydrophobicContact CD2-SD 4.12Å; L258-M273 HydrophobicContact CG-SD 4.32Å; L258-V297 HydrophobicContact CD1-CG1 4.01Å; L258-A300 HydrophobicContact CB-CB 3.97Å; L258-A300 HydrophobicContact CD1-CB 4.29Å; L258-L301 HydrophobicContact CD1-CD2 4.25Å; L258-L301 HydrophobicContact CD1-CG 4.37Å; L258-L301 HydrophobicContact CD2-CD2 4.14Å; L258-N304 VanDerWaalsContact O-CB 3.24Å; L258-N304 WeakPolarHBondContact O-CB 3.4Å; L258-I305 HydrophobicContact CB-CD1 4.28Å; L258-I305 HydrophobicContact CD2-CD1 3.69Å
259	E	93.7	Very high	94.5	Very high	119 Å²	119	43.2 Å²	43.2	56%	0.556	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.5	-0.4	177.7	-46.4	-168.8	136.6	0	0	112.9	R256 H257 A300	R256-E259 PolarHBondContact O-N 3.12Å; H257-E259 PolarHBondContact O-N 3.29Å; E259-A300 HydrophobicContact CG-CB 4.02Å
260	S	93	Very high	94.5	Very high	27 Å²	27	43.2 Å²	43.2	19%	0.189	23%	0.232	C	C	.	.			trans	-64.6	143.9	174.8	-170.9	0	0	0	0	111.7	H257 L258 D262 Q266	H257-S260 VanDerWaalsContact O-CB 3.22Å; H257-S260 WeakPolarHBondContact O-CB 3.24Å; H257-S260 PolarHBondContact O-N 3.3Å; L258-S260 VanDerWaalsContact C-N 3.31Å; S260-D262 VanDerWaalsContact C-N 3.32Å; S260-D262 PolarHBondContact OG-N 3.05Å; S260-Q266 PolarHBondContact O-NE2 3.25Å
261	S	92.1	Very high	94.7	Very high	122 Å²	122	40.3 Å²	40.3	85%	0.853	21%	0.213	S	C	*	.	S	Bend	trans	-80.3	-10.4	170.6	56.5	0	0	0	0	113.8
262	D	93.2	Very high	94.9	Very high	42 Å²	42	39.8 Å²	39.8	23%	0.225	21%	0.211	C	C	.	.			trans	-89.4	120.4	179	-173.4	-70.6	0	0	0	111.2	P221 S260 N264 V265 Q266	P221-D262 HydrophobicContact CB-CB 3.93Å; P221-D262 HydrophobicContact CG-CB 4.49Å; S260-D262 VanDerWaalsContact C-N 3.32Å; S260-D262 PolarHBondContact OG-N 3.05Å; D262-N264 VanDerWaalsContact C-N 3.25Å; D262-N264 PolarHBondContact O-N 2.83Å; D262-N264 WeakPolarHBondContact OD1-CA 3.29Å; D262-N264 WeakPolarHBondContact OD1-CB 3.26Å; D262-N264 PolarHBondContact OD1-N 3.23Å; D262-N264 PolarHBondContact OD1-ND2 3.47Å; D262-V265 HydrophobicContact CB-CB 4.14Å; D262-V265 HydrophobicContact CB-CG2 3.85Å; D262-V265 WeakPolarHBondContact O-CB 3.37Å; D262-V265 PolarHBondContact O-N 3.01Å; D262-V265 VanDerWaalsContact O-N 3.13Å; D262-V265 PolarHBondContact OD1-N 3.21Å; D262-V265 VanDerWaalsContact OD1-N 3.11Å; D262-Q266 PolarHBondContact O-N 3.17Å
263	L	93	Very high	95.1	Very high	97 Å²	97	34.5 Å²	34.5	51%	0.508	19%	0.186	S	C	.	.	H	α-helix	trans	-64.1	-26	-177.3	-62.1	176.4	0	0	0	113.6	H267 L314	L263-H267 VanDerWaalsContact O-CB 3.29Å; L263-H267 WeakPolarHBondContact O-CB 3.47Å; L263-H267 PolarHBondContact O-N 3.4Å; L263-L314 HydrophobicContact CD2-CD1 4.13Å
264	N	93.8	Very high	95.3	Very high	98 Å²	98	33.6 Å²	33.6	52%	0.524	18%	0.179	S	C	.	.	H	α-helix	trans	-76.5	-36.5	176.2	-45.4	-80.7	0	0	0	110.6	D262 H267 S268	D262-N264 VanDerWaalsContact C-N 3.25Å; D262-N264 PolarHBondContact O-N 2.83Å; D262-N264 WeakPolarHBondContact OD1-CA 3.29Å; D262-N264 WeakPolarHBondContact OD1-CB 3.26Å; D262-N264 PolarHBondContact OD1-N 3.23Å; D262-N264 PolarHBondContact OD1-ND2 3.47Å; N264-H267 PolarHBondContact O-N 2.84Å; N264-S268 VanDerWaalsContact O-CB 3.29Å; N264-S268 WeakPolarHBondContact O-CB 3.37Å; N264-S268 PolarHBondContact O-N 3.09Å; N264-S268 PolarHBondContact O-OG 3.04Å
265	V	96	Very high	95.4	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-63	-48.8	171.3	177.6	0	0	0	0	109.7	P221 L224 M228 H257 D262 H267 S268 V269	P221-V265 HydrophobicContact CB-CG2 3.82Å; P221-V265 VanDerWaalsContact O-CG2 3.32Å; P221-V265 WeakPolarHBondContact O-CG2 3.31Å; L224-V265 HydrophobicContact CB-CG2 4.33Å; M228-V265 HydrophobicContact CE-CG1 3.79Å; H257-V265 HydrophobicContact CB-CG1 4.05Å; D262-V265 HydrophobicContact CB-CB 4.14Å; D262-V265 HydrophobicContact CB-CG2 3.85Å; D262-V265 WeakPolarHBondContact O-CB 3.37Å; D262-V265 PolarHBondContact O-N 3.01Å; D262-V265 VanDerWaalsContact O-N 3.13Å; D262-V265 PolarHBondContact OD1-N 3.21Å; D262-V265 VanDerWaalsContact OD1-N 3.11Å; V265-H267 VanDerWaalsContact C-N 3.35Å; V265-H267 PolarHBondContact O-N 2.91Å; V265-S268 PolarHBondContact O-N 2.93Å; V265-V269 WeakPolarHBondContact O-CG1 3.14Å; V265-V269 PolarHBondContact O-N 3.27Å
266	Q	95.3	Very high	95.5	Very high	5 Å²	5	33.4 Å²	33.4	2%	0.023	18%	0.179	C	C	.	.	H	α-helix	trans	-57.9	-42.8	174.6	-68.3	-172.3	-9.2	0	0	112.8	S260 D262 V269 L270 N304 I305 L314	S260-Q266 PolarHBondContact O-NE2 3.25Å; D262-Q266 PolarHBondContact O-N 3.17Å; Q266-V269 WeakPolarHBondContact O-CG1 3.35Å; Q266-L270 WeakPolarHBondContact O-CG 3.32Å; Q266-L270 PolarHBondContact O-N 3.43Å; Q266-N304 PolarHBondContact NE2-O 2.76Å; Q266-I305 HydrophobicContact CG-CG1 4.37Å; Q266-L314 HydrophobicContact CB-CD2 4.23Å
267	H	96	Very high	95.7	Very high	63 Å²	63	29.5 Å²	29.5	29%	0.292	16%	0.164	S	C	.	.	H	α-helix	trans	-65.6	-47.2	177.1	179.1	-81	0	0	0	111.9	L263 N264 V265 L270 A271 L314	L263-H267 VanDerWaalsContact O-CB 3.29Å; L263-H267 WeakPolarHBondContact O-CB 3.47Å; L263-H267 PolarHBondContact O-N 3.4Å; N264-H267 PolarHBondContact O-N 2.84Å; V265-H267 VanDerWaalsContact C-N 3.35Å; V265-H267 PolarHBondContact O-N 2.91Å; H267-L270 PolarHBondContact O-N 3.39Å; H267-A271 WeakPolarHBondContact O-CB 3.29Å; H267-A271 PolarHBondContact O-N 3.2Å; H267-L314 HydrophobicContact CB-CD2 3.93Å
268	S	97.3	Very high	95.6	Very high	7 Å²	7	31.6 Å²	31.6	5%	0.049	18%	0.18	C	C	.	.	H	α-helix	trans	-69.3	-35.5	-175.9	-51.4	0	0	0	0	112.1	S225 N264 V265 L272	S225-S268 PolarHBondContact O-OG 3.45Å; N264-S268 VanDerWaalsContact O-CB 3.29Å; N264-S268 WeakPolarHBondContact O-CB 3.37Å; N264-S268 PolarHBondContact O-N 3.09Å; N264-S268 PolarHBondContact O-OG 3.04Å; V265-S268 PolarHBondContact O-N 2.93Å; S268-L272 WeakPolarHBondContact O-CB 3.2Å; S268-L272 PolarHBondContact O-N 3.42Å
269	V	97.5	Very high	95.5	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-68	-43.3	173.9	70.7	0	0	0	0	111.5	M228 L254 H257 L258 V265 Q266 A271 L272 M273	M228-V269 HydrophobicContact CE-CB 4.1Å; M228-V269 HydrophobicContact SD-CB 3.61Å; M228-V269 HydrophobicContact SD-CG2 3.99Å; L254-V269 HydrophobicContact CB-CG2 3.8Å; L254-V269 HydrophobicContact CD2-CG2 4.48Å; L254-V269 WeakPolarHBondContact O-CG2 3.45Å; H257-V269 HydrophobicContact CB-CB 3.83Å; H257-V269 HydrophobicContact CB-CG1 4.06Å; H257-V269 HydrophobicContact CB-CG2 3.81Å; L258-V269 HydrophobicContact CD2-CG1 3.65Å; L258-V269 HydrophobicContact CG-CG1 4.24Å; V265-V269 WeakPolarHBondContact O-CG1 3.14Å; V265-V269 PolarHBondContact O-N 3.27Å; Q266-V269 WeakPolarHBondContact O-CG1 3.35Å; V269-A271 VanDerWaalsContact C-N 3.34Å; V269-A271 PolarHBondContact O-N 2.88Å; V269-L272 PolarHBondContact O-N 3.39Å; V269-M273 HydrophobicContact CG2-CG 4.21Å; V269-M273 HydrophobicContact CG2-SD 3.9Å; V269-M273 WeakPolarHBondContact O-CB 3.17Å; V269-M273 VanDerWaalsContact O-CG 3.24Å; V269-M273 WeakPolarHBondContact O-CG 3.34Å; V269-M273 PolarHBondContact O-N 2.92Å
270	L	97.2	Very high	95.5	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-63.7	-40.9	177.3	-72.5	173.5	0	0	0	111.5	L258 Q266 H267 M273 N274 L301 I305 L314 Q317 L318 L321	L258-L270 HydrophobicContact CD2-CD2 3.63Å; L258-L270 HydrophobicContact CD2-CG 4.01Å; Q266-L270 WeakPolarHBondContact O-CG 3.32Å; Q266-L270 PolarHBondContact O-N 3.43Å; H267-L270 PolarHBondContact O-N 3.39Å; L270-M273 PolarHBondContact O-N 3.15Å; L270-N274 VanDerWaalsContact O-CB 3.27Å; L270-N274 WeakPolarHBondContact O-CB 3.42Å; L270-N274 PolarHBondContact O-N 3.43Å; L270-N274 PolarHBondContact O-ND2 2.96Å; L270-L301 HydrophobicContact CD2-CD2 3.92Å; L270-I305 HydrophobicContact CD1-CD1 4.15Å; L270-I305 HydrophobicContact CG-CD1 4.47Å; L270-L314 HydrophobicContact CD1-CD2 3.9Å; L270-Q317 HydrophobicContact CB-CB 3.77Å; L270-Q317 HydrophobicContact CB-CG 4.25Å; L270-Q317 HydrophobicContact CD1-CB 4.1Å; L270-L318 HydrophobicContact CD1-CD2 4.49Å; L270-L321 HydrophobicContact CD2-CD2 4.02Å
271	A	97.5	Very high	95.5	Very high	2 Å²	2	37.4 Å²	37.4	2%	0.017	21%	0.209	C	C	.	.	H	α-helix	trans	-60.7	-46.5	174.9	0	0	0	0	0	111.8	E232 H267 V269 N274 A275	E232-A271 HydrophobicContact CG-CB 4.29Å; E232-A271 WeakPolarHBondContact OE2-CB 3.32Å; H267-A271 WeakPolarHBondContact O-CB 3.29Å; H267-A271 PolarHBondContact O-N 3.2Å; V269-A271 VanDerWaalsContact C-N 3.34Å; V269-A271 PolarHBondContact O-N 2.88Å; A271-N274 PolarHBondContact O-N 3.07Å; A271-A275 WeakPolarHBondContact O-CB 3.24Å; A271-A275 PolarHBondContact O-N 3.3Å
272	L	98	Very high	95.5	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-61.7	-45.8	175.3	176.9	58.6	0	0	0	112.3	M228 L231 I235 L254 S268 V269 N274 A275 M276	M228-L272 HydrophobicContact CB-CD2 4.05Å; M228-L272 HydrophobicContact CG-CD2 3.85Å; M228-L272 HydrophobicContact SD-CD2 4.41Å; L231-L272 HydrophobicContact CB-CD1 3.77Å; L231-L272 HydrophobicContact CB-CD2 4.27Å; L231-L272 HydrophobicContact CD1-CD2 4.34Å; I235-L272 HydrophobicContact CD1-CD1 3.56Å; L254-L272 HydrophobicContact CD1-CD2 3.97Å; L254-L272 HydrophobicContact CD1-CG 3.96Å; L254-L272 HydrophobicContact CD2-CD2 3.77Å; S268-L272 WeakPolarHBondContact O-CB 3.2Å; S268-L272 PolarHBondContact O-N 3.42Å; V269-L272 PolarHBondContact O-N 3.39Å; L272-N274 VanDerWaalsContact C-N 3.34Å; L272-N274 PolarHBondContact O-N 3.2Å; L272-A275 PolarHBondContact O-N 3.49Å; L272-M276 HydrophobicContact CD1-CG 4.29Å; L272-M276 HydrophobicContact CD1-SD 4.45Å; L272-M276 HydrophobicContact CG-SD 4.42Å; L272-M276 WeakPolarHBondContact O-CG 3.33Å; L272-M276 PolarHBondContact O-N 3.18Å
273	M	97.6	Very high	95.5	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.005	21%	0.21	C	C	.	.	H	α-helix	trans	-60.9	-42.9	176.3	-71.2	173	80.1	0	0	111.4	F251 L254 L258 V269 L270 M276 F277 L292	F251-M273 HydrophobicContact CE1-CE 3.55Å; F251-M273 HydrophobicContact CE2-CB 3.85Å; F251-M273 HydrophobicContact CE2-CE 4.26Å; F251-M273 HydrophobicContact CE2-CG 3.96Å; F251-M273 HydrophobicContact CZ-CB 3.98Å; F251-M273 HydrophobicContact CZ-CE 3.38Å; F251-M273 HydrophobicContact CZ-CG 4.01Å; L254-M273 HydrophobicContact CB-CG 4.15Å; L254-M273 HydrophobicContact CB-SD 4.32Å; L254-M273 HydrophobicContact CD1-CG 3.7Å; L258-M273 HydrophobicContact CD1-CE 4.25Å; L258-M273 HydrophobicContact CD1-SD 4.19Å; L258-M273 HydrophobicContact CD2-SD 4.12Å; L258-M273 HydrophobicContact CG-SD 4.32Å; V269-M273 HydrophobicContact CG2-CG 4.21Å; V269-M273 HydrophobicContact CG2-SD 3.9Å; V269-M273 WeakPolarHBondContact O-CB 3.17Å; V269-M273 VanDerWaalsContact O-CG 3.24Å; V269-M273 WeakPolarHBondContact O-CG 3.34Å; V269-M273 PolarHBondContact O-N 2.92Å; L270-M273 PolarHBondContact O-N 3.15Å; M273-M276 PolarHBondContact O-N 3.04Å; M273-F277 VanDerWaalsContact O-CB 3.27Å; M273-F277 WeakPolarHBondContact O-CB 3.31Å; M273-F277 PolarHBondContact O-N 3.45Å; M273-L292 HydrophobicContact CE-CD2 3.78Å
274	N	97.3	Very high	95.5	Very high	7 Å²	7	35.7 Å²	35.7	4%	0.037	20%	0.2	C	C	.	.	H	α-helix	trans	-62.8	-42.5	174.9	-76.4	-24.6	0	0	0	112.1	L270 A271 L272 F277 S278 Q317 V320 L321 L324	L270-N274 VanDerWaalsContact O-CB 3.27Å; L270-N274 WeakPolarHBondContact O-CB 3.42Å; L270-N274 PolarHBondContact O-N 3.43Å; L270-N274 PolarHBondContact O-ND2 2.96Å; A271-N274 PolarHBondContact O-N 3.07Å; L272-N274 VanDerWaalsContact C-N 3.34Å; L272-N274 PolarHBondContact O-N 3.2Å; N274-F277 PolarHBondContact O-N 2.91Å; N274-S278 WeakPolarHBondContact O-CB 3.24Å; N274-S278 PolarHBondContact O-N 3.29Å; N274-Q317 PolarHBondContact ND2-O 2.79Å; N274-Q317 PolarHBondContact ND2-OE1 3.4Å; N274-V320 HydrophobicContact CB-CG1 3.88Å; N274-L321 WeakPolarHBondContact OD1-CA 3.31Å; N274-L321 WeakPolarHBondContact OD1-CB 3.44Å; N274-L321 PolarHBondContact OD1-N 3.28Å; N274-L324 HydrophobicContact CB-CD1 4.31Å
275	A	96.6	Very high	95.6	Very high	9 Å²	9	36 Å²	36	7%	0.074	19%	0.194	C	C	.	.	H	α-helix	trans	-63.7	-48.3	176.5	0	0	0	0	0	111.6	E232 I235 A271 L272 F277 S278 K279	E232-A275 HydrophobicContact CG-CB 3.79Å; I235-A275 HydrophobicContact CB-CB 4.46Å; I235-A275 HydrophobicContact CG2-CB 4.01Å; A271-A275 WeakPolarHBondContact O-CB 3.24Å; A271-A275 PolarHBondContact O-N 3.3Å; L272-A275 PolarHBondContact O-N 3.49Å; A275-F277 PolarHBondContact O-N 2.97Å; A275-S278 PolarHBondContact O-N 2.94Å; A275-K279 VanDerWaalsContact O-CB 3.3Å; A275-K279 WeakPolarHBondContact O-CB 3.27Å; A275-K279 VanDerWaalsContact O-CG 3.27Å; A275-K279 WeakPolarHBondContact O-CG 3.41Å; A275-K279 PolarHBondContact O-N 2.85Å
276	M	96.7	Very high	95.5	Very high	9 Å²	9	39.3 Å²	39.3	4%	0.044	21%	0.21	C	C	.	.	H	α-helix	trans	-56.8	-49.4	174.9	-71.9	-179.2	80.4	0	0	111.5	I235 V249 F251 L254 L272 M273 K279 A280	I235-M276 HydrophobicContact CD1-CG 3.55Å; I235-M276 HydrophobicContact CD1-SD 4.5Å; V249-M276 WeakPolarHBondContact O-CE 3.31Å; F251-M276 HydrophobicContact CB-CE 4.44Å; F251-M276 HydrophobicContact CD2-CB 4.29Å; F251-M276 HydrophobicContact CD2-CE 4.29Å; F251-M276 HydrophobicContact CD2-SD 4.11Å; F251-M276 HydrophobicContact CE2-CB 4.44Å; L254-M276 HydrophobicContact CD1-SD 3.63Å; L272-M276 HydrophobicContact CD1-CG 4.29Å; L272-M276 HydrophobicContact CD1-SD 4.45Å; L272-M276 HydrophobicContact CG-SD 4.42Å; L272-M276 WeakPolarHBondContact O-CG 3.33Å; L272-M276 PolarHBondContact O-N 3.18Å; M273-M276 PolarHBondContact O-N 3.04Å; M276-K279 PolarHBondContact O-N 3.19Å; M276-A280 WeakPolarHBondContact O-CB 3.45Å; M276-A280 PolarHBondContact O-N 3.02Å
277	F	96.3	Very high	95.5	Very high	4 Å²	4	45.3 Å²	45.3	2%	0.018	24%	0.238	C	C	.	.	H	α-helix	trans	-67	-43.1	-177.1	-168.3	-172.3	0	0	0	112	M273 N274 A275 K279 R285 I288 A289 L292 L324 M325 V328	M273-F277 VanDerWaalsContact O-CB 3.27Å; M273-F277 WeakPolarHBondContact O-CB 3.31Å; M273-F277 PolarHBondContact O-N 3.45Å; N274-F277 PolarHBondContact O-N 2.91Å; A275-F277 PolarHBondContact O-N 2.97Å; F277-K279 PolarHBondContact O-N 3.35Å; F277-R285 HydrophobicContact CD2-CB 4.26Å; F277-R285 HydrophobicContact CD2-CG 4.2Å; F277-R285 HydrophobicContact CE2-CB 4.01Å; F277-R285 HydrophobicContact CE2-CG 4.36Å; F277-R285 WeakPolarHBondContact CE2-O 3.31Å; F277-I288 HydrophobicContact CB-CG2 3.86Å; F277-I288 HydrophobicContact CD1-CG2 3.93Å; F277-I288 HydrophobicContact CD2-CB 4.11Å; F277-I288 HydrophobicContact CD2-CG2 3.6Å; F277-I288 HydrophobicContact CE1-CG2 4.36Å; F277-I288 HydrophobicContact CE2-CB 4.44Å; F277-I288 HydrophobicContact CE2-CG2 4.07Å; F277-I288 HydrophobicContact CG-CG2 3.53Å; F277-I288 HydrophobicContact CZ-CG2 4.43Å; F277-A289 HydrophobicContact CE2-CB 4.37Å; F277-A289 HydrophobicContact CZ-CB 3.95Å; F277-L292 HydrophobicContact CD1-CD1 3.62Å; F277-L292 HydrophobicContact CE1-CD1 3.45Å; F277-L292 VanDerWaalsContact CE1-CD1 3.45Å; F277-L292 HydrophobicContact CZ-CD1 4.29Å; F277-L324 HydrophobicContact CB-CD1 4.23Å; F277-L324 HydrophobicContact CD1-CB 3.5Å; F277-L324 HydrophobicContact CD1-CD1 4.15Å; F277-L324 HydrophobicContact CD1-CG 4.43Å; F277-L324 VanDerWaalsContact CE1-C 3.48Å; F277-L324 HydrophobicContact CE1-CB 3.54Å; F277-L324 HydrophobicContact CG-CB 4.17Å; F277-L324 HydrophobicContact CG-CD1 4.37Å; F277-L324 HydrophobicContact CZ-CB 4.23Å; F277-L324 WeakPolarHBondContact CZ-O 3Å; F277-M325 HydrophobicContact CE1-CG 4Å; F277-V328 HydrophobicContact CE2-CG1 4.07Å; F277-V328 HydrophobicContact CZ-CG1 3.73Å
278	S	94.3	Very high	95.5	Very high	51 Å²	51	43.1 Å²	43.1	36%	0.357	23%	0.228	S	C	.	.	H	α-helix	trans	-63.5	-40.8	176.9	-175.1	0	0	0	0	112.4	N274 A275 R285	N274-S278 WeakPolarHBondContact O-CB 3.24Å; N274-S278 PolarHBondContact O-N 3.29Å; A275-S278 PolarHBondContact O-N 2.94Å; S278-R285 PolarHBondContact O-NH2 3.18Å
279	K	93.6	Very high	95.5	Very high	110 Å²	110	42.9 Å²	42.9	48%	0.478	23%	0.227	S	C	.	.	H	α-helix	trans	-88.6	-15.8	-175.8	-62.5	-79.2	173.1	154.8	0	114.2	I235 T236 A275 M276 F277	I235-K279 HydrophobicContact CG2-CB 3.93Å; I235-K279 HydrophobicContact CG2-CG 3.95Å; T236-K279 PolarHBondContact O-NZ 2.82Å; A275-K279 VanDerWaalsContact O-CB 3.3Å; A275-K279 WeakPolarHBondContact O-CB 3.27Å; A275-K279 VanDerWaalsContact O-CG 3.27Å; A275-K279 WeakPolarHBondContact O-CG 3.41Å; A275-K279 PolarHBondContact O-N 2.85Å; M276-K279 PolarHBondContact O-N 3.19Å; F277-K279 PolarHBondContact O-N 3.35Å
280	A	92.8	Very high	95.3	Very high	14 Å²	14	47.7 Å²	47.7	12%	0.116	26%	0.256	C	S	.	.	S	Bend	trans	-59.8	148.9	176.8	0	0	0	0	0	112.8	M276 A284 R285 I288	M276-A280 WeakPolarHBondContact O-CB 3.45Å; M276-A280 PolarHBondContact O-N 3.02Å; A280-A284 HydrophobicContact CB-CB 4.05Å; A280-R285 HydrophobicContact CB-CG 3.76Å; A280-R285 WeakPolarHBondContact O-CG 3.4Å; A280-R285 PolarHBondContact O-NE 3.35Å; A280-I288 HydrophobicContact CB-CD1 3.98Å
281	L	92.7	Very high	95.2	Very high	145 Å²	145	48.9 Å²	48.9	76%	0.759	26%	0.264	S	S	*	.			trans	-74	157.8	167.8	-64.4	177	0	0	0	110.8	P283 A284 R285	L281-P283 VanDerWaalsContact O-N 3.17Å; L281-A284 PolarHBondContact O-N 3.4Å; L281-R285 PolarHBondContact O-N 2.87Å
282	L	92.3	Very high	95.1	Very high	92 Å²	92	48.8 Å²	48.8	48%	0.482	26%	0.263	S	S	.	.	H	α-helix	trans	-47.2	-47.1	-172.6	178.1	62.2	0	0	0	115	A284 R285 M286 V331	L282-A284 VanDerWaalsContact C-N 3.35Å; L282-A284 PolarHBondContact O-N 3.2Å; L282-R285 WeakPolarHBondContact O-CB 3.47Å; L282-R285 PolarHBondContact O-N 3.28Å; L282-M286 HydrophobicContact CD1-CG 4.33Å; L282-M286 HydrophobicContact CD1-SD 4.44Å; L282-M286 WeakPolarHBondContact O-CG 3.36Å; L282-M286 PolarHBondContact O-N 3.49Å; L282-M286 VanDerWaalsContact O-N 3.14Å; L282-V331 HydrophobicContact CD1-CG1 4.16Å; L282-V331 HydrophobicContact CD1-CG2 3.6Å; L282-V331 HydrophobicContact CD2-CG1 4.34Å
283	P	94	Very high	95	Very high	96 Å²	96	50.2 Å²	50.2	62%	0.623	27%	0.269	S	S	*	.	H	α-helix	trans	-61.3	-40.9	178.5	-23.4	35	0	0	0	113.3	L281 M286 Q287	L281-P283 VanDerWaalsContact O-N 3.17Å; P283-M286 PolarHBondContact O-N 3.3Å; P283-Q287 PolarHBondContact O-N 2.93Å
284	A	93.5	Very high	94.8	Very high	37 Å²	37	52 Å²	52	31%	0.306	28%	0.284	S	S	.	.	H	α-helix	trans	-72.6	-34.2	177.8	0	0	0	0	0	112.1	A280 L281 L282 M286 Q287 I288	A280-A284 HydrophobicContact CB-CB 4.05Å; L281-A284 PolarHBondContact O-N 3.4Å; L282-A284 VanDerWaalsContact C-N 3.35Å; L282-A284 PolarHBondContact O-N 3.2Å; A284-M286 VanDerWaalsContact C-N 3.31Å; A284-M286 PolarHBondContact O-N 3.47Å; A284-Q287 PolarHBondContact O-N 3.21Å; A284-I288 WeakPolarHBondContact O-CB 3.35Å; A284-I288 WeakPolarHBondContact O-CG1 3.5Å; A284-I288 PolarHBondContact O-N 3.37Å
285	R	94.6	Very high	94.7	Very high	105 Å²	105	57.7 Å²	57.7	40%	0.396	31%	0.309	S	S	.	.	H	α-helix	trans	-57.8	-43.1	171.5	-71.9	-174.1	-178.5	176	-0.8	111.9	F277 S278 A280 L281 L282 I288 A289	F277-R285 HydrophobicContact CD2-CB 4.26Å; F277-R285 HydrophobicContact CD2-CG 4.2Å; F277-R285 HydrophobicContact CE2-CB 4.01Å; F277-R285 HydrophobicContact CE2-CG 4.36Å; F277-R285 WeakPolarHBondContact CE2-O 3.31Å; S278-R285 PolarHBondContact O-NH2 3.18Å; A280-R285 HydrophobicContact CB-CG 3.76Å; A280-R285 WeakPolarHBondContact O-CG 3.4Å; A280-R285 PolarHBondContact O-NE 3.35Å; L281-R285 PolarHBondContact O-N 2.87Å; L282-R285 WeakPolarHBondContact O-CB 3.47Å; L282-R285 PolarHBondContact O-N 3.28Å; R285-I288 PolarHBondContact O-N 3.3Å; R285-A289 WeakPolarHBondContact O-CB 3.34Å; R285-A289 PolarHBondContact O-N 3.31Å
286	M	95.3	Very high	94.5	Very high	68 Å²	68	61.3 Å²	61.3	34%	0.335	33%	0.332	S	S	.	.	H	α-helix	trans	-67.2	-37.3	178.4	-60.9	-57.8	-72.3	0	0	112.1	L282 P283 A284 T290 V328 V331	L282-M286 HydrophobicContact CD1-CG 4.33Å; L282-M286 HydrophobicContact CD1-SD 4.44Å; L282-M286 WeakPolarHBondContact O-CG 3.36Å; L282-M286 PolarHBondContact O-N 3.49Å; L282-M286 VanDerWaalsContact O-N 3.14Å; P283-M286 PolarHBondContact O-N 3.3Å; A284-M286 VanDerWaalsContact C-N 3.31Å; A284-M286 PolarHBondContact O-N 3.47Å; M286-T290 WeakPolarHBondContact O-CB 3.34Å; M286-T290 PolarHBondContact O-N 3.47Å; M286-T290 PolarHBondContact O-OG1 3.12Å; M286-V328 HydrophobicContact SD-CB 4.08Å; M286-V331 HydrophobicContact SD-CG2 4.4Å
287	Q	95.1	Very high	94.3	Very high	132 Å²	132	61.1 Å²	61.1	62%	0.617	33%	0.331	S	S	*	.	H	α-helix	trans	-63.8	-49.1	172.9	-69.4	172	-13.5	0	0	111.9	P283 A284 A289 T290 V291	P283-Q287 PolarHBondContact O-N 2.93Å; A284-Q287 PolarHBondContact O-N 3.21Å; Q287-A289 VanDerWaalsContact C-N 3.33Å; Q287-A289 PolarHBondContact O-N 3.23Å; Q287-T290 WeakPolarHBondContact O-CB 3.45Å; Q287-T290 PolarHBondContact O-N 3.26Å; Q287-T290 VanDerWaalsContact O-N 3.1Å; Q287-V291 PolarHBondContact O-N 2.91Å
288	I	96.3	Very high	94.2	Very high	16 Å²	16	61.8 Å²	61.8	8%	0.082	33%	0.333	C	S	.	.	H	α-helix	trans	-55.7	-47.1	175.8	-73.4	169.5	0	0	0	111.1	F251 F277 A280 A284 R285 T290 V291 L292	F251-I288 HydrophobicContact CB-CG1 4.34Å; F251-I288 HydrophobicContact CD1-CG1 4.41Å; F251-I288 HydrophobicContact CD1-CG2 4.29Å; F251-I288 HydrophobicContact CD2-CD1 4.08Å; F251-I288 HydrophobicContact CD2-CG1 3.86Å; F251-I288 HydrophobicContact CD2-CG2 4.09Å; F251-I288 HydrophobicContact CE1-CG2 3.84Å; F251-I288 HydrophobicContact CE2-CD1 4.4Å; F251-I288 HydrophobicContact CE2-CG1 4.24Å; F251-I288 HydrophobicContact CE2-CG2 3.6Å; F251-I288 HydrophobicContact CG-CG1 3.95Å; F251-I288 HydrophobicContact CG-CG2 4.41Å; F251-I288 HydrophobicContact CZ-CG2 3.47Å; F251-I288 VanDerWaalsContact CZ-CG2 3.47Å; F277-I288 HydrophobicContact CB-CG2 3.86Å; F277-I288 HydrophobicContact CD1-CG2 3.93Å; F277-I288 HydrophobicContact CD2-CB 4.11Å; F277-I288 HydrophobicContact CD2-CG2 3.6Å; F277-I288 HydrophobicContact CE1-CG2 4.36Å; F277-I288 HydrophobicContact CE2-CB 4.44Å; F277-I288 HydrophobicContact CE2-CG2 4.07Å; F277-I288 HydrophobicContact CG-CG2 3.53Å; F277-I288 HydrophobicContact CZ-CG2 4.43Å; A280-I288 HydrophobicContact CB-CD1 3.98Å; A284-I288 WeakPolarHBondContact O-CB 3.35Å; A284-I288 WeakPolarHBondContact O-CG1 3.5Å; A284-I288 PolarHBondContact O-N 3.37Å; R285-I288 PolarHBondContact O-N 3.3Å; I288-T290 VanDerWaalsContact C-N 3.31Å; I288-T290 PolarHBondContact O-N 3.35Å; I288-V291 PolarHBondContact O-N 3.39Å; I288-L292 HydrophobicContact CG2-CD1 3.86Å; I288-L292 HydrophobicContact CG2-CG 4.41Å; I288-L292 WeakPolarHBondContact O-CG 3.37Å; I288-L292 PolarHBondContact O-N 3.14Å
289	A	95.5	Very high	94.2	Very high	3 Å²	3	62.6 Å²	62.6	3%	0.025	33%	0.334	C	S	.	.	H	α-helix	trans	-61	-40.1	177.1	0	0	0	0	0	112.4	F277 R285 Q287 V291 L292 F293 V328	F277-A289 HydrophobicContact CE2-CB 4.37Å; F277-A289 HydrophobicContact CZ-CB 3.95Å; R285-A289 WeakPolarHBondContact O-CB 3.34Å; R285-A289 PolarHBondContact O-N 3.31Å; Q287-A289 VanDerWaalsContact C-N 3.33Å; Q287-A289 PolarHBondContact O-N 3.23Å; A289-V291 VanDerWaalsContact C-N 3.29Å; A289-V291 PolarHBondContact O-N 3.09Å; A289-L292 PolarHBondContact O-N 3.36Å; A289-L292 VanDerWaalsContact O-N 3.16Å; A289-F293 HydrophobicContact CB-CD2 4.42Å; A289-F293 HydrophobicContact CB-CE2 4.08Å; A289-F293 WeakPolarHBondContact O-CD2 3.5Å; A289-F293 PolarHBondContact O-N 3.14Å; A289-V328 HydrophobicContact CB-CB 4.47Å; A289-V328 HydrophobicContact CB-CG1 3.76Å; A289-V328 HydrophobicContact CB-CG2 4.32Å
290	T	95	Very high	94.2	Very high	100 Å²	100	57.4 Å²	57.4	61%	0.613	31%	0.311	S	S	*	.	H	α-helix	trans	-61.4	-39.2	176.9	-55.7	0	0	0	0	111.1	M286 Q287 I288 A294	M286-T290 WeakPolarHBondContact O-CB 3.34Å; M286-T290 PolarHBondContact O-N 3.47Å; M286-T290 PolarHBondContact O-OG1 3.12Å; Q287-T290 WeakPolarHBondContact O-CB 3.45Å; Q287-T290 PolarHBondContact O-N 3.26Å; Q287-T290 VanDerWaalsContact O-N 3.1Å; I288-T290 VanDerWaalsContact C-N 3.31Å; I288-T290 PolarHBondContact O-N 3.35Å; T290-A294 PolarHBondContact O-N 2.84Å
291	V	94.9	Very high	94.3	Very high	26 Å²	26	56.8 Å²	56.8	16%	0.158	31%	0.306	C	S	.	.	H	α-helix	trans	-67.6	-41.9	173.5	175.1	0	0	0	0	111.7	F251 E252 Q287 I288 A289 A294 V297	F251-V291 HydrophobicContact CD1-CB 4.23Å; F251-V291 HydrophobicContact CD1-CG1 3.89Å; F251-V291 HydrophobicContact CE1-CB 4.49Å; F251-V291 HydrophobicContact CE1-CG1 4.19Å; E252-V291 HydrophobicContact CG-CG1 4.17Å; E252-V291 HydrophobicContact CG-CG2 4.07Å; E252-V291 WeakPolarHBondContact OE1-CG2 3.17Å; Q287-V291 PolarHBondContact O-N 2.91Å; I288-V291 PolarHBondContact O-N 3.39Å; A289-V291 VanDerWaalsContact C-N 3.29Å; A289-V291 PolarHBondContact O-N 3.09Å; V291-A294 WeakPolarHBondContact O-CB 3.26Å; V291-A294 PolarHBondContact O-N 2.73Å; V291-V297 HydrophobicContact CG1-CG2 3.92Å; V291-V297 WeakPolarHBondContact O-CG2 3.18Å
292	L	95.4	Very high	94.3	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-64.4	-39.6	178.7	-73	168.9	0	0	0	113.4	F251 M273 F277 I288 A289 A294 V297 R298 L321 M325	F251-L292 HydrophobicContact CE1-CD2 4Å; F251-L292 HydrophobicContact CE1-CG 3.96Å; F251-L292 HydrophobicContact CZ-CD1 4.26Å; F251-L292 HydrophobicContact CZ-CD2 3.97Å; F251-L292 HydrophobicContact CZ-CG 4.05Å; M273-L292 HydrophobicContact CE-CD2 3.78Å; F277-L292 HydrophobicContact CD1-CD1 3.62Å; F277-L292 HydrophobicContact CE1-CD1 3.45Å; F277-L292 VanDerWaalsContact CE1-CD1 3.45Å; F277-L292 HydrophobicContact CZ-CD1 4.29Å; I288-L292 HydrophobicContact CG2-CD1 3.86Å; I288-L292 HydrophobicContact CG2-CG 4.41Å; I288-L292 WeakPolarHBondContact O-CG 3.37Å; I288-L292 PolarHBondContact O-N 3.14Å; A289-L292 PolarHBondContact O-N 3.36Å; A289-L292 VanDerWaalsContact O-N 3.16Å; L292-A294 VanDerWaalsContact C-N 3.3Å; L292-V297 HydrophobicContact CD2-CG1 4.16Å; L292-R298 WeakPolarHBondContact O-CG 3.49Å; L292-L321 HydrophobicContact CD1-CD1 3.81Å; L292-L321 HydrophobicContact CD2-CD1 3.94Å; L292-M325 HydrophobicContact CB-CE 4.17Å; L292-M325 HydrophobicContact CB-CG 4.35Å; L292-M325 HydrophobicContact CB-SD 4.16Å; L292-M325 HydrophobicContact CD1-CG 3.79Å; L292-M325 HydrophobicContact CD1-SD 4.27Å
293	F	94.7	Very high	94.4	Very high	29 Å²	29	50.1 Å²	50.1	13%	0.127	27%	0.271	C	S	.	.	H	α-helix	trans	-73.8	-20.8	176	-66.3	-56.7	0	0	0	113	A289 R298 M325 V328 Y329 P473	A289-F293 HydrophobicContact CB-CD2 4.42Å; A289-F293 HydrophobicContact CB-CE2 4.08Å; A289-F293 WeakPolarHBondContact O-CD2 3.5Å; A289-F293 PolarHBondContact O-N 3.14Å; F293-R298 WeakPolarHBondContact O-CD 3.29Å; F293-R298 PolarHBondContact O-NH1 3.23Å; F293-M325 HydrophobicContact CD1-CE 3.61Å; F293-M325 HydrophobicContact CE1-CB 4.46Å; F293-M325 HydrophobicContact CE1-CE 3.39Å; F293-M325 HydrophobicContact CG-CE 4.5Å; F293-M325 HydrophobicContact CZ-CB 4.23Å; F293-M325 HydrophobicContact CZ-CE 4.14Å; F293-V328 HydrophobicContact CE2-CG2 4.24Å; F293-Y329 HydrophobicContact CZ-CE2 4.12Å; F293-P473 HydrophobicContact CD1-CG 4.02Å; F293-P473 HydrophobicContact CE1-CG 3.6Å
294	A	94.5	Very high	94.3	Very high	39 Å²	39	47.7 Å²	47.7	32%	0.322	25%	0.253	S	S	.	.	S	Bend	trans	-63.7	140.7	-179.3	0	0	0	0	0	112.5	T290 V291 L292 P296 V297 R298	T290-A294 PolarHBondContact O-N 2.84Å; V291-A294 WeakPolarHBondContact O-CB 3.26Å; V291-A294 PolarHBondContact O-N 2.73Å; L292-A294 VanDerWaalsContact C-N 3.3Å; A294-P296 VanDerWaalsContact O-N 3.14Å; A294-V297 PolarHBondContact O-N 3.28Å; A294-V297 VanDerWaalsContact O-N 3.1Å; A294-R298 PolarHBondContact O-N 3.04Å
295	K	93.8	Very high	94.3	Very high	126 Å²	126	46 Å²	46	55%	0.548	24%	0.239	S	C	.	.	H	α-helix	trans	-48.3	-39.8	-175.3	-170.8	171.8	-175.3	170.2	0	116	N299	K295-N299 VanDerWaalsContact O-CB 3.24Å; K295-N299 WeakPolarHBondContact O-CB 3.39Å; K295-N299 PolarHBondContact O-N 2.97Å; K295-N299 PolarHBondContact O-ND2 3.18Å
296	P	92.3	Very high	94.1	Very high	86 Å²	86	41.8 Å²	41.8	56%	0.558	22%	0.224	S	C	*	.	H	α-helix	trans	-61.9	-44.3	178.7	-23.4	35.2	0	0	0	112.9	A294 N299 A300	A294-P296 VanDerWaalsContact O-N 3.14Å; P296-N299 PolarHBondContact O-N 3.02Å; P296-A300 PolarHBondContact O-N 3.11Å
297	V	93.6	Very high	93.7	Very high	5 Å²	5	47.1 Å²	47.1	3%	0.03	24%	0.24	C	C	.	.	H	α-helix	trans	-72.4	-42.6	-177.3	-170	0	0	0	0	110.8	V255 L258 V291 L292 A294 N299 A300 L301	V255-V297 HydrophobicContact CB-CG2 4.48Å; V255-V297 HydrophobicContact CG1-CG2 3.96Å; V255-V297 HydrophobicContact CG2-CG1 4.48Å; V255-V297 HydrophobicContact CG2-CG2 3.61Å; L258-V297 HydrophobicContact CD1-CG1 4.01Å; V291-V297 HydrophobicContact CG1-CG2 3.92Å; V291-V297 WeakPolarHBondContact O-CG2 3.18Å; L292-V297 HydrophobicContact CD2-CG1 4.16Å; A294-V297 PolarHBondContact O-N 3.28Å; A294-V297 VanDerWaalsContact O-N 3.1Å; V297-N299 VanDerWaalsContact C-N 3.33Å; V297-N299 PolarHBondContact O-N 2.78Å; V297-A300 PolarHBondContact O-N 2.97Å; V297-L301 HydrophobicContact CG1-CD1 4.33Å; V297-L301 WeakPolarHBondContact O-CG 3.49Å; V297-L301 PolarHBondContact O-N 2.74Å
298	R	94.6	Very high	93.1	Very high	17 Å²	17	45.1 Å²	45.1	6%	0.064	23%	0.234	C	C	.	.	H	α-helix	trans	-59.8	-43.1	172.7	-59.2	-155.6	-27	-85	8.4	112	L292 F293 A294 A300 L301 I302 F468 T469 E470 E471	L292-R298 WeakPolarHBondContact O-CG 3.49Å; F293-R298 WeakPolarHBondContact O-CD 3.29Å; F293-R298 PolarHBondContact O-NH1 3.23Å; A294-R298 PolarHBondContact O-N 3.04Å; R298-A300 VanDerWaalsContact C-N 3.32Å; R298-A300 PolarHBondContact O-N 2.89Å; R298-L301 PolarHBondContact O-N 3.45Å; R298-I302 WeakPolarHBondContact O-CB 3.45Å; R298-I302 VanDerWaalsContact O-CG1 3.22Å; R298-I302 WeakPolarHBondContact O-CG1 3.36Å; R298-I302 PolarHBondContact O-N 3.19Å; R298-F468 WeakPolarHBondContact CD-O 3.27Å; R298-F468 PolarHBondContact NE-O 3.33Å; R298-T469 PolarHBondContact NE-O 3.21Å; R298-T469 PolarHBondContact NH2-O 2.96Å; R298-E470 WeakPolarHBondContact CD-O 3.32Å; R298-E470 PolarHBondContact NE-O 3.25Å; R298-E470 VanDerWaalsContact NE-O 3.11Å; R298-E471 IonicContact NH1-OE1 2.62Å
299	N	93.6	Very high	92.4	Very high	69 Å²	69	52 Å²	52	37%	0.369	27%	0.271	S	S	.	.	H	α-helix	trans	-60.2	-41.4	175.1	-79	-9.5	0	0	0	111.9	K295 P296 V297 N303	K295-N299 VanDerWaalsContact O-CB 3.24Å; K295-N299 WeakPolarHBondContact O-CB 3.39Å; K295-N299 PolarHBondContact O-N 2.97Å; K295-N299 PolarHBondContact O-ND2 3.18Å; P296-N299 PolarHBondContact O-N 3.02Å; V297-N299 VanDerWaalsContact C-N 3.33Å; V297-N299 PolarHBondContact O-N 2.78Å; N299-N303 WeakPolarHBondContact O-CB 3.43Å; N299-N303 VanDerWaalsContact O-CG 3.29Å; N299-N303 PolarHBondContact O-N 3.39Å; N299-N303 PolarHBondContact O-ND2 3.36Å
300	A	93.9	Very high	92	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-64.2	-46.8	176.9	0	0	0	0	0	111.7	L258 E259 P296 V297 R298 N304	L258-A300 HydrophobicContact CB-CB 3.97Å; L258-A300 HydrophobicContact CD1-CB 4.29Å; E259-A300 HydrophobicContact CG-CB 4.02Å; P296-A300 PolarHBondContact O-N 3.11Å; V297-A300 PolarHBondContact O-N 2.97Å; R298-A300 VanDerWaalsContact C-N 3.32Å; R298-A300 PolarHBondContact O-N 2.89Å; A300-N304 WeakPolarHBondContact O-CB 3.39Å; A300-N304 PolarHBondContact O-N 2.73Å; A300-N304 PolarHBondContact O-ND2 3.35Å
301	L	94.8	Very high	91.5	Very high	1 Å²	1	49.8 Å²	49.8	1%	0.005	26%	0.263	C	S	.	.	I	π-helix	trans	-59.2	-50.4	175.9	-69.7	168.9	0	0	0	112	L258 L270 V297 R298 I305 L306 L321 F468	L258-L301 HydrophobicContact CD1-CD2 4.25Å; L258-L301 HydrophobicContact CD1-CG 4.37Å; L258-L301 HydrophobicContact CD2-CD2 4.14Å; L270-L301 HydrophobicContact CD2-CD2 3.92Å; V297-L301 HydrophobicContact CG1-CD1 4.33Å; V297-L301 WeakPolarHBondContact O-CG 3.49Å; V297-L301 PolarHBondContact O-N 2.74Å; R298-L301 PolarHBondContact O-N 3.45Å; L301-I305 HydrophobicContact CD2-CD1 3.95Å; L301-I305 WeakPolarHBondContact O-CB 2.86Å; L301-I305 PolarHBondContact O-N 2.73Å; L301-I305 VanDerWaalsContact O-N 3.14Å; L301-L306 PolarHBondContact O-N 3.49Å; L301-L321 HydrophobicContact CD1-CD2 4.2Å; L301-L321 HydrophobicContact CD2-CD2 4.19Å; L301-F468 HydrophobicContact CD1-CD1 3.92Å; L301-F468 HydrophobicContact CD1-CE1 4.32Å
302	I	93.2	Very high	91.2	Very high	36 Å²	36	52.8 Å²	52.8	19%	0.185	28%	0.283	C	S	.	.	I	π-helix	trans	-63.6	-52.7	-179.1	-66.4	165.3	0	0	0	110.7	R298 L306 R307	R298-I302 WeakPolarHBondContact O-CB 3.45Å; R298-I302 VanDerWaalsContact O-CG1 3.22Å; R298-I302 WeakPolarHBondContact O-CG1 3.36Å; R298-I302 PolarHBondContact O-N 3.19Å; I302-L306 HydrophobicContact CG1-CD1 4.29Å; I302-R307 WeakPolarHBondContact O-CG 3.38Å; I302-R307 PolarHBondContact O-N 3.38Å; I302-R307 VanDerWaalsContact O-N 3.14Å
303	N	92.9	Very high	90.8	Very high	61 Å²	61	54.3 Å²	54.3	33%	0.326	30%	0.299	S	S	.	.	I	π-helix	trans	-76.2	-33.9	-168.3	-66.7	-49.7	0	0	0	113.3	N299 R307	N299-N303 WeakPolarHBondContact O-CB 3.43Å; N299-N303 VanDerWaalsContact O-CG 3.29Å; N299-N303 PolarHBondContact O-N 3.39Å; N299-N303 PolarHBondContact O-ND2 3.36Å; N303-R307 PolarHBondContact OD1-NH1 3.48Å; N303-R307 PolarHBondContact OD1-NH2 3.45Å
304	N	92.9	Very high	90.7	Very high	45 Å²	45	53.7 Å²	53.7	24%	0.241	30%	0.297	C	S	.	.	I	π-helix	trans	-107.6	-20.2	-170.6	-54.2	-54.1	0	0	0	114.1	L258 Q266 A300 N308	L258-N304 VanDerWaalsContact O-CB 3.24Å; L258-N304 WeakPolarHBondContact O-CB 3.4Å; Q266-N304 PolarHBondContact NE2-O 2.76Å; A300-N304 WeakPolarHBondContact O-CB 3.39Å; A300-N304 PolarHBondContact O-N 2.73Å; A300-N304 PolarHBondContact O-ND2 3.35Å; N304-N308 PolarHBondContact O-ND2 3.3Å
305	I	92.7	Very high	90.7	Very high	2 Å²	2	52.2 Å²	52.2	1%	0.01	29%	0.285	C	S	.	.	I	π-helix	trans	-114.7	-61.2	-179.5	-65.8	154	0	0	0	110.7	L258 Q266 L270 L301 R307 N308 L318	L258-I305 HydrophobicContact CB-CD1 4.28Å; L258-I305 HydrophobicContact CD2-CD1 3.69Å; Q266-I305 HydrophobicContact CG-CG1 4.37Å; L270-I305 HydrophobicContact CD1-CD1 4.15Å; L270-I305 HydrophobicContact CG-CD1 4.47Å; L301-I305 HydrophobicContact CD2-CD1 3.95Å; L301-I305 WeakPolarHBondContact O-CB 2.86Å; L301-I305 PolarHBondContact O-N 2.73Å; L301-I305 VanDerWaalsContact O-N 3.14Å; I305-R307 VanDerWaalsContact C-N 3.35Å; I305-R307 PolarHBondContact O-N 2.92Å; I305-N308 PolarHBondContact O-N 3.38Å; I305-L318 HydrophobicContact CG2-CD1 4.02Å; I305-L318 HydrophobicContact CG2-CD2 4.27Å; I305-L318 HydrophobicContact CG2-CG 4.49Å
306	L	91.4	Very high	90.7	Very high	16 Å²	16	48.4 Å²	48.4	8%	0.084	27%	0.269	C	S	.	.	I	π-helix	trans	-68	-28.7	-172.1	-60.6	179.4	0	0	0	114.1	L301 I302 N308 L318 Y463 E465 F468	L301-L306 PolarHBondContact O-N 3.49Å; I302-L306 HydrophobicContact CG1-CD1 4.29Å; L306-N308 VanDerWaalsContact C-N 3.27Å; L306-N308 PolarHBondContact O-N 3.48Å; L306-L318 HydrophobicContact CD2-CD1 3.64Å; L306-L318 HydrophobicContact CD2-CD2 4.13Å; L306-Y463 HydrophobicContact CD2-CD2 4.44Å; L306-Y463 HydrophobicContact CD2-CE2 3.77Å; L306-E465 HydrophobicContact CD1-CG 4.45Å; L306-E465 HydrophobicContact CD2-CG 4.4Å; L306-F468 HydrophobicContact CD1-CB 3.95Å; L306-F468 HydrophobicContact CD1-CD2 4.04Å; L306-F468 HydrophobicContact CD1-CG 4.12Å
307	R	86.4	Confident	90.9	Very high	180 Å²	180	45.3 Å²	45.3	68%	0.679	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-17.1	173.3	-79.4	-178	-173.9	176.6	2.7	114.3	I302 N303 I305	I302-R307 WeakPolarHBondContact O-CG 3.38Å; I302-R307 PolarHBondContact O-N 3.38Å; I302-R307 VanDerWaalsContact O-N 3.14Å; N303-R307 PolarHBondContact OD1-NH1 3.48Å; N303-R307 PolarHBondContact OD1-NH2 3.45Å; I305-R307 VanDerWaalsContact C-N 3.35Å; I305-R307 PolarHBondContact O-N 2.92Å
308	N	83.3	Confident	91	Very high	90 Å²	90	45 Å²	45	48%	0.481	25%	0.245	S	C	.	.	S	Bend	trans	-94.3	170.3	-178.1	-73.7	-41.1	0	0	0	111.3	N304 I305 L306 V310	N304-N308 PolarHBondContact O-ND2 3.3Å; I305-N308 PolarHBondContact O-N 3.38Å; L306-N308 VanDerWaalsContact C-N 3.27Å; L306-N308 PolarHBondContact O-N 3.48Å; N308-V310 PolarHBondContact O-N 3.41Å
309	N	80.3	Confident	91.1	Very high	160 Å²	160	45.3 Å²	45.3	86%	0.856	25%	0.247	S	C	*	.			trans	-74.3	99.7	177.4	-170.7	10.8	0	0	0	110.4	G311	N309-G311 PolarHBondContact O-N 2.97Å; N309-G311 VanDerWaalsContact O-N 3.16Å
310	V	87	Confident	91.2	Very high	27 Å²	27	43 Å²	43	16%	0.164	24%	0.235	C	C	.	.			trans	-73.7	103.9	-175.6	-176.4	0	0	0	0	110.8	N308 L314 A315 L318 Y463	N308-V310 PolarHBondContact O-N 3.41Å; V310-L314 HydrophobicContact CG1-CB 3.74Å; V310-A315 HydrophobicContact CG1-CB 3.89Å; V310-L318 HydrophobicContact CG1-CD1 3.84Å; V310-L318 HydrophobicContact CG2-CD1 4.37Å; V310-Y463 HydrophobicContact CG1-CE1 4.35Å
311	G	85.7	Confident	91.4	Very high	31 Å²	31	43 Å²	43	32%	0.32	24%	0.236	S	C	.	.			trans	-67.9	163.1	172.4	0	0	0	0	0	113.2	N309 G313 L314 A315	N309-G311 PolarHBondContact O-N 2.97Å; N309-G311 VanDerWaalsContact O-N 3.16Å; G311-G313 VanDerWaalsContact C-N 3.27Å; G311-G313 PolarHBondContact O-N 3.45Å; G311-G313 VanDerWaalsContact O-N 3.12Å; G311-L314 PolarHBondContact O-N 3.33Å; G311-A315 PolarHBondContact O-N 3.13Å
312	P	88.2	Confident	91.5	Very high	88 Å²	88	43.4 Å²	43.4	57%	0.571	24%	0.238	S	C	*	.	H	α-helix	trans	-59.7	-31.3	-170	22.4	-34.1	0	0	0	114.4	H316	P312-H316 WeakPolarHBondContact O-CB 3.18Å; P312-H316 PolarHBondContact O-N 3.07Å
313	G	87.6	Confident	91.6	Very high	33 Å²	33	42.2 Å²	42.2	34%	0.34	23%	0.231	S	C	.	.	H	α-helix	trans	-66	-47.3	174.1	0	0	0	0	0	112.7	G311 H316 Q317	G311-G313 VanDerWaalsContact C-N 3.27Å; G311-G313 PolarHBondContact O-N 3.45Å; G311-G313 VanDerWaalsContact O-N 3.12Å; G313-H316 PolarHBondContact O-N 3.06Å; G313-Q317 WeakPolarHBondContact O-CG 3.37Å; G313-Q317 PolarHBondContact O-N 2.96Å; G313-Q317 VanDerWaalsContact O-N 3.08Å
314	L	92.9	Very high	91.8	Very high	15 Å²	15	40.1 Å²	40.1	8%	0.079	22%	0.22	C	C	.	.	H	α-helix	trans	-67	-38.7	175.4	-73.5	170.5	0	0	0	111.7	L263 Q266 H267 L270 V310 G311 H316 Q317 L318	L263-L314 HydrophobicContact CD2-CD1 4.13Å; Q266-L314 HydrophobicContact CB-CD2 4.23Å; H267-L314 HydrophobicContact CB-CD2 3.93Å; L270-L314 HydrophobicContact CD1-CD2 3.9Å; V310-L314 HydrophobicContact CG1-CB 3.74Å; G311-L314 PolarHBondContact O-N 3.33Å; L314-H316 VanDerWaalsContact C-N 3.26Å; L314-H316 PolarHBondContact O-N 3.3Å; L314-Q317 PolarHBondContact O-N 3.31Å; L314-Q317 VanDerWaalsContact O-N 3.15Å; L314-L318 WeakPolarHBondContact O-CG 3.49Å; L314-L318 PolarHBondContact O-N 2.81Å
315	A	93.6	Very high	92	Very high	9 Å²	9	38.3 Å²	38.3	7%	0.074	21%	0.21	C	C	.	.	H	α-helix	trans	-60.1	-38	175.3	0	0	0	0	0	111.9	V310 G311 H319 Q461 Y463	V310-A315 HydrophobicContact CG1-CB 3.89Å; G311-A315 PolarHBondContact O-N 3.13Å; A315-H319 WeakPolarHBondContact O-CB 3.21Å; A315-H319 PolarHBondContact O-N 3.09Å; A315-Q461 HydrophobicContact CB-CB 4.12Å; A315-Q461 HydrophobicContact CB-CG 4.45Å; A315-Y463 HydrophobicContact CB-CD1 4.48Å; A315-Y463 HydrophobicContact CB-CE1 3.95Å
316	H	94.6	Very high	92.1	Very high	45 Å²	45	38.5 Å²	38.5	21%	0.208	21%	0.211	C	C	.	.	H	α-helix	trans	-65.3	-46.5	172.1	176.4	59.7	0	0	0	112.4	P312 G313 L314 L318 H319 V320 S457 E458 G460 Q461	P312-H316 WeakPolarHBondContact O-CB 3.18Å; P312-H316 PolarHBondContact O-N 3.07Å; G313-H316 PolarHBondContact O-N 3.06Å; L314-H316 VanDerWaalsContact C-N 3.26Å; L314-H316 PolarHBondContact O-N 3.3Å; H316-L318 VanDerWaalsContact C-N 3.28Å; H316-L318 PolarHBondContact O-N 3.12Å; H316-H319 WeakPolarHBondContact O-CB 3.05Å; H316-H319 PolarHBondContact O-N 3.12Å; H316-V320 WeakPolarHBondContact O-CG2 3.07Å; H316-V320 PolarHBondContact O-N 3.24Å; H316-S457 PolarHBondContact CE1-O 3.49Å; H316-S457 VanDerWaalsContact CE1-O 3.27Å; H316-E458 PolarHBondContact CE1-O 3.46Å; H316-G460 WeakPolarHBondContact CA-O 3.42Å; H316-G460 PolarHBondContact ND1-O 3.31Å; H316-Q461 HydrophobicContact CB-CG 4.36Å
317	Q	96.1	Very high	92.3	Very high	21 Å²	21	39.1 Å²	39.1	10%	0.098	21%	0.214	C	C	.	.	H	α-helix	trans	-62.4	-35.2	177.4	-62.5	-56.8	-20.5	0	0	112.9	L270 N274 G313 L314 L321	L270-Q317 HydrophobicContact CB-CB 3.77Å; L270-Q317 HydrophobicContact CB-CG 4.25Å; L270-Q317 HydrophobicContact CD1-CB 4.1Å; N274-Q317 PolarHBondContact ND2-O 2.79Å; N274-Q317 PolarHBondContact ND2-OE1 3.4Å; G313-Q317 WeakPolarHBondContact O-CG 3.37Å; G313-Q317 PolarHBondContact O-N 2.96Å; G313-Q317 VanDerWaalsContact O-N 3.08Å; L314-Q317 PolarHBondContact O-N 3.31Å; L314-Q317 VanDerWaalsContact O-N 3.15Å; Q317-L321 VanDerWaalsContact O-CB 3.31Å; Q317-L321 WeakPolarHBondContact O-CB 3Å; Q317-L321 PolarHBondContact O-N 2.71Å
318	L	96.2	Very high	92.8	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-69.4	-39.9	174	-71.1	168.3	0	0	0	112.6	L270 I305 L306 V310 L314 H316 L321 Q322 Y463 F468	L270-L318 HydrophobicContact CD1-CD2 4.49Å; I305-L318 HydrophobicContact CG2-CD1 4.02Å; I305-L318 HydrophobicContact CG2-CD2 4.27Å; I305-L318 HydrophobicContact CG2-CG 4.49Å; L306-L318 HydrophobicContact CD2-CD1 3.64Å; L306-L318 HydrophobicContact CD2-CD2 4.13Å; V310-L318 HydrophobicContact CG1-CD1 3.84Å; V310-L318 HydrophobicContact CG2-CD1 4.37Å; L314-L318 WeakPolarHBondContact O-CG 3.49Å; L314-L318 PolarHBondContact O-N 2.81Å; H316-L318 VanDerWaalsContact C-N 3.28Å; H316-L318 PolarHBondContact O-N 3.12Å; L318-L321 PolarHBondContact O-N 2.97Å; L318-Q322 WeakPolarHBondContact O-CB 3.36Å; L318-Q322 PolarHBondContact O-N 3.21Å; L318-Y463 HydrophobicContact CB-CD1 3.87Å; L318-Y463 HydrophobicContact CB-CD2 4.41Å; L318-Y463 HydrophobicContact CB-CE1 4.28Å; L318-Y463 HydrophobicContact CB-CG 3.96Å; L318-Y463 HydrophobicContact CD1-CD1 4.36Å; L318-Y463 HydrophobicContact CD1-CD2 4.48Å; L318-Y463 HydrophobicContact CD1-CE1 3.95Å; L318-Y463 HydrophobicContact CD1-CE2 4.09Å; L318-F468 HydrophobicContact CD2-CZ 4.44Å
319	H	95.4	Very high	93.4	Very high	22 Å²	22	28 Å²	28	10%	0.102	17%	0.168	C	C	.	.	H	α-helix	trans	-58.9	-47.4	172	168.8	74.6	0	0	0	111.3	A315 H316 Q322 Q323 S457 G460 V462	A315-H319 WeakPolarHBondContact O-CB 3.21Å; A315-H319 PolarHBondContact O-N 3.09Å; H316-H319 WeakPolarHBondContact O-CB 3.05Å; H316-H319 PolarHBondContact O-N 3.12Å; H319-Q322 PolarHBondContact O-N 3.14Å; H319-Q323 PolarHBondContact O-N 3.34Å; H319-S457 PolarHBondContact NE2-N 3.26Å; H319-G460 WeakPolarHBondContact CB-O 3.33Å; H319-G460 PolarHBondContact CD2-O 2.97Å; H319-V462 PolarHBondContact ND1-O 3.38Å
320	V	96.9	Very high	94.1	Very high	20 Å²	20	22.8 Å²	22.8	12%	0.121	14%	0.138	C	C	.	.	H	α-helix	trans	-62.7	-46	177.4	175.3	0	0	0	0	111.1	N274 H316 Q323 L324 P456	N274-V320 HydrophobicContact CB-CG1 3.88Å; H316-V320 WeakPolarHBondContact O-CG2 3.07Å; H316-V320 PolarHBondContact O-N 3.24Å; V320-Q323 PolarHBondContact O-N 2.87Å; V320-L324 HydrophobicContact CG1-CD1 3.93Å; V320-L324 HydrophobicContact CG1-CG 4.44Å; V320-L324 VanDerWaalsContact O-CG 3.3Å; V320-L324 WeakPolarHBondContact O-CG 3.37Å; V320-L324 PolarHBondContact O-N 3.04Å; V320-P456 HydrophobicContact CB-CB 4.24Å; V320-P456 HydrophobicContact CG1-CB 4.05Å; V320-P456 HydrophobicContact CG1-CG 4.12Å; V320-P456 HydrophobicContact CG2-CB 3.95Å
321	L	97.2	Very high	94.5	Very high	1 Å²	1	23.9 Å²	23.9	1%	0.005	15%	0.145	C	C	.	.	H	α-helix	trans	-60.4	-48.1	178.8	-178.6	60.8	0	0	0	111.6	L270 N274 L292 L301 Q317 L318 Q323 L324 M325 F468	L270-L321 HydrophobicContact CD2-CD2 4.02Å; N274-L321 WeakPolarHBondContact OD1-CA 3.31Å; N274-L321 WeakPolarHBondContact OD1-CB 3.44Å; N274-L321 PolarHBondContact OD1-N 3.28Å; L292-L321 HydrophobicContact CD1-CD1 3.81Å; L292-L321 HydrophobicContact CD2-CD1 3.94Å; L301-L321 HydrophobicContact CD1-CD2 4.2Å; L301-L321 HydrophobicContact CD2-CD2 4.19Å; Q317-L321 VanDerWaalsContact O-CB 3.31Å; Q317-L321 WeakPolarHBondContact O-CB 3Å; Q317-L321 PolarHBondContact O-N 2.71Å; L318-L321 PolarHBondContact O-N 2.97Å; L321-Q323 PolarHBondContact O-N 2.72Å; L321-L324 PolarHBondContact O-N 3.27Å; L321-M325 HydrophobicContact CD1-CG 4.31Å; L321-M325 HydrophobicContact CD1-SD 4.17Å; L321-M325 HydrophobicContact CD2-SD 4.46Å; L321-M325 HydrophobicContact CG-CG 4.48Å; L321-M325 HydrophobicContact CG-SD 3.89Å; L321-M325 WeakPolarHBondContact O-CB 3.46Å; L321-M325 VanDerWaalsContact O-CG 3.3Å; L321-M325 WeakPolarHBondContact O-CG 2.95Å; L321-M325 PolarHBondContact O-N 2.72Å; L321-F468 HydrophobicContact CD2-CE1 4.09Å; L321-F468 HydrophobicContact CG-CE1 4.36Å
322	Q	96.4	Very high	95	Very high	10 Å²	10	26.5 Å²	26.5	5%	0.047	15%	0.148	C	C	.	.	H	α-helix	trans	-55.6	-50.5	176.1	177.2	-173.1	-66.7	0	0	111.1	L318 H319 L324 M325 L326 L467 F468	L318-Q322 WeakPolarHBondContact O-CB 3.36Å; L318-Q322 PolarHBondContact O-N 3.21Å; H319-Q322 PolarHBondContact O-N 3.14Å; Q322-L324 VanDerWaalsContact C-N 3.31Å; Q322-L324 PolarHBondContact O-N 3.12Å; Q322-M325 PolarHBondContact O-N 3.32Å; Q322-L326 HydrophobicContact CG-CD1 3.79Å; Q322-L326 HydrophobicContact CG-CG 4.26Å; Q322-L326 WeakPolarHBondContact O-CB 3.39Å; Q322-L326 WeakPolarHBondContact O-CG 3.15Å; Q322-L326 PolarHBondContact O-N 3.38Å; Q322-L467 HydrophobicContact CG-CD1 3.78Å; Q322-F468 HydrophobicContact CB-CZ 4.05Å
323	Q	96.3	Very high	95.3	Very high	11 Å²	11	22.5 Å²	22.5	5%	0.051	12%	0.121	C	C	.	.	H	α-helix	trans	-63.5	-39.2	-176.6	-170.1	64.2	49.1	0	0	111.5	H319 V320 L321 L326 N327 H451 P456	H319-Q323 PolarHBondContact O-N 3.34Å; V320-Q323 PolarHBondContact O-N 2.87Å; L321-Q323 PolarHBondContact O-N 2.72Å; Q323-L326 PolarHBondContact O-N 3.08Å; Q323-N327 PolarHBondContact NE2-OD1 3.3Å; Q323-N327 WeakPolarHBondContact O-CB 3.32Å; Q323-N327 PolarHBondContact O-N 3.24Å; Q323-N327 PolarHBondContact O-ND2 2.91Å; Q323-N327 PolarHBondContact O-OD1 3.37Å; Q323-H451 PolarHBondContact NE2-O 2.92Å; Q323-P456 HydrophobicContact CB-CB 4.24Å; Q323-P456 HydrophobicContact CB-CG 4.02Å; Q323-P456 HydrophobicContact CG-CB 4.36Å; Q323-P456 HydrophobicContact CG-CG 4.04Å
324	L	96.6	Very high	95.7	Very high	17 Å²	17	28 Å²	28	9%	0.089	13%	0.132	C	C	.	.	H	α-helix	trans	-66	-41	174.2	-65.8	172	0	0	0	112.1	N274 F277 V320 L321 Q322 N327 P456	N274-L324 HydrophobicContact CB-CD1 4.31Å; F277-L324 HydrophobicContact CB-CD1 4.23Å; F277-L324 HydrophobicContact CD1-CB 3.5Å; F277-L324 HydrophobicContact CD1-CD1 4.15Å; F277-L324 HydrophobicContact CD1-CG 4.43Å; F277-L324 VanDerWaalsContact CE1-C 3.48Å; F277-L324 HydrophobicContact CE1-CB 3.54Å; F277-L324 HydrophobicContact CG-CB 4.17Å; F277-L324 HydrophobicContact CG-CD1 4.37Å; F277-L324 HydrophobicContact CZ-CB 4.23Å; F277-L324 WeakPolarHBondContact CZ-O 3Å; V320-L324 HydrophobicContact CG1-CD1 3.93Å; V320-L324 HydrophobicContact CG1-CG 4.44Å; V320-L324 VanDerWaalsContact O-CG 3.3Å; V320-L324 WeakPolarHBondContact O-CG 3.37Å; V320-L324 PolarHBondContact O-N 3.04Å; L321-L324 PolarHBondContact O-N 3.27Å; Q322-L324 VanDerWaalsContact C-N 3.31Å; Q322-L324 PolarHBondContact O-N 3.12Å; L324-N327 PolarHBondContact O-N 2.84Å; L324-P456 HydrophobicContact CD2-CG 4.09Å; L324-P456 HydrophobicContact CG-CG 4.13Å
325	M	96.4	Very high	95.8	Very high	7 Å²	7	29.6 Å²	29.6	3%	0.034	14%	0.144	C	C	.	.	H	α-helix	trans	-63.3	-39	174.4	-73.3	174.5	65.7	0	0	112.1	F277 L292 F293 L321 Q322 V328 F468	F277-M325 HydrophobicContact CE1-CG 4Å; L292-M325 HydrophobicContact CB-CE 4.17Å; L292-M325 HydrophobicContact CB-CG 4.35Å; L292-M325 HydrophobicContact CB-SD 4.16Å; L292-M325 HydrophobicContact CD1-CG 3.79Å; L292-M325 HydrophobicContact CD1-SD 4.27Å; F293-M325 HydrophobicContact CD1-CE 3.61Å; F293-M325 HydrophobicContact CE1-CB 4.46Å; F293-M325 HydrophobicContact CE1-CE 3.39Å; F293-M325 HydrophobicContact CG-CE 4.5Å; F293-M325 HydrophobicContact CZ-CB 4.23Å; F293-M325 HydrophobicContact CZ-CE 4.14Å; L321-M325 HydrophobicContact CD1-CG 4.31Å; L321-M325 HydrophobicContact CD1-SD 4.17Å; L321-M325 HydrophobicContact CD2-SD 4.46Å; L321-M325 HydrophobicContact CG-CG 4.48Å; L321-M325 HydrophobicContact CG-SD 3.89Å; L321-M325 WeakPolarHBondContact O-CB 3.46Å; L321-M325 VanDerWaalsContact O-CG 3.3Å; L321-M325 WeakPolarHBondContact O-CG 2.95Å; L321-M325 PolarHBondContact O-N 2.72Å; Q322-M325 PolarHBondContact O-N 3.32Å; M325-V328 VanDerWaalsContact O-CG2 3.31Å; M325-V328 WeakPolarHBondContact O-CG2 3.49Å; M325-F468 HydrophobicContact SD-CD1 4.38Å; M325-F468 HydrophobicContact SD-CE1 3.92Å
326	L	96.1	Very high	95.8	Very high	6 Å²	6	34.7 Å²	34.7	3%	0.031	17%	0.165	C	C	.	.	H	α-helix	trans	-70.8	-39.1	177	-73.3	173.1	0	0	0	112.2	Q322 Q323 V328 Y329 L450 I452 L467	Q322-L326 HydrophobicContact CG-CD1 3.79Å; Q322-L326 HydrophobicContact CG-CG 4.26Å; Q322-L326 WeakPolarHBondContact O-CB 3.39Å; Q322-L326 WeakPolarHBondContact O-CG 3.15Å; Q322-L326 PolarHBondContact O-N 3.38Å; Q323-L326 PolarHBondContact O-N 3.08Å; L326-V328 PolarHBondContact O-N 3.42Å; L326-Y329 WeakPolarHBondContact O-CB 3.48Å; L326-Y329 WeakPolarHBondContact O-CD2 3.42Å; L326-Y329 PolarHBondContact O-N 2.64Å; L326-L450 HydrophobicContact CD1-CB 4.24Å; L326-L450 HydrophobicContact CD2-CD1 4.09Å; L326-I452 HydrophobicContact CB-CD1 4.36Å; L326-I452 HydrophobicContact CB-CG1 4.21Å; L326-I452 HydrophobicContact CD2-CD1 4.2Å; L326-I452 WeakPolarHBondContact O-CG2 3.22Å; L326-L467 HydrophobicContact CD1-CD1 4.07Å; L326-L467 HydrophobicContact CD2-CD1 4.19Å; L326-L467 HydrophobicContact CG-CD1 4.42Å
327	N	95.9	Very high	95.6	Very high	28 Å²	28	33.3 Å²	33.3	15%	0.15	16%	0.16	C	C	.	.	H	α-helix	trans	-63.6	-13.6	-177.9	-74.2	-7.4	0	0	0	114.3	Q323 L324 Y329 E330 G453 E454	Q323-N327 PolarHBondContact NE2-OD1 3.3Å; Q323-N327 WeakPolarHBondContact O-CB 3.32Å; Q323-N327 PolarHBondContact O-N 3.24Å; Q323-N327 PolarHBondContact O-ND2 2.91Å; Q323-N327 PolarHBondContact O-OD1 3.37Å; L324-N327 PolarHBondContact O-N 2.84Å; N327-Y329 VanDerWaalsContact C-N 3.27Å; N327-Y329 PolarHBondContact O-N 3.44Å; N327-E330 WeakPolarHBondContact O-CB 3.22Å; N327-E330 PolarHBondContact O-N 3.18Å; N327-G453 PolarHBondContact OD1-N 3.34Å; N327-E454 PolarHBondContact ND2-O 3.26Å
328	V	95.8	Very high	95.3	Very high	16 Å²	16	38.7 Å²	38.7	10%	0.097	19%	0.185	C	C	.	.	H	α-helix	trans	-69.5	-26.6	173.5	-47.2	0	0	0	0	112.7	F277 M286 A289 F293 M325 L326 E330 V331	F277-V328 HydrophobicContact CE2-CG1 4.07Å; F277-V328 HydrophobicContact CZ-CG1 3.73Å; M286-V328 HydrophobicContact SD-CB 4.08Å; A289-V328 HydrophobicContact CB-CB 4.47Å; A289-V328 HydrophobicContact CB-CG1 3.76Å; A289-V328 HydrophobicContact CB-CG2 4.32Å; F293-V328 HydrophobicContact CE2-CG2 4.24Å; M325-V328 VanDerWaalsContact O-CG2 3.31Å; M325-V328 WeakPolarHBondContact O-CG2 3.49Å; L326-V328 PolarHBondContact O-N 3.42Å; V328-E330 PolarHBondContact O-N 3.34Å; V328-V331 WeakPolarHBondContact O-CB 3.31Å; V328-V331 WeakPolarHBondContact O-CG2 3.41Å; V328-V331 PolarHBondContact O-N 3.41Å
329	Y	96.4	Very high	94.8	Very high	21 Å²	21	45.2 Å²	45.2	8%	0.082	22%	0.219	C	C	.	.	H	α-helix	trans	-68	-25.4	174.5	-64.8	-76.1	0	0	0	111.6	F293 L326 N327 V331 K332 A333 L401 F474	F293-Y329 HydrophobicContact CZ-CE2 4.12Å; L326-Y329 WeakPolarHBondContact O-CB 3.48Å; L326-Y329 WeakPolarHBondContact O-CD2 3.42Å; L326-Y329 PolarHBondContact O-N 2.64Å; N327-Y329 VanDerWaalsContact C-N 3.27Å; N327-Y329 PolarHBondContact O-N 3.44Å; Y329-V331 PolarHBondContact O-N 3.45Å; Y329-K332 PolarHBondContact O-N 2.95Å; Y329-A333 WeakPolarHBondContact O-CB 3.39Å; Y329-A333 PolarHBondContact O-N 3.13Å; Y329-L401 HydrophobicContact CD1-CD1 3.85Å; Y329-F474 HydrophobicContact CD1-CB 4.1Å; Y329-F474 HydrophobicContact CD1-CD1 4.17Å; Y329-F474 HydrophobicContact CD1-CG 4.18Å; Y329-F474 HydrophobicContact CD2-CB 3.99Å; Y329-F474 HydrophobicContact CD2-CG 4.27Å; Y329-F474 HydrophobicContact CE1-CB 3.62Å; Y329-F474 HydrophobicContact CE1-CD1 4.29Å; Y329-F474 HydrophobicContact CE1-CG 4.18Å; Y329-F474 HydrophobicContact CE2-CB 3.52Å; Y329-F474 HydrophobicContact CE2-CG 4.3Å; Y329-F474 HydrophobicContact CG-CB 4.26Å; Y329-F474 HydrophobicContact CG-CG 4.22Å; Y329-F474 WeakPolarHBondContact OH-CB 3.24Å
330	E	95.6	Very high	94.3	Very high	50 Å²	50	47.2 Å²	47.2	23%	0.234	25%	0.245	C	C	.	.	H	α-helix	trans	-56.1	-35.6	174.3	-168.3	-173.8	-157.1	0	0	112	N327 V328 K332 A333 R334 I452 G453	N327-E330 WeakPolarHBondContact O-CB 3.22Å; N327-E330 PolarHBondContact O-N 3.18Å; V328-E330 PolarHBondContact O-N 3.34Å; E330-K332 VanDerWaalsContact C-N 3.35Å; E330-K332 PolarHBondContact O-N 2.97Å; E330-A333 PolarHBondContact O-N 3.4Å; E330-R334 HydrophobicContact CG-CG 4.05Å; E330-R334 WeakPolarHBondContact O-CB 3.42Å; E330-R334 WeakPolarHBondContact O-CG 3.26Å; E330-R334 PolarHBondContact O-N 3.29Å; E330-R334 IonicContact OE1-CZ 2.77Å; E330-R334 IonicContact OE1-NE 2.66Å; E330-R334 PolarHBondContact OE1-NE 2.64Å; E330-R334 IonicContact OE1-NH2 3.99Å; E330-R334 PolarHBondContact OE1-NH2 3.36Å; E330-I452 HydrophobicContact CB-CG2 4.16Å; E330-G453 WeakPolarHBondContact OE1-CA 3.39Å
331	V	95.3	Very high	94	Very high	51 Å²	51	47.9 Å²	47.9	31%	0.309	25%	0.25	S	C	.	.	H	α-helix	trans	-59.9	-45.8	-178.7	-175.7	0	0	0	0	111	L282 M286 V328 Y329 S335	L282-V331 HydrophobicContact CD1-CG1 4.16Å; L282-V331 HydrophobicContact CD1-CG2 3.6Å; L282-V331 HydrophobicContact CD2-CG1 4.34Å; M286-V331 HydrophobicContact SD-CG2 4.4Å; V328-V331 WeakPolarHBondContact O-CB 3.31Å; V328-V331 WeakPolarHBondContact O-CG2 3.41Å; V328-V331 PolarHBondContact O-N 3.41Å; Y329-V331 PolarHBondContact O-N 3.45Å; V331-S335 WeakPolarHBondContact O-CB 3.26Å; V331-S335 PolarHBondContact O-N 2.95Å; V331-S335 PolarHBondContact O-OG 3.25Å
332	K	94.7	Very high	93.7	Very high	86 Å²	86	52.6 Å²	52.6	37%	0.374	28%	0.28	S	S	.	.	H	α-helix	trans	-74.7	-38.2	174.6	-71.1	-177	169.4	-166.4	0	111.5	Y329 E330 R334 S335 L401 D404	Y329-K332 PolarHBondContact O-N 2.95Å; E330-K332 VanDerWaalsContact C-N 3.35Å; E330-K332 PolarHBondContact O-N 2.97Å; K332-R334 PolarHBondContact O-N 3.01Å; K332-S335 PolarHBondContact O-N 2.79Å; K332-L401 HydrophobicContact CB-CB 3.98Å; K332-L401 HydrophobicContact CB-CD1 4.33Å; K332-L401 PolarHBondContact O-N 3.49Å; K332-D404 VanDerWaalsContact CD-OD2 3.31Å; K332-D404 WeakPolarHBondContact CD-OD2 3.23Å; K332-D404 VanDerWaalsContact CE-OD2 3.26Å; K332-D404 WeakPolarHBondContact CE-OD2 3.26Å; K332-D404 IonicContact NZ-OD2 3.43Å; K332-D404 PolarHBondContact NZ-OD2 3.47Å
333	A	96.3	Very high	93.5	Very high	3 Å²	3	53.5 Å²	53.5	3%	0.025	29%	0.287	C	S	.	.	H	α-helix	trans	-58.7	-36.2	177.2	0	0	0	0	0	112.2	Y329 E330 P397 P398 L401 L447	Y329-A333 WeakPolarHBondContact O-CB 3.39Å; Y329-A333 PolarHBondContact O-N 3.13Å; E330-A333 PolarHBondContact O-N 3.4Å; A333-P397 WeakPolarHBondContact O-CA 3.47Å; A333-P398 VanDerWaalsContact CA-O 3.3Å; A333-P398 WeakPolarHBondContact CA-O 3.46Å; A333-P398 CarbonylContact O-C 3.49Å; A333-P398 VanDerWaalsContact O-C 3.27Å; A333-L401 HydrophobicContact CB-CB 4.33Å; A333-L401 HydrophobicContact CB-CD2 3.93Å; A333-L447 HydrophobicContact CB-CD1 3.8Å; A333-L447 HydrophobicContact CB-CD2 3.88Å
334	R	95.4	Very high	93.2	Very high	150 Å²	150	53.6 Å²	53.6	57%	0.566	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.5	4.1	178	-66	-164.7	-169.5	-71.4	-6.5	114.6	E330 K332 V396	E330-R334 HydrophobicContact CG-CG 4.05Å; E330-R334 WeakPolarHBondContact O-CB 3.42Å; E330-R334 WeakPolarHBondContact O-CG 3.26Å; E330-R334 PolarHBondContact O-N 3.29Å; E330-R334 IonicContact OE1-CZ 2.77Å; E330-R334 IonicContact OE1-NE 2.66Å; E330-R334 PolarHBondContact OE1-NE 2.64Å; E330-R334 IonicContact OE1-NH2 3.99Å; E330-R334 PolarHBondContact OE1-NH2 3.36Å; K332-R334 PolarHBondContact O-N 3.01Å; R334-V396 VanDerWaalsContact C-CG1 3.5Å; R334-V396 VanDerWaalsContact CA-CG1 3.48Å; R334-V396 HydrophobicContact CB-CG1 4.43Å; R334-V396 WeakPolarHBondContact O-CG1 3.45Å
335	S	94.3	Very high	93	Very high	47 Å²	47	58.9 Å²	58.9	33%	0.329	31%	0.313	S	S	.	.	P	Polyproline II helix	trans	-103.6	134.2	179.5	-68	0	0	0	0	111.4	V331 K332 G399 Q400	V331-S335 WeakPolarHBondContact O-CB 3.26Å; V331-S335 PolarHBondContact O-N 2.95Å; V331-S335 PolarHBondContact O-OG 3.25Å; K332-S335 PolarHBondContact O-N 2.79Å; S335-G399 WeakPolarHBondContact O-CA 3.29Å; S335-Q400 PolarHBondContact O-N 3.48Å
336	K	93.5	Very high	92.9	Very high	117 Å²	117	60.9 Å²	60.9	51%	0.509	32%	0.322	S	S	.	.	P	Polyproline II helix	trans	-70.2	152.5	166.2	-72.2	-177.7	156.7	-119.8	0	110.7	Q338 D394 V396	K336-Q338 PolarHBondContact O-N 2.88Å; K336-D394 WeakPolarHBondContact CD-OD1 3.18Å; K336-D394 WeakPolarHBondContact CE-O 3.11Å; K336-D394 IonicContact NZ-OD1 3.82Å; K336-D394 PolarHBondContact NZ-OD1 3.23Å; K336-V396 HydrophobicContact CG-CG2 3.77Å
337	V	92	Very high	92.8	Very high	16 Å²	16	60.7 Å²	60.7	10%	0.097	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-65.2	127	173.7	178	0	0	0	0	110.2	V344 I390 F393 Q400 L403	V337-V344 HydrophobicContact CG1-CG2 3.43Å; V337-V344 VanDerWaalsContact CG1-CG2 3.43Å; V337-I390 HydrophobicContact CG1-CD1 4.16Å; V337-I390 HydrophobicContact CG1-CG1 4.02Å; V337-F393 HydrophobicContact CG2-CB 3.51Å; V337-F393 HydrophobicContact CG2-CG 4.35Å; V337-Q400 HydrophobicContact CG2-CB 4.49Å; V337-L403 HydrophobicContact CB-CD2 4.41Å; V337-L403 HydrophobicContact CG1-CD2 3.7Å; V337-L403 HydrophobicContact CG2-CB 4.32Å; V337-L403 HydrophobicContact CG2-CD2 3.74Å
338	Q	87.9	Confident	92.5	Very high	134 Å²	134	63.1 Å²	63.1	63%	0.626	33%	0.334	S	S	*	.	P	Polyproline II helix	trans	-90.8	119.5	177.5	-65.1	-178.3	18.4	0	0	110	K336 T341 V344	K336-Q338 PolarHBondContact O-N 2.88Å; Q338-T341 HydrophobicContact CB-CG2 3.72Å; Q338-T341 WeakPolarHBondContact O-CB 3.42Å; Q338-T341 WeakPolarHBondContact O-CG2 3.46Å; Q338-T341 PolarHBondContact O-N 3Å; Q338-T341 PolarHBondContact O-OG1 3.28Å; Q338-V344 WeakPolarHBondContact O-CG2 3.17Å
339	L	87.1	Confident	92.3	Very high	136 Å²	136	66.8 Å²	66.8	71%	0.712	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	140.9	177.2	-62.6	175.4	0	0	0	111	T341 I390	L339-T341 VanDerWaalsContact C-N 3.34Å; L339-I390 HydrophobicContact CD2-CG2 4.16Å
340	G	85.3	Confident	92.1	Very high	64 Å²	64	65.8 Å²	65.8	66%	0.66	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.4	12.9	-177	0	0	0	0	0	114.9
341	T	89.3	Confident	91.8	Very high	35 Å²	35	63.8 Å²	63.8	22%	0.215	34%	0.338	C	S	.	.	S	Bend	trans	-85.6	155.8	168.7	54.7	0	0	0	0	111.9	Q338 L339 S343 V344 E345	Q338-T341 HydrophobicContact CB-CG2 3.72Å; Q338-T341 WeakPolarHBondContact O-CB 3.42Å; Q338-T341 WeakPolarHBondContact O-CG2 3.46Å; Q338-T341 PolarHBondContact O-N 3Å; Q338-T341 PolarHBondContact O-OG1 3.28Å; L339-T341 VanDerWaalsContact C-N 3.34Å; T341-S343 PolarHBondContact O-N 2.7Å; T341-V344 WeakPolarHBondContact O-CB 3.38Å; T341-V344 PolarHBondContact O-N 2.98Å; T341-E345 PolarHBondContact O-N 3.32Å
342	P	91.3	Very high	91.4	Very high	100 Å²	100	66.8 Å²	66.8	65%	0.649	34%	0.343	S	S	*	.	H	α-helix	trans	-54.3	-35.8	175.7	-28.1	36	0	0	0	113.9	V344 E345 E346	P342-V344 VanDerWaalsContact C-N 3.25Å; P342-V344 PolarHBondContact O-N 3.08Å; P342-E345 PolarHBondContact O-N 3.46Å; P342-E345 VanDerWaalsContact O-N 3.16Å; P342-E346 WeakPolarHBondContact O-CB 3.33Å; P342-E346 PolarHBondContact O-N 3.12Å
343	S	91.3	Very high	91.1	Very high	28 Å²	28	64.5 Å²	64.5	20%	0.196	34%	0.336	C	S	.	.	H	α-helix	trans	-59.8	-34	175	-53.9	0	0	0	0	112.7	T341 F347 D404 L407	T341-S343 PolarHBondContact O-N 2.7Å; S343-F347 WeakPolarHBondContact O-CB 3.48Å; S343-F347 PolarHBondContact O-N 3.02Å; S343-D404 PolarHBondContact OG-OD1 3.27Å; S343-L407 WeakPolarHBondContact O-CD1 3.49Å
344	V	91.9	Very high	90.7	Very high	13 Å²	13	64.4 Å²	64.4	8%	0.079	34%	0.335	C	S	.	.	H	α-helix	trans	-74.9	-36.9	176.8	175.8	0	0	0	0	111	V337 Q338 T341 P342 N348 I390	V337-V344 HydrophobicContact CG1-CG2 3.43Å; V337-V344 VanDerWaalsContact CG1-CG2 3.43Å; Q338-V344 WeakPolarHBondContact O-CG2 3.17Å; T341-V344 WeakPolarHBondContact O-CB 3.38Å; T341-V344 PolarHBondContact O-N 2.98Å; P342-V344 VanDerWaalsContact C-N 3.25Å; P342-V344 PolarHBondContact O-N 3.08Å; V344-N348 WeakPolarHBondContact O-CB 3.11Å; V344-N348 VanDerWaalsContact O-CG 3.32Å; V344-N348 PolarHBondContact O-N 3.12Å; V344-N348 PolarHBondContact O-ND2 3.43Å; V344-I390 HydrophobicContact CG1-CD1 4.49Å; V344-I390 HydrophobicContact CG2-CD1 4.25Å
345	E	92.2	Very high	90.1	Very high	129 Å²	129	57.6 Å²	57.6	60%	0.603	31%	0.311	S	S	*	.	H	α-helix	trans	-65.3	-45.6	174.9	-62.6	-177.6	160.6	0	0	111.3	T341 P342 N348 E349	T341-E345 PolarHBondContact O-N 3.32Å; P342-E345 PolarHBondContact O-N 3.46Å; P342-E345 VanDerWaalsContact O-N 3.16Å; E345-N348 PolarHBondContact O-N 3.08Å; E345-E349 PolarHBondContact O-N 3.13Å
346	E	94.1	Very high	89.6	Confident	49 Å²	49	62.4 Å²	62.4	23%	0.229	33%	0.328	C	S	.	.	H	α-helix	trans	-62.6	-41.1	175.5	-167.5	-179.1	-167.2	0	0	111.8	P342 E349 F350 L407 R411	P342-E346 WeakPolarHBondContact O-CB 3.33Å; P342-E346 PolarHBondContact O-N 3.12Å; E346-E349 CarbonylContact O-C 3.54Å; E346-E349 WeakPolarHBondContact O-CA 3.28Å; E346-E349 WeakPolarHBondContact O-CB 3.43Å; E346-E349 PolarHBondContact O-N 2.97Å; E346-E349 VanDerWaalsContact O-N 3.14Å; E346-F350 PolarHBondContact O-N 2.85Å; E346-L407 HydrophobicContact CB-CD1 4.3Å; E346-L407 HydrophobicContact CB-CD2 4.43Å; E346-L407 HydrophobicContact CG-CD1 4.44Å; E346-L407 HydrophobicContact CG-CD2 4.06Å; E346-R411 WeakPolarHBondContact OE1-CD 3.27Å; E346-R411 WeakPolarHBondContact OE1-CG 3.46Å; E346-R411 IonicContact OE1-CZ 3.56Å; E346-R411 IonicContact OE1-NE 2.81Å; E346-R411 IonicContact OE1-NH1 3.41Å; E346-R411 PolarHBondContact OE1-NH1 2.57Å; E346-R411 IonicContact OE2-CZ 3.72Å; E346-R411 IonicContact OE2-NH1 3.59Å; E346-R411 PolarHBondContact OE2-NH1 2.74Å
347	F	93.3	Very high	89.1	Confident	2 Å²	2	60.8 Å²	60.8	1%	0.009	32%	0.321	C	S	.	.	H	α-helix	trans	-65.6	-38	174.5	176.8	-100.1	0	0	0	113.5	S343 E349 F350 C351 F383 P389 I390 F393 L403 L407	S343-F347 WeakPolarHBondContact O-CB 3.48Å; S343-F347 PolarHBondContact O-N 3.02Å; F347-E349 VanDerWaalsContact C-N 3.27Å; F347-E349 PolarHBondContact O-N 3.16Å; F347-F350 HydrophobicContact CD2-CD1 4.03Å; F347-F350 HydrophobicContact CE2-CD1 4.08Å; F347-F350 HydrophobicContact CE2-CE1 4.34Å; F347-F350 WeakPolarHBondContact O-CB 3.48Å; F347-F350 PolarHBondContact O-N 2.91Å; F347-C351 PolarHBondContact O-N 2.95Å; F347-C351 PolarHBondContact O-SG 3.04Å; F347-F383 HydrophobicContact CE2-CE1 4.44Å; F347-F383 HydrophobicContact CE2-CZ 4.4Å; F347-F383 AromaticContact CZ-CE1 3.77Å; F347-F383 HydrophobicContact CZ-CE1 3.77Å; F347-F383 AromaticContact CZ-CZ 3.79Å; F347-F383 HydrophobicContact CZ-CZ 3.79Å; F347-P389 HydrophobicContact CE1-CB 4.22Å; F347-P389 HydrophobicContact CZ-CB 4.29Å; F347-I390 HydrophobicContact CD1-CD1 3.55Å; F347-I390 HydrophobicContact CE1-CD1 3.84Å; F347-I390 HydrophobicContact CG-CD1 4.21Å; F347-F393 HydrophobicContact CE1-CE2 4.44Å; F347-F393 AromaticContact CE2-CE2 3.79Å; F347-F393 HydrophobicContact CE2-CE2 3.79Å; F347-F393 HydrophobicContact CE2-CZ 4.04Å; F347-F393 AromaticContact CZ-CE2 3.75Å; F347-F393 HydrophobicContact CZ-CE2 3.75Å; F347-F393 HydrophobicContact CZ-CZ 4.42Å; F347-L403 HydrophobicContact CB-CD1 3.81Å; F347-L403 HydrophobicContact CD2-CD1 3.39Å; F347-L403 HydrophobicContact CE2-CD1 4.08Å; F347-L403 HydrophobicContact CG-CD1 3.65Å; F347-L407 HydrophobicContact CB-CD2 4.15Å
348	N	90.5	Very high	88.4	Confident	78 Å²	78	60.7 Å²	60.7	42%	0.417	32%	0.32	S	S	.	.	H	α-helix	trans	-65.5	-33.2	172.2	-76.6	-54.2	0	0	0	111.3	V344 E345 R352	V344-N348 WeakPolarHBondContact O-CB 3.11Å; V344-N348 VanDerWaalsContact O-CG 3.32Å; V344-N348 PolarHBondContact O-N 3.12Å; V344-N348 PolarHBondContact O-ND2 3.43Å; E345-N348 PolarHBondContact O-N 3.08Å; N348-R352 VanDerWaalsContact C-NH1 3.33Å; N348-R352 WeakPolarHBondContact O-CG 3.45Å; N348-R352 PolarHBondContact O-N 3.26Å; N348-R352 VanDerWaalsContact O-N 3.15Å; N348-R352 PolarHBondContact O-NH1 3.11Å
349	E	91	Very high	87.4	Confident	94 Å²	94	55 Å²	55	44%	0.439	30%	0.298	S	S	.	.	H	α-helix	trans	-68.9	-47.5	172.2	-162.3	-170.2	135	0	0	112.5	E345 E346 F347 C351 R352 N353	E345-E349 PolarHBondContact O-N 3.13Å; E346-E349 CarbonylContact O-C 3.54Å; E346-E349 WeakPolarHBondContact O-CA 3.28Å; E346-E349 WeakPolarHBondContact O-CB 3.43Å; E346-E349 PolarHBondContact O-N 2.97Å; E346-E349 VanDerWaalsContact O-N 3.14Å; F347-E349 VanDerWaalsContact C-N 3.27Å; F347-E349 PolarHBondContact O-N 3.16Å; E349-C351 VanDerWaalsContact C-N 3.29Å; E349-C351 PolarHBondContact O-N 2.78Å; E349-R352 PolarHBondContact O-N 2.92Å; E349-N353 WeakPolarHBondContact O-CB 3.35Å; E349-N353 VanDerWaalsContact O-CG 3.25Å; E349-N353 PolarHBondContact O-N 3.33Å; E349-N353 PolarHBondContact OE1-ND2 3.49Å
350	F	92.2	Very high	85.9	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-48.9	-50.3	171.5	162.5	-103	0	0	0	111.5	E346 F347 R352 N353 V354 L381 I406 L407 Y410 I421 F435 I436	E346-F350 PolarHBondContact O-N 2.85Å; F347-F350 HydrophobicContact CD2-CD1 4.03Å; F347-F350 HydrophobicContact CE2-CD1 4.08Å; F347-F350 HydrophobicContact CE2-CE1 4.34Å; F347-F350 WeakPolarHBondContact O-CB 3.48Å; F347-F350 PolarHBondContact O-N 2.91Å; F350-R352 PolarHBondContact O-N 3.42Å; F350-N353 PolarHBondContact O-N 3.45Å; F350-V354 HydrophobicContact CD2-CG2 3.97Å; F350-V354 HydrophobicContact CE2-CG2 3.63Å; F350-V354 HydrophobicContact CZ-CG2 4.02Å; F350-V354 WeakPolarHBondContact O-CB 3.03Å; F350-V354 WeakPolarHBondContact O-CG2 3.28Å; F350-V354 PolarHBondContact O-N 3.09Å; F350-L381 HydrophobicContact CE1-CD1 4.39Å; F350-I406 HydrophobicContact CE1-CG2 4.35Å; F350-I406 HydrophobicContact CZ-CG2 4.3Å; F350-L407 HydrophobicContact CB-CD2 4.34Å; F350-Y410 HydrophobicContact CD2-CD1 4.45Å; F350-Y410 AromaticContact CD2-CD2 3.38Å; F350-Y410 HydrophobicContact CD2-CD2 3.38Å; F350-Y410 AromaticContact CD2-CE2 3.73Å; F350-Y410 HydrophobicContact CD2-CE2 3.73Å; F350-Y410 AromaticContact CD2-CG 3.76Å; F350-Y410 HydrophobicContact CD2-CG 3.76Å; F350-Y410 AromaticContact CE2-CD2 3.82Å; F350-Y410 HydrophobicContact CE2-CD2 3.82Å; F350-Y410 HydrophobicContact CE2-CE2 4.39Å; F350-Y410 HydrophobicContact CE2-CG 4.37Å; F350-I421 HydrophobicContact CE2-CD1 4.05Å; F350-I421 HydrophobicContact CZ-CD1 4.13Å; F350-F435 HydrophobicContact CZ-CE1 4.4Å; F350-I436 HydrophobicContact CE1-CD1 4.09Å; F350-I436 HydrophobicContact CZ-CD1 4.42Å
351	C	89.3	Confident	83.7	Confident	8 Å²	8	56.8 Å²	56.8	5%	0.054	30%	0.304	C	S	.	.	H	α-helix	trans	-61	-42.3	178.1	-69.1	0	0	0	0	112.5	F347 E349 G355 L378	F347-C351 PolarHBondContact O-N 2.95Å; F347-C351 PolarHBondContact O-SG 3.04Å; E349-C351 VanDerWaalsContact C-N 3.29Å; E349-C351 PolarHBondContact O-N 2.78Å; C351-G355 PolarHBondContact O-N 3.05Å; C351-L378 HydrophobicContact CB-CD1 4.45Å; C351-L378 HydrophobicContact CB-CD2 3.9Å; C351-L378 WeakPolarHBondContact O-CD2 3.39Å
352	R	86.9	Confident	81.1	Confident	113 Å²	113	62.5 Å²	62.5	43%	0.426	33%	0.331	S	S	.	.	H	α-helix	trans	-62.6	-51.4	175.4	-72.2	-174.9	-55.3	-91.7	7.2	111.5	N348 E349 F350 V354 G355 E356 L374	N348-R352 VanDerWaalsContact C-NH1 3.33Å; N348-R352 WeakPolarHBondContact O-CG 3.45Å; N348-R352 PolarHBondContact O-N 3.26Å; N348-R352 VanDerWaalsContact O-N 3.15Å; N348-R352 PolarHBondContact O-NH1 3.11Å; E349-R352 PolarHBondContact O-N 2.92Å; F350-R352 PolarHBondContact O-N 3.42Å; R352-V354 VanDerWaalsContact C-N 3.31Å; R352-V354 PolarHBondContact O-N 3.18Å; R352-G355 PolarHBondContact O-N 2.68Å; R352-G355 VanDerWaalsContact O-N 3.09Å; R352-E356 WeakPolarHBondContact O-CG 3.45Å; R352-E356 PolarHBondContact O-N 2.9Å; R352-L374 HydrophobicContact CG-CD2 4.3Å
353	N	88.4	Confident	78.1	Confident	39 Å²	39	62.4 Å²	62.4	21%	0.209	33%	0.333	C	S	.	.	H	α-helix	trans	-63.9	-35.4	-176.1	-65.4	-11.1	0	0	0	112.2	E349 F350 K357 Y410	E349-N353 WeakPolarHBondContact O-CB 3.35Å; E349-N353 VanDerWaalsContact O-CG 3.25Å; E349-N353 PolarHBondContact O-N 3.33Å; E349-N353 PolarHBondContact OE1-ND2 3.49Å; F350-N353 PolarHBondContact O-N 3.45Å; N353-K357 PolarHBondContact O-N 2.88Å; N353-Y410 PolarHBondContact ND2-OH 2.82Å
354	V	87.2	Confident	75.3	Confident	1 Å²	1	67.3 Å²	67.3	1%	0.006	36%	0.364	C	S	.	.	H	α-helix	trans	-69.3	-46.5	171.2	173.1	0	0	0	0	110.9	F350 R352 E356 K357 L358 L381 F418 I421	F350-V354 HydrophobicContact CD2-CG2 3.97Å; F350-V354 HydrophobicContact CE2-CG2 3.63Å; F350-V354 HydrophobicContact CZ-CG2 4.02Å; F350-V354 WeakPolarHBondContact O-CB 3.03Å; F350-V354 WeakPolarHBondContact O-CG2 3.28Å; F350-V354 PolarHBondContact O-N 3.09Å; R352-V354 VanDerWaalsContact C-N 3.31Å; R352-V354 PolarHBondContact O-N 3.18Å; V354-E356 VanDerWaalsContact C-N 3.33Å; V354-E356 PolarHBondContact O-N 3.04Å; V354-K357 PolarHBondContact O-N 3.37Å; V354-L358 HydrophobicContact CG1-CD1 3.65Å; V354-L358 HydrophobicContact CG1-CG 4.01Å; V354-L358 WeakPolarHBondContact O-CB 3.15Å; V354-L358 WeakPolarHBondContact O-CG 3.44Å; V354-L358 PolarHBondContact O-N 2.98Å; V354-L381 HydrophobicContact CB-CD1 4.46Å; V354-L381 HydrophobicContact CG1-CD1 3.95Å; V354-L381 HydrophobicContact CG1-CD2 4.12Å; V354-L381 HydrophobicContact CG1-CG 4.18Å; V354-F418 HydrophobicContact CB-CE1 4.48Å; V354-F418 HydrophobicContact CG2-CE1 3.8Å; V354-F418 HydrophobicContact CG2-CZ 3.9Å; V354-I421 HydrophobicContact CG1-CG2 3.86Å; V354-I421 HydrophobicContact CG2-CD1 4.26Å
355	G	83.6	Confident	72.6	Confident	7 Å²	7	72.2 Å²	72.2	7%	0.072	39%	0.394	C	S	.	.	H	α-helix	trans	-56.6	-43.7	177.1	0	0	0	0	0	113	C351 R352 K357 L358 G359	C351-G355 PolarHBondContact O-N 3.05Å; R352-G355 PolarHBondContact O-N 2.68Å; R352-G355 VanDerWaalsContact O-N 3.09Å; G355-K357 PolarHBondContact O-N 2.78Å; G355-L358 PolarHBondContact O-N 3.33Å; G355-G359 PolarHBondContact O-N 3.01Å
356	E	84.3	Confident	70	Confident	148 Å²	148	71.6 Å²	71.6	69%	0.692	40%	0.4	S	S	*	.	H	α-helix	trans	-62.8	-39	176.8	-73.1	179.7	-172.2	0	0	113	R352 V354	R352-E356 WeakPolarHBondContact O-CG 3.45Å; R352-E356 PolarHBondContact O-N 2.9Å; V354-E356 VanDerWaalsContact C-N 3.33Å; V354-E356 PolarHBondContact O-N 3.04Å
357	K	81.7	Confident	67	Low	83 Å²	83	75.5 Å²	75.5	36%	0.361	43%	0.432	S	S	.	.	H	α-helix	trans	-77.3	-23.7	176.3	-78.2	172.9	171	-174.3	0	114.1	N353 V354 G355 H414 F418	N353-K357 PolarHBondContact O-N 2.88Å; V354-K357 PolarHBondContact O-N 3.37Å; G355-K357 PolarHBondContact O-N 2.78Å; K357-H414 PolarHBondContact NZ-NE2 3.13Å; K357-F418 HydrophobicContact CB-CE1 4.32Å; K357-F418 HydrophobicContact CD-CD1 3.72Å; K357-F418 HydrophobicContact CD-CE1 3.21Å; K357-F418 HydrophobicContact CD-CE2 4.24Å; K357-F418 HydrophobicContact CD-CG 4.44Å; K357-F418 HydrophobicContact CD-CZ 3.51Å; K357-F418 HydrophobicContact CG-CE1 4.39Å; K357-F418 VanDerWaalsContact NZ-CD2 3.29Å; K357-F418 VanDerWaalsContact NZ-CZ 3.32Å
358	L	77.7	Confident	64.4	Low	13 Å²	13	85.6 Å²	85.6	7%	0.068	47%	0.47	C	S	.	.	H	α-helix	trans	-85.3	-20.5	174.3	-70.7	-176.9	0	0	0	113.4	V354 G355 D377 K380 L422 A425	V354-L358 HydrophobicContact CG1-CD1 3.65Å; V354-L358 HydrophobicContact CG1-CG 4.01Å; V354-L358 WeakPolarHBondContact O-CB 3.15Å; V354-L358 WeakPolarHBondContact O-CG 3.44Å; V354-L358 PolarHBondContact O-N 2.98Å; G355-L358 PolarHBondContact O-N 3.33Å; L358-D377 HydrophobicContact CB-CB 4.37Å; L358-K380 HydrophobicContact CD1-CB 4.46Å; L358-L422 HydrophobicContact CD2-CD2 3.71Å; L358-A425 HydrophobicContact CD1-CB 4.1Å; L358-A425 HydrophobicContact CD2-CB 3.31Å; L358-A425 HydrophobicContact CG-CB 4.36Å
359	G	66.3	Low	61.6	Low	15 Å²	15	92.4 Å²	92.4	16%	0.155	50%	0.496	C	S	.	.	S	Bend	trans	-59.7	164.1	171.4	0	0	0	0	0	112.5	G355 T361	G355-G359 PolarHBondContact O-N 3.01Å; G359-T361 PolarHBondContact O-N 3.37Å
360	P	56.4	Low	58.8	Low	130 Å²	130	90.3 Å²	90.3	84%	0.844	50%	0.5	S	S	*	.			trans	-65.2	99.5	-174	26.3	-34.5	0	0	0	111.6	I362	P360-I362 PolarHBondContact O-N 3.08Å
361	T	39.3	Very low	56	Low	108 Å²	108	98.8 Å²	98.8	66%	0.663	55%	0.545	S	S	*	.			trans	-63.4	123.8	168	48.6	0	0	0	0	109.3	G359	G359-T361 PolarHBondContact O-N 3.37Å
362	I	35.1	Very low	53.5	Low	154 Å²	154	105.6 Å²	105.6	79%	0.79	58%	0.581	S	S	*	*			trans	79	90.3	168.1	-47.5	156.6	0	0	0	116.1	P360	P360-I362 PolarHBondContact O-N 3.08Å
363	S	27.1	Very low	51.7	Low	99 Å²	99	102.4 Å²	102.4	69%	0.692	58%	0.576	S	S	*	*			trans	-157.5	114.7	133	-82.9	0	0	0	0	109.9	T365	S363-T365 PolarHBondContact O-N 2.68Å
364	P	32.6	Very low	49.6	Very low	130 Å²	130	105.4 Å²	105.4	84%	0.844	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.4	31.4	-169.7	31.4	-34.5	0	0	0	114.7
365	T	36	Very low	48	Very low	116 Å²	116	108.8 Å²	108.8	71%	0.712	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-140.6	26	-164.5	52.8	0	0	0	0	116.6	S363	S363-T365 PolarHBondContact O-N 2.68Å
366	V	37.8	Very low	46.8	Very low	117 Å²	117	117.3 Å²	117.3	71%	0.709	65%	0.645	S	S	*	*			trans	-137.1	89.9	160.1	-171	0	0	0	0	112.5	R368	V366-R368 HydrophobicContact CG1-CB 4.18Å; V366-R368 HydrophobicContact CG1-CG 3.98Å; V366-R368 PolarHBondContact O-N 3.34Å
367	S	31.1	Very low	45.7	Very low	131 Å²	131	112.5 Å²	112.5	92%	0.916	62%	0.624	S	S	*	*			trans	-75.9	85.3	166.3	-57	0	0	0	0	110.8
368	R	37.3	Very low	45.1	Very low	213 Å²	213	109.6 Å²	109.6	80%	0.804	61%	0.612	S	S	*	*			trans	-128.3	100.7	167.9	-74.9	-170.6	-179.1	174.4	2.8	111.8	V366 G370	V366-R368 HydrophobicContact CG1-CB 4.18Å; V366-R368 HydrophobicContact CG1-CG 3.98Å; V366-R368 PolarHBondContact O-N 3.34Å; R368-G370 PolarHBondContact O-N 2.88Å
369	K	32.4	Very low	44.9	Very low	221 Å²	221	112.1 Å²	112.1	96%	0.961	63%	0.626	S	S	*	*			trans	-57.8	117.3	163.8	-68.6	176.8	174.4	-179.9	0	109.3
370	G	32.3	Very low	45.5	Very low	51 Å²	51	116 Å²	116	53%	0.526	64%	0.638	S	S	.	*	S	Bend	trans	170.4	134.9	173.9	0	0	0	0	0	110.9	R368 L372	R368-G370 PolarHBondContact O-N 2.88Å; G370-L372 VanDerWaalsContact C-N 3.27Å; G370-L372 PolarHBondContact O-N 3.3Å
371	N	33.7	Very low	46.9	Very low	177 Å²	177	110 Å²	110	95%	0.947	60%	0.599	S	S	*	*			trans	-51.5	69.5	-170.9	-72	-7.3	0	0	0	116.2	S373	N371-S373 VanDerWaalsContact C-N 3.27Å; N371-S373 PolarHBondContact O-N 2.96Å
372	L	37.4	Very low	49.1	Very low	152 Å²	152	105.4 Å²	105.4	80%	0.796	57%	0.573	S	S	*	*			trans	-79.8	74.5	178.3	-79.1	158.8	0	0	0	111.1	G370 L374	G370-L372 VanDerWaalsContact C-N 3.27Å; G370-L372 PolarHBondContact O-N 3.3Å; L372-L374 PolarHBondContact O-N 3.38Å
373	S	48.2	Very low	51.5	Low	46 Å²	46	98.8 Å²	98.8	32%	0.322	54%	0.539	S	S	.	.			trans	56	53.3	146.4	-143.7	0	0	0	0	119.4	N371 S375 R376	N371-S373 VanDerWaalsContact C-N 3.27Å; N371-S373 PolarHBondContact O-N 2.96Å; S373-S375 PolarHBondContact O-N 3.45Å; S373-R376 PolarHBondContact O-N 3.44Å; S373-R376 WeakPolarHBondContact OG-CG 3.14Å
374	L	45.3	Very low	54.3	Low	101 Å²	101	102.2 Å²	102.2	53%	0.529	54%	0.536	S	S	.	.	H	α-helix	trans	-44.9	-36.4	161.7	-109.4	101.2	0	0	0	112.5	R352 L372 R376 D377 L378	R352-L374 HydrophobicContact CG-CD2 4.3Å; L372-L374 PolarHBondContact O-N 3.38Å; L374-R376 VanDerWaalsContact C-N 3.32Å; L374-R376 PolarHBondContact O-N 3.29Å; L374-D377 PolarHBondContact O-N 3.24Å; L374-L378 HydrophobicContact CD2-CD1 4.27Å; L374-L378 WeakPolarHBondContact O-CB 3.24Å; L374-L378 VanDerWaalsContact O-CG 3.26Å; L374-L378 WeakPolarHBondContact O-CG 3.25Å; L374-L378 PolarHBondContact O-N 3.01Å; L374-L378 VanDerWaalsContact O-N 3.1Å
375	S	53.6	Low	56.5	Low	72 Å²	72	97.5 Å²	97.5	50%	0.503	51%	0.505	S	S	.	.	H	α-helix	trans	-58.4	-33.6	177	172.6	0	0	0	0	114.3	S373 N379	S373-S375 PolarHBondContact O-N 3.45Å; S375-N379 VanDerWaalsContact O-CG 3.31Å; S375-N379 PolarHBondContact O-ND2 2.87Å
376	R	56.7	Low	58.3	Low	187 Å²	187	99 Å²	99	71%	0.706	50%	0.502	S	S	*	.	H	α-helix	trans	-73.3	-45	180	-84.4	-178.9	-164.9	-178.1	6.7	112.2	S373 L374 N379	S373-R376 PolarHBondContact O-N 3.44Å; S373-R376 WeakPolarHBondContact OG-CG 3.14Å; L374-R376 VanDerWaalsContact C-N 3.32Å; L374-R376 PolarHBondContact O-N 3.29Å; R376-N379 WeakPolarHBondContact O-CB 3.4Å; R376-N379 PolarHBondContact O-N 3.49Å
377	D	61.8	Low	60.1	Low	47 Å²	47	98.6 Å²	98.6	25%	0.251	51%	0.505	S	S	.	.	H	α-helix	trans	-74.9	-33.7	-175.4	-59.5	-40.9	0	0	0	111.4	L358 L374 N379 K380	L358-D377 HydrophobicContact CB-CB 4.37Å; L374-D377 PolarHBondContact O-N 3.24Å; D377-N379 VanDerWaalsContact C-N 3.26Å; D377-N379 PolarHBondContact O-N 2.72Å; D377-K380 WeakPolarHBondContact O-CB 3.39Å; D377-K380 PolarHBondContact O-N 3.29Å; D377-K380 VanDerWaalsContact O-N 3.14Å
378	L	69.9	Low	62.6	Low	22 Å²	22	95.3 Å²	95.3	12%	0.115	48%	0.477	C	S	.	.	H	α-helix	trans	-63.8	-24.7	171.5	-71.9	174.4	0	0	0	114	C351 L374 K380 L381	C351-L378 HydrophobicContact CB-CD1 4.45Å; C351-L378 HydrophobicContact CB-CD2 3.9Å; C351-L378 WeakPolarHBondContact O-CD2 3.39Å; L374-L378 HydrophobicContact CD2-CD1 4.27Å; L374-L378 WeakPolarHBondContact O-CB 3.24Å; L374-L378 VanDerWaalsContact O-CG 3.26Å; L374-L378 WeakPolarHBondContact O-CG 3.25Å; L374-L378 PolarHBondContact O-N 3.01Å; L374-L378 VanDerWaalsContact O-N 3.1Å; L378-K380 PolarHBondContact O-N 2.66Å; L378-K380 VanDerWaalsContact O-N 3.14Å; L378-L381 HydrophobicContact CD2-CD1 3.84Å; L378-L381 WeakPolarHBondContact O-CB 3.47Å; L378-L381 PolarHBondContact O-N 3.39Å; L378-L381 VanDerWaalsContact O-N 3.07Å
379	N	73.4	Confident	64.9	Low	66 Å²	66	86.7 Å²	86.7	35%	0.353	45%	0.448	S	S	.	.	G	3₁₀ helix	trans	-60.1	-24.5	174	-70.4	-55.6	0	0	0	112.3	S375 R376 D377 L381 G382	S375-N379 VanDerWaalsContact O-CG 3.31Å; S375-N379 PolarHBondContact O-ND2 2.87Å; R376-N379 WeakPolarHBondContact O-CB 3.4Å; R376-N379 PolarHBondContact O-N 3.49Å; D377-N379 VanDerWaalsContact C-N 3.26Å; D377-N379 PolarHBondContact O-N 2.72Å; N379-L381 PolarHBondContact O-N 2.7Å; N379-G382 PolarHBondContact O-N 2.72Å
380	K	78.8	Confident	67.6	Low	97 Å²	97	76.9 Å²	76.9	42%	0.422	41%	0.406	S	S	.	.	G	3₁₀ helix	trans	-71.6	-14.9	177.7	-62.2	-173.3	171.2	-168.6	0	114	L358 D377 L378 G382 A425	L358-K380 HydrophobicContact CD1-CB 4.46Å; D377-K380 WeakPolarHBondContact O-CB 3.39Å; D377-K380 PolarHBondContact O-N 3.29Å; D377-K380 VanDerWaalsContact O-N 3.14Å; L378-K380 PolarHBondContact O-N 2.66Å; L378-K380 VanDerWaalsContact O-N 3.14Å; K380-G382 PolarHBondContact O-N 3.46Å; K380-A425 HydrophobicContact CB-CB 4.11Å; K380-A425 HydrophobicContact CD-CB 3.94Å; K380-A425 WeakPolarHBondContact CD-O 3.44Å; K380-A425 PolarHBondContact NZ-O 3.15Å
381	L	84.9	Confident	70.4	Confident	2 Å²	2	78.6 Å²	78.6	1%	0.01	40%	0.4	C	S	.	.	G	3₁₀ helix	trans	-76.1	-8.6	173.4	-79.3	172.9	0	0	0	113.3	F350 V354 L378 N379 F383 I421 F435 I436	F350-L381 HydrophobicContact CE1-CD1 4.39Å; V354-L381 HydrophobicContact CB-CD1 4.46Å; V354-L381 HydrophobicContact CG1-CD1 3.95Å; V354-L381 HydrophobicContact CG1-CD2 4.12Å; V354-L381 HydrophobicContact CG1-CG 4.18Å; L378-L381 HydrophobicContact CD2-CD1 3.84Å; L378-L381 WeakPolarHBondContact O-CB 3.47Å; L378-L381 PolarHBondContact O-N 3.39Å; L378-L381 VanDerWaalsContact O-N 3.07Å; N379-L381 PolarHBondContact O-N 2.7Å; L381-F383 HydrophobicContact CB-CD2 3.98Å; L381-F383 HydrophobicContact CB-CE2 3.7Å; L381-F383 HydrophobicContact CB-CZ 4.48Å; L381-F383 HydrophobicContact CD1-CE2 3.81Å; L381-F383 HydrophobicContact CD1-CZ 4.3Å; L381-F383 HydrophobicContact CG-CE2 4.43Å; L381-I421 HydrophobicContact CD2-CD1 4.34Å; L381-I421 HydrophobicContact CD2-CG1 4.11Å; L381-I421 HydrophobicContact CD2-CG2 3.89Å; L381-F435 HydrophobicContact CD2-CD1 4.11Å; L381-F435 PolarHBondContact O-N 2.83Å; L381-I436 HydrophobicContact CB-CG1 4.03Å; L381-I436 PolarHBondContact O-N 3.48Å
382	G	85.2	Confident	73	Confident	13 Å²	13	70.5 Å²	70.5	13%	0.134	36%	0.357	C	S	.	.			trans	79.2	25.4	173.8	0	0	0	0	0	115.1	N379 K380 Q437	N379-G382 PolarHBondContact O-N 2.72Å; K380-G382 PolarHBondContact O-N 3.46Å; G382-Q437 WeakPolarHBondContact O-CG 3.43Å
383	F	86.6	Confident	75.7	Confident	15 Å²	15	63.3 Å²	63.3	7%	0.066	32%	0.319	C	S	.	.			trans	-57.9	142.2	170.8	-66.3	-75.3	0	0	0	111.9	F347 L381 P389 D392 I436	F347-F383 HydrophobicContact CE2-CE1 4.44Å; F347-F383 HydrophobicContact CE2-CZ 4.4Å; F347-F383 AromaticContact CZ-CE1 3.77Å; F347-F383 HydrophobicContact CZ-CE1 3.77Å; F347-F383 AromaticContact CZ-CZ 3.79Å; F347-F383 HydrophobicContact CZ-CZ 3.79Å; L381-F383 HydrophobicContact CB-CD2 3.98Å; L381-F383 HydrophobicContact CB-CE2 3.7Å; L381-F383 HydrophobicContact CB-CZ 4.48Å; L381-F383 HydrophobicContact CD1-CE2 3.81Å; L381-F383 HydrophobicContact CD1-CZ 4.3Å; L381-F383 HydrophobicContact CG-CE2 4.43Å; F383-P389 HydrophobicContact CD1-CB 3.77Å; F383-P389 HydrophobicContact CD2-CB 4.21Å; F383-P389 HydrophobicContact CD2-CG 4.48Å; F383-P389 HydrophobicContact CE1-CB 3.58Å; F383-P389 HydrophobicContact CE2-CB 4.04Å; F383-P389 HydrophobicContact CE2-CG 4.44Å; F383-P389 HydrophobicContact CG-CB 4.08Å; F383-P389 HydrophobicContact CZ-CB 3.73Å; F383-D392 VanDerWaalsContact CA-OD2 3.32Å; F383-D392 WeakPolarHBondContact CA-OD2 3.45Å; F383-I436 HydrophobicContact CD1-CB 4.1Å; F383-I436 HydrophobicContact CD1-CG1 4.14Å; F383-I436 HydrophobicContact CD1-CG2 3.77Å; F383-I436 HydrophobicContact CE1-CB 4.01Å; F383-I436 HydrophobicContact CE1-CD1 4.2Å; F383-I436 HydrophobicContact CE1-CG1 3.66Å; F383-I436 HydrophobicContact CE1-CG2 3.63Å; F383-I436 HydrophobicContact CE2-CG1 4.22Å; F383-I436 HydrophobicContact CZ-CD1 4.13Å; F383-I436 HydrophobicContact CZ-CG1 3.71Å
384	R	84.4	Confident	77.7	Confident	170 Å²	170	64.2 Å²	64.2	64%	0.642	32%	0.321	S	S	*	.	S	Bend	trans	-75.2	-44.6	170.2	179.2	-178	-72.8	-140.4	-2.1	110	D392 Q437	R384-D392 PolarHBondContact N-OD2 2.92Å; R384-Q437 HydrophobicContact CB-CG 4.4Å
385	T	80.3	Confident	79.9	Confident	31 Å²	31	64.1 Å²	64.1	19%	0.19	32%	0.324	C	S	.	.			trans	-95.1	100.8	-176.7	-45.9	0	0	0	0	111.5	S387 E391 D392	T385-S387 PolarHBondContact O-N 3.28Å; T385-E391 HydrophobicContact CG2-CB 4.04Å; T385-E391 WeakPolarHBondContact CG2-OE2 3.42Å; T385-D392 WeakPolarHBondContact CB-OD1 3.42Å; T385-D392 PolarHBondContact N-OD1 3.34Å; T385-D392 PolarHBondContact OG1-OD1 3.2Å
386	K	72.2	Confident	81.7	Confident	149 Å²	149	63.3 Å²	63.3	65%	0.648	32%	0.316	S	S	*	.	S	Bend	trans	-76.2	-19.5	-173.5	-61.2	-176.4	179.8	179.9	0	115
387	S	75.9	Confident	83.4	Confident	108 Å²	108	57.4 Å²	57.4	76%	0.755	30%	0.302	S	S	*	.	S	Bend	trans	-81.4	-41	179.6	40.2	0	0	0	0	112.7	T385	T385-S387 PolarHBondContact O-N 3.28Å
388	N	83.2	Confident	85	Confident	62 Å²	62	55.3 Å²	55.3	33%	0.332	29%	0.291	S	S	.	.			trans	-146	94.6	-173.5	-174.1	12.9	0	0	0	109.7	I390 E391	N388-I390 PolarHBondContact O-N 2.76Å; N388-I390 WeakPolarHBondContact OD1-CG2 3.33Å; N388-E391 HydrophobicContact CB-CG 4.14Å; N388-E391 VanDerWaalsContact CB-OE1 3.27Å; N388-E391 WeakPolarHBondContact CB-OE1 3.32Å; N388-E391 PolarHBondContact ND2-OE1 2.93Å; N388-E391 WeakPolarHBondContact O-CB 3.2Å; N388-E391 PolarHBondContact O-N 2.7Å; N388-E391 VanDerWaalsContact O-N 3.09Å
389	P	86.5	Confident	86.2	Confident	31 Å²	31	54.3 Å²	54.3	20%	0.201	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-59.2	-17.9	-173.2	-28.4	36.7	0	0	0	115.7	F347 F383 E391	F347-P389 HydrophobicContact CE1-CB 4.22Å; F347-P389 HydrophobicContact CZ-CB 4.29Å; F383-P389 HydrophobicContact CD1-CB 3.77Å; F383-P389 HydrophobicContact CD2-CB 4.21Å; F383-P389 HydrophobicContact CD2-CG 4.48Å; F383-P389 HydrophobicContact CE1-CB 3.58Å; F383-P389 HydrophobicContact CE2-CB 4.04Å; F383-P389 HydrophobicContact CE2-CG 4.44Å; F383-P389 HydrophobicContact CG-CB 4.08Å; F383-P389 HydrophobicContact CZ-CB 3.73Å; P389-E391 VanDerWaalsContact C-N 3.34Å
390	I	89.3	Confident	87.2	Confident	16 Å²	16	52.1 Å²	52.1	8%	0.082	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-74.8	-23.6	178.6	-151.9	70.6	0	0	0	112.9	V337 L339 V344 F347 N388 D392 F393 L403	V337-I390 HydrophobicContact CG1-CD1 4.16Å; V337-I390 HydrophobicContact CG1-CG1 4.02Å; L339-I390 HydrophobicContact CD2-CG2 4.16Å; V344-I390 HydrophobicContact CG1-CD1 4.49Å; V344-I390 HydrophobicContact CG2-CD1 4.25Å; F347-I390 HydrophobicContact CD1-CD1 3.55Å; F347-I390 HydrophobicContact CE1-CD1 3.84Å; F347-I390 HydrophobicContact CG-CD1 4.21Å; N388-I390 PolarHBondContact O-N 2.76Å; N388-I390 WeakPolarHBondContact OD1-CG2 3.33Å; I390-D392 PolarHBondContact O-N 2.95Å; I390-F393 HydrophobicContact CD1-CD2 4.25Å; I390-F393 PolarHBondContact O-N 2.93Å; I390-F393 VanDerWaalsContact O-N 3.08Å; I390-L403 HydrophobicContact CD1-CD2 4.18Å
391	E	90	Very high	88.1	Confident	86 Å²	86	47.6 Å²	47.6	40%	0.402	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-67.4	-19.3	179.8	-72.9	169.3	-155.1	0	0	112.3	T385 N388 P389 F393 D394	T385-E391 HydrophobicContact CG2-CB 4.04Å; T385-E391 WeakPolarHBondContact CG2-OE2 3.42Å; N388-E391 HydrophobicContact CB-CG 4.14Å; N388-E391 VanDerWaalsContact CB-OE1 3.27Å; N388-E391 WeakPolarHBondContact CB-OE1 3.32Å; N388-E391 PolarHBondContact ND2-OE1 2.93Å; N388-E391 WeakPolarHBondContact O-CB 3.2Å; N388-E391 PolarHBondContact O-N 2.7Å; N388-E391 VanDerWaalsContact O-N 3.09Å; P389-E391 VanDerWaalsContact C-N 3.34Å; E391-F393 PolarHBondContact O-N 3.26Å; E391-D394 WeakPolarHBondContact O-CB 3.29Å; E391-D394 PolarHBondContact O-N 3.38Å; E391-D394 VanDerWaalsContact O-N 3.13Å
392	D	90.3	Very high	88.7	Confident	7 Å²	7	47.5 Å²	47.5	4%	0.037	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-62.3	-23.1	172	-80	15.2	0	0	0	112.3	F383 R384 T385 I390 Q437 I440	F383-D392 VanDerWaalsContact CA-OD2 3.32Å; F383-D392 WeakPolarHBondContact CA-OD2 3.45Å; R384-D392 PolarHBondContact N-OD2 2.92Å; T385-D392 WeakPolarHBondContact CB-OD1 3.42Å; T385-D392 PolarHBondContact N-OD1 3.34Å; T385-D392 PolarHBondContact OG1-OD1 3.2Å; I390-D392 PolarHBondContact O-N 2.95Å; D392-Q437 PolarHBondContact OD2-NE2 2.88Å; D392-I440 HydrophobicContact CB-CD1 3.96Å
393	F	93.8	Very high	89.2	Confident	2 Å²	2	46.9 Å²	46.9	1%	0.009	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-95.8	6.6	177.8	-55	-83.5	0	0	0	113.8	V337 F347 I390 E391 V395 G399 A402 L403 I406 I436 I440	V337-F393 HydrophobicContact CG2-CB 3.51Å; V337-F393 HydrophobicContact CG2-CG 4.35Å; F347-F393 HydrophobicContact CE1-CE2 4.44Å; F347-F393 AromaticContact CE2-CE2 3.79Å; F347-F393 HydrophobicContact CE2-CE2 3.79Å; F347-F393 HydrophobicContact CE2-CZ 4.04Å; F347-F393 AromaticContact CZ-CE2 3.75Å; F347-F393 HydrophobicContact CZ-CE2 3.75Å; F347-F393 HydrophobicContact CZ-CZ 4.42Å; I390-F393 HydrophobicContact CD1-CD2 4.25Å; I390-F393 PolarHBondContact O-N 2.93Å; I390-F393 VanDerWaalsContact O-N 3.08Å; E391-F393 PolarHBondContact O-N 3.26Å; F393-V395 VanDerWaalsContact C-N 3.28Å; F393-G399 WeakPolarHBondContact O-CA 3.41Å; F393-A402 HydrophobicContact CD1-CB 4.18Å; F393-A402 HydrophobicContact CE1-CB 4.22Å; F393-L403 HydrophobicContact CD1-CB 3.93Å; F393-L403 HydrophobicContact CD2-CD1 4.36Å; F393-L403 HydrophobicContact CE1-CB 4.09Å; F393-L403 HydrophobicContact CE1-CD1 4.33Å; F393-L403 HydrophobicContact CE2-CD1 4.01Å; F393-L403 HydrophobicContact CG-CB 4.29Å; F393-L403 HydrophobicContact CZ-CD1 3.99Å; F393-I406 HydrophobicContact CE1-CD1 3.8Å; F393-I406 HydrophobicContact CZ-CD1 3.84Å; F393-I436 HydrophobicContact CZ-CG2 4.12Å; F393-I440 HydrophobicContact CD1-CD1 4.11Å; F393-I440 HydrophobicContact CD1-CG1 4.13Å; F393-I440 HydrophobicContact CE1-CD1 3.9Å; F393-I440 HydrophobicContact CE1-CG1 3.8Å; F393-I440 HydrophobicContact CZ-CD1 4.31Å
394	D	90.1	Very high	89.7	Confident	65 Å²	65	47 Å²	47	35%	0.348	25%	0.248	S	C	.	.			trans	-79.1	-11.7	174.2	-102.3	-48	0	0	0	113.2	K336 E391	K336-D394 WeakPolarHBondContact CD-OD1 3.18Å; K336-D394 WeakPolarHBondContact CE-O 3.11Å; K336-D394 IonicContact NZ-OD1 3.82Å; K336-D394 PolarHBondContact NZ-OD1 3.23Å; E391-D394 WeakPolarHBondContact O-CB 3.29Å; E391-D394 PolarHBondContact O-N 3.38Å; E391-D394 VanDerWaalsContact O-N 3.13Å
395	V	90.9	Very high	90.3	Very high	98 Å²	98	39 Å²	39	59%	0.594	22%	0.218	S	C	*	.	S	Bend	trans	-80.1	126.9	174.9	-177.7	0	0	0	0	109.6	F393 P397 G399	F393-V395 VanDerWaalsContact C-N 3.28Å; V395-P397 CarbonylContact O-C 3.32Å; V395-G399 WeakPolarHBondContact O-CA 3.43Å; V395-G399 PolarHBondContact O-N 3.02Å
396	V	92.4	Very high	91.1	Very high	56 Å²	56	37.5 Å²	37.5	34%	0.339	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-132.4	121.3	-168.2	172.8	0	0	0	0	109.7	R334 K336	R334-V396 VanDerWaalsContact C-CG1 3.5Å; R334-V396 VanDerWaalsContact CA-CG1 3.48Å; R334-V396 HydrophobicContact CB-CG1 4.43Å; R334-V396 WeakPolarHBondContact O-CG1 3.45Å; K336-V396 HydrophobicContact CG-CG2 3.77Å
397	P	92	Very high	92.3	Very high	62 Å²	62	30.4 Å²	30.4	40%	0.403	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	cis	-66.6	162.1	-8.3	31.6	-36.1	0	0	0	112.7	A333 V395 L447	A333-P397 WeakPolarHBondContact O-CA 3.47Å; V395-P397 CarbonylContact O-C 3.32Å; P397-L447 HydrophobicContact CB-CD1 3.98Å
398	P	94.7	Very high	93.3	Very high	3 Å²	3	26.6 Å²	26.6	2%	0.019	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	cis	-99.7	-0.7	3.8	39.3	-37.1	0	0	0	115.2	A333 Q400 L401 A402 I440 V443 L447	A333-P398 VanDerWaalsContact CA-O 3.3Å; A333-P398 WeakPolarHBondContact CA-O 3.46Å; A333-P398 CarbonylContact O-C 3.49Å; A333-P398 VanDerWaalsContact O-C 3.27Å; P398-Q400 PolarHBondContact O-N 3.46Å; P398-L401 WeakPolarHBondContact O-CB 3.02Å; P398-L401 PolarHBondContact O-N 3.49Å; P398-L401 VanDerWaalsContact O-N 3.09Å; P398-A402 HydrophobicContact CB-CB 4.16Å; P398-A402 HydrophobicContact CG-CB 3.61Å; P398-I440 HydrophobicContact CG-CG2 3.84Å; P398-V443 HydrophobicContact CB-CB 3.95Å; P398-V443 HydrophobicContact CB-CG1 3.5Å; P398-V443 VanDerWaalsContact CB-CG1 3.5Å; P398-V443 HydrophobicContact CG-CB 4.2Å; P398-V443 HydrophobicContact CG-CG1 4.27Å; P398-L447 HydrophobicContact CB-CD1 4.09Å
399	G	94.5	Very high	94	Very high	1 Å²	1	23.8 Å²	23.8	1%	0.01	13%	0.132	C	C	.	.	H	α-helix	trans	49.5	-131.5	171.8	0	0	0	0	0	115.7	S335 F393 V395 L401 A402	S335-G399 WeakPolarHBondContact O-CA 3.29Å; F393-G399 WeakPolarHBondContact O-CA 3.41Å; V395-G399 WeakPolarHBondContact O-CA 3.43Å; V395-G399 PolarHBondContact O-N 3.02Å; G399-L401 PolarHBondContact O-N 2.92Å; G399-A402 PolarHBondContact O-N 3.03Å
400	Q	95.7	Very high	94.5	Very high	21 Å²	21	23.4 Å²	23.4	10%	0.098	13%	0.127	C	C	.	.	H	α-helix	trans	-57.2	-29.4	178.7	-178.2	67.6	51.2	0	0	113.5	S335 V337 P398 A402 L403 D404	S335-Q400 PolarHBondContact O-N 3.48Å; V337-Q400 HydrophobicContact CG2-CB 4.49Å; P398-Q400 PolarHBondContact O-N 3.46Å; Q400-A402 VanDerWaalsContact C-N 3.35Å; Q400-A402 PolarHBondContact O-N 3.31Å; Q400-L403 WeakPolarHBondContact O-CB 3.18Å; Q400-L403 PolarHBondContact O-N 3.49Å; Q400-D404 PolarHBondContact NE2-OD1 3.28Å; Q400-D404 PolarHBondContact O-N 3Å
401	L	97.1	Very high	94.8	Very high	2 Å²	2	29.1 Å²	29.1	1%	0.01	15%	0.147	C	C	.	.	H	α-helix	trans	-63.8	-40.6	-179.2	-178.1	62	0	0	0	111.6	Y329 K332 A333 P398 G399 L403 D404 C405 V443 L447 F474	Y329-L401 HydrophobicContact CD1-CD1 3.85Å; K332-L401 HydrophobicContact CB-CB 3.98Å; K332-L401 HydrophobicContact CB-CD1 4.33Å; K332-L401 PolarHBondContact O-N 3.49Å; A333-L401 HydrophobicContact CB-CB 4.33Å; A333-L401 HydrophobicContact CB-CD2 3.93Å; P398-L401 WeakPolarHBondContact O-CB 3.02Å; P398-L401 PolarHBondContact O-N 3.49Å; P398-L401 VanDerWaalsContact O-N 3.09Å; G399-L401 PolarHBondContact O-N 2.92Å; L401-L403 VanDerWaalsContact C-N 3.34Å; L401-L403 PolarHBondContact O-N 3.42Å; L401-D404 PolarHBondContact O-N 3.29Å; L401-C405 WeakPolarHBondContact O-CB 3.43Å; L401-C405 PolarHBondContact O-N 2.75Å; L401-C405 PolarHBondContact O-SG 3.05Å; L401-V443 HydrophobicContact CB-CG1 4.39Å; L401-V443 HydrophobicContact CD2-CG1 3.77Å; L401-V443 HydrophobicContact CG-CG1 3.87Å; L401-L447 HydrophobicContact CD2-CD2 3.96Å; L401-L447 HydrophobicContact CD2-CG 4.5Å; L401-F474 HydrophobicContact CD1-CD1 4.31Å; L401-F474 HydrophobicContact CD1-CE1 4.14Å; L401-F474 HydrophobicContact CD2-CE1 3.76Å; L401-F474 HydrophobicContact CD2-CZ 3.99Å; L401-F474 HydrophobicContact CG-CE1 4.03Å
402	A	97.4	Very high	95	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-67.5	-35.2	177.8	0	0	0	0	0	112.8	F393 P398 G399 Q400 I406 I440 V443	F393-A402 HydrophobicContact CD1-CB 4.18Å; F393-A402 HydrophobicContact CE1-CB 4.22Å; P398-A402 HydrophobicContact CB-CB 4.16Å; P398-A402 HydrophobicContact CG-CB 3.61Å; G399-A402 PolarHBondContact O-N 3.03Å; Q400-A402 VanDerWaalsContact C-N 3.35Å; Q400-A402 PolarHBondContact O-N 3.31Å; A402-I406 WeakPolarHBondContact O-CD1 3.45Å; A402-I406 VanDerWaalsContact O-CG1 3.28Å; A402-I406 WeakPolarHBondContact O-CG1 3.39Å; A402-I406 PolarHBondContact O-N 3.5Å; A402-I406 VanDerWaalsContact O-N 3.13Å; A402-I440 HydrophobicContact CB-CB 4.5Å; A402-I440 HydrophobicContact CB-CG1 4.1Å; A402-V443 HydrophobicContact CB-CB 4.24Å; A402-V443 HydrophobicContact CB-CG2 4.13Å
403	L	96.7	Very high	95.3	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-61.3	-51.2	172.6	-177.5	59.7	0	0	0	110.6	V337 F347 I390 F393 Q400 L401 C405 I406 L407	V337-L403 HydrophobicContact CB-CD2 4.41Å; V337-L403 HydrophobicContact CG1-CD2 3.7Å; V337-L403 HydrophobicContact CG2-CB 4.32Å; V337-L403 HydrophobicContact CG2-CD2 3.74Å; F347-L403 HydrophobicContact CB-CD1 3.81Å; F347-L403 HydrophobicContact CD2-CD1 3.39Å; F347-L403 HydrophobicContact CE2-CD1 4.08Å; F347-L403 HydrophobicContact CG-CD1 3.65Å; I390-L403 HydrophobicContact CD1-CD2 4.18Å; F393-L403 HydrophobicContact CD1-CB 3.93Å; F393-L403 HydrophobicContact CD2-CD1 4.36Å; F393-L403 HydrophobicContact CE1-CB 4.09Å; F393-L403 HydrophobicContact CE1-CD1 4.33Å; F393-L403 HydrophobicContact CE2-CD1 4.01Å; F393-L403 HydrophobicContact CG-CB 4.29Å; F393-L403 HydrophobicContact CZ-CD1 3.99Å; Q400-L403 WeakPolarHBondContact O-CB 3.18Å; Q400-L403 PolarHBondContact O-N 3.49Å; L401-L403 VanDerWaalsContact C-N 3.34Å; L401-L403 PolarHBondContact O-N 3.42Å; L403-C405 VanDerWaalsContact C-N 3.35Å; L403-C405 PolarHBondContact O-N 2.87Å; L403-I406 PolarHBondContact O-N 2.96Å; L403-L407 HydrophobicContact CD1-CD1 4.28Å; L403-L407 HydrophobicContact CD1-CG 4.46Å; L403-L407 HydrophobicContact CG-CD1 4.14Å; L403-L407 WeakPolarHBondContact O-CG 3.44Å; L403-L407 PolarHBondContact O-N 3.44Å
404	D	96.4	Very high	95.3	Very high	18 Å²	18	34.5 Å²	34.5	10%	0.096	18%	0.179	C	C	.	.	H	α-helix	trans	-61.3	-40.7	-179.3	-72.2	-7.9	0	0	0	112.3	K332 S343 Q400 L401 L407 Y408	K332-D404 VanDerWaalsContact CD-OD2 3.31Å; K332-D404 WeakPolarHBondContact CD-OD2 3.23Å; K332-D404 VanDerWaalsContact CE-OD2 3.26Å; K332-D404 WeakPolarHBondContact CE-OD2 3.26Å; K332-D404 IonicContact NZ-OD2 3.43Å; K332-D404 PolarHBondContact NZ-OD2 3.47Å; S343-D404 PolarHBondContact OG-OD1 3.27Å; Q400-D404 PolarHBondContact NE2-OD1 3.28Å; Q400-D404 PolarHBondContact O-N 3Å; L401-D404 PolarHBondContact O-N 3.29Å; D404-L407 PolarHBondContact O-N 3.02Å; D404-Y408 WeakPolarHBondContact O-CB 3.45Å; D404-Y408 PolarHBondContact O-N 3.5Å
405	C	97.7	Very high	95.6	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-64.8	-39.7	177	-68.2	0	0	0	0	112.9	L401 L403 Y408 F409 V443 F478	L401-C405 WeakPolarHBondContact O-CB 3.43Å; L401-C405 PolarHBondContact O-N 2.75Å; L401-C405 PolarHBondContact O-SG 3.05Å; L403-C405 VanDerWaalsContact C-N 3.35Å; L403-C405 PolarHBondContact O-N 2.87Å; C405-Y408 PolarHBondContact O-N 3.39Å; C405-F409 WeakPolarHBondContact O-CB 3.37Å; C405-F409 PolarHBondContact O-N 3.28Å; C405-V443 HydrophobicContact CB-CG2 4.26Å; C405-F478 HydrophobicContact CB-CD1 3.69Å; C405-F478 HydrophobicContact CB-CD2 4.1Å; C405-F478 HydrophobicContact CB-CE1 3.79Å; C405-F478 HydrophobicContact CB-CE2 4.19Å; C405-F478 HydrophobicContact CB-CG 3.84Å; C405-F478 HydrophobicContact CB-CZ 4.03Å; C405-F478 VanDerWaalsContact O-CE1 3.29Å; C405-F478 WeakPolarHBondContact O-CE1 3.41Å
406	I	97	Very high	95.8	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-64.8	-43.7	175.9	-69.5	166.5	0	0	0	110.6	F350 F393 A402 L403 F409 Y410 I436 C439 F478	F350-I406 HydrophobicContact CE1-CG2 4.35Å; F350-I406 HydrophobicContact CZ-CG2 4.3Å; F393-I406 HydrophobicContact CE1-CD1 3.8Å; F393-I406 HydrophobicContact CZ-CD1 3.84Å; A402-I406 WeakPolarHBondContact O-CD1 3.45Å; A402-I406 VanDerWaalsContact O-CG1 3.28Å; A402-I406 WeakPolarHBondContact O-CG1 3.39Å; A402-I406 PolarHBondContact O-N 3.5Å; A402-I406 VanDerWaalsContact O-N 3.13Å; L403-I406 PolarHBondContact O-N 2.96Å; I406-F409 PolarHBondContact O-N 3.36Å; I406-Y410 WeakPolarHBondContact O-CB 3.33Å; I406-Y410 PolarHBondContact O-N 3.28Å; I406-I436 HydrophobicContact CD1-CD1 4.12Å; I406-I436 HydrophobicContact CD1-CG2 4.49Å; I406-I436 HydrophobicContact CG2-CD1 4.46Å; I406-C439 HydrophobicContact CD1-CB 3.7Å; I406-C439 HydrophobicContact CG1-CB 3.72Å; I406-F478 HydrophobicContact CG1-CZ 4.14Å
407	L	96.8	Very high	95.9	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.005	17%	0.168	C	C	.	.	H	α-helix	trans	-66.2	-39.5	177.3	-64	176	0	0	0	111.8	S343 E346 F347 F350 L403 D404 Y410 R411	S343-L407 WeakPolarHBondContact O-CD1 3.49Å; E346-L407 HydrophobicContact CB-CD1 4.3Å; E346-L407 HydrophobicContact CB-CD2 4.43Å; E346-L407 HydrophobicContact CG-CD1 4.44Å; E346-L407 HydrophobicContact CG-CD2 4.06Å; F347-L407 HydrophobicContact CB-CD2 4.15Å; F350-L407 HydrophobicContact CB-CD2 4.34Å; L403-L407 HydrophobicContact CD1-CD1 4.28Å; L403-L407 HydrophobicContact CD1-CG 4.46Å; L403-L407 HydrophobicContact CG-CD1 4.14Å; L403-L407 WeakPolarHBondContact O-CG 3.44Å; L403-L407 PolarHBondContact O-N 3.44Å; D404-L407 PolarHBondContact O-N 3.02Å; L407-Y410 PolarHBondContact O-N 2.85Å; L407-R411 WeakPolarHBondContact O-CG 3.42Å; L407-R411 PolarHBondContact O-N 2.82Å
408	Y	97.5	Very high	95.9	Very high	28 Å²	28	30.5 Å²	30.5	11%	0.11	15%	0.15	C	C	.	.	H	α-helix	trans	-59.9	-49.6	172.9	-173.5	-83.5	0	0	0	111.5	D404 C405 Y410 R411 C412 H472 D475 E476	D404-Y408 WeakPolarHBondContact O-CB 3.45Å; D404-Y408 PolarHBondContact O-N 3.5Å; C405-Y408 PolarHBondContact O-N 3.39Å; Y408-Y410 VanDerWaalsContact C-N 3.3Å; Y408-Y410 PolarHBondContact O-N 3.5Å; Y408-R411 PolarHBondContact O-N 2.85Å; Y408-C412 HydrophobicContact CD1-CB 4.25Å; Y408-C412 HydrophobicContact CE1-CB 3.84Å; Y408-C412 WeakPolarHBondContact O-CB 3.49Å; Y408-C412 PolarHBondContact O-N 2.95Å; Y408-H472 HydrophobicContact CE2-CB 3.72Å; Y408-H472 AromaticContact CE2-CD2 3.71Å; Y408-H472 AromaticContact CE2-CG 3.6Å; Y408-D475 HydrophobicContact CD1-CB 3.49Å; Y408-D475 VanDerWaalsContact CD1-CB 3.49Å; Y408-D475 HydrophobicContact CD2-CB 3.94Å; Y408-D475 HydrophobicContact CE1-CB 3.76Å; Y408-D475 HydrophobicContact CE2-CB 4.19Å; Y408-D475 HydrophobicContact CG-CB 3.6Å; Y408-E476 WeakPolarHBondContact CE1-OE1 3.3Å; Y408-E476 PolarHBondContact OH-OE1 3.48Å
409	F	97.5	Very high	95.8	Very high	2 Å²	2	36.5 Å²	36.5	1%	0.009	18%	0.176	C	C	.	.	H	α-helix	trans	-60.6	-40	178.6	-177.1	-139	0	0	0	112.2	C405 I406 H413 V416 C417 I420 F435 F478 C479 V482	C405-F409 WeakPolarHBondContact O-CB 3.37Å; C405-F409 PolarHBondContact O-N 3.28Å; I406-F409 PolarHBondContact O-N 3.36Å; F409-H413 HydrophobicContact CD2-CB 3.69Å; F409-H413 HydrophobicContact CE2-CB 3.73Å; F409-H413 CarbonylContact O-C 3.6Å; F409-H413 VanDerWaalsContact O-C 3.32Å; F409-H413 WeakPolarHBondContact O-CA 3.27Å; F409-H413 PolarHBondContact O-N 2.66Å; F409-H413 VanDerWaalsContact O-N 3.07Å; F409-V416 HydrophobicContact CE2-CB 4.17Å; F409-V416 HydrophobicContact CE2-CG1 4.22Å; F409-V416 HydrophobicContact CZ-CB 4.28Å; F409-V416 HydrophobicContact CZ-CG1 4.06Å; F409-C417 HydrophobicContact CD1-CB 3.74Å; F409-C417 HydrophobicContact CD2-CB 4.3Å; F409-C417 HydrophobicContact CE1-CB 3.59Å; F409-C417 HydrophobicContact CE2-CB 4.17Å; F409-C417 HydrophobicContact CG-CB 4.09Å; F409-C417 HydrophobicContact CZ-CB 3.83Å; F409-I420 HydrophobicContact CZ-CD1 4.16Å; F409-F435 HydrophobicContact CD1-CZ 4.26Å; F409-F435 HydrophobicContact CE1-CE2 4.32Å; F409-F435 HydrophobicContact CE1-CZ 4.24Å; F409-F478 HydrophobicContact CB-CD1 4.38Å; F409-F478 HydrophobicContact CB-CE1 3.97Å; F409-F478 HydrophobicContact CG-CE1 4.49Å; F409-C479 HydrophobicContact CD2-CB 3.66Å; F409-C479 WeakPolarHBondContact CD2-SG 3.38Å; F409-C479 HydrophobicContact CE2-CB 4.05Å; F409-C479 HydrophobicContact CG-CB 4.49Å; F409-V482 HydrophobicContact CD1-CG1 4.3Å; F409-V482 HydrophobicContact CE1-CB 4.14Å; F409-V482 HydrophobicContact CE1-CG1 3.62Å; F409-V482 HydrophobicContact CZ-CB 4.47Å; F409-V482 HydrophobicContact CZ-CG1 4.2Å
410	Y	95.7	Very high	95.8	Very high	24 Å²	24	36.9 Å²	36.9	9%	0.094	18%	0.178	C	C	.	.	H	α-helix	trans	-63.1	-43.7	173.8	174.4	-98.6	0	0	0	113.1	F350 N353 I406 L407 Y408 H414 F418	F350-Y410 HydrophobicContact CD2-CD1 4.45Å; F350-Y410 AromaticContact CD2-CD2 3.38Å; F350-Y410 HydrophobicContact CD2-CD2 3.38Å; F350-Y410 AromaticContact CD2-CE2 3.73Å; F350-Y410 HydrophobicContact CD2-CE2 3.73Å; F350-Y410 AromaticContact CD2-CG 3.76Å; F350-Y410 HydrophobicContact CD2-CG 3.76Å; F350-Y410 AromaticContact CE2-CD2 3.82Å; F350-Y410 HydrophobicContact CE2-CD2 3.82Å; F350-Y410 HydrophobicContact CE2-CE2 4.39Å; F350-Y410 HydrophobicContact CE2-CG 4.37Å; N353-Y410 PolarHBondContact ND2-OH 2.82Å; I406-Y410 WeakPolarHBondContact O-CB 3.33Å; I406-Y410 PolarHBondContact O-N 3.28Å; L407-Y410 PolarHBondContact O-N 2.85Å; Y408-Y410 VanDerWaalsContact C-N 3.3Å; Y408-Y410 PolarHBondContact O-N 3.5Å; Y410-H414 VanDerWaalsContact O-CA 3.28Å; Y410-H414 WeakPolarHBondContact O-CA 3.41Å; Y410-H414 WeakPolarHBondContact O-CB 3.21Å; Y410-F418 HydrophobicContact CD2-CE2 4.06Å; Y410-F418 HydrophobicContact CE2-CD2 4.41Å; Y410-F418 AromaticContact CE2-CE2 3.43Å; Y410-F418 HydrophobicContact CE2-CE2 3.43Å; Y410-F418 VanDerWaalsContact CE2-CE2 3.43Å; Y410-F418 AromaticContact CE2-CZ 3.84Å; Y410-F418 HydrophobicContact CE2-CZ 3.84Å
411	R	95.6	Very high	95.6	Very high	136 Å²	136	36.1 Å²	36.1	51%	0.513	17%	0.174	S	C	.	.	H	α-helix	trans	-70.8	-51.3	179.1	-75.9	-169.5	-66.7	-123.5	0.4	113.3	E346 L407 Y408	E346-R411 WeakPolarHBondContact OE1-CD 3.27Å; E346-R411 WeakPolarHBondContact OE1-CG 3.46Å; E346-R411 IonicContact OE1-CZ 3.56Å; E346-R411 IonicContact OE1-NE 2.81Å; E346-R411 IonicContact OE1-NH1 3.41Å; E346-R411 PolarHBondContact OE1-NH1 2.57Å; E346-R411 IonicContact OE2-CZ 3.72Å; E346-R411 IonicContact OE2-NH1 3.59Å; E346-R411 PolarHBondContact OE2-NH1 2.74Å; L407-R411 WeakPolarHBondContact O-CG 3.42Å; L407-R411 PolarHBondContact O-N 2.82Å; Y408-R411 PolarHBondContact O-N 2.85Å
412	C	96	Very high	95.3	Very high	67 Å²	67	38.6 Å²	38.6	45%	0.453	19%	0.187	S	C	.	.	H	α-helix	trans	-88.8	-29.1	-166.2	-65.5	0	0	0	0	113	Y408	Y408-C412 HydrophobicContact CD1-CB 4.25Å; Y408-C412 HydrophobicContact CE1-CB 3.84Å; Y408-C412 WeakPolarHBondContact O-CB 3.49Å; Y408-C412 PolarHBondContact O-N 2.95Å
413	H	95.6	Very high	95	Very high	52 Å²	52	42 Å²	42	24%	0.241	20%	0.203	C	C	.	.	S	Bend	trans	-128.5	40.3	-178.1	-58.2	-85.8	0	0	0	111.6	F409 D415 V416 C417 E476	F409-H413 HydrophobicContact CD2-CB 3.69Å; F409-H413 HydrophobicContact CE2-CB 3.73Å; F409-H413 CarbonylContact O-C 3.6Å; F409-H413 VanDerWaalsContact O-C 3.32Å; F409-H413 WeakPolarHBondContact O-CA 3.27Å; F409-H413 PolarHBondContact O-N 2.66Å; F409-H413 VanDerWaalsContact O-N 3.07Å; H413-D415 VanDerWaalsContact C-N 3.29Å; H413-D415 PolarHBondContact O-N 3.25Å; H413-D415 VanDerWaalsContact O-N 3.11Å; H413-V416 HydrophobicContact CB-CB 4.42Å; H413-V416 PolarHBondContact O-N 2.74Å; H413-C417 PolarHBondContact O-N 3.07Å; H413-E476 IonicContact CD2-OE1 3.79Å; H413-E476 IonicContact CE1-OE1 2.63Å; H413-E476 IonicContact CE1-OE2 3.72Å; H413-E476 IonicContact NE2-OE1 3.63Å; H413-E476 PolarHBondContact NE2-OE1 3.16Å; H413-E476 IonicContact NE2-OE2 3.29Å
414	H	94.3	Very high	94.6	Very high	89 Å²	89	42.3 Å²	42.3	41%	0.412	21%	0.205	S	C	.	.	H	α-helix	trans	-42.4	-48.3	-174.3	-179.7	94.8	0	0	0	114.3	K357 Y410 V416 C417 F418	K357-H414 PolarHBondContact NZ-NE2 3.13Å; Y410-H414 VanDerWaalsContact O-CA 3.28Å; Y410-H414 WeakPolarHBondContact O-CA 3.41Å; Y410-H414 WeakPolarHBondContact O-CB 3.21Å; H414-V416 PolarHBondContact O-N 3.46Å; H414-C417 PolarHBondContact O-N 2.79Å; H414-F418 AromaticContact CD2-CD2 3.92Å; H414-F418 AromaticContact CE1-CD2 3.92Å; H414-F418 AromaticContact CE1-CE2 3.32Å; H414-F418 WeakPolarHBondContact CE1-CE2 3.45Å; H414-F418 AromaticContact CG-CD2 3.96Å; H414-F418 AromaticContact ND1-CD2 3.68Å; H414-F418 AromaticContact ND1-CE2 3.64Å; H414-F418 WeakPolarHBondContact O-CB 3.24Å; H414-F418 PolarHBondContact O-N 2.81Å
415	D	95.1	Very high	94.1	Very high	129 Å²	129	41.8 Å²	41.8	69%	0.69	20%	0.203	S	C	*	.	H	α-helix	trans	-67	-37.8	-177.1	-65.5	-30.6	0	0	0	112.7	H413 K419	H413-D415 VanDerWaalsContact C-N 3.29Å; H413-D415 PolarHBondContact O-N 3.25Å; H413-D415 VanDerWaalsContact O-N 3.11Å; D415-K419 WeakPolarHBondContact O-CB 3.32Å; D415-K419 PolarHBondContact O-N 3.31Å
416	V	95.3	Very high	93.4	Very high	60 Å²	60	47.4 Å²	47.4	36%	0.364	23%	0.229	S	C	.	.	H	α-helix	trans	-70.9	-45.1	177	-171.6	0	0	0	0	110	F409 H413 H414 K419 I420	F409-V416 HydrophobicContact CE2-CB 4.17Å; F409-V416 HydrophobicContact CE2-CG1 4.22Å; F409-V416 HydrophobicContact CZ-CB 4.28Å; F409-V416 HydrophobicContact CZ-CG1 4.06Å; H413-V416 HydrophobicContact CB-CB 4.42Å; H413-V416 PolarHBondContact O-N 2.74Å; H414-V416 PolarHBondContact O-N 3.46Å; V416-K419 PolarHBondContact O-N 3.05Å; V416-I420 HydrophobicContact CG1-CD1 4.23Å; V416-I420 WeakPolarHBondContact O-CG1 3.39Å; V416-I420 PolarHBondContact O-N 2.63Å
417	C	94.7	Very high	92.8	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-58.3	-52.1	176.6	-176.1	0	0	0	0	111.4	F409 H413 H414 K419 I420 I421	F409-C417 HydrophobicContact CD1-CB 3.74Å; F409-C417 HydrophobicContact CD2-CB 4.3Å; F409-C417 HydrophobicContact CE1-CB 3.59Å; F409-C417 HydrophobicContact CE2-CB 4.17Å; F409-C417 HydrophobicContact CG-CB 4.09Å; F409-C417 HydrophobicContact CZ-CB 3.83Å; H413-C417 PolarHBondContact O-N 3.07Å; H414-C417 PolarHBondContact O-N 2.79Å; C417-K419 PolarHBondContact O-N 3.25Å; C417-I420 PolarHBondContact O-N 2.92Å; C417-I421 WeakPolarHBondContact O-CG1 3.23Å; C417-I421 PolarHBondContact O-N 2.86Å
418	F	92.6	Very high	92	Very high	8 Å²	8	57 Å²	57	4%	0.035	28%	0.281	C	S	.	.	H	α-helix	trans	-63.5	-40.4	177	-96.3	-68.4	0	0	0	113.1	V354 K357 Y410 H414 I420 I421 L422	V354-F418 HydrophobicContact CB-CE1 4.48Å; V354-F418 HydrophobicContact CG2-CE1 3.8Å; V354-F418 HydrophobicContact CG2-CZ 3.9Å; K357-F418 HydrophobicContact CB-CE1 4.32Å; K357-F418 HydrophobicContact CD-CD1 3.72Å; K357-F418 HydrophobicContact CD-CE1 3.21Å; K357-F418 HydrophobicContact CD-CE2 4.24Å; K357-F418 HydrophobicContact CD-CG 4.44Å; K357-F418 HydrophobicContact CD-CZ 3.51Å; K357-F418 HydrophobicContact CG-CE1 4.39Å; K357-F418 VanDerWaalsContact NZ-CD2 3.29Å; K357-F418 VanDerWaalsContact NZ-CZ 3.32Å; Y410-F418 HydrophobicContact CD2-CE2 4.06Å; Y410-F418 HydrophobicContact CE2-CD2 4.41Å; Y410-F418 AromaticContact CE2-CE2 3.43Å; Y410-F418 HydrophobicContact CE2-CE2 3.43Å; Y410-F418 VanDerWaalsContact CE2-CE2 3.43Å; Y410-F418 AromaticContact CE2-CZ 3.84Å; Y410-F418 HydrophobicContact CE2-CZ 3.84Å; H414-F418 AromaticContact CD2-CD2 3.92Å; H414-F418 AromaticContact CE1-CD2 3.92Å; H414-F418 AromaticContact CE1-CE2 3.32Å; H414-F418 WeakPolarHBondContact CE1-CE2 3.45Å; H414-F418 AromaticContact CG-CD2 3.96Å; H414-F418 AromaticContact ND1-CD2 3.68Å; H414-F418 AromaticContact ND1-CE2 3.64Å; H414-F418 WeakPolarHBondContact O-CB 3.24Å; H414-F418 PolarHBondContact O-N 2.81Å; F418-I420 VanDerWaalsContact C-N 3.33Å; F418-I420 PolarHBondContact O-N 2.98Å; F418-I421 PolarHBondContact O-N 3.33Å; F418-L422 HydrophobicContact CD1-CG 4.45Å; F418-L422 WeakPolarHBondContact O-CB 3.35Å; F418-L422 WeakPolarHBondContact O-CG 3.26Å; F418-L422 PolarHBondContact O-N 2.76Å
419	K	93.5	Very high	91.3	Very high	129 Å²	129	59.4 Å²	59.4	56%	0.561	30%	0.296	S	S	*	.	H	α-helix	trans	-57	-47.2	176.3	178.5	178.8	174.4	-177.8	0	111.3	D415 V416 C417 L422 E423	D415-K419 WeakPolarHBondContact O-CB 3.32Å; D415-K419 PolarHBondContact O-N 3.31Å; V416-K419 PolarHBondContact O-N 3.05Å; C417-K419 PolarHBondContact O-N 3.25Å; K419-L422 PolarHBondContact O-N 2.66Å; K419-E423 WeakPolarHBondContact CE-OE1 3.41Å; K419-E423 HydrophobicContact CG-CG 4.44Å; K419-E423 WeakPolarHBondContact CG-OE1 3.41Å; K419-E423 WeakPolarHBondContact O-CB 3.42Å; K419-E423 VanDerWaalsContact O-CG 3.28Å; K419-E423 WeakPolarHBondContact O-CG 3.36Å; K419-E423 PolarHBondContact O-N 2.62Å
420	I	93.6	Very high	90.5	Very high	9 Å²	9	61.1 Å²	61.1	5%	0.046	31%	0.314	C	S	.	.	H	α-helix	trans	-63.9	-43.9	179	-67	173.7	0	0	0	111.6	F409 V416 C417 F418 N424 F435 V482 N486	F409-I420 HydrophobicContact CZ-CD1 4.16Å; V416-I420 HydrophobicContact CG1-CD1 4.23Å; V416-I420 WeakPolarHBondContact O-CG1 3.39Å; V416-I420 PolarHBondContact O-N 2.63Å; C417-I420 PolarHBondContact O-N 2.92Å; F418-I420 VanDerWaalsContact C-N 3.33Å; F418-I420 PolarHBondContact O-N 2.98Å; I420-N424 PolarHBondContact O-N 3.27Å; I420-N424 PolarHBondContact O-ND2 3.28Å; I420-F435 HydrophobicContact CG2-CD2 3.91Å; I420-F435 HydrophobicContact CG2-CE2 3.97Å; I420-V482 HydrophobicContact CD1-CG1 4.12Å; I420-N486 HydrophobicContact CD1-CB 4.46Å; I420-N486 HydrophobicContact CG2-CB 4.06Å
421	I	92.5	Very high	90.2	Very high	4 Å²	4	65.1 Å²	65.1	2%	0.021	33%	0.329	C	S	.	.	H	α-helix	trans	-62.4	-49.1	177.6	-71.1	161.8	0	0	0	110.8	F350 V354 L381 C417 F418 N424 A425 F435	F350-I421 HydrophobicContact CE2-CD1 4.05Å; F350-I421 HydrophobicContact CZ-CD1 4.13Å; V354-I421 HydrophobicContact CG1-CG2 3.86Å; V354-I421 HydrophobicContact CG2-CD1 4.26Å; L381-I421 HydrophobicContact CD2-CD1 4.34Å; L381-I421 HydrophobicContact CD2-CG1 4.11Å; L381-I421 HydrophobicContact CD2-CG2 3.89Å; C417-I421 WeakPolarHBondContact O-CG1 3.23Å; C417-I421 PolarHBondContact O-N 2.86Å; F418-I421 PolarHBondContact O-N 3.33Å; I421-N424 PolarHBondContact O-N 3.37Å; I421-A425 VanDerWaalsContact O-CB 3.29Å; I421-A425 WeakPolarHBondContact O-CB 3.44Å; I421-A425 PolarHBondContact O-N 2.89Å; I421-F435 HydrophobicContact CD1-CD1 4.28Å; I421-F435 HydrophobicContact CD1-CE1 3.85Å; I421-F435 HydrophobicContact CD1-CZ 4.02Å; I421-F435 HydrophobicContact CG1-CD1 3.95Å; I421-F435 HydrophobicContact CG1-CD2 4.12Å; I421-F435 HydrophobicContact CG1-CE1 3.92Å; I421-F435 HydrophobicContact CG1-CE2 4.08Å; I421-F435 HydrophobicContact CG1-CG 4.05Å; I421-F435 HydrophobicContact CG1-CZ 3.98Å
422	L	90.2	Very high	89.9	Confident	55 Å²	55	62.7 Å²	62.7	29%	0.288	32%	0.323	S	S	.	.	H	α-helix	trans	-67.2	-40.5	-177.6	-65.9	175.3	0	0	0	112.1	L358 F418 K419 N424 A425 H426	L358-L422 HydrophobicContact CD2-CD2 3.71Å; F418-L422 HydrophobicContact CD1-CG 4.45Å; F418-L422 WeakPolarHBondContact O-CB 3.35Å; F418-L422 WeakPolarHBondContact O-CG 3.26Å; F418-L422 PolarHBondContact O-N 2.76Å; K419-L422 PolarHBondContact O-N 2.66Å; L422-N424 VanDerWaalsContact C-N 3.29Å; L422-N424 PolarHBondContact O-N 2.91Å; L422-A425 PolarHBondContact O-N 2.79Å; L422-H426 PolarHBondContact O-N 3.48Å; L422-H426 PolarHBondContact O-ND1 3.21Å
423	E	89.9	Confident	89.7	Confident	72 Å²	72	59.7 Å²	59.7	34%	0.336	30%	0.303	S	S	.	.	H	α-helix	trans	-57.8	-40.3	175	-81.1	179.5	-165.8	0	0	112.3	K419 K490	K419-E423 WeakPolarHBondContact CE-OE1 3.41Å; K419-E423 HydrophobicContact CG-CG 4.44Å; K419-E423 WeakPolarHBondContact CG-OE1 3.41Å; K419-E423 WeakPolarHBondContact O-CB 3.42Å; K419-E423 VanDerWaalsContact O-CG 3.28Å; K419-E423 WeakPolarHBondContact O-CG 3.36Å; K419-E423 PolarHBondContact O-N 2.62Å; E423-K490 IonicContact OE2-NZ 3.6Å; E423-K490 PolarHBondContact OE2-NZ 3.45Å
424	N	89.7	Confident	89.5	Confident	6 Å²	6	57.8 Å²	57.8	3%	0.032	30%	0.295	C	S	.	.	H	α-helix	trans	-80.6	-36.1	-179.4	-75.6	-71.8	0	0	0	112.8	I420 I421 L422 H426 R427 E432 C433 N486	I420-N424 PolarHBondContact O-N 3.27Å; I420-N424 PolarHBondContact O-ND2 3.28Å; I421-N424 PolarHBondContact O-N 3.37Å; L422-N424 VanDerWaalsContact C-N 3.29Å; L422-N424 PolarHBondContact O-N 2.91Å; N424-H426 VanDerWaalsContact C-N 3.3Å; N424-H426 PolarHBondContact O-N 3.19Å; N424-R427 PolarHBondContact O-N 2.95Å; N424-E432 WeakPolarHBondContact O-CB 3.38Å; N424-C433 VanDerWaalsContact OD1-CB 3.26Å; N424-C433 WeakPolarHBondContact OD1-CB 3.25Å; N424-C433 PolarHBondContact OD1-N 2.73Å; N424-N486 PolarHBondContact ND2-OD1 3.19Å
425	A	85.8	Confident	89.4	Confident	6 Å²	6	53.9 Å²	53.9	5%	0.05	28%	0.277	C	S	.	.	H	α-helix	trans	-74.3	-16.4	-179.8	0	0	0	0	0	114.6	L358 K380 I421 L422	L358-A425 HydrophobicContact CD1-CB 4.1Å; L358-A425 HydrophobicContact CD2-CB 3.31Å; L358-A425 HydrophobicContact CG-CB 4.36Å; K380-A425 HydrophobicContact CB-CB 4.11Å; K380-A425 HydrophobicContact CD-CB 3.94Å; K380-A425 WeakPolarHBondContact CD-O 3.44Å; K380-A425 PolarHBondContact NZ-O 3.15Å; I421-A425 VanDerWaalsContact O-CB 3.29Å; I421-A425 WeakPolarHBondContact O-CB 3.44Å; I421-A425 PolarHBondContact O-N 2.89Å; L422-A425 PolarHBondContact O-N 2.79Å
426	H	82.8	Confident	89.4	Confident	119 Å²	119	47.8 Å²	47.8	55%	0.551	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.4	-4.7	173.9	-68.8	90.9	0	0	0	113.9	L422 N424	L422-H426 PolarHBondContact O-N 3.48Å; L422-H426 PolarHBondContact O-ND1 3.21Å; N424-H426 VanDerWaalsContact C-N 3.3Å; N424-H426 PolarHBondContact O-N 3.19Å
427	R	83.3	Confident	89.3	Confident	62 Å²	62	45.4 Å²	45.4	23%	0.234	23%	0.229	C	C	.	.			trans	-68.2	144.7	172.3	-92.3	168.3	49	50	55.7	110.8	N424 D429 R431 E432	N424-R427 PolarHBondContact O-N 2.95Å; R427-D429 IonicContact CZ-OD1 2.69Å; R427-D429 IonicContact CZ-OD2 2.68Å; R427-D429 IonicContact NH1-OD1 2.73Å; R427-D429 PolarHBondContact NH1-OD1 2.92Å; R427-D429 IonicContact NH1-OD2 2.73Å; R427-D429 PolarHBondContact NH1-OD2 3.41Å; R427-D429 VanDerWaalsContact NH2-CG 3.34Å; R427-D429 IonicContact NH2-OD1 2.75Å; R427-D429 PolarHBondContact NH2-OD1 2.93Å; R427-D429 IonicContact NH2-OD2 3.54Å; R427-R431 VanDerWaalsContact CZ-O 3.25Å; R427-R431 PolarHBondContact NE-O 2.8Å; R427-R431 VanDerWaalsContact NH2-CB 3.31Å; R427-R431 PolarHBondContact NH2-O 2.81Å; R427-E432 HydrophobicContact CB-CB 4.47Å; R427-E432 IonicContact NH2-OE2 3.93Å
428	T	79.9	Confident	89.4	Confident	140 Å²	140	45.6 Å²	45.6	86%	0.859	23%	0.231	S	C	*	.			trans	-130.3	-4.1	-173.9	52.9	0	0	0	0	114.1	G430	T428-G430 VanDerWaalsContact C-N 3.35Å
429	D	83.3	Confident	89.6	Confident	79 Å²	79	45.3 Å²	45.3	42%	0.422	23%	0.23	S	C	.	.	S	Bend	trans	-88.4	11.1	-179.8	61.1	-47.8	0	0	0	114.3	R427 R431	R427-D429 IonicContact CZ-OD1 2.69Å; R427-D429 IonicContact CZ-OD2 2.68Å; R427-D429 IonicContact NH1-OD1 2.73Å; R427-D429 PolarHBondContact NH1-OD1 2.92Å; R427-D429 IonicContact NH1-OD2 2.73Å; R427-D429 PolarHBondContact NH1-OD2 3.41Å; R427-D429 VanDerWaalsContact NH2-CG 3.34Å; R427-D429 IonicContact NH2-OD1 2.75Å; R427-D429 PolarHBondContact NH2-OD1 2.93Å; R427-D429 IonicContact NH2-OD2 3.54Å; D429-R431 IonicContact OD2-NH1 3.17Å; D429-R431 PolarHBondContact OD2-NH1 2.73Å
430	G	82.1	Confident	89.7	Confident	38 Å²	38	39.7 Å²	39.7	39%	0.392	21%	0.206	S	C	.	.	S	Bend	trans	69	36.4	172.5	0	0	0	0	0	114.5	T428 E432 S495	T428-G430 VanDerWaalsContact C-N 3.35Å; G430-E432 VanDerWaalsContact CA-OE2 3.27Å; G430-E432 WeakPolarHBondContact CA-OE2 3.37Å; G430-E432 PolarHBondContact N-OE2 2.63Å; G430-S495 WeakPolarHBondContact O-CB 3.4Å
431	R	87.4	Confident	89.9	Confident	107 Å²	107	43 Å²	43	40%	0.404	22%	0.221	S	C	.	.			trans	-135.9	22.4	-179.3	-45.4	-175.6	177.5	133.6	-7	113	R427 D429 W489 A494	R427-R431 VanDerWaalsContact CZ-O 3.25Å; R427-R431 PolarHBondContact NE-O 2.8Å; R427-R431 VanDerWaalsContact NH2-CB 3.31Å; R427-R431 PolarHBondContact NH2-O 2.81Å; D429-R431 IonicContact OD2-NH1 3.17Å; D429-R431 PolarHBondContact OD2-NH1 2.73Å; R431-W489 PolarHBondContact O-NE1 2.82Å; R431-A494 WeakPolarHBondContact CB-O 3.44Å
432	E	89.6	Confident	90.1	Very high	85 Å²	85	42.9 Å²	42.9	40%	0.397	22%	0.22	S	C	.	.			trans	-64.3	134.6	-178.7	48.9	-81.6	-168.6	0	0	111	N424 R427 G430 P434 W489	N424-E432 WeakPolarHBondContact O-CB 3.38Å; R427-E432 HydrophobicContact CB-CB 4.47Å; R427-E432 IonicContact NH2-OE2 3.93Å; G430-E432 VanDerWaalsContact CA-OE2 3.27Å; G430-E432 WeakPolarHBondContact CA-OE2 3.37Å; G430-E432 PolarHBondContact N-OE2 2.63Å; E432-P434 WeakPolarHBondContact O-CD 3.36Å; E432-W489 WeakPolarHBondContact O-CZ2 3.33Å
433	C	91.6	Very high	90.5	Very high	5 Å²	5	40.2 Å²	40.2	3%	0.034	21%	0.207	C	C	.	.			trans	-69.2	120.4	175.9	-174.4	0	0	0	0	108.8	N424 F435 W489	N424-C433 VanDerWaalsContact OD1-CB 3.26Å; N424-C433 WeakPolarHBondContact OD1-CB 3.25Å; N424-C433 PolarHBondContact OD1-N 2.73Å; C433-F435 PolarHBondContact O-N 3.37Å; C433-W489 HydrophobicContact CB-CD2 4.07Å; C433-W489 HydrophobicContact CB-CG 3.92Å
434	P	92.2	Very high	90.9	Very high	12 Å²	12	38.3 Å²	38.3	8%	0.078	20%	0.201	C	C	.	.			trans	-73.5	81.5	178.1	30.3	-33.6	0	0	0	109.3	E432 I436 Q437 C438 W489 L497 I500	E432-P434 WeakPolarHBondContact O-CD 3.36Å; P434-I436 PolarHBondContact O-N 2.95Å; P434-I436 VanDerWaalsContact O-N 3.15Å; P434-Q437 PolarHBondContact O-N 3.4Å; P434-Q437 VanDerWaalsContact O-N 3.16Å; P434-C438 WeakPolarHBondContact O-CB 3.42Å; P434-C438 PolarHBondContact O-N 2.9Å; P434-W489 HydrophobicContact CG-CH2 3.94Å; P434-W489 HydrophobicContact CG-CZ3 4.27Å; P434-L497 HydrophobicContact CB-CD2 3.8Å; P434-L497 HydrophobicContact CG-CD2 3.95Å; P434-I500 HydrophobicContact CG-CD1 3.71Å; P434-I500 HydrophobicContact CG-CG1 3.99Å
435	F	93.3	Very high	91.2	Very high	7 Å²	7	38.7 Å²	38.7	3%	0.031	20%	0.204	C	C	.	.	H	α-helix	trans	-45.9	-51.4	-164.4	179	-101.3	0	0	0	113.9	F350 L381 F409 I420 I421 C433 C438 C439 V482	F350-F435 HydrophobicContact CZ-CE1 4.4Å; L381-F435 HydrophobicContact CD2-CD1 4.11Å; L381-F435 PolarHBondContact O-N 2.83Å; F409-F435 HydrophobicContact CD1-CZ 4.26Å; F409-F435 HydrophobicContact CE1-CE2 4.32Å; F409-F435 HydrophobicContact CE1-CZ 4.24Å; I420-F435 HydrophobicContact CG2-CD2 3.91Å; I420-F435 HydrophobicContact CG2-CE2 3.97Å; I421-F435 HydrophobicContact CD1-CD1 4.28Å; I421-F435 HydrophobicContact CD1-CE1 3.85Å; I421-F435 HydrophobicContact CD1-CZ 4.02Å; I421-F435 HydrophobicContact CG1-CD1 3.95Å; I421-F435 HydrophobicContact CG1-CD2 4.12Å; I421-F435 HydrophobicContact CG1-CE1 3.92Å; I421-F435 HydrophobicContact CG1-CE2 4.08Å; I421-F435 HydrophobicContact CG1-CG 4.05Å; I421-F435 HydrophobicContact CG1-CZ 3.98Å; C433-F435 PolarHBondContact O-N 3.37Å; F435-C438 PolarHBondContact O-N 3.25Å; F435-C439 WeakPolarHBondContact O-CB 3.3Å; F435-C439 PolarHBondContact O-N 3.04Å; F435-C439 PolarHBondContact O-SG 2.83Å; F435-V482 HydrophobicContact CE2-CG1 3.94Å
436	I	93.6	Very high	91.8	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-68	-46.8	-175.7	-60.8	-69.2	0	0	0	112	F350 L381 F383 F393 I406 P434 C438 C439 I440	F350-I436 HydrophobicContact CE1-CD1 4.09Å; F350-I436 HydrophobicContact CZ-CD1 4.42Å; L381-I436 HydrophobicContact CB-CG1 4.03Å; L381-I436 PolarHBondContact O-N 3.48Å; F383-I436 HydrophobicContact CD1-CB 4.1Å; F383-I436 HydrophobicContact CD1-CG1 4.14Å; F383-I436 HydrophobicContact CD1-CG2 3.77Å; F383-I436 HydrophobicContact CE1-CB 4.01Å; F383-I436 HydrophobicContact CE1-CD1 4.2Å; F383-I436 HydrophobicContact CE1-CG1 3.66Å; F383-I436 HydrophobicContact CE1-CG2 3.63Å; F383-I436 HydrophobicContact CE2-CG1 4.22Å; F383-I436 HydrophobicContact CZ-CD1 4.13Å; F383-I436 HydrophobicContact CZ-CG1 3.71Å; F393-I436 HydrophobicContact CZ-CG2 4.12Å; I406-I436 HydrophobicContact CD1-CD1 4.12Å; I406-I436 HydrophobicContact CD1-CG2 4.49Å; I406-I436 HydrophobicContact CG2-CD1 4.46Å; P434-I436 PolarHBondContact O-N 2.95Å; P434-I436 VanDerWaalsContact O-N 3.15Å; I436-C438 VanDerWaalsContact C-N 3.3Å; I436-C438 PolarHBondContact O-N 3.46Å; I436-C439 WeakPolarHBondContact O-CB 3.44Å; I436-C439 PolarHBondContact O-N 3.4Å; I436-C439 VanDerWaalsContact O-N 3.13Å; I436-I440 HydrophobicContact CG2-CD1 3.84Å; I436-I440 HydrophobicContact CG2-CG1 4.44Å; I436-I440 WeakPolarHBondContact O-CG1 3.46Å; I436-I440 PolarHBondContact O-N 3.3Å
437	Q	94.1	Very high	92.5	Very high	10 Å²	10	33.7 Å²	33.7	5%	0.047	18%	0.18	C	C	.	.	H	α-helix	trans	-65.1	-36.7	179.1	-69.2	-78	-67.3	0	0	111.1	G382 R384 D392 P434 I440 E441 L497 I500	G382-Q437 WeakPolarHBondContact O-CG 3.43Å; R384-Q437 HydrophobicContact CB-CG 4.4Å; D392-Q437 PolarHBondContact OD2-NE2 2.88Å; P434-Q437 PolarHBondContact O-N 3.4Å; P434-Q437 VanDerWaalsContact O-N 3.16Å; Q437-I440 PolarHBondContact O-N 2.92Å; Q437-E441 WeakPolarHBondContact O-CG 3.22Å; Q437-E441 PolarHBondContact O-N 3.34Å; Q437-L497 HydrophobicContact CB-CD2 4.5Å; Q437-L497 HydrophobicContact CG-CD2 4.38Å; Q437-I500 HydrophobicContact CB-CD1 3.84Å
438	C	95.8	Very high	93.1	Very high	4 Å²	4	34.7 Å²	34.7	3%	0.027	19%	0.19	C	C	.	.	H	α-helix	trans	-63.4	-40.9	170.9	-75.2	0	0	0	0	112.7	P434 F435 I436 L442 V485 M504	P434-C438 WeakPolarHBondContact O-CB 3.42Å; P434-C438 PolarHBondContact O-N 2.9Å; F435-C438 PolarHBondContact O-N 3.25Å; I436-C438 VanDerWaalsContact C-N 3.3Å; I436-C438 PolarHBondContact O-N 3.46Å; C438-L442 WeakPolarHBondContact O-CB 3.36Å; C438-L442 PolarHBondContact O-N 2.87Å; C438-V485 HydrophobicContact CB-CG1 4.02Å; C438-M504 HydrophobicContact CB-CE 3.95Å; C438-M504 WeakPolarHBondContact O-CE 3.31Å
439	C	96.9	Very high	93.8	Very high	2 Å²	2	28.4 Å²	28.4	1%	0.014	15%	0.152	C	C	.	.	H	α-helix	trans	-64.8	-41.4	175.2	-73.9	0	0	0	0	112.3	I406 F435 I436 L442 V443 F478	I406-C439 HydrophobicContact CD1-CB 3.7Å; I406-C439 HydrophobicContact CG1-CB 3.72Å; F435-C439 WeakPolarHBondContact O-CB 3.3Å; F435-C439 PolarHBondContact O-N 3.04Å; F435-C439 PolarHBondContact O-SG 2.83Å; I436-C439 WeakPolarHBondContact O-CB 3.44Å; I436-C439 PolarHBondContact O-N 3.4Å; I436-C439 VanDerWaalsContact O-N 3.13Å; C439-L442 PolarHBondContact O-N 2.88Å; C439-V443 WeakPolarHBondContact O-CG2 3.4Å; C439-V443 PolarHBondContact O-N 3.48Å; C439-F478 HydrophobicContact CB-CE2 4.14Å; C439-F478 HydrophobicContact CB-CZ 3.86Å
440	I	96.6	Very high	94.3	Very high	11 Å²	11	24.9 Å²	24.9	6%	0.056	13%	0.133	C	C	.	.	H	α-helix	trans	-62.6	-53	176.7	-67.5	166	0	0	0	110.3	D392 F393 P398 A402 I436 Q437 L442 V443 S444	D392-I440 HydrophobicContact CB-CD1 3.96Å; F393-I440 HydrophobicContact CD1-CD1 4.11Å; F393-I440 HydrophobicContact CD1-CG1 4.13Å; F393-I440 HydrophobicContact CE1-CD1 3.9Å; F393-I440 HydrophobicContact CE1-CG1 3.8Å; F393-I440 HydrophobicContact CZ-CD1 4.31Å; P398-I440 HydrophobicContact CG-CG2 3.84Å; A402-I440 HydrophobicContact CB-CB 4.5Å; A402-I440 HydrophobicContact CB-CG1 4.1Å; I436-I440 HydrophobicContact CG2-CD1 3.84Å; I436-I440 HydrophobicContact CG2-CG1 4.44Å; I436-I440 WeakPolarHBondContact O-CG1 3.46Å; I436-I440 PolarHBondContact O-N 3.3Å; Q437-I440 PolarHBondContact O-N 2.92Å; I440-L442 VanDerWaalsContact C-N 3.31Å; I440-L442 PolarHBondContact O-N 3.29Å; I440-V443 PolarHBondContact O-N 3.46Å; I440-V443 VanDerWaalsContact O-N 3.15Å; I440-S444 PolarHBondContact O-N 3.23Å
441	E	96.6	Very high	94.9	Very high	79 Å²	79	27.5 Å²	27.5	37%	0.369	14%	0.135	S	C	.	.	H	α-helix	trans	-66.1	-31.7	-179.9	-67.3	-66	173	0	0	112.8	Q437 V443 S444 V445 I500 M504	Q437-E441 WeakPolarHBondContact O-CG 3.22Å; Q437-E441 PolarHBondContact O-N 3.34Å; E441-V443 VanDerWaalsContact C-N 3.32Å; E441-V443 PolarHBondContact O-N 2.98Å; E441-S444 WeakPolarHBondContact O-CB 3.32Å; E441-S444 PolarHBondContact O-N 3.44Å; E441-V445 WeakPolarHBondContact O-CG2 3.41Å; E441-V445 PolarHBondContact O-N 3.41Å; E441-I500 HydrophobicContact CB-CG2 4.04Å; E441-I500 HydrophobicContact CG-CG2 3.91Å; E441-M504 HydrophobicContact CB-CE 4.2Å; E441-M504 HydrophobicContact CB-CG 4.03Å; E441-M504 HydrophobicContact CB-SD 4.48Å
442	L	98.2	Very high	95.3	Very high	1 Å²	1	23.2 Å²	23.2	1%	0.005	12%	0.12	C	C	.	.	H	α-helix	trans	-61.6	-39.5	172.9	173.5	62	0	0	0	111.9	C438 C439 I440 S444 V445 L446 F478 C481 V482 V485 M504 V507 I511	C438-L442 WeakPolarHBondContact O-CB 3.36Å; C438-L442 PolarHBondContact O-N 2.87Å; C439-L442 PolarHBondContact O-N 2.88Å; I440-L442 VanDerWaalsContact C-N 3.31Å; I440-L442 PolarHBondContact O-N 3.29Å; L442-S444 VanDerWaalsContact C-N 3.31Å; L442-S444 PolarHBondContact O-N 3.14Å; L442-V445 WeakPolarHBondContact O-CB 3.37Å; L442-V445 PolarHBondContact O-N 3.16Å; L442-L446 HydrophobicContact CD1-CD1 4.23Å; L442-L446 HydrophobicContact CD1-CG 4.08Å; L442-L446 HydrophobicContact CG-CD1 4.07Å; L442-L446 HydrophobicContact CG-CG 4.37Å; L442-L446 WeakPolarHBondContact O-CG 3.35Å; L442-L446 PolarHBondContact O-N 3.13Å; L442-F478 HydrophobicContact CD2-CD2 3.78Å; L442-F478 HydrophobicContact CD2-CE2 3.91Å; L442-F478 HydrophobicContact CG-CD2 4.17Å; L442-F478 HydrophobicContact CG-CE2 4.38Å; L442-C481 HydrophobicContact CD1-CB 3.77Å; L442-C481 HydrophobicContact CD2-CB 3.77Å; L442-C481 HydrophobicContact CG-CB 4.31Å; L442-V482 HydrophobicContact CD2-CB 4.39Å; L442-V482 HydrophobicContact CD2-CG2 3.61Å; L442-V485 HydrophobicContact CB-CG2 4.47Å; L442-V485 HydrophobicContact CD1-CG2 4.09Å; L442-V485 HydrophobicContact CD2-CG2 4.11Å; L442-V485 HydrophobicContact CG-CG2 4.45Å; L442-M504 HydrophobicContact CB-CE 4.14Å; L442-M504 HydrophobicContact CB-SD 4.29Å; L442-V507 HydrophobicContact CD1-CG1 4.2Å; L442-I511 HydrophobicContact CD1-CD1 4.24Å
443	V	98.2	Very high	95.3	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-65.5	-37.8	176.5	177.3	0	0	0	0	110.6	P398 L401 A402 C405 C439 I440 E441 L446 L447 F474 F478	P398-V443 HydrophobicContact CB-CB 3.95Å; P398-V443 HydrophobicContact CB-CG1 3.5Å; P398-V443 VanDerWaalsContact CB-CG1 3.5Å; P398-V443 HydrophobicContact CG-CB 4.2Å; P398-V443 HydrophobicContact CG-CG1 4.27Å; L401-V443 HydrophobicContact CB-CG1 4.39Å; L401-V443 HydrophobicContact CD2-CG1 3.77Å; L401-V443 HydrophobicContact CG-CG1 3.87Å; A402-V443 HydrophobicContact CB-CB 4.24Å; A402-V443 HydrophobicContact CB-CG2 4.13Å; C405-V443 HydrophobicContact CB-CG2 4.26Å; C439-V443 WeakPolarHBondContact O-CG2 3.4Å; C439-V443 PolarHBondContact O-N 3.48Å; I440-V443 PolarHBondContact O-N 3.46Å; I440-V443 VanDerWaalsContact O-N 3.15Å; E441-V443 VanDerWaalsContact C-N 3.32Å; E441-V443 PolarHBondContact O-N 2.98Å; V443-L446 PolarHBondContact O-N 3.15Å; V443-L447 HydrophobicContact CG1-CD1 4.32Å; V443-L447 HydrophobicContact CG1-CG 4.49Å; V443-L447 VanDerWaalsContact O-CG 3.25Å; V443-L447 WeakPolarHBondContact O-CG 3.33Å; V443-L447 PolarHBondContact O-N 3.31Å; V443-F474 HydrophobicContact CG1-CE1 4.18Å; V443-F474 HydrophobicContact CG1-CZ 4.1Å; V443-F478 HydrophobicContact CG2-CD2 3.65Å; V443-F478 HydrophobicContact CG2-CE2 3.67Å
444	S	97.2	Very high	95.3	Very high	31 Å²	31	25.2 Å²	25.2	22%	0.217	14%	0.136	C	C	.	.	H	α-helix	trans	-59.4	-44.2	170.4	-57.9	0	0	0	0	112.4	I440 E441 L442 L446 L447 D448	I440-S444 PolarHBondContact O-N 3.23Å; E441-S444 WeakPolarHBondContact O-CB 3.32Å; E441-S444 PolarHBondContact O-N 3.44Å; L442-S444 VanDerWaalsContact C-N 3.31Å; L442-S444 PolarHBondContact O-N 3.14Å; S444-L446 PolarHBondContact O-N 3.02Å; S444-L447 PolarHBondContact O-N 3.25Å; S444-D448 PolarHBondContact O-N 3.49Å
445	V	97.5	Very high	95.1	Very high	15 Å²	15	31.6 Å²	31.6	9%	0.091	17%	0.169	C	C	.	.	H	α-helix	trans	-61.8	-41	175.2	168.7	0	0	0	0	112	E441 L442 D448 A449 M504 K508 I511	E441-V445 WeakPolarHBondContact O-CG2 3.41Å; E441-V445 PolarHBondContact O-N 3.41Å; L442-V445 WeakPolarHBondContact O-CB 3.37Å; L442-V445 PolarHBondContact O-N 3.16Å; V445-D448 PolarHBondContact O-N 3.49Å; V445-A449 VanDerWaalsContact O-CB 3.24Å; V445-A449 WeakPolarHBondContact O-CB 3.42Å; V445-A449 PolarHBondContact O-N 3.05Å; V445-M504 HydrophobicContact CG2-CB 3.9Å; V445-M504 HydrophobicContact CG2-CG 4.38Å; V445-M504 HydrophobicContact CG2-SD 4.21Å; V445-K508 HydrophobicContact CG1-CB 3.67Å; V445-K508 HydrophobicContact CG1-CG 3.99Å; V445-I511 HydrophobicContact CG1-CD1 4.37Å
446	L	97.9	Very high	94.9	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-70.6	-35.9	179.2	-70.5	172.8	0	0	0	112.7	L442 V443 S444 D448 L450 F474 L477 F478 I511	L442-L446 HydrophobicContact CD1-CD1 4.23Å; L442-L446 HydrophobicContact CD1-CG 4.08Å; L442-L446 HydrophobicContact CG-CD1 4.07Å; L442-L446 HydrophobicContact CG-CG 4.37Å; L442-L446 WeakPolarHBondContact O-CG 3.35Å; L442-L446 PolarHBondContact O-N 3.13Å; V443-L446 PolarHBondContact O-N 3.15Å; S444-L446 PolarHBondContact O-N 3.02Å; L446-D448 VanDerWaalsContact C-N 3.34Å; L446-L450 VanDerWaalsContact O-CB 3.31Å; L446-L450 WeakPolarHBondContact O-CB 3.39Å; L446-L450 WeakPolarHBondContact O-CG 3.33Å; L446-L450 PolarHBondContact O-N 2.89Å; L446-L450 VanDerWaalsContact O-N 3.13Å; L446-F474 HydrophobicContact CB-CE2 3.77Å; L446-F474 HydrophobicContact CB-CZ 3.82Å; L446-F474 HydrophobicContact CD1-CZ 4.37Å; L446-L477 HydrophobicContact CD2-CD2 3.83Å; L446-L477 HydrophobicContact CD2-CG 3.99Å; L446-F478 HydrophobicContact CD1-CB 3.95Å; L446-F478 HydrophobicContact CD1-CD2 4.24Å; L446-I511 HydrophobicContact CD2-CD1 4.01Å
447	L	97.2	Very high	94.6	Very high	19 Å²	19	35.8 Å²	35.8	10%	0.099	20%	0.198	C	C	.	.	H	α-helix	trans	-60.2	-45.3	172.6	-71.4	165.6	0	0	0	110.9	A333 P397 P398 L401 V443 S444 H451 I452	A333-L447 HydrophobicContact CB-CD1 3.8Å; A333-L447 HydrophobicContact CB-CD2 3.88Å; P397-L447 HydrophobicContact CB-CD1 3.98Å; P398-L447 HydrophobicContact CB-CD1 4.09Å; L401-L447 HydrophobicContact CD2-CD2 3.96Å; L401-L447 HydrophobicContact CD2-CG 4.5Å; V443-L447 HydrophobicContact CG1-CD1 4.32Å; V443-L447 HydrophobicContact CG1-CG 4.49Å; V443-L447 VanDerWaalsContact O-CG 3.25Å; V443-L447 WeakPolarHBondContact O-CG 3.33Å; V443-L447 PolarHBondContact O-N 3.31Å; S444-L447 PolarHBondContact O-N 3.25Å; L447-H451 PolarHBondContact O-N 2.89Å; L447-I452 HydrophobicContact CB-CB 4.43Å; L447-I452 HydrophobicContact CD2-CB 3.69Å; L447-I452 HydrophobicContact CD2-CD1 4.06Å; L447-I452 HydrophobicContact CD2-CG1 4.34Å; L447-I452 HydrophobicContact CD2-CG2 3.6Å; L447-I452 PolarHBondContact O-N 2.87Å
448	D	95.4	Very high	93.9	Very high	83 Å²	83	41.9 Å²	41.9	44%	0.444	23%	0.227	S	C	.	.	H	α-helix	trans	-68.7	-51.8	178.6	-179.3	-15	0	0	0	111.7	S444 V445 L446 L450 H451 K508	S444-D448 PolarHBondContact O-N 3.49Å; V445-D448 PolarHBondContact O-N 3.49Å; L446-D448 VanDerWaalsContact C-N 3.34Å; D448-L450 PolarHBondContact O-N 3.47Å; D448-L450 VanDerWaalsContact O-N 3.14Å; D448-H451 PolarHBondContact O-N 2.97Å; D448-K508 WeakPolarHBondContact OD1-CE 3.4Å; D448-K508 IonicContact OD1-NZ 3.25Å; D448-K508 PolarHBondContact OD1-NZ 2.93Å; D448-K508 IonicContact OD2-NZ 2.7Å; D448-K508 PolarHBondContact OD2-NZ 3.47Å
449	A	94.8	Very high	93	Very high	9 Å²	9	44.7 Å²	44.7	7%	0.074	24%	0.239	C	C	.	.	H	α-helix	trans	-64.3	-19.7	-178.8	0	0	0	0	0	114.8	V445 I511	V445-A449 VanDerWaalsContact O-CB 3.24Å; V445-A449 WeakPolarHBondContact O-CB 3.42Å; V445-A449 PolarHBondContact O-N 3.05Å; A449-I511 HydrophobicContact CB-CG2 4.39Å
450	L	95	Very high	92.4	Very high	4 Å²	4	45.1 Å²	45.1	2%	0.021	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.8	10.1	175.4	-64.9	178.5	0	0	0	113.3	L326 L446 D448 I452 Y464 F474 L477 L515	L326-L450 HydrophobicContact CD1-CB 4.24Å; L326-L450 HydrophobicContact CD2-CD1 4.09Å; L446-L450 VanDerWaalsContact O-CB 3.31Å; L446-L450 WeakPolarHBondContact O-CB 3.39Å; L446-L450 WeakPolarHBondContact O-CG 3.33Å; L446-L450 PolarHBondContact O-N 2.89Å; L446-L450 VanDerWaalsContact O-N 3.13Å; D448-L450 PolarHBondContact O-N 3.47Å; D448-L450 VanDerWaalsContact O-N 3.14Å; L450-I452 HydrophobicContact CB-CD1 4.03Å; L450-I452 HydrophobicContact CB-CG1 3.78Å; L450-I452 HydrophobicContact CD1-CD1 4.26Å; L450-I452 PolarHBondContact O-N 3.34Å; L450-Y464 HydrophobicContact CD2-CD2 4.37Å; L450-Y464 HydrophobicContact CD2-CE2 4.12Å; L450-F474 HydrophobicContact CD1-CD2 4.1Å; L450-F474 HydrophobicContact CD1-CE2 4.29Å; L450-L477 HydrophobicContact CD1-CD2 3.68Å; L450-L477 HydrophobicContact CG-CD2 4.48Å; L450-L515 HydrophobicContact CD2-CD1 3.92Å
451	H	93.8	Very high	92.1	Very high	93 Å²	93	49.2 Å²	49.2	43%	0.431	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.3	35.4	178.4	-61.9	-75.2	0	0	0	114.1	Q323 L447 D448 G453 E454	Q323-H451 PolarHBondContact NE2-O 2.92Å; L447-H451 PolarHBondContact O-N 2.89Å; D448-H451 PolarHBondContact O-N 2.97Å; H451-G453 PolarHBondContact O-N 2.86Å; H451-E454 HydrophobicContact CB-CB 4.27Å; H451-E454 HydrophobicContact CB-CG 4.18Å; H451-E454 IonicContact CE1-OE1 3.96Å; H451-E454 IonicContact CG-OE1 3.69Å; H451-E454 IonicContact ND1-OE1 3.9Å; H451-E454 PolarHBondContact ND1-OE1 3.45Å; H451-E454 IonicContact ND1-OE2 3.95Å; H451-E454 WeakPolarHBondContact O-CB 3.35Å; H451-E454 PolarHBondContact O-N 2.94Å
452	I	95.3	Very high	91.9	Very high	17 Å²	17	48.6 Å²	48.6	9%	0.087	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	121.8	-172.3	-57.4	-168.6	0	0	0	110.7	L326 E330 L447 L450 F474	L326-I452 HydrophobicContact CB-CD1 4.36Å; L326-I452 HydrophobicContact CB-CG1 4.21Å; L326-I452 HydrophobicContact CD2-CD1 4.2Å; L326-I452 WeakPolarHBondContact O-CG2 3.22Å; E330-I452 HydrophobicContact CB-CG2 4.16Å; L447-I452 HydrophobicContact CB-CB 4.43Å; L447-I452 HydrophobicContact CD2-CB 3.69Å; L447-I452 HydrophobicContact CD2-CD1 4.06Å; L447-I452 HydrophobicContact CD2-CG1 4.34Å; L447-I452 HydrophobicContact CD2-CG2 3.6Å; L447-I452 PolarHBondContact O-N 2.87Å; L450-I452 HydrophobicContact CB-CD1 4.03Å; L450-I452 HydrophobicContact CB-CG1 3.78Å; L450-I452 HydrophobicContact CD1-CD1 4.26Å; L450-I452 PolarHBondContact O-N 3.34Å; I452-F474 HydrophobicContact CD1-CD2 3.78Å; I452-F474 HydrophobicContact CD1-CE2 3.53Å
453	G	90.6	Very high	91.7	Very high	27 Å²	27	50 Å²	50	28%	0.278	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	99.4	-5.2	-172.2	0	0	0	0	0	113.9	N327 E330 H451	N327-G453 PolarHBondContact OD1-N 3.34Å; E330-G453 WeakPolarHBondContact OE1-CA 3.39Å; H451-G453 PolarHBondContact O-N 2.86Å
454	E	90.8	Very high	91.5	Very high	106 Å²	106	51.7 Å²	51.7	50%	0.495	28%	0.277	S	S	.	.	P	Polyproline II helix	trans	-82.8	150.2	172.2	-61.1	-172.3	-142.7	0	0	111.8	N327 H451	N327-E454 PolarHBondContact ND2-O 3.26Å; H451-E454 HydrophobicContact CB-CB 4.27Å; H451-E454 HydrophobicContact CB-CG 4.18Å; H451-E454 IonicContact CE1-OE1 3.96Å; H451-E454 IonicContact CG-OE1 3.69Å; H451-E454 IonicContact ND1-OE1 3.9Å; H451-E454 PolarHBondContact ND1-OE1 3.45Å; H451-E454 IonicContact ND1-OE2 3.95Å; H451-E454 WeakPolarHBondContact O-CB 3.35Å; H451-E454 PolarHBondContact O-N 2.94Å
455	L	89.1	Confident	91.3	Very high	146 Å²	146	52.2 Å²	52.2	76%	0.764	28%	0.276	S	S	*	.	P	Polyproline II helix	trans	-74.5	144.5	174.9	-69.3	174.5	0	0	0	110.4	S457	L455-S457 PolarHBondContact O-N 3.3Å
456	P	89.3	Confident	91.2	Very high	32 Å²	32	51.5 Å²	51.5	21%	0.208	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-54.6	138.1	175.5	-22.3	30.6	0	0	0	112.6	V320 Q323 L324 E458	V320-P456 HydrophobicContact CB-CB 4.24Å; V320-P456 HydrophobicContact CG1-CB 4.05Å; V320-P456 HydrophobicContact CG1-CG 4.12Å; V320-P456 HydrophobicContact CG2-CB 3.95Å; Q323-P456 HydrophobicContact CB-CB 4.24Å; Q323-P456 HydrophobicContact CB-CG 4.02Å; Q323-P456 HydrophobicContact CG-CB 4.36Å; Q323-P456 HydrophobicContact CG-CG 4.04Å; L324-P456 HydrophobicContact CD2-CG 4.09Å; L324-P456 HydrophobicContact CG-CG 4.13Å; P456-E458 PolarHBondContact O-N 2.98Å
457	S	86	Confident	91	Very high	62 Å²	62	51.9 Å²	51.9	43%	0.434	27%	0.274	S	S	.	.	P	Polyproline II helix	trans	-74.8	127.5	177.5	176.5	0	0	0	0	110.7	H316 H319 L455 Q459 G460	H316-S457 PolarHBondContact CE1-O 3.49Å; H316-S457 VanDerWaalsContact CE1-O 3.27Å; H319-S457 PolarHBondContact NE2-N 3.26Å; L455-S457 PolarHBondContact O-N 3.3Å; S457-Q459 PolarHBondContact O-N 2.81Å; S457-Q459 PolarHBondContact OG-N 3.06Å; S457-G460 PolarHBondContact O-N 2.96Å; S457-G460 PolarHBondContact OG-N 3.48Å
458	E	79.5	Confident	90.8	Very high	139 Å²	139	51.1 Å²	51.1	65%	0.65	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-15.9	178	-60.1	-174	139.5	0	0	114.1	H316 P456	H316-E458 PolarHBondContact CE1-O 3.46Å; P456-E458 PolarHBondContact O-N 2.98Å
459	Q	77.3	Confident	90.7	Very high	62 Å²	62	48.8 Å²	48.8	29%	0.29	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.4	-1.8	177.6	-61	-179.6	54.4	0	0	112.6	S457 Q461 A604	S457-Q459 PolarHBondContact O-N 2.81Å; S457-Q459 PolarHBondContact OG-N 3.06Å; Q459-Q461 PolarHBondContact O-N 2.77Å; Q459-A604 HydrophobicContact CG-CB 3.6Å; Q459-A604 VanDerWaalsContact NE2-CB 3.34Å
460	G	84.5	Confident	90.5	Very high	12 Å²	12	51.7 Å²	51.7	12%	0.124	27%	0.27	C	S	.	.			trans	-64.6	132.9	-176.4	0	0	0	0	0	111.1	H316 H319 S457	H316-G460 WeakPolarHBondContact CA-O 3.42Å; H316-G460 PolarHBondContact ND1-O 3.31Å; H319-G460 WeakPolarHBondContact CB-O 3.33Å; H319-G460 PolarHBondContact CD2-O 2.97Å; S457-G460 PolarHBondContact O-N 2.96Å; S457-G460 PolarHBondContact OG-N 3.48Å
461	Q	90	Very high	90.4	Very high	97 Å²	97	56 Å²	56	45%	0.453	29%	0.291	S	S	.	.			trans	-128.1	5.2	177.4	-65.6	173.1	22.1	0	0	111.8	A315 H316 Q459	A315-Q461 HydrophobicContact CB-CB 4.12Å; A315-Q461 HydrophobicContact CB-CG 4.45Å; H316-Q461 HydrophobicContact CB-CG 4.36Å; Q459-Q461 PolarHBondContact O-N 2.77Å
462	V	91.7	Very high	90.5	Very high	65 Å²	65	55.7 Å²	55.7	39%	0.394	29%	0.289	S	S	.	.			trans	-90	121.1	179.8	-178.5	0	0	0	0	108.8	H319 Y464	H319-V462 PolarHBondContact ND1-O 3.38Å; V462-Y464 HydrophobicContact CG1-CE1 4.3Å
463	Y	94.1	Very high	90.4	Very high	30 Å²	30	55 Å²	55	12%	0.118	29%	0.286	C	S	.	.			trans	-138.9	160	173	64.8	-90.3	0	0	0	109.3	L306 V310 A315 L318 E465 F468	L306-Y463 HydrophobicContact CD2-CD2 4.44Å; L306-Y463 HydrophobicContact CD2-CE2 3.77Å; V310-Y463 HydrophobicContact CG1-CE1 4.35Å; A315-Y463 HydrophobicContact CB-CD1 4.48Å; A315-Y463 HydrophobicContact CB-CE1 3.95Å; L318-Y463 HydrophobicContact CB-CD1 3.87Å; L318-Y463 HydrophobicContact CB-CD2 4.41Å; L318-Y463 HydrophobicContact CB-CE1 4.28Å; L318-Y463 HydrophobicContact CB-CG 3.96Å; L318-Y463 HydrophobicContact CD1-CD1 4.36Å; L318-Y463 HydrophobicContact CD1-CD2 4.48Å; L318-Y463 HydrophobicContact CD1-CE1 3.95Å; L318-Y463 HydrophobicContact CD1-CE2 4.09Å; Y463-E465 HydrophobicContact CD2-CG 4.44Å; Y463-E465 HydrophobicContact CE2-CG 3.86Å; Y463-F468 HydrophobicContact CD2-CE2 4.47Å
464	Y	94	Very high	90.7	Very high	37 Å²	37	53.7 Å²	53.7	15%	0.145	27%	0.272	C	S	.	.			trans	-115.8	107.8	-178.1	-51.9	-61	0	0	0	108.7	L450 V462 L466 L467 L515	L450-Y464 HydrophobicContact CD2-CD2 4.37Å; L450-Y464 HydrophobicContact CD2-CE2 4.12Å; V462-Y464 HydrophobicContact CG1-CE1 4.3Å; Y464-L466 PolarHBondContact O-N 3.4Å; Y464-L466 VanDerWaalsContact O-N 3.13Å; Y464-L467 HydrophobicContact CD2-CD1 3.91Å; Y464-L467 PolarHBondContact O-N 2.99Å; Y464-L515 HydrophobicContact CD1-CB 4.4Å; Y464-L515 HydrophobicContact CD1-CD2 4.21Å; Y464-L515 HydrophobicContact CD2-CD2 4.45Å; Y464-L515 HydrophobicContact CE1-CB 3.83Å; Y464-L515 HydrophobicContact CE1-CD2 4.39Å; Y464-L515 WeakPolarHBondContact CE1-O 3.41Å; Y464-L515 HydrophobicContact CG-CD2 4.25Å
465	E	94.3	Very high	91	Very high	42 Å²	42	49.4 Å²	49.4	20%	0.196	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-53.1	-35.9	-177.4	-71.3	175.5	-143.9	0	0	112.5	L306 Y463 L467 F468 R520	L306-E465 HydrophobicContact CD1-CG 4.45Å; L306-E465 HydrophobicContact CD2-CG 4.4Å; Y463-E465 HydrophobicContact CD2-CG 4.44Å; Y463-E465 HydrophobicContact CE2-CG 3.86Å; E465-L467 PolarHBondContact O-N 3.41Å; E465-L467 VanDerWaalsContact O-N 3.15Å; E465-F468 PolarHBondContact O-N 3.14Å; E465-R520 IonicContact OE1-NE 3.78Å; E465-R520 WeakPolarHBondContact OE2-CD 3.21Å; E465-R520 VanDerWaalsContact OE2-CG 3.27Å; E465-R520 WeakPolarHBondContact OE2-CG 3.44Å; E465-R520 IonicContact OE2-NE 3.46Å; E465-R520 PolarHBondContact OE2-NE 2.95Å
466	L	94	Very high	91.4	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-55.6	-30.6	178	75.2	96	0	0	0	114.1	Y464 F468 T469 L515 P519 R520 F522 L525	Y464-L466 PolarHBondContact O-N 3.4Å; Y464-L466 VanDerWaalsContact O-N 3.13Å; L466-F468 PolarHBondContact O-N 2.97Å; L466-T469 PolarHBondContact O-N 2.92Å; L466-T469 VanDerWaalsContact O-N 3.08Å; L466-T469 PolarHBondContact O-OG1 3.04Å; L466-L515 HydrophobicContact CD2-CD2 4.07Å; L466-P519 HydrophobicContact CD2-CB 4.29Å; L466-P519 HydrophobicContact CD2-CG 3.77Å; L466-R520 PolarHBondContact N-O 2.9Å; L466-F522 HydrophobicContact CD1-CD1 4.24Å; L466-F522 HydrophobicContact CD1-CE1 3.63Å; L466-F522 HydrophobicContact CD1-CE2 4.01Å; L466-F522 HydrophobicContact CD1-CZ 3.49Å; L466-F522 VanDerWaalsContact CD1-CZ 3.49Å; L466-F522 WeakPolarHBondContact O-CE2 3.31Å; L466-L525 HydrophobicContact CD2-CB 4.45Å; L466-L525 HydrophobicContact CD2-CD2 4.29Å
467	L	94.3	Very high	91.8	Very high	8 Å²	8	41.6 Å²	41.6	4%	0.042	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-71	-13.8	-179.4	-66.3	176.3	0	0	0	112.5	Q322 L326 Y464 E465 P473	Q322-L467 HydrophobicContact CG-CD1 3.78Å; L326-L467 HydrophobicContact CD1-CD1 4.07Å; L326-L467 HydrophobicContact CD2-CD1 4.19Å; L326-L467 HydrophobicContact CG-CD1 4.42Å; Y464-L467 HydrophobicContact CD2-CD1 3.91Å; Y464-L467 PolarHBondContact O-N 2.99Å; E465-L467 PolarHBondContact O-N 3.41Å; E465-L467 VanDerWaalsContact O-N 3.15Å; L467-P473 HydrophobicContact CB-CB 4.49Å; L467-P473 HydrophobicContact CD2-CB 4.05Å; L467-P473 WeakPolarHBondContact O-CB 3.33Å; L467-P473 WeakPolarHBondContact O-CG 3.19Å
468	F	93.9	Very high	92.4	Very high	2 Å²	2	38.6 Å²	38.6	1%	0.009	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-96.4	-7.6	173.5	-56.8	-84.4	0	0	0	112.6	R298 L301 L306 L318 L321 Q322 M325 Y463 E465 L466	R298-F468 WeakPolarHBondContact CD-O 3.27Å; R298-F468 PolarHBondContact NE-O 3.33Å; L301-F468 HydrophobicContact CD1-CD1 3.92Å; L301-F468 HydrophobicContact CD1-CE1 4.32Å; L306-F468 HydrophobicContact CD1-CB 3.95Å; L306-F468 HydrophobicContact CD1-CD2 4.04Å; L306-F468 HydrophobicContact CD1-CG 4.12Å; L318-F468 HydrophobicContact CD2-CZ 4.44Å; L321-F468 HydrophobicContact CD2-CE1 4.09Å; L321-F468 HydrophobicContact CG-CE1 4.36Å; Q322-F468 HydrophobicContact CB-CZ 4.05Å; M325-F468 HydrophobicContact SD-CD1 4.38Å; M325-F468 HydrophobicContact SD-CE1 3.92Å; Y463-F468 HydrophobicContact CD2-CE2 4.47Å; E465-F468 PolarHBondContact O-N 3.14Å; L466-F468 PolarHBondContact O-N 2.97Å
469	T	92	Very high	93.2	Very high	35 Å²	35	32.2 Å²	32.2	22%	0.215	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-28.6	-173.8	64.8	0	0	0	0	113.9	R298 L466	R298-T469 PolarHBondContact NE-O 3.21Å; R298-T469 PolarHBondContact NH2-O 2.96Å; L466-T469 PolarHBondContact O-N 2.92Å; L466-T469 VanDerWaalsContact O-N 3.08Å; L466-T469 PolarHBondContact O-OG1 3.04Å
470	E	91.8	Very high	94.1	Very high	70 Å²	70	31 Å²	31	33%	0.327	15%	0.152	S	C	.	.	S	Bend	trans	-115.3	159.4	-172.9	-64.1	-59.3	162.9	0	0	114.5	R298 H472 E476 F522	R298-E470 WeakPolarHBondContact CD-O 3.32Å; R298-E470 PolarHBondContact NE-O 3.25Å; R298-E470 VanDerWaalsContact NE-O 3.11Å; E470-H472 VanDerWaalsContact C-N 3.33Å; E470-E476 HydrophobicContact CB-CG 4.12Å; E470-E476 HydrophobicContact CG-CB 4.49Å; E470-E476 HydrophobicContact CG-CG 4.12Å; E470-F522 HydrophobicContact CB-CE2 4.1Å; E470-F522 HydrophobicContact CG-CD2 3.7Å; E470-F522 HydrophobicContact CG-CE2 3.46Å; E470-F522 VanDerWaalsContact CG-CE2 3.46Å
471	E	92.4	Very high	94.8	Very high	95 Å²	95	30.4 Å²	30.4	44%	0.444	15%	0.146	S	C	.	.	S	Bend	trans	-71.6	-29	175.6	-73.5	-179.3	-177.8	0	0	112.5	R298	R298-E471 IonicContact NH1-OE1 2.62Å
472	H	94.6	Very high	95.1	Very high	85 Å²	85	26 Å²	26	39%	0.394	13%	0.126	S	C	.	.	S	Bend	trans	-129.7	64.5	-177.6	-66.1	-78.5	0	0	0	110.3	Y408 E470 F474 D475 E476	Y408-H472 HydrophobicContact CE2-CB 3.72Å; Y408-H472 AromaticContact CE2-CD2 3.71Å; Y408-H472 AromaticContact CE2-CG 3.6Å; E470-H472 VanDerWaalsContact C-N 3.33Å; H472-F474 VanDerWaalsContact C-N 3.34Å; H472-F474 PolarHBondContact O-N 2.88Å; H472-D475 HydrophobicContact CB-CB 4.04Å; H472-D475 PolarHBondContact O-N 3.19Å; H472-E476 WeakPolarHBondContact O-CB 3.45Å; H472-E476 WeakPolarHBondContact O-CG 3.46Å; H472-E476 PolarHBondContact O-N 3.34Å
473	P	95.1	Very high	95.3	Very high	3 Å²	3	25.2 Å²	25.2	2%	0.019	12%	0.123	C	C	.	.	H	α-helix	trans	-65	-32.5	-165.5	25.2	-34.6	0	0	0	113.9	F293 L467 L477 F522	F293-P473 HydrophobicContact CD1-CG 4.02Å; F293-P473 HydrophobicContact CE1-CG 3.6Å; L467-P473 HydrophobicContact CB-CB 4.49Å; L467-P473 HydrophobicContact CD2-CB 4.05Å; L467-P473 WeakPolarHBondContact O-CB 3.33Å; L467-P473 WeakPolarHBondContact O-CG 3.19Å; P473-L477 VanDerWaalsContact O-CB 3.26Å; P473-L477 WeakPolarHBondContact O-CB 3.14Å; P473-L477 PolarHBondContact O-N 2.92Å; P473-F522 WeakPolarHBondContact O-CZ 3.44Å
474	F	97.1	Very high	95.4	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-71.8	-44.2	175.2	-174.2	-93	0	0	0	112	Y329 L401 V443 L446 L450 I452 H472 L477 F478	Y329-F474 HydrophobicContact CD1-CB 4.1Å; Y329-F474 HydrophobicContact CD1-CD1 4.17Å; Y329-F474 HydrophobicContact CD1-CG 4.18Å; Y329-F474 HydrophobicContact CD2-CB 3.99Å; Y329-F474 HydrophobicContact CD2-CG 4.27Å; Y329-F474 HydrophobicContact CE1-CB 3.62Å; Y329-F474 HydrophobicContact CE1-CD1 4.29Å; Y329-F474 HydrophobicContact CE1-CG 4.18Å; Y329-F474 HydrophobicContact CE2-CB 3.52Å; Y329-F474 HydrophobicContact CE2-CG 4.3Å; Y329-F474 HydrophobicContact CG-CB 4.26Å; Y329-F474 HydrophobicContact CG-CG 4.22Å; Y329-F474 WeakPolarHBondContact OH-CB 3.24Å; L401-F474 HydrophobicContact CD1-CD1 4.31Å; L401-F474 HydrophobicContact CD1-CE1 4.14Å; L401-F474 HydrophobicContact CD2-CE1 3.76Å; L401-F474 HydrophobicContact CD2-CZ 3.99Å; L401-F474 HydrophobicContact CG-CE1 4.03Å; V443-F474 HydrophobicContact CG1-CE1 4.18Å; V443-F474 HydrophobicContact CG1-CZ 4.1Å; L446-F474 HydrophobicContact CB-CE2 3.77Å; L446-F474 HydrophobicContact CB-CZ 3.82Å; L446-F474 HydrophobicContact CD1-CZ 4.37Å; L450-F474 HydrophobicContact CD1-CD2 4.1Å; L450-F474 HydrophobicContact CD1-CE2 4.29Å; I452-F474 HydrophobicContact CD1-CD2 3.78Å; I452-F474 HydrophobicContact CD1-CE2 3.53Å; H472-F474 VanDerWaalsContact C-N 3.34Å; H472-F474 PolarHBondContact O-N 2.88Å; F474-L477 WeakPolarHBondContact O-CB 3.43Å; F474-L477 PolarHBondContact O-N 3.14Å; F474-F478 WeakPolarHBondContact O-CB 3.42Å; F474-F478 PolarHBondContact O-N 3.38Å
475	D	96.9	Very high	95.6	Very high	15 Å²	15	22.5 Å²	22.5	8%	0.08	11%	0.113	C	C	.	.	H	α-helix	trans	-66.1	-41.7	179.2	-45.7	-102	0	0	0	110.8	Y408 H472 F478 C479	Y408-D475 HydrophobicContact CD1-CB 3.49Å; Y408-D475 VanDerWaalsContact CD1-CB 3.49Å; Y408-D475 HydrophobicContact CD2-CB 3.94Å; Y408-D475 HydrophobicContact CE1-CB 3.76Å; Y408-D475 HydrophobicContact CE2-CB 4.19Å; Y408-D475 HydrophobicContact CG-CB 3.6Å; H472-D475 HydrophobicContact CB-CB 4.04Å; H472-D475 PolarHBondContact O-N 3.19Å; D475-F478 WeakPolarHBondContact O-CB 3.47Å; D475-F478 PolarHBondContact O-N 3.33Å; D475-C479 PolarHBondContact O-N 3.16Å; D475-C479 PolarHBondContact O-SG 3.14Å
476	E	97	Very high	95.6	Very high	13 Å²	13	21.1 Å²	21.1	6%	0.061	11%	0.107	C	C	.	.	H	α-helix	trans	-61.1	-45.7	172.6	-76	-67.5	88.8	0	0	111.4	Y408 H413 E470 H472 F478 C479 R480 F522	Y408-E476 WeakPolarHBondContact CE1-OE1 3.3Å; Y408-E476 PolarHBondContact OH-OE1 3.48Å; H413-E476 IonicContact CD2-OE1 3.79Å; H413-E476 IonicContact CE1-OE1 2.63Å; H413-E476 IonicContact CE1-OE2 3.72Å; H413-E476 IonicContact NE2-OE1 3.63Å; H413-E476 PolarHBondContact NE2-OE1 3.16Å; H413-E476 IonicContact NE2-OE2 3.29Å; E470-E476 HydrophobicContact CB-CG 4.12Å; E470-E476 HydrophobicContact CG-CB 4.49Å; E470-E476 HydrophobicContact CG-CG 4.12Å; H472-E476 WeakPolarHBondContact O-CB 3.45Å; H472-E476 WeakPolarHBondContact O-CG 3.46Å; H472-E476 PolarHBondContact O-N 3.34Å; E476-F478 PolarHBondContact O-N 3.12Å; E476-C479 WeakPolarHBondContact O-CB 3.45Å; E476-C479 PolarHBondContact O-N 2.9Å; E476-R480 WeakPolarHBondContact O-CD 3.47Å; E476-R480 PolarHBondContact O-N 3.27Å; E476-R480 PolarHBondContact O-NH1 3.24Å; E476-R480 IonicContact OE1-NH1 2.63Å; E476-R480 PolarHBondContact OE1-NH1 3.07Å; E476-R480 IonicContact OE2-CZ 2.66Å; E476-R480 IonicContact OE2-NH1 3.71Å; E476-R480 PolarHBondContact OE2-NH1 3.5Å; E476-R480 IonicContact OE2-NH2 3.43Å; E476-R480 PolarHBondContact OE2-NH2 2.83Å; E476-F522 HydrophobicContact CB-CE1 4.26Å; E476-F522 HydrophobicContact CB-CE2 4.31Å; E476-F522 HydrophobicContact CB-CZ 3.98Å
477	L	97.3	Very high	95.7	Very high	1 Å²	1	24.6 Å²	24.6	1%	0.005	12%	0.12	C	C	.	.	H	α-helix	trans	-57.9	-47.8	174.2	178.6	61.8	0	0	0	111.8	L446 L450 P473 F474 C479 R480 C481 F522 L525	L446-L477 HydrophobicContact CD2-CD2 3.83Å; L446-L477 HydrophobicContact CD2-CG 3.99Å; L450-L477 HydrophobicContact CD1-CD2 3.68Å; L450-L477 HydrophobicContact CG-CD2 4.48Å; P473-L477 VanDerWaalsContact O-CB 3.26Å; P473-L477 WeakPolarHBondContact O-CB 3.14Å; P473-L477 PolarHBondContact O-N 2.92Å; F474-L477 WeakPolarHBondContact O-CB 3.43Å; F474-L477 PolarHBondContact O-N 3.14Å; L477-C479 VanDerWaalsContact C-N 3.3Å; L477-C479 PolarHBondContact O-N 3.21Å; L477-R480 PolarHBondContact O-N 3.32Å; L477-C481 PolarHBondContact O-N 2.88Å; L477-C481 PolarHBondContact O-SG 2.65Å; L477-C481 VanDerWaalsContact O-SG 3.33Å; L477-F522 HydrophobicContact CB-CE1 3.89Å; L477-F522 HydrophobicContact CB-CZ 4.5Å; L477-F522 HydrophobicContact CD1-CE1 4.35Å; L477-L525 HydrophobicContact CD1-CD2 3.42Å; L477-L525 VanDerWaalsContact CD1-CD2 3.42Å
478	F	98.2	Very high	95.8	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-53.5	-46	175.2	168.2	-93.9	0	0	0	111.6	C405 I406 F409 C439 L442 V443 L446 F474 D475 E476 R480 C481 V482	C405-F478 HydrophobicContact CB-CD1 3.69Å; C405-F478 HydrophobicContact CB-CD2 4.1Å; C405-F478 HydrophobicContact CB-CE1 3.79Å; C405-F478 HydrophobicContact CB-CE2 4.19Å; C405-F478 HydrophobicContact CB-CG 3.84Å; C405-F478 HydrophobicContact CB-CZ 4.03Å; C405-F478 VanDerWaalsContact O-CE1 3.29Å; C405-F478 WeakPolarHBondContact O-CE1 3.41Å; I406-F478 HydrophobicContact CG1-CZ 4.14Å; F409-F478 HydrophobicContact CB-CD1 4.38Å; F409-F478 HydrophobicContact CB-CE1 3.97Å; F409-F478 HydrophobicContact CG-CE1 4.49Å; C439-F478 HydrophobicContact CB-CE2 4.14Å; C439-F478 HydrophobicContact CB-CZ 3.86Å; L442-F478 HydrophobicContact CD2-CD2 3.78Å; L442-F478 HydrophobicContact CD2-CE2 3.91Å; L442-F478 HydrophobicContact CG-CD2 4.17Å; L442-F478 HydrophobicContact CG-CE2 4.38Å; V443-F478 HydrophobicContact CG2-CD2 3.65Å; V443-F478 HydrophobicContact CG2-CE2 3.67Å; L446-F478 HydrophobicContact CD1-CB 3.95Å; L446-F478 HydrophobicContact CD1-CD2 4.24Å; F474-F478 WeakPolarHBondContact O-CB 3.42Å; F474-F478 PolarHBondContact O-N 3.38Å; D475-F478 WeakPolarHBondContact O-CB 3.47Å; D475-F478 PolarHBondContact O-N 3.33Å; E476-F478 PolarHBondContact O-N 3.12Å; F478-R480 VanDerWaalsContact C-N 3.34Å; F478-R480 PolarHBondContact O-N 2.7Å; F478-C481 CarbonylContact O-C 3.27Å; F478-C481 PolarHBondContact O-N 3.46Å; F478-C481 VanDerWaalsContact O-N 3.1Å; F478-V482 HydrophobicContact CD1-CG2 4.14Å; F478-V482 HydrophobicContact CD2-CG2 4.16Å; F478-V482 HydrophobicContact CE1-CG2 3.7Å; F478-V482 HydrophobicContact CE2-CG2 3.72Å; F478-V482 HydrophobicContact CG-CG2 4.35Å; F478-V482 HydrophobicContact CZ-CG2 3.48Å; F478-V482 VanDerWaalsContact CZ-CG2 3.48Å; F478-V482 WeakPolarHBondContact O-CG2 3.36Å; F478-V482 PolarHBondContact O-N 3.2Å
479	C	97.5	Very high	95.9	Very high	4 Å²	4	24.2 Å²	24.2	3%	0.027	12%	0.118	C	C	.	.	H	α-helix	trans	-59.1	-39.9	179.6	-62.4	0	0	0	0	113.2	F409 D475 E476 L477	F409-C479 HydrophobicContact CD2-CB 3.66Å; F409-C479 WeakPolarHBondContact CD2-SG 3.38Å; F409-C479 HydrophobicContact CE2-CB 4.05Å; F409-C479 HydrophobicContact CG-CB 4.49Å; D475-C479 PolarHBondContact O-N 3.16Å; D475-C479 PolarHBondContact O-SG 3.14Å; E476-C479 WeakPolarHBondContact O-CB 3.45Å; E476-C479 PolarHBondContact O-N 2.9Å; L477-C479 VanDerWaalsContact C-N 3.3Å; L477-C479 PolarHBondContact O-N 3.21Å
480	R	96.2	Very high	96	Very high	36 Å²	36	26.8 Å²	26.8	14%	0.136	13%	0.126	C	C	.	.	H	α-helix	trans	-68.7	-43.9	174.4	-74	78.4	-179.5	153.8	-6.7	110.4	E476 L477 F478 V482 S483 L484 E526 M529	E476-R480 WeakPolarHBondContact O-CD 3.47Å; E476-R480 PolarHBondContact O-N 3.27Å; E476-R480 PolarHBondContact O-NH1 3.24Å; E476-R480 IonicContact OE1-NH1 2.63Å; E476-R480 PolarHBondContact OE1-NH1 3.07Å; E476-R480 IonicContact OE2-CZ 2.66Å; E476-R480 IonicContact OE2-NH1 3.71Å; E476-R480 PolarHBondContact OE2-NH1 3.5Å; E476-R480 IonicContact OE2-NH2 3.43Å; E476-R480 PolarHBondContact OE2-NH2 2.83Å; L477-R480 PolarHBondContact O-N 3.32Å; F478-R480 VanDerWaalsContact C-N 3.34Å; F478-R480 PolarHBondContact O-N 2.7Å; R480-V482 VanDerWaalsContact C-N 3.35Å; R480-V482 PolarHBondContact O-N 3.11Å; R480-S483 WeakPolarHBondContact O-CB 3.27Å; R480-S483 PolarHBondContact O-N 2.92Å; R480-S483 VanDerWaalsContact O-N 3.11Å; R480-L484 PolarHBondContact O-N 3.13Å; R480-E526 HydrophobicContact CB-CG 4.48Å; R480-E526 HydrophobicContact CG-CG 3.8Å; R480-E526 WeakPolarHBondContact CG-OE1 3.22Å; R480-E526 IonicContact NE-OE1 2.91Å; R480-M529 HydrophobicContact CB-CE 3.87Å
481	C	97.7	Very high	96.1	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-68.3	-28.7	-177.8	-66.1	0	0	0	0	113.3	L442 L477 F478 S483 L484 V485 I511	L442-C481 HydrophobicContact CD1-CB 3.77Å; L442-C481 HydrophobicContact CD2-CB 3.77Å; L442-C481 HydrophobicContact CG-CB 4.31Å; L477-C481 PolarHBondContact O-N 2.88Å; L477-C481 PolarHBondContact O-SG 2.65Å; L477-C481 VanDerWaalsContact O-SG 3.33Å; F478-C481 CarbonylContact O-C 3.27Å; F478-C481 PolarHBondContact O-N 3.46Å; F478-C481 VanDerWaalsContact O-N 3.1Å; C481-S483 VanDerWaalsContact C-N 3.3Å; C481-S483 PolarHBondContact O-N 3.24Å; C481-L484 WeakPolarHBondContact O-CB 3.3Å; C481-L484 PolarHBondContact O-N 3.04Å; C481-V485 VanDerWaalsContact O-CG2 3.3Å; C481-V485 WeakPolarHBondContact O-CG2 3.33Å; C481-V485 PolarHBondContact O-N 3.12Å; C481-I511 HydrophobicContact CB-CD1 4.2Å
482	V	97.4	Very high	96.2	Very high	6 Å²	6	24.3 Å²	24.3	4%	0.036	12%	0.116	C	C	.	.	H	α-helix	trans	-62.9	-38.3	170.3	173.1	0	0	0	0	111.1	F409 I420 F435 L442 F478 R480 V485 N486	F409-V482 HydrophobicContact CD1-CG1 4.3Å; F409-V482 HydrophobicContact CE1-CB 4.14Å; F409-V482 HydrophobicContact CE1-CG1 3.62Å; F409-V482 HydrophobicContact CZ-CB 4.47Å; F409-V482 HydrophobicContact CZ-CG1 4.2Å; I420-V482 HydrophobicContact CD1-CG1 4.12Å; F435-V482 HydrophobicContact CE2-CG1 3.94Å; L442-V482 HydrophobicContact CD2-CB 4.39Å; L442-V482 HydrophobicContact CD2-CG2 3.61Å; F478-V482 HydrophobicContact CD1-CG2 4.14Å; F478-V482 HydrophobicContact CD2-CG2 4.16Å; F478-V482 HydrophobicContact CE1-CG2 3.7Å; F478-V482 HydrophobicContact CE2-CG2 3.72Å; F478-V482 HydrophobicContact CG-CG2 4.35Å; F478-V482 HydrophobicContact CZ-CG2 3.48Å; F478-V482 VanDerWaalsContact CZ-CG2 3.48Å; F478-V482 WeakPolarHBondContact O-CG2 3.36Å; F478-V482 PolarHBondContact O-N 3.2Å; R480-V482 VanDerWaalsContact C-N 3.35Å; R480-V482 PolarHBondContact O-N 3.11Å; V482-V485 PolarHBondContact O-N 2.94Å; V482-N486 PolarHBondContact O-N 2.79Å
483	S	95.2	Very high	96.1	Very high	47 Å²	47	29 Å²	29	33%	0.329	13%	0.13	S	C	.	.	H	α-helix	trans	-67.3	-38	174.5	-60.8	0	0	0	0	112	R480 C481 R487	R480-S483 WeakPolarHBondContact O-CB 3.27Å; R480-S483 PolarHBondContact O-N 2.92Å; R480-S483 VanDerWaalsContact O-N 3.11Å; C481-S483 VanDerWaalsContact C-N 3.3Å; C481-S483 PolarHBondContact O-N 3.24Å; S483-R487 PolarHBondContact O-N 2.91Å
484	L	96.7	Very high	96	Very high	6 Å²	6	29.1 Å²	29.1	3%	0.031	13%	0.131	C	C	.	.	H	α-helix	trans	-60.9	-50.9	170.6	174.9	63	0	0	0	111.4	R480 C481 N486 R487 T488 V507 Q510 I511 M529	R480-L484 PolarHBondContact O-N 3.13Å; C481-L484 WeakPolarHBondContact O-CB 3.3Å; C481-L484 PolarHBondContact O-N 3.04Å; L484-N486 PolarHBondContact O-N 3.45Å; L484-R487 WeakPolarHBondContact O-CA 3.24Å; L484-R487 WeakPolarHBondContact O-CB 3.42Å; L484-R487 PolarHBondContact O-N 3.32Å; L484-T488 PolarHBondContact O-N 3.08Å; L484-T488 PolarHBondContact O-OG1 3.45Å; L484-V507 HydrophobicContact CD2-CG1 4.08Å; L484-V507 HydrophobicContact CG-CG1 4.47Å; L484-V507 HydrophobicContact CG-CG2 4.5Å; L484-Q510 HydrophobicContact CD2-CB 3.93Å; L484-I511 HydrophobicContact CD2-CG1 4.01Å; L484-M529 HydrophobicContact CB-SD 4.49Å; L484-M529 HydrophobicContact CD2-CB 4.49Å; L484-M529 HydrophobicContact CD2-CG 4.17Å; L484-M529 HydrophobicContact CD2-SD 3.71Å
485	V	97.4	Very high	95.6	Very high	5 Å²	5	32.1 Å²	32.1	3%	0.03	15%	0.152	C	C	.	.	H	α-helix	trans	-55.3	-48.5	178.6	170.2	0	0	0	0	111.1	C438 L442 C481 V482 R487 T488 W489 M504 V507	C438-V485 HydrophobicContact CB-CG1 4.02Å; L442-V485 HydrophobicContact CB-CG2 4.47Å; L442-V485 HydrophobicContact CD1-CG2 4.09Å; L442-V485 HydrophobicContact CD2-CG2 4.11Å; L442-V485 HydrophobicContact CG-CG2 4.45Å; C481-V485 VanDerWaalsContact O-CG2 3.3Å; C481-V485 WeakPolarHBondContact O-CG2 3.33Å; C481-V485 PolarHBondContact O-N 3.12Å; V482-V485 PolarHBondContact O-N 2.94Å; V485-R487 PolarHBondContact O-N 3.33Å; V485-T488 PolarHBondContact O-N 3.07Å; V485-W489 WeakPolarHBondContact O-CB 3.38Å; V485-W489 PolarHBondContact O-N 3.1Å; V485-M504 HydrophobicContact CG1-CE 3.88Å; V485-M504 HydrophobicContact CG2-CE 3.98Å; V485-M504 HydrophobicContact CG2-SD 4.21Å; V485-V507 HydrophobicContact CG2-CB 4.45Å; V485-V507 HydrophobicContact CG2-CG1 3.85Å; V485-V507 HydrophobicContact CG2-CG2 4Å
486	N	95.3	Very high	95	Very high	12 Å²	12	33.3 Å²	33.3	6%	0.064	16%	0.161	C	C	.	.	H	α-helix	trans	-62.3	-30.7	178.1	-176.6	49.6	0	0	0	112.8	I420 N424 V482 L484 K490	I420-N486 HydrophobicContact CD1-CB 4.46Å; I420-N486 HydrophobicContact CG2-CB 4.06Å; N424-N486 PolarHBondContact ND2-OD1 3.19Å; V482-N486 PolarHBondContact O-N 2.79Å; L484-N486 PolarHBondContact O-N 3.45Å; N486-K490 PolarHBondContact ND2-NZ 3.42Å; N486-K490 WeakPolarHBondContact O-CD 3.44Å; N486-K490 VanDerWaalsContact O-CG 3.28Å; N486-K490 WeakPolarHBondContact O-CG 3.24Å; N486-K490 WeakPolarHBondContact OD1-CE 3.33Å
487	R	95.2	Very high	94.5	Very high	74 Å²	74	36.9 Å²	36.9	28%	0.279	18%	0.18	S	C	.	.	H	α-helix	trans	-75.1	-53.3	174.8	-166.6	-173.5	69.1	-149.3	-4.8	111.2	S483 L484 V485 W489 K490 E491 M529	S483-R487 PolarHBondContact O-N 2.91Å; L484-R487 WeakPolarHBondContact O-CA 3.24Å; L484-R487 WeakPolarHBondContact O-CB 3.42Å; L484-R487 PolarHBondContact O-N 3.32Å; V485-R487 PolarHBondContact O-N 3.33Å; R487-W489 VanDerWaalsContact C-N 3.29Å; R487-W489 PolarHBondContact O-N 2.96Å; R487-K490 WeakPolarHBondContact O-CB 3.4Å; R487-K490 PolarHBondContact O-N 2.94Å; R487-E491 VanDerWaalsContact CD-OE1 3.31Å; R487-E491 WeakPolarHBondContact CD-OE1 3.31Å; R487-E491 HydrophobicContact CG-CG 4.46Å; R487-E491 VanDerWaalsContact CG-OE1 3.28Å; R487-E491 WeakPolarHBondContact CG-OE1 3.41Å; R487-E491 IonicContact NE-OE1 3.03Å; R487-E491 PolarHBondContact NE-OE1 2.86Å; R487-E491 VanDerWaalsContact NE-OE1 3.12Å; R487-E491 WeakPolarHBondContact O-CG 3.27Å; R487-E491 PolarHBondContact O-N 3.44Å; R487-M529 PolarHBondContact NH2-O 2.97Å
488	T	96.5	Very high	94.1	Very high	0 Å²	0	43 Å²	43	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-60.8	-36.9	-179.3	-58.4	0	0	0	0	111.8	L484 V485 K490 E491 M492 V503 V506 V507 Q510	L484-T488 PolarHBondContact O-N 3.08Å; L484-T488 PolarHBondContact O-OG1 3.45Å; V485-T488 PolarHBondContact O-N 3.07Å; T488-K490 PolarHBondContact O-N 3.31Å; T488-E491 PolarHBondContact O-N 3.1Å; T488-M492 HydrophobicContact CG2-CG 4.27Å; T488-M492 HydrophobicContact CG2-SD 3.84Å; T488-M492 WeakPolarHBondContact O-CB 3.35Å; T488-M492 WeakPolarHBondContact O-CG 3.35Å; T488-M492 PolarHBondContact O-N 3.26Å; T488-V503 HydrophobicContact CG2-CG1 4.3Å; T488-V506 HydrophobicContact CG2-CB 4.12Å; T488-V506 HydrophobicContact CG2-CG1 3.6Å; T488-V507 HydrophobicContact CG2-CG2 4Å; T488-Q510 PolarHBondContact OG1-NE2 3.18Å; T488-Q510 PolarHBondContact OG1-OE1 3.33Å
489	W	95.9	Very high	93.8	Very high	2 Å²	2	44.1 Å²	44.1	1%	0.008	22%	0.219	C	C	.	.	H	α-helix	trans	-56.3	-46.4	171.8	-176.9	-80.9	0	0	0	112.4	R431 E432 C433 P434 V485 R487 R493 A494 S496 I500 V503	R431-W489 PolarHBondContact O-NE1 2.82Å; E432-W489 WeakPolarHBondContact O-CZ2 3.33Å; C433-W489 HydrophobicContact CB-CD2 4.07Å; C433-W489 HydrophobicContact CB-CG 3.92Å; P434-W489 HydrophobicContact CG-CH2 3.94Å; P434-W489 HydrophobicContact CG-CZ3 4.27Å; V485-W489 WeakPolarHBondContact O-CB 3.38Å; V485-W489 PolarHBondContact O-N 3.1Å; R487-W489 VanDerWaalsContact C-N 3.29Å; R487-W489 PolarHBondContact O-N 2.96Å; W489-R493 PolarHBondContact O-N 2.96Å; W489-R493 VanDerWaalsContact O-N 3.12Å; W489-A494 HydrophobicContact CD2-CB 3.69Å; W489-A494 HydrophobicContact CE3-CB 3.88Å; W489-A494 HydrophobicContact CG-CB 4.21Å; W489-A494 HydrophobicContact CH2-CB 4.07Å; W489-A494 HydrophobicContact CZ2-CB 3.91Å; W489-A494 HydrophobicContact CZ3-CB 4.05Å; W489-A494 PolarHBondContact NE1-O 2.65Å; W489-A494 VanDerWaalsContact NE1-O 3.14Å; W489-A494 PolarHBondContact O-N 2.91Å; W489-S496 WeakPolarHBondContact CH2-O 3.25Å; W489-I500 HydrophobicContact CH2-CG1 4.29Å; W489-I500 HydrophobicContact CZ3-CG1 3.87Å; W489-V503 HydrophobicContact CB-CG1 4.44Å; W489-V503 HydrophobicContact CE3-CB 4.3Å; W489-V503 HydrophobicContact CE3-CG1 4.26Å; W489-V503 HydrophobicContact CE3-CG2 3.83Å; W489-V503 HydrophobicContact CZ3-CG2 4.23Å
490	K	93.9	Very high	93.7	Very high	88 Å²	88	44.4 Å²	44.4	38%	0.383	22%	0.22	S	C	.	.	H	α-helix	trans	-68.8	-41.1	177.1	-67.3	167.9	-176.1	175.5	0	111.8	E423 N486 R487 T488 R493	E423-K490 IonicContact OE2-NZ 3.6Å; E423-K490 PolarHBondContact OE2-NZ 3.45Å; N486-K490 PolarHBondContact ND2-NZ 3.42Å; N486-K490 WeakPolarHBondContact O-CD 3.44Å; N486-K490 VanDerWaalsContact O-CG 3.28Å; N486-K490 WeakPolarHBondContact O-CG 3.24Å; N486-K490 WeakPolarHBondContact OD1-CE 3.33Å; R487-K490 WeakPolarHBondContact O-CB 3.4Å; R487-K490 PolarHBondContact O-N 2.94Å; T488-K490 PolarHBondContact O-N 3.31Å; K490-R493 PolarHBondContact O-N 3.47Å
491	E	94.7	Very high	93.6	Very high	66 Å²	66	45.4 Å²	45.4	31%	0.308	24%	0.241	S	C	.	.	H	α-helix	trans	-61	-45.1	176.7	-71.1	171.5	-174.1	0	0	111.5	R487 T488 R493 Y534	R487-E491 VanDerWaalsContact CD-OE1 3.31Å; R487-E491 WeakPolarHBondContact CD-OE1 3.31Å; R487-E491 HydrophobicContact CG-CG 4.46Å; R487-E491 VanDerWaalsContact CG-OE1 3.28Å; R487-E491 WeakPolarHBondContact CG-OE1 3.41Å; R487-E491 IonicContact NE-OE1 3.03Å; R487-E491 PolarHBondContact NE-OE1 2.86Å; R487-E491 VanDerWaalsContact NE-OE1 3.12Å; R487-E491 WeakPolarHBondContact O-CG 3.27Å; R487-E491 PolarHBondContact O-N 3.44Å; T488-E491 PolarHBondContact O-N 3.1Å; E491-R493 VanDerWaalsContact C-N 3.28Å; E491-R493 PolarHBondContact O-N 3.36Å; E491-Y534 HydrophobicContact CB-CD1 4.06Å; E491-Y534 HydrophobicContact CB-CG 4.27Å; E491-Y534 WeakPolarHBondContact OE2-CB 3.45Å; E491-Y534 PolarHBondContact OE2-N 3.01Å
492	M	94.4	Very high	93.5	Very high	48 Å²	48	51 Å²	51	24%	0.236	27%	0.266	C	S	.	.	H	α-helix	trans	-75.2	-11.7	177.2	-68.7	179.8	67	0	0	114.2	T488 A494 K502 V503 V506 Y534	T488-M492 HydrophobicContact CG2-CG 4.27Å; T488-M492 HydrophobicContact CG2-SD 3.84Å; T488-M492 WeakPolarHBondContact O-CB 3.35Å; T488-M492 WeakPolarHBondContact O-CG 3.35Å; T488-M492 PolarHBondContact O-N 3.26Å; M492-A494 PolarHBondContact O-N 2.71Å; M492-K502 HydrophobicContact CE-CB 4.13Å; M492-V503 HydrophobicContact CE-CG2 4.1Å; M492-V503 HydrophobicContact SD-CB 4.23Å; M492-V503 HydrophobicContact SD-CG1 4.48Å; M492-V503 HydrophobicContact SD-CG2 3.82Å; M492-V506 HydrophobicContact CE-CG2 4.03Å; M492-V506 HydrophobicContact SD-CB 4.04Å; M492-V506 HydrophobicContact SD-CG1 4.41Å; M492-V506 HydrophobicContact SD-CG2 3.74Å; M492-Y534 HydrophobicContact CG-CD1 4.06Å; M492-Y534 HydrophobicContact CG-CD2 3.64Å; M492-Y534 HydrophobicContact CG-CE1 4.07Å; M492-Y534 HydrophobicContact CG-CE2 3.68Å; M492-Y534 HydrophobicContact CG-CG 3.85Å; M492-Y534 HydrophobicContact SD-CD2 4.24Å; M492-Y534 HydrophobicContact SD-CE2 4.29Å
493	R	92.6	Very high	93.4	Very high	183 Å²	183	50.8 Å²	50.8	69%	0.691	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.6	31.4	-173	-50.6	176.8	180	179.9	-0.3	113.3	W489 K490 E491	W489-R493 PolarHBondContact O-N 2.96Å; W489-R493 VanDerWaalsContact O-N 3.12Å; K490-R493 PolarHBondContact O-N 3.47Å; E491-R493 VanDerWaalsContact C-N 3.28Å; E491-R493 PolarHBondContact O-N 3.36Å
494	A	92.5	Very high	93.5	Very high	5 Å²	5	49 Å²	49	4%	0.041	25%	0.251	C	S	.	.			trans	-58.7	146.4	179.8	0	0	0	0	0	111.6	R431 W489 M492 D499 V503	R431-A494 WeakPolarHBondContact CB-O 3.44Å; W489-A494 HydrophobicContact CD2-CB 3.69Å; W489-A494 HydrophobicContact CE3-CB 3.88Å; W489-A494 HydrophobicContact CG-CB 4.21Å; W489-A494 HydrophobicContact CH2-CB 4.07Å; W489-A494 HydrophobicContact CZ2-CB 3.91Å; W489-A494 HydrophobicContact CZ3-CB 4.05Å; W489-A494 PolarHBondContact NE1-O 2.65Å; W489-A494 VanDerWaalsContact NE1-O 3.14Å; W489-A494 PolarHBondContact O-N 2.91Å; M492-A494 PolarHBondContact O-N 2.71Å; A494-D499 HydrophobicContact CB-CB 3.77Å; A494-V503 HydrophobicContact CB-CG2 3.61Å
495	S	89.6	Confident	93.5	Very high	64 Å²	64	51 Å²	51	45%	0.448	27%	0.269	S	S	.	.			trans	-138	-24.9	-168.6	58.1	0	0	0	0	117.4	G430 D499	G430-S495 WeakPolarHBondContact O-CB 3.4Å; S495-D499 PolarHBondContact N-OD2 3.31Å
496	S	84.8	Confident	93.5	Very high	39 Å²	39	51 Å²	51	27%	0.273	27%	0.268	S	S	.	.	S	Bend	trans	-119.2	165.6	179.3	80.7	0	0	0	0	112.3	W489 D498 D499	W489-S496 WeakPolarHBondContact CH2-O 3.25Å; S496-D498 PolarHBondContact O-N 2.86Å; S496-D498 VanDerWaalsContact O-N 3.15Å; S496-D498 WeakPolarHBondContact OG-CB 3.41Å; S496-D498 PolarHBondContact OG-N 3.23Å; S496-D498 VanDerWaalsContact OG-N 3.14Å; S496-D498 PolarHBondContact OG-OD2 3.19Å; S496-D499 PolarHBondContact N-OD2 3.44Å; S496-D499 WeakPolarHBondContact O-CB 3.49Å; S496-D499 PolarHBondContact O-N 3.29Å
497	L	85.8	Confident	93.6	Very high	88 Å²	88	50.4 Å²	50.4	46%	0.461	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	-55.1	-26.9	169.5	-68.5	167.9	0	0	0	112	P434 Q437 D499 I500	P434-L497 HydrophobicContact CB-CD2 3.8Å; P434-L497 HydrophobicContact CG-CD2 3.95Å; Q437-L497 HydrophobicContact CB-CD2 4.5Å; Q437-L497 HydrophobicContact CG-CD2 4.38Å; L497-D499 VanDerWaalsContact C-N 3.28Å; L497-D499 PolarHBondContact O-N 2.82Å; L497-I500 HydrophobicContact CB-CD1 4.45Å; L497-I500 HydrophobicContact CD2-CD1 3.83Å; L497-I500 WeakPolarHBondContact O-CB 3.18Å; L497-I500 VanDerWaalsContact O-CG1 3.32Å; L497-I500 WeakPolarHBondContact O-CG1 3.4Å; L497-I500 PolarHBondContact O-N 2.85Å
498	D	87.8	Confident	93.7	Very high	129 Å²	129	49.8 Å²	49.8	69%	0.69	27%	0.265	S	S	*	.	G	3₁₀ helix	trans	-73.2	-18.5	178.2	-39	-68.7	0	0	0	113	S496	S496-D498 PolarHBondContact O-N 2.86Å; S496-D498 VanDerWaalsContact O-N 3.15Å; S496-D498 WeakPolarHBondContact OG-CB 3.41Å; S496-D498 PolarHBondContact OG-N 3.23Å; S496-D498 VanDerWaalsContact OG-N 3.14Å; S496-D498 PolarHBondContact OG-OD2 3.19Å
499	D	93.2	Very high	93.7	Very high	24 Å²	24	52.3 Å²	52.3	13%	0.128	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-79.7	-17.7	174.7	-68.1	-40.9	0	0	0	112.6	A494 S495 S496 L497 G501 K502 V503	A494-D499 HydrophobicContact CB-CB 3.77Å; S495-D499 PolarHBondContact N-OD2 3.31Å; S496-D499 PolarHBondContact N-OD2 3.44Å; S496-D499 WeakPolarHBondContact O-CB 3.49Å; S496-D499 PolarHBondContact O-N 3.29Å; L497-D499 VanDerWaalsContact C-N 3.28Å; L497-D499 PolarHBondContact O-N 2.82Å; D499-G501 VanDerWaalsContact C-N 3.3Å; D499-G501 PolarHBondContact O-N 3.13Å; D499-K502 WeakPolarHBondContact O-CB 3.47Å; D499-K502 PolarHBondContact O-N 3.03Å; D499-K502 IonicContact OD1-NZ 3.71Å; D499-K502 PolarHBondContact OD1-NZ 2.98Å; D499-V503 WeakPolarHBondContact O-CG2 3.21Å; D499-V503 PolarHBondContact O-N 2.81Å
500	I	94.1	Very high	93.7	Very high	11 Å²	11	52.2 Å²	52.2	6%	0.056	28%	0.276	C	S	.	.	H	α-helix	trans	-53.1	-47.9	-177.9	-62.8	171.9	0	0	0	110.7	P434 Q437 E441 W489 L497 K502 V503 M504	P434-I500 HydrophobicContact CG-CD1 3.71Å; P434-I500 HydrophobicContact CG-CG1 3.99Å; Q437-I500 HydrophobicContact CB-CD1 3.84Å; E441-I500 HydrophobicContact CB-CG2 4.04Å; E441-I500 HydrophobicContact CG-CG2 3.91Å; W489-I500 HydrophobicContact CH2-CG1 4.29Å; W489-I500 HydrophobicContact CZ3-CG1 3.87Å; L497-I500 HydrophobicContact CB-CD1 4.45Å; L497-I500 HydrophobicContact CD2-CD1 3.83Å; L497-I500 WeakPolarHBondContact O-CB 3.18Å; L497-I500 VanDerWaalsContact O-CG1 3.32Å; L497-I500 WeakPolarHBondContact O-CG1 3.4Å; L497-I500 PolarHBondContact O-N 2.85Å; I500-K502 VanDerWaalsContact C-N 3.26Å; I500-K502 PolarHBondContact O-N 3.2Å; I500-V503 PolarHBondContact O-N 3.41Å; I500-M504 HydrophobicContact CG2-CE 4.32Å; I500-M504 HydrophobicContact CG2-CG 3.89Å; I500-M504 VanDerWaalsContact O-CB 3.31Å; I500-M504 WeakPolarHBondContact O-CB 3.44Å; I500-M504 VanDerWaalsContact O-CG 3.25Å; I500-M504 WeakPolarHBondContact O-CG 3.31Å; I500-M504 PolarHBondContact O-N 2.93Å
501	G	94.5	Very high	93.9	Very high	56 Å²	56	48 Å²	48	58%	0.577	26%	0.258	S	S	*	.	H	α-helix	trans	-60.4	-33.3	179.7	0	0	0	0	0	113.8	D499 A505	D499-G501 VanDerWaalsContact C-N 3.3Å; D499-G501 PolarHBondContact O-N 3.13Å; G501-A505 WeakPolarHBondContact O-CB 3.49Å; G501-A505 PolarHBondContact O-N 3.14Å
502	K	95.1	Very high	93.9	Very high	118 Å²	118	47.1 Å²	47.1	51%	0.513	26%	0.258	S	S	.	.	H	α-helix	trans	-73.5	-44.7	176.7	-53.4	171.1	-162.4	155.7	0	111	M492 D499 I500 M504 A505 V506	M492-K502 HydrophobicContact CE-CB 4.13Å; D499-K502 WeakPolarHBondContact O-CB 3.47Å; D499-K502 PolarHBondContact O-N 3.03Å; D499-K502 IonicContact OD1-NZ 3.71Å; D499-K502 PolarHBondContact OD1-NZ 2.98Å; I500-K502 VanDerWaalsContact C-N 3.26Å; I500-K502 PolarHBondContact O-N 3.2Å; K502-M504 VanDerWaalsContact C-N 3.34Å; K502-A505 PolarHBondContact O-N 3.22Å; K502-V506 PolarHBondContact O-N 3.45Å
503	V	96.7	Very high	94	Very high	1 Å²	1	47 Å²	47	1%	0.006	26%	0.255	C	S	.	.	H	α-helix	trans	-63	-43.4	177.3	177.2	0	0	0	0	110.1	T488 W489 M492 A494 D499 I500 A505 V506 V507	T488-V503 HydrophobicContact CG2-CG1 4.3Å; W489-V503 HydrophobicContact CB-CG1 4.44Å; W489-V503 HydrophobicContact CE3-CB 4.3Å; W489-V503 HydrophobicContact CE3-CG1 4.26Å; W489-V503 HydrophobicContact CE3-CG2 3.83Å; W489-V503 HydrophobicContact CZ3-CG2 4.23Å; M492-V503 HydrophobicContact CE-CG2 4.1Å; M492-V503 HydrophobicContact SD-CB 4.23Å; M492-V503 HydrophobicContact SD-CG1 4.48Å; M492-V503 HydrophobicContact SD-CG2 3.82Å; A494-V503 HydrophobicContact CB-CG2 3.61Å; D499-V503 WeakPolarHBondContact O-CG2 3.21Å; D499-V503 PolarHBondContact O-N 2.81Å; I500-V503 PolarHBondContact O-N 3.41Å; V503-A505 PolarHBondContact O-N 3.3Å; V503-V506 PolarHBondContact O-N 2.84Å; V503-V507 HydrophobicContact CG1-CG2 4.28Å; V503-V507 WeakPolarHBondContact O-CB 3.34Å; V503-V507 VanDerWaalsContact O-CG2 3.31Å; V503-V507 WeakPolarHBondContact O-CG2 3.47Å; V503-V507 PolarHBondContact O-N 3.42Å
504	M	97.3	Very high	94.1	Very high	10 Å²	10	38.3 Å²	38.3	5%	0.049	22%	0.223	C	C	.	.	H	α-helix	trans	-66.3	-33.9	177.5	-71.1	-57.9	168.1	0	0	113	C438 E441 L442 V445 V485 I500 K502 V507 K508	C438-M504 HydrophobicContact CB-CE 3.95Å; C438-M504 WeakPolarHBondContact O-CE 3.31Å; E441-M504 HydrophobicContact CB-CE 4.2Å; E441-M504 HydrophobicContact CB-CG 4.03Å; E441-M504 HydrophobicContact CB-SD 4.48Å; L442-M504 HydrophobicContact CB-CE 4.14Å; L442-M504 HydrophobicContact CB-SD 4.29Å; V445-M504 HydrophobicContact CG2-CB 3.9Å; V445-M504 HydrophobicContact CG2-CG 4.38Å; V445-M504 HydrophobicContact CG2-SD 4.21Å; V485-M504 HydrophobicContact CG1-CE 3.88Å; V485-M504 HydrophobicContact CG2-CE 3.98Å; V485-M504 HydrophobicContact CG2-SD 4.21Å; I500-M504 HydrophobicContact CG2-CE 4.32Å; I500-M504 HydrophobicContact CG2-CG 3.89Å; I500-M504 VanDerWaalsContact O-CB 3.31Å; I500-M504 WeakPolarHBondContact O-CB 3.44Å; I500-M504 VanDerWaalsContact O-CG 3.25Å; I500-M504 WeakPolarHBondContact O-CG 3.31Å; I500-M504 PolarHBondContact O-N 2.93Å; K502-M504 VanDerWaalsContact C-N 3.34Å; M504-V507 PolarHBondContact O-N 2.89Å; M504-K508 WeakPolarHBondContact O-CB 3.47Å; M504-K508 PolarHBondContact O-N 3.32Å
505	A	95.9	Very high	94.3	Very high	48 Å²	48	38.2 Å²	38.2	40%	0.397	22%	0.221	S	C	.	.	H	α-helix	trans	-63.6	-41.8	171.8	0	0	0	0	0	112.3	G501 K502 V503 E509 W541	G501-A505 WeakPolarHBondContact O-CB 3.49Å; G501-A505 PolarHBondContact O-N 3.14Å; K502-A505 PolarHBondContact O-N 3.22Å; V503-A505 PolarHBondContact O-N 3.3Å; A505-E509 PolarHBondContact O-N 3.48Å; A505-W541 HydrophobicContact CB-CH2 4.33Å
506	V	96.9	Very high	94.5	Very high	4 Å²	4	38.7 Å²	38.7	2%	0.024	23%	0.229	C	C	.	.	H	α-helix	trans	-64.8	-48.8	173.5	174.6	0	0	0	0	110.2	T488 M492 K502 V503 K508 E509 Q510 Y534 I537 W541	T488-V506 HydrophobicContact CG2-CB 4.12Å; T488-V506 HydrophobicContact CG2-CG1 3.6Å; M492-V506 HydrophobicContact CE-CG2 4.03Å; M492-V506 HydrophobicContact SD-CB 4.04Å; M492-V506 HydrophobicContact SD-CG1 4.41Å; M492-V506 HydrophobicContact SD-CG2 3.74Å; K502-V506 PolarHBondContact O-N 3.45Å; V503-V506 PolarHBondContact O-N 2.84Å; V506-K508 VanDerWaalsContact C-N 3.32Å; V506-K508 PolarHBondContact O-N 3.18Å; V506-E509 WeakPolarHBondContact O-CB 3.45Å; V506-E509 PolarHBondContact O-N 3.4Å; V506-E509 VanDerWaalsContact O-N 3.1Å; V506-Q510 HydrophobicContact CG1-CG 4.28Å; V506-Q510 VanDerWaalsContact O-CG 3.31Å; V506-Q510 WeakPolarHBondContact O-CG 3.45Å; V506-Q510 PolarHBondContact O-N 3.21Å; V506-Y534 HydrophobicContact CG1-CD2 4.03Å; V506-Y534 HydrophobicContact CG2-CD2 4.36Å; V506-Y534 HydrophobicContact CG2-CE2 4.45Å; V506-I537 HydrophobicContact CG1-CB 4.42Å; V506-I537 HydrophobicContact CG1-CG2 4.13Å; V506-W541 HydrophobicContact CB-CH2 4.41Å; V506-W541 HydrophobicContact CG2-CH2 3.76Å; V506-W541 HydrophobicContact CG2-CZ3 3.64Å
507	V	97.7	Very high	94.9	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-60.5	-38.9	-179.8	168.5	0	0	0	0	111.9	L442 L484 V485 T488 V503 M504 E509 Q510 I511	L442-V507 HydrophobicContact CD1-CG1 4.2Å; L484-V507 HydrophobicContact CD2-CG1 4.08Å; L484-V507 HydrophobicContact CG-CG1 4.47Å; L484-V507 HydrophobicContact CG-CG2 4.5Å; V485-V507 HydrophobicContact CG2-CB 4.45Å; V485-V507 HydrophobicContact CG2-CG1 3.85Å; V485-V507 HydrophobicContact CG2-CG2 4Å; T488-V507 HydrophobicContact CG2-CG2 4Å; V503-V507 HydrophobicContact CG1-CG2 4.28Å; V503-V507 WeakPolarHBondContact O-CB 3.34Å; V503-V507 VanDerWaalsContact O-CG2 3.31Å; V503-V507 WeakPolarHBondContact O-CG2 3.47Å; V503-V507 PolarHBondContact O-N 3.42Å; M504-V507 PolarHBondContact O-N 2.89Å; V507-E509 VanDerWaalsContact C-N 3.35Å; V507-E509 PolarHBondContact O-N 3.43Å; V507-Q510 WeakPolarHBondContact O-CB 3.35Å; V507-Q510 PolarHBondContact O-N 2.67Å; V507-I511 HydrophobicContact CG1-CD1 3.68Å; V507-I511 HydrophobicContact CG1-CG1 4.39Å; V507-I511 WeakPolarHBondContact O-CD1 3.38Å; V507-I511 VanDerWaalsContact O-CG1 3.27Å; V507-I511 WeakPolarHBondContact O-CG1 3.43Å; V507-I511 PolarHBondContact O-N 2.84Å
508	K	97.5	Very high	95.2	Very high	62 Å²	62	44.1 Å²	44.1	27%	0.27	24%	0.242	S	C	.	.	H	α-helix	trans	-56.7	-49.6	172.9	-173.9	178.1	-178.6	-176.2	0	110.9	V445 D448 M504 V506 Q510 I511 C512	V445-K508 HydrophobicContact CG1-CB 3.67Å; V445-K508 HydrophobicContact CG1-CG 3.99Å; D448-K508 WeakPolarHBondContact OD1-CE 3.4Å; D448-K508 IonicContact OD1-NZ 3.25Å; D448-K508 PolarHBondContact OD1-NZ 2.93Å; D448-K508 IonicContact OD2-NZ 2.7Å; D448-K508 PolarHBondContact OD2-NZ 3.47Å; M504-K508 WeakPolarHBondContact O-CB 3.47Å; M504-K508 PolarHBondContact O-N 3.32Å; V506-K508 VanDerWaalsContact C-N 3.32Å; V506-K508 PolarHBondContact O-N 3.18Å; K508-Q510 PolarHBondContact O-N 2.68Å; K508-I511 PolarHBondContact O-N 3.32Å; K508-C512 WeakPolarHBondContact O-CB 3.31Å; K508-C512 PolarHBondContact O-N 2.85Å; K508-C512 PolarHBondContact O-SG 3.5Å
509	E	96.1	Very high	95.5	Very high	52 Å²	52	38.5 Å²	38.5	24%	0.243	21%	0.212	C	C	.	.	H	α-helix	trans	-62.6	-42	179	-168.2	70.1	-165.1	0	0	112.2	A505 V506 V507 I511 C512 R513 I537 W541	A505-E509 PolarHBondContact O-N 3.48Å; V506-E509 WeakPolarHBondContact O-CB 3.45Å; V506-E509 PolarHBondContact O-N 3.4Å; V506-E509 VanDerWaalsContact O-N 3.1Å; V507-E509 VanDerWaalsContact C-N 3.35Å; V507-E509 PolarHBondContact O-N 3.43Å; E509-I511 VanDerWaalsContact C-N 3.33Å; E509-I511 PolarHBondContact O-N 2.87Å; E509-C512 PolarHBondContact O-N 3.01Å; E509-R513 WeakPolarHBondContact O-CB 3.33Å; E509-R513 WeakPolarHBondContact O-CG 3.45Å; E509-R513 PolarHBondContact O-N 3.44Å; E509-R513 IonicContact OE1-CZ 2.73Å; E509-R513 IonicContact OE1-NE 2.88Å; E509-R513 PolarHBondContact OE1-NE 2.96Å; E509-R513 IonicContact OE1-NH2 2.84Å; E509-R513 PolarHBondContact OE1-NH2 3.31Å; E509-I537 HydrophobicContact CB-CD1 4.3Å; E509-I537 HydrophobicContact CB-CG2 4.28Å; E509-I537 HydrophobicContact CG-CD1 3.84Å; E509-I537 HydrophobicContact CG-CG2 4.13Å; E509-W541 HydrophobicContact CB-CZ2 3.81Å; E509-W541 HydrophobicContact CG-CZ2 4.09Å
510	Q	97.3	Very high	95.5	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-57.7	-45.3	174.9	-66.8	177.8	-63.6	0	0	111.5	L484 T488 V506 V507 K508 S514 Y532 I537	L484-Q510 HydrophobicContact CD2-CB 3.93Å; T488-Q510 PolarHBondContact OG1-NE2 3.18Å; T488-Q510 PolarHBondContact OG1-OE1 3.33Å; V506-Q510 HydrophobicContact CG1-CG 4.28Å; V506-Q510 VanDerWaalsContact O-CG 3.31Å; V506-Q510 WeakPolarHBondContact O-CG 3.45Å; V506-Q510 PolarHBondContact O-N 3.21Å; V507-Q510 WeakPolarHBondContact O-CB 3.35Å; V507-Q510 PolarHBondContact O-N 2.67Å; K508-Q510 PolarHBondContact O-N 2.68Å; Q510-S514 VanDerWaalsContact O-CB 3.31Å; Q510-S514 WeakPolarHBondContact O-CB 3.35Å; Q510-S514 PolarHBondContact O-N 3.37Å; Q510-S514 VanDerWaalsContact O-N 3.11Å; Q510-S514 PolarHBondContact O-OG 3.19Å; Q510-Y532 VanDerWaalsContact CG-O 3.25Å; Q510-Y532 WeakPolarHBondContact CG-O 3.35Å; Q510-Y532 PolarHBondContact NE2-O 3.06Å; Q510-I537 HydrophobicContact CG-CD1 4.01Å; Q510-I537 HydrophobicContact CG-CG1 3.58Å
511	I	96.8	Very high	95.5	Very high	1 Å²	1	47.1 Å²	47.1	1%	0.005	25%	0.246	C	C	.	.	H	α-helix	trans	-66.8	-51.4	178.1	-67.5	164.4	0	0	0	110.4	L442 V445 L446 A449 C481 L484 V507 K508 E509 R513 S514 L515	L442-I511 HydrophobicContact CD1-CD1 4.24Å; V445-I511 HydrophobicContact CG1-CD1 4.37Å; L446-I511 HydrophobicContact CD2-CD1 4.01Å; A449-I511 HydrophobicContact CB-CG2 4.39Å; C481-I511 HydrophobicContact CB-CD1 4.2Å; L484-I511 HydrophobicContact CD2-CG1 4.01Å; V507-I511 HydrophobicContact CG1-CD1 3.68Å; V507-I511 HydrophobicContact CG1-CG1 4.39Å; V507-I511 WeakPolarHBondContact O-CD1 3.38Å; V507-I511 VanDerWaalsContact O-CG1 3.27Å; V507-I511 WeakPolarHBondContact O-CG1 3.43Å; V507-I511 PolarHBondContact O-N 2.84Å; K508-I511 PolarHBondContact O-N 3.32Å; E509-I511 VanDerWaalsContact C-N 3.33Å; E509-I511 PolarHBondContact O-N 2.87Å; I511-R513 PolarHBondContact O-N 2.75Å; I511-S514 PolarHBondContact O-N 3.22Å; I511-L515 HydrophobicContact CG2-CD1 3.75Å; I511-L515 HydrophobicContact CG2-CG 4.33Å; I511-L515 WeakPolarHBondContact O-CB 3.24Å; I511-L515 WeakPolarHBondContact O-CG 3.49Å; I511-L515 PolarHBondContact O-N 2.71Å
512	C	96.2	Very high	95.5	Very high	46 Å²	46	44.9 Å²	44.9	31%	0.311	22%	0.22	S	C	.	.	H	α-helix	trans	-59.3	-42.4	-178.1	-71.4	0	0	0	0	112.6	K508 E509 L515 A516	K508-C512 WeakPolarHBondContact O-CB 3.31Å; K508-C512 PolarHBondContact O-N 2.85Å; K508-C512 PolarHBondContact O-SG 3.5Å; E509-C512 PolarHBondContact O-N 3.01Å; C512-L515 PolarHBondContact O-N 2.81Å; C512-A516 WeakPolarHBondContact O-CB 3.36Å; C512-A516 PolarHBondContact O-N 3.06Å
513	R	94.9	Very high	95.5	Very high	46 Å²	46	44.4 Å²	44.4	17%	0.174	22%	0.22	C	C	.	.	H	α-helix	trans	-68.1	-41.1	175.7	-69.4	-179.8	-173.2	-130.5	-5.7	112.9	E509 I511 L515 A516 Y532 S540 E544	E509-R513 WeakPolarHBondContact O-CB 3.33Å; E509-R513 WeakPolarHBondContact O-CG 3.45Å; E509-R513 PolarHBondContact O-N 3.44Å; E509-R513 IonicContact OE1-CZ 2.73Å; E509-R513 IonicContact OE1-NE 2.88Å; E509-R513 PolarHBondContact OE1-NE 2.96Å; E509-R513 IonicContact OE1-NH2 2.84Å; E509-R513 PolarHBondContact OE1-NH2 3.31Å; I511-R513 PolarHBondContact O-N 2.75Å; R513-L515 VanDerWaalsContact C-N 3.3Å; R513-L515 PolarHBondContact O-N 2.9Å; R513-A516 PolarHBondContact O-N 3.06Å; R513-Y532 HydrophobicContact CB-CD1 4.18Å; R513-Y532 HydrophobicContact CB-CD2 3.81Å; R513-Y532 HydrophobicContact CB-CE1 4.12Å; R513-Y532 HydrophobicContact CB-CE2 3.71Å; R513-Y532 HydrophobicContact CB-CG 4.04Å; R513-S540 PolarHBondContact NH1-OG 2.87Å; R513-E544 IonicContact CZ-OE1 2.71Å; R513-E544 IonicContact NH1-OE1 3.08Å; R513-E544 IonicContact NH2-OE1 3.16Å; R513-E544 PolarHBondContact NH2-OE1 2.94Å; R513-E544 IonicContact NH2-OE2 2.73Å
514	S	96.3	Very high	95.4	Very high	1 Å²	1	47.2 Å²	47.2	1%	0.007	24%	0.235	C	C	.	.	H	α-helix	trans	-64.1	-37.3	176.8	-55.2	0	0	0	0	111.5	Q510 I511 P519 G528 M529	Q510-S514 VanDerWaalsContact O-CB 3.31Å; Q510-S514 WeakPolarHBondContact O-CB 3.35Å; Q510-S514 PolarHBondContact O-N 3.37Å; Q510-S514 VanDerWaalsContact O-N 3.11Å; Q510-S514 PolarHBondContact O-OG 3.19Å; I511-S514 PolarHBondContact O-N 3.22Å; S514-P519 WeakPolarHBondContact O-CD 3.46Å; S514-P519 WeakPolarHBondContact O-CG 3.33Å; S514-G528 VanDerWaalsContact OG-C 3.29Å; S514-M529 WeakPolarHBondContact OG-CA 3.27Å; S514-M529 WeakPolarHBondContact OG-CG 3.36Å; S514-M529 PolarHBondContact OG-N 2.73Å
515	L	95.3	Very high	95.4	Very high	3 Å²	3	46.8 Å²	46.8	2%	0.016	23%	0.233	C	C	.	.	H	α-helix	trans	-71.5	-35.1	174.4	-72	173.2	0	0	0	112.9	L450 Y464 L466 I511 C512 R513 E517 R518 L525	L450-L515 HydrophobicContact CD2-CD1 3.92Å; Y464-L515 HydrophobicContact CD1-CB 4.4Å; Y464-L515 HydrophobicContact CD1-CD2 4.21Å; Y464-L515 HydrophobicContact CD2-CD2 4.45Å; Y464-L515 HydrophobicContact CE1-CB 3.83Å; Y464-L515 HydrophobicContact CE1-CD2 4.39Å; Y464-L515 WeakPolarHBondContact CE1-O 3.41Å; Y464-L515 HydrophobicContact CG-CD2 4.25Å; L466-L515 HydrophobicContact CD2-CD2 4.07Å; I511-L515 HydrophobicContact CG2-CD1 3.75Å; I511-L515 HydrophobicContact CG2-CG 4.33Å; I511-L515 WeakPolarHBondContact O-CB 3.24Å; I511-L515 WeakPolarHBondContact O-CG 3.49Å; I511-L515 PolarHBondContact O-N 2.71Å; C512-L515 PolarHBondContact O-N 2.81Å; R513-L515 VanDerWaalsContact C-N 3.3Å; R513-L515 PolarHBondContact O-N 2.9Å; L515-E517 PolarHBondContact O-N 3.43Å; L515-R518 PolarHBondContact O-N 2.87Å; L515-L525 HydrophobicContact CD2-CD1 3.93Å; L515-L525 HydrophobicContact CG-CD1 4.27Å
516	A	93.8	Very high	95.4	Very high	74 Å²	74	47.7 Å²	47.7	61%	0.612	23%	0.229	S	C	*	.	H	α-helix	trans	-60.6	-26	179.5	0	0	0	0	0	113.5	C512 R513 R518	C512-A516 WeakPolarHBondContact O-CB 3.36Å; C512-A516 PolarHBondContact O-N 3.06Å; R513-A516 PolarHBondContact O-N 3.06Å; A516-R518 PolarHBondContact O-N 2.96Å
517	E	94	Very high	95.3	Very high	95 Å²	95	51.4 Å²	51.4	44%	0.444	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-5.2	173.1	-69.1	-172.5	-168	0	0	114.7	L515 R531 Y532	L515-E517 PolarHBondContact O-N 3.43Å; E517-R531 IonicContact OE1-CZ 2.71Å; E517-R531 VanDerWaalsContact OE1-CZ 3.29Å; E517-R531 IonicContact OE1-NE 3.31Å; E517-R531 IonicContact OE1-NH2 2.74Å; E517-R531 PolarHBondContact OE1-NH2 2.91Å; E517-R531 IonicContact OE2-CZ 3.17Å; E517-R531 IonicContact OE2-NH1 3.95Å; E517-R531 IonicContact OE2-NH2 3.12Å; E517-R531 PolarHBondContact OE2-NH2 2.92Å; E517-Y532 VanDerWaalsContact OE1-CE2 3.3Å; E517-Y532 WeakPolarHBondContact OE1-CE2 3.3Å; E517-Y532 PolarHBondContact OE1-OH 3.18Å
518	R	92.6	Very high	95.2	Very high	146 Å²	146	51.5 Å²	51.5	55%	0.551	25%	0.247	S	C	*	.			trans	57.6	57.7	-178.8	-51.3	-179.6	-177.1	-165.1	-2.2	113.7	L515 A516 R520	L515-R518 PolarHBondContact O-N 2.87Å; A516-R518 PolarHBondContact O-N 2.96Å; R518-R520 PolarHBondContact O-N 3.19Å
519	P	94.2	Very high	95.1	Very high	11 Å²	11	48.9 Å²	48.9	7%	0.071	24%	0.236	C	C	.	.			trans	-57.9	136.6	175.3	19	-26.7	0	0	0	111.2	L466 S514 D524 L525	L466-P519 HydrophobicContact CD2-CB 4.29Å; L466-P519 HydrophobicContact CD2-CG 3.77Å; S514-P519 WeakPolarHBondContact O-CD 3.46Å; S514-P519 WeakPolarHBondContact O-CG 3.33Å; P519-D524 HydrophobicContact CB-CB 3.55Å; P519-L525 HydrophobicContact CB-CB 4.03Å; P519-L525 HydrophobicContact CG-CB 3.98Å; P519-L525 HydrophobicContact CG-CD1 3.72Å; P519-L525 HydrophobicContact CG-CG 4.46Å
520	R	91.8	Very high	95	Very high	160 Å²	160	51 Å²	51	60%	0.604	24%	0.244	S	C	*	.	S	Bend	trans	-82.3	-23.6	-174.5	-65.8	-167.9	159.1	156.9	-1.5	113.6	E465 L466 R518 D524	E465-R520 IonicContact OE1-NE 3.78Å; E465-R520 WeakPolarHBondContact OE2-CD 3.21Å; E465-R520 VanDerWaalsContact OE2-CG 3.27Å; E465-R520 WeakPolarHBondContact OE2-CG 3.44Å; E465-R520 IonicContact OE2-NE 3.46Å; E465-R520 PolarHBondContact OE2-NE 2.95Å; L466-R520 PolarHBondContact N-O 2.9Å; R518-R520 PolarHBondContact O-N 3.19Å; R520-D524 WeakPolarHBondContact CB-OD2 3.25Å; R520-D524 PolarHBondContact N-OD2 3.29Å
521	N	94.1	Very high	94.9	Very high	55 Å²	55	56.5 Å²	56.5	29%	0.294	27%	0.265	S	S	.	.	S	Bend	trans	-149.1	173	-176.8	65.3	72.9	0	0	0	109.7	H523 D524 L525	N521-H523 VanDerWaalsContact C-N 3.31Å; N521-H523 PolarHBondContact O-N 3.3Å; N521-H523 WeakPolarHBondContact OD1-CA 3.46Å; N521-H523 VanDerWaalsContact OD1-CB 3.23Å; N521-H523 WeakPolarHBondContact OD1-CB 3.48Å; N521-H523 PolarHBondContact OD1-N 3.42Å; N521-D524 PolarHBondContact ND2-OD1 3.02Å; N521-D524 PolarHBondContact ND2-OD2 3.05Å; N521-D524 PolarHBondContact O-N 3.37Å; N521-D524 PolarHBondContact OD1-N 3.12Å; N521-D524 PolarHBondContact OD1-OD1 3.31Å; N521-L525 PolarHBondContact O-N 3.41Å
522	F	95	Very high	94.7	Very high	9 Å²	9	58.9 Å²	58.9	4%	0.039	27%	0.274	C	S	.	.	H	α-helix	trans	-66.9	-25	-178.5	-77.1	-80.8	0	0	0	114.8	L466 E470 P473 E476 L477 L525 E526	L466-F522 HydrophobicContact CD1-CD1 4.24Å; L466-F522 HydrophobicContact CD1-CE1 3.63Å; L466-F522 HydrophobicContact CD1-CE2 4.01Å; L466-F522 HydrophobicContact CD1-CZ 3.49Å; L466-F522 VanDerWaalsContact CD1-CZ 3.49Å; L466-F522 WeakPolarHBondContact O-CE2 3.31Å; E470-F522 HydrophobicContact CB-CE2 4.1Å; E470-F522 HydrophobicContact CG-CD2 3.7Å; E470-F522 HydrophobicContact CG-CE2 3.46Å; E470-F522 VanDerWaalsContact CG-CE2 3.46Å; P473-F522 WeakPolarHBondContact O-CZ 3.44Å; E476-F522 HydrophobicContact CB-CE1 4.26Å; E476-F522 HydrophobicContact CB-CE2 4.31Å; E476-F522 HydrophobicContact CB-CZ 3.98Å; L477-F522 HydrophobicContact CB-CE1 3.89Å; L477-F522 HydrophobicContact CB-CZ 4.5Å; L477-F522 HydrophobicContact CD1-CE1 4.35Å; F522-L525 HydrophobicContact CD1-CD2 4.24Å; F522-E526 WeakPolarHBondContact O-CG 3.35Å; F522-E526 PolarHBondContact O-N 2.83Å
523	H	95.1	Very high	94.6	Very high	109 Å²	109	58.8 Å²	58.8	51%	0.505	27%	0.271	S	S	.	.	H	α-helix	trans	-72.1	-43.4	175.9	178.4	56.8	0	0	0	111.4	N521 L525 E526 E527	N521-H523 VanDerWaalsContact C-N 3.31Å; N521-H523 PolarHBondContact O-N 3.3Å; N521-H523 WeakPolarHBondContact OD1-CA 3.46Å; N521-H523 VanDerWaalsContact OD1-CB 3.23Å; N521-H523 WeakPolarHBondContact OD1-CB 3.48Å; N521-H523 PolarHBondContact OD1-N 3.42Å; H523-L525 PolarHBondContact O-N 2.99Å; H523-E526 WeakPolarHBondContact O-CB 3.21Å; H523-E526 PolarHBondContact O-N 3.37Å; H523-E526 VanDerWaalsContact O-N 3.12Å; H523-E527 IonicContact CE1-OE1 2.65Å; H523-E527 PolarHBondContact CE1-OE1 3.41Å; H523-E527 PolarHBondContact O-N 2.9Å
524	D	95.4	Very high	94.6	Very high	60 Å²	60	60.3 Å²	60.3	32%	0.321	28%	0.277	S	S	.	.	H	α-helix	trans	-57	-41	173.2	-56.4	-10.1	0	0	0	111	P519 R520 N521 E527 G528	P519-D524 HydrophobicContact CB-CB 3.55Å; R520-D524 WeakPolarHBondContact CB-OD2 3.25Å; R520-D524 PolarHBondContact N-OD2 3.29Å; N521-D524 PolarHBondContact ND2-OD1 3.02Å; N521-D524 PolarHBondContact ND2-OD2 3.05Å; N521-D524 PolarHBondContact O-N 3.37Å; N521-D524 PolarHBondContact OD1-N 3.12Å; N521-D524 PolarHBondContact OD1-OD1 3.31Å; D524-E527 PolarHBondContact O-N 2.86Å; D524-G528 PolarHBondContact O-N 3.44Å
525	L	96.1	Very high	94.5	Very high	1 Å²	1	63.3 Å²	63.3	1%	0.005	30%	0.302	C	S	.	.	H	α-helix	trans	-64.6	-42.1	176.6	-177.9	71.1	0	0	0	111.8	L466 L477 L515 P519 N521 F522 H523 G528 M529	L466-L525 HydrophobicContact CD2-CB 4.45Å; L466-L525 HydrophobicContact CD2-CD2 4.29Å; L477-L525 HydrophobicContact CD1-CD2 3.42Å; L477-L525 VanDerWaalsContact CD1-CD2 3.42Å; L515-L525 HydrophobicContact CD2-CD1 3.93Å; L515-L525 HydrophobicContact CG-CD1 4.27Å; P519-L525 HydrophobicContact CB-CB 4.03Å; P519-L525 HydrophobicContact CG-CB 3.98Å; P519-L525 HydrophobicContact CG-CD1 3.72Å; P519-L525 HydrophobicContact CG-CG 4.46Å; N521-L525 PolarHBondContact O-N 3.41Å; F522-L525 HydrophobicContact CD1-CD2 4.24Å; H523-L525 PolarHBondContact O-N 2.99Å; L525-G528 PolarHBondContact O-N 3.33Å; L525-M529 HydrophobicContact CD2-CE 4.3Å; L525-M529 HydrophobicContact CG-CE 3.95Å; L525-M529 HydrophobicContact CG-SD 4.44Å; L525-M529 WeakPolarHBondContact O-CG 3.09Å; L525-M529 PolarHBondContact O-N 3.18Å
526	E	96.1	Very high	94.4	Very high	66 Å²	66	67.4 Å²	67.4	31%	0.308	32%	0.321	S	S	.	.	H	α-helix	trans	-62.5	-40.8	175.1	-77.6	176.1	-168.5	0	0	112.8	R480 F522 H523 M529 K530	R480-E526 HydrophobicContact CB-CG 4.48Å; R480-E526 HydrophobicContact CG-CG 3.8Å; R480-E526 WeakPolarHBondContact CG-OE1 3.22Å; R480-E526 IonicContact NE-OE1 2.91Å; F522-E526 WeakPolarHBondContact O-CG 3.35Å; F522-E526 PolarHBondContact O-N 2.83Å; H523-E526 WeakPolarHBondContact O-CB 3.21Å; H523-E526 PolarHBondContact O-N 3.37Å; H523-E526 VanDerWaalsContact O-N 3.12Å; E526-M529 HydrophobicContact CG-CE 4.17Å; E526-M529 PolarHBondContact O-N 3.31Å; E526-K530 VanDerWaalsContact O-CG 3.25Å; E526-K530 WeakPolarHBondContact O-CG 3.48Å; E526-K530 PolarHBondContact O-N 2.73Å
527	E	95.5	Very high	94.4	Very high	82 Å²	82	63.9 Å²	63.9	38%	0.383	29%	0.292	S	S	.	.	H	α-helix	trans	-66.2	-39.6	174	-65.4	-51.7	133.9	0	0	111.6	H523 D524 K530 R531	H523-E527 IonicContact CE1-OE1 2.65Å; H523-E527 PolarHBondContact CE1-OE1 3.41Å; H523-E527 PolarHBondContact O-N 2.9Å; D524-E527 PolarHBondContact O-N 2.86Å; E527-K530 PolarHBondContact O-N 2.86Å; E527-K530 IonicContact OE1-NZ 2.8Å; E527-K530 PolarHBondContact OE1-NZ 2.92Å; E527-R531 PolarHBondContact O-N 3.15Å
528	G	94.7	Very high	94.2	Very high	3 Å²	3	61.4 Å²	61.4	3%	0.031	29%	0.285	C	S	.	.	H	α-helix	trans	-57	-49	170.2	0	0	0	0	0	112.4	S514 D524 L525 K530 R531 Y532	S514-G528 VanDerWaalsContact OG-C 3.29Å; D524-G528 PolarHBondContact O-N 3.44Å; L525-G528 PolarHBondContact O-N 3.33Å; G528-K530 VanDerWaalsContact C-N 3.28Å; G528-K530 PolarHBondContact O-N 3.43Å; G528-R531 PolarHBondContact O-N 2.95Å; G528-Y532 WeakPolarHBondContact O-CD2 3.4Å; G528-Y532 PolarHBondContact O-N 3Å
529	M	95.4	Very high	94.2	Very high	7 Å²	7	59.4 Å²	59.4	3%	0.034	28%	0.282	C	S	.	.	H	α-helix	trans	-67.2	-24.6	177.1	-70.1	-175.5	-61.5	0	0	113.1	R480 L484 R487 S514 L525 E526	R480-M529 HydrophobicContact CB-CE 3.87Å; L484-M529 HydrophobicContact CB-SD 4.49Å; L484-M529 HydrophobicContact CD2-CB 4.49Å; L484-M529 HydrophobicContact CD2-CG 4.17Å; L484-M529 HydrophobicContact CD2-SD 3.71Å; R487-M529 PolarHBondContact NH2-O 2.97Å; S514-M529 WeakPolarHBondContact OG-CA 3.27Å; S514-M529 WeakPolarHBondContact OG-CG 3.36Å; S514-M529 PolarHBondContact OG-N 2.73Å; L525-M529 HydrophobicContact CD2-CE 4.3Å; L525-M529 HydrophobicContact CG-CE 3.95Å; L525-M529 HydrophobicContact CG-SD 4.44Å; L525-M529 WeakPolarHBondContact O-CG 3.09Å; L525-M529 PolarHBondContact O-N 3.18Å; E526-M529 HydrophobicContact CG-CE 4.17Å; E526-M529 PolarHBondContact O-N 3.31Å
530	K	94.6	Very high	93.9	Very high	96 Å²	96	59.7 Å²	59.7	42%	0.417	28%	0.284	S	S	.	.	H	α-helix	trans	-74.1	-40.3	171.2	-73.4	164.2	-163.6	168.6	0	111.6	E526 E527 G528	E526-K530 VanDerWaalsContact O-CG 3.25Å; E526-K530 WeakPolarHBondContact O-CG 3.48Å; E526-K530 PolarHBondContact O-N 2.73Å; E527-K530 PolarHBondContact O-N 2.86Å; E527-K530 IonicContact OE1-NZ 2.8Å; E527-K530 PolarHBondContact OE1-NZ 2.92Å; G528-K530 VanDerWaalsContact C-N 3.28Å; G528-K530 PolarHBondContact O-N 3.43Å
531	R	94.5	Very high	93.8	Very high	115 Å²	115	55.5 Å²	55.5	43%	0.434	27%	0.268	S	S	.	.	H	α-helix	trans	-66	-49.9	175.6	-173.7	175.8	57.4	-106.5	-25.9	110.8	E517 E527 G528 N533 E536	E517-R531 IonicContact OE1-CZ 2.71Å; E517-R531 VanDerWaalsContact OE1-CZ 3.29Å; E517-R531 IonicContact OE1-NE 3.31Å; E517-R531 IonicContact OE1-NH2 2.74Å; E517-R531 PolarHBondContact OE1-NH2 2.91Å; E517-R531 IonicContact OE2-CZ 3.17Å; E517-R531 IonicContact OE2-NH1 3.95Å; E517-R531 IonicContact OE2-NH2 3.12Å; E517-R531 PolarHBondContact OE2-NH2 2.92Å; E527-R531 PolarHBondContact O-N 3.15Å; G528-R531 PolarHBondContact O-N 2.95Å; R531-N533 PolarHBondContact O-N 3.08Å; R531-N533 PolarHBondContact O-ND2 3.21Å; R531-E536 WeakPolarHBondContact O-CG 3.38Å
532	Y	94.1	Very high	93.3	Very high	51 Å²	51	57.3 Å²	57.3	20%	0.2	28%	0.275	C	S	.	.	S	Bend	trans	-77.1	61.8	173.9	-64.2	-61.1	0	0	0	112.1	Q510 R513 E517 G528	Q510-Y532 VanDerWaalsContact CG-O 3.25Å; Q510-Y532 WeakPolarHBondContact CG-O 3.35Å; Q510-Y532 PolarHBondContact NE2-O 3.06Å; R513-Y532 HydrophobicContact CB-CD1 4.18Å; R513-Y532 HydrophobicContact CB-CD2 3.81Å; R513-Y532 HydrophobicContact CB-CE1 4.12Å; R513-Y532 HydrophobicContact CB-CE2 3.71Å; R513-Y532 HydrophobicContact CB-CG 4.04Å; E517-Y532 VanDerWaalsContact OE1-CE2 3.3Å; E517-Y532 WeakPolarHBondContact OE1-CE2 3.3Å; E517-Y532 PolarHBondContact OE1-OH 3.18Å; G528-Y532 WeakPolarHBondContact O-CD2 3.4Å; G528-Y532 PolarHBondContact O-N 3Å
533	N	93.8	Very high	92.7	Very high	45 Å²	45	62.1 Å²	62.1	24%	0.241	29%	0.293	C	S	.	.			trans	-75.1	173.1	172.2	64.5	65.6	0	0	0	111.9	R531 A535 E536 I537	R531-N533 PolarHBondContact O-N 3.08Å; R531-N533 PolarHBondContact O-ND2 3.21Å; N533-A535 VanDerWaalsContact C-N 3.27Å; N533-A535 PolarHBondContact O-N 3.2Å; N533-A535 WeakPolarHBondContact OD1-CA 3.13Å; N533-A535 VanDerWaalsContact OD1-CB 3.31Å; N533-A535 WeakPolarHBondContact OD1-CB 3.42Å; N533-A535 PolarHBondContact OD1-N 3.33Å; N533-E536 PolarHBondContact O-N 3.32Å; N533-E536 PolarHBondContact OD1-N 3.24Å; N533-E536 VanDerWaalsContact OD1-N 3.14Å; N533-I537 WeakPolarHBondContact O-CG1 3.46Å; N533-I537 PolarHBondContact O-N 2.74Å; N533-I537 VanDerWaalsContact O-N 3.07Å
534	Y	94.7	Very high	91.9	Very high	77 Å²	77	59.9 Å²	59.9	30%	0.302	28%	0.283	S	S	.	.	H	α-helix	trans	-56.8	-36.2	-179.2	170.2	-122.1	0	0	0	113.7	E491 M492 V506 I537 S538	E491-Y534 HydrophobicContact CB-CD1 4.06Å; E491-Y534 HydrophobicContact CB-CG 4.27Å; E491-Y534 WeakPolarHBondContact OE2-CB 3.45Å; E491-Y534 PolarHBondContact OE2-N 3.01Å; M492-Y534 HydrophobicContact CG-CD1 4.06Å; M492-Y534 HydrophobicContact CG-CD2 3.64Å; M492-Y534 HydrophobicContact CG-CE1 4.07Å; M492-Y534 HydrophobicContact CG-CE2 3.68Å; M492-Y534 HydrophobicContact CG-CG 3.85Å; M492-Y534 HydrophobicContact SD-CD2 4.24Å; M492-Y534 HydrophobicContact SD-CE2 4.29Å; V506-Y534 HydrophobicContact CG1-CD2 4.03Å; V506-Y534 HydrophobicContact CG2-CD2 4.36Å; V506-Y534 HydrophobicContact CG2-CE2 4.45Å; Y534-I537 PolarHBondContact O-N 3.47Å; Y534-S538 WeakPolarHBondContact O-CB 3.13Å; Y534-S538 PolarHBondContact O-N 3.33Å
535	A	93.7	Very high	90.8	Very high	64 Å²	64	62 Å²	62	53%	0.529	29%	0.286	S	S	.	.	H	α-helix	trans	-67.6	-43.9	-179.5	0	0	0	0	0	111.6	N533 S538 E539	N533-A535 VanDerWaalsContact C-N 3.27Å; N533-A535 PolarHBondContact O-N 3.2Å; N533-A535 WeakPolarHBondContact OD1-CA 3.13Å; N533-A535 VanDerWaalsContact OD1-CB 3.31Å; N533-A535 WeakPolarHBondContact OD1-CB 3.42Å; N533-A535 PolarHBondContact OD1-N 3.33Å; A535-S538 PolarHBondContact O-N 3.31Å; A535-E539 WeakPolarHBondContact O-CB 3.35Å; A535-E539 PolarHBondContact O-N 3.25Å
536	E	93.5	Very high	89.3	Confident	90 Å²	90	64.2 Å²	64.2	42%	0.421	30%	0.301	S	S	.	.	H	α-helix	trans	-64.4	-40.4	176	-72.3	-71	163.6	0	0	112.5	R531 N533 S540	R531-E536 WeakPolarHBondContact O-CG 3.38Å; N533-E536 PolarHBondContact O-N 3.32Å; N533-E536 PolarHBondContact OD1-N 3.24Å; N533-E536 VanDerWaalsContact OD1-N 3.14Å; E536-S540 WeakPolarHBondContact O-CB 3.49Å; E536-S540 PolarHBondContact O-N 2.8Å
537	I	93.1	Very high	87.7	Confident	0 Å²	0	65.9 Å²	65.9	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-66.1	-44.8	174	-62.4	-65.6	0	0	0	110.8	V506 E509 Q510 N533 Y534 E539 S540 W541	V506-I537 HydrophobicContact CG1-CB 4.42Å; V506-I537 HydrophobicContact CG1-CG2 4.13Å; E509-I537 HydrophobicContact CB-CD1 4.3Å; E509-I537 HydrophobicContact CB-CG2 4.28Å; E509-I537 HydrophobicContact CG-CD1 3.84Å; E509-I537 HydrophobicContact CG-CG2 4.13Å; Q510-I537 HydrophobicContact CG-CD1 4.01Å; Q510-I537 HydrophobicContact CG-CG1 3.58Å; N533-I537 WeakPolarHBondContact O-CG1 3.46Å; N533-I537 PolarHBondContact O-N 2.74Å; N533-I537 VanDerWaalsContact O-N 3.07Å; Y534-I537 PolarHBondContact O-N 3.47Å; I537-E539 VanDerWaalsContact C-N 3.34Å; I537-E539 PolarHBondContact O-N 3.2Å; I537-S540 PolarHBondContact O-N 3.48Å; I537-W541 HydrophobicContact CG2-CD2 3.96Å; I537-W541 HydrophobicContact CG2-CE3 4.27Å; I537-W541 HydrophobicContact CG2-CG 4.42Å; I537-W541 HydrophobicContact CG2-CH2 4.47Å; I537-W541 HydrophobicContact CG2-CZ2 4.17Å; I537-W541 WeakPolarHBondContact O-CB 3.5Å; I537-W541 PolarHBondContact O-N 3.42Å
538	S	91.2	Very high	86	Confident	42 Å²	42	67.9 Å²	67.9	29%	0.294	32%	0.32	S	S	.	.	H	α-helix	trans	-63.8	-40.3	177.9	-167.5	0	0	0	0	111.2	Y534 A535 E542	Y534-S538 WeakPolarHBondContact O-CB 3.13Å; Y534-S538 PolarHBondContact O-N 3.33Å; A535-S538 PolarHBondContact O-N 3.31Å; S538-E542 VanDerWaalsContact O-CB 3.22Å; S538-E542 WeakPolarHBondContact O-CB 3.3Å; S538-E542 PolarHBondContact O-N 3.48Å
539	E	91.8	Very high	83.8	Confident	105 Å²	105	72.1 Å²	72.1	49%	0.491	34%	0.339	S	S	.	.	H	α-helix	trans	-69	-38.8	175.3	-163.5	-170.1	148.4	0	0	111.3	A535 I537 E542 R543	A535-E539 WeakPolarHBondContact O-CB 3.35Å; A535-E539 PolarHBondContact O-N 3.25Å; I537-E539 VanDerWaalsContact C-N 3.34Å; I537-E539 PolarHBondContact O-N 3.2Å; E539-E542 CarbonylContact O-C 3.59Å; E539-E542 PolarHBondContact O-N 3.29Å; E539-R543 WeakPolarHBondContact O-CB 3.39Å; E539-R543 PolarHBondContact O-N 2.64Å; E539-R543 IonicContact OE1-CZ 2.61Å; E539-R543 IonicContact OE1-NH2 3.7Å; E539-R543 PolarHBondContact OE1-NH2 3Å; E539-R543 IonicContact OE2-NH2 3.45Å
540	S	88.4	Confident	81.4	Confident	16 Å²	16	75.9 Å²	75.9	11%	0.112	36%	0.356	C	S	.	.	H	α-helix	trans	-68.4	-39.7	175.5	-160.5	0	0	0	0	112.6	R513 E536 I537 E542 R543 E544	R513-S540 PolarHBondContact NH1-OG 2.87Å; E536-S540 WeakPolarHBondContact O-CB 3.49Å; E536-S540 PolarHBondContact O-N 2.8Å; I537-S540 PolarHBondContact O-N 3.48Å; S540-E542 VanDerWaalsContact C-N 3.34Å; S540-R543 CarbonylContact O-C 3.49Å; S540-R543 PolarHBondContact O-N 3.28Å; S540-E544 VanDerWaalsContact O-CB 3.26Å; S540-E544 WeakPolarHBondContact O-CB 3.35Å; S540-E544 VanDerWaalsContact O-CG 3.23Å; S540-E544 WeakPolarHBondContact O-CG 3.49Å; S540-E544 PolarHBondContact O-N 3.39Å; S540-E544 PolarHBondContact OG-OE1 3.34Å
541	W	88.8	Confident	79	Confident	73 Å²	73	72.7 Å²	72.7	28%	0.277	35%	0.346	S	S	.	.	H	α-helix	trans	-68.1	-33.9	172	-76.3	-6	0	0	0	112.1	A505 V506 E509 I537 R543 R545	A505-W541 HydrophobicContact CB-CH2 4.33Å; V506-W541 HydrophobicContact CB-CH2 4.41Å; V506-W541 HydrophobicContact CG2-CH2 3.76Å; V506-W541 HydrophobicContact CG2-CZ3 3.64Å; E509-W541 HydrophobicContact CB-CZ2 3.81Å; E509-W541 HydrophobicContact CG-CZ2 4.09Å; I537-W541 HydrophobicContact CG2-CD2 3.96Å; I537-W541 HydrophobicContact CG2-CE3 4.27Å; I537-W541 HydrophobicContact CG2-CG 4.42Å; I537-W541 HydrophobicContact CG2-CH2 4.47Å; I537-W541 HydrophobicContact CG2-CZ2 4.17Å; I537-W541 WeakPolarHBondContact O-CB 3.5Å; I537-W541 PolarHBondContact O-N 3.42Å; W541-R543 VanDerWaalsContact C-N 3.33Å; W541-R545 WeakPolarHBondContact O-CA 3.49Å; W541-R545 WeakPolarHBondContact O-CB 3.27Å; W541-R545 PolarHBondContact O-N 3.2Å
542	E	83.2	Confident	76.4	Confident	93 Å²	93	72.1 Å²	72.1	44%	0.435	35%	0.348	S	S	.	.	H	α-helix	trans	-67.6	-36.6	171.9	-160.1	63.9	-148.7	0	0	110.8	S538 E539 S540 R545 S546	S538-E542 VanDerWaalsContact O-CB 3.22Å; S538-E542 WeakPolarHBondContact O-CB 3.3Å; S538-E542 PolarHBondContact O-N 3.48Å; E539-E542 CarbonylContact O-C 3.59Å; E539-E542 PolarHBondContact O-N 3.29Å; S540-E542 VanDerWaalsContact C-N 3.34Å; E542-R545 VanDerWaalsContact CD-NH1 3.33Å; E542-R545 IonicContact OE1-NH1 2.68Å; E542-R545 PolarHBondContact OE1-NH1 2.88Å; E542-R545 IonicContact OE2-CZ 2.71Å; E542-R545 IonicContact OE2-NH1 3.73Å; E542-R545 PolarHBondContact OE2-NH1 3.49Å; E542-S546 WeakPolarHBondContact O-CA 3.48Å; E542-S546 WeakPolarHBondContact O-CB 3.33Å; E542-S546 PolarHBondContact O-N 3.4Å; E542-S546 PolarHBondContact O-OG 3.21Å
543	R	83.3	Confident	73.8	Confident	110 Å²	110	73.2 Å²	73.2	42%	0.415	35%	0.354	S	S	.	.	H	α-helix	trans	-75.1	-37.9	177.1	-164.5	-175.5	-53.7	112.1	-5.1	112.2	E539 S540 W541 S546 L547	E539-R543 WeakPolarHBondContact O-CB 3.39Å; E539-R543 PolarHBondContact O-N 2.64Å; E539-R543 IonicContact OE1-CZ 2.61Å; E539-R543 IonicContact OE1-NH2 3.7Å; E539-R543 PolarHBondContact OE1-NH2 3Å; E539-R543 IonicContact OE2-NH2 3.45Å; S540-R543 CarbonylContact O-C 3.49Å; S540-R543 PolarHBondContact O-N 3.28Å; W541-R543 VanDerWaalsContact C-N 3.33Å; R543-S546 CarbonylContact O-C 3.56Å; R543-S546 PolarHBondContact O-N 3.08Å; R543-L547 HydrophobicContact CG-CD1 4.42Å; R543-L547 VanDerWaalsContact O-CB 3.28Å; R543-L547 WeakPolarHBondContact O-CB 3.33Å; R543-L547 WeakPolarHBondContact O-CG 3.39Å; R543-L547 PolarHBondContact O-N 2.97Å
544	E	77.7	Confident	71.3	Confident	62 Å²	62	74.5 Å²	74.5	29%	0.29	36%	0.358	S	S	.	.	H	α-helix	trans	-74.3	-36.1	174.3	-75.4	159.8	-129.6	0	0	111.5	R513 S540 L547 K548	R513-E544 IonicContact CZ-OE1 2.71Å; R513-E544 IonicContact NH1-OE1 3.08Å; R513-E544 IonicContact NH2-OE1 3.16Å; R513-E544 PolarHBondContact NH2-OE1 2.94Å; R513-E544 IonicContact NH2-OE2 2.73Å; S540-E544 VanDerWaalsContact O-CB 3.26Å; S540-E544 WeakPolarHBondContact O-CB 3.35Å; S540-E544 VanDerWaalsContact O-CG 3.23Å; S540-E544 WeakPolarHBondContact O-CG 3.49Å; S540-E544 PolarHBondContact O-N 3.39Å; S540-E544 PolarHBondContact OG-OE1 3.34Å; E544-L547 PolarHBondContact O-N 3.25Å; E544-K548 VanDerWaalsContact O-CB 3.24Å; E544-K548 WeakPolarHBondContact O-CB 3.39Å; E544-K548 VanDerWaalsContact O-CG 3.25Å; E544-K548 WeakPolarHBondContact O-CG 3.31Å; E544-K548 PolarHBondContact O-N 2.94Å
545	R	71.9	Confident	68.6	Low	105 Å²	105	71.5 Å²	71.5	40%	0.396	35%	0.348	S	S	.	.	H	α-helix	trans	-66.6	-42.2	167.4	-170.5	-175.5	-49	111.3	11.6	109.4	W541 E542 L547 K548 E549	W541-R545 WeakPolarHBondContact O-CA 3.49Å; W541-R545 WeakPolarHBondContact O-CB 3.27Å; W541-R545 PolarHBondContact O-N 3.2Å; E542-R545 VanDerWaalsContact CD-NH1 3.33Å; E542-R545 IonicContact OE1-NH1 2.68Å; E542-R545 PolarHBondContact OE1-NH1 2.88Å; E542-R545 IonicContact OE2-CZ 2.71Å; E542-R545 IonicContact OE2-NH1 3.73Å; E542-R545 PolarHBondContact OE2-NH1 3.49Å; R545-L547 VanDerWaalsContact C-N 3.31Å; R545-L547 PolarHBondContact O-N 2.97Å; R545-K548 CarbonylContact O-C 3.6Å; R545-K548 PolarHBondContact O-N 3.2Å; R545-E549 WeakPolarHBondContact CD-OE1 3.31Å; R545-E549 HydrophobicContact CG-CG 4.06Å; R545-E549 VanDerWaalsContact CG-OE1 3.23Å; R545-E549 WeakPolarHBondContact CG-OE1 3.25Å; R545-E549 WeakPolarHBondContact O-CA 3.35Å; R545-E549 WeakPolarHBondContact O-CB 3.39Å; R545-E549 VanDerWaalsContact O-CG 3.28Å; R545-E549 WeakPolarHBondContact O-CG 3.43Å; R545-E549 PolarHBondContact O-N 3.44Å
546	S	65	Low	66	Low	46 Å²	46	71.8 Å²	71.8	32%	0.322	34%	0.344	S	S	.	.	H	α-helix	trans	-64.3	-34.5	173.6	-64	0	0	0	0	111.6	E542 R543 E549 E550	E542-S546 WeakPolarHBondContact O-CA 3.48Å; E542-S546 WeakPolarHBondContact O-CB 3.33Å; E542-S546 PolarHBondContact O-N 3.4Å; E542-S546 PolarHBondContact O-OG 3.21Å; R543-S546 CarbonylContact O-C 3.56Å; R543-S546 PolarHBondContact O-N 3.08Å; S546-E549 CarbonylContact O-C 3.47Å; S546-E550 WeakPolarHBondContact O-CA 3.47Å; S546-E550 WeakPolarHBondContact O-CB 3.35Å; S546-E550 WeakPolarHBondContact O-CG 3.25Å; S546-E550 PolarHBondContact O-N 2.68Å
547	L	63.4	Low	63.5	Low	101 Å²	101	71.5 Å²	71.5	53%	0.529	34%	0.343	S	S	.	.	H	α-helix	trans	-76.5	-30.6	175.1	-75.8	166.9	0	0	0	112.6	R543 E544 R545 S551	R543-L547 HydrophobicContact CG-CD1 4.42Å; R543-L547 VanDerWaalsContact O-CB 3.28Å; R543-L547 WeakPolarHBondContact O-CB 3.33Å; R543-L547 WeakPolarHBondContact O-CG 3.39Å; R543-L547 PolarHBondContact O-N 2.97Å; E544-L547 PolarHBondContact O-N 3.25Å; R545-L547 VanDerWaalsContact C-N 3.31Å; R545-L547 PolarHBondContact O-N 2.97Å; L547-S551 WeakPolarHBondContact O-CB 3.31Å; L547-S551 PolarHBondContact O-N 3.07Å; L547-S551 PolarHBondContact O-OG 3.26Å
548	K	58.7	Low	61	Low	125 Å²	125	79.2 Å²	79.2	54%	0.543	38%	0.383	S	S	.	.	H	α-helix	trans	-78.6	-31.8	171.3	-74.5	172.8	-177.2	170	0	112.2	E544 R545 S551 H552	E544-K548 VanDerWaalsContact O-CB 3.24Å; E544-K548 WeakPolarHBondContact O-CB 3.39Å; E544-K548 VanDerWaalsContact O-CG 3.25Å; E544-K548 WeakPolarHBondContact O-CG 3.31Å; E544-K548 PolarHBondContact O-N 2.94Å; R545-K548 CarbonylContact O-C 3.6Å; R545-K548 PolarHBondContact O-N 3.2Å; K548-S551 WeakPolarHBondContact CA-OG 3.43Å; K548-S551 PolarHBondContact O-N 3.42Å; K548-S551 PolarHBondContact O-OG 2.93Å; K548-H552 WeakPolarHBondContact O-CB 3.49Å; K548-H552 PolarHBondContact O-CD2 3.31Å; K548-H552 PolarHBondContact O-N 3.23Å
549	E	49.8	Very low	58.4	Low	92 Å²	92	85.3 Å²	85.3	43%	0.43	40%	0.404	S	S	.	.	H	α-helix	trans	-82.7	-19.5	170.8	-72.5	-178.7	-167.5	0	0	110.9	R545 S546 F553 Q554	R545-E549 WeakPolarHBondContact CD-OE1 3.31Å; R545-E549 HydrophobicContact CG-CG 4.06Å; R545-E549 VanDerWaalsContact CG-OE1 3.23Å; R545-E549 WeakPolarHBondContact CG-OE1 3.25Å; R545-E549 WeakPolarHBondContact O-CA 3.35Å; R545-E549 WeakPolarHBondContact O-CB 3.39Å; R545-E549 VanDerWaalsContact O-CG 3.28Å; R545-E549 WeakPolarHBondContact O-CG 3.43Å; R545-E549 PolarHBondContact O-N 3.44Å; S546-E549 CarbonylContact O-C 3.47Å; E549-F553 HydrophobicContact CB-CD2 4.09Å; E549-F553 HydrophobicContact CG-CD2 4.35Å; E549-F553 HydrophobicContact CG-CE2 4.33Å; E549-F553 CarbonylContact O-C 3.5Å; E549-F553 WeakPolarHBondContact O-CA 3.46Å; E549-F553 WeakPolarHBondContact O-CB 3.21Å; E549-F553 PolarHBondContact O-N 3.4Å; E549-Q554 PolarHBondContact O-N 3.44Å; E549-Q554 VanDerWaalsContact O-N 3.11Å
550	E	44.1	Very low	56	Low	86 Å²	86	81.9 Å²	81.9	40%	0.402	39%	0.388	S	S	.	.	H	α-helix	trans	-77.3	-34.1	163.1	-83.2	-176.7	-148.1	0	0	109.9	S546 F553 Q554	S546-E550 WeakPolarHBondContact O-CA 3.47Å; S546-E550 WeakPolarHBondContact O-CB 3.35Å; S546-E550 WeakPolarHBondContact O-CG 3.25Å; S546-E550 PolarHBondContact O-N 2.68Å; E550-F553 CarbonylContact O-C 3.5Å; E550-Q554 HydrophobicContact CB-CG 3.6Å; E550-Q554 HydrophobicContact CG-CG 3.7Å; E550-Q554 WeakPolarHBondContact O-CB 3.43Å; E550-Q554 WeakPolarHBondContact O-CG 3.49Å; E550-Q554 PolarHBondContact O-N 3.06Å; E550-Q554 PolarHBondContact OE2-NE2 3.04Å
551	S	43.7	Very low	53.9	Low	28 Å²	28	84.8 Å²	84.8	20%	0.196	41%	0.408	C	S	.	.	H	α-helix	trans	-81.6	-30.8	175.8	72.1	0	0	0	0	114.4	L547 K548 L698	L547-S551 WeakPolarHBondContact O-CB 3.31Å; L547-S551 PolarHBondContact O-N 3.07Å; L547-S551 PolarHBondContact O-OG 3.26Å; K548-S551 WeakPolarHBondContact CA-OG 3.43Å; K548-S551 PolarHBondContact O-N 3.42Å; K548-S551 PolarHBondContact O-OG 2.93Å; S551-L698 WeakPolarHBondContact O-CD1 3.44Å
552	H	40	Very low	51.7	Low	104 Å²	104	86.1 Å²	86.1	48%	0.481	42%	0.416	S	S	.	.	H	α-helix	trans	-90.9	-34.2	175.1	-64.3	-51.3	0	0	0	111.9	K548	K548-H552 WeakPolarHBondContact O-CB 3.49Å; K548-H552 PolarHBondContact O-CD2 3.31Å; K548-H552 PolarHBondContact O-N 3.23Å
553	F	40	Very low	50.1	Low	74 Å²	74	82.2 Å²	82.2	33%	0.325	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.5	-115.5	155.5	-39.5	-59.4	0	0	0	109.9	E549 E550 T555 Q557 R705	E549-F553 HydrophobicContact CB-CD2 4.09Å; E549-F553 HydrophobicContact CG-CD2 4.35Å; E549-F553 HydrophobicContact CG-CE2 4.33Å; E549-F553 CarbonylContact O-C 3.5Å; E549-F553 WeakPolarHBondContact O-CA 3.46Å; E549-F553 WeakPolarHBondContact O-CB 3.21Å; E549-F553 PolarHBondContact O-N 3.4Å; E550-F553 CarbonylContact O-C 3.5Å; F553-T555 WeakPolarHBondContact CB-O 3.35Å; F553-T555 PolarHBondContact O-N 3.27Å; F553-Q557 VanDerWaalsContact CE1-NE2 3.31Å; F553-R705 PolarHBondContact O-NH1 2.94Å; F553-R705 PolarHBondContact O-NH2 3.33Å
554	Q	41	Very low	48.5	Very low	72 Å²	72	78 Å²	78	34%	0.336	38%	0.384	S	S	.	.			trans	53.1	13.9	-140.6	-86.4	174.1	13.2	0	0	112.6	E549 E550 P556 M702 R705	E549-Q554 PolarHBondContact O-N 3.44Å; E549-Q554 VanDerWaalsContact O-N 3.11Å; E550-Q554 HydrophobicContact CB-CG 3.6Å; E550-Q554 HydrophobicContact CG-CG 3.7Å; E550-Q554 WeakPolarHBondContact O-CB 3.43Å; E550-Q554 WeakPolarHBondContact O-CG 3.49Å; E550-Q554 PolarHBondContact O-N 3.06Å; E550-Q554 PolarHBondContact OE2-NE2 3.04Å; Q554-P556 WeakPolarHBondContact O-CD 3.47Å; Q554-M702 HydrophobicContact CB-CG 4.37Å; Q554-M702 PolarHBondContact OE1-SD 3.26Å; Q554-R705 WeakPolarHBondContact O-CD 3.41Å
555	T	38.4	Very low	47.2	Very low	14 Å²	14	81.6 Å²	81.6	9%	0.086	40%	0.399	C	S	.	.	S	Bend	trans	-79	113.7	133.8	5.9	0	0	0	0	104.9	F553 Q557 L564 R705	F553-T555 WeakPolarHBondContact CB-O 3.35Å; F553-T555 PolarHBondContact O-N 3.27Å; T555-Q557 PolarHBondContact O-N 3.26Å; T555-L564 HydrophobicContact CG2-CD1 3.57Å; T555-L564 HydrophobicContact CG2-CD2 3.71Å; T555-L564 HydrophobicContact CG2-CG 3.35Å; T555-R705 HydrophobicContact CG2-CG 3.76Å; T555-R705 VanDerWaalsContact N-NE 3.2Å; T555-R705 VanDerWaalsContact OG1-CZ 3.3Å; T555-R705 PolarHBondContact OG1-NE 3.35Å; T555-R705 PolarHBondContact OG1-NH2 2.98Å
556	P	38.8	Very low	46.2	Very low	69 Å²	69	77.2 Å²	77.2	45%	0.448	38%	0.384	S	S	.	.			trans	-65.6	89.8	168.9	-15.7	31.2	0	0	0	107.8	Q554 I558 F559 F560	Q554-P556 WeakPolarHBondContact O-CD 3.47Å; P556-I558 PolarHBondContact O-N 2.91Å; P556-F559 PolarHBondContact O-N 3.42Å; P556-F559 VanDerWaalsContact O-N 3.14Å; P556-F560 HydrophobicContact CB-CD2 4.18Å; P556-F560 HydrophobicContact CG-CD2 4.16Å; P556-F560 PolarHBondContact O-N 3.41Å
557	Q	40.5	Very low	45.6	Very low	84 Å²	84	77.3 Å²	77.3	39%	0.393	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-10.8	-174.6	-96.8	-169.6	34.1	0	0	113.5	F553 T555 L564	F553-Q557 VanDerWaalsContact CE1-NE2 3.31Å; T555-Q557 PolarHBondContact O-N 3.26Å; Q557-L564 HydrophobicContact CB-CD1 4.19Å; Q557-L564 HydrophobicContact CG-CD1 3.45Å; Q557-L564 VanDerWaalsContact CG-CD1 3.45Å; Q557-L564 HydrophobicContact CG-CD2 3.51Å; Q557-L564 HydrophobicContact CG-CG 4.08Å
558	I	42.1	Very low	45.1	Very low	163 Å²	163	82 Å²	82	84%	0.836	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.2	-11.7	-179.1	-58.3	-178.2	0	0	0	112.6	P556	P556-I558 PolarHBondContact O-N 2.91Å
559	F	36.2	Very low	44.9	Very low	170 Å²	170	83.9 Å²	83.9	75%	0.746	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114	-38.2	169.6	-92.3	-96.1	0	0	0	113.6	P556 S561	P556-F559 PolarHBondContact O-N 3.42Å; P556-F559 VanDerWaalsContact O-N 3.14Å; F559-S561 PolarHBondContact O-N 2.97Å
560	F	40.6	Very low	44.9	Very low	33 Å²	33	81.7 Å²	81.7	15%	0.145	40%	0.404	C	S	.	.			trans	-96.3	38.9	-167.4	-77.9	-106.6	0	0	0	114.8	P556 K562 S563 L564 L709 E712	P556-F560 HydrophobicContact CB-CD2 4.18Å; P556-F560 HydrophobicContact CG-CD2 4.16Å; P556-F560 PolarHBondContact O-N 3.41Å; F560-K562 PolarHBondContact O-N 2.8Å; F560-K562 VanDerWaalsContact O-N 3.07Å; F560-S563 PolarHBondContact O-N 3.19Å; F560-L564 HydrophobicContact CB-CD1 4.24Å; F560-L564 WeakPolarHBondContact O-CD1 3.39Å; F560-L564 PolarHBondContact O-N 3.39Å; F560-L564 VanDerWaalsContact O-N 3.13Å; F560-L709 HydrophobicContact CE1-CD2 3.51Å; F560-L709 HydrophobicContact CE1-CG 4.27Å; F560-L709 HydrophobicContact CE2-CD2 4.45Å; F560-L709 HydrophobicContact CZ-CD2 3.31Å; F560-L709 HydrophobicContact CZ-CG 4.48Å; F560-E712 HydrophobicContact CD1-CG 3.62Å; F560-E712 WeakPolarHBondContact CD1-OE1 3.47Å; F560-E712 HydrophobicContact CE1-CG 3.22Å; F560-E712 VanDerWaalsContact CE1-OE1 3.24Å; F560-E712 WeakPolarHBondContact CE1-OE1 3.32Å; F560-E712 HydrophobicContact CZ-CG 3.93Å; F560-E712 VanDerWaalsContact CZ-OE1 3.31Å; F560-E712 WeakPolarHBondContact CZ-OE1 3.44Å; F560-E712 WeakPolarHBondContact CZ-OE2 3.46Å
561	S	44.6	Very low	45.5	Very low	77 Å²	77	78.7 Å²	78.7	54%	0.538	39%	0.39	S	S	.	.	H	α-helix	trans	-62.3	-21.1	-167.7	73.2	0	0	0	0	115.7	F559	F559-S561 PolarHBondContact O-N 2.97Å
562	K	43	Very low	46.1	Very low	100 Å²	100	79 Å²	79	44%	0.435	39%	0.392	S	S	.	.	H	α-helix	trans	-82.5	-52.8	172.9	-80.8	-164.3	174.3	-154.6	0	112.7	F560 L564 K565 C566 E715	F560-K562 PolarHBondContact O-N 2.8Å; F560-K562 VanDerWaalsContact O-N 3.07Å; K562-L564 PolarHBondContact O-N 2.76Å; K562-K565 PolarHBondContact O-N 3.12Å; K562-C566 PolarHBondContact O-N 3.45Å; K562-C566 PolarHBondContact O-SG 3.1Å; K562-E715 IonicContact NZ-OE1 2.67Å; K562-E715 PolarHBondContact NZ-OE1 3.35Å
563	S	49	Very low	47.1	Very low	11 Å²	11	75.5 Å²	75.5	8%	0.077	38%	0.384	C	S	.	.	H	α-helix	trans	-59.6	-32.9	-179.8	-50	0	0	0	0	112.4	F560 K565 C566 V567	F560-S563 PolarHBondContact O-N 3.19Å; S563-K565 PolarHBondContact O-N 3.11Å; S563-C566 VanDerWaalsContact O-CB 3.31Å; S563-C566 WeakPolarHBondContact O-CB 3.24Å; S563-C566 PolarHBondContact O-N 2.61Å; S563-V567 PolarHBondContact O-N 2.88Å
564	L	49.2	Very low	48.3	Very low	21 Å²	21	72.3 Å²	72.3	11%	0.11	37%	0.37	C	S	.	.	H	α-helix	trans	-60.1	-40.4	171.7	-98.1	131.9	0	0	0	115	T555 Q557 F560 K562 C566 V567 R568	T555-L564 HydrophobicContact CG2-CD1 3.57Å; T555-L564 HydrophobicContact CG2-CD2 3.71Å; T555-L564 HydrophobicContact CG2-CG 3.35Å; Q557-L564 HydrophobicContact CB-CD1 4.19Å; Q557-L564 HydrophobicContact CG-CD1 3.45Å; Q557-L564 VanDerWaalsContact CG-CD1 3.45Å; Q557-L564 HydrophobicContact CG-CD2 3.51Å; Q557-L564 HydrophobicContact CG-CG 4.08Å; F560-L564 HydrophobicContact CB-CD1 4.24Å; F560-L564 WeakPolarHBondContact O-CD1 3.39Å; F560-L564 PolarHBondContact O-N 3.39Å; F560-L564 VanDerWaalsContact O-N 3.13Å; K562-L564 PolarHBondContact O-N 2.76Å; L564-C566 PolarHBondContact O-N 3.35Å; L564-V567 PolarHBondContact O-N 3.41Å; L564-R568 VanDerWaalsContact O-CB 3.24Å; L564-R568 WeakPolarHBondContact O-CB 3.23Å; L564-R568 PolarHBondContact O-N 3.5Å
565	K	51	Low	49.6	Very low	139 Å²	139	77.2 Å²	77.2	60%	0.604	39%	0.386	S	S	*	.	H	α-helix	trans	-65.2	-31.3	177	-75.4	175.2	177.6	171.8	0	110.8	K562 S563 K569	K562-K565 PolarHBondContact O-N 3.12Å; S563-K565 PolarHBondContact O-N 3.11Å; K565-K569 WeakPolarHBondContact O-CB 3.18Å; K565-K569 VanDerWaalsContact O-CG 3.26Å; K565-K569 WeakPolarHBondContact O-CG 3.4Å; K565-K569 PolarHBondContact O-N 2.85Å
566	C	50.1	Low	51.2	Low	13 Å²	13	82 Å²	82	9%	0.088	41%	0.407	C	S	.	.	H	α-helix	trans	-66.6	-48.4	177.9	-56.9	0	0	0	0	111.6	K562 S563 L564 G570 L571 V716	K562-C566 PolarHBondContact O-N 3.45Å; K562-C566 PolarHBondContact O-SG 3.1Å; S563-C566 VanDerWaalsContact O-CB 3.31Å; S563-C566 WeakPolarHBondContact O-CB 3.24Å; S563-C566 PolarHBondContact O-N 2.61Å; L564-C566 PolarHBondContact O-N 3.35Å; C566-G570 PolarHBondContact O-N 2.91Å; C566-L571 HydrophobicContact CB-CD1 3.66Å; C566-L571 HydrophobicContact CB-CG 4.44Å; C566-L571 WeakPolarHBondContact O-CG 3.44Å; C566-L571 PolarHBondContact O-N 3.43Å; C566-V716 HydrophobicContact CB-CB 4.3Å; C566-V716 HydrophobicContact CB-CG2 4.29Å
567	V	53.6	Low	53.1	Low	47 Å²	47	81 Å²	81	29%	0.285	40%	0.398	S	S	.	.	H	α-helix	trans	-64.7	-46.9	175.1	-176.9	0	0	0	0	111.2	S563 L564 K569 G570 L704 L708	S563-V567 PolarHBondContact O-N 2.88Å; L564-V567 PolarHBondContact O-N 3.41Å; V567-K569 PolarHBondContact O-N 3.29Å; V567-G570 PolarHBondContact O-N 3.24Å; V567-G570 VanDerWaalsContact O-N 3.13Å; V567-L704 HydrophobicContact CG1-CD2 3.93Å; V567-L704 HydrophobicContact CG2-CD2 3.82Å; V567-L704 HydrophobicContact CG2-CG 4.3Å; V567-L708 HydrophobicContact CG2-CD1 3.56Å
568	R	53.7	Low	54.9	Low	201 Å²	201	79 Å²	79	76%	0.758	39%	0.388	S	S	*	.	H	α-helix	trans	-75.1	-20.4	-173.7	-157.9	171.4	-172.5	160.5	1.9	114.2	L564	L564-R568 VanDerWaalsContact O-CB 3.24Å; L564-R568 WeakPolarHBondContact O-CB 3.23Å; L564-R568 PolarHBondContact O-N 3.5Å
569	K	52.5	Low	56.8	Low	164 Å²	164	75.5 Å²	75.5	71%	0.713	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-7.3	169.3	-75	-174.9	173.8	-171.1	0	113.6	K565 V567 L571	K565-K569 WeakPolarHBondContact O-CB 3.18Å; K565-K569 VanDerWaalsContact O-CG 3.26Å; K565-K569 WeakPolarHBondContact O-CG 3.4Å; K565-K569 PolarHBondContact O-N 2.85Å; V567-K569 PolarHBondContact O-N 3.29Å; K569-L571 VanDerWaalsContact C-N 3.34Å; K569-L571 HydrophobicContact CB-CD2 4Å; K569-L571 HydrophobicContact CB-CG 4.31Å; K569-L571 HydrophobicContact CD-CD2 4.5Å; K569-L571 PolarHBondContact O-N 3.04Å
570	G	49.9	Very low	59.2	Low	46 Å²	46	74.8 Å²	74.8	47%	0.474	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	63	36.9	-177.6	0	0	0	0	0	113.6	C566 V567	C566-G570 PolarHBondContact O-N 2.91Å; V567-G570 PolarHBondContact O-N 3.24Å; V567-G570 VanDerWaalsContact O-N 3.13Å
571	L	57.7	Low	61.4	Low	22 Å²	22	73.5 Å²	73.5	12%	0.115	36%	0.362	C	S	.	.			trans	-55.5	142.6	176.6	-54.9	-178.6	0	0	0	110.1	C566 K569 G573 C574 R575 V716 A718	C566-L571 HydrophobicContact CB-CD1 3.66Å; C566-L571 HydrophobicContact CB-CG 4.44Å; C566-L571 WeakPolarHBondContact O-CG 3.44Å; C566-L571 PolarHBondContact O-N 3.43Å; K569-L571 VanDerWaalsContact C-N 3.34Å; K569-L571 HydrophobicContact CB-CD2 4Å; K569-L571 HydrophobicContact CB-CG 4.31Å; K569-L571 HydrophobicContact CD-CD2 4.5Å; K569-L571 PolarHBondContact O-N 3.04Å; L571-G573 VanDerWaalsContact C-N 3.34Å; L571-G573 PolarHBondContact O-N 2.86Å; L571-C574 PolarHBondContact O-N 2.83Å; L571-R575 PolarHBondContact O-N 3.02Å; L571-R575 VanDerWaalsContact O-N 3.15Å; L571-V716 HydrophobicContact CD1-CB 3.89Å; L571-V716 HydrophobicContact CD1-CG1 3.96Å; L571-V716 WeakPolarHBondContact CD1-O 3.48Å; L571-A718 HydrophobicContact CD2-CB 3.94Å
572	C	55.4	Low	63.5	Low	36 Å²	36	72.6 Å²	72.6	24%	0.243	35%	0.348	C	S	.	.	H	α-helix	trans	-54.5	-47.8	-165.4	73	0	0	0	0	112.6	C574 R575 E576 A720	C572-C574 PolarHBondContact O-N 3.29Å; C572-R575 WeakPolarHBondContact O-CB 3.31Å; C572-R575 PolarHBondContact O-N 3.18Å; C572-E576 WeakPolarHBondContact CB-OE1 2.93Å; C572-E576 WeakPolarHBondContact O-CB 3.28Å; C572-E576 WeakPolarHBondContact O-CG 3.43Å; C572-E576 PolarHBondContact O-N 3.33Å; C572-A720 PolarHBondContact SG-N 2.86Å
573	G	61.8	Low	65.8	Low	30 Å²	30	72 Å²	72	31%	0.309	35%	0.354	S	S	.	.	H	α-helix	trans	-62.7	-33.8	179	0	0	0	0	0	114.5	L571 L577	L571-G573 VanDerWaalsContact C-N 3.34Å; L571-G573 PolarHBondContact O-N 2.86Å; G573-L577 WeakPolarHBondContact O-CB 3.47Å; G573-L577 PolarHBondContact O-N 3.39Å
574	C	65.6	Low	67.9	Low	6 Å²	6	77.4 Å²	77.4	4%	0.041	37%	0.373	C	S	.	.	H	α-helix	trans	-69.8	-35.8	174.3	-71	0	0	0	0	111.6	L571 C572 K578	L571-C574 PolarHBondContact O-N 2.83Å; C572-C574 PolarHBondContact O-N 3.29Å; C574-K578 WeakPolarHBondContact O-CB 3.33Å; C574-K578 PolarHBondContact O-N 3.41Å
575	R	68	Low	69.9	Low	175 Å²	175	76.7 Å²	76.7	66%	0.66	37%	0.369	S	S	*	.	H	α-helix	trans	-69.8	-51.5	176.1	-168.9	179.6	-174.3	-138.6	0.7	110.5	L571 C572 L577 K578 E579	L571-R575 PolarHBondContact O-N 3.02Å; L571-R575 VanDerWaalsContact O-N 3.15Å; C572-R575 WeakPolarHBondContact O-CB 3.31Å; C572-R575 PolarHBondContact O-N 3.18Å; R575-L577 VanDerWaalsContact C-N 3.32Å; R575-L577 PolarHBondContact O-N 3.03Å; R575-K578 PolarHBondContact O-N 2.83Å; R575-K578 VanDerWaalsContact O-N 3.13Å; R575-E579 WeakPolarHBondContact O-CG 3.16Å; R575-E579 PolarHBondContact O-N 3.42Å
576	E	71.8	Confident	71.9	Confident	115 Å²	115	73.3 Å²	73.3	54%	0.537	36%	0.355	S	S	.	.	H	α-helix	trans	-55.5	-45	176.5	-71.9	155.4	-151.4	0	0	111.7	C572 E579 H580	C572-E576 WeakPolarHBondContact CB-OE1 2.93Å; C572-E576 WeakPolarHBondContact O-CB 3.28Å; C572-E576 WeakPolarHBondContact O-CG 3.43Å; C572-E576 PolarHBondContact O-N 3.33Å; E576-E579 PolarHBondContact O-N 3.38Å; E576-H580 WeakPolarHBondContact O-CB 3.38Å; E576-H580 PolarHBondContact O-N 3.1Å
577	L	78.4	Confident	73.9	Confident	49 Å²	49	75.6 Å²	75.6	26%	0.257	37%	0.374	S	S	.	.	H	α-helix	trans	-65	-42.5	176	-174.6	57.2	0	0	0	111.9	G573 R575 E579 H580 M581 L704 R707	G573-L577 WeakPolarHBondContact O-CB 3.47Å; G573-L577 PolarHBondContact O-N 3.39Å; R575-L577 VanDerWaalsContact C-N 3.32Å; R575-L577 PolarHBondContact O-N 3.03Å; L577-E579 PolarHBondContact O-N 2.83Å; L577-H580 PolarHBondContact O-N 2.98Å; L577-M581 HydrophobicContact CD1-CE 4.46Å; L577-M581 HydrophobicContact CD1-CG 4.2Å; L577-M581 HydrophobicContact CD1-SD 3.95Å; L577-M581 HydrophobicContact CG-CE 3.85Å; L577-M581 HydrophobicContact CG-SD 3.95Å; L577-M581 WeakPolarHBondContact O-CE 3.35Å; L577-M581 VanDerWaalsContact O-CG 3.27Å; L577-M581 WeakPolarHBondContact O-CG 3.43Å; L577-M581 PolarHBondContact O-N 3.11Å; L577-L704 HydrophobicContact CB-CD1 4.21Å; L577-L704 HydrophobicContact CD2-CD1 3.79Å; L577-L704 HydrophobicContact CG-CD1 4Å; L577-R707 HydrophobicContact CD2-CB 3.92Å; L577-R707 HydrophobicContact CD2-CG 4.33Å
578	K	78.4	Confident	75.9	Confident	41 Å²	41	77.9 Å²	77.9	18%	0.178	39%	0.385	C	S	.	.	H	α-helix	trans	-61.7	-41.8	174.6	-169.5	167.3	174.9	172.6	0	111.4	C574 R575 M581 K582 E697 L700 N701 L704	C574-K578 WeakPolarHBondContact O-CB 3.33Å; C574-K578 PolarHBondContact O-N 3.41Å; R575-K578 PolarHBondContact O-N 2.83Å; R575-K578 VanDerWaalsContact O-N 3.13Å; K578-M581 PolarHBondContact O-N 3.33Å; K578-K582 WeakPolarHBondContact O-CG 3.38Å; K578-K582 PolarHBondContact O-N 3.49Å; K578-K582 VanDerWaalsContact O-N 3.1Å; K578-E697 IonicContact NZ-OE1 2.7Å; K578-E697 PolarHBondContact NZ-OE1 3.23Å; K578-E697 VanDerWaalsContact NZ-OE1 3.08Å; K578-L700 HydrophobicContact CG-CB 4.41Å; K578-L700 HydrophobicContact CG-CD2 4.36Å; K578-N701 PolarHBondContact NZ-OD1 3.07Å; K578-L704 HydrophobicContact CB-CD2 4.42Å; K578-L704 HydrophobicContact CD-CD2 4.49Å
579	E	82.8	Confident	77.7	Confident	89 Å²	89	68.4 Å²	68.4	42%	0.416	35%	0.349	S	S	.	.	H	α-helix	trans	-63	-41.5	173	-62.6	-51.4	137.4	0	0	112.2	R575 E576 L577 M581 K582 P583	R575-E579 WeakPolarHBondContact O-CG 3.16Å; R575-E579 PolarHBondContact O-N 3.42Å; E576-E579 PolarHBondContact O-N 3.38Å; L577-E579 PolarHBondContact O-N 2.83Å; E579-M581 VanDerWaalsContact C-N 3.31Å; E579-M581 PolarHBondContact O-N 3.19Å; E579-K582 PolarHBondContact O-N 3.45Å; E579-K582 WeakPolarHBondContact OE1-CE 3.48Å; E579-K582 IonicContact OE1-NZ 2.94Å; E579-K582 PolarHBondContact OE1-NZ 3.33Å; E579-K582 WeakPolarHBondContact OE2-CD 3.44Å; E579-K582 VanDerWaalsContact OE2-CE 3.31Å; E579-K582 WeakPolarHBondContact OE2-CE 3.2Å; E579-K582 IonicContact OE2-NZ 3.14Å; E579-K582 PolarHBondContact OE2-NZ 2.89Å; E579-P583 WeakPolarHBondContact O-CD 3.3Å
580	H	85.6	Confident	79.7	Confident	155 Å²	155	61.2 Å²	61.2	72%	0.718	32%	0.32	S	S	*	.	H	α-helix	trans	-66.5	-30.4	178	-169.8	80.8	0	0	0	113.2	E576 L577	E576-H580 WeakPolarHBondContact O-CB 3.38Å; E576-H580 PolarHBondContact O-N 3.1Å; L577-H580 PolarHBondContact O-N 2.98Å
581	M	86.6	Confident	81.8	Confident	7 Å²	7	68.2 Å²	68.2	3%	0.034	33%	0.333	C	S	.	.	H	α-helix	trans	-86.3	-22.1	179.4	-65.1	177.7	-47.3	0	0	113.8	L577 K578 E579 R584 I585 L700 E703 L704 R707	L577-M581 HydrophobicContact CD1-CE 4.46Å; L577-M581 HydrophobicContact CD1-CG 4.2Å; L577-M581 HydrophobicContact CD1-SD 3.95Å; L577-M581 HydrophobicContact CG-CE 3.85Å; L577-M581 HydrophobicContact CG-SD 3.95Å; L577-M581 WeakPolarHBondContact O-CE 3.35Å; L577-M581 VanDerWaalsContact O-CG 3.27Å; L577-M581 WeakPolarHBondContact O-CG 3.43Å; L577-M581 PolarHBondContact O-N 3.11Å; K578-M581 PolarHBondContact O-N 3.33Å; E579-M581 VanDerWaalsContact C-N 3.31Å; E579-M581 PolarHBondContact O-N 3.19Å; M581-R584 PolarHBondContact O-N 3.32Å; M581-R584 VanDerWaalsContact O-N 3.11Å; M581-I585 PolarHBondContact O-N 3.31Å; M581-I585 VanDerWaalsContact O-N 3.15Å; M581-L700 HydrophobicContact CB-CD2 3.99Å; M581-E703 HydrophobicContact CE-CG 4.35Å; M581-E703 HydrophobicContact CG-CG 4.38Å; M581-E703 HydrophobicContact SD-CB 4.34Å; M581-E703 HydrophobicContact SD-CG 3.45Å; M581-E703 WeakPolarHBondContact SD-CG 3.5Å; M581-L704 HydrophobicContact CE-CB 3.68Å; M581-L704 HydrophobicContact CE-CD1 3.87Å; M581-L704 HydrophobicContact CE-CG 4.36Å; M581-R707 HydrophobicContact SD-CG 4.03Å
582	K	89.3	Confident	83.5	Confident	57 Å²	57	70.4 Å²	70.4	25%	0.248	34%	0.344	C	S	.	.	H	α-helix	trans	-45.6	-52.3	178.1	-88.8	176.9	-168	176.6	0	113.6	K578 E579 R584 I585 F586 L700	K578-K582 WeakPolarHBondContact O-CG 3.38Å; K578-K582 PolarHBondContact O-N 3.49Å; K578-K582 VanDerWaalsContact O-N 3.1Å; E579-K582 PolarHBondContact O-N 3.45Å; E579-K582 WeakPolarHBondContact OE1-CE 3.48Å; E579-K582 IonicContact OE1-NZ 2.94Å; E579-K582 PolarHBondContact OE1-NZ 3.33Å; E579-K582 WeakPolarHBondContact OE2-CD 3.44Å; E579-K582 VanDerWaalsContact OE2-CE 3.31Å; E579-K582 WeakPolarHBondContact OE2-CE 3.2Å; E579-K582 IonicContact OE2-NZ 3.14Å; E579-K582 PolarHBondContact OE2-NZ 2.89Å; K582-R584 VanDerWaalsContact C-N 3.29Å; K582-R584 PolarHBondContact O-N 3.03Å; K582-I585 PolarHBondContact O-N 2.84Å; K582-F586 HydrophobicContact CB-CZ 4.42Å; K582-F586 HydrophobicContact CD-CZ 4.24Å; K582-F586 HydrophobicContact CG-CE1 4.21Å; K582-F586 HydrophobicContact CG-CZ 4.05Å; K582-F586 WeakPolarHBondContact O-CB 3.4Å; K582-F586 WeakPolarHBondContact O-CD1 3.26Å; K582-F586 VanDerWaalsContact O-CG 3.3Å; K582-F586 WeakPolarHBondContact O-CG 3.47Å; K582-F586 PolarHBondContact O-N 3.29Å; K582-L700 HydrophobicContact CB-CD2 4.48Å; K582-L700 HydrophobicContact CG-CD1 3.59Å; K582-L700 HydrophobicContact CG-CD2 4.04Å; K582-L700 HydrophobicContact CG-CG 4.48Å
583	P	91.6	Very high	85.3	Confident	89 Å²	89	68.7 Å²	68.7	58%	0.578	33%	0.333	S	S	*	.	H	α-helix	trans	-57.6	-39.7	-177.8	-25.7	35.2	0	0	0	113.1	E579 A587	E579-P583 WeakPolarHBondContact O-CD 3.3Å; P583-A587 VanDerWaalsContact O-CB 3.25Å; P583-A587 WeakPolarHBondContact O-CB 3.39Å; P583-A587 PolarHBondContact O-N 3.35Å
584	R	92.5	Very high	86.9	Confident	123 Å²	123	69.6 Å²	69.6	46%	0.464	33%	0.33	S	S	.	.	H	α-helix	trans	-69.2	-44.6	179.8	-161	-170.9	81.2	172.4	3.6	111.6	M581 K582 A587 L588 E703	M581-R584 PolarHBondContact O-N 3.32Å; M581-R584 VanDerWaalsContact O-N 3.11Å; K582-R584 VanDerWaalsContact C-N 3.29Å; K582-R584 PolarHBondContact O-N 3.03Å; R584-A587 PolarHBondContact O-N 3.24Å; R584-L588 WeakPolarHBondContact O-CG 3.47Å; R584-L588 PolarHBondContact O-N 2.94Å; R584-L588 VanDerWaalsContact O-N 3.16Å; R584-E703 IonicContact CZ-OE1 3.07Å; R584-E703 IonicContact CZ-OE2 3.71Å; R584-E703 IonicContact NH1-OE1 2.75Å; R584-E703 PolarHBondContact NH1-OE1 3.22Å; R584-E703 IonicContact NH2-OE1 2.71Å; R584-E703 PolarHBondContact NH2-OE1 2.94Å; R584-E703 VanDerWaalsContact NH2-OE1 3.1Å; R584-E703 IonicContact NH2-OE2 3.93Å; R584-E703 PolarHBondContact NH2-OE2 3.2Å
585	I	91.3	Very high	88.2	Confident	7 Å²	7	72.3 Å²	72.3	4%	0.036	35%	0.349	C	S	.	.	H	α-helix	trans	-68	-44.6	179.5	-60.7	-56.6	0	0	0	110.9	M581 K582 A587 L588 V589 W699 L700 E703	M581-I585 PolarHBondContact O-N 3.31Å; M581-I585 VanDerWaalsContact O-N 3.15Å; K582-I585 PolarHBondContact O-N 2.84Å; I585-A587 VanDerWaalsContact C-N 3.3Å; I585-A587 PolarHBondContact O-N 3.27Å; I585-L588 HydrophobicContact CD1-CD1 4.45Å; I585-L588 WeakPolarHBondContact O-CB 3.47Å; I585-L588 PolarHBondContact O-N 2.93Å; I585-L588 VanDerWaalsContact O-N 3.08Å; I585-V589 PolarHBondContact O-N 3.23Å; I585-W699 HydrophobicContact CD1-CB 4.35Å; I585-W699 HydrophobicContact CG2-CB 3.46Å; I585-W699 VanDerWaalsContact CG2-CB 3.46Å; I585-W699 HydrophobicContact CG2-CG 4.46Å; I585-L700 HydrophobicContact CB-CD2 4.03Å; I585-L700 HydrophobicContact CB-CG 4Å; I585-L700 HydrophobicContact CG1-CD2 3.66Å; I585-L700 HydrophobicContact CG1-CG 3.96Å; I585-L700 HydrophobicContact CG2-CG 4.03Å; I585-E703 HydrophobicContact CD1-CB 4.25Å
586	F	93.5	Very high	89.3	Confident	67 Å²	67	65.4 Å²	65.4	29%	0.294	33%	0.327	S	S	.	.	H	α-helix	trans	-61.6	-39.7	177.7	-70.2	7.2	0	0	0	111.1	K582 L588 V589 A590 F692 L700	K582-F586 HydrophobicContact CB-CZ 4.42Å; K582-F586 HydrophobicContact CD-CZ 4.24Å; K582-F586 HydrophobicContact CG-CE1 4.21Å; K582-F586 HydrophobicContact CG-CZ 4.05Å; K582-F586 WeakPolarHBondContact O-CB 3.4Å; K582-F586 WeakPolarHBondContact O-CD1 3.26Å; K582-F586 VanDerWaalsContact O-CG 3.3Å; K582-F586 WeakPolarHBondContact O-CG 3.47Å; K582-F586 PolarHBondContact O-N 3.29Å; F586-L588 VanDerWaalsContact C-N 3.32Å; F586-L588 PolarHBondContact O-N 3.16Å; F586-V589 PolarHBondContact O-N 3.06Å; F586-A590 VanDerWaalsContact O-CB 3.25Å; F586-A590 WeakPolarHBondContact O-CB 3.49Å; F586-A590 PolarHBondContact O-N 3.19Å; F586-F692 HydrophobicContact CD1-CE2 4.04Å; F586-F692 AromaticContact CD1-CZ 3.75Å; F586-F692 HydrophobicContact CD1-CZ 3.75Å; F586-F692 AromaticContact CD2-CZ 3.97Å; F586-F692 HydrophobicContact CD2-CZ 3.97Å; F586-F692 HydrophobicContact CE1-CE2 4.42Å; F586-F692 AromaticContact CE1-CZ 3.81Å; F586-F692 HydrophobicContact CE1-CZ 3.81Å; F586-F692 HydrophobicContact CE2-CZ 4.02Å; F586-F692 HydrophobicContact CG-CE2 4.22Å; F586-F692 AromaticContact CG-CZ 3.83Å; F586-F692 HydrophobicContact CG-CZ 3.83Å; F586-F692 AromaticContact CZ-CZ 3.94Å; F586-F692 HydrophobicContact CZ-CZ 3.94Å; F586-L700 HydrophobicContact CE1-CD1 3.86Å
587	A	92.8	Very high	90.2	Very high	61 Å²	61	61.5 Å²	61.5	50%	0.504	31%	0.31	S	S	.	.	H	α-helix	trans	-64	-32.2	174	0	0	0	0	0	113.7	P583 R584 I585 R591	P583-A587 VanDerWaalsContact O-CB 3.25Å; P583-A587 WeakPolarHBondContact O-CB 3.39Å; P583-A587 PolarHBondContact O-N 3.35Å; R584-A587 PolarHBondContact O-N 3.24Å; I585-A587 VanDerWaalsContact C-N 3.3Å; I585-A587 PolarHBondContact O-N 3.27Å; A587-R591 VanDerWaalsContact O-CB 3.31Å; A587-R591 WeakPolarHBondContact O-CB 3.16Å; A587-R591 PolarHBondContact O-N 3.39Å
588	L	94.1	Very high	90.8	Very high	95 Å²	95	68 Å²	68	50%	0.497	34%	0.336	S	S	.	.	H	α-helix	trans	-70.6	-44	174.3	-71.1	170.5	0	0	0	111.7	R584 I585 F586 R591 N592	R584-L588 WeakPolarHBondContact O-CG 3.47Å; R584-L588 PolarHBondContact O-N 2.94Å; R584-L588 VanDerWaalsContact O-N 3.16Å; I585-L588 HydrophobicContact CD1-CD1 4.45Å; I585-L588 WeakPolarHBondContact O-CB 3.47Å; I585-L588 PolarHBondContact O-N 2.93Å; I585-L588 VanDerWaalsContact O-N 3.08Å; F586-L588 VanDerWaalsContact C-N 3.32Å; F586-L588 PolarHBondContact O-N 3.16Å; L588-R591 WeakPolarHBondContact O-CB 3.5Å; L588-R591 PolarHBondContact O-N 3.27Å; L588-N592 PolarHBondContact O-N 3.12Å
589	V	93.1	Very high	91.3	Very high	3 Å²	3	74.3 Å²	74.3	2%	0.018	36%	0.363	C	S	.	.	H	α-helix	trans	-64.9	-44.8	175.6	-178.1	0	0	0	0	110.5	I585 F586 R591 N592 R593 M687 F692 E695	I585-V589 PolarHBondContact O-N 3.23Å; F586-V589 PolarHBondContact O-N 3.06Å; V589-R591 VanDerWaalsContact C-N 3.3Å; V589-R591 PolarHBondContact O-N 3.19Å; V589-N592 WeakPolarHBondContact O-CA 3Å; V589-N592 VanDerWaalsContact O-CB 3.3Å; V589-N592 WeakPolarHBondContact O-CB 3.37Å; V589-N592 PolarHBondContact O-N 2.74Å; V589-R593 WeakPolarHBondContact O-CG 3.35Å; V589-R593 PolarHBondContact O-N 3.44Å; V589-M687 HydrophobicContact CG1-SD 4.47Å; V589-F692 HydrophobicContact CB-CD2 4.32Å; V589-F692 HydrophobicContact CB-CE2 4.37Å; V589-F692 HydrophobicContact CG1-CD2 3.76Å; V589-F692 HydrophobicContact CG1-CE2 4.3Å; V589-E695 WeakPolarHBondContact CG1-OE2 3.46Å
590	A	94.1	Very high	91.6	Very high	13 Å²	13	72 Å²	72	11%	0.107	36%	0.363	C	S	.	.	H	α-helix	trans	-53.3	-46	171.9	0	0	0	0	0	111.8	F586 N592 R593 L594 T681 M687	F586-A590 VanDerWaalsContact O-CB 3.25Å; F586-A590 WeakPolarHBondContact O-CB 3.49Å; F586-A590 PolarHBondContact O-N 3.19Å; A590-N592 VanDerWaalsContact C-N 3.31Å; A590-N592 PolarHBondContact O-N 3.1Å; A590-R593 PolarHBondContact O-N 2.9Å; A590-L594 WeakPolarHBondContact O-CB 3.5Å; A590-L594 VanDerWaalsContact O-CG 3.26Å; A590-L594 WeakPolarHBondContact O-CG 3.46Å; A590-L594 PolarHBondContact O-N 2.84Å; A590-T681 HydrophobicContact CB-CG2 3.74Å; A590-M687 HydrophobicContact CB-CE 3.7Å; A590-M687 HydrophobicContact CB-SD 4.33Å
591	R	93.8	Very high	91.6	Very high	193 Å²	193	68.5 Å²	68.5	73%	0.728	35%	0.347	S	S	*	.	H	α-helix	trans	-62.6	-34.7	176.1	-176.5	176	179.2	158.7	-0.4	112.8	A587 L588 V589 S595	A587-R591 VanDerWaalsContact O-CB 3.31Å; A587-R591 WeakPolarHBondContact O-CB 3.16Å; A587-R591 PolarHBondContact O-N 3.39Å; L588-R591 WeakPolarHBondContact O-CB 3.5Å; L588-R591 PolarHBondContact O-N 3.27Å; V589-R591 VanDerWaalsContact C-N 3.3Å; V589-R591 PolarHBondContact O-N 3.19Å; R591-S595 WeakPolarHBondContact O-CB 3.32Å; R591-S595 PolarHBondContact O-N 3.43Å
592	N	93.4	Very high	91.4	Very high	67 Å²	67	74.9 Å²	74.9	36%	0.358	38%	0.38	S	S	.	.	H	α-helix	trans	-63.2	-52.2	170.8	169.3	-73.6	0	0	0	110.8	L588 V589 A590 L594 S595 C596	L588-N592 PolarHBondContact O-N 3.12Å; V589-N592 WeakPolarHBondContact O-CA 3Å; V589-N592 VanDerWaalsContact O-CB 3.3Å; V589-N592 WeakPolarHBondContact O-CB 3.37Å; V589-N592 PolarHBondContact O-N 2.74Å; A590-N592 VanDerWaalsContact C-N 3.31Å; A590-N592 PolarHBondContact O-N 3.1Å; N592-L594 VanDerWaalsContact C-N 3.35Å; N592-L594 PolarHBondContact O-N 3Å; N592-S595 CarbonylContact O-C 3.01Å; N592-S595 WeakPolarHBondContact O-CA 3.45Å; N592-S595 VanDerWaalsContact O-CB 3.24Å; N592-S595 WeakPolarHBondContact O-CB 3.45Å; N592-S595 PolarHBondContact O-N 3.15Å; N592-C596 PolarHBondContact O-N 3.03Å; N592-C596 PolarHBondContact O-SG 2.99Å
593	R	93.9	Very high	91	Very high	1 Å²	1	73.8 Å²	73.8	0%	0.004	38%	0.375	C	S	.	.	H	α-helix	trans	-56.4	-46.5	178.6	-57.7	-57.3	-176.7	-95	-6.3	112.2	V589 A590 S595 C596 M597 D677 M687 H691 E695	V589-R593 WeakPolarHBondContact O-CG 3.35Å; V589-R593 PolarHBondContact O-N 3.44Å; A590-R593 PolarHBondContact O-N 2.9Å; R593-S595 VanDerWaalsContact C-N 3.26Å; R593-S595 PolarHBondContact O-N 3.32Å; R593-C596 WeakPolarHBondContact O-CB 3.05Å; R593-C596 PolarHBondContact O-N 3.41Å; R593-C596 VanDerWaalsContact O-N 3.13Å; R593-M597 PolarHBondContact O-N 3.15Å; R593-D677 HydrophobicContact CG-CB 3.96Å; R593-D677 IonicContact NE-OD2 3.1Å; R593-M687 HydrophobicContact CG-SD 4.07Å; R593-H691 PolarHBondContact NH2-CD2 2.8Å; R593-E695 IonicContact CZ-OE2 3.55Å; R593-E695 IonicContact NH1-OE2 2.7Å; R593-E695 PolarHBondContact NH1-OE2 3.18Å; R593-E695 IonicContact NH2-OE2 2.65Å; R593-E695 PolarHBondContact NH2-OE2 3.14Å
594	L	93.7	Very high	89.7	Confident	49 Å²	49	71.2 Å²	71.2	26%	0.257	36%	0.361	S	S	.	.	H	α-helix	trans	-61.4	-31.6	174.4	-66.8	175.8	0	0	0	112.9	A590 N592 K598 T681 L682	A590-L594 WeakPolarHBondContact O-CB 3.5Å; A590-L594 VanDerWaalsContact O-CG 3.26Å; A590-L594 WeakPolarHBondContact O-CG 3.46Å; A590-L594 PolarHBondContact O-N 2.84Å; N592-L594 VanDerWaalsContact C-N 3.35Å; N592-L594 PolarHBondContact O-N 3Å; L594-K598 WeakPolarHBondContact O-CB 3.46Å; L594-K598 VanDerWaalsContact O-CG 3.27Å; L594-K598 WeakPolarHBondContact O-CG 3.46Å; L594-K598 PolarHBondContact O-N 3.21Å; L594-K598 VanDerWaalsContact O-N 3.11Å; L594-T681 HydrophobicContact CD1-CG2 3.89Å; L594-T681 HydrophobicContact CD2-CG2 4.08Å; L594-T681 HydrophobicContact CG-CG2 3.96Å; L594-L682 HydrophobicContact CD2-CD1 4.33Å; L594-L682 HydrophobicContact CD2-CD2 3.45Å; L594-L682 VanDerWaalsContact CD2-CD2 3.45Å; L594-L682 HydrophobicContact CD2-CG 3.55Å
595	S	93.2	Very high	88.4	Confident	62 Å²	62	71.1 Å²	71.1	43%	0.434	36%	0.364	S	S	.	.	H	α-helix	trans	-71.7	-39	173.9	-164.7	0	0	0	0	111.9	R591 N592 R593 K598 K599	R591-S595 WeakPolarHBondContact O-CB 3.32Å; R591-S595 PolarHBondContact O-N 3.43Å; N592-S595 CarbonylContact O-C 3.01Å; N592-S595 WeakPolarHBondContact O-CA 3.45Å; N592-S595 VanDerWaalsContact O-CB 3.24Å; N592-S595 WeakPolarHBondContact O-CB 3.45Å; N592-S595 PolarHBondContact O-N 3.15Å; R593-S595 VanDerWaalsContact C-N 3.26Å; R593-S595 PolarHBondContact O-N 3.32Å; S595-K598 PolarHBondContact O-N 2.9Å; S595-K599 PolarHBondContact O-N 3.49Å; S595-K599 VanDerWaalsContact O-N 3.13Å
596	C	90.7	Very high	87.1	Confident	31 Å²	31	74.8 Å²	74.8	21%	0.209	38%	0.378	C	S	.	.	H	α-helix	trans	-63.9	-46.4	173.7	-64.8	0	0	0	0	111.3	N592 R593 K598 K599 G600	N592-C596 PolarHBondContact O-N 3.03Å; N592-C596 PolarHBondContact O-SG 2.99Å; R593-C596 WeakPolarHBondContact O-CB 3.05Å; R593-C596 PolarHBondContact O-N 3.41Å; R593-C596 VanDerWaalsContact O-N 3.13Å; C596-K598 VanDerWaalsContact C-N 3.27Å; C596-K598 PolarHBondContact O-N 3.37Å; C596-K599 WeakPolarHBondContact O-CB 3.39Å; C596-K599 PolarHBondContact O-N 2.88Å; C596-K599 VanDerWaalsContact O-N 3.09Å; C596-G600 PolarHBondContact O-N 3.21Å
597	M	91.8	Very high	85.2	Confident	33 Å²	33	74 Å²	74	16%	0.163	38%	0.38	C	S	.	.	H	α-helix	trans	-58.8	-36.9	173.5	-68.4	-170.8	79	0	0	112.9	R593 K599 G600 W675 G678 L679 L682	R593-M597 PolarHBondContact O-N 3.15Å; M597-K599 VanDerWaalsContact C-N 3.35Å; M597-K599 PolarHBondContact O-N 3.22Å; M597-G600 PolarHBondContact O-N 3.3Å; M597-G600 VanDerWaalsContact O-N 3.15Å; M597-W675 HydrophobicContact CE-CE3 3.88Å; M597-W675 HydrophobicContact CE-CZ3 3.82Å; M597-W675 HydrophobicContact CG-CD2 4.43Å; M597-W675 HydrophobicContact CG-CE3 4.33Å; M597-W675 HydrophobicContact CG-CZ3 4.47Å; M597-G678 VanDerWaalsContact SD-CA 3.52Å; M597-L679 HydrophobicContact CE-CD2 3.64Å; M597-L679 HydrophobicContact CE-CG 3.73Å; M597-L679 HydrophobicContact SD-CG 4.47Å; M597-L682 HydrophobicContact CE-CD1 3.62Å; M597-L682 HydrophobicContact SD-CD1 3.64Å; M597-L682 HydrophobicContact SD-CG 4.45Å
598	K	91.5	Very high	83.1	Confident	185 Å²	185	79.7 Å²	79.7	80%	0.804	39%	0.389	S	S	*	.	H	α-helix	trans	-67.8	-28.3	175.6	-79.9	176.1	-178.9	-176.1	0	114.1	L594 S595 C596 G600	L594-K598 WeakPolarHBondContact O-CB 3.46Å; L594-K598 VanDerWaalsContact O-CG 3.27Å; L594-K598 WeakPolarHBondContact O-CG 3.46Å; L594-K598 PolarHBondContact O-N 3.21Å; L594-K598 VanDerWaalsContact O-N 3.11Å; S595-K598 PolarHBondContact O-N 2.9Å; C596-K598 VanDerWaalsContact C-N 3.27Å; C596-K598 PolarHBondContact O-N 3.37Å; K598-G600 VanDerWaalsContact C-N 3.29Å
599	K	88.7	Confident	80.7	Confident	173 Å²	173	79.1 Å²	79.1	75%	0.752	41%	0.406	S	S	*	.	H	α-helix	trans	-69.5	-31.8	170.5	-69	176	177.9	178.8	0	111.4	S595 C596 M597	S595-K599 PolarHBondContact O-N 3.49Å; S595-K599 VanDerWaalsContact O-N 3.13Å; C596-K599 WeakPolarHBondContact O-CB 3.39Å; C596-K599 PolarHBondContact O-N 2.88Å; C596-K599 VanDerWaalsContact O-N 3.09Å; M597-K599 VanDerWaalsContact C-N 3.35Å; M597-K599 PolarHBondContact O-N 3.22Å
600	G	88.4	Confident	78.5	Confident	40 Å²	40	82 Å²	82	41%	0.412	43%	0.427	S	S	.	.			trans	82	163.5	-176.3	0	0	0	0	0	112.8	C596 M597 K598	C596-G600 PolarHBondContact O-N 3.21Å; M597-G600 PolarHBondContact O-N 3.3Å; M597-G600 VanDerWaalsContact O-N 3.15Å; K598-G600 VanDerWaalsContact C-N 3.29Å
601	Q	86.6	Confident	76.3	Confident	83 Å²	83	87.1 Å²	87.1	39%	0.388	45%	0.446	S	S	.	.			trans	-142.2	146.8	-179.7	177.4	59.8	28.2	0	0	108.5	F603 T671 W675	Q601-F603 HydrophobicContact CB-CD2 4.46Å; Q601-F603 HydrophobicContact CB-CE2 3.81Å; Q601-F603 HydrophobicContact CB-CZ 3.96Å; Q601-F603 HydrophobicContact CG-CD1 4.48Å; Q601-F603 HydrophobicContact CG-CD2 4.36Å; Q601-F603 HydrophobicContact CG-CE1 4.03Å; Q601-F603 HydrophobicContact CG-CE2 3.91Å; Q601-F603 HydrophobicContact CG-CZ 3.72Å; Q601-T671 HydrophobicContact CG-CG2 3.76Å; Q601-W675 HydrophobicContact CB-CH2 4.46Å; Q601-W675 HydrophobicContact CB-CZ2 3.43Å; Q601-W675 VanDerWaalsContact CB-CZ2 3.43Å
602	I	82.2	Confident	74.3	Confident	140 Å²	140	80.3 Å²	80.3	72%	0.718	44%	0.436	S	S	*	.			trans	-90.6	123.2	169.6	-58.1	177.6	0	0	0	107.6
603	F	79.8	Confident	72.4	Confident	35 Å²	35	81.2 Å²	81.2	15%	0.154	44%	0.441	C	S	.	.			trans	-107.9	136.3	169.3	-61.8	-80.5	0	0	0	108.1	Q601 F648 F664 A666 T671 W675	Q601-F603 HydrophobicContact CB-CD2 4.46Å; Q601-F603 HydrophobicContact CB-CE2 3.81Å; Q601-F603 HydrophobicContact CB-CZ 3.96Å; Q601-F603 HydrophobicContact CG-CD1 4.48Å; Q601-F603 HydrophobicContact CG-CD2 4.36Å; Q601-F603 HydrophobicContact CG-CE1 4.03Å; Q601-F603 HydrophobicContact CG-CE2 3.91Å; Q601-F603 HydrophobicContact CG-CZ 3.72Å; F603-F648 HydrophobicContact CD1-CE1 4.48Å; F603-F648 AromaticContact CE1-CE1 3.8Å; F603-F648 HydrophobicContact CE1-CE1 3.8Å; F603-F648 AromaticContact CE1-CZ 3.88Å; F603-F648 HydrophobicContact CE1-CZ 3.88Å; F603-F648 HydrophobicContact CE2-CZ 4.25Å; F603-F648 HydrophobicContact CZ-CE1 4.06Å; F603-F648 AromaticContact CZ-CZ 3.72Å; F603-F648 HydrophobicContact CZ-CZ 3.72Å; F603-F664 HydrophobicContact CB-CD1 3.84Å; F603-F664 HydrophobicContact CD1-CB 4.45Å; F603-F664 AromaticContact CD2-CD1 3.68Å; F603-F664 HydrophobicContact CD2-CD1 3.68Å; F603-F664 HydrophobicContact CD2-CE1 4.11Å; F603-F664 HydrophobicContact CE2-CD1 4.39Å; F603-F664 HydrophobicContact CG-CB 4.46Å; F603-F664 AromaticContact CG-CD1 3.76Å; F603-F664 HydrophobicContact CG-CD1 3.76Å; F603-A666 HydrophobicContact CE1-CB 4.02Å; F603-T671 HydrophobicContact CE1-CG2 4.25Å; F603-W675 AromaticContact CE2-CD2 3.97Å; F603-W675 HydrophobicContact CE2-CD2 3.97Å; F603-W675 HydrophobicContact CE2-CE3 4.03Å; F603-W675 HydrophobicContact CE2-CH2 4.26Å; F603-W675 HydrophobicContact CE2-CZ2 4.2Å; F603-W675 HydrophobicContact CE2-CZ3 4.17Å; F603-W675 AromaticContact CZ-CD2 3.62Å; F603-W675 HydrophobicContact CZ-CD2 3.62Å; F603-W675 AromaticContact CZ-CE2 3.85Å; F603-W675 HydrophobicContact CZ-CE3 4.04Å; F603-W675 AromaticContact CZ-CG 3.79Å; F603-W675 HydrophobicContact CZ-CG 3.79Å; F603-W675 HydrophobicContact CZ-CZ2 4.48Å
604	A	65.4	Low	71	Confident	35 Å²	35	93.1 Å²	93.1	29%	0.289	49%	0.485	S	S	.	.			trans	-72.7	159.1	174.1	0	0	0	0	0	111.8	Q459	Q459-A604 HydrophobicContact CG-CB 3.6Å; Q459-A604 VanDerWaalsContact NE2-CB 3.34Å
605	K	64.9	Low	69.8	Low	120 Å²	120	94.9 Å²	94.9	52%	0.522	49%	0.492	S	S	.	.			trans	-73	130.3	172.6	-53.4	173.9	-169.3	168.3	0	108.7	C607 S610	K605-C607 VanDerWaalsContact C-N 3.34Å; K605-S610 VanDerWaalsContact CD-O 3.24Å; K605-S610 WeakPolarHBondContact CD-O 3.43Å; K605-S610 VanDerWaalsContact CE-O 3.29Å; K605-S610 WeakPolarHBondContact CE-O 3.41Å; K605-S610 PolarHBondContact NZ-O 3.28Å
606	Y	63.8	Low	69.2	Low	85 Å²	85	99.5 Å²	99.5	33%	0.333	51%	0.505	S	S	.	.	S	Bend	trans	-77.9	-19.7	175.1	65.4	-82.8	0	0	0	112.8	H633 N663	Y606-H633 HydrophobicContact CD2-CB 3.66Å; Y606-H633 HydrophobicContact CE2-CB 3.64Å; Y606-H633 HydrophobicContact CG-CB 4.35Å; Y606-H633 AromaticContact CG-CD2 3.93Å; Y606-N663 HydrophobicContact CD1-CB 3.97Å; Y606-N663 HydrophobicContact CE1-CB 3.43Å; Y606-N663 VanDerWaalsContact CE1-CB 3.43Å; Y606-N663 HydrophobicContact CE2-CB 4.5Å; Y606-N663 PolarHBondContact OH-ND2 3.44Å
607	C	53.8	Low	68.6	Low	50 Å²	50	100 Å²	100	34%	0.338	51%	0.507	S	S	.	.	S	Bend	trans	-110.8	129.7	170.8	-64.6	0	0	0	0	111.3	K605	K605-C607 VanDerWaalsContact C-N 3.34Å
608	R	47.9	Very low	68.2	Low	181 Å²	181	100.5 Å²	100.5	68%	0.683	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	152.7	165.5	-65.3	-173	179.6	-148.6	-0.4	109.8	S610	R608-S610 VanDerWaalsContact C-N 3.31Å; R608-S610 PolarHBondContact O-N 3.14Å
609	G	44.5	Very low	67.9	Low	83 Å²	83	95.9 Å²	95.9	86%	0.856	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.5	-30	178.3	0	0	0	0	0	116.2	K611	G609-K611 PolarHBondContact O-N 2.8Å
610	S	46.7	Very low	67.7	Low	64 Å²	64	92.7 Å²	92.7	45%	0.448	49%	0.494	S	S	.	.			trans	-59.4	127.3	175.4	171.2	0	0	0	0	111.7	K605 R608 G612	K605-S610 VanDerWaalsContact CD-O 3.24Å; K605-S610 WeakPolarHBondContact CD-O 3.43Å; K605-S610 VanDerWaalsContact CE-O 3.29Å; K605-S610 WeakPolarHBondContact CE-O 3.41Å; K605-S610 PolarHBondContact NZ-O 3.28Å; R608-S610 VanDerWaalsContact C-N 3.31Å; R608-S610 PolarHBondContact O-N 3.14Å; S610-G612 PolarHBondContact O-N 2.96Å
611	K	47.8	Very low	67.6	Low	120 Å²	120	93.7 Å²	93.7	52%	0.522	49%	0.488	S	S	.	.			trans	-71.5	123.8	163.9	-76.1	-178.8	176.7	178.1	0	107.6	S148 G609 N613	S148-K611 VanDerWaalsContact CB-NZ 3.3Å; S148-K611 PolarHBondContact OG-NZ 3.14Å; G609-K611 PolarHBondContact O-N 2.8Å; K611-N613 PolarHBondContact O-N 3.09Å
612	G	50.9	Low	67.7	Low	49 Å²	49	90.4 Å²	90.4	51%	0.505	47%	0.473	S	S	.	.			trans	-76.6	88	-175.4	0	0	0	0	0	110.4	S610 R614	S610-G612 PolarHBondContact O-N 2.96Å; G612-R614 PolarHBondContact O-N 3.4Å
613	N	55.2	Low	67.9	Low	87 Å²	87	86.1 Å²	86.1	47%	0.465	46%	0.455	S	S	.	.			trans	-65.3	122.8	175.4	-71	-7.8	0	0	0	109.3	K611 E615	K611-N613 PolarHBondContact O-N 3.09Å; N613-E615 VanDerWaalsContact C-N 3.26Å; N613-E615 HydrophobicContact CB-CG 3.87Å; N613-E615 PolarHBondContact O-N 3.28Å
614	R	64.6	Low	68.4	Low	250 Å²	250	88.4 Å²	88.4	94%	0.943	47%	0.466	S	S	*	.			trans	-78.7	80.5	170.2	-73.5	-174.3	176	-175.2	-0.8	109	G612	G612-R614 PolarHBondContact O-N 3.4Å
615	E	68.7	Low	69.6	Low	86 Å²	86	87.4 Å²	87.4	40%	0.402	46%	0.456	S	S	.	.			trans	-81.4	141.9	178.4	-65.4	-178.7	-169.4	0	0	111	N613 Y662	N613-E615 VanDerWaalsContact C-N 3.26Å; N613-E615 HydrophobicContact CB-CG 3.87Å; N613-E615 PolarHBondContact O-N 3.28Å; E615-Y662 HydrophobicContact CB-CE1 4.22Å; E615-Y662 VanDerWaalsContact OE2-CE1 3.27Å; E615-Y662 WeakPolarHBondContact OE2-CE1 3.32Å; E615-Y662 PolarHBondContact OE2-OH 2.65Å
616	K	78.8	Confident	70.7	Confident	160 Å²	160	83 Å²	83	70%	0.696	44%	0.438	S	S	*	.			trans	-101.5	100.7	176.3	-69.9	176.8	-177.4	169.1	0	107.7	Y22	Y22-K616 PolarHBondContact OH-NZ 3.5Å
617	V	78.4	Confident	71.9	Confident	42 Å²	42	81.7 Å²	81.7	26%	0.255	44%	0.436	S	S	.	.			trans	-90.5	120.8	177.3	-171.4	0	0	0	0	108.9	I619 I622 L652 Y662	V617-I619 PolarHBondContact O-N 2.71Å; V617-I622 HydrophobicContact CG1-CG1 4.3Å; V617-L652 HydrophobicContact CG1-CD2 3.83Å; V617-Y662 HydrophobicContact CB-CE2 4.38Å; V617-Y662 HydrophobicContact CG1-CE2 4.18Å; V617-Y662 HydrophobicContact CG2-CD2 3.84Å; V617-Y662 HydrophobicContact CG2-CE1 4.1Å; V617-Y662 HydrophobicContact CG2-CE2 3.27Å; V617-Y662 HydrophobicContact CG2-CG 4.44Å; V617-Y662 VanDerWaalsContact CG2-CZ 3.44Å
618	P	84.1	Confident	73.3	Confident	43 Å²	43	80.2 Å²	80.2	28%	0.279	43%	0.429	S	S	.	.			trans	-61.2	127.3	168.2	-22.6	35.8	0	0	0	109.8	C620 E621	P618-C620 PolarHBondContact O-N 2.85Å; P618-C620 VanDerWaalsContact O-N 3.09Å; P618-E621 HydrophobicContact CB-CG 4.11Å; P618-E621 WeakPolarHBondContact CD-OE2 3.36Å; P618-E621 HydrophobicContact CG-CG 4.34Å; P618-E621 WeakPolarHBondContact CG-OE1 3.42Å; P618-E621 WeakPolarHBondContact O-CB 3.43Å; P618-E621 PolarHBondContact O-N 3.06Å
619	I	83.9	Confident	74.6	Confident	88 Å²	88	75.6 Å²	75.6	45%	0.451	43%	0.425	S	S	.	.	G	3₁₀ helix	trans	-58.2	-31.2	-175.3	-65.4	165.5	0	0	0	111.8	V617 E621 I622 L682	V617-I619 PolarHBondContact O-N 2.71Å; I619-E621 PolarHBondContact O-N 3.42Å; I619-I622 WeakPolarHBondContact O-CB 3.41Å; I619-I622 PolarHBondContact O-N 2.74Å; I619-I622 VanDerWaalsContact O-N 3.15Å; I619-L682 HydrophobicContact CD1-CD1 4.04Å; I619-L682 HydrophobicContact CD1-CD2 4.32Å; I619-L682 HydrophobicContact CG2-CB 3.94Å; I619-L682 HydrophobicContact CG2-CD1 3.98Å; I619-L682 HydrophobicContact CG2-CD2 4.22Å; I619-L682 HydrophobicContact CG2-CG 4.27Å
620	C	85	Confident	76.3	Confident	106 Å²	106	77.7 Å²	77.7	72%	0.716	42%	0.416	S	S	*	.	G	3₁₀ helix	trans	-68.5	-13.3	175.6	57.5	0	0	0	0	115	P618	P618-C620 PolarHBondContact O-N 2.85Å; P618-C620 VanDerWaalsContact O-N 3.09Å
621	E	86.1	Confident	77.8	Confident	61 Å²	61	74.7 Å²	74.7	29%	0.285	40%	0.395	S	S	.	.	G	3₁₀ helix	trans	-86.7	-9.6	173.1	-67.6	176.9	-167.9	0	0	112.2	P618 I619 L652 V653	P618-E621 HydrophobicContact CB-CG 4.11Å; P618-E621 WeakPolarHBondContact CD-OE2 3.36Å; P618-E621 HydrophobicContact CG-CG 4.34Å; P618-E621 WeakPolarHBondContact CG-OE1 3.42Å; P618-E621 WeakPolarHBondContact O-CB 3.43Å; P618-E621 PolarHBondContact O-N 3.06Å; I619-E621 PolarHBondContact O-N 3.42Å; E621-L652 HydrophobicContact CB-CD2 4.45Å; E621-L652 CarbonylContact O-C 3.54Å; E621-L652 WeakPolarHBondContact O-CA 3.44Å; E621-V653 WeakPolarHBondContact O-CG2 3.45Å; E621-V653 PolarHBondContact O-N 2.71Å
622	I	88.3	Confident	79.1	Confident	14 Å²	14	73 Å²	73	7%	0.072	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	122.9	173	-53.5	170.3	0	0	0	108.1	V617 I619 L650 L679 L683	V617-I622 HydrophobicContact CG1-CG1 4.3Å; I619-I622 WeakPolarHBondContact O-CB 3.41Å; I619-I622 PolarHBondContact O-N 2.74Å; I619-I622 VanDerWaalsContact O-N 3.15Å; I622-L650 HydrophobicContact CD1-CD1 4.06Å; I622-L650 HydrophobicContact CG2-CB 4.29Å; I622-L679 HydrophobicContact CD1-CD2 4.43Å; I622-L683 HydrophobicContact CB-CD2 4.25Å; I622-L683 HydrophobicContact CG2-CD1 4.42Å; I622-L683 HydrophobicContact CG2-CD2 4.11Å; I622-L683 VanDerWaalsContact O-CD2 3.28Å; I622-L683 WeakPolarHBondContact O-CD2 3.32Å
623	S	88	Confident	80.2	Confident	50 Å²	50	70.8 Å²	70.8	35%	0.35	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	-42.7	178.5	68.3	0	0	0	0	112.9	V651	S623-V651 WeakPolarHBondContact CB-O 3.26Å; S623-V651 PolarHBondContact N-O 3.13Å; S623-V651 PolarHBondContact OG-O 3.3Å
624	H	89.3	Confident	80.8	Confident	82 Å²	82	67.9 Å²	67.9	38%	0.38	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.3	168.6	178	62.6	-70.9	0	0	0	110.7	V651	H624-V651 PolarHBondContact O-N 3.31Å
625	V	91	Very high	80.6	Confident	14 Å²	14	64.2 Å²	64.2	9%	0.085	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	129.2	175.4	-176.3	0	0	0	0	109.6	M627 F648 T649 L650 L679 M680 L683	V625-M627 HydrophobicContact CG1-CG 3.94Å; V625-F648 HydrophobicContact CG1-CB 4Å; V625-F648 HydrophobicContact CG1-CD2 4.32Å; V625-T649 WeakPolarHBondContact CA-O 3.3Å; V625-L650 HydrophobicContact CG1-CD2 4.3Å; V625-L650 HydrophobicContact CG2-CD2 3.69Å; V625-L679 HydrophobicContact CG1-CD1 4.44Å; V625-L679 HydrophobicContact CG2-CB 3.94Å; V625-L679 HydrophobicContact CG2-CD1 4.18Å; V625-L679 HydrophobicContact CG2-CD2 4.48Å; V625-L679 HydrophobicContact CG2-CG 4.44Å; V625-M680 HydrophobicContact CB-CE 4.13Å; V625-L683 HydrophobicContact CG2-CD1 3.89Å
626	I	88.6	Confident	79.9	Confident	28 Å²	28	66.4 Å²	66.4	14%	0.144	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	142.1	168.9	-58.7	173.8	0	0	0	107.4	N630 F648 T649 V651 M658	I626-N630 HydrophobicContact CG2-CB 3.59Å; I626-F648 CarbonylContact O-C 3.16Å; I626-F648 WeakPolarHBondContact O-CA 3.47Å; I626-F648 WeakPolarHBondContact O-CB 3.47Å; I626-T649 PolarHBondContact N-O 2.71Å; I626-T649 PolarHBondContact O-N 3.46Å; I626-V651 HydrophobicContact CD1-CG2 3.76Å; I626-V651 HydrophobicContact CG1-CG2 4.13Å; I626-M658 HydrophobicContact CD1-CE 3.37Å; I626-M658 HydrophobicContact CD1-SD 3.63Å
627	M	88.9	Confident	78.7	Confident	58 Å²	58	61.2 Å²	61.2	29%	0.286	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	151.6	-170.4	-61.6	-176.1	-61.4	0	0	111.7	V625 F648 F672 T676 M680	V625-M627 HydrophobicContact CG1-CG 3.94Å; M627-F648 HydrophobicContact CG-CB 4.42Å; M627-F672 HydrophobicContact CB-CZ 4.22Å; M627-T676 HydrophobicContact CG-CG2 4.06Å; M627-T676 HydrophobicContact SD-CG2 3.59Å; M627-T676 VanDerWaalsContact SD-CG2 3.59Å; M627-M680 HydrophobicContact CE-CE 3.56Å; M627-M680 HydrophobicContact SD-CE 3.62Å
628	G	82.2	Confident	77.2	Confident	19 Å²	19	68.9 Å²	68.9	20%	0.196	37%	0.369	C	S	.	.	G	3₁₀ helix	trans	59.5	-151.8	176.8	0	0	0	0	0	112.1	N630 C631 I634 A647	G628-N630 PolarHBondContact O-N 3.31Å; G628-C631 PolarHBondContact O-N 3.35Å; G628-C631 PolarHBondContact O-SG 3.09Å; G628-I634 WeakPolarHBondContact O-CD1 3.48Å; G628-A647 PolarHBondContact N-O 2.93Å
629	S	76.5	Confident	75.7	Confident	84 Å²	84	70 Å²	70	59%	0.587	39%	0.388	S	S	*	.	G	3₁₀ helix	trans	-54.1	-10	-175.8	55	0	0	0	0	116.9	C631	S629-C631 VanDerWaalsContact C-N 3.35Å
630	N	78.6	Confident	74.1	Confident	127 Å²	127	71.5 Å²	71.5	68%	0.679	39%	0.391	S	S	*	.	G	3₁₀ helix	trans	-77.6	-16.7	175.1	-65.6	-30.9	0	0	0	113.5	I626 G628	I626-N630 HydrophobicContact CG2-CB 3.59Å; G628-N630 PolarHBondContact O-N 3.31Å
631	C	78.1	Confident	72.3	Confident	1 Å²	1	74.8 Å²	74.8	1%	0.007	39%	0.393	C	S	.	.	S	Bend	trans	-73.4	131.2	178.8	-42.2	0	0	0	0	110.6	G628 S629 H633 I634 A647	G628-C631 PolarHBondContact O-N 3.35Å; G628-C631 PolarHBondContact O-SG 3.09Å; S629-C631 VanDerWaalsContact C-N 3.35Å; C631-H633 WeakPolarHBondContact CB-CE1 3.37Å; C631-H633 WeakPolarHBondContact CB-ND1 3.35Å; C631-H633 PolarHBondContact O-N 2.89Å; C631-I634 HydrophobicContact CB-CD1 3.62Å; C631-I634 HydrophobicContact CB-CG1 4.16Å; C631-I634 WeakPolarHBondContact O-CD1 3.35Å; C631-I634 PolarHBondContact O-N 3.38Å; C631-A647 PolarHBondContact SG-O 3.43Å
632	T	75.2	Confident	70.4	Confident	84 Å²	84	77.5 Å²	77.5	52%	0.515	42%	0.419	S	S	.	.	G	3₁₀ helix	trans	-65.5	-37.2	-171.3	47	0	0	0	0	113	I634 K635	T632-I634 PolarHBondContact O-N 3.23Å; T632-K635 PolarHBondContact O-N 3.02Å
633	H	74.8	Confident	68.7	Low	2 Å²	2	79.7 Å²	79.7	1%	0.009	45%	0.446	C	S	.	.	G	3₁₀ helix	trans	-63.4	-20.5	-179.2	61.3	-69	0	0	0	114.4	Y606 C631 K635 E636 T637 T649 N663 F664	Y606-H633 HydrophobicContact CD2-CB 3.66Å; Y606-H633 HydrophobicContact CE2-CB 3.64Å; Y606-H633 HydrophobicContact CG-CB 4.35Å; Y606-H633 AromaticContact CG-CD2 3.93Å; C631-H633 WeakPolarHBondContact CB-CE1 3.37Å; C631-H633 WeakPolarHBondContact CB-ND1 3.35Å; C631-H633 PolarHBondContact O-N 2.89Å; H633-K635 PolarHBondContact O-N 3.14Å; H633-E636 WeakPolarHBondContact O-CB 3.45Å; H633-E636 PolarHBondContact O-N 2.82Å; H633-E636 VanDerWaalsContact O-N 3.14Å; H633-T637 PolarHBondContact O-N 3.26Å; H633-T649 PolarHBondContact CE1-OG1 2.9Å; H633-T649 VanDerWaalsContact CE1-OG1 3.27Å; H633-N663 HydrophobicContact CB-CB 4.4Å; H633-N663 PolarHBondContact ND1-OD1 3.5Å; H633-F664 PolarHBondContact NE2-O 2.97Å
634	I	67.9	Low	67.3	Low	26 Å²	26	82.1 Å²	82.1	13%	0.133	46%	0.455	C	S	.	.	G	3₁₀ helix	trans	-64.2	-33.1	177.2	-63.3	158.4	0	0	0	111.4	G628 C631 T632 E636 T637 V645 A647	G628-I634 WeakPolarHBondContact O-CD1 3.48Å; C631-I634 HydrophobicContact CB-CD1 3.62Å; C631-I634 HydrophobicContact CB-CG1 4.16Å; C631-I634 WeakPolarHBondContact O-CD1 3.35Å; C631-I634 PolarHBondContact O-N 3.38Å; T632-I634 PolarHBondContact O-N 3.23Å; I634-E636 PolarHBondContact O-N 2.95Å; I634-T637 WeakPolarHBondContact CA-OG1 3.28Å; I634-T637 PolarHBondContact O-N 3.13Å; I634-T637 PolarHBondContact O-OG1 2.94Å; I634-V645 HydrophobicContact CB-CG1 4.34Å; I634-V645 HydrophobicContact CD1-CG1 3.52Å; I634-V645 HydrophobicContact CG1-CG1 3.65Å; I634-V645 HydrophobicContact CG2-CG1 3.73Å; I634-V645 HydrophobicContact CG2-CG2 4.5Å; I634-A647 HydrophobicContact CD1-CB 3.75Å; I634-A647 HydrophobicContact CG1-CB 3.71Å
635	K	60.1	Low	66.4	Low	174 Å²	174	79.2 Å²	79.2	76%	0.757	44%	0.442	S	S	*	.	G	3₁₀ helix	trans	-67.9	-20.3	179.3	-64.6	-177.6	180	176.8	0	112.3	T632 H633	T632-K635 PolarHBondContact O-N 3.02Å; H633-K635 PolarHBondContact O-N 3.14Å
636	E	53.4	Low	66.2	Low	132 Å²	132	80.9 Å²	80.9	62%	0.617	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.7	-34.2	175.9	-57	177.1	164.5	0	0	110.8	H633 I634 K638	H633-E636 WeakPolarHBondContact O-CB 3.45Å; H633-E636 PolarHBondContact O-N 2.82Å; H633-E636 VanDerWaalsContact O-N 3.14Å; I634-E636 PolarHBondContact O-N 2.95Å; E636-K638 VanDerWaalsContact C-N 3.28Å; E636-K638 PolarHBondContact O-N 3.25Å
637	T	53.5	Low	66.1	Low	50 Å²	50	79.6 Å²	79.6	31%	0.307	44%	0.442	S	S	.	.	S	Bend	trans	-73.3	74.1	171.5	51.4	0	0	0	0	112.8	H633 I634 G639	H633-T637 PolarHBondContact O-N 3.26Å; I634-T637 WeakPolarHBondContact CA-OG1 3.28Å; I634-T637 PolarHBondContact O-N 3.13Å; I634-T637 PolarHBondContact O-OG1 2.94Å; T637-G639 PolarHBondContact O-N 3.43Å
638	K	48.3	Very low	66.2	Low	204 Å²	204	77 Å²	77	89%	0.887	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	102.2	171.4	-66.9	179.3	-177.9	173.9	0	111	E636	E636-K638 VanDerWaalsContact C-N 3.28Å; E636-K638 PolarHBondContact O-N 3.25Å
639	G	52.2	Low	66.5	Low	67 Å²	67	76.1 Å²	76.1	69%	0.691	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	160.3	-28.1	167.3	0	0	0	0	0	116.8	T637	T637-G639 PolarHBondContact O-N 3.43Å
640	K	49.8	Very low	67.2	Low	118 Å²	118	72.9 Å²	72.9	51%	0.513	40%	0.396	S	S	.	.			trans	-79.7	130.7	-179.4	-68.6	-168.7	175	-171.4	0	111.6	V645	K640-V645 HydrophobicContact CB-CG2 4.4Å
641	K	46.8	Very low	67.6	Low	175 Å²	175	67 Å²	67	76%	0.761	37%	0.365	S	S	*	.			trans	-60.6	145.9	166.4	-65	173.7	-176.7	168.5	0	108.3	G643 D644	K641-G643 PolarHBondContact O-N 3.21Å; K641-D644 PolarHBondContact O-N 2.84Å
642	S	46.3	Very low	68.1	Low	118 Å²	118	68 Å²	68	83%	0.825	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.4	10.6	-167.8	72.4	0	0	0	0	116.3
643	G	52.5	Low	68.4	Low	61 Å²	61	67.9 Å²	67.9	63%	0.629	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.3	-44	174.9	0	0	0	0	0	113.2	K641 V645	K641-G643 PolarHBondContact O-N 3.21Å; G643-V645 PolarHBondContact O-N 3.38Å
644	D	59.3	Low	68.5	Low	101 Å²	101	71.1 Å²	71.1	54%	0.54	40%	0.403	S	S	.	.			trans	-99.9	46.6	-164.1	-49	-55.6	0	0	0	112.7	K641 F646	K641-D644 PolarHBondContact O-N 2.84Å; D644-F646 HydrophobicContact CB-CZ 4.44Å
645	V	71.2	Confident	68.8	Low	20 Å²	20	71 Å²	71	12%	0.121	40%	0.403	C	S	.	.			trans	-109.1	83	-172.6	-167.9	0	0	0	0	111.9	I634 K640 G643 A647	I634-V645 HydrophobicContact CB-CG1 4.34Å; I634-V645 HydrophobicContact CD1-CG1 3.52Å; I634-V645 HydrophobicContact CG1-CG1 3.65Å; I634-V645 HydrophobicContact CG2-CG1 3.73Å; I634-V645 HydrophobicContact CG2-CG2 4.5Å; K640-V645 HydrophobicContact CB-CG2 4.4Å; G643-V645 PolarHBondContact O-N 3.38Å; V645-A647 HydrophobicContact CG1-CB 4.01Å; V645-A647 PolarHBondContact O-N 3.45Å
646	F	85.4	Confident	69.1	Low	50 Å²	50	72.5 Å²	72.5	22%	0.219	41%	0.409	C	S	.	.			trans	-78.2	44.9	178.7	-49.1	-46.7	0	0	0	113.5	D644 A666 A669 F672	D644-F646 HydrophobicContact CB-CZ 4.44Å; F646-A666 HydrophobicContact CB-CB 4.04Å; F646-A666 WeakPolarHBondContact O-CB 3.48Å; F646-A666 PolarHBondContact O-N 2.91Å; F646-A669 HydrophobicContact CD1-CB 4.19Å; F646-A669 HydrophobicContact CE1-CB 3.62Å; F646-A669 HydrophobicContact CZ-CB 3.85Å; F646-F672 HydrophobicContact CB-CB 3.97Å; F646-F672 HydrophobicContact CB-CD2 4Å; F646-F672 HydrophobicContact CB-CG 4.04Å; F646-F672 HydrophobicContact CD1-CB 4.41Å; F646-F672 HydrophobicContact CD1-CG 4.46Å; F646-F672 HydrophobicContact CG-CB 4.44Å; F646-F672 WeakPolarHBondContact O-CD2 3.05Å
647	A	87.2	Confident	69.9	Low	1 Å²	1	69.5 Å²	69.5	1%	0.008	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	144.5	-175.4	0	0	0	0	0	112.6	G628 C631 I634 V645 F664 V665 F672	G628-A647 PolarHBondContact N-O 2.93Å; C631-A647 PolarHBondContact SG-O 3.43Å; I634-A647 HydrophobicContact CD1-CB 3.75Å; I634-A647 HydrophobicContact CG1-CB 3.71Å; V645-A647 HydrophobicContact CG1-CB 4.01Å; V645-A647 PolarHBondContact O-N 3.45Å; A647-F664 WeakPolarHBondContact CA-O 3.49Å; A647-F664 WeakPolarHBondContact CB-O 3.47Å; A647-V665 HydrophobicContact CB-CG2 4.09Å; A647-F672 WeakPolarHBondContact O-CE2 3.5Å
648	F	90.4	Very high	70.7	Confident	2 Å²	2	70.2 Å²	70.2	1%	0.009	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	153.6	175.5	63	-87.5	0	0	0	111.5	F603 V625 I626 M627 L650 F664 F672 W675 T676 L679	F603-F648 HydrophobicContact CD1-CE1 4.48Å; F603-F648 AromaticContact CE1-CE1 3.8Å; F603-F648 HydrophobicContact CE1-CE1 3.8Å; F603-F648 AromaticContact CE1-CZ 3.88Å; F603-F648 HydrophobicContact CE1-CZ 3.88Å; F603-F648 HydrophobicContact CE2-CZ 4.25Å; F603-F648 HydrophobicContact CZ-CE1 4.06Å; F603-F648 AromaticContact CZ-CZ 3.72Å; F603-F648 HydrophobicContact CZ-CZ 3.72Å; V625-F648 HydrophobicContact CG1-CB 4Å; V625-F648 HydrophobicContact CG1-CD2 4.32Å; I626-F648 CarbonylContact O-C 3.16Å; I626-F648 WeakPolarHBondContact O-CA 3.47Å; I626-F648 WeakPolarHBondContact O-CB 3.47Å; M627-F648 HydrophobicContact CG-CB 4.42Å; F648-L650 HydrophobicContact CD2-CD2 4.16Å; F648-L650 HydrophobicContact CE2-CD2 4.3Å; F648-F664 HydrophobicContact CD1-CB 4.11Å; F648-F664 HydrophobicContact CD2-CB 4Å; F648-F664 AromaticContact CD2-CD2 3.95Å; F648-F664 HydrophobicContact CD2-CD2 3.95Å; F648-F664 HydrophobicContact CD2-CG 4.32Å; F648-F664 HydrophobicContact CE1-CB 3.73Å; F648-F664 HydrophobicContact CE2-CB 3.62Å; F648-F664 AromaticContact CE2-CD2 3.46Å; F648-F664 HydrophobicContact CE2-CD2 3.46Å; F648-F664 VanDerWaalsContact CE2-CD2 3.46Å; F648-F664 HydrophobicContact CE2-CE2 4.3Å; F648-F664 AromaticContact CE2-CG 3.66Å; F648-F664 HydrophobicContact CE2-CG 3.66Å; F648-F664 HydrophobicContact CG-CB 4.24Å; F648-F664 HydrophobicContact CZ-CB 3.47Å; F648-F664 VanDerWaalsContact CZ-CB 3.47Å; F648-F664 HydrophobicContact CZ-CD2 4.09Å; F648-F664 AromaticContact CZ-CG 3.78Å; F648-F664 HydrophobicContact CZ-CG 3.78Å; F648-F664 PolarHBondContact N-O 2.8Å; F648-F664 PolarHBondContact O-N 3.16Å; F648-F672 HydrophobicContact CB-CE2 4.22Å; F648-F672 HydrophobicContact CD1-CD2 4.05Å; F648-F672 HydrophobicContact CD1-CE2 4.09Å; F648-W675 HydrophobicContact CZ-CB 4.4Å; F648-T676 HydrophobicContact CB-CG2 4.38Å; F648-T676 HydrophobicContact CD1-CG2 4.48Å; F648-T676 HydrophobicContact CG-CG2 4.49Å; F648-L679 HydrophobicContact CD2-CD1 3.99Å; F648-L679 HydrophobicContact CE2-CD1 3.81Å
649	T	89.3	Confident	71.6	Confident	2 Å²	2	68.8 Å²	68.8	1%	0.012	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	127.8	-179.9	-61.3	0	0	0	0	109.8	V625 I626 H633 V651 Y662 N663	V625-T649 WeakPolarHBondContact CA-O 3.3Å; I626-T649 PolarHBondContact N-O 2.71Å; I626-T649 PolarHBondContact O-N 3.46Å; H633-T649 PolarHBondContact CE1-OG1 2.9Å; H633-T649 VanDerWaalsContact CE1-OG1 3.27Å; T649-V651 HydrophobicContact CG2-CG2 4.13Å; T649-Y662 CarbonylContact C-O 3.45Å; T649-Y662 WeakPolarHBondContact CA-O 3.45Å; T649-N663 WeakPolarHBondContact CB-OD1 3.33Å; T649-N663 WeakPolarHBondContact CG2-OD1 3.42Å; T649-N663 PolarHBondContact OG1-OD1 3.15Å
650	L	90.5	Very high	72.6	Confident	16 Å²	16	70.4 Å²	70.4	8%	0.084	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	117.8	170.8	-47	-179.9	0	0	0	108.9	I622 V625 F648 S661 Y662 F664 L679	I622-L650 HydrophobicContact CD1-CD1 4.06Å; I622-L650 HydrophobicContact CG2-CB 4.29Å; V625-L650 HydrophobicContact CG1-CD2 4.3Å; V625-L650 HydrophobicContact CG2-CD2 3.69Å; F648-L650 HydrophobicContact CD2-CD2 4.16Å; F648-L650 HydrophobicContact CE2-CD2 4.3Å; L650-S661 VanDerWaalsContact O-CA 3.32Å; L650-S661 WeakPolarHBondContact O-CA 3.44Å; L650-S661 WeakPolarHBondContact O-CB 3.38Å; L650-Y662 PolarHBondContact N-O 2.77Å; L650-Y662 PolarHBondContact O-N 2.92Å; L650-F664 HydrophobicContact CD1-CD2 4.46Å; L650-F664 HydrophobicContact CD1-CE2 3.62Å; L650-F664 HydrophobicContact CD1-CZ 4.34Å; L650-F664 HydrophobicContact CG-CD2 4.22Å; L650-F664 HydrophobicContact CG-CE2 3.79Å; L650-L679 HydrophobicContact CD2-CD1 3.68Å; L650-L679 HydrophobicContact CD2-CD2 3.76Å; L650-L679 HydrophobicContact CD2-CG 4.36Å
651	V	88.4	Confident	74	Confident	3 Å²	3	65.7 Å²	65.7	2%	0.018	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	123.9	179.2	-177	0	0	0	0	109.6	S623 H624 I626 T649 M658	S623-V651 WeakPolarHBondContact CB-O 3.26Å; S623-V651 PolarHBondContact N-O 3.13Å; S623-V651 PolarHBondContact OG-O 3.3Å; H624-V651 PolarHBondContact O-N 3.31Å; I626-V651 HydrophobicContact CD1-CG2 3.76Å; I626-V651 HydrophobicContact CG1-CG2 4.13Å; T649-V651 HydrophobicContact CG2-CG2 4.13Å; V651-M658 HydrophobicContact CG1-CG 4.16Å; V651-M658 HydrophobicContact CG2-CE 4.4Å; V651-M658 HydrophobicContact CG2-CG 4.14Å; V651-M658 HydrophobicContact CG2-SD 4.24Å
652	L	86.8	Confident	75.8	Confident	22 Å²	22	60.4 Å²	60.4	12%	0.115	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	153.7	-176.5	-58.1	-177.9	0	0	0	113.1	V617 E621 G654 D655 N660 Y662	V617-L652 HydrophobicContact CG1-CD2 3.83Å; E621-L652 HydrophobicContact CB-CD2 4.45Å; E621-L652 CarbonylContact O-C 3.54Å; E621-L652 WeakPolarHBondContact O-CA 3.44Å; L652-G654 PolarHBondContact O-N 3.28Å; L652-D655 HydrophobicContact CB-CB 4.25Å; L652-D655 PolarHBondContact O-N 3.48Å; L652-D655 VanDerWaalsContact O-N 3.1Å; L652-N660 HydrophobicContact CD1-CB 4.16Å; L652-N660 WeakPolarHBondContact CD1-O 3.29Å; L652-Y662 HydrophobicContact CD1-CE2 4.02Å; L652-Y662 HydrophobicContact CD2-CD2 4.24Å; L652-Y662 HydrophobicContact CD2-CE2 4.08Å; L652-Y662 HydrophobicContact CG-CE2 4.33Å
653	V	82.9	Confident	77.7	Confident	82 Å²	82	56 Å²	56	50%	0.497	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59	122.5	174	174.6	0	0	0	0	109.7	E621 D655	E621-V653 WeakPolarHBondContact O-CG2 3.45Å; E621-V653 PolarHBondContact O-N 2.71Å; V653-D655 VanDerWaalsContact C-N 3.34Å
654	G	75.5	Confident	79.3	Confident	70 Å²	70	55.7 Å²	55.7	72%	0.722	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.9	-21.3	-178	0	0	0	0	0	114.8	L652 K656	L652-G654 PolarHBondContact O-N 3.28Å; G654-K656 VanDerWaalsContact C-N 3.25Å; G654-K656 PolarHBondContact O-N 3.45Å
655	D	74.7	Confident	80.5	Confident	23 Å²	23	52.1 Å²	52.1	12%	0.123	28%	0.282	C	S	.	.			trans	-81.6	66.3	-179.5	-175.2	22.2	0	0	0	112.7	L652 V653 A657 M658 K659 N660 S661	L652-D655 HydrophobicContact CB-CB 4.25Å; L652-D655 PolarHBondContact O-N 3.48Å; L652-D655 VanDerWaalsContact O-N 3.1Å; V653-D655 VanDerWaalsContact C-N 3.34Å; D655-A657 PolarHBondContact O-N 3.22Å; D655-A657 VanDerWaalsContact O-N 3.12Å; D655-A657 PolarHBondContact OD1-N 3.4Å; D655-M658 PolarHBondContact O-N 2.95Å; D655-M658 VanDerWaalsContact O-N 3.09Å; D655-M658 PolarHBondContact OD1-N 3.34Å; D655-M658 WeakPolarHBondContact OD2-CA 3.5Å; D655-K659 PolarHBondContact OD1-N 3.01Å; D655-K659 PolarHBondContact OD2-N 2.66Å; D655-N660 WeakPolarHBondContact OD2-CA 3.34Å; D655-N660 PolarHBondContact OD2-N 2.83Å; D655-S661 PolarHBondContact OD2-N 3.13Å
656	K	67.3	Low	81.2	Confident	205 Å²	205	51.2 Å²	51.2	89%	0.891	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-17	175.5	-65.9	-175.1	179	-179.6	0	113.6	G654	G654-K656 VanDerWaalsContact C-N 3.25Å; G654-K656 PolarHBondContact O-N 3.45Å
657	A	69.1	Low	80.9	Confident	69 Å²	69	51.4 Å²	51.4	57%	0.57	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.7	-3.3	179.2	0	0	0	0	0	113	D655 K659	D655-A657 PolarHBondContact O-N 3.22Å; D655-A657 VanDerWaalsContact O-N 3.12Å; D655-A657 PolarHBondContact OD1-N 3.4Å; A657-K659 HydrophobicContact CB-CD 4.17Å; A657-K659 HydrophobicContact CB-CG 3.88Å; A657-K659 PolarHBondContact O-N 3.08Å; A657-K659 VanDerWaalsContact O-N 3.14Å
658	M	70	Confident	80.7	Confident	65 Å²	65	54.5 Å²	54.5	32%	0.32	30%	0.3	S	S	.	.			trans	55.2	23.5	-176.6	-55.1	179.5	-166.4	0	0	114	I626 V651 D655 N660 S661	I626-M658 HydrophobicContact CD1-CE 3.37Å; I626-M658 HydrophobicContact CD1-SD 3.63Å; V651-M658 HydrophobicContact CG1-CG 4.16Å; V651-M658 HydrophobicContact CG2-CE 4.4Å; V651-M658 HydrophobicContact CG2-CG 4.14Å; V651-M658 HydrophobicContact CG2-SD 4.24Å; D655-M658 PolarHBondContact O-N 2.95Å; D655-M658 VanDerWaalsContact O-N 3.09Å; D655-M658 PolarHBondContact OD1-N 3.34Å; D655-M658 WeakPolarHBondContact OD2-CA 3.5Å; M658-N660 VanDerWaalsContact C-N 3.31Å; M658-N660 PolarHBondContact O-N 2.89Å; M658-S661 WeakPolarHBondContact O-CB 3.37Å; M658-S661 PolarHBondContact O-N 3.39Å; M658-S661 PolarHBondContact O-OG 3.21Å
659	K	69.1	Low	80.6	Confident	175 Å²	175	56.6 Å²	56.6	76%	0.761	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-31.7	-176.9	-73.9	-177.6	175	-173.7	0	112.9	D655 A657	D655-K659 PolarHBondContact OD1-N 3.01Å; D655-K659 PolarHBondContact OD2-N 2.66Å; A657-K659 HydrophobicContact CB-CD 4.17Å; A657-K659 HydrophobicContact CB-CG 3.88Å; A657-K659 PolarHBondContact O-N 3.08Å; A657-K659 VanDerWaalsContact O-N 3.14Å
660	N	71.9	Confident	80.6	Confident	101 Å²	101	62 Å²	62	54%	0.54	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.1	25.8	-179.3	-59.2	3.6	0	0	0	110.1	L652 D655 M658	L652-N660 HydrophobicContact CD1-CB 4.16Å; L652-N660 WeakPolarHBondContact CD1-O 3.29Å; D655-N660 WeakPolarHBondContact OD2-CA 3.34Å; D655-N660 PolarHBondContact OD2-N 2.83Å; M658-N660 VanDerWaalsContact C-N 3.31Å; M658-N660 PolarHBondContact O-N 2.89Å
661	S	79.5	Confident	80.6	Confident	18 Å²	18	62.1 Å²	62.1	13%	0.126	34%	0.343	C	S	.	.			trans	-79	143.7	178.1	66.7	0	0	0	0	111.7	L650 D655 M658	L650-S661 VanDerWaalsContact O-CA 3.32Å; L650-S661 WeakPolarHBondContact O-CA 3.44Å; L650-S661 WeakPolarHBondContact O-CB 3.38Å; D655-S661 PolarHBondContact OD2-N 3.13Å; M658-S661 WeakPolarHBondContact O-CB 3.37Å; M658-S661 PolarHBondContact O-N 3.39Å; M658-S661 PolarHBondContact O-OG 3.21Å
662	Y	85.3	Confident	80.8	Confident	64 Å²	64	63.2 Å²	63.2	25%	0.251	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	110.5	179.9	-64.8	-83.6	0	0	0	110.4	E615 V617 T649 L650 L652 F664	E615-Y662 HydrophobicContact CB-CE1 4.22Å; E615-Y662 VanDerWaalsContact OE2-CE1 3.27Å; E615-Y662 WeakPolarHBondContact OE2-CE1 3.32Å; E615-Y662 PolarHBondContact OE2-OH 2.65Å; V617-Y662 HydrophobicContact CB-CE2 4.38Å; V617-Y662 HydrophobicContact CG1-CE2 4.18Å; V617-Y662 HydrophobicContact CG2-CD2 3.84Å; V617-Y662 HydrophobicContact CG2-CE1 4.1Å; V617-Y662 HydrophobicContact CG2-CE2 3.27Å; V617-Y662 HydrophobicContact CG2-CG 4.44Å; V617-Y662 VanDerWaalsContact CG2-CZ 3.44Å; T649-Y662 CarbonylContact C-O 3.45Å; T649-Y662 WeakPolarHBondContact CA-O 3.45Å; L650-Y662 PolarHBondContact N-O 2.77Å; L650-Y662 PolarHBondContact O-N 2.92Å; L652-Y662 HydrophobicContact CD1-CE2 4.02Å; L652-Y662 HydrophobicContact CD2-CD2 4.24Å; L652-Y662 HydrophobicContact CD2-CE2 4.08Å; L652-Y662 HydrophobicContact CG-CE2 4.33Å; Y662-F664 VanDerWaalsContact O-CD2 3.31Å; Y662-F664 WeakPolarHBondContact O-CD2 3.48Å; Y662-F664 WeakPolarHBondContact O-CE2 3.38Å
663	N	85.5	Confident	81.1	Confident	27 Å²	27	63.2 Å²	63.2	14%	0.144	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	128.9	-175.7	-65.6	-48.7	0	0	0	111.4	Y606 H633 T649	Y606-N663 HydrophobicContact CD1-CB 3.97Å; Y606-N663 HydrophobicContact CE1-CB 3.43Å; Y606-N663 VanDerWaalsContact CE1-CB 3.43Å; Y606-N663 HydrophobicContact CE2-CB 4.5Å; Y606-N663 PolarHBondContact OH-ND2 3.44Å; H633-N663 HydrophobicContact CB-CB 4.4Å; H633-N663 PolarHBondContact ND1-OD1 3.5Å; T649-N663 WeakPolarHBondContact CB-OD1 3.33Å; T649-N663 WeakPolarHBondContact CG2-OD1 3.42Å; T649-N663 PolarHBondContact OG1-OD1 3.15Å
664	F	87	Confident	81.6	Confident	53 Å²	53	60.6 Å²	60.6	23%	0.232	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	155.6	-177.7	-61.9	-85.5	0	0	0	111.6	F603 H633 A647 F648 L650 Y662	F603-F664 HydrophobicContact CB-CD1 3.84Å; F603-F664 HydrophobicContact CD1-CB 4.45Å; F603-F664 AromaticContact CD2-CD1 3.68Å; F603-F664 HydrophobicContact CD2-CD1 3.68Å; F603-F664 HydrophobicContact CD2-CE1 4.11Å; F603-F664 HydrophobicContact CE2-CD1 4.39Å; F603-F664 HydrophobicContact CG-CB 4.46Å; F603-F664 AromaticContact CG-CD1 3.76Å; F603-F664 HydrophobicContact CG-CD1 3.76Å; H633-F664 PolarHBondContact NE2-O 2.97Å; A647-F664 WeakPolarHBondContact CA-O 3.49Å; A647-F664 WeakPolarHBondContact CB-O 3.47Å; F648-F664 HydrophobicContact CD1-CB 4.11Å; F648-F664 HydrophobicContact CD2-CB 4Å; F648-F664 AromaticContact CD2-CD2 3.95Å; F648-F664 HydrophobicContact CD2-CD2 3.95Å; F648-F664 HydrophobicContact CD2-CG 4.32Å; F648-F664 HydrophobicContact CE1-CB 3.73Å; F648-F664 HydrophobicContact CE2-CB 3.62Å; F648-F664 AromaticContact CE2-CD2 3.46Å; F648-F664 HydrophobicContact CE2-CD2 3.46Å; F648-F664 VanDerWaalsContact CE2-CD2 3.46Å; F648-F664 HydrophobicContact CE2-CE2 4.3Å; F648-F664 AromaticContact CE2-CG 3.66Å; F648-F664 HydrophobicContact CE2-CG 3.66Å; F648-F664 HydrophobicContact CG-CB 4.24Å; F648-F664 HydrophobicContact CZ-CB 3.47Å; F648-F664 VanDerWaalsContact CZ-CB 3.47Å; F648-F664 HydrophobicContact CZ-CD2 4.09Å; F648-F664 AromaticContact CZ-CG 3.78Å; F648-F664 HydrophobicContact CZ-CG 3.78Å; F648-F664 PolarHBondContact N-O 2.8Å; F648-F664 PolarHBondContact O-N 3.16Å; L650-F664 HydrophobicContact CD1-CD2 4.46Å; L650-F664 HydrophobicContact CD1-CE2 3.62Å; L650-F664 HydrophobicContact CD1-CZ 4.34Å; L650-F664 HydrophobicContact CG-CD2 4.22Å; L650-F664 HydrophobicContact CG-CE2 3.79Å; Y662-F664 VanDerWaalsContact O-CD2 3.31Å; Y662-F664 WeakPolarHBondContact O-CD2 3.48Å; Y662-F664 WeakPolarHBondContact O-CE2 3.38Å
665	V	83.9	Confident	82.5	Confident	26 Å²	26	59.2 Å²	59.2	16%	0.158	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	113.6	169.1	-173.5	0	0	0	0	107.4	A647	A647-V665 HydrophobicContact CB-CG2 4.09Å
666	A	85.5	Confident	83.4	Confident	1 Å²	1	58.4 Å²	58.4	1%	0.008	30%	0.3	C	S	.	.			trans	-69.3	148.9	175.5	0	0	0	0	0	110.8	F603 F646 D668 T671 F672	F603-A666 HydrophobicContact CE1-CB 4.02Å; F646-A666 HydrophobicContact CB-CB 4.04Å; F646-A666 WeakPolarHBondContact O-CB 3.48Å; F646-A666 PolarHBondContact O-N 2.91Å; A666-D668 VanDerWaalsContact C-N 3.31Å; A666-D668 PolarHBondContact O-N 3.38Å; A666-T671 HydrophobicContact CB-CG2 4.24Å; A666-F672 HydrophobicContact CB-CB 3.87Å; A666-F672 HydrophobicContact CB-CD2 4.33Å
667	P	79.9	Confident	84.7	Confident	54 Å²	54	48.7 Å²	48.7	35%	0.351	26%	0.258	S	S	.	.	S	Bend	trans	-67.2	-31.8	179	26.5	-33.9	0	0	0	112.8	T671	P667-T671 HydrophobicContact CG-CG2 4.22Å
668	D	82.8	Confident	86	Confident	67 Å²	67	45.4 Å²	45.4	36%	0.358	23%	0.231	S	C	.	.	S	Bend	trans	-150.7	170.3	-172.9	52.4	63.3	0	0	0	111.6	A666 E670 T671 F672	A666-D668 VanDerWaalsContact C-N 3.31Å; A666-D668 PolarHBondContact O-N 3.38Å; D668-E670 PolarHBondContact OD1-N 3.34Å; D668-T671 WeakPolarHBondContact OD1-CB 3.28Å; D668-T671 PolarHBondContact OD1-N 3.31Å; D668-T671 PolarHBondContact OD1-OG1 3.06Å; D668-T671 PolarHBondContact OD2-OG1 2.88Å; D668-F672 WeakPolarHBondContact O-CB 3.26Å; D668-F672 PolarHBondContact O-N 3.42Å; D668-F672 VanDerWaalsContact O-N 3.12Å
669	A	88.1	Confident	87.1	Confident	45 Å²	45	42.6 Å²	42.6	37%	0.372	22%	0.217	S	C	.	.	H	α-helix	trans	-67.2	-33.5	-178.7	0	0	0	0	0	113.4	F646 F672 D673	F646-A669 HydrophobicContact CD1-CB 4.19Å; F646-A669 HydrophobicContact CE1-CB 3.62Å; F646-A669 HydrophobicContact CZ-CB 3.85Å; A669-F672 WeakPolarHBondContact O-CB 3.31Å; A669-F672 PolarHBondContact O-N 3.31Å; A669-D673 WeakPolarHBondContact O-CB 3.44Å; A669-D673 PolarHBondContact O-N 3.47Å
670	E	89.6	Confident	88.2	Confident	116 Å²	116	35.1 Å²	35.1	54%	0.542	19%	0.185	S	C	.	.	H	α-helix	trans	-67.7	-50	179.9	-175.7	-179.7	169.3	0	0	110.4	D668 F672 D673 L674	D668-E670 PolarHBondContact OD1-N 3.34Å; E670-F672 PolarHBondContact O-N 3.07Å; E670-D673 PolarHBondContact O-N 3.26Å; E670-L674 HydrophobicContact CG-CD1 4.04Å; E670-L674 HydrophobicContact CG-CG 4.34Å; E670-L674 WeakPolarHBondContact O-CB 2.97Å; E670-L674 WeakPolarHBondContact O-CG 3.45Å; E670-L674 PolarHBondContact O-N 2.93Å
671	T	90.6	Very high	89.2	Confident	18 Å²	18	32 Å²	32	11%	0.11	17%	0.169	C	C	.	.	H	α-helix	trans	-58.4	-39.5	174.8	-56.9	0	0	0	0	111.1	Q601 F603 A666 P667 D668 W675	Q601-T671 HydrophobicContact CG-CG2 3.76Å; F603-T671 HydrophobicContact CE1-CG2 4.25Å; A666-T671 HydrophobicContact CB-CG2 4.24Å; P667-T671 HydrophobicContact CG-CG2 4.22Å; D668-T671 WeakPolarHBondContact OD1-CB 3.28Å; D668-T671 PolarHBondContact OD1-N 3.31Å; D668-T671 PolarHBondContact OD1-OG1 3.06Å; D668-T671 PolarHBondContact OD2-OG1 2.88Å; T671-W675 WeakPolarHBondContact O-CB 3.17Å; T671-W675 VanDerWaalsContact O-CD1 3.23Å; T671-W675 PolarHBondContact O-N 3.42Å
672	F	92.1	Very high	89.8	Confident	27 Å²	27	34.2 Å²	34.2	12%	0.118	18%	0.18	C	C	.	.	H	α-helix	trans	-62	-52.9	176	-178	-103.9	0	0	0	112.6	M627 F646 A647 F648 A666 D668 A669 E670 L674 W675 T676	M627-F672 HydrophobicContact CB-CZ 4.22Å; F646-F672 HydrophobicContact CB-CB 3.97Å; F646-F672 HydrophobicContact CB-CD2 4Å; F646-F672 HydrophobicContact CB-CG 4.04Å; F646-F672 HydrophobicContact CD1-CB 4.41Å; F646-F672 HydrophobicContact CD1-CG 4.46Å; F646-F672 HydrophobicContact CG-CB 4.44Å; F646-F672 WeakPolarHBondContact O-CD2 3.05Å; A647-F672 WeakPolarHBondContact O-CE2 3.5Å; F648-F672 HydrophobicContact CB-CE2 4.22Å; F648-F672 HydrophobicContact CD1-CD2 4.05Å; F648-F672 HydrophobicContact CD1-CE2 4.09Å; A666-F672 HydrophobicContact CB-CB 3.87Å; A666-F672 HydrophobicContact CB-CD2 4.33Å; D668-F672 WeakPolarHBondContact O-CB 3.26Å; D668-F672 PolarHBondContact O-N 3.42Å; D668-F672 VanDerWaalsContact O-N 3.12Å; A669-F672 WeakPolarHBondContact O-CB 3.31Å; A669-F672 PolarHBondContact O-N 3.31Å; E670-F672 PolarHBondContact O-N 3.07Å; F672-L674 PolarHBondContact O-N 3.46Å; F672-W675 PolarHBondContact O-N 2.97Å; F672-T676 HydrophobicContact CD2-CG2 4.12Å; F672-T676 HydrophobicContact CE1-CG2 4.25Å; F672-T676 HydrophobicContact CE2-CG2 3.8Å; F672-T676 HydrophobicContact CG-CG2 4.48Å; F672-T676 HydrophobicContact CZ-CG2 3.88Å; F672-T676 WeakPolarHBondContact O-CB 3.38Å; F672-T676 WeakPolarHBondContact O-CG2 3.46Å; F672-T676 PolarHBondContact O-N 3.07Å; F672-T676 PolarHBondContact O-OG1 2.86Å
673	D	93.1	Very high	90.1	Very high	22 Å²	22	33.3 Å²	33.3	12%	0.118	18%	0.179	C	C	.	.	H	α-helix	trans	-61.7	-45.1	179.1	-80.6	4.7	0	0	0	110.8	A669 E670 W675 T676 D677 S689 P690 H691	A669-D673 WeakPolarHBondContact O-CB 3.44Å; A669-D673 PolarHBondContact O-N 3.47Å; E670-D673 PolarHBondContact O-N 3.26Å; D673-W675 PolarHBondContact O-N 3.36Å; D673-T676 PolarHBondContact O-OG1 3.17Å; D673-D677 VanDerWaalsContact O-CB 3.29Å; D673-D677 WeakPolarHBondContact O-CB 3.43Å; D673-D677 VanDerWaalsContact O-CG 3.32Å; D673-D677 PolarHBondContact O-N 3.37Å; D673-S689 VanDerWaalsContact CG-CB 3.47Å; D673-P690 WeakPolarHBondContact OD2-CD 3.44Å; D673-H691 HydrophobicContact CB-CB 3.78Å; D673-H691 VanDerWaalsContact OD2-CB 3.27Å; D673-H691 WeakPolarHBondContact OD2-CB 3.14Å; D673-H691 PolarHBondContact OD2-N 2.76Å
674	L	93.5	Very high	90.3	Very high	27 Å²	27	35.4 Å²	35.4	14%	0.141	21%	0.207	C	C	.	.	H	α-helix	trans	-59.9	-43.2	178.6	-71.8	177.9	0	0	0	112.8	E670 F672 G678	E670-L674 HydrophobicContact CG-CD1 4.04Å; E670-L674 HydrophobicContact CG-CG 4.34Å; E670-L674 WeakPolarHBondContact O-CB 2.97Å; E670-L674 WeakPolarHBondContact O-CG 3.45Å; E670-L674 PolarHBondContact O-N 2.93Å; F672-L674 PolarHBondContact O-N 3.46Å; L674-G678 PolarHBondContact O-N 2.98Å
675	W	94	Very high	90.5	Very high	41 Å²	41	37 Å²	37	16%	0.155	22%	0.218	C	C	.	.	H	α-helix	trans	-77	-41.1	-179.4	-85.9	76.8	0	0	0	112.8	M597 Q601 F603 F648 T671 F672 D673 G678 L679	M597-W675 HydrophobicContact CE-CE3 3.88Å; M597-W675 HydrophobicContact CE-CZ3 3.82Å; M597-W675 HydrophobicContact CG-CD2 4.43Å; M597-W675 HydrophobicContact CG-CE3 4.33Å; M597-W675 HydrophobicContact CG-CZ3 4.47Å; Q601-W675 HydrophobicContact CB-CH2 4.46Å; Q601-W675 HydrophobicContact CB-CZ2 3.43Å; Q601-W675 VanDerWaalsContact CB-CZ2 3.43Å; F603-W675 AromaticContact CE2-CD2 3.97Å; F603-W675 HydrophobicContact CE2-CD2 3.97Å; F603-W675 HydrophobicContact CE2-CE3 4.03Å; F603-W675 HydrophobicContact CE2-CH2 4.26Å; F603-W675 HydrophobicContact CE2-CZ2 4.2Å; F603-W675 HydrophobicContact CE2-CZ3 4.17Å; F603-W675 AromaticContact CZ-CD2 3.62Å; F603-W675 HydrophobicContact CZ-CD2 3.62Å; F603-W675 AromaticContact CZ-CE2 3.85Å; F603-W675 HydrophobicContact CZ-CE3 4.04Å; F603-W675 AromaticContact CZ-CG 3.79Å; F603-W675 HydrophobicContact CZ-CG 3.79Å; F603-W675 HydrophobicContact CZ-CZ2 4.48Å; F648-W675 HydrophobicContact CZ-CB 4.4Å; T671-W675 WeakPolarHBondContact O-CB 3.17Å; T671-W675 VanDerWaalsContact O-CD1 3.23Å; T671-W675 PolarHBondContact O-N 3.42Å; F672-W675 PolarHBondContact O-N 2.97Å; D673-W675 PolarHBondContact O-N 3.36Å; W675-G678 PolarHBondContact O-N 3.4Å; W675-L679 WeakPolarHBondContact O-CB 3.47Å; W675-L679 WeakPolarHBondContact O-CD1 3.34Å; W675-L679 VanDerWaalsContact O-CG 3.24Å; W675-L679 WeakPolarHBondContact O-CG 3.28Å; W675-L679 PolarHBondContact O-N 3.44Å
676	T	93.8	Very high	90.8	Very high	6 Å²	6	43.6 Å²	43.6	4%	0.037	25%	0.247	C	C	.	.	H	α-helix	trans	-66.6	-44.8	178.8	52.8	0	0	0	0	111.4	M627 F648 F672 D673 G678 L679 M680	M627-T676 HydrophobicContact CG-CG2 4.06Å; M627-T676 HydrophobicContact SD-CG2 3.59Å; M627-T676 VanDerWaalsContact SD-CG2 3.59Å; F648-T676 HydrophobicContact CB-CG2 4.38Å; F648-T676 HydrophobicContact CD1-CG2 4.48Å; F648-T676 HydrophobicContact CG-CG2 4.49Å; F672-T676 HydrophobicContact CD2-CG2 4.12Å; F672-T676 HydrophobicContact CE1-CG2 4.25Å; F672-T676 HydrophobicContact CE2-CG2 3.8Å; F672-T676 HydrophobicContact CG-CG2 4.48Å; F672-T676 HydrophobicContact CZ-CG2 3.88Å; F672-T676 WeakPolarHBondContact O-CB 3.38Å; F672-T676 WeakPolarHBondContact O-CG2 3.46Å; F672-T676 PolarHBondContact O-N 3.07Å; F672-T676 PolarHBondContact O-OG1 2.86Å; D673-T676 PolarHBondContact O-OG1 3.17Å; T676-G678 VanDerWaalsContact C-N 3.33Å; T676-G678 PolarHBondContact O-N 3.39Å; T676-L679 PolarHBondContact O-N 3.02Å; T676-M680 WeakPolarHBondContact O-CG 3.45Å; T676-M680 PolarHBondContact O-N 3.25Å
677	D	94.9	Very high	91.1	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.005	25%	0.251	C	S	.	.	H	α-helix	trans	-60.9	-40.5	173.1	-75.5	-29	0	0	0	112.5	R593 D673 M680 T681 M687 V688 S689 F692	R593-D677 HydrophobicContact CG-CB 3.96Å; R593-D677 IonicContact NE-OD2 3.1Å; D673-D677 VanDerWaalsContact O-CB 3.29Å; D673-D677 WeakPolarHBondContact O-CB 3.43Å; D673-D677 VanDerWaalsContact O-CG 3.32Å; D673-D677 PolarHBondContact O-N 3.37Å; D677-M680 PolarHBondContact O-N 3.48Å; D677-T681 WeakPolarHBondContact O-CB 3.43Å; D677-T681 PolarHBondContact O-N 3.28Å; D677-T681 PolarHBondContact O-OG1 2.73Å; D677-M687 HydrophobicContact CB-CB 4.16Å; D677-M687 HydrophobicContact CB-CG 3.72Å; D677-M687 HydrophobicContact CB-SD 3.96Å; D677-M687 WeakPolarHBondContact OD1-CB 3.46Å; D677-V688 PolarHBondContact OD1-N 2.68Å; D677-S689 VanDerWaalsContact CG-OG 3.24Å; D677-S689 WeakPolarHBondContact OD1-CB 3.49Å; D677-S689 PolarHBondContact OD1-N 2.82Å; D677-S689 PolarHBondContact OD1-OG 3.34Å; D677-S689 WeakPolarHBondContact OD2-CB 3.43Å; D677-S689 PolarHBondContact OD2-OG 3.39Å; D677-F692 VanDerWaalsContact OD2-CB 3.22Å; D677-F692 WeakPolarHBondContact OD2-CB 3.49Å
678	G	95	Very high	91.5	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-63.8	-41.6	176.3	0	0	0	0	0	112.6	M597 L674 W675 T676 T681 L682	M597-G678 VanDerWaalsContact SD-CA 3.52Å; L674-G678 PolarHBondContact O-N 2.98Å; W675-G678 PolarHBondContact O-N 3.4Å; T676-G678 VanDerWaalsContact C-N 3.33Å; T676-G678 PolarHBondContact O-N 3.39Å; G678-T681 WeakPolarHBondContact O-CB 3.27Å; G678-T681 PolarHBondContact O-N 3.07Å; G678-L682 WeakPolarHBondContact O-CG 3.32Å; G678-L682 PolarHBondContact O-N 2.7Å
679	L	93.6	Very high	91.9	Very high	6 Å²	6	42.4 Å²	42.4	3%	0.031	24%	0.24	C	C	.	.	H	α-helix	trans	-66.6	-42.4	174.9	-74	161.1	0	0	0	111.9	M597 I622 V625 F648 L650 W675 T676 T681 L682 L683	M597-L679 HydrophobicContact CE-CD2 3.64Å; M597-L679 HydrophobicContact CE-CG 3.73Å; M597-L679 HydrophobicContact SD-CG 4.47Å; I622-L679 HydrophobicContact CD1-CD2 4.43Å; V625-L679 HydrophobicContact CG1-CD1 4.44Å; V625-L679 HydrophobicContact CG2-CB 3.94Å; V625-L679 HydrophobicContact CG2-CD1 4.18Å; V625-L679 HydrophobicContact CG2-CD2 4.48Å; V625-L679 HydrophobicContact CG2-CG 4.44Å; F648-L679 HydrophobicContact CD2-CD1 3.99Å; F648-L679 HydrophobicContact CE2-CD1 3.81Å; L650-L679 HydrophobicContact CD2-CD1 3.68Å; L650-L679 HydrophobicContact CD2-CD2 3.76Å; L650-L679 HydrophobicContact CD2-CG 4.36Å; W675-L679 WeakPolarHBondContact O-CB 3.47Å; W675-L679 WeakPolarHBondContact O-CD1 3.34Å; W675-L679 VanDerWaalsContact O-CG 3.24Å; W675-L679 WeakPolarHBondContact O-CG 3.28Å; W675-L679 PolarHBondContact O-N 3.44Å; T676-L679 PolarHBondContact O-N 3.02Å; L679-T681 VanDerWaalsContact C-N 3.32Å; L679-T681 PolarHBondContact O-N 2.77Å; L679-L682 PolarHBondContact O-N 2.81Å; L679-L683 WeakPolarHBondContact O-CG 3.4Å; L679-L683 PolarHBondContact O-N 3.26Å
680	M	92.8	Very high	91.9	Very high	18 Å²	18	44.8 Å²	44.8	9%	0.089	25%	0.252	C	S	.	.	H	α-helix	trans	-60.2	-44.5	174.2	-68.1	-52.7	166.6	0	0	111	V625 M627 T676 D677 L682 L683 G684 N685	V625-M680 HydrophobicContact CB-CE 4.13Å; M627-M680 HydrophobicContact CE-CE 3.56Å; M627-M680 HydrophobicContact SD-CE 3.62Å; T676-M680 WeakPolarHBondContact O-CG 3.45Å; T676-M680 PolarHBondContact O-N 3.25Å; D677-M680 PolarHBondContact O-N 3.48Å; M680-L682 VanDerWaalsContact C-N 3.33Å; M680-L682 PolarHBondContact O-N 3.47Å; M680-L683 CarbonylContact O-C 3.19Å; M680-L683 PolarHBondContact O-N 3.09Å; M680-L683 VanDerWaalsContact O-N 3.13Å; M680-G684 PolarHBondContact O-N 3.01Å; M680-G684 VanDerWaalsContact O-N 3.11Å; M680-N685 CarbonylContact C-O 3.55Å; M680-N685 HydrophobicContact CB-CB 3.96Å; M680-N685 HydrophobicContact CG-CB 4.42Å; M680-N685 PolarHBondContact O-N 3.39Å; M680-N685 HydrophobicContact SD-CB 3.92Å
681	T	92.8	Very high	91.9	Very high	34 Å²	34	42 Å²	42	21%	0.209	24%	0.239	C	C	.	.	H	α-helix	trans	-56.4	-44.7	174.1	-58.9	0	0	0	0	112	A590 L594 D677 G678 L679 L683 G684	A590-T681 HydrophobicContact CB-CG2 3.74Å; L594-T681 HydrophobicContact CD1-CG2 3.89Å; L594-T681 HydrophobicContact CD2-CG2 4.08Å; L594-T681 HydrophobicContact CG-CG2 3.96Å; D677-T681 WeakPolarHBondContact O-CB 3.43Å; D677-T681 PolarHBondContact O-N 3.28Å; D677-T681 PolarHBondContact O-OG1 2.73Å; G678-T681 WeakPolarHBondContact O-CB 3.27Å; G678-T681 PolarHBondContact O-N 3.07Å; L679-T681 VanDerWaalsContact C-N 3.32Å; L679-T681 PolarHBondContact O-N 2.77Å; T681-L683 VanDerWaalsContact C-N 3.31Å; T681-L683 PolarHBondContact O-N 3.38Å; T681-G684 PolarHBondContact O-N 2.79Å
682	L	92.5	Very high	91.9	Very high	66 Å²	66	41.7 Å²	41.7	35%	0.346	24%	0.236	S	C	.	.	H	α-helix	trans	-66.2	-31.6	178.1	-74.7	171.3	0	0	0	113.3	L594 M597 I619 G678 L679 M680 G684	L594-L682 HydrophobicContact CD2-CD1 4.33Å; L594-L682 HydrophobicContact CD2-CD2 3.45Å; L594-L682 VanDerWaalsContact CD2-CD2 3.45Å; L594-L682 HydrophobicContact CD2-CG 3.55Å; M597-L682 HydrophobicContact CE-CD1 3.62Å; M597-L682 HydrophobicContact SD-CD1 3.64Å; M597-L682 HydrophobicContact SD-CG 4.45Å; I619-L682 HydrophobicContact CD1-CD1 4.04Å; I619-L682 HydrophobicContact CD1-CD2 4.32Å; I619-L682 HydrophobicContact CG2-CB 3.94Å; I619-L682 HydrophobicContact CG2-CD1 3.98Å; I619-L682 HydrophobicContact CG2-CD2 4.22Å; I619-L682 HydrophobicContact CG2-CG 4.27Å; G678-L682 WeakPolarHBondContact O-CG 3.32Å; G678-L682 PolarHBondContact O-N 2.7Å; L679-L682 PolarHBondContact O-N 2.81Å; M680-L682 VanDerWaalsContact C-N 3.33Å; M680-L682 PolarHBondContact O-N 3.47Å; L682-G684 VanDerWaalsContact C-N 3.31Å
683	L	91	Very high	91.8	Very high	44 Å²	44	46.2 Å²	46.2	23%	0.23	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84	-2.4	177.1	-67.8	172.7	0	0	0	113.5	I622 V625 L679 M680 T681 N685	I622-L683 HydrophobicContact CB-CD2 4.25Å; I622-L683 HydrophobicContact CG2-CD1 4.42Å; I622-L683 HydrophobicContact CG2-CD2 4.11Å; I622-L683 VanDerWaalsContact O-CD2 3.28Å; I622-L683 WeakPolarHBondContact O-CD2 3.32Å; V625-L683 HydrophobicContact CG2-CD1 3.89Å; L679-L683 WeakPolarHBondContact O-CG 3.4Å; L679-L683 PolarHBondContact O-N 3.26Å; M680-L683 CarbonylContact O-C 3.19Å; M680-L683 PolarHBondContact O-N 3.09Å; M680-L683 VanDerWaalsContact O-N 3.13Å; T681-L683 VanDerWaalsContact C-N 3.31Å; T681-L683 PolarHBondContact O-N 3.38Å; L683-N685 VanDerWaalsContact C-N 3.28Å
684	G	90.2	Very high	91.5	Very high	71 Å²	71	50.3 Å²	50.3	73%	0.732	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.7	13	-175.5	0	0	0	0	0	114.5	M680 T681 L682	M680-G684 PolarHBondContact O-N 3.01Å; M680-G684 VanDerWaalsContact O-N 3.11Å; T681-G684 PolarHBondContact O-N 2.79Å; L682-G684 VanDerWaalsContact C-N 3.31Å
685	N	91.1	Very high	91.2	Very high	86 Å²	86	50.7 Å²	50.7	46%	0.46	28%	0.275	S	S	.	.	P	Polyproline II helix	trans	-87.3	157.5	175.1	-65.5	-32.4	0	0	0	111.1	M680 L683	M680-N685 CarbonylContact C-O 3.55Å; M680-N685 HydrophobicContact CB-CB 3.96Å; M680-N685 HydrophobicContact CG-CB 4.42Å; M680-N685 PolarHBondContact O-N 3.39Å; M680-N685 HydrophobicContact SD-CB 3.92Å; L683-N685 VanDerWaalsContact C-N 3.28Å
686	E	89.9	Confident	90.9	Very high	166 Å²	166	49 Å²	49	78%	0.776	27%	0.27	S	S	*	.	P	Polyproline II helix	trans	-69	143.2	172.7	-62.3	-169.7	155.6	0	0	111.7
687	M	91.7	Very high	90.4	Very high	18 Å²	18	53.7 Å²	53.7	9%	0.089	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-70.9	136.3	168.5	-67.8	176.9	-76.9	0	0	109.4	V589 A590 R593 D677 F692	V589-M687 HydrophobicContact CG1-SD 4.47Å; A590-M687 HydrophobicContact CB-CE 3.7Å; A590-M687 HydrophobicContact CB-SD 4.33Å; R593-M687 HydrophobicContact CG-SD 4.07Å; D677-M687 HydrophobicContact CB-CB 4.16Å; D677-M687 HydrophobicContact CB-CG 3.72Å; D677-M687 HydrophobicContact CB-SD 3.96Å; D677-M687 WeakPolarHBondContact OD1-CB 3.46Å; M687-F692 HydrophobicContact CB-CB 4.13Å; M687-F692 HydrophobicContact CB-CD1 3.58Å; M687-F692 HydrophobicContact CB-CD2 3.75Å; M687-F692 HydrophobicContact CB-CE1 3.87Å; M687-F692 HydrophobicContact CB-CE2 4.06Å; M687-F692 HydrophobicContact CB-CG 3.52Å; M687-F692 HydrophobicContact CB-CZ 4.11Å; M687-F692 HydrophobicContact CE-CD2 3.72Å; M687-F692 HydrophobicContact CE-CE2 3.39Å; M687-F692 HydrophobicContact CE-CZ 4.09Å; M687-F692 HydrophobicContact CG-CD2 4.4Å; M687-F692 VanDerWaalsContact O-CD1 3.23Å; M687-F692 WeakPolarHBondContact O-CD1 3.32Å; M687-F692 WeakPolarHBondContact O-CE1 3.46Å; M687-F692 HydrophobicContact SD-CD2 3.79Å; M687-F692 HydrophobicContact SD-CE2 4.12Å; M687-F692 HydrophobicContact SD-CG 4.4Å
688	V	88.6	Confident	89.8	Confident	72 Å²	72	55.2 Å²	55.2	44%	0.436	30%	0.299	S	S	.	.			trans	-132.2	-6.1	-170.5	-67.2	0	0	0	0	114.2	D677 K693	D677-V688 PolarHBondContact OD1-N 2.68Å; V688-K693 WeakPolarHBondContact O-CE 3.2Å; V688-K693 PolarHBondContact O-NZ 2.84Å
689	S	91.1	Very high	89.4	Confident	7 Å²	7	60.3 Å²	60.3	5%	0.049	32%	0.318	C	S	.	.			trans	-61.3	154.7	-175.1	81.4	0	0	0	0	112.8	D673 D677 H691 F692 K693	D673-S689 VanDerWaalsContact CG-CB 3.47Å; D677-S689 VanDerWaalsContact CG-OG 3.24Å; D677-S689 WeakPolarHBondContact OD1-CB 3.49Å; D677-S689 PolarHBondContact OD1-N 2.82Å; D677-S689 PolarHBondContact OD1-OG 3.34Å; D677-S689 WeakPolarHBondContact OD2-CB 3.43Å; D677-S689 PolarHBondContact OD2-OG 3.39Å; S689-H691 VanDerWaalsContact C-N 3.25Å; S689-H691 PolarHBondContact O-N 2.97Å; S689-H691 PolarHBondContact OG-N 3.11Å; S689-F692 PolarHBondContact O-N 3.43Å; S689-F692 WeakPolarHBondContact OG-CB 3.41Å; S689-F692 PolarHBondContact OG-N 3.17Å; S689-K693 WeakPolarHBondContact O-CG 3.27Å; S689-K693 PolarHBondContact O-N 2.85Å; S689-K693 VanDerWaalsContact O-N 3.15Å
690	P	88.7	Confident	88.9	Confident	94 Å²	94	60.2 Å²	60.2	61%	0.61	32%	0.318	S	S	*	.	H	α-helix	trans	-53.4	-43.8	168.1	-24.8	34.3	0	0	0	112.1	D673 K693 Q694	D673-P690 WeakPolarHBondContact OD2-CD 3.44Å; P690-K693 PolarHBondContact O-N 2.94Å; P690-Q694 PolarHBondContact O-N 2.92Å
691	H	88.4	Confident	88.1	Confident	58 Å²	58	60.4 Å²	60.4	27%	0.269	32%	0.319	S	S	.	.	H	α-helix	trans	-63.7	-42.7	-179	-164.4	79.1	0	0	0	112.7	R593 D673 S689 Q694 E695	R593-H691 PolarHBondContact NH2-CD2 2.8Å; D673-H691 HydrophobicContact CB-CB 3.78Å; D673-H691 VanDerWaalsContact OD2-CB 3.27Å; D673-H691 WeakPolarHBondContact OD2-CB 3.14Å; D673-H691 PolarHBondContact OD2-N 2.76Å; S689-H691 VanDerWaalsContact C-N 3.25Å; S689-H691 PolarHBondContact O-N 2.97Å; S689-H691 PolarHBondContact OG-N 3.11Å; H691-Q694 PolarHBondContact O-N 2.69Å; H691-E695 VanDerWaalsContact O-CB 3.32Å; H691-E695 WeakPolarHBondContact O-CB 3.34Å; H691-E695 PolarHBondContact O-N 2.75Å
692	F	92	Very high	87.4	Confident	12 Å²	12	60.9 Å²	60.9	5%	0.053	32%	0.319	C	S	.	.	H	α-helix	trans	-61.5	-43	173.3	163.8	-104.6	0	0	0	112.5	F586 V589 D677 M687 S689 E695 S696	F586-F692 HydrophobicContact CD1-CE2 4.04Å; F586-F692 AromaticContact CD1-CZ 3.75Å; F586-F692 HydrophobicContact CD1-CZ 3.75Å; F586-F692 AromaticContact CD2-CZ 3.97Å; F586-F692 HydrophobicContact CD2-CZ 3.97Å; F586-F692 HydrophobicContact CE1-CE2 4.42Å; F586-F692 AromaticContact CE1-CZ 3.81Å; F586-F692 HydrophobicContact CE1-CZ 3.81Å; F586-F692 HydrophobicContact CE2-CZ 4.02Å; F586-F692 HydrophobicContact CG-CE2 4.22Å; F586-F692 AromaticContact CG-CZ 3.83Å; F586-F692 HydrophobicContact CG-CZ 3.83Å; F586-F692 AromaticContact CZ-CZ 3.94Å; F586-F692 HydrophobicContact CZ-CZ 3.94Å; V589-F692 HydrophobicContact CB-CD2 4.32Å; V589-F692 HydrophobicContact CB-CE2 4.37Å; V589-F692 HydrophobicContact CG1-CD2 3.76Å; V589-F692 HydrophobicContact CG1-CE2 4.3Å; D677-F692 VanDerWaalsContact OD2-CB 3.22Å; D677-F692 WeakPolarHBondContact OD2-CB 3.49Å; M687-F692 HydrophobicContact CB-CB 4.13Å; M687-F692 HydrophobicContact CB-CD1 3.58Å; M687-F692 HydrophobicContact CB-CD2 3.75Å; M687-F692 HydrophobicContact CB-CE1 3.87Å; M687-F692 HydrophobicContact CB-CE2 4.06Å; M687-F692 HydrophobicContact CB-CG 3.52Å; M687-F692 HydrophobicContact CB-CZ 4.11Å; M687-F692 HydrophobicContact CE-CD2 3.72Å; M687-F692 HydrophobicContact CE-CE2 3.39Å; M687-F692 HydrophobicContact CE-CZ 4.09Å; M687-F692 HydrophobicContact CG-CD2 4.4Å; M687-F692 VanDerWaalsContact O-CD1 3.23Å; M687-F692 WeakPolarHBondContact O-CD1 3.32Å; M687-F692 WeakPolarHBondContact O-CE1 3.46Å; M687-F692 HydrophobicContact SD-CD2 3.79Å; M687-F692 HydrophobicContact SD-CE2 4.12Å; M687-F692 HydrophobicContact SD-CG 4.4Å; S689-F692 PolarHBondContact O-N 3.43Å; S689-F692 WeakPolarHBondContact OG-CB 3.41Å; S689-F692 PolarHBondContact OG-N 3.17Å; F692-E695 PolarHBondContact O-N 2.85Å; F692-S696 WeakPolarHBondContact O-CB 3.32Å; F692-S696 PolarHBondContact O-N 3.31Å; F692-S696 PolarHBondContact O-OG 3.07Å
693	K	89.9	Confident	86.9	Confident	122 Å²	122	58.9 Å²	58.9	53%	0.53	31%	0.308	S	S	.	.	H	α-helix	trans	-62.9	-45.2	179.4	-73.1	167.8	-179.7	152.9	0	111.3	V688 S689 P690 S696 E697	V688-K693 WeakPolarHBondContact O-CE 3.2Å; V688-K693 PolarHBondContact O-NZ 2.84Å; S689-K693 WeakPolarHBondContact O-CG 3.27Å; S689-K693 PolarHBondContact O-N 2.85Å; S689-K693 VanDerWaalsContact O-N 3.15Å; P690-K693 PolarHBondContact O-N 2.94Å; K693-S696 PolarHBondContact O-OG 3.38Å; K693-E697 VanDerWaalsContact O-CB 3.31Å; K693-E697 WeakPolarHBondContact O-CB 3.41Å; K693-E697 PolarHBondContact O-N 3.31Å; K693-E697 VanDerWaalsContact O-N 3.12Å
694	Q	86	Confident	86.2	Confident	108 Å²	108	56.9 Å²	56.9	51%	0.505	30%	0.298	S	S	.	.	H	α-helix	trans	-63.4	-49.3	177	-174.4	176.6	5.3	0	0	112	P690 H691 L698	P690-Q694 PolarHBondContact O-N 2.92Å; H691-Q694 PolarHBondContact O-N 2.69Å; Q694-L698 WeakPolarHBondContact O-CB 3.34Å; Q694-L698 PolarHBondContact O-N 2.97Å; Q694-L698 VanDerWaalsContact O-N 3.09Å
695	E	87.7	Confident	85.3	Confident	35 Å²	35	55 Å²	55	16%	0.164	27%	0.269	C	S	.	.	H	α-helix	trans	-68.7	-42.1	-177.1	-168.5	-171.4	-172.6	0	0	112.3	V589 R593 H691 F692 L698 W699	V589-E695 WeakPolarHBondContact CG1-OE2 3.46Å; R593-E695 IonicContact CZ-OE2 3.55Å; R593-E695 IonicContact NH1-OE2 2.7Å; R593-E695 PolarHBondContact NH1-OE2 3.18Å; R593-E695 IonicContact NH2-OE2 2.65Å; R593-E695 PolarHBondContact NH2-OE2 3.14Å; H691-E695 VanDerWaalsContact O-CB 3.32Å; H691-E695 WeakPolarHBondContact O-CB 3.34Å; H691-E695 PolarHBondContact O-N 2.75Å; F692-E695 PolarHBondContact O-N 2.85Å; E695-L698 WeakPolarHBondContact O-CB 3.28Å; E695-L698 PolarHBondContact O-N 3.14Å; E695-W699 PolarHBondContact O-N 3.42Å; E695-W699 PolarHBondContact OE1-NE1 3.47Å
696	S	87.6	Confident	84.8	Confident	6 Å²	6	55.8 Å²	55.8	4%	0.042	27%	0.272	C	S	.	.	H	α-helix	trans	-70.2	-34.6	179.9	65.5	0	0	0	0	112.7	F692 K693 L700	F692-S696 WeakPolarHBondContact O-CB 3.32Å; F692-S696 PolarHBondContact O-N 3.31Å; F692-S696 PolarHBondContact O-OG 3.07Å; K693-S696 PolarHBondContact O-OG 3.38Å; S696-L700 WeakPolarHBondContact O-CB 3.29Å; S696-L700 WeakPolarHBondContact O-CD1 3.18Å; S696-L700 VanDerWaalsContact O-CG 3.3Å; S696-L700 WeakPolarHBondContact O-CG 3.33Å; S696-L700 PolarHBondContact O-N 3.25Å
697	E	83.9	Confident	84.2	Confident	104 Å²	104	53.4 Å²	53.4	49%	0.486	26%	0.256	S	S	.	.	H	α-helix	trans	-66.2	-43.6	172	174.6	145.7	-128.7	0	0	111.9	K578 K693 L700 N701	K578-E697 IonicContact NZ-OE1 2.7Å; K578-E697 PolarHBondContact NZ-OE1 3.23Å; K578-E697 VanDerWaalsContact NZ-OE1 3.08Å; K693-E697 VanDerWaalsContact O-CB 3.31Å; K693-E697 WeakPolarHBondContact O-CB 3.41Å; K693-E697 PolarHBondContact O-N 3.31Å; K693-E697 VanDerWaalsContact O-N 3.12Å; E697-L700 PolarHBondContact O-N 2.95Å; E697-N701 VanDerWaalsContact CG-ND2 3.31Å; E697-N701 WeakPolarHBondContact CG-ND2 3.48Å; E697-N701 VanDerWaalsContact O-CB 3.31Å; E697-N701 WeakPolarHBondContact O-CB 3.5Å; E697-N701 PolarHBondContact O-N 3.14Å; E697-N701 PolarHBondContact O-ND2 2.85Å
698	L	80.8	Confident	83.3	Confident	33 Å²	33	53 Å²	53	17%	0.173	25%	0.254	C	S	.	.	H	α-helix	trans	-48.3	-60.7	170.3	152.4	59.6	0	0	0	110.9	S551 Q694 E695 L700 N701 M702	S551-L698 WeakPolarHBondContact O-CD1 3.44Å; Q694-L698 WeakPolarHBondContact O-CB 3.34Å; Q694-L698 PolarHBondContact O-N 2.97Å; Q694-L698 VanDerWaalsContact O-N 3.09Å; E695-L698 WeakPolarHBondContact O-CB 3.28Å; E695-L698 PolarHBondContact O-N 3.14Å; L698-L700 VanDerWaalsContact C-N 3.34Å; L698-L700 PolarHBondContact O-N 2.82Å; L698-N701 PolarHBondContact O-N 2.87Å; L698-N701 VanDerWaalsContact O-N 3.16Å; L698-M702 HydrophobicContact CD1-CG 3.98Å; L698-M702 HydrophobicContact CD1-SD 3.54Å; L698-M702 VanDerWaalsContact CD1-SD 3.54Å; L698-M702 HydrophobicContact CG-SD 4.35Å; L698-M702 WeakPolarHBondContact O-CG 3.4Å; L698-M702 PolarHBondContact O-N 3.31Å
699	W	86.3	Confident	82.5	Confident	107 Å²	107	53.3 Å²	53.3	41%	0.405	25%	0.253	S	S	.	.	H	α-helix	trans	-65.9	-34.8	-174.8	-69.7	121.9	0	0	0	112.9	I585 E695 M702 E703	I585-W699 HydrophobicContact CD1-CB 4.35Å; I585-W699 HydrophobicContact CG2-CB 3.46Å; I585-W699 VanDerWaalsContact CG2-CB 3.46Å; I585-W699 HydrophobicContact CG2-CG 4.46Å; E695-W699 PolarHBondContact O-N 3.42Å; E695-W699 PolarHBondContact OE1-NE1 3.47Å; W699-M702 HydrophobicContact CD2-SD 4.36Å; W699-M702 HydrophobicContact CE3-CE 4.02Å; W699-M702 HydrophobicContact CE3-SD 3.45Å; W699-M702 HydrophobicContact CH2-SD 4.46Å; W699-M702 HydrophobicContact CZ3-CE 3.61Å; W699-M702 HydrophobicContact CZ3-SD 3.52Å; W699-M702 VanDerWaalsContact CZ3-SD 3.52Å; W699-M702 PolarHBondContact O-N 2.99Å; W699-E703 PolarHBondContact O-N 2.8Å
700	L	83.3	Confident	81.4	Confident	4 Å²	4	61.1 Å²	61.1	2%	0.021	29%	0.289	C	S	.	.	H	α-helix	trans	-65.4	-41.1	173.8	-81.9	163.4	0	0	0	112.5	K578 M581 K582 I585 F586 S696 E697 L698 L704	K578-L700 HydrophobicContact CG-CB 4.41Å; K578-L700 HydrophobicContact CG-CD2 4.36Å; M581-L700 HydrophobicContact CB-CD2 3.99Å; K582-L700 HydrophobicContact CB-CD2 4.48Å; K582-L700 HydrophobicContact CG-CD1 3.59Å; K582-L700 HydrophobicContact CG-CD2 4.04Å; K582-L700 HydrophobicContact CG-CG 4.48Å; I585-L700 HydrophobicContact CB-CD2 4.03Å; I585-L700 HydrophobicContact CB-CG 4Å; I585-L700 HydrophobicContact CG1-CD2 3.66Å; I585-L700 HydrophobicContact CG1-CG 3.96Å; I585-L700 HydrophobicContact CG2-CG 4.03Å; F586-L700 HydrophobicContact CE1-CD1 3.86Å; S696-L700 WeakPolarHBondContact O-CB 3.29Å; S696-L700 WeakPolarHBondContact O-CD1 3.18Å; S696-L700 VanDerWaalsContact O-CG 3.3Å; S696-L700 WeakPolarHBondContact O-CG 3.33Å; S696-L700 PolarHBondContact O-N 3.25Å; E697-L700 PolarHBondContact O-N 2.95Å; L698-L700 VanDerWaalsContact C-N 3.34Å; L698-L700 PolarHBondContact O-N 2.82Å; L700-L704 VanDerWaalsContact O-CB 3.24Å; L700-L704 WeakPolarHBondContact O-CB 3.34Å; L700-L704 PolarHBondContact O-N 3.34Å
701	N	76.4	Confident	80.5	Confident	22 Å²	22	59.7 Å²	59.7	12%	0.118	28%	0.276	C	S	.	.	H	α-helix	trans	-67.6	-40.7	177.8	-69.5	-23.6	0	0	0	110.1	K578 E697 L698 R705	K578-N701 PolarHBondContact NZ-OD1 3.07Å; E697-N701 VanDerWaalsContact CG-ND2 3.31Å; E697-N701 WeakPolarHBondContact CG-ND2 3.48Å; E697-N701 VanDerWaalsContact O-CB 3.31Å; E697-N701 WeakPolarHBondContact O-CB 3.5Å; E697-N701 PolarHBondContact O-N 3.14Å; E697-N701 PolarHBondContact O-ND2 2.85Å; L698-N701 PolarHBondContact O-N 2.87Å; L698-N701 VanDerWaalsContact O-N 3.16Å; N701-R705 VanDerWaalsContact C-NH1 3.26Å; N701-R705 WeakPolarHBondContact O-CD 3.47Å; N701-R705 WeakPolarHBondContact O-CG 3.36Å; N701-R705 PolarHBondContact O-N 3.29Å; N701-R705 PolarHBondContact O-NE 3.16Å; N701-R705 PolarHBondContact O-NH1 3.3Å
702	M	78.3	Confident	79.2	Confident	43 Å²	43	60.6 Å²	60.6	21%	0.212	28%	0.28	C	S	.	.	H	α-helix	trans	-58	-55.6	172.4	-69.6	176.4	66.9	0	0	112.7	Q554 L698 W699 L704 R705 L706	Q554-M702 HydrophobicContact CB-CG 4.37Å; Q554-M702 PolarHBondContact OE1-SD 3.26Å; L698-M702 HydrophobicContact CD1-CG 3.98Å; L698-M702 HydrophobicContact CD1-SD 3.54Å; L698-M702 VanDerWaalsContact CD1-SD 3.54Å; L698-M702 HydrophobicContact CG-SD 4.35Å; L698-M702 WeakPolarHBondContact O-CG 3.4Å; L698-M702 PolarHBondContact O-N 3.31Å; W699-M702 HydrophobicContact CD2-SD 4.36Å; W699-M702 HydrophobicContact CE3-CE 4.02Å; W699-M702 HydrophobicContact CE3-SD 3.45Å; W699-M702 HydrophobicContact CH2-SD 4.46Å; W699-M702 HydrophobicContact CZ3-CE 3.61Å; W699-M702 HydrophobicContact CZ3-SD 3.52Å; W699-M702 VanDerWaalsContact CZ3-SD 3.52Å; W699-M702 PolarHBondContact O-N 2.99Å; M702-L704 VanDerWaalsContact C-N 3.34Å; M702-L704 PolarHBondContact O-N 2.9Å; M702-R705 PolarHBondContact O-N 3.18Å; M702-R705 VanDerWaalsContact O-N 3.13Å; M702-L706 PolarHBondContact O-N 3.25Å
703	E	82.1	Confident	77.9	Confident	25 Å²	25	65.1 Å²	65.1	12%	0.117	31%	0.313	C	S	.	.	H	α-helix	trans	-60.9	-42.1	-178.6	179.1	75.6	-173.6	0	0	111.6	M581 R584 I585 W699 R705 L706 R707	M581-E703 HydrophobicContact CE-CG 4.35Å; M581-E703 HydrophobicContact CG-CG 4.38Å; M581-E703 HydrophobicContact SD-CB 4.34Å; M581-E703 HydrophobicContact SD-CG 3.45Å; M581-E703 WeakPolarHBondContact SD-CG 3.5Å; R584-E703 IonicContact CZ-OE1 3.07Å; R584-E703 IonicContact CZ-OE2 3.71Å; R584-E703 IonicContact NH1-OE1 2.75Å; R584-E703 PolarHBondContact NH1-OE1 3.22Å; R584-E703 IonicContact NH2-OE1 2.71Å; R584-E703 PolarHBondContact NH2-OE1 2.94Å; R584-E703 VanDerWaalsContact NH2-OE1 3.1Å; R584-E703 IonicContact NH2-OE2 3.93Å; R584-E703 PolarHBondContact NH2-OE2 3.2Å; I585-E703 HydrophobicContact CD1-CB 4.25Å; W699-E703 PolarHBondContact O-N 2.8Å; E703-R705 PolarHBondContact O-N 3.38Å; E703-L706 WeakPolarHBondContact O-CB 3.39Å; E703-L706 PolarHBondContact O-N 3.09Å; E703-L706 VanDerWaalsContact O-N 3.15Å; E703-R707 WeakPolarHBondContact O-CG 3.19Å; E703-R707 PolarHBondContact O-N 2.96Å; E703-R707 IonicContact OE1-CZ 3.95Å; E703-R707 VanDerWaalsContact OE1-CZ 3.29Å; E703-R707 IonicContact OE1-NE 2.84Å; E703-R707 PolarHBondContact OE1-NE 2.87Å; E703-R707 IonicContact OE1-NH2 3.29Å; E703-R707 PolarHBondContact OE1-NH2 3.44Å
704	L	76.9	Confident	76.9	Confident	2 Å²	2	63.9 Å²	63.9	1%	0.01	31%	0.311	C	S	.	.	H	α-helix	trans	-57.3	-38.7	177.2	179.9	61.1	0	0	0	111.9	V567 L577 K578 M581 L700 M702 R707 L708	V567-L704 HydrophobicContact CG1-CD2 3.93Å; V567-L704 HydrophobicContact CG2-CD2 3.82Å; V567-L704 HydrophobicContact CG2-CG 4.3Å; L577-L704 HydrophobicContact CB-CD1 4.21Å; L577-L704 HydrophobicContact CD2-CD1 3.79Å; L577-L704 HydrophobicContact CG-CD1 4Å; K578-L704 HydrophobicContact CB-CD2 4.42Å; K578-L704 HydrophobicContact CD-CD2 4.49Å; M581-L704 HydrophobicContact CE-CB 3.68Å; M581-L704 HydrophobicContact CE-CD1 3.87Å; M581-L704 HydrophobicContact CE-CG 4.36Å; L700-L704 VanDerWaalsContact O-CB 3.24Å; L700-L704 WeakPolarHBondContact O-CB 3.34Å; L700-L704 PolarHBondContact O-N 3.34Å; M702-L704 VanDerWaalsContact C-N 3.34Å; M702-L704 PolarHBondContact O-N 2.9Å; L704-R707 PolarHBondContact O-N 3.36Å; L704-L708 HydrophobicContact CD1-CD1 4.23Å; L704-L708 HydrophobicContact CD1-CG 4.47Å; L704-L708 HydrophobicContact CG-CD1 4.08Å; L704-L708 VanDerWaalsContact O-CG 3.26Å; L704-L708 WeakPolarHBondContact O-CG 3.47Å; L704-L708 PolarHBondContact O-N 3.06Å; L704-L708 VanDerWaalsContact O-N 3.07Å
705	R	70.1	Confident	75.9	Confident	31 Å²	31	65.7 Å²	65.7	12%	0.117	32%	0.32	C	S	.	.	H	α-helix	trans	-73.9	-36.7	179.2	-62.5	158.1	-175.7	149.9	-14.1	111.9	F553 Q554 T555 N701 M702 E703 R707 L708 L709	F553-R705 PolarHBondContact O-NH1 2.94Å; F553-R705 PolarHBondContact O-NH2 3.33Å; Q554-R705 WeakPolarHBondContact O-CD 3.41Å; T555-R705 HydrophobicContact CG2-CG 3.76Å; T555-R705 VanDerWaalsContact N-NE 3.2Å; T555-R705 VanDerWaalsContact OG1-CZ 3.3Å; T555-R705 PolarHBondContact OG1-NE 3.35Å; T555-R705 PolarHBondContact OG1-NH2 2.98Å; N701-R705 VanDerWaalsContact C-NH1 3.26Å; N701-R705 WeakPolarHBondContact O-CD 3.47Å; N701-R705 WeakPolarHBondContact O-CG 3.36Å; N701-R705 PolarHBondContact O-N 3.29Å; N701-R705 PolarHBondContact O-NE 3.16Å; N701-R705 PolarHBondContact O-NH1 3.3Å; M702-R705 PolarHBondContact O-N 3.18Å; M702-R705 VanDerWaalsContact O-N 3.13Å; E703-R705 PolarHBondContact O-N 3.38Å; R705-R707 PolarHBondContact O-N 2.86Å; R705-L708 CarbonylContact O-C 3.52Å; R705-L708 PolarHBondContact O-N 3.15Å; R705-L708 VanDerWaalsContact O-N 3.09Å; R705-L709 PolarHBondContact O-N 2.99Å; R705-L709 VanDerWaalsContact O-N 3.1Å
706	L	80.9	Confident	74.8	Confident	103 Å²	103	65.6 Å²	65.6	54%	0.539	32%	0.322	S	S	.	.	H	α-helix	trans	-59.5	-36.9	172	-67.9	175	0	0	0	111.5	M702 E703 L709	M702-L706 PolarHBondContact O-N 3.25Å; E703-L706 WeakPolarHBondContact O-CB 3.39Å; E703-L706 PolarHBondContact O-N 3.09Å; E703-L706 VanDerWaalsContact O-N 3.15Å; L706-L709 HydrophobicContact CD2-CD1 3.85Å; L706-L709 WeakPolarHBondContact O-CB 3.46Å
707	R	77.3	Confident	73.5	Confident	115 Å²	115	67.9 Å²	67.9	43%	0.434	34%	0.337	S	S	.	.	H	α-helix	trans	-73.1	-29.6	173.1	-58.1	-50.9	-178.9	92.8	11.5	113.9	L577 M581 E703 L704 R705 L709	L577-R707 HydrophobicContact CD2-CB 3.92Å; L577-R707 HydrophobicContact CD2-CG 4.33Å; M581-R707 HydrophobicContact SD-CG 4.03Å; E703-R707 WeakPolarHBondContact O-CG 3.19Å; E703-R707 PolarHBondContact O-N 2.96Å; E703-R707 IonicContact OE1-CZ 3.95Å; E703-R707 VanDerWaalsContact OE1-CZ 3.29Å; E703-R707 IonicContact OE1-NE 2.84Å; E703-R707 PolarHBondContact OE1-NE 2.87Å; E703-R707 IonicContact OE1-NH2 3.29Å; E703-R707 PolarHBondContact OE1-NH2 3.44Å; L704-R707 PolarHBondContact O-N 3.36Å; R705-R707 PolarHBondContact O-N 2.86Å; R707-L709 VanDerWaalsContact C-N 3.3Å
708	L	73.8	Confident	72.4	Confident	9 Å²	9	66.2 Å²	66.2	5%	0.047	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	0.4	178.2	-66.5	173.7	0	0	0	113.7	V567 L704 R705 E710 L711	V567-L708 HydrophobicContact CG2-CD1 3.56Å; L704-L708 HydrophobicContact CD1-CD1 4.23Å; L704-L708 HydrophobicContact CD1-CG 4.47Å; L704-L708 HydrophobicContact CG-CD1 4.08Å; L704-L708 VanDerWaalsContact O-CG 3.26Å; L704-L708 WeakPolarHBondContact O-CG 3.47Å; L704-L708 PolarHBondContact O-N 3.06Å; L704-L708 VanDerWaalsContact O-N 3.07Å; R705-L708 CarbonylContact O-C 3.52Å; R705-L708 PolarHBondContact O-N 3.15Å; R705-L708 VanDerWaalsContact O-N 3.09Å; L708-E710 VanDerWaalsContact C-N 3.34Å; L708-L711 HydrophobicContact CD2-CD1 4.12Å; L708-L711 PolarHBondContact O-N 3.27Å
709	L	71.2	Confident	71.7	Confident	79 Å²	79	69.7 Å²	69.7	41%	0.414	36%	0.363	S	S	.	.	G	3₁₀ helix	trans	-58.8	-43.8	171.7	-84.6	164.1	0	0	0	112	F560 R705 L706 R707 L711	F560-L709 HydrophobicContact CE1-CD2 3.51Å; F560-L709 HydrophobicContact CE1-CG 4.27Å; F560-L709 HydrophobicContact CE2-CD2 4.45Å; F560-L709 HydrophobicContact CZ-CD2 3.31Å; F560-L709 HydrophobicContact CZ-CG 4.48Å; R705-L709 PolarHBondContact O-N 2.99Å; R705-L709 VanDerWaalsContact O-N 3.1Å; L706-L709 HydrophobicContact CD2-CD1 3.85Å; L706-L709 WeakPolarHBondContact O-CB 3.46Å; R707-L709 VanDerWaalsContact C-N 3.3Å; L709-L711 PolarHBondContact O-N 3.18Å
710	E	68	Low	71	Confident	172 Å²	172	68 Å²	68	80%	0.804	37%	0.372	S	S	*	.	G	3₁₀ helix	trans	-72	-12.6	-177.2	-62.6	176.4	178.8	0	0	113.1	L708	L708-E710 VanDerWaalsContact C-N 3.34Å
711	L	70.7	Confident	70.6	Confident	64 Å²	64	74.1 Å²	74.1	34%	0.335	40%	0.404	S	S	.	.	G	3₁₀ helix	trans	-110.2	9.7	-175.3	-60.4	-178.9	0	0	0	113.9	L708 L709 S713 I714	L708-L711 HydrophobicContact CD2-CD1 4.12Å; L708-L711 PolarHBondContact O-N 3.27Å; L709-L711 PolarHBondContact O-N 3.18Å; L711-S713 PolarHBondContact O-N 3.47Å; L711-S713 VanDerWaalsContact O-N 3.1Å; L711-I714 HydrophobicContact CD2-CD1 3.86Å; L711-I714 PolarHBondContact O-N 2.9Å
712	E	60.9	Low	70.7	Confident	76 Å²	76	78.5 Å²	78.5	36%	0.355	43%	0.433	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50	-39.9	-175.8	-83.4	-157.3	95.3	0	0	115	F560	F560-E712 HydrophobicContact CD1-CG 3.62Å; F560-E712 WeakPolarHBondContact CD1-OE1 3.47Å; F560-E712 HydrophobicContact CE1-CG 3.22Å; F560-E712 VanDerWaalsContact CE1-OE1 3.24Å; F560-E712 WeakPolarHBondContact CE1-OE1 3.32Å; F560-E712 HydrophobicContact CZ-CG 3.93Å; F560-E712 VanDerWaalsContact CZ-OE1 3.31Å; F560-E712 WeakPolarHBondContact CZ-OE1 3.44Å; F560-E712 WeakPolarHBondContact CZ-OE2 3.46Å
713	S	64	Low	71	Confident	108 Å²	108	82.8 Å²	82.8	76%	0.755	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.6	-6.5	-177.3	35.6	0	0	0	0	113.7	L711	L711-S713 PolarHBondContact O-N 3.47Å; L711-S713 VanDerWaalsContact O-N 3.1Å
714	I	68.3	Low	71	Confident	95 Å²	95	86.9 Å²	86.9	49%	0.487	49%	0.491	S	S	.	.	S	Bend	trans	-104	131.8	-175.6	-61.3	172.5	0	0	0	109.7	L711 V716	L711-I714 HydrophobicContact CD2-CD1 3.86Å; L711-I714 PolarHBondContact O-N 2.9Å; I714-V716 PolarHBondContact O-N 3.1Å
715	E	66.1	Low	71.4	Confident	146 Å²	146	94 Å²	94	68%	0.682	53%	0.529	S	S	*	.			trans	-78.1	109.3	171.8	-63.5	-160.3	160.6	0	0	109.9	K562 P717	K562-E715 IonicContact NZ-OE1 2.67Å; K562-E715 PolarHBondContact NZ-OE1 3.35Å; E715-P717 WeakPolarHBondContact O-CD 3.47Å
716	V	63.3	Low	72	Confident	33 Å²	33	97 Å²	97	20%	0.2	55%	0.552	C	S	.	*			trans	-63.2	120.9	175.3	-177	0	0	0	0	108.6	C566 L571 I714	C566-V716 HydrophobicContact CB-CB 4.3Å; C566-V716 HydrophobicContact CB-CG2 4.29Å; L571-V716 HydrophobicContact CD1-CB 3.89Å; L571-V716 HydrophobicContact CD1-CG1 3.96Å; L571-V716 WeakPolarHBondContact CD1-O 3.48Å; I714-V716 PolarHBondContact O-N 3.1Å
717	P	61.4	Low	72.1	Confident	55 Å²	55	95.8 Å²	95.8	36%	0.357	55%	0.55	S	S	.	*			trans	-70.2	150.4	-179.9	29.5	-34.8	0	0	0	111	E715 T719 L721	E715-P717 WeakPolarHBondContact O-CD 3.47Å; P717-T719 VanDerWaalsContact C-N 3.29Å; P717-T719 WeakPolarHBondContact CB-O 3.47Å; P717-T719 PolarHBondContact O-N 3.01Å; P717-L721 HydrophobicContact CB-CG 4.48Å; P717-L721 HydrophobicContact CG-CD1 4.39Å; P717-L721 HydrophobicContact CG-CG 4.07Å
718	A	60.9	Low	72.2	Confident	68 Å²	68	100 Å²	100	56%	0.562	58%	0.575	S	S	*	*	S	Bend	trans	-72.5	-24.5	-177	0	0	0	0	0	113.9	L571	L571-A718 HydrophobicContact CD2-CB 3.94Å
719	T	65.6	Low	72.3	Confident	107 Å²	107	103.7 Å²	103.7	66%	0.656	60%	0.595	S	S	*	*	S	Bend	trans	-121.1	143.4	171.2	47.3	0	0	0	0	108	P717 L721	P717-T719 VanDerWaalsContact C-N 3.29Å; P717-T719 WeakPolarHBondContact CB-O 3.47Å; P717-T719 PolarHBondContact O-N 3.01Å; T719-L721 PolarHBondContact O-N 2.92Å
720	A	70.7	Confident	72.7	Confident	71 Å²	71	107 Å²	107	59%	0.587	61%	0.606	S	S	*	*	P	Polyproline II helix	trans	-53.3	132.3	171.5	0	0	0	0	0	110.1	C572	C572-A720 PolarHBondContact SG-N 2.86Å
721	L	75.7	Confident	73.1	Confident	132 Å²	132	106.1 Å²	106.1	69%	0.691	60%	0.602	S	S	*	*	P	Polyproline II helix	trans	-66.1	139.9	170.9	-66.6	171.2	0	0	0	108.1	P717 T719 V723	P717-L721 HydrophobicContact CB-CG 4.48Å; P717-L721 HydrophobicContact CG-CD1 4.39Å; P717-L721 HydrophobicContact CG-CG 4.07Å; T719-L721 PolarHBondContact O-N 2.92Å; L721-V723 PolarHBondContact O-N 3.46Å
722	P	79.2	Confident	73.6	Confident	114 Å²	114	110.9 Å²	110.9	74%	0.74	62%	0.62	S	S	*	*	P	Polyproline II helix	trans	-59.3	133.2	174.5	26	-33.4	0	0	0	109	P724	P722-P724 WeakPolarHBondContact O-CD 3.37Å
723	V	83.1	Confident	73.7	Confident	134 Å²	134	110.9 Å²	110.9	81%	0.812	64%	0.641	S	S	*	*	P	Polyproline II helix	trans	-64.4	123.8	170	-177.5	0	0	0	0	106.5	L721	L721-V723 PolarHBondContact O-N 3.46Å
724	P	83.6	Confident	73.1	Confident	111 Å²	111	117.5 Å²	117.5	72%	0.721	67%	0.668	S	S	*	*	P	Polyproline II helix	trans	-57.8	147.3	174.9	-22.8	33.7	0	0	0	110.5	P722	P722-P724 WeakPolarHBondContact O-CD 3.37Å
725	D	84.1	Confident	73.3	Confident	152 Å²	152	118.6 Å²	118.6	81%	0.813	68%	0.677	S	S	*	*	P	Polyproline II helix	trans	-55.6	142	169.7	-68.7	-52.6	0	0	0	109.6
726	P	84	Confident	73.7	Confident	93 Å²	93	117.2 Å²	117.2	60%	0.604	68%	0.676	S	S	*	*	P	Polyproline II helix	trans	-58.9	141.2	177.9	25.2	-33.6	0	0	0	110	E728	P726-E728 PolarHBondContact O-N 2.92Å
727	P	83.2	Confident	74.3	Confident	77 Å²	77	121.8 Å²	121.8	50%	0.5	70%	0.703	S	S	.	*	P	Polyproline II helix	trans	-58.1	137.7	-177.2	24.2	-34	0	0	0	111.2	N729	P727-N729 PolarHBondContact O-N 3.45Å
728	E	78.2	Confident	75.1	Confident	204 Å²	204	125.8 Å²	125.8	95%	0.953	72%	0.723	S	S	*	*	S	Bend	trans	-59	-31.6	-174.7	-64.2	-172.8	157.4	0	0	112.7	P726	P726-E728 PolarHBondContact O-N 2.92Å
729	N	75.5	Confident	75.9	Confident	87 Å²	87	129.4 Å²	129.4	47%	0.465	73%	0.733	S	S	.	*	S	Bend	trans	-106.4	125.5	167	56.4	-23.8	0	0	0	110.7	P727 E731	P727-N729 PolarHBondContact O-N 3.45Å; N729-E731 HydrophobicContact CB-CB 4.3Å; N729-E731 HydrophobicContact CB-CG 4.25Å; N729-E731 PolarHBondContact ND2-OE2 2.93Å; N729-E731 PolarHBondContact O-N 2.69Å
730	F	80.9	Confident	76.6	Confident	149 Å²	149	130.9 Å²	130.9	65%	0.654	74%	0.738	S	S	*	*			trans	-74.7	30.5	165.9	-62.4	-82.9	0	0	0	112.3	F732	F730-F732 VanDerWaalsContact C-N 3.26Å; F730-F732 HydrophobicContact CB-CE2 4.09Å; F730-F732 HydrophobicContact CB-CZ 4.27Å; F730-F732 HydrophobicContact CD1-CZ 4.02Å; F730-F732 WeakPolarHBondContact O-CD2 3.32Å; F730-F732 WeakPolarHBondContact O-CE2 3.26Å; F730-F732 PolarHBondContact O-N 3.32Å; F730-F732 VanDerWaalsContact O-N 3.09Å
731	E	75.9	Confident	77.1	Confident	153 Å²	153	135.1 Å²	135.1	72%	0.715	75%	0.749	S	S	*	*			trans	-80.3	81.7	167.7	-70.1	177.9	145.3	0	0	107.5	N729 G733	N729-E731 HydrophobicContact CB-CB 4.3Å; N729-E731 HydrophobicContact CB-CG 4.25Å; N729-E731 PolarHBondContact ND2-OE2 2.93Å; N729-E731 PolarHBondContact O-N 2.69Å; E731-G733 PolarHBondContact O-N 3.06Å
732	F	80.2	Confident	77.2	Confident	164 Å²	164	135.4 Å²	135.4	72%	0.719	75%	0.753	S	S	*	*			trans	-59.3	120.7	165.3	-49.5	-78	0	0	0	107.3	F730 D734	F730-F732 VanDerWaalsContact C-N 3.26Å; F730-F732 HydrophobicContact CB-CE2 4.09Å; F730-F732 HydrophobicContact CB-CZ 4.27Å; F730-F732 HydrophobicContact CD1-CZ 4.02Å; F730-F732 WeakPolarHBondContact O-CD2 3.32Å; F730-F732 WeakPolarHBondContact O-CE2 3.26Å; F730-F732 PolarHBondContact O-N 3.32Å; F730-F732 VanDerWaalsContact O-N 3.09Å; F732-D734 PolarHBondContact O-N 3.27Å
733	G	64.7	Low	77	Confident	76 Å²	76	137.2 Å²	137.2	78%	0.784	76%	0.755	S	S	*	*			trans	-59.5	135.8	174.9	0	0	0	0	0	110.5	E731	E731-G733 PolarHBondContact O-N 3.06Å
734	D	50.3	Low	76.4	Confident	246 Å²	246	137.5 Å²	137.5	100%	1.316	75%	0.749	S	S	*	*			trans	-54.9	0	-179.8	-70.8	-43.7	0	0	0	113.7	F732	F732-D734 PolarHBondContact O-N 3.27Å

Retrieved 734 of 734 residues in 325.4 ms (Link to these results)

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