A0A087YDX5_POEFO Loading...

Phosphodiesterase

AlphaFold DB , UniProt , Accession A0A087YDX5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 787 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	30.4	Very low	35.4	Very low	235 Å²	235	128.6 Å²	128.6	100%	1.158	76%	0.76	S	S	*	*				0	117.4	0	-77.2	174.5	170.6	0	0	106.3
2	E	30.7	Very low	35.8	Very low	179 Å²	179	132.4 Å²	132.4	84%	0.836	75%	0.751	S	S	*	*			cis	-161.1	115.8	-0.7	-84	171.4	152.6	0	0	101.7
3	D	29.1	Very low	36.6	Very low	179 Å²	179	137.7 Å²	137.7	96%	0.957	75%	0.752	S	S	*	*				39.4	110.4	91.2	-82.7	-25	0	0	0	117.3
4	G	29.3	Very low	37.3	Very low	75 Å²	75	132.2 Å²	132.2	77%	0.773	72%	0.721	S	S	*	*			trans	138.7	145.6	146.4	0	0	0	0	0	116.1
5	P	38.6	Very low	37.8	Very low	126 Å²	126	128.1 Å²	128.1	82%	0.818	70%	0.702	S	S	*	*			cis	-126	139.1	-3.5	34	-14.7	0	0	0	115.7
6	S	32.2	Very low	38.3	Very low	93 Å²	93	128.7 Å²	128.7	65%	0.65	70%	0.704	S	S	*	*			trans	-9.9	118.2	151.2	55	0	0	0	0	120.3	T8	S6-T8 WeakPolarHBondContact CB-OG1 3.21Å; S6-T8 PolarHBondContact O-N 3.33Å
7	S	34.9	Very low	38.8	Very low	123 Å²	123	127.4 Å²	127.4	86%	0.86	71%	0.705	S	S	*	*			trans	-82.2	22.9	153.5	62.6	0	0	0	0	113	S9	S7-S9 PolarHBondContact O-N 3.41Å
8	T	37.1	Very low	39.5	Very low	72 Å²	72	123.9 Å²	123.9	44%	0.442	68%	0.681	S	S	.	*	T	Hydrogen-bonded Turn	trans	-80.4	33.3	-175.7	-25.7	0	0	0	0	113.1	S6 R12	S6-T8 WeakPolarHBondContact CB-OG1 3.21Å; S6-T8 PolarHBondContact O-N 3.33Å; T8-R12 HydrophobicContact CG2-CG 4.33Å
9	S	42.2	Very low	39.9	Very low	89 Å²	89	125.5 Å²	125.5	62%	0.622	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.2	-35.7	-172.9	-178.8	0	0	0	0	114.5	S7	S7-S9 PolarHBondContact O-N 3.41Å
10	C	42.3	Very low	40.5	Very low	72 Å²	72	123.3 Å²	123.3	49%	0.486	70%	0.695	S	S	.	*	S	Bend	trans	-83.3	-38	179.2	-94.1	0	0	0	0	113.4	R12	C10-R12 PolarHBondContact O-N 3.03Å
11	F	42.2	Very low	41.1	Very low	172 Å²	172	120.4 Å²	120.4	75%	0.754	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.7	-25.6	-177.6	-106.1	-85.7	0	0	0	114.3	R13 L14	F11-R13 VanDerWaalsContact C-N 3.33Å; F11-R13 PolarHBondContact O-N 3.35Å; F11-L14 PolarHBondContact O-N 3.1Å
12	R	41	Very low	42.4	Very low	174 Å²	174	113.8 Å²	113.8	66%	0.657	66%	0.663	S	S	*	*	H	α-helix	trans	-74.9	-15.9	-179.6	-90.1	-175.9	176	176.3	-0	114.4	T8 C10 T15	T8-R12 HydrophobicContact CG2-CG 4.33Å; C10-R12 PolarHBondContact O-N 3.03Å; R12-T15 PolarHBondContact O-OG1 3.41Å
13	R	45.5	Very low	44.1	Very low	201 Å²	201	110.8 Å²	110.8	76%	0.758	65%	0.653	S	S	*	*	H	α-helix	trans	-83.5	-16.7	174.2	-76.7	-174.1	-178.1	178.9	2.3	113.9	F11	F11-R13 VanDerWaalsContact C-N 3.33Å; F11-R13 PolarHBondContact O-N 3.35Å
14	L	46.6	Very low	46.3	Very low	61 Å²	61	104.7 Å²	104.7	32%	0.319	62%	0.622	S	S	.	*	H	α-helix	trans	-82.6	-22.9	175.8	-96.7	151	0	0	0	112.6	F11 F18 Y31	F11-L14 PolarHBondContact O-N 3.1Å; L14-F18 HydrophobicContact CD2-CE2 4.45Å; L14-F18 WeakPolarHBondContact O-CD2 3.3Å; L14-Y31 HydrophobicContact CD2-CD1 4.39Å; L14-Y31 HydrophobicContact CD2-CE1 3.81Å; L14-Y31 HydrophobicContact CG-CE1 4.38Å
15	T	45.5	Very low	48.4	Very low	71 Å²	71	108 Å²	108	44%	0.436	62%	0.622	S	S	.	*	H	α-helix	trans	-80.9	-27.1	-175.8	35.7	0	0	0	0	114.5	R12 C17 F18	R12-T15 PolarHBondContact O-OG1 3.41Å; T15-C17 PolarHBondContact O-N 3.47Å; T15-F18 PolarHBondContact O-N 3.12Å
16	D	44.9	Very low	49.9	Very low	137 Å²	137	108.9 Å²	108.9	73%	0.733	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.5	-11.6	-174.8	-71.8	-12.8	0	0	0	114.2
17	C	46.7	Very low	51.8	Low	106 Å²	106	108.7 Å²	108.7	72%	0.716	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.3	-5.8	171.7	-73.5	0	0	0	0	114.4	T15	T15-C17 PolarHBondContact O-N 3.47Å
18	F	51.6	Low	53.7	Low	66 Å²	66	105.4 Å²	105.4	29%	0.289	58%	0.577	S	S	.	*	T	Hydrogen-bonded Turn	trans	-129.1	12.1	-166.7	-74.4	-81.2	0	0	0	115.4	L14 T15 G20 L23 Y31	L14-F18 HydrophobicContact CD2-CE2 4.45Å; L14-F18 WeakPolarHBondContact O-CD2 3.3Å; T15-F18 PolarHBondContact O-N 3.12Å; F18-G20 PolarHBondContact O-N 2.76Å; F18-L23 HydrophobicContact CD1-CD1 3.68Å; F18-L23 HydrophobicContact CE1-CD1 3.96Å; F18-L23 HydrophobicContact CG-CD1 4.2Å; F18-Y31 HydrophobicContact CE2-CD2 4.27Å; F18-Y31 HydrophobicContact CE2-CE2 4.44Å; F18-Y31 HydrophobicContact CZ-CD2 4.47Å
19	L	48.4	Very low	55.6	Low	154 Å²	154	109.3 Å²	109.3	81%	0.806	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.6	81.6	170.1	-75.7	161.6	0	0	0	110.5
20	G	50.6	Low	57.2	Low	80 Å²	80	107.5 Å²	107.5	83%	0.825	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	166.2	-14.4	165.4	0	0	0	0	0	118.6	F18	F18-G20 PolarHBondContact O-N 2.76Å
21	A	52.5	Low	58.8	Low	63 Å²	63	106.6 Å²	106.6	52%	0.521	57%	0.565	S	S	.	*	S	Bend	trans	-148.6	143.1	-179.3	0	0	0	0	0	112	L23	A21-L23 PolarHBondContact O-N 2.98Å
22	S	58.2	Low	60.5	Low	96 Å²	96	101.1 Å²	101.1	67%	0.671	54%	0.544	S	S	*	.			trans	-48.6	134	-178.9	48.8	0	0	0	0	112.8	T24	S22-T24 PolarHBondContact O-N 2.84Å
23	L	66	Low	62.1	Low	116 Å²	116	97.2 Å²	97.2	61%	0.607	54%	0.543	S	S	*	.			trans	-70.2	119.3	175.4	-147.2	84.7	0	0	0	108	F18 A21 V28	F18-L23 HydrophobicContact CD1-CD1 3.68Å; F18-L23 HydrophobicContact CE1-CD1 3.96Å; F18-L23 HydrophobicContact CG-CD1 4.2Å; A21-L23 PolarHBondContact O-N 2.98Å; L23-V28 HydrophobicContact CD2-CG2 3.59Å; L23-V28 HydrophobicContact CG-CG2 3.78Å
24	T	77.1	Confident	63.5	Low	51 Å²	51	94 Å²	94	31%	0.313	54%	0.54	S	S	.	.			trans	-112.5	151.9	174.7	61.8	0	0	0	0	110.2	S22 E26 K27 V28	S22-T24 PolarHBondContact O-N 2.84Å; T24-E26 PolarHBondContact O-N 3.19Å; T24-K27 WeakPolarHBondContact O-CB 3.02Å; T24-K27 PolarHBondContact O-N 3.06Å; T24-V28 PolarHBondContact O-N 3.44Å; T24-V28 VanDerWaalsContact O-N 3.16Å
25	D	71.5	Confident	64.8	Low	145 Å²	145	95.4 Å²	95.4	78%	0.775	55%	0.545	S	S	*	.	H	α-helix	trans	-55.1	-35.8	-178.6	-69.3	-4.8	0	0	0	112.2	K27 K29	D25-K27 PolarHBondContact O-N 3.2Å; D25-K29 VanDerWaalsContact O-CB 3.29Å; D25-K29 WeakPolarHBondContact O-CB 3.22Å; D25-K29 PolarHBondContact O-N 3.28Å
26	E	71.1	Confident	66.3	Low	144 Å²	144	95.5 Å²	95.5	67%	0.673	55%	0.546	S	S	*	.	H	α-helix	trans	-66.5	-36.6	176.2	-62.5	95.6	-176.2	0	0	113.1	T24 K29 A30	T24-E26 PolarHBondContact O-N 3.19Å; E26-K29 PolarHBondContact O-N 3.09Å; E26-A30 WeakPolarHBondContact O-CB 3.32Å; E26-A30 PolarHBondContact O-N 3Å
27	K	72.7	Confident	67.7	Low	89 Å²	89	96.4 Å²	96.4	39%	0.387	55%	0.547	S	S	.	.	H	α-helix	trans	-70	-40.5	178.9	-74.1	178.9	-179.2	174.1	0	111.5	T24 D25 A30 Y31	T24-K27 WeakPolarHBondContact O-CB 3.02Å; T24-K27 PolarHBondContact O-N 3.06Å; D25-K27 PolarHBondContact O-N 3.2Å; K27-A30 PolarHBondContact O-N 3.18Å; K27-Y31 WeakPolarHBondContact O-CB 3.49Å; K27-Y31 PolarHBondContact O-N 3.02Å
28	V	75.1	Confident	69.1	Low	54 Å²	54	94.1 Å²	94.1	33%	0.327	53%	0.526	S	S	.	.	H	α-helix	trans	-64.2	-43.9	175.2	178.5	0	0	0	0	110.1	L23 T24 A30 Y31 L32	L23-V28 HydrophobicContact CD2-CG2 3.59Å; L23-V28 HydrophobicContact CG-CG2 3.78Å; T24-V28 PolarHBondContact O-N 3.44Å; T24-V28 VanDerWaalsContact O-N 3.16Å; V28-A30 PolarHBondContact O-N 2.88Å; V28-Y31 PolarHBondContact O-N 2.9Å; V28-L32 HydrophobicContact CG1-CD1 3.89Å; V28-L32 HydrophobicContact CG1-CG 4.36Å; V28-L32 WeakPolarHBondContact O-CB 3.43Å; V28-L32 WeakPolarHBondContact O-CG 3.28Å; V28-L32 PolarHBondContact O-N 2.64Å
29	K	75.4	Confident	70.4	Confident	154 Å²	154	94.4 Å²	94.4	67%	0.67	53%	0.53	S	S	*	.	H	α-helix	trans	-63.2	-41.9	177.5	-167.5	175.6	-176	179.7	0	112.5	D25 E26 S33	D25-K29 VanDerWaalsContact O-CB 3.29Å; D25-K29 WeakPolarHBondContact O-CB 3.22Å; D25-K29 PolarHBondContact O-N 3.28Å; E26-K29 PolarHBondContact O-N 3.09Å; K29-S33 WeakPolarHBondContact O-CB 3.14Å; K29-S33 PolarHBondContact O-N 3.07Å; K29-S33 PolarHBondContact O-OG 3.29Å
30	A	75.6	Confident	71.7	Confident	51 Å²	51	91.8 Å²	91.8	42%	0.421	52%	0.517	S	S	.	.	H	α-helix	trans	-64.1	-43.5	175.5	0	0	0	0	0	111.7	E26 K27 V28 S33 L34	E26-A30 WeakPolarHBondContact O-CB 3.32Å; E26-A30 PolarHBondContact O-N 3Å; K27-A30 PolarHBondContact O-N 3.18Å; V28-A30 PolarHBondContact O-N 2.88Å; A30-S33 PolarHBondContact O-N 3.41Å; A30-L34 WeakPolarHBondContact O-CD1 3.45Å; A30-L34 PolarHBondContact O-N 3.03Å; A30-L34 VanDerWaalsContact O-N 3.09Å
31	Y	77.6	Confident	73	Confident	53 Å²	53	93 Å²	93	21%	0.208	50%	0.501	C	S	.	.	H	α-helix	trans	-63.4	-46.7	177.7	-174.6	-94	0	0	0	112.6	L14 F18 K27 V28 S33 L34 H35	L14-Y31 HydrophobicContact CD2-CD1 4.39Å; L14-Y31 HydrophobicContact CD2-CE1 3.81Å; L14-Y31 HydrophobicContact CG-CE1 4.38Å; F18-Y31 HydrophobicContact CE2-CD2 4.27Å; F18-Y31 HydrophobicContact CE2-CE2 4.44Å; F18-Y31 HydrophobicContact CZ-CD2 4.47Å; K27-Y31 WeakPolarHBondContact O-CB 3.49Å; K27-Y31 PolarHBondContact O-N 3.02Å; V28-Y31 PolarHBondContact O-N 2.9Å; Y31-S33 VanDerWaalsContact C-N 3.27Å; Y31-S33 PolarHBondContact O-N 3.35Å; Y31-L34 PolarHBondContact O-N 2.83Å; Y31-L34 VanDerWaalsContact O-N 3.14Å; Y31-H35 AromaticContact CD2-CD2 3.87Å; Y31-H35 AromaticContact CE1-CD2 3.98Å; Y31-H35 AromaticContact CE2-CD2 3.57Å; Y31-H35 AromaticContact CE2-NE2 3.82Å; Y31-H35 AromaticContact CZ-CD2 3.63Å; Y31-H35 PolarHBondContact O-CD2 2.61Å; Y31-H35 PolarHBondContact O-N 3.04Å
32	L	76.9	Confident	74.3	Confident	58 Å²	58	95.6 Å²	95.6	30%	0.304	50%	0.501	S	S	.	.	H	α-helix	trans	-65.2	-30.6	176.3	-69	172.9	0	0	0	112.5	V28 L34 H35 L39	V28-L32 HydrophobicContact CG1-CD1 3.89Å; V28-L32 HydrophobicContact CG1-CG 4.36Å; V28-L32 WeakPolarHBondContact O-CB 3.43Å; V28-L32 WeakPolarHBondContact O-CG 3.28Å; V28-L32 PolarHBondContact O-N 2.64Å; L32-L34 VanDerWaalsContact C-N 3.34Å; L32-H35 CarbonylContact O-C 3.39Å; L32-H35 PolarHBondContact O-N 2.82Å; L32-L39 HydrophobicContact CD2-CB 4.47Å
33	S	75.6	Confident	75.4	Confident	92 Å²	92	92.9 Å²	92.9	64%	0.643	48%	0.48	S	S	*	.	H	α-helix	trans	-70.4	-31	174.3	-57.1	0	0	0	0	112.5	K29 A30 Y31	K29-S33 WeakPolarHBondContact O-CB 3.14Å; K29-S33 PolarHBondContact O-N 3.07Å; K29-S33 PolarHBondContact O-OG 3.29Å; A30-S33 PolarHBondContact O-N 3.41Å; Y31-S33 VanDerWaalsContact C-N 3.27Å; Y31-S33 PolarHBondContact O-N 3.35Å
34	L	73.7	Confident	75.9	Confident	134 Å²	134	94.4 Å²	94.4	70%	0.702	49%	0.488	S	S	*	.	H	α-helix	trans	-82.2	-20.4	176.5	-78.8	155.5	0	0	0	112.9	A30 Y31 L32	A30-L34 WeakPolarHBondContact O-CD1 3.45Å; A30-L34 PolarHBondContact O-N 3.03Å; A30-L34 VanDerWaalsContact O-N 3.09Å; Y31-L34 PolarHBondContact O-N 2.83Å; Y31-L34 VanDerWaalsContact O-N 3.14Å; L32-L34 VanDerWaalsContact C-N 3.34Å
35	H	74.8	Confident	76	Confident	90 Å²	90	99.9 Å²	99.9	42%	0.417	51%	0.51	S	S	.	.			trans	-129.6	66.1	-179.1	-60.1	-64	0	0	0	112.1	Y31 L32 Q37 M38	Y31-H35 AromaticContact CD2-CD2 3.87Å; Y31-H35 AromaticContact CE1-CD2 3.98Å; Y31-H35 AromaticContact CE2-CD2 3.57Å; Y31-H35 AromaticContact CE2-NE2 3.82Å; Y31-H35 AromaticContact CZ-CD2 3.63Å; Y31-H35 PolarHBondContact O-CD2 2.61Å; Y31-H35 PolarHBondContact O-N 3.04Å; L32-H35 CarbonylContact O-C 3.39Å; L32-H35 PolarHBondContact O-N 2.82Å; H35-Q37 PolarHBondContact O-N 2.91Å; H35-M38 PolarHBondContact O-N 3.24Å
36	P	76.8	Confident	76	Confident	72 Å²	72	96.7 Å²	96.7	47%	0.468	50%	0.499	S	S	.	.	H	α-helix	trans	-62.1	-28.8	-173.8	21.6	-31.6	0	0	0	113.9	M38 L39 D40	P36-M38 VanDerWaalsContact C-N 3.3Å; P36-M38 PolarHBondContact O-N 2.84Å; P36-L39 WeakPolarHBondContact O-CB 3.34Å; P36-L39 PolarHBondContact O-N 3.16Å; P36-L39 VanDerWaalsContact O-N 3.08Å; P36-D40 PolarHBondContact O-N 3.16Å
37	Q	74.9	Confident	76.4	Confident	157 Å²	157	91.1 Å²	91.1	73%	0.734	48%	0.475	S	S	*	.	H	α-helix	trans	-62.4	-34.6	178.7	-64.3	178.3	-5.9	0	0	113	H35 L39 D40 E41	H35-Q37 PolarHBondContact O-N 2.91Å; Q37-L39 VanDerWaalsContact C-N 3.31Å; Q37-L39 PolarHBondContact O-N 3.03Å; Q37-D40 PolarHBondContact O-N 3.37Å; Q37-E41 PolarHBondContact O-N 3.38Å
38	M	76.1	Confident	76.5	Confident	58 Å²	58	89.9 Å²	89.9	29%	0.286	48%	0.477	S	S	.	.	H	α-helix	trans	-66.5	-34.9	175	-84.4	-90.7	-144.6	0	0	111.9	H35 P36 F42	H35-M38 PolarHBondContact O-N 3.24Å; P36-M38 VanDerWaalsContact C-N 3.3Å; P36-M38 PolarHBondContact O-N 2.84Å; M38-F42 VanDerWaalsContact O-CB 3.27Å; M38-F42 WeakPolarHBondContact O-CB 3.38Å; M38-F42 PolarHBondContact O-N 3.32Å
39	L	78.1	Confident	76.1	Confident	71 Å²	71	91.3 Å²	91.3	37%	0.372	50%	0.495	S	S	.	.	H	α-helix	trans	-71.8	-41.5	176.7	-176.5	64.1	0	0	0	110.6	L32 P36 Q37 F42 V43	L32-L39 HydrophobicContact CD2-CB 4.47Å; P36-L39 WeakPolarHBondContact O-CB 3.34Å; P36-L39 PolarHBondContact O-N 3.16Å; P36-L39 VanDerWaalsContact O-N 3.08Å; Q37-L39 VanDerWaalsContact C-N 3.31Å; Q37-L39 PolarHBondContact O-N 3.03Å; L39-F42 PolarHBondContact O-N 2.71Å; L39-V43 HydrophobicContact CD1-CG2 4.26Å; L39-V43 HydrophobicContact CG-CG2 4.42Å; L39-V43 WeakPolarHBondContact O-CB 3.42Å; L39-V43 VanDerWaalsContact O-CG2 3.22Å; L39-V43 WeakPolarHBondContact O-CG2 3.18Å; L39-V43 PolarHBondContact O-N 2.95Å
40	D	76.6	Confident	75.5	Confident	99 Å²	99	91 Å²	91	53%	0.529	50%	0.496	S	S	.	.	H	α-helix	trans	-63.2	-46.7	177.2	-72.4	-18.7	0	0	0	111.5	P36 Q37 F42 V43 L44	P36-D40 PolarHBondContact O-N 3.16Å; Q37-D40 PolarHBondContact O-N 3.37Å; D40-F42 PolarHBondContact O-N 2.99Å; D40-V43 PolarHBondContact O-N 3.32Å; D40-L44 WeakPolarHBondContact O-CB 3.24Å; D40-L44 WeakPolarHBondContact O-CD1 3.5Å; D40-L44 VanDerWaalsContact O-CG 3.24Å; D40-L44 WeakPolarHBondContact O-CG 3.38Å; D40-L44 PolarHBondContact O-N 2.99Å
41	E	77.9	Confident	75.1	Confident	107 Å²	107	90.3 Å²	90.3	50%	0.5	49%	0.487	S	S	.	.	H	α-helix	trans	-60.4	-45.7	174.4	-82.6	-178	167.9	0	0	111.7	Q37 V43 L44 E45	Q37-E41 PolarHBondContact O-N 3.38Å; E41-V43 PolarHBondContact O-N 3.4Å; E41-L44 PolarHBondContact O-N 3.11Å; E41-E45 WeakPolarHBondContact O-CB 3.32Å; E41-E45 WeakPolarHBondContact O-CG 3.27Å; E41-E45 PolarHBondContact O-N 3.07Å
42	F	79.1	Confident	74.9	Confident	117 Å²	117	91 Å²	91	51%	0.513	49%	0.493	S	S	.	.	H	α-helix	trans	-62	-42.7	178.2	179	-98	0	0	0	112.4	M38 L39 D40 S46 V47	M38-F42 VanDerWaalsContact O-CB 3.27Å; M38-F42 WeakPolarHBondContact O-CB 3.38Å; M38-F42 PolarHBondContact O-N 3.32Å; L39-F42 PolarHBondContact O-N 2.71Å; D40-F42 PolarHBondContact O-N 2.99Å; F42-S46 WeakPolarHBondContact O-CA 3.41Å; F42-S46 WeakPolarHBondContact O-CB 3.49Å; F42-S46 PolarHBondContact O-N 2.97Å; F42-V47 HydrophobicContact CE1-CG2 4.23Å
43	V	81	Confident	74.2	Confident	39 Å²	39	90.5 Å²	90.5	24%	0.236	49%	0.491	C	S	.	.	H	α-helix	trans	-66.8	-39.8	178.4	171.3	0	0	0	0	111	L39 D40 E41 V47 L52	L39-V43 HydrophobicContact CD1-CG2 4.26Å; L39-V43 HydrophobicContact CG-CG2 4.42Å; L39-V43 WeakPolarHBondContact O-CB 3.42Å; L39-V43 VanDerWaalsContact O-CG2 3.22Å; L39-V43 WeakPolarHBondContact O-CG2 3.18Å; L39-V43 PolarHBondContact O-N 2.95Å; D40-V43 PolarHBondContact O-N 3.32Å; E41-V43 PolarHBondContact O-N 3.4Å; V43-V47 HydrophobicContact CG1-CB 4.46Å; V43-V47 HydrophobicContact CG2-CG2 4.45Å; V43-V47 WeakPolarHBondContact O-CB 3.36Å; V43-V47 PolarHBondContact O-N 3.38Å; V43-L52 HydrophobicContact CG1-CD1 3.45Å; V43-L52 VanDerWaalsContact CG1-CD1 3.45Å
44	L	77.3	Confident	73.8	Confident	147 Å²	147	93.1 Å²	93.1	77%	0.77	49%	0.487	S	S	*	.	H	α-helix	trans	-70.6	-38.9	179.5	-73.8	167.3	0	0	0	113.1	D40 E41	D40-L44 WeakPolarHBondContact O-CB 3.24Å; D40-L44 WeakPolarHBondContact O-CD1 3.5Å; D40-L44 VanDerWaalsContact O-CG 3.24Å; D40-L44 WeakPolarHBondContact O-CG 3.38Å; D40-L44 PolarHBondContact O-N 2.99Å; E41-L44 PolarHBondContact O-N 3.11Å
45	E	78.2	Confident	73.8	Confident	166 Å²	166	93.1 Å²	93.1	78%	0.776	48%	0.478	S	S	*	.	H	α-helix	trans	-90.3	-31.2	-175.6	-67.6	-171.6	162.6	0	0	113.6	E41	E41-E45 WeakPolarHBondContact O-CB 3.32Å; E41-E45 WeakPolarHBondContact O-CG 3.27Å; E41-E45 PolarHBondContact O-N 3.07Å
46	S	72.4	Confident	73.3	Confident	78 Å²	78	93.6 Å²	93.6	55%	0.545	48%	0.483	S	S	.	.	H	α-helix	trans	-117.7	-9.7	-165.9	-53.8	0	0	0	0	114.9	F42	F42-S46 WeakPolarHBondContact O-CA 3.41Å; F42-S46 WeakPolarHBondContact O-CB 3.49Å; F42-S46 PolarHBondContact O-N 2.97Å
47	V	79.8	Confident	72.4	Confident	28 Å²	28	95.5 Å²	95.5	17%	0.17	48%	0.484	C	S	.	.	S	Bend	trans	-110.1	122.8	-178.6	-176.1	0	0	0	0	110.7	F42 V43 T51 L52 W55	F42-V47 HydrophobicContact CE1-CG2 4.23Å; V43-V47 HydrophobicContact CG1-CB 4.46Å; V43-V47 HydrophobicContact CG2-CG2 4.45Å; V43-V47 WeakPolarHBondContact O-CB 3.36Å; V43-V47 PolarHBondContact O-N 3.38Å; V47-T51 HydrophobicContact CG1-CG2 4.12Å; V47-L52 HydrophobicContact CG1-CD1 4Å; V47-W55 HydrophobicContact CG1-CH2 4.16Å; V47-W55 HydrophobicContact CG1-CZ3 4.16Å; V47-W55 HydrophobicContact CG2-CH2 4.11Å; V47-W55 HydrophobicContact CG2-CZ3 4.36Å
48	S	74.6	Confident	71.5	Confident	62 Å²	62	97 Å²	97	43%	0.434	48%	0.483	S	S	.	.			trans	-70.4	150.1	177.5	70.1	0	0	0	0	112.3	E50 T51 L52	S48-E50 VanDerWaalsContact C-N 3.26Å; S48-E50 PolarHBondContact O-N 2.85Å; S48-T51 WeakPolarHBondContact O-CB 3.31Å; S48-T51 PolarHBondContact O-N 3.23Å; S48-T51 PolarHBondContact OG-OG1 3.5Å; S48-L52 PolarHBondContact O-N 2.95Å
49	A	65.5	Low	70.5	Confident	85 Å²	85	102.2 Å²	102.2	70%	0.702	50%	0.504	S	S	*	.	H	α-helix	trans	-55.1	-38.7	179.1	0	0	0	0	0	113.1	T51 L52 D53	A49-T51 VanDerWaalsContact C-N 3.32Å; A49-T51 PolarHBondContact O-N 3.27Å; A49-L52 WeakPolarHBondContact O-CB 3.31Å; A49-L52 PolarHBondContact O-N 3.36Å; A49-D53 PolarHBondContact O-N 3.1Å
50	E	62.4	Low	69	Low	148 Å²	148	104.3 Å²	104.3	69%	0.692	52%	0.52	S	S	*	.	H	α-helix	trans	-64.8	-33.9	176	-71.6	177.9	158	0	0	113.3	S48 R54	S48-E50 VanDerWaalsContact C-N 3.26Å; S48-E50 PolarHBondContact O-N 2.85Å; E50-R54 WeakPolarHBondContact O-CB 3.37Å; E50-R54 PolarHBondContact O-N 3.36Å
51	T	67.6	Low	67.2	Low	36 Å²	36	104.4 Å²	104.4	22%	0.221	53%	0.528	C	S	.	.	H	α-helix	trans	-73.8	-40.2	178.3	-55.9	0	0	0	0	110.1	V47 S48 A49 R54 W55	V47-T51 HydrophobicContact CG1-CG2 4.12Å; S48-T51 WeakPolarHBondContact O-CB 3.31Å; S48-T51 PolarHBondContact O-N 3.23Å; S48-T51 PolarHBondContact OG-OG1 3.5Å; A49-T51 VanDerWaalsContact C-N 3.32Å; A49-T51 PolarHBondContact O-N 3.27Å; T51-R54 WeakPolarHBondContact O-CB 3.45Å; T51-R54 PolarHBondContact O-N 3Å; T51-W55 HydrophobicContact CG2-CD2 4.42Å; T51-W55 HydrophobicContact CG2-CZ2 3.86Å; T51-W55 PolarHBondContact O-N 3.02Å
52	L	73.6	Confident	65.2	Low	67 Å²	67	103.5 Å²	103.5	35%	0.351	53%	0.533	S	S	.	.	H	α-helix	trans	-60.3	-45.3	174.7	-148	90.3	0	0	0	111.7	V43 V47 S48 A49 R54 W55 L56	V43-L52 HydrophobicContact CG1-CD1 3.45Å; V43-L52 VanDerWaalsContact CG1-CD1 3.45Å; V47-L52 HydrophobicContact CG1-CD1 4Å; S48-L52 PolarHBondContact O-N 2.95Å; A49-L52 WeakPolarHBondContact O-CB 3.31Å; A49-L52 PolarHBondContact O-N 3.36Å; L52-R54 VanDerWaalsContact C-N 3.33Å; L52-R54 PolarHBondContact O-N 3.32Å; L52-W55 PolarHBondContact O-N 3.2Å; L52-L56 PolarHBondContact O-N 3.31Å
53	D	61.5	Low	63.2	Low	48 Å²	48	107.8 Å²	107.8	26%	0.257	55%	0.546	S	S	.	.	H	α-helix	trans	-63.1	-38.5	177.7	-169.1	59.9	0	0	0	111.9	A49 W55 L56 K57 Y86	A49-D53 PolarHBondContact O-N 3.1Å; D53-W55 PolarHBondContact O-N 2.92Å; D53-L56 PolarHBondContact O-N 2.72Å; D53-K57 WeakPolarHBondContact O-CB 3.27Å; D53-K57 WeakPolarHBondContact O-CG 3.49Å; D53-K57 PolarHBondContact O-N 3.38Å; D53-K57 WeakPolarHBondContact OD2-CE 3.39Å; D53-K57 IonicContact OD2-NZ 2.71Å; D53-K57 PolarHBondContact OD2-NZ 3.11Å; D53-Y86 PolarHBondContact OD1-OH 3.32Å; D53-Y86 VanDerWaalsContact OD1-OH 3.07Å
54	R	68	Low	61	Low	146 Å²	146	111.9 Å²	111.9	55%	0.551	57%	0.574	S	S	*	*	H	α-helix	trans	-65.8	-38.3	175.2	-143.1	-175.3	-51.6	156.5	6.9	112.5	E50 T51 L52 R58	E50-R54 WeakPolarHBondContact O-CB 3.37Å; E50-R54 PolarHBondContact O-N 3.36Å; T51-R54 WeakPolarHBondContact O-CB 3.45Å; T51-R54 PolarHBondContact O-N 3Å; L52-R54 VanDerWaalsContact C-N 3.33Å; L52-R54 PolarHBondContact O-N 3.32Å; R54-R58 PolarHBondContact O-N 3.33Å; R54-R58 VanDerWaalsContact O-N 3.08Å
55	W	74.6	Confident	59.1	Low	135 Å²	135	109.7 Å²	109.7	51%	0.511	58%	0.577	S	S	.	*	H	α-helix	trans	-68	-42.2	176	-68.7	-0.3	0	0	0	111.6	V47 T51 L52 D53 R58 K59	V47-W55 HydrophobicContact CG1-CH2 4.16Å; V47-W55 HydrophobicContact CG1-CZ3 4.16Å; V47-W55 HydrophobicContact CG2-CH2 4.11Å; V47-W55 HydrophobicContact CG2-CZ3 4.36Å; T51-W55 HydrophobicContact CG2-CD2 4.42Å; T51-W55 HydrophobicContact CG2-CZ2 3.86Å; T51-W55 PolarHBondContact O-N 3.02Å; L52-W55 PolarHBondContact O-N 3.2Å; D53-W55 PolarHBondContact O-N 2.92Å; W55-R58 PolarHBondContact O-N 2.93Å; W55-K59 PolarHBondContact O-N 3.4Å
56	L	62.8	Low	56.8	Low	100 Å²	100	109.4 Å²	109.4	52%	0.524	58%	0.58	S	S	.	*	H	α-helix	trans	-59	-50.1	173.9	-81.3	160.2	0	0	0	111	L52 D53 R58 K59 T60	L52-L56 PolarHBondContact O-N 3.31Å; D53-L56 PolarHBondContact O-N 2.72Å; L56-R58 PolarHBondContact O-N 3.15Å; L56-K59 PolarHBondContact O-N 3.1Å; L56-K59 VanDerWaalsContact O-N 3.12Å; L56-T60 PolarHBondContact O-N 3.35Å; L56-T60 VanDerWaalsContact O-N 3.1Å; L56-T60 PolarHBondContact O-OG1 3.44Å
57	K	57.6	Low	54.8	Low	111 Å²	111	112 Å²	112	48%	0.483	59%	0.588	S	S	.	*	H	α-helix	trans	-54.2	-48.1	175.6	-79.3	169.5	175.1	156.8	0	112.1	D53 K59 T60 S61	D53-K57 WeakPolarHBondContact O-CB 3.27Å; D53-K57 WeakPolarHBondContact O-CG 3.49Å; D53-K57 PolarHBondContact O-N 3.38Å; D53-K57 WeakPolarHBondContact OD2-CE 3.39Å; D53-K57 IonicContact OD2-NZ 2.71Å; D53-K57 PolarHBondContact OD2-NZ 3.11Å; K57-K59 VanDerWaalsContact C-N 3.35Å; K57-K59 PolarHBondContact O-N 3.16Å; K57-T60 WeakPolarHBondContact CA-OG1 3.45Å; K57-T60 PolarHBondContact O-N 3.43Å; K57-T60 PolarHBondContact O-OG1 2.87Å; K57-S61 PolarHBondContact O-N 3.23Å; K57-S61 PolarHBondContact O-OG 3.12Å
58	R	56.8	Low	52.9	Low	189 Å²	189	117 Å²	117	71%	0.713	62%	0.619	S	S	*	*	H	α-helix	trans	-62.2	-36.3	177.4	-91.2	-175.4	177.8	176.5	-0.3	113.9	R54 W55 L56 T60 S61 S62	R54-R58 PolarHBondContact O-N 3.33Å; R54-R58 VanDerWaalsContact O-N 3.08Å; W55-R58 PolarHBondContact O-N 2.93Å; L56-R58 PolarHBondContact O-N 3.15Å; R58-T60 VanDerWaalsContact C-N 3.33Å; R58-S61 PolarHBondContact O-N 3.48Å; R58-S62 PolarHBondContact O-N 3.18Å; R58-S62 PolarHBondContact O-OG 3.44Å
59	K	55.4	Low	51	Low	168 Å²	168	118.5 Å²	118.5	73%	0.73	63%	0.629	S	S	*	*	H	α-helix	trans	-70	-32.3	178.6	-161.3	177.5	-177.2	-179.6	0	111.7	W55 L56 K57 S62	W55-K59 PolarHBondContact O-N 3.4Å; L56-K59 PolarHBondContact O-N 3.1Å; L56-K59 VanDerWaalsContact O-N 3.12Å; K57-K59 VanDerWaalsContact C-N 3.35Å; K57-K59 PolarHBondContact O-N 3.16Å; K59-S62 PolarHBondContact O-OG 3.02Å
60	T	46.4	Very low	49.3	Very low	115 Å²	115	121 Å²	121	71%	0.706	64%	0.636	S	S	*	*	H	α-helix	trans	-74.8	-31.6	172.9	32.8	0	0	0	0	113.7	L56 K57 R58	L56-T60 PolarHBondContact O-N 3.35Å; L56-T60 VanDerWaalsContact O-N 3.1Å; L56-T60 PolarHBondContact O-OG1 3.44Å; K57-T60 WeakPolarHBondContact CA-OG1 3.45Å; K57-T60 PolarHBondContact O-N 3.43Å; K57-T60 PolarHBondContact O-OG1 2.87Å; R58-T60 VanDerWaalsContact C-N 3.33Å
61	S	39.4	Very low	47.8	Very low	101 Å²	101	122 Å²	122	71%	0.706	64%	0.638	S	S	*	*	H	α-helix	trans	-79.5	-11.9	-178.2	-42.8	0	0	0	0	115.5	K57 R58	K57-S61 PolarHBondContact O-N 3.23Å; K57-S61 PolarHBondContact O-OG 3.12Å; R58-S61 PolarHBondContact O-N 3.48Å
62	S	36	Very low	46.1	Very low	87 Å²	87	128.5 Å²	128.5	61%	0.608	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.4	15.4	-166.1	43.9	0	0	0	0	115.6	R58 K59	R58-S62 PolarHBondContact O-N 3.18Å; R58-S62 PolarHBondContact O-OG 3.44Å; K59-S62 PolarHBondContact O-OG 3.02Å
63	R	36.4	Very low	44.2	Very low	207 Å²	207	131 Å²	131	78%	0.781	68%	0.684	S	S	*	*	S	Bend	trans	-97.8	123	170.3	-75.5	-174.1	175.5	-179.5	-0.8	110.6
64	P	34.6	Very low	42.8	Very low	126 Å²	126	133 Å²	133	82%	0.818	70%	0.702	S	S	*	*			trans	-68.6	145.2	179.3	-11.9	26.6	0	0	0	111.6	D66	P64-D66 PolarHBondContact O-N 3.36Å
65	A	36.5	Very low	41.3	Very low	101 Å²	101	135.1 Å²	135.1	84%	0.835	71%	0.71	S	S	*	*			trans	-80.1	93.6	172.9	0	0	0	0	0	109.9
66	D	31.7	Very low	39.6	Very low	159 Å²	159	135.3 Å²	135.3	85%	0.85	71%	0.712	S	S	*	*			trans	-163.3	96.5	158.7	-111.9	-12.5	0	0	0	108.5	P64	P64-D66 PolarHBondContact O-N 3.36Å
67	D	29.6	Very low	38.4	Very low	133 Å²	133	137.5 Å²	137.5	71%	0.711	72%	0.719	S	S	*	*			trans	177.7	88.4	139.4	-136.2	-6.2	0	0	0	107.7
68	T	39.7	Very low	37.8	Very low	133 Å²	133	139.5 Å²	139.5	82%	0.816	74%	0.735	S	S	*	*			trans	-74	128.2	167	42.4	0	0	0	0	108.5
69	S	34	Very low	36.8	Very low	93 Å²	93	136.6 Å²	136.6	65%	0.65	74%	0.739	S	S	*	*	S	Bend	trans	93.7	126.7	-178.9	81.2	0	0	0	0	114.6
70	T	30.1	Very low	36.5	Very low	137 Å²	137	134 Å²	134	84%	0.84	73%	0.732	S	S	*	*	S	Bend	trans	87.5	1.8	169.4	9.4	0	0	0	0	121.8
71	K	30.6	Very low	36.6	Very low	169 Å²	169	134.8 Å²	134.8	74%	0.735	73%	0.73	S	S	*	*			trans	-128.8	16.6	176.6	-85	-177.3	-177.2	166.1	0	118.3	V73	K71-V73 VanDerWaalsContact C-N 3.25Å; K71-V73 PolarHBondContact O-N 3.17Å
72	E	32.6	Very low	37.1	Very low	173 Å²	173	136.8 Å²	136.8	81%	0.808	73%	0.728	S	S	*	*	G	3₁₀ helix	trans	-74.6	-12.9	170.5	-79.3	-173.6	153.9	0	0	113.9
73	V	34.1	Very low	38	Very low	119 Å²	119	134.6 Å²	134.6	72%	0.721	72%	0.719	S	S	*	*	G	3₁₀ helix	trans	-81.7	-17.3	-172.7	-174.9	0	0	0	0	113.5	K71	K71-V73 VanDerWaalsContact C-N 3.25Å; K71-V73 PolarHBondContact O-N 3.17Å
74	S	32.1	Very low	38.9	Very low	92 Å²	92	126.6 Å²	126.6	64%	0.643	69%	0.693	S	S	*	*	G	3₁₀ helix	trans	-98.7	-2.5	-172.9	-173.3	0	0	0	0	115.2
75	R	35.4	Very low	39.9	Very low	190 Å²	190	123.5 Å²	123.5	72%	0.717	67%	0.672	S	S	*	*	S	Bend	trans	-86.6	-6.9	-176.9	-145.6	-175.6	-76.6	-172.8	-0	113.8
76	Y	40.5	Very low	41.1	Very low	139 Å²	139	124.5 Å²	124.5	55%	0.545	66%	0.655	S	S	.	*	S	Bend	trans	-121	10.1	-171.2	-62.6	-72.9	0	0	0	114.6	T115	Y76-T115 HydrophobicContact CD1-CG2 3.37Å; Y76-T115 HydrophobicContact CD2-CG2 4.01Å; Y76-T115 HydrophobicContact CE1-CG2 3.45Å; Y76-T115 VanDerWaalsContact CE1-CG2 3.45Å; Y76-T115 HydrophobicContact CE2-CG2 4.07Å; Y76-T115 HydrophobicContact CG-CG2 3.65Å
77	Q	37.4	Very low	42.4	Very low	145 Å²	145	122.4 Å²	122.4	68%	0.678	64%	0.64	S	S	*	*	S	Bend	trans	-86.1	-22.5	-174.2	-83.2	-174.6	-22.7	0	0	114.7
78	D	44.2	Very low	43.8	Very low	154 Å²	154	116.4 Å²	116.4	82%	0.824	61%	0.608	S	S	*	*	S	Bend	trans	-152.5	101.1	174	-94.4	-37.4	0	0	0	109.5
79	T	36.9	Very low	44.8	Very low	128 Å²	128	113.5 Å²	113.5	79%	0.785	59%	0.587	S	S	*	*			trans	-166.6	137.4	151.8	6.7	0	0	0	0	112.1
80	N	48.5	Very low	46.2	Very low	112 Å²	112	111.2 Å²	111.2	60%	0.599	57%	0.571	S	S	*	*			trans	-40.3	141.9	179.5	-131.1	-7.8	0	0	0	114	Q82 G83	N80-Q82 PolarHBondContact ND2-OE1 2.94Å; N80-Q82 PolarHBondContact O-N 3.29Å; N80-G83 PolarHBondContact O-N 3.27Å
81	M	48.8	Very low	47.8	Very low	132 Å²	132	107.3 Å²	107.3	65%	0.65	54%	0.543	S	S	*	.	H	α-helix	trans	-45.6	-22.5	174.7	-167.5	163.6	66.4	0	0	114.4	G83 V85	M81-G83 PolarHBondContact O-N 2.99Å; M81-V85 WeakPolarHBondContact O-CG2 3.42Å; M81-V85 PolarHBondContact O-N 3.22Å
82	Q	49.9	Very low	49.1	Very low	144 Å²	144	99.9 Å²	99.9	67%	0.673	51%	0.511	S	S	*	.	H	α-helix	trans	-60.4	-35	173	-71.6	170.6	-28.8	0	0	114.5	N80 Y86	N80-Q82 PolarHBondContact ND2-OE1 2.94Å; N80-Q82 PolarHBondContact O-N 3.29Å; Q82-Y86 WeakPolarHBondContact O-CB 3.45Å; Q82-Y86 PolarHBondContact O-N 2.88Å
83	G	55.3	Low	50.5	Low	40 Å²	40	98.1 Å²	98.1	41%	0.412	50%	0.503	S	S	.	.	H	α-helix	trans	-70.1	-39.2	-179.5	0	0	0	0	0	112.9	N80 M81 Y86 E87	N80-G83 PolarHBondContact O-N 3.27Å; M81-G83 PolarHBondContact O-N 2.99Å; G83-Y86 PolarHBondContact O-N 3.47Å; G83-E87 PolarHBondContact O-N 3.32Å
84	V	54.5	Low	51.7	Low	40 Å²	40	99.1 Å²	99.1	24%	0.242	50%	0.499	C	S	.	.	H	α-helix	trans	-65.6	-42.8	176.2	177.8	0	0	0	0	110.8	E87 L88 I112 A116	V84-E87 PolarHBondContact O-N 3.46Å; V84-L88 HydrophobicContact CG1-CD1 3.97Å; V84-L88 WeakPolarHBondContact O-CB 3.26Å; V84-L88 PolarHBondContact O-N 2.88Å; V84-I112 HydrophobicContact CG1-CG2 3.88Å; V84-A116 HydrophobicContact CG1-CB 4.14Å
85	V	56.1	Low	52.9	Low	61 Å²	61	99.8 Å²	99.8	37%	0.37	49%	0.488	S	S	.	.	H	α-helix	trans	-65.4	-39.7	177	173.4	0	0	0	0	111.7	M81 L88 N89	M81-V85 WeakPolarHBondContact O-CG2 3.42Å; M81-V85 PolarHBondContact O-N 3.22Å; V85-L88 PolarHBondContact O-N 3.23Å; V85-N89 PolarHBondContact O-N 3.4Å
86	Y	61.7	Low	53.8	Low	121 Å²	121	93.9 Å²	93.9	48%	0.475	47%	0.47	S	S	.	.	H	α-helix	trans	-66.3	-44.4	176.9	-177.3	-91.9	0	0	0	112.3	D53 Q82 G83 N89 S90	D53-Y86 PolarHBondContact OD1-OH 3.32Å; D53-Y86 VanDerWaalsContact OD1-OH 3.07Å; Q82-Y86 WeakPolarHBondContact O-CB 3.45Å; Q82-Y86 PolarHBondContact O-N 2.88Å; G83-Y86 PolarHBondContact O-N 3.47Å; Y86-N89 PolarHBondContact O-N 3.47Å; Y86-S90 WeakPolarHBondContact O-CB 3.16Å; Y86-S90 PolarHBondContact O-N 3.04Å
87	E	58.4	Low	54.2	Low	115 Å²	115	94.5 Å²	94.5	54%	0.537	48%	0.483	S	S	.	.	H	α-helix	trans	-63.9	-40.3	174.7	-80.7	-169.1	169.2	0	0	112	G83 V84 S90 F91	G83-E87 PolarHBondContact O-N 3.32Å; V84-E87 PolarHBondContact O-N 3.46Å; E87-S90 PolarHBondContact O-N 3.4Å; E87-F91 WeakPolarHBondContact O-CB 3.4Å; E87-F91 PolarHBondContact O-N 2.91Å
88	L	59.7	Low	54.6	Low	7 Å²	7	92.2 Å²	92.2	4%	0.037	48%	0.479	C	S	.	.	H	α-helix	trans	-57.3	-51.5	173.3	-108.1	130	0	0	0	111.4	V84 V85 F91 M92 L109 I112 N236	V84-L88 HydrophobicContact CG1-CD1 3.97Å; V84-L88 WeakPolarHBondContact O-CB 3.26Å; V84-L88 PolarHBondContact O-N 2.88Å; V85-L88 PolarHBondContact O-N 3.23Å; L88-F91 PolarHBondContact O-N 3.34Å; L88-M92 HydrophobicContact CB-SD 4.43Å; L88-M92 HydrophobicContact CD2-SD 3.89Å; L88-M92 WeakPolarHBondContact O-CB 3.31Å; L88-M92 WeakPolarHBondContact O-CG 3.22Å; L88-M92 PolarHBondContact O-N 3.38Å; L88-L109 HydrophobicContact CD2-CD2 3.63Å; L88-L109 HydrophobicContact CG-CD2 4.14Å; L88-I112 HydrophobicContact CD1-CG2 3.81Å; L88-I112 HydrophobicContact CG-CD1 4.47Å; L88-I112 HydrophobicContact CG-CG2 4.41Å; L88-N236 HydrophobicContact CD1-CB 4.39Å; L88-N236 VanDerWaalsContact CD1-OD1 3.26Å; L88-N236 WeakPolarHBondContact CD1-OD1 3.36Å
89	N	60.2	Low	54.9	Low	73 Å²	73	87.3 Å²	87.3	39%	0.39	47%	0.465	S	S	.	.	H	α-helix	trans	-62.5	-45.3	179.5	-84.3	-7.1	0	0	0	112.3	V85 Y86 F91 M92 E93	V85-N89 PolarHBondContact O-N 3.4Å; Y86-N89 PolarHBondContact O-N 3.47Å; N89-F91 VanDerWaalsContact C-N 3.34Å; N89-F91 PolarHBondContact O-N 2.98Å; N89-M92 PolarHBondContact O-N 2.72Å; N89-E93 WeakPolarHBondContact O-CG 3.4Å; N89-E93 PolarHBondContact O-N 3.03Å
90	S	63.8	Low	55.8	Low	45 Å²	45	82.6 Å²	82.6	32%	0.315	44%	0.441	S	S	.	.	H	α-helix	trans	-64.6	-38.5	178.9	-179.6	0	0	0	0	112.4	Y86 E87 Q94	Y86-S90 WeakPolarHBondContact O-CB 3.16Å; Y86-S90 PolarHBondContact O-N 3.04Å; E87-S90 PolarHBondContact O-N 3.4Å; S90-Q94 PolarHBondContact O-N 2.92Å; S90-Q94 VanDerWaalsContact O-N 3.13Å
91	F	62.6	Low	56.7	Low	54 Å²	54	81 Å²	81	24%	0.237	43%	0.433	C	S	.	.	H	α-helix	trans	-69.4	-39.2	178.5	-166.4	-101.5	0	0	0	112.1	E87 L88 N89 R95 L105 E108 L109	E87-F91 WeakPolarHBondContact O-CB 3.4Å; E87-F91 PolarHBondContact O-N 2.91Å; L88-F91 PolarHBondContact O-N 3.34Å; N89-F91 VanDerWaalsContact C-N 3.34Å; N89-F91 PolarHBondContact O-N 2.98Å; F91-R95 HydrophobicContact CE1-CG 4.48Å; F91-R95 PolarHBondContact O-N 2.91Å; F91-L105 HydrophobicContact CD1-CD1 4.14Å; F91-L105 HydrophobicContact CE1-CD1 3.94Å; F91-E108 HydrophobicContact CE1-CB 3.72Å; F91-E108 HydrophobicContact CE1-CG 4.45Å; F91-E108 VanDerWaalsContact CE1-OE2 3.28Å; F91-E108 WeakPolarHBondContact CE1-OE2 3.45Å; F91-E108 HydrophobicContact CZ-CB 3.9Å; F91-E108 HydrophobicContact CZ-CG 4.21Å; F91-E108 WeakPolarHBondContact CZ-OE2 3.49Å; F91-L109 HydrophobicContact CD1-CD2 4.4Å
92	M	59	Low	57.8	Low	14 Å²	14	76.3 Å²	76.3	7%	0.069	41%	0.41	C	S	.	.	H	α-helix	trans	-62.7	-54.2	173.6	-68.2	161	70.4	0	0	109.3	L88 N89 Q94 R95 L96 L109 A243	L88-M92 HydrophobicContact CB-SD 4.43Å; L88-M92 HydrophobicContact CD2-SD 3.89Å; L88-M92 WeakPolarHBondContact O-CB 3.31Å; L88-M92 WeakPolarHBondContact O-CG 3.22Å; L88-M92 PolarHBondContact O-N 3.38Å; N89-M92 PolarHBondContact O-N 2.72Å; M92-Q94 PolarHBondContact O-N 3.34Å; M92-R95 PolarHBondContact O-N 3.14Å; M92-L96 VanDerWaalsContact C-CD1 3.46Å; M92-L96 HydrophobicContact CB-CD1 4.18Å; M92-L96 WeakPolarHBondContact O-CB 3.46Å; M92-L96 WeakPolarHBondContact O-CD1 3.46Å; M92-L96 WeakPolarHBondContact O-CG 3.44Å; M92-L96 PolarHBondContact O-N 2.75Å; M92-L109 HydrophobicContact CG-CD2 4.43Å; M92-A243 HydrophobicContact CE-CB 2.93Å
93	E	60.3	Low	59.1	Low	136 Å²	136	73.1 Å²	73.1	64%	0.636	39%	0.394	S	S	*	.	H	α-helix	trans	-53	-45.1	179	-76.5	178.3	178.3	0	0	113.8	N89 R95	N89-E93 WeakPolarHBondContact O-CG 3.4Å; N89-E93 PolarHBondContact O-N 3.03Å; E93-R95 PolarHBondContact O-N 2.81Å
94	Q	59.8	Low	60	Low	139 Å²	139	74 Å²	74	65%	0.65	39%	0.389	S	S	*	.	H	α-helix	trans	-68.1	-31	-179.2	-81.2	-173.9	-21.5	0	0	114.9	S90 M92	S90-Q94 PolarHBondContact O-N 2.92Å; S90-Q94 VanDerWaalsContact O-N 3.13Å; M92-Q94 PolarHBondContact O-N 3.34Å
95	R	57.6	Low	61	Low	107 Å²	107	73.1 Å²	73.1	40%	0.404	38%	0.383	S	S	.	.	H	α-helix	trans	-95.3	-16.8	-175.6	-73.1	-71.5	-157.4	174	5.4	113.2	F91 M92 E93 D97 T98 L105 E108	F91-R95 HydrophobicContact CE1-CG 4.48Å; F91-R95 PolarHBondContact O-N 2.91Å; M92-R95 PolarHBondContact O-N 3.14Å; E93-R95 PolarHBondContact O-N 2.81Å; R95-D97 VanDerWaalsContact C-N 3.34Å; R95-T98 PolarHBondContact O-N 3.3Å; R95-T98 PolarHBondContact O-OG1 3.29Å; R95-L105 HydrophobicContact CB-CD1 4.19Å; R95-E108 IonicContact NH2-OE1 2.88Å
96	L	53.8	Low	62.2	Low	65 Å²	65	70.3 Å²	70.3	34%	0.34	37%	0.366	S	S	.	.	H	α-helix	trans	-63.6	-37.8	175.8	-75.2	166.5	0	0	0	112.2	M92 V247	M92-L96 VanDerWaalsContact C-CD1 3.46Å; M92-L96 HydrophobicContact CB-CD1 4.18Å; M92-L96 WeakPolarHBondContact O-CB 3.46Å; M92-L96 WeakPolarHBondContact O-CD1 3.46Å; M92-L96 WeakPolarHBondContact O-CG 3.44Å; M92-L96 PolarHBondContact O-N 2.75Å; L96-V247 HydrophobicContact CD2-CB 4.27Å; L96-V247 HydrophobicContact CD2-CG2 2.81Å; L96-V247 HydrophobicContact CG-CG2 4.28Å
97	D	49.4	Very low	63.2	Low	153 Å²	153	67.2 Å²	67.2	82%	0.818	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-17.8	-178.9	-79.8	-14.9	0	0	0	114.5	R95	R95-D97 VanDerWaalsContact C-N 3.34Å
98	T	46	Very low	64.1	Low	96 Å²	96	64.1 Å²	64.1	59%	0.589	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.1	12.5	-167.9	43.9	0	0	0	0	115.2	R95 G100	R95-T98 PolarHBondContact O-N 3.3Å; R95-T98 PolarHBondContact O-OG1 3.29Å; T98-G100 VanDerWaalsContact C-N 3.26Å; T98-G100 PolarHBondContact O-N 3.42Å
99	G	50.6	Low	65.1	Low	52 Å²	52	64 Å²	64	54%	0.536	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.8	21.8	173.9	0	0	0	0	0	114.4	R251	G99-R251 VanDerWaalsContact C-NH2 3.31Å; G99-R251 VanDerWaalsContact CA-NH2 3.28Å
100	G	56.3	Low	66.3	Low	28 Å²	28	60.6 Å²	60.6	29%	0.289	32%	0.321	S	S	.	.			trans	-61.8	160.9	-170.5	0	0	0	0	0	116.3	T98 N102	T98-G100 VanDerWaalsContact C-N 3.26Å; T98-G100 PolarHBondContact O-N 3.42Å; G100-N102 PolarHBondContact O-N 2.71Å
101	D	67.6	Low	67.2	Low	79 Å²	79	61 Å²	61	42%	0.422	32%	0.319	S	S	.	.			trans	-69.3	111.5	173.8	-177.2	-10.2	0	0	0	110.5	K103 L104 L105	D101-K103 PolarHBondContact O-N 3.28Å; D101-K103 VanDerWaalsContact O-N 3.09Å; D101-K103 WeakPolarHBondContact OD1-CB 3.44Å; D101-K103 PolarHBondContact OD1-N 3.42Å; D101-L104 HydrophobicContact CB-CB 4.07Å; D101-L104 WeakPolarHBondContact O-CB 3.31Å; D101-L104 PolarHBondContact O-N 2.94Å; D101-L105 PolarHBondContact O-N 3.23Å
102	N	70.3	Confident	68.1	Low	33 Å²	33	60 Å²	60	18%	0.176	32%	0.316	C	S	.	.	H	α-helix	trans	-55.5	-28.6	-179.4	-67.6	8.9	0	0	0	112.9	G100 L106 Q248	G100-N102 PolarHBondContact O-N 2.71Å; N102-L106 PolarHBondContact O-N 2.93Å; N102-L106 VanDerWaalsContact O-N 3.1Å; N102-Q248 PolarHBondContact ND2-NE2 3.46Å
103	K	77.1	Confident	69.3	Low	78 Å²	78	59.4 Å²	59.4	34%	0.339	31%	0.313	S	S	.	.	H	α-helix	trans	-72.8	-39.3	178.7	-60.8	176.6	-179.4	168.6	0	111.4	D101 Y107 F126 Y137	D101-K103 PolarHBondContact O-N 3.28Å; D101-K103 VanDerWaalsContact O-N 3.09Å; D101-K103 WeakPolarHBondContact OD1-CB 3.44Å; D101-K103 PolarHBondContact OD1-N 3.42Å; K103-Y107 WeakPolarHBondContact O-CB 3.41Å; K103-Y107 PolarHBondContact O-N 3.02Å; K103-Y107 VanDerWaalsContact O-N 3.09Å; K103-F126 HydrophobicContact CB-CE1 4.36Å; K103-F126 HydrophobicContact CB-CE2 4.05Å; K103-F126 HydrophobicContact CB-CZ 3.76Å; K103-F126 HydrophobicContact CG-CD1 4.34Å; K103-F126 HydrophobicContact CG-CE1 3.87Å; K103-F126 HydrophobicContact CG-CE2 4.14Å; K103-F126 HydrophobicContact CG-CZ 3.76Å; K103-Y137 HydrophobicContact CB-CD2 4.11Å; K103-Y137 HydrophobicContact CB-CE2 3.63Å; K103-Y137 HydrophobicContact CD-CD2 4.44Å; K103-Y137 HydrophobicContact CD-CE2 4.28Å
104	L	76.1	Confident	70.6	Confident	57 Å²	57	55.7 Å²	55.7	30%	0.298	30%	0.295	S	S	.	.	H	α-helix	trans	-67.4	-41.7	175.3	-173.7	65.2	0	0	0	111.2	D101 L106 Y107 E108	D101-L104 HydrophobicContact CB-CB 4.07Å; D101-L104 WeakPolarHBondContact O-CB 3.31Å; D101-L104 PolarHBondContact O-N 2.94Å; L104-L106 PolarHBondContact O-N 2.94Å; L104-Y107 WeakPolarHBondContact O-CB 3.5Å; L104-Y107 PolarHBondContact O-N 3.07Å; L104-Y107 VanDerWaalsContact O-N 3.15Å; L104-E108 WeakPolarHBondContact O-CG 3.34Å; L104-E108 PolarHBondContact O-N 3.19Å
105	L	75.3	Confident	71.8	Confident	22 Å²	22	51.1 Å²	51.1	12%	0.115	28%	0.277	C	S	.	.	H	α-helix	trans	-58.6	-48.1	175.4	-177.5	68	0	0	0	111.3	F91 R95 D101 Y107 E108 L109 I244	F91-L105 HydrophobicContact CD1-CD1 4.14Å; F91-L105 HydrophobicContact CE1-CD1 3.94Å; R95-L105 HydrophobicContact CB-CD1 4.19Å; D101-L105 PolarHBondContact O-N 3.23Å; L105-Y107 VanDerWaalsContact C-N 3.27Å; L105-Y107 PolarHBondContact O-N 3.46Å; L105-E108 PolarHBondContact O-N 2.92Å; L105-L109 HydrophobicContact CG-CD1 4.12Å; L105-L109 WeakPolarHBondContact O-CB 3.23Å; L105-L109 VanDerWaalsContact O-CG 3.26Å; L105-L109 WeakPolarHBondContact O-CG 3.41Å; L105-L109 PolarHBondContact O-N 2.94Å; L105-I244 HydrophobicContact CD2-CG1 4.13Å
106	L	80.2	Confident	72.8	Confident	3 Å²	3	47.7 Å²	47.7	2%	0.016	27%	0.271	C	S	.	.	H	α-helix	trans	-60.3	-36.8	175.8	-83.3	168.7	0	0	0	112.7	N102 L104 S110 L124 F126 V203 I211 A212 I244	N102-L106 PolarHBondContact O-N 2.93Å; N102-L106 VanDerWaalsContact O-N 3.1Å; L104-L106 PolarHBondContact O-N 2.94Å; L106-S110 VanDerWaalsContact O-CB 3.32Å; L106-S110 WeakPolarHBondContact O-CB 3.46Å; L106-S110 PolarHBondContact O-N 3.28Å; L106-S110 PolarHBondContact O-OG 3.27Å; L106-L124 HydrophobicContact CB-CD2 3.95Å; L106-F126 HydrophobicContact CB-CZ 4.27Å; L106-F126 HydrophobicContact CD1-CE1 3.67Å; L106-F126 HydrophobicContact CD1-CZ 3.88Å; L106-V203 HydrophobicContact CD2-CG1 4.26Å; L106-I211 HydrophobicContact CD1-CG2 4.14Å; L106-A212 HydrophobicContact CD1-CB 4.2Å; L106-I244 HydrophobicContact CD1-CD1 3.98Å; L106-I244 HydrophobicContact CD2-CD1 3.25Å; L106-I244 HydrophobicContact CG-CD1 3.38Å
107	Y	83.4	Confident	74.3	Confident	56 Å²	56	44.6 Å²	44.6	22%	0.22	26%	0.255	C	S	.	.	H	α-helix	trans	-67.6	-41.4	177.2	-174.9	-91.4	0	0	0	112.7	K103 L104 L105 S110 N111 F122 L124 Y137 P139	K103-Y107 WeakPolarHBondContact O-CB 3.41Å; K103-Y107 PolarHBondContact O-N 3.02Å; K103-Y107 VanDerWaalsContact O-N 3.09Å; L104-Y107 WeakPolarHBondContact O-CB 3.5Å; L104-Y107 PolarHBondContact O-N 3.07Å; L104-Y107 VanDerWaalsContact O-N 3.15Å; L105-Y107 VanDerWaalsContact C-N 3.27Å; L105-Y107 PolarHBondContact O-N 3.46Å; Y107-S110 PolarHBondContact O-N 2.97Å; Y107-N111 WeakPolarHBondContact CE1-ND2 3.43Å; Y107-N111 PolarHBondContact O-N 3.43Å; Y107-N111 PolarHBondContact O-ND2 3.42Å; Y107-F122 AromaticContact CD2-CE2 3.8Å; Y107-F122 HydrophobicContact CD2-CE2 3.8Å; Y107-F122 AromaticContact CD2-CZ 3.78Å; Y107-F122 HydrophobicContact CD2-CZ 3.78Å; Y107-F122 HydrophobicContact CE1-CZ 4.22Å; Y107-F122 HydrophobicContact CE2-CE1 4.48Å; Y107-F122 AromaticContact CE2-CE2 3.71Å; Y107-F122 HydrophobicContact CE2-CE2 3.71Å; Y107-F122 AromaticContact CE2-CZ 3.43Å; Y107-F122 HydrophobicContact CE2-CZ 3.43Å; Y107-F122 VanDerWaalsContact CE2-CZ 3.43Å; Y107-F122 HydrophobicContact CG-CZ 4.32Å; Y107-F122 AromaticContact CZ-CZ 3.65Å; Y107-L124 HydrophobicContact CD2-CD2 4.36Å; Y107-Y137 AromaticContact CD2-CD1 3.63Å; Y107-Y137 HydrophobicContact CD2-CD1 3.63Å; Y107-Y137 AromaticContact CD2-CE1 3.95Å; Y107-Y137 HydrophobicContact CD2-CE1 3.95Å; Y107-Y137 HydrophobicContact CE2-CD1 4.46Å; Y107-Y137 AromaticContact CG-CD1 3.99Å; Y107-Y137 HydrophobicContact CG-CD1 3.99Å; Y107-Y137 AromaticContact CG-CE1 3.83Å; Y107-Y137 HydrophobicContact CG-CE1 3.83Å; Y107-P139 HydrophobicContact CD1-CB 4.07Å; Y107-P139 HydrophobicContact CD1-CG 4.26Å; Y107-P139 HydrophobicContact CE1-CB 3.83Å; Y107-P139 HydrophobicContact CE1-CG 3.56Å; Y107-P139 HydrophobicContact CE2-CG 3.96Å; Y107-P139 WeakPolarHBondContact OH-CG 3.07Å
108	E	78	Confident	76	Confident	50 Å²	50	44 Å²	44	23%	0.234	25%	0.245	C	C	.	.	H	α-helix	trans	-66.3	-42.8	175.2	-70.1	172.1	150.1	0	0	111.1	F91 R95 L104 L105 S110 N111 I112	F91-E108 HydrophobicContact CE1-CB 3.72Å; F91-E108 HydrophobicContact CE1-CG 4.45Å; F91-E108 VanDerWaalsContact CE1-OE2 3.28Å; F91-E108 WeakPolarHBondContact CE1-OE2 3.45Å; F91-E108 HydrophobicContact CZ-CB 3.9Å; F91-E108 HydrophobicContact CZ-CG 4.21Å; F91-E108 WeakPolarHBondContact CZ-OE2 3.49Å; R95-E108 IonicContact NH2-OE1 2.88Å; L104-E108 WeakPolarHBondContact O-CG 3.34Å; L104-E108 PolarHBondContact O-N 3.19Å; L105-E108 PolarHBondContact O-N 2.92Å; E108-S110 VanDerWaalsContact C-N 3.32Å; E108-S110 PolarHBondContact O-N 3.47Å; E108-N111 WeakPolarHBondContact O-CB 3.48Å; E108-N111 PolarHBondContact O-N 3.36Å; E108-N111 VanDerWaalsContact O-N 3.14Å; E108-I112 PolarHBondContact O-N 3.32Å
109	L	79	Confident	78	Confident	3 Å²	3	39.9 Å²	39.9	2%	0.016	22%	0.221	C	C	.	.	H	α-helix	trans	-62.7	-37.9	174.3	-68.3	175.5	0	0	0	112.3	L88 F91 M92 L105 N111 I112 I113 A240	L88-L109 HydrophobicContact CD2-CD2 3.63Å; L88-L109 HydrophobicContact CG-CD2 4.14Å; F91-L109 HydrophobicContact CD1-CD2 4.4Å; M92-L109 HydrophobicContact CG-CD2 4.43Å; L105-L109 HydrophobicContact CG-CD1 4.12Å; L105-L109 WeakPolarHBondContact O-CB 3.23Å; L105-L109 VanDerWaalsContact O-CG 3.26Å; L105-L109 WeakPolarHBondContact O-CG 3.41Å; L105-L109 PolarHBondContact O-N 2.94Å; L109-N111 VanDerWaalsContact C-N 3.26Å; L109-N111 PolarHBondContact O-N 3.44Å; L109-I112 HydrophobicContact CD2-CD1 4.26Å; L109-I112 WeakPolarHBondContact O-CB 3.44Å; L109-I112 PolarHBondContact O-N 3.41Å; L109-I112 VanDerWaalsContact O-N 3.1Å; L109-I113 WeakPolarHBondContact O-CG1 3.29Å; L109-I113 PolarHBondContact O-N 2.97Å; L109-A240 HydrophobicContact CD1-CB 3.66Å
110	S	85.9	Confident	79.9	Confident	2 Å²	2	39.6 Å²	39.6	1%	0.014	21%	0.207	C	C	.	.	H	α-helix	trans	-62.6	-33	175.6	-61	0	0	0	0	112.3	L106 Y107 E108 I113 K114	L106-S110 VanDerWaalsContact O-CB 3.32Å; L106-S110 WeakPolarHBondContact O-CB 3.46Å; L106-S110 PolarHBondContact O-N 3.28Å; L106-S110 PolarHBondContact O-OG 3.27Å; Y107-S110 PolarHBondContact O-N 2.97Å; E108-S110 VanDerWaalsContact C-N 3.32Å; E108-S110 PolarHBondContact O-N 3.47Å; S110-I113 PolarHBondContact O-N 2.83Å; S110-K114 WeakPolarHBondContact O-CB 3.4Å; S110-K114 PolarHBondContact O-N 3.23Å
111	N	83.3	Confident	81.5	Confident	53 Å²	53	40 Å²	40	28%	0.283	21%	0.206	S	C	.	.	H	α-helix	trans	-66.3	-36.7	172.6	-82.9	-70.3	0	0	0	113	Y107 E108 L109 K114 T115 F122	Y107-N111 WeakPolarHBondContact CE1-ND2 3.43Å; Y107-N111 PolarHBondContact O-N 3.43Å; Y107-N111 PolarHBondContact O-ND2 3.42Å; E108-N111 WeakPolarHBondContact O-CB 3.48Å; E108-N111 PolarHBondContact O-N 3.36Å; E108-N111 VanDerWaalsContact O-N 3.14Å; L109-N111 VanDerWaalsContact C-N 3.26Å; L109-N111 PolarHBondContact O-N 3.44Å; N111-K114 WeakPolarHBondContact O-CB 3.27Å; N111-T115 PolarHBondContact O-N 3.19Å; N111-T115 VanDerWaalsContact O-N 3.13Å; N111-T115 PolarHBondContact O-OG1 3.48Å; N111-F122 HydrophobicContact CB-CE1 4.46Å; N111-F122 VanDerWaalsContact OD1-CE1 3.25Å; N111-F122 WeakPolarHBondContact OD1-CE1 3.31Å
112	I	80.8	Confident	82.6	Confident	34 Å²	34	37.6 Å²	37.6	17%	0.174	19%	0.191	C	C	.	.	H	α-helix	trans	-66.6	-45.5	175.8	-60.1	172.9	0	0	0	109.5	V84 L88 E108 L109 K114 T115 A116	V84-I112 HydrophobicContact CG1-CG2 3.88Å; L88-I112 HydrophobicContact CD1-CG2 3.81Å; L88-I112 HydrophobicContact CG-CD1 4.47Å; L88-I112 HydrophobicContact CG-CG2 4.41Å; E108-I112 PolarHBondContact O-N 3.32Å; L109-I112 HydrophobicContact CD2-CD1 4.26Å; L109-I112 WeakPolarHBondContact O-CB 3.44Å; L109-I112 PolarHBondContact O-N 3.41Å; L109-I112 VanDerWaalsContact O-N 3.1Å; I112-K114 VanDerWaalsContact C-N 3.35Å; I112-K114 PolarHBondContact O-N 2.71Å; I112-T115 PolarHBondContact O-N 3.24Å; I112-T115 VanDerWaalsContact O-N 3.14Å; I112-A116 PolarHBondContact O-N 3.28Å
113	I	84.5	Confident	83.6	Confident	2 Å²	2	36.2 Å²	36.2	1%	0.01	19%	0.185	C	C	.	.	H	α-helix	trans	-62.3	-41.5	177.2	-63.5	170.8	0	0	0	111.2	L109 S110 T115 A116 T117 L214 L216 A233 N236 L237	L109-I113 WeakPolarHBondContact O-CG1 3.29Å; L109-I113 PolarHBondContact O-N 2.97Å; S110-I113 PolarHBondContact O-N 2.83Å; I113-T115 VanDerWaalsContact C-N 3.27Å; I113-T115 PolarHBondContact O-N 2.67Å; I113-A116 PolarHBondContact O-N 3.2Å; I113-T117 HydrophobicContact CG2-CG2 4.23Å; I113-T117 WeakPolarHBondContact O-CB 3.46Å; I113-T117 WeakPolarHBondContact O-CG2 3.42Å; I113-T117 PolarHBondContact O-N 3.24Å; I113-T117 PolarHBondContact O-OG1 3.49Å; I113-L214 HydrophobicContact CB-CD2 4.34Å; I113-L214 HydrophobicContact CD1-CD2 3.9Å; I113-L214 HydrophobicContact CG2-CD2 4.09Å; I113-L216 HydrophobicContact CG2-CD1 3.97Å; I113-A233 HydrophobicContact CG2-CB 4.07Å; I113-N236 HydrophobicContact CD1-CB 4.28Å; I113-N236 HydrophobicContact CG1-CB 3.96Å; I113-L237 HydrophobicContact CD1-CB 4.27Å; I113-L237 HydrophobicContact CD1-CD1 3.82Å
114	K	88.5	Confident	84.2	Confident	57 Å²	57	32.6 Å²	32.6	25%	0.248	17%	0.169	C	C	.	.	H	α-helix	trans	-53.8	-47.4	173.2	-174.4	-156.8	78.5	-177.5	0	110.9	S110 N111 I112 T117 K118 A119 F122 L216	S110-K114 WeakPolarHBondContact O-CB 3.4Å; S110-K114 PolarHBondContact O-N 3.23Å; N111-K114 WeakPolarHBondContact O-CB 3.27Å; I112-K114 VanDerWaalsContact C-N 3.35Å; I112-K114 PolarHBondContact O-N 2.71Å; K114-T117 PolarHBondContact O-OG1 3.28Å; K114-K118 PolarHBondContact O-N 3.26Å; K114-K118 VanDerWaalsContact O-N 3.09Å; K114-A119 HydrophobicContact CB-CB 4.47Å; K114-A119 HydrophobicContact CG-CB 3.77Å; K114-A119 WeakPolarHBondContact CG-O 3.33Å; K114-A119 PolarHBondContact O-N 2.96Å; K114-F122 HydrophobicContact CB-CD1 4.24Å; K114-F122 HydrophobicContact CD-CD1 4.02Å; K114-F122 HydrophobicContact CG-CD1 4.37Å; K114-L216 HydrophobicContact CB-CD2 4.34Å
115	T	83.8	Confident	84.9	Confident	44 Å²	44	30 Å²	30	27%	0.27	16%	0.155	S	C	.	.	H	α-helix	trans	-67.6	-44.4	-179.2	-52.7	0	0	0	0	112	Y76 N111 I112 I113 T117 K118	Y76-T115 HydrophobicContact CD1-CG2 3.37Å; Y76-T115 HydrophobicContact CD2-CG2 4.01Å; Y76-T115 HydrophobicContact CE1-CG2 3.45Å; Y76-T115 VanDerWaalsContact CE1-CG2 3.45Å; Y76-T115 HydrophobicContact CE2-CG2 4.07Å; Y76-T115 HydrophobicContact CG-CG2 3.65Å; N111-T115 PolarHBondContact O-N 3.19Å; N111-T115 VanDerWaalsContact O-N 3.13Å; N111-T115 PolarHBondContact O-OG1 3.48Å; I112-T115 PolarHBondContact O-N 3.24Å; I112-T115 VanDerWaalsContact O-N 3.14Å; I113-T115 VanDerWaalsContact C-N 3.27Å; I113-T115 PolarHBondContact O-N 2.67Å; T115-T117 VanDerWaalsContact C-N 3.32Å; T115-T117 PolarHBondContact O-N 2.71Å; T115-K118 PolarHBondContact O-N 3.31Å; T115-K118 VanDerWaalsContact O-N 3.12Å
116	A	80.1	Confident	85.6	Confident	35 Å²	35	29.7 Å²	29.7	29%	0.289	15%	0.153	S	C	.	.	H	α-helix	trans	-64.1	-34.2	179.3	0	0	0	0	0	113.3	V84 I112 I113 K118 V232	V84-A116 HydrophobicContact CG1-CB 4.14Å; I112-A116 PolarHBondContact O-N 3.28Å; I113-A116 PolarHBondContact O-N 3.2Å; A116-K118 VanDerWaalsContact C-N 3.34Å; A116-V232 HydrophobicContact CB-CG1 4.21Å
117	T	84.4	Confident	85.8	Confident	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-1.6	177.1	56.7	0	0	0	0	113.3	I113 K114 T115 A119 L216 A233	I113-T117 HydrophobicContact CG2-CG2 4.23Å; I113-T117 WeakPolarHBondContact O-CB 3.46Å; I113-T117 WeakPolarHBondContact O-CG2 3.42Å; I113-T117 PolarHBondContact O-N 3.24Å; I113-T117 PolarHBondContact O-OG1 3.49Å; K114-T117 PolarHBondContact O-OG1 3.28Å; T115-T117 VanDerWaalsContact C-N 3.32Å; T115-T117 PolarHBondContact O-N 2.71Å; T117-A119 PolarHBondContact O-N 3.12Å; T117-L216 HydrophobicContact CG2-CD1 4.19Å; T117-A233 HydrophobicContact CG2-CB 3.9Å
118	K	85.6	Confident	85.4	Confident	140 Å²	140	29.4 Å²	29.4	61%	0.609	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.7	29.7	-173.1	-57.5	178.2	178.8	177.7	0	112.9	K114 T115 A116 R218	K114-K118 PolarHBondContact O-N 3.26Å; K114-K118 VanDerWaalsContact O-N 3.09Å; T115-K118 PolarHBondContact O-N 3.31Å; T115-K118 VanDerWaalsContact O-N 3.12Å; A116-K118 VanDerWaalsContact C-N 3.34Å; K118-R218 PolarHBondContact O-NH1 3.43Å; K118-R218 PolarHBondContact O-NH2 3.01Å
119	A	88.1	Confident	84.8	Confident	9 Å²	9	36.8 Å²	36.8	7%	0.074	19%	0.192	C	C	.	.			trans	-66.7	148.3	175.8	0	0	0	0	0	111	K114 T117 L216 F225	K114-A119 HydrophobicContact CB-CB 4.47Å; K114-A119 HydrophobicContact CG-CB 3.77Å; K114-A119 WeakPolarHBondContact CG-O 3.33Å; K114-A119 PolarHBondContact O-N 2.96Å; T117-A119 PolarHBondContact O-N 3.12Å; A119-L216 HydrophobicContact CB-CB 4.17Å; A119-L216 HydrophobicContact CB-CD2 4.23Å; A119-F225 HydrophobicContact CB-CE1 4.03Å; A119-F225 HydrophobicContact CB-CZ 3.63Å
120	D	89.8	Confident	83.9	Confident	46 Å²	46	41.6 Å²	41.6	25%	0.246	22%	0.224	C	C	.	.	S	Bend	trans	-81.9	-36.4	-178.1	-59.2	-62.1	0	0	0	111.2	H217 R218 H219 R222	D120-H217 PolarHBondContact N-O 3.17Å; D120-R218 IonicContact OD1-NH1 3.79Å; D120-R218 WeakPolarHBondContact OD2-CA 3.29Å; D120-R218 IonicContact OD2-NH1 3.8Å; D120-H219 WeakPolarHBondContact CB-CD2 3.26Å; D120-H219 WeakPolarHBondContact CB-NE2 3.47Å; D120-H219 IonicContact OD2-CD2 3.86Å; D120-H219 IonicContact OD2-CG 3.9Å; D120-H219 PolarHBondContact OD2-N 3.46Å; D120-R222 IonicContact OD1-NE 3.61Å
121	S	89.3	Confident	82.9	Confident	38 Å²	38	46.6 Å²	46.6	27%	0.266	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	173.5	174.1	58.3	0	0	0	0	111.7	H217	S121-H217 PolarHBondContact O-N 3.09Å; S121-H217 WeakPolarHBondContact OG-CB 3.43Å; S121-H217 PolarHBondContact OG-ND1 3.06Å
122	F	91.7	Very high	82.5	Confident	28 Å²	28	50 Å²	50	12%	0.123	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	160	173.6	77.7	-81.5	0	0	0	111.7	Y107 N111 K114 L124 L214 E215 L216	Y107-F122 AromaticContact CD2-CE2 3.8Å; Y107-F122 HydrophobicContact CD2-CE2 3.8Å; Y107-F122 AromaticContact CD2-CZ 3.78Å; Y107-F122 HydrophobicContact CD2-CZ 3.78Å; Y107-F122 HydrophobicContact CE1-CZ 4.22Å; Y107-F122 HydrophobicContact CE2-CE1 4.48Å; Y107-F122 AromaticContact CE2-CE2 3.71Å; Y107-F122 HydrophobicContact CE2-CE2 3.71Å; Y107-F122 AromaticContact CE2-CZ 3.43Å; Y107-F122 HydrophobicContact CE2-CZ 3.43Å; Y107-F122 VanDerWaalsContact CE2-CZ 3.43Å; Y107-F122 HydrophobicContact CG-CZ 4.32Å; Y107-F122 AromaticContact CZ-CZ 3.65Å; N111-F122 HydrophobicContact CB-CE1 4.46Å; N111-F122 VanDerWaalsContact OD1-CE1 3.25Å; N111-F122 WeakPolarHBondContact OD1-CE1 3.31Å; K114-F122 HydrophobicContact CB-CD1 4.24Å; K114-F122 HydrophobicContact CD-CD1 4.02Å; K114-F122 HydrophobicContact CG-CD1 4.37Å; F122-L124 HydrophobicContact CD2-CB 4.47Å; F122-L124 HydrophobicContact CE2-CB 4.22Å; F122-L214 HydrophobicContact CB-CD1 4.08Å; F122-L214 HydrophobicContact CD2-CD1 3.65Å; F122-L214 HydrophobicContact CG-CD1 4.19Å; F122-E215 CarbonylContact C-O 3.59Å; F122-E215 WeakPolarHBondContact CA-O 3.48Å; F122-E215 VanDerWaalsContact CB-O 3.3Å; F122-E215 WeakPolarHBondContact CB-O 3.4Å; F122-L216 HydrophobicContact CB-CD2 3.73Å
123	A	90.6	Very high	82.6	Confident	4 Å²	4	50.2 Å²	50.2	3%	0.033	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	141.4	169.3	0	0	0	0	0	110.1	Y125 L136 E215	A123-Y125 HydrophobicContact CB-CE2 3.63Å; A123-L136 HydrophobicContact CB-CD1 3.92Å; A123-E215 HydrophobicContact CB-CB 4.29Å; A123-E215 PolarHBondContact N-O 3.42Å; A123-E215 PolarHBondContact O-N 3.44Å
124	L	90.8	Very high	82.7	Confident	1 Å²	1	50.3 Å²	50.3	1%	0.005	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	121.1	179.3	-176.9	68.2	0	0	0	109.6	L106 Y107 F122 F126 Y137 A212 I213	L106-L124 HydrophobicContact CB-CD2 3.95Å; Y107-L124 HydrophobicContact CD2-CD2 4.36Å; F122-L124 HydrophobicContact CD2-CB 4.47Å; F122-L124 HydrophobicContact CE2-CB 4.22Å; L124-F126 HydrophobicContact CD2-CE2 3.73Å; L124-F126 HydrophobicContact CD2-CZ 3.86Å; L124-F126 HydrophobicContact CG-CE2 3.89Å; L124-F126 HydrophobicContact CG-CZ 4.24Å; L124-Y137 HydrophobicContact CD2-CD1 4.43Å; L124-Y137 WeakPolarHBondContact O-CB 3.5Å; L124-Y137 PolarHBondContact O-N 2.93Å; L124-A212 HydrophobicContact CD1-CB 4.15Å; L124-I213 WeakPolarHBondContact CA-O 3.47Å
125	Y	90.7	Very high	82.6	Confident	3 Å²	3	48.1 Å²	48.1	1%	0.012	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	142.9	-178.3	-52.5	-93	0	0	0	111.7	A123 L134 C135 L136 A162 Q189 A212 I213 E215	A123-Y125 HydrophobicContact CB-CE2 3.63Å; Y125-L134 HydrophobicContact CD1-CB 4.46Å; Y125-C135 CarbonylContact C-O 3.27Å; Y125-C135 VanDerWaalsContact CA-O 3.32Å; Y125-C135 WeakPolarHBondContact CA-O 3.39Å; Y125-L136 HydrophobicContact CD1-CB 4.03Å; Y125-L136 HydrophobicContact CD1-CD1 4.01Å; Y125-L136 HydrophobicContact CE1-CB 4.02Å; Y125-L136 HydrophobicContact CE1-CD1 3.68Å; Y125-L136 HydrophobicContact CE1-CG 4.4Å; Y125-A162 HydrophobicContact CD2-CB 3.99Å; Y125-A162 HydrophobicContact CE2-CB 3.81Å; Y125-Q189 PolarHBondContact OH-NE2 3.07Å; Y125-A212 CarbonylContact O-C 3.52Å; Y125-A212 WeakPolarHBondContact O-CA 3.48Å; Y125-A212 WeakPolarHBondContact O-CB 3.3Å; Y125-I213 HydrophobicContact CD2-CB 4.37Å; Y125-I213 HydrophobicContact CD2-CG2 4.49Å; Y125-I213 PolarHBondContact N-O 3.39Å; Y125-I213 PolarHBondContact O-N 2.74Å; Y125-E215 HydrophobicContact CE2-CB 4.07Å; Y125-E215 VanDerWaalsContact CE2-OE2 3.31Å; Y125-E215 WeakPolarHBondContact CE2-OE2 3.29Å; Y125-E215 PolarHBondContact OH-OE2 3.34Å
126	F	88.9	Confident	82.8	Confident	15 Å²	15	48.2 Å²	48.2	7%	0.066	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	160.8	171.7	-67.5	-88.6	0	0	0	110.8	K103 L106 L124 C135 Y137 L149 A212	K103-F126 HydrophobicContact CB-CE1 4.36Å; K103-F126 HydrophobicContact CB-CE2 4.05Å; K103-F126 HydrophobicContact CB-CZ 3.76Å; K103-F126 HydrophobicContact CG-CD1 4.34Å; K103-F126 HydrophobicContact CG-CE1 3.87Å; K103-F126 HydrophobicContact CG-CE2 4.14Å; K103-F126 HydrophobicContact CG-CZ 3.76Å; L106-F126 HydrophobicContact CB-CZ 4.27Å; L106-F126 HydrophobicContact CD1-CE1 3.67Å; L106-F126 HydrophobicContact CD1-CZ 3.88Å; L124-F126 HydrophobicContact CD2-CE2 3.73Å; L124-F126 HydrophobicContact CD2-CZ 3.86Å; L124-F126 HydrophobicContact CG-CE2 3.89Å; L124-F126 HydrophobicContact CG-CZ 4.24Å; F126-C135 PolarHBondContact N-O 3.27Å; F126-C135 PolarHBondContact O-N 3.41Å; F126-Y137 HydrophobicContact CD2-CD2 4.35Å; F126-Y137 HydrophobicContact CD2-CG 4.29Å; F126-Y137 HydrophobicContact CE2-CD1 4.5Å; F126-Y137 HydrophobicContact CE2-CD2 4.02Å; F126-Y137 AromaticContact CE2-CG 3.81Å; F126-Y137 HydrophobicContact CE2-CG 3.81Å; F126-L149 HydrophobicContact CB-CD2 4Å; F126-L149 HydrophobicContact CD2-CD2 3.75Å; F126-L149 HydrophobicContact CG-CD2 4.23Å; F126-A212 HydrophobicContact CD1-CB 3.93Å; F126-A212 HydrophobicContact CE1-CB 3.79Å; F126-A212 HydrophobicContact CZ-CB 4.31Å
127	L	84.3	Confident	83.1	Confident	44 Å²	44	47.1 Å²	47.1	23%	0.23	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	138	172.1	-63.5	175.1	0	0	0	110.8	L134 I155 L210	L127-L134 HydrophobicContact CD2-CD2 4.26Å; L127-I155 HydrophobicContact CD2-CD1 3.42Å; L127-I155 VanDerWaalsContact CD2-CD1 3.42Å; L127-L210 HydrophobicContact CD2-CD2 4.21Å
128	G	75	Confident	82.9	Confident	9 Å²	9	50 Å²	50	9%	0.093	27%	0.27	C	S	.	.			trans	-72.3	170.1	168.7	0	0	0	0	0	112.6	C130 N131 S133	G128-C130 PolarHBondContact O-N 2.81Å; G128-N131 PolarHBondContact O-N 3.29Å; G128-S133 PolarHBondContact N-O 3.14Å
129	E	65.8	Low	82.3	Confident	206 Å²	206	45 Å²	45	96%	0.963	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	-25.2	-173.7	-65.8	-176.8	168.2	0	0	114.6
130	C	59.8	Low	81.3	Confident	103 Å²	103	53.8 Å²	53.8	70%	0.696	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.2	8.1	-179.2	-45.9	0	0	0	0	114.1	G128 N132	G128-C130 PolarHBondContact O-N 2.81Å; C130-N132 PolarHBondContact O-N 3.18Å
131	N	65.3	Low	79.5	Confident	108 Å²	108	54 Å²	54	58%	0.578	30%	0.297	S	S	*	.	S	Bend	trans	54.3	8	-177.1	-75.5	-8.4	0	0	0	117.3	G128	G128-N131 PolarHBondContact O-N 3.29Å
132	N	74.1	Confident	77.5	Confident	123 Å²	123	57.8 Å²	57.8	66%	0.658	33%	0.33	S	S	*	.	S	Bend	trans	-107.9	2.7	-178	-78.2	-9.7	0	0	0	114	C130 P154 I155	C130-N132 PolarHBondContact O-N 3.18Å; N132-P154 WeakPolarHBondContact O-CA 3.39Å; N132-I155 PolarHBondContact O-N 2.62Å
133	S	84.6	Confident	75.1	Confident	39 Å²	39	65.7 Å²	65.7	27%	0.273	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	149.9	-178.9	62.4	0	0	0	0	111.7	G128 G153	G128-S133 PolarHBondContact N-O 3.14Å; S133-G153 CarbonylContact C-O 3.48Å; S133-G153 VanDerWaalsContact CA-O 3.27Å; S133-G153 WeakPolarHBondContact CA-O 3.45Å; S133-G153 WeakPolarHBondContact CB-O 3.46Å
134	L	86.8	Confident	73.1	Confident	4 Å²	4	74.2 Å²	74.2	2%	0.021	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	141.8	170.5	-65.7	177.3	0	0	0	110.3	Y125 L127 S152 G153 I155 A162 A163 A166 I213	Y125-L134 HydrophobicContact CD1-CB 4.46Å; L127-L134 HydrophobicContact CD2-CD2 4.26Å; L134-S152 WeakPolarHBondContact O-CA 3.3Å; L134-S152 WeakPolarHBondContact O-CB 3.46Å; L134-S152 PolarHBondContact O-N 2.89Å; L134-G153 PolarHBondContact N-O 3.32Å; L134-G153 PolarHBondContact O-N 3.27Å; L134-I155 HydrophobicContact CD2-CD1 4.11Å; L134-I155 HydrophobicContact CD2-CG1 4.12Å; L134-I155 HydrophobicContact CG-CD1 4.36Å; L134-I155 HydrophobicContact CG-CG1 3.85Å; L134-A162 HydrophobicContact CD1-CB 3.95Å; L134-A163 HydrophobicContact CD1-CB 4.36Å; L134-A166 HydrophobicContact CD1-CB 4.27Å; L134-A166 HydrophobicContact CD2-CB 4.12Å; L134-I213 HydrophobicContact CD1-CD1 3.91Å; L134-I213 HydrophobicContact CD2-CD1 3.57Å; L134-I213 HydrophobicContact CG-CD1 4.41Å
135	C	86.4	Confident	71.1	Confident	12 Å²	12	76 Å²	76	8%	0.081	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	123.9	171.8	-60	0	0	0	0	109.4	Y125 F126 L149 V150	Y125-C135 CarbonylContact C-O 3.27Å; Y125-C135 VanDerWaalsContact CA-O 3.32Å; Y125-C135 WeakPolarHBondContact CA-O 3.39Å; F126-C135 PolarHBondContact N-O 3.27Å; F126-C135 PolarHBondContact O-N 3.41Å; C135-L149 HydrophobicContact CB-CB 3.83Å; C135-L149 HydrophobicContact CB-CD2 4.13Å; C135-L149 HydrophobicContact CB-CG 4.4Å; C135-V150 CarbonylContact C-O 3.57Å; C135-V150 WeakPolarHBondContact CA-O 3.22Å
136	L	87.1	Confident	69.3	Low	45 Å²	45	86.8 Å²	86.8	24%	0.236	47%	0.468	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	133.5	174.1	-179.4	66.7	0	0	0	109.7	A123 Y125 L149 V150	A123-L136 HydrophobicContact CB-CD1 3.92Å; Y125-L136 HydrophobicContact CD1-CB 4.03Å; Y125-L136 HydrophobicContact CD1-CD1 4.01Å; Y125-L136 HydrophobicContact CE1-CB 4.02Å; Y125-L136 HydrophobicContact CE1-CD1 3.68Å; Y125-L136 HydrophobicContact CE1-CG 4.4Å; L136-L149 WeakPolarHBondContact O-CA 3.28Å; L136-V150 PolarHBondContact N-O 3.47Å; L136-V150 PolarHBondContact O-N 3.06Å
137	Y	86.9	Confident	68	Low	12 Å²	12	88.3 Å²	88.3	5%	0.047	48%	0.48	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	125.7	176	-177.1	-103.1	0	0	0	111.3	K103 Y107 L124 F126 P139 P147 L149	K103-Y137 HydrophobicContact CB-CD2 4.11Å; K103-Y137 HydrophobicContact CB-CE2 3.63Å; K103-Y137 HydrophobicContact CD-CD2 4.44Å; K103-Y137 HydrophobicContact CD-CE2 4.28Å; Y107-Y137 AromaticContact CD2-CD1 3.63Å; Y107-Y137 HydrophobicContact CD2-CD1 3.63Å; Y107-Y137 AromaticContact CD2-CE1 3.95Å; Y107-Y137 HydrophobicContact CD2-CE1 3.95Å; Y107-Y137 HydrophobicContact CE2-CD1 4.46Å; Y107-Y137 AromaticContact CG-CD1 3.99Å; Y107-Y137 HydrophobicContact CG-CD1 3.99Å; Y107-Y137 AromaticContact CG-CE1 3.83Å; Y107-Y137 HydrophobicContact CG-CE1 3.83Å; L124-Y137 HydrophobicContact CD2-CD1 4.43Å; L124-Y137 WeakPolarHBondContact O-CB 3.5Å; L124-Y137 PolarHBondContact O-N 2.93Å; F126-Y137 HydrophobicContact CD2-CD2 4.35Å; F126-Y137 HydrophobicContact CD2-CG 4.29Å; F126-Y137 HydrophobicContact CE2-CD1 4.5Å; F126-Y137 HydrophobicContact CE2-CD2 4.02Å; F126-Y137 AromaticContact CE2-CG 3.81Å; F126-Y137 HydrophobicContact CE2-CG 3.81Å; Y137-P139 HydrophobicContact CE1-CB 4.38Å; Y137-P147 HydrophobicContact CE2-CB 4.49Å; Y137-L149 HydrophobicContact CD2-CD2 3.95Å
138	T	80.2	Confident	67.4	Low	60 Å²	60	89 Å²	89	37%	0.368	49%	0.489	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	118.4	174.4	-44.6	0	0	0	0	109.7	S148	T138-S148 PolarHBondContact N-O 3.28Å; T138-S148 VanDerWaalsContact N-O 3.15Å; T138-S148 PolarHBondContact O-N 2.91Å
139	P	71.8	Confident	67.6	Low	36 Å²	36	91.4 Å²	91.4	23%	0.234	50%	0.499	C	S	.	.			trans	-71	169.8	177.2	36.9	-43.1	0	0	0	111.1	Y107 Y137 G141	Y107-P139 HydrophobicContact CD1-CB 4.07Å; Y107-P139 HydrophobicContact CD1-CG 4.26Å; Y107-P139 HydrophobicContact CE1-CB 3.83Å; Y107-P139 HydrophobicContact CE1-CG 3.56Å; Y107-P139 HydrophobicContact CE2-CG 3.96Å; Y107-P139 WeakPolarHBondContact OH-CG 3.07Å; Y137-P139 HydrophobicContact CE1-CB 4.38Å; P139-G141 PolarHBondContact O-N 3.11Å; P139-G141 VanDerWaalsContact O-N 3.14Å
140	R	66.6	Low	68.3	Low	194 Å²	194	84.9 Å²	84.9	73%	0.732	47%	0.473	S	S	*	.			trans	-62.2	114.1	174.4	-67.6	-177	-177.3	-175.4	-0.8	110.6	P147	R140-P147 HydrophobicContact CG-CB 4.38Å; R140-P147 HydrophobicContact CG-CG 4.12Å
141	G	53.8	Low	69.3	Low	50 Å²	50	85 Å²	85	52%	0.515	47%	0.473	S	S	.	.			trans	-86.3	159.8	168.4	0	0	0	0	0	112.2	P139 K143	P139-G141 PolarHBondContact O-N 3.11Å; P139-G141 VanDerWaalsContact O-N 3.14Å; G141-K143 PolarHBondContact O-N 2.97Å
142	A	45.6	Very low	69.9	Low	117 Å²	117	82.5 Å²	82.5	97%	0.967	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	11.5	-179.6	0	0	0	0	0	116.1
143	K	42.6	Very low	70.2	Confident	194 Å²	194	78.1 Å²	78.1	84%	0.843	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-131.9	95.6	169.5	-70	-171.9	177	-177.6	0	108.4	G141 G145	G141-K143 PolarHBondContact O-N 2.97Å; K143-G145 PolarHBondContact O-N 3.48Å
144	D	47.1	Very low	70	Confident	183 Å²	183	80.1 Å²	80.1	98%	0.979	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	27.4	52.9	161.4	-67.4	-29.1	0	0	0	119.2
145	G	49.6	Very low	69.9	Low	38 Å²	38	81.4 Å²	81.4	39%	0.392	47%	0.466	S	S	.	.			trans	-115.5	125.4	169.7	0	0	0	0	0	112.1	K143	K143-G145 PolarHBondContact O-N 3.48Å
146	R	53.7	Low	69.5	Low	230 Å²	230	83 Å²	83	87%	0.868	48%	0.477	S	S	*	.			trans	-61.5	143.2	163.3	-71.5	-178.6	-179	178.9	0.4	108.5	S148	R146-S148 PolarHBondContact O-N 3.33Å
147	P	62	Low	69.1	Low	48 Å²	48	87.6 Å²	87.6	31%	0.312	49%	0.492	S	S	.	.			trans	-58.5	127.8	173.3	21.1	-22.4	0	0	0	107.7	Y137 R140	Y137-P147 HydrophobicContact CE2-CB 4.49Å; R140-P147 HydrophobicContact CG-CB 4.38Å; R140-P147 HydrophobicContact CG-CG 4.12Å
148	S	70.9	Confident	68.5	Low	59 Å²	59	89.2 Å²	89.2	41%	0.413	51%	0.512	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	146	-172.1	62.4	0	0	0	0	110.8	T138 R146	T138-S148 PolarHBondContact N-O 3.28Å; T138-S148 VanDerWaalsContact N-O 3.15Å; T138-S148 PolarHBondContact O-N 2.91Å; R146-S148 PolarHBondContact O-N 3.33Å
149	L	79.1	Confident	68.6	Low	58 Å²	58	87.9 Å²	87.9	30%	0.304	50%	0.504	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	112.7	170	-76.6	177.9	0	0	0	107.1	F126 C135 L136 Y137	F126-L149 HydrophobicContact CB-CD2 4Å; F126-L149 HydrophobicContact CD2-CD2 3.75Å; F126-L149 HydrophobicContact CG-CD2 4.23Å; C135-L149 HydrophobicContact CB-CB 3.83Å; C135-L149 HydrophobicContact CB-CD2 4.13Å; C135-L149 HydrophobicContact CB-CG 4.4Å; L136-L149 WeakPolarHBondContact O-CA 3.28Å; Y137-L149 HydrophobicContact CD2-CD2 3.95Å
150	V	81.3	Confident	69.4	Low	69 Å²	69	87 Å²	87	42%	0.418	50%	0.498	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	121.6	179.8	-176.9	0	0	0	0	108.4	C135 L136 S152	C135-V150 CarbonylContact C-O 3.57Å; C135-V150 WeakPolarHBondContact CA-O 3.22Å; L136-V150 PolarHBondContact N-O 3.47Å; L136-V150 PolarHBondContact O-N 3.06Å; V150-S152 PolarHBondContact O-N 2.99Å
151	P	80.8	Confident	70.6	Confident	106 Å²	106	77.8 Å²	77.8	69%	0.688	46%	0.464	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-56.4	126.6	177.9	-25	34.4	0	0	0	111.7
152	S	77.8	Confident	72.3	Confident	56 Å²	56	75.4 Å²	75.4	39%	0.392	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	-18.1	-176.5	-169	0	0	0	0	113.3	L134 V150	L134-S152 WeakPolarHBondContact O-CA 3.3Å; L134-S152 WeakPolarHBondContact O-CB 3.46Å; L134-S152 PolarHBondContact O-N 2.89Å; V150-S152 PolarHBondContact O-N 2.99Å
153	G	79.2	Confident	74.4	Confident	30 Å²	30	69.9 Å²	69.9	31%	0.309	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	136.2	174	177.8	0	0	0	0	0	114.1	S133 L134	S133-G153 CarbonylContact C-O 3.48Å; S133-G153 VanDerWaalsContact CA-O 3.27Å; S133-G153 WeakPolarHBondContact CA-O 3.45Å; S133-G153 WeakPolarHBondContact CB-O 3.46Å; L134-G153 PolarHBondContact N-O 3.32Å; L134-G153 PolarHBondContact O-N 3.27Å
154	P	81.4	Confident	76.6	Confident	82 Å²	82	63.4 Å²	63.4	53%	0.532	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	156.4	179.4	31.6	-35	0	0	0	113	N132 S156	N132-P154 WeakPolarHBondContact O-CA 3.39Å; P154-S156 PolarHBondContact O-N 3.22Å
155	I	83.2	Confident	78.8	Confident	31 Å²	31	54.7 Å²	54.7	16%	0.159	32%	0.317	C	S	.	.			trans	-84.5	90.4	175	-62.6	166	0	0	0	109.7	L127 N132 L134 A166 K167	L127-I155 HydrophobicContact CD2-CD1 3.42Å; L127-I155 VanDerWaalsContact CD2-CD1 3.42Å; N132-I155 PolarHBondContact O-N 2.62Å; L134-I155 HydrophobicContact CD2-CD1 4.11Å; L134-I155 HydrophobicContact CD2-CG1 4.12Å; L134-I155 HydrophobicContact CG-CD1 4.36Å; L134-I155 HydrophobicContact CG-CG1 3.85Å; I155-A166 HydrophobicContact CB-CB 4.49Å; I155-A166 HydrophobicContact CD1-CB 4.18Å; I155-A166 HydrophobicContact CG1-CB 4.01Å; I155-A166 HydrophobicContact CG2-CB 3.69Å; I155-K167 HydrophobicContact CG2-CB 3.94Å; I155-K167 HydrophobicContact CG2-CD 4.13Å
156	S	79.4	Confident	80.7	Confident	44 Å²	44	53.1 Å²	53.1	31%	0.308	30%	0.301	S	S	.	.			trans	-142	154.5	-178.3	50.5	0	0	0	0	113.6	P154 T159	P154-S156 PolarHBondContact O-N 3.22Å; S156-T159 PolarHBondContact O-OG1 3.21Å
157	Y	78.8	Confident	82.4	Confident	143 Å²	143	47.6 Å²	47.6	56%	0.561	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	150.9	172.1	-69	-70.7	0	0	0	111.5	Y164 K167 T168	Y157-Y164 AromaticContact CD1-CD2 3.56Å; Y157-Y164 HydrophobicContact CD1-CD2 3.56Å; Y157-Y164 AromaticContact CD1-CE2 3.58Å; Y157-Y164 HydrophobicContact CD1-CE2 3.58Å; Y157-Y164 AromaticContact CE1-CD2 3.83Å; Y157-Y164 HydrophobicContact CE1-CD2 3.83Å; Y157-Y164 AromaticContact CE1-CE2 3.57Å; Y157-Y164 HydrophobicContact CE1-CE2 3.57Å; Y157-K167 HydrophobicContact CE1-CG 4.36Å; Y157-K167 HydrophobicContact CE2-CG 3.88Å; Y157-T168 HydrophobicContact CE1-CG2 3.96Å
158	G	74.4	Confident	83.7	Confident	45 Å²	45	47 Å²	47	46%	0.464	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.4	29.7	175.3	0	0	0	0	0	114.7	P184	G158-P184 VanDerWaalsContact O-CG 3.24Å; G158-P184 WeakPolarHBondContact O-CG 3.43Å
159	T	82	Confident	84.6	Confident	32 Å²	32	50 Å²	50	20%	0.196	28%	0.281	C	S	.	.	S	Bend	trans	-122.4	-115.4	174.5	57.6	0	0	0	0	109.4	S156 A163 D185	S156-T159 PolarHBondContact O-OG1 3.21Å; T159-A163 VanDerWaalsContact OG1-CB 3.29Å; T159-A163 WeakPolarHBondContact OG1-CB 3.48Å; T159-D185 WeakPolarHBondContact CA-OD2 3.47Å; T159-D185 PolarHBondContact O-N 3.39Å
160	T	89.2	Confident	85.2	Confident	19 Å²	19	54.6 Å²	54.6	12%	0.117	30%	0.298	C	S	.	.			trans	-93	160.4	177.3	66.8	0	0	0	0	112.4	A162 A163 Y164 D185 G186	T160-A162 VanDerWaalsContact C-N 3.28Å; T160-A162 PolarHBondContact O-N 3.31Å; T160-A163 PolarHBondContact O-N 2.96Å; T160-A163 PolarHBondContact OG1-N 3.48Å; T160-Y164 PolarHBondContact O-N 3.1Å; T160-Y164 VanDerWaalsContact O-N 3.13Å; T160-D185 HydrophobicContact CG2-CB 3.97Å; T160-G186 WeakPolarHBondContact CA-O 3.42Å
161	I	90	Very high	85.7	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-58.6	-38	172.9	-170.3	171.4	0	0	0	112.4	A163 Y164 V165 L172 V174 I177 F183 G186 V198 C200 E215	I161-A163 PolarHBondContact O-N 3.1Å; I161-Y164 PolarHBondContact O-N 3.33Å; I161-V165 HydrophobicContact CG1-CG2 4.45Å; I161-V165 WeakPolarHBondContact O-CG2 3.37Å; I161-V165 PolarHBondContact O-N 3.49Å; I161-L172 HydrophobicContact CD1-CD2 4Å; I161-L172 HydrophobicContact CG1-CD2 4.05Å; I161-V174 HydrophobicContact CD1-CB 4.33Å; I161-V174 HydrophobicContact CD1-CG2 3.61Å; I161-I177 HydrophobicContact CB-CD1 4.21Å; I161-I177 HydrophobicContact CD1-CD1 4.04Å; I161-I177 HydrophobicContact CG2-CD1 4.49Å; I161-F183 HydrophobicContact CB-CD1 4.07Å; I161-F183 HydrophobicContact CB-CD2 4.48Å; I161-F183 HydrophobicContact CB-CE1 4.41Å; I161-F183 HydrophobicContact CB-CG 4.14Å; I161-F183 HydrophobicContact CG1-CD1 4.46Å; I161-F183 HydrophobicContact CG1-CE1 4.33Å; I161-F183 HydrophobicContact CG1-CE2 4.43Å; I161-F183 HydrophobicContact CG1-CZ 4.33Å; I161-G186 PolarHBondContact N-O 3.13Å; I161-V198 HydrophobicContact CD1-CB 4.14Å; I161-V198 HydrophobicContact CD1-CG1 3.87Å; I161-V198 HydrophobicContact CG2-CG1 4.13Å; I161-C200 HydrophobicContact CD1-CB 3.93Å; I161-C200 HydrophobicContact CG1-CB 3.93Å; I161-E215 HydrophobicContact CG2-CG 4.34Å
162	A	89.9	Confident	86.3	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-62	-43.6	176.6	0	0	0	0	0	112.3	Y125 L134 T160 Y164 V165 A166 I213	Y125-A162 HydrophobicContact CD2-CB 3.99Å; Y125-A162 HydrophobicContact CE2-CB 3.81Å; L134-A162 HydrophobicContact CD1-CB 3.95Å; T160-A162 VanDerWaalsContact C-N 3.28Å; T160-A162 PolarHBondContact O-N 3.31Å; A162-Y164 VanDerWaalsContact C-N 3.34Å; A162-Y164 PolarHBondContact O-N 3.26Å; A162-V165 PolarHBondContact O-N 3.09Å; A162-A166 WeakPolarHBondContact O-CB 3.37Å; A162-A166 PolarHBondContact O-N 3.18Å; A162-I213 HydrophobicContact CB-CG2 4.34Å; A162-I213 VanDerWaalsContact O-CD1 3.3Å; A162-I213 WeakPolarHBondContact O-CD1 3.13Å
163	A	89.6	Confident	87	Confident	1 Å²	1	48.8 Å²	48.8	1%	0.008	26%	0.256	C	S	.	.	H	α-helix	trans	-65	-38	176.9	0	0	0	0	0	112.1	L134 T159 T160 I161 A166 K167	L134-A163 HydrophobicContact CD1-CB 4.36Å; T159-A163 VanDerWaalsContact OG1-CB 3.29Å; T159-A163 WeakPolarHBondContact OG1-CB 3.48Å; T160-A163 PolarHBondContact O-N 2.96Å; T160-A163 PolarHBondContact OG1-N 3.48Å; I161-A163 PolarHBondContact O-N 3.1Å; A163-A166 WeakPolarHBondContact O-CB 3.3Å; A163-A166 PolarHBondContact O-N 2.82Å; A163-K167 WeakPolarHBondContact O-CB 3.42Å; A163-K167 PolarHBondContact O-N 3.14Å
164	Y	90.4	Very high	87.7	Confident	57 Å²	57	47.6 Å²	47.6	22%	0.224	24%	0.243	C	C	.	.	H	α-helix	trans	-64.5	-45	174.9	-175.3	-86.9	0	0	0	112.3	Y157 T160 I161 A162 K167 T168 L172 F183	Y157-Y164 AromaticContact CD1-CD2 3.56Å; Y157-Y164 HydrophobicContact CD1-CD2 3.56Å; Y157-Y164 AromaticContact CD1-CE2 3.58Å; Y157-Y164 HydrophobicContact CD1-CE2 3.58Å; Y157-Y164 AromaticContact CE1-CD2 3.83Å; Y157-Y164 HydrophobicContact CE1-CD2 3.83Å; Y157-Y164 AromaticContact CE1-CE2 3.57Å; Y157-Y164 HydrophobicContact CE1-CE2 3.57Å; T160-Y164 PolarHBondContact O-N 3.1Å; T160-Y164 VanDerWaalsContact O-N 3.13Å; I161-Y164 PolarHBondContact O-N 3.33Å; A162-Y164 VanDerWaalsContact C-N 3.34Å; A162-Y164 PolarHBondContact O-N 3.26Å; Y164-K167 PolarHBondContact O-N 3.13Å; Y164-T168 HydrophobicContact CD1-CG2 4.06Å; Y164-T168 HydrophobicContact CE1-CG2 3.65Å; Y164-T168 HydrophobicContact CE2-CG2 4.26Å; Y164-T168 WeakPolarHBondContact O-CB 3.48Å; Y164-T168 WeakPolarHBondContact O-CG2 3.35Å; Y164-T168 PolarHBondContact O-N 3.07Å; Y164-T168 PolarHBondContact O-OG1 3.3Å; Y164-L172 HydrophobicContact CD1-CD2 4.42Å; Y164-F183 AromaticContact CD1-CE1 4Å; Y164-F183 HydrophobicContact CD1-CE1 4Å; Y164-F183 HydrophobicContact CD1-CZ 4.27Å; Y164-F183 AromaticContact CD2-CE1 3.94Å; Y164-F183 HydrophobicContact CD2-CE1 3.94Å; Y164-F183 AromaticContact CG-CE1 3.59Å; Y164-F183 HydrophobicContact CG-CE1 3.59Å; Y164-F183 HydrophobicContact CG-CZ 4.28Å
165	V	91.9	Very high	88	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-66.6	-37.7	176.7	170.4	0	0	0	0	111	I161 A162 K167 T168 R169 L172 C200 P202 I213	I161-V165 HydrophobicContact CG1-CG2 4.45Å; I161-V165 WeakPolarHBondContact O-CG2 3.37Å; I161-V165 PolarHBondContact O-N 3.49Å; A162-V165 PolarHBondContact O-N 3.09Å; V165-K167 VanDerWaalsContact C-N 3.29Å; V165-K167 PolarHBondContact O-N 3.02Å; V165-T168 PolarHBondContact O-N 3.4Å; V165-R169 VanDerWaalsContact O-CA 3.29Å; V165-R169 WeakPolarHBondContact O-CA 2.89Å; V165-R169 PolarHBondContact O-N 2.94Å; V165-L172 HydrophobicContact CG2-CB 3.95Å; V165-C200 HydrophobicContact CG2-CB 3.87Å; V165-P202 HydrophobicContact CG1-CB 3.99Å; V165-P202 HydrophobicContact CG1-CG 4.11Å; V165-I213 HydrophobicContact CG1-CG2 4.33Å
166	A	89.8	Confident	88.2	Confident	6 Å²	6	51.3 Å²	51.3	5%	0.05	26%	0.255	C	S	.	.	H	α-helix	trans	-56.6	-44.4	172.5	0	0	0	0	0	111.8	L134 I155 A162 A163 L210 I213	L134-A166 HydrophobicContact CD1-CB 4.27Å; L134-A166 HydrophobicContact CD2-CB 4.12Å; I155-A166 HydrophobicContact CB-CB 4.49Å; I155-A166 HydrophobicContact CD1-CB 4.18Å; I155-A166 HydrophobicContact CG1-CB 4.01Å; I155-A166 HydrophobicContact CG2-CB 3.69Å; A162-A166 WeakPolarHBondContact O-CB 3.37Å; A162-A166 PolarHBondContact O-N 3.18Å; A163-A166 WeakPolarHBondContact O-CB 3.3Å; A163-A166 PolarHBondContact O-N 2.82Å; A166-L210 HydrophobicContact CB-CD2 4.04Å; A166-I213 HydrophobicContact CB-CD1 3.29Å
167	K	88.4	Confident	88.5	Confident	114 Å²	114	49.4 Å²	49.4	50%	0.496	24%	0.241	S	C	.	.	H	α-helix	trans	-74	-43.4	-176.8	-170.2	67.9	178.5	-173.7	0	112.4	I155 Y157 A163 Y164 V165	I155-K167 HydrophobicContact CG2-CB 3.94Å; I155-K167 HydrophobicContact CG2-CD 4.13Å; Y157-K167 HydrophobicContact CE1-CG 4.36Å; Y157-K167 HydrophobicContact CE2-CG 3.88Å; A163-K167 WeakPolarHBondContact O-CB 3.42Å; A163-K167 PolarHBondContact O-N 3.14Å; Y164-K167 PolarHBondContact O-N 3.13Å; V165-K167 VanDerWaalsContact C-N 3.29Å; V165-K167 PolarHBondContact O-N 3.02Å
168	T	90.5	Very high	88.6	Confident	34 Å²	34	49.3 Å²	49.3	21%	0.209	25%	0.247	C	C	.	.	H	α-helix	trans	-86.2	-20.7	-175.2	57.1	0	0	0	0	113.6	Y157 Y164 V165 K170	Y157-T168 HydrophobicContact CE1-CG2 3.96Å; Y164-T168 HydrophobicContact CD1-CG2 4.06Å; Y164-T168 HydrophobicContact CE1-CG2 3.65Å; Y164-T168 HydrophobicContact CE2-CG2 4.26Å; Y164-T168 WeakPolarHBondContact O-CB 3.48Å; Y164-T168 WeakPolarHBondContact O-CG2 3.35Å; Y164-T168 PolarHBondContact O-N 3.07Å; Y164-T168 PolarHBondContact O-OG1 3.3Å; V165-T168 PolarHBondContact O-N 3.4Å; T168-K170 PolarHBondContact O-N 3.33Å
169	R	90.4	Very high	88.9	Confident	123 Å²	123	49.8 Å²	49.8	46%	0.464	25%	0.252	S	S	.	.			trans	55	28.4	-173.3	-54.1	-175.6	-174.6	-176.9	3.2	113.1	V165 L204 G208	V165-R169 VanDerWaalsContact O-CA 3.29Å; V165-R169 WeakPolarHBondContact O-CA 2.89Å; V165-R169 PolarHBondContact O-N 2.94Å; R169-L204 HydrophobicContact CB-CD1 4.36Å; R169-L204 HydrophobicContact CB-CD2 4.23Å; R169-L204 HydrophobicContact CG-CD2 4.4Å; R169-G208 PolarHBondContact NH1-O 2.92Å
170	K	90.5	Very high	89	Confident	154 Å²	154	49.7 Å²	49.7	67%	0.67	25%	0.25	S	S	*	.			trans	-117.2	135.1	179.2	-70	-177.4	-178.7	-176.4	0	110.4	T168	T168-K170 PolarHBondContact O-N 3.33Å
171	T	92.3	Very high	88.8	Confident	40 Å²	40	57.8 Å²	57.8	25%	0.245	29%	0.287	C	S	.	.			trans	-59	136.4	170	-57.6	0	0	0	0	110	L199 C200 L201 Q230	T171-L199 HydrophobicContact CG2-CD1 4.04Å; T171-C200 WeakPolarHBondContact CA-O 3.34Å; T171-L201 HydrophobicContact CG2-CD2 3.94Å; T171-L201 HydrophobicContact CG2-CG 3.91Å; T171-Q230 HydrophobicContact CG2-CG 3.97Å
172	L	93.5	Very high	88.5	Confident	28 Å²	28	63.1 Å²	63.1	15%	0.147	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	130.1	178.3	-162.3	74.2	0	0	0	110.9	I161 Y164 V165 V174 F183 C200	I161-L172 HydrophobicContact CD1-CD2 4Å; I161-L172 HydrophobicContact CG1-CD2 4.05Å; Y164-L172 HydrophobicContact CD1-CD2 4.42Å; V165-L172 HydrophobicContact CG2-CB 3.95Å; L172-V174 HydrophobicContact CD2-CG2 3.64Å; L172-V174 HydrophobicContact CG-CG2 3.9Å; L172-F183 HydrophobicContact CD2-CE1 4.2Å; L172-F183 HydrophobicContact CD2-CE2 3.59Å; L172-F183 HydrophobicContact CD2-CZ 3.2Å; L172-C200 PolarHBondContact N-O 2.73Å; L172-C200 PolarHBondContact O-N 2.98Å
173	L	93.2	Very high	88.4	Confident	41 Å²	41	63.3 Å²	63.3	22%	0.215	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	122.1	170.7	171.6	62.2	0	0	0	108.1	L199 F225	L173-L199 HydrophobicContact CB-CD1 4.23Å; L173-L199 HydrophobicContact CD1-CD1 4.4Å; L173-F225 HydrophobicContact CD1-CB 3.32Å; L173-F225 HydrophobicContact CD1-CG 4.48Å
174	V	92.1	Very high	88	Confident	6 Å²	6	67.5 Å²	67.5	4%	0.036	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	118.5	177.7	-174.9	0	0	0	0	108.2	I161 L172 I177 D180 F183 S197 V198	I161-V174 HydrophobicContact CD1-CB 4.33Å; I161-V174 HydrophobicContact CD1-CG2 3.61Å; L172-V174 HydrophobicContact CD2-CG2 3.64Å; L172-V174 HydrophobicContact CG-CG2 3.9Å; V174-I177 HydrophobicContact CB-CD1 4.34Å; V174-I177 HydrophobicContact CG1-CB 4.31Å; V174-I177 HydrophobicContact CG1-CD1 4.03Å; V174-D180 HydrophobicContact CG1-CB 4.14Å; V174-F183 HydrophobicContact CG2-CD2 4.47Å; V174-F183 HydrophobicContact CG2-CE2 3.87Å; V174-S197 CarbonylContact O-C 3.56Å; V174-S197 VanDerWaalsContact O-CA 3.29Å; V174-S197 WeakPolarHBondContact O-CA 3.45Å; V174-S197 PolarHBondContact O-OG 3.46Å; V174-V198 PolarHBondContact N-O 3.14Å; V174-V198 PolarHBondContact O-N 3.17Å
175	E	87.9	Confident	87.5	Confident	124 Å²	124	69.4 Å²	69.4	58%	0.579	35%	0.349	S	S	*	.	S	Bend	trans	-76.5	-36.6	-178.4	-67.7	-178.5	178.4	0	0	111.9	H196 S197 P224	E175-H196 CarbonylContact O-C 3.55Å; E175-H196 VanDerWaalsContact O-O 3.1Å; E175-S197 WeakPolarHBondContact O-CA 3.39Å; E175-S197 VanDerWaalsContact O-CB 3.29Å; E175-S197 WeakPolarHBondContact O-CB 3.49Å; E175-P224 HydrophobicContact CB-CB 4.26Å; E175-P224 HydrophobicContact CG-CB 4.29Å
176	D	87.4	Confident	87.2	Confident	67 Å²	67	69.8 Å²	69.8	36%	0.358	35%	0.352	S	S	.	.			trans	-131.9	96.5	174.5	-173	14.7	0	0	0	111	M178 H196	D176-M178 VanDerWaalsContact C-N 3.29Å; D176-M178 PolarHBondContact O-N 3.48Å; D176-M178 PolarHBondContact OD1-N 2.75Å; D176-H196 CarbonylContact C-O 3.55Å; D176-H196 VanDerWaalsContact CA-O 3.24Å; D176-H196 WeakPolarHBondContact CA-O 3.5Å; D176-H196 IonicContact OD1-CE1 3.62Å; D176-H196 IonicContact OD1-ND1 3.22Å; D176-H196 PolarHBondContact OD1-ND1 3.28Å
177	I	87	Confident	86.8	Confident	3 Å²	3	70.1 Å²	70.1	2%	0.015	35%	0.354	C	S	.	.	S	Bend	trans	-70	-27	-177.2	-167.9	60.5	0	0	0	112.5	I161 V174 G179 F183 T187 V195 H196 V198	I161-I177 HydrophobicContact CB-CD1 4.21Å; I161-I177 HydrophobicContact CD1-CD1 4.04Å; I161-I177 HydrophobicContact CG2-CD1 4.49Å; V174-I177 HydrophobicContact CB-CD1 4.34Å; V174-I177 HydrophobicContact CG1-CB 4.31Å; V174-I177 HydrophobicContact CG1-CD1 4.03Å; I177-G179 VanDerWaalsContact C-N 3.35Å; I177-F183 HydrophobicContact CD1-CB 4.04Å; I177-F183 HydrophobicContact CD1-CD2 3.63Å; I177-F183 HydrophobicContact CD1-CG 4.08Å; I177-T187 HydrophobicContact CG1-CG2 4.4Å; I177-V195 HydrophobicContact CG2-CG1 4.33Å; I177-V195 WeakPolarHBondContact CG2-O 3.38Å; I177-H196 PolarHBondContact N-O 2.98Å; I177-V198 HydrophobicContact CB-CG2 3.9Å; I177-V198 HydrophobicContact CD1-CG2 4.48Å; I177-V198 HydrophobicContact CG1-CG2 3.98Å; I177-V198 HydrophobicContact CG2-CG2 4.03Å
178	M	80.8	Confident	86.2	Confident	141 Å²	141	67.2 Å²	67.2	70%	0.695	36%	0.357	S	S	*	.	S	Bend	trans	-78	-23.5	-177.6	-63.2	-60.7	-63.6	0	0	112.3	D176	D176-M178 VanDerWaalsContact C-N 3.29Å; D176-M178 PolarHBondContact O-N 3.48Å; D176-M178 PolarHBondContact OD1-N 2.75Å
179	G	79.7	Confident	85.2	Confident	55 Å²	55	68.7 Å²	68.7	57%	0.567	36%	0.361	S	S	*	.	S	Bend	trans	-96.2	-3	177.7	0	0	0	0	0	114.7	I177 E181	I177-G179 VanDerWaalsContact C-N 3.35Å; G179-E181 PolarHBondContact O-N 3.45Å
180	D	84.7	Confident	83.8	Confident	30 Å²	30	71.3 Å²	71.3	16%	0.16	38%	0.384	C	S	.	.			trans	-90.9	103.4	-175.4	-164.2	-34.4	0	0	0	111.4	V174 R182 F183	V174-D180 HydrophobicContact CG1-CB 4.14Å; D180-R182 PolarHBondContact O-N 3.42Å; D180-R182 WeakPolarHBondContact OD1-CB 3.46Å; D180-R182 VanDerWaalsContact OD1-CG 3.28Å; D180-R182 WeakPolarHBondContact OD1-CG 3.3Å; D180-R182 IonicContact OD1-CZ 3.65Å; D180-R182 PolarHBondContact OD1-N 3.28Å; D180-R182 VanDerWaalsContact OD1-N 3.09Å; D180-R182 IonicContact OD1-NE 2.95Å; D180-R182 PolarHBondContact OD1-NE 3.02Å; D180-R182 IonicContact OD1-NH2 2.81Å; D180-R182 IonicContact OD2-CZ 2.84Å; D180-R182 IonicContact OD2-NE 3.65Å; D180-R182 PolarHBondContact OD2-NE 3.2Å; D180-R182 IonicContact OD2-NH2 3.45Å; D180-R182 PolarHBondContact OD2-NH2 3.1Å; D180-F183 HydrophobicContact CB-CD2 3.96Å; D180-F183 HydrophobicContact CB-CE2 4.43Å; D180-F183 PolarHBondContact O-N 2.94Å; D180-F183 WeakPolarHBondContact OD2-CE2 3.46Å
181	E	84	Confident	82.2	Confident	189 Å²	189	67.1 Å²	67.1	88%	0.883	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-16.5	-178.9	-63.6	-174.4	168.3	0	0	114	G179 F183	G179-E181 PolarHBondContact O-N 3.45Å; E181-F183 PolarHBondContact O-N 2.74Å
182	R	84.9	Confident	80.6	Confident	113 Å²	113	68.8 Å²	68.8	43%	0.426	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-21.3	176.6	-59.6	177	-67.7	176.3	-0.5	112.7	D180	D180-R182 PolarHBondContact O-N 3.42Å; D180-R182 WeakPolarHBondContact OD1-CB 3.46Å; D180-R182 VanDerWaalsContact OD1-CG 3.28Å; D180-R182 WeakPolarHBondContact OD1-CG 3.3Å; D180-R182 IonicContact OD1-CZ 3.65Å; D180-R182 PolarHBondContact OD1-N 3.28Å; D180-R182 VanDerWaalsContact OD1-N 3.09Å; D180-R182 IonicContact OD1-NE 2.95Å; D180-R182 PolarHBondContact OD1-NE 3.02Å; D180-R182 IonicContact OD1-NH2 2.81Å; D180-R182 IonicContact OD2-CZ 2.84Å; D180-R182 IonicContact OD2-NE 3.65Å; D180-R182 PolarHBondContact OD2-NE 3.2Å; D180-R182 IonicContact OD2-NH2 3.45Å; D180-R182 PolarHBondContact OD2-NH2 3.1Å
183	F	87.6	Confident	79.1	Confident	4 Å²	4	71.9 Å²	71.9	2%	0.018	42%	0.415	C	S	.	.			trans	-127.4	71.1	-174.4	-44.5	-59.3	0	0	0	110.2	I161 Y164 L172 V174 I177 D180 E181 D185 G186	I161-F183 HydrophobicContact CB-CD1 4.07Å; I161-F183 HydrophobicContact CB-CD2 4.48Å; I161-F183 HydrophobicContact CB-CE1 4.41Å; I161-F183 HydrophobicContact CB-CG 4.14Å; I161-F183 HydrophobicContact CG1-CD1 4.46Å; I161-F183 HydrophobicContact CG1-CE1 4.33Å; I161-F183 HydrophobicContact CG1-CE2 4.43Å; I161-F183 HydrophobicContact CG1-CZ 4.33Å; Y164-F183 AromaticContact CD1-CE1 4Å; Y164-F183 HydrophobicContact CD1-CE1 4Å; Y164-F183 HydrophobicContact CD1-CZ 4.27Å; Y164-F183 AromaticContact CD2-CE1 3.94Å; Y164-F183 HydrophobicContact CD2-CE1 3.94Å; Y164-F183 AromaticContact CG-CE1 3.59Å; Y164-F183 HydrophobicContact CG-CE1 3.59Å; Y164-F183 HydrophobicContact CG-CZ 4.28Å; L172-F183 HydrophobicContact CD2-CE1 4.2Å; L172-F183 HydrophobicContact CD2-CE2 3.59Å; L172-F183 HydrophobicContact CD2-CZ 3.2Å; V174-F183 HydrophobicContact CG2-CD2 4.47Å; V174-F183 HydrophobicContact CG2-CE2 3.87Å; I177-F183 HydrophobicContact CD1-CB 4.04Å; I177-F183 HydrophobicContact CD1-CD2 3.63Å; I177-F183 HydrophobicContact CD1-CG 4.08Å; D180-F183 HydrophobicContact CB-CD2 3.96Å; D180-F183 HydrophobicContact CB-CE2 4.43Å; D180-F183 PolarHBondContact O-N 2.94Å; D180-F183 WeakPolarHBondContact OD2-CE2 3.46Å; E181-F183 PolarHBondContact O-N 2.74Å; F183-D185 PolarHBondContact O-N 2.83Å; F183-D185 VanDerWaalsContact O-N 3.17Å; F183-G186 WeakPolarHBondContact O-CA 3.44Å; F183-G186 PolarHBondContact O-N 3.31Å
184	P	80.3	Confident	78.3	Confident	89 Å²	89	76.3 Å²	76.3	58%	0.578	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-26.3	-177.2	25	-34.7	0	0	0	113.4	G158	G158-P184 VanDerWaalsContact O-CG 3.24Å; G158-P184 WeakPolarHBondContact O-CG 3.43Å
185	D	81.1	Confident	77.8	Confident	97 Å²	97	76.6 Å²	76.6	52%	0.519	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.1	2.5	174.5	-57.7	-37.2	0	0	0	112.7	T159 T160 F183 T187 G188	T159-D185 WeakPolarHBondContact CA-OD2 3.47Å; T159-D185 PolarHBondContact O-N 3.39Å; T160-D185 HydrophobicContact CG2-CB 3.97Å; F183-D185 PolarHBondContact O-N 2.83Å; F183-D185 VanDerWaalsContact O-N 3.17Å; D185-T187 PolarHBondContact O-N 2.92Å; D185-T187 VanDerWaalsContact O-N 3.15Å; D185-G188 WeakPolarHBondContact O-CA 3.47Å; D185-G188 PolarHBondContact O-N 2.79Å
186	G	84.4	Confident	77.7	Confident	7 Å²	7	72.4 Å²	72.4	7%	0.072	42%	0.417	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.6	-114.9	-176	0	0	0	0	0	112.8	T160 I161 F183	T160-G186 WeakPolarHBondContact CA-O 3.42Å; I161-G186 PolarHBondContact N-O 3.13Å; F183-G186 WeakPolarHBondContact O-CA 3.44Å; F183-G186 PolarHBondContact O-N 3.31Å
187	T	82.3	Confident	77.9	Confident	14 Å²	14	69.2 Å²	69.2	9%	0.086	40%	0.4	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-10.8	175.9	64.7	0	0	0	0	113.3	I177 D185 Q189 V195 V198 E215	I177-T187 HydrophobicContact CG1-CG2 4.4Å; D185-T187 PolarHBondContact O-N 2.92Å; D185-T187 VanDerWaalsContact O-N 3.15Å; T187-Q189 PolarHBondContact O-N 3.39Å; T187-V195 HydrophobicContact CG2-CB 4.5Å; T187-V195 HydrophobicContact CG2-CG1 4.2Å; T187-V198 HydrophobicContact CG2-CG2 3.74Å; T187-E215 WeakPolarHBondContact CB-OE1 3.34Å; T187-E215 WeakPolarHBondContact CG2-OE1 3.31Å
188	G	75.9	Confident	78.2	Confident	53 Å²	53	69.1 Å²	69.1	55%	0.546	40%	0.399	S	S	.	.	S	Bend	trans	69.3	13.1	-175.4	0	0	0	0	0	114.9	D185	D185-G188 WeakPolarHBondContact O-CA 3.47Å; D185-G188 PolarHBondContact O-N 2.79Å
189	Q	69.6	Low	78.8	Confident	64 Å²	64	62.4 Å²	62.4	30%	0.299	37%	0.366	S	S	.	.			trans	-111.1	109.2	-178.4	-61.4	-164.7	-2.9	0	0	112.9	Y125 T187 S191	Y125-Q189 PolarHBondContact OH-NE2 3.07Å; T187-Q189 PolarHBondContact O-N 3.39Å; Q189-S191 VanDerWaalsContact C-N 3.29Å; Q189-S191 PolarHBondContact O-N 3.19Å
190	D	59.5	Low	79.5	Confident	178 Å²	178	59.8 Å²	59.8	95%	0.952	34%	0.339	S	S	*	.			trans	-82.4	63	176.8	-103.8	-16.6	0	0	0	112.3
191	S	57.1	Low	79.9	Confident	66 Å²	66	58.4 Å²	58.4	46%	0.462	33%	0.332	S	S	.	.			trans	-90.8	-0.6	-174.7	60.5	0	0	0	0	114.9	Q189 I193	Q189-S191 VanDerWaalsContact C-N 3.29Å; Q189-S191 PolarHBondContact O-N 3.19Å; S191-I193 PolarHBondContact O-N 3.44Å; S191-I193 VanDerWaalsContact O-N 3.16Å
192	G	58.9	Low	80.4	Confident	76 Å²	76	50 Å²	50	78%	0.784	29%	0.293	S	S	*	.	S	Bend	trans	69.1	1.8	-174.8	0	0	0	0	0	114.5
193	I	63.2	Low	80.5	Confident	92 Å²	92	44.6 Å²	44.6	47%	0.472	27%	0.273	S	S	.	.	S	Bend	trans	-107.8	121.7	175.2	-53.3	172.8	0	0	0	108	S191 V195 H219	S191-I193 PolarHBondContact O-N 3.44Å; S191-I193 VanDerWaalsContact O-N 3.16Å; I193-V195 PolarHBondContact O-N 3.19Å; I193-V195 VanDerWaalsContact O-N 3.11Å; I193-H219 HydrophobicContact CG2-CB 4.23Å; I193-H219 VanDerWaalsContact CG2-CE1 3.45Å; I193-H219 WeakPolarHBondContact CG2-CE1 3.33Å; I193-H219 WeakPolarHBondContact CG2-ND1 3.41Å
194	H	74.7	Confident	80.5	Confident	135 Å²	135	46.9 Å²	46.9	63%	0.625	29%	0.285	S	S	*	.			trans	-73	104.9	-179.7	-64.6	-42.2	0	0	0	111	H219 W220	H194-H219 WeakPolarHBondContact O-CA 3.29Å; H194-W220 HydrophobicContact CB-CB 4.19Å; H194-W220 PolarHBondContact O-N 2.95Å
195	V	83.4	Confident	80.3	Confident	12 Å²	12	43.5 Å²	43.5	7%	0.073	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	125.8	168.1	-179.2	0	0	0	0	108.1	I177 T187 I193 V198 H217	I177-V195 HydrophobicContact CG2-CG1 4.33Å; I177-V195 WeakPolarHBondContact CG2-O 3.38Å; T187-V195 HydrophobicContact CG2-CB 4.5Å; T187-V195 HydrophobicContact CG2-CG1 4.2Å; I193-V195 PolarHBondContact O-N 3.19Å; I193-V195 VanDerWaalsContact O-N 3.11Å; V195-V198 HydrophobicContact CG1-CG2 3.56Å; V195-H217 HydrophobicContact CG1-CB 3.93Å; V195-H217 HydrophobicContact CG2-CB 4.11Å
196	H	84.6	Confident	79.7	Confident	36 Å²	36	43.2 Å²	43.2	17%	0.167	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	-51	-178.9	178.5	44.6	0	0	0	111.3	E175 D176 I177 R218 W220	E175-H196 CarbonylContact O-C 3.55Å; E175-H196 VanDerWaalsContact O-O 3.1Å; D176-H196 CarbonylContact C-O 3.55Å; D176-H196 VanDerWaalsContact CA-O 3.24Å; D176-H196 WeakPolarHBondContact CA-O 3.5Å; D176-H196 IonicContact OD1-CE1 3.62Å; D176-H196 IonicContact OD1-ND1 3.22Å; D176-H196 PolarHBondContact OD1-ND1 3.28Å; I177-H196 PolarHBondContact N-O 2.98Å; H196-R218 PolarHBondContact N-O 3.19Å; H196-W220 HydrophobicContact CB-CE3 3.88Å; H196-W220 AromaticContact CE1-CZ3 3.88Å; H196-W220 AromaticContact CG-CE3 3.76Å; H196-W220 AromaticContact ND1-CE3 3.71Å; H196-W220 AromaticContact ND1-CZ3 3.5Å; H196-W220 WeakPolarHBondContact ND1-CZ3 3.16Å
197	S	91.1	Very high	79.2	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	141.2	179.7	179.3	0	0	0	0	111	V174 E175 R218 F225	V174-S197 CarbonylContact O-C 3.56Å; V174-S197 VanDerWaalsContact O-CA 3.29Å; V174-S197 WeakPolarHBondContact O-CA 3.45Å; V174-S197 PolarHBondContact O-OG 3.46Å; E175-S197 WeakPolarHBondContact O-CA 3.39Å; E175-S197 VanDerWaalsContact O-CB 3.29Å; E175-S197 WeakPolarHBondContact O-CB 3.49Å; S197-R218 PolarHBondContact N-O 3.1Å; S197-R218 WeakPolarHBondContact O-CB 3.48Å; S197-R218 PolarHBondContact O-N 3.47Å; S197-F225 PolarHBondContact OG-N 3.24Å
198	V	93.3	Very high	79	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	135	-178	-177	0	0	0	0	110.3	I161 V174 I177 T187 V195 C200 E215 L216	I161-V198 HydrophobicContact CD1-CB 4.14Å; I161-V198 HydrophobicContact CD1-CG1 3.87Å; I161-V198 HydrophobicContact CG2-CG1 4.13Å; V174-V198 PolarHBondContact N-O 3.14Å; V174-V198 PolarHBondContact O-N 3.17Å; I177-V198 HydrophobicContact CB-CG2 3.9Å; I177-V198 HydrophobicContact CD1-CG2 4.48Å; I177-V198 HydrophobicContact CG1-CG2 3.98Å; I177-V198 HydrophobicContact CG2-CG2 4.03Å; T187-V198 HydrophobicContact CG2-CG2 3.74Å; V195-V198 HydrophobicContact CG1-CG2 3.56Å; V198-C200 HydrophobicContact CG1-CB 4.37Å; V198-E215 HydrophobicContact CG1-CG 3.58Å; V198-L216 WeakPolarHBondContact CA-O 3.17Å
199	L	94.2	Very high	79.3	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	109.7	168.5	175.1	63.1	0	0	0	108.5	T171 L173 L201 L216 F225 Q230 A233	T171-L199 HydrophobicContact CG2-CD1 4.04Å; L173-L199 HydrophobicContact CB-CD1 4.23Å; L173-L199 HydrophobicContact CD1-CD1 4.4Å; L199-L201 HydrophobicContact CD2-CD1 4.22Å; L199-L201 HydrophobicContact CG-CD1 3.83Å; L199-L201 HydrophobicContact CG-CG 4.32Å; L199-L216 HydrophobicContact CB-CB 4.31Å; L199-L216 HydrophobicContact CD2-CD1 4.05Å; L199-L216 HydrophobicContact CG-CD1 4.45Å; L199-L216 PolarHBondContact N-O 2.88Å; L199-L216 PolarHBondContact O-N 2.94Å; L199-F225 HydrophobicContact CB-CB 4.46Å; L199-F225 HydrophobicContact CB-CD2 3.87Å; L199-F225 HydrophobicContact CB-CE2 4.22Å; L199-F225 HydrophobicContact CB-CG 4.12Å; L199-Q230 HydrophobicContact CD1-CB 3.94Å; L199-Q230 HydrophobicContact CD1-CG 3.99Å; L199-Q230 HydrophobicContact CD2-CB 4.39Å; L199-A233 HydrophobicContact CD2-CB 3.74Å
200	C	94.4	Very high	80.1	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	120.4	-174.9	-168.2	0	0	0	0	110.2	I161 V165 T171 L172 V198 I213 L214 E215	I161-C200 HydrophobicContact CD1-CB 3.93Å; I161-C200 HydrophobicContact CG1-CB 3.93Å; V165-C200 HydrophobicContact CG2-CB 3.87Å; T171-C200 WeakPolarHBondContact CA-O 3.34Å; L172-C200 PolarHBondContact N-O 2.73Å; L172-C200 PolarHBondContact O-N 2.98Å; V198-C200 HydrophobicContact CG1-CB 4.37Å; C200-I213 VanDerWaalsContact SG-CG2 3.57Å; C200-L214 CarbonylContact C-O 3.5Å; C200-L214 WeakPolarHBondContact CA-O 3.45Å; C200-E215 HydrophobicContact CB-CG 4.35Å
201	L	94.2	Very high	81.3	Confident	1 Å²	1	42.6 Å²	42.6	1%	0.005	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	131.2	-172.6	-54	105.3	0	0	0	111.3	T171 L199 L214 L216 A233 L237	T171-L201 HydrophobicContact CG2-CD2 3.94Å; T171-L201 HydrophobicContact CG2-CG 3.91Å; L199-L201 HydrophobicContact CD2-CD1 4.22Å; L199-L201 HydrophobicContact CG-CD1 3.83Å; L199-L201 HydrophobicContact CG-CG 4.32Å; L201-L214 HydrophobicContact CD1-CG 4.49Å; L201-L214 PolarHBondContact N-O 3.12Å; L201-L214 PolarHBondContact O-N 3.33Å; L201-L216 HydrophobicContact CD1-CD1 4.01Å; L201-L216 HydrophobicContact CD1-CG 4.46Å; L201-A233 HydrophobicContact CD1-CB 3.97Å; L201-A233 HydrophobicContact CD2-CB 3.71Å; L201-L237 HydrophobicContact CB-CD2 3.44Å; L201-L237 VanDerWaalsContact CB-CD2 3.44Å; L201-L237 HydrophobicContact CD2-CD2 4.19Å; L201-L237 HydrophobicContact CG-CD2 4.33Å
202	P	92.6	Very high	82.8	Confident	12 Å²	12	39.5 Å²	39.5	8%	0.078	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	134.6	169.2	33	-31.7	0	0	0	110.4	V165 L204 L210	V165-P202 HydrophobicContact CG1-CB 3.99Å; V165-P202 HydrophobicContact CG1-CG 4.11Å; P202-L204 HydrophobicContact CB-CD1 4.49Å; P202-L204 HydrophobicContact CB-CD2 3.92Å; P202-L204 HydrophobicContact CB-CG 4Å; P202-L204 HydrophobicContact CG-CD1 4.23Å; P202-L204 HydrophobicContact CG-CG 4.2Å; P202-L204 PolarHBondContact O-N 3.42Å; P202-L210 HydrophobicContact CB-CD1 3.76Å
203	V	88.8	Confident	84.4	Confident	1 Å²	1	36 Å²	36	1%	0.006	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	106.2	168	-169.2	0	0	0	0	107.5	L106 I211 A212 L237	L106-V203 HydrophobicContact CD2-CG1 4.26Å; V203-I211 HydrophobicContact CB-CB 4.26Å; V203-I211 HydrophobicContact CG1-CB 4.1Å; V203-I211 HydrophobicContact CG1-CD1 4.29Å; V203-I211 WeakPolarHBondContact O-CB 3.43Å; V203-I211 PolarHBondContact O-N 3.02Å; V203-A212 HydrophobicContact CB-CB 4.09Å; V203-A212 WeakPolarHBondContact CB-O 3.33Å; V203-A212 HydrophobicContact CG2-CB 3.92Å; V203-A212 PolarHBondContact N-O 2.88Å; V203-L237 HydrophobicContact CG2-CD1 3.79Å; V203-L237 HydrophobicContact CG2-CD2 4.04Å; V203-L237 HydrophobicContact CG2-CG 4.09Å
204	L	85.8	Confident	85.8	Confident	51 Å²	51	31.6 Å²	31.6	27%	0.267	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	139.8	-174.3	-58.5	178.6	0	0	0	111.7	R169 P202 D209 L210 S241	R169-L204 HydrophobicContact CB-CD1 4.36Å; R169-L204 HydrophobicContact CB-CD2 4.23Å; R169-L204 HydrophobicContact CG-CD2 4.4Å; P202-L204 HydrophobicContact CB-CD1 4.49Å; P202-L204 HydrophobicContact CB-CD2 3.92Å; P202-L204 HydrophobicContact CB-CG 4Å; P202-L204 HydrophobicContact CG-CD1 4.23Å; P202-L204 HydrophobicContact CG-CG 4.2Å; P202-L204 PolarHBondContact O-N 3.42Å; L204-D209 CarbonylContact C-O 3.37Å; L204-D209 VanDerWaalsContact CA-O 3.24Å; L204-D209 WeakPolarHBondContact CA-O 3.48Å; L204-L210 HydrophobicContact CD2-CB 4.2Å; L204-L210 HydrophobicContact CD2-CD1 3.81Å; L204-S241 VanDerWaalsContact C-OG 3.29Å; L204-S241 WeakPolarHBondContact O-CB 3.24Å; L204-S241 PolarHBondContact O-OG 2.77Å
205	T	76.9	Confident	86.7	Confident	18 Å²	18	25.1 Å²	25.1	11%	0.11	15%	0.151	C	C	.	.			trans	-63	165.9	167.1	68.2	0	0	0	0	110.7	I207 G208 D209 I211	T205-I207 PolarHBondContact O-N 2.93Å; T205-I207 PolarHBondContact OG1-N 2.9Å; T205-G208 PolarHBondContact O-N 3.41Å; T205-G208 PolarHBondContact OG1-N 3.38Å; T205-D209 HydrophobicContact CG2-CB 4Å; T205-D209 PolarHBondContact N-O 3.43Å; T205-D209 WeakPolarHBondContact OG1-CB 3.37Å; T205-D209 PolarHBondContact OG1-N 3.43Å; T205-I211 HydrophobicContact CG2-CD1 3.69Å; T205-I211 HydrophobicContact CG2-CG1 3.69Å
206	A	69.8	Low	87.2	Confident	91 Å²	91	24.6 Å²	24.6	75%	0.752	15%	0.148	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-21.6	173.7	0	0	0	0	0	113.5
207	I	73.4	Confident	87.6	Confident	136 Å²	136	23 Å²	23	70%	0.697	14%	0.14	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.6	-0.8	-179.9	-29.6	176.2	0	0	0	111.3	T205	T205-I207 PolarHBondContact O-N 2.93Å; T205-I207 PolarHBondContact OG1-N 2.9Å
208	G	77.3	Confident	87.6	Confident	24 Å²	24	23.9 Å²	23.9	25%	0.247	14%	0.144	C	C	.	.			trans	92.4	10.5	173.8	0	0	0	0	0	115.7	R169 T205	R169-G208 PolarHBondContact NH1-O 2.92Å; T205-G208 PolarHBondContact O-N 3.41Å; T205-G208 PolarHBondContact OG1-N 3.38Å
209	D	83.5	Confident	87.4	Confident	89 Å²	89	25.7 Å²	25.7	48%	0.476	15%	0.152	S	C	.	.			trans	-77.9	139.2	176.6	-65.4	-40.9	0	0	0	111.6	L204 T205 I211	L204-D209 CarbonylContact C-O 3.37Å; L204-D209 VanDerWaalsContact CA-O 3.24Å; L204-D209 WeakPolarHBondContact CA-O 3.48Å; T205-D209 HydrophobicContact CG2-CB 4Å; T205-D209 PolarHBondContact N-O 3.43Å; T205-D209 WeakPolarHBondContact OG1-CB 3.37Å; T205-D209 PolarHBondContact OG1-N 3.43Å; D209-I211 PolarHBondContact O-N 3.12Å
210	L	85.9	Confident	86.7	Confident	24 Å²	24	34.2 Å²	34.2	13%	0.126	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	117.2	-178.3	-176.2	67	0	0	0	111	L127 A166 P202 L204 A212 I213	L127-L210 HydrophobicContact CD2-CD2 4.21Å; A166-L210 HydrophobicContact CB-CD2 4.04Å; P202-L210 HydrophobicContact CB-CD1 3.76Å; L204-L210 HydrophobicContact CD2-CB 4.2Å; L204-L210 HydrophobicContact CD2-CD1 3.81Å; L210-A212 WeakPolarHBondContact CD1-O 3.1Å; L210-I213 HydrophobicContact CD1-CG1 4.14Å; L210-I213 HydrophobicContact CD2-CD1 4.31Å; L210-I213 HydrophobicContact CD2-CG1 4.34Å
211	I	84.1	Confident	86	Confident	31 Å²	31	37.7 Å²	37.7	16%	0.159	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	-49.1	177.1	-53.8	178.9	0	0	0	110.6	L106 V203 T205 D209	L106-I211 HydrophobicContact CD1-CG2 4.14Å; V203-I211 HydrophobicContact CB-CB 4.26Å; V203-I211 HydrophobicContact CG1-CB 4.1Å; V203-I211 HydrophobicContact CG1-CD1 4.29Å; V203-I211 WeakPolarHBondContact O-CB 3.43Å; V203-I211 PolarHBondContact O-N 3.02Å; T205-I211 HydrophobicContact CG2-CD1 3.69Å; T205-I211 HydrophobicContact CG2-CG1 3.69Å; D209-I211 PolarHBondContact O-N 3.12Å
212	A	89.1	Confident	85.4	Confident	1 Å²	1	44.9 Å²	44.9	1%	0.008	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.7	174.2	-174.8	0	0	0	0	0	110.7	L106 L124 Y125 F126 V203 L210	L106-A212 HydrophobicContact CD1-CB 4.2Å; L124-A212 HydrophobicContact CD1-CB 4.15Å; Y125-A212 CarbonylContact O-C 3.52Å; Y125-A212 WeakPolarHBondContact O-CA 3.48Å; Y125-A212 WeakPolarHBondContact O-CB 3.3Å; F126-A212 HydrophobicContact CD1-CB 3.93Å; F126-A212 HydrophobicContact CE1-CB 3.79Å; F126-A212 HydrophobicContact CZ-CB 4.31Å; V203-A212 HydrophobicContact CB-CB 4.09Å; V203-A212 WeakPolarHBondContact CB-O 3.33Å; V203-A212 HydrophobicContact CG2-CB 3.92Å; V203-A212 PolarHBondContact N-O 2.88Å; L210-A212 WeakPolarHBondContact CD1-O 3.1Å
213	I	92.3	Very high	85.2	Confident	1 Å²	1	50.8 Å²	50.8	1%	0.005	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	125.8	175	-55.7	174.4	0	0	0	108.8	L124 Y125 L134 A162 V165 A166 C200 L210	L124-I213 WeakPolarHBondContact CA-O 3.47Å; Y125-I213 HydrophobicContact CD2-CB 4.37Å; Y125-I213 HydrophobicContact CD2-CG2 4.49Å; Y125-I213 PolarHBondContact N-O 3.39Å; Y125-I213 PolarHBondContact O-N 2.74Å; L134-I213 HydrophobicContact CD1-CD1 3.91Å; L134-I213 HydrophobicContact CD2-CD1 3.57Å; L134-I213 HydrophobicContact CG-CD1 4.41Å; A162-I213 HydrophobicContact CB-CG2 4.34Å; A162-I213 VanDerWaalsContact O-CD1 3.3Å; A162-I213 WeakPolarHBondContact O-CD1 3.13Å; V165-I213 HydrophobicContact CG1-CG2 4.33Å; A166-I213 HydrophobicContact CB-CD1 3.29Å; C200-I213 VanDerWaalsContact SG-CG2 3.57Å; L210-I213 HydrophobicContact CD1-CG1 4.14Å; L210-I213 HydrophobicContact CD2-CD1 4.31Å; L210-I213 HydrophobicContact CD2-CG1 4.34Å
214	L	93.4	Very high	85.2	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	117.7	175.7	175.3	58	0	0	0	109.3	I113 F122 C200 L201 L216 L237	I113-L214 HydrophobicContact CB-CD2 4.34Å; I113-L214 HydrophobicContact CD1-CD2 3.9Å; I113-L214 HydrophobicContact CG2-CD2 4.09Å; F122-L214 HydrophobicContact CB-CD1 4.08Å; F122-L214 HydrophobicContact CD2-CD1 3.65Å; F122-L214 HydrophobicContact CG-CD1 4.19Å; C200-L214 CarbonylContact C-O 3.5Å; C200-L214 WeakPolarHBondContact CA-O 3.45Å; L201-L214 HydrophobicContact CD1-CG 4.49Å; L201-L214 PolarHBondContact N-O 3.12Å; L201-L214 PolarHBondContact O-N 3.33Å; L214-L216 HydrophobicContact CD1-CD2 4.15Å; L214-L216 HydrophobicContact CD2-CD2 4.41Å; L214-L216 HydrophobicContact CG-CD2 4.28Å; L214-L216 HydrophobicContact CG-CG 4.29Å; L214-L237 HydrophobicContact CD2-CD1 4.07Å
215	E	93.6	Very high	85.5	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	118.6	176	-166.3	-178	149.7	0	0	109.1	F122 A123 Y125 I161 T187 V198 C200 H217	F122-E215 CarbonylContact C-O 3.59Å; F122-E215 WeakPolarHBondContact CA-O 3.48Å; F122-E215 VanDerWaalsContact CB-O 3.3Å; F122-E215 WeakPolarHBondContact CB-O 3.4Å; A123-E215 HydrophobicContact CB-CB 4.29Å; A123-E215 PolarHBondContact N-O 3.42Å; A123-E215 PolarHBondContact O-N 3.44Å; Y125-E215 HydrophobicContact CE2-CB 4.07Å; Y125-E215 VanDerWaalsContact CE2-OE2 3.31Å; Y125-E215 WeakPolarHBondContact CE2-OE2 3.29Å; Y125-E215 PolarHBondContact OH-OE2 3.34Å; I161-E215 HydrophobicContact CG2-CG 4.34Å; T187-E215 WeakPolarHBondContact CB-OE1 3.34Å; T187-E215 WeakPolarHBondContact CG2-OE1 3.31Å; V198-E215 HydrophobicContact CG1-CG 3.58Å; C200-E215 HydrophobicContact CB-CG 4.35Å; E215-H217 WeakPolarHBondContact CG-NE2 3.5Å; E215-H217 IonicContact OE1-CD2 3.91Å; E215-H217 IonicContact OE1-NE2 3.82Å; E215-H217 PolarHBondContact OE1-NE2 3.29Å; E215-H217 VanDerWaalsContact OE1-NE2 3.15Å
216	L	93.3	Very high	86.1	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	134.8	178.7	-62.1	170.4	0	0	0	109.6	I113 K114 T117 A119 F122 V198 L199 L201 L214 F225 A233	I113-L216 HydrophobicContact CG2-CD1 3.97Å; K114-L216 HydrophobicContact CB-CD2 4.34Å; T117-L216 HydrophobicContact CG2-CD1 4.19Å; A119-L216 HydrophobicContact CB-CB 4.17Å; A119-L216 HydrophobicContact CB-CD2 4.23Å; F122-L216 HydrophobicContact CB-CD2 3.73Å; V198-L216 WeakPolarHBondContact CA-O 3.17Å; L199-L216 HydrophobicContact CB-CB 4.31Å; L199-L216 HydrophobicContact CD2-CD1 4.05Å; L199-L216 HydrophobicContact CG-CD1 4.45Å; L199-L216 PolarHBondContact N-O 2.88Å; L199-L216 PolarHBondContact O-N 2.94Å; L201-L216 HydrophobicContact CD1-CD1 4.01Å; L201-L216 HydrophobicContact CD1-CG 4.46Å; L214-L216 HydrophobicContact CD1-CD2 4.15Å; L214-L216 HydrophobicContact CD2-CD2 4.41Å; L214-L216 HydrophobicContact CG-CD2 4.28Å; L214-L216 HydrophobicContact CG-CG 4.29Å; L216-F225 HydrophobicContact CB-CE2 4.3Å; L216-F225 HydrophobicContact CB-CZ 4.03Å; L216-F225 WeakPolarHBondContact O-CE2 3.48Å; L216-A233 HydrophobicContact CD1-CB 4.22Å
217	H	92.5	Very high	86.9	Confident	2 Å²	2	52.5 Å²	52.5	1%	0.009	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	140.9	-174.2	-50.6	149.4	0	0	0	112.4	D120 S121 V195 E215	D120-H217 PolarHBondContact N-O 3.17Å; S121-H217 PolarHBondContact O-N 3.09Å; S121-H217 WeakPolarHBondContact OG-CB 3.43Å; S121-H217 PolarHBondContact OG-ND1 3.06Å; V195-H217 HydrophobicContact CG1-CB 3.93Å; V195-H217 HydrophobicContact CG2-CB 4.11Å; E215-H217 WeakPolarHBondContact CG-NE2 3.5Å; E215-H217 IonicContact OE1-CD2 3.91Å; E215-H217 IonicContact OE1-NE2 3.82Å; E215-H217 PolarHBondContact OE1-NE2 3.29Å; E215-H217 VanDerWaalsContact OE1-NE2 3.15Å
218	R	90.8	Very high	87.4	Confident	19 Å²	19	55.2 Å²	55.2	7%	0.072	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	126.1	168.4	-98	-82.5	-166.8	-121.8	-12.1	109.3	K118 D120 H196 S197 R222 E223 F225	K118-R218 PolarHBondContact O-NH1 3.43Å; K118-R218 PolarHBondContact O-NH2 3.01Å; D120-R218 IonicContact OD1-NH1 3.79Å; D120-R218 WeakPolarHBondContact OD2-CA 3.29Å; D120-R218 IonicContact OD2-NH1 3.8Å; H196-R218 PolarHBondContact N-O 3.19Å; S197-R218 PolarHBondContact N-O 3.1Å; S197-R218 WeakPolarHBondContact O-CB 3.48Å; S197-R218 PolarHBondContact O-N 3.47Å; R218-R222 VanDerWaalsContact CD-CB 3.44Å; R218-E223 VanDerWaalsContact CD-O 3.25Å; R218-E223 WeakPolarHBondContact CD-O 3.44Å; R218-E223 PolarHBondContact NE-O 3.18Å; R218-F225 HydrophobicContact CB-CD2 4.13Å; R218-F225 HydrophobicContact CB-CE2 3.75Å; R218-F225 HydrophobicContact CB-CZ 4.19Å; R218-F225 HydrophobicContact CG-CD1 4.16Å; R218-F225 HydrophobicContact CG-CD2 3.82Å; R218-F225 HydrophobicContact CG-CE1 3.82Å; R218-F225 HydrophobicContact CG-CE2 3.46Å; R218-F225 VanDerWaalsContact CG-CE2 3.46Å; R218-F225 HydrophobicContact CG-CG 4.16Å; R218-F225 HydrophobicContact CG-CZ 3.46Å; R218-F225 VanDerWaalsContact CG-CZ 3.46Å
219	H	89	Confident	87.8	Confident	38 Å²	38	55.7 Å²	55.7	18%	0.176	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	157.1	179.1	-59.7	-43.5	0	0	0	112.1	D120 I193 H194 G221 R222	D120-H219 WeakPolarHBondContact CB-CD2 3.26Å; D120-H219 WeakPolarHBondContact CB-NE2 3.47Å; D120-H219 IonicContact OD2-CD2 3.86Å; D120-H219 IonicContact OD2-CG 3.9Å; D120-H219 PolarHBondContact OD2-N 3.46Å; I193-H219 HydrophobicContact CG2-CB 4.23Å; I193-H219 VanDerWaalsContact CG2-CE1 3.45Å; I193-H219 WeakPolarHBondContact CG2-CE1 3.33Å; I193-H219 WeakPolarHBondContact CG2-ND1 3.41Å; H194-H219 WeakPolarHBondContact O-CA 3.29Å; H219-G221 PolarHBondContact O-N 3.37Å; H219-R222 WeakPolarHBondContact O-CB 3.27Å; H219-R222 PolarHBondContact O-N 3.02Å
220	W	80.3	Confident	88.1	Confident	179 Å²	179	53.6 Å²	53.6	68%	0.678	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.8	134.2	175.4	-169.3	-90.6	0	0	0	111.8	H194 H196	H194-W220 HydrophobicContact CB-CB 4.19Å; H194-W220 PolarHBondContact O-N 2.95Å; H196-W220 HydrophobicContact CB-CE3 3.88Å; H196-W220 AromaticContact CE1-CZ3 3.88Å; H196-W220 AromaticContact CG-CE3 3.76Å; H196-W220 AromaticContact ND1-CE3 3.71Å; H196-W220 AromaticContact ND1-CZ3 3.5Å; H196-W220 WeakPolarHBondContact ND1-CZ3 3.16Å
221	G	78.7	Confident	87.9	Confident	74 Å²	74	58 Å²	58	76%	0.763	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.7	-3.5	-177.1	0	0	0	0	0	115.4	H219	H219-G221 PolarHBondContact O-N 3.37Å
222	R	83.4	Confident	87.8	Confident	151 Å²	151	58.4 Å²	58.4	57%	0.57	28%	0.28	S	S	*	.	S	Bend	trans	-97.4	155.3	166.8	-65.5	-70.2	-161.3	-173.3	-2.9	110.5	D120 R218 H219	D120-R222 IonicContact OD1-NE 3.61Å; R218-R222 VanDerWaalsContact CD-CB 3.44Å; H219-R222 WeakPolarHBondContact O-CB 3.27Å; H219-R222 PolarHBondContact O-N 3.02Å
223	E	86.9	Confident	87.6	Confident	136 Å²	136	58.4 Å²	58.4	64%	0.636	28%	0.28	S	S	*	.	P	Polyproline II helix	trans	-60.7	131.8	173.2	-169.7	-174.7	166.2	0	0	110.3	R218	R218-E223 VanDerWaalsContact CD-O 3.25Å; R218-E223 WeakPolarHBondContact CD-O 3.44Å; R218-E223 PolarHBondContact NE-O 3.18Å
224	P	89.3	Confident	87.2	Confident	40 Å²	40	61 Å²	61	26%	0.26	30%	0.296	S	S	.	.	P	Polyproline II helix	trans	-54.1	155.9	175.3	-26.5	34.8	0	0	0	112.8	E175	E175-P224 HydrophobicContact CB-CB 4.26Å; E175-P224 HydrophobicContact CG-CB 4.29Å
225	F	92.4	Very high	86.5	Confident	1 Å²	1	63.5 Å²	63.5	0%	0.004	32%	0.317	C	S	.	.	P	Polyproline II helix	trans	-62.4	151	169	-68.4	-65.5	0	0	0	109.8	A119 L173 S197 L199 L216 R218 H229	A119-F225 HydrophobicContact CB-CE1 4.03Å; A119-F225 HydrophobicContact CB-CZ 3.63Å; L173-F225 HydrophobicContact CD1-CB 3.32Å; L173-F225 HydrophobicContact CD1-CG 4.48Å; S197-F225 PolarHBondContact OG-N 3.24Å; L199-F225 HydrophobicContact CB-CB 4.46Å; L199-F225 HydrophobicContact CB-CD2 3.87Å; L199-F225 HydrophobicContact CB-CE2 4.22Å; L199-F225 HydrophobicContact CB-CG 4.12Å; L216-F225 HydrophobicContact CB-CE2 4.3Å; L216-F225 HydrophobicContact CB-CZ 4.03Å; L216-F225 WeakPolarHBondContact O-CE2 3.48Å; R218-F225 HydrophobicContact CB-CD2 4.13Å; R218-F225 HydrophobicContact CB-CE2 3.75Å; R218-F225 HydrophobicContact CB-CZ 4.19Å; R218-F225 HydrophobicContact CG-CD1 4.16Å; R218-F225 HydrophobicContact CG-CD2 3.82Å; R218-F225 HydrophobicContact CG-CE1 3.82Å; R218-F225 HydrophobicContact CG-CE2 3.46Å; R218-F225 VanDerWaalsContact CG-CE2 3.46Å; R218-F225 HydrophobicContact CG-CG 4.16Å; R218-F225 HydrophobicContact CG-CZ 3.46Å; R218-F225 VanDerWaalsContact CG-CZ 3.46Å; F225-H229 HydrophobicContact CB-CB 4.45Å; F225-H229 HydrophobicContact CD1-CB 3.91Å
226	N	88.9	Confident	85.8	Confident	50 Å²	50	64.1 Å²	64.1	27%	0.267	32%	0.32	S	S	.	.			trans	-133.5	176.3	-178.2	65.4	35.9	0	0	0	108.9	R228 H229 Q230	N226-R228 PolarHBondContact O-N 3.28Å; N226-R228 WeakPolarHBondContact OD1-CB 3.36Å; N226-R228 PolarHBondContact OD1-N 2.85Å; N226-H229 VanDerWaalsContact CG-ND1 3.32Å; N226-H229 PolarHBondContact N-ND1 3.21Å; N226-H229 PolarHBondContact ND2-CE1 2.75Å; N226-H229 WeakPolarHBondContact O-CB 3.28Å; N226-H229 PolarHBondContact O-N 2.77Å; N226-H229 PolarHBondContact OD1-N 2.81Å; N226-H229 PolarHBondContact OD1-ND1 3.31Å; N226-H229 VanDerWaalsContact OD1-ND1 3.14Å; N226-Q230 PolarHBondContact O-N 3.37Å; N226-Q230 VanDerWaalsContact O-N 3.13Å
227	L	87.2	Confident	85.2	Confident	106 Å²	106	64.6 Å²	64.6	56%	0.555	32%	0.322	S	S	*	.	H	α-helix	trans	-58.8	-33.5	-175.8	-167.1	66.5	0	0	0	113	H229 Q230 E231	L227-H229 PolarHBondContact O-N 3.47Å; L227-Q230 WeakPolarHBondContact O-CB 3.09Å; L227-Q230 PolarHBondContact O-N 3.41Å; L227-E231 WeakPolarHBondContact O-CG 3.3Å; L227-E231 PolarHBondContact O-N 3.34Å
228	R	83.2	Confident	84.4	Confident	193 Å²	193	67 Å²	67	73%	0.728	34%	0.343	S	S	*	.	H	α-helix	trans	-65.8	-39.5	177.1	-64	-176.7	172.2	-176.1	-1.9	111.8	N226 Q230 E231 V232	N226-R228 PolarHBondContact O-N 3.28Å; N226-R228 WeakPolarHBondContact OD1-CB 3.36Å; N226-R228 PolarHBondContact OD1-N 2.85Å; R228-Q230 VanDerWaalsContact C-N 3.32Å; R228-E231 PolarHBondContact O-N 3.38Å; R228-V232 WeakPolarHBondContact O-CG2 3.43Å; R228-V232 PolarHBondContact O-N 2.94Å
229	H	87	Confident	83.6	Confident	34 Å²	34	73.7 Å²	73.7	16%	0.157	37%	0.368	C	S	.	.	H	α-helix	trans	-64	-39.8	174.3	-60.2	124.4	0	0	0	111.3	F225 N226 L227 A233	F225-H229 HydrophobicContact CB-CB 4.45Å; F225-H229 HydrophobicContact CD1-CB 3.91Å; N226-H229 VanDerWaalsContact CG-ND1 3.32Å; N226-H229 PolarHBondContact N-ND1 3.21Å; N226-H229 PolarHBondContact ND2-CE1 2.75Å; N226-H229 WeakPolarHBondContact O-CB 3.28Å; N226-H229 PolarHBondContact O-N 2.77Å; N226-H229 PolarHBondContact OD1-N 2.81Å; N226-H229 PolarHBondContact OD1-ND1 3.31Å; N226-H229 VanDerWaalsContact OD1-ND1 3.14Å; L227-H229 PolarHBondContact O-N 3.47Å; H229-A233 WeakPolarHBondContact O-CB 3.29Å; H229-A233 PolarHBondContact O-N 3.01Å
230	Q	88.4	Confident	82.8	Confident	46 Å²	46	72 Å²	72	22%	0.215	36%	0.36	C	S	.	.	H	α-helix	trans	-63.6	-44.2	174.8	178	178.1	-24.1	0	0	112.3	T171 L199 N226 L227 R228 A233 T234	T171-Q230 HydrophobicContact CG2-CG 3.97Å; L199-Q230 HydrophobicContact CD1-CB 3.94Å; L199-Q230 HydrophobicContact CD1-CG 3.99Å; L199-Q230 HydrophobicContact CD2-CB 4.39Å; N226-Q230 PolarHBondContact O-N 3.37Å; N226-Q230 VanDerWaalsContact O-N 3.13Å; L227-Q230 WeakPolarHBondContact O-CB 3.09Å; L227-Q230 PolarHBondContact O-N 3.41Å; R228-Q230 VanDerWaalsContact C-N 3.32Å; Q230-A233 PolarHBondContact O-N 3.07Å; Q230-T234 VanDerWaalsContact O-CB 3.24Å; Q230-T234 WeakPolarHBondContact O-CB 3.45Å; Q230-T234 PolarHBondContact O-N 3.27Å; Q230-T234 PolarHBondContact O-OG1 3.47Å
231	E	82.8	Confident	82.5	Confident	117 Å²	117	63.7 Å²	63.7	55%	0.547	33%	0.33	S	S	.	.	H	α-helix	trans	-59.5	-47.5	176.9	-74.4	170.8	172.3	0	0	111.3	L227 R228 T234 A235	L227-E231 WeakPolarHBondContact O-CG 3.3Å; L227-E231 PolarHBondContact O-N 3.34Å; R228-E231 PolarHBondContact O-N 3.38Å; E231-T234 PolarHBondContact O-N 2.93Å; E231-A235 VanDerWaalsContact O-CB 3.28Å; E231-A235 WeakPolarHBondContact O-CB 3.32Å; E231-A235 PolarHBondContact O-N 3.39Å
232	V	81.6	Confident	82.3	Confident	39 Å²	39	64.2 Å²	64.2	24%	0.236	32%	0.318	C	S	.	.	H	α-helix	trans	-62.7	-47.7	177.8	172.8	0	0	0	0	111.2	A116 R228 T234 A235 N236	A116-V232 HydrophobicContact CB-CG1 4.21Å; R228-V232 WeakPolarHBondContact O-CG2 3.43Å; R228-V232 PolarHBondContact O-N 2.94Å; V232-T234 PolarHBondContact O-N 3.36Å; V232-A235 PolarHBondContact O-N 3.37Å; V232-N236 PolarHBondContact O-N 3.13Å; V232-N236 VanDerWaalsContact O-N 3.14Å; V232-N236 PolarHBondContact O-ND2 3.33Å
233	A	84.3	Confident	81.7	Confident	0 Å²	0	58 Å²	58	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-62.5	-44.9	179.4	0	0	0	0	0	111.8	I113 T117 L199 L201 L216 H229 Q230 L237	I113-A233 HydrophobicContact CG2-CB 4.07Å; T117-A233 HydrophobicContact CG2-CB 3.9Å; L199-A233 HydrophobicContact CD2-CB 3.74Å; L201-A233 HydrophobicContact CD1-CB 3.97Å; L201-A233 HydrophobicContact CD2-CB 3.71Å; L216-A233 HydrophobicContact CD1-CB 4.22Å; H229-A233 WeakPolarHBondContact O-CB 3.29Å; H229-A233 PolarHBondContact O-N 3.01Å; Q230-A233 PolarHBondContact O-N 3.07Å; A233-L237 WeakPolarHBondContact O-CB 3.41Å; A233-L237 PolarHBondContact O-N 3.42Å
234	T	84	Confident	81	Confident	56 Å²	56	51.6 Å²	51.6	34%	0.344	27%	0.269	S	S	.	.	H	α-helix	trans	-65.9	-42.9	-178.6	-54.2	0	0	0	0	111.1	Q230 E231 V232 L237 A238	Q230-T234 VanDerWaalsContact O-CB 3.24Å; Q230-T234 WeakPolarHBondContact O-CB 3.45Å; Q230-T234 PolarHBondContact O-N 3.27Å; Q230-T234 PolarHBondContact O-OG1 3.47Å; E231-T234 PolarHBondContact O-N 2.93Å; V232-T234 PolarHBondContact O-N 3.36Å; T234-L237 PolarHBondContact O-N 3.5Å; T234-A238 WeakPolarHBondContact O-CB 3.46Å; T234-A238 PolarHBondContact O-N 3.41Å
235	A	79.8	Confident	80.3	Confident	53 Å²	53	51.7 Å²	51.7	44%	0.438	27%	0.266	S	S	.	.	H	α-helix	trans	-61.8	-48.6	178.3	0	0	0	0	0	111.9	E231 V232 L237 A238 W239	E231-A235 VanDerWaalsContact O-CB 3.28Å; E231-A235 WeakPolarHBondContact O-CB 3.32Å; E231-A235 PolarHBondContact O-N 3.39Å; V232-A235 PolarHBondContact O-N 3.37Å; A235-L237 PolarHBondContact O-N 3.37Å; A235-A238 PolarHBondContact O-N 3.45Å; A235-W239 PolarHBondContact O-N 3.39Å
236	N	77.8	Confident	79.3	Confident	12 Å²	12	57 Å²	57	6%	0.064	29%	0.291	C	S	.	.	H	α-helix	trans	-67.4	-37.1	179.8	-73.5	-77.5	0	0	0	112.3	L88 I113 V232 W239 A240	L88-N236 HydrophobicContact CD1-CB 4.39Å; L88-N236 VanDerWaalsContact CD1-OD1 3.26Å; L88-N236 WeakPolarHBondContact CD1-OD1 3.36Å; I113-N236 HydrophobicContact CD1-CB 4.28Å; I113-N236 HydrophobicContact CG1-CB 3.96Å; V232-N236 PolarHBondContact O-N 3.13Å; V232-N236 VanDerWaalsContact O-N 3.14Å; V232-N236 PolarHBondContact O-ND2 3.33Å; N236-W239 PolarHBondContact O-N 3.07Å; N236-A240 PolarHBondContact O-N 3.07Å; N236-A240 VanDerWaalsContact O-N 3.11Å
237	L	80.8	Confident	78.4	Confident	10 Å²	10	55.4 Å²	55.4	5%	0.052	28%	0.283	C	S	.	.	H	α-helix	trans	-68.7	-34.5	177.8	-162.1	66.4	0	0	0	112.5	I113 L201 V203 L214 A233 T234 A235 A240 S241	I113-L237 HydrophobicContact CD1-CB 4.27Å; I113-L237 HydrophobicContact CD1-CD1 3.82Å; L201-L237 HydrophobicContact CB-CD2 3.44Å; L201-L237 VanDerWaalsContact CB-CD2 3.44Å; L201-L237 HydrophobicContact CD2-CD2 4.19Å; L201-L237 HydrophobicContact CG-CD2 4.33Å; V203-L237 HydrophobicContact CG2-CD1 3.79Å; V203-L237 HydrophobicContact CG2-CD2 4.04Å; V203-L237 HydrophobicContact CG2-CG 4.09Å; L214-L237 HydrophobicContact CD2-CD1 4.07Å; A233-L237 WeakPolarHBondContact O-CB 3.41Å; A233-L237 PolarHBondContact O-N 3.42Å; T234-L237 PolarHBondContact O-N 3.5Å; A235-L237 PolarHBondContact O-N 3.37Å; L237-A240 PolarHBondContact O-N 2.94Å; L237-S241 WeakPolarHBondContact O-CB 3.29Å; L237-S241 PolarHBondContact O-N 3.26Å
238	A	76.3	Confident	77.6	Confident	53 Å²	53	54.5 Å²	54.5	44%	0.438	28%	0.275	S	S	.	.	H	α-helix	trans	-62.1	-44.8	174.8	0	0	0	0	0	111.4	T234 A235 S241 V242	T234-A238 WeakPolarHBondContact O-CB 3.46Å; T234-A238 PolarHBondContact O-N 3.41Å; A235-A238 PolarHBondContact O-N 3.45Å; A238-S241 PolarHBondContact O-N 3.44Å; A238-V242 WeakPolarHBondContact O-CG2 3.49Å; A238-V242 PolarHBondContact O-N 2.94Å
239	W	73.9	Confident	76.9	Confident	160 Å²	160	50.4 Å²	50.4	61%	0.606	27%	0.266	S	S	*	.	H	α-helix	trans	-62.1	-43.9	174.8	-77	107.8	0	0	0	112.6	A235 N236 S241 V242 A243	A235-W239 PolarHBondContact O-N 3.39Å; N236-W239 PolarHBondContact O-N 3.07Å; W239-S241 VanDerWaalsContact C-N 3.33Å; W239-S241 PolarHBondContact O-N 2.92Å; W239-V242 PolarHBondContact O-N 3.44Å; W239-A243 PolarHBondContact O-N 2.92Å; W239-A243 VanDerWaalsContact O-N 3.15Å
240	A	72.4	Confident	76.2	Confident	1 Å²	1	51.7 Å²	51.7	1%	0.008	28%	0.278	C	S	.	.	H	α-helix	trans	-58.3	-45.1	175	0	0	0	0	0	112	L109 N236 L237 I244	L109-A240 HydrophobicContact CD1-CB 3.66Å; N236-A240 PolarHBondContact O-N 3.07Å; N236-A240 VanDerWaalsContact O-N 3.11Å; L237-A240 PolarHBondContact O-N 2.94Å; A240-I244 WeakPolarHBondContact O-CD1 3.42Å; A240-I244 VanDerWaalsContact O-CG1 3.28Å; A240-I244 WeakPolarHBondContact O-CG1 3.39Å; A240-I244 PolarHBondContact O-N 3.24Å; A240-I244 VanDerWaalsContact O-N 3.09Å
241	S	73.9	Confident	75.2	Confident	5 Å²	5	54 Å²	54	4%	0.035	29%	0.285	C	S	.	.	H	α-helix	trans	-65.4	-46	-179.8	-170.8	0	0	0	0	112.7	L204 L237 A238 W239 A243 I244 H245	L204-S241 VanDerWaalsContact C-OG 3.29Å; L204-S241 WeakPolarHBondContact O-CB 3.24Å; L204-S241 PolarHBondContact O-OG 2.77Å; L237-S241 WeakPolarHBondContact O-CB 3.29Å; L237-S241 PolarHBondContact O-N 3.26Å; A238-S241 PolarHBondContact O-N 3.44Å; W239-S241 VanDerWaalsContact C-N 3.33Å; W239-S241 PolarHBondContact O-N 2.92Å; S241-A243 VanDerWaalsContact C-N 3.31Å; S241-A243 PolarHBondContact O-N 3.49Å; S241-I244 PolarHBondContact O-N 2.8Å; S241-H245 WeakPolarHBondContact O-CB 3.48Å; S241-H245 PolarHBondContact O-N 2.93Å
242	V	73.8	Confident	74.6	Confident	86 Å²	86	50.2 Å²	50.2	52%	0.521	28%	0.278	S	S	.	.	H	α-helix	trans	-58.1	-44.5	178.6	169	0	0	0	0	111	A238 W239 H245 Q246	A238-V242 WeakPolarHBondContact O-CG2 3.49Å; A238-V242 PolarHBondContact O-N 2.94Å; W239-V242 PolarHBondContact O-N 3.44Å; V242-H245 PolarHBondContact O-N 3.29Å; V242-Q246 WeakPolarHBondContact O-CB 3.43Å; V242-Q246 PolarHBondContact O-N 3.11Å
243	A	71.3	Confident	74.2	Confident	19 Å²	19	53.5 Å²	53.5	16%	0.157	29%	0.293	C	S	.	.	H	α-helix	trans	-70.1	-40.5	-179.8	0	0	0	0	0	113.6	M92 W239 S241 H245 Q246 V247	M92-A243 HydrophobicContact CE-CB 2.93Å; W239-A243 PolarHBondContact O-N 2.92Å; W239-A243 VanDerWaalsContact O-N 3.15Å; S241-A243 VanDerWaalsContact C-N 3.31Å; S241-A243 PolarHBondContact O-N 3.49Å; A243-H245 VanDerWaalsContact C-N 3.28Å; A243-H245 PolarHBondContact O-N 3.49Å; A243-Q246 PolarHBondContact O-N 2.95Å; A243-V247 VanDerWaalsContact O-CG2 3.27Å; A243-V247 WeakPolarHBondContact O-CG2 3.37Å; A243-V247 PolarHBondContact O-N 2.85Å
244	I	72.2	Confident	73.8	Confident	3 Å²	3	56.3 Å²	56.3	2%	0.015	32%	0.316	C	S	.	.	H	α-helix	trans	-62.1	-41.6	175.6	-70	162.5	0	0	0	110.4	L105 L106 A240 S241 V247 Q248	L105-I244 HydrophobicContact CD2-CG1 4.13Å; L106-I244 HydrophobicContact CD1-CD1 3.98Å; L106-I244 HydrophobicContact CD2-CD1 3.25Å; L106-I244 HydrophobicContact CG-CD1 3.38Å; A240-I244 WeakPolarHBondContact O-CD1 3.42Å; A240-I244 VanDerWaalsContact O-CG1 3.28Å; A240-I244 WeakPolarHBondContact O-CG1 3.39Å; A240-I244 PolarHBondContact O-N 3.24Å; A240-I244 VanDerWaalsContact O-N 3.09Å; S241-I244 PolarHBondContact O-N 2.8Å; I244-V247 WeakPolarHBondContact O-CB 3.44Å; I244-V247 PolarHBondContact O-N 3.36Å; I244-Q248 WeakPolarHBondContact O-CG 3.49Å; I244-Q248 PolarHBondContact O-N 3.46Å; I244-Q248 VanDerWaalsContact O-N 3.09Å
245	H	73.6	Confident	73	Confident	41 Å²	41	60.9 Å²	60.9	19%	0.19	33%	0.332	C	S	.	.	H	α-helix	trans	-62.3	-46.7	174.9	-173.7	58.4	0	0	0	111.3	S241 V242 A243 V247 Q248 M249	S241-H245 WeakPolarHBondContact O-CB 3.48Å; S241-H245 PolarHBondContact O-N 2.93Å; V242-H245 PolarHBondContact O-N 3.29Å; A243-H245 VanDerWaalsContact C-N 3.28Å; A243-H245 PolarHBondContact O-N 3.49Å; H245-V247 VanDerWaalsContact C-N 3.29Å; H245-V247 PolarHBondContact O-N 3.18Å; H245-Q248 PolarHBondContact O-N 3.42Å; H245-Q248 VanDerWaalsContact O-N 3.14Å; H245-M249 VanDerWaalsContact O-CG 3.32Å; H245-M249 WeakPolarHBondContact O-CG 3.3Å; H245-M249 PolarHBondContact O-N 3.29Å
246	Q	72.6	Confident	72.7	Confident	113 Å²	113	63.8 Å²	63.8	53%	0.528	34%	0.336	S	S	.	.	H	α-helix	trans	-57.1	-41.5	177.1	-173.9	63.4	19.4	0	0	112	V242 A243 M249 C250	V242-Q246 WeakPolarHBondContact O-CB 3.43Å; V242-Q246 PolarHBondContact O-N 3.11Å; A243-Q246 PolarHBondContact O-N 2.95Å; Q246-M249 PolarHBondContact O-N 3.27Å; Q246-C250 PolarHBondContact NE2-SG 3.14Å; Q246-C250 VanDerWaalsContact NE2-SG 3.42Å; Q246-C250 WeakPolarHBondContact O-CB 3.39Å; Q246-C250 PolarHBondContact O-N 2.98Å; Q246-C250 PolarHBondContact O-SG 3.32Å
247	V	70.3	Confident	72.6	Confident	16 Å²	16	66.2 Å²	66.2	10%	0.097	35%	0.351	C	S	.	.	H	α-helix	trans	-61	-48.5	175.2	174.7	0	0	0	0	112.2	L96 A243 I244 H245 M249 C250 R251	L96-V247 HydrophobicContact CD2-CB 4.27Å; L96-V247 HydrophobicContact CD2-CG2 2.81Å; L96-V247 HydrophobicContact CG-CG2 4.28Å; A243-V247 VanDerWaalsContact O-CG2 3.27Å; A243-V247 WeakPolarHBondContact O-CG2 3.37Å; A243-V247 PolarHBondContact O-N 2.85Å; I244-V247 WeakPolarHBondContact O-CB 3.44Å; I244-V247 PolarHBondContact O-N 3.36Å; H245-V247 VanDerWaalsContact C-N 3.29Å; H245-V247 PolarHBondContact O-N 3.18Å; V247-M249 VanDerWaalsContact C-N 3.27Å; V247-M249 PolarHBondContact O-N 3Å; V247-C250 PolarHBondContact O-N 3.45Å; V247-R251 HydrophobicContact CG1-CG 4.34Å; V247-R251 WeakPolarHBondContact O-CB 3.35Å; V247-R251 WeakPolarHBondContact O-CG 3.48Å; V247-R251 PolarHBondContact O-N 3.35Å
248	Q	68.9	Low	72.4	Confident	87 Å²	87	71.4 Å²	71.4	41%	0.407	38%	0.375	S	S	.	.	H	α-helix	trans	-62.2	-41.5	-178.9	-73	175.2	-25.3	0	0	110.3	N102 I244 H245 G252	N102-Q248 PolarHBondContact ND2-NE2 3.46Å; I244-Q248 WeakPolarHBondContact O-CG 3.49Å; I244-Q248 PolarHBondContact O-N 3.46Å; I244-Q248 VanDerWaalsContact O-N 3.09Å; H245-Q248 PolarHBondContact O-N 3.42Å; H245-Q248 VanDerWaalsContact O-N 3.14Å; Q248-G252 PolarHBondContact O-N 2.64Å
249	M	69.8	Low	72.3	Confident	107 Å²	107	70.5 Å²	70.5	53%	0.527	36%	0.363	S	S	.	.	H	α-helix	trans	-65.7	-47.5	175.6	-67.2	-53	-62.1	0	0	112.2	H245 Q246 V247 R251 G252 L253	H245-M249 VanDerWaalsContact O-CG 3.32Å; H245-M249 WeakPolarHBondContact O-CG 3.3Å; H245-M249 PolarHBondContact O-N 3.29Å; Q246-M249 PolarHBondContact O-N 3.27Å; V247-M249 VanDerWaalsContact C-N 3.27Å; V247-M249 PolarHBondContact O-N 3Å; M249-R251 VanDerWaalsContact C-N 3.35Å; M249-R251 PolarHBondContact O-N 3.2Å; M249-G252 PolarHBondContact O-N 3.41Å; M249-L253 WeakPolarHBondContact O-CB 3.34Å; M249-L253 PolarHBondContact O-N 3.3Å
250	C	70.8	Confident	72.4	Confident	62 Å²	62	66.5 Å²	66.5	42%	0.419	35%	0.354	S	S	.	.	H	α-helix	trans	-60.8	-41.8	176.6	-73.8	0	0	0	0	112.1	Q246 V247 L253 A254	Q246-C250 PolarHBondContact NE2-SG 3.14Å; Q246-C250 VanDerWaalsContact NE2-SG 3.42Å; Q246-C250 WeakPolarHBondContact O-CB 3.39Å; Q246-C250 PolarHBondContact O-N 2.98Å; Q246-C250 PolarHBondContact O-SG 3.32Å; V247-C250 PolarHBondContact O-N 3.45Å; C250-L253 PolarHBondContact O-N 3.39Å; C250-A254 VanDerWaalsContact O-CB 3.31Å; C250-A254 WeakPolarHBondContact O-CB 3.21Å; C250-A254 PolarHBondContact O-N 2.63Å
251	R	68.8	Low	72.7	Confident	94 Å²	94	71.1 Å²	71.1	36%	0.355	38%	0.378	S	S	.	.	H	α-helix	trans	-65.2	-40	175.1	-74.5	-178.2	-176.4	170.2	7.7	112	G99 V247 M249 K255	G99-R251 VanDerWaalsContact C-NH2 3.31Å; G99-R251 VanDerWaalsContact CA-NH2 3.28Å; V247-R251 HydrophobicContact CG1-CG 4.34Å; V247-R251 WeakPolarHBondContact O-CB 3.35Å; V247-R251 WeakPolarHBondContact O-CG 3.48Å; V247-R251 PolarHBondContact O-N 3.35Å; M249-R251 VanDerWaalsContact C-N 3.35Å; M249-R251 PolarHBondContact O-N 3.2Å; R251-K255 WeakPolarHBondContact O-CG 3.39Å; R251-K255 PolarHBondContact O-N 3.48Å; R251-K255 VanDerWaalsContact O-N 3.13Å
252	G	69.8	Low	72.8	Confident	38 Å²	38	72 Å²	72	39%	0.392	38%	0.381	S	S	.	.	H	α-helix	trans	-62.3	-47.1	174.8	0	0	0	0	0	111.7	Q248 M249 K255 Q256	Q248-G252 PolarHBondContact O-N 2.64Å; M249-G252 PolarHBondContact O-N 3.41Å; G252-K255 PolarHBondContact O-N 3.19Å; G252-Q256 PolarHBondContact O-N 3.08Å
253	L	74.2	Confident	72.7	Confident	107 Å²	107	69.3 Å²	69.3	56%	0.56	36%	0.364	S	S	*	.	H	α-helix	trans	-63.8	-44.5	177.9	-171.8	67	0	0	0	111.7	M249 C250 K255 Q256 T257	M249-L253 WeakPolarHBondContact O-CB 3.34Å; M249-L253 PolarHBondContact O-N 3.3Å; C250-L253 PolarHBondContact O-N 3.39Å; L253-K255 VanDerWaalsContact C-N 3.35Å; L253-K255 PolarHBondContact O-N 3.43Å; L253-Q256 CarbonylContact O-C 3.42Å; L253-Q256 WeakPolarHBondContact O-CB 3.34Å; L253-Q256 PolarHBondContact O-N 3.14Å; L253-Q256 VanDerWaalsContact O-N 3.09Å; L253-T257 PolarHBondContact O-N 3.03Å; L253-T257 PolarHBondContact O-OG1 3.29Å; L253-T257 VanDerWaalsContact O-OG1 3.08Å
254	A	74	Confident	72.9	Confident	59 Å²	59	73.1 Å²	73.1	49%	0.488	38%	0.381	S	S	.	.	H	α-helix	trans	-58.7	-44.9	177.2	0	0	0	0	0	112.1	C250 Q256 T257 E258	C250-A254 VanDerWaalsContact O-CB 3.31Å; C250-A254 WeakPolarHBondContact O-CB 3.21Å; C250-A254 PolarHBondContact O-N 2.63Å; A254-Q256 VanDerWaalsContact C-N 3.3Å; A254-Q256 PolarHBondContact O-N 2.69Å; A254-T257 PolarHBondContact O-N 3.07Å; A254-E258 WeakPolarHBondContact O-CB 3.49Å; A254-E258 PolarHBondContact O-N 3.22Å
255	K	68.9	Low	72.9	Confident	153 Å²	153	77.1 Å²	77.1	67%	0.665	40%	0.403	S	S	*	.	H	α-helix	trans	-62	-37.7	174	-75.2	-178.8	176.9	-173.3	0	112.5	R251 G252 L253 L259	R251-K255 WeakPolarHBondContact O-CG 3.39Å; R251-K255 PolarHBondContact O-N 3.48Å; R251-K255 VanDerWaalsContact O-N 3.13Å; G252-K255 PolarHBondContact O-N 3.19Å; L253-K255 VanDerWaalsContact C-N 3.35Å; L253-K255 PolarHBondContact O-N 3.43Å; K255-L259 WeakPolarHBondContact O-CB 3.4Å; K255-L259 PolarHBondContact O-N 3.12Å; K255-L259 VanDerWaalsContact O-N 3.09Å
256	Q	72.9	Confident	72.8	Confident	113 Å²	113	75.6 Å²	75.6	53%	0.528	40%	0.396	S	S	.	.	H	α-helix	trans	-70.4	-38.4	177.7	-171.1	174.3	-2.1	0	0	111.9	G252 L253 A254 L259 N260	G252-Q256 PolarHBondContact O-N 3.08Å; L253-Q256 CarbonylContact O-C 3.42Å; L253-Q256 WeakPolarHBondContact O-CB 3.34Å; L253-Q256 PolarHBondContact O-N 3.14Å; L253-Q256 VanDerWaalsContact O-N 3.09Å; A254-Q256 VanDerWaalsContact C-N 3.3Å; A254-Q256 PolarHBondContact O-N 2.69Å; Q256-L259 PolarHBondContact O-N 2.69Å; Q256-N260 PolarHBondContact O-N 2.89Å; Q256-N260 PolarHBondContact O-ND2 3.36Å
257	T	76.4	Confident	72.7	Confident	64 Å²	64	72.7 Å²	72.7	39%	0.393	39%	0.388	S	S	.	.	H	α-helix	trans	-64.2	-46.6	173.8	-57.7	0	0	0	0	111	L253 A254 L259 N260 D261	L253-T257 PolarHBondContact O-N 3.03Å; L253-T257 PolarHBondContact O-OG1 3.29Å; L253-T257 VanDerWaalsContact O-OG1 3.08Å; A254-T257 PolarHBondContact O-N 3.07Å; T257-L259 VanDerWaalsContact C-N 3.28Å; T257-L259 PolarHBondContact O-N 3.02Å; T257-N260 PolarHBondContact O-N 3.08Å; T257-N260 VanDerWaalsContact O-N 3.09Å; T257-D261 PolarHBondContact O-N 3.34Å
258	E	75.4	Confident	72.7	Confident	118 Å²	118	78 Å²	78	55%	0.551	41%	0.41	S	S	*	.	H	α-helix	trans	-58	-41	176.5	-172.8	-175.8	178.6	0	0	112	A254 F262 Y287	A254-E258 WeakPolarHBondContact O-CB 3.49Å; A254-E258 PolarHBondContact O-N 3.22Å; E258-F262 WeakPolarHBondContact O-CB 3.33Å; E258-F262 PolarHBondContact O-N 3.28Å; E258-Y287 PolarHBondContact O-OH 2.89Å
259	L	73.5	Confident	72.6	Confident	34 Å²	34	75.8 Å²	75.8	18%	0.178	40%	0.402	C	S	.	.	H	α-helix	trans	-61.7	-49.3	173.3	178.4	64.7	0	0	0	111.3	K255 Q256 T257 D261 F262 L263 Y287 M413 F414	K255-L259 WeakPolarHBondContact O-CB 3.4Å; K255-L259 PolarHBondContact O-N 3.12Å; K255-L259 VanDerWaalsContact O-N 3.09Å; Q256-L259 PolarHBondContact O-N 2.69Å; T257-L259 VanDerWaalsContact C-N 3.28Å; T257-L259 PolarHBondContact O-N 3.02Å; L259-D261 PolarHBondContact O-N 3.24Å; L259-F262 PolarHBondContact O-N 3.05Å; L259-L263 HydrophobicContact CD1-CG 4.46Å; L259-L263 HydrophobicContact CG-CD1 4.45Å; L259-L263 VanDerWaalsContact O-CG 3.29Å; L259-L263 WeakPolarHBondContact O-CG 3.23Å; L259-L263 PolarHBondContact O-N 3.22Å; L259-Y287 WeakPolarHBondContact CA-OH 3.3Å; L259-Y287 HydrophobicContact CD1-CE1 4.21Å; L259-Y287 PolarHBondContact N-OH 3.42Å; L259-M413 HydrophobicContact CD1-SD 4.23Å; L259-M413 HydrophobicContact CD2-CE 4.16Å; L259-M413 HydrophobicContact CD2-SD 4.04Å; L259-M413 HydrophobicContact CG-SD 4.44Å; L259-F414 HydrophobicContact CD1-CE1 4.46Å; L259-F414 HydrophobicContact CD1-CE2 4.1Å; L259-F414 HydrophobicContact CD1-CZ 3.49Å; L259-F414 VanDerWaalsContact CD1-CZ 3.49Å
260	N	76.1	Confident	72.4	Confident	77 Å²	77	74.9 Å²	74.9	41%	0.412	39%	0.394	S	S	.	.	H	α-helix	trans	-63.2	-41.7	-179.4	-74.9	-23	0	0	0	112.4	Q256 T257 F262 L263 L264	Q256-N260 PolarHBondContact O-N 2.89Å; Q256-N260 PolarHBondContact O-ND2 3.36Å; T257-N260 PolarHBondContact O-N 3.08Å; T257-N260 VanDerWaalsContact O-N 3.09Å; N260-F262 VanDerWaalsContact C-N 3.33Å; N260-F262 PolarHBondContact O-N 3.02Å; N260-L263 PolarHBondContact O-N 3.15Å; N260-L264 WeakPolarHBondContact O-CG 3.4Å; N260-L264 PolarHBondContact O-N 3.25Å
261	D	79.8	Confident	72.1	Confident	97 Å²	97	78.9 Å²	78.9	52%	0.519	40%	0.404	S	S	.	.	H	α-helix	trans	-62.5	-42.8	177.4	-73.1	-19.5	0	0	0	110.8	T257 L259 L264 D265	T257-D261 PolarHBondContact O-N 3.34Å; L259-D261 PolarHBondContact O-N 3.24Å; D261-L264 PolarHBondContact O-N 2.89Å; D261-D265 WeakPolarHBondContact O-CB 3.31Å; D261-D265 PolarHBondContact O-N 2.97Å
262	F	74.9	Confident	71.9	Confident	25 Å²	25	79.9 Å²	79.9	11%	0.11	42%	0.416	C	S	.	.	H	α-helix	trans	-61	-45.7	173.7	177.9	-97.5	0	0	0	112.3	E258 L259 N260 L264 D265 V266 I284 Y287 F414	E258-F262 WeakPolarHBondContact O-CB 3.33Å; E258-F262 PolarHBondContact O-N 3.28Å; L259-F262 PolarHBondContact O-N 3.05Å; N260-F262 VanDerWaalsContact C-N 3.33Å; N260-F262 PolarHBondContact O-N 3.02Å; F262-L264 VanDerWaalsContact C-N 3.29Å; F262-L264 PolarHBondContact O-N 3.37Å; F262-D265 PolarHBondContact O-N 3.44Å; F262-V266 HydrophobicContact CD1-CG2 4.15Å; F262-V266 HydrophobicContact CE1-CG2 3.46Å; F262-V266 VanDerWaalsContact CE1-CG2 3.46Å; F262-V266 HydrophobicContact CE2-CG2 3.96Å; F262-V266 HydrophobicContact CZ-CG2 3.33Å; F262-V266 WeakPolarHBondContact O-CG2 3.21Å; F262-V266 PolarHBondContact O-N 3.29Å; F262-I284 HydrophobicContact CZ-CG1 4.34Å; F262-Y287 HydrophobicContact CB-CD2 3.94Å; F262-Y287 HydrophobicContact CB-CE1 4.2Å; F262-Y287 HydrophobicContact CB-CE2 3.52Å; F262-Y287 HydrophobicContact CB-CG 4.43Å; F262-Y287 AromaticContact CD1-CD1 3.62Å; F262-Y287 HydrophobicContact CD1-CD1 3.62Å; F262-Y287 HydrophobicContact CD1-CD2 4.08Å; F262-Y287 AromaticContact CD1-CE1 3.88Å; F262-Y287 HydrophobicContact CD1-CE1 3.88Å; F262-Y287 HydrophobicContact CD1-CE2 4.3Å; F262-Y287 AromaticContact CD1-CG 3.72Å; F262-Y287 HydrophobicContact CD1-CG 3.72Å; F262-Y287 HydrophobicContact CD2-CD1 4.21Å; F262-Y287 AromaticContact CD2-CD2 3.17Å; F262-Y287 HydrophobicContact CD2-CD2 3.17Å; F262-Y287 AromaticContact CD2-CE2 3.69Å; F262-Y287 HydrophobicContact CD2-CE2 3.69Å; F262-Y287 AromaticContact CD2-CG 3.45Å; F262-Y287 HydrophobicContact CD2-CG 3.45Å; F262-Y287 VanDerWaalsContact CD2-CG 3.45Å; F262-Y287 AromaticContact CE1-CD1 3.87Å; F262-Y287 HydrophobicContact CE1-CD1 3.87Å; F262-Y287 AromaticContact CE1-CG 3.83Å; F262-Y287 HydrophobicContact CE1-CG 3.83Å; F262-Y287 HydrophobicContact CE2-CD1 4.4Å; F262-Y287 AromaticContact CE2-CD2 3.68Å; F262-Y287 HydrophobicContact CE2-CD2 3.68Å; F262-Y287 AromaticContact CE2-CG 3.55Å; F262-Y287 HydrophobicContact CE2-CG 3.55Å; F262-Y287 AromaticContact CG-CD1 3.82Å; F262-Y287 HydrophobicContact CG-CD1 3.82Å; F262-Y287 AromaticContact CG-CD2 3.41Å; F262-Y287 HydrophobicContact CG-CD2 3.41Å; F262-Y287 VanDerWaalsContact CG-CD2 3.41Å; F262-Y287 AromaticContact CG-CE1 3.94Å; F262-Y287 HydrophobicContact CG-CE1 3.94Å; F262-Y287 AromaticContact CG-CE2 3.53Å; F262-Y287 HydrophobicContact CG-CE2 3.53Å; F262-Y287 AromaticContact CG-CG 3.55Å; F262-Y287 HydrophobicContact CG-CG 3.55Å; F262-Y287 AromaticContact CG-CZ 3.78Å; F262-Y287 VanDerWaalsContact CZ-CB 3.42Å; F262-Y287 HydrophobicContact CZ-CD1 4.26Å; F262-Y287 HydrophobicContact CZ-CD2 4.33Å; F262-Y287 AromaticContact CZ-CG 3.76Å; F262-Y287 HydrophobicContact CZ-CG 3.76Å; F262-F414 AromaticContact CD1-CE1 3.74Å; F262-F414 HydrophobicContact CD1-CE1 3.74Å; F262-F414 HydrophobicContact CE1-CD1 4.09Å; F262-F414 AromaticContact CE1-CE1 3.54Å; F262-F414 HydrophobicContact CE1-CE1 3.54Å
263	L	72.4	Confident	71.5	Confident	29 Å²	29	82.9 Å²	82.9	15%	0.152	42%	0.424	C	S	.	.	H	α-helix	trans	-61.6	-39.2	177.6	-68.1	-175.4	0	0	0	112.2	L259 N260 S267 M413 F417	L259-L263 HydrophobicContact CD1-CG 4.46Å; L259-L263 HydrophobicContact CG-CD1 4.45Å; L259-L263 VanDerWaalsContact O-CG 3.29Å; L259-L263 WeakPolarHBondContact O-CG 3.23Å; L259-L263 PolarHBondContact O-N 3.22Å; N260-L263 PolarHBondContact O-N 3.15Å; L263-S267 WeakPolarHBondContact O-CB 3.44Å; L263-S267 PolarHBondContact O-N 3.06Å; L263-M413 HydrophobicContact CD1-SD 3.93Å; L263-F417 HydrophobicContact CD1-CE2 4.3Å; L263-F417 HydrophobicContact CD1-CZ 4.27Å; L263-F417 HydrophobicContact CD2-CD2 3.75Å; L263-F417 HydrophobicContact CD2-CE1 4.23Å; L263-F417 HydrophobicContact CD2-CE2 3.2Å; L263-F417 HydrophobicContact CD2-CG 4.48Å; L263-F417 HydrophobicContact CD2-CZ 3.49Å; L263-F417 VanDerWaalsContact CD2-CZ 3.49Å; L263-F417 HydrophobicContact CG-CE2 4.32Å; L263-F417 HydrophobicContact CG-CZ 4.33Å
264	L	75.4	Confident	70.8	Confident	98 Å²	98	82.6 Å²	82.6	51%	0.513	42%	0.422	S	S	.	.	H	α-helix	trans	-66.1	-39	175.2	-73.1	172.1	0	0	0	111.6	N260 D261 F262 S267 K268	N260-L264 WeakPolarHBondContact O-CG 3.4Å; N260-L264 PolarHBondContact O-N 3.25Å; D261-L264 PolarHBondContact O-N 2.89Å; F262-L264 VanDerWaalsContact C-N 3.29Å; F262-L264 PolarHBondContact O-N 3.37Å; L264-S267 PolarHBondContact O-N 3.17Å; L264-K268 WeakPolarHBondContact O-CB 3.41Å; L264-K268 WeakPolarHBondContact O-CG 3.5Å; L264-K268 PolarHBondContact O-N 3.45Å
265	D	73.1	Confident	69.9	Low	88 Å²	88	85.4 Å²	85.4	47%	0.471	43%	0.432	S	S	.	.	H	α-helix	trans	-66.9	-42.3	177.5	-164.1	45.4	0	0	0	112.2	D261 F262 S267 K268 T269	D261-D265 WeakPolarHBondContact O-CB 3.31Å; D261-D265 PolarHBondContact O-N 2.97Å; F262-D265 PolarHBondContact O-N 3.44Å; D265-S267 VanDerWaalsContact C-N 3.32Å; D265-S267 PolarHBondContact O-N 2.94Å; D265-K268 PolarHBondContact O-N 3.25Å; D265-T269 WeakPolarHBondContact O-CB 3.36Å; D265-T269 PolarHBondContact O-N 3.47Å; D265-T269 PolarHBondContact O-OG1 3.33Å
266	V	70.7	Confident	69.6	Low	9 Å²	9	79.7 Å²	79.7	6%	0.055	41%	0.414	C	S	.	.	H	α-helix	trans	-58.4	-45	170.2	167.8	0	0	0	0	110.7	F262 Y270 L280 I284 F417	F262-V266 HydrophobicContact CD1-CG2 4.15Å; F262-V266 HydrophobicContact CE1-CG2 3.46Å; F262-V266 VanDerWaalsContact CE1-CG2 3.46Å; F262-V266 HydrophobicContact CE2-CG2 3.96Å; F262-V266 HydrophobicContact CZ-CG2 3.33Å; F262-V266 WeakPolarHBondContact O-CG2 3.21Å; F262-V266 PolarHBondContact O-N 3.29Å; V266-Y270 VanDerWaalsContact O-CB 3.27Å; V266-Y270 WeakPolarHBondContact O-CB 3.28Å; V266-Y270 PolarHBondContact O-N 2.92Å; V266-L280 HydrophobicContact CB-CD1 4.33Å; V266-L280 HydrophobicContact CG1-CD1 4.05Å; V266-L280 HydrophobicContact CG2-CD1 4.33Å; V266-I284 HydrophobicContact CG1-CD1 4.01Å; V266-I284 HydrophobicContact CG1-CG1 4.21Å; V266-I284 HydrophobicContact CG2-CG1 3.83Å; V266-F417 HydrophobicContact CG1-CD1 4.16Å
267	S	70.9	Confident	69.3	Low	51 Å²	51	75.1 Å²	75.1	36%	0.357	39%	0.393	S	S	.	.	H	α-helix	trans	-67	-39	178.9	-171.4	0	0	0	0	112.6	L263 L264 D265 Y270 F271	L263-S267 WeakPolarHBondContact O-CB 3.44Å; L263-S267 PolarHBondContact O-N 3.06Å; L264-S267 PolarHBondContact O-N 3.17Å; D265-S267 VanDerWaalsContact C-N 3.32Å; D265-S267 PolarHBondContact O-N 2.94Å; S267-Y270 WeakPolarHBondContact O-CB 3.38Å; S267-Y270 PolarHBondContact O-N 3.28Å; S267-F271 WeakPolarHBondContact O-CD2 3.29Å; S267-F271 PolarHBondContact O-N 3.39Å
268	K	70.6	Confident	68.9	Low	128 Å²	128	75.1 Å²	75.1	56%	0.557	39%	0.391	S	S	*	.	H	α-helix	trans	-66.4	-48.7	176.5	-77.2	175.1	-178.4	173.8	0	110.8	L264 D265 Y270 F271 D272	L264-K268 WeakPolarHBondContact O-CB 3.41Å; L264-K268 WeakPolarHBondContact O-CG 3.5Å; L264-K268 PolarHBondContact O-N 3.45Å; D265-K268 PolarHBondContact O-N 3.25Å; K268-Y270 PolarHBondContact O-N 3.26Å; K268-F271 PolarHBondContact O-N 3.1Å; K268-D272 WeakPolarHBondContact O-CB 3.4Å; K268-D272 VanDerWaalsContact O-CG 3.3Å; K268-D272 PolarHBondContact O-N 3.03Å
269	T	67.1	Low	68.8	Low	41 Å²	41	71.8 Å²	71.8	25%	0.252	38%	0.38	S	S	.	.	H	α-helix	trans	-57.6	-37.6	176.6	-55.4	0	0	0	0	111.6	D265 N273 L280	D265-T269 WeakPolarHBondContact O-CB 3.36Å; D265-T269 PolarHBondContact O-N 3.47Å; D265-T269 PolarHBondContact O-OG1 3.33Å; T269-N273 PolarHBondContact O-N 3.04Å; T269-L280 HydrophobicContact CG2-CB 4.33Å; T269-L280 HydrophobicContact CG2-CD1 3.87Å
270	Y	65.5	Low	68.9	Low	88 Å²	88	70.5 Å²	70.5	35%	0.345	37%	0.373	S	S	.	.	H	α-helix	trans	-59.5	-42.5	173.6	171.9	-87.1	0	0	0	113.3	V266 S267 K268 C424	V266-Y270 VanDerWaalsContact O-CB 3.27Å; V266-Y270 WeakPolarHBondContact O-CB 3.28Å; V266-Y270 PolarHBondContact O-N 2.92Å; S267-Y270 WeakPolarHBondContact O-CB 3.38Å; S267-Y270 PolarHBondContact O-N 3.28Å; K268-Y270 PolarHBondContact O-N 3.26Å; Y270-C424 HydrophobicContact CE2-CB 4.32Å; Y270-C424 WeakPolarHBondContact CE2-SG 3.48Å; Y270-C424 PolarHBondContact OH-SG 3.43Å
271	F	64.3	Low	69	Low	146 Å²	146	66.9 Å²	66.9	64%	0.64	35%	0.354	S	S	*	.	H	α-helix	trans	-84.3	-31.3	-178.9	-72.9	-65.8	0	0	0	113.5	S267 K268	S267-F271 WeakPolarHBondContact O-CD2 3.29Å; S267-F271 PolarHBondContact O-N 3.39Å; K268-F271 PolarHBondContact O-N 3.1Å
272	D	64.6	Low	68.9	Low	114 Å²	114	64.7 Å²	64.7	61%	0.61	34%	0.341	S	S	*	.	H	α-helix	trans	-86.7	-32.3	-170.2	-67.4	-20.5	0	0	0	113.1	K268	K268-D272 WeakPolarHBondContact O-CB 3.4Å; K268-D272 VanDerWaalsContact O-CG 3.3Å; K268-D272 PolarHBondContact O-N 3.03Å
273	N	61.1	Low	69	Low	102 Å²	102	68.1 Å²	68.1	55%	0.545	36%	0.357	S	S	.	.			trans	-141.6	83.3	-172.9	-78.4	-48.9	0	0	0	114	T269 V275 A276	T269-N273 PolarHBondContact O-N 3.04Å; N273-V275 PolarHBondContact O-N 3.2Å; N273-A276 HydrophobicContact CB-CB 4.06Å; N273-A276 PolarHBondContact O-N 3.28Å
274	I	58.4	Low	69.4	Low	101 Å²	101	66.7 Å²	66.7	52%	0.518	35%	0.349	S	S	.	.	G	3₁₀ helix	trans	-57.1	-23.8	174.3	-61.8	170.7	0	0	0	112.5	A276 I277 Y428	I274-A276 VanDerWaalsContact C-N 3.34Å; I274-I277 HydrophobicContact CG2-CD1 4.35Å; I274-I277 WeakPolarHBondContact O-CD1 3.43Å; I274-I277 VanDerWaalsContact O-CG1 3.27Å; I274-I277 WeakPolarHBondContact O-CG1 3.39Å; I274-Y428 HydrophobicContact CG2-CD2 3.5Å; I274-Y428 VanDerWaalsContact CG2-CD2 3.5Å; I274-Y428 HydrophobicContact CG2-CE2 3.92Å; I274-Y428 HydrophobicContact CG2-CG 4.09Å
275	V	56.8	Low	69.8	Low	117 Å²	117	62.2 Å²	62.2	71%	0.709	33%	0.326	S	S	*	.	G	3₁₀ helix	trans	-78.7	-16.8	-179	-176.5	0	0	0	0	112.6	N273	N273-V275 PolarHBondContact O-N 3.2Å
276	A	62.5	Low	70.2	Confident	34 Å²	34	59.9 Å²	59.9	28%	0.281	31%	0.313	S	S	.	.	G	3₁₀ helix	trans	-100.5	22.8	-174.1	0	0	0	0	0	114	N273 I274 D278 S279 L280	N273-A276 HydrophobicContact CB-CB 4.06Å; N273-A276 PolarHBondContact O-N 3.28Å; I274-A276 VanDerWaalsContact C-N 3.34Å; A276-D278 VanDerWaalsContact C-N 3.27Å; A276-D278 PolarHBondContact O-N 3.05Å; A276-S279 WeakPolarHBondContact O-CA 3.43Å; A276-S279 WeakPolarHBondContact O-CB 3.09Å; A276-S279 PolarHBondContact O-N 3.39Å; A276-L280 PolarHBondContact O-N 2.9Å
277	I	65.6	Low	70.6	Confident	17 Å²	17	61 Å²	61	9%	0.087	32%	0.316	C	S	.	.	H	α-helix	trans	-61.7	-33.5	-173.6	-64.9	165.5	0	0	0	112.6	I274 S279 L280 L281 A421 C424 A425	I274-I277 HydrophobicContact CG2-CD1 4.35Å; I274-I277 WeakPolarHBondContact O-CD1 3.43Å; I274-I277 VanDerWaalsContact O-CG1 3.27Å; I274-I277 WeakPolarHBondContact O-CG1 3.39Å; I277-S279 VanDerWaalsContact C-N 3.34Å; I277-S279 PolarHBondContact O-N 2.85Å; I277-L280 WeakPolarHBondContact O-CB 3.22Å; I277-L280 PolarHBondContact O-N 3.36Å; I277-L281 HydrophobicContact CG2-CD1 4.5Å; I277-L281 PolarHBondContact O-N 3.22Å; I277-A421 WeakPolarHBondContact CG2-O 3.24Å; I277-C424 HydrophobicContact CD1-CB 4.18Å; I277-A425 HydrophobicContact CB-CB 4.44Å; I277-A425 HydrophobicContact CG2-CB 3.58Å
278	D	68.4	Low	71.2	Confident	64 Å²	64	58.7 Å²	58.7	34%	0.342	30%	0.3	S	S	.	.	H	α-helix	trans	-58.9	-46.1	171.7	-73.8	-6.8	0	0	0	110.9	A276 L280 L281 E282 K328	A276-D278 VanDerWaalsContact C-N 3.27Å; A276-D278 PolarHBondContact O-N 3.05Å; D278-L280 VanDerWaalsContact C-N 3.35Å; D278-L280 PolarHBondContact O-N 3.2Å; D278-L281 PolarHBondContact O-N 2.99Å; D278-E282 WeakPolarHBondContact O-CG 3.41Å; D278-E282 PolarHBondContact O-N 3.13Å; D278-E282 VanDerWaalsContact O-N 3.12Å; D278-K328 IonicContact OD2-NZ 2.81Å; D278-K328 PolarHBondContact OD2-NZ 2.68Å
279	S	72.3	Confident	72	Confident	47 Å²	47	53 Å²	53	33%	0.329	28%	0.275	S	S	.	.	H	α-helix	trans	-67.4	-35	177.7	-172.3	0	0	0	0	112.1	A276 I277 E282 H283	A276-S279 WeakPolarHBondContact O-CA 3.43Å; A276-S279 WeakPolarHBondContact O-CB 3.09Å; A276-S279 PolarHBondContact O-N 3.39Å; I277-S279 VanDerWaalsContact C-N 3.34Å; I277-S279 PolarHBondContact O-N 2.85Å; S279-E282 WeakPolarHBondContact O-CB 3.26Å; S279-E282 PolarHBondContact O-N 3.36Å; S279-H283 PolarHBondContact O-N 3.27Å; S279-H283 PolarHBondContact O-ND1 2.76Å; S279-H283 PolarHBondContact OG-CE1 2.85Å
280	L	76.2	Confident	72.8	Confident	7 Å²	7	55.8 Å²	55.8	4%	0.037	29%	0.289	C	S	.	.	H	α-helix	trans	-62.9	-45.1	175.2	-178.9	59.6	0	0	0	111.5	V266 T269 A276 I277 D278 E282 H283 I284 A421	V266-L280 HydrophobicContact CB-CD1 4.33Å; V266-L280 HydrophobicContact CG1-CD1 4.05Å; V266-L280 HydrophobicContact CG2-CD1 4.33Å; T269-L280 HydrophobicContact CG2-CB 4.33Å; T269-L280 HydrophobicContact CG2-CD1 3.87Å; A276-L280 PolarHBondContact O-N 2.9Å; I277-L280 WeakPolarHBondContact O-CB 3.22Å; I277-L280 PolarHBondContact O-N 3.36Å; D278-L280 VanDerWaalsContact C-N 3.35Å; D278-L280 PolarHBondContact O-N 3.2Å; L280-E282 VanDerWaalsContact C-N 3.32Å; L280-E282 PolarHBondContact O-N 3.32Å; L280-H283 PolarHBondContact O-N 3.04Å; L280-I284 HydrophobicContact CD1-CD1 4.28Å; L280-I284 HydrophobicContact CD1-CG1 4.49Å; L280-I284 HydrophobicContact CG-CD1 4.02Å; L280-I284 VanDerWaalsContact O-CG1 3.29Å; L280-I284 WeakPolarHBondContact O-CG1 3.28Å; L280-I284 PolarHBondContact O-N 2.91Å; L280-A421 HydrophobicContact CD2-CB 4.21Å
281	L	78.1	Confident	73.6	Confident	2 Å²	2	54.5 Å²	54.5	1%	0.01	29%	0.288	C	S	.	.	H	α-helix	trans	-61.3	-41.6	176.6	-74.6	171	0	0	0	111.3	I277 D278 I284 M285 L299 L313 A421	I277-L281 HydrophobicContact CG2-CD1 4.5Å; I277-L281 PolarHBondContact O-N 3.22Å; D278-L281 PolarHBondContact O-N 2.99Å; L281-I284 PolarHBondContact O-N 3.26Å; L281-M285 WeakPolarHBondContact O-CB 3.16Å; L281-M285 WeakPolarHBondContact O-CG 3.49Å; L281-M285 PolarHBondContact O-N 2.86Å; L281-L299 HydrophobicContact CD1-CD2 4.16Å; L281-L299 HydrophobicContact CD2-CD2 4.04Å; L281-L299 HydrophobicContact CG-CD2 4.49Å; L281-L313 HydrophobicContact CB-CD1 3.78Å; L281-L313 HydrophobicContact CD1-CD1 3.92Å; L281-A421 HydrophobicContact CD2-CB 3.57Å; L281-A421 HydrophobicContact CG-CB 4.11Å
282	E	78.5	Confident	74.6	Confident	50 Å²	50	47.6 Å²	47.6	23%	0.234	26%	0.257	C	S	.	.	H	α-helix	trans	-57.9	-48.4	174.7	-69.7	174.4	-176.1	0	0	112.1	D278 S279 L280 I284 M285 I286 L313 F326	D278-E282 WeakPolarHBondContact O-CG 3.41Å; D278-E282 PolarHBondContact O-N 3.13Å; D278-E282 VanDerWaalsContact O-N 3.12Å; S279-E282 WeakPolarHBondContact O-CB 3.26Å; S279-E282 PolarHBondContact O-N 3.36Å; L280-E282 VanDerWaalsContact C-N 3.32Å; L280-E282 PolarHBondContact O-N 3.32Å; E282-I284 PolarHBondContact O-N 3Å; E282-M285 PolarHBondContact O-N 3.2Å; E282-I286 VanDerWaalsContact O-CG1 3.31Å; E282-I286 WeakPolarHBondContact O-CG1 3.43Å; E282-I286 PolarHBondContact O-N 2.92Å; E282-L313 HydrophobicContact CG-CD2 3.53Å; E282-F326 HydrophobicContact CB-CD2 3.67Å; E282-F326 HydrophobicContact CB-CE2 3.72Å; E282-F326 HydrophobicContact CG-CB 4.16Å; E282-F326 HydrophobicContact CG-CD2 3.5Å; E282-F326 VanDerWaalsContact CG-CD2 3.5Å; E282-F326 HydrophobicContact CG-CE2 3.98Å; E282-F326 HydrophobicContact CG-CG 3.92Å
283	H	77.6	Confident	75.7	Confident	97 Å²	97	45.5 Å²	45.5	45%	0.449	25%	0.247	S	C	.	.	H	α-helix	trans	-62.3	-41.9	178.6	-73.7	94.5	0	0	0	112.3	S279 L280 M285 I286 Y287	S279-H283 PolarHBondContact O-N 3.27Å; S279-H283 PolarHBondContact O-ND1 2.76Å; S279-H283 PolarHBondContact OG-CE1 2.85Å; L280-H283 PolarHBondContact O-N 3.04Å; H283-M285 VanDerWaalsContact C-N 3.34Å; H283-M285 PolarHBondContact O-N 2.72Å; H283-I286 PolarHBondContact O-N 2.94Å; H283-Y287 PolarHBondContact O-N 2.84Å
284	I	80.9	Confident	77	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-60.3	-45.4	175.2	-64.1	165.7	0	0	0	111.2	F262 V266 L280 L281 E282 A288 F414 F417 C418 A421	F262-I284 HydrophobicContact CZ-CG1 4.34Å; V266-I284 HydrophobicContact CG1-CD1 4.01Å; V266-I284 HydrophobicContact CG1-CG1 4.21Å; V266-I284 HydrophobicContact CG2-CG1 3.83Å; L280-I284 HydrophobicContact CD1-CD1 4.28Å; L280-I284 HydrophobicContact CD1-CG1 4.49Å; L280-I284 HydrophobicContact CG-CD1 4.02Å; L280-I284 VanDerWaalsContact O-CG1 3.29Å; L280-I284 WeakPolarHBondContact O-CG1 3.28Å; L280-I284 PolarHBondContact O-N 2.91Å; L281-I284 PolarHBondContact O-N 3.26Å; E282-I284 PolarHBondContact O-N 3Å; I284-A288 VanDerWaalsContact O-CB 3.29Å; I284-A288 WeakPolarHBondContact O-CB 3.3Å; I284-A288 PolarHBondContact O-N 3.36Å; I284-F414 HydrophobicContact CG2-CD1 4.37Å; I284-F417 HydrophobicContact CD1-CB 4.3Å; I284-C418 WeakPolarHBondContact CG2-SG 3.43Å; I284-A421 HydrophobicContact CD1-CB 4.18Å
285	M	82.8	Confident	78.3	Confident	3 Å²	3	39 Å²	39	2%	0.015	21%	0.213	C	C	.	.	H	α-helix	trans	-65.4	-42.1	-178.8	-73	-57	-51.6	0	0	112.3	L281 E282 H283 K289 C297 L299 F326 V392 M394	L281-M285 WeakPolarHBondContact O-CB 3.16Å; L281-M285 WeakPolarHBondContact O-CG 3.49Å; L281-M285 PolarHBondContact O-N 2.86Å; E282-M285 PolarHBondContact O-N 3.2Å; H283-M285 VanDerWaalsContact C-N 3.34Å; H283-M285 PolarHBondContact O-N 2.72Å; M285-K289 WeakPolarHBondContact O-CB 3.46Å; M285-K289 PolarHBondContact O-N 3.41Å; M285-C297 HydrophobicContact CE-CB 3.43Å; M285-C297 VanDerWaalsContact CE-CB 3.43Å; M285-C297 VanDerWaalsContact CE-SG 3.53Å; M285-L299 HydrophobicContact SD-CB 4.25Å; M285-F326 HydrophobicContact CB-CE1 4.44Å; M285-F326 HydrophobicContact CB-CZ 3.8Å; M285-V392 HydrophobicContact CE-CG2 3.43Å; M285-V392 VanDerWaalsContact CE-CG2 3.43Å; M285-V392 HydrophobicContact SD-CG2 3.36Å; M285-V392 WeakPolarHBondContact SD-CG2 3.47Å; M285-M394 HydrophobicContact CE-CE 4.02Å
286	I	80.8	Confident	79.7	Confident	39 Å²	39	35.9 Å²	35.9	20%	0.2	19%	0.189	C	C	.	.	H	α-helix	trans	-63.6	-48	177.6	-69	163.2	0	0	0	111.2	E282 H283 A288 K289 N290 P324 F326	E282-I286 VanDerWaalsContact O-CG1 3.31Å; E282-I286 WeakPolarHBondContact O-CG1 3.43Å; E282-I286 PolarHBondContact O-N 2.92Å; H283-I286 PolarHBondContact O-N 2.94Å; I286-A288 VanDerWaalsContact C-N 3.35Å; I286-A288 PolarHBondContact O-N 3.34Å; I286-K289 WeakPolarHBondContact O-CB 3.32Å; I286-K289 PolarHBondContact O-N 3.26Å; I286-N290 PolarHBondContact O-N 3.06Å; I286-P324 HydrophobicContact CB-CG 4.3Å; I286-P324 HydrophobicContact CD1-CG 3.65Å; I286-P324 HydrophobicContact CG1-CB 4.34Å; I286-P324 HydrophobicContact CG1-CG 3.53Å; I286-P324 HydrophobicContact CG2-CG 3.81Å; I286-F326 HydrophobicContact CD1-CD2 4.31Å; I286-F326 HydrophobicContact CD1-CE2 3.6Å; I286-F326 HydrophobicContact CG1-CE2 3.49Å; I286-F326 VanDerWaalsContact CG1-CE2 3.49Å; I286-F326 HydrophobicContact CG1-CZ 3.96Å
287	Y	79.9	Confident	80.8	Confident	33 Å²	33	34.3 Å²	34.3	13%	0.129	18%	0.176	C	C	.	.	H	α-helix	trans	-63.3	-45	-179.1	-170.5	-83.4	0	0	0	111.1	E258 L259 F262 H283 K289 N290 L291 F414	E258-Y287 PolarHBondContact O-OH 2.89Å; L259-Y287 WeakPolarHBondContact CA-OH 3.3Å; L259-Y287 HydrophobicContact CD1-CE1 4.21Å; L259-Y287 PolarHBondContact N-OH 3.42Å; F262-Y287 HydrophobicContact CB-CD2 3.94Å; F262-Y287 HydrophobicContact CB-CE1 4.2Å; F262-Y287 HydrophobicContact CB-CE2 3.52Å; F262-Y287 HydrophobicContact CB-CG 4.43Å; F262-Y287 AromaticContact CD1-CD1 3.62Å; F262-Y287 HydrophobicContact CD1-CD1 3.62Å; F262-Y287 HydrophobicContact CD1-CD2 4.08Å; F262-Y287 AromaticContact CD1-CE1 3.88Å; F262-Y287 HydrophobicContact CD1-CE1 3.88Å; F262-Y287 HydrophobicContact CD1-CE2 4.3Å; F262-Y287 AromaticContact CD1-CG 3.72Å; F262-Y287 HydrophobicContact CD1-CG 3.72Å; F262-Y287 HydrophobicContact CD2-CD1 4.21Å; F262-Y287 AromaticContact CD2-CD2 3.17Å; F262-Y287 HydrophobicContact CD2-CD2 3.17Å; F262-Y287 AromaticContact CD2-CE2 3.69Å; F262-Y287 HydrophobicContact CD2-CE2 3.69Å; F262-Y287 AromaticContact CD2-CG 3.45Å; F262-Y287 HydrophobicContact CD2-CG 3.45Å; F262-Y287 VanDerWaalsContact CD2-CG 3.45Å; F262-Y287 AromaticContact CE1-CD1 3.87Å; F262-Y287 HydrophobicContact CE1-CD1 3.87Å; F262-Y287 AromaticContact CE1-CG 3.83Å; F262-Y287 HydrophobicContact CE1-CG 3.83Å; F262-Y287 HydrophobicContact CE2-CD1 4.4Å; F262-Y287 AromaticContact CE2-CD2 3.68Å; F262-Y287 HydrophobicContact CE2-CD2 3.68Å; F262-Y287 AromaticContact CE2-CG 3.55Å; F262-Y287 HydrophobicContact CE2-CG 3.55Å; F262-Y287 AromaticContact CG-CD1 3.82Å; F262-Y287 HydrophobicContact CG-CD1 3.82Å; F262-Y287 AromaticContact CG-CD2 3.41Å; F262-Y287 HydrophobicContact CG-CD2 3.41Å; F262-Y287 VanDerWaalsContact CG-CD2 3.41Å; F262-Y287 AromaticContact CG-CE1 3.94Å; F262-Y287 HydrophobicContact CG-CE1 3.94Å; F262-Y287 AromaticContact CG-CE2 3.53Å; F262-Y287 HydrophobicContact CG-CE2 3.53Å; F262-Y287 AromaticContact CG-CG 3.55Å; F262-Y287 HydrophobicContact CG-CG 3.55Å; F262-Y287 AromaticContact CG-CZ 3.78Å; F262-Y287 VanDerWaalsContact CZ-CB 3.42Å; F262-Y287 HydrophobicContact CZ-CD1 4.26Å; F262-Y287 HydrophobicContact CZ-CD2 4.33Å; F262-Y287 AromaticContact CZ-CG 3.76Å; F262-Y287 HydrophobicContact CZ-CG 3.76Å; H283-Y287 PolarHBondContact O-N 2.84Å; Y287-K289 VanDerWaalsContact C-N 3.31Å; Y287-K289 PolarHBondContact O-N 2.91Å; Y287-N290 PolarHBondContact O-N 3.04Å; Y287-L291 WeakPolarHBondContact O-CB 3.36Å; Y287-L291 PolarHBondContact O-N 3.24Å; Y287-F414 HydrophobicContact CD1-CD1 4.38Å; Y287-F414 AromaticContact CD1-CE1 3.36Å; Y287-F414 HydrophobicContact CD1-CE1 3.36Å; Y287-F414 AromaticContact CD1-CZ 3.55Å; Y287-F414 HydrophobicContact CD1-CZ 3.55Å; Y287-F414 AromaticContact CE1-CE1 3.79Å; Y287-F414 HydrophobicContact CE1-CE1 3.79Å; Y287-F414 AromaticContact CE1-CZ 3.54Å; Y287-F414 HydrophobicContact CE1-CZ 3.54Å; Y287-F414 HydrophobicContact CG-CE1 4.41Å
288	A	84.1	Confident	81.8	Confident	2 Å²	2	33.7 Å²	33.7	2%	0.017	17%	0.173	C	C	.	.	H	α-helix	trans	-60.3	-41.1	177.3	0	0	0	0	0	111.8	I284 I286 L291 V292 M394 F411 F414	I284-A288 VanDerWaalsContact O-CB 3.29Å; I284-A288 WeakPolarHBondContact O-CB 3.3Å; I284-A288 PolarHBondContact O-N 3.36Å; I286-A288 VanDerWaalsContact C-N 3.35Å; I286-A288 PolarHBondContact O-N 3.34Å; A288-L291 PolarHBondContact O-N 3.37Å; A288-V292 WeakPolarHBondContact O-CG2 3.19Å; A288-V292 PolarHBondContact O-N 2.96Å; A288-V292 VanDerWaalsContact O-N 3.15Å; A288-M394 HydrophobicContact CB-CE 3.45Å; A288-M394 VanDerWaalsContact CB-CE 3.45Å; A288-F411 HydrophobicContact CB-CD2 4.17Å; A288-F411 HydrophobicContact CB-CE2 4.11Å; A288-F414 HydrophobicContact CB-CB 4.06Å; A288-F414 HydrophobicContact CB-CD1 4.14Å; A288-F414 HydrophobicContact CB-CG 3.94Å
289	K	86.8	Confident	82.7	Confident	8 Å²	8	30.8 Å²	30.8	4%	0.035	16%	0.157	C	C	.	.	H	α-helix	trans	-56.9	-49.2	174.4	-175.5	-176.2	85.2	165.4	0	111.9	M285 I286 Y287 N293 A294 D295 C297 D315 M394	M285-K289 WeakPolarHBondContact O-CB 3.46Å; M285-K289 PolarHBondContact O-N 3.41Å; I286-K289 WeakPolarHBondContact O-CB 3.32Å; I286-K289 PolarHBondContact O-N 3.26Å; Y287-K289 VanDerWaalsContact C-N 3.31Å; Y287-K289 PolarHBondContact O-N 2.91Å; K289-N293 PolarHBondContact O-N 3.03Å; K289-A294 HydrophobicContact CG-CB 4.09Å; K289-A294 WeakPolarHBondContact CG-O 3.45Å; K289-A294 PolarHBondContact O-N 2.81Å; K289-D295 PolarHBondContact NZ-O 3.42Å; K289-C297 HydrophobicContact CB-CB 4.24Å; K289-C297 HydrophobicContact CG-CB 4.48Å; K289-D315 WeakPolarHBondContact CD-OD2 3.24Å; K289-D315 IonicContact NZ-OD2 3.37Å; K289-D315 PolarHBondContact NZ-OD2 3.48Å; K289-M394 HydrophobicContact CB-SD 4.17Å
290	N	83.8	Confident	83.5	Confident	100 Å²	100	29 Å²	29	54%	0.535	14%	0.144	S	C	.	.	H	α-helix	trans	-66.4	-41.4	-178.6	-67.9	-14.9	0	0	0	111.7	I286 Y287 V292 N293	I286-N290 PolarHBondContact O-N 3.06Å; Y287-N290 PolarHBondContact O-N 3.04Å; N290-V292 PolarHBondContact O-N 2.87Å; N290-N293 PolarHBondContact O-N 3.13Å
291	L	82	Confident	84.1	Confident	61 Å²	61	30.1 Å²	30.1	32%	0.319	15%	0.149	S	C	.	.	H	α-helix	trans	-61.2	-43.6	179.6	-178.2	66.8	0	0	0	112.5	Y287 A288 N293 N410 F414	Y287-L291 WeakPolarHBondContact O-CB 3.36Å; Y287-L291 PolarHBondContact O-N 3.24Å; A288-L291 PolarHBondContact O-N 3.37Å; L291-N293 VanDerWaalsContact C-N 3.28Å; L291-N410 HydrophobicContact CD2-CB 3.93Å; L291-N410 HydrophobicContact CG-CB 4.36Å; L291-F414 HydrophobicContact CD2-CD2 4.07Å; L291-F414 HydrophobicContact CD2-CE2 3.17Å; L291-F414 HydrophobicContact CD2-CZ 3.65Å
292	V	86	Confident	84.7	Confident	1 Å²	1	30.8 Å²	30.8	1%	0.006	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.7	8.4	174.9	-56.1	0	0	0	0	112.9	A288 N290 A294 M394 K397 F403 D407 F411	A288-V292 WeakPolarHBondContact O-CG2 3.19Å; A288-V292 PolarHBondContact O-N 2.96Å; A288-V292 VanDerWaalsContact O-N 3.15Å; N290-V292 PolarHBondContact O-N 2.87Å; V292-A294 HydrophobicContact CG2-CB 3.84Å; V292-A294 PolarHBondContact O-N 3.28Å; V292-M394 HydrophobicContact CG2-CB 4.1Å; V292-M394 HydrophobicContact CG2-CG 3.78Å; V292-M394 HydrophobicContact CG2-SD 4.16Å; V292-K397 WeakPolarHBondContact O-CD 3.15Å; V292-K397 VanDerWaalsContact O-CE 3.25Å; V292-K397 WeakPolarHBondContact O-CE 3.23Å; V292-K397 PolarHBondContact O-NZ 2.94Å; V292-F403 HydrophobicContact CB-CD1 4.43Å; V292-F403 HydrophobicContact CB-CE1 4.26Å; V292-F403 HydrophobicContact CG2-CE1 3.98Å; V292-D407 HydrophobicContact CB-CB 4.33Å; V292-D407 HydrophobicContact CG1-CB 4.12Å; V292-F411 HydrophobicContact CG1-CB 3.98Å
293	N	86.6	Confident	85.2	Confident	71 Å²	71	29.9 Å²	29.9	38%	0.38	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.4	46.6	178.3	-163.3	33.5	0	0	0	112.6	K289 N290 L291 K397 L398	K289-N293 PolarHBondContact O-N 3.03Å; N290-N293 PolarHBondContact O-N 3.13Å; L291-N293 VanDerWaalsContact C-N 3.28Å; N293-K397 HydrophobicContact CB-CD 4.49Å; N293-L398 PolarHBondContact O-N 3.49Å; N293-L398 WeakPolarHBondContact OD1-CD1 3.38Å
294	A	88.3	Confident	85.6	Confident	3 Å²	3	30.3 Å²	30.3	3%	0.025	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	153.4	177.2	0	0	0	0	0	111.2	K289 V292 M394 N396 F403	K289-A294 HydrophobicContact CG-CB 4.09Å; K289-A294 WeakPolarHBondContact CG-O 3.45Å; K289-A294 PolarHBondContact O-N 2.81Å; V292-A294 HydrophobicContact CG2-CB 3.84Å; V292-A294 PolarHBondContact O-N 3.28Å; A294-M394 HydrophobicContact CB-CB 4.03Å; A294-M394 HydrophobicContact CB-SD 4.27Å; A294-N396 CarbonylContact C-O 3.32Å; A294-N396 WeakPolarHBondContact CA-O 3.35Å; A294-F403 HydrophobicContact CB-CE1 4.05Å; A294-F403 HydrophobicContact CB-CZ 3.99Å
295	D	86.3	Confident	85.9	Confident	62 Å²	62	35.6 Å²	35.6	33%	0.332	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	-45.7	177.7	-176.3	24.5	0	0	0	111	K289 Y372 V395 N396 L398	K289-D295 PolarHBondContact NZ-O 3.42Å; D295-Y372 WeakPolarHBondContact OD2-CE2 3.29Å; D295-Y372 PolarHBondContact OD2-OH 3.04Å; D295-V395 PolarHBondContact N-O 2.83Å; D295-V395 VanDerWaalsContact N-O 3.12Å; D295-N396 HydrophobicContact CB-CB 3.81Å; D295-N396 WeakPolarHBondContact CB-O 3.22Å; D295-N396 PolarHBondContact N-O 3.37Å; D295-L398 HydrophobicContact CB-CD2 3.91Å
296	R	85.9	Confident	86.3	Confident	53 Å²	53	40.3 Å²	40.3	20%	0.2	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	159.9	-179	-64.1	-172.2	-177.8	-168.6	-1.8	112.8	Y372 V395	R296-Y372 HydrophobicContact CG-CE2 4.42Å; R296-Y372 VanDerWaalsContact NE-CE2 3.27Å; R296-V395 HydrophobicContact CB-CB 4.32Å; R296-V395 PolarHBondContact N-O 3.45Å; R296-V395 VanDerWaalsContact N-O 3.15Å; R296-V395 PolarHBondContact O-N 2.7Å
297	C	87.1	Confident	86.7	Confident	1 Å²	1	45.1 Å²	45.1	1%	0.007	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	151.4	174.5	71.2	0	0	0	0	111.9	M285 K289 D315 Q393 M394	M285-C297 HydrophobicContact CE-CB 3.43Å; M285-C297 VanDerWaalsContact CE-CB 3.43Å; M285-C297 VanDerWaalsContact CE-SG 3.53Å; K289-C297 HydrophobicContact CB-CB 4.24Å; K289-C297 HydrophobicContact CG-CB 4.48Å; C297-D315 WeakPolarHBondContact O-CB 3.48Å; C297-D315 PolarHBondContact O-N 2.92Å; C297-Q393 CarbonylContact C-O 3.58Å; C297-Q393 VanDerWaalsContact CA-O 3.24Å; C297-Q393 WeakPolarHBondContact CA-O 3.25Å; C297-M394 HydrophobicContact CB-CE 3.85Å; C297-M394 HydrophobicContact CB-SD 3.42Å; C297-M394 WeakPolarHBondContact CB-SD 3.49Å
298	A	86.6	Confident	87.3	Confident	3 Å²	3	46.2 Å²	46.2	3%	0.025	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	144.5	179.2	0	0	0	0	0	111.1	F300 F314 V392 Q393	A298-F300 HydrophobicContact CB-CE2 3.79Å; A298-F300 HydrophobicContact CB-CZ 4.05Å; A298-F314 HydrophobicContact CB-CD2 3.72Å; A298-F314 HydrophobicContact CB-CE2 4Å; A298-V392 WeakPolarHBondContact O-CA 3.26Å; A298-Q393 PolarHBondContact N-O 3.38Å; A298-Q393 PolarHBondContact O-N 3.21Å
299	L	87.3	Confident	87.5	Confident	3 Å²	3	46.1 Å²	46.1	2%	0.016	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	114.5	176.5	175.9	67.9	0	0	0	109.8	L281 M285 S311 L313 I382 V392	L281-L299 HydrophobicContact CD1-CD2 4.16Å; L281-L299 HydrophobicContact CD2-CD2 4.04Å; L281-L299 HydrophobicContact CG-CD2 4.49Å; M285-L299 HydrophobicContact SD-CB 4.25Å; L299-S311 WeakPolarHBondContact O-CB 3.47Å; L299-S311 PolarHBondContact O-OG 3.32Å; L299-S311 VanDerWaalsContact O-OG 3.1Å; L299-L313 HydrophobicContact CD2-CD1 4.09Å; L299-L313 PolarHBondContact N-O 3.04Å; L299-I382 HydrophobicContact CD1-CD1 3.18Å; L299-V392 HydrophobicContact CD1-CB 4.33Å
300	F	88.4	Confident	87.6	Confident	11 Å²	11	47.9 Å²	47.9	5%	0.048	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	130.3	175.2	-59.4	-78	0	0	0	110.5	A298 L309 Y310 S311 I332 F334 A341 G390 V391	A298-F300 HydrophobicContact CB-CE2 3.79Å; A298-F300 HydrophobicContact CB-CZ 4.05Å; F300-L309 HydrophobicContact CB-CB 4.3Å; F300-L309 HydrophobicContact CB-CD2 4.33Å; F300-Y310 CarbonylContact C-O 3.55Å; F300-Y310 WeakPolarHBondContact CA-O 3.36Å; F300-S311 VanDerWaalsContact CD1-CB 3.41Å; F300-I332 HydrophobicContact CE1-CG2 4.43Å; F300-F334 AromaticContact CD1-CE1 3.71Å; F300-F334 HydrophobicContact CD1-CE1 3.71Å; F300-F334 HydrophobicContact CD1-CZ 4.03Å; F300-F334 AromaticContact CE1-CE1 3.5Å; F300-F334 HydrophobicContact CE1-CE1 3.5Å; F300-F334 HydrophobicContact CE1-CZ 4.03Å; F300-F334 HydrophobicContact CG-CE1 4.48Å; F300-F334 HydrophobicContact CG-CZ 4.37Å; F300-F334 HydrophobicContact CZ-CE1 4.08Å; F300-F334 HydrophobicContact CZ-CZ 4.3Å; F300-A341 HydrophobicContact CD2-CB 4.07Å; F300-A341 HydrophobicContact CE2-CB 4.37Å; F300-G390 CarbonylContact O-C 3.48Å; F300-G390 WeakPolarHBondContact O-CA 3.42Å; F300-V391 PolarHBondContact N-O 2.9Å; F300-V391 PolarHBondContact O-N 3.15Å
301	Q	88.7	Confident	87.4	Confident	30 Å²	30	43.3 Å²	43.3	14%	0.14	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	147	170.9	-61.1	-176.2	39.3	0	0	110	L309 Y310 L422	Q301-L309 WeakPolarHBondContact O-CA 3.35Å; Q301-Y310 HydrophobicContact CB-CD1 4.22Å; Q301-Y310 HydrophobicContact CB-CD2 4.4Å; Q301-Y310 HydrophobicContact CB-CE1 3.69Å; Q301-Y310 HydrophobicContact CB-CE2 3.87Å; Q301-Y310 VanDerWaalsContact CB-CZ 3.49Å; Q301-Y310 HydrophobicContact CG-CE2 4.33Å; Q301-Y310 PolarHBondContact N-O 3.48Å; Q301-Y310 PolarHBondContact O-N 3.14Å; Q301-Y310 PolarHBondContact OE1-OH 3.14Å; Q301-L422 VanDerWaalsContact CD-CD1 3.46Å; Q301-L422 HydrophobicContact CG-CD1 3.82Å; Q301-L422 HydrophobicContact CG-CD2 4.12Å
302	V	89.8	Confident	86.9	Confident	16 Å²	16	43.5 Å²	43.5	10%	0.097	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	118.7	179.9	-176.5	0	0	0	0	110.2	H304 L309 I336 A345 V388 I389	V302-H304 WeakPolarHBondContact CG1-NE2 3.43Å; V302-L309 HydrophobicContact CB-CD2 4.32Å; V302-L309 HydrophobicContact CG2-CD2 3.63Å; V302-I336 HydrophobicContact CG1-CD1 3.91Å; V302-A345 HydrophobicContact CG2-CB 4.27Å; V302-V388 HydrophobicContact CG2-CG1 4.35Å; V302-I389 PolarHBondContact N-O 2.82Å
303	D	89	Confident	86.1	Confident	30 Å²	30	44 Å²	44	16%	0.16	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	96.8	165.7	-174.9	-12.9	0	0	0	109.5	S305 N306 K307 E308 Y310 R333	D303-S305 PolarHBondContact O-N 3.33Å; D303-S305 WeakPolarHBondContact OD1-CB 3.31Å; D303-S305 PolarHBondContact OD1-N 3.09Å; D303-N306 PolarHBondContact OD1-N 3.28Å; D303-N306 VanDerWaalsContact OD1-N 3.16Å; D303-N306 PolarHBondContact OD2-ND2 2.97Å; D303-K307 WeakPolarHBondContact O-CA 3.27Å; D303-K307 PolarHBondContact O-N 2.84Å; D303-E308 PolarHBondContact N-O 3.25Å; D303-E308 PolarHBondContact O-N 2.93Å; D303-E308 VanDerWaalsContact O-N 3.14Å; D303-Y310 HydrophobicContact CB-CD1 4.12Å; D303-Y310 HydrophobicContact CB-CE1 4.04Å; D303-R333 IonicContact OD2-NH1 2.78Å
304	H	86.3	Confident	85.2	Confident	107 Å²	107	42 Å²	42	50%	0.495	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-24.8	178.5	-73.6	-72.4	0	0	0	113.3	V302 V388	V302-H304 WeakPolarHBondContact CG1-NE2 3.43Å; H304-V388 PolarHBondContact NE2-O 3.46Å
305	S	88.5	Confident	84.2	Confident	111 Å²	111	41.9 Å²	41.9	78%	0.776	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.2	-44.2	-177.5	-50.1	0	0	0	0	110.7	D303	D303-S305 PolarHBondContact O-N 3.33Å; D303-S305 WeakPolarHBondContact OD1-CB 3.31Å; D303-S305 PolarHBondContact OD1-N 3.09Å
306	N	89.8	Confident	83	Confident	101 Å²	101	42 Å²	42	54%	0.54	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.6	-6.8	-179.4	-63.9	-48	0	0	0	113.7	D303 E308	D303-N306 PolarHBondContact OD1-N 3.28Å; D303-N306 VanDerWaalsContact OD1-N 3.16Å; D303-N306 PolarHBondContact OD2-ND2 2.97Å; N306-E308 HydrophobicContact CB-CG 4.18Å
307	K	90.3	Very high	81.9	Confident	141 Å²	141	40.4 Å²	40.4	61%	0.613	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	58	45.3	-173.5	-58.6	-176.7	178	-178.6	0	112.5	D303 I336	D303-K307 WeakPolarHBondContact O-CA 3.27Å; D303-K307 PolarHBondContact O-N 2.84Å; K307-I336 HydrophobicContact CB-CG2 4.02Å; K307-I336 WeakPolarHBondContact O-CB 3.29Å; K307-I336 WeakPolarHBondContact O-CG2 3.48Å; K307-I336 PolarHBondContact O-N 3.5Å
308	E	91.9	Very high	80.4	Confident	56 Å²	56	46.9 Å²	46.9	26%	0.262	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	155	-177	-65.6	-176.7	139.2	0	0	111.6	D303 N306 R333 F334	D303-E308 PolarHBondContact N-O 3.25Å; D303-E308 PolarHBondContact O-N 2.93Å; D303-E308 VanDerWaalsContact O-N 3.14Å; N306-E308 HydrophobicContact CB-CG 4.18Å; E308-R333 HydrophobicContact CB-CG 4.28Å; E308-R333 VanDerWaalsContact OE2-CD 3.22Å; E308-R333 WeakPolarHBondContact OE2-CD 3.44Å; E308-R333 IonicContact OE2-CZ 3.42Å; E308-R333 IonicContact OE2-NE 3.59Å; E308-R333 IonicContact OE2-NH1 3.47Å; E308-R333 PolarHBondContact OE2-NH1 3.07Å; E308-F334 CarbonylContact C-O 3.3Å; E308-F334 WeakPolarHBondContact CA-O 3.46Å
309	L	89.1	Confident	78.8	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	132.3	165.2	-70.1	174.7	0	0	0	108.2	F300 Q301 V302 R333 F334 I336 A341 A345	F300-L309 HydrophobicContact CB-CB 4.3Å; F300-L309 HydrophobicContact CB-CD2 4.33Å; Q301-L309 WeakPolarHBondContact O-CA 3.35Å; V302-L309 HydrophobicContact CB-CD2 4.32Å; V302-L309 HydrophobicContact CG2-CD2 3.63Å; L309-R333 CarbonylContact O-C 3.59Å; L309-R333 VanDerWaalsContact O-CA 3.3Å; L309-R333 WeakPolarHBondContact O-CA 3.27Å; L309-F334 HydrophobicContact CB-CD2 4.37Å; L309-F334 HydrophobicContact CB-CE1 4.27Å; L309-F334 HydrophobicContact CB-CE2 3.98Å; L309-F334 HydrophobicContact CB-CZ 3.91Å; L309-F334 HydrophobicContact CD1-CD2 4.49Å; L309-F334 HydrophobicContact CD1-CE2 3.61Å; L309-F334 HydrophobicContact CD1-CZ 3.9Å; L309-F334 HydrophobicContact CG-CE2 4.38Å; L309-F334 PolarHBondContact N-O 3.42Å; L309-F334 PolarHBondContact O-N 2.96Å; L309-I336 HydrophobicContact CG-CG1 4.28Å; L309-A341 HydrophobicContact CD1-CB 4.06Å; L309-A345 HydrophobicContact CD1-CB 4.34Å; L309-A345 HydrophobicContact CD2-CB 4.04Å
310	Y	87.3	Confident	76.7	Confident	45 Å²	45	63 Å²	63	18%	0.176	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	150.8	176.1	70	-83.9	0	0	0	111.9	F300 Q301 D303 E331 I332	F300-Y310 CarbonylContact C-O 3.55Å; F300-Y310 WeakPolarHBondContact CA-O 3.36Å; Q301-Y310 HydrophobicContact CB-CD1 4.22Å; Q301-Y310 HydrophobicContact CB-CD2 4.4Å; Q301-Y310 HydrophobicContact CB-CE1 3.69Å; Q301-Y310 HydrophobicContact CB-CE2 3.87Å; Q301-Y310 VanDerWaalsContact CB-CZ 3.49Å; Q301-Y310 HydrophobicContact CG-CE2 4.33Å; Q301-Y310 PolarHBondContact N-O 3.48Å; Q301-Y310 PolarHBondContact O-N 3.14Å; Q301-Y310 PolarHBondContact OE1-OH 3.14Å; D303-Y310 HydrophobicContact CB-CD1 4.12Å; D303-Y310 HydrophobicContact CB-CE1 4.04Å; Y310-E331 HydrophobicContact CD2-CG 4.48Å; Y310-E331 WeakPolarHBondContact CD2-OE1 3.49Å; Y310-I332 CarbonylContact C-O 3.58Å; Y310-I332 WeakPolarHBondContact CA-O 3.42Å
311	S	80.9	Confident	74.8	Confident	3 Å²	3	70.7 Å²	70.7	2%	0.021	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	125.5	179.4	166.2	0	0	0	0	111.3	L299 F300 L313 I332	L299-S311 WeakPolarHBondContact O-CB 3.47Å; L299-S311 PolarHBondContact O-OG 3.32Å; L299-S311 VanDerWaalsContact O-OG 3.1Å; F300-S311 VanDerWaalsContact CD1-CB 3.41Å; S311-L313 PolarHBondContact OG-N 3.22Å; S311-L313 PolarHBondContact OG-O 3.48Å; S311-I332 PolarHBondContact N-O 3.37Å; S311-I332 PolarHBondContact O-N 3.45Å; S311-I332 VanDerWaalsContact O-N 3.16Å
312	D	71.6	Confident	73	Confident	65 Å²	65	71.3 Å²	71.3	35%	0.348	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	-6.3	166.5	-64.7	-28.7	0	0	0	112.4
313	L	69.6	Low	71.1	Confident	11 Å²	11	77.5 Å²	77.5	6%	0.058	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	87.5	-174.8	-72.9	168.6	0	0	0	110.3	L281 E282 L299 S311	L281-L313 HydrophobicContact CB-CD1 3.78Å; L281-L313 HydrophobicContact CD1-CD1 3.92Å; E282-L313 HydrophobicContact CG-CD2 3.53Å; L299-L313 HydrophobicContact CD2-CD1 4.09Å; L299-L313 PolarHBondContact N-O 3.04Å; S311-L313 PolarHBondContact OG-N 3.22Å; S311-L313 PolarHBondContact OG-O 3.48Å
314	F	66.9	Low	69.4	Low	30 Å²	30	77.4 Å²	77.4	13%	0.132	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	126.4	179.9	-174.7	-94.1	0	0	0	111	A298 I316 I332	A298-F314 HydrophobicContact CB-CD2 3.72Å; A298-F314 HydrophobicContact CB-CE2 4Å; F314-I316 HydrophobicContact CD1-CG2 3.89Å; F314-I316 HydrophobicContact CE1-CG2 4.41Å; F314-I316 PolarHBondContact O-N 3.13Å; F314-I332 HydrophobicContact CB-CD1 4.47Å; F314-I332 HydrophobicContact CD2-CD1 4.3Å; F314-I332 HydrophobicContact CG-CD1 4.22Å
315	D	67.4	Low	68	Low	0 Å²	0	73.8 Å²	73.8	0%	0	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	111.2	176.9	-172.9	-10.3	0	0	0	109.9	K289 C297 G317 F326	K289-D315 WeakPolarHBondContact CD-OD2 3.24Å; K289-D315 IonicContact NZ-OD2 3.37Å; K289-D315 PolarHBondContact NZ-OD2 3.48Å; C297-D315 WeakPolarHBondContact O-CB 3.48Å; C297-D315 PolarHBondContact O-N 2.92Å; D315-G317 PolarHBondContact OD1-N 3.34Å; D315-F326 HydrophobicContact CB-CD1 4.41Å; D315-F326 HydrophobicContact CB-CE1 3.91Å
316	I	61	Low	66.7	Low	64 Å²	64	69.7 Å²	69.7	33%	0.328	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	0.2	179.6	55.1	159.2	0	0	0	113.4	F314 V325 R327	F314-I316 HydrophobicContact CD1-CG2 3.89Å; F314-I316 HydrophobicContact CE1-CG2 4.41Å; F314-I316 PolarHBondContact O-N 3.13Å; I316-V325 HydrophobicContact CD1-CG1 4.32Å; I316-V325 HydrophobicContact CG1-CB 4.42Å; I316-V325 WeakPolarHBondContact CG1-O 3.36Å; I316-V325 PolarHBondContact N-O 3.05Å; I316-R327 HydrophobicContact CD1-CB 3.85Å; I316-R327 HydrophobicContact CD1-CG 3.73Å
317	G	62.3	Low	65	Low	21 Å²	21	72.1 Å²	72.1	22%	0.216	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	116.6	-167.9	-178.3	0	0	0	0	0	113.9	D315 V325	D315-G317 PolarHBondContact OD1-N 3.34Å; G317-V325 PolarHBondContact O-N 3.4Å
318	E	56	Low	63.3	Low	137 Å²	137	72.4 Å²	72.4	64%	0.64	35%	0.347	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.2	142.2	-176.9	-64.5	-179.3	175.9	0	0	112.8
319	E	52.7	Low	61.4	Low	123 Å²	123	72.9 Å²	72.9	58%	0.575	35%	0.354	S	S	*	.			trans	-81.5	170.8	164.3	-107.6	-179.8	-164.6	0	0	111.6	E321 G322 K323 V325	E319-E321 PolarHBondContact O-N 3.42Å; E319-G322 PolarHBondContact O-N 3.27Å; E319-K323 PolarHBondContact N-O 3.47Å; E319-K323 VanDerWaalsContact N-O 3.14Å; E319-V325 HydrophobicContact CB-CG2 3.82Å; E319-V325 HydrophobicContact CG-CG2 3.76Å
320	K	44.6	Very low	59.9	Low	221 Å²	221	82.3 Å²	82.3	96%	0.961	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-7.2	-173.8	-74.3	-176.4	176.2	179.4	0	116.1
321	E	47.4	Very low	59.1	Low	173 Å²	173	83.9 Å²	83.9	81%	0.808	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.8	8.6	177	-63.7	-170.1	162.4	0	0	114.2	E319 K323	E319-E321 PolarHBondContact O-N 3.42Å; E321-K323 PolarHBondContact O-N 2.91Å
322	G	51.4	Low	58.9	Low	42 Å²	42	85.9 Å²	85.9	43%	0.433	41%	0.414	S	S	.	.	S	Bend	trans	77	16.1	176	0	0	0	0	0	115	E319	E319-G322 PolarHBondContact O-N 3.27Å
323	K	49.2	Very low	59.6	Low	147 Å²	147	87.5 Å²	87.5	64%	0.639	42%	0.415	S	S	*	.			trans	-94.4	131.4	170.2	-69.4	-178.2	-178.9	174	0	110.1	E319 E321	E319-K323 PolarHBondContact N-O 3.47Å; E319-K323 VanDerWaalsContact N-O 3.14Å; E321-K323 PolarHBondContact O-N 2.91Å
324	P	54.3	Low	60.4	Low	28 Å²	28	88.4 Å²	88.4	18%	0.182	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	138	173.8	26.1	-32.2	0	0	0	110.5	I286	I286-P324 HydrophobicContact CB-CG 4.3Å; I286-P324 HydrophobicContact CD1-CG 3.65Å; I286-P324 HydrophobicContact CG1-CB 4.34Å; I286-P324 HydrophobicContact CG1-CG 3.53Å; I286-P324 HydrophobicContact CG2-CG 3.81Å
325	V	56.7	Low	61.5	Low	31 Å²	31	89 Å²	89	19%	0.188	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	117.8	-179.9	-179.3	0	0	0	0	109.3	I316 G317 E319 R327	I316-V325 HydrophobicContact CD1-CG1 4.32Å; I316-V325 HydrophobicContact CG1-CB 4.42Å; I316-V325 WeakPolarHBondContact CG1-O 3.36Å; I316-V325 PolarHBondContact N-O 3.05Å; G317-V325 PolarHBondContact O-N 3.4Å; E319-V325 HydrophobicContact CB-CG2 3.82Å; E319-V325 HydrophobicContact CG-CG2 3.76Å; V325-R327 HydrophobicContact CG1-CG 4.05Å
326	F	60.8	Low	62.6	Low	24 Å²	24	90 Å²	90	11%	0.105	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	112.1	159.9	-61.7	-80.1	0	0	0	107.9	E282 M285 I286 D315	E282-F326 HydrophobicContact CB-CD2 3.67Å; E282-F326 HydrophobicContact CB-CE2 3.72Å; E282-F326 HydrophobicContact CG-CB 4.16Å; E282-F326 HydrophobicContact CG-CD2 3.5Å; E282-F326 VanDerWaalsContact CG-CD2 3.5Å; E282-F326 HydrophobicContact CG-CE2 3.98Å; E282-F326 HydrophobicContact CG-CG 3.92Å; M285-F326 HydrophobicContact CB-CE1 4.44Å; M285-F326 HydrophobicContact CB-CZ 3.8Å; I286-F326 HydrophobicContact CD1-CD2 4.31Å; I286-F326 HydrophobicContact CD1-CE2 3.6Å; I286-F326 HydrophobicContact CG1-CE2 3.49Å; I286-F326 VanDerWaalsContact CG1-CE2 3.49Å; I286-F326 HydrophobicContact CG1-CZ 3.96Å; D315-F326 HydrophobicContact CB-CD1 4.41Å; D315-F326 HydrophobicContact CB-CE1 3.91Å
327	R	54.3	Low	64	Low	152 Å²	152	91.3 Å²	91.3	57%	0.574	44%	0.439	S	S	*	.			trans	-93.2	129.3	165.2	-86.6	-174.4	178.9	168.6	-0.4	108.1	I316 V325 T329	I316-R327 HydrophobicContact CD1-CB 3.85Å; I316-R327 HydrophobicContact CD1-CG 3.73Å; V325-R327 HydrophobicContact CG1-CG 4.05Å; R327-T329 HydrophobicContact CB-CG2 3.67Å; R327-T329 PolarHBondContact O-N 2.97Å
328	K	53.8	Low	65.2	Low	148 Å²	148	94.5 Å²	94.5	64%	0.643	45%	0.447	S	S	*	.			trans	-59.6	80.3	155.8	-74.8	-172.2	176.9	-173.8	0	108.1	D278	D278-K328 IonicContact OD2-NZ 2.81Å; D278-K328 PolarHBondContact OD2-NZ 2.68Å
329	T	52.9	Low	66.8	Low	65 Å²	65	88.6 Å²	88.6	40%	0.399	42%	0.424	S	S	.	.			trans	-84.4	176.9	174	49.8	0	0	0	0	109.1	R327 E331	R327-T329 HydrophobicContact CB-CG2 3.67Å; R327-T329 PolarHBondContact O-N 2.97Å; T329-E331 PolarHBondContact O-N 3.28Å; T329-E331 VanDerWaalsContact O-N 3.1Å
330	K	57.5	Low	68.7	Low	199 Å²	199	82.9 Å²	82.9	87%	0.865	40%	0.397	S	S	*	.	S	Bend	trans	-53.7	120.6	172.4	-80.7	-178.1	174.3	-179.3	0	108.7	I332	K330-I332 PolarHBondContact O-N 3.33Å
331	E	70.1	Confident	71	Confident	78 Å²	78	72.5 Å²	72.5	36%	0.364	35%	0.352	S	S	.	.			trans	-35.5	119.3	176	-175.6	-169.6	-134.7	0	0	111.1	Y310 T329 R333	Y310-E331 HydrophobicContact CD2-CG 4.48Å; Y310-E331 WeakPolarHBondContact CD2-OE1 3.49Å; T329-E331 PolarHBondContact O-N 3.28Å; T329-E331 VanDerWaalsContact O-N 3.1Å; E331-R333 PolarHBondContact O-N 2.87Å; E331-R333 IonicContact OE1-CZ 3.48Å; E331-R333 IonicContact OE1-NE 3.42Å; E331-R333 IonicContact OE1-NH2 3.46Å; E331-R333 PolarHBondContact OE1-NH2 3.39Å; E331-R333 IonicContact OE2-CZ 2.62Å; E331-R333 IonicContact OE2-NE 3.65Å; E331-R333 PolarHBondContact OE2-NE 3.3Å; E331-R333 IonicContact OE2-NH2 2.75Å; E331-R333 PolarHBondContact OE2-NH2 3.42Å
332	I	76.2	Confident	73.1	Confident	45 Å²	45	64.3 Å²	64.3	23%	0.231	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	112.6	174.2	-61.3	175	0	0	0	106.9	F300 Y310 S311 F314 K330 F334	F300-I332 HydrophobicContact CE1-CG2 4.43Å; Y310-I332 CarbonylContact C-O 3.58Å; Y310-I332 WeakPolarHBondContact CA-O 3.42Å; S311-I332 PolarHBondContact N-O 3.37Å; S311-I332 PolarHBondContact O-N 3.45Å; S311-I332 VanDerWaalsContact O-N 3.16Å; F314-I332 HydrophobicContact CB-CD1 4.47Å; F314-I332 HydrophobicContact CD2-CD1 4.3Å; F314-I332 HydrophobicContact CG-CD1 4.22Å; K330-I332 PolarHBondContact O-N 3.33Å; I332-F334 HydrophobicContact CG2-CD1 4.21Å; I332-F334 HydrophobicContact CG2-CE1 4.4Å
333	R	85.7	Confident	75.1	Confident	98 Å²	98	64.6 Å²	64.6	37%	0.37	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	131.7	-177	-174.9	178.3	-80.6	-113.5	-0.1	111.3	D303 E308 L309 E331	D303-R333 IonicContact OD2-NH1 2.78Å; E308-R333 HydrophobicContact CB-CG 4.28Å; E308-R333 VanDerWaalsContact OE2-CD 3.22Å; E308-R333 WeakPolarHBondContact OE2-CD 3.44Å; E308-R333 IonicContact OE2-CZ 3.42Å; E308-R333 IonicContact OE2-NE 3.59Å; E308-R333 IonicContact OE2-NH1 3.47Å; E308-R333 PolarHBondContact OE2-NH1 3.07Å; L309-R333 CarbonylContact O-C 3.59Å; L309-R333 VanDerWaalsContact O-CA 3.3Å; L309-R333 WeakPolarHBondContact O-CA 3.27Å; E331-R333 PolarHBondContact O-N 2.87Å; E331-R333 IonicContact OE1-CZ 3.48Å; E331-R333 IonicContact OE1-NE 3.42Å; E331-R333 IonicContact OE1-NH2 3.46Å; E331-R333 PolarHBondContact OE1-NH2 3.39Å; E331-R333 IonicContact OE2-CZ 2.62Å; E331-R333 IonicContact OE2-NE 3.65Å; E331-R333 PolarHBondContact OE2-NE 3.3Å; E331-R333 IonicContact OE2-NH2 2.75Å; E331-R333 PolarHBondContact OE2-NH2 3.42Å
334	F	87.2	Confident	77.2	Confident	30 Å²	30	57.6 Å²	57.6	13%	0.132	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	158.6	176.8	58.4	-85.4	0	0	0	111.9	F300 E308 L309 I332 K338 A341	F300-F334 AromaticContact CD1-CE1 3.71Å; F300-F334 HydrophobicContact CD1-CE1 3.71Å; F300-F334 HydrophobicContact CD1-CZ 4.03Å; F300-F334 AromaticContact CE1-CE1 3.5Å; F300-F334 HydrophobicContact CE1-CE1 3.5Å; F300-F334 HydrophobicContact CE1-CZ 4.03Å; F300-F334 HydrophobicContact CG-CE1 4.48Å; F300-F334 HydrophobicContact CG-CZ 4.37Å; F300-F334 HydrophobicContact CZ-CE1 4.08Å; F300-F334 HydrophobicContact CZ-CZ 4.3Å; E308-F334 CarbonylContact C-O 3.3Å; E308-F334 WeakPolarHBondContact CA-O 3.46Å; L309-F334 HydrophobicContact CB-CD2 4.37Å; L309-F334 HydrophobicContact CB-CE1 4.27Å; L309-F334 HydrophobicContact CB-CE2 3.98Å; L309-F334 HydrophobicContact CB-CZ 3.91Å; L309-F334 HydrophobicContact CD1-CD2 4.49Å; L309-F334 HydrophobicContact CD1-CE2 3.61Å; L309-F334 HydrophobicContact CD1-CZ 3.9Å; L309-F334 HydrophobicContact CG-CE2 4.38Å; L309-F334 PolarHBondContact N-O 3.42Å; L309-F334 PolarHBondContact O-N 2.96Å; I332-F334 HydrophobicContact CG2-CD1 4.21Å; I332-F334 HydrophobicContact CG2-CE1 4.4Å; F334-K338 HydrophobicContact CD2-CB 4.43Å; F334-A341 HydrophobicContact CZ-CB 4.29Å
335	S	89.8	Confident	79.1	Confident	44 Å²	44	56.6 Å²	56.6	31%	0.308	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.9	139	179	170.9	0	0	0	0	112.2	D337 K338	S335-D337 PolarHBondContact O-N 3.28Å; S335-D337 PolarHBondContact OG-N 2.74Å; S335-K338 PolarHBondContact O-N 3.16Å; S335-K338 VanDerWaalsContact O-N 3.12Å
336	I	91.5	Very high	80.8	Confident	19 Å²	19	60.6 Å²	60.6	10%	0.097	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-16.6	174.3	-160.2	174.6	0	0	0	112.7	V302 K307 L309 K338 G342 A345 R346	V302-I336 HydrophobicContact CG1-CD1 3.91Å; K307-I336 HydrophobicContact CB-CG2 4.02Å; K307-I336 WeakPolarHBondContact O-CB 3.29Å; K307-I336 WeakPolarHBondContact O-CG2 3.48Å; K307-I336 PolarHBondContact O-N 3.5Å; L309-I336 HydrophobicContact CG-CG1 4.28Å; I336-K338 VanDerWaalsContact C-N 3.32Å; I336-G342 CarbonylContact O-C 3.55Å; I336-G342 WeakPolarHBondContact O-CA 3.23Å; I336-A345 HydrophobicContact CD1-CB 3.92Å; I336-A345 HydrophobicContact CG1-CB 3.75Å; I336-R346 HydrophobicContact CD1-CG 4.3Å; I336-R346 HydrophobicContact CG1-CG 4.14Å
337	D	89.3	Confident	82.3	Confident	93 Å²	93	62.3 Å²	62.3	50%	0.497	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-9	-179.2	-66.9	-47.4	0	0	0	114.6	S335 R346	S335-D337 PolarHBondContact O-N 3.28Å; S335-D337 PolarHBondContact OG-N 2.74Å; D337-R346 PolarHBondContact O-NH1 3.15Å; D337-R346 WeakPolarHBondContact OD1-CD 3.3Å; D337-R346 IonicContact OD1-CZ 3.72Å; D337-R346 IonicContact OD1-NE 3.29Å; D337-R346 IonicContact OD1-NH1 3.48Å; D337-R346 PolarHBondContact OD1-NH1 2.93Å
338	K	87.4	Confident	84.1	Confident	87 Å²	87	56.5 Å²	56.5	38%	0.378	28%	0.28	S	S	.	.	S	Bend	trans	-103.4	142.8	-174.9	-69.3	-169.1	172.8	-165.6	0	112.7	F334 S335 I336 G342 E365	F334-K338 HydrophobicContact CD2-CB 4.43Å; S335-K338 PolarHBondContact O-N 3.16Å; S335-K338 VanDerWaalsContact O-N 3.12Å; I336-K338 VanDerWaalsContact C-N 3.32Å; K338-G342 WeakPolarHBondContact O-CA 3.46Å; K338-G342 PolarHBondContact O-N 2.81Å; K338-E365 IonicContact NZ-OE1 3.32Å; K338-E365 PolarHBondContact NZ-OE1 3.41Å; K338-E365 IonicContact NZ-OE2 3.7Å; K338-E365 PolarHBondContact NZ-OE2 3.41Å
339	G	89.8	Confident	85.9	Confident	14 Å²	14	55.5 Å²	55.5	14%	0.144	28%	0.277	C	S	.	.	H	α-helix	trans	79.5	175	167.5	0	0	0	0	0	115	G342 Q343 R361	G339-G342 PolarHBondContact O-N 3.31Å; G339-Q343 PolarHBondContact O-N 3.45Å; G339-Q343 VanDerWaalsContact O-N 3.13Å; G339-R361 CarbonylContact C-O 3.53Å; G339-R361 VanDerWaalsContact C-O 3.27Å; G339-R361 WeakPolarHBondContact CA-O 3.49Å
340	I	93.1	Very high	87.8	Confident	3 Å²	3	54.8 Å²	54.8	2%	0.015	27%	0.273	C	S	.	.	H	α-helix	trans	-62.2	-44.2	174.4	-56.9	-57	0	0	0	110.6	G342 Q343 V344 L351 I353 R361 F362 I377 C379	I340-G342 VanDerWaalsContact C-N 3.33Å; I340-G342 PolarHBondContact O-N 2.95Å; I340-Q343 PolarHBondContact O-N 3.5Å; I340-V344 WeakPolarHBondContact O-CG2 3.45Å; I340-V344 PolarHBondContact O-N 3.02Å; I340-L351 HydrophobicContact CG2-CB 4.29Å; I340-L351 HydrophobicContact CG2-CD1 4.07Å; I340-I353 HydrophobicContact CD1-CD1 4.44Å; I340-I353 HydrophobicContact CD1-CG1 4.16Å; I340-I353 HydrophobicContact CG1-CG1 4.45Å; I340-I353 HydrophobicContact CG2-CG1 4.3Å; I340-R361 HydrophobicContact CD1-CB 3.81Å; I340-F362 HydrophobicContact CG1-CD2 4.4Å; I340-I377 HydrophobicContact CG1-CD1 4.07Å; I340-I377 HydrophobicContact CG2-CG2 4.21Å; I340-C379 HydrophobicContact CG2-CB 3.89Å
341	A	91.6	Very high	89.6	Confident	3 Å²	3	46.3 Å²	46.3	3%	0.025	24%	0.237	C	C	.	.	H	α-helix	trans	-59.4	-41.8	178	0	0	0	0	0	112.3	F300 L309 F334 V344 A345 V391	F300-A341 HydrophobicContact CD2-CB 4.07Å; F300-A341 HydrophobicContact CE2-CB 4.37Å; L309-A341 HydrophobicContact CD1-CB 4.06Å; F334-A341 HydrophobicContact CZ-CB 4.29Å; A341-V344 PolarHBondContact O-N 3.11Å; A341-A345 WeakPolarHBondContact O-CB 3.42Å; A341-A345 PolarHBondContact O-N 2.99Å; A341-V391 HydrophobicContact CB-CG1 4.2Å
342	G	91.7	Very high	90.7	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-63.3	-41.3	174.9	0	0	0	0	0	113.5	I336 K338 G339 I340 V344 A345 R346	I336-G342 CarbonylContact O-C 3.55Å; I336-G342 WeakPolarHBondContact O-CA 3.23Å; K338-G342 WeakPolarHBondContact O-CA 3.46Å; K338-G342 PolarHBondContact O-N 2.81Å; G339-G342 PolarHBondContact O-N 3.31Å; I340-G342 VanDerWaalsContact C-N 3.33Å; I340-G342 PolarHBondContact O-N 2.95Å; G342-V344 PolarHBondContact O-N 3.31Å; G342-A345 PolarHBondContact O-N 2.65Å; G342-R346 WeakPolarHBondContact O-CG 3.41Å; G342-R346 PolarHBondContact O-N 3.26Å
343	Q	93.4	Very high	91.6	Very high	48 Å²	48	43 Å²	43	22%	0.224	22%	0.222	C	C	.	.	H	α-helix	trans	-60.9	-46.2	174.9	-175.8	64.2	13.8	0	0	112	G339 I340 A345 R346 T347 L351	G339-Q343 PolarHBondContact O-N 3.45Å; G339-Q343 VanDerWaalsContact O-N 3.13Å; I340-Q343 PolarHBondContact O-N 3.5Å; Q343-A345 VanDerWaalsContact C-N 3.34Å; Q343-R346 PolarHBondContact O-N 2.83Å; Q343-T347 HydrophobicContact CG-CG2 4.49Å; Q343-T347 VanDerWaalsContact NE2-CG2 3.29Å; Q343-T347 WeakPolarHBondContact O-CB 3.49Å; Q343-T347 WeakPolarHBondContact O-CG2 3.38Å; Q343-T347 PolarHBondContact O-N 2.83Å; Q343-T347 PolarHBondContact O-OG1 3.44Å; Q343-L351 HydrophobicContact CB-CD1 4.15Å; Q343-L351 HydrophobicContact CG-CD1 3.87Å
344	V	94.6	Very high	91.7	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-63.4	-40.9	176.6	174.2	0	0	0	0	111	I340 A341 G342 R346 G348 E349 L351 C379 P381 V391	I340-V344 WeakPolarHBondContact O-CG2 3.45Å; I340-V344 PolarHBondContact O-N 3.02Å; A341-V344 PolarHBondContact O-N 3.11Å; G342-V344 PolarHBondContact O-N 3.31Å; V344-R346 VanDerWaalsContact C-N 3.33Å; V344-R346 PolarHBondContact O-N 2.89Å; V344-G348 WeakPolarHBondContact O-CA 3.23Å; V344-G348 PolarHBondContact O-N 2.66Å; V344-E349 WeakPolarHBondContact CG2-O 3.42Å; V344-L351 HydrophobicContact CG2-CB 4.03Å; V344-L351 HydrophobicContact CG2-CD1 3.74Å; V344-L351 HydrophobicContact CG2-CG 3.79Å; V344-C379 HydrophobicContact CG2-CB 3.96Å; V344-P381 HydrophobicContact CG1-CB 3.78Å; V344-P381 HydrophobicContact CG1-CG 4.18Å; V344-P381 VanDerWaalsContact CG1-N 3.33Å; V344-V391 HydrophobicContact CB-CG1 4.03Å; V344-V391 HydrophobicContact CB-CG2 4.42Å; V344-V391 HydrophobicContact CG1-CG1 3.84Å; V344-V391 HydrophobicContact CG1-CG2 4.14Å
345	A	93.3	Very high	91.9	Very high	8 Å²	8	45.2 Å²	45.2	7%	0.066	25%	0.247	C	C	.	.	H	α-helix	trans	-60.1	-40.4	177.9	0	0	0	0	0	112.9	V302 L309 I336 A341 G342 Q343 V391	V302-A345 HydrophobicContact CG2-CB 4.27Å; L309-A345 HydrophobicContact CD1-CB 4.34Å; L309-A345 HydrophobicContact CD2-CB 4.04Å; I336-A345 HydrophobicContact CD1-CB 3.92Å; I336-A345 HydrophobicContact CG1-CB 3.75Å; A341-A345 WeakPolarHBondContact O-CB 3.42Å; A341-A345 PolarHBondContact O-N 2.99Å; G342-A345 PolarHBondContact O-N 2.65Å; Q343-A345 VanDerWaalsContact C-N 3.34Å; A345-V391 HydrophobicContact CB-CG2 3.67Å
346	R	92.6	Very high	91.9	Very high	115 Å²	115	43.1 Å²	43.1	43%	0.434	23%	0.233	S	C	.	.	H	α-helix	trans	-78.8	-38.4	-179.1	-66.9	-179.4	-56.4	-160.1	-3.1	113.5	I336 D337 G342 Q343 V344	I336-R346 HydrophobicContact CD1-CG 4.3Å; I336-R346 HydrophobicContact CG1-CG 4.14Å; D337-R346 PolarHBondContact O-NH1 3.15Å; D337-R346 WeakPolarHBondContact OD1-CD 3.3Å; D337-R346 IonicContact OD1-CZ 3.72Å; D337-R346 IonicContact OD1-NE 3.29Å; D337-R346 IonicContact OD1-NH1 3.48Å; D337-R346 PolarHBondContact OD1-NH1 2.93Å; G342-R346 WeakPolarHBondContact O-CG 3.41Å; G342-R346 PolarHBondContact O-N 3.26Å; Q343-R346 PolarHBondContact O-N 2.83Å; V344-R346 VanDerWaalsContact C-N 3.33Å; V344-R346 PolarHBondContact O-N 2.89Å
347	T	93.1	Very high	91.7	Very high	59 Å²	59	46.2 Å²	46.2	36%	0.362	24%	0.244	S	C	.	.	H	α-helix	trans	-91	-28.7	-173.5	55.9	0	0	0	0	113.3	Q343 E349	Q343-T347 HydrophobicContact CG-CG2 4.49Å; Q343-T347 VanDerWaalsContact NE2-CG2 3.29Å; Q343-T347 WeakPolarHBondContact O-CB 3.49Å; Q343-T347 WeakPolarHBondContact O-CG2 3.38Å; Q343-T347 PolarHBondContact O-N 2.83Å; Q343-T347 PolarHBondContact O-OG1 3.44Å; T347-E349 PolarHBondContact O-N 3.11Å; T347-E349 PolarHBondContact OG1-N 2.9Å
348	G	91.3	Very high	91.8	Very high	31 Å²	31	45.3 Å²	45.3	32%	0.32	25%	0.249	S	C	.	.			trans	68.3	17.1	-169	0	0	0	0	0	113.2	V344 P381	V344-G348 WeakPolarHBondContact O-CA 3.23Å; V344-G348 PolarHBondContact O-N 2.66Å; G348-P381 WeakPolarHBondContact O-CG 3.45Å
349	E	92.1	Very high	91.9	Very high	127 Å²	127	42.3 Å²	42.3	59%	0.593	24%	0.237	S	C	*	.			trans	-100.4	142	178.7	-65.6	-175.6	169.1	0	0	111.6	V344 T347	V344-E349 WeakPolarHBondContact CG2-O 3.42Å; T347-E349 PolarHBondContact O-N 3.11Å; T347-E349 PolarHBondContact OG1-N 2.9Å
350	V	92.7	Very high	91.7	Very high	49 Å²	49	47.8 Å²	47.8	30%	0.297	27%	0.27	S	S	.	.			trans	-73.3	133.7	175.2	175.3	0	0	0	0	109.7	L378 M380 E408	V350-L378 HydrophobicContact CG1-CD1 4.4Å; V350-M380 HydrophobicContact CB-CG 4.41Å; V350-M380 HydrophobicContact CG1-CE 3.75Å; V350-M380 HydrophobicContact CG1-CG 3.8Å; V350-M380 HydrophobicContact CG2-CB 4.46Å; V350-M380 HydrophobicContact CG2-CE 4.41Å; V350-M380 HydrophobicContact CG2-CG 3.9Å; V350-M380 HydrophobicContact CG2-SD 4.43Å; V350-E408 HydrophobicContact CG1-CG 3.88Å
351	L	94.2	Very high	91.5	Very high	22 Å²	22	52.3 Å²	52.3	12%	0.115	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	124.3	176.7	-66.3	-178.3	0	0	0	111.3	I340 Q343 V344 I353 C379	I340-L351 HydrophobicContact CG2-CB 4.29Å; I340-L351 HydrophobicContact CG2-CD1 4.07Å; Q343-L351 HydrophobicContact CB-CD1 4.15Å; Q343-L351 HydrophobicContact CG-CD1 3.87Å; V344-L351 HydrophobicContact CG2-CB 4.03Å; V344-L351 HydrophobicContact CG2-CD1 3.74Å; V344-L351 HydrophobicContact CG2-CG 3.79Å; L351-I353 HydrophobicContact CB-CD1 4.2Å; L351-C379 PolarHBondContact N-O 3.27Å; L351-C379 PolarHBondContact O-N 3.41Å
352	N	94.1	Very high	91.3	Very high	46 Å²	46	53.4 Å²	53.4	25%	0.246	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	108.7	171	-176.9	-3.5	0	0	0	108.5	P354 L378 F403	N352-P354 WeakPolarHBondContact O-CD 3.39Å; N352-L378 HydrophobicContact CB-CD1 3.88Å; N352-F403 PolarHBondContact ND2-O 3.35Å
353	I	94.5	Very high	90.9	Very high	7 Å²	7	54.5 Å²	54.5	4%	0.036	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	110.1	-171.8	-52.1	-54.6	0	0	0	109.1	I340 L351 D355 D359 N376 I377	I340-I353 HydrophobicContact CD1-CD1 4.44Å; I340-I353 HydrophobicContact CD1-CG1 4.16Å; I340-I353 HydrophobicContact CG1-CG1 4.45Å; I340-I353 HydrophobicContact CG2-CG1 4.3Å; L351-I353 HydrophobicContact CB-CD1 4.2Å; I353-D355 WeakPolarHBondContact CG2-O 3.1Å; I353-D359 HydrophobicContact CG2-CB 3.97Å; I353-N376 WeakPolarHBondContact O-CA 3.48Å; I353-N376 VanDerWaalsContact O-CB 3.27Å; I353-N376 WeakPolarHBondContact O-CB 3.34Å; I353-I377 HydrophobicContact CB-CB 4.2Å; I353-I377 HydrophobicContact CG1-CB 4.48Å; I353-I377 PolarHBondContact N-O 2.86Å; I353-I377 PolarHBondContact O-N 3.34Å
354	P	89.5	Confident	90.3	Very high	89 Å²	89	58.4 Å²	58.4	58%	0.578	31%	0.31	S	S	*	.	S	Bend	trans	-70.1	-31.8	-179	-22.1	34.7	0	0	0	114.4	N352 N376 A402	N352-P354 WeakPolarHBondContact O-CD 3.39Å; P354-N376 WeakPolarHBondContact O-CB 3.33Å; P354-A402 HydrophobicContact CB-CB 3.83Å; P354-A402 HydrophobicContact CG-CB 4.45Å
355	D	90.3	Very high	89.4	Confident	85 Å²	85	62.7 Å²	62.7	46%	0.455	33%	0.33	S	S	.	.			trans	-138.9	110.6	176.1	-176.8	-18.4	0	0	0	109.4	I353 Y357 A358 D359 R375	I353-D355 WeakPolarHBondContact CG2-O 3.1Å; D355-Y357 PolarHBondContact OD1-N 3.09Å; D355-A358 HydrophobicContact CB-CB 3.93Å; D355-A358 PolarHBondContact OD1-N 2.85Å; D355-D359 PolarHBondContact O-N 3.34Å; D355-R375 CarbonylContact C-O 3.59Å; D355-R375 VanDerWaalsContact CA-O 3.28Å; D355-R375 WeakPolarHBondContact CA-O 3.27Å
356	A	90.1	Very high	88.4	Confident	0 Å²	0	64.3 Å²	64.3	0%	0	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-34	-177.7	0	0	0	0	0	113	A358 D359 F362 T374 R375 I377	A356-A358 VanDerWaalsContact C-N 3.34Å; A356-D359 PolarHBondContact O-N 3.48Å; A356-F362 HydrophobicContact CB-CD1 4.18Å; A356-F362 HydrophobicContact CB-CD2 3.99Å; A356-F362 HydrophobicContact CB-CE1 4.32Å; A356-F362 HydrophobicContact CB-CE2 4.14Å; A356-F362 HydrophobicContact CB-CG 4.03Å; A356-F362 HydrophobicContact CB-CZ 4.32Å; A356-F362 WeakPolarHBondContact O-CB 3.41Å; A356-F362 WeakPolarHBondContact O-CD1 3.3Å; A356-F362 VanDerWaalsContact O-CG 3.27Å; A356-F362 WeakPolarHBondContact O-CG 3.38Å; A356-T374 HydrophobicContact CB-CG2 3.78Å; A356-R375 PolarHBondContact N-O 2.7Å; A356-I377 HydrophobicContact CB-CD1 3.82Å; A356-I377 HydrophobicContact CB-CG1 4.25Å
357	Y	87.9	Confident	87.8	Confident	84 Å²	84	59.3 Å²	59.3	33%	0.329	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-24	-177.6	-84	-103.9	0	0	0	112.6	D355 F362 R364 D367 T373 T374	D355-Y357 PolarHBondContact OD1-N 3.09Å; Y357-F362 HydrophobicContact CD2-CE1 4.09Å; Y357-F362 AromaticContact CE2-CE1 3.77Å; Y357-F362 HydrophobicContact CE2-CE1 3.77Å; Y357-F362 HydrophobicContact CE2-CZ 4.47Å; Y357-R364 HydrophobicContact CE1-CG 4.29Å; Y357-R364 PolarHBondContact O-NH2 2.75Å; Y357-D367 WeakPolarHBondContact CE2-OD2 3.33Å; Y357-D367 PolarHBondContact OH-OD2 2.73Å; Y357-T373 HydrophobicContact CE2-CG2 4.17Å; Y357-T374 VanDerWaalsContact CD2-O 3.24Å; Y357-T374 WeakPolarHBondContact CD2-O 3.49Å; Y357-T374 VanDerWaalsContact CE2-O 3.24Å; Y357-T374 WeakPolarHBondContact CE2-O 3.48Å
358	A	89.9	Confident	87	Confident	74 Å²	74	63.3 Å²	63.3	61%	0.612	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-21.2	171.6	0	0	0	0	0	113.5	D355 A356	D355-A358 HydrophobicContact CB-CB 3.93Å; D355-A358 PolarHBondContact OD1-N 2.85Å; A356-A358 VanDerWaalsContact C-N 3.34Å
359	D	89.3	Confident	85.9	Confident	24 Å²	24	70.3 Å²	70.3	13%	0.128	36%	0.361	C	S	.	.			trans	-82.5	121.5	179.4	-164.3	-58.1	0	0	0	111.4	I353 D355 A356 R361 F362	I353-D359 HydrophobicContact CG2-CB 3.97Å; D355-D359 PolarHBondContact O-N 3.34Å; A356-D359 PolarHBondContact O-N 3.48Å; D359-R361 PolarHBondContact O-N 3.06Å; D359-R361 VanDerWaalsContact O-N 3.12Å; D359-R361 WeakPolarHBondContact OD1-CB 3.26Å; D359-R361 WeakPolarHBondContact OD1-CG 3.32Å; D359-R361 IonicContact OD1-CZ 2.68Å; D359-R361 PolarHBondContact OD1-N 3.11Å; D359-R361 IonicContact OD1-NE 2.92Å; D359-R361 PolarHBondContact OD1-NE 2.82Å; D359-R361 IonicContact OD1-NH2 2.76Å; D359-R361 IonicContact OD2-CZ 3.09Å; D359-R361 IonicContact OD2-NE 2.69Å; D359-R361 PolarHBondContact OD2-NE 3.35Å; D359-R361 IonicContact OD2-NH2 3.73Å; D359-R361 PolarHBondContact OD2-NH2 2.86Å; D359-F362 WeakPolarHBondContact O-CB 3.42Å; D359-F362 PolarHBondContact O-N 3.24Å; D359-F362 VanDerWaalsContact O-N 3.15Å
360	P	86.7	Confident	84.8	Confident	129 Å²	129	67.3 Å²	67.3	84%	0.838	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-16.5	-177.4	27.3	-35.4	0	0	0	113.7
361	R	88.4	Confident	83.9	Confident	99 Å²	99	68.4 Å²	68.4	37%	0.374	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-10.5	179.8	-56.7	167.7	-69.7	-176.4	-0.1	112.4	G339 I340 D359	G339-R361 CarbonylContact C-O 3.53Å; G339-R361 VanDerWaalsContact C-O 3.27Å; G339-R361 WeakPolarHBondContact CA-O 3.49Å; I340-R361 HydrophobicContact CD1-CB 3.81Å; D359-R361 PolarHBondContact O-N 3.06Å; D359-R361 VanDerWaalsContact O-N 3.12Å; D359-R361 WeakPolarHBondContact OD1-CB 3.26Å; D359-R361 WeakPolarHBondContact OD1-CG 3.32Å; D359-R361 IonicContact OD1-CZ 2.68Å; D359-R361 PolarHBondContact OD1-N 3.11Å; D359-R361 IonicContact OD1-NE 2.92Å; D359-R361 PolarHBondContact OD1-NE 2.82Å; D359-R361 IonicContact OD1-NH2 2.76Å; D359-R361 IonicContact OD2-CZ 3.09Å; D359-R361 IonicContact OD2-NE 2.69Å; D359-R361 PolarHBondContact OD2-NE 3.35Å; D359-R361 IonicContact OD2-NH2 3.73Å; D359-R361 PolarHBondContact OD2-NH2 2.86Å
362	F	88.5	Confident	83.3	Confident	26 Å²	26	68.9 Å²	68.9	11%	0.114	37%	0.373	C	S	.	.			trans	-70.3	129.6	-176.3	178.3	-118.5	0	0	0	112.4	I340 A356 Y357 D359 R364 T374 I377	I340-F362 HydrophobicContact CG1-CD2 4.4Å; A356-F362 HydrophobicContact CB-CD1 4.18Å; A356-F362 HydrophobicContact CB-CD2 3.99Å; A356-F362 HydrophobicContact CB-CE1 4.32Å; A356-F362 HydrophobicContact CB-CE2 4.14Å; A356-F362 HydrophobicContact CB-CG 4.03Å; A356-F362 HydrophobicContact CB-CZ 4.32Å; A356-F362 WeakPolarHBondContact O-CB 3.41Å; A356-F362 WeakPolarHBondContact O-CD1 3.3Å; A356-F362 VanDerWaalsContact O-CG 3.27Å; A356-F362 WeakPolarHBondContact O-CG 3.38Å; Y357-F362 HydrophobicContact CD2-CE1 4.09Å; Y357-F362 AromaticContact CE2-CE1 3.77Å; Y357-F362 HydrophobicContact CE2-CE1 3.77Å; Y357-F362 HydrophobicContact CE2-CZ 4.47Å; D359-F362 WeakPolarHBondContact O-CB 3.42Å; D359-F362 PolarHBondContact O-N 3.24Å; D359-F362 VanDerWaalsContact O-N 3.15Å; F362-R364 HydrophobicContact CD1-CG 3.77Å; F362-R364 HydrophobicContact CE1-CG 3.88Å; F362-R364 PolarHBondContact O-N 3.31Å; F362-T374 HydrophobicContact CE2-CG2 4Å; F362-T374 HydrophobicContact CZ-CG2 4.1Å; F362-I377 HydrophobicContact CD2-CD1 3.68Å; F362-I377 HydrophobicContact CE2-CD1 3.72Å
363	N	81.9	Confident	82.9	Confident	23 Å²	23	71 Å²	71	12%	0.123	39%	0.388	C	S	.	.			trans	-89.7	98.3	179.1	-176.4	9.1	0	0	0	111.3	E365	N363-E365 PolarHBondContact O-N 3.16Å; N363-E365 VanDerWaalsContact OD1-CB 3.23Å; N363-E365 WeakPolarHBondContact OD1-CB 3.42Å; N363-E365 VanDerWaalsContact OD1-CG 3.31Å; N363-E365 WeakPolarHBondContact OD1-CG 3.25Å; N363-E365 PolarHBondContact OD1-N 2.91Å
364	R	82.3	Confident	82.7	Confident	130 Å²	130	71 Å²	71	49%	0.491	39%	0.388	S	S	.	.	H	α-helix	trans	-69.9	-15.8	179.1	-60.6	179.5	-177	173.6	-0.1	114.1	Y357 F362 V366 D367 L368	Y357-R364 HydrophobicContact CE1-CG 4.29Å; Y357-R364 PolarHBondContact O-NH2 2.75Å; F362-R364 HydrophobicContact CD1-CG 3.77Å; F362-R364 HydrophobicContact CE1-CG 3.88Å; F362-R364 PolarHBondContact O-N 3.31Å; R364-V366 PolarHBondContact O-N 2.94Å; R364-D367 PolarHBondContact O-N 3.38Å; R364-L368 WeakPolarHBondContact O-CG 3.35Å; R364-L368 PolarHBondContact O-N 3.35Å
365	E	74.9	Confident	82.8	Confident	89 Å²	89	71.4 Å²	71.4	42%	0.416	38%	0.378	S	S	.	.	H	α-helix	trans	-59.7	-30.4	-179.7	-63.3	173.5	-171	0	0	112	K338 N363 K369	K338-E365 IonicContact NZ-OE1 3.32Å; K338-E365 PolarHBondContact NZ-OE1 3.41Å; K338-E365 IonicContact NZ-OE2 3.7Å; K338-E365 PolarHBondContact NZ-OE2 3.41Å; N363-E365 PolarHBondContact O-N 3.16Å; N363-E365 VanDerWaalsContact OD1-CB 3.23Å; N363-E365 WeakPolarHBondContact OD1-CB 3.42Å; N363-E365 VanDerWaalsContact OD1-CG 3.31Å; N363-E365 WeakPolarHBondContact OD1-CG 3.25Å; N363-E365 PolarHBondContact OD1-N 2.91Å; E365-K369 VanDerWaalsContact O-CG 3.3Å; E365-K369 WeakPolarHBondContact O-CG 3.34Å; E365-K369 PolarHBondContact O-N 3.14Å
366	V	72.6	Confident	82.9	Confident	43 Å²	43	67.6 Å²	67.6	26%	0.261	36%	0.358	S	S	.	.	H	α-helix	trans	-74.4	-46.2	179.9	-176.8	0	0	0	0	111.2	R364 L368 K369 T370	R364-V366 PolarHBondContact O-N 2.94Å; V366-L368 VanDerWaalsContact C-N 3.34Å; V366-L368 PolarHBondContact O-N 2.92Å; V366-K369 PolarHBondContact O-N 2.84Å; V366-T370 HydrophobicContact CG1-CG2 4.48Å; V366-T370 WeakPolarHBondContact O-CB 3.45Å; V366-T370 VanDerWaalsContact O-CG2 3.32Å; V366-T370 WeakPolarHBondContact O-CG2 3.21Å; V366-T370 PolarHBondContact O-N 2.9Å; V366-T370 PolarHBondContact O-OG1 3.26Å
367	D	78.7	Confident	83	Confident	9 Å²	9	67.6 Å²	67.6	5%	0.048	36%	0.358	C	S	.	.	H	α-helix	trans	-59.4	-44.2	174.6	-86.4	24.8	0	0	0	110.9	Y357 R364 K369 T370 G371 Y372 T374	Y357-D367 WeakPolarHBondContact CE2-OD2 3.33Å; Y357-D367 PolarHBondContact OH-OD2 2.73Å; R364-D367 PolarHBondContact O-N 3.38Å; D367-K369 VanDerWaalsContact C-N 3.35Å; D367-K369 PolarHBondContact O-N 3.19Å; D367-T370 PolarHBondContact O-N 3.4Å; D367-T370 PolarHBondContact O-OG1 3.04Å; D367-G371 WeakPolarHBondContact O-CA 3.39Å; D367-G371 PolarHBondContact O-N 3.49Å; D367-Y372 WeakPolarHBondContact CA-O 3.47Å; D367-Y372 WeakPolarHBondContact CB-O 3.33Å; D367-Y372 PolarHBondContact O-N 3.48Å; D367-T374 PolarHBondContact OD1-OG1 3.4Å; D367-T374 WeakPolarHBondContact OD2-CB 3.47Å; D367-T374 PolarHBondContact OD2-N 3.49Å; D367-T374 PolarHBondContact OD2-OG1 3.31Å
368	L	76.6	Confident	83.4	Confident	144 Å²	144	63.6 Å²	63.6	75%	0.754	34%	0.342	S	S	*	.	H	α-helix	trans	-62.5	-37.9	178.6	-71.9	169.9	0	0	0	113.2	R364 V366	R364-L368 WeakPolarHBondContact O-CG 3.35Å; R364-L368 PolarHBondContact O-N 3.35Å; V366-L368 VanDerWaalsContact C-N 3.34Å; V366-L368 PolarHBondContact O-N 2.92Å
369	K	68.7	Low	83.5	Confident	177 Å²	177	60 Å²	60	77%	0.77	31%	0.313	S	S	*	.	H	α-helix	trans	-74.5	-30.6	177.9	-76.4	175.1	-179.3	177.1	0	112.9	E365 V366 D367	E365-K369 VanDerWaalsContact O-CG 3.3Å; E365-K369 WeakPolarHBondContact O-CG 3.34Å; E365-K369 PolarHBondContact O-N 3.14Å; V366-K369 PolarHBondContact O-N 2.84Å; D367-K369 VanDerWaalsContact C-N 3.35Å; D367-K369 PolarHBondContact O-N 3.19Å
370	T	68.8	Low	83.8	Confident	64 Å²	64	59 Å²	59	39%	0.393	31%	0.307	S	S	.	.	H	α-helix	trans	-97.7	-15.3	-174.1	57.8	0	0	0	0	113.5	V366 D367 Y372	V366-T370 HydrophobicContact CG1-CG2 4.48Å; V366-T370 WeakPolarHBondContact O-CB 3.45Å; V366-T370 VanDerWaalsContact O-CG2 3.32Å; V366-T370 WeakPolarHBondContact O-CG2 3.21Å; V366-T370 PolarHBondContact O-N 2.9Å; V366-T370 PolarHBondContact O-OG1 3.26Å; D367-T370 PolarHBondContact O-N 3.4Å; D367-T370 PolarHBondContact O-OG1 3.04Å; T370-Y372 PolarHBondContact O-N 3.5Å; T370-Y372 PolarHBondContact OG1-N 2.83Å
371	G	73.1	Confident	84.1	Confident	72 Å²	72	53.7 Å²	53.7	74%	0.742	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.3	10.3	-172.7	0	0	0	0	0	113.5	D367	D367-G371 WeakPolarHBondContact O-CA 3.39Å; D367-G371 PolarHBondContact O-N 3.49Å
372	Y	81.8	Confident	84.2	Confident	33 Å²	33	49 Å²	49	13%	0.129	26%	0.255	C	S	.	.			trans	-93.7	145.7	-178.9	-174	-102.3	0	0	0	110.4	D295 R296 D367 T370 V395 N396	D295-Y372 WeakPolarHBondContact OD2-CE2 3.29Å; D295-Y372 PolarHBondContact OD2-OH 3.04Å; R296-Y372 HydrophobicContact CG-CE2 4.42Å; R296-Y372 VanDerWaalsContact NE-CE2 3.27Å; D367-Y372 WeakPolarHBondContact CA-O 3.47Å; D367-Y372 WeakPolarHBondContact CB-O 3.33Å; D367-Y372 PolarHBondContact O-N 3.48Å; T370-Y372 PolarHBondContact O-N 3.5Å; T370-Y372 PolarHBondContact OG1-N 2.83Å; Y372-V395 HydrophobicContact CE1-CG1 3.73Å; Y372-N396 PolarHBondContact OH-ND2 3.06Å
373	T	86.6	Confident	84.1	Confident	91 Å²	91	51 Å²	51	56%	0.558	27%	0.269	S	S	*	.			trans	-110.7	114.2	178.2	-55.9	0	0	0	0	110.7	Y357 N396	Y357-T373 HydrophobicContact CE2-CG2 4.17Å; T373-N396 PolarHBondContact O-ND2 3.13Å
374	T	89.6	Confident	84.1	Confident	7 Å²	7	51 Å²	51	4%	0.043	27%	0.271	C	S	.	.			trans	-86.6	117	177.9	-59.3	0	0	0	0	110.9	A356 Y357 F362 D367 I377 V395	A356-T374 HydrophobicContact CB-CG2 3.78Å; Y357-T374 VanDerWaalsContact CD2-O 3.24Å; Y357-T374 WeakPolarHBondContact CD2-O 3.49Å; Y357-T374 VanDerWaalsContact CE2-O 3.24Å; Y357-T374 WeakPolarHBondContact CE2-O 3.48Å; F362-T374 HydrophobicContact CE2-CG2 4Å; F362-T374 HydrophobicContact CZ-CG2 4.1Å; D367-T374 PolarHBondContact OD1-OG1 3.4Å; D367-T374 WeakPolarHBondContact OD2-CB 3.47Å; D367-T374 PolarHBondContact OD2-N 3.49Å; D367-T374 PolarHBondContact OD2-OG1 3.31Å; T374-I377 HydrophobicContact CG2-CD1 3.63Å; T374-I377 HydrophobicContact CG2-CG1 3.44Å; T374-I377 VanDerWaalsContact CG2-CG1 3.44Å; T374-V395 HydrophobicContact CG2-CG1 3.7Å
375	R	91.2	Very high	84	Confident	97 Å²	97	55.1 Å²	55.1	37%	0.366	29%	0.286	S	S	.	.			trans	-91.7	-53.8	177	-60.3	-178.5	-70.6	112.6	-0.5	111.5	D355 A356 N396 K397 G400	D355-R375 CarbonylContact C-O 3.59Å; D355-R375 VanDerWaalsContact CA-O 3.28Å; D355-R375 WeakPolarHBondContact CA-O 3.27Å; A356-R375 PolarHBondContact N-O 2.7Å; R375-N396 WeakPolarHBondContact CA-OD1 3.38Å; R375-N396 VanDerWaalsContact CB-OD1 3.31Å; R375-N396 WeakPolarHBondContact CB-OD1 3.34Å; R375-N396 PolarHBondContact N-OD1 3.22Å; R375-K397 PolarHBondContact NH2-O 3.04Å; R375-G400 PolarHBondContact NH1-O 3.49Å
376	N	92.8	Very high	84.3	Confident	4 Å²	4	54.3 Å²	54.3	2%	0.021	30%	0.302	C	S	.	.			trans	-140.7	153.3	-179.3	51.1	56.1	0	0	0	112.1	I353 P354 N396 K397 S401 F403	I353-N376 WeakPolarHBondContact O-CA 3.48Å; I353-N376 VanDerWaalsContact O-CB 3.27Å; I353-N376 WeakPolarHBondContact O-CB 3.34Å; P354-N376 WeakPolarHBondContact O-CB 3.33Å; N376-N396 PolarHBondContact N-OD1 2.98Å; N376-N396 PolarHBondContact O-N 3.46Å; N376-N396 VanDerWaalsContact OD1-CA 3.25Å; N376-N396 WeakPolarHBondContact OD1-CA 3.27Å; N376-K397 PolarHBondContact OD1-N 2.8Å; N376-S401 PolarHBondContact ND2-O 3.08Å; N376-F403 VanDerWaalsContact OD1-CE2 3.29Å; N376-F403 WeakPolarHBondContact OD1-CE2 3.37Å
377	I	93.7	Very high	85	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	131.1	-170.1	-62.1	168.6	0	0	0	109.9	I340 I353 A356 F362 T374 C379 Q393 M394	I340-I377 HydrophobicContact CG1-CD1 4.07Å; I340-I377 HydrophobicContact CG2-CG2 4.21Å; I353-I377 HydrophobicContact CB-CB 4.2Å; I353-I377 HydrophobicContact CG1-CB 4.48Å; I353-I377 PolarHBondContact N-O 2.86Å; I353-I377 PolarHBondContact O-N 3.34Å; A356-I377 HydrophobicContact CB-CD1 3.82Å; A356-I377 HydrophobicContact CB-CG1 4.25Å; F362-I377 HydrophobicContact CD2-CD1 3.68Å; F362-I377 HydrophobicContact CE2-CD1 3.72Å; T374-I377 HydrophobicContact CG2-CD1 3.63Å; T374-I377 HydrophobicContact CG2-CG1 3.44Å; T374-I377 VanDerWaalsContact CG2-CG1 3.44Å; I377-C379 HydrophobicContact CG2-CB 4.03Å; I377-Q393 HydrophobicContact CG2-CG 3.56Å; I377-M394 WeakPolarHBondContact CA-O 3.47Å
378	L	94.5	Very high	85.6	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	119	163.5	176.3	65.1	0	0	0	108.7	V350 N352 M380 Q393 M394 F403 D407 E408 F411	V350-L378 HydrophobicContact CG1-CD1 4.4Å; N352-L378 HydrophobicContact CB-CD1 3.88Å; L378-M380 HydrophobicContact CD1-CE 4.27Å; L378-Q393 CarbonylContact O-C 3.58Å; L378-Q393 WeakPolarHBondContact O-CA 3.4Å; L378-M394 HydrophobicContact CB-CB 4.31Å; L378-M394 PolarHBondContact N-O 2.6Å; L378-M394 PolarHBondContact O-N 2.79Å; L378-F403 HydrophobicContact CB-CB 4.28Å; L378-F403 HydrophobicContact CB-CD1 4.27Å; L378-F403 HydrophobicContact CB-CD2 3.71Å; L378-F403 HydrophobicContact CB-CE2 4.06Å; L378-F403 HydrophobicContact CB-CG 3.83Å; L378-F403 HydrophobicContact CB-CZ 4.5Å; L378-F403 HydrophobicContact CD2-CB 4.41Å; L378-F403 HydrophobicContact CD2-CD1 4.27Å; L378-F403 HydrophobicContact CD2-CG 4.34Å; L378-D407 HydrophobicContact CD2-CB 4.47Å; L378-E408 HydrophobicContact CD1-CB 4.43Å; L378-E408 HydrophobicContact CD1-CG 4.3Å; L378-F411 HydrophobicContact CD2-CB 4.07Å; L378-F411 HydrophobicContact CD2-CD1 3.64Å; L378-F411 HydrophobicContact CD2-CE1 4.46Å; L378-F411 HydrophobicContact CD2-CG 4.19Å; L378-F411 HydrophobicContact CG-CD1 3.82Å; L378-F411 HydrophobicContact CG-CE1 4.28Å
379	C	93.9	Very high	86.2	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	129.9	-171.5	-165.4	0	0	0	0	111	I340 V344 L351 I377 V391 V392 Q393	I340-C379 HydrophobicContact CG2-CB 3.89Å; V344-C379 HydrophobicContact CG2-CB 3.96Å; L351-C379 PolarHBondContact N-O 3.27Å; L351-C379 PolarHBondContact O-N 3.41Å; I377-C379 HydrophobicContact CG2-CB 4.03Å; C379-V391 WeakPolarHBondContact SG-CG1 3.4Å; C379-V392 CarbonylContact C-O 3.45Å; C379-V392 WeakPolarHBondContact CA-O 3.42Å; C379-Q393 HydrophobicContact CB-CG 4.27Å
380	M	93.9	Very high	87.2	Confident	2 Å²	2	42.2 Å²	42.2	1%	0.01	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	142.8	-176	-68	-167.5	175.8	0	0	112.4	V350 L378 V391 V392 E408 F411 K412 A415	V350-M380 HydrophobicContact CB-CG 4.41Å; V350-M380 HydrophobicContact CG1-CE 3.75Å; V350-M380 HydrophobicContact CG1-CG 3.8Å; V350-M380 HydrophobicContact CG2-CB 4.46Å; V350-M380 HydrophobicContact CG2-CE 4.41Å; V350-M380 HydrophobicContact CG2-CG 3.9Å; V350-M380 HydrophobicContact CG2-SD 4.43Å; L378-M380 HydrophobicContact CD1-CE 4.27Å; M380-V391 WeakPolarHBondContact O-CA 3.29Å; M380-V392 HydrophobicContact CB-CG1 3.91Å; M380-V392 PolarHBondContact N-O 3.27Å; M380-V392 PolarHBondContact O-N 3.23Å; M380-E408 HydrophobicContact CE-CB 4.28Å; M380-E408 HydrophobicContact CE-CG 3.54Å; M380-E408 WeakPolarHBondContact CE-O 3.4Å; M380-F411 HydrophobicContact CB-CD1 4.33Å; M380-F411 HydrophobicContact CB-CE1 3.96Å; M380-F411 HydrophobicContact CE-CB 3.92Å; M380-F411 HydrophobicContact CE-CD1 3.56Å; M380-F411 HydrophobicContact CE-CG 4.12Å; M380-F411 HydrophobicContact CG-CD1 3.59Å; M380-F411 HydrophobicContact CG-CE1 3.65Å; M380-F411 HydrophobicContact SD-CB 4.12Å; M380-F411 HydrophobicContact SD-CD1 3.28Å; M380-F411 WeakPolarHBondContact SD-CD1 3.26Å; M380-F411 HydrophobicContact SD-CE1 3.87Å; M380-F411 HydrophobicContact SD-CG 3.84Å; M380-K412 HydrophobicContact CE-CB 4.26Å; M380-K412 VanDerWaalsContact SD-CA 3.59Å; M380-K412 HydrophobicContact SD-CB 4.18Å; M380-A415 HydrophobicContact CB-CB 4.34Å; M380-A415 HydrophobicContact SD-CB 4.4Å
381	P	93.1	Very high	88.3	Confident	17 Å²	17	39.2 Å²	39.2	11%	0.11	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	148.5	174.8	33.8	-34.5	0	0	0	110.7	V344 G348 V383 V388	V344-P381 HydrophobicContact CG1-CB 3.78Å; V344-P381 HydrophobicContact CG1-CG 4.18Å; V344-P381 VanDerWaalsContact CG1-N 3.33Å; G348-P381 WeakPolarHBondContact O-CG 3.45Å; P381-V383 HydrophobicContact CB-CG2 4.19Å; P381-V383 HydrophobicContact CG-CG2 4.39Å; P381-V388 HydrophobicContact CB-CG1 4.07Å; P381-V388 HydrophobicContact CB-CG2 4.31Å
382	I	91	Very high	89.2	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	110.3	170.8	-61.6	176.1	0	0	0	106.9	L299 V388 I389 G390 V392 C418 A419	L299-I382 HydrophobicContact CD1-CD1 3.18Å; I382-V388 CarbonylContact O-C 3.39Å; I382-V388 WeakPolarHBondContact O-CA 3.26Å; I382-I389 HydrophobicContact CB-CG1 4.43Å; I382-I389 HydrophobicContact CG2-CD1 4.08Å; I382-I389 HydrophobicContact CG2-CG1 3.79Å; I382-I389 WeakPolarHBondContact O-CG1 3.38Å; I382-I389 PolarHBondContact O-N 3.42Å; I382-G390 WeakPolarHBondContact CB-O 3.22Å; I382-G390 PolarHBondContact N-O 3.39Å; I382-G390 PolarHBondContact O-N 3.46Å; I382-V392 HydrophobicContact CD1-CB 4.21Å; I382-V392 HydrophobicContact CG1-CB 4.49Å; I382-V392 HydrophobicContact CG1-CG1 4.36Å; I382-C418 HydrophobicContact CD1-CB 3.66Å; I382-C418 HydrophobicContact CG1-CB 4.21Å; I382-A419 HydrophobicContact CG2-CB 3.4Å; I382-A419 VanDerWaalsContact CG2-CB 3.4Å
383	V	86.9	Confident	89.6	Confident	70 Å²	70	35.3 Å²	35.3	42%	0.424	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	128.8	-172.3	-174.2	0	0	0	0	110	P381 T387 V388	P381-V383 HydrophobicContact CB-CG2 4.19Å; P381-V383 HydrophobicContact CG-CG2 4.39Å; V383-T387 WeakPolarHBondContact CA-O 3.38Å; V383-V388 HydrophobicContact CG2-CG2 4.3Å
384	S	81.9	Confident	89.9	Confident	21 Å²	21	31 Å²	31	15%	0.147	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	126.4	170	-174.4	0	0	0	0	109.5	G386 T387	S384-G386 PolarHBondContact O-N 3.42Å; S384-G386 VanDerWaalsContact O-N 3.14Å; S384-T387 PolarHBondContact N-O 3.31Å; S384-T387 PolarHBondContact O-N 3.3Å
385	R	79.1	Confident	89.9	Confident	218 Å²	218	31.2 Å²	31.2	82%	0.823	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.6	39.8	-179.1	-54.6	-177.7	-174.9	-171	0.9	113.5	T387	R385-T387 VanDerWaalsContact C-N 3.29Å; R385-T387 PolarHBondContact O-N 3.48Å
386	G	81.5	Confident	89.9	Confident	72 Å²	72	26.9 Å²	26.9	74%	0.742	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	79.6	0	179.6	0	0	0	0	0	115.5	S384	S384-G386 PolarHBondContact O-N 3.42Å; S384-G386 VanDerWaalsContact O-N 3.14Å
387	T	88.1	Confident	89.8	Confident	69 Å²	69	27.6 Å²	27.6	42%	0.423	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	137.3	176.2	-54.9	0	0	0	0	110.4	V383 S384 R385 I389	V383-T387 WeakPolarHBondContact CA-O 3.38Å; S384-T387 PolarHBondContact N-O 3.31Å; S384-T387 PolarHBondContact O-N 3.3Å; R385-T387 VanDerWaalsContact C-N 3.29Å; R385-T387 PolarHBondContact O-N 3.48Å; T387-I389 PolarHBondContact O-N 3.11Å
388	V	90.9	Very high	89.4	Confident	20 Å²	20	32.2 Å²	32.2	12%	0.121	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	114.5	171.8	-172.6	0	0	0	0	108.6	V302 H304 P381 I382 V383 G390 V391	V302-V388 HydrophobicContact CG2-CG1 4.35Å; H304-V388 PolarHBondContact NE2-O 3.46Å; P381-V388 HydrophobicContact CB-CG1 4.07Å; P381-V388 HydrophobicContact CB-CG2 4.31Å; I382-V388 CarbonylContact O-C 3.39Å; I382-V388 WeakPolarHBondContact O-CA 3.26Å; V383-V388 HydrophobicContact CG2-CG2 4.3Å; V388-G390 WeakPolarHBondContact CG1-O 3.3Å; V388-V391 HydrophobicContact CG1-CG2 4.37Å
389	I	89.1	Confident	88.6	Confident	30 Å²	30	35.7 Å²	35.7	15%	0.154	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	-13.5	-180	58.4	164.1	0	0	0	112.5	V302 I382 T387 L422	V302-I389 PolarHBondContact N-O 2.82Å; I382-I389 HydrophobicContact CB-CG1 4.43Å; I382-I389 HydrophobicContact CG2-CD1 4.08Å; I382-I389 HydrophobicContact CG2-CG1 3.79Å; I382-I389 WeakPolarHBondContact O-CG1 3.38Å; I382-I389 PolarHBondContact O-N 3.42Å; T387-I389 PolarHBondContact O-N 3.11Å; I389-L422 HydrophobicContact CB-CD2 4.48Å; I389-L422 HydrophobicContact CD1-CB 4.16Å; I389-L422 HydrophobicContact CD1-CD2 3.93Å; I389-L422 HydrophobicContact CD1-CG 4.13Å; I389-L422 HydrophobicContact CG1-CD2 4.08Å
390	G	90.3	Very high	87.6	Confident	0 Å²	0	38 Å²	38	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.2	174.5	179.6	0	0	0	0	0	112	F300 I382 V388	F300-G390 CarbonylContact O-C 3.48Å; F300-G390 WeakPolarHBondContact O-CA 3.42Å; I382-G390 WeakPolarHBondContact CB-O 3.22Å; I382-G390 PolarHBondContact N-O 3.39Å; I382-G390 PolarHBondContact O-N 3.46Å; V388-G390 WeakPolarHBondContact CG1-O 3.3Å
391	V	91.8	Very high	87.1	Confident	0 Å²	0	41 Å²	41	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	133.5	176.4	178.9	0	0	0	0	108.4	F300 A341 V344 A345 C379 M380 V388	F300-V391 PolarHBondContact N-O 2.9Å; F300-V391 PolarHBondContact O-N 3.15Å; A341-V391 HydrophobicContact CB-CG1 4.2Å; V344-V391 HydrophobicContact CB-CG1 4.03Å; V344-V391 HydrophobicContact CB-CG2 4.42Å; V344-V391 HydrophobicContact CG1-CG1 3.84Å; V344-V391 HydrophobicContact CG1-CG2 4.14Å; A345-V391 HydrophobicContact CB-CG2 3.67Å; C379-V391 WeakPolarHBondContact SG-CG1 3.4Å; M380-V391 WeakPolarHBondContact O-CA 3.29Å; V388-V391 HydrophobicContact CG1-CG2 4.37Å
392	V	91.4	Very high	86.8	Confident	0 Å²	0	42 Å²	42	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	137.5	177	64.1	0	0	0	0	110.1	M285 A298 L299 C379 M380 I382 F411 A415	M285-V392 HydrophobicContact CE-CG2 3.43Å; M285-V392 VanDerWaalsContact CE-CG2 3.43Å; M285-V392 HydrophobicContact SD-CG2 3.36Å; M285-V392 WeakPolarHBondContact SD-CG2 3.47Å; A298-V392 WeakPolarHBondContact O-CA 3.26Å; L299-V392 HydrophobicContact CD1-CB 4.33Å; C379-V392 CarbonylContact C-O 3.45Å; C379-V392 WeakPolarHBondContact CA-O 3.42Å; M380-V392 HydrophobicContact CB-CG1 3.91Å; M380-V392 PolarHBondContact N-O 3.27Å; M380-V392 PolarHBondContact O-N 3.23Å; I382-V392 HydrophobicContact CD1-CB 4.21Å; I382-V392 HydrophobicContact CG1-CB 4.49Å; I382-V392 HydrophobicContact CG1-CG1 4.36Å; V392-F411 HydrophobicContact CB-CZ 4.02Å; V392-F411 HydrophobicContact CG1-CE1 3.92Å; V392-F411 HydrophobicContact CG1-CE2 4.09Å; V392-F411 HydrophobicContact CG1-CZ 3.35Å; V392-F411 HydrophobicContact CG2-CE2 4.12Å; V392-F411 HydrophobicContact CG2-CZ 3.65Å; V392-A415 HydrophobicContact CG1-CB 4.43Å
393	Q	91.3	Very high	86.8	Confident	23 Å²	23	42.4 Å²	42.4	11%	0.107	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	131	-174.9	-168.9	-178.9	-15.8	0	0	111	C297 A298 I377 L378 C379 V395	C297-Q393 CarbonylContact C-O 3.58Å; C297-Q393 VanDerWaalsContact CA-O 3.24Å; C297-Q393 WeakPolarHBondContact CA-O 3.25Å; A298-Q393 PolarHBondContact N-O 3.38Å; A298-Q393 PolarHBondContact O-N 3.21Å; I377-Q393 HydrophobicContact CG2-CG 3.56Å; L378-Q393 CarbonylContact O-C 3.58Å; L378-Q393 WeakPolarHBondContact O-CA 3.4Å; C379-Q393 HydrophobicContact CB-CG 4.27Å; Q393-V395 HydrophobicContact CG-CG2 4Å
394	M	91.6	Very high	86.9	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	133.3	168.8	-63.5	-64	168.6	0	0	108.8	M285 A288 K289 V292 A294 C297 I377 L378 F403 F411	M285-M394 HydrophobicContact CE-CE 4.02Å; A288-M394 HydrophobicContact CB-CE 3.45Å; A288-M394 VanDerWaalsContact CB-CE 3.45Å; K289-M394 HydrophobicContact CB-SD 4.17Å; V292-M394 HydrophobicContact CG2-CB 4.1Å; V292-M394 HydrophobicContact CG2-CG 3.78Å; V292-M394 HydrophobicContact CG2-SD 4.16Å; A294-M394 HydrophobicContact CB-CB 4.03Å; A294-M394 HydrophobicContact CB-SD 4.27Å; C297-M394 HydrophobicContact CB-CE 3.85Å; C297-M394 HydrophobicContact CB-SD 3.42Å; C297-M394 WeakPolarHBondContact CB-SD 3.49Å; I377-M394 WeakPolarHBondContact CA-O 3.47Å; L378-M394 HydrophobicContact CB-CB 4.31Å; L378-M394 PolarHBondContact N-O 2.6Å; L378-M394 PolarHBondContact O-N 2.79Å; M394-F403 HydrophobicContact CB-CE1 4.38Å; M394-F403 HydrophobicContact CB-CZ 4.11Å; M394-F411 HydrophobicContact CE-CD2 4.06Å; M394-F411 HydrophobicContact CE-CE2 3.29Å; M394-F411 HydrophobicContact CE-CZ 3.77Å; M394-F411 HydrophobicContact CG-CD1 4.44Å; M394-F411 HydrophobicContact CG-CD2 4.35Å; M394-F411 HydrophobicContact CG-CE1 3.97Å; M394-F411 HydrophobicContact CG-CE2 3.89Å; M394-F411 HydrophobicContact CG-CZ 3.66Å; M394-F411 HydrophobicContact SD-CE2 4.47Å
395	V	90.6	Very high	87.1	Confident	13 Å²	13	47.2 Å²	47.2	8%	0.079	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	131.8	-171.1	-175	0	0	0	0	109.4	D295 R296 Y372 T374 Q393	D295-V395 PolarHBondContact N-O 2.83Å; D295-V395 VanDerWaalsContact N-O 3.12Å; R296-V395 HydrophobicContact CB-CB 4.32Å; R296-V395 PolarHBondContact N-O 3.45Å; R296-V395 VanDerWaalsContact N-O 3.15Å; R296-V395 PolarHBondContact O-N 2.7Å; Y372-V395 HydrophobicContact CE1-CG1 3.73Å; T374-V395 HydrophobicContact CG2-CG1 3.7Å; Q393-V395 HydrophobicContact CG-CG2 4Å
396	N	90.7	Very high	87.2	Confident	5 Å²	5	41 Å²	41	3%	0.027	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	58.1	100.3	175.3	-71.4	-12.7	0	0	0	114.7	A294 D295 Y372 T373 R375 N376 L398	A294-N396 CarbonylContact C-O 3.32Å; A294-N396 WeakPolarHBondContact CA-O 3.35Å; D295-N396 HydrophobicContact CB-CB 3.81Å; D295-N396 WeakPolarHBondContact CB-O 3.22Å; D295-N396 PolarHBondContact N-O 3.37Å; Y372-N396 PolarHBondContact OH-ND2 3.06Å; T373-N396 PolarHBondContact O-ND2 3.13Å; R375-N396 WeakPolarHBondContact CA-OD1 3.38Å; R375-N396 VanDerWaalsContact CB-OD1 3.31Å; R375-N396 WeakPolarHBondContact CB-OD1 3.34Å; R375-N396 PolarHBondContact N-OD1 3.22Å; N376-N396 PolarHBondContact N-OD1 2.98Å; N376-N396 PolarHBondContact O-N 3.46Å; N376-N396 VanDerWaalsContact OD1-CA 3.25Å; N376-N396 WeakPolarHBondContact OD1-CA 3.27Å; N396-L398 PolarHBondContact O-N 2.63Å
397	K	91.2	Very high	87.5	Confident	19 Å²	19	38.2 Å²	38.2	8%	0.083	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	129.7	167.4	-168.3	79.5	-179.1	-168.5	0	110.6	V292 N293 R375 N376 S399 G400 S401 F403 D407	V292-K397 WeakPolarHBondContact O-CD 3.15Å; V292-K397 VanDerWaalsContact O-CE 3.25Å; V292-K397 WeakPolarHBondContact O-CE 3.23Å; V292-K397 PolarHBondContact O-NZ 2.94Å; N293-K397 HydrophobicContact CB-CD 4.49Å; R375-K397 PolarHBondContact NH2-O 3.04Å; N376-K397 PolarHBondContact OD1-N 2.8Å; K397-S399 VanDerWaalsContact C-N 3.28Å; K397-S399 WeakPolarHBondContact CG-OG 3.43Å; K397-S399 PolarHBondContact O-N 3.46Å; K397-G400 PolarHBondContact O-N 3.14Å; K397-S401 VanDerWaalsContact CB-O 3.24Å; K397-S401 WeakPolarHBondContact CB-O 3.44Å; K397-F403 HydrophobicContact CB-CD1 4.43Å; K397-F403 HydrophobicContact CB-CE1 4.16Å; K397-F403 HydrophobicContact CB-CE2 4.46Å; K397-F403 HydrophobicContact CB-CZ 4.18Å; K397-F403 HydrophobicContact CD-CD1 3.69Å; K397-F403 HydrophobicContact CD-CE1 3.69Å; K397-D407 IonicContact NZ-OD1 3.26Å; K397-D407 PolarHBondContact NZ-OD1 3.41Å; K397-D407 IonicContact NZ-OD2 3.8Å; K397-D407 PolarHBondContact NZ-OD2 3.3Å
398	L	85.6	Confident	87.5	Confident	98 Å²	98	36.6 Å²	36.6	51%	0.513	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-24.4	-177.8	-68.6	174.8	0	0	0	113.2	N293 D295 N396 G400	N293-L398 PolarHBondContact O-N 3.49Å; N293-L398 WeakPolarHBondContact OD1-CD1 3.38Å; D295-L398 HydrophobicContact CB-CD2 3.91Å; N396-L398 PolarHBondContact O-N 2.63Å; L398-G400 PolarHBondContact O-N 2.9Å
399	S	77.8	Confident	87.2	Confident	72 Å²	72	40.2 Å²	40.2	50%	0.503	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-9.5	174.6	57.1	0	0	0	0	114.3	K397 S401	K397-S399 VanDerWaalsContact C-N 3.28Å; K397-S399 WeakPolarHBondContact CG-OG 3.43Å; K397-S399 PolarHBondContact O-N 3.46Å; S399-S401 VanDerWaalsContact C-N 3.27Å; S399-S401 PolarHBondContact O-N 2.93Å; S399-S401 PolarHBondContact OG-OG 3.05Å
400	G	72.6	Confident	86.8	Confident	49 Å²	49	41.8 Å²	41.8	51%	0.505	25%	0.248	S	C	.	.	S	Bend	trans	86.8	-17.7	-177.4	0	0	0	0	0	114.8	R375 K397 L398	R375-G400 PolarHBondContact NH1-O 3.49Å; K397-G400 PolarHBondContact O-N 3.14Å; L398-G400 PolarHBondContact O-N 2.9Å
401	S	82.3	Confident	86.5	Confident	66 Å²	66	41.8 Å²	41.8	46%	0.462	25%	0.248	S	C	.	.	S	Bend	trans	-85.9	173.4	176.3	35.4	0	0	0	0	113	N376 K397 S399	N376-S401 PolarHBondContact ND2-O 3.08Å; K397-S401 VanDerWaalsContact CB-O 3.24Å; K397-S401 WeakPolarHBondContact CB-O 3.44Å; S399-S401 VanDerWaalsContact C-N 3.27Å; S399-S401 PolarHBondContact O-N 2.93Å; S399-S401 PolarHBondContact OG-OG 3.05Å
402	A	87.8	Confident	86.1	Confident	37 Å²	37	48.1 Å²	48.1	31%	0.306	28%	0.275	S	S	.	.	P	Polyproline II helix	trans	-72.7	161.7	170.7	0	0	0	0	0	111.8	P354	P354-A402 HydrophobicContact CB-CB 3.83Å; P354-A402 HydrophobicContact CG-CB 4.45Å
403	F	91.3	Very high	85.4	Confident	9 Å²	9	51.9 Å²	51.9	4%	0.039	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-65.5	137.6	175.1	-67.2	-84.2	0	0	0	111	V292 A294 N352 N376 L378 M394 K397 D407	V292-F403 HydrophobicContact CB-CD1 4.43Å; V292-F403 HydrophobicContact CB-CE1 4.26Å; V292-F403 HydrophobicContact CG2-CE1 3.98Å; A294-F403 HydrophobicContact CB-CE1 4.05Å; A294-F403 HydrophobicContact CB-CZ 3.99Å; N352-F403 PolarHBondContact ND2-O 3.35Å; N376-F403 VanDerWaalsContact OD1-CE2 3.29Å; N376-F403 WeakPolarHBondContact OD1-CE2 3.37Å; L378-F403 HydrophobicContact CB-CB 4.28Å; L378-F403 HydrophobicContact CB-CD1 4.27Å; L378-F403 HydrophobicContact CB-CD2 3.71Å; L378-F403 HydrophobicContact CB-CE2 4.06Å; L378-F403 HydrophobicContact CB-CG 3.83Å; L378-F403 HydrophobicContact CB-CZ 4.5Å; L378-F403 HydrophobicContact CD2-CB 4.41Å; L378-F403 HydrophobicContact CD2-CD1 4.27Å; L378-F403 HydrophobicContact CD2-CG 4.34Å; M394-F403 HydrophobicContact CB-CE1 4.38Å; M394-F403 HydrophobicContact CB-CZ 4.11Å; K397-F403 HydrophobicContact CB-CD1 4.43Å; K397-F403 HydrophobicContact CB-CE1 4.16Å; K397-F403 HydrophobicContact CB-CE2 4.46Å; K397-F403 HydrophobicContact CB-CZ 4.18Å; K397-F403 HydrophobicContact CD-CD1 3.69Å; K397-F403 HydrophobicContact CD-CE1 3.69Å; F403-D407 HydrophobicContact CB-CB 4.27Å; F403-D407 HydrophobicContact CD1-CB 4.23Å
404	T	88.5	Confident	84.7	Confident	68 Å²	68	50.9 Å²	50.9	42%	0.417	29%	0.289	S	S	.	.	P	Polyproline II helix	trans	-84.9	166.3	-178	64.8	0	0	0	0	112	T406 D407 E408	T404-T406 PolarHBondContact O-N 3.39Å; T404-D407 PolarHBondContact N-OD2 3.41Å; T404-D407 WeakPolarHBondContact O-CB 3.35Å; T404-D407 PolarHBondContact O-N 3.45Å; T404-D407 VanDerWaalsContact O-N 3.09Å; T404-D407 PolarHBondContact OG1-N 3.12Å; T404-D407 VanDerWaalsContact OG1-N 3.16Å; T404-D407 PolarHBondContact OG1-OD2 3.34Å; T404-E408 PolarHBondContact O-N 3.1Å; T404-E408 VanDerWaalsContact O-N 3.12Å
405	K	85.3	Confident	84.1	Confident	124 Å²	124	51.3 Å²	51.3	54%	0.539	29%	0.293	S	S	.	.	H	α-helix	trans	-63	-29.8	173	-166.4	66.4	-172.8	177	0	112.4	E408 N409	K405-E408 WeakPolarHBondContact CD-OE2 3.4Å; K405-E408 IonicContact NZ-OE1 2.66Å; K405-E408 PolarHBondContact NZ-OE1 3.39Å; K405-E408 IonicContact NZ-OE2 3.77Å; K405-E408 PolarHBondContact NZ-OE2 3.19Å; K405-E408 WeakPolarHBondContact O-CB 3.35Å; K405-E408 PolarHBondContact O-N 3.19Å; K405-N409 PolarHBondContact O-N 2.91Å
406	T	82.7	Confident	83.6	Confident	87 Å²	87	54.7 Å²	54.7	53%	0.534	31%	0.313	S	S	.	.	H	α-helix	trans	-65.5	-40.7	172.7	-50.1	0	0	0	0	111.3	T404 E408 N409 N410	T404-T406 PolarHBondContact O-N 3.39Å; T406-E408 VanDerWaalsContact C-N 3.31Å; T406-E408 PolarHBondContact O-N 3.08Å; T406-N409 PolarHBondContact O-N 3.25Å; T406-N410 WeakPolarHBondContact O-CB 3.27Å; T406-N410 PolarHBondContact O-N 3.25Å; T406-N410 PolarHBondContact O-ND2 3.43Å
407	D	86.3	Confident	82.9	Confident	13 Å²	13	56.9 Å²	56.9	7%	0.07	32%	0.323	C	S	.	.	H	α-helix	trans	-61.5	-41.3	174.5	-62.9	-48.3	0	0	0	111.3	V292 L378 K397 F403 T404 N410 F411	V292-D407 HydrophobicContact CB-CB 4.33Å; V292-D407 HydrophobicContact CG1-CB 4.12Å; L378-D407 HydrophobicContact CD2-CB 4.47Å; K397-D407 IonicContact NZ-OD1 3.26Å; K397-D407 PolarHBondContact NZ-OD1 3.41Å; K397-D407 IonicContact NZ-OD2 3.8Å; K397-D407 PolarHBondContact NZ-OD2 3.3Å; F403-D407 HydrophobicContact CB-CB 4.27Å; F403-D407 HydrophobicContact CD1-CB 4.23Å; T404-D407 PolarHBondContact N-OD2 3.41Å; T404-D407 WeakPolarHBondContact O-CB 3.35Å; T404-D407 PolarHBondContact O-N 3.45Å; T404-D407 VanDerWaalsContact O-N 3.09Å; T404-D407 PolarHBondContact OG1-N 3.12Å; T404-D407 VanDerWaalsContact OG1-N 3.16Å; T404-D407 PolarHBondContact OG1-OD2 3.34Å; D407-N410 PolarHBondContact O-N 2.9Å; D407-F411 WeakPolarHBondContact O-CB 3.16Å; D407-F411 PolarHBondContact O-N 3.07Å
408	E	88.6	Confident	82.4	Confident	35 Å²	35	56.1 Å²	56.1	16%	0.164	32%	0.319	C	S	.	.	H	α-helix	trans	-61.7	-46.8	175.2	-167.7	-170.2	136.8	0	0	111.8	V350 L378 M380 T404 K405 T406 N410 F411 K412	V350-E408 HydrophobicContact CG1-CG 3.88Å; L378-E408 HydrophobicContact CD1-CB 4.43Å; L378-E408 HydrophobicContact CD1-CG 4.3Å; M380-E408 HydrophobicContact CE-CB 4.28Å; M380-E408 HydrophobicContact CE-CG 3.54Å; M380-E408 WeakPolarHBondContact CE-O 3.4Å; T404-E408 PolarHBondContact O-N 3.1Å; T404-E408 VanDerWaalsContact O-N 3.12Å; K405-E408 WeakPolarHBondContact CD-OE2 3.4Å; K405-E408 IonicContact NZ-OE1 2.66Å; K405-E408 PolarHBondContact NZ-OE1 3.39Å; K405-E408 IonicContact NZ-OE2 3.77Å; K405-E408 PolarHBondContact NZ-OE2 3.19Å; K405-E408 WeakPolarHBondContact O-CB 3.35Å; K405-E408 PolarHBondContact O-N 3.19Å; T406-E408 VanDerWaalsContact C-N 3.31Å; T406-E408 PolarHBondContact O-N 3.08Å; E408-N410 PolarHBondContact O-N 3.35Å; E408-F411 PolarHBondContact O-N 3.36Å; E408-K412 WeakPolarHBondContact O-CB 3.25Å; E408-K412 PolarHBondContact O-N 3.23Å
409	N	84.2	Confident	82.2	Confident	96 Å²	96	51.9 Å²	51.9	51%	0.513	30%	0.298	S	S	.	.	H	α-helix	trans	-64.3	-41.7	178.8	-71.4	-21.7	0	0	0	112	K405 T406	K405-N409 PolarHBondContact O-N 2.91Å; T406-N409 PolarHBondContact O-N 3.25Å
410	N	81.1	Confident	82.2	Confident	63 Å²	63	52.8 Å²	52.8	34%	0.337	30%	0.297	S	S	.	.	H	α-helix	trans	-64	-45.2	177.6	-72.5	-10	0	0	0	111.1	L291 T406 D407 E408 K412 M413 F414	L291-N410 HydrophobicContact CD2-CB 3.93Å; L291-N410 HydrophobicContact CG-CB 4.36Å; T406-N410 WeakPolarHBondContact O-CB 3.27Å; T406-N410 PolarHBondContact O-N 3.25Å; T406-N410 PolarHBondContact O-ND2 3.43Å; D407-N410 PolarHBondContact O-N 2.9Å; E408-N410 PolarHBondContact O-N 3.35Å; N410-K412 VanDerWaalsContact C-N 3.34Å; N410-K412 PolarHBondContact O-N 3.04Å; N410-M413 PolarHBondContact O-N 3.47Å; N410-F414 WeakPolarHBondContact O-CD2 3.32Å; N410-F414 WeakPolarHBondContact O-CE2 3.25Å
411	F	84.5	Confident	82.4	Confident	1 Å²	1	50.6 Å²	50.6	0%	0.004	27%	0.274	C	S	.	.	H	α-helix	trans	-69.8	-30.2	-177.5	-175.3	-137.3	0	0	0	113.3	A288 V292 L378 M380 V392 M394 D407 E408 M413 F414 A415	A288-F411 HydrophobicContact CB-CD2 4.17Å; A288-F411 HydrophobicContact CB-CE2 4.11Å; V292-F411 HydrophobicContact CG1-CB 3.98Å; L378-F411 HydrophobicContact CD2-CB 4.07Å; L378-F411 HydrophobicContact CD2-CD1 3.64Å; L378-F411 HydrophobicContact CD2-CE1 4.46Å; L378-F411 HydrophobicContact CD2-CG 4.19Å; L378-F411 HydrophobicContact CG-CD1 3.82Å; L378-F411 HydrophobicContact CG-CE1 4.28Å; M380-F411 HydrophobicContact CB-CD1 4.33Å; M380-F411 HydrophobicContact CB-CE1 3.96Å; M380-F411 HydrophobicContact CE-CB 3.92Å; M380-F411 HydrophobicContact CE-CD1 3.56Å; M380-F411 HydrophobicContact CE-CG 4.12Å; M380-F411 HydrophobicContact CG-CD1 3.59Å; M380-F411 HydrophobicContact CG-CE1 3.65Å; M380-F411 HydrophobicContact SD-CB 4.12Å; M380-F411 HydrophobicContact SD-CD1 3.28Å; M380-F411 WeakPolarHBondContact SD-CD1 3.26Å; M380-F411 HydrophobicContact SD-CE1 3.87Å; M380-F411 HydrophobicContact SD-CG 3.84Å; V392-F411 HydrophobicContact CB-CZ 4.02Å; V392-F411 HydrophobicContact CG1-CE1 3.92Å; V392-F411 HydrophobicContact CG1-CE2 4.09Å; V392-F411 HydrophobicContact CG1-CZ 3.35Å; V392-F411 HydrophobicContact CG2-CE2 4.12Å; V392-F411 HydrophobicContact CG2-CZ 3.65Å; M394-F411 HydrophobicContact CE-CD2 4.06Å; M394-F411 HydrophobicContact CE-CE2 3.29Å; M394-F411 HydrophobicContact CE-CZ 3.77Å; M394-F411 HydrophobicContact CG-CD1 4.44Å; M394-F411 HydrophobicContact CG-CD2 4.35Å; M394-F411 HydrophobicContact CG-CE1 3.97Å; M394-F411 HydrophobicContact CG-CE2 3.89Å; M394-F411 HydrophobicContact CG-CZ 3.66Å; M394-F411 HydrophobicContact SD-CE2 4.47Å; D407-F411 WeakPolarHBondContact O-CB 3.16Å; D407-F411 PolarHBondContact O-N 3.07Å; E408-F411 PolarHBondContact O-N 3.36Å; F411-M413 PolarHBondContact O-N 3.04Å; F411-F414 HydrophobicContact CD2-CB 4.4Å; F411-F414 PolarHBondContact O-N 3.11Å; F411-A415 PolarHBondContact O-N 3.02Å
412	K	83.5	Confident	82.2	Confident	133 Å²	133	47.5 Å²	47.5	58%	0.578	25%	0.253	S	S	*	.	H	α-helix	trans	-57.4	-34	178.1	-170.5	174.7	-177.3	177.1	0	113.2	M380 E408 N410 F414	M380-K412 HydrophobicContact CE-CB 4.26Å; M380-K412 VanDerWaalsContact SD-CA 3.59Å; M380-K412 HydrophobicContact SD-CB 4.18Å; E408-K412 WeakPolarHBondContact O-CB 3.25Å; E408-K412 PolarHBondContact O-N 3.23Å; N410-K412 VanDerWaalsContact C-N 3.34Å; N410-K412 PolarHBondContact O-N 3.04Å; K412-F414 VanDerWaalsContact C-N 3.31Å; K412-F414 PolarHBondContact O-N 3.35Å
413	M	76.6	Confident	81.7	Confident	79 Å²	79	48.7 Å²	48.7	39%	0.389	25%	0.252	S	S	.	.	H	α-helix	trans	-62.6	-39.4	176.3	-171.5	-176.7	-65	0	0	111.6	L259 L263 N410 F411 V416 F417	L259-M413 HydrophobicContact CD1-SD 4.23Å; L259-M413 HydrophobicContact CD2-CE 4.16Å; L259-M413 HydrophobicContact CD2-SD 4.04Å; L259-M413 HydrophobicContact CG-SD 4.44Å; L263-M413 HydrophobicContact CD1-SD 3.93Å; N410-M413 PolarHBondContact O-N 3.47Å; F411-M413 PolarHBondContact O-N 3.04Å; M413-V416 WeakPolarHBondContact O-CB 3.47Å; M413-V416 PolarHBondContact O-N 3.18Å; M413-F417 HydrophobicContact CG-CE2 3.98Å; M413-F417 WeakPolarHBondContact O-CD2 3.47Å
414	F	76.9	Confident	81	Confident	1 Å²	1	49.2 Å²	49.2	0%	0.004	26%	0.256	C	S	.	.	H	α-helix	trans	-74.8	-32.7	-178	-65.2	-88.7	0	0	0	112.9	L259 F262 I284 Y287 A288 L291 N410 F411 K412 V416 F417 C418	L259-F414 HydrophobicContact CD1-CE1 4.46Å; L259-F414 HydrophobicContact CD1-CE2 4.1Å; L259-F414 HydrophobicContact CD1-CZ 3.49Å; L259-F414 VanDerWaalsContact CD1-CZ 3.49Å; F262-F414 AromaticContact CD1-CE1 3.74Å; F262-F414 HydrophobicContact CD1-CE1 3.74Å; F262-F414 HydrophobicContact CE1-CD1 4.09Å; F262-F414 AromaticContact CE1-CE1 3.54Å; F262-F414 HydrophobicContact CE1-CE1 3.54Å; I284-F414 HydrophobicContact CG2-CD1 4.37Å; Y287-F414 HydrophobicContact CD1-CD1 4.38Å; Y287-F414 AromaticContact CD1-CE1 3.36Å; Y287-F414 HydrophobicContact CD1-CE1 3.36Å; Y287-F414 AromaticContact CD1-CZ 3.55Å; Y287-F414 HydrophobicContact CD1-CZ 3.55Å; Y287-F414 AromaticContact CE1-CE1 3.79Å; Y287-F414 HydrophobicContact CE1-CE1 3.79Å; Y287-F414 AromaticContact CE1-CZ 3.54Å; Y287-F414 HydrophobicContact CE1-CZ 3.54Å; Y287-F414 HydrophobicContact CG-CE1 4.41Å; A288-F414 HydrophobicContact CB-CB 4.06Å; A288-F414 HydrophobicContact CB-CD1 4.14Å; A288-F414 HydrophobicContact CB-CG 3.94Å; L291-F414 HydrophobicContact CD2-CD2 4.07Å; L291-F414 HydrophobicContact CD2-CE2 3.17Å; L291-F414 HydrophobicContact CD2-CZ 3.65Å; N410-F414 WeakPolarHBondContact O-CD2 3.32Å; N410-F414 WeakPolarHBondContact O-CE2 3.25Å; F411-F414 HydrophobicContact CD2-CB 4.4Å; F411-F414 PolarHBondContact O-N 3.11Å; K412-F414 VanDerWaalsContact C-N 3.31Å; K412-F414 PolarHBondContact O-N 3.35Å; F414-V416 PolarHBondContact O-N 2.97Å; F414-F417 PolarHBondContact O-N 2.91Å; F414-C418 PolarHBondContact O-N 3.14Å; F414-C418 PolarHBondContact O-SG 2.71Å; F414-C418 VanDerWaalsContact O-SG 3.39Å
415	A	78.8	Confident	80.4	Confident	10 Å²	10	46.4 Å²	46.4	8%	0.083	24%	0.24	C	C	.	.	H	α-helix	trans	-57	-33	174.2	0	0	0	0	0	112.2	M380 V392 F411 A419	M380-A415 HydrophobicContact CB-CB 4.34Å; M380-A415 HydrophobicContact SD-CB 4.4Å; V392-A415 HydrophobicContact CG1-CB 4.43Å; F411-A415 PolarHBondContact O-N 3.02Å; A415-A419 PolarHBondContact O-N 2.93Å; A415-A419 VanDerWaalsContact O-N 3.09Å
416	V	79.1	Confident	79.9	Confident	84 Å²	84	43.4 Å²	43.4	51%	0.509	23%	0.23	S	C	.	.	H	α-helix	trans	-67.7	-43.8	174.3	-179.8	0	0	0	0	111.5	M413 F414 A419 L420	M413-V416 WeakPolarHBondContact O-CB 3.47Å; M413-V416 PolarHBondContact O-N 3.18Å; F414-V416 PolarHBondContact O-N 2.97Å; V416-A419 WeakPolarHBondContact O-CB 3.48Å; V416-A419 PolarHBondContact O-N 2.8Å; V416-A419 VanDerWaalsContact O-N 3.12Å; V416-L420 PolarHBondContact O-N 2.85Å; V416-L420 VanDerWaalsContact O-N 3.09Å
417	F	77.4	Confident	79.6	Confident	51 Å²	51	43.9 Å²	43.9	22%	0.224	23%	0.227	C	C	.	.	H	α-helix	trans	-67	-38.6	177.8	-70.6	-73	0	0	0	112.4	L263 V266 I284 M413 F414 A419 L420 A421	L263-F417 HydrophobicContact CD1-CE2 4.3Å; L263-F417 HydrophobicContact CD1-CZ 4.27Å; L263-F417 HydrophobicContact CD2-CD2 3.75Å; L263-F417 HydrophobicContact CD2-CE1 4.23Å; L263-F417 HydrophobicContact CD2-CE2 3.2Å; L263-F417 HydrophobicContact CD2-CG 4.48Å; L263-F417 HydrophobicContact CD2-CZ 3.49Å; L263-F417 VanDerWaalsContact CD2-CZ 3.49Å; L263-F417 HydrophobicContact CG-CE2 4.32Å; L263-F417 HydrophobicContact CG-CZ 4.33Å; V266-F417 HydrophobicContact CG1-CD1 4.16Å; I284-F417 HydrophobicContact CD1-CB 4.3Å; M413-F417 HydrophobicContact CG-CE2 3.98Å; M413-F417 WeakPolarHBondContact O-CD2 3.47Å; F414-F417 PolarHBondContact O-N 2.91Å; F417-A419 VanDerWaalsContact C-N 3.25Å; F417-A419 PolarHBondContact O-N 3.4Å; F417-L420 PolarHBondContact O-N 3.09Å; F417-A421 WeakPolarHBondContact O-CB 3.38Å; F417-A421 PolarHBondContact O-N 2.93Å
418	C	79.7	Confident	79.1	Confident	2 Å²	2	45.7 Å²	45.7	1%	0.014	23%	0.233	C	C	.	.	H	α-helix	trans	-59.3	-37.9	170.2	-64.4	0	0	0	0	111.6	I284 I382 F414 L422	I284-C418 WeakPolarHBondContact CG2-SG 3.43Å; I382-C418 HydrophobicContact CD1-CB 3.66Å; I382-C418 HydrophobicContact CG1-CB 4.21Å; F414-C418 PolarHBondContact O-N 3.14Å; F414-C418 PolarHBondContact O-SG 2.71Å; F414-C418 VanDerWaalsContact O-SG 3.39Å; C418-L422 WeakPolarHBondContact O-CB 3.44Å; C418-L422 PolarHBondContact O-N 3.35Å
419	A	81.3	Confident	78.5	Confident	9 Å²	9	49.3 Å²	49.3	7%	0.074	25%	0.25	C	S	.	.	H	α-helix	trans	-64.6	-43.5	178.1	0	0	0	0	0	112.6	I382 A415 V416 F417 H423	I382-A419 HydrophobicContact CG2-CB 3.4Å; I382-A419 VanDerWaalsContact CG2-CB 3.4Å; A415-A419 PolarHBondContact O-N 2.93Å; A415-A419 VanDerWaalsContact O-N 3.09Å; V416-A419 WeakPolarHBondContact O-CB 3.48Å; V416-A419 PolarHBondContact O-N 2.8Å; V416-A419 VanDerWaalsContact O-N 3.12Å; F417-A419 VanDerWaalsContact C-N 3.25Å; F417-A419 PolarHBondContact O-N 3.4Å; A419-H423 VanDerWaalsContact O-CB 3.27Å; A419-H423 WeakPolarHBondContact O-CB 3.49Å; A419-H423 PolarHBondContact O-N 3.38Å
420	L	77.9	Confident	78.3	Confident	91 Å²	91	54.2 Å²	54.2	48%	0.476	26%	0.261	S	S	.	.	H	α-helix	trans	-65.1	-48.6	176.9	-67.9	171.6	0	0	0	111.3	V416 F417 L422 H423 C424	V416-L420 PolarHBondContact O-N 2.85Å; V416-L420 VanDerWaalsContact O-N 3.09Å; F417-L420 PolarHBondContact O-N 3.09Å; L420-L422 PolarHBondContact O-N 3.4Å; L420-H423 PolarHBondContact O-N 3.03Å; L420-C424 PolarHBondContact O-N 3.02Å; L420-C424 VanDerWaalsContact O-N 3.08Å
421	A	77.4	Confident	78.3	Confident	3 Å²	3	56 Å²	56	3%	0.025	27%	0.27	C	S	.	.	H	α-helix	trans	-60.2	-46.1	179.1	0	0	0	0	0	111.7	I277 L280 L281 I284 F417 H423 C424 A425	I277-A421 WeakPolarHBondContact CG2-O 3.24Å; L280-A421 HydrophobicContact CD2-CB 4.21Å; L281-A421 HydrophobicContact CD2-CB 3.57Å; L281-A421 HydrophobicContact CG-CB 4.11Å; I284-A421 HydrophobicContact CD1-CB 4.18Å; F417-A421 WeakPolarHBondContact O-CB 3.38Å; F417-A421 PolarHBondContact O-N 2.93Å; A421-H423 PolarHBondContact O-N 2.79Å; A421-C424 PolarHBondContact O-N 3.21Å; A421-A425 PolarHBondContact O-N 3Å
422	L	77.8	Confident	78.1	Confident	1 Å²	1	61 Å²	61	1%	0.005	29%	0.289	C	S	.	.	H	α-helix	trans	-68	-35.9	179.3	-171.9	62.6	0	0	0	112.7	Q301 I389 C418 L420 A425 N426	Q301-L422 VanDerWaalsContact CD-CD1 3.46Å; Q301-L422 HydrophobicContact CG-CD1 3.82Å; Q301-L422 HydrophobicContact CG-CD2 4.12Å; I389-L422 HydrophobicContact CB-CD2 4.48Å; I389-L422 HydrophobicContact CD1-CB 4.16Å; I389-L422 HydrophobicContact CD1-CD2 3.93Å; I389-L422 HydrophobicContact CD1-CG 4.13Å; I389-L422 HydrophobicContact CG1-CD2 4.08Å; C418-L422 WeakPolarHBondContact O-CB 3.44Å; C418-L422 PolarHBondContact O-N 3.35Å; L420-L422 PolarHBondContact O-N 3.4Å; L422-A425 PolarHBondContact O-N 3.5Å; L422-N426 PolarHBondContact O-N 3.39Å; L422-N426 VanDerWaalsContact O-N 3.09Å; L422-N426 PolarHBondContact O-ND2 3.01Å
423	H	77.8	Confident	78	Confident	63 Å²	63	60.6 Å²	60.6	29%	0.292	29%	0.288	S	S	.	.	H	α-helix	trans	-62.4	-43.9	174.5	-174.3	65.8	0	0	0	111.8	A419 L420 A421 N426 M427	A419-H423 VanDerWaalsContact O-CB 3.27Å; A419-H423 WeakPolarHBondContact O-CB 3.49Å; A419-H423 PolarHBondContact O-N 3.38Å; L420-H423 PolarHBondContact O-N 3.03Å; A421-H423 PolarHBondContact O-N 2.79Å; H423-N426 PolarHBondContact O-N 3.09Å; H423-M427 PolarHBondContact O-N 3.4Å
424	C	75.4	Confident	78.3	Confident	20 Å²	20	60.4 Å²	60.4	14%	0.135	30%	0.295	C	S	.	.	H	α-helix	trans	-67	-39.8	176.6	-71.7	0	0	0	0	112.4	Y270 I277 L420 A421 N426 M427 Y428	Y270-C424 HydrophobicContact CE2-CB 4.32Å; Y270-C424 WeakPolarHBondContact CE2-SG 3.48Å; Y270-C424 PolarHBondContact OH-SG 3.43Å; I277-C424 HydrophobicContact CD1-CB 4.18Å; L420-C424 PolarHBondContact O-N 3.02Å; L420-C424 VanDerWaalsContact O-N 3.08Å; A421-C424 PolarHBondContact O-N 3.21Å; C424-N426 VanDerWaalsContact C-N 3.3Å; C424-N426 PolarHBondContact O-N 2.94Å; C424-M427 PolarHBondContact O-N 3.29Å; C424-Y428 WeakPolarHBondContact O-CB 3.47Å; C424-Y428 PolarHBondContact O-N 3.21Å
425	A	75.4	Confident	78.7	Confident	8 Å²	8	64.2 Å²	64.2	7%	0.066	31%	0.313	C	S	.	.	H	α-helix	trans	-53.6	-50.9	173.7	0	0	0	0	0	110.5	I277 A421 L422 M427 Y428 H429	I277-A425 HydrophobicContact CB-CB 4.44Å; I277-A425 HydrophobicContact CG2-CB 3.58Å; A421-A425 PolarHBondContact O-N 3Å; L422-A425 PolarHBondContact O-N 3.5Å; A425-M427 PolarHBondContact O-N 3.44Å; A425-Y428 PolarHBondContact O-N 2.95Å; A425-H429 PolarHBondContact O-CD2 2.95Å; A425-H429 PolarHBondContact O-N 3.47Å
426	N	75.3	Confident	79	Confident	61 Å²	61	66.1 Å²	66.1	33%	0.326	33%	0.325	S	S	.	.	H	α-helix	trans	-63.8	-42.2	-179.7	-78.7	-35.7	0	0	0	112.8	L422 H423 C424 Y428 H429 R430	L422-N426 PolarHBondContact O-N 3.39Å; L422-N426 VanDerWaalsContact O-N 3.09Å; L422-N426 PolarHBondContact O-ND2 3.01Å; H423-N426 PolarHBondContact O-N 3.09Å; C424-N426 VanDerWaalsContact C-N 3.3Å; C424-N426 PolarHBondContact O-N 2.94Å; N426-Y428 VanDerWaalsContact C-N 3.33Å; N426-H429 PolarHBondContact O-N 3.32Å; N426-R430 VanDerWaalsContact O-CG 3.3Å; N426-R430 WeakPolarHBondContact O-CG 3.45Å; N426-R430 PolarHBondContact O-N 2.91Å; N426-R430 VanDerWaalsContact O-N 3.07Å
427	M	76.9	Confident	79.4	Confident	98 Å²	98	66.3 Å²	66.3	48%	0.483	32%	0.322	S	S	.	.	H	α-helix	trans	-62.4	-42.9	176.1	-172.7	174.7	69.6	0	0	111.3	H423 C424 A425 R430 I431	H423-M427 PolarHBondContact O-N 3.4Å; C424-M427 PolarHBondContact O-N 3.29Å; A425-M427 PolarHBondContact O-N 3.44Å; M427-R430 PolarHBondContact O-N 3.46Å; M427-I431 HydrophobicContact CG-CD1 4.21Å; M427-I431 WeakPolarHBondContact O-CG1 3.4Å; M427-I431 PolarHBondContact O-N 2.89Å
428	Y	76.1	Confident	79.6	Confident	50 Å²	50	71.1 Å²	71.1	20%	0.196	34%	0.34	C	S	.	.	H	α-helix	trans	-63.4	-47.1	177.4	179.3	-104.2	0	0	0	112.3	I274 C424 A425 N426 R430 I431 R432	I274-Y428 HydrophobicContact CG2-CD2 3.5Å; I274-Y428 VanDerWaalsContact CG2-CD2 3.5Å; I274-Y428 HydrophobicContact CG2-CE2 3.92Å; I274-Y428 HydrophobicContact CG2-CG 4.09Å; C424-Y428 WeakPolarHBondContact O-CB 3.47Å; C424-Y428 PolarHBondContact O-N 3.21Å; A425-Y428 PolarHBondContact O-N 2.95Å; N426-Y428 VanDerWaalsContact C-N 3.33Å; Y428-R430 VanDerWaalsContact C-N 3.26Å; Y428-R430 PolarHBondContact O-N 2.8Å; Y428-I431 PolarHBondContact O-N 3.37Å; Y428-I431 VanDerWaalsContact O-N 3.13Å; Y428-R432 HydrophobicContact CD1-CG 4.02Å; Y428-R432 HydrophobicContact CD2-CG 4.39Å; Y428-R432 HydrophobicContact CE1-CG 3.6Å; Y428-R432 HydrophobicContact CE2-CG 4.03Å; Y428-R432 HydrophobicContact CG-CG 4.4Å; Y428-R432 WeakPolarHBondContact O-CG 3.33Å; Y428-R432 PolarHBondContact O-N 2.77Å; Y428-R432 WeakPolarHBondContact OH-CD 3.49Å; Y428-R432 PolarHBondContact OH-NH1 2.94Å
429	H	75.2	Confident	79.7	Confident	112 Å²	112	76.4 Å²	76.4	52%	0.519	36%	0.36	S	S	.	.	H	α-helix	trans	-56.9	-40.5	175.3	-78	-62.9	0	0	0	112	A425 N426 H433	A425-H429 PolarHBondContact O-CD2 2.95Å; A425-H429 PolarHBondContact O-N 3.47Å; N426-H429 PolarHBondContact O-N 3.32Å; H429-H433 VanDerWaalsContact O-CB 3.26Å; H429-H433 WeakPolarHBondContact O-CB 3.05Å; H429-H433 PolarHBondContact O-N 2.98Å
430	R	79.9	Confident	80.1	Confident	198 Å²	198	79.3 Å²	79.3	75%	0.747	38%	0.376	S	S	*	.	H	α-helix	trans	-64.4	-43.4	175.6	-71.6	174.4	66.4	-164.2	-0.4	112.5	N426 M427 Y428 H433 S434	N426-R430 VanDerWaalsContact O-CG 3.3Å; N426-R430 WeakPolarHBondContact O-CG 3.45Å; N426-R430 PolarHBondContact O-N 2.91Å; N426-R430 VanDerWaalsContact O-N 3.07Å; M427-R430 PolarHBondContact O-N 3.46Å; Y428-R430 VanDerWaalsContact C-N 3.26Å; Y428-R430 PolarHBondContact O-N 2.8Å; R430-H433 PolarHBondContact O-N 3.31Å; R430-S434 WeakPolarHBondContact O-CB 3.34Å; R430-S434 PolarHBondContact O-N 2.81Å
431	I	81	Confident	80.3	Confident	101 Å²	101	78.2 Å²	78.2	52%	0.518	37%	0.373	S	S	.	.	H	α-helix	trans	-62.7	-49.1	176.6	-68.5	167.8	0	0	0	110.2	M427 Y428 H433 S434 E435	M427-I431 HydrophobicContact CG-CD1 4.21Å; M427-I431 WeakPolarHBondContact O-CG1 3.4Å; M427-I431 PolarHBondContact O-N 2.89Å; Y428-I431 PolarHBondContact O-N 3.37Å; Y428-I431 VanDerWaalsContact O-N 3.13Å; I431-H433 VanDerWaalsContact C-N 3.34Å; I431-H433 PolarHBondContact O-N 3.5Å; I431-S434 WeakPolarHBondContact O-CB 3.42Å; I431-S434 PolarHBondContact O-N 3.33Å; I431-E435 WeakPolarHBondContact O-CB 3.39Å; I431-E435 PolarHBondContact O-N 3.46Å
432	R	80.4	Confident	80.4	Confident	107 Å²	107	82 Å²	82	40%	0.404	39%	0.391	S	S	.	.	H	α-helix	trans	-58.5	-43.6	176.8	-69.4	-121	84.2	139.8	-0.2	112.5	Y428 E435 C436	Y428-R432 HydrophobicContact CD1-CG 4.02Å; Y428-R432 HydrophobicContact CD2-CG 4.39Å; Y428-R432 HydrophobicContact CE1-CG 3.6Å; Y428-R432 HydrophobicContact CE2-CG 4.03Å; Y428-R432 HydrophobicContact CG-CG 4.4Å; Y428-R432 WeakPolarHBondContact O-CG 3.33Å; Y428-R432 PolarHBondContact O-N 2.77Å; Y428-R432 WeakPolarHBondContact OH-CD 3.49Å; Y428-R432 PolarHBondContact OH-NH1 2.94Å; R432-E435 IonicContact CZ-OE2 3.98Å; R432-E435 IonicContact NE-OE2 3.27Å; R432-E435 PolarHBondContact NE-OE2 3.21Å; R432-E435 IonicContact NH2-OE1 3.97Å; R432-E435 IonicContact NH2-OE2 2.68Å; R432-E435 PolarHBondContact NH2-OE2 3.01Å; R432-E435 WeakPolarHBondContact O-CB 3.4Å; R432-E435 PolarHBondContact O-N 3.12Å; R432-C436 PolarHBondContact O-N 2.91Å; R432-C436 PolarHBondContact O-SG 3.41Å; R432-C436 VanDerWaalsContact O-SG 3.39Å
433	H	81.5	Confident	80.6	Confident	123 Å²	123	87.4 Å²	87.4	57%	0.569	42%	0.417	S	S	*	.	H	α-helix	trans	-63.2	-44.3	177.6	-178.6	-101.4	0	0	0	111.2	H429 R430 I431 E435 C436 I437	H429-H433 VanDerWaalsContact O-CB 3.26Å; H429-H433 WeakPolarHBondContact O-CB 3.05Å; H429-H433 PolarHBondContact O-N 2.98Å; R430-H433 PolarHBondContact O-N 3.31Å; I431-H433 VanDerWaalsContact C-N 3.34Å; I431-H433 PolarHBondContact O-N 3.5Å; H433-E435 PolarHBondContact O-N 3.41Å; H433-C436 PolarHBondContact O-N 3.45Å; H433-I437 WeakPolarHBondContact CE1-CD1 3.07Å; H433-I437 WeakPolarHBondContact O-CG1 3.38Å; H433-I437 PolarHBondContact O-N 2.9Å
434	S	82.9	Confident	80.8	Confident	76 Å²	76	91.3 Å²	91.3	53%	0.531	43%	0.433	S	S	.	.	H	α-helix	trans	-62	-41	174.3	-167.6	0	0	0	0	112.3	R430 I431 I437 Y438	R430-S434 WeakPolarHBondContact O-CB 3.34Å; R430-S434 PolarHBondContact O-N 2.81Å; I431-S434 WeakPolarHBondContact O-CB 3.42Å; I431-S434 PolarHBondContact O-N 3.33Å; S434-I437 PolarHBondContact O-N 3.4Å; S434-Y438 VanDerWaalsContact O-CB 3.25Å; S434-Y438 WeakPolarHBondContact O-CB 2.97Å; S434-Y438 PolarHBondContact O-N 3.21Å
435	E	85.5	Confident	81.1	Confident	80 Å²	80	95.3 Å²	95.3	37%	0.374	45%	0.453	S	S	.	.	H	α-helix	trans	-60.3	-45.4	175.1	-173.4	-158.3	163.5	0	0	111	I431 R432 H433 Y438 R439	I431-E435 WeakPolarHBondContact O-CB 3.39Å; I431-E435 PolarHBondContact O-N 3.46Å; R432-E435 IonicContact CZ-OE2 3.98Å; R432-E435 IonicContact NE-OE2 3.27Å; R432-E435 PolarHBondContact NE-OE2 3.21Å; R432-E435 IonicContact NH2-OE1 3.97Å; R432-E435 IonicContact NH2-OE2 2.68Å; R432-E435 PolarHBondContact NH2-OE2 3.01Å; R432-E435 WeakPolarHBondContact O-CB 3.4Å; R432-E435 PolarHBondContact O-N 3.12Å; H433-E435 PolarHBondContact O-N 3.41Å; E435-Y438 WeakPolarHBondContact O-CB 3.48Å; E435-Y438 PolarHBondContact O-N 2.99Å; E435-R439 WeakPolarHBondContact O-CB 3.3Å; E435-R439 PolarHBondContact O-N 3.33Å; E435-R439 IonicContact OE1-NH1 2.67Å
436	C	85.3	Confident	81.3	Confident	50 Å²	50	96.5 Å²	96.5	34%	0.338	46%	0.461	S	S	.	.	H	α-helix	trans	-63.5	-45.3	176.4	-74.2	0	0	0	0	112.3	R432 H433 Y438 R439 V440	R432-C436 PolarHBondContact O-N 2.91Å; R432-C436 PolarHBondContact O-SG 3.41Å; R432-C436 VanDerWaalsContact O-SG 3.39Å; H433-C436 PolarHBondContact O-N 3.45Å; C436-Y438 VanDerWaalsContact C-N 3.31Å; C436-Y438 PolarHBondContact O-N 3.36Å; C436-R439 PolarHBondContact O-N 3.41Å; C436-R439 PolarHBondContact SG-NH2 2.99Å; C436-V440 WeakPolarHBondContact O-CG2 3.45Å; C436-V440 PolarHBondContact O-N 2.92Å
437	I	87.3	Confident	81.5	Confident	89 Å²	89	101.9 Å²	101.9	46%	0.456	48%	0.477	S	S	.	.	H	α-helix	trans	-59.5	-46.1	174.8	-71	171.7	0	0	0	110.2	H433 S434 R439 V440 T441	H433-I437 WeakPolarHBondContact CE1-CD1 3.07Å; H433-I437 WeakPolarHBondContact O-CG1 3.38Å; H433-I437 PolarHBondContact O-N 2.9Å; S434-I437 PolarHBondContact O-N 3.4Å; I437-R439 PolarHBondContact O-N 3.28Å; I437-V440 PolarHBondContact O-N 3.27Å; I437-T441 WeakPolarHBondContact O-CB 3.39Å; I437-T441 PolarHBondContact O-N 3.39Å; I437-T441 PolarHBondContact O-OG1 2.87Å
438	Y	81.8	Confident	81.9	Confident	151 Å²	151	104 Å²	104	59%	0.592	49%	0.486	S	S	*	.	H	α-helix	trans	-58.6	-47.4	178.4	178.9	-96.2	0	0	0	111.2	S434 E435 C436 V440 T441 M442	S434-Y438 VanDerWaalsContact O-CB 3.25Å; S434-Y438 WeakPolarHBondContact O-CB 2.97Å; S434-Y438 PolarHBondContact O-N 3.21Å; E435-Y438 WeakPolarHBondContact O-CB 3.48Å; E435-Y438 PolarHBondContact O-N 2.99Å; C436-Y438 VanDerWaalsContact C-N 3.31Å; C436-Y438 PolarHBondContact O-N 3.36Å; Y438-V440 PolarHBondContact O-N 2.77Å; Y438-T441 PolarHBondContact O-N 3.3Å; Y438-M442 HydrophobicContact CD1-CG 3.96Å; Y438-M442 HydrophobicContact CD2-CG 4.45Å; Y438-M442 HydrophobicContact CE1-CG 3.58Å; Y438-M442 HydrophobicContact CE1-SD 3.78Å; Y438-M442 HydrophobicContact CE2-CG 4.12Å; Y438-M442 HydrophobicContact CE2-SD 4.23Å; Y438-M442 HydrophobicContact CG-CG 4.38Å; Y438-M442 WeakPolarHBondContact O-CB 3.4Å; Y438-M442 VanDerWaalsContact O-CG 3.23Å; Y438-M442 WeakPolarHBondContact O-CG 3.38Å; Y438-M442 PolarHBondContact O-N 3.04Å; Y438-M442 PolarHBondContact OH-SD 2.99Å
439	R	82.6	Confident	82.3	Confident	114 Å²	114	102.9 Å²	102.9	43%	0.43	49%	0.485	S	S	.	.	H	α-helix	trans	-59.3	-48.8	177.9	-176.2	171.6	61.2	-116.1	-4	112.4	E435 C436 I437 T441 M442 E443	E435-R439 WeakPolarHBondContact O-CB 3.3Å; E435-R439 PolarHBondContact O-N 3.33Å; E435-R439 IonicContact OE1-NH1 2.67Å; C436-R439 PolarHBondContact O-N 3.41Å; C436-R439 PolarHBondContact SG-NH2 2.99Å; I437-R439 PolarHBondContact O-N 3.28Å; R439-T441 VanDerWaalsContact C-N 3.28Å; R439-T441 PolarHBondContact O-N 2.93Å; R439-M442 PolarHBondContact O-N 3.1Å; R439-E443 WeakPolarHBondContact O-CG 3.39Å; R439-E443 PolarHBondContact O-N 3.24Å
440	V	87.9	Confident	83	Confident	69 Å²	69	99.4 Å²	99.4	42%	0.418	47%	0.47	S	S	.	.	H	α-helix	trans	-63.8	-36.2	177.5	173.2	0	0	0	0	111.4	C436 I437 Y438 K444	C436-V440 WeakPolarHBondContact O-CG2 3.45Å; C436-V440 PolarHBondContact O-N 2.92Å; I437-V440 PolarHBondContact O-N 3.27Å; Y438-V440 PolarHBondContact O-N 2.77Å; V440-K444 WeakPolarHBondContact O-CG 3.24Å; V440-K444 PolarHBondContact O-N 2.84Å; V440-K444 VanDerWaalsContact O-N 3.1Å
441	T	84	Confident	83.6	Confident	68 Å²	68	90.1 Å²	90.1	42%	0.417	44%	0.436	S	S	.	.	H	α-helix	trans	-67.3	-42.8	176.7	-55.5	0	0	0	0	111.1	I437 Y438 R439 K444 L445	I437-T441 WeakPolarHBondContact O-CB 3.39Å; I437-T441 PolarHBondContact O-N 3.39Å; I437-T441 PolarHBondContact O-OG1 2.87Å; Y438-T441 PolarHBondContact O-N 3.3Å; R439-T441 VanDerWaalsContact C-N 3.28Å; R439-T441 PolarHBondContact O-N 2.93Å; T441-K444 PolarHBondContact O-N 3.23Å; T441-L445 HydrophobicContact CG2-CD1 4.34Å; T441-L445 WeakPolarHBondContact O-CG 3.37Å; T441-L445 PolarHBondContact O-N 3.34Å
442	M	78.5	Confident	84.1	Confident	82 Å²	82	87.8 Å²	87.8	40%	0.404	43%	0.426	S	S	.	.	H	α-helix	trans	-62.4	-43.4	175.2	-70.8	-104.3	70.8	0	0	111.9	Y438 R439 K444 L445 S446	Y438-M442 HydrophobicContact CD1-CG 3.96Å; Y438-M442 HydrophobicContact CD2-CG 4.45Å; Y438-M442 HydrophobicContact CE1-CG 3.58Å; Y438-M442 HydrophobicContact CE1-SD 3.78Å; Y438-M442 HydrophobicContact CE2-CG 4.12Å; Y438-M442 HydrophobicContact CE2-SD 4.23Å; Y438-M442 HydrophobicContact CG-CG 4.38Å; Y438-M442 WeakPolarHBondContact O-CB 3.4Å; Y438-M442 VanDerWaalsContact O-CG 3.23Å; Y438-M442 WeakPolarHBondContact O-CG 3.38Å; Y438-M442 PolarHBondContact O-N 3.04Å; Y438-M442 PolarHBondContact OH-SD 2.99Å; R439-M442 PolarHBondContact O-N 3.1Å; M442-K444 VanDerWaalsContact C-N 3.31Å; M442-K444 PolarHBondContact O-N 2.87Å; M442-L445 HydrophobicContact CE-CD1 4.29Å; M442-L445 PolarHBondContact O-N 3.05Å; M442-S446 WeakPolarHBondContact O-CB 3.48Å; M442-S446 PolarHBondContact O-N 3.17Å; M442-S446 PolarHBondContact O-OG 3.35Å
443	E	81.6	Confident	84.6	Confident	115 Å²	115	85.9 Å²	85.9	54%	0.537	43%	0.429	S	S	.	.	H	α-helix	trans	-60.5	-37.8	174.9	-74.9	172.8	-171	0	0	112.5	R439 S446 Y447	R439-E443 WeakPolarHBondContact O-CG 3.39Å; R439-E443 PolarHBondContact O-N 3.24Å; E443-S446 PolarHBondContact O-OG 3.09Å; E443-Y447 PolarHBondContact O-N 2.78Å
444	K	82.5	Confident	85.1	Confident	146 Å²	146	87.2 Å²	87.2	64%	0.635	44%	0.435	S	S	*	.	H	α-helix	trans	-67.2	-41.5	174.7	-74.2	177.2	-179.6	-177.3	0	112.1	V440 T441 M442 H448	V440-K444 WeakPolarHBondContact O-CG 3.24Å; V440-K444 PolarHBondContact O-N 2.84Å; V440-K444 VanDerWaalsContact O-N 3.1Å; T441-K444 PolarHBondContact O-N 3.23Å; M442-K444 VanDerWaalsContact C-N 3.31Å; M442-K444 PolarHBondContact O-N 2.87Å; K444-H448 PolarHBondContact O-CD2 3.5Å
445	L	81.6	Confident	85.6	Confident	104 Å²	104	86.1 Å²	86.1	55%	0.545	42%	0.422	S	S	.	.	H	α-helix	trans	-68	-40.1	178.3	-70.4	171.8	0	0	0	111.4	T441 M442 Y447 H448 S449	T441-L445 HydrophobicContact CG2-CD1 4.34Å; T441-L445 WeakPolarHBondContact O-CG 3.37Å; T441-L445 PolarHBondContact O-N 3.34Å; M442-L445 HydrophobicContact CE-CD1 4.29Å; M442-L445 PolarHBondContact O-N 3.05Å; L445-Y447 VanDerWaalsContact C-N 3.29Å; L445-Y447 PolarHBondContact O-N 3.47Å; L445-H448 PolarHBondContact O-N 3.4Å; L445-H448 VanDerWaalsContact O-N 3.09Å; L445-S449 PolarHBondContact O-N 2.9Å
446	S	80.1	Confident	85.9	Confident	33 Å²	33	84.2 Å²	84.2	23%	0.231	41%	0.411	C	S	.	.	H	α-helix	trans	-63.4	-34.4	-179.6	71.4	0	0	0	0	112.5	M442 E443 H448 S449 I450	M442-S446 WeakPolarHBondContact O-CB 3.48Å; M442-S446 PolarHBondContact O-N 3.17Å; M442-S446 PolarHBondContact O-OG 3.35Å; E443-S446 PolarHBondContact O-OG 3.09Å; S446-H448 PolarHBondContact O-N 3.1Å; S446-S449 WeakPolarHBondContact CA-OG 3.35Å; S446-S449 PolarHBondContact O-N 3.21Å; S446-S449 VanDerWaalsContact O-N 3.13Å; S446-S449 PolarHBondContact O-OG 2.74Å; S446-I450 WeakPolarHBondContact O-CB 3.49Å; S446-I450 VanDerWaalsContact O-CG1 3.31Å; S446-I450 WeakPolarHBondContact O-CG1 3.31Å; S446-I450 PolarHBondContact O-N 3.5Å
447	Y	79.2	Confident	86.4	Confident	173 Å²	173	87.1 Å²	87.1	68%	0.678	42%	0.418	S	S	*	.	H	α-helix	trans	-55.5	-34.6	174.1	-174.2	-97.5	0	0	0	113.1	E443 L445	E443-Y447 PolarHBondContact O-N 2.78Å; L445-Y447 VanDerWaalsContact C-N 3.29Å; L445-Y447 PolarHBondContact O-N 3.47Å
448	H	84.4	Confident	86.7	Confident	144 Å²	144	87 Å²	87	67%	0.667	42%	0.422	S	S	*	.	H	α-helix	trans	-89	-21.2	179.7	-66.4	-67.6	0	0	0	113.7	K444 L445 S446	K444-H448 PolarHBondContact O-CD2 3.5Å; L445-H448 PolarHBondContact O-N 3.4Å; L445-H448 VanDerWaalsContact O-N 3.09Å; S446-H448 PolarHBondContact O-N 3.1Å
449	S	85.9	Confident	87.3	Confident	26 Å²	26	80.4 Å²	80.4	18%	0.182	40%	0.397	C	S	.	.	H	α-helix	trans	-92.1	-13.9	-179.5	67.7	0	0	0	0	113.8	L445 S446 N518	L445-S449 PolarHBondContact O-N 2.9Å; S446-S449 WeakPolarHBondContact CA-OG 3.35Å; S446-S449 PolarHBondContact O-N 3.21Å; S446-S449 VanDerWaalsContact O-N 3.13Å; S446-S449 PolarHBondContact O-OG 2.74Å; S449-N518 WeakPolarHBondContact CB-OD1 3.4Å; S449-N518 PolarHBondContact O-ND2 3.37Å
450	I	89.6	Confident	87.8	Confident	39 Å²	39	77 Å²	77	20%	0.2	39%	0.391	C	S	.	.	S	Bend	trans	-97.2	148.3	-176.3	-72.1	168.6	0	0	0	112.4	S446 T452 K517 E605 H607	S446-I450 WeakPolarHBondContact O-CB 3.49Å; S446-I450 VanDerWaalsContact O-CG1 3.31Å; S446-I450 WeakPolarHBondContact O-CG1 3.31Å; S446-I450 PolarHBondContact O-N 3.5Å; I450-T452 PolarHBondContact O-N 2.98Å; I450-K517 PolarHBondContact O-NZ 3.37Å; I450-E605 HydrophobicContact CD1-CB 4.35Å; I450-H607 WeakPolarHBondContact CG2-NE2 3.23Å
451	C	91.8	Very high	87.9	Confident	3 Å²	3	80.9 Å²	80.9	2%	0.02	40%	0.404	C	S	.	.	P	Polyproline II helix	trans	-65.4	125.4	170.7	-178.1	0	0	0	0	112.7	R510 M513 S514	C451-R510 HydrophobicContact CB-CB 4.19Å; C451-R510 HydrophobicContact CB-CG 4.4Å; C451-R510 VanDerWaalsContact CB-O 3.29Å; C451-R510 WeakPolarHBondContact CB-O 3.3Å; C451-R510 PolarHBondContact O-NH1 2.99Å; C451-M513 HydrophobicContact CB-CB 3.68Å; C451-M513 WeakPolarHBondContact SG-CB 3.43Å; C451-S514 WeakPolarHBondContact CB-OG 3.2Å; C451-S514 PolarHBondContact N-OG 3.2Å
452	T	91.6	Very high	88.3	Confident	51 Å²	51	80.9 Å²	80.9	31%	0.313	40%	0.401	S	S	.	.	P	Polyproline II helix	trans	-75.9	162.6	175.5	65.6	0	0	0	0	112.2	I450 E454 E455 W456	I450-T452 PolarHBondContact O-N 2.98Å; T452-E454 PolarHBondContact O-N 3.34Å; T452-E455 WeakPolarHBondContact CB-OE2 3.48Å; T452-E455 WeakPolarHBondContact CG2-OE2 3.49Å; T452-E455 PolarHBondContact N-OE2 3.1Å; T452-E455 PolarHBondContact O-N 2.93Å; T452-E455 WeakPolarHBondContact OG1-CB 3.45Å; T452-E455 VanDerWaalsContact OG1-CD 3.24Å; T452-E455 VanDerWaalsContact OG1-CG 3.22Å; T452-E455 WeakPolarHBondContact OG1-CG 3.38Å; T452-E455 PolarHBondContact OG1-N 2.97Å; T452-E455 PolarHBondContact OG1-OE2 2.77Å; T452-W456 PolarHBondContact O-N 3.1Å
453	S	90.9	Very high	88.7	Confident	67 Å²	67	83.5 Å²	83.5	47%	0.469	42%	0.417	S	S	.	.	H	α-helix	trans	-64.4	-22.3	175.9	-68.5	0	0	0	0	114.1	W456 K457 R510	S453-W456 PolarHBondContact O-NE1 3.13Å; S453-K457 VanDerWaalsContact O-CD 3.31Å; S453-K457 WeakPolarHBondContact O-CD 3.42Å; S453-K457 VanDerWaalsContact O-CG 3.23Å; S453-K457 WeakPolarHBondContact O-CG 3.48Å; S453-R510 PolarHBondContact OG-NH2 3.18Å
454	E	92.5	Very high	89.1	Confident	151 Å²	151	78.6 Å²	78.6	71%	0.706	39%	0.394	S	S	*	.	H	α-helix	trans	-81.3	-45.5	176.9	-174.8	172.2	-175.7	0	0	111	T452 W456 K457 T458	T452-E454 PolarHBondContact O-N 3.34Å; E454-W456 PolarHBondContact O-N 3.34Å; E454-K457 PolarHBondContact O-N 3.36Å; E454-T458 PolarHBondContact O-N 3.2Å; E454-T458 PolarHBondContact O-OG1 3.37Å; E454-T458 VanDerWaalsContact O-OG1 3.07Å
455	E	93	Very high	89.3	Confident	53 Å²	53	74.9 Å²	74.9	25%	0.248	39%	0.385	C	S	.	.	H	α-helix	trans	-58.5	-46.4	-179.5	-76.3	165.6	144.3	0	0	113.2	T452 K457 T458 L459 M513 K517	T452-E455 WeakPolarHBondContact CB-OE2 3.48Å; T452-E455 WeakPolarHBondContact CG2-OE2 3.49Å; T452-E455 PolarHBondContact N-OE2 3.1Å; T452-E455 PolarHBondContact O-N 2.93Å; T452-E455 WeakPolarHBondContact OG1-CB 3.45Å; T452-E455 VanDerWaalsContact OG1-CD 3.24Å; T452-E455 VanDerWaalsContact OG1-CG 3.22Å; T452-E455 WeakPolarHBondContact OG1-CG 3.38Å; T452-E455 PolarHBondContact OG1-N 2.97Å; T452-E455 PolarHBondContact OG1-OE2 2.77Å; E455-K457 VanDerWaalsContact C-N 3.32Å; E455-K457 PolarHBondContact O-N 3.36Å; E455-T458 PolarHBondContact O-N 3.39Å; E455-L459 WeakPolarHBondContact O-CB 3.4Å; E455-L459 PolarHBondContact O-N 3.44Å; E455-M513 HydrophobicContact CB-CE 4.04Å; E455-M513 HydrophobicContact CG-CE 4.15Å; E455-K517 WeakPolarHBondContact OE1-CE 3.48Å; E455-K517 IonicContact OE1-NZ 2.84Å; E455-K517 PolarHBondContact OE1-NZ 3.2Å; E455-K517 WeakPolarHBondContact OE2-CE 3.43Å; E455-K517 IonicContact OE2-NZ 3.41Å; E455-K517 PolarHBondContact OE2-NZ 3.18Å
456	W	92.5	Very high	89.5	Confident	40 Å²	40	78 Å²	78	15%	0.152	40%	0.397	C	S	.	.	H	α-helix	trans	-68	-34.8	180	87.5	-102	0	0	0	111.6	T452 S453 E454 L459 S460 E506 C509 R510	T452-W456 PolarHBondContact O-N 3.1Å; S453-W456 PolarHBondContact O-NE1 3.13Å; E454-W456 PolarHBondContact O-N 3.34Å; W456-L459 PolarHBondContact O-N 3.39Å; W456-S460 WeakPolarHBondContact O-CB 3.31Å; W456-S460 PolarHBondContact O-N 2.91Å; W456-S460 PolarHBondContact O-OG 3.11Å; W456-E506 HydrophobicContact CD2-CG 3.92Å; W456-E506 HydrophobicContact CE3-CB 4.22Å; W456-E506 HydrophobicContact CE3-CG 4.12Å; W456-E506 HydrophobicContact CG-CG 4.46Å; W456-E506 HydrophobicContact CH2-CB 4.25Å; W456-E506 HydrophobicContact CH2-CG 4.24Å; W456-E506 HydrophobicContact CZ2-CG 4.01Å; W456-E506 HydrophobicContact CZ3-CB 4.1Å; W456-E506 HydrophobicContact CZ3-CG 4.3Å; W456-C509 HydrophobicContact CB-CB 3.92Å; W456-R510 HydrophobicContact CB-CG 3.74Å; W456-R510 HydrophobicContact CG-CG 3.97Å
457	K	94.4	Very high	89.8	Confident	111 Å²	111	80.8 Å²	80.8	48%	0.483	41%	0.414	S	S	.	.	H	α-helix	trans	-64.4	-47	177.3	-75.5	177.4	-174.9	178.8	0	110.4	S453 E454 E455 L459 S460 Q461	S453-K457 VanDerWaalsContact O-CD 3.31Å; S453-K457 WeakPolarHBondContact O-CD 3.42Å; S453-K457 VanDerWaalsContact O-CG 3.23Å; S453-K457 WeakPolarHBondContact O-CG 3.48Å; E454-K457 PolarHBondContact O-N 3.36Å; E455-K457 VanDerWaalsContact C-N 3.32Å; E455-K457 PolarHBondContact O-N 3.36Å; K457-L459 VanDerWaalsContact C-N 3.32Å; K457-L459 PolarHBondContact O-N 3.38Å; K457-S460 PolarHBondContact O-N 3.04Å; K457-S460 PolarHBondContact O-OG 2.88Å; K457-Q461 WeakPolarHBondContact O-CG 3.26Å; K457-Q461 PolarHBondContact O-N 3.32Å
458	T	94.6	Very high	90.4	Very high	87 Å²	87	72.8 Å²	72.8	53%	0.534	38%	0.383	S	S	.	.	H	α-helix	trans	-57	-47.1	174.8	-57.9	0	0	0	0	110.9	E454 E455 S460 Q461 L462	E454-T458 PolarHBondContact O-N 3.2Å; E454-T458 PolarHBondContact O-OG1 3.37Å; E454-T458 VanDerWaalsContact O-OG1 3.07Å; E455-T458 PolarHBondContact O-N 3.39Å; T458-S460 PolarHBondContact O-N 3Å; T458-Q461 PolarHBondContact O-N 2.76Å; T458-L462 PolarHBondContact O-N 2.9Å
459	L	94.2	Very high	90.6	Very high	13 Å²	13	69.5 Å²	69.5	7%	0.068	37%	0.365	C	S	.	.	H	α-helix	trans	-64.3	-39.7	178.1	-178.3	55.3	0	0	0	112.8	E455 W456 K457 Q461 L462 P487 A488 I491 C509 M513	E455-L459 WeakPolarHBondContact O-CB 3.4Å; E455-L459 PolarHBondContact O-N 3.44Å; W456-L459 PolarHBondContact O-N 3.39Å; K457-L459 VanDerWaalsContact C-N 3.32Å; K457-L459 PolarHBondContact O-N 3.38Å; L459-Q461 PolarHBondContact O-N 3.05Å; L459-L462 HydrophobicContact CD1-CD2 4.21Å; L459-L462 WeakPolarHBondContact O-CB 3.34Å; L459-L462 PolarHBondContact O-N 2.99Å; L459-P487 HydrophobicContact CD1-CB 3.76Å; L459-P487 HydrophobicContact CD2-CB 3.73Å; L459-P487 HydrophobicContact CG-CB 4.43Å; L459-A488 HydrophobicContact CD1-CB 4Å; L459-I491 HydrophobicContact CD1-CD1 4.08Å; L459-I491 HydrophobicContact CD2-CD1 3.63Å; L459-I491 HydrophobicContact CG-CD1 3.68Å; L459-C509 HydrophobicContact CD2-CB 4.09Å; L459-C509 HydrophobicContact CG-CB 4.43Å; L459-M513 HydrophobicContact CD2-CG 3.62Å; L459-M513 HydrophobicContact CD2-SD 3.98Å
460	S	92.4	Very high	90.8	Very high	43 Å²	43	76.1 Å²	76.1	30%	0.301	39%	0.391	S	S	.	.	H	α-helix	trans	-65.9	-21.4	-179.9	72	0	0	0	0	114.1	W456 K457 T458	W456-S460 WeakPolarHBondContact O-CB 3.31Å; W456-S460 PolarHBondContact O-N 2.91Å; W456-S460 PolarHBondContact O-OG 3.11Å; K457-S460 PolarHBondContact O-N 3.04Å; K457-S460 PolarHBondContact O-OG 2.88Å; T458-S460 PolarHBondContact O-N 3Å
461	Q	91.6	Very high	91	Very high	149 Å²	149	78.6 Å²	78.6	70%	0.696	40%	0.401	S	S	*	.	H	α-helix	trans	-97.9	-9.4	179.5	-65.8	173.9	5.4	0	0	112.6	K457 T458 L459 N463	K457-Q461 WeakPolarHBondContact O-CG 3.26Å; K457-Q461 PolarHBondContact O-N 3.32Å; T458-Q461 PolarHBondContact O-N 2.76Å; L459-Q461 PolarHBondContact O-N 3.05Å; Q461-N463 PolarHBondContact O-N 3.36Å
462	L	90.7	Very high	91.1	Very high	69 Å²	69	78.4 Å²	78.4	36%	0.361	40%	0.4	S	S	.	.	P	Polyproline II helix	trans	-76.3	117.4	-177.5	-170.8	67.7	0	0	0	110.2	T458 L459 I485 A488	T458-L462 PolarHBondContact O-N 2.9Å; L459-L462 HydrophobicContact CD1-CD2 4.21Å; L459-L462 WeakPolarHBondContact O-CB 3.34Å; L459-L462 PolarHBondContact O-N 2.99Å; L462-I485 HydrophobicContact CD2-CB 4.37Å; L462-I485 HydrophobicContact CD2-CG2 4.07Å; L462-A488 HydrophobicContact CD2-CB 3.86Å; L462-A488 HydrophobicContact CG-CB 4.35Å
463	N	86.9	Confident	91.2	Very high	137 Å²	137	81 Å²	81	73%	0.733	41%	0.409	S	S	*	.	P	Polyproline II helix	trans	-98.6	137.3	174.4	-69.2	-54.3	0	0	0	110.4	Q461	Q461-N463 PolarHBondContact O-N 3.36Å
464	L	89.7	Confident	91.4	Very high	12 Å²	12	80.7 Å²	80.7	6%	0.063	40%	0.404	C	S	.	.	P	Polyproline II helix	trans	-72.7	139.9	173.4	-65.2	174	0	0	0	110.4	I468 Y469 I472 I485 A488 V489 Y492	L464-I468 HydrophobicContact CB-CG2 3.76Å; L464-I468 HydrophobicContact CG-CG2 4.5Å; L464-Y469 HydrophobicContact CB-CE1 3.98Å; L464-Y469 HydrophobicContact CB-CE2 4.17Å; L464-Y469 HydrophobicContact CD1-CE1 4Å; L464-Y469 WeakPolarHBondContact O-CE2 3.3Å; L464-Y469 PolarHBondContact O-OH 3.39Å; L464-I472 HydrophobicContact CD1-CD1 4.04Å; L464-I485 HydrophobicContact CD2-CB 4.13Å; L464-I485 HydrophobicContact CD2-CD1 3.84Å; L464-I485 HydrophobicContact CD2-CG1 4.24Å; L464-A488 HydrophobicContact CD2-CB 3.81Å; L464-A488 HydrophobicContact CG-CB 4.28Å; L464-V489 HydrophobicContact CD2-CG2 3.86Å; L464-Y492 HydrophobicContact CD1-CD1 4.43Å; L464-Y492 HydrophobicContact CD1-CG 3.97Å
465	P	87.8	Confident	91.5	Very high	68 Å²	68	74 Å²	74	44%	0.442	37%	0.373	S	S	.	.	P	Polyproline II helix	trans	-58.4	136.9	175.2	-24	33.1	0	0	0	112.5	P467 I468	P465-P467 VanDerWaalsContact C-N 3.33Å; P465-P467 VanDerWaalsContact O-N 3.12Å; P465-I468 WeakPolarHBondContact O-CG2 3.44Å; P465-I468 PolarHBondContact O-N 3.28Å
466	E	85.5	Confident	91.5	Very high	169 Å²	169	74 Å²	74	79%	0.79	37%	0.373	S	S	*	.	H	α-helix	trans	-49.8	-39.6	-176.2	-73.3	-171.2	169.1	0	0	116.1	I468 Y469	E466-I468 VanDerWaalsContact C-N 3.27Å; E466-I468 PolarHBondContact O-N 3.31Å; E466-Y469 WeakPolarHBondContact O-CD2 3.41Å
467	P	86.7	Confident	91.7	Very high	92 Å²	92	72.3 Å²	72.3	60%	0.597	37%	0.367	S	S	*	.	H	α-helix	trans	-63	-31.4	179.2	-23.5	34.8	0	0	0	113.7	P465 Y469	P465-P467 VanDerWaalsContact C-N 3.33Å; P465-P467 VanDerWaalsContact O-N 3.12Å; P467-Y469 VanDerWaalsContact C-N 3.34Å; P467-Y469 PolarHBondContact O-N 3.48Å
468	I	90.6	Very high	91.6	Very high	4 Å²	4	69.3 Å²	69.3	2%	0.021	36%	0.356	C	S	.	.	H	α-helix	trans	-71.8	-27.9	-169.8	-149.6	175.6	0	0	0	112.6	L464 P465 E466 K470 E471 I472 F477 F482 I485	L464-I468 HydrophobicContact CB-CG2 3.76Å; L464-I468 HydrophobicContact CG-CG2 4.5Å; P465-I468 WeakPolarHBondContact O-CG2 3.44Å; P465-I468 PolarHBondContact O-N 3.28Å; E466-I468 VanDerWaalsContact C-N 3.27Å; E466-I468 PolarHBondContact O-N 3.31Å; I468-K470 VanDerWaalsContact C-N 3.27Å; I468-K470 PolarHBondContact O-N 2.84Å; I468-E471 PolarHBondContact O-N 3.41Å; I468-I472 HydrophobicContact CG1-CD1 4.34Å; I468-I472 HydrophobicContact CG1-CG1 4.37Å; I468-I472 HydrophobicContact CG2-CD1 3.99Å; I468-I472 VanDerWaalsContact O-CG1 3.31Å; I468-I472 WeakPolarHBondContact O-CG1 3.35Å; I468-I472 PolarHBondContact O-N 3.29Å; I468-F477 HydrophobicContact CD1-CE2 4.35Å; I468-F477 HydrophobicContact CD1-CZ 3.95Å; I468-F477 HydrophobicContact CG1-CE2 3.9Å; I468-F477 HydrophobicContact CG1-CZ 3.86Å; I468-F482 HydrophobicContact CD1-CB 4.45Å; I468-F482 HydrophobicContact CD1-CD1 3.67Å; I468-F482 HydrophobicContact CD1-CD2 3.89Å; I468-F482 HydrophobicContact CD1-CE1 3.74Å; I468-F482 HydrophobicContact CD1-CE2 3.95Å; I468-F482 HydrophobicContact CD1-CG 3.74Å; I468-F482 HydrophobicContact CD1-CZ 3.87Å; I468-F482 HydrophobicContact CG1-CE1 4.43Å; I468-F482 HydrophobicContact CG1-CE2 4.32Å; I468-F482 HydrophobicContact CG1-CZ 4.19Å; I468-I485 HydrophobicContact CD1-CD1 3.68Å
469	Y	90.4	Very high	91.6	Very high	75 Å²	75	65.2 Å²	65.2	29%	0.294	33%	0.331	S	S	.	.	H	α-helix	trans	-56.9	-43.5	-178.5	-68.9	-73.7	0	0	0	111.6	L464 E466 P467 E471 Y492	L464-Y469 HydrophobicContact CB-CE1 3.98Å; L464-Y469 HydrophobicContact CB-CE2 4.17Å; L464-Y469 HydrophobicContact CD1-CE1 4Å; L464-Y469 WeakPolarHBondContact O-CE2 3.3Å; L464-Y469 PolarHBondContact O-OH 3.39Å; E466-Y469 WeakPolarHBondContact O-CD2 3.41Å; P467-Y469 VanDerWaalsContact C-N 3.34Å; P467-Y469 PolarHBondContact O-N 3.48Å; Y469-E471 VanDerWaalsContact C-N 3.34Å; Y469-Y492 AromaticContact CD1-CD2 3.74Å; Y469-Y492 HydrophobicContact CD1-CD2 3.74Å; Y469-Y492 HydrophobicContact CD1-CE1 4.23Å; Y469-Y492 AromaticContact CD1-CE2 3.38Å; Y469-Y492 HydrophobicContact CD1-CE2 3.38Å; Y469-Y492 HydrophobicContact CD1-CG 4.31Å; Y469-Y492 AromaticContact CD1-CZ 3.64Å; Y469-Y492 AromaticContact CE1-CD2 3.64Å; Y469-Y492 HydrophobicContact CE1-CD2 3.64Å; Y469-Y492 AromaticContact CE1-CE2 3.71Å; Y469-Y492 HydrophobicContact CE1-CE2 3.71Å; Y469-Y492 HydrophobicContact CE1-CG 4.29Å
470	K	90.2	Very high	91.5	Very high	166 Å²	166	66.5 Å²	66.5	72%	0.722	34%	0.341	S	S	*	.	H	α-helix	trans	-69.2	-34.1	177.6	-67.9	-176.3	-179.9	177.9	0	112.2	I468	I468-K470 VanDerWaalsContact C-N 3.27Å; I468-K470 PolarHBondContact O-N 2.84Å
471	E	92.5	Very high	91.4	Very high	90 Å²	90	69 Å²	69	42%	0.421	36%	0.356	S	S	.	.	H	α-helix	trans	-69	-41.3	179	-63.9	-175.6	-157.8	0	0	111.3	I468 Y469 E473 T474 F477	I468-E471 PolarHBondContact O-N 3.41Å; Y469-E471 VanDerWaalsContact C-N 3.34Å; E471-E473 PolarHBondContact O-N 2.96Å; E471-T474 WeakPolarHBondContact O-CB 3.35Å; E471-T474 PolarHBondContact O-N 3.08Å; E471-T474 PolarHBondContact O-OG1 3.14Å; E471-F477 HydrophobicContact CB-CD2 3.67Å; E471-F477 HydrophobicContact CB-CE2 3.91Å; E471-F477 WeakPolarHBondContact O-CB 3.36Å
472	I	94.8	Very high	91.4	Very high	0 Å²	0	64.6 Å²	64.6	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-58.2	-33.2	177.9	-66.5	162.5	0	0	0	111.8	L464 I468 T474 F477 V489 Y492 M493 H535 F538	L464-I472 HydrophobicContact CD1-CD1 4.04Å; I468-I472 HydrophobicContact CG1-CD1 4.34Å; I468-I472 HydrophobicContact CG1-CG1 4.37Å; I468-I472 HydrophobicContact CG2-CD1 3.99Å; I468-I472 VanDerWaalsContact O-CG1 3.31Å; I468-I472 WeakPolarHBondContact O-CG1 3.35Å; I468-I472 PolarHBondContact O-N 3.29Å; I472-T474 PolarHBondContact O-N 3.24Å; I472-F477 HydrophobicContact CB-CD1 4.5Å; I472-F477 HydrophobicContact CB-CE1 4.43Å; I472-F477 HydrophobicContact CG1-CD1 4.08Å; I472-F477 HydrophobicContact CG1-CE1 3.56Å; I472-F477 HydrophobicContact CG1-CE2 4.35Å; I472-F477 HydrophobicContact CG1-CZ 3.73Å; I472-V489 HydrophobicContact CD1-CG1 4.06Å; I472-V489 HydrophobicContact CD1-CG2 4.27Å; I472-V489 HydrophobicContact CG1-CG1 4.23Å; I472-Y492 HydrophobicContact CB-CE1 4.16Å; I472-Y492 HydrophobicContact CD1-CD1 3.88Å; I472-Y492 HydrophobicContact CD1-CE1 4.14Å; I472-Y492 HydrophobicContact CG2-CD1 3.95Å; I472-Y492 HydrophobicContact CG2-CE1 3.79Å; I472-M493 HydrophobicContact CG2-CG 4.1Å; I472-H535 PolarHBondContact O-CD2 2.88Å; I472-H535 PolarHBondContact O-NE2 2.93Å; I472-F538 HydrophobicContact CG2-CD1 4.22Å; I472-F538 HydrophobicContact CG2-CE1 3.78Å; I472-F538 HydrophobicContact CG2-CZ 4.48Å
473	E	92.5	Very high	91.4	Very high	105 Å²	105	67.1 Å²	67.1	49%	0.491	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-10.3	177.6	-66.3	177.8	-179.4	0	0	113.6	E471 Y492	E471-E473 PolarHBondContact O-N 2.96Å; E473-Y492 PolarHBondContact OE1-OH 2.96Å
474	T	94.8	Very high	91.5	Very high	61 Å²	61	68.9 Å²	68.9	37%	0.374	35%	0.348	S	S	.	.	S	Bend	trans	-90.4	144.6	178.3	75.5	0	0	0	0	112	E471 I472 Q476 F477 H535	E471-T474 WeakPolarHBondContact O-CB 3.35Å; E471-T474 PolarHBondContact O-N 3.08Å; E471-T474 PolarHBondContact O-OG1 3.14Å; I472-T474 PolarHBondContact O-N 3.24Å; T474-Q476 PolarHBondContact O-N 3.12Å; T474-F477 PolarHBondContact O-N 2.86Å; T474-F477 PolarHBondContact OG1-N 2.82Å; T474-H535 PolarHBondContact O-CE1 3.36Å; T474-H535 PolarHBondContact O-NE2 3.22Å
475	F	95.4	Very high	91.7	Very high	11 Å²	11	69.4 Å²	69.4	5%	0.048	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-30.5	175.1	-72.1	-57	0	0	0	112.8	F477 A539 I540 K543 K679 P746 P749 L750	F475-F477 VanDerWaalsContact C-N 3.3Å; F475-F477 PolarHBondContact O-N 3.38Å; F475-A539 HydrophobicContact CD1-CB 3.51Å; F475-A539 HydrophobicContact CE1-CB 3.6Å; F475-A539 HydrophobicContact CG-CB 4.5Å; F475-I540 HydrophobicContact CE1-CG1 3.91Å; F475-K543 HydrophobicContact CD2-CD 4.41Å; F475-K543 VanDerWaalsContact CD2-NZ 3.26Å; F475-K543 HydrophobicContact CE1-CD 4.43Å; F475-K543 HydrophobicContact CE2-CD 3.54Å; F475-K543 HydrophobicContact CZ-CD 3.57Å; F475-K679 PolarHBondContact O-NZ 3.5Å; F475-P746 WeakPolarHBondContact CE2-O 3.49Å; F475-P749 HydrophobicContact CD2-CB 4.02Å; F475-P749 HydrophobicContact CD2-CG 4.31Å; F475-P749 HydrophobicContact CE2-CB 4.42Å; F475-P749 HydrophobicContact CE2-CG 4.3Å; F475-L750 HydrophobicContact CB-CD2 3.77Å; F475-L750 HydrophobicContact CD1-CD1 4.07Å; F475-L750 HydrophobicContact CD1-CD2 3.72Å; F475-L750 HydrophobicContact CD1-CG 3.96Å; F475-L750 HydrophobicContact CD2-CD2 4.46Å; F475-L750 HydrophobicContact CD2-CG 4.33Å; F475-L750 HydrophobicContact CE1-CD1 3.92Å; F475-L750 HydrophobicContact CE1-CD2 4.4Å; F475-L750 HydrophobicContact CE1-CG 4.17Å; F475-L750 HydrophobicContact CG-CD2 3.76Å; F475-L750 HydrophobicContact CG-CG 4.05Å; F475-L750 HydrophobicContact CZ-CD1 4.34Å; F475-L750 HydrophobicContact CZ-CG 4.43Å
476	Q	93.9	Very high	92	Very high	51 Å²	51	66.9 Å²	66.9	24%	0.238	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	6.5	-174	-65.1	-59.4	-18.4	0	0	114.3	T474 D478 T678 K679 R680 A753	T474-Q476 PolarHBondContact O-N 3.12Å; Q476-D478 PolarHBondContact O-N 3.03Å; Q476-T678 PolarHBondContact NE2-O 3.35Å; Q476-T678 PolarHBondContact OE1-O 2.89Å; Q476-K679 VanDerWaalsContact OE1-C 3.27Å; Q476-R680 VanDerWaalsContact OE1-N 3.11Å; Q476-A753 VanDerWaalsContact NE2-CB 3.28Å
477	F	95	Very high	92.5	Very high	5 Å²	5	59 Å²	59	2%	0.022	30%	0.296	C	S	.	.			trans	-56.6	127.9	176.7	-174.5	-131.4	0	0	0	111	I468 E471 I472 T474 F475 I479 F482 V489 H535 K679	I468-F477 HydrophobicContact CD1-CE2 4.35Å; I468-F477 HydrophobicContact CD1-CZ 3.95Å; I468-F477 HydrophobicContact CG1-CE2 3.9Å; I468-F477 HydrophobicContact CG1-CZ 3.86Å; E471-F477 HydrophobicContact CB-CD2 3.67Å; E471-F477 HydrophobicContact CB-CE2 3.91Å; E471-F477 WeakPolarHBondContact O-CB 3.36Å; I472-F477 HydrophobicContact CB-CD1 4.5Å; I472-F477 HydrophobicContact CB-CE1 4.43Å; I472-F477 HydrophobicContact CG1-CD1 4.08Å; I472-F477 HydrophobicContact CG1-CE1 3.56Å; I472-F477 HydrophobicContact CG1-CE2 4.35Å; I472-F477 HydrophobicContact CG1-CZ 3.73Å; T474-F477 PolarHBondContact O-N 2.86Å; T474-F477 PolarHBondContact OG1-N 2.82Å; F475-F477 VanDerWaalsContact C-N 3.3Å; F475-F477 PolarHBondContact O-N 3.38Å; F477-I479 HydrophobicContact CD1-CG2 3.79Å; F477-I479 HydrophobicContact CE1-CG2 3.58Å; F477-I479 HydrophobicContact CZ-CG2 4.4Å; F477-F482 HydrophobicContact CE2-CD2 4.1Å; F477-F482 AromaticContact CE2-CE2 3.81Å; F477-F482 HydrophobicContact CE2-CE2 3.81Å; F477-F482 HydrophobicContact CZ-CD2 4.01Å; F477-F482 HydrophobicContact CZ-CE2 4.17Å; F477-V489 HydrophobicContact CE1-CG1 4.31Å; F477-H535 AromaticContact CD1-CD2 3.79Å; F477-H535 AromaticContact CD1-NE2 3.73Å; F477-K679 PolarHBondContact O-NZ 2.53Å
478	D	93.9	Very high	93	Very high	49 Å²	49	55 Å²	55	26%	0.262	27%	0.271	S	S	.	.			trans	-104.1	116.1	172.2	177.2	18.1	0	0	0	108.8	Q476 S480 P481 V683	Q476-D478 PolarHBondContact O-N 3.03Å; D478-S480 VanDerWaalsContact C-N 3.3Å; D478-S480 WeakPolarHBondContact OD1-CB 3.43Å; D478-S480 PolarHBondContact OD1-N 3.31Å; D478-S480 PolarHBondContact OD1-OG 3.31Å; D478-P481 WeakPolarHBondContact O-CD 3.42Å; D478-V683 HydrophobicContact CB-CG2 4.05Å; D478-V683 WeakPolarHBondContact OD2-CG2 3.44Å
479	I	93.1	Very high	93.3	Very high	1 Å²	1	54.8 Å²	54.8	1%	0.005	27%	0.27	C	S	.	.			trans	-78.4	-17.4	-179.5	69.2	166.8	0	0	0	112.2	F477 P481 F482 W486 K528 V531 T532	F477-I479 HydrophobicContact CD1-CG2 3.79Å; F477-I479 HydrophobicContact CE1-CG2 3.58Å; F477-I479 HydrophobicContact CZ-CG2 4.4Å; I479-P481 VanDerWaalsContact C-N 3.32Å; I479-P481 VanDerWaalsContact O-N 3.14Å; I479-F482 PolarHBondContact O-N 2.91Å; I479-W486 HydrophobicContact CD1-CD2 4.18Å; I479-W486 HydrophobicContact CD1-CG 4.45Å; I479-W486 HydrophobicContact CD1-CZ2 4.35Å; I479-W486 HydrophobicContact CG1-CZ2 4.39Å; I479-W486 PolarHBondContact O-NE1 3.41Å; I479-K528 HydrophobicContact CD1-CG 3.81Å; I479-K528 VanDerWaalsContact CD1-O 3.26Å; I479-K528 WeakPolarHBondContact CD1-O 3.45Å; I479-K528 HydrophobicContact CG1-CG 4.11Å; I479-V531 HydrophobicContact CD1-CB 3.92Å; I479-V531 HydrophobicContact CD1-CG1 3.95Å; I479-T532 WeakPolarHBondContact CD1-OG1 3.4Å
480	S	92	Very high	93.6	Very high	40 Å²	40	51.2 Å²	51.2	28%	0.28	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	-50.6	-41	-169.9	-50	0	0	0	0	114.4	D478 F482 K528	D478-S480 VanDerWaalsContact C-N 3.3Å; D478-S480 WeakPolarHBondContact OD1-CB 3.43Å; D478-S480 PolarHBondContact OD1-N 3.31Å; D478-S480 PolarHBondContact OD1-OG 3.31Å; S480-F482 PolarHBondContact O-N 3.07Å; S480-F482 VanDerWaalsContact O-N 3.16Å; S480-K528 WeakPolarHBondContact OG-CE 3.2Å; S480-K528 PolarHBondContact OG-NZ 3.48Å
481	P	91.6	Very high	93.9	Very high	94 Å²	94	44.2 Å²	44.2	61%	0.61	23%	0.226	S	C	*	.	G	3₁₀ helix	trans	-69.6	-7	179.2	-20.5	35.1	0	0	0	115.3	D478 I479	D478-P481 WeakPolarHBondContact O-CD 3.42Å; I479-P481 VanDerWaalsContact C-N 3.32Å; I479-P481 VanDerWaalsContact O-N 3.14Å
482	F	91.1	Very high	94	Very high	57 Å²	57	41.8 Å²	41.8	25%	0.25	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-121.3	32.5	-164.2	-57.8	-68.3	0	0	0	113.9	I468 F477 I479 S480 E484 I485 W486	I468-F482 HydrophobicContact CD1-CB 4.45Å; I468-F482 HydrophobicContact CD1-CD1 3.67Å; I468-F482 HydrophobicContact CD1-CD2 3.89Å; I468-F482 HydrophobicContact CD1-CE1 3.74Å; I468-F482 HydrophobicContact CD1-CE2 3.95Å; I468-F482 HydrophobicContact CD1-CG 3.74Å; I468-F482 HydrophobicContact CD1-CZ 3.87Å; I468-F482 HydrophobicContact CG1-CE1 4.43Å; I468-F482 HydrophobicContact CG1-CE2 4.32Å; I468-F482 HydrophobicContact CG1-CZ 4.19Å; F477-F482 HydrophobicContact CE2-CD2 4.1Å; F477-F482 AromaticContact CE2-CE2 3.81Å; F477-F482 HydrophobicContact CE2-CE2 3.81Å; F477-F482 HydrophobicContact CZ-CD2 4.01Å; F477-F482 HydrophobicContact CZ-CE2 4.17Å; I479-F482 PolarHBondContact O-N 2.91Å; S480-F482 PolarHBondContact O-N 3.07Å; S480-F482 VanDerWaalsContact O-N 3.16Å; F482-E484 VanDerWaalsContact C-N 3.29Å; F482-E484 PolarHBondContact O-N 2.88Å; F482-E484 VanDerWaalsContact O-N 3.16Å; F482-I485 HydrophobicContact CB-CD1 3.95Å; F482-I485 HydrophobicContact CB-CG1 3.72Å; F482-I485 HydrophobicContact CD1-CD1 3.97Å; F482-I485 HydrophobicContact CG-CD1 4.26Å; F482-I485 VanDerWaalsContact O-CG1 3.28Å; F482-I485 WeakPolarHBondContact O-CG1 3.39Å; F482-I485 PolarHBondContact O-N 3.13Å; F482-W486 PolarHBondContact O-N 3.01Å; F482-W486 PolarHBondContact O-NE1 2.84Å
483	E	90.6	Very high	94.1	Very high	123 Å²	123	41.8 Å²	41.8	58%	0.575	21%	0.213	S	C	*	.	G	3₁₀ helix	trans	-50.2	-43	-172.2	-174.3	174.9	177.1	0	0	114.7	I485 W486	E483-I485 PolarHBondContact O-N 3.4Å; E483-W486 VanDerWaalsContact CA-CE2 3.43Å; E483-W486 HydrophobicContact CB-CH2 4.11Å; E483-W486 HydrophobicContact CB-CZ2 3.9Å; E483-W486 HydrophobicContact CG-CE3 4.34Å; E483-W486 HydrophobicContact CG-CH2 3.79Å; E483-W486 HydrophobicContact CG-CZ2 4.1Å; E483-W486 HydrophobicContact CG-CZ3 3.95Å
484	E	89.2	Confident	94.3	Very high	173 Å²	173	37 Å²	37	81%	0.808	19%	0.191	S	C	*	.	G	3₁₀ helix	trans	-66.2	-24.4	-176.8	-61	-173.8	166.3	0	0	113.5	F482	F482-E484 VanDerWaalsContact C-N 3.29Å; F482-E484 PolarHBondContact O-N 2.88Å; F482-E484 VanDerWaalsContact O-N 3.16Å
485	I	93.3	Very high	94.3	Very high	23 Å²	23	35.8 Å²	35.8	12%	0.118	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-110.4	3	-172.1	68.4	174.7	0	0	0	113.6	L462 L464 I468 F482 E483 P487 A488 V489	L462-I485 HydrophobicContact CD2-CB 4.37Å; L462-I485 HydrophobicContact CD2-CG2 4.07Å; L464-I485 HydrophobicContact CD2-CB 4.13Å; L464-I485 HydrophobicContact CD2-CD1 3.84Å; L464-I485 HydrophobicContact CD2-CG1 4.24Å; I468-I485 HydrophobicContact CD1-CD1 3.68Å; F482-I485 HydrophobicContact CB-CD1 3.95Å; F482-I485 HydrophobicContact CB-CG1 3.72Å; F482-I485 HydrophobicContact CD1-CD1 3.97Å; F482-I485 HydrophobicContact CG-CD1 4.26Å; F482-I485 VanDerWaalsContact O-CG1 3.28Å; F482-I485 WeakPolarHBondContact O-CG1 3.39Å; F482-I485 PolarHBondContact O-N 3.13Å; E483-I485 PolarHBondContact O-N 3.4Å; I485-P487 VanDerWaalsContact C-CD 3.45Å; I485-P487 VanDerWaalsContact C-N 3.33Å; I485-A488 WeakPolarHBondContact O-CA 3.43Å; I485-A488 WeakPolarHBondContact O-CB 3.46Å; I485-A488 PolarHBondContact O-N 3.31Å; I485-V489 HydrophobicContact CG1-CG2 4.37Å; I485-V489 PolarHBondContact O-N 2.92Å
486	W	95.5	Very high	94.2	Very high	15 Å²	15	37.6 Å²	37.6	6%	0.057	20%	0.195	C	C	.	.	H	α-helix	trans	-51.5	-41.9	178	-67.1	-12.9	0	0	0	114.4	I479 F482 E483 A488 V489 F490 W527 K528 V531	I479-W486 HydrophobicContact CD1-CD2 4.18Å; I479-W486 HydrophobicContact CD1-CG 4.45Å; I479-W486 HydrophobicContact CD1-CZ2 4.35Å; I479-W486 HydrophobicContact CG1-CZ2 4.39Å; I479-W486 PolarHBondContact O-NE1 3.41Å; F482-W486 PolarHBondContact O-N 3.01Å; F482-W486 PolarHBondContact O-NE1 2.84Å; E483-W486 VanDerWaalsContact CA-CE2 3.43Å; E483-W486 HydrophobicContact CB-CH2 4.11Å; E483-W486 HydrophobicContact CB-CZ2 3.9Å; E483-W486 HydrophobicContact CG-CE3 4.34Å; E483-W486 HydrophobicContact CG-CH2 3.79Å; E483-W486 HydrophobicContact CG-CZ2 4.1Å; E483-W486 HydrophobicContact CG-CZ3 3.95Å; W486-A488 VanDerWaalsContact C-N 3.29Å; W486-A488 PolarHBondContact O-N 3.43Å; W486-V489 WeakPolarHBondContact O-CB 3.3Å; W486-V489 PolarHBondContact O-N 2.94Å; W486-F490 PolarHBondContact O-N 3.46Å; W486-W527 AromaticContact CE3-CD1 3.44Å; W486-W527 VanDerWaalsContact CE3-CD1 3.44Å; W486-W527 HydrophobicContact CE3-CG 4.34Å; W486-W527 AromaticContact CE3-NE1 3.71Å; W486-W527 AromaticContact CZ3-CD1 3.97Å; W486-K528 HydrophobicContact CE3-CB 4.43Å; W486-K528 HydrophobicContact CH2-CB 3.5Å; W486-K528 VanDerWaalsContact CH2-CB 3.5Å; W486-K528 HydrophobicContact CH2-CD 4.07Å; W486-K528 HydrophobicContact CH2-CG 3.59Å; W486-K528 HydrophobicContact CZ2-CB 4.22Å; W486-K528 HydrophobicContact CZ2-CD 4.33Å; W486-K528 HydrophobicContact CZ2-CG 3.82Å; W486-K528 HydrophobicContact CZ3-CB 3.6Å; W486-K528 HydrophobicContact CZ3-CG 4.14Å; W486-V531 HydrophobicContact CB-CG1 4.26Å; W486-V531 HydrophobicContact CB-CG2 4.25Å
487	P	96.5	Very high	94.2	Very high	3 Å²	3	35.7 Å²	35.7	2%	0.019	19%	0.187	C	C	.	.	H	α-helix	trans	-61.4	-37	175.2	-24	36.2	0	0	0	112.9	L459 I485 F490 I491 T512 M513 W527	L459-P487 HydrophobicContact CD1-CB 3.76Å; L459-P487 HydrophobicContact CD2-CB 3.73Å; L459-P487 HydrophobicContact CG-CB 4.43Å; I485-P487 VanDerWaalsContact C-CD 3.45Å; I485-P487 VanDerWaalsContact C-N 3.33Å; P487-F490 PolarHBondContact O-N 3.07Å; P487-I491 WeakPolarHBondContact O-CG1 3.46Å; P487-I491 PolarHBondContact O-N 3.45Å; P487-T512 HydrophobicContact CB-CG2 3.91Å; P487-M513 HydrophobicContact CB-SD 4.08Å; P487-M513 HydrophobicContact CG-SD 3.94Å; P487-W527 HydrophobicContact CG-CZ2 4.27Å
488	A	95.9	Very high	94.1	Very high	8 Å²	8	35.9 Å²	35.9	7%	0.066	19%	0.189	C	C	.	.	H	α-helix	trans	-71.6	-34.8	176.6	0	0	0	0	0	112.1	L459 L462 L464 I485 W486 F490 I491 Y492	L459-A488 HydrophobicContact CD1-CB 4Å; L462-A488 HydrophobicContact CD2-CB 3.86Å; L462-A488 HydrophobicContact CG-CB 4.35Å; L464-A488 HydrophobicContact CD2-CB 3.81Å; L464-A488 HydrophobicContact CG-CB 4.28Å; I485-A488 WeakPolarHBondContact O-CA 3.43Å; I485-A488 WeakPolarHBondContact O-CB 3.46Å; I485-A488 PolarHBondContact O-N 3.31Å; W486-A488 VanDerWaalsContact C-N 3.29Å; W486-A488 PolarHBondContact O-N 3.43Å; A488-F490 VanDerWaalsContact C-N 3.33Å; A488-F490 PolarHBondContact O-N 2.93Å; A488-I491 PolarHBondContact O-N 2.94Å; A488-Y492 WeakPolarHBondContact O-CB 3.38Å; A488-Y492 PolarHBondContact O-N 3.31Å
489	V	96.6	Very high	94	Very high	1 Å²	1	35 Å²	35	1%	0.006	19%	0.192	C	C	.	.	H	α-helix	trans	-58.7	-46.3	171.1	175.4	0	0	0	0	109.9	L464 I472 F477 I485 W486 Y492 M493	L464-V489 HydrophobicContact CD2-CG2 3.86Å; I472-V489 HydrophobicContact CD1-CG1 4.06Å; I472-V489 HydrophobicContact CD1-CG2 4.27Å; I472-V489 HydrophobicContact CG1-CG1 4.23Å; F477-V489 HydrophobicContact CE1-CG1 4.31Å; I485-V489 HydrophobicContact CG1-CG2 4.37Å; I485-V489 PolarHBondContact O-N 2.92Å; W486-V489 WeakPolarHBondContact O-CB 3.3Å; W486-V489 PolarHBondContact O-N 2.94Å; V489-Y492 WeakPolarHBondContact O-CB 3.38Å; V489-Y492 PolarHBondContact O-N 2.96Å; V489-M493 HydrophobicContact CG1-CE 4.23Å; V489-M493 HydrophobicContact CG1-SD 4.34Å; V489-M493 VanDerWaalsContact O-CG 3.3Å; V489-M493 WeakPolarHBondContact O-CG 3.24Å; V489-M493 PolarHBondContact O-N 3.39Å
490	F	97.1	Very high	93.8	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-61.1	-45.8	176.2	-178.8	-100.3	0	0	0	113.1	W486 P487 A488 Y492 M493 V494 L508 T512 A534 L561	W486-F490 PolarHBondContact O-N 3.46Å; P487-F490 PolarHBondContact O-N 3.07Å; A488-F490 VanDerWaalsContact C-N 3.33Å; A488-F490 PolarHBondContact O-N 2.93Å; F490-Y492 VanDerWaalsContact C-N 3.28Å; F490-Y492 PolarHBondContact O-N 3.35Å; F490-M493 HydrophobicContact CB-CE 4.19Å; F490-M493 HydrophobicContact CD2-CE 3.93Å; F490-M493 WeakPolarHBondContact O-CB 3.38Å; F490-M493 PolarHBondContact O-N 3.1Å; F490-M493 VanDerWaalsContact O-N 3.13Å; F490-V494 HydrophobicContact CD1-CG2 4.11Å; F490-V494 HydrophobicContact CE1-CG2 3.57Å; F490-V494 HydrophobicContact CE2-CG2 4Å; F490-V494 HydrophobicContact CZ-CG2 3.5Å; F490-V494 WeakPolarHBondContact O-CG2 3.23Å; F490-V494 PolarHBondContact O-N 2.79Å; F490-L508 HydrophobicContact CE1-CD1 4.34Å; F490-T512 HydrophobicContact CB-CG2 4.3Å; F490-T512 HydrophobicContact CD1-CG2 3.8Å; F490-T512 HydrophobicContact CG-CG2 4.38Å; F490-A534 HydrophobicContact CD2-CB 4.05Å; F490-A534 HydrophobicContact CE2-CB 4.08Å; F490-L561 HydrophobicContact CD1-CD2 3.79Å; F490-L561 HydrophobicContact CD2-CB 4.42Å; F490-L561 HydrophobicContact CD2-CD1 3.62Å; F490-L561 HydrophobicContact CD2-CD2 4.04Å; F490-L561 HydrophobicContact CD2-CG 4.22Å; F490-L561 HydrophobicContact CE1-CD2 3.55Å; F490-L561 HydrophobicContact CE2-CB 3.79Å; F490-L561 HydrophobicContact CE2-CD1 3.88Å; F490-L561 HydrophobicContact CE2-CD2 3.82Å; F490-L561 HydrophobicContact CE2-CG 4.02Å; F490-L561 HydrophobicContact CG-CD1 4.04Å; F490-L561 HydrophobicContact CG-CD2 4.03Å; F490-L561 HydrophobicContact CZ-CB 4.03Å; F490-L561 HydrophobicContact CZ-CD1 4.5Å; F490-L561 HydrophobicContact CZ-CD2 3.57Å; F490-L561 HydrophobicContact CZ-CG 4.21Å
491	I	96.1	Very high	93.6	Very high	18 Å²	18	46.5 Å²	46.5	9%	0.092	25%	0.251	C	S	.	.	H	α-helix	trans	-58.3	-43.2	176.3	-69.3	167	0	0	0	111	L459 P487 A488 V494 H495 L505 L508 C509	L459-I491 HydrophobicContact CD1-CD1 4.08Å; L459-I491 HydrophobicContact CD2-CD1 3.63Å; L459-I491 HydrophobicContact CG-CD1 3.68Å; P487-I491 WeakPolarHBondContact O-CG1 3.46Å; P487-I491 PolarHBondContact O-N 3.45Å; A488-I491 PolarHBondContact O-N 2.94Å; I491-V494 PolarHBondContact O-N 2.69Å; I491-H495 WeakPolarHBondContact O-CB 3.2Å; I491-H495 PolarHBondContact O-CD2 3.06Å; I491-H495 VanDerWaalsContact O-CD2 3.26Å; I491-H495 PolarHBondContact O-N 3.39Å; I491-L505 HydrophobicContact CG2-CD1 4.35Å; I491-L508 HydrophobicContact CG1-CD2 4.27Å; I491-L508 HydrophobicContact CG1-CG 4.25Å; I491-L508 HydrophobicContact CG2-CD2 4.17Å; I491-C509 VanDerWaalsContact CD1-SG 3.54Å
492	Y	95.6	Very high	93.5	Very high	40 Å²	40	43.2 Å²	43.2	16%	0.157	23%	0.23	C	C	.	.	H	α-helix	trans	-60.8	-45.3	175.4	168.9	-100.7	0	0	0	111.9	L464 Y469 I472 E473 A488 V489 F490 V494 H495 S496 F538	L464-Y492 HydrophobicContact CD1-CD1 4.43Å; L464-Y492 HydrophobicContact CD1-CG 3.97Å; Y469-Y492 AromaticContact CD1-CD2 3.74Å; Y469-Y492 HydrophobicContact CD1-CD2 3.74Å; Y469-Y492 HydrophobicContact CD1-CE1 4.23Å; Y469-Y492 AromaticContact CD1-CE2 3.38Å; Y469-Y492 HydrophobicContact CD1-CE2 3.38Å; Y469-Y492 HydrophobicContact CD1-CG 4.31Å; Y469-Y492 AromaticContact CD1-CZ 3.64Å; Y469-Y492 AromaticContact CE1-CD2 3.64Å; Y469-Y492 HydrophobicContact CE1-CD2 3.64Å; Y469-Y492 AromaticContact CE1-CE2 3.71Å; Y469-Y492 HydrophobicContact CE1-CE2 3.71Å; Y469-Y492 HydrophobicContact CE1-CG 4.29Å; I472-Y492 HydrophobicContact CB-CE1 4.16Å; I472-Y492 HydrophobicContact CD1-CD1 3.88Å; I472-Y492 HydrophobicContact CD1-CE1 4.14Å; I472-Y492 HydrophobicContact CG2-CD1 3.95Å; I472-Y492 HydrophobicContact CG2-CE1 3.79Å; E473-Y492 PolarHBondContact OE1-OH 2.96Å; A488-Y492 WeakPolarHBondContact O-CB 3.38Å; A488-Y492 PolarHBondContact O-N 3.31Å; V489-Y492 WeakPolarHBondContact O-CB 3.38Å; V489-Y492 PolarHBondContact O-N 2.96Å; F490-Y492 VanDerWaalsContact C-N 3.28Å; F490-Y492 PolarHBondContact O-N 3.35Å; Y492-V494 VanDerWaalsContact C-N 3.33Å; Y492-V494 PolarHBondContact O-N 2.62Å; Y492-H495 PolarHBondContact O-N 2.97Å; Y492-S496 WeakPolarHBondContact CE2-OG 3.05Å; Y492-S496 VanDerWaalsContact O-CB 3.28Å; Y492-S496 WeakPolarHBondContact O-CB 3.27Å; Y492-S496 PolarHBondContact O-N 3.3Å; Y492-S496 PolarHBondContact O-OG 3.16Å; Y492-S496 VanDerWaalsContact O-OG 3.06Å; Y492-F538 HydrophobicContact CE1-CZ 4.34Å
493	M	96.6	Very high	93.5	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-59.2	-43.9	177.6	-69.1	-173.6	-59.8	0	0	111.9	I472 V489 F490 S497 A534 H535 F538	I472-M493 HydrophobicContact CG2-CG 4.1Å; V489-M493 HydrophobicContact CG1-CE 4.23Å; V489-M493 HydrophobicContact CG1-SD 4.34Å; V489-M493 VanDerWaalsContact O-CG 3.3Å; V489-M493 WeakPolarHBondContact O-CG 3.24Å; V489-M493 PolarHBondContact O-N 3.39Å; F490-M493 HydrophobicContact CB-CE 4.19Å; F490-M493 HydrophobicContact CD2-CE 3.93Å; F490-M493 WeakPolarHBondContact O-CB 3.38Å; F490-M493 PolarHBondContact O-N 3.1Å; F490-M493 VanDerWaalsContact O-N 3.13Å; M493-S497 WeakPolarHBondContact O-CB 3.46Å; M493-S497 PolarHBondContact O-N 3.1Å; M493-S497 PolarHBondContact O-OG 2.77Å; M493-A534 HydrophobicContact CE-CB 4.17Å; M493-H535 HydrophobicContact CE-CB 4.3Å; M493-H535 WeakPolarHBondContact SD-CA 3.48Å; M493-H535 HydrophobicContact SD-CB 3.76Å; M493-F538 HydrophobicContact CB-CB 4.05Å; M493-F538 HydrophobicContact CB-CD1 4.48Å; M493-F538 HydrophobicContact CB-CD2 3.54Å; M493-F538 HydrophobicContact CB-CE2 4.11Å; M493-F538 HydrophobicContact CB-CG 3.76Å; M493-F538 HydrophobicContact CG-CB 4.01Å; M493-F538 HydrophobicContact CG-CD1 3.85Å; M493-F538 HydrophobicContact CG-CD2 3.81Å; M493-F538 HydrophobicContact CG-CE1 4.29Å; M493-F538 HydrophobicContact CG-CE2 4.26Å; M493-F538 HydrophobicContact CG-CG 3.59Å; M493-F538 HydrophobicContact CG-CZ 4.47Å; M493-F538 WeakPolarHBondContact O-CD2 3.32Å; M493-F538 WeakPolarHBondContact O-CE2 3.49Å; M493-F538 HydrophobicContact SD-CB 3.73Å; M493-F538 HydrophobicContact SD-CD1 4.05Å; M493-F538 HydrophobicContact SD-CG 3.88Å
494	V	96.2	Very high	93.7	Very high	3 Å²	3	39 Å²	39	2%	0.018	21%	0.211	C	C	.	.	H	α-helix	trans	-63.5	-48.1	176.2	172.7	0	0	0	0	111.3	F490 I491 Y492 S496 S497 C498 F503 L508 L557	F490-V494 HydrophobicContact CD1-CG2 4.11Å; F490-V494 HydrophobicContact CE1-CG2 3.57Å; F490-V494 HydrophobicContact CE2-CG2 4Å; F490-V494 HydrophobicContact CZ-CG2 3.5Å; F490-V494 WeakPolarHBondContact O-CG2 3.23Å; F490-V494 PolarHBondContact O-N 2.79Å; I491-V494 PolarHBondContact O-N 2.69Å; Y492-V494 VanDerWaalsContact C-N 3.33Å; Y492-V494 PolarHBondContact O-N 2.62Å; V494-S496 VanDerWaalsContact C-N 3.32Å; V494-S496 PolarHBondContact O-N 3.08Å; V494-S497 PolarHBondContact O-N 2.85Å; V494-C498 WeakPolarHBondContact O-CB 3.42Å; V494-C498 PolarHBondContact O-N 3.21Å; V494-F503 HydrophobicContact CG1-CD2 3.37Å; V494-F503 HydrophobicContact CG1-CE2 3.32Å; V494-F503 HydrophobicContact CG1-CG 4.42Å; V494-F503 HydrophobicContact CG1-CZ 4.33Å; V494-L508 HydrophobicContact CB-CD2 4.3Å; V494-L508 HydrophobicContact CG1-CD1 4.36Å; V494-L508 HydrophobicContact CG1-CD2 3.94Å; V494-L557 HydrophobicContact CG2-CD1 4.31Å
495	H	94.8	Very high	93.8	Very high	36 Å²	36	34.4 Å²	34.4	17%	0.167	19%	0.191	C	C	.	.	H	α-helix	trans	-64.8	-36.1	-179.1	-79.9	-148.3	0	0	0	112.5	I491 Y492 G499 K500	I491-H495 WeakPolarHBondContact O-CB 3.2Å; I491-H495 PolarHBondContact O-CD2 3.06Å; I491-H495 VanDerWaalsContact O-CD2 3.26Å; I491-H495 PolarHBondContact O-N 3.39Å; Y492-H495 PolarHBondContact O-N 2.97Å; H495-G499 CarbonylContact O-C 3.38Å; H495-G499 WeakPolarHBondContact O-CA 3.44Å; H495-G499 PolarHBondContact O-N 3.21Å; H495-K500 HydrophobicContact CB-CG 4.22Å
496	S	93.8	Very high	93.9	Very high	50 Å²	50	36.5 Å²	36.5	35%	0.35	20%	0.201	S	C	.	.	H	α-helix	trans	-74.8	-32.2	178.5	-67.4	0	0	0	0	112.4	Y492 V494 Q542	Y492-S496 WeakPolarHBondContact CE2-OG 3.05Å; Y492-S496 VanDerWaalsContact O-CB 3.28Å; Y492-S496 WeakPolarHBondContact O-CB 3.27Å; Y492-S496 PolarHBondContact O-N 3.3Å; Y492-S496 PolarHBondContact O-OG 3.16Å; Y492-S496 VanDerWaalsContact O-OG 3.06Å; V494-S496 VanDerWaalsContact C-N 3.32Å; V494-S496 PolarHBondContact O-N 3.08Å; S496-Q542 PolarHBondContact O-NE2 3.22Å
497	S	94	Very high	93.8	Very high	10 Å²	10	38.2 Å²	38.2	7%	0.07	21%	0.209	C	C	.	.	H	α-helix	trans	-87.2	-36.8	-179.9	-69.6	0	0	0	0	114.3	M493 V494 F538 Q542	M493-S497 WeakPolarHBondContact O-CB 3.46Å; M493-S497 PolarHBondContact O-N 3.1Å; M493-S497 PolarHBondContact O-OG 2.77Å; V494-S497 PolarHBondContact O-N 2.85Å; S497-F538 WeakPolarHBondContact OG-CD2 3.38Å; S497-Q542 PolarHBondContact OG-NE2 3.26Å; S497-Q542 VanDerWaalsContact OG-NE2 3.13Å
498	C	93.3	Very high	93.7	Very high	10 Å²	10	38.1 Å²	38.1	7%	0.068	21%	0.208	C	C	.	.	H	α-helix	trans	-111.8	-8.5	-173.5	-57.5	0	0	0	0	113.3	V494 S502 F503 K554	V494-C498 WeakPolarHBondContact O-CB 3.42Å; V494-C498 PolarHBondContact O-N 3.21Å; C498-S502 VanDerWaalsContact O-CB 3.27Å; C498-S502 WeakPolarHBondContact O-CB 3Å; C498-S502 PolarHBondContact O-OG 2.93Å; C498-F503 HydrophobicContact CB-CE2 4.25Å; C498-K554 HydrophobicContact CB-CG 4.27Å
499	G	91.5	Very high	93.7	Very high	30 Å²	30	37.8 Å²	37.8	31%	0.309	21%	0.205	S	C	.	.			trans	85	150.7	-173.3	0	0	0	0	0	113.7	H495 S501 S502	H495-G499 CarbonylContact O-C 3.38Å; H495-G499 WeakPolarHBondContact O-CA 3.44Å; H495-G499 PolarHBondContact O-N 3.21Å; G499-S501 PolarHBondContact O-N 3.47Å; G499-S502 WeakPolarHBondContact O-CB 3.11Å; G499-S502 PolarHBondContact O-N 2.87Å; G499-S502 VanDerWaalsContact O-N 3.15Å
500	K	89.3	Confident	93.7	Very high	170 Å²	170	39.6 Å²	39.6	74%	0.739	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-23.2	-174.6	-62.2	-172.7	177.5	-178	0	114.7	H495	H495-K500 HydrophobicContact CB-CG 4.22Å
501	S	88	Confident	93.6	Very high	113 Å²	113	39.6 Å²	39.6	79%	0.79	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.2	-1.5	179.8	55.4	0	0	0	0	113.5	G499 F503	G499-S501 PolarHBondContact O-N 3.47Å; S501-F503 VanDerWaalsContact C-N 3.26Å; S501-F503 PolarHBondContact O-N 3.31Å
502	S	88	Confident	93.7	Very high	24 Å²	24	38.7 Å²	38.7	17%	0.168	21%	0.207	C	C	.	.	S	Bend	trans	-71	-22	-177.6	-95.1	0	0	0	0	114	C498 G499 K554	C498-S502 VanDerWaalsContact O-CB 3.27Å; C498-S502 WeakPolarHBondContact O-CB 3Å; C498-S502 PolarHBondContact O-OG 2.93Å; G499-S502 WeakPolarHBondContact O-CB 3.11Å; G499-S502 PolarHBondContact O-N 2.87Å; G499-S502 VanDerWaalsContact O-N 3.15Å; S502-K554 PolarHBondContact O-NZ 3.43Å; S502-K554 VanDerWaalsContact OG-CE 3.24Å; S502-K554 WeakPolarHBondContact OG-CE 3.44Å; S502-K554 PolarHBondContact OG-NZ 3.41Å
503	F	92.6	Very high	93.7	Very high	10 Å²	10	37.5 Å²	37.5	4%	0.044	20%	0.203	C	C	.	.	S	Bend	trans	-137.5	149.1	-179.5	-63.6	-80.4	0	0	0	109.9	V494 C498 S501 L505 L508 K554 I609 F610	V494-F503 HydrophobicContact CG1-CD2 3.37Å; V494-F503 HydrophobicContact CG1-CE2 3.32Å; V494-F503 HydrophobicContact CG1-CG 4.42Å; V494-F503 HydrophobicContact CG1-CZ 4.33Å; C498-F503 HydrophobicContact CB-CE2 4.25Å; S501-F503 VanDerWaalsContact C-N 3.26Å; S501-F503 PolarHBondContact O-N 3.31Å; F503-L505 PolarHBondContact O-N 2.94Å; F503-L508 HydrophobicContact CB-CB 4.24Å; F503-L508 HydrophobicContact CB-CD2 4.26Å; F503-K554 HydrophobicContact CE2-CD 4.29Å; F503-K554 HydrophobicContact CE2-CG 3.89Å; F503-K554 HydrophobicContact CZ-CB 3.95Å; F503-K554 HydrophobicContact CZ-CD 3.9Å; F503-K554 HydrophobicContact CZ-CG 3.6Å; F503-I609 HydrophobicContact CD1-CB 3.8Å; F503-I609 HydrophobicContact CD1-CD1 4.37Å; F503-I609 HydrophobicContact CD1-CG1 4.3Å; F503-I609 WeakPolarHBondContact CD1-O 3.36Å; F503-I609 HydrophobicContact CE1-CB 4.07Å; F503-I609 HydrophobicContact CE1-CD1 3.89Å; F503-I609 HydrophobicContact CE1-CG1 4.05Å; F503-F610 AromaticContact CE1-CD1 3.86Å; F503-F610 HydrophobicContact CE1-CD1 3.86Å; F503-F610 AromaticContact CE1-CE1 3.64Å; F503-F610 HydrophobicContact CE1-CE1 3.64Å; F503-F610 HydrophobicContact CZ-CE1 4.03Å
504	E	93.1	Very high	93.6	Very high	81 Å²	81	37.5 Å²	37.5	38%	0.379	20%	0.203	S	C	.	.			trans	-74.4	123.7	167.3	-175.5	178.1	173.9	0	0	109.2	E506 K507 L508	E504-E506 VanDerWaalsContact C-N 3.33Å; E504-E506 PolarHBondContact O-N 3.02Å; E504-K507 HydrophobicContact CB-CB 4.3Å; E504-K507 HydrophobicContact CB-CD 4.19Å; E504-K507 HydrophobicContact CB-CG 4.29Å; E504-K507 HydrophobicContact CG-CG 4.44Å; E504-K507 PolarHBondContact O-N 3.41Å; E504-K507 VanDerWaalsContact O-N 3.09Å; E504-K507 VanDerWaalsContact OE2-CD 3.3Å; E504-K507 WeakPolarHBondContact OE2-CD 3.37Å; E504-K507 WeakPolarHBondContact OE2-CE 2.96Å; E504-K507 IonicContact OE2-NZ 3.32Å; E504-K507 PolarHBondContact OE2-NZ 2.95Å; E504-L508 PolarHBondContact O-N 2.8Å
505	L	92.9	Very high	93.7	Very high	77 Å²	77	37.4 Å²	37.4	40%	0.403	20%	0.203	S	C	.	.	H	α-helix	trans	-56.5	-43.6	-172	179.8	62.2	0	0	0	112.7	I491 F503 K507 L508 C509	I491-L505 HydrophobicContact CG2-CD1 4.35Å; F503-L505 PolarHBondContact O-N 2.94Å; L505-K507 PolarHBondContact O-N 3.39Å; L505-L508 PolarHBondContact O-N 3.48Å; L505-C509 WeakPolarHBondContact O-CB 3.33Å; L505-C509 PolarHBondContact O-N 3.36Å; L505-C509 PolarHBondContact O-SG 3.5Å; L505-C509 VanDerWaalsContact O-SG 3.33Å
506	E	93.7	Very high	93.7	Very high	67 Å²	67	40 Å²	40	31%	0.313	21%	0.211	S	C	.	.	H	α-helix	trans	-58.7	-48.3	177.6	174.8	170.8	-178.2	0	0	111.1	W456 E504 L508 C509 R510	W456-E506 HydrophobicContact CD2-CG 3.92Å; W456-E506 HydrophobicContact CE3-CB 4.22Å; W456-E506 HydrophobicContact CE3-CG 4.12Å; W456-E506 HydrophobicContact CG-CG 4.46Å; W456-E506 HydrophobicContact CH2-CB 4.25Å; W456-E506 HydrophobicContact CH2-CG 4.24Å; W456-E506 HydrophobicContact CZ2-CG 4.01Å; W456-E506 HydrophobicContact CZ3-CB 4.1Å; W456-E506 HydrophobicContact CZ3-CG 4.3Å; E504-E506 VanDerWaalsContact C-N 3.33Å; E504-E506 PolarHBondContact O-N 3.02Å; E506-L508 PolarHBondContact O-N 3.36Å; E506-C509 PolarHBondContact O-N 3.05Å; E506-R510 HydrophobicContact CG-CG 4.39Å; E506-R510 WeakPolarHBondContact O-CB 3.41Å; E506-R510 VanDerWaalsContact O-CG 3.29Å; E506-R510 WeakPolarHBondContact O-CG 3.47Å; E506-R510 PolarHBondContact O-N 3.42Å; E506-R510 IonicContact OE1-CZ 2.85Å; E506-R510 VanDerWaalsContact OE1-CZ 3.28Å; E506-R510 IonicContact OE1-NE 3.69Å; E506-R510 PolarHBondContact OE1-NE 3.31Å; E506-R510 IonicContact OE1-NH2 3.13Å; E506-R510 PolarHBondContact OE1-NH2 3.01Å
507	K	94.3	Very high	93.7	Very high	52 Å²	52	40.9 Å²	40.9	23%	0.226	21%	0.209	C	C	.	.	H	α-helix	trans	-64.4	-40.8	-179.9	-67.8	-179.1	177.8	145.2	0	111.5	E504 L505 R510 F511 N608 I609 S611	E504-K507 HydrophobicContact CB-CB 4.3Å; E504-K507 HydrophobicContact CB-CD 4.19Å; E504-K507 HydrophobicContact CB-CG 4.29Å; E504-K507 HydrophobicContact CG-CG 4.44Å; E504-K507 PolarHBondContact O-N 3.41Å; E504-K507 VanDerWaalsContact O-N 3.09Å; E504-K507 VanDerWaalsContact OE2-CD 3.3Å; E504-K507 WeakPolarHBondContact OE2-CD 3.37Å; E504-K507 WeakPolarHBondContact OE2-CE 2.96Å; E504-K507 IonicContact OE2-NZ 3.32Å; E504-K507 PolarHBondContact OE2-NZ 2.95Å; L505-K507 PolarHBondContact O-N 3.39Å; K507-R510 PolarHBondContact O-N 2.71Å; K507-F511 WeakPolarHBondContact O-CB 3.34Å; K507-F511 PolarHBondContact O-N 2.86Å; K507-N608 WeakPolarHBondContact CD-O 3.49Å; K507-I609 HydrophobicContact CB-CG2 4.2Å; K507-I609 WeakPolarHBondContact O-CG2 3.49Å; K507-S611 PolarHBondContact NZ-OG 3.14Å
508	L	95.3	Very high	93.8	Very high	1 Å²	1	42 Å²	42	1%	0.005	21%	0.213	C	C	.	.	H	α-helix	trans	-64.6	-44.2	177.5	-176.6	62.2	0	0	0	111.9	F490 I491 V494 F503 E504 L505 E506 T512	F490-L508 HydrophobicContact CE1-CD1 4.34Å; I491-L508 HydrophobicContact CG1-CD2 4.27Å; I491-L508 HydrophobicContact CG1-CG 4.25Å; I491-L508 HydrophobicContact CG2-CD2 4.17Å; V494-L508 HydrophobicContact CB-CD2 4.3Å; V494-L508 HydrophobicContact CG1-CD1 4.36Å; V494-L508 HydrophobicContact CG1-CD2 3.94Å; F503-L508 HydrophobicContact CB-CB 4.24Å; F503-L508 HydrophobicContact CB-CD2 4.26Å; E504-L508 PolarHBondContact O-N 2.8Å; L505-L508 PolarHBondContact O-N 3.48Å; E506-L508 PolarHBondContact O-N 3.36Å; L508-T512 WeakPolarHBondContact O-CB 3.21Å; L508-T512 PolarHBondContact O-N 2.88Å; L508-T512 PolarHBondContact O-OG1 3.3Å
509	C	95.5	Very high	94	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-60.8	-48.3	174.7	-72.7	0	0	0	0	111.4	W456 L459 I491 L505 E506 T512 M513	W456-C509 HydrophobicContact CB-CB 3.92Å; L459-C509 HydrophobicContact CD2-CB 4.09Å; L459-C509 HydrophobicContact CG-CB 4.43Å; I491-C509 VanDerWaalsContact CD1-SG 3.54Å; L505-C509 WeakPolarHBondContact O-CB 3.33Å; L505-C509 PolarHBondContact O-N 3.36Å; L505-C509 PolarHBondContact O-SG 3.5Å; L505-C509 VanDerWaalsContact O-SG 3.33Å; E506-C509 PolarHBondContact O-N 3.05Å; C509-T512 PolarHBondContact O-N 3.41Å; C509-M513 WeakPolarHBondContact O-CB 3.48Å; C509-M513 WeakPolarHBondContact O-CG 3.15Å; C509-M513 PolarHBondContact O-N 3.02Å
510	R	95.4	Very high	94.2	Very high	39 Å²	39	45.7 Å²	45.7	15%	0.147	22%	0.217	C	C	.	.	H	α-helix	trans	-61.6	-47.2	179.3	-73	177.8	178.7	-83.5	8.6	111.7	C451 S453 W456 E506 K507 M513 S514	C451-R510 HydrophobicContact CB-CB 4.19Å; C451-R510 HydrophobicContact CB-CG 4.4Å; C451-R510 VanDerWaalsContact CB-O 3.29Å; C451-R510 WeakPolarHBondContact CB-O 3.3Å; C451-R510 PolarHBondContact O-NH1 2.99Å; S453-R510 PolarHBondContact OG-NH2 3.18Å; W456-R510 HydrophobicContact CB-CG 3.74Å; W456-R510 HydrophobicContact CG-CG 3.97Å; E506-R510 HydrophobicContact CG-CG 4.39Å; E506-R510 WeakPolarHBondContact O-CB 3.41Å; E506-R510 VanDerWaalsContact O-CG 3.29Å; E506-R510 WeakPolarHBondContact O-CG 3.47Å; E506-R510 PolarHBondContact O-N 3.42Å; E506-R510 IonicContact OE1-CZ 2.85Å; E506-R510 VanDerWaalsContact OE1-CZ 3.28Å; E506-R510 IonicContact OE1-NE 3.69Å; E506-R510 PolarHBondContact OE1-NE 3.31Å; E506-R510 IonicContact OE1-NH2 3.13Å; E506-R510 PolarHBondContact OE1-NH2 3.01Å; K507-R510 PolarHBondContact O-N 2.71Å; R510-M513 PolarHBondContact O-N 2.97Å; R510-S514 WeakPolarHBondContact O-CB 3.43Å; R510-S514 PolarHBondContact O-N 3.42Å; R510-S514 PolarHBondContact O-OG 3.3Å; R510-S514 VanDerWaalsContact O-OG 3.04Å
511	F	96.7	Very high	94.4	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-57.1	-52	175.9	175.2	-96.3	0	0	0	111.6	K507 M513 S514 V515 V558 L561 I602 L603 H607 I609	K507-F511 WeakPolarHBondContact O-CB 3.34Å; K507-F511 PolarHBondContact O-N 2.86Å; F511-M513 VanDerWaalsContact C-N 3.3Å; F511-M513 PolarHBondContact O-N 3.39Å; F511-S514 PolarHBondContact O-N 2.9Å; F511-V515 HydrophobicContact CD1-CG2 4.21Å; F511-V515 HydrophobicContact CD2-CG2 4.31Å; F511-V515 HydrophobicContact CE1-CG2 3.81Å; F511-V515 HydrophobicContact CE2-CG2 3.91Å; F511-V515 HydrophobicContact CG-CG2 4.44Å; F511-V515 HydrophobicContact CZ-CG2 3.64Å; F511-V515 VanDerWaalsContact O-CG2 3.3Å; F511-V515 WeakPolarHBondContact O-CG2 3.46Å; F511-V515 PolarHBondContact O-N 3.15Å; F511-V558 HydrophobicContact CE1-CG1 4.16Å; F511-V558 HydrophobicContact CE1-CG2 4.49Å; F511-V558 HydrophobicContact CZ-CG1 3.77Å; F511-L561 HydrophobicContact CE1-CD2 4.4Å; F511-I602 HydrophobicContact CD2-CG2 3.86Å; F511-I602 HydrophobicContact CE2-CG2 4.05Å; F511-L603 HydrophobicContact CD2-CD2 3.94Å; F511-L603 HydrophobicContact CE2-CD2 3.69Å; F511-L603 HydrophobicContact CE2-CG 4.09Å; F511-H607 HydrophobicContact CB-CB 4.4Å; F511-I609 HydrophobicContact CB-CG2 3.42Å; F511-I609 VanDerWaalsContact CB-CG2 3.42Å; F511-I609 HydrophobicContact CD1-CD1 3.9Å; F511-I609 HydrophobicContact CD1-CG2 4.3Å; F511-I609 HydrophobicContact CD2-CD1 4.41Å; F511-I609 HydrophobicContact CD2-CG2 4.32Å; F511-I609 HydrophobicContact CE1-CD1 3.97Å; F511-I609 HydrophobicContact CE2-CD1 4.48Å; F511-I609 HydrophobicContact CG-CD1 4.13Å; F511-I609 HydrophobicContact CG-CG2 3.77Å; F511-I609 HydrophobicContact CZ-CD1 4.27Å
512	T	96.7	Very high	94.8	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-58.5	-42.2	-179	-53.7	0	0	0	0	111.6	P487 F490 L508 C509 R516 W527 L561	P487-T512 HydrophobicContact CB-CG2 3.91Å; F490-T512 HydrophobicContact CB-CG2 4.3Å; F490-T512 HydrophobicContact CD1-CG2 3.8Å; F490-T512 HydrophobicContact CG-CG2 4.38Å; L508-T512 WeakPolarHBondContact O-CB 3.21Å; L508-T512 PolarHBondContact O-N 2.88Å; L508-T512 PolarHBondContact O-OG1 3.3Å; C509-T512 PolarHBondContact O-N 3.41Å; T512-R516 WeakPolarHBondContact O-CB 3.49Å; T512-R516 PolarHBondContact O-N 3.16Å; T512-W527 HydrophobicContact CG2-CH2 4.05Å; T512-W527 HydrophobicContact CG2-CZ2 4.33Å; T512-L561 HydrophobicContact CG2-CD2 4.5Å
513	M	95.6	Very high	95.1	Very high	14 Å²	14	46.8 Å²	46.8	7%	0.069	21%	0.205	C	C	.	.	H	α-helix	trans	-71.9	-38	178.4	-73	-60.9	-68.8	0	0	113.1	C451 E455 L459 P487 C509 R510 F511 R516 K517	C451-M513 HydrophobicContact CB-CB 3.68Å; C451-M513 WeakPolarHBondContact SG-CB 3.43Å; E455-M513 HydrophobicContact CB-CE 4.04Å; E455-M513 HydrophobicContact CG-CE 4.15Å; L459-M513 HydrophobicContact CD2-CG 3.62Å; L459-M513 HydrophobicContact CD2-SD 3.98Å; P487-M513 HydrophobicContact CB-SD 4.08Å; P487-M513 HydrophobicContact CG-SD 3.94Å; C509-M513 WeakPolarHBondContact O-CB 3.48Å; C509-M513 WeakPolarHBondContact O-CG 3.15Å; C509-M513 PolarHBondContact O-N 3.02Å; R510-M513 PolarHBondContact O-N 2.97Å; F511-M513 VanDerWaalsContact C-N 3.3Å; F511-M513 PolarHBondContact O-N 3.39Å; M513-R516 PolarHBondContact O-N 3.34Å; M513-K517 WeakPolarHBondContact O-CG 3.24Å; M513-K517 PolarHBondContact O-N 3.42Å
514	S	95.6	Very high	95.3	Very high	1 Å²	1	47.3 Å²	47.3	1%	0.007	21%	0.207	C	C	.	.	H	α-helix	trans	-64.3	-44.2	173.7	-64.1	0	0	0	0	110.7	C451 R510 F511 R516 K517 N518 H607	C451-S514 WeakPolarHBondContact CB-OG 3.2Å; C451-S514 PolarHBondContact N-OG 3.2Å; R510-S514 WeakPolarHBondContact O-CB 3.43Å; R510-S514 PolarHBondContact O-N 3.42Å; R510-S514 PolarHBondContact O-OG 3.3Å; R510-S514 VanDerWaalsContact O-OG 3.04Å; F511-S514 PolarHBondContact O-N 2.9Å; S514-R516 PolarHBondContact O-N 2.88Å; S514-K517 PolarHBondContact O-N 3.02Å; S514-N518 PolarHBondContact O-N 3.13Å; S514-N518 VanDerWaalsContact O-N 3.15Å; S514-N518 PolarHBondContact O-ND2 3.38Å; S514-H607 PolarHBondContact OG-CD2 3.43Å; S514-H607 PolarHBondContact OG-NE2 3.32Å
515	V	96.8	Very high	95.5	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-57.4	-50	174.1	171.3	0	0	0	0	110.4	F511 K517 N518 Y519 W527 L561 L565 I602	F511-V515 HydrophobicContact CD1-CG2 4.21Å; F511-V515 HydrophobicContact CD2-CG2 4.31Å; F511-V515 HydrophobicContact CE1-CG2 3.81Å; F511-V515 HydrophobicContact CE2-CG2 3.91Å; F511-V515 HydrophobicContact CG-CG2 4.44Å; F511-V515 HydrophobicContact CZ-CG2 3.64Å; F511-V515 VanDerWaalsContact O-CG2 3.3Å; F511-V515 WeakPolarHBondContact O-CG2 3.46Å; F511-V515 PolarHBondContact O-N 3.15Å; V515-K517 VanDerWaalsContact C-N 3.29Å; V515-K517 PolarHBondContact O-N 2.75Å; V515-N518 PolarHBondContact O-N 3.39Å; V515-Y519 HydrophobicContact CG1-CD2 4.15Å; V515-Y519 HydrophobicContact CG1-CE2 3.79Å; V515-Y519 WeakPolarHBondContact O-CD2 3.32Å; V515-Y519 PolarHBondContact O-N 3.36Å; V515-W527 HydrophobicContact CG1-CZ3 3.85Å; V515-L561 HydrophobicContact CB-CD2 4.37Å; V515-L561 HydrophobicContact CG1-CD2 3.96Å; V515-L561 HydrophobicContact CG1-CG 3.98Å; V515-L565 HydrophobicContact CG1-CD1 4.47Å; V515-L565 HydrophobicContact CG1-CD2 3.95Å; V515-L565 HydrophobicContact CG1-CG 4.38Å; V515-L565 WeakPolarHBondContact O-CD2 3.19Å; V515-I602 HydrophobicContact CG2-CD1 4.17Å; V515-I602 HydrophobicContact CG2-CG2 4.5Å
516	R	96	Very high	95.8	Very high	92 Å²	92	43.2 Å²	43.2	35%	0.347	19%	0.186	S	C	.	.	H	α-helix	trans	-52.1	-44.4	175.4	173.5	-177.9	175.8	-161.9	2.2	112.8	T512 M513 S514 N518 Y519 W527	T512-R516 WeakPolarHBondContact O-CB 3.49Å; T512-R516 PolarHBondContact O-N 3.16Å; M513-R516 PolarHBondContact O-N 3.34Å; S514-R516 PolarHBondContact O-N 2.88Å; R516-N518 VanDerWaalsContact C-N 3.28Å; R516-N518 PolarHBondContact O-N 3.12Å; R516-Y519 PolarHBondContact O-N 2.94Å; R516-W527 HydrophobicContact CB-CD2 3.9Å; R516-W527 HydrophobicContact CB-CE3 4.22Å; R516-W527 HydrophobicContact CB-CG 4.35Å; R516-W527 HydrophobicContact CB-CH2 4.29Å; R516-W527 HydrophobicContact CB-CZ2 4.02Å; R516-W527 HydrophobicContact CB-CZ3 4.39Å; R516-W527 HydrophobicContact CG-CD2 3.99Å; R516-W527 HydrophobicContact CG-CG 3.93Å
517	K	94.6	Very high	95.9	Very high	68 Å²	68	40.9 Å²	40.9	30%	0.296	18%	0.175	S	C	.	.	H	α-helix	trans	-67.8	-26.3	-179.8	-76.4	-176.7	177.7	-174.3	0	113.7	I450 E455 M513 S514 V515	I450-K517 PolarHBondContact O-NZ 3.37Å; E455-K517 WeakPolarHBondContact OE1-CE 3.48Å; E455-K517 IonicContact OE1-NZ 2.84Å; E455-K517 PolarHBondContact OE1-NZ 3.2Å; E455-K517 WeakPolarHBondContact OE2-CE 3.43Å; E455-K517 IonicContact OE2-NZ 3.41Å; E455-K517 PolarHBondContact OE2-NZ 3.18Å; M513-K517 WeakPolarHBondContact O-CG 3.24Å; M513-K517 PolarHBondContact O-N 3.42Å; S514-K517 PolarHBondContact O-N 3.02Å; V515-K517 VanDerWaalsContact C-N 3.29Å; V515-K517 PolarHBondContact O-N 2.75Å
518	N	95.3	Very high	96.1	Very high	32 Å²	32	40.9 Å²	40.9	17%	0.171	18%	0.175	C	C	.	.	H	α-helix	trans	-90.8	-0.6	-179.8	-73.5	-82.4	0	0	0	113.2	S449 S514 V515 R516 L565 D566 I602	S449-N518 WeakPolarHBondContact CB-OD1 3.4Å; S449-N518 PolarHBondContact O-ND2 3.37Å; S514-N518 PolarHBondContact O-N 3.13Å; S514-N518 VanDerWaalsContact O-N 3.15Å; S514-N518 PolarHBondContact O-ND2 3.38Å; V515-N518 PolarHBondContact O-N 3.39Å; R516-N518 VanDerWaalsContact C-N 3.28Å; R516-N518 PolarHBondContact O-N 3.12Å; N518-L565 HydrophobicContact CB-CD2 3.7Å; N518-D566 PolarHBondContact O-N 2.91Å; N518-D566 VanDerWaalsContact O-N 3.07Å; N518-I602 HydrophobicContact CB-CD1 4.23Å
519	Y	97.4	Very high	96.2	Very high	16 Å²	16	41.3 Å²	41.3	6%	0.063	18%	0.177	C	C	.	.	S	Bend	trans	-79.2	133.7	164.5	-89.8	-83	0	0	0	111.1	V515 R516 W527 A530 L561 D564 L565	V515-Y519 HydrophobicContact CG1-CD2 4.15Å; V515-Y519 HydrophobicContact CG1-CE2 3.79Å; V515-Y519 WeakPolarHBondContact O-CD2 3.32Å; V515-Y519 PolarHBondContact O-N 3.36Å; R516-Y519 PolarHBondContact O-N 2.94Å; Y519-W527 AromaticContact CD2-CE3 3.73Å; Y519-W527 HydrophobicContact CD2-CE3 3.73Å; Y519-W527 HydrophobicContact CD2-CZ3 4.4Å; Y519-W527 HydrophobicContact CE2-CE3 4.04Å; Y519-W527 HydrophobicContact CE2-CZ3 4.41Å; Y519-W527 HydrophobicContact CG-CB 4.26Å; Y519-W527 HydrophobicContact CG-CE3 4.49Å; Y519-A530 HydrophobicContact CE1-CB 3.86Å; Y519-A530 HydrophobicContact CE2-CB 3.74Å; Y519-A530 VanDerWaalsContact OH-CB 3.29Å; Y519-A530 WeakPolarHBondContact OH-CB 3.35Å; Y519-L561 VanDerWaalsContact CE2-O 3.24Å; Y519-L561 WeakPolarHBondContact CE2-O 3.31Å; Y519-L561 PolarHBondContact OH-O 3.09Å; Y519-D564 VanDerWaalsContact CE1-C 3.5Å; Y519-D564 HydrophobicContact CE1-CB 3.66Å; Y519-D564 VanDerWaalsContact CE1-O 3.28Å; Y519-D564 WeakPolarHBondContact CE1-O 3.42Å; Y519-D564 PolarHBondContact OH-N 3.35Å; Y519-L565 HydrophobicContact CD2-CD2 3.77Å; Y519-L565 HydrophobicContact CE2-CD2 3.66Å; Y519-L565 HydrophobicContact CE2-CG 3.96Å
520	R	95.3	Very high	96.4	Very high	103 Å²	103	41.3 Å²	41.3	39%	0.389	18%	0.177	S	C	.	.			trans	-80.4	159.3	177.7	-66.8	-174.3	175.4	-93.7	-10.5	111.4	V522 D566 H567	R520-V522 VanDerWaalsContact C-N 3.34Å; R520-V522 HydrophobicContact CB-CG1 4.24Å; R520-V522 PolarHBondContact O-N 2.89Å; R520-D566 IonicContact CZ-OD1 3.68Å; R520-D566 IonicContact NE-OD1 2.62Å; R520-D566 PolarHBondContact NE-OD1 2.97Å; R520-D566 IonicContact NH2-OD1 2.69Å; R520-D566 PolarHBondContact NH2-OD1 3.41Å; R520-D566 IonicContact NH2-OD2 3.1Å; R520-H567 WeakPolarHBondContact CB-O 3.31Å; R520-H567 VanDerWaalsContact CD-O 3.27Å; R520-H567 WeakPolarHBondContact CD-O 3.49Å
521	R	94.2	Very high	96.5	Very high	253 Å²	253	39.5 Å²	39.5	96%	0.955	17%	0.17	S	C	*	.			trans	-85.7	78	171.4	-62.9	-176.3	-176.5	-174.2	-0.2	109.5
522	V	95.2	Very high	96.6	Very high	21 Å²	21	40.4 Å²	40.4	13%	0.127	18%	0.176	C	C	.	.			trans	-112.4	158.7	171.2	-63.4	0	0	0	0	109.9	R520 Y524 H525 N526	R520-V522 VanDerWaalsContact C-N 3.34Å; R520-V522 HydrophobicContact CB-CG1 4.24Å; R520-V522 PolarHBondContact O-N 2.89Å; V522-Y524 PolarHBondContact O-N 2.76Å; V522-H525 VanDerWaalsContact CG2-C 3.42Å; V522-H525 HydrophobicContact CG2-CB 4.07Å; V522-H525 WeakPolarHBondContact CG2-O 3.47Å; V522-N526 HydrophobicContact CG2-CB 4.42Å; V522-N526 PolarHBondContact O-ND2 2.79Å
523	P	95.6	Very high	96.6	Very high	56 Å²	56	40.4 Å²	40.4	36%	0.364	18%	0.176	S	C	.	.	S	Bend	trans	-55.1	-47.7	-174.9	-27.9	36.6	0	0	0	114.1	N526 D690 A693 E694	P523-N526 PolarHBondContact O-ND2 3.4Å; P523-D690 VanDerWaalsContact CB-O 3.31Å; P523-D690 WeakPolarHBondContact CB-O 3.4Å; P523-A693 HydrophobicContact CB-CB 4.18Å; P523-A693 HydrophobicContact CG-CB 4.37Å; P523-E694 HydrophobicContact CB-CB 4.3Å; P523-E694 HydrophobicContact CG-CB 4.3Å
524	Y	96.7	Very high	96.8	Very high	21 Å²	21	39.8 Å²	39.8	8%	0.082	17%	0.172	C	C	.	.	S	Bend	trans	-111.9	-57.4	-174.7	-179.8	-112.3	0	0	0	113.7	V522 N526 H529 T687 I691 E694	V522-Y524 PolarHBondContact O-N 2.76Å; Y524-N526 PolarHBondContact O-N 2.84Å; Y524-N526 PolarHBondContact O-ND2 3.01Å; Y524-H529 AromaticContact CE1-CE1 3.96Å; Y524-H529 AromaticContact CE2-ND1 3.98Å; Y524-H529 AromaticContact CZ-CE1 3.7Å; Y524-H529 AromaticContact CZ-ND1 3.56Å; Y524-H529 VanDerWaalsContact O-CB 3.28Å; Y524-H529 WeakPolarHBondContact O-CB 3.4Å; Y524-H529 PolarHBondContact OH-CE1 2.99Å; Y524-H529 VanDerWaalsContact OH-CE1 3.3Å; Y524-H529 PolarHBondContact OH-ND1 3.26Å; Y524-T687 HydrophobicContact CD2-CG2 3.76Å; Y524-T687 HydrophobicContact CE2-CG2 3.31Å; Y524-I691 HydrophobicContact CD1-CG1 3.73Å; Y524-I691 HydrophobicContact CD2-CD1 4.12Å; Y524-I691 HydrophobicContact CD2-CG1 3.41Å; Y524-I691 VanDerWaalsContact CD2-CG1 3.41Å; Y524-I691 HydrophobicContact CE1-CD1 4.25Å; Y524-I691 HydrophobicContact CE1-CG1 3.93Å; Y524-I691 HydrophobicContact CE2-CD1 3.81Å; Y524-I691 HydrophobicContact CE2-CG1 3.63Å; Y524-I691 HydrophobicContact CG-CB 4.47Å; Y524-I691 HydrophobicContact CG-CD1 4.47Å; Y524-I691 HydrophobicContact CG-CG1 3.45Å; Y524-I691 VanDerWaalsContact CG-CG1 3.45Å; Y524-E694 PolarHBondContact N-OE2 3.02Å
525	H	97.8	Very high	96.9	Very high	38 Å²	38	39.7 Å²	39.7	18%	0.176	17%	0.172	C	C	.	.	S	Bend	trans	-76.8	62.3	-173.4	-57	95.7	0	0	0	112.7	V522 D564 H567 E694	V522-H525 VanDerWaalsContact CG2-C 3.42Å; V522-H525 HydrophobicContact CG2-CB 4.07Å; V522-H525 WeakPolarHBondContact CG2-O 3.47Å; H525-D564 IonicContact CD2-OD2 3.03Å; H525-D564 PolarHBondContact CD2-OD2 3.48Å; H525-D564 VanDerWaalsContact CD2-OD2 3.29Å; H525-D564 IonicContact CG-OD2 2.71Å; H525-H567 HydrophobicContact CB-CB 3.84Å; H525-H567 WeakPolarHBondContact CB-ND1 3.38Å; H525-H567 AromaticContact CE1-CE1 3.93Å; H525-H567 AromaticContact CG-CE1 3.74Å; H525-H567 AromaticContact CG-CG 3.96Å; H525-H567 AromaticContact CG-ND1 3.63Å; H525-H567 AromaticContact ND1-CE1 3.46Å; H525-H567 PolarHBondContact ND1-CE1 3.23Å; H525-H567 AromaticContact ND1-ND1 3.68Å; H525-E694 IonicContact CE1-OE1 3.39Å; H525-E694 PolarHBondContact CE1-OE1 2.96Å; H525-E694 IonicContact CG-OE1 3.74Å; H525-E694 PolarHBondContact N-OE2 3.19Å; H525-E694 VanDerWaalsContact ND1-CD 3.34Å; H525-E694 IonicContact ND1-OE1 3.06Å; H525-E694 PolarHBondContact ND1-OE1 3.01Å; H525-E694 IonicContact ND1-OE2 3.7Å; H525-E694 PolarHBondContact ND1-OE2 2.8Å
526	N	97.2	Very high	97	Very high	33 Å²	33	39.9 Å²	39.9	18%	0.176	17%	0.173	C	C	.	.	S	Bend	trans	-121.5	-176.9	-175.8	64.1	49.4	0	0	0	111.5	V522 P523 Y524 K528 H529 A530	V522-N526 HydrophobicContact CG2-CB 4.42Å; V522-N526 PolarHBondContact O-ND2 2.79Å; P523-N526 PolarHBondContact O-ND2 3.4Å; Y524-N526 PolarHBondContact O-N 2.84Å; Y524-N526 PolarHBondContact O-ND2 3.01Å; N526-K528 PolarHBondContact O-N 3.26Å; N526-K528 WeakPolarHBondContact OD1-CB 3.38Å; N526-K528 PolarHBondContact OD1-N 3.37Å; N526-H529 WeakPolarHBondContact O-CB 3.24Å; N526-H529 PolarHBondContact O-N 3.4Å; N526-H529 VanDerWaalsContact O-N 3.1Å; N526-A530 PolarHBondContact O-N 3.14Å
527	W	97.8	Very high	97.1	Very high	18 Å²	18	35.5 Å²	35.5	7%	0.068	16%	0.157	C	C	.	.	H	α-helix	trans	-56.6	-33.7	-178	176.5	-125.9	0	0	0	114	W486 P487 T512 V515 R516 Y519 A530 V531 L561	W486-W527 AromaticContact CE3-CD1 3.44Å; W486-W527 VanDerWaalsContact CE3-CD1 3.44Å; W486-W527 HydrophobicContact CE3-CG 4.34Å; W486-W527 AromaticContact CE3-NE1 3.71Å; W486-W527 AromaticContact CZ3-CD1 3.97Å; P487-W527 HydrophobicContact CG-CZ2 4.27Å; T512-W527 HydrophobicContact CG2-CH2 4.05Å; T512-W527 HydrophobicContact CG2-CZ2 4.33Å; V515-W527 HydrophobicContact CG1-CZ3 3.85Å; R516-W527 HydrophobicContact CB-CD2 3.9Å; R516-W527 HydrophobicContact CB-CE3 4.22Å; R516-W527 HydrophobicContact CB-CG 4.35Å; R516-W527 HydrophobicContact CB-CH2 4.29Å; R516-W527 HydrophobicContact CB-CZ2 4.02Å; R516-W527 HydrophobicContact CB-CZ3 4.39Å; R516-W527 HydrophobicContact CG-CD2 3.99Å; R516-W527 HydrophobicContact CG-CG 3.93Å; Y519-W527 AromaticContact CD2-CE3 3.73Å; Y519-W527 HydrophobicContact CD2-CE3 3.73Å; Y519-W527 HydrophobicContact CD2-CZ3 4.4Å; Y519-W527 HydrophobicContact CE2-CE3 4.04Å; Y519-W527 HydrophobicContact CE2-CZ3 4.41Å; Y519-W527 HydrophobicContact CG-CB 4.26Å; Y519-W527 HydrophobicContact CG-CE3 4.49Å; W527-A530 HydrophobicContact CE3-CB 4.21Å; W527-A530 PolarHBondContact O-N 3.38Å; W527-V531 HydrophobicContact CD2-CG2 3.8Å; W527-V531 VanDerWaalsContact CE2-CG2 3.46Å; W527-V531 HydrophobicContact CE3-CG2 3.99Å; W527-V531 HydrophobicContact CH2-CG2 3.64Å; W527-V531 HydrophobicContact CZ2-CG2 3.38Å; W527-V531 HydrophobicContact CZ3-CG2 3.92Å; W527-V531 WeakPolarHBondContact O-CG2 3.35Å; W527-V531 PolarHBondContact O-N 3.09Å; W527-V531 VanDerWaalsContact O-N 3.12Å; W527-L561 HydrophobicContact CE3-CD1 4.45Å; W527-L561 HydrophobicContact CH2-CD1 3.46Å; W527-L561 VanDerWaalsContact CH2-CD1 3.46Å; W527-L561 HydrophobicContact CH2-CD2 3.93Å; W527-L561 HydrophobicContact CH2-CG 3.96Å; W527-L561 HydrophobicContact CZ3-CD1 3.38Å; W527-L561 HydrophobicContact CZ3-CD2 4.04Å; W527-L561 HydrophobicContact CZ3-CG 3.68Å
528	K	97.6	Very high	97.3	Very high	53 Å²	53	32.3 Å²	32.3	23%	0.23	14%	0.143	C	C	.	.	H	α-helix	trans	-62.5	-47.4	176.6	-175.3	-171.8	173.3	-176.3	0	110.8	I479 S480 W486 N526 V531 T532	I479-K528 HydrophobicContact CD1-CG 3.81Å; I479-K528 VanDerWaalsContact CD1-O 3.26Å; I479-K528 WeakPolarHBondContact CD1-O 3.45Å; I479-K528 HydrophobicContact CG1-CG 4.11Å; S480-K528 WeakPolarHBondContact OG-CE 3.2Å; S480-K528 PolarHBondContact OG-NZ 3.48Å; W486-K528 HydrophobicContact CE3-CB 4.43Å; W486-K528 HydrophobicContact CH2-CB 3.5Å; W486-K528 VanDerWaalsContact CH2-CB 3.5Å; W486-K528 HydrophobicContact CH2-CD 4.07Å; W486-K528 HydrophobicContact CH2-CG 3.59Å; W486-K528 HydrophobicContact CZ2-CB 4.22Å; W486-K528 HydrophobicContact CZ2-CD 4.33Å; W486-K528 HydrophobicContact CZ2-CG 3.82Å; W486-K528 HydrophobicContact CZ3-CB 3.6Å; W486-K528 HydrophobicContact CZ3-CG 4.14Å; N526-K528 PolarHBondContact O-N 3.26Å; N526-K528 WeakPolarHBondContact OD1-CB 3.38Å; N526-K528 PolarHBondContact OD1-N 3.37Å; K528-V531 PolarHBondContact O-N 3.38Å; K528-T532 WeakPolarHBondContact O-CB 3.33Å; K528-T532 PolarHBondContact O-N 3.41Å; K528-T532 PolarHBondContact O-OG1 2.89Å
529	H	97.9	Very high	97.3	Very high	10 Å²	10	30.8 Å²	30.8	5%	0.046	14%	0.135	C	C	.	.	H	α-helix	trans	-57.7	-52.2	177.3	173.6	58	0	0	0	110.6	Y524 N526 V531 T532 V533 H563 D564 D673	Y524-H529 AromaticContact CE1-CE1 3.96Å; Y524-H529 AromaticContact CE2-ND1 3.98Å; Y524-H529 AromaticContact CZ-CE1 3.7Å; Y524-H529 AromaticContact CZ-ND1 3.56Å; Y524-H529 VanDerWaalsContact O-CB 3.28Å; Y524-H529 WeakPolarHBondContact O-CB 3.4Å; Y524-H529 PolarHBondContact OH-CE1 2.99Å; Y524-H529 VanDerWaalsContact OH-CE1 3.3Å; Y524-H529 PolarHBondContact OH-ND1 3.26Å; N526-H529 WeakPolarHBondContact O-CB 3.24Å; N526-H529 PolarHBondContact O-N 3.4Å; N526-H529 VanDerWaalsContact O-N 3.1Å; H529-V531 VanDerWaalsContact C-N 3.34Å; H529-V531 PolarHBondContact O-N 3.18Å; H529-T532 CarbonylContact O-C 3.59Å; H529-T532 WeakPolarHBondContact O-CA 3.45Å; H529-T532 WeakPolarHBondContact O-CB 3.32Å; H529-T532 PolarHBondContact O-N 3.19Å; H529-V533 WeakPolarHBondContact CE1-CG2 3.27Å; H529-V533 WeakPolarHBondContact O-CG2 3.19Å; H529-V533 PolarHBondContact O-N 2.91Å; H529-H563 AromaticContact CD2-CE1 3.8Å; H529-H563 AromaticContact CD2-NE2 3.84Å; H529-H563 AromaticContact NE2-CE1 3.52Å; H529-H563 AromaticContact NE2-NE2 3.24Å; H529-H563 PolarHBondContact NE2-NE2 3.15Å; H529-D564 IonicContact CD2-OD2 3.78Å; H529-D564 PolarHBondContact CD2-OD2 2.92Å; H529-D564 IonicContact NE2-OD2 3.75Å; H529-D564 PolarHBondContact NE2-OD2 2.88Å; H529-D673 PolarHBondContact CE1-O 3.48Å; H529-D673 IonicContact CE1-OD1 3.24Å; H529-D673 PolarHBondContact CE1-OD1 3.05Å; H529-D673 IonicContact NE2-OD1 3.6Å; H529-D673 PolarHBondContact NE2-OD1 3.31Å
530	A	98.3	Very high	97.3	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-53.6	-45.3	179.3	0	0	0	0	0	114.1	Y519 N526 W527 T532 V533 A534	Y519-A530 HydrophobicContact CE1-CB 3.86Å; Y519-A530 HydrophobicContact CE2-CB 3.74Å; Y519-A530 VanDerWaalsContact OH-CB 3.29Å; Y519-A530 WeakPolarHBondContact OH-CB 3.35Å; N526-A530 PolarHBondContact O-N 3.14Å; W527-A530 HydrophobicContact CE3-CB 4.21Å; W527-A530 PolarHBondContact O-N 3.38Å; A530-T532 VanDerWaalsContact C-N 3.33Å; A530-V533 PolarHBondContact O-N 2.76Å; A530-A534 WeakPolarHBondContact O-CB 3.45Å; A530-A534 PolarHBondContact O-N 2.84Å
531	V	98.3	Very high	97.4	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-68.6	-34.2	177.5	177.2	0	0	0	0	111.5	I479 W486 W527 K528 H529 H535 L561	I479-V531 HydrophobicContact CD1-CB 3.92Å; I479-V531 HydrophobicContact CD1-CG1 3.95Å; W486-V531 HydrophobicContact CB-CG1 4.26Å; W486-V531 HydrophobicContact CB-CG2 4.25Å; W527-V531 HydrophobicContact CD2-CG2 3.8Å; W527-V531 VanDerWaalsContact CE2-CG2 3.46Å; W527-V531 HydrophobicContact CE3-CG2 3.99Å; W527-V531 HydrophobicContact CH2-CG2 3.64Å; W527-V531 HydrophobicContact CZ2-CG2 3.38Å; W527-V531 HydrophobicContact CZ3-CG2 3.92Å; W527-V531 WeakPolarHBondContact O-CG2 3.35Å; W527-V531 PolarHBondContact O-N 3.09Å; W527-V531 VanDerWaalsContact O-N 3.12Å; K528-V531 PolarHBondContact O-N 3.38Å; H529-V531 VanDerWaalsContact C-N 3.34Å; H529-V531 PolarHBondContact O-N 3.18Å; V531-H535 VanDerWaalsContact O-CB 3.3Å; V531-H535 WeakPolarHBondContact O-CB 3.43Å; V531-H535 PolarHBondContact O-N 3.42Å; V531-L561 HydrophobicContact CG2-CD1 4.04Å
532	T	98	Very high	97.3	Very high	20 Å²	20	17.2 Å²	17.2	12%	0.123	9%	0.087	C	C	.	.	H	α-helix	trans	-68.1	-40.6	176.4	-50.8	0	0	0	0	111.5	I479 K528 H529 A530 H535 C536	I479-T532 WeakPolarHBondContact CD1-OG1 3.4Å; K528-T532 WeakPolarHBondContact O-CB 3.33Å; K528-T532 PolarHBondContact O-N 3.41Å; K528-T532 PolarHBondContact O-OG1 2.89Å; H529-T532 CarbonylContact O-C 3.59Å; H529-T532 WeakPolarHBondContact O-CA 3.45Å; H529-T532 WeakPolarHBondContact O-CB 3.32Å; H529-T532 PolarHBondContact O-N 3.19Å; A530-T532 VanDerWaalsContact C-N 3.33Å; T532-H535 WeakPolarHBondContact O-CB 3.19Å; T532-H535 PolarHBondContact O-N 3.32Å; T532-C536 PolarHBondContact O-N 3.27Å
533	V	98.6	Very high	97.2	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-64	-47.4	174.5	175.3	0	0	0	0	110.5	H529 A530 H535 C536 M537 C560 C672	H529-V533 WeakPolarHBondContact CE1-CG2 3.27Å; H529-V533 WeakPolarHBondContact O-CG2 3.19Å; H529-V533 PolarHBondContact O-N 2.91Å; A530-V533 PolarHBondContact O-N 2.76Å; V533-H535 VanDerWaalsContact C-N 3.25Å; V533-H535 PolarHBondContact O-N 2.68Å; V533-C536 PolarHBondContact O-N 3.06Å; V533-C536 VanDerWaalsContact O-N 3.17Å; V533-M537 PolarHBondContact O-N 2.96Å; V533-C560 HydrophobicContact CG1-CB 3.91Å; V533-C672 HydrophobicContact CG1-CB 3.82Å
534	A	98.6	Very high	97	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-60.6	-35.6	175	0	0	0	0	0	112.4	F490 M493 A530 F538 C560 L561	F490-A534 HydrophobicContact CD2-CB 4.05Å; F490-A534 HydrophobicContact CE2-CB 4.08Å; M493-A534 HydrophobicContact CE-CB 4.17Å; A530-A534 WeakPolarHBondContact O-CB 3.45Å; A530-A534 PolarHBondContact O-N 2.84Å; A534-F538 WeakPolarHBondContact O-CB 3.44Å; A534-F538 PolarHBondContact O-N 2.78Å; A534-C560 HydrophobicContact CB-CB 3.94Å; A534-L561 HydrophobicContact CB-CD1 4.28Å
535	H	98.3	Very high	96.5	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-65.4	-43.8	173.4	169.8	-94.1	0	0	0	113.2	I472 T474 F477 M493 V531 T532 V533 M537 F538 A539 K679	I472-H535 PolarHBondContact O-CD2 2.88Å; I472-H535 PolarHBondContact O-NE2 2.93Å; T474-H535 PolarHBondContact O-CE1 3.36Å; T474-H535 PolarHBondContact O-NE2 3.22Å; F477-H535 AromaticContact CD1-CD2 3.79Å; F477-H535 AromaticContact CD1-NE2 3.73Å; M493-H535 HydrophobicContact CE-CB 4.3Å; M493-H535 WeakPolarHBondContact SD-CA 3.48Å; M493-H535 HydrophobicContact SD-CB 3.76Å; V531-H535 VanDerWaalsContact O-CB 3.3Å; V531-H535 WeakPolarHBondContact O-CB 3.43Å; V531-H535 PolarHBondContact O-N 3.42Å; T532-H535 WeakPolarHBondContact O-CB 3.19Å; T532-H535 PolarHBondContact O-N 3.32Å; V533-H535 VanDerWaalsContact C-N 3.25Å; V533-H535 PolarHBondContact O-N 2.68Å; H535-M537 VanDerWaalsContact C-N 3.32Å; H535-M537 PolarHBondContact O-N 3.16Å; H535-F538 WeakPolarHBondContact O-CB 3.27Å; H535-F538 PolarHBondContact O-N 2.67Å; H535-A539 PolarHBondContact O-N 2.98Å; H535-K679 PolarHBondContact ND1-NZ 3.28Å
536	C	98.3	Very high	95.9	Very high	4 Å²	4	25.3 Å²	25.3	3%	0.027	15%	0.151	C	C	.	.	H	α-helix	trans	-59.2	-47	175.9	-168.6	0	0	0	0	110.7	T532 V533 F538 A539 I540 C672 C675	T532-C536 PolarHBondContact O-N 3.27Å; V533-C536 PolarHBondContact O-N 3.06Å; V533-C536 VanDerWaalsContact O-N 3.17Å; C536-F538 PolarHBondContact O-N 3.36Å; C536-A539 PolarHBondContact O-N 2.94Å; C536-I540 WeakPolarHBondContact O-CG1 3.36Å; C536-I540 PolarHBondContact O-N 3.05Å; C536-C672 HydrophobicContact CB-CB 4.15Å; C536-C675 HydrophobicContact CB-CB 3.62Å; C536-C675 VanDerWaalsContact SG-CB 3.56Å
537	M	98.4	Very high	95.6	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-59.5	-47.3	176.2	-178.1	60.1	74.8	0	0	111.7	V533 H535 A539 I540 L541 L556 L557 C560 M668 M669 C672	V533-M537 PolarHBondContact O-N 2.96Å; H535-M537 VanDerWaalsContact C-N 3.32Å; H535-M537 PolarHBondContact O-N 3.16Å; M537-A539 PolarHBondContact O-N 3.1Å; M537-I540 PolarHBondContact O-N 3.04Å; M537-L541 HydrophobicContact CG-CD1 3.91Å; M537-L541 HydrophobicContact CG-CG 4.34Å; M537-L541 WeakPolarHBondContact O-CB 3.24Å; M537-L541 VanDerWaalsContact O-CG 3.27Å; M537-L541 WeakPolarHBondContact O-CG 3.24Å; M537-L541 PolarHBondContact O-N 3.31Å; M537-L541 HydrophobicContact SD-CD1 4.18Å; M537-L541 HydrophobicContact SD-CG 4.11Å; M537-L556 HydrophobicContact CE-CB 4.23Å; M537-L556 HydrophobicContact CE-CD2 4.17Å; M537-L556 HydrophobicContact CG-CB 4.15Å; M537-L556 HydrophobicContact SD-CB 4.1Å; M537-L556 HydrophobicContact SD-CD1 4.22Å; M537-L557 HydrophobicContact CB-CD2 4.46Å; M537-L557 HydrophobicContact CG-CD2 4.23Å; M537-C560 HydrophobicContact CB-CB 4.49Å; M537-C560 WeakPolarHBondContact CB-SG 3.27Å; M537-M668 HydrophobicContact CE-CB 4.13Å; M537-M668 HydrophobicContact CE-CE 4.44Å; M537-M668 HydrophobicContact SD-CE 3.77Å; M537-M669 HydrophobicContact CE-CG 4.42Å; M537-M669 HydrophobicContact CE-SD 3.54Å; M537-M669 VanDerWaalsContact CE-SD 3.54Å; M537-C672 VanDerWaalsContact CA-SG 3.54Å; M537-C672 PolarHBondContact N-SG 3.24Å; M537-C672 VanDerWaalsContact N-SG 3.44Å
538	F	98.1	Very high	95.4	Very high	1 Å²	1	26.3 Å²	26.3	0%	0.004	16%	0.156	C	C	.	.	H	α-helix	trans	-53.5	-50.3	174.7	165.3	-97.6	0	0	0	112	I472 Y492 M493 S497 A534 H535 C536 I540 L541 Q542 L557	I472-F538 HydrophobicContact CG2-CD1 4.22Å; I472-F538 HydrophobicContact CG2-CE1 3.78Å; I472-F538 HydrophobicContact CG2-CZ 4.48Å; Y492-F538 HydrophobicContact CE1-CZ 4.34Å; M493-F538 HydrophobicContact CB-CB 4.05Å; M493-F538 HydrophobicContact CB-CD1 4.48Å; M493-F538 HydrophobicContact CB-CD2 3.54Å; M493-F538 HydrophobicContact CB-CE2 4.11Å; M493-F538 HydrophobicContact CB-CG 3.76Å; M493-F538 HydrophobicContact CG-CB 4.01Å; M493-F538 HydrophobicContact CG-CD1 3.85Å; M493-F538 HydrophobicContact CG-CD2 3.81Å; M493-F538 HydrophobicContact CG-CE1 4.29Å; M493-F538 HydrophobicContact CG-CE2 4.26Å; M493-F538 HydrophobicContact CG-CG 3.59Å; M493-F538 HydrophobicContact CG-CZ 4.47Å; M493-F538 WeakPolarHBondContact O-CD2 3.32Å; M493-F538 WeakPolarHBondContact O-CE2 3.49Å; M493-F538 HydrophobicContact SD-CB 3.73Å; M493-F538 HydrophobicContact SD-CD1 4.05Å; M493-F538 HydrophobicContact SD-CG 3.88Å; S497-F538 WeakPolarHBondContact OG-CD2 3.38Å; A534-F538 WeakPolarHBondContact O-CB 3.44Å; A534-F538 PolarHBondContact O-N 2.78Å; H535-F538 WeakPolarHBondContact O-CB 3.27Å; H535-F538 PolarHBondContact O-N 2.67Å; C536-F538 PolarHBondContact O-N 3.36Å; F538-I540 VanDerWaalsContact C-N 3.32Å; F538-I540 PolarHBondContact O-N 3.46Å; F538-L541 PolarHBondContact O-N 3.34Å; F538-Q542 HydrophobicContact CD1-CG 4.46Å; F538-Q542 HydrophobicContact CD2-CG 3.95Å; F538-Q542 HydrophobicContact CE1-CG 4.03Å; F538-Q542 HydrophobicContact CE2-CG 3.46Å; F538-Q542 VanDerWaalsContact CE2-CG 3.46Å; F538-Q542 HydrophobicContact CG-CG 4.42Å; F538-Q542 HydrophobicContact CZ-CG 3.52Å; F538-Q542 WeakPolarHBondContact O-CB 3.44Å; F538-Q542 WeakPolarHBondContact O-CG 3.46Å; F538-Q542 PolarHBondContact O-N 2.89Å; F538-L557 HydrophobicContact CB-CD2 4.02Å
539	A	97.1	Very high	95.3	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-64.8	-35.1	-177.8	0	0	0	0	0	112.6	F475 H535 C536 M537 K543	F475-A539 HydrophobicContact CD1-CB 3.51Å; F475-A539 HydrophobicContact CE1-CB 3.6Å; F475-A539 HydrophobicContact CG-CB 4.5Å; H535-A539 PolarHBondContact O-N 2.98Å; C536-A539 PolarHBondContact O-N 2.94Å; M537-A539 PolarHBondContact O-N 3.1Å; A539-K543 WeakPolarHBondContact O-CG 3.1Å; A539-K543 PolarHBondContact O-N 2.78Å
540	I	96.8	Very high	95.1	Very high	1 Å²	1	31 Å²	31	1%	0.005	18%	0.184	C	C	.	.	H	α-helix	trans	-67.3	-47.7	174.2	-65.9	167.5	0	0	0	110.5	F475 C536 M537 F538 Q542 K543 T544 M668 L740 L750	F475-I540 HydrophobicContact CE1-CG1 3.91Å; C536-I540 WeakPolarHBondContact O-CG1 3.36Å; C536-I540 PolarHBondContact O-N 3.05Å; M537-I540 PolarHBondContact O-N 3.04Å; F538-I540 VanDerWaalsContact C-N 3.32Å; F538-I540 PolarHBondContact O-N 3.46Å; I540-Q542 PolarHBondContact O-N 3.4Å; I540-K543 PolarHBondContact O-N 3.33Å; I540-T544 VanDerWaalsContact O-CB 3.23Å; I540-T544 WeakPolarHBondContact O-CB 3.5Å; I540-T544 PolarHBondContact O-N 3.46Å; I540-T544 VanDerWaalsContact O-N 3.11Å; I540-T544 PolarHBondContact O-OG1 2.81Å; I540-M668 HydrophobicContact CG2-CE 3.88Å; I540-L740 HydrophobicContact CD1-CD2 4.1Å; I540-L750 HydrophobicContact CD1-CD1 4.2Å; I540-L750 HydrophobicContact CG1-CD1 4.17Å
541	L	96.1	Very high	94.9	Very high	9 Å²	9	32.3 Å²	32.3	5%	0.047	19%	0.191	C	C	.	.	H	α-helix	trans	-62.6	-40.8	-179.6	-70.6	174.9	0	0	0	112.1	M537 F538 K543 T544 F548 K553 L556 L557 M668	M537-L541 HydrophobicContact CG-CD1 3.91Å; M537-L541 HydrophobicContact CG-CG 4.34Å; M537-L541 WeakPolarHBondContact O-CB 3.24Å; M537-L541 VanDerWaalsContact O-CG 3.27Å; M537-L541 WeakPolarHBondContact O-CG 3.24Å; M537-L541 PolarHBondContact O-N 3.31Å; M537-L541 HydrophobicContact SD-CD1 4.18Å; M537-L541 HydrophobicContact SD-CG 4.11Å; F538-L541 PolarHBondContact O-N 3.34Å; L541-K543 VanDerWaalsContact C-N 3.3Å; L541-K543 PolarHBondContact O-N 3.31Å; L541-T544 PolarHBondContact O-N 2.84Å; L541-F548 HydrophobicContact CD2-CB 4.29Å; L541-F548 HydrophobicContact CD2-CD2 3.53Å; L541-F548 HydrophobicContact CD2-CE2 4.01Å; L541-F548 HydrophobicContact CD2-CG 3.86Å; L541-K553 HydrophobicContact CD1-CB 4.49Å; L541-K553 HydrophobicContact CD1-CG 4.4Å; L541-K553 HydrophobicContact CD2-CG 4.4Å; L541-L556 HydrophobicContact CD2-CD1 4.39Å; L541-L557 HydrophobicContact CD1-CD2 4.36Å; L541-L557 HydrophobicContact CD1-CG 4.23Å; L541-M668 HydrophobicContact CD2-CE 4.36Å
542	Q	93.5	Very high	94.8	Very high	76 Å²	76	32.8 Å²	32.8	36%	0.355	19%	0.193	S	C	.	.	H	α-helix	trans	-64.3	-35.7	178.2	-75.3	-62	-19.8	0	0	112.8	S496 S497 F538 I540 T544	S496-Q542 PolarHBondContact O-NE2 3.22Å; S497-Q542 PolarHBondContact OG-NE2 3.26Å; S497-Q542 VanDerWaalsContact OG-NE2 3.13Å; F538-Q542 HydrophobicContact CD1-CG 4.46Å; F538-Q542 HydrophobicContact CD2-CG 3.95Å; F538-Q542 HydrophobicContact CE1-CG 4.03Å; F538-Q542 HydrophobicContact CE2-CG 3.46Å; F538-Q542 VanDerWaalsContact CE2-CG 3.46Å; F538-Q542 HydrophobicContact CG-CG 4.42Å; F538-Q542 HydrophobicContact CZ-CG 3.52Å; F538-Q542 WeakPolarHBondContact O-CB 3.44Å; F538-Q542 WeakPolarHBondContact O-CG 3.46Å; F538-Q542 PolarHBondContact O-N 2.89Å; I540-Q542 PolarHBondContact O-N 3.4Å; Q542-T544 VanDerWaalsContact C-N 3.34Å
543	K	92.8	Very high	94.7	Very high	84 Å²	84	33.9 Å²	33.9	37%	0.365	20%	0.196	S	C	.	.	H	α-helix	trans	-86.9	-7.3	-179	-67.3	-179.9	-177.4	-176.6	0	113.5	F475 A539 I540 L541 P746	F475-K543 HydrophobicContact CD2-CD 4.41Å; F475-K543 VanDerWaalsContact CD2-NZ 3.26Å; F475-K543 HydrophobicContact CE1-CD 4.43Å; F475-K543 HydrophobicContact CE2-CD 3.54Å; F475-K543 HydrophobicContact CZ-CD 3.57Å; A539-K543 WeakPolarHBondContact O-CG 3.1Å; A539-K543 PolarHBondContact O-N 2.78Å; I540-K543 PolarHBondContact O-N 3.33Å; L541-K543 VanDerWaalsContact C-N 3.3Å; L541-K543 PolarHBondContact O-N 3.31Å; K543-P746 HydrophobicContact CB-CB 3.91Å; K543-P746 WeakPolarHBondContact O-CG 3.38Å
544	T	90.7	Very high	94.6	Very high	12 Å²	12	35 Å²	35	7%	0.074	20%	0.201	C	C	.	.	S	Bend	trans	-121	88.8	-175.1	-53.6	0	0	0	0	109.9	I540 L541 Q542 I547 F548 F744	I540-T544 VanDerWaalsContact O-CB 3.23Å; I540-T544 WeakPolarHBondContact O-CB 3.5Å; I540-T544 PolarHBondContact O-N 3.46Å; I540-T544 VanDerWaalsContact O-N 3.11Å; I540-T544 PolarHBondContact O-OG1 2.81Å; L541-T544 PolarHBondContact O-N 2.84Å; Q542-T544 VanDerWaalsContact C-N 3.34Å; T544-I547 HydrophobicContact CG2-CB 4.32Å; T544-I547 HydrophobicContact CG2-CD1 3.58Å; T544-I547 HydrophobicContact CG2-CG1 4.07Å; T544-F548 HydrophobicContact CG2-CE2 4.07Å; T544-F744 HydrophobicContact CG2-CD1 3.63Å; T544-F744 HydrophobicContact CG2-CE1 4.07Å; T544-F744 HydrophobicContact CG2-CG 4.33Å
545	T	85.6	Confident	94.6	Very high	127 Å²	127	35 Å²	35	78%	0.779	20%	0.201	S	C	*	.			trans	-88.7	138.8	-175.1	56.5	0	0	0	0	112.7
546	G	85.9	Confident	94.6	Very high	84 Å²	84	35 Å²	35	87%	0.866	20%	0.201	S	C	*	.	S	Bend	trans	86.3	0.3	168.1	0	0	0	0	0	116.6
547	I	91.6	Very high	94.6	Very high	56 Å²	56	34.8 Å²	34.8	29%	0.287	20%	0.2	S	C	.	.	S	Bend	trans	-95.2	-39.9	-179.5	-58	-172.1	0	0	0	112.5	T544 L655 R661 F744	T544-I547 HydrophobicContact CG2-CB 4.32Å; T544-I547 HydrophobicContact CG2-CD1 3.58Å; T544-I547 HydrophobicContact CG2-CG1 4.07Å; I547-L655 HydrophobicContact CG2-CD1 3.78Å; I547-R661 PolarHBondContact O-NH2 3Å; I547-F744 HydrophobicContact CD1-CD1 3.97Å; I547-F744 HydrophobicContact CD1-CE1 3.78Å; I547-F744 HydrophobicContact CG2-CE1 4.34Å
548	F	93.9	Very high	94.6	Very high	16 Å²	16	34.9 Å²	34.9	7%	0.07	20%	0.2	C	C	.	.	S	Bend	trans	-101.2	136.4	-175.5	-58	-78.5	0	0	0	111.5	L541 T544 E552 K553 L556 M668 F744	L541-F548 HydrophobicContact CD2-CB 4.29Å; L541-F548 HydrophobicContact CD2-CD2 3.53Å; L541-F548 HydrophobicContact CD2-CE2 4.01Å; L541-F548 HydrophobicContact CD2-CG 3.86Å; T544-F548 HydrophobicContact CG2-CE2 4.07Å; F548-E552 HydrophobicContact CB-CB 4.45Å; F548-K553 HydrophobicContact CB-CG 4.18Å; F548-L556 HydrophobicContact CD1-CD1 4.3Å; F548-M668 HydrophobicContact CE1-CE 4.08Å; F548-M668 HydrophobicContact CE1-SD 3.63Å; F548-M668 HydrophobicContact CE2-CE 3.92Å; F548-M668 HydrophobicContact CE2-SD 4.21Å; F548-M668 HydrophobicContact CZ-CE 3.5Å; F548-M668 HydrophobicContact CZ-SD 3.23Å; F548-M668 WeakPolarHBondContact CZ-SD 3.28Å; F548-F744 HydrophobicContact CE2-CE1 4.26Å; F548-F744 HydrophobicContact CE2-CZ 4.23Å; F548-F744 HydrophobicContact CZ-CE1 4.08Å; F548-F744 HydrophobicContact CZ-CE2 4.39Å; F548-F744 AromaticContact CZ-CZ 3.66Å; F548-F744 HydrophobicContact CZ-CZ 3.66Å
549	T	94.3	Very high	94.6	Very high	73 Å²	73	34.9 Å²	34.9	45%	0.448	20%	0.2	S	C	.	.			trans	-71.2	161.9	172.3	65.6	0	0	0	0	110.9	L551 E552 K553	T549-L551 VanDerWaalsContact C-N 3.28Å; T549-L551 PolarHBondContact O-N 3.49Å; T549-E552 WeakPolarHBondContact CB-OE2 3.28Å; T549-E552 WeakPolarHBondContact CG2-OE2 3.1Å; T549-E552 PolarHBondContact N-OE2 3.12Å; T549-E552 PolarHBondContact O-N 3.06Å; T549-E552 VanDerWaalsContact OG1-CD 3.29Å; T549-E552 VanDerWaalsContact OG1-CG 3.26Å; T549-E552 WeakPolarHBondContact OG1-CG 3.46Å; T549-E552 PolarHBondContact OG1-N 2.78Å; T549-E552 PolarHBondContact OG1-OE2 3.31Å; T549-K553 WeakPolarHBondContact O-CG 3.44Å; T549-K553 PolarHBondContact O-N 3.01Å
550	E	93.3	Very high	94.7	Very high	87 Å²	87	34.9 Å²	34.9	41%	0.407	20%	0.2	S	C	.	.	H	α-helix	trans	-62.1	-35.7	177	-66.9	-56	121.2	0	0	112.5	E552 K553 K554	E550-E552 VanDerWaalsContact C-N 3.34Å; E550-E552 PolarHBondContact O-N 3.31Å; E550-K553 PolarHBondContact O-N 3.21Å; E550-K553 IonicContact OE1-NZ 2.64Å; E550-K553 PolarHBondContact OE1-NZ 2.99Å; E550-K554 VanDerWaalsContact O-CG 3.25Å; E550-K554 WeakPolarHBondContact O-CG 3.28Å; E550-K554 PolarHBondContact O-N 3.21Å; E550-K554 VanDerWaalsContact O-N 3.1Å
551	L	95.1	Very high	94.8	Very high	28 Å²	28	34.8 Å²	34.8	15%	0.147	20%	0.2	C	C	.	.	H	α-helix	trans	-64.5	-39.4	175.8	-69.8	178.6	0	0	0	111.9	T549 K554 G555 L613 E617 Q620 I624	T549-L551 VanDerWaalsContact C-N 3.28Å; T549-L551 PolarHBondContact O-N 3.49Å; L551-K554 PolarHBondContact O-N 2.95Å; L551-G555 PolarHBondContact O-N 2.7Å; L551-L613 HydrophobicContact CD2-CD1 3.95Å; L551-L613 HydrophobicContact CD2-CD2 4.18Å; L551-E617 HydrophobicContact CD1-CB 4.24Å; L551-E617 HydrophobicContact CD1-CG 4.16Å; L551-E617 HydrophobicContact CD2-CB 4.18Å; L551-Q620 HydrophobicContact CD1-CB 4.47Å; L551-I624 HydrophobicContact CB-CD1 4.49Å
552	E	96.4	Very high	94.9	Very high	11 Å²	11	34.4 Å²	34.4	5%	0.051	20%	0.198	C	C	.	.	H	α-helix	trans	-69.1	-42.6	177.6	-69.9	165.7	131.1	0	0	112.2	F548 T549 E550 K554 G555 L556 I624 R661	F548-E552 HydrophobicContact CB-CB 4.45Å; T549-E552 WeakPolarHBondContact CB-OE2 3.28Å; T549-E552 WeakPolarHBondContact CG2-OE2 3.1Å; T549-E552 PolarHBondContact N-OE2 3.12Å; T549-E552 PolarHBondContact O-N 3.06Å; T549-E552 VanDerWaalsContact OG1-CD 3.29Å; T549-E552 VanDerWaalsContact OG1-CG 3.26Å; T549-E552 WeakPolarHBondContact OG1-CG 3.46Å; T549-E552 PolarHBondContact OG1-N 2.78Å; T549-E552 PolarHBondContact OG1-OE2 3.31Å; E550-E552 VanDerWaalsContact C-N 3.34Å; E550-E552 PolarHBondContact O-N 3.31Å; E552-K554 VanDerWaalsContact C-N 3.26Å; E552-K554 PolarHBondContact O-N 3.05Å; E552-G555 PolarHBondContact O-N 2.87Å; E552-L556 HydrophobicContact CB-CD1 4.42Å; E552-L556 VanDerWaalsContact O-CB 3.26Å; E552-L556 WeakPolarHBondContact O-CB 3.46Å; E552-L556 WeakPolarHBondContact O-CG 3.27Å; E552-L556 PolarHBondContact O-N 2.85Å; E552-I624 HydrophobicContact CG-CD1 3.7Å; E552-I624 HydrophobicContact CG-CG1 4.48Å; E552-R661 VanDerWaalsContact CD-NH2 3.26Å; E552-R661 IonicContact OE1-CZ 3.2Å; E552-R661 VanDerWaalsContact OE1-CZ 3.24Å; E552-R661 IonicContact OE1-NE 2.7Å; E552-R661 PolarHBondContact OE1-NE 3.41Å; E552-R661 IonicContact OE1-NH2 2.84Å; E552-R661 PolarHBondContact OE1-NH2 2.99Å; E552-R661 VanDerWaalsContact OE1-NH2 3.08Å; E552-R661 IonicContact OE2-CZ 3Å; E552-R661 IonicContact OE2-NE 2.98Å; E552-R661 IonicContact OE2-NH2 2.78Å; E552-R661 PolarHBondContact OE2-NH2 2.7Å
553	K	96.6	Very high	95.1	Very high	42 Å²	42	30.8 Å²	30.8	18%	0.183	18%	0.181	C	C	.	.	H	α-helix	trans	-57.1	-44	174.6	-66.7	175.7	-172.3	170.6	0	111.2	L541 F548 T549 E550 L557	L541-K553 HydrophobicContact CD1-CB 4.49Å; L541-K553 HydrophobicContact CD1-CG 4.4Å; L541-K553 HydrophobicContact CD2-CG 4.4Å; F548-K553 HydrophobicContact CB-CG 4.18Å; T549-K553 WeakPolarHBondContact O-CG 3.44Å; T549-K553 PolarHBondContact O-N 3.01Å; E550-K553 PolarHBondContact O-N 3.21Å; E550-K553 IonicContact OE1-NZ 2.64Å; E550-K553 PolarHBondContact OE1-NZ 2.99Å; K553-L557 WeakPolarHBondContact O-CG 3.33Å; K553-L557 PolarHBondContact O-N 3.09Å
554	K	96.4	Very high	95.4	Very high	23 Å²	23	27.1 Å²	27.1	10%	0.1	17%	0.165	C	C	.	.	H	α-helix	trans	-61.5	-50.7	175.8	-70.7	-179.8	-171.7	-164.7	0	111.4	C498 S502 F503 E550 L551 E552 V558 F610 V621	C498-K554 HydrophobicContact CB-CG 4.27Å; S502-K554 PolarHBondContact O-NZ 3.43Å; S502-K554 VanDerWaalsContact OG-CE 3.24Å; S502-K554 WeakPolarHBondContact OG-CE 3.44Å; S502-K554 PolarHBondContact OG-NZ 3.41Å; F503-K554 HydrophobicContact CE2-CD 4.29Å; F503-K554 HydrophobicContact CE2-CG 3.89Å; F503-K554 HydrophobicContact CZ-CB 3.95Å; F503-K554 HydrophobicContact CZ-CD 3.9Å; F503-K554 HydrophobicContact CZ-CG 3.6Å; E550-K554 VanDerWaalsContact O-CG 3.25Å; E550-K554 WeakPolarHBondContact O-CG 3.28Å; E550-K554 PolarHBondContact O-N 3.21Å; E550-K554 VanDerWaalsContact O-N 3.1Å; L551-K554 PolarHBondContact O-N 2.95Å; E552-K554 VanDerWaalsContact C-N 3.26Å; E552-K554 PolarHBondContact O-N 3.05Å; K554-V558 WeakPolarHBondContact O-CB 3.36Å; K554-V558 VanDerWaalsContact O-CG2 3.3Å; K554-V558 WeakPolarHBondContact O-CG2 3.49Å; K554-V558 PolarHBondContact O-N 3.37Å; K554-F610 HydrophobicContact CB-CE1 4.22Å; K554-V621 HydrophobicContact CB-CG2 4.43Å
555	G	97.3	Very high	95.7	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-63.8	-45.4	-178.7	0	0	0	0	0	113	L551 E552 V558 A559 I625	L551-G555 PolarHBondContact O-N 2.7Å; E552-G555 PolarHBondContact O-N 2.87Å; G555-V558 PolarHBondContact O-N 2.92Å; G555-A559 WeakPolarHBondContact O-CB 3.29Å; G555-A559 PolarHBondContact O-N 3.31Å; G555-I625 WeakPolarHBondContact O-CG1 3.33Å
556	L	98.4	Very high	96.2	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-66.3	-43.3	-177.3	-69.3	170.3	0	0	0	112.7	M537 L541 F548 E552 V558 A559 C560 A628 I665 M669	M537-L556 HydrophobicContact CE-CB 4.23Å; M537-L556 HydrophobicContact CE-CD2 4.17Å; M537-L556 HydrophobicContact CG-CB 4.15Å; M537-L556 HydrophobicContact SD-CB 4.1Å; M537-L556 HydrophobicContact SD-CD1 4.22Å; L541-L556 HydrophobicContact CD2-CD1 4.39Å; F548-L556 HydrophobicContact CD1-CD1 4.3Å; E552-L556 HydrophobicContact CB-CD1 4.42Å; E552-L556 VanDerWaalsContact O-CB 3.26Å; E552-L556 WeakPolarHBondContact O-CB 3.46Å; E552-L556 WeakPolarHBondContact O-CG 3.27Å; E552-L556 PolarHBondContact O-N 2.85Å; L556-V558 VanDerWaalsContact C-N 3.35Å; L556-A559 PolarHBondContact O-N 3.12Å; L556-C560 WeakPolarHBondContact O-CB 3.39Å; L556-C560 PolarHBondContact O-N 2.97Å; L556-C560 PolarHBondContact O-SG 2.96Å; L556-A628 HydrophobicContact CD2-CB 4.29Å; L556-I665 HydrophobicContact CD2-CG1 4.34Å; L556-I665 HydrophobicContact CD2-CG2 3.62Å; L556-M669 HydrophobicContact CD2-CG 4.45Å; L556-M669 HydrophobicContact CD2-SD 4.15Å
557	L	98.3	Very high	96.7	Very high	1 Å²	1	18.1 Å²	18.1	1%	0.005	9%	0.092	C	C	.	.	H	α-helix	trans	-65	-40.7	177.3	-72	173.2	0	0	0	111.7	V494 M537 F538 L541 K553 L561	V494-L557 HydrophobicContact CG2-CD1 4.31Å; M537-L557 HydrophobicContact CB-CD2 4.46Å; M537-L557 HydrophobicContact CG-CD2 4.23Å; F538-L557 HydrophobicContact CB-CD2 4.02Å; L541-L557 HydrophobicContact CD1-CD2 4.36Å; L541-L557 HydrophobicContact CD1-CG 4.23Å; K553-L557 WeakPolarHBondContact O-CG 3.33Å; K553-L557 PolarHBondContact O-N 3.09Å; L557-L561 PolarHBondContact O-N 3.46Å; L557-L561 VanDerWaalsContact O-N 3.16Å
558	V	98.1	Very high	96.7	Very high	2 Å²	2	19.6 Å²	19.6	1%	0.012	9%	0.093	C	C	.	.	H	α-helix	trans	-68.7	-41.8	176.4	171.4	0	0	0	0	111.1	F511 K554 G555 L556 L561 C562 I609 F610 I625	F511-V558 HydrophobicContact CE1-CG1 4.16Å; F511-V558 HydrophobicContact CE1-CG2 4.49Å; F511-V558 HydrophobicContact CZ-CG1 3.77Å; K554-V558 WeakPolarHBondContact O-CB 3.36Å; K554-V558 VanDerWaalsContact O-CG2 3.3Å; K554-V558 WeakPolarHBondContact O-CG2 3.49Å; K554-V558 PolarHBondContact O-N 3.37Å; G555-V558 PolarHBondContact O-N 2.92Å; L556-V558 VanDerWaalsContact C-N 3.35Å; V558-L561 PolarHBondContact O-N 3.08Å; V558-C562 WeakPolarHBondContact O-CB 3.37Å; V558-C562 PolarHBondContact O-N 3.45Å; V558-C562 VanDerWaalsContact O-N 3.11Å; V558-C562 PolarHBondContact O-SG 3.42Å; V558-C562 VanDerWaalsContact O-SG 3.34Å; V558-I609 HydrophobicContact CG2-CD1 3.68Å; V558-F610 HydrophobicContact CB-CZ 4.33Å; V558-F610 HydrophobicContact CG1-CZ 4.31Å; V558-F610 HydrophobicContact CG2-CZ 3.95Å; V558-I625 HydrophobicContact CB-CD1 4.26Å; V558-I625 HydrophobicContact CG1-CD1 3.84Å; V558-I625 HydrophobicContact CG1-CG1 4.38Å
559	A	98.6	Very high	96.6	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-59.6	-48.2	175.2	0	0	0	0	0	111.6	G555 L556 L561 C562 H563 I625 A628 I629 M669	G555-A559 WeakPolarHBondContact O-CB 3.29Å; G555-A559 PolarHBondContact O-N 3.31Å; L556-A559 PolarHBondContact O-N 3.12Å; A559-L561 VanDerWaalsContact C-N 3.3Å; A559-L561 PolarHBondContact O-N 3.31Å; A559-C562 CarbonylContact O-C 3.53Å; A559-C562 PolarHBondContact O-N 3.34Å; A559-H563 WeakPolarHBondContact O-CB 3.25Å; A559-H563 PolarHBondContact O-N 3.16Å; A559-I625 HydrophobicContact CB-CG2 4.29Å; A559-A628 HydrophobicContact CB-CB 3.56Å; A559-I629 HydrophobicContact CB-CG1 4.05Å; A559-M669 HydrophobicContact CB-CE 4.28Å
560	C	98.7	Very high	96.4	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-57.8	-42.3	177.2	-71.9	0	0	0	0	112.4	V533 A534 M537 L556 C562 H563	V533-C560 HydrophobicContact CG1-CB 3.91Å; A534-C560 HydrophobicContact CB-CB 3.94Å; M537-C560 HydrophobicContact CB-CB 4.49Å; M537-C560 WeakPolarHBondContact CB-SG 3.27Å; L556-C560 WeakPolarHBondContact O-CB 3.39Å; L556-C560 PolarHBondContact O-N 2.97Å; L556-C560 PolarHBondContact O-SG 2.96Å; C560-C562 PolarHBondContact O-N 3.5Å; C560-H563 PolarHBondContact O-ND1 3.2Å
561	L	98.6	Very high	96.3	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-67.8	-26.5	178.7	-163.1	70.7	0	0	0	112.9	F490 F511 T512 V515 Y519 W527 V531 A534 L557 V558 A559	F490-L561 HydrophobicContact CD1-CD2 3.79Å; F490-L561 HydrophobicContact CD2-CB 4.42Å; F490-L561 HydrophobicContact CD2-CD1 3.62Å; F490-L561 HydrophobicContact CD2-CD2 4.04Å; F490-L561 HydrophobicContact CD2-CG 4.22Å; F490-L561 HydrophobicContact CE1-CD2 3.55Å; F490-L561 HydrophobicContact CE2-CB 3.79Å; F490-L561 HydrophobicContact CE2-CD1 3.88Å; F490-L561 HydrophobicContact CE2-CD2 3.82Å; F490-L561 HydrophobicContact CE2-CG 4.02Å; F490-L561 HydrophobicContact CG-CD1 4.04Å; F490-L561 HydrophobicContact CG-CD2 4.03Å; F490-L561 HydrophobicContact CZ-CB 4.03Å; F490-L561 HydrophobicContact CZ-CD1 4.5Å; F490-L561 HydrophobicContact CZ-CD2 3.57Å; F490-L561 HydrophobicContact CZ-CG 4.21Å; F511-L561 HydrophobicContact CE1-CD2 4.4Å; T512-L561 HydrophobicContact CG2-CD2 4.5Å; V515-L561 HydrophobicContact CB-CD2 4.37Å; V515-L561 HydrophobicContact CG1-CD2 3.96Å; V515-L561 HydrophobicContact CG1-CG 3.98Å; Y519-L561 VanDerWaalsContact CE2-O 3.24Å; Y519-L561 WeakPolarHBondContact CE2-O 3.31Å; Y519-L561 PolarHBondContact OH-O 3.09Å; W527-L561 HydrophobicContact CE3-CD1 4.45Å; W527-L561 HydrophobicContact CH2-CD1 3.46Å; W527-L561 VanDerWaalsContact CH2-CD1 3.46Å; W527-L561 HydrophobicContact CH2-CD2 3.93Å; W527-L561 HydrophobicContact CH2-CG 3.96Å; W527-L561 HydrophobicContact CZ3-CD1 3.38Å; W527-L561 HydrophobicContact CZ3-CD2 4.04Å; W527-L561 HydrophobicContact CZ3-CG 3.68Å; V531-L561 HydrophobicContact CG2-CD1 4.04Å; A534-L561 HydrophobicContact CB-CD1 4.28Å; L557-L561 PolarHBondContact O-N 3.46Å; L557-L561 VanDerWaalsContact O-N 3.16Å; V558-L561 PolarHBondContact O-N 3.08Å; A559-L561 VanDerWaalsContact C-N 3.3Å; A559-L561 PolarHBondContact O-N 3.31Å
562	C	98.5	Very high	96	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-109.6	-6.3	-170.5	-66.8	0	0	0	0	114.8	V558 A559 C560 D564 L565 T599 I629	V558-C562 WeakPolarHBondContact O-CB 3.37Å; V558-C562 PolarHBondContact O-N 3.45Å; V558-C562 VanDerWaalsContact O-N 3.11Å; V558-C562 PolarHBondContact O-SG 3.42Å; V558-C562 VanDerWaalsContact O-SG 3.34Å; A559-C562 CarbonylContact O-C 3.53Å; A559-C562 PolarHBondContact O-N 3.34Å; C560-C562 PolarHBondContact O-N 3.5Å; C562-D564 PolarHBondContact O-N 3.42Å; C562-L565 HydrophobicContact CB-CD1 3.69Å; C562-L565 HydrophobicContact CB-CG 4.25Å; C562-L565 WeakPolarHBondContact O-CB 3.24Å; C562-L565 PolarHBondContact O-N 2.87Å; C562-L565 VanDerWaalsContact O-N 3.11Å; C562-T599 HydrophobicContact CB-CG2 4.02Å; C562-T599 VanDerWaalsContact CB-OG1 3.24Å; C562-T599 WeakPolarHBondContact CB-OG1 3.33Å; C562-I629 HydrophobicContact CB-CD1 4.26Å
563	H	98.4	Very high	95.6	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-20.1	-167.3	77.7	-72.7	0	0	0	114.9	H529 A559 C560 H595 I629 T632 D673	H529-H563 AromaticContact CD2-CE1 3.8Å; H529-H563 AromaticContact CD2-NE2 3.84Å; H529-H563 AromaticContact NE2-CE1 3.52Å; H529-H563 AromaticContact NE2-NE2 3.24Å; H529-H563 PolarHBondContact NE2-NE2 3.15Å; A559-H563 WeakPolarHBondContact O-CB 3.25Å; A559-H563 PolarHBondContact O-N 3.16Å; C560-H563 PolarHBondContact O-ND1 3.2Å; H563-H595 WeakPolarHBondContact O-CB 3.4Å; H563-H595 PolarHBondContact O-CD2 3.25Å; H563-I629 HydrophobicContact CB-CG1 4.19Å; H563-I629 HydrophobicContact CB-CG2 4.5Å; H563-T632 HydrophobicContact CB-CG2 4.07Å; H563-D673 IonicContact NE2-OD1 3.94Å; H563-D673 PolarHBondContact NE2-OD1 3.13Å
564	D	98.4	Very high	95.3	Very high	8 Å²	8	20.5 Å²	20.5	4%	0.043	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.3	20.3	-177.7	-84.8	-20.5	0	0	0	113.3	Y519 H525 H529 C562 D566 H567 H595	Y519-D564 VanDerWaalsContact CE1-C 3.5Å; Y519-D564 HydrophobicContact CE1-CB 3.66Å; Y519-D564 VanDerWaalsContact CE1-O 3.28Å; Y519-D564 WeakPolarHBondContact CE1-O 3.42Å; Y519-D564 PolarHBondContact OH-N 3.35Å; H525-D564 IonicContact CD2-OD2 3.03Å; H525-D564 PolarHBondContact CD2-OD2 3.48Å; H525-D564 VanDerWaalsContact CD2-OD2 3.29Å; H525-D564 IonicContact CG-OD2 2.71Å; H529-D564 IonicContact CD2-OD2 3.78Å; H529-D564 PolarHBondContact CD2-OD2 2.92Å; H529-D564 IonicContact NE2-OD2 3.75Å; H529-D564 PolarHBondContact NE2-OD2 2.88Å; C562-D564 PolarHBondContact O-N 3.42Å; D564-D566 PolarHBondContact O-N 3.43Å; D564-H567 HydrophobicContact CB-CB 4.32Å; D564-H567 VanDerWaalsContact O-CB 3.26Å; D564-H567 WeakPolarHBondContact O-CB 3.4Å; D564-H567 PolarHBondContact O-N 2.75Å; D564-H595 IonicContact OD1-NE2 2.71Å
565	L	97.1	Very high	94.9	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	130.7	-178.7	-91.1	174.2	0	0	0	112.7	V515 N518 Y519 C562 H567 H595 Q598 I602	V515-L565 HydrophobicContact CG1-CD1 4.47Å; V515-L565 HydrophobicContact CG1-CD2 3.95Å; V515-L565 HydrophobicContact CG1-CG 4.38Å; V515-L565 WeakPolarHBondContact O-CD2 3.19Å; N518-L565 HydrophobicContact CB-CD2 3.7Å; Y519-L565 HydrophobicContact CD2-CD2 3.77Å; Y519-L565 HydrophobicContact CE2-CD2 3.66Å; Y519-L565 HydrophobicContact CE2-CG 3.96Å; C562-L565 HydrophobicContact CB-CD1 3.69Å; C562-L565 HydrophobicContact CB-CG 4.25Å; C562-L565 WeakPolarHBondContact O-CB 3.24Å; C562-L565 PolarHBondContact O-N 2.87Å; C562-L565 VanDerWaalsContact O-N 3.11Å; L565-H567 PolarHBondContact O-N 2.89Å; L565-H595 PolarHBondContact N-ND1 2.86Å; L565-H595 PolarHBondContact O-CE1 2.84Å; L565-H595 VanDerWaalsContact O-CE1 3.31Å; L565-H595 PolarHBondContact O-ND1 2.52Å; L565-Q598 HydrophobicContact CB-CB 4.06Å; L565-Q598 HydrophobicContact CD1-CB 4.33Å; L565-I602 HydrophobicContact CD1-CD1 3.95Å; L565-I602 HydrophobicContact CD2-CD1 4.42Å
566	D	96.1	Very high	94.4	Very high	17 Å²	17	24.3 Å²	24.3	9%	0.091	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.4	19.9	-174.8	-164.6	52.3	0	0	0	114.8	N518 R520 D564 R568 H594 Q598	N518-D566 PolarHBondContact O-N 2.91Å; N518-D566 VanDerWaalsContact O-N 3.07Å; R520-D566 IonicContact CZ-OD1 3.68Å; R520-D566 IonicContact NE-OD1 2.62Å; R520-D566 PolarHBondContact NE-OD1 2.97Å; R520-D566 IonicContact NH2-OD1 2.69Å; R520-D566 PolarHBondContact NH2-OD1 3.41Å; R520-D566 IonicContact NH2-OD2 3.1Å; D564-D566 PolarHBondContact O-N 3.43Å; D566-R568 VanDerWaalsContact O-CG 3.29Å; D566-R568 WeakPolarHBondContact O-CG 3.45Å; D566-R568 PolarHBondContact O-N 3.39Å; D566-R568 IonicContact OD1-NH2 3.08Å; D566-R568 IonicContact OD2-CZ 2.72Å; D566-R568 IonicContact OD2-NE 2.92Å; D566-R568 PolarHBondContact OD2-NE 3.35Å; D566-R568 IonicContact OD2-NH2 3.48Å; D566-R568 PolarHBondContact OD2-NH2 3.48Å; D566-H594 IonicContact OD2-CD2 2.94Å; D566-H594 IonicContact OD2-CE1 2.67Å; D566-H594 IonicContact OD2-NE2 3.72Å; D566-H594 PolarHBondContact OD2-NE2 2.92Å; D566-Q598 HydrophobicContact CB-CG 4.21Å
567	H	95.9	Very high	93.8	Very high	17 Å²	17	29.8 Å²	29.8	8%	0.079	15%	0.145	C	C	.	.			trans	-59.1	129.1	175.9	-166	-82.9	0	0	0	112.1	R520 H525 D564 L565 G569 H595 E694	R520-H567 WeakPolarHBondContact CB-O 3.31Å; R520-H567 VanDerWaalsContact CD-O 3.27Å; R520-H567 WeakPolarHBondContact CD-O 3.49Å; H525-H567 HydrophobicContact CB-CB 3.84Å; H525-H567 WeakPolarHBondContact CB-ND1 3.38Å; H525-H567 AromaticContact CE1-CE1 3.93Å; H525-H567 AromaticContact CG-CE1 3.74Å; H525-H567 AromaticContact CG-CG 3.96Å; H525-H567 AromaticContact CG-ND1 3.63Å; H525-H567 AromaticContact ND1-CE1 3.46Å; H525-H567 PolarHBondContact ND1-CE1 3.23Å; H525-H567 AromaticContact ND1-ND1 3.68Å; D564-H567 HydrophobicContact CB-CB 4.32Å; D564-H567 VanDerWaalsContact O-CB 3.26Å; D564-H567 WeakPolarHBondContact O-CB 3.4Å; D564-H567 PolarHBondContact O-N 2.75Å; L565-H567 PolarHBondContact O-N 2.89Å; H567-G569 PolarHBondContact ND1-N 3.12Å; H567-G569 VanDerWaalsContact ND1-N 3.18Å; H567-H595 AromaticContact CD2-CE1 4Å; H567-H595 AromaticContact CD2-NE2 3.73Å; H567-E694 IonicContact CE1-OE1 3.95Å; H567-E694 PolarHBondContact CE1-OE1 3.39Å; H567-E694 IonicContact ND1-OE1 3.66Å
568	R	92.6	Very high	93.2	Very high	86 Å²	86	32.9 Å²	32.9	33%	0.325	16%	0.159	S	C	.	.			trans	-99.9	-3.7	-166.3	-59.9	-172.4	175.7	-131.4	-8.1	115	D566 Y570	D566-R568 VanDerWaalsContact O-CG 3.29Å; D566-R568 WeakPolarHBondContact O-CG 3.45Å; D566-R568 PolarHBondContact O-N 3.39Å; D566-R568 IonicContact OD1-NH2 3.08Å; D566-R568 IonicContact OD2-CZ 2.72Å; D566-R568 IonicContact OD2-NE 2.92Å; D566-R568 PolarHBondContact OD2-NE 3.35Å; D566-R568 IonicContact OD2-NH2 3.48Å; D566-R568 PolarHBondContact OD2-NH2 3.48Å; R568-Y570 HydrophobicContact CB-CD2 3.96Å
569	G	91.1	Very high	92.4	Very high	9 Å²	9	39.8 Å²	39.8	9%	0.093	20%	0.196	C	C	.	.	S	Bend	trans	85.7	21.3	-174.2	0	0	0	0	0	114.3	H567 E694	H567-G569 PolarHBondContact ND1-N 3.12Å; H567-G569 VanDerWaalsContact ND1-N 3.18Å; G569-E694 VanDerWaalsContact CA-OE1 3.29Å; G569-E694 WeakPolarHBondContact CA-OE1 3.41Å
570	Y	90.7	Very high	91.9	Very high	68 Å²	68	42.3 Å²	42.3	27%	0.267	21%	0.207	S	C	.	.			trans	-131.1	138.4	-178.4	-62.2	-67	0	0	0	111.2	R568 Y574 E698 E701	R568-Y570 HydrophobicContact CB-CD2 3.96Å; Y570-Y574 AromaticContact CD1-CD1 3.56Å; Y570-Y574 HydrophobicContact CD1-CD1 3.56Å; Y570-Y574 HydrophobicContact CD1-CD2 4.26Å; Y570-Y574 AromaticContact CD1-CE1 3.53Å; Y570-Y574 HydrophobicContact CD1-CE1 3.53Å; Y570-Y574 HydrophobicContact CD1-CE2 4.24Å; Y570-Y574 AromaticContact CD1-CG 3.95Å; Y570-Y574 HydrophobicContact CD1-CG 3.95Å; Y570-Y574 AromaticContact CD1-CZ 3.89Å; Y570-Y574 HydrophobicContact CE1-CD1 4.27Å; Y570-Y574 AromaticContact CE1-CE1 3.76Å; Y570-Y574 HydrophobicContact CE1-CE1 3.76Å; Y570-Y574 HydrophobicContact CE1-CE2 4.33Å; Y570-Y574 AromaticContact CE1-CZ 3.81Å; Y570-Y574 AromaticContact CG-CD1 3.78Å; Y570-Y574 HydrophobicContact CG-CD1 3.78Å; Y570-Y574 AromaticContact CG-CE1 3.96Å; Y570-Y574 HydrophobicContact CG-CE1 3.96Å; Y570-Y574 HydrophobicContact CG-CG 4.42Å; Y570-E698 VanDerWaalsContact CA-OE2 3.3Å; Y570-E698 WeakPolarHBondContact CA-OE2 3.34Å; Y570-E698 HydrophobicContact CD1-CB 4.36Å; Y570-E698 HydrophobicContact CD1-CG 4.13Å; Y570-E701 HydrophobicContact CE1-CG 4.39Å
571	S	90.7	Very high	91.3	Very high	33 Å²	33	46.7 Å²	46.7	23%	0.231	24%	0.236	C	C	.	.			trans	-69.6	155.4	175.2	69.8	0	0	0	0	113.2	T573 Y574 L575 E698	S571-T573 PolarHBondContact O-N 3.05Å; S571-Y574 WeakPolarHBondContact O-CB 3.48Å; S571-Y574 PolarHBondContact O-N 3.06Å; S571-Y574 PolarHBondContact OG-N 2.85Å; S571-L575 PolarHBondContact O-N 3.23Å; S571-L575 VanDerWaalsContact O-N 3.13Å; S571-E698 PolarHBondContact N-OE2 2.89Å; S571-E698 PolarHBondContact OG-OE1 3.36Å; S571-E698 PolarHBondContact OG-OE2 3.43Å
572	N	90.1	Very high	90.6	Very high	30 Å²	30	47.3 Å²	47.3	16%	0.16	24%	0.239	C	C	.	.	H	α-helix	trans	-53.4	-39	172.6	-81.5	-30.3	0	0	0	111.9	Y574 L575 Q576 T590 M591 E592	N572-Y574 PolarHBondContact O-N 3.26Å; N572-L575 PolarHBondContact O-N 2.9Å; N572-Q576 WeakPolarHBondContact O-CG 3.38Å; N572-Q576 PolarHBondContact O-N 3.03Å; N572-Q576 VanDerWaalsContact O-N 3.13Å; N572-T590 PolarHBondContact OD1-N 3.27Å; N572-M591 WeakPolarHBondContact OD1-CB 3.36Å; N572-M591 WeakPolarHBondContact OD1-CG 3.38Å; N572-M591 PolarHBondContact OD1-N 3.48Å; N572-E592 PolarHBondContact ND2-OE1 3.25Å; N572-E592 PolarHBondContact ND2-OE2 3.01Å
573	T	88.1	Confident	90	Very high	102 Å²	102	48.6 Å²	48.6	63%	0.626	25%	0.25	S	C	*	.	H	α-helix	trans	-62.2	-41.3	176.7	-52.4	0	0	0	0	112.1	S571 K577	S571-T573 PolarHBondContact O-N 3.05Å; T573-K577 WeakPolarHBondContact O-CB 3.22Å; T573-K577 PolarHBondContact O-N 3.2Å
574	Y	88.9	Confident	89.2	Confident	35 Å²	35	53 Å²	53	14%	0.137	29%	0.286	C	S	.	.	H	α-helix	trans	-62.6	-48.5	176.1	-176.2	-84	0	0	0	111	Y570 S571 N572 Q576 K577 F578 E698 M702	Y570-Y574 AromaticContact CD1-CD1 3.56Å; Y570-Y574 HydrophobicContact CD1-CD1 3.56Å; Y570-Y574 HydrophobicContact CD1-CD2 4.26Å; Y570-Y574 AromaticContact CD1-CE1 3.53Å; Y570-Y574 HydrophobicContact CD1-CE1 3.53Å; Y570-Y574 HydrophobicContact CD1-CE2 4.24Å; Y570-Y574 AromaticContact CD1-CG 3.95Å; Y570-Y574 HydrophobicContact CD1-CG 3.95Å; Y570-Y574 AromaticContact CD1-CZ 3.89Å; Y570-Y574 HydrophobicContact CE1-CD1 4.27Å; Y570-Y574 AromaticContact CE1-CE1 3.76Å; Y570-Y574 HydrophobicContact CE1-CE1 3.76Å; Y570-Y574 HydrophobicContact CE1-CE2 4.33Å; Y570-Y574 AromaticContact CE1-CZ 3.81Å; Y570-Y574 AromaticContact CG-CD1 3.78Å; Y570-Y574 HydrophobicContact CG-CD1 3.78Å; Y570-Y574 AromaticContact CG-CE1 3.96Å; Y570-Y574 HydrophobicContact CG-CE1 3.96Å; Y570-Y574 HydrophobicContact CG-CG 4.42Å; S571-Y574 WeakPolarHBondContact O-CB 3.48Å; S571-Y574 PolarHBondContact O-N 3.06Å; S571-Y574 PolarHBondContact OG-N 2.85Å; N572-Y574 PolarHBondContact O-N 3.26Å; Y574-Q576 VanDerWaalsContact C-N 3.31Å; Y574-Q576 PolarHBondContact O-N 3.4Å; Y574-K577 PolarHBondContact O-N 2.77Å; Y574-K577 VanDerWaalsContact O-N 3.14Å; Y574-F578 AromaticContact CD1-CD2 3.85Å; Y574-F578 HydrophobicContact CD1-CD2 3.85Å; Y574-F578 HydrophobicContact CD1-CE2 4.48Å; Y574-F578 AromaticContact CD2-CD2 3.69Å; Y574-F578 HydrophobicContact CD2-CD2 3.69Å; Y574-F578 AromaticContact CD2-CE2 3.47Å; Y574-F578 HydrophobicContact CD2-CE2 3.47Å; Y574-F578 VanDerWaalsContact CD2-CE2 3.47Å; Y574-F578 AromaticContact CE1-CD2 3.71Å; Y574-F578 HydrophobicContact CE1-CD2 3.71Å; Y574-F578 HydrophobicContact CE1-CE2 4.37Å; Y574-F578 HydrophobicContact CE1-CG 4.49Å; Y574-F578 AromaticContact CE2-CD2 3.53Å; Y574-F578 HydrophobicContact CE2-CD2 3.53Å; Y574-F578 AromaticContact CE2-CE2 3.32Å; Y574-F578 HydrophobicContact CE2-CE2 3.32Å; Y574-F578 HydrophobicContact CE2-CZ 4.35Å; Y574-F578 AromaticContact CG-CD2 3.83Å; Y574-F578 HydrophobicContact CG-CD2 3.83Å; Y574-F578 HydrophobicContact CG-CE2 4.05Å; Y574-F578 AromaticContact CZ-CD2 3.53Å; Y574-F578 AromaticContact CZ-CE2 3.8Å; Y574-F578 VanDerWaalsContact O-CD2 3.22Å; Y574-F578 WeakPolarHBondContact O-CD2 3.43Å; Y574-F578 PolarHBondContact O-N 2.83Å; Y574-F578 VanDerWaalsContact O-N 3.14Å; Y574-E698 HydrophobicContact CD2-CG 3.65Å; Y574-E698 HydrophobicContact CE2-CG 4.2Å; Y574-E698 HydrophobicContact CG-CG 4.22Å; Y574-M702 HydrophobicContact CD2-CG 4.09Å; Y574-M702 HydrophobicContact CD2-SD 4.47Å; Y574-M702 HydrophobicContact CE2-CG 3.91Å
575	L	88.9	Confident	88.4	Confident	1 Å²	1	58.5 Å²	58.5	1%	0.005	32%	0.315	C	S	.	.	H	α-helix	trans	-59.5	-40.7	-178.7	-62	177.1	0	0	0	112.7	S571 N572 D579 H580 T590 M591	S571-L575 PolarHBondContact O-N 3.23Å; S571-L575 VanDerWaalsContact O-N 3.13Å; N572-L575 PolarHBondContact O-N 2.9Å; L575-D579 PolarHBondContact O-N 3.01Å; L575-H580 HydrophobicContact CB-CB 4.14Å; L575-H580 HydrophobicContact CD2-CB 3.82Å; L575-H580 PolarHBondContact O-N 2.92Å; L575-T590 HydrophobicContact CD1-CG2 4.45Å; L575-M591 HydrophobicContact CD1-CG 3.5Å; L575-M591 HydrophobicContact CD1-SD 3.41Å; L575-M591 WeakPolarHBondContact CD1-SD 3.45Å
576	Q	86.1	Confident	87.9	Confident	102 Å²	102	61.1 Å²	61.1	48%	0.477	33%	0.325	S	S	.	.	H	α-helix	trans	-67.7	-41.7	176.1	-70.7	176.3	-4.1	0	0	112.1	N572 Y574 F578 A583	N572-Q576 WeakPolarHBondContact O-CG 3.38Å; N572-Q576 PolarHBondContact O-N 3.03Å; N572-Q576 VanDerWaalsContact O-N 3.13Å; Y574-Q576 VanDerWaalsContact C-N 3.31Å; Y574-Q576 PolarHBondContact O-N 3.4Å; Q576-F578 VanDerWaalsContact C-N 3.28Å; Q576-F578 PolarHBondContact O-N 3.39Å; Q576-A583 HydrophobicContact CG-CB 4.38Å
577	K	86.8	Confident	87	Confident	115 Å²	115	65.5 Å²	65.5	50%	0.5	36%	0.357	S	S	.	.	H	α-helix	trans	-67.8	-27.9	-176.6	-171.4	173.3	-177	178.8	0	113.4	T573 Y574	T573-K577 WeakPolarHBondContact O-CB 3.22Å; T573-K577 PolarHBondContact O-N 3.2Å; Y574-K577 PolarHBondContact O-N 2.77Å; Y574-K577 VanDerWaalsContact O-N 3.14Å
578	F	85.4	Confident	86.5	Confident	66 Å²	66	68.9 Å²	68.9	29%	0.289	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.8	22	-176.6	-61.7	-65.5	0	0	0	113.8	Y574 Q576 H580 I705 I707	Y574-F578 AromaticContact CD1-CD2 3.85Å; Y574-F578 HydrophobicContact CD1-CD2 3.85Å; Y574-F578 HydrophobicContact CD1-CE2 4.48Å; Y574-F578 AromaticContact CD2-CD2 3.69Å; Y574-F578 HydrophobicContact CD2-CD2 3.69Å; Y574-F578 AromaticContact CD2-CE2 3.47Å; Y574-F578 HydrophobicContact CD2-CE2 3.47Å; Y574-F578 VanDerWaalsContact CD2-CE2 3.47Å; Y574-F578 AromaticContact CE1-CD2 3.71Å; Y574-F578 HydrophobicContact CE1-CD2 3.71Å; Y574-F578 HydrophobicContact CE1-CE2 4.37Å; Y574-F578 HydrophobicContact CE1-CG 4.49Å; Y574-F578 AromaticContact CE2-CD2 3.53Å; Y574-F578 HydrophobicContact CE2-CD2 3.53Å; Y574-F578 AromaticContact CE2-CE2 3.32Å; Y574-F578 HydrophobicContact CE2-CE2 3.32Å; Y574-F578 HydrophobicContact CE2-CZ 4.35Å; Y574-F578 AromaticContact CG-CD2 3.83Å; Y574-F578 HydrophobicContact CG-CD2 3.83Å; Y574-F578 HydrophobicContact CG-CE2 4.05Å; Y574-F578 AromaticContact CZ-CD2 3.53Å; Y574-F578 AromaticContact CZ-CE2 3.8Å; Y574-F578 VanDerWaalsContact O-CD2 3.22Å; Y574-F578 WeakPolarHBondContact O-CD2 3.43Å; Y574-F578 PolarHBondContact O-N 2.83Å; Y574-F578 VanDerWaalsContact O-N 3.14Å; Q576-F578 VanDerWaalsContact C-N 3.28Å; Q576-F578 PolarHBondContact O-N 3.39Å; F578-H580 PolarHBondContact O-N 3.39Å; F578-H580 VanDerWaalsContact O-N 3.07Å; F578-I705 HydrophobicContact CD1-CD1 3.97Å; F578-I705 HydrophobicContact CE1-CD1 3.11Å; F578-I705 HydrophobicContact CE1-CG1 4.44Å; F578-I705 HydrophobicContact CE2-CD1 4.26Å; F578-I705 HydrophobicContact CZ-CD1 3.3Å; F578-I707 HydrophobicContact CE1-CD1 3.78Å; F578-I707 HydrophobicContact CZ-CD1 3.58Å
579	D	81.6	Confident	86.4	Confident	147 Å²	147	65.3 Å²	65.3	79%	0.786	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.5	40.3	176.8	-67.2	-39.6	0	0	0	113.1	L575	L575-D579 PolarHBondContact O-N 3.01Å
580	H	87.1	Confident	86.5	Confident	52 Å²	52	65 Å²	65	24%	0.241	36%	0.363	C	S	.	.			trans	-62.3	140.4	179.3	-172.6	-90.2	0	0	0	109.3	L575 F578 L582 A583	L575-H580 HydrophobicContact CB-CB 4.14Å; L575-H580 HydrophobicContact CD2-CB 3.82Å; L575-H580 PolarHBondContact O-N 2.92Å; F578-H580 PolarHBondContact O-N 3.39Å; F578-H580 VanDerWaalsContact O-N 3.07Å; H580-L582 PolarHBondContact ND1-N 2.95Å; H580-L582 PolarHBondContact O-N 2.79Å; H580-A583 WeakPolarHBondContact O-CA 3.21Å; H580-A583 WeakPolarHBondContact O-CB 3.2Å; H580-A583 PolarHBondContact O-N 3.46Å
581	P	86.6	Confident	86.7	Confident	92 Å²	92	61.9 Å²	61.9	60%	0.597	35%	0.351	S	S	*	.	H	α-helix	trans	-53.3	-30.4	-176.6	-30.1	35.6	0	0	0	115	A583 A584 L585	P581-A583 VanDerWaalsContact C-N 3.32Å; P581-A583 PolarHBondContact O-N 3.23Å; P581-A584 WeakPolarHBondContact O-CB 3.06Å; P581-A584 PolarHBondContact O-N 3.22Å; P581-L585 PolarHBondContact O-N 3.23Å
582	L	84	Confident	87	Confident	14 Å²	14	61.4 Å²	61.4	7%	0.073	35%	0.345	C	S	.	.	H	α-helix	trans	-61.7	-37.1	173.4	-68.1	173.8	0	0	0	112.8	H580 A584 L585 Y586 T590 M591 H594	H580-L582 PolarHBondContact ND1-N 2.95Å; H580-L582 PolarHBondContact O-N 2.79Å; L582-A584 PolarHBondContact O-N 2.69Å; L582-L585 HydrophobicContact CD2-CD1 4.3Å; L582-L585 PolarHBondContact O-N 2.84Å; L582-L585 VanDerWaalsContact O-N 3.08Å; L582-Y586 HydrophobicContact CD2-CE2 4.41Å; L582-Y586 PolarHBondContact O-N 2.99Å; L582-Y586 VanDerWaalsContact O-N 3.1Å; L582-T590 HydrophobicContact CB-CG2 3.91Å; L582-T590 WeakPolarHBondContact O-CG2 3.4Å; L582-M591 HydrophobicContact CD1-SD 3.91Å; L582-H594 HydrophobicContact CD2-CB 4.41Å
583	A	85.4	Confident	87.2	Confident	27 Å²	27	62.3 Å²	62.3	22%	0.223	35%	0.349	C	S	.	.	H	α-helix	trans	-68.2	-23.8	177.3	0	0	0	0	0	112.4	Q576 H580 P581	Q576-A583 HydrophobicContact CG-CB 4.38Å; H580-A583 WeakPolarHBondContact O-CA 3.21Å; H580-A583 WeakPolarHBondContact O-CB 3.2Å; H580-A583 PolarHBondContact O-N 3.46Å; P581-A583 VanDerWaalsContact C-N 3.32Å; P581-A583 PolarHBondContact O-N 3.23Å
584	A	82.4	Confident	87.6	Confident	93 Å²	93	58 Å²	58	77%	0.769	32%	0.322	S	S	*	.	H	α-helix	trans	-79.5	-23	171.7	0	0	0	0	0	112.9	P581 L582	P581-A584 WeakPolarHBondContact O-CB 3.06Å; P581-A584 PolarHBondContact O-N 3.22Å; L582-A584 PolarHBondContact O-N 2.69Å
585	L	80.4	Confident	88	Confident	123 Å²	123	56.4 Å²	56.4	64%	0.644	32%	0.315	S	S	*	.	H	α-helix	trans	-83.1	-36.7	178.7	-69.5	171.8	0	0	0	112.5	P581 L582	P581-L585 PolarHBondContact O-N 3.23Å; L582-L585 HydrophobicContact CD2-CD1 4.3Å; L582-L585 PolarHBondContact O-N 2.84Å; L582-L585 VanDerWaalsContact O-N 3.08Å
586	Y	86.7	Confident	88.4	Confident	55 Å²	55	57.9 Å²	57.9	22%	0.216	32%	0.322	C	S	.	.			trans	-129.9	130.6	-175	-49.6	-68.3	0	0	0	111.5	L582 T590 Q593 H594 S597	L582-Y586 HydrophobicContact CD2-CE2 4.41Å; L582-Y586 PolarHBondContact O-N 2.99Å; L582-Y586 VanDerWaalsContact O-N 3.1Å; Y586-T590 HydrophobicContact CD2-CG2 4.23Å; Y586-T590 WeakPolarHBondContact CD2-O 3.4Å; Y586-T590 PolarHBondContact O-OG1 2.85Å; Y586-Q593 HydrophobicContact CD1-CB 3.63Å; Y586-Q593 HydrophobicContact CD1-CG 4.3Å; Y586-Q593 HydrophobicContact CD2-CB 4.17Å; Y586-Q593 HydrophobicContact CE1-CB 3.95Å; Y586-Q593 HydrophobicContact CE2-CB 4.46Å; Y586-Q593 HydrophobicContact CG-CB 3.75Å; Y586-Q593 HydrophobicContact CG-CG 4.46Å; Y586-H594 HydrophobicContact CD2-CB 4.47Å; Y586-H594 HydrophobicContact CE2-CB 3.86Å; Y586-S597 WeakPolarHBondContact OH-CB 3.24Å
587	S	77.2	Confident	88.9	Confident	108 Å²	108	55 Å²	55	76%	0.755	31%	0.313	S	S	*	.	S	Bend	trans	-86.1	-28.1	-176.3	53	0	0	0	0	114.8
588	T	85.8	Confident	89.3	Confident	88 Å²	88	51.8 Å²	51.8	54%	0.54	30%	0.299	S	S	.	.	S	Bend	trans	-137.7	142.5	-178.6	56.5	0	0	0	0	110.2	T590	T588-T590 VanDerWaalsContact C-N 3.3Å; T588-T590 PolarHBondContact O-N 3.12Å
589	S	91.1	Very high	89.8	Confident	12 Å²	12	48.6 Å²	48.6	8%	0.084	29%	0.286	C	S	.	.	S	Bend	trans	48.9	53.8	-179.2	-48	0	0	0	0	110.9	M591 E592 Q593 D633	S589-M591 VanDerWaalsContact C-N 3.34Å; S589-M591 PolarHBondContact O-N 3.25Å; S589-E592 WeakPolarHBondContact CA-OE2 3.43Å; S589-E592 WeakPolarHBondContact CB-OE2 3.36Å; S589-E592 PolarHBondContact O-N 3.49Å; S589-Q593 VanDerWaalsContact O-CG 3.29Å; S589-Q593 WeakPolarHBondContact O-CG 3.29Å; S589-Q593 PolarHBondContact O-N 2.9Å; S589-D633 WeakPolarHBondContact CB-OD2 3.32Å; S589-D633 PolarHBondContact OG-OD2 3.31Å
590	T	92.2	Very high	90.5	Very high	1 Å²	1	42.9 Å²	42.9	1%	0.006	26%	0.256	C	S	.	.	H	α-helix	trans	-57.1	-45.1	-165.3	-62.1	0	0	0	0	112.1	N572 L575 L582 Y586 T588 H594	N572-T590 PolarHBondContact OD1-N 3.27Å; L575-T590 HydrophobicContact CD1-CG2 4.45Å; L582-T590 HydrophobicContact CB-CG2 3.91Å; L582-T590 WeakPolarHBondContact O-CG2 3.4Å; Y586-T590 HydrophobicContact CD2-CG2 4.23Å; Y586-T590 WeakPolarHBondContact CD2-O 3.4Å; Y586-T590 PolarHBondContact O-OG1 2.85Å; T588-T590 VanDerWaalsContact C-N 3.3Å; T588-T590 PolarHBondContact O-N 3.12Å; T590-H594 PolarHBondContact O-N 3.15Å
591	M	94.4	Very high	90.7	Very high	4 Å²	4	42.5 Å²	42.5	2%	0.02	26%	0.259	C	S	.	.	H	α-helix	trans	-71.1	-41.9	177.4	-75.5	-57.9	-59.3	0	0	111.9	N572 L575 L582 S589 Q593 H594 H595	N572-M591 WeakPolarHBondContact OD1-CB 3.36Å; N572-M591 WeakPolarHBondContact OD1-CG 3.38Å; N572-M591 PolarHBondContact OD1-N 3.48Å; L575-M591 HydrophobicContact CD1-CG 3.5Å; L575-M591 HydrophobicContact CD1-SD 3.41Å; L575-M591 WeakPolarHBondContact CD1-SD 3.45Å; L582-M591 HydrophobicContact CD1-SD 3.91Å; S589-M591 VanDerWaalsContact C-N 3.34Å; S589-M591 PolarHBondContact O-N 3.25Å; M591-Q593 VanDerWaalsContact C-N 3.33Å; M591-Q593 PolarHBondContact O-N 2.96Å; M591-H594 CarbonylContact O-C 3.54Å; M591-H594 WeakPolarHBondContact O-CA 3.45Å; M591-H594 VanDerWaalsContact O-CB 3.29Å; M591-H594 WeakPolarHBondContact O-CB 3.39Å; M591-H594 PolarHBondContact O-N 2.97Å; M591-H595 VanDerWaalsContact C-CD2 3.41Å; M591-H595 WeakPolarHBondContact CE-CE1 3.29Å; M591-H595 PolarHBondContact O-CD2 2.96Å; M591-H595 PolarHBondContact O-N 2.75Å; M591-H595 PolarHBondContact O-NE2 2.93Å
592	E	96.9	Very high	91	Very high	22 Å²	22	38.3 Å²	38.3	10%	0.103	23%	0.232	C	C	.	.	H	α-helix	trans	-65.2	-37.9	-178.7	-60.9	72.3	-158.7	0	0	111.8	N572 S589 H594 H595 F596 I629 I630 D633	N572-E592 PolarHBondContact ND2-OE1 3.25Å; N572-E592 PolarHBondContact ND2-OE2 3.01Å; S589-E592 WeakPolarHBondContact CA-OE2 3.43Å; S589-E592 WeakPolarHBondContact CB-OE2 3.36Å; S589-E592 PolarHBondContact O-N 3.49Å; E592-H594 VanDerWaalsContact C-N 3.33Å; E592-H595 PolarHBondContact O-N 2.96Å; E592-F596 PolarHBondContact O-N 3.31Å; E592-I629 HydrophobicContact CB-CG2 4.43Å; E592-I629 WeakPolarHBondContact O-CG2 3.24Å; E592-I630 HydrophobicContact CB-CD1 3.79Å; E592-D633 HydrophobicContact CG-CB 4.02Å
593	Q	95.6	Very high	91.4	Very high	50 Å²	50	37.7 Å²	37.7	23%	0.234	23%	0.228	C	C	.	.	H	α-helix	trans	-63.7	-39.6	171.3	-67.8	-73.9	-1.8	0	0	111.7	Y586 S589 M591 F596 S597 I630	Y586-Q593 HydrophobicContact CD1-CB 3.63Å; Y586-Q593 HydrophobicContact CD1-CG 4.3Å; Y586-Q593 HydrophobicContact CD2-CB 4.17Å; Y586-Q593 HydrophobicContact CE1-CB 3.95Å; Y586-Q593 HydrophobicContact CE2-CB 4.46Å; Y586-Q593 HydrophobicContact CG-CB 3.75Å; Y586-Q593 HydrophobicContact CG-CG 4.46Å; S589-Q593 VanDerWaalsContact O-CG 3.29Å; S589-Q593 WeakPolarHBondContact O-CG 3.29Å; S589-Q593 PolarHBondContact O-N 2.9Å; M591-Q593 VanDerWaalsContact C-N 3.33Å; M591-Q593 PolarHBondContact O-N 2.96Å; Q593-F596 PolarHBondContact O-N 3.06Å; Q593-S597 WeakPolarHBondContact O-CB 3.37Å; Q593-S597 PolarHBondContact O-N 3.45Å; Q593-I630 HydrophobicContact CB-CD1 4.37Å; Q593-I630 VanDerWaalsContact CD-CD1 3.44Å; Q593-I630 HydrophobicContact CG-CD1 3.72Å
594	H	96.1	Very high	91.5	Very high	12 Å²	12	43.2 Å²	43.2	6%	0.056	25%	0.249	C	C	.	.	H	α-helix	trans	-64.5	-45.6	175	179.1	64.7	0	0	0	111.5	D566 L582 Y586 T590 M591 E592 F596 S597 Q598	D566-H594 IonicContact OD2-CD2 2.94Å; D566-H594 IonicContact OD2-CE1 2.67Å; D566-H594 IonicContact OD2-NE2 3.72Å; D566-H594 PolarHBondContact OD2-NE2 2.92Å; L582-H594 HydrophobicContact CD2-CB 4.41Å; Y586-H594 HydrophobicContact CD2-CB 4.47Å; Y586-H594 HydrophobicContact CE2-CB 3.86Å; T590-H594 PolarHBondContact O-N 3.15Å; M591-H594 CarbonylContact O-C 3.54Å; M591-H594 WeakPolarHBondContact O-CA 3.45Å; M591-H594 VanDerWaalsContact O-CB 3.29Å; M591-H594 WeakPolarHBondContact O-CB 3.39Å; M591-H594 PolarHBondContact O-N 2.97Å; E592-H594 VanDerWaalsContact C-N 3.33Å; H594-F596 VanDerWaalsContact C-N 3.33Å; H594-F596 PolarHBondContact O-N 3.46Å; H594-S597 WeakPolarHBondContact O-CB 3.22Å; H594-S597 PolarHBondContact O-N 3.35Å; H594-S597 VanDerWaalsContact O-N 3.09Å; H594-Q598 PolarHBondContact CE1-NE2 3.03Å; H594-Q598 VanDerWaalsContact CE1-NE2 3.31Å; H594-Q598 WeakPolarHBondContact O-CG 3.41Å; H594-Q598 PolarHBondContact O-N 3.36Å
595	H	97.5	Very high	91.2	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-57.2	-44.7	176.1	-58.8	-39.1	0	0	0	111.8	H563 D564 L565 H567 M591 E592 Q598 T599 I629	H563-H595 WeakPolarHBondContact O-CB 3.4Å; H563-H595 PolarHBondContact O-CD2 3.25Å; D564-H595 IonicContact OD1-NE2 2.71Å; L565-H595 PolarHBondContact N-ND1 2.86Å; L565-H595 PolarHBondContact O-CE1 2.84Å; L565-H595 VanDerWaalsContact O-CE1 3.31Å; L565-H595 PolarHBondContact O-ND1 2.52Å; H567-H595 AromaticContact CD2-CE1 4Å; H567-H595 AromaticContact CD2-NE2 3.73Å; M591-H595 VanDerWaalsContact C-CD2 3.41Å; M591-H595 WeakPolarHBondContact CE-CE1 3.29Å; M591-H595 PolarHBondContact O-CD2 2.96Å; M591-H595 PolarHBondContact O-N 2.75Å; M591-H595 PolarHBondContact O-NE2 2.93Å; E592-H595 PolarHBondContact O-N 2.96Å; H595-Q598 PolarHBondContact O-N 3.3Å; H595-T599 PolarHBondContact O-N 3.12Å; H595-T599 PolarHBondContact O-OG1 2.9Å; H595-I629 HydrophobicContact CB-CG2 3.92Å
596	F	97.6	Very high	90.6	Very high	33 Å²	33	40.3 Å²	40.3	15%	0.145	23%	0.233	C	C	.	.	H	α-helix	trans	-63.3	-44.2	173.3	176.2	-110	0	0	0	112.2	E592 Q593 H594 Q598 T599 V600 I625 R626 I629	E592-F596 PolarHBondContact O-N 3.31Å; Q593-F596 PolarHBondContact O-N 3.06Å; H594-F596 VanDerWaalsContact C-N 3.33Å; H594-F596 PolarHBondContact O-N 3.46Å; F596-Q598 VanDerWaalsContact C-N 3.33Å; F596-Q598 PolarHBondContact O-N 3Å; F596-T599 VanDerWaalsContact O-CB 3.27Å; F596-T599 WeakPolarHBondContact O-CB 3.36Å; F596-T599 PolarHBondContact O-N 3.46Å; F596-T599 VanDerWaalsContact O-N 3.12Å; F596-V600 HydrophobicContact CD1-CG2 4.43Å; F596-V600 HydrophobicContact CD2-CG2 4.37Å; F596-V600 HydrophobicContact CE1-CG2 3.91Å; F596-V600 HydrophobicContact CE2-CG2 3.83Å; F596-V600 HydrophobicContact CZ-CG2 3.58Å; F596-V600 PolarHBondContact O-N 3.41Å; F596-I625 HydrophobicContact CD2-CG2 4.13Å; F596-I625 HydrophobicContact CE2-CG2 4.21Å; F596-R626 HydrophobicContact CD1-CB 4.35Å; F596-R626 HydrophobicContact CD1-CG 3.75Å; F596-R626 HydrophobicContact CD2-CB 3.81Å; F596-R626 HydrophobicContact CD2-CG 4.05Å; F596-R626 HydrophobicContact CE1-CB 4.05Å; F596-R626 HydrophobicContact CE1-CG 3.65Å; F596-R626 HydrophobicContact CE2-CB 3.47Å; F596-R626 VanDerWaalsContact CE2-CB 3.47Å; F596-R626 HydrophobicContact CE2-CG 3.97Å; F596-R626 HydrophobicContact CG-CB 4.24Å; F596-R626 HydrophobicContact CG-CG 3.94Å; F596-R626 HydrophobicContact CZ-CB 3.59Å; F596-R626 HydrophobicContact CZ-CG 3.76Å; F596-I629 HydrophobicContact CB-CD1 4.45Å; F596-I629 HydrophobicContact CB-CG2 4.38Å; F596-I629 HydrophobicContact CD2-CD1 4.47Å
597	S	96.1	Very high	90.4	Very high	42 Å²	42	38.2 Å²	38.2	29%	0.294	23%	0.225	S	C	.	.	H	α-helix	trans	-59.5	-43.3	176.9	-170.1	0	0	0	0	111.9	Y586 Q593 H594 T599 V600 S601	Y586-S597 WeakPolarHBondContact OH-CB 3.24Å; Q593-S597 WeakPolarHBondContact O-CB 3.37Å; Q593-S597 PolarHBondContact O-N 3.45Å; H594-S597 WeakPolarHBondContact O-CB 3.22Å; H594-S597 PolarHBondContact O-N 3.35Å; H594-S597 VanDerWaalsContact O-N 3.09Å; S597-T599 VanDerWaalsContact C-N 3.31Å; S597-T599 PolarHBondContact O-N 3.09Å; S597-V600 PolarHBondContact O-N 2.97Å; S597-S601 PolarHBondContact O-N 2.76Å; S597-S601 PolarHBondContact O-OG 2.68Å
598	Q	94.9	Very high	91	Very high	46 Å²	46	35 Å²	35	22%	0.215	20%	0.2	C	C	.	.	H	α-helix	trans	-61.1	-40.9	174.9	-68.1	-54.8	-60	0	0	111.5	L565 D566 H594 H595 F596 V600 S601 I602	L565-Q598 HydrophobicContact CB-CB 4.06Å; L565-Q598 HydrophobicContact CD1-CB 4.33Å; D566-Q598 HydrophobicContact CB-CG 4.21Å; H594-Q598 PolarHBondContact CE1-NE2 3.03Å; H594-Q598 VanDerWaalsContact CE1-NE2 3.31Å; H594-Q598 WeakPolarHBondContact O-CG 3.41Å; H594-Q598 PolarHBondContact O-N 3.36Å; H595-Q598 PolarHBondContact O-N 3.3Å; F596-Q598 VanDerWaalsContact C-N 3.33Å; F596-Q598 PolarHBondContact O-N 3Å; Q598-V600 PolarHBondContact O-N 3.47Å; Q598-S601 PolarHBondContact O-N 2.85Å; Q598-I602 WeakPolarHBondContact O-CG1 3.44Å; Q598-I602 PolarHBondContact O-N 3.46Å
599	T	96.4	Very high	91.4	Very high	0 Å²	0	31 Å²	31	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-58.3	-47.3	175.8	-53.9	0	0	0	0	111.4	C562 H595 F596 S597 I602 L603 I625	C562-T599 HydrophobicContact CB-CG2 4.02Å; C562-T599 VanDerWaalsContact CB-OG1 3.24Å; C562-T599 WeakPolarHBondContact CB-OG1 3.33Å; H595-T599 PolarHBondContact O-N 3.12Å; H595-T599 PolarHBondContact O-OG1 2.9Å; F596-T599 VanDerWaalsContact O-CB 3.27Å; F596-T599 WeakPolarHBondContact O-CB 3.36Å; F596-T599 PolarHBondContact O-N 3.46Å; F596-T599 VanDerWaalsContact O-N 3.12Å; S597-T599 VanDerWaalsContact C-N 3.31Å; S597-T599 PolarHBondContact O-N 3.09Å; T599-I602 PolarHBondContact O-N 3.45Å; T599-L603 HydrophobicContact CG2-CD1 4.24Å; T599-L603 WeakPolarHBondContact O-CG 3.29Å; T599-L603 PolarHBondContact O-N 3.41Å; T599-L603 VanDerWaalsContact O-N 3.09Å; T599-I625 HydrophobicContact CG2-CG2 4.21Å
600	V	95.2	Very high	91.6	Very high	27 Å²	27	30.7 Å²	30.7	16%	0.164	17%	0.172	C	C	.	.	H	α-helix	trans	-64.8	-41.4	178.9	174.9	0	0	0	0	111.4	F596 S597 Q598 I602 L603 Q604	F596-V600 HydrophobicContact CD1-CG2 4.43Å; F596-V600 HydrophobicContact CD2-CG2 4.37Å; F596-V600 HydrophobicContact CE1-CG2 3.91Å; F596-V600 HydrophobicContact CE2-CG2 3.83Å; F596-V600 HydrophobicContact CZ-CG2 3.58Å; F596-V600 PolarHBondContact O-N 3.41Å; S597-V600 PolarHBondContact O-N 2.97Å; Q598-V600 PolarHBondContact O-N 3.47Å; V600-I602 PolarHBondContact O-N 2.88Å; V600-L603 PolarHBondContact O-N 3.48Å; V600-Q604 HydrophobicContact CG1-CG 4.32Å; V600-Q604 WeakPolarHBondContact O-CG 3.25Å; V600-Q604 PolarHBondContact O-N 3.03Å
601	S	92.1	Very high	91.5	Very high	43 Å²	43	33 Å²	33	30%	0.301	19%	0.188	S	C	.	.	H	α-helix	trans	-58.1	-48.3	175.6	-65.6	0	0	0	0	111.8	S597 Q598 L603 Q604 E605	S597-S601 PolarHBondContact O-N 2.76Å; S597-S601 PolarHBondContact O-OG 2.68Å; Q598-S601 PolarHBondContact O-N 2.85Å; S601-L603 VanDerWaalsContact C-N 3.3Å; S601-L603 PolarHBondContact O-N 3.45Å; S601-Q604 PolarHBondContact O-N 3Å; S601-Q604 VanDerWaalsContact O-N 3.1Å; S601-E605 WeakPolarHBondContact O-CG 3.15Å; S601-E605 PolarHBondContact O-N 3.2Å
602	I	93.1	Very high	91.4	Very high	5 Å²	5	37.9 Å²	37.9	3%	0.026	21%	0.214	C	C	.	.	H	α-helix	trans	-61.2	-39.6	177.8	-65.7	171.4	0	0	0	111.3	F511 V515 N518 L565 Q598 T599 V600 Q604	F511-I602 HydrophobicContact CD2-CG2 3.86Å; F511-I602 HydrophobicContact CE2-CG2 4.05Å; V515-I602 HydrophobicContact CG2-CD1 4.17Å; V515-I602 HydrophobicContact CG2-CG2 4.5Å; N518-I602 HydrophobicContact CB-CD1 4.23Å; L565-I602 HydrophobicContact CD1-CD1 3.95Å; L565-I602 HydrophobicContact CD2-CD1 4.42Å; Q598-I602 WeakPolarHBondContact O-CG1 3.44Å; Q598-I602 PolarHBondContact O-N 3.46Å; T599-I602 PolarHBondContact O-N 3.45Å; V600-I602 PolarHBondContact O-N 2.88Å; I602-Q604 VanDerWaalsContact C-N 3.32Å; I602-Q604 PolarHBondContact O-N 3.15Å
603	L	92.7	Very high	91.2	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.005	22%	0.217	C	C	.	.	H	α-helix	trans	-65.1	-34.5	176.6	-71.1	169.5	0	0	0	112.3	F511 T599 V600 S601 N608 I609 F610 L622	F511-L603 HydrophobicContact CD2-CD2 3.94Å; F511-L603 HydrophobicContact CE2-CD2 3.69Å; F511-L603 HydrophobicContact CE2-CG 4.09Å; T599-L603 HydrophobicContact CG2-CD1 4.24Å; T599-L603 WeakPolarHBondContact O-CG 3.29Å; T599-L603 PolarHBondContact O-N 3.41Å; T599-L603 VanDerWaalsContact O-N 3.09Å; V600-L603 PolarHBondContact O-N 3.48Å; S601-L603 VanDerWaalsContact C-N 3.3Å; S601-L603 PolarHBondContact O-N 3.45Å; L603-N608 VanDerWaalsContact O-CA 3.32Å; L603-N608 WeakPolarHBondContact O-CA 3.34Å; L603-N608 VanDerWaalsContact O-CB 3.25Å; L603-N608 WeakPolarHBondContact O-CB 3.42Å; L603-N608 PolarHBondContact O-N 3.42Å; L603-N608 VanDerWaalsContact O-N 3.17Å; L603-I609 HydrophobicContact CD2-CD1 4.44Å; L603-I609 HydrophobicContact CD2-CG1 3.81Å; L603-F610 HydrophobicContact CD1-CD2 4.31Å; L603-F610 HydrophobicContact CD1-CE2 4.1Å; L603-F610 HydrophobicContact CD2-CD2 4.06Å; L603-F610 HydrophobicContact CD2-CE2 4.07Å; L603-L622 HydrophobicContact CD1-CD2 3.79Å
604	Q	86.5	Confident	91.2	Very high	142 Å²	142	40 Å²	40	66%	0.664	23%	0.228	S	C	*	.	H	α-helix	trans	-79.9	-26.9	-179.1	-71.4	177.9	-6	0	0	113.6	V600 S601 I602 G606	V600-Q604 HydrophobicContact CG1-CG 4.32Å; V600-Q604 WeakPolarHBondContact O-CG 3.25Å; V600-Q604 PolarHBondContact O-N 3.03Å; S601-Q604 PolarHBondContact O-N 3Å; S601-Q604 VanDerWaalsContact O-N 3.1Å; I602-Q604 VanDerWaalsContact C-N 3.32Å; I602-Q604 PolarHBondContact O-N 3.15Å; Q604-G606 PolarHBondContact O-N 3Å
605	E	77.1	Confident	91.1	Very high	95 Å²	95	44.7 Å²	44.7	44%	0.444	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	39.4	-179.3	-71.1	-178.8	168.3	0	0	113.9	I450 S601 H607	I450-E605 HydrophobicContact CD1-CB 4.35Å; S601-E605 WeakPolarHBondContact O-CG 3.15Å; S601-E605 PolarHBondContact O-N 3.2Å; E605-H607 VanDerWaalsContact C-N 3.32Å; E605-H607 PolarHBondContact O-N 2.93Å
606	G	68.4	Low	91.1	Very high	60 Å²	60	47.7 Å²	47.7	62%	0.619	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.6	7.9	175.7	0	0	0	0	0	115.2	Q604	Q604-G606 PolarHBondContact O-N 3Å
607	H	81.6	Confident	91	Very high	11 Å²	11	49.4 Å²	49.4	5%	0.051	29%	0.291	C	S	.	.			trans	-110.8	30.1	175.7	-52.5	-43.9	0	0	0	113.1	I450 F511 S514 E605 I609	I450-H607 WeakPolarHBondContact CG2-NE2 3.23Å; F511-H607 HydrophobicContact CB-CB 4.4Å; S514-H607 PolarHBondContact OG-CD2 3.43Å; S514-H607 PolarHBondContact OG-NE2 3.32Å; E605-H607 VanDerWaalsContact C-N 3.32Å; E605-H607 PolarHBondContact O-N 2.93Å; H607-I609 PolarHBondContact O-N 2.9Å
608	N	90.1	Very high	91	Very high	42 Å²	42	50 Å²	50	23%	0.225	29%	0.288	C	S	.	.			trans	-66.7	91.8	179.8	-170.5	-6.1	0	0	0	111.5	K507 L603 F610 S611 Y618	K507-N608 WeakPolarHBondContact CD-O 3.49Å; L603-N608 VanDerWaalsContact O-CA 3.32Å; L603-N608 WeakPolarHBondContact O-CA 3.34Å; L603-N608 VanDerWaalsContact O-CB 3.25Å; L603-N608 WeakPolarHBondContact O-CB 3.42Å; L603-N608 PolarHBondContact O-N 3.42Å; L603-N608 VanDerWaalsContact O-N 3.17Å; N608-F610 PolarHBondContact O-N 2.82Å; N608-F610 WeakPolarHBondContact OD1-CA 3.13Å; N608-F610 WeakPolarHBondContact OD1-CB 3.33Å; N608-F610 PolarHBondContact OD1-N 3.45Å; N608-S611 WeakPolarHBondContact O-CB 3.36Å; N608-S611 PolarHBondContact O-N 2.85Å; N608-S611 PolarHBondContact OD1-N 3.33Å; N608-Y618 WeakPolarHBondContact ND2-CE2 3.41Å; N608-Y618 WeakPolarHBondContact OD1-CE2 3.4Å
609	I	94.4	Very high	91	Very high	4 Å²	4	54.6 Å²	54.6	2%	0.021	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-18.4	176.5	58.5	173.8	0	0	0	112.8	F503 K507 F511 V558 L603 H607	F503-I609 HydrophobicContact CD1-CB 3.8Å; F503-I609 HydrophobicContact CD1-CD1 4.37Å; F503-I609 HydrophobicContact CD1-CG1 4.3Å; F503-I609 WeakPolarHBondContact CD1-O 3.36Å; F503-I609 HydrophobicContact CE1-CB 4.07Å; F503-I609 HydrophobicContact CE1-CD1 3.89Å; F503-I609 HydrophobicContact CE1-CG1 4.05Å; K507-I609 HydrophobicContact CB-CG2 4.2Å; K507-I609 WeakPolarHBondContact O-CG2 3.49Å; F511-I609 HydrophobicContact CB-CG2 3.42Å; F511-I609 VanDerWaalsContact CB-CG2 3.42Å; F511-I609 HydrophobicContact CD1-CD1 3.9Å; F511-I609 HydrophobicContact CD1-CG2 4.3Å; F511-I609 HydrophobicContact CD2-CD1 4.41Å; F511-I609 HydrophobicContact CD2-CG2 4.32Å; F511-I609 HydrophobicContact CE1-CD1 3.97Å; F511-I609 HydrophobicContact CE2-CD1 4.48Å; F511-I609 HydrophobicContact CG-CD1 4.13Å; F511-I609 HydrophobicContact CG-CG2 3.77Å; F511-I609 HydrophobicContact CZ-CD1 4.27Å; V558-I609 HydrophobicContact CG2-CD1 3.68Å; L603-I609 HydrophobicContact CD2-CD1 4.44Å; L603-I609 HydrophobicContact CD2-CG1 3.81Å; H607-I609 PolarHBondContact O-N 2.9Å
610	F	94.7	Very high	91	Very high	4 Å²	4	59.3 Å²	59.3	2%	0.018	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96	15.8	179.5	-54	-60.7	0	0	0	113.2	F503 K554 V558 L603 N608 N612 L613 Y618 V621 I625	F503-F610 AromaticContact CE1-CD1 3.86Å; F503-F610 HydrophobicContact CE1-CD1 3.86Å; F503-F610 AromaticContact CE1-CE1 3.64Å; F503-F610 HydrophobicContact CE1-CE1 3.64Å; F503-F610 HydrophobicContact CZ-CE1 4.03Å; K554-F610 HydrophobicContact CB-CE1 4.22Å; V558-F610 HydrophobicContact CB-CZ 4.33Å; V558-F610 HydrophobicContact CG1-CZ 4.31Å; V558-F610 HydrophobicContact CG2-CZ 3.95Å; L603-F610 HydrophobicContact CD1-CD2 4.31Å; L603-F610 HydrophobicContact CD1-CE2 4.1Å; L603-F610 HydrophobicContact CD2-CD2 4.06Å; L603-F610 HydrophobicContact CD2-CE2 4.07Å; N608-F610 PolarHBondContact O-N 2.82Å; N608-F610 WeakPolarHBondContact OD1-CA 3.13Å; N608-F610 WeakPolarHBondContact OD1-CB 3.33Å; N608-F610 PolarHBondContact OD1-N 3.45Å; F610-N612 PolarHBondContact O-N 3.28Å; F610-L613 HydrophobicContact CB-CD1 3.88Å; F610-L613 HydrophobicContact CB-CG 4.17Å; F610-L613 HydrophobicContact CD1-CD1 3.95Å; F610-L613 HydrophobicContact CG-CD1 4.21Å; F610-L613 WeakPolarHBondContact O-CB 3.49Å; F610-L613 PolarHBondContact O-N 2.94Å; F610-Y618 HydrophobicContact CB-CD2 3.64Å; F610-Y618 HydrophobicContact CB-CE2 3.77Å; F610-Y618 HydrophobicContact CD2-CE2 4.34Å; F610-V621 HydrophobicContact CD1-CG1 4.16Å; F610-V621 HydrophobicContact CD1-CG2 4.44Å; F610-V621 HydrophobicContact CD2-CG1 4.14Å; F610-V621 HydrophobicContact CE1-CG1 4.35Å; F610-V621 HydrophobicContact CE1-CG2 3.91Å; F610-V621 HydrophobicContact CE2-CG1 4.33Å; F610-V621 HydrophobicContact CG-CG1 4.05Å; F610-V621 HydrophobicContact CZ-CG1 4.43Å; F610-V621 HydrophobicContact CZ-CG2 3.98Å; F610-I625 HydrophobicContact CE2-CD1 3.71Å; F610-I625 HydrophobicContact CZ-CD1 3.81Å
611	S	90.9	Very high	91.1	Very high	49 Å²	49	58 Å²	58	34%	0.343	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-19.7	-177.8	65.4	0	0	0	0	115.2	K507 N608	K507-S611 PolarHBondContact NZ-OG 3.14Å; N608-S611 WeakPolarHBondContact O-CB 3.36Å; N608-S611 PolarHBondContact O-N 2.85Å; N608-S611 PolarHBondContact OD1-N 3.33Å
612	N	90.8	Very high	91.4	Very high	108 Å²	108	57.3 Å²	57.3	58%	0.578	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.8	-6.1	-179.2	-61.1	-9.7	0	0	0	112.8	F610	F610-N612 PolarHBondContact O-N 3.28Å
613	L	93.6	Very high	91.5	Very high	29 Å²	29	60.5 Å²	60.5	15%	0.152	33%	0.331	C	S	.	.	S	Bend	trans	-81.6	149.8	175.8	-59.7	-171.8	0	0	0	110.4	L551 F610 E617 V621	L551-L613 HydrophobicContact CD2-CD1 3.95Å; L551-L613 HydrophobicContact CD2-CD2 4.18Å; F610-L613 HydrophobicContact CB-CD1 3.88Å; F610-L613 HydrophobicContact CB-CG 4.17Å; F610-L613 HydrophobicContact CD1-CD1 3.95Å; F610-L613 HydrophobicContact CG-CD1 4.21Å; F610-L613 WeakPolarHBondContact O-CB 3.49Å; F610-L613 PolarHBondContact O-N 2.94Å; L613-E617 HydrophobicContact CB-CB 3.91Å; L613-E617 HydrophobicContact CD1-CB 4.28Å; L613-E617 HydrophobicContact CD2-CB 4.42Å; L613-E617 HydrophobicContact CG-CB 4.43Å; L613-V621 HydrophobicContact CD1-CB 4.37Å; L613-V621 HydrophobicContact CD1-CG1 3.8Å
614	N	95	Very high	91.8	Very high	87 Å²	87	61.7 Å²	61.7	47%	0.465	34%	0.337	S	S	.	.			trans	-74.8	168.3	168.5	71.5	59.3	0	0	0	111.1	S616 E617 Y618	N614-S616 VanDerWaalsContact C-N 3.28Å; N614-S616 PolarHBondContact O-N 2.9Å; N614-S616 WeakPolarHBondContact OD1-CB 3.48Å; N614-S616 PolarHBondContact OD1-N 3.2Å; N614-E617 PolarHBondContact N-OE2 2.9Å; N614-E617 WeakPolarHBondContact ND2-CG 3.48Å; N614-E617 PolarHBondContact ND2-OE2 2.8Å; N614-E617 PolarHBondContact O-N 3.35Å; N614-E617 PolarHBondContact OD1-N 2.81Å; N614-Y618 WeakPolarHBondContact O-CB 3.42Å; N614-Y618 PolarHBondContact O-N 2.96Å
615	S	94.8	Very high	92.3	Very high	110 Å²	110	55 Å²	55	77%	0.769	31%	0.305	S	S	*	.	H	α-helix	trans	-57.6	-36.5	-175.2	-50.9	0	0	0	0	114.1	E619	S615-E619 WeakPolarHBondContact O-CB 3.27Å; S615-E619 PolarHBondContact O-N 3.06Å
616	S	96.7	Very high	93.3	Very high	64 Å²	64	54 Å²	54	45%	0.448	30%	0.297	S	S	.	.	H	α-helix	trans	-72.2	-43.5	179.4	179.2	0	0	0	0	111.5	N614 Y618 E619 Q620	N614-S616 VanDerWaalsContact C-N 3.28Å; N614-S616 PolarHBondContact O-N 2.9Å; N614-S616 WeakPolarHBondContact OD1-CB 3.48Å; N614-S616 PolarHBondContact OD1-N 3.2Å; S616-Y618 VanDerWaalsContact C-N 3.31Å; S616-Y618 PolarHBondContact O-N 3.22Å; S616-E619 PolarHBondContact O-N 3Å; S616-Q620 WeakPolarHBondContact O-CB 3.42Å; S616-Q620 VanDerWaalsContact O-CG 3.24Å; S616-Q620 WeakPolarHBondContact O-CG 3.37Å; S616-Q620 PolarHBondContact O-N 3.28Å; S616-Q620 PolarHBondContact OG-NE2 2.97Å; S616-Q620 VanDerWaalsContact OG-NE2 3.12Å
617	E	96.3	Very high	94.7	Very high	68 Å²	68	54 Å²	54	32%	0.318	28%	0.281	S	S	.	.	H	α-helix	trans	-64.1	-37.9	174.9	-68.7	173.6	148.8	0	0	112	L551 L613 N614 Q620 V621	L551-E617 HydrophobicContact CD1-CB 4.24Å; L551-E617 HydrophobicContact CD1-CG 4.16Å; L551-E617 HydrophobicContact CD2-CB 4.18Å; L613-E617 HydrophobicContact CB-CB 3.91Å; L613-E617 HydrophobicContact CD1-CB 4.28Å; L613-E617 HydrophobicContact CD2-CB 4.42Å; L613-E617 HydrophobicContact CG-CB 4.43Å; N614-E617 PolarHBondContact N-OE2 2.9Å; N614-E617 WeakPolarHBondContact ND2-CG 3.48Å; N614-E617 PolarHBondContact ND2-OE2 2.8Å; N614-E617 PolarHBondContact O-N 3.35Å; N614-E617 PolarHBondContact OD1-N 2.81Å; E617-Q620 PolarHBondContact O-N 3.39Å; E617-V621 PolarHBondContact O-N 3.39Å
618	Y	95.6	Very high	95.4	Very high	56 Å²	56	53.5 Å²	53.5	22%	0.22	28%	0.278	C	S	.	.	H	α-helix	trans	-64.8	-44.3	176.9	-173.9	-96.2	0	0	0	111.8	N608 F610 N614 S616 V621 L622	N608-Y618 WeakPolarHBondContact ND2-CE2 3.41Å; N608-Y618 WeakPolarHBondContact OD1-CE2 3.4Å; F610-Y618 HydrophobicContact CB-CD2 3.64Å; F610-Y618 HydrophobicContact CB-CE2 3.77Å; F610-Y618 HydrophobicContact CD2-CE2 4.34Å; N614-Y618 WeakPolarHBondContact O-CB 3.42Å; N614-Y618 PolarHBondContact O-N 2.96Å; S616-Y618 VanDerWaalsContact C-N 3.31Å; S616-Y618 PolarHBondContact O-N 3.22Å; Y618-V621 WeakPolarHBondContact O-CG1 3.31Å; Y618-L622 HydrophobicContact CD1-CD1 3.86Å; Y618-L622 HydrophobicContact CD1-CG 4.43Å; Y618-L622 HydrophobicContact CE1-CD1 3.29Å; Y618-L622 HydrophobicContact CE1-CG 4.09Å; Y618-L622 WeakPolarHBondContact O-CB 3.42Å; Y618-L622 WeakPolarHBondContact O-CG 3.45Å; Y618-L622 PolarHBondContact O-N 3.48Å; Y618-L622 VanDerWaalsContact O-N 3.1Å
619	E	96.1	Very high	95.8	Very high	142 Å²	142	51.5 Å²	51.5	66%	0.664	27%	0.268	S	S	*	.	H	α-helix	trans	-62.5	-44.9	174.4	-174.5	175.9	-175.7	0	0	111.4	S615 S616 L622 E623	S615-E619 WeakPolarHBondContact O-CB 3.27Å; S615-E619 PolarHBondContact O-N 3.06Å; S616-E619 PolarHBondContact O-N 3Å; E619-L622 PolarHBondContact O-N 3.07Å; E619-E623 WeakPolarHBondContact O-CB 3.37Å; E619-E623 PolarHBondContact O-N 3.45Å
620	Q	96.4	Very high	96	Very high	98 Å²	98	52.2 Å²	52.2	46%	0.458	27%	0.271	S	S	.	.	H	α-helix	trans	-62.2	-45.4	178.5	-72.9	173.1	40.6	0	0	112.7	L551 S616 E617 E623 I624	L551-Q620 HydrophobicContact CD1-CB 4.47Å; S616-Q620 WeakPolarHBondContact O-CB 3.42Å; S616-Q620 VanDerWaalsContact O-CG 3.24Å; S616-Q620 WeakPolarHBondContact O-CG 3.37Å; S616-Q620 PolarHBondContact O-N 3.28Å; S616-Q620 PolarHBondContact OG-NE2 2.97Å; S616-Q620 VanDerWaalsContact OG-NE2 3.12Å; E617-Q620 PolarHBondContact O-N 3.39Å; Q620-E623 PolarHBondContact O-N 3.46Å; Q620-I624 WeakPolarHBondContact O-CD1 3.19Å; Q620-I624 VanDerWaalsContact O-CG1 3.31Å; Q620-I624 WeakPolarHBondContact O-CG1 3.49Å; Q620-I624 PolarHBondContact O-N 3.14Å
621	V	96.9	Very high	96	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-67.5	-37.4	179.8	74.7	0	0	0	0	111.7	K554 F610 L613 E617 Y618 E623 I624 I625	K554-V621 HydrophobicContact CB-CG2 4.43Å; F610-V621 HydrophobicContact CD1-CG1 4.16Å; F610-V621 HydrophobicContact CD1-CG2 4.44Å; F610-V621 HydrophobicContact CD2-CG1 4.14Å; F610-V621 HydrophobicContact CE1-CG1 4.35Å; F610-V621 HydrophobicContact CE1-CG2 3.91Å; F610-V621 HydrophobicContact CE2-CG1 4.33Å; F610-V621 HydrophobicContact CG-CG1 4.05Å; F610-V621 HydrophobicContact CZ-CG1 4.43Å; F610-V621 HydrophobicContact CZ-CG2 3.98Å; L613-V621 HydrophobicContact CD1-CB 4.37Å; L613-V621 HydrophobicContact CD1-CG1 3.8Å; E617-V621 PolarHBondContact O-N 3.39Å; Y618-V621 WeakPolarHBondContact O-CG1 3.31Å; V621-E623 VanDerWaalsContact C-N 3.33Å; V621-I624 PolarHBondContact O-N 3.47Å; V621-I625 HydrophobicContact CG2-CD1 4.33Å; V621-I625 VanDerWaalsContact O-CG1 3.27Å; V621-I625 WeakPolarHBondContact O-CG1 3.38Å; V621-I625 PolarHBondContact O-N 2.8Å
622	L	97.1	Very high	96.3	Very high	29 Å²	29	51.1 Å²	51.1	15%	0.152	27%	0.265	C	S	.	.	H	α-helix	trans	-64.7	-39	174.3	-76.1	-175.7	0	0	0	111.9	L603 Y618 E619 I625 R626	L603-L622 HydrophobicContact CD1-CD2 3.79Å; Y618-L622 HydrophobicContact CD1-CD1 3.86Å; Y618-L622 HydrophobicContact CD1-CG 4.43Å; Y618-L622 HydrophobicContact CE1-CD1 3.29Å; Y618-L622 HydrophobicContact CE1-CG 4.09Å; Y618-L622 WeakPolarHBondContact O-CB 3.42Å; Y618-L622 WeakPolarHBondContact O-CG 3.45Å; Y618-L622 PolarHBondContact O-N 3.48Å; Y618-L622 VanDerWaalsContact O-N 3.1Å; E619-L622 PolarHBondContact O-N 3.07Å; L622-I625 HydrophobicContact CD2-CD1 4.45Å; L622-I625 PolarHBondContact O-N 2.93Å; L622-R626 WeakPolarHBondContact O-CB 3.47Å; L622-R626 PolarHBondContact O-N 3.36Å
623	E	96.9	Very high	96.6	Very high	71 Å²	71	47 Å²	47	33%	0.332	24%	0.243	S	C	.	.	H	α-helix	trans	-66.9	-38.1	176.6	-177.6	62.2	-174.8	0	0	111.8	E619 Q620 V621 R626 K627	E619-E623 WeakPolarHBondContact O-CB 3.37Å; E619-E623 PolarHBondContact O-N 3.45Å; Q620-E623 PolarHBondContact O-N 3.46Å; V621-E623 VanDerWaalsContact C-N 3.33Å; E623-R626 PolarHBondContact O-N 2.83Å; E623-R626 IonicContact OE1-CZ 3.95Å; E623-R626 IonicContact OE1-NE 3.22Å; E623-R626 IonicContact OE1-NH2 3.28Å; E623-R626 PolarHBondContact OE1-NH2 3.47Å; E623-R626 IonicContact OE2-CZ 2.69Å; E623-R626 IonicContact OE2-NE 3.86Å; E623-R626 PolarHBondContact OE2-NE 2.84Å; E623-R626 IonicContact OE2-NH2 3.02Å; E623-R626 PolarHBondContact OE2-NH2 2.91Å; E623-K627 HydrophobicContact CG-CD 4.47Å; E623-K627 WeakPolarHBondContact O-CB 3.41Å; E623-K627 WeakPolarHBondContact O-CG 3.29Å; E623-K627 PolarHBondContact O-N 2.87Å; E623-K627 WeakPolarHBondContact OE1-CE 3.39Å; E623-K627 IonicContact OE1-NZ 2.77Å
624	I	97.4	Very high	96.6	Very high	27 Å²	27	48.6 Å²	48.6	14%	0.138	25%	0.251	C	S	.	.	H	α-helix	trans	-60.6	-48.3	171.7	-69	159.7	0	0	0	110.2	L551 E552 Q620 V621 R626 K627 A628	L551-I624 HydrophobicContact CB-CD1 4.49Å; E552-I624 HydrophobicContact CG-CD1 3.7Å; E552-I624 HydrophobicContact CG-CG1 4.48Å; Q620-I624 WeakPolarHBondContact O-CD1 3.19Å; Q620-I624 VanDerWaalsContact O-CG1 3.31Å; Q620-I624 WeakPolarHBondContact O-CG1 3.49Å; Q620-I624 PolarHBondContact O-N 3.14Å; V621-I624 PolarHBondContact O-N 3.47Å; I624-R626 VanDerWaalsContact C-N 3.34Å; I624-R626 PolarHBondContact O-N 3.16Å; I624-K627 PolarHBondContact O-N 2.92Å; I624-A628 WeakPolarHBondContact O-CB 3.37Å; I624-A628 PolarHBondContact O-N 2.77Å
625	I	98.3	Very high	96.5	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-59.7	-46.7	178.5	-68.2	162.4	0	0	0	110.4	G555 V558 A559 F596 T599 F610 V621 L622 A628 I629	G555-I625 WeakPolarHBondContact O-CG1 3.33Å; V558-I625 HydrophobicContact CB-CD1 4.26Å; V558-I625 HydrophobicContact CG1-CD1 3.84Å; V558-I625 HydrophobicContact CG1-CG1 4.38Å; A559-I625 HydrophobicContact CB-CG2 4.29Å; F596-I625 HydrophobicContact CD2-CG2 4.13Å; F596-I625 HydrophobicContact CE2-CG2 4.21Å; T599-I625 HydrophobicContact CG2-CG2 4.21Å; F610-I625 HydrophobicContact CE2-CD1 3.71Å; F610-I625 HydrophobicContact CZ-CD1 3.81Å; V621-I625 HydrophobicContact CG2-CD1 4.33Å; V621-I625 VanDerWaalsContact O-CG1 3.27Å; V621-I625 WeakPolarHBondContact O-CG1 3.38Å; V621-I625 PolarHBondContact O-N 2.8Å; L622-I625 HydrophobicContact CD2-CD1 4.45Å; L622-I625 PolarHBondContact O-N 2.93Å; I625-A628 PolarHBondContact O-N 3.31Å; I625-I629 HydrophobicContact CG2-CD1 3.76Å; I625-I629 HydrophobicContact CG2-CG1 4.36Å; I625-I629 WeakPolarHBondContact O-CG1 3.32Å; I625-I629 PolarHBondContact O-N 3.22Å
626	R	97.8	Very high	96.4	Very high	74 Å²	74	46.4 Å²	46.4	28%	0.279	24%	0.24	S	C	.	.	H	α-helix	trans	-57.8	-54.5	178.9	-167.9	-173.2	67.8	72	1	111.1	F596 L622 E623 I624 A628 I629 I630	F596-R626 HydrophobicContact CD1-CB 4.35Å; F596-R626 HydrophobicContact CD1-CG 3.75Å; F596-R626 HydrophobicContact CD2-CB 3.81Å; F596-R626 HydrophobicContact CD2-CG 4.05Å; F596-R626 HydrophobicContact CE1-CB 4.05Å; F596-R626 HydrophobicContact CE1-CG 3.65Å; F596-R626 HydrophobicContact CE2-CB 3.47Å; F596-R626 VanDerWaalsContact CE2-CB 3.47Å; F596-R626 HydrophobicContact CE2-CG 3.97Å; F596-R626 HydrophobicContact CG-CB 4.24Å; F596-R626 HydrophobicContact CG-CG 3.94Å; F596-R626 HydrophobicContact CZ-CB 3.59Å; F596-R626 HydrophobicContact CZ-CG 3.76Å; L622-R626 WeakPolarHBondContact O-CB 3.47Å; L622-R626 PolarHBondContact O-N 3.36Å; E623-R626 PolarHBondContact O-N 2.83Å; E623-R626 IonicContact OE1-CZ 3.95Å; E623-R626 IonicContact OE1-NE 3.22Å; E623-R626 IonicContact OE1-NH2 3.28Å; E623-R626 PolarHBondContact OE1-NH2 3.47Å; E623-R626 IonicContact OE2-CZ 2.69Å; E623-R626 IonicContact OE2-NE 3.86Å; E623-R626 PolarHBondContact OE2-NE 2.84Å; E623-R626 IonicContact OE2-NH2 3.02Å; E623-R626 PolarHBondContact OE2-NH2 2.91Å; I624-R626 VanDerWaalsContact C-N 3.34Å; I624-R626 PolarHBondContact O-N 3.16Å; R626-A628 VanDerWaalsContact C-N 3.3Å; R626-A628 PolarHBondContact O-N 2.68Å; R626-I629 PolarHBondContact O-N 3.44Å; R626-I630 HydrophobicContact CG-CG1 4.49Å; R626-I630 VanDerWaalsContact O-CG1 3.24Å; R626-I630 WeakPolarHBondContact O-CG1 3.45Å; R626-I630 PolarHBondContact O-N 3.39Å
627	K	96.6	Very high	96.4	Very high	62 Å²	62	43.6 Å²	43.6	27%	0.27	22%	0.22	S	C	.	.	H	α-helix	trans	-61.7	-40.3	-179.2	-70.5	-177.6	-171.6	179.5	0	111.9	E623 I624 A631 D662	E623-K627 HydrophobicContact CG-CD 4.47Å; E623-K627 WeakPolarHBondContact O-CB 3.41Å; E623-K627 WeakPolarHBondContact O-CG 3.29Å; E623-K627 PolarHBondContact O-N 2.87Å; E623-K627 WeakPolarHBondContact OE1-CE 3.39Å; E623-K627 IonicContact OE1-NZ 2.77Å; I624-K627 PolarHBondContact O-N 2.92Å; K627-A631 VanDerWaalsContact O-CB 3.26Å; K627-A631 WeakPolarHBondContact O-CB 3.18Å; K627-A631 PolarHBondContact O-N 3.48Å; K627-D662 WeakPolarHBondContact CD-OD1 3.26Å; K627-D662 IonicContact NZ-OD1 3.15Å; K627-D662 PolarHBondContact NZ-OD1 2.92Å; K627-D662 IonicContact NZ-OD2 3.66Å; K627-D662 PolarHBondContact NZ-OD2 3.37Å
628	A	98.1	Very high	96.3	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-64.1	-45.3	179.2	0	0	0	0	0	112.4	L556 A559 I624 I625 R626 A631 I665 M669	L556-A628 HydrophobicContact CD2-CB 4.29Å; A559-A628 HydrophobicContact CB-CB 3.56Å; I624-A628 WeakPolarHBondContact O-CB 3.37Å; I624-A628 PolarHBondContact O-N 2.77Å; I625-A628 PolarHBondContact O-N 3.31Å; R626-A628 VanDerWaalsContact C-N 3.3Å; R626-A628 PolarHBondContact O-N 2.68Å; A628-A631 PolarHBondContact O-N 2.95Å; A628-I665 HydrophobicContact CB-CG2 4.26Å; A628-M669 HydrophobicContact CB-CE 4.28Å; A628-M669 HydrophobicContact CB-CG 3.68Å; A628-M669 HydrophobicContact CB-SD 3.87Å
629	I	98.4	Very high	96.3	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-67.3	-46.1	176.5	-66.6	177.9	0	0	0	110.6	A559 C562 H563 E592 H595 F596 I625 R626 A631 T632	A559-I629 HydrophobicContact CB-CG1 4.05Å; C562-I629 HydrophobicContact CB-CD1 4.26Å; H563-I629 HydrophobicContact CB-CG1 4.19Å; H563-I629 HydrophobicContact CB-CG2 4.5Å; E592-I629 HydrophobicContact CB-CG2 4.43Å; E592-I629 WeakPolarHBondContact O-CG2 3.24Å; H595-I629 HydrophobicContact CB-CG2 3.92Å; F596-I629 HydrophobicContact CB-CD1 4.45Å; F596-I629 HydrophobicContact CB-CG2 4.38Å; F596-I629 HydrophobicContact CD2-CD1 4.47Å; I625-I629 HydrophobicContact CG2-CD1 3.76Å; I625-I629 HydrophobicContact CG2-CG1 4.36Å; I625-I629 WeakPolarHBondContact O-CG1 3.32Å; I625-I629 PolarHBondContact O-N 3.22Å; R626-I629 PolarHBondContact O-N 3.44Å; I629-A631 PolarHBondContact O-N 3.32Å; I629-T632 PolarHBondContact O-N 3.18Å; I629-T632 VanDerWaalsContact O-N 3.09Å; I629-T632 PolarHBondContact O-OG1 2.93Å
630	I	96.8	Very high	96.2	Very high	19 Å²	19	41.6 Å²	41.6	10%	0.097	22%	0.215	C	C	.	.	H	α-helix	trans	-61.5	-31.6	178.4	-62.8	-58.5	0	0	0	112	E592 Q593 R626 T632 D633 L636	E592-I630 HydrophobicContact CB-CD1 3.79Å; Q593-I630 HydrophobicContact CB-CD1 4.37Å; Q593-I630 VanDerWaalsContact CD-CD1 3.44Å; Q593-I630 HydrophobicContact CG-CD1 3.72Å; R626-I630 HydrophobicContact CG-CG1 4.49Å; R626-I630 VanDerWaalsContact O-CG1 3.24Å; R626-I630 WeakPolarHBondContact O-CG1 3.45Å; R626-I630 PolarHBondContact O-N 3.39Å; I630-T632 PolarHBondContact O-N 3.29Å; I630-D633 WeakPolarHBondContact O-CB 3.45Å; I630-D633 PolarHBondContact O-N 3.4Å; I630-L636 HydrophobicContact CG2-CD1 3.77Å
631	A	96.3	Very high	96.2	Very high	18 Å²	18	38.4 Å²	38.4	15%	0.149	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-7.6	178.6	0	0	0	0	0	114.7	K627 A628 I629 T670	K627-A631 VanDerWaalsContact O-CB 3.26Å; K627-A631 WeakPolarHBondContact O-CB 3.18Å; K627-A631 PolarHBondContact O-N 3.48Å; A628-A631 PolarHBondContact O-N 2.95Å; I629-A631 PolarHBondContact O-N 3.32Å; A631-T670 PolarHBondContact O-OG1 3.27Å
632	T	96.8	Very high	96.1	Very high	12 Å²	12	44.7 Å²	44.7	7%	0.074	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-13.6	171.9	64.3	0	0	0	0	112.3	H563 I629 I630 L634 M669	H563-T632 HydrophobicContact CB-CG2 4.07Å; I629-T632 PolarHBondContact O-N 3.18Å; I629-T632 VanDerWaalsContact O-N 3.09Å; I629-T632 PolarHBondContact O-OG1 2.93Å; I630-T632 PolarHBondContact O-N 3.29Å; T632-L634 PolarHBondContact O-N 2.92Å; T632-M669 HydrophobicContact CG2-CB 4.43Å; T632-M669 HydrophobicContact CG2-CE 4.05Å
633	D	96.3	Very high	96.1	Very high	22 Å²	22	46.1 Å²	46.1	12%	0.118	24%	0.235	C	C	.	.			trans	-65	108.6	169.6	-175.5	-9.6	0	0	0	110.4	S589 E592 I630 A635 L636 Y637	S589-D633 WeakPolarHBondContact CB-OD2 3.32Å; S589-D633 PolarHBondContact OG-OD2 3.31Å; E592-D633 HydrophobicContact CG-CB 4.02Å; I630-D633 WeakPolarHBondContact O-CB 3.45Å; I630-D633 PolarHBondContact O-N 3.4Å; D633-A635 PolarHBondContact O-N 3.07Å; D633-A635 VanDerWaalsContact O-N 3.08Å; D633-A635 VanDerWaalsContact OD1-CB 3.25Å; D633-A635 WeakPolarHBondContact OD1-CB 3.32Å; D633-A635 PolarHBondContact OD1-N 3.38Å; D633-L636 HydrophobicContact CB-CD1 4.25Å; D633-L636 HydrophobicContact CB-CG 4.23Å; D633-L636 WeakPolarHBondContact O-CB 3.4Å; D633-L636 PolarHBondContact O-N 3.19Å; D633-Y637 PolarHBondContact O-N 2.92Å
634	L	93.2	Very high	96	Very high	61 Å²	61	42.8 Å²	42.8	32%	0.319	22%	0.219	S	C	.	.	H	α-helix	trans	-61	-20.6	-177.7	-163.6	67.8	0	0	0	113	T632 L636 Y637 F638 T670 V732	T632-L634 PolarHBondContact O-N 2.92Å; L634-L636 VanDerWaalsContact C-N 3.26Å; L634-L636 PolarHBondContact O-N 3.26Å; L634-Y637 HydrophobicContact CD1-CD1 3.84Å; L634-Y637 HydrophobicContact CD1-CG 4.01Å; L634-Y637 WeakPolarHBondContact O-CB 3.32Å; L634-Y637 PolarHBondContact O-N 3.49Å; L634-F638 HydrophobicContact CG-CE2 4.22Å; L634-F638 VanDerWaalsContact O-CD2 3.26Å; L634-F638 WeakPolarHBondContact O-CD2 3.49Å; L634-F638 WeakPolarHBondContact O-CE2 3.47Å; L634-T670 HydrophobicContact CD1-CG2 4.17Å; L634-V732 HydrophobicContact CD1-CG1 3.93Å
635	A	93.1	Very high	95.9	Very high	72 Å²	72	43.6 Å²	43.6	60%	0.595	23%	0.226	S	C	*	.	H	α-helix	trans	-64.1	-33.1	173	0	0	0	0	0	112.2	D633	D633-A635 PolarHBondContact O-N 3.07Å; D633-A635 VanDerWaalsContact O-N 3.08Å; D633-A635 VanDerWaalsContact OD1-CB 3.25Å; D633-A635 WeakPolarHBondContact OD1-CB 3.32Å; D633-A635 PolarHBondContact OD1-N 3.38Å
636	L	93.8	Very high	95.7	Very high	80 Å²	80	49.5 Å²	49.5	42%	0.419	25%	0.253	S	S	.	.	H	α-helix	trans	-80.5	-28	178.4	-58	-178.8	0	0	0	112.2	I630 D633 L634 F638 N640	I630-L636 HydrophobicContact CG2-CD1 3.77Å; D633-L636 HydrophobicContact CB-CD1 4.25Å; D633-L636 HydrophobicContact CB-CG 4.23Å; D633-L636 WeakPolarHBondContact O-CB 3.4Å; D633-L636 PolarHBondContact O-N 3.19Å; L634-L636 VanDerWaalsContact C-N 3.26Å; L634-L636 PolarHBondContact O-N 3.26Å; L636-F638 PolarHBondContact O-N 3.09Å; L636-N640 WeakPolarHBondContact O-CB 3.43Å; L636-N640 PolarHBondContact O-N 3.02Å
637	Y	95.8	Very high	95.6	Very high	4 Å²	4	47.4 Å²	47.4	2%	0.016	25%	0.248	C	C	.	.	H	α-helix	trans	-54.9	-47.6	-179	161.4	-100.2	0	0	0	112.8	D633 L634 N639 N640 H641 L667 T670 V732 C736	D633-Y637 PolarHBondContact O-N 2.92Å; L634-Y637 HydrophobicContact CD1-CD1 3.84Å; L634-Y637 HydrophobicContact CD1-CG 4.01Å; L634-Y637 WeakPolarHBondContact O-CB 3.32Å; L634-Y637 PolarHBondContact O-N 3.49Å; Y637-N639 PolarHBondContact O-N 3.45Å; Y637-N640 WeakPolarHBondContact O-CB 3.5Å; Y637-N640 PolarHBondContact O-N 3.33Å; Y637-N640 VanDerWaalsContact O-N 3.1Å; Y637-H641 HydrophobicContact CD2-CB 4.27Å; Y637-H641 HydrophobicContact CE1-CB 4.4Å; Y637-H641 HydrophobicContact CE2-CB 3.81Å; Y637-H641 AromaticContact CZ-CG 3.91Å; Y637-H641 WeakPolarHBondContact O-CB 3.36Å; Y637-H641 PolarHBondContact O-N 2.91Å; Y637-H641 PolarHBondContact OH-CD2 2.99Å; Y637-L667 HydrophobicContact CE2-CD1 3.99Å; Y637-T670 HydrophobicContact CD2-CG2 3.68Å; Y637-T670 HydrophobicContact CE2-CG2 4.19Å; Y637-T670 HydrophobicContact CG-CG2 4.09Å; Y637-V732 HydrophobicContact CE1-CG1 4.06Å; Y637-V732 PolarHBondContact OH-O 3.19Å; Y637-C736 HydrophobicContact CE2-CB 4.15Å; Y637-C736 WeakPolarHBondContact OH-CB 3.36Å; Y637-C736 PolarHBondContact OH-N 3.12Å
638	F	95.3	Very high	95.5	Very high	109 Å²	109	46.6 Å²	46.6	48%	0.478	25%	0.246	S	C	.	.	H	α-helix	trans	-60.3	-46	-171.9	-67	-74	0	0	0	113.2	L634 L636 N640 Q642 V732	L634-F638 HydrophobicContact CG-CE2 4.22Å; L634-F638 VanDerWaalsContact O-CD2 3.26Å; L634-F638 WeakPolarHBondContact O-CD2 3.49Å; L634-F638 WeakPolarHBondContact O-CE2 3.47Å; L636-F638 PolarHBondContact O-N 3.09Å; F638-N640 VanDerWaalsContact C-N 3.35Å; F638-Q642 WeakPolarHBondContact O-CB 3.3Å; F638-Q642 PolarHBondContact O-N 2.84Å; F638-Q642 VanDerWaalsContact O-N 3.1Å; F638-V732 HydrophobicContact CE1-CG2 4.28Å; F638-V732 HydrophobicContact CZ-CG2 4.14Å
639	N	94.4	Very high	95.2	Very high	94 Å²	94	52.3 Å²	52.3	50%	0.503	28%	0.281	S	S	.	.	H	α-helix	trans	-69.1	-36.4	177.2	-174.6	30.6	0	0	0	111.5	Y637 Q643	Y637-N639 PolarHBondContact O-N 3.45Å; N639-Q643 PolarHBondContact ND2-NE2 3.43Å; N639-Q643 WeakPolarHBondContact O-CG 3.42Å; N639-Q643 PolarHBondContact O-N 2.82Å; N639-Q643 PolarHBondContact OD1-NE2 3.09Å
640	N	94.7	Very high	95	Very high	22 Å²	22	57 Å²	57	12%	0.118	31%	0.31	C	S	.	.	H	α-helix	trans	-63.8	-49.6	176.2	-176.6	33.3	0	0	0	111.9	L636 Y637 F638 Q643 L644 R663	L636-N640 WeakPolarHBondContact O-CB 3.43Å; L636-N640 PolarHBondContact O-N 3.02Å; Y637-N640 WeakPolarHBondContact O-CB 3.5Å; Y637-N640 PolarHBondContact O-N 3.33Å; Y637-N640 VanDerWaalsContact O-N 3.1Å; F638-N640 VanDerWaalsContact C-N 3.35Å; N640-Q643 PolarHBondContact O-N 3.31Å; N640-L644 WeakPolarHBondContact O-CB 3.24Å; N640-L644 PolarHBondContact O-N 2.93Å; N640-R663 PolarHBondContact ND2-O 2.84Å; N640-R663 WeakPolarHBondContact OD1-CA 3.43Å; N640-R663 WeakPolarHBondContact OD1-CB 3.45Å; N640-R663 WeakPolarHBondContact OD1-CG 3.29Å
641	H	96	Very high	94.8	Very high	31 Å²	31	59.3 Å²	59.3	14%	0.144	34%	0.338	C	S	.	.	H	α-helix	trans	-58.9	-49.2	-179.8	178.7	-92	0	0	0	111.4	Y637 Q643 L644 T645 P735 T739	Y637-H641 HydrophobicContact CD2-CB 4.27Å; Y637-H641 HydrophobicContact CE1-CB 4.4Å; Y637-H641 HydrophobicContact CE2-CB 3.81Å; Y637-H641 AromaticContact CZ-CG 3.91Å; Y637-H641 WeakPolarHBondContact O-CB 3.36Å; Y637-H641 PolarHBondContact O-N 2.91Å; Y637-H641 PolarHBondContact OH-CD2 2.99Å; H641-Q643 VanDerWaalsContact C-N 3.34Å; H641-Q643 PolarHBondContact O-N 2.94Å; H641-L644 PolarHBondContact O-N 2.97Å; H641-L644 VanDerWaalsContact O-N 3.13Å; H641-T645 PolarHBondContact CE1-OG1 3.43Å; H641-T645 PolarHBondContact O-N 3.02Å; H641-T645 PolarHBondContact O-OG1 2.86Å; H641-T645 VanDerWaalsContact O-OG1 3.11Å; H641-P735 PolarHBondContact NE2-O 2.86Å; H641-T739 PolarHBondContact NE2-OG1 3.09Å
642	Q	95.7	Very high	94.7	Very high	131 Å²	131	60.2 Å²	60.2	61%	0.612	35%	0.35	S	S	*	.	H	α-helix	trans	-53.9	-49.3	178.4	-177.6	-178.7	6.8	0	0	112.2	F638 L644 T645 E646	F638-Q642 WeakPolarHBondContact O-CB 3.3Å; F638-Q642 PolarHBondContact O-N 2.84Å; F638-Q642 VanDerWaalsContact O-N 3.1Å; Q642-L644 VanDerWaalsContact C-N 3.34Å; Q642-L644 PolarHBondContact O-N 3.42Å; Q642-T645 PolarHBondContact O-N 3.4Å; Q642-E646 PolarHBondContact O-N 3.48Å
643	Q	95.6	Very high	94.6	Very high	60 Å²	60	61.9 Å²	61.9	28%	0.28	36%	0.358	S	S	.	.	H	α-helix	trans	-68.3	-35.7	-178.8	-66.7	-178.8	37.8	0	0	111.8	N639 N640 H641 E646 L647	N639-Q643 PolarHBondContact ND2-NE2 3.43Å; N639-Q643 WeakPolarHBondContact O-CG 3.42Å; N639-Q643 PolarHBondContact O-N 2.82Å; N639-Q643 PolarHBondContact OD1-NE2 3.09Å; N640-Q643 PolarHBondContact O-N 3.31Å; H641-Q643 VanDerWaalsContact C-N 3.34Å; H641-Q643 PolarHBondContact O-N 2.94Å; Q643-E646 PolarHBondContact O-N 2.79Å; Q643-L647 VanDerWaalsContact O-CG 3.3Å; Q643-L647 WeakPolarHBondContact O-CG 3.42Å; Q643-L647 PolarHBondContact O-N 3.08Å
644	L	95.6	Very high	94.5	Very high	0 Å²	0	64.2 Å²	64.2	0%	0	37%	0.37	C	S	.	.	H	α-helix	trans	-68.5	-40.2	177.1	-171.4	57.2	0	0	0	111.8	N640 H641 Q642 E646 L647 L648 L653 R663 V664 L667 T739 L743	N640-L644 WeakPolarHBondContact O-CB 3.24Å; N640-L644 PolarHBondContact O-N 2.93Å; H641-L644 PolarHBondContact O-N 2.97Å; H641-L644 VanDerWaalsContact O-N 3.13Å; Q642-L644 VanDerWaalsContact C-N 3.34Å; Q642-L644 PolarHBondContact O-N 3.42Å; L644-E646 VanDerWaalsContact C-N 3.34Å; L644-L647 PolarHBondContact O-N 3.42Å; L644-L648 WeakPolarHBondContact O-CG 3.47Å; L644-L648 PolarHBondContact O-N 3.13Å; L644-L653 HydrophobicContact CD1-CD1 3.83Å; L644-R663 HydrophobicContact CD1-CB 4.42Å; L644-V664 HydrophobicContact CD1-CG2 3.89Å; L644-V664 HydrophobicContact CD2-CG2 4.45Å; L644-L667 HydrophobicContact CD2-CB 3.84Å; L644-L667 HydrophobicContact CD2-CD2 3.72Å; L644-L667 HydrophobicContact CD2-CG 4.26Å; L644-T739 HydrophobicContact CD2-CG2 4.33Å; L644-T739 HydrophobicContact CG-CG2 4.35Å; L644-L743 HydrophobicContact CD2-CD1 3.94Å; L644-L743 HydrophobicContact CG-CD1 4.42Å
645	T	94.8	Very high	94.5	Very high	44 Å²	44	63.7 Å²	63.7	27%	0.27	37%	0.367	S	S	.	.	H	α-helix	trans	-63.2	-39.5	173.2	-57.3	0	0	0	0	111.8	H641 Q642 L648 T649	H641-T645 PolarHBondContact CE1-OG1 3.43Å; H641-T645 PolarHBondContact O-N 3.02Å; H641-T645 PolarHBondContact O-OG1 2.86Å; H641-T645 VanDerWaalsContact O-OG1 3.11Å; Q642-T645 PolarHBondContact O-N 3.4Å; T645-L648 PolarHBondContact O-N 2.85Å; T645-T649 WeakPolarHBondContact O-CB 3.31Å; T645-T649 PolarHBondContact O-N 2.96Å; T645-T649 PolarHBondContact O-OG1 3.39Å
646	E	95.4	Very high	94.5	Very high	124 Å²	124	66.9 Å²	66.9	58%	0.579	37%	0.374	S	S	*	.	H	α-helix	trans	-62.9	-45.2	175.1	-175.3	176	-172.3	0	0	111.6	Q642 Q643 L644 L648 T649 T650	Q642-E646 PolarHBondContact O-N 3.48Å; Q643-E646 PolarHBondContact O-N 2.79Å; L644-E646 VanDerWaalsContact C-N 3.34Å; E646-L648 VanDerWaalsContact C-N 3.32Å; E646-L648 PolarHBondContact O-N 2.91Å; E646-T649 PolarHBondContact O-N 3.45Å; E646-T650 WeakPolarHBondContact O-CB 3.41Å; E646-T650 WeakPolarHBondContact O-CG2 3.47Å; E646-T650 PolarHBondContact O-N 2.93Å; E646-T650 PolarHBondContact O-OG1 2.92Å
647	L	95.7	Very high	94.5	Very high	31 Å²	31	66.2 Å²	66.2	16%	0.162	37%	0.371	C	S	.	.	H	α-helix	trans	-61.2	-39.1	176	-72.9	170	0	0	0	112.4	Q643 L644 T650 G651 G652 L653	Q643-L647 VanDerWaalsContact O-CG 3.3Å; Q643-L647 WeakPolarHBondContact O-CG 3.42Å; Q643-L647 PolarHBondContact O-N 3.08Å; L644-L647 PolarHBondContact O-N 3.42Å; L647-T650 PolarHBondContact O-OG1 2.79Å; L647-G651 PolarHBondContact O-N 3.27Å; L647-G651 VanDerWaalsContact O-N 3.15Å; L647-G652 PolarHBondContact O-N 2.76Å; L647-L653 HydrophobicContact CB-CB 4.38Å; L647-L653 HydrophobicContact CD1-CD1 4.43Å; L647-L653 PolarHBondContact O-N 3.2Å
648	L	93.3	Very high	94.4	Very high	45 Å²	45	73 Å²	73	24%	0.236	40%	0.403	C	S	.	.	H	α-helix	trans	-68	-46.4	176.3	-77	167.6	0	0	0	111.9	L644 T645 E646 T650 G651 L653 T739 L743	L644-L648 WeakPolarHBondContact O-CG 3.47Å; L644-L648 PolarHBondContact O-N 3.13Å; T645-L648 PolarHBondContact O-N 2.85Å; E646-L648 VanDerWaalsContact C-N 3.32Å; E646-L648 PolarHBondContact O-N 2.91Å; L648-T650 VanDerWaalsContact C-N 3.3Å; L648-T650 PolarHBondContact O-N 3.2Å; L648-G651 PolarHBondContact O-N 2.82Å; L648-G651 VanDerWaalsContact O-N 3.16Å; L648-L653 HydrophobicContact CD2-CD2 3.84Å; L648-T739 HydrophobicContact CD1-CG2 3.6Å; L648-L743 HydrophobicContact CD1-CD1 4.47Å; L648-L743 HydrophobicContact CD1-CD2 4.19Å; L648-L743 HydrophobicContact CD1-CG 4.05Å; L648-L743 HydrophobicContact CD2-CD2 3.76Å; L648-L743 HydrophobicContact CD2-CG 4.32Å; L648-L743 HydrophobicContact CG-CD2 4.35Å
649	T	92.9	Very high	94.4	Very high	119 Å²	119	70.4 Å²	70.4	73%	0.73	40%	0.398	S	S	*	.	H	α-helix	trans	-64.5	-36.3	-178.4	-54.2	0	0	0	0	111.8	T645 E646	T645-T649 WeakPolarHBondContact O-CB 3.31Å; T645-T649 PolarHBondContact O-N 2.96Å; T645-T649 PolarHBondContact O-OG1 3.39Å; E646-T649 PolarHBondContact O-N 3.45Å
650	T	94.4	Very high	94.4	Very high	99 Å²	99	67.4 Å²	67.4	61%	0.607	38%	0.381	S	S	*	.	H	α-helix	trans	-84.1	-8.8	178.3	55.6	0	0	0	0	113.7	E646 L647 L648 G652	E646-T650 WeakPolarHBondContact O-CB 3.41Å; E646-T650 WeakPolarHBondContact O-CG2 3.47Å; E646-T650 PolarHBondContact O-N 2.93Å; E646-T650 PolarHBondContact O-OG1 2.92Å; L647-T650 PolarHBondContact O-OG1 2.79Å; L648-T650 VanDerWaalsContact C-N 3.3Å; L648-T650 PolarHBondContact O-N 3.2Å; T650-G652 PolarHBondContact O-N 3.39Å
651	G	92.2	Very high	94.4	Very high	67 Å²	67	68.2 Å²	68.2	69%	0.691	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.4	18.4	-173.7	0	0	0	0	0	114	L647 L648	L647-G651 PolarHBondContact O-N 3.27Å; L647-G651 VanDerWaalsContact O-N 3.15Å; L648-G651 PolarHBondContact O-N 2.82Å; L648-G651 VanDerWaalsContact O-N 3.16Å
652	G	93.3	Very high	94.4	Very high	38 Å²	38	69.4 Å²	69.4	39%	0.392	39%	0.39	S	S	.	.			trans	-88.8	1.4	-177	0	0	0	0	0	115.1	L647 T650 D654 H660	L647-G652 PolarHBondContact O-N 2.76Å; T650-G652 PolarHBondContact O-N 3.39Å; G652-D654 PolarHBondContact O-N 3.43Å; G652-H660 PolarHBondContact O-CE1 3.43Å
653	L	94.8	Very high	94.4	Very high	46 Å²	46	65.6 Å²	65.6	24%	0.241	37%	0.37	C	S	.	.			trans	-68.7	111.8	-179.5	-176.2	70.5	0	0	0	111.7	L644 L647 L648 H660 V664 L743	L644-L653 HydrophobicContact CD1-CD1 3.83Å; L647-L653 HydrophobicContact CB-CB 4.38Å; L647-L653 HydrophobicContact CD1-CD1 4.43Å; L647-L653 PolarHBondContact O-N 3.2Å; L648-L653 HydrophobicContact CD2-CD2 3.84Å; L653-H660 HydrophobicContact CD1-CB 4Å; L653-V664 HydrophobicContact CD1-CG2 4.29Å; L653-L743 HydrophobicContact CD2-CD2 3.31Å
654	D	94.6	Very high	94.5	Very high	72 Å²	72	63 Å²	63	39%	0.385	36%	0.358	S	S	.	.			trans	-115.7	114.7	171.9	176.1	17.7	0	0	0	111.2	G652 N656 N657 H660	G652-D654 PolarHBondContact O-N 3.43Å; D654-N656 PolarHBondContact O-N 3.21Å; D654-N656 WeakPolarHBondContact OD1-CB 3.37Å; D654-N656 PolarHBondContact OD1-N 3.42Å; D654-N656 PolarHBondContact OD1-ND2 2.95Å; D654-N657 HydrophobicContact CB-CB 4.42Å; D654-N657 WeakPolarHBondContact O-CB 3.42Å; D654-N657 PolarHBondContact O-N 3.15Å; D654-N657 VanDerWaalsContact O-N 3.16Å; D654-H660 PolarHBondContact N-ND1 2.87Å; D654-H660 VanDerWaalsContact N-ND1 3.19Å; D654-H660 VanDerWaalsContact O-CB 3.23Å; D654-H660 WeakPolarHBondContact O-CB 3.41Å; D654-H660 PolarHBondContact O-ND1 2.74Å; D654-H660 VanDerWaalsContact O-ND1 3.16Å
655	L	92.4	Very high	94.5	Very high	49 Å²	49	63.2 Å²	63.2	26%	0.257	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76	-6.8	-179.7	-64.8	-179.4	0	0	0	114.4	I547 N657 R661 V664	I547-L655 HydrophobicContact CG2-CD1 3.78Å; L655-N657 VanDerWaalsContact C-N 3.32Å; L655-R661 WeakPolarHBondContact O-CD 3.28Å; L655-R661 PolarHBondContact O-NH1 2.87Å; L655-V664 HydrophobicContact CD2-CG2 3.93Å
656	N	93	Very high	94.6	Very high	139 Å²	139	61.3 Å²	61.3	74%	0.743	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-17.9	168.9	-55.9	-65	0	0	0	111.6	D654 H658	D654-N656 PolarHBondContact O-N 3.21Å; D654-N656 WeakPolarHBondContact OD1-CB 3.37Å; D654-N656 PolarHBondContact OD1-N 3.42Å; D654-N656 PolarHBondContact OD1-ND2 2.95Å; N656-H658 PolarHBondContact O-N 2.99Å
657	N	95.3	Very high	94.7	Very high	66 Å²	66	55.5 Å²	55.5	35%	0.353	32%	0.321	S	S	.	.	S	Bend	trans	-77.7	117.4	172	-174.8	-40.1	0	0	0	109.5	D654 L655 S659 H660 R661	D654-N657 HydrophobicContact CB-CB 4.42Å; D654-N657 WeakPolarHBondContact O-CB 3.42Å; D654-N657 PolarHBondContact O-N 3.15Å; D654-N657 VanDerWaalsContact O-N 3.16Å; L655-N657 VanDerWaalsContact C-N 3.32Å; N657-S659 VanDerWaalsContact C-N 3.25Å; N657-S659 PolarHBondContact O-N 2.94Å; N657-S659 WeakPolarHBondContact OD1-CB 3.27Å; N657-S659 PolarHBondContact OD1-N 3.23Å; N657-H660 HydrophobicContact CB-CB 4.15Å; N657-H660 PolarHBondContact O-N 3.04Å; N657-H660 VanDerWaalsContact O-N 3.14Å; N657-R661 WeakPolarHBondContact O-CB 3.41Å; N657-R661 PolarHBondContact O-N 3.44Å
658	H	92.9	Very high	94.8	Very high	147 Å²	147	54 Å²	54	68%	0.681	31%	0.313	S	S	*	.	H	α-helix	trans	-54.5	-38.7	-179.6	-70.4	-73.4	0	0	0	113.5	N656 R661 D662	N656-H658 PolarHBondContact O-N 2.99Å; H658-R661 PolarHBondContact O-N 2.84Å; H658-D662 WeakPolarHBondContact O-CB 3.32Å; H658-D662 PolarHBondContact O-N 3.33Å
659	S	94.6	Very high	95	Very high	55 Å²	55	51.9 Å²	51.9	39%	0.385	30%	0.302	S	S	.	.	H	α-helix	trans	-65.6	-46.5	178.6	179.3	0	0	0	0	111.3	N657 R661 D662 R663	N657-S659 VanDerWaalsContact C-N 3.25Å; N657-S659 PolarHBondContact O-N 2.94Å; N657-S659 WeakPolarHBondContact OD1-CB 3.27Å; N657-S659 PolarHBondContact OD1-N 3.23Å; S659-R661 VanDerWaalsContact C-N 3.29Å; S659-R661 PolarHBondContact O-N 3.37Å; S659-D662 PolarHBondContact O-N 3.27Å; S659-R663 VanDerWaalsContact O-CG 3.24Å; S659-R663 WeakPolarHBondContact O-CG 3.21Å; S659-R663 PolarHBondContact O-N 3.06Å; S659-R663 VanDerWaalsContact O-N 3.14Å
660	H	95.9	Very high	95.3	Very high	30 Å²	30	46.3 Å²	46.3	14%	0.139	27%	0.268	C	S	.	.	H	α-helix	trans	-62.4	-40.3	176.2	-64.3	173.4	0	0	0	111.7	G652 L653 D654 N657 R663 V664	G652-H660 PolarHBondContact O-CE1 3.43Å; L653-H660 HydrophobicContact CD1-CB 4Å; D654-H660 PolarHBondContact N-ND1 2.87Å; D654-H660 VanDerWaalsContact N-ND1 3.19Å; D654-H660 VanDerWaalsContact O-CB 3.23Å; D654-H660 WeakPolarHBondContact O-CB 3.41Å; D654-H660 PolarHBondContact O-ND1 2.74Å; D654-H660 VanDerWaalsContact O-ND1 3.16Å; N657-H660 HydrophobicContact CB-CB 4.15Å; N657-H660 PolarHBondContact O-N 3.04Å; N657-H660 VanDerWaalsContact O-N 3.14Å; H660-R663 WeakPolarHBondContact O-CB 3.48Å; H660-R663 PolarHBondContact O-N 2.78Å; H660-V664 WeakPolarHBondContact O-CG2 3.45Å; H660-V664 PolarHBondContact O-N 2.85Å; H660-V664 VanDerWaalsContact O-N 3.08Å
661	R	95.1	Very high	95.4	Very high	40 Å²	40	41.6 Å²	41.6	15%	0.151	24%	0.239	C	C	.	.	H	α-helix	trans	-63.4	-44	178.4	-163.2	172	-170.2	75.9	13.8	112.1	I547 E552 L655 N657 H658 S659 R663 V664 I665	I547-R661 PolarHBondContact O-NH2 3Å; E552-R661 VanDerWaalsContact CD-NH2 3.26Å; E552-R661 IonicContact OE1-CZ 3.2Å; E552-R661 VanDerWaalsContact OE1-CZ 3.24Å; E552-R661 IonicContact OE1-NE 2.7Å; E552-R661 PolarHBondContact OE1-NE 3.41Å; E552-R661 IonicContact OE1-NH2 2.84Å; E552-R661 PolarHBondContact OE1-NH2 2.99Å; E552-R661 VanDerWaalsContact OE1-NH2 3.08Å; E552-R661 IonicContact OE2-CZ 3Å; E552-R661 IonicContact OE2-NE 2.98Å; E552-R661 IonicContact OE2-NH2 2.78Å; E552-R661 PolarHBondContact OE2-NH2 2.7Å; L655-R661 WeakPolarHBondContact O-CD 3.28Å; L655-R661 PolarHBondContact O-NH1 2.87Å; N657-R661 WeakPolarHBondContact O-CB 3.41Å; N657-R661 PolarHBondContact O-N 3.44Å; H658-R661 PolarHBondContact O-N 2.84Å; S659-R661 VanDerWaalsContact C-N 3.29Å; S659-R661 PolarHBondContact O-N 3.37Å; R661-R663 VanDerWaalsContact C-N 3.28Å; R661-R663 PolarHBondContact O-N 2.85Å; R661-V664 PolarHBondContact O-N 3.14Å; R661-I665 WeakPolarHBondContact O-CG1 3.41Å; R661-I665 PolarHBondContact O-N 3.31Å
662	D	94.9	Very high	95.7	Very high	56 Å²	56	38.4 Å²	38.4	30%	0.299	21%	0.206	S	C	.	.	H	α-helix	trans	-59.5	-38.7	174.4	-70.4	-25.3	0	0	0	111.5	K627 H658 S659 I665 G666	K627-D662 WeakPolarHBondContact CD-OD1 3.26Å; K627-D662 IonicContact NZ-OD1 3.15Å; K627-D662 PolarHBondContact NZ-OD1 2.92Å; K627-D662 IonicContact NZ-OD2 3.66Å; K627-D662 PolarHBondContact NZ-OD2 3.37Å; H658-D662 WeakPolarHBondContact O-CB 3.32Å; H658-D662 PolarHBondContact O-N 3.33Å; S659-D662 PolarHBondContact O-N 3.27Å; D662-I665 PolarHBondContact O-N 3.39Å; D662-G666 PolarHBondContact O-N 2.95Å
663	R	95.9	Very high	96	Very high	51 Å²	51	37.6 Å²	37.6	19%	0.192	19%	0.193	C	C	.	.	H	α-helix	trans	-66	-42.5	178	-66.3	176.1	-177	-78.5	-2.7	112.8	N640 L644 S659 H660 R661 G666 L667	N640-R663 PolarHBondContact ND2-O 2.84Å; N640-R663 WeakPolarHBondContact OD1-CA 3.43Å; N640-R663 WeakPolarHBondContact OD1-CB 3.45Å; N640-R663 WeakPolarHBondContact OD1-CG 3.29Å; L644-R663 HydrophobicContact CD1-CB 4.42Å; S659-R663 VanDerWaalsContact O-CG 3.24Å; S659-R663 WeakPolarHBondContact O-CG 3.21Å; S659-R663 PolarHBondContact O-N 3.06Å; S659-R663 VanDerWaalsContact O-N 3.14Å; H660-R663 WeakPolarHBondContact O-CB 3.48Å; H660-R663 PolarHBondContact O-N 2.78Å; R661-R663 VanDerWaalsContact C-N 3.28Å; R661-R663 PolarHBondContact O-N 2.85Å; R663-G666 PolarHBondContact O-N 3.24Å; R663-L667 PolarHBondContact O-N 3.44Å
664	V	96.6	Very high	96.1	Very high	4 Å²	4	36.4 Å²	36.4	2%	0.024	19%	0.187	C	C	.	.	H	α-helix	trans	-63.8	-44.9	175.5	171.6	0	0	0	0	110.3	L644 L653 L655 H660 R661 G666 L667 M668 L743 F744	L644-V664 HydrophobicContact CD1-CG2 3.89Å; L644-V664 HydrophobicContact CD2-CG2 4.45Å; L653-V664 HydrophobicContact CD1-CG2 4.29Å; L655-V664 HydrophobicContact CD2-CG2 3.93Å; H660-V664 WeakPolarHBondContact O-CG2 3.45Å; H660-V664 PolarHBondContact O-N 2.85Å; H660-V664 VanDerWaalsContact O-N 3.08Å; R661-V664 PolarHBondContact O-N 3.14Å; V664-G666 VanDerWaalsContact C-N 3.33Å; V664-G666 PolarHBondContact O-N 3.09Å; V664-L667 PolarHBondContact O-N 2.94Å; V664-M668 HydrophobicContact CG1-SD 4.22Å; V664-M668 VanDerWaalsContact O-CG 3.3Å; V664-M668 WeakPolarHBondContact O-CG 3.08Å; V664-M668 PolarHBondContact O-N 3.29Å; V664-L743 HydrophobicContact CG2-CD1 4.47Å; V664-L743 HydrophobicContact CG2-CD2 4.31Å; V664-F744 HydrophobicContact CG1-CE2 4.08Å; V664-F744 HydrophobicContact CG1-CZ 3.64Å
665	I	96	Very high	96.3	Very high	6 Å²	6	33 Å²	33	3%	0.031	17%	0.169	C	C	.	.	H	α-helix	trans	-58.6	-45.9	173.3	-74.3	169.3	0	0	0	110.7	L556 A628 R661 D662 L667 M668 M669	L556-I665 HydrophobicContact CD2-CG1 4.34Å; L556-I665 HydrophobicContact CD2-CG2 3.62Å; A628-I665 HydrophobicContact CB-CG2 4.26Å; R661-I665 WeakPolarHBondContact O-CG1 3.41Å; R661-I665 PolarHBondContact O-N 3.31Å; D662-I665 PolarHBondContact O-N 3.39Å; I665-L667 PolarHBondContact O-N 3.42Å; I665-M668 PolarHBondContact O-N 3.09Å; I665-M669 HydrophobicContact CG2-CG 4.39Å; I665-M669 WeakPolarHBondContact O-CG 3.46Å; I665-M669 PolarHBondContact O-N 3.09Å
666	G	97	Very high	96.4	Very high	4 Å²	4	31.4 Å²	31.4	4%	0.041	16%	0.161	C	C	.	.	H	α-helix	trans	-59.1	-46.4	177.6	0	0	0	0	0	112.6	D662 R663 V664 M668 M669 T670	D662-G666 PolarHBondContact O-N 2.95Å; R663-G666 PolarHBondContact O-N 3.24Å; V664-G666 VanDerWaalsContact C-N 3.33Å; V664-G666 PolarHBondContact O-N 3.09Å; G666-M668 VanDerWaalsContact C-N 3.34Å; G666-M668 PolarHBondContact O-N 2.89Å; G666-M669 PolarHBondContact O-N 3.43Å; G666-T670 PolarHBondContact O-N 3.37Å; G666-T670 PolarHBondContact O-OG1 3.37Å; G666-T670 VanDerWaalsContact O-OG1 3.07Å
667	L	97.9	Very high	96.6	Very high	1 Å²	1	25 Å²	25	1%	0.005	13%	0.128	C	C	.	.	H	α-helix	trans	-60	-44.2	175.1	-177.3	77.4	0	0	0	111.6	Y637 L644 R663 V664 I665 M669 T670 A671 T739 L740 L743	Y637-L667 HydrophobicContact CE2-CD1 3.99Å; L644-L667 HydrophobicContact CD2-CB 3.84Å; L644-L667 HydrophobicContact CD2-CD2 3.72Å; L644-L667 HydrophobicContact CD2-CG 4.26Å; R663-L667 PolarHBondContact O-N 3.44Å; V664-L667 PolarHBondContact O-N 2.94Å; I665-L667 PolarHBondContact O-N 3.42Å; L667-M669 VanDerWaalsContact C-N 3.34Å; L667-T670 PolarHBondContact O-N 3.14Å; L667-A671 WeakPolarHBondContact O-CB 2.94Å; L667-A671 PolarHBondContact O-N 3.48Å; L667-T739 HydrophobicContact CD2-CG2 3.68Å; L667-L740 HydrophobicContact CD2-CB 4.5Å; L667-L743 HydrophobicContact CD2-CD1 3.5Å; L667-L743 VanDerWaalsContact CD2-CD1 3.5Å
668	M	97.4	Very high	96.7	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-62.6	-42.2	178.5	-72.2	174.1	70.9	0	0	111.9	M537 I540 L541 F548 V664 I665 G666 A671 C672 L740 F744	M537-M668 HydrophobicContact CE-CB 4.13Å; M537-M668 HydrophobicContact CE-CE 4.44Å; M537-M668 HydrophobicContact SD-CE 3.77Å; I540-M668 HydrophobicContact CG2-CE 3.88Å; L541-M668 HydrophobicContact CD2-CE 4.36Å; F548-M668 HydrophobicContact CE1-CE 4.08Å; F548-M668 HydrophobicContact CE1-SD 3.63Å; F548-M668 HydrophobicContact CE2-CE 3.92Å; F548-M668 HydrophobicContact CE2-SD 4.21Å; F548-M668 HydrophobicContact CZ-CE 3.5Å; F548-M668 HydrophobicContact CZ-SD 3.23Å; F548-M668 WeakPolarHBondContact CZ-SD 3.28Å; V664-M668 HydrophobicContact CG1-SD 4.22Å; V664-M668 VanDerWaalsContact O-CG 3.3Å; V664-M668 WeakPolarHBondContact O-CG 3.08Å; V664-M668 PolarHBondContact O-N 3.29Å; I665-M668 PolarHBondContact O-N 3.09Å; G666-M668 VanDerWaalsContact C-N 3.34Å; G666-M668 PolarHBondContact O-N 2.89Å; M668-A671 PolarHBondContact O-N 2.85Å; M668-C672 WeakPolarHBondContact O-CB 3.38Å; M668-C672 PolarHBondContact O-N 2.9Å; M668-C672 PolarHBondContact O-SG 2.81Å; M668-L740 HydrophobicContact CG-CD1 3.96Å; M668-F744 HydrophobicContact CE-CE2 4.43Å; M668-F744 HydrophobicContact CG-CE2 3.75Å; M668-F744 HydrophobicContact SD-CE2 3.63Å; M668-F744 HydrophobicContact SD-CZ 3.91Å
669	M	98.1	Very high	96.9	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-61.4	-48.6	176.4	-73.8	-59.1	-55	0	0	111.1	M537 L556 A559 A628 T632 I665 G666 L667 A671 C672 D673	M537-M669 HydrophobicContact CE-CG 4.42Å; M537-M669 HydrophobicContact CE-SD 3.54Å; M537-M669 VanDerWaalsContact CE-SD 3.54Å; L556-M669 HydrophobicContact CD2-CG 4.45Å; L556-M669 HydrophobicContact CD2-SD 4.15Å; A559-M669 HydrophobicContact CB-CE 4.28Å; A628-M669 HydrophobicContact CB-CE 4.28Å; A628-M669 HydrophobicContact CB-CG 3.68Å; A628-M669 HydrophobicContact CB-SD 3.87Å; T632-M669 HydrophobicContact CG2-CB 4.43Å; T632-M669 HydrophobicContact CG2-CE 4.05Å; I665-M669 HydrophobicContact CG2-CG 4.39Å; I665-M669 WeakPolarHBondContact O-CG 3.46Å; I665-M669 PolarHBondContact O-N 3.09Å; G666-M669 PolarHBondContact O-N 3.43Å; L667-M669 VanDerWaalsContact C-N 3.34Å; M669-A671 VanDerWaalsContact C-N 3.32Å; M669-A671 PolarHBondContact O-N 2.8Å; M669-C672 PolarHBondContact O-N 3.1Å; M669-C672 VanDerWaalsContact O-N 3.15Å; M669-D673 WeakPolarHBondContact O-CB 3.28Å; M669-D673 PolarHBondContact O-N 3.5Å
670	T	98	Very high	96.9	Very high	2 Å²	2	21 Å²	21	1%	0.012	9%	0.093	C	C	.	.	H	α-helix	trans	-59	-43	174.5	-48	0	0	0	0	111.6	A631 L634 Y637 G666 L667 C672 D673 L674	A631-T670 PolarHBondContact O-OG1 3.27Å; L634-T670 HydrophobicContact CD1-CG2 4.17Å; Y637-T670 HydrophobicContact CD2-CG2 3.68Å; Y637-T670 HydrophobicContact CE2-CG2 4.19Å; Y637-T670 HydrophobicContact CG-CG2 4.09Å; G666-T670 PolarHBondContact O-N 3.37Å; G666-T670 PolarHBondContact O-OG1 3.37Å; G666-T670 VanDerWaalsContact O-OG1 3.07Å; L667-T670 PolarHBondContact O-N 3.14Å; T670-C672 VanDerWaalsContact C-N 3.29Å; T670-C672 PolarHBondContact O-N 3.05Å; T670-D673 PolarHBondContact O-N 3.03Å; T670-L674 HydrophobicContact CG2-CD1 4.03Å; T670-L674 HydrophobicContact CG2-CG 4.37Å; T670-L674 WeakPolarHBondContact O-CB 3.21Å; T670-L674 VanDerWaalsContact O-CG 3.3Å; T670-L674 WeakPolarHBondContact O-CG 3.43Å; T670-L674 PolarHBondContact O-N 3.26Å
671	A	98.3	Very high	96.9	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-65.1	-32.4	178.3	0	0	0	0	0	113	L667 M668 M669 C675 Y737 L740	L667-A671 WeakPolarHBondContact O-CB 2.94Å; L667-A671 PolarHBondContact O-N 3.48Å; M668-A671 PolarHBondContact O-N 2.85Å; M669-A671 VanDerWaalsContact C-N 3.32Å; M669-A671 PolarHBondContact O-N 2.8Å; A671-C675 PolarHBondContact O-N 2.85Å; A671-Y737 HydrophobicContact CB-CD1 4.43Å; A671-Y737 HydrophobicContact CB-CE1 3.92Å; A671-Y737 PolarHBondContact O-OH 3.43Å; A671-L740 HydrophobicContact CB-CD1 4.35Å; A671-L740 HydrophobicContact CB-CD2 3.89Å
672	C	98.5	Very high	96.8	Very high	0 Å²	0	27 Å²	27	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-75.1	-40.9	175.8	-65.9	0	0	0	0	111.3	V533 C536 M537 M668 M669 T670 L674 C675	V533-C672 HydrophobicContact CG1-CB 3.82Å; C536-C672 HydrophobicContact CB-CB 4.15Å; M537-C672 VanDerWaalsContact CA-SG 3.54Å; M537-C672 PolarHBondContact N-SG 3.24Å; M537-C672 VanDerWaalsContact N-SG 3.44Å; M668-C672 WeakPolarHBondContact O-CB 3.38Å; M668-C672 PolarHBondContact O-N 2.9Å; M668-C672 PolarHBondContact O-SG 2.81Å; M669-C672 PolarHBondContact O-N 3.1Å; M669-C672 VanDerWaalsContact O-N 3.15Å; T670-C672 VanDerWaalsContact C-N 3.29Å; T670-C672 PolarHBondContact O-N 3.05Å; C672-L674 VanDerWaalsContact C-N 3.3Å; C672-L674 PolarHBondContact O-N 3.37Å; C672-C675 WeakPolarHBondContact O-CB 3.45Å; C672-C675 PolarHBondContact O-N 3.37Å; C672-C675 VanDerWaalsContact O-N 3.12Å; C672-C675 PolarHBondContact O-SG 3.47Å
673	D	98.6	Very high	96.7	Very high	22 Å²	22	25.4 Å²	25.4	12%	0.118	11%	0.114	C	C	.	.	H	α-helix	trans	-61	-41.4	176.8	-175.9	24.7	0	0	0	111.3	H529 H563 M669 T670 C675	H529-D673 PolarHBondContact CE1-O 3.48Å; H529-D673 IonicContact CE1-OD1 3.24Å; H529-D673 PolarHBondContact CE1-OD1 3.05Å; H529-D673 IonicContact NE2-OD1 3.6Å; H529-D673 PolarHBondContact NE2-OD1 3.31Å; H563-D673 IonicContact NE2-OD1 3.94Å; H563-D673 PolarHBondContact NE2-OD1 3.13Å; M669-D673 WeakPolarHBondContact O-CB 3.28Å; M669-D673 PolarHBondContact O-N 3.5Å; T670-D673 PolarHBondContact O-N 3.03Å; D673-C675 PolarHBondContact O-N 3.17Å
674	L	97.6	Very high	96.7	Very high	21 Å²	21	23.3 Å²	23.3	11%	0.11	11%	0.106	C	C	.	.	G	3₁₀ helix	trans	-80	8	176.7	-58.4	-176.2	0	0	0	114.5	T670 C672 S676 V677 F728 V732 Y737	T670-L674 HydrophobicContact CG2-CD1 4.03Å; T670-L674 HydrophobicContact CG2-CG 4.37Å; T670-L674 WeakPolarHBondContact O-CB 3.21Å; T670-L674 VanDerWaalsContact O-CG 3.3Å; T670-L674 WeakPolarHBondContact O-CG 3.43Å; T670-L674 PolarHBondContact O-N 3.26Å; C672-L674 VanDerWaalsContact C-N 3.3Å; C672-L674 PolarHBondContact O-N 3.37Å; L674-S676 PolarHBondContact O-N 3.28Å; L674-V677 WeakPolarHBondContact O-CG2 3.41Å; L674-V677 PolarHBondContact O-N 3.49Å; L674-V677 VanDerWaalsContact O-N 3.1Å; L674-F728 HydrophobicContact CD1-CZ 3.98Å; L674-F728 HydrophobicContact CD2-CE1 4.48Å; L674-F728 HydrophobicContact CD2-CZ 3.73Å; L674-F728 HydrophobicContact CG-CZ 4.43Å; L674-V732 HydrophobicContact CD1-CG1 3.74Å; L674-Y737 PolarHBondContact O-OH 3.23Å
675	C	97.3	Very high	96.5	Very high	1 Å²	1	24.5 Å²	24.5	1%	0.007	11%	0.11	C	C	.	.	G	3₁₀ helix	trans	-59.3	-20.3	-168.3	67.7	0	0	0	0	115.3	C536 A671 C672 D673 V677 T678 Y737	C536-C675 HydrophobicContact CB-CB 3.62Å; C536-C675 VanDerWaalsContact SG-CB 3.56Å; A671-C675 PolarHBondContact O-N 2.85Å; C672-C675 WeakPolarHBondContact O-CB 3.45Å; C672-C675 PolarHBondContact O-N 3.37Å; C672-C675 VanDerWaalsContact O-N 3.12Å; C672-C675 PolarHBondContact O-SG 3.47Å; D673-C675 PolarHBondContact O-N 3.17Å; C675-V677 PolarHBondContact O-N 2.84Å; C675-T678 PolarHBondContact O-N 3.15Å; C675-T678 PolarHBondContact O-OG1 2.93Å; C675-Y737 WeakPolarHBondContact CA-OH 3.44Å; C675-Y737 PolarHBondContact N-OH 3.35Å
676	S	95.9	Very high	96.3	Very high	14 Å²	14	27.2 Å²	27.2	10%	0.098	13%	0.125	C	C	.	.	G	3₁₀ helix	trans	-55.5	-31	175.4	59.6	0	0	0	0	113.1	L674 T678 K679 T684	L674-S676 PolarHBondContact O-N 3.28Å; S676-T678 PolarHBondContact O-N 3.39Å; S676-K679 PolarHBondContact O-N 2.85Å; S676-T684 PolarHBondContact O-OG1 3.09Å
677	V	97.2	Very high	96.2	Very high	6 Å²	6	27.8 Å²	27.8	4%	0.036	13%	0.127	C	C	.	.	G	3₁₀ helix	trans	-73	-12	179	-54.1	0	0	0	0	114	L674 C675 F728 Y729 A733 Y737 N757	L674-V677 WeakPolarHBondContact O-CG2 3.41Å; L674-V677 PolarHBondContact O-N 3.49Å; L674-V677 VanDerWaalsContact O-N 3.1Å; C675-V677 PolarHBondContact O-N 2.84Å; V677-F728 HydrophobicContact CG1-CE1 4Å; V677-Y729 VanDerWaalsContact CA-OH 3.31Å; V677-Y729 WeakPolarHBondContact CA-OH 3.29Å; V677-Y729 HydrophobicContact CB-CE1 3.91Å; V677-Y729 HydrophobicContact CB-CE2 4.16Å; V677-Y729 WeakPolarHBondContact CB-OH 3.44Å; V677-Y729 HydrophobicContact CG1-CE2 4.02Å; V677-Y729 PolarHBondContact O-OH 3.04Å; V677-Y729 VanDerWaalsContact O-OH 3.13Å; V677-A733 HydrophobicContact CG2-CB 3.92Å; V677-Y737 HydrophobicContact CG2-CD2 4.37Å; V677-Y737 HydrophobicContact CG2-CE2 3.49Å; V677-Y737 VanDerWaalsContact CG2-CE2 3.49Å; V677-N757 PolarHBondContact O-ND2 3.35Å
678	T	97.3	Very high	96.1	Very high	1 Å²	1	27.9 Å²	27.9	1%	0.006	13%	0.128	C	C	.	.	G	3₁₀ helix	trans	-106.7	-4.1	-178.8	70.6	0	0	0	0	113.3	Q476 C675 S676 Y737 L750 A753 C754	Q476-T678 PolarHBondContact NE2-O 3.35Å; Q476-T678 PolarHBondContact OE1-O 2.89Å; C675-T678 PolarHBondContact O-N 3.15Å; C675-T678 PolarHBondContact O-OG1 2.93Å; S676-T678 PolarHBondContact O-N 3.39Å; T678-Y737 HydrophobicContact CG2-CD1 4.27Å; T678-Y737 HydrophobicContact CG2-CD2 3.94Å; T678-Y737 HydrophobicContact CG2-CE1 3.74Å; T678-Y737 HydrophobicContact CG2-CE2 3.37Å; T678-Y737 HydrophobicContact CG2-CG 4.37Å; T678-Y737 WeakPolarHBondContact CG2-OH 3.41Å; T678-L750 HydrophobicContact CG2-CB 4.18Å; T678-L750 HydrophobicContact CG2-CD2 4.31Å; T678-L750 WeakPolarHBondContact OG1-CD2 3.05Å; T678-A753 VanDerWaalsContact O-CB 3.22Å; T678-A753 WeakPolarHBondContact O-CB 3.2Å; T678-C754 HydrophobicContact CG2-CB 4.26Å
679	K	96.6	Very high	95.8	Very high	7 Å²	7	30 Å²	30	3%	0.03	14%	0.14	C	C	.	.	S	Bend	trans	-73.3	173.1	176.9	-61.4	-60.3	-178.4	173.1	0	110.7	F475 Q476 F477 H535 S676 V683 T684 N757	F475-K679 PolarHBondContact O-NZ 3.5Å; Q476-K679 VanDerWaalsContact OE1-C 3.27Å; F477-K679 PolarHBondContact O-NZ 2.53Å; H535-K679 PolarHBondContact ND1-NZ 3.28Å; S676-K679 PolarHBondContact O-N 2.85Å; K679-V683 HydrophobicContact CB-CB 4.05Å; K679-V683 HydrophobicContact CB-CG1 4.02Å; K679-V683 HydrophobicContact CG-CG1 4.36Å; K679-T684 PolarHBondContact O-OG1 3.15Å; K679-T684 VanDerWaalsContact O-OG1 3.14Å; K679-N757 PolarHBondContact O-ND2 2.8Å
680	R	95.9	Very high	95.7	Very high	174 Å²	174	31.6 Å²	31.6	66%	0.657	15%	0.148	S	C	*	.			trans	-58.8	142.9	173.6	-64.4	-176.2	-179.5	175.4	2.3	109.8	Q476 Q682 V683 T684	Q476-R680 VanDerWaalsContact OE1-N 3.11Å; R680-Q682 VanDerWaalsContact C-N 3.26Å; R680-Q682 PolarHBondContact O-N 3.33Å; R680-V683 WeakPolarHBondContact O-CA 3.1Å; R680-V683 WeakPolarHBondContact O-CB 3.47Å; R680-V683 PolarHBondContact O-N 3.38Å; R680-T684 PolarHBondContact O-N 2.93Å
681	W	94.8	Very high	95.6	Very high	43 Å²	43	33 Å²	33	16%	0.163	16%	0.155	C	C	.	.	H	α-helix	trans	-43.3	-46.4	-175.7	175.9	-127.2	0	0	0	114.8	V683 T684 R685 N757 H760 W761 I764	W681-V683 VanDerWaalsContact C-N 3.31Å; W681-V683 PolarHBondContact O-N 2.88Å; W681-T684 PolarHBondContact O-N 2.87Å; W681-R685 HydrophobicContact CZ2-CB 4.37Å; W681-R685 HydrophobicContact CZ2-CG 4.43Å; W681-R685 VanDerWaalsContact O-CB 3.3Å; W681-R685 WeakPolarHBondContact O-CB 3.34Å; W681-R685 PolarHBondContact O-N 3.22Å; W681-N757 WeakPolarHBondContact CA-OD1 3.49Å; W681-N757 HydrophobicContact CE3-CB 4.42Å; W681-H760 HydrophobicContact CD2-CB 3.72Å; W681-H760 AromaticContact CD2-CG 3.78Å; W681-H760 AromaticContact CE2-CG 3.99Å; W681-H760 HydrophobicContact CE3-CB 3.62Å; W681-H760 HydrophobicContact CG-CB 4.49Å; W681-H760 AromaticContact CG-CD2 3.96Å; W681-H760 HydrophobicContact CH2-CB 3.73Å; W681-H760 HydrophobicContact CZ2-CB 3.8Å; W681-H760 HydrophobicContact CZ3-CB 3.61Å; W681-W761 AromaticContact CH2-CD2 3.72Å; W681-W761 HydrophobicContact CH2-CD2 3.72Å; W681-W761 AromaticContact CH2-CE2 3.69Å; W681-W761 HydrophobicContact CH2-CE3 4.08Å; W681-W761 HydrophobicContact CH2-CG 4.1Å; W681-W761 HydrophobicContact CH2-CH2 4.37Å; W681-W761 HydrophobicContact CH2-CZ2 4.04Å; W681-W761 HydrophobicContact CH2-CZ3 4.39Å; W681-W761 AromaticContact CZ3-CD1 3.87Å; W681-W761 HydrophobicContact CZ3-CD2 4.08Å; W681-W761 AromaticContact CZ3-CE2 3.76Å; W681-W761 HydrophobicContact CZ3-CG 4.14Å; W681-W761 HydrophobicContact CZ3-CZ2 4.29Å; W681-W761 AromaticContact CZ3-NE1 3.64Å; W681-I764 HydrophobicContact CH2-CD1 3.91Å; W681-I764 HydrophobicContact CZ2-CD1 3.55Å
682	Q	92.6	Very high	95.4	Very high	155 Å²	155	33.4 Å²	33.4	72%	0.724	16%	0.157	S	C	*	.	H	α-helix	trans	-58.9	-41.1	178.7	-67.2	177.5	-8.1	0	0	112.9	R680 L686	R680-Q682 VanDerWaalsContact C-N 3.26Å; R680-Q682 PolarHBondContact O-N 3.33Å; Q682-L686 WeakPolarHBondContact O-CG 3.38Å; Q682-L686 PolarHBondContact O-N 3.4Å
683	V	94.1	Very high	95.2	Very high	22 Å²	22	35.1 Å²	35.1	13%	0.133	17%	0.171	C	C	.	.	H	α-helix	trans	-72.1	-48.6	178.4	-178.4	0	0	0	0	109.6	D478 K679 R680 W681 R685 L686 T687	D478-V683 HydrophobicContact CB-CG2 4.05Å; D478-V683 WeakPolarHBondContact OD2-CG2 3.44Å; K679-V683 HydrophobicContact CB-CB 4.05Å; K679-V683 HydrophobicContact CB-CG1 4.02Å; K679-V683 HydrophobicContact CG-CG1 4.36Å; R680-V683 WeakPolarHBondContact O-CA 3.1Å; R680-V683 WeakPolarHBondContact O-CB 3.47Å; R680-V683 PolarHBondContact O-N 3.38Å; W681-V683 VanDerWaalsContact C-N 3.31Å; W681-V683 PolarHBondContact O-N 2.88Å; V683-R685 VanDerWaalsContact C-N 3.29Å; V683-R685 PolarHBondContact O-N 3.04Å; V683-L686 PolarHBondContact O-N 3.35Å; V683-T687 WeakPolarHBondContact O-CB 3.3Å; V683-T687 PolarHBondContact O-N 2.9Å; V683-T687 PolarHBondContact O-OG1 3.48Å
684	T	95.1	Very high	95.1	Very high	6 Å²	6	34.6 Å²	34.6	4%	0.037	17%	0.168	C	C	.	.	H	α-helix	trans	-54.9	-45	178.3	-64.1	0	0	0	0	111.9	S676 K679 R680 W681 T687 A688 Y729 N757	S676-T684 PolarHBondContact O-OG1 3.09Å; K679-T684 PolarHBondContact O-OG1 3.15Å; K679-T684 VanDerWaalsContact O-OG1 3.14Å; R680-T684 PolarHBondContact O-N 2.93Å; W681-T684 PolarHBondContact O-N 2.87Å; T684-T687 PolarHBondContact O-N 3.44Å; T684-A688 WeakPolarHBondContact O-CB 3.21Å; T684-A688 PolarHBondContact O-N 2.93Å; T684-Y729 VanDerWaalsContact CG2-OH 3.27Å; T684-Y729 WeakPolarHBondContact CG2-OH 3.46Å; T684-N757 PolarHBondContact OG1-ND2 3.44Å
685	R	91.9	Very high	94.9	Very high	29 Å²	29	36.2 Å²	36.2	11%	0.109	17%	0.174	C	C	.	.	H	α-helix	trans	-67.1	-41.2	179.6	-175.3	174	168.3	-137.9	-14.3	112.9	W681 V683 A688 N689 D771 V772 L773	W681-R685 HydrophobicContact CZ2-CB 4.37Å; W681-R685 HydrophobicContact CZ2-CG 4.43Å; W681-R685 VanDerWaalsContact O-CB 3.3Å; W681-R685 WeakPolarHBondContact O-CB 3.34Å; W681-R685 PolarHBondContact O-N 3.22Å; V683-R685 VanDerWaalsContact C-N 3.29Å; V683-R685 PolarHBondContact O-N 3.04Å; R685-A688 PolarHBondContact O-N 3.27Å; R685-N689 PolarHBondContact O-N 3.02Å; R685-N689 PolarHBondContact O-ND2 3.13Å; R685-D771 IonicContact CZ-OD1 3.94Å; R685-D771 IonicContact NE-OD1 3.33Å; R685-D771 PolarHBondContact NE-OD1 3.16Å; R685-D771 PolarHBondContact NH2-O 3.47Å; R685-D771 VanDerWaalsContact NH2-O 3.12Å; R685-D771 IonicContact NH2-OD1 3.89Å; R685-D771 PolarHBondContact NH2-OD1 2.96Å; R685-V772 VanDerWaalsContact CZ-O 3.3Å; R685-V772 PolarHBondContact NH1-O 3.4Å; R685-V772 PolarHBondContact NH2-O 3.46Å; R685-L773 VanDerWaalsContact NH2-N 3.17Å
686	L	92.9	Very high	94.8	Very high	63 Å²	63	38.5 Å²	38.5	33%	0.33	18%	0.183	S	C	.	.	H	α-helix	trans	-63.8	-44.2	174.4	-73.5	173.9	0	0	0	111.4	Q682 V683 A688 N689 D690	Q682-L686 WeakPolarHBondContact O-CG 3.38Å; Q682-L686 PolarHBondContact O-N 3.4Å; V683-L686 PolarHBondContact O-N 3.35Å; L686-A688 VanDerWaalsContact C-N 3.34Å; L686-A688 PolarHBondContact O-N 3.15Å; L686-N689 WeakPolarHBondContact O-CB 3.25Å; L686-N689 PolarHBondContact O-N 3.42Å; L686-D690 PolarHBondContact O-N 3.42Å
687	T	94.6	Very high	94.8	Very high	16 Å²	16	40 Å²	40	10%	0.098	20%	0.196	C	C	.	.	H	α-helix	trans	-64.4	-38.6	178.2	-57.5	0	0	0	0	112	Y524 V683 T684 N689 D690 I691	Y524-T687 HydrophobicContact CD2-CG2 3.76Å; Y524-T687 HydrophobicContact CE2-CG2 3.31Å; V683-T687 WeakPolarHBondContact O-CB 3.3Å; V683-T687 PolarHBondContact O-N 2.9Å; V683-T687 PolarHBondContact O-OG1 3.48Å; T684-T687 PolarHBondContact O-N 3.44Å; T687-N689 VanDerWaalsContact C-N 3.27Å; T687-N689 PolarHBondContact O-N 3.18Å; T687-D690 PolarHBondContact O-N 3Å; T687-D690 VanDerWaalsContact O-N 3.12Å; T687-I691 HydrophobicContact CG2-CD1 4.23Å; T687-I691 WeakPolarHBondContact O-CG1 3.08Å; T687-I691 PolarHBondContact O-N 2.67Å
688	A	94.8	Very high	94.6	Very high	3 Å²	3	40.1 Å²	40.1	3%	0.025	20%	0.196	C	C	.	.	H	α-helix	trans	-58	-40.7	173.8	0	0	0	0	0	111.6	T684 R685 L686 D690 I691 Y692 W761	T684-A688 WeakPolarHBondContact O-CB 3.21Å; T684-A688 PolarHBondContact O-N 2.93Å; R685-A688 PolarHBondContact O-N 3.27Å; L686-A688 VanDerWaalsContact C-N 3.34Å; L686-A688 PolarHBondContact O-N 3.15Å; A688-D690 PolarHBondContact O-N 2.96Å; A688-I691 PolarHBondContact O-N 2.94Å; A688-Y692 VanDerWaalsContact O-CD2 3.29Å; A688-Y692 WeakPolarHBondContact O-CD2 3.46Å; A688-Y692 PolarHBondContact O-N 3.37Å; A688-W761 HydrophobicContact CB-CH2 4.37Å; A688-W761 HydrophobicContact CB-CZ2 3.9Å
689	N	92.8	Very high	94.5	Very high	46 Å²	46	40 Å²	40	25%	0.246	20%	0.196	C	C	.	.	H	α-helix	trans	-63.1	-41.1	175.1	-66.6	-35.5	0	0	0	112.4	R685 L686 T687 I691 Y692 A693	R685-N689 PolarHBondContact O-N 3.02Å; R685-N689 PolarHBondContact O-ND2 3.13Å; L686-N689 WeakPolarHBondContact O-CB 3.25Å; L686-N689 PolarHBondContact O-N 3.42Å; T687-N689 VanDerWaalsContact C-N 3.27Å; T687-N689 PolarHBondContact O-N 3.18Å; N689-I691 VanDerWaalsContact C-N 3.34Å; N689-Y692 PolarHBondContact O-N 3.27Å; N689-A693 VanDerWaalsContact O-CB 3.31Å; N689-A693 WeakPolarHBondContact O-CB 3.06Å; N689-A693 PolarHBondContact O-N 2.93Å
690	D	95.3	Very high	94.4	Very high	33 Å²	33	41.5 Å²	41.5	18%	0.176	20%	0.204	C	C	.	.	H	α-helix	trans	-65.1	-38.8	177.2	-65.3	-31.5	0	0	0	110.9	P523 L686 T687 A688 A693 E694 R776	P523-D690 VanDerWaalsContact CB-O 3.31Å; P523-D690 WeakPolarHBondContact CB-O 3.4Å; L686-D690 PolarHBondContact O-N 3.42Å; T687-D690 PolarHBondContact O-N 3Å; T687-D690 VanDerWaalsContact O-N 3.12Å; A688-D690 PolarHBondContact O-N 2.96Å; D690-A693 PolarHBondContact O-N 3.15Å; D690-E694 PolarHBondContact O-N 3.09Å; D690-R776 IonicContact OD1-NH2 3.18Å; D690-R776 PolarHBondContact OD1-NH2 3.46Å
691	I	95.1	Very high	94.2	Very high	30 Å²	30	36.2 Å²	36.2	15%	0.154	19%	0.187	C	C	.	.	H	α-helix	trans	-60.7	-51.5	174	-67.4	165.8	0	0	0	111	Y524 T687 A688 N689 A693 E694 F695	Y524-I691 HydrophobicContact CD1-CG1 3.73Å; Y524-I691 HydrophobicContact CD2-CD1 4.12Å; Y524-I691 HydrophobicContact CD2-CG1 3.41Å; Y524-I691 VanDerWaalsContact CD2-CG1 3.41Å; Y524-I691 HydrophobicContact CE1-CD1 4.25Å; Y524-I691 HydrophobicContact CE1-CG1 3.93Å; Y524-I691 HydrophobicContact CE2-CD1 3.81Å; Y524-I691 HydrophobicContact CE2-CG1 3.63Å; Y524-I691 HydrophobicContact CG-CB 4.47Å; Y524-I691 HydrophobicContact CG-CD1 4.47Å; Y524-I691 HydrophobicContact CG-CG1 3.45Å; Y524-I691 VanDerWaalsContact CG-CG1 3.45Å; T687-I691 HydrophobicContact CG2-CD1 4.23Å; T687-I691 WeakPolarHBondContact O-CG1 3.08Å; T687-I691 PolarHBondContact O-N 2.67Å; A688-I691 PolarHBondContact O-N 2.94Å; N689-I691 VanDerWaalsContact C-N 3.34Å; I691-A693 VanDerWaalsContact C-N 3.33Å; I691-A693 PolarHBondContact O-N 2.79Å; I691-E694 WeakPolarHBondContact O-CB 3.35Å; I691-E694 PolarHBondContact O-N 3.31Å; I691-E694 VanDerWaalsContact O-N 3.14Å; I691-F695 HydrophobicContact CG2-CD2 3.92Å; I691-F695 HydrophobicContact CG2-CE2 3.47Å; I691-F695 VanDerWaalsContact CG2-CE2 3.47Å; I691-F695 HydrophobicContact CG2-CZ 4.03Å; I691-F695 PolarHBondContact O-N 2.97Å
692	Y	94.9	Very high	94.1	Very high	9 Å²	9	35.2 Å²	35.2	4%	0.035	18%	0.184	C	C	.	.	H	α-helix	trans	-67.2	-33.2	179.8	-83.5	-80.3	0	0	0	112.7	A688 N689 E694 F695 W696 M712 V721 Q725	A688-Y692 VanDerWaalsContact O-CD2 3.29Å; A688-Y692 WeakPolarHBondContact O-CD2 3.46Å; A688-Y692 PolarHBondContact O-N 3.37Å; N689-Y692 PolarHBondContact O-N 3.27Å; Y692-E694 PolarHBondContact O-N 2.85Å; Y692-F695 HydrophobicContact CD1-CD2 4.32Å; Y692-F695 PolarHBondContact O-N 3.5Å; Y692-W696 HydrophobicContact CD1-CZ2 4.28Å; Y692-W696 AromaticContact CD1-NE1 4Å; Y692-W696 HydrophobicContact CG-CZ2 4.32Å; Y692-W696 VanDerWaalsContact O-CB 3.32Å; Y692-W696 WeakPolarHBondContact O-CB 3.13Å; Y692-W696 VanDerWaalsContact O-CD2 3.23Å; Y692-W696 PolarHBondContact O-N 3.38Å; Y692-M712 WeakPolarHBondContact CD1-O 3.45Å; Y692-M712 HydrophobicContact CE1-CG 3.84Å; Y692-V721 HydrophobicContact CD1-CG2 3.8Å; Y692-V721 HydrophobicContact CD2-CG1 3.74Å; Y692-V721 HydrophobicContact CD2-CG2 4.19Å; Y692-V721 HydrophobicContact CE1-CB 4.49Å; Y692-V721 HydrophobicContact CE1-CG1 4.47Å; Y692-V721 HydrophobicContact CE1-CG2 3.73Å; Y692-V721 HydrophobicContact CE2-CB 4.26Å; Y692-V721 HydrophobicContact CE2-CG1 3.41Å; Y692-V721 VanDerWaalsContact CE2-CG1 3.41Å; Y692-V721 HydrophobicContact CE2-CG2 4.15Å; Y692-V721 HydrophobicContact CG-CG1 4.41Å; Y692-V721 HydrophobicContact CG-CG2 4.04Å; Y692-Q725 HydrophobicContact CE2-CG 4.12Å; Y692-Q725 VanDerWaalsContact CE2-NE2 3.29Å; Y692-Q725 PolarHBondContact OH-NE2 3.01Å
693	A	94.8	Very high	94.1	Very high	37 Å²	37	30.5 Å²	30.5	31%	0.306	16%	0.161	S	C	.	.	H	α-helix	trans	-58.4	-36.3	173.2	0	0	0	0	0	111.6	P523 N689 D690 I691 A697	P523-A693 HydrophobicContact CB-CB 4.18Å; P523-A693 HydrophobicContact CG-CB 4.37Å; N689-A693 VanDerWaalsContact O-CB 3.31Å; N689-A693 WeakPolarHBondContact O-CB 3.06Å; N689-A693 PolarHBondContact O-N 2.93Å; D690-A693 PolarHBondContact O-N 3.15Å; I691-A693 VanDerWaalsContact C-N 3.33Å; I691-A693 PolarHBondContact O-N 2.79Å; A693-A697 WeakPolarHBondContact O-CB 3.35Å; A693-A697 PolarHBondContact O-N 3.42Å; A693-A697 VanDerWaalsContact O-N 3.1Å
694	E	94.8	Very high	94.1	Very high	10 Å²	10	36.5 Å²	36.5	5%	0.047	19%	0.185	C	C	.	.	H	α-helix	trans	-71.6	-47	174.8	-157.8	170	128.4	0	0	112.3	P523 Y524 H525 H567 G569 D690 I691 Y692 W696 A697 E698	P523-E694 HydrophobicContact CB-CB 4.3Å; P523-E694 HydrophobicContact CG-CB 4.3Å; Y524-E694 PolarHBondContact N-OE2 3.02Å; H525-E694 IonicContact CE1-OE1 3.39Å; H525-E694 PolarHBondContact CE1-OE1 2.96Å; H525-E694 IonicContact CG-OE1 3.74Å; H525-E694 PolarHBondContact N-OE2 3.19Å; H525-E694 VanDerWaalsContact ND1-CD 3.34Å; H525-E694 IonicContact ND1-OE1 3.06Å; H525-E694 PolarHBondContact ND1-OE1 3.01Å; H525-E694 IonicContact ND1-OE2 3.7Å; H525-E694 PolarHBondContact ND1-OE2 2.8Å; H567-E694 IonicContact CE1-OE1 3.95Å; H567-E694 PolarHBondContact CE1-OE1 3.39Å; H567-E694 IonicContact ND1-OE1 3.66Å; G569-E694 VanDerWaalsContact CA-OE1 3.29Å; G569-E694 WeakPolarHBondContact CA-OE1 3.41Å; D690-E694 PolarHBondContact O-N 3.09Å; I691-E694 WeakPolarHBondContact O-CB 3.35Å; I691-E694 PolarHBondContact O-N 3.31Å; I691-E694 VanDerWaalsContact O-N 3.14Å; Y692-E694 PolarHBondContact O-N 2.85Å; E694-W696 VanDerWaalsContact C-N 3.28Å; E694-W696 PolarHBondContact O-N 3.11Å; E694-A697 WeakPolarHBondContact O-CB 3.43Å; E694-A697 PolarHBondContact O-N 3.34Å; E694-A697 VanDerWaalsContact O-N 3.13Å; E694-E698 PolarHBondContact O-N 3.16Å; E694-E698 VanDerWaalsContact O-N 3.1Å
695	F	95.1	Very high	93.9	Very high	56 Å²	56	40.7 Å²	40.7	25%	0.246	21%	0.207	C	C	.	.	H	α-helix	trans	-59.3	-38.1	175	-70.8	-33.5	0	0	0	113.2	I691 Y692 E698 G699 M712 M713	I691-F695 HydrophobicContact CG2-CD2 3.92Å; I691-F695 HydrophobicContact CG2-CE2 3.47Å; I691-F695 VanDerWaalsContact CG2-CE2 3.47Å; I691-F695 HydrophobicContact CG2-CZ 4.03Å; I691-F695 PolarHBondContact O-N 2.97Å; Y692-F695 HydrophobicContact CD1-CD2 4.32Å; Y692-F695 PolarHBondContact O-N 3.5Å; F695-E698 PolarHBondContact O-N 3.14Å; F695-G699 PolarHBondContact O-N 3.41Å; F695-M712 HydrophobicContact CD1-CE 4.11Å; F695-M712 HydrophobicContact CD2-CE 3.84Å; F695-M712 HydrophobicContact CD2-CG 3.92Å; F695-M712 HydrophobicContact CD2-SD 4.16Å; F695-M712 HydrophobicContact CE1-CE 3.88Å; F695-M712 HydrophobicContact CE2-CE 3.58Å; F695-M712 HydrophobicContact CE2-CG 4.17Å; F695-M712 HydrophobicContact CE2-SD 3.83Å; F695-M712 HydrophobicContact CG-CE 4.11Å; F695-M712 HydrophobicContact CZ-CE 3.62Å; F695-M712 HydrophobicContact CZ-SD 4.34Å; F695-M713 HydrophobicContact CB-CG 4.03Å; F695-M713 HydrophobicContact CD1-CE 4.37Å; F695-M713 WeakPolarHBondContact O-CB 3.25Å
696	W	95.4	Very high	93.8	Very high	48 Å²	48	42.7 Å²	42.7	18%	0.182	24%	0.237	C	C	.	.	H	α-helix	trans	-69.8	-36.2	176.4	-65.1	-21.6	0	0	0	112.2	Y692 E694 G699 D700 R715 K718 V721	Y692-W696 HydrophobicContact CD1-CZ2 4.28Å; Y692-W696 AromaticContact CD1-NE1 4Å; Y692-W696 HydrophobicContact CG-CZ2 4.32Å; Y692-W696 VanDerWaalsContact O-CB 3.32Å; Y692-W696 WeakPolarHBondContact O-CB 3.13Å; Y692-W696 VanDerWaalsContact O-CD2 3.23Å; Y692-W696 PolarHBondContact O-N 3.38Å; E694-W696 VanDerWaalsContact C-N 3.28Å; E694-W696 PolarHBondContact O-N 3.11Å; W696-G699 PolarHBondContact O-N 3.02Å; W696-D700 WeakPolarHBondContact O-CB 3.41Å; W696-D700 PolarHBondContact O-N 2.94Å; W696-R715 HydrophobicContact CB-CB 4.11Å; W696-R715 HydrophobicContact CD2-CB 3.98Å; W696-R715 HydrophobicContact CE3-CB 4.48Å; W696-R715 HydrophobicContact CG-CB 3.8Å; W696-K718 HydrophobicContact CH2-CB 4.14Å; W696-K718 HydrophobicContact CZ2-CB 3.94Å; W696-V721 HydrophobicContact CZ2-CG2 3.93Å
697	A	94.4	Very high	93.7	Very high	46 Å²	46	41.9 Å²	41.9	38%	0.38	23%	0.232	S	C	.	.	H	α-helix	trans	-61.5	-44.4	174.1	0	0	0	0	0	111.3	A693 E694 D700 E701	A693-A697 WeakPolarHBondContact O-CB 3.35Å; A693-A697 PolarHBondContact O-N 3.42Å; A693-A697 VanDerWaalsContact O-N 3.1Å; E694-A697 WeakPolarHBondContact O-CB 3.43Å; E694-A697 PolarHBondContact O-N 3.34Å; E694-A697 VanDerWaalsContact O-N 3.13Å; A697-D700 PolarHBondContact O-N 3.37Å; A697-E701 PolarHBondContact O-N 3.36Å
698	E	93.6	Very high	93.6	Very high	8 Å²	8	47.7 Å²	47.7	4%	0.037	26%	0.258	C	S	.	.	H	α-helix	trans	-60.5	-47.5	173	179.8	173.8	142.7	0	0	111.5	Y570 S571 Y574 E694 F695 D700 E701 M702 M713	Y570-E698 VanDerWaalsContact CA-OE2 3.3Å; Y570-E698 WeakPolarHBondContact CA-OE2 3.34Å; Y570-E698 HydrophobicContact CD1-CB 4.36Å; Y570-E698 HydrophobicContact CD1-CG 4.13Å; S571-E698 PolarHBondContact N-OE2 2.89Å; S571-E698 PolarHBondContact OG-OE1 3.36Å; S571-E698 PolarHBondContact OG-OE2 3.43Å; Y574-E698 HydrophobicContact CD2-CG 3.65Å; Y574-E698 HydrophobicContact CE2-CG 4.2Å; Y574-E698 HydrophobicContact CG-CG 4.22Å; E694-E698 PolarHBondContact O-N 3.16Å; E694-E698 VanDerWaalsContact O-N 3.1Å; F695-E698 PolarHBondContact O-N 3.14Å; E698-D700 VanDerWaalsContact C-N 3.32Å; E698-D700 PolarHBondContact O-N 2.92Å; E698-E701 PolarHBondContact O-N 3.45Å; E698-M702 HydrophobicContact CG-SD 4.45Å; E698-M702 WeakPolarHBondContact O-CG 3.24Å; E698-M702 PolarHBondContact O-N 2.88Å; E698-M702 VanDerWaalsContact O-N 3.07Å; E698-M713 WeakPolarHBondContact OE1-CE 3.29Å
699	G	94.8	Very high	93.6	Very high	0 Å²	0	48 Å²	48	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-63	-34.8	178.7	0	0	0	0	0	113.9	F695 W696 M702 K703	F695-G699 PolarHBondContact O-N 3.41Å; W696-G699 PolarHBondContact O-N 3.02Å; G699-M702 WeakPolarHBondContact O-CB 3.4Å; G699-M702 PolarHBondContact O-N 3.1Å; G699-K703 WeakPolarHBondContact O-CG 3.28Å; G699-K703 PolarHBondContact O-N 2.91Å
700	D	94.4	Very high	93.6	Very high	37 Å²	37	50.4 Å²	50.4	20%	0.198	27%	0.272	C	S	.	.	H	α-helix	trans	-66.1	-39.5	175.7	-70	-27.2	0	0	0	111.2	W696 A697 E698 K703 K704 R715	W696-D700 WeakPolarHBondContact O-CB 3.41Å; W696-D700 PolarHBondContact O-N 2.94Å; A697-D700 PolarHBondContact O-N 3.37Å; E698-D700 VanDerWaalsContact C-N 3.32Å; E698-D700 PolarHBondContact O-N 2.92Å; D700-K703 PolarHBondContact O-N 3.46Å; D700-K704 WeakPolarHBondContact O-CG 3.44Å; D700-K704 PolarHBondContact O-N 3.45Å; D700-K704 VanDerWaalsContact O-N 3.12Å; D700-R715 IonicContact OD1-NE 3.42Å; D700-R715 PolarHBondContact OD1-NE 2.93Å; D700-R715 VanDerWaalsContact OD1-NE 3.1Å; D700-R715 IonicContact OD2-CZ 2.64Å; D700-R715 IonicContact OD2-NE 3.02Å; D700-R715 PolarHBondContact OD2-NE 3.5Å; D700-R715 IonicContact OD2-NH2 3.05Å; D700-R715 PolarHBondContact OD2-NH2 3.45Å
701	E	92.9	Very high	93.4	Very high	64 Å²	64	51.8 Å²	51.8	30%	0.299	28%	0.282	S	S	.	.	H	α-helix	trans	-64.2	-40.3	172.5	-66.1	-53.8	137.1	0	0	111.7	Y570 A697 E698 K703 K704	Y570-E701 HydrophobicContact CE1-CG 4.39Å; A697-E701 PolarHBondContact O-N 3.36Å; E698-E701 PolarHBondContact O-N 3.45Å; E701-K703 VanDerWaalsContact C-N 3.33Å; E701-K703 PolarHBondContact O-N 3.46Å; E701-K704 VanDerWaalsContact CD-NZ 3.33Å; E701-K704 PolarHBondContact O-N 3.39Å; E701-K704 IonicContact OE1-NZ 3.74Å; E701-K704 PolarHBondContact OE1-NZ 2.9Å; E701-K704 WeakPolarHBondContact OE2-CD 3.45Å; E701-K704 IonicContact OE2-NZ 3.07Å; E701-K704 PolarHBondContact OE2-NZ 2.88Å
702	M	92.1	Very high	93.2	Very high	21 Å²	21	53.9 Å²	53.9	10%	0.103	29%	0.292	C	S	.	.	H	α-helix	trans	-61.4	-40.5	173.9	-65	173.8	65.2	0	0	112	Y574 E698 G699 K704 I705 G706 I707 P709 M713	Y574-M702 HydrophobicContact CD2-CG 4.09Å; Y574-M702 HydrophobicContact CD2-SD 4.47Å; Y574-M702 HydrophobicContact CE2-CG 3.91Å; E698-M702 HydrophobicContact CG-SD 4.45Å; E698-M702 WeakPolarHBondContact O-CG 3.24Å; E698-M702 PolarHBondContact O-N 2.88Å; E698-M702 VanDerWaalsContact O-N 3.07Å; G699-M702 WeakPolarHBondContact O-CB 3.4Å; G699-M702 PolarHBondContact O-N 3.1Å; M702-K704 PolarHBondContact O-N 2.85Å; M702-I705 WeakPolarHBondContact O-CG1 3.46Å; M702-I705 PolarHBondContact O-N 2.89Å; M702-G706 PolarHBondContact O-N 2.91Å; M702-I707 CarbonylContact C-O 3.26Å; M702-I707 VanDerWaalsContact C-O 3.26Å; M702-I707 HydrophobicContact CB-CB 4.28Å; M702-I707 HydrophobicContact CB-CG2 4.4Å; M702-I707 HydrophobicContact CE-CG2 3.63Å; M702-I707 WeakPolarHBondContact O-CB 3.44Å; M702-I707 PolarHBondContact O-N 2.83Å; M702-I707 VanDerWaalsContact O-O 3.12Å; M702-P709 HydrophobicContact SD-CB 4.47Å; M702-M713 HydrophobicContact SD-SD 4.48Å
703	K	93.3	Very high	93.1	Very high	56 Å²	56	54.4 Å²	54.4	24%	0.243	30%	0.295	C	S	.	.	H	α-helix	trans	-63.6	-39	176.8	-76	-178.2	178.8	176.6	0	112.3	G699 D700 E701 I705 G706 I707 P709 D714 D716	G699-K703 WeakPolarHBondContact O-CG 3.28Å; G699-K703 PolarHBondContact O-N 2.91Å; D700-K703 PolarHBondContact O-N 3.46Å; E701-K703 VanDerWaalsContact C-N 3.33Å; E701-K703 PolarHBondContact O-N 3.46Å; K703-I705 PolarHBondContact O-N 2.66Å; K703-G706 PolarHBondContact O-N 3.26Å; K703-I707 PolarHBondContact N-O 2.89Å; K703-P709 HydrophobicContact CD-CG 4.38Å; K703-P709 HydrophobicContact CG-CG 4.03Å; K703-D714 IonicContact NZ-OD1 3.97Å; K703-D714 PolarHBondContact NZ-OD1 2.88Å; K703-D714 IonicContact NZ-OD2 2.82Å; K703-D716 IonicContact NZ-OD2 2.77Å; K703-D716 PolarHBondContact NZ-OD2 2.92Å
704	K	93.2	Very high	93.1	Very high	148 Å²	148	52.9 Å²	52.9	64%	0.643	28%	0.282	S	S	*	.	H	α-helix	trans	-58.3	-30.9	179.9	-73.5	174	-170.6	172	0	113.4	D700 E701 M702	D700-K704 WeakPolarHBondContact O-CG 3.44Å; D700-K704 PolarHBondContact O-N 3.45Å; D700-K704 VanDerWaalsContact O-N 3.12Å; E701-K704 VanDerWaalsContact CD-NZ 3.33Å; E701-K704 PolarHBondContact O-N 3.39Å; E701-K704 IonicContact OE1-NZ 3.74Å; E701-K704 PolarHBondContact OE1-NZ 2.9Å; E701-K704 WeakPolarHBondContact OE2-CD 3.45Å; E701-K704 IonicContact OE2-NZ 3.07Å; E701-K704 PolarHBondContact OE2-NZ 2.88Å; M702-K704 PolarHBondContact O-N 2.85Å
705	I	90.1	Very high	93	Very high	95 Å²	95	58.3 Å²	58.3	49%	0.487	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.1	13	179	59.6	-175.3	0	0	0	112.7	F578 M702 K703 I707	F578-I705 HydrophobicContact CD1-CD1 3.97Å; F578-I705 HydrophobicContact CE1-CD1 3.11Å; F578-I705 HydrophobicContact CE1-CG1 4.44Å; F578-I705 HydrophobicContact CE2-CD1 4.26Å; F578-I705 HydrophobicContact CZ-CD1 3.3Å; M702-I705 WeakPolarHBondContact O-CG1 3.46Å; M702-I705 PolarHBondContact O-N 2.89Å; K703-I705 PolarHBondContact O-N 2.66Å; I705-I707 HydrophobicContact CD1-CD1 3.98Å; I705-I707 HydrophobicContact CG1-CD1 4.1Å; I705-I707 HydrophobicContact CG1-CG1 4.37Å
706	G	90.7	Very high	92.8	Very high	71 Å²	71	61.3 Å²	61.3	73%	0.732	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.5	17.8	173.3	0	0	0	0	0	115.2	M702 K703	M702-G706 PolarHBondContact O-N 2.91Å; K703-G706 PolarHBondContact O-N 3.26Å
707	I	91.8	Very high	92.7	Very high	45 Å²	45	62.5 Å²	62.5	23%	0.231	33%	0.327	C	S	.	.	P	Polyproline II helix	trans	-100.1	125.7	176.7	-64.3	167	0	0	0	109.2	F578 M702 K703 I705 P709	F578-I707 HydrophobicContact CE1-CD1 3.78Å; F578-I707 HydrophobicContact CZ-CD1 3.58Å; M702-I707 CarbonylContact C-O 3.26Å; M702-I707 VanDerWaalsContact C-O 3.26Å; M702-I707 HydrophobicContact CB-CB 4.28Å; M702-I707 HydrophobicContact CB-CG2 4.4Å; M702-I707 HydrophobicContact CE-CG2 3.63Å; M702-I707 WeakPolarHBondContact O-CB 3.44Å; M702-I707 PolarHBondContact O-N 2.83Å; M702-I707 VanDerWaalsContact O-O 3.12Å; K703-I707 PolarHBondContact N-O 2.89Å; I705-I707 HydrophobicContact CD1-CD1 3.98Å; I705-I707 HydrophobicContact CG1-CD1 4.1Å; I705-I707 HydrophobicContact CG1-CG1 4.37Å; I707-P709 WeakPolarHBondContact O-CD 3.26Å
708	Q	92.4	Very high	92.4	Very high	139 Å²	139	66.4 Å²	66.4	65%	0.65	34%	0.336	S	S	*	.	P	Polyproline II helix	trans	-73.7	121.8	174.5	-169.2	67.9	25.7	0	0	110.2	D714	Q708-D714 PolarHBondContact NE2-OD2 2.83Å
709	P	93.4	Very high	92.2	Very high	8 Å²	8	72.5 Å²	72.5	5%	0.052	37%	0.368	C	S	.	.	P	Polyproline II helix	trans	-73.5	160.2	175.3	29.9	-33.7	0	0	0	111.7	M702 K703 I707 M713 D714	M702-P709 HydrophobicContact SD-CB 4.47Å; K703-P709 HydrophobicContact CD-CG 4.38Å; K703-P709 HydrophobicContact CG-CG 4.03Å; I707-P709 WeakPolarHBondContact O-CD 3.26Å; P709-M713 HydrophobicContact CB-CB 3.95Å; P709-D714 HydrophobicContact CG-CB 4.12Å
710	I	92.5	Very high	92.1	Very high	98 Å²	98	76.8 Å²	76.8	50%	0.503	39%	0.389	S	S	.	.	P	Polyproline II helix	trans	-68.8	157.4	170.8	58.9	170.3	0	0	0	110.6	M712 M713 D714	I710-M712 HydrophobicContact CD1-CB 4.33Å; I710-M712 HydrophobicContact CG1-CB 4.49Å; I710-M712 PolarHBondContact O-N 3.02Å; I710-M712 VanDerWaalsContact O-N 3.07Å; I710-M713 HydrophobicContact CD1-SD 4.17Å; I710-M713 HydrophobicContact CG1-CB 4.22Å; I710-M713 HydrophobicContact CG1-CG 4.06Å; I710-M713 HydrophobicContact CG1-SD 3.85Å; I710-M713 PolarHBondContact O-N 2.69Å; I710-D714 PolarHBondContact O-N 3.46Å
711	P	91.3	Very high	91.9	Very high	62 Å²	62	75.8 Å²	75.8	40%	0.403	38%	0.384	S	S	.	.	G	3₁₀ helix	trans	-47.6	-41	-177.9	-34.4	38.9	0	0	0	115.8	M713 D714 K717	P711-M713 PolarHBondContact O-N 2.87Å; P711-D714 PolarHBondContact O-N 3.5Å; P711-D714 VanDerWaalsContact O-N 3.14Å; P711-K717 HydrophobicContact CB-CD 3.8Å; P711-K717 HydrophobicContact CG-CD 4.07Å
712	M	91.6	Very high	92	Very high	74 Å²	74	73.4 Å²	73.4	37%	0.365	37%	0.374	S	S	.	.	G	3₁₀ helix	trans	-61.5	-30.2	179.1	-171.8	-179	81.8	0	0	113.6	Y692 F695 I710	Y692-M712 WeakPolarHBondContact CD1-O 3.45Å; Y692-M712 HydrophobicContact CE1-CG 3.84Å; F695-M712 HydrophobicContact CD1-CE 4.11Å; F695-M712 HydrophobicContact CD2-CE 3.84Å; F695-M712 HydrophobicContact CD2-CG 3.92Å; F695-M712 HydrophobicContact CD2-SD 4.16Å; F695-M712 HydrophobicContact CE1-CE 3.88Å; F695-M712 HydrophobicContact CE2-CE 3.58Å; F695-M712 HydrophobicContact CE2-CG 4.17Å; F695-M712 HydrophobicContact CE2-SD 3.83Å; F695-M712 HydrophobicContact CG-CE 4.11Å; F695-M712 HydrophobicContact CZ-CE 3.62Å; F695-M712 HydrophobicContact CZ-SD 4.34Å; I710-M712 HydrophobicContact CD1-CB 4.33Å; I710-M712 HydrophobicContact CG1-CB 4.49Å; I710-M712 PolarHBondContact O-N 3.02Å; I710-M712 VanDerWaalsContact O-N 3.07Å
713	M	93.3	Very high	92.1	Very high	19 Å²	19	77.7 Å²	77.7	9%	0.094	39%	0.393	C	S	.	.	G	3₁₀ helix	trans	-100.3	1.3	-179.3	-67.6	168.6	169.1	0	0	112.1	F695 E698 M702 P709 I710 P711	F695-M713 HydrophobicContact CB-CG 4.03Å; F695-M713 HydrophobicContact CD1-CE 4.37Å; F695-M713 WeakPolarHBondContact O-CB 3.25Å; E698-M713 WeakPolarHBondContact OE1-CE 3.29Å; M702-M713 HydrophobicContact SD-SD 4.48Å; P709-M713 HydrophobicContact CB-CB 3.95Å; I710-M713 HydrophobicContact CD1-SD 4.17Å; I710-M713 HydrophobicContact CG1-CB 4.22Å; I710-M713 HydrophobicContact CG1-CG 4.06Å; I710-M713 HydrophobicContact CG1-SD 3.85Å; I710-M713 PolarHBondContact O-N 2.69Å; P711-M713 PolarHBondContact O-N 2.87Å
714	D	93.4	Very high	92.1	Very high	6 Å²	6	76.7 Å²	76.7	3%	0.032	40%	0.399	C	S	.	.			trans	-99	108.5	-178.6	-165	-19.7	0	0	0	111	K703 Q708 P709 I710 P711 D716 K717	K703-D714 IonicContact NZ-OD1 3.97Å; K703-D714 PolarHBondContact NZ-OD1 2.88Å; K703-D714 IonicContact NZ-OD2 2.82Å; Q708-D714 PolarHBondContact NE2-OD2 2.83Å; P709-D714 HydrophobicContact CG-CB 4.12Å; I710-D714 PolarHBondContact O-N 3.46Å; P711-D714 PolarHBondContact O-N 3.5Å; P711-D714 VanDerWaalsContact O-N 3.14Å; D714-D716 PolarHBondContact O-N 3.11Å; D714-D716 VanDerWaalsContact O-N 3.11Å; D714-D716 WeakPolarHBondContact OD1-CB 3.17Å; D714-D716 PolarHBondContact OD1-N 2.9Å; D714-K717 HydrophobicContact CB-CB 4.31Å; D714-K717 HydrophobicContact CB-CD 4.05Å; D714-K717 HydrophobicContact CB-CG 4.29Å; D714-K717 PolarHBondContact O-N 2.88Å
715	R	93.3	Very high	92.2	Very high	123 Å²	123	70.5 Å²	70.5	46%	0.464	37%	0.372	S	S	.	.	G	3₁₀ helix	trans	-58.4	-23.7	177	61.8	165.2	57.9	-133.9	-6.5	114	W696 D700 K717 K718	W696-R715 HydrophobicContact CB-CB 4.11Å; W696-R715 HydrophobicContact CD2-CB 3.98Å; W696-R715 HydrophobicContact CE3-CB 4.48Å; W696-R715 HydrophobicContact CG-CB 3.8Å; D700-R715 IonicContact OD1-NE 3.42Å; D700-R715 PolarHBondContact OD1-NE 2.93Å; D700-R715 VanDerWaalsContact OD1-NE 3.1Å; D700-R715 IonicContact OD2-CZ 2.64Å; D700-R715 IonicContact OD2-NE 3.02Å; D700-R715 PolarHBondContact OD2-NE 3.5Å; D700-R715 IonicContact OD2-NH2 3.05Å; D700-R715 PolarHBondContact OD2-NH2 3.45Å; R715-K717 PolarHBondContact O-N 3.21Å; R715-K718 PolarHBondContact O-N 3.43Å
716	D	91.8	Very high	92.6	Very high	119 Å²	119	66.6 Å²	66.6	64%	0.636	35%	0.353	S	S	*	.	G	3₁₀ helix	trans	-75.9	-12.4	178.9	-57.7	-40.3	0	0	0	111.6	K703 D714	K703-D716 IonicContact NZ-OD2 2.77Å; K703-D716 PolarHBondContact NZ-OD2 2.92Å; D714-D716 PolarHBondContact O-N 3.11Å; D714-D716 VanDerWaalsContact O-N 3.11Å; D714-D716 WeakPolarHBondContact OD1-CB 3.17Å; D714-D716 PolarHBondContact OD1-N 2.9Å
717	K	92	Very high	92.9	Very high	74 Å²	74	64.7 Å²	64.7	32%	0.322	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-107.2	27.2	177.8	-67.4	174.4	147.6	-96.6	0	112.6	P711 D714 R715 D719 E720	P711-K717 HydrophobicContact CB-CD 3.8Å; P711-K717 HydrophobicContact CG-CD 4.07Å; D714-K717 HydrophobicContact CB-CB 4.31Å; D714-K717 HydrophobicContact CB-CD 4.05Å; D714-K717 HydrophobicContact CB-CG 4.29Å; D714-K717 PolarHBondContact O-N 2.88Å; R715-K717 PolarHBondContact O-N 3.21Å; K717-D719 PolarHBondContact O-N 3.14Å; K717-D719 VanDerWaalsContact O-N 3.07Å; K717-E720 HydrophobicContact CB-CG 4.5Å; K717-E720 IonicContact NZ-OE1 2.74Å; K717-E720 PolarHBondContact NZ-OE1 3.14Å; K717-E720 IonicContact NZ-OE2 3.55Å; K717-E720 PolarHBondContact NZ-OE2 3.09Å; K717-E720 WeakPolarHBondContact O-CB 3.41Å; K717-E720 PolarHBondContact O-N 2.74Å
718	K	89.6	Confident	93.1	Very high	127 Å²	127	65.3 Å²	65.3	55%	0.552	34%	0.335	S	S	*	.	G	3₁₀ helix	trans	-53.2	-30.1	179.3	67.4	171.7	-170.9	169.2	0	114	W696 R715 E720 V721	W696-K718 HydrophobicContact CH2-CB 4.14Å; W696-K718 HydrophobicContact CZ2-CB 3.94Å; R715-K718 PolarHBondContact O-N 3.43Å; K718-E720 PolarHBondContact O-N 3.37Å; K718-V721 VanDerWaalsContact O-CB 3.24Å; K718-V721 WeakPolarHBondContact O-CB 3.43Å; K718-V721 WeakPolarHBondContact O-CG2 3.48Å; K718-V721 PolarHBondContact O-N 2.77Å; K718-V721 VanDerWaalsContact O-N 3.11Å
719	D	89	Confident	93.4	Very high	136 Å²	136	58.7 Å²	58.7	73%	0.727	30%	0.304	S	S	*	.	G	3₁₀ helix	trans	-70	-15.8	-178.3	-55.6	-35.1	0	0	0	111.8	K717	K717-D719 PolarHBondContact O-N 3.14Å; K717-D719 VanDerWaalsContact O-N 3.07Å
720	E	91.7	Very high	93.6	Very high	91 Å²	91	62.2 Å²	62.2	43%	0.425	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	-85.7	-6.6	175.3	-59.7	179.3	-152.9	0	0	112.7	K717 K718 Q723 G724	K717-E720 HydrophobicContact CB-CG 4.5Å; K717-E720 IonicContact NZ-OE1 2.74Å; K717-E720 PolarHBondContact NZ-OE1 3.14Å; K717-E720 IonicContact NZ-OE2 3.55Å; K717-E720 PolarHBondContact NZ-OE2 3.09Å; K717-E720 WeakPolarHBondContact O-CB 3.41Å; K717-E720 PolarHBondContact O-N 2.74Å; K718-E720 PolarHBondContact O-N 3.37Å; E720-Q723 PolarHBondContact O-N 3.13Å; E720-G724 PolarHBondContact O-N 2.97Å
721	V	91.6	Very high	93.8	Very high	15 Å²	15	61.5 Å²	61.5	9%	0.091	33%	0.326	C	S	.	.	H	α-helix	trans	-55.8	-50.1	-177.9	164.7	0	0	0	0	113	Y692 W696 K718 Q723 G724 Q725	Y692-V721 HydrophobicContact CD1-CG2 3.8Å; Y692-V721 HydrophobicContact CD2-CG1 3.74Å; Y692-V721 HydrophobicContact CD2-CG2 4.19Å; Y692-V721 HydrophobicContact CE1-CB 4.49Å; Y692-V721 HydrophobicContact CE1-CG1 4.47Å; Y692-V721 HydrophobicContact CE1-CG2 3.73Å; Y692-V721 HydrophobicContact CE2-CB 4.26Å; Y692-V721 HydrophobicContact CE2-CG1 3.41Å; Y692-V721 VanDerWaalsContact CE2-CG1 3.41Å; Y692-V721 HydrophobicContact CE2-CG2 4.15Å; Y692-V721 HydrophobicContact CG-CG1 4.41Å; Y692-V721 HydrophobicContact CG-CG2 4.04Å; W696-V721 HydrophobicContact CZ2-CG2 3.93Å; K718-V721 VanDerWaalsContact O-CB 3.24Å; K718-V721 WeakPolarHBondContact O-CB 3.43Å; K718-V721 WeakPolarHBondContact O-CG2 3.48Å; K718-V721 PolarHBondContact O-N 2.77Å; K718-V721 VanDerWaalsContact O-N 3.11Å; V721-Q723 VanDerWaalsContact C-N 3.31Å; V721-Q723 PolarHBondContact O-N 2.9Å; V721-G724 PolarHBondContact O-N 3.5Å; V721-G724 VanDerWaalsContact O-N 3.11Å; V721-Q725 HydrophobicContact CG1-CG 4.44Å; V721-Q725 PolarHBondContact O-N 3.45Å
722	P	93.7	Very high	94.1	Very high	15 Å²	15	59 Å²	59	10%	0.097	31%	0.309	C	S	.	.	H	α-helix	trans	-58.7	-42.1	179.9	-26.1	36.6	0	0	0	112.7	G724 Q725 V726 W761 I764 V765	P722-G724 VanDerWaalsContact C-N 3.34Å; P722-G724 PolarHBondContact O-N 2.99Å; P722-Q725 PolarHBondContact O-N 2.95Å; P722-V726 WeakPolarHBondContact O-CG2 3.35Å; P722-V726 PolarHBondContact O-N 3.32Å; P722-W761 HydrophobicContact CB-CE3 3.91Å; P722-W761 HydrophobicContact CB-CZ3 4.09Å; P722-W761 HydrophobicContact CG-CE3 4.49Å; P722-W761 HydrophobicContact CG-CZ3 4.19Å; P722-I764 HydrophobicContact CB-CG2 3.81Å; P722-I764 HydrophobicContact CG-CG2 3.72Å; P722-V765 HydrophobicContact CB-CG2 3.67Å
723	Q	94	Very high	94.3	Very high	110 Å²	110	55.4 Å²	55.4	51%	0.514	29%	0.292	S	S	.	.	H	α-helix	trans	-66	-38	177.3	-176.7	59.8	60.6	0	0	111.9	E720 V721 V726 G727 V765	E720-Q723 PolarHBondContact O-N 3.13Å; V721-Q723 VanDerWaalsContact C-N 3.31Å; V721-Q723 PolarHBondContact O-N 2.9Å; Q723-V726 PolarHBondContact O-N 2.91Å; Q723-G727 PolarHBondContact O-N 3.33Å; Q723-V765 HydrophobicContact CB-CG2 4.49Å
724	G	93.8	Very high	94.6	Very high	35 Å²	35	55.8 Å²	55.8	36%	0.361	29%	0.294	S	S	.	.	H	α-helix	trans	-61.3	-43.2	172.8	0	0	0	0	0	112.5	E720 V721 P722 G727 F728	E720-G724 PolarHBondContact O-N 2.97Å; V721-G724 PolarHBondContact O-N 3.5Å; V721-G724 VanDerWaalsContact O-N 3.11Å; P722-G724 VanDerWaalsContact C-N 3.34Å; P722-G724 PolarHBondContact O-N 2.99Å; G724-G727 PolarHBondContact O-N 3.46Å; G724-F728 PolarHBondContact O-N 2.93Å
725	Q	96.1	Very high	94.8	Very high	18 Å²	18	57.3 Å²	57.3	8%	0.084	30%	0.304	C	S	.	.	H	α-helix	trans	-63	-46.9	175.5	-71.6	-65	-59.1	0	0	111.9	Y692 V721 P722 G727 F728 Y729 W761	Y692-Q725 HydrophobicContact CE2-CG 4.12Å; Y692-Q725 VanDerWaalsContact CE2-NE2 3.29Å; Y692-Q725 PolarHBondContact OH-NE2 3.01Å; V721-Q725 HydrophobicContact CG1-CG 4.44Å; V721-Q725 PolarHBondContact O-N 3.45Å; P722-Q725 PolarHBondContact O-N 2.95Å; Q725-G727 PolarHBondContact O-N 3.07Å; Q725-F728 PolarHBondContact O-N 3.29Å; Q725-F728 VanDerWaalsContact O-N 3.11Å; Q725-Y729 VanDerWaalsContact O-CD2 3.27Å; Q725-Y729 WeakPolarHBondContact O-CD2 3.5Å; Q725-Y729 PolarHBondContact O-N 3.25Å; Q725-W761 HydrophobicContact CB-CD2 3.73Å; Q725-W761 HydrophobicContact CB-CE3 4.19Å; Q725-W761 HydrophobicContact CB-CG 4Å; Q725-W761 HydrophobicContact CB-CZ2 4.2Å; Q725-W761 HydrophobicContact CG-CD2 4.21Å; Q725-W761 HydrophobicContact CG-CE3 4.49Å; Q725-W761 HydrophobicContact CG-CH2 4.09Å; Q725-W761 HydrophobicContact CG-CZ2 3.76Å; Q725-W761 HydrophobicContact CG-CZ3 4.44Å
726	V	97.2	Very high	95	Very high	13 Å²	13	51.5 Å²	51.5	8%	0.079	28%	0.282	C	S	.	.	H	α-helix	trans	-54.9	-42.1	173.7	172.2	0	0	0	0	111.3	P722 Q723 N730 L758 W761 E762 V765	P722-V726 WeakPolarHBondContact O-CG2 3.35Å; P722-V726 PolarHBondContact O-N 3.32Å; Q723-V726 PolarHBondContact O-N 2.91Å; V726-N730 WeakPolarHBondContact CG1-ND2 3.39Å; V726-N730 WeakPolarHBondContact O-CB 3.43Å; V726-N730 PolarHBondContact O-N 3.39Å; V726-N730 VanDerWaalsContact O-N 3.14Å; V726-N730 PolarHBondContact O-ND2 3.18Å; V726-L758 HydrophobicContact CB-CD1 4.43Å; V726-L758 HydrophobicContact CG1-CD1 4.12Å; V726-L758 HydrophobicContact CG2-CD1 4.38Å; V726-W761 HydrophobicContact CG2-CB 3.74Å; V726-E762 HydrophobicContact CG1-CG 4.25Å; V726-E762 HydrophobicContact CG2-CG 4.01Å; V726-V765 HydrophobicContact CG2-CG2 4.07Å
727	G	96.8	Very high	95.4	Very high	31 Å²	31	45.9 Å²	45.9	32%	0.32	25%	0.252	S	S	.	.	H	α-helix	trans	-60.6	-49.8	174.8	0	0	0	0	0	112.7	Q723 G724 Q725 Y729 N730 S731	Q723-G727 PolarHBondContact O-N 3.33Å; G724-G727 PolarHBondContact O-N 3.46Å; Q725-G727 PolarHBondContact O-N 3.07Å; G727-Y729 PolarHBondContact O-N 3.13Å; G727-N730 PolarHBondContact O-N 2.71Å; G727-S731 WeakPolarHBondContact O-CB 3.42Å; G727-S731 PolarHBondContact O-N 2.81Å; G727-S731 PolarHBondContact O-OG 3.49Å
728	F	97	Very high	95.6	Very high	59 Å²	59	44.3 Å²	44.3	26%	0.259	25%	0.248	S	C	.	.	H	α-helix	trans	-59.7	-44	178.9	178.8	-105.7	0	0	0	112.7	L674 V677 G724 Q725 N730 V732 A733	L674-F728 HydrophobicContact CD1-CZ 3.98Å; L674-F728 HydrophobicContact CD2-CE1 4.48Å; L674-F728 HydrophobicContact CD2-CZ 3.73Å; L674-F728 HydrophobicContact CG-CZ 4.43Å; V677-F728 HydrophobicContact CG1-CE1 4Å; G724-F728 PolarHBondContact O-N 2.93Å; Q725-F728 PolarHBondContact O-N 3.29Å; Q725-F728 VanDerWaalsContact O-N 3.11Å; F728-N730 PolarHBondContact O-N 3.22Å; F728-V732 HydrophobicContact CD2-CB 4.12Å; F728-V732 HydrophobicContact CD2-CG2 4.07Å; F728-V732 HydrophobicContact CE2-CB 3.81Å; F728-V732 HydrophobicContact CE2-CG1 3.96Å; F728-V732 HydrophobicContact CE2-CG2 4Å; F728-V732 HydrophobicContact CZ-CB 4.27Å; F728-V732 HydrophobicContact CZ-CG1 4.19Å; F728-V732 WeakPolarHBondContact O-CB 3.47Å; F728-V732 PolarHBondContact O-N 3.05Å; F728-A733 HydrophobicContact CE1-CB 4.43Å; F728-A733 PolarHBondContact O-N 3.34Å
729	Y	98.2	Very high	96	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	22%	0.224	C	C	.	.	I	π-helix	trans	-60.9	-47.4	177.9	-90	-108	0	0	0	111.8	V677 T684 Q725 G727 A733 I734 C754 N757 L758 W761	V677-Y729 VanDerWaalsContact CA-OH 3.31Å; V677-Y729 WeakPolarHBondContact CA-OH 3.29Å; V677-Y729 HydrophobicContact CB-CE1 3.91Å; V677-Y729 HydrophobicContact CB-CE2 4.16Å; V677-Y729 WeakPolarHBondContact CB-OH 3.44Å; V677-Y729 HydrophobicContact CG1-CE2 4.02Å; V677-Y729 PolarHBondContact O-OH 3.04Å; V677-Y729 VanDerWaalsContact O-OH 3.13Å; T684-Y729 VanDerWaalsContact CG2-OH 3.27Å; T684-Y729 WeakPolarHBondContact CG2-OH 3.46Å; Q725-Y729 VanDerWaalsContact O-CD2 3.27Å; Q725-Y729 WeakPolarHBondContact O-CD2 3.5Å; Q725-Y729 PolarHBondContact O-N 3.25Å; G727-Y729 PolarHBondContact O-N 3.13Å; Y729-A733 HydrophobicContact CD1-CB 4.45Å; Y729-A733 HydrophobicContact CG-CB 4.49Å; Y729-A733 PolarHBondContact O-N 3.21Å; Y729-I734 WeakPolarHBondContact O-CB 3.24Å; Y729-I734 VanDerWaalsContact O-CG1 3.31Å; Y729-I734 WeakPolarHBondContact O-CG1 3.36Å; Y729-I734 PolarHBondContact O-N 2.96Å; Y729-C754 WeakPolarHBondContact CD1-O 3.41Å; Y729-C754 VanDerWaalsContact CE1-O 3.3Å; Y729-C754 WeakPolarHBondContact CE1-O 3.27Å; Y729-N757 HydrophobicContact CE1-CB 3.89Å; Y729-N757 WeakPolarHBondContact OH-CB 3.45Å; Y729-L758 HydrophobicContact CD1-CB 3.81Å; Y729-L758 HydrophobicContact CE1-CB 4.45Å; Y729-L758 HydrophobicContact CG-CB 4.33Å; Y729-L758 HydrophobicContact CG-CD1 4.4Å; Y729-W761 AromaticContact CE2-CD1 3.72Å; Y729-W761 AromaticContact CE2-NE1 3.73Å
730	N	97.9	Very high	96.4	Very high	82 Å²	82	32 Å²	32	44%	0.439	19%	0.189	S	C	.	.	I	π-helix	trans	-69.5	-37.6	-178.1	-77.6	-53.3	0	0	0	113.1	V726 G727 F728 P735	V726-N730 WeakPolarHBondContact CG1-ND2 3.39Å; V726-N730 WeakPolarHBondContact O-CB 3.43Å; V726-N730 PolarHBondContact O-N 3.39Å; V726-N730 VanDerWaalsContact O-N 3.14Å; V726-N730 PolarHBondContact O-ND2 3.18Å; G727-N730 PolarHBondContact O-N 2.71Å; F728-N730 PolarHBondContact O-N 3.22Å; N730-P735 WeakPolarHBondContact O-CD 3.36Å
731	S	96.4	Very high	96.7	Very high	83 Å²	83	28.5 Å²	28.5	58%	0.58	17%	0.174	S	C	*	.	I	π-helix	trans	-87.9	-25.4	-174.9	-61.5	0	0	0	0	114.4	G727	G727-S731 WeakPolarHBondContact O-CB 3.42Å; G727-S731 PolarHBondContact O-N 2.81Å; G727-S731 PolarHBondContact O-OG 3.49Å
732	V	97	Very high	96.9	Very high	8 Å²	8	33.1 Å²	33.1	5%	0.048	20%	0.195	C	C	.	.	I	π-helix	trans	-128.5	-61	-172.5	-174.7	0	0	0	0	111.8	L634 Y637 F638 L674 F728 P735 C736	L634-V732 HydrophobicContact CD1-CG1 3.93Å; Y637-V732 HydrophobicContact CE1-CG1 4.06Å; Y637-V732 PolarHBondContact OH-O 3.19Å; F638-V732 HydrophobicContact CE1-CG2 4.28Å; F638-V732 HydrophobicContact CZ-CG2 4.14Å; L674-V732 HydrophobicContact CD1-CG1 3.74Å; F728-V732 HydrophobicContact CD2-CB 4.12Å; F728-V732 HydrophobicContact CD2-CG2 4.07Å; F728-V732 HydrophobicContact CE2-CB 3.81Å; F728-V732 HydrophobicContact CE2-CG1 3.96Å; F728-V732 HydrophobicContact CE2-CG2 4Å; F728-V732 HydrophobicContact CZ-CB 4.27Å; F728-V732 HydrophobicContact CZ-CG1 4.19Å; F728-V732 WeakPolarHBondContact O-CB 3.47Å; F728-V732 PolarHBondContact O-N 3.05Å; V732-P735 WeakPolarHBondContact O-CD 3.45Å; V732-C736 VanDerWaalsContact O-CB 3.26Å; V732-C736 WeakPolarHBondContact O-CB 3.34Å; V732-C736 PolarHBondContact O-N 3.07Å
733	A	97.6	Very high	96.9	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	20%	0.197	C	C	.	.	I	π-helix	trans	-65.5	-50.4	-168.7	0	0	0	0	0	113	V677 F728 Y729 C736 Y737	V677-A733 HydrophobicContact CG2-CB 3.92Å; F728-A733 HydrophobicContact CE1-CB 4.43Å; F728-A733 PolarHBondContact O-N 3.34Å; Y729-A733 HydrophobicContact CD1-CB 4.45Å; Y729-A733 HydrophobicContact CG-CB 4.49Å; Y729-A733 PolarHBondContact O-N 3.21Å; A733-C736 WeakPolarHBondContact O-CB 3.47Å; A733-C736 PolarHBondContact O-N 3.39Å; A733-Y737 WeakPolarHBondContact O-CD2 3.25Å; A733-Y737 PolarHBondContact O-N 3.4Å
734	I	98.3	Very high	97	Very high	27 Å²	27	28.7 Å²	28.7	14%	0.138	17%	0.174	C	C	.	.	H	α-helix	trans	-62.3	-49.1	-178.8	-66.2	-69.3	0	0	0	111.6	Y729 C736 Y737 T738 L751 C754 K755 L758	Y729-I734 WeakPolarHBondContact O-CB 3.24Å; Y729-I734 VanDerWaalsContact O-CG1 3.31Å; Y729-I734 WeakPolarHBondContact O-CG1 3.36Å; Y729-I734 PolarHBondContact O-N 2.96Å; I734-C736 VanDerWaalsContact C-N 3.32Å; I734-C736 PolarHBondContact O-N 3.31Å; I734-Y737 PolarHBondContact O-N 2.88Å; I734-T738 VanDerWaalsContact O-CB 3.28Å; I734-T738 WeakPolarHBondContact O-CB 3.41Å; I734-T738 PolarHBondContact O-N 3.2Å; I734-T738 PolarHBondContact O-OG1 3.44Å; I734-L751 HydrophobicContact CD1-CD1 4.38Å; I734-C754 HydrophobicContact CD1-CB 4.09Å; I734-K755 HydrophobicContact CD1-CB 4.45Å; I734-K755 HydrophobicContact CD1-CG 3.59Å; I734-L758 HydrophobicContact CD1-CD2 4.47Å; I734-L758 HydrophobicContact CG1-CD2 4.18Å
735	P	98.1	Very high	97	Very high	38 Å²	38	31 Å²	31	25%	0.247	18%	0.183	C	C	.	.	H	α-helix	trans	-55.5	-44.1	173.1	-27.7	35.1	0	0	0	113.3	H641 N730 V732 T738 T739	H641-P735 PolarHBondContact NE2-O 2.86Å; N730-P735 WeakPolarHBondContact O-CD 3.36Å; V732-P735 WeakPolarHBondContact O-CD 3.45Å; P735-T738 PolarHBondContact O-N 2.92Å; P735-T739 PolarHBondContact O-N 3.24Å; P735-T739 VanDerWaalsContact O-N 3.12Å; P735-T739 PolarHBondContact O-OG1 2.72Å
736	C	98.2	Very high	97	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-59.9	-53.6	179.3	-172.5	0	0	0	0	112.1	Y637 V732 A733 I734 T738 T739 L740	Y637-C736 HydrophobicContact CE2-CB 4.15Å; Y637-C736 WeakPolarHBondContact OH-CB 3.36Å; Y637-C736 PolarHBondContact OH-N 3.12Å; V732-C736 VanDerWaalsContact O-CB 3.26Å; V732-C736 WeakPolarHBondContact O-CB 3.34Å; V732-C736 PolarHBondContact O-N 3.07Å; A733-C736 WeakPolarHBondContact O-CB 3.47Å; A733-C736 PolarHBondContact O-N 3.39Å; I734-C736 VanDerWaalsContact C-N 3.32Å; I734-C736 PolarHBondContact O-N 3.31Å; C736-T738 VanDerWaalsContact C-N 3.3Å; C736-T738 PolarHBondContact O-N 2.98Å; C736-T739 PolarHBondContact O-N 3.48Å; C736-L740 WeakPolarHBondContact O-CB 3.39Å; C736-L740 PolarHBondContact O-N 3.41Å
737	Y	98.4	Very high	97	Very high	1 Å²	1	32.6 Å²	32.6	0%	0.004	19%	0.194	C	C	.	.	H	α-helix	trans	-71.7	-24.2	-179.3	-70.5	-66.1	0	0	0	113.4	A671 L674 C675 V677 T678 A733 I734 L740 S741 L750 C754	A671-Y737 HydrophobicContact CB-CD1 4.43Å; A671-Y737 HydrophobicContact CB-CE1 3.92Å; A671-Y737 PolarHBondContact O-OH 3.43Å; L674-Y737 PolarHBondContact O-OH 3.23Å; C675-Y737 WeakPolarHBondContact CA-OH 3.44Å; C675-Y737 PolarHBondContact N-OH 3.35Å; V677-Y737 HydrophobicContact CG2-CD2 4.37Å; V677-Y737 HydrophobicContact CG2-CE2 3.49Å; V677-Y737 VanDerWaalsContact CG2-CE2 3.49Å; T678-Y737 HydrophobicContact CG2-CD1 4.27Å; T678-Y737 HydrophobicContact CG2-CD2 3.94Å; T678-Y737 HydrophobicContact CG2-CE1 3.74Å; T678-Y737 HydrophobicContact CG2-CE2 3.37Å; T678-Y737 HydrophobicContact CG2-CG 4.37Å; T678-Y737 WeakPolarHBondContact CG2-OH 3.41Å; A733-Y737 WeakPolarHBondContact O-CD2 3.25Å; A733-Y737 PolarHBondContact O-N 3.4Å; I734-Y737 PolarHBondContact O-N 2.88Å; Y737-L740 HydrophobicContact CD1-CD2 3.92Å; Y737-L740 HydrophobicContact CE1-CD2 4.27Å; Y737-S741 VanDerWaalsContact O-CB 3.32Å; Y737-S741 WeakPolarHBondContact O-CB 3.49Å; Y737-S741 PolarHBondContact O-N 3.01Å; Y737-S741 PolarHBondContact O-OG 3.37Å; Y737-L750 HydrophobicContact CD1-CB 3.88Å; Y737-L750 HydrophobicContact CD1-CD1 4.47Å; Y737-L750 HydrophobicContact CE1-CB 4.13Å; Y737-L750 HydrophobicContact CE1-CD1 4.26Å; Y737-C754 HydrophobicContact CD2-CB 4.12Å
738	T	98.1	Very high	97	Very high	41 Å²	41	33.2 Å²	33.2	25%	0.252	19%	0.194	S	C	.	.	H	α-helix	trans	-63.6	-55	172.4	-60	0	0	0	0	109.6	I734 P735 C736 L740 S741 E742	I734-T738 VanDerWaalsContact O-CB 3.28Å; I734-T738 WeakPolarHBondContact O-CB 3.41Å; I734-T738 PolarHBondContact O-N 3.2Å; I734-T738 PolarHBondContact O-OG1 3.44Å; P735-T738 PolarHBondContact O-N 2.92Å; C736-T738 VanDerWaalsContact C-N 3.3Å; C736-T738 PolarHBondContact O-N 2.98Å; T738-L740 VanDerWaalsContact C-N 3.31Å; T738-L740 PolarHBondContact O-N 3.12Å; T738-S741 PolarHBondContact O-N 3.43Å; T738-S741 VanDerWaalsContact O-N 3.11Å; T738-S741 PolarHBondContact O-OG 2.93Å; T738-E742 WeakPolarHBondContact O-CG 3.5Å; T738-E742 PolarHBondContact O-N 2.97Å
739	T	97.5	Very high	97	Very high	5 Å²	5	33.3 Å²	33.3	3%	0.031	20%	0.2	C	C	.	.	H	α-helix	trans	-61.7	-38.1	177.3	-54.2	0	0	0	0	112.2	H641 L644 L648 L667 P735 C736 S741 E742 L743	H641-T739 PolarHBondContact NE2-OG1 3.09Å; L644-T739 HydrophobicContact CD2-CG2 4.33Å; L644-T739 HydrophobicContact CG-CG2 4.35Å; L648-T739 HydrophobicContact CD1-CG2 3.6Å; L667-T739 HydrophobicContact CD2-CG2 3.68Å; P735-T739 PolarHBondContact O-N 3.24Å; P735-T739 VanDerWaalsContact O-N 3.12Å; P735-T739 PolarHBondContact O-OG1 2.72Å; C736-T739 PolarHBondContact O-N 3.48Å; T739-S741 VanDerWaalsContact C-N 3.35Å; T739-S741 PolarHBondContact O-N 2.71Å; T739-E742 PolarHBondContact O-N 3.1Å; T739-L743 HydrophobicContact CG2-CD1 4.11Å; T739-L743 WeakPolarHBondContact O-CG 3.43Å; T739-L743 PolarHBondContact O-N 3.24Å
740	L	97.5	Very high	97	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-61.4	-42.6	174.6	-171.2	77	0	0	0	111.9	I540 L667 M668 A671 C736 Y737 T738 E742 L743 F744 S747 L750	I540-L740 HydrophobicContact CD1-CD2 4.1Å; L667-L740 HydrophobicContact CD2-CB 4.5Å; M668-L740 HydrophobicContact CG-CD1 3.96Å; A671-L740 HydrophobicContact CB-CD1 4.35Å; A671-L740 HydrophobicContact CB-CD2 3.89Å; C736-L740 WeakPolarHBondContact O-CB 3.39Å; C736-L740 PolarHBondContact O-N 3.41Å; Y737-L740 HydrophobicContact CD1-CD2 3.92Å; Y737-L740 HydrophobicContact CE1-CD2 4.27Å; T738-L740 VanDerWaalsContact C-N 3.31Å; T738-L740 PolarHBondContact O-N 3.12Å; L740-E742 VanDerWaalsContact C-N 3.34Å; L740-L743 PolarHBondContact O-N 3.4Å; L740-F744 HydrophobicContact CD1-CD2 3.77Å; L740-F744 HydrophobicContact CD1-CE2 4.11Å; L740-F744 HydrophobicContact CG-CD2 4.35Å; L740-F744 PolarHBondContact O-N 2.96Å; L740-S747 PolarHBondContact O-OG 3.5Å; L740-L750 HydrophobicContact CD2-CD1 4.11Å
741	S	97	Very high	97	Very high	17 Å²	17	30 Å²	30	12%	0.119	18%	0.183	C	C	.	.	H	α-helix	trans	-69.5	-30.5	179.5	72.7	0	0	0	0	113.3	Y737 T738 T739 F744 P745 S747	Y737-S741 VanDerWaalsContact O-CB 3.32Å; Y737-S741 WeakPolarHBondContact O-CB 3.49Å; Y737-S741 PolarHBondContact O-N 3.01Å; Y737-S741 PolarHBondContact O-OG 3.37Å; T738-S741 PolarHBondContact O-N 3.43Å; T738-S741 VanDerWaalsContact O-N 3.11Å; T738-S741 PolarHBondContact O-OG 2.93Å; T739-S741 VanDerWaalsContact C-N 3.35Å; T739-S741 PolarHBondContact O-N 2.71Å; S741-F744 CarbonylContact O-C 3.59Å; S741-F744 VanDerWaalsContact O-C 3.3Å; S741-P745 VanDerWaalsContact O-CA 3.27Å; S741-P745 WeakPolarHBondContact O-CA 3.36Å; S741-S747 WeakPolarHBondContact CA-OG 3.24Å
742	E	95.4	Very high	97.1	Very high	113 Å²	113	30.2 Å²	30.2	53%	0.528	18%	0.177	S	C	.	.	H	α-helix	trans	-69.8	-41.9	173.1	-71.2	173.3	-176.3	0	0	111.5	T738 T739 L740	T738-E742 WeakPolarHBondContact O-CG 3.5Å; T738-E742 PolarHBondContact O-N 2.97Å; T739-E742 PolarHBondContact O-N 3.1Å; L740-E742 VanDerWaalsContact C-N 3.34Å
743	L	94.6	Very high	97.1	Very high	26 Å²	26	30 Å²	30	14%	0.136	18%	0.177	C	C	.	.	H	α-helix	trans	-68.8	-43.4	175.7	-73.5	163.6	0	0	0	112.2	L644 L648 L653 V664 L667 T739 L740	L644-L743 HydrophobicContact CD2-CD1 3.94Å; L644-L743 HydrophobicContact CG-CD1 4.42Å; L648-L743 HydrophobicContact CD1-CD1 4.47Å; L648-L743 HydrophobicContact CD1-CD2 4.19Å; L648-L743 HydrophobicContact CD1-CG 4.05Å; L648-L743 HydrophobicContact CD2-CD2 3.76Å; L648-L743 HydrophobicContact CD2-CG 4.32Å; L648-L743 HydrophobicContact CG-CD2 4.35Å; L653-L743 HydrophobicContact CD2-CD2 3.31Å; V664-L743 HydrophobicContact CG2-CD1 4.47Å; V664-L743 HydrophobicContact CG2-CD2 4.31Å; L667-L743 HydrophobicContact CD2-CD1 3.5Å; L667-L743 VanDerWaalsContact CD2-CD1 3.5Å; T739-L743 HydrophobicContact CG2-CD1 4.11Å; T739-L743 WeakPolarHBondContact O-CG 3.43Å; T739-L743 PolarHBondContact O-N 3.24Å; L740-L743 PolarHBondContact O-N 3.4Å
744	F	95.3	Very high	97.1	Very high	5 Å²	5	30 Å²	30	2%	0.022	18%	0.177	C	C	.	.			trans	-130	87.1	-175.7	-50.3	-57.5	0	0	0	109.6	T544 I547 F548 V664 M668 L740 S741 P746 S747	T544-F744 HydrophobicContact CG2-CD1 3.63Å; T544-F744 HydrophobicContact CG2-CE1 4.07Å; T544-F744 HydrophobicContact CG2-CG 4.33Å; I547-F744 HydrophobicContact CD1-CD1 3.97Å; I547-F744 HydrophobicContact CD1-CE1 3.78Å; I547-F744 HydrophobicContact CG2-CE1 4.34Å; F548-F744 HydrophobicContact CE2-CE1 4.26Å; F548-F744 HydrophobicContact CE2-CZ 4.23Å; F548-F744 HydrophobicContact CZ-CE1 4.08Å; F548-F744 HydrophobicContact CZ-CE2 4.39Å; F548-F744 AromaticContact CZ-CZ 3.66Å; F548-F744 HydrophobicContact CZ-CZ 3.66Å; V664-F744 HydrophobicContact CG1-CE2 4.08Å; V664-F744 HydrophobicContact CG1-CZ 3.64Å; M668-F744 HydrophobicContact CE-CE2 4.43Å; M668-F744 HydrophobicContact CG-CE2 3.75Å; M668-F744 HydrophobicContact SD-CE2 3.63Å; M668-F744 HydrophobicContact SD-CZ 3.91Å; L740-F744 HydrophobicContact CD1-CD2 3.77Å; L740-F744 HydrophobicContact CD1-CE2 4.11Å; L740-F744 HydrophobicContact CG-CD2 4.35Å; L740-F744 PolarHBondContact O-N 2.96Å; S741-F744 CarbonylContact O-C 3.59Å; S741-F744 VanDerWaalsContact O-C 3.3Å; F744-P746 VanDerWaalsContact C-N 3.27Å; F744-P746 VanDerWaalsContact O-N 3.1Å; F744-S747 VanDerWaalsContact O-CB 3.31Å; F744-S747 WeakPolarHBondContact O-CB 3.46Å; F744-S747 PolarHBondContact O-N 3.05Å; F744-S747 PolarHBondContact O-OG 3.22Å
745	P	95.1	Very high	97.1	Very high	85 Å²	85	33.7 Å²	33.7	55%	0.552	19%	0.192	S	C	*	.	G	3₁₀ helix	trans	-50.6	-35.9	-180	-28.1	34.7	0	0	0	115.3	S741 S747 S748	S741-P745 VanDerWaalsContact O-CA 3.27Å; S741-P745 WeakPolarHBondContact O-CA 3.36Å; P745-S747 PolarHBondContact O-N 3.36Å; P745-S747 VanDerWaalsContact O-N 3.09Å; P745-S748 WeakPolarHBondContact O-CB 3.4Å; P745-S748 PolarHBondContact O-N 3.02Å; P745-S748 VanDerWaalsContact O-N 3.08Å; P745-S748 PolarHBondContact O-OG 3.44Å
746	P	95.8	Very high	97.1	Very high	61 Å²	61	37.9 Å²	37.9	40%	0.396	21%	0.208	S	C	.	.	G	3₁₀ helix	trans	-60.6	-16.2	174.5	-25.9	36.8	0	0	0	115.4	F475 K543 F744 P749	F475-P746 WeakPolarHBondContact CE2-O 3.49Å; K543-P746 HydrophobicContact CB-CB 3.91Å; K543-P746 WeakPolarHBondContact O-CG 3.38Å; F744-P746 VanDerWaalsContact C-N 3.27Å; F744-P746 VanDerWaalsContact O-N 3.1Å; P746-P749 WeakPolarHBondContact O-CD 3.35Å
747	S	96.3	Very high	97.1	Very high	2 Å²	2	38.1 Å²	38.1	1%	0.014	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-84.4	-4.6	176.6	75.4	0	0	0	0	114	L740 S741 F744 P745 P749 L750	L740-S747 PolarHBondContact O-OG 3.5Å; S741-S747 WeakPolarHBondContact CA-OG 3.24Å; F744-S747 VanDerWaalsContact O-CB 3.31Å; F744-S747 WeakPolarHBondContact O-CB 3.46Å; F744-S747 PolarHBondContact O-N 3.05Å; F744-S747 PolarHBondContact O-OG 3.22Å; P745-S747 PolarHBondContact O-N 3.36Å; P745-S747 VanDerWaalsContact O-N 3.09Å; S747-P749 VanDerWaalsContact C-N 3.26Å; S747-P749 WeakPolarHBondContact O-CD 3.38Å; S747-L750 VanDerWaalsContact O-CB 3.3Å; S747-L750 WeakPolarHBondContact O-CB 3.22Å; S747-L750 PolarHBondContact O-N 3.3Å
748	S	96.7	Very high	97.1	Very high	44 Å²	44	38.9 Å²	38.9	31%	0.308	21%	0.214	S	C	.	.	H	α-helix	trans	-47.7	-34.4	177.8	-59.7	0	0	0	0	115.8	P745 L750 L751 N752	P745-S748 WeakPolarHBondContact O-CB 3.4Å; P745-S748 PolarHBondContact O-N 3.02Å; P745-S748 VanDerWaalsContact O-N 3.08Å; P745-S748 PolarHBondContact O-OG 3.44Å; S748-L750 PolarHBondContact O-N 3.19Å; S748-L751 PolarHBondContact O-N 2.86Å; S748-L751 VanDerWaalsContact O-N 3.14Å; S748-N752 PolarHBondContact O-N 3.49Å; S748-N752 VanDerWaalsContact O-N 3.08Å
749	P	97.7	Very high	97	Very high	61 Å²	61	40.4 Å²	40.4	40%	0.396	22%	0.22	S	C	.	.	H	α-helix	trans	-58.6	-28.3	174.6	-26.5	36.6	0	0	0	114.5	F475 P746 S747 A753	F475-P749 HydrophobicContact CD2-CB 4.02Å; F475-P749 HydrophobicContact CD2-CG 4.31Å; F475-P749 HydrophobicContact CE2-CB 4.42Å; F475-P749 HydrophobicContact CE2-CG 4.3Å; P746-P749 WeakPolarHBondContact O-CD 3.35Å; S747-P749 VanDerWaalsContact C-N 3.26Å; S747-P749 WeakPolarHBondContact O-CD 3.38Å; P749-A753 WeakPolarHBondContact O-CB 3.43Å; P749-A753 PolarHBondContact O-N 3.36Å; P749-A753 VanDerWaalsContact O-N 3.07Å
750	L	97.9	Very high	97	Very high	1 Å²	1	42.6 Å²	42.6	1%	0.005	23%	0.23	C	C	.	.	H	α-helix	trans	-67.1	-44.4	175.2	-65.2	173.4	0	0	0	111.1	F475 I540 T678 Y737 L740 S747 S748 A753 C754	F475-L750 HydrophobicContact CB-CD2 3.77Å; F475-L750 HydrophobicContact CD1-CD1 4.07Å; F475-L750 HydrophobicContact CD1-CD2 3.72Å; F475-L750 HydrophobicContact CD1-CG 3.96Å; F475-L750 HydrophobicContact CD2-CD2 4.46Å; F475-L750 HydrophobicContact CD2-CG 4.33Å; F475-L750 HydrophobicContact CE1-CD1 3.92Å; F475-L750 HydrophobicContact CE1-CD2 4.4Å; F475-L750 HydrophobicContact CE1-CG 4.17Å; F475-L750 HydrophobicContact CG-CD2 3.76Å; F475-L750 HydrophobicContact CG-CG 4.05Å; F475-L750 HydrophobicContact CZ-CD1 4.34Å; F475-L750 HydrophobicContact CZ-CG 4.43Å; I540-L750 HydrophobicContact CD1-CD1 4.2Å; I540-L750 HydrophobicContact CG1-CD1 4.17Å; T678-L750 HydrophobicContact CG2-CB 4.18Å; T678-L750 HydrophobicContact CG2-CD2 4.31Å; T678-L750 WeakPolarHBondContact OG1-CD2 3.05Å; Y737-L750 HydrophobicContact CD1-CB 3.88Å; Y737-L750 HydrophobicContact CD1-CD1 4.47Å; Y737-L750 HydrophobicContact CE1-CB 4.13Å; Y737-L750 HydrophobicContact CE1-CD1 4.26Å; L740-L750 HydrophobicContact CD2-CD1 4.11Å; S747-L750 VanDerWaalsContact O-CB 3.3Å; S747-L750 WeakPolarHBondContact O-CB 3.22Å; S747-L750 PolarHBondContact O-N 3.3Å; S748-L750 PolarHBondContact O-N 3.19Å; L750-A753 PolarHBondContact O-N 2.86Å; L750-C754 WeakPolarHBondContact O-CB 3.48Å; L750-C754 PolarHBondContact O-N 3.42Å
751	L	98.3	Very high	96.9	Very high	13 Å²	13	42.8 Å²	42.8	7%	0.068	23%	0.231	C	C	.	.	H	α-helix	trans	-63.4	-42.2	176.4	177.8	61.1	0	0	0	111.7	I734 S748 C754 K755	I734-L751 HydrophobicContact CD1-CD1 4.38Å; S748-L751 PolarHBondContact O-N 2.86Å; S748-L751 VanDerWaalsContact O-N 3.14Å; L751-C754 WeakPolarHBondContact O-CB 3.48Å; L751-C754 PolarHBondContact O-N 3.07Å; L751-K755 HydrophobicContact CD1-CD 4.5Å; L751-K755 HydrophobicContact CD1-CG 4.49Å; L751-K755 HydrophobicContact CG-CD 4.39Å; L751-K755 WeakPolarHBondContact O-CG 3.29Å; L751-K755 PolarHBondContact O-N 3.08Å
752	N	98	Very high	96.8	Very high	86 Å²	86	44.9 Å²	44.9	46%	0.46	24%	0.239	S	C	.	.	H	α-helix	trans	-62.5	-47.8	178.4	-68.3	-17.2	0	0	0	111.1	S748 C754 K755 E756	S748-N752 PolarHBondContact O-N 3.49Å; S748-N752 VanDerWaalsContact O-N 3.08Å; N752-C754 VanDerWaalsContact C-N 3.3Å; N752-C754 PolarHBondContact O-N 3.4Å; N752-K755 PolarHBondContact O-N 3.14Å; N752-K755 VanDerWaalsContact O-N 3.14Å; N752-E756 WeakPolarHBondContact O-CG 3.43Å; N752-E756 PolarHBondContact O-N 3.44Å
753	A	97.7	Very high	96.8	Very high	5 Å²	5	41.4 Å²	41.4	4%	0.041	22%	0.222	C	C	.	.	H	α-helix	trans	-62.2	-37.8	176.2	0	0	0	0	0	112.3	Q476 T678 P749 L750 K755 E756 N757	Q476-A753 VanDerWaalsContact NE2-CB 3.28Å; T678-A753 VanDerWaalsContact O-CB 3.22Å; T678-A753 WeakPolarHBondContact O-CB 3.2Å; P749-A753 WeakPolarHBondContact O-CB 3.43Å; P749-A753 PolarHBondContact O-N 3.36Å; P749-A753 VanDerWaalsContact O-N 3.07Å; L750-A753 PolarHBondContact O-N 2.86Å; A753-K755 VanDerWaalsContact C-N 3.34Å; A753-K755 PolarHBondContact O-N 3.05Å; A753-E756 PolarHBondContact O-N 3.05Å; A753-N757 WeakPolarHBondContact O-CB 3.37Å; A753-N757 PolarHBondContact O-N 2.91Å; A753-N757 PolarHBondContact O-ND2 3.06Å
754	C	97.9	Very high	96.7	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-60.5	-42.1	174	-166.8	0	0	0	0	112	T678 Y729 I734 Y737 L750 L751 N752 L758	T678-C754 HydrophobicContact CG2-CB 4.26Å; Y729-C754 WeakPolarHBondContact CD1-O 3.41Å; Y729-C754 VanDerWaalsContact CE1-O 3.3Å; Y729-C754 WeakPolarHBondContact CE1-O 3.27Å; I734-C754 HydrophobicContact CD1-CB 4.09Å; Y737-C754 HydrophobicContact CD2-CB 4.12Å; L750-C754 WeakPolarHBondContact O-CB 3.48Å; L750-C754 PolarHBondContact O-N 3.42Å; L751-C754 WeakPolarHBondContact O-CB 3.48Å; L751-C754 PolarHBondContact O-N 3.07Å; N752-C754 VanDerWaalsContact C-N 3.3Å; N752-C754 PolarHBondContact O-N 3.4Å; C754-L758 PolarHBondContact O-N 2.97Å
755	K	98.3	Very high	96.5	Very high	103 Å²	103	43.9 Å²	43.9	45%	0.448	24%	0.238	S	C	.	.	H	α-helix	trans	-68.3	-38.9	176.3	-72.9	174.3	177.9	174.6	0	112.4	I734 L751 N752 A753 L758 N759	I734-K755 HydrophobicContact CD1-CB 4.45Å; I734-K755 HydrophobicContact CD1-CG 3.59Å; L751-K755 HydrophobicContact CD1-CD 4.5Å; L751-K755 HydrophobicContact CD1-CG 4.49Å; L751-K755 HydrophobicContact CG-CD 4.39Å; L751-K755 WeakPolarHBondContact O-CG 3.29Å; L751-K755 PolarHBondContact O-N 3.08Å; N752-K755 PolarHBondContact O-N 3.14Å; N752-K755 VanDerWaalsContact O-N 3.14Å; A753-K755 VanDerWaalsContact C-N 3.34Å; A753-K755 PolarHBondContact O-N 3.05Å; K755-L758 PolarHBondContact O-N 2.92Å; K755-N759 PolarHBondContact O-N 3.3Å; K755-N759 VanDerWaalsContact O-N 3.09Å
756	E	97.8	Very high	96.4	Very high	126 Å²	126	45.8 Å²	45.8	59%	0.589	23%	0.234	S	C	*	.	H	α-helix	trans	-62.1	-46.7	175.2	-72.8	170.2	-172.6	0	0	111.2	N752 A753 L758 N759 H760	N752-E756 WeakPolarHBondContact O-CG 3.43Å; N752-E756 PolarHBondContact O-N 3.44Å; A753-E756 PolarHBondContact O-N 3.05Å; E756-L758 PolarHBondContact O-N 2.83Å; E756-N759 WeakPolarHBondContact O-CB 3.35Å; E756-N759 PolarHBondContact O-N 2.89Å; E756-H760 PolarHBondContact O-CD2 2.96Å; E756-H760 PolarHBondContact O-N 2.9Å; E756-H760 VanDerWaalsContact O-N 3.16Å
757	N	97.8	Very high	95.9	Very high	6 Å²	6	46 Å²	46	3%	0.032	25%	0.248	C	C	.	.	H	α-helix	trans	-66.5	-34.4	176.9	-73	-30	0	0	0	112.9	V677 K679 W681 T684 Y729 A753 N759 H760 W761	V677-N757 PolarHBondContact O-ND2 3.35Å; K679-N757 PolarHBondContact O-ND2 2.8Å; W681-N757 WeakPolarHBondContact CA-OD1 3.49Å; W681-N757 HydrophobicContact CE3-CB 4.42Å; T684-N757 PolarHBondContact OG1-ND2 3.44Å; Y729-N757 HydrophobicContact CE1-CB 3.89Å; Y729-N757 WeakPolarHBondContact OH-CB 3.45Å; A753-N757 WeakPolarHBondContact O-CB 3.37Å; A753-N757 PolarHBondContact O-N 2.91Å; A753-N757 PolarHBondContact O-ND2 3.06Å; N757-N759 VanDerWaalsContact C-N 3.33Å; N757-H760 PolarHBondContact O-N 3.35Å; N757-W761 VanDerWaalsContact O-CD1 3.31Å; N757-W761 PolarHBondContact O-N 3.36Å; N757-W761 VanDerWaalsContact O-N 3.1Å
758	L	97.8	Very high	95	Very high	17 Å²	17	51.9 Å²	51.9	9%	0.089	28%	0.275	C	S	.	.	H	α-helix	trans	-59.5	-45.1	171	171.8	58.9	0	0	0	111	V726 Y729 I734 C754 K755 E756 H760 W761 E762	V726-L758 HydrophobicContact CB-CD1 4.43Å; V726-L758 HydrophobicContact CG1-CD1 4.12Å; V726-L758 HydrophobicContact CG2-CD1 4.38Å; Y729-L758 HydrophobicContact CD1-CB 3.81Å; Y729-L758 HydrophobicContact CE1-CB 4.45Å; Y729-L758 HydrophobicContact CG-CB 4.33Å; Y729-L758 HydrophobicContact CG-CD1 4.4Å; I734-L758 HydrophobicContact CD1-CD2 4.47Å; I734-L758 HydrophobicContact CG1-CD2 4.18Å; C754-L758 PolarHBondContact O-N 2.97Å; K755-L758 PolarHBondContact O-N 2.92Å; E756-L758 PolarHBondContact O-N 2.83Å; L758-H760 VanDerWaalsContact C-N 3.31Å; L758-H760 PolarHBondContact O-N 2.88Å; L758-W761 PolarHBondContact O-N 3.5Å; L758-W761 VanDerWaalsContact O-N 3.15Å; L758-E762 HydrophobicContact CD1-CG 4.05Å; L758-E762 HydrophobicContact CG-CG 4.43Å; L758-E762 WeakPolarHBondContact O-CG 3.5Å; L758-E762 PolarHBondContact O-N 3.39Å
759	N	97.3	Very high	94.1	Very high	73 Å²	73	52.8 Å²	52.8	39%	0.39	27%	0.274	S	S	.	.	H	α-helix	trans	-60.5	-40	178	-175.2	18.5	0	0	0	111.9	K755 E756 N757 E762 Q763	K755-N759 PolarHBondContact O-N 3.3Å; K755-N759 VanDerWaalsContact O-N 3.09Å; E756-N759 WeakPolarHBondContact O-CB 3.35Å; E756-N759 PolarHBondContact O-N 2.89Å; N757-N759 VanDerWaalsContact C-N 3.33Å; N759-E762 PolarHBondContact O-N 3.01Å; N759-Q763 PolarHBondContact ND2-NE2 2.98Å; N759-Q763 VanDerWaalsContact O-CG 3.27Å; N759-Q763 WeakPolarHBondContact O-CG 3.35Å; N759-Q763 PolarHBondContact O-N 3.07Å; N759-Q763 PolarHBondContact OD1-NE2 3.5Å
760	H	96.1	Very high	92.8	Very high	51 Å²	51	57.7 Å²	57.7	24%	0.236	29%	0.292	C	S	.	.	H	α-helix	trans	-59.7	-46.7	172.8	-79.1	-67.2	0	0	0	112.4	W681 E756 N757 L758 E762 Q763 I764 E769	W681-H760 HydrophobicContact CD2-CB 3.72Å; W681-H760 AromaticContact CD2-CG 3.78Å; W681-H760 AromaticContact CE2-CG 3.99Å; W681-H760 HydrophobicContact CE3-CB 3.62Å; W681-H760 HydrophobicContact CG-CB 4.49Å; W681-H760 AromaticContact CG-CD2 3.96Å; W681-H760 HydrophobicContact CH2-CB 3.73Å; W681-H760 HydrophobicContact CZ2-CB 3.8Å; W681-H760 HydrophobicContact CZ3-CB 3.61Å; E756-H760 PolarHBondContact O-CD2 2.96Å; E756-H760 PolarHBondContact O-N 2.9Å; E756-H760 VanDerWaalsContact O-N 3.16Å; N757-H760 PolarHBondContact O-N 3.35Å; L758-H760 VanDerWaalsContact C-N 3.31Å; L758-H760 PolarHBondContact O-N 2.88Å; H760-E762 VanDerWaalsContact C-N 3.32Å; H760-E762 PolarHBondContact O-N 3.39Å; H760-Q763 WeakPolarHBondContact O-CB 3.22Å; H760-Q763 PolarHBondContact O-N 3.43Å; H760-I764 PolarHBondContact O-N 3.2Å; H760-E769 IonicContact CE1-OE1 3.59Å; H760-E769 IonicContact CG-OE2 2.92Å; H760-E769 IonicContact ND1-OE1 3.27Å; H760-E769 PolarHBondContact ND1-OE1 3.48Å; H760-E769 IonicContact ND1-OE2 3.45Å; H760-E769 PolarHBondContact ND1-OE2 2.91Å
761	W	95.9	Very high	91.4	Very high	3 Å²	3	61.3 Å²	61.3	1%	0.011	31%	0.311	C	S	.	.	H	α-helix	trans	-60.6	-40.7	175.9	-78.3	121.8	0	0	0	112.7	W681 A688 P722 Q725 V726 Y729 N757 L758 I764 V765	W681-W761 AromaticContact CH2-CD2 3.72Å; W681-W761 HydrophobicContact CH2-CD2 3.72Å; W681-W761 AromaticContact CH2-CE2 3.69Å; W681-W761 HydrophobicContact CH2-CE3 4.08Å; W681-W761 HydrophobicContact CH2-CG 4.1Å; W681-W761 HydrophobicContact CH2-CH2 4.37Å; W681-W761 HydrophobicContact CH2-CZ2 4.04Å; W681-W761 HydrophobicContact CH2-CZ3 4.39Å; W681-W761 AromaticContact CZ3-CD1 3.87Å; W681-W761 HydrophobicContact CZ3-CD2 4.08Å; W681-W761 AromaticContact CZ3-CE2 3.76Å; W681-W761 HydrophobicContact CZ3-CG 4.14Å; W681-W761 HydrophobicContact CZ3-CZ2 4.29Å; W681-W761 AromaticContact CZ3-NE1 3.64Å; A688-W761 HydrophobicContact CB-CH2 4.37Å; A688-W761 HydrophobicContact CB-CZ2 3.9Å; P722-W761 HydrophobicContact CB-CE3 3.91Å; P722-W761 HydrophobicContact CB-CZ3 4.09Å; P722-W761 HydrophobicContact CG-CE3 4.49Å; P722-W761 HydrophobicContact CG-CZ3 4.19Å; Q725-W761 HydrophobicContact CB-CD2 3.73Å; Q725-W761 HydrophobicContact CB-CE3 4.19Å; Q725-W761 HydrophobicContact CB-CG 4Å; Q725-W761 HydrophobicContact CB-CZ2 4.2Å; Q725-W761 HydrophobicContact CG-CD2 4.21Å; Q725-W761 HydrophobicContact CG-CE3 4.49Å; Q725-W761 HydrophobicContact CG-CH2 4.09Å; Q725-W761 HydrophobicContact CG-CZ2 3.76Å; Q725-W761 HydrophobicContact CG-CZ3 4.44Å; V726-W761 HydrophobicContact CG2-CB 3.74Å; Y729-W761 AromaticContact CE2-CD1 3.72Å; Y729-W761 AromaticContact CE2-NE1 3.73Å; N757-W761 VanDerWaalsContact O-CD1 3.31Å; N757-W761 PolarHBondContact O-N 3.36Å; N757-W761 VanDerWaalsContact O-N 3.1Å; L758-W761 PolarHBondContact O-N 3.5Å; L758-W761 VanDerWaalsContact O-N 3.15Å; W761-I764 HydrophobicContact CE3-CD1 4.13Å; W761-I764 HydrophobicContact CZ3-CD1 4.22Å; W761-I764 PolarHBondContact O-N 3.08Å; W761-V765 WeakPolarHBondContact O-CG2 3.49Å; W761-V765 PolarHBondContact O-N 3.34Å
762	E	95.6	Very high	89.4	Confident	62 Å²	62	65 Å²	65	29%	0.29	33%	0.334	S	S	.	.	H	α-helix	trans	-66.5	-35.4	176.3	-67.7	179.5	166.3	0	0	112.7	V726 L758 N759 H760 V765 R766	V726-E762 HydrophobicContact CG1-CG 4.25Å; V726-E762 HydrophobicContact CG2-CG 4.01Å; L758-E762 HydrophobicContact CD1-CG 4.05Å; L758-E762 HydrophobicContact CG-CG 4.43Å; L758-E762 WeakPolarHBondContact O-CG 3.5Å; L758-E762 PolarHBondContact O-N 3.39Å; N759-E762 PolarHBondContact O-N 3.01Å; H760-E762 VanDerWaalsContact C-N 3.32Å; H760-E762 PolarHBondContact O-N 3.39Å; E762-V765 PolarHBondContact O-N 3.2Å; E762-R766 WeakPolarHBondContact O-CG 3.35Å; E762-R766 PolarHBondContact O-N 3.49Å; E762-R766 IonicContact OE2-NH1 2.9Å
763	Q	94.3	Very high	87.2	Confident	40 Å²	40	66 Å²	66	19%	0.187	34%	0.338	C	S	.	.	H	α-helix	trans	-64.4	-40.9	173.6	-72.9	171.3	27.8	0	0	111.5	N759 H760 R766 G767 E768 E769	N759-Q763 PolarHBondContact ND2-NE2 2.98Å; N759-Q763 VanDerWaalsContact O-CG 3.27Å; N759-Q763 WeakPolarHBondContact O-CG 3.35Å; N759-Q763 PolarHBondContact O-N 3.07Å; N759-Q763 PolarHBondContact OD1-NE2 3.5Å; H760-Q763 WeakPolarHBondContact O-CB 3.22Å; H760-Q763 PolarHBondContact O-N 3.43Å; Q763-R766 VanDerWaalsContact CG-NH2 3.25Å; Q763-R766 PolarHBondContact O-N 3.46Å; Q763-G767 PolarHBondContact O-N 2.69Å; Q763-G767 VanDerWaalsContact O-N 3.09Å; Q763-E768 HydrophobicContact CB-CB 4.2Å; Q763-E768 PolarHBondContact O-N 3.3Å; Q763-E769 HydrophobicContact CB-CB 4.43Å; Q763-E769 HydrophobicContact CB-CG 4.11Å; Q763-E769 PolarHBondContact OE1-OE1 3.45Å
764	I	93.1	Very high	84.6	Confident	21 Å²	21	69.4 Å²	69.4	11%	0.108	36%	0.361	C	S	.	.	H	α-helix	trans	-61.9	-45.6	173.5	-69.3	174.6	0	0	0	110.8	W681 P722 H760 W761 R766 G767 E769 D771	W681-I764 HydrophobicContact CH2-CD1 3.91Å; W681-I764 HydrophobicContact CZ2-CD1 3.55Å; P722-I764 HydrophobicContact CB-CG2 3.81Å; P722-I764 HydrophobicContact CG-CG2 3.72Å; H760-I764 PolarHBondContact O-N 3.2Å; W761-I764 HydrophobicContact CE3-CD1 4.13Å; W761-I764 HydrophobicContact CZ3-CD1 4.22Å; W761-I764 PolarHBondContact O-N 3.08Å; I764-R766 VanDerWaalsContact C-N 3.27Å; I764-R766 PolarHBondContact O-N 2.98Å; I764-G767 PolarHBondContact O-N 3.02Å; I764-E769 HydrophobicContact CG1-CB 4.01Å; I764-D771 HydrophobicContact CG2-CB 4.42Å
765	V	91.9	Very high	81.5	Confident	62 Å²	62	74.8 Å²	74.8	38%	0.376	40%	0.398	S	S	.	.	H	α-helix	trans	-61.6	-36.3	177.4	171.4	0	0	0	0	111.6	P722 Q723 V726 W761 E762 G767	P722-V765 HydrophobicContact CB-CG2 3.67Å; Q723-V765 HydrophobicContact CB-CG2 4.49Å; V726-V765 HydrophobicContact CG2-CG2 4.07Å; W761-V765 WeakPolarHBondContact O-CG2 3.49Å; W761-V765 PolarHBondContact O-N 3.34Å; E762-V765 PolarHBondContact O-N 3.2Å; V765-G767 VanDerWaalsContact C-N 3.25Å; V765-G767 PolarHBondContact O-N 3.38Å
766	R	91.6	Very high	78.6	Confident	125 Å²	125	77.7 Å²	77.7	47%	0.472	41%	0.406	S	S	.	.	H	α-helix	trans	-75.2	-9.6	174.9	-70.9	-170.6	-62	-92.2	-1.8	113.9	E762 Q763 I764 E768	E762-R766 WeakPolarHBondContact O-CG 3.35Å; E762-R766 PolarHBondContact O-N 3.49Å; E762-R766 IonicContact OE2-NH1 2.9Å; Q763-R766 VanDerWaalsContact CG-NH2 3.25Å; Q763-R766 PolarHBondContact O-N 3.46Å; I764-R766 VanDerWaalsContact C-N 3.27Å; I764-R766 PolarHBondContact O-N 2.98Å; R766-E768 VanDerWaalsContact C-N 3.31Å; R766-E768 HydrophobicContact CB-CG 3.95Å; R766-E768 IonicContact CZ-OE2 2.71Å; R766-E768 VanDerWaalsContact NE-CD 3.28Å; R766-E768 IonicContact NE-OE1 2.7Å; R766-E768 PolarHBondContact NE-OE1 2.92Å; R766-E768 IonicContact NE-OE2 2.91Å; R766-E768 PolarHBondContact NE-OE2 3.31Å; R766-E768 IonicContact NH2-OE2 3.79Å; R766-E768 PolarHBondContact NH2-OE2 2.96Å
767	G	85.8	Confident	75.5	Confident	66 Å²	66	77.4 Å²	77.4	68%	0.68	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	74	19.6	-174.8	0	0	0	0	0	114	Q763 I764 V765	Q763-G767 PolarHBondContact O-N 2.69Å; Q763-G767 VanDerWaalsContact O-N 3.09Å; I764-G767 PolarHBondContact O-N 3.02Å; V765-G767 VanDerWaalsContact C-N 3.25Å; V765-G767 PolarHBondContact O-N 3.38Å
768	E	78.6	Confident	72.3	Confident	124 Å²	124	82.8 Å²	82.8	58%	0.579	45%	0.453	S	S	*	.	S	Bend	trans	-83.8	-27.5	179.1	-67.1	168.6	176	0	0	112.1	Q763 R766	Q763-E768 HydrophobicContact CB-CB 4.2Å; Q763-E768 PolarHBondContact O-N 3.3Å; R766-E768 VanDerWaalsContact C-N 3.31Å; R766-E768 HydrophobicContact CB-CG 3.95Å; R766-E768 IonicContact CZ-OE2 2.71Å; R766-E768 VanDerWaalsContact NE-CD 3.28Å; R766-E768 IonicContact NE-OE1 2.7Å; R766-E768 PolarHBondContact NE-OE1 2.92Å; R766-E768 IonicContact NE-OE2 2.91Å; R766-E768 PolarHBondContact NE-OE2 3.31Å; R766-E768 IonicContact NH2-OE2 3.79Å; R766-E768 PolarHBondContact NH2-OE2 2.96Å
769	E	78	Confident	69.3	Low	63 Å²	63	90.2 Å²	90.2	29%	0.294	49%	0.487	S	S	.	.	S	Bend	trans	-119.9	133.6	170.6	-72.7	-170	152.6	0	0	109.4	H760 Q763 I764	H760-E769 IonicContact CE1-OE1 3.59Å; H760-E769 IonicContact CG-OE2 2.92Å; H760-E769 IonicContact ND1-OE1 3.27Å; H760-E769 PolarHBondContact ND1-OE1 3.48Å; H760-E769 IonicContact ND1-OE2 3.45Å; H760-E769 PolarHBondContact ND1-OE2 2.91Å; Q763-E769 HydrophobicContact CB-CB 4.43Å; Q763-E769 HydrophobicContact CB-CG 4.11Å; Q763-E769 PolarHBondContact OE1-OE1 3.45Å; I764-E769 HydrophobicContact CG1-CB 4.01Å
770	E	69.6	Low	66.3	Low	165 Å²	165	92.1 Å²	92.1	77%	0.771	51%	0.506	S	S	*	.			trans	-77.1	138.7	171.7	-66.2	-172.2	159.4	0	0	110.6	V772	E770-V772 HydrophobicContact CB-CG2 3.66Å; E770-V772 PolarHBondContact O-N 3.18Å; E770-V772 WeakPolarHBondContact OE2-CG2 3.34Å
771	D	68	Low	63.1	Low	77 Å²	77	92.4 Å²	92.4	41%	0.412	52%	0.523	S	S	.	.			trans	-75.4	56.9	171.1	-168.2	22.4	0	0	0	111.4	R685 I764 L773	R685-D771 IonicContact CZ-OD1 3.94Å; R685-D771 IonicContact NE-OD1 3.33Å; R685-D771 PolarHBondContact NE-OD1 3.16Å; R685-D771 PolarHBondContact NH2-O 3.47Å; R685-D771 VanDerWaalsContact NH2-O 3.12Å; R685-D771 IonicContact NH2-OD1 3.89Å; R685-D771 PolarHBondContact NH2-OD1 2.96Å; I764-D771 HydrophobicContact CG2-CB 4.42Å; D771-L773 PolarHBondContact O-N 3.36Å
772	V	56.6	Low	60.1	Low	90 Å²	90	98.4 Å²	98.4	55%	0.545	56%	0.563	S	S	.	*			trans	-85.2	111.2	179.8	178.6	0	0	0	0	110.9	R685 E770	R685-V772 VanDerWaalsContact CZ-O 3.3Å; R685-V772 PolarHBondContact NH1-O 3.4Å; R685-V772 PolarHBondContact NH2-O 3.46Å; E770-V772 HydrophobicContact CB-CG2 3.66Å; E770-V772 PolarHBondContact O-N 3.18Å; E770-V772 WeakPolarHBondContact OE2-CG2 3.34Å
773	L	52.7	Low	57.1	Low	106 Å²	106	101.9 Å²	101.9	56%	0.555	59%	0.588	S	S	*	*	P	Polyproline II helix	trans	-65.5	133.8	179.5	-85.2	148.5	0	0	0	110.9	R685 D771 S775	R685-L773 VanDerWaalsContact NH2-N 3.17Å; D771-L773 PolarHBondContact O-N 3.36Å; L773-S775 PolarHBondContact O-N 3.45Å
774	P	41.3	Very low	53.9	Low	78 Å²	78	108.7 Å²	108.7	51%	0.506	62%	0.617	S	S	.	*	P	Polyproline II helix	trans	-64.6	126.2	159	24.9	-27.1	0	0	0	108.5	R776	P774-R776 PolarHBondContact O-N 3.02Å
775	S	33.6	Very low	51	Low	112 Å²	112	114.1 Å²	114.1	78%	0.783	65%	0.651	S	S	*	*	P	Polyproline II helix	trans	-57.6	119	176.8	50.5	0	0	0	0	110.4	L773	L773-S775 PolarHBondContact O-N 3.45Å
776	R	38.1	Very low	48.2	Very low	164 Å²	164	118 Å²	118	62%	0.619	67%	0.67	S	S	*	*	P	Polyproline II helix	trans	-56.5	132.9	167.7	-79.3	-174	179.1	179	2.1	108.2	D690 P774 S778	D690-R776 IonicContact OD1-NH2 3.18Å; D690-R776 PolarHBondContact OD1-NH2 3.46Å; P774-R776 PolarHBondContact O-N 3.02Å; R776-S778 PolarHBondContact O-N 3.14Å
777	P	31.5	Very low	45.5	Very low	121 Å²	121	123.4 Å²	123.4	79%	0.786	71%	0.708	S	S	*	*	P	Polyproline II helix	trans	-59.1	133.4	166.1	22.5	-25.8	0	0	0	107.9	E779	P777-E779 PolarHBondContact O-N 3.09Å
778	S	30.8	Very low	43.5	Very low	118 Å²	118	126.3 Å²	126.3	83%	0.825	71%	0.709	S	S	*	*			trans	-53.4	109.1	-174.9	53.9	0	0	0	0	111.5	R776 S780	R776-S778 PolarHBondContact O-N 3.14Å; S778-S780 PolarHBondContact O-N 3.43Å
779	E	36	Very low	41.6	Very low	173 Å²	173	126.4 Å²	126.4	81%	0.808	72%	0.716	S	S	*	*			trans	-67.1	126.2	163.2	-77.7	-177.9	169.2	0	0	108.5	P777 G781	P777-E779 PolarHBondContact O-N 3.09Å; E779-G781 PolarHBondContact O-N 3.14Å
780	S	33.7	Very low	39.6	Very low	113 Å²	113	129.9 Å²	129.9	79%	0.79	74%	0.739	S	S	*	*			trans	-45.1	131.2	167.5	47	0	0	0	0	110.6	S778	S778-S780 PolarHBondContact O-N 3.43Å
781	G	29.6	Very low	37.8	Very low	57 Å²	57	127.8 Å²	127.8	59%	0.588	74%	0.737	S	S	*	*			trans	-55.6	177.1	-174.1	0	0	0	0	0	115.9	E779 V783	E779-G781 PolarHBondContact O-N 3.14Å; G781-V783 PolarHBondContact O-N 3.44Å; G781-V783 VanDerWaalsContact O-N 3.1Å
782	P	32.6	Very low	36	Very low	130 Å²	130	131 Å²	131	84%	0.844	76%	0.758	S	S	*	*			trans	-59.9	119.1	-169.3	25.4	-32.8	0	0	0	110.4	K784	P782-K784 PolarHBondContact O-N 3.05Å
783	V	31.3	Very low	34.6	Very low	135 Å²	135	133.7 Å²	133.7	82%	0.818	77%	0.772	S	S	*	*			trans	-59.8	112.2	164	177.5	0	0	0	0	106.2	G781 V785	G781-V783 PolarHBondContact O-N 3.44Å; G781-V783 VanDerWaalsContact O-N 3.1Å; V783-V785 PolarHBondContact O-N 3.43Å
784	K	28.6	Very low	33.3	Very low	182 Å²	182	135.7 Å²	135.7	79%	0.791	79%	0.787	S	S	*	*			trans	-54	121.6	169.8	-77.2	-179.9	173.9	-179.1	0	108.1	P782 D786	P782-K784 PolarHBondContact O-N 3.05Å; K784-D786 PolarHBondContact O-N 3.43Å
785	V	31.8	Very low	32.7	Very low	136 Å²	136	140.2 Å²	140.2	82%	0.824	81%	0.809	S	S	*	*			trans	-73.9	106	160.8	-178.9	0	0	0	0	105.2	V783	V783-V785 PolarHBondContact O-N 3.43Å
786	D	33.6	Very low	32.6	Very low	144 Å²	144	142.5 Å²	142.5	77%	0.77	81%	0.811	S	S	*	*			trans	-69.1	134	163.5	-78.2	-30.7	0	0	0	108.1	K784	K784-D786 PolarHBondContact O-N 3.43Å
787	N	33.8	Very low	32.1	Very low	237 Å²	237	140.5 Å²	140.5	100%	1.267	83%	0.828	S	S	*	*			trans	-52.2	0	-177.7	-75.3	-36.5	0	0	0	114.7

Retrieved 787 of 787 residues in 683.8 ms (Link to these results)

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