A0A077Z479_TRITR Loading...

histone acetyltransferase

AlphaFold DB , UniProt , Accession A0A077Z479, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 743 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	24.9	Very low	26	Very low	258 Å²	258	153.7 Å²	153.7	100%	1.271	82%	0.816	S	S	*	*				0	112	0	-76.8	172.5	168.3	0	0	107.1
2	G	27.3	Very low	25.9	Very low	60 Å²	60	153.8 Å²	153.8	62%	0.619	82%	0.817	S	S	*	*			trans	156.2	117.5	-169	0	0	0	0	0	107.3	W4	G2-W4 PolarHBondContact O-N 3.2Å
3	S	25.7	Very low	25.9	Very low	106 Å²	106	150.2 Å²	150.2	74%	0.741	80%	0.804	S	S	*	*			trans	-59.2	123.5	-176	171.6	0	0	0	0	111.2
4	W	26.8	Very low	25.9	Very low	224 Å²	224	152.2 Å²	152.2	85%	0.848	80%	0.802	S	S	*	*			trans	-112.6	56.4	168.5	-70.7	79.1	0	0	0	109.1	G2	G2-W4 PolarHBondContact O-N 3.2Å
5	D	24.4	Very low	25.7	Very low	133 Å²	133	153.1 Å²	153.1	71%	0.711	80%	0.8	S	S	*	*			trans	-80.4	131.1	154.4	-84.5	-38.2	0	0	0	107.9
6	T	27	Very low	25.6	Very low	129 Å²	129	153.6 Å²	153.6	79%	0.791	80%	0.797	S	S	*	*			trans	106.3	102.1	171.8	69.5	0	0	0	0	116.4
7	R	28.5	Very low	25.4	Very low	237 Å²	237	151.1 Å²	151.1	89%	0.894	79%	0.794	S	S	*	*			trans	162.2	39.7	138.1	-86.7	-179.9	-154.9	-164.1	7.5	113.2
8	F	27.1	Very low	25.3	Very low	160 Å²	160	149.2 Å²	149.2	70%	0.702	80%	0.796	S	S	*	*			trans	-108.2	86.8	155.3	-73.6	-75.1	0	0	0	108.5	G10	F8-G10 PolarHBondContact O-N 3.47Å
9	G	24.7	Very low	25.4	Very low	86 Å²	86	145.7 Å²	145.7	89%	0.887	78%	0.784	S	S	*	*			trans	-72.6	63.1	171.7	0	0	0	0	0	111.4
10	G	25.7	Very low	25.5	Very low	59 Å²	59	144.5 Å²	144.5	61%	0.608	79%	0.787	S	S	*	*			trans	-90.1	113.8	154.7	0	0	0	0	0	106.3	F8 N12	F8-G10 PolarHBondContact O-N 3.47Å; G10-N12 VanDerWaalsContact C-N 3.33Å; G10-N12 PolarHBondContact O-N 3.14Å
11	R	24	Very low	25.7	Very low	239 Å²	239	144.3 Å²	144.3	90%	0.902	79%	0.791	S	S	*	*			trans	-55	103.1	171.6	-68.2	179.7	-156.7	178.5	5.8	107.3	V13	R11-V13 HydrophobicContact CB-CG2 4.32Å; R11-V13 PolarHBondContact O-N 3.35Å
12	N	24.9	Very low	26.7	Very low	155 Å²	155	134.8 Å²	134.8	83%	0.829	75%	0.75	S	S	*	*			trans	-62.1	84.5	154.4	-89.5	-33.4	0	0	0	105.4	G10 K14	G10-N12 VanDerWaalsContact C-N 3.33Å; G10-N12 PolarHBondContact O-N 3.14Å; N12-K14 PolarHBondContact O-N 3.37Å
13	V	25.6	Very low	28	Very low	106 Å²	106	142.4 Å²	142.4	64%	0.642	76%	0.76	S	S	*	*			trans	-64.7	88.6	154.7	-179.1	0	0	0	0	103.7	R11 Q15	R11-V13 HydrophobicContact CB-CG2 4.32Å; R11-V13 PolarHBondContact O-N 3.35Å; V13-Q15 HydrophobicContact CG1-CB 4.09Å; V13-Q15 HydrophobicContact CG1-CG 4.18Å; V13-Q15 PolarHBondContact O-N 2.71Å
14	K	25.4	Very low	29.8	Very low	179 Å²	179	138.3 Å²	138.3	78%	0.778	73%	0.73	S	S	*	*			trans	-56.1	81	149.3	-77.3	-177.7	173.9	-178	0	105.1	N12 E16	N12-K14 PolarHBondContact O-N 3.37Å; K14-E16 PolarHBondContact O-N 3.44Å
15	Q	24.2	Very low	31.9	Very low	165 Å²	165	129.6 Å²	129.6	77%	0.771	71%	0.705	S	S	*	*			trans	-73.8	87.8	156.7	-127.5	172.6	-10.5	0	0	103	V13 C17	V13-Q15 HydrophobicContact CG1-CB 4.09Å; V13-Q15 HydrophobicContact CG1-CG 4.18Å; V13-Q15 PolarHBondContact O-N 2.71Å; Q15-C17 PolarHBondContact O-N 3.48Å
16	E	22.7	Very low	34.3	Very low	161 Å²	161	127.9 Å²	127.9	75%	0.752	70%	0.701	S	S	*	*			trans	-53.8	94.9	158.7	-74.4	177.7	165.3	0	0	105.6	K14 S18	K14-E16 PolarHBondContact O-N 3.44Å; E16-S18 PolarHBondContact O-N 3.42Å
17	C	23.5	Very low	36.6	Very low	112 Å²	112	128 Å²	128	76%	0.757	69%	0.693	S	S	*	*			trans	-70.6	86.3	161	-146.9	0	0	0	0	104.8	Q15 S19	Q15-C17 PolarHBondContact O-N 3.48Å; C17-S19 PolarHBondContact O-N 3.21Å
18	S	23.1	Very low	38.9	Very low	117 Å²	117	117.5 Å²	117.5	82%	0.818	66%	0.655	S	S	*	*			trans	-59.7	87.6	164.4	51.5	0	0	0	0	107.9	E16	E16-S18 PolarHBondContact O-N 3.42Å
19	S	26.2	Very low	41.3	Very low	83 Å²	83	113.7 Å²	113.7	58%	0.58	64%	0.638	S	S	*	*			trans	-138.4	99.4	169.6	61.3	0	0	0	0	108.6	C17	C17-S19 PolarHBondContact O-N 3.21Å
20	S	27.3	Very low	44	Very low	120 Å²	120	114.3 Å²	114.3	84%	0.839	61%	0.614	S	S	*	*			trans	38.8	87.3	157.3	47	0	0	0	0	116.7	S22	S20-S22 PolarHBondContact O-N 2.98Å; S20-S22 VanDerWaalsContact O-N 3.14Å
21	T	30.8	Very low	46.7	Very low	141 Å²	141	113.2 Å²	113.2	87%	0.865	59%	0.594	S	S	*	*			trans	-53.7	111.3	173.5	41.4	0	0	0	0	113.2
22	S	45.8	Very low	49.6	Very low	59 Å²	59	102.9 Å²	102.9	41%	0.413	56%	0.556	S	S	.	*			trans	-73.9	128.2	166	63.5	0	0	0	0	110.9	S20 L24 K29	S20-S22 PolarHBondContact O-N 2.98Å; S20-S22 VanDerWaalsContact O-N 3.14Å; S22-L24 PolarHBondContact O-N 2.94Å; S22-L24 VanDerWaalsContact O-N 3.08Å; S22-K29 WeakPolarHBondContact O-CE 3.42Å; S22-K29 PolarHBondContact O-NZ 3.38Å
23	R	55.4	Low	52.4	Low	220 Å²	220	103.4 Å²	103.4	83%	0.83	55%	0.547	S	S	*	.			trans	-78.5	31.4	-179.4	-64.8	-174.1	-168.9	-174.3	1.6	114.1
24	L	62.3	Low	55.4	Low	20 Å²	20	98.4 Å²	98.4	11%	0.105	52%	0.516	C	S	.	.			trans	-76.8	139.1	178.7	-71.3	150.9	0	0	0	111	S22 T28 K29 I32 L57 I67	S22-L24 PolarHBondContact O-N 2.94Å; S22-L24 VanDerWaalsContact O-N 3.08Å; L24-T28 HydrophobicContact CD2-CG2 3.97Å; L24-K29 HydrophobicContact CB-CD 4.37Å; L24-K29 HydrophobicContact CB-CG 3.79Å; L24-K29 WeakPolarHBondContact O-CE 3.42Å; L24-K29 PolarHBondContact O-NZ 3.04Å; L24-I32 HydrophobicContact CD1-CD1 4.32Å; L24-L57 HydrophobicContact CD1-CD2 3.84Å; L24-I67 HydrophobicContact CD2-CD1 3.9Å
25	A	71.1	Confident	58.3	Low	41 Å²	41	89.9 Å²	89.9	34%	0.339	48%	0.479	S	S	.	.			trans	-52.7	145.1	174	0	0	0	0	0	111.6	E27 T28 K29	A25-E27 PolarHBondContact O-N 3.37Å; A25-T28 PolarHBondContact O-N 2.85Å; A25-T28 VanDerWaalsContact O-N 3.11Å; A25-K29 PolarHBondContact O-N 3.24Å
26	P	75.4	Confident	61.2	Low	96 Å²	96	84.4 Å²	84.4	62%	0.623	46%	0.459	S	S	*	.	H	α-helix	trans	-55.6	-36.5	-178.2	-26.3	34.2	0	0	0	113.8	R30	P26-R30 WeakPolarHBondContact O-CG 3.22Å; P26-R30 PolarHBondContact O-N 3.09Å; P26-R30 PolarHBondContact O-NE 3.01Å
27	E	75.1	Confident	64.3	Low	133 Å²	133	78.8 Å²	78.8	62%	0.621	43%	0.431	S	S	*	.	H	α-helix	trans	-64.1	-46.9	176.1	-69.6	174.1	-175.7	0	0	112	A25 K29 R30 L31	A25-E27 PolarHBondContact O-N 3.37Å; E27-K29 PolarHBondContact O-N 2.92Å; E27-R30 VanDerWaalsContact CG-NH2 3.33Å; E27-R30 WeakPolarHBondContact O-CB 3.4Å; E27-R30 PolarHBondContact O-N 2.77Å; E27-R30 VanDerWaalsContact O-N 3.15Å; E27-L31 PolarHBondContact O-N 2.79Å
28	T	75.8	Confident	67.3	Low	16 Å²	16	73.4 Å²	73.4	10%	0.098	40%	0.395	C	S	.	.	H	α-helix	trans	-62.4	-42	177.1	-50	0	0	0	0	111.7	L24 A25 R30 L31 I32 L64 I67	L24-T28 HydrophobicContact CD2-CG2 3.97Å; A25-T28 PolarHBondContact O-N 2.85Å; A25-T28 VanDerWaalsContact O-N 3.11Å; T28-R30 VanDerWaalsContact C-N 3.33Å; T28-R30 PolarHBondContact O-N 3.11Å; T28-L31 PolarHBondContact O-N 3.03Å; T28-I32 HydrophobicContact CG2-CD1 4.11Å; T28-I32 WeakPolarHBondContact O-CD1 3.09Å; T28-I32 VanDerWaalsContact O-CG1 3.29Å; T28-I32 WeakPolarHBondContact O-CG1 3.48Å; T28-I32 PolarHBondContact O-N 3.21Å; T28-L64 HydrophobicContact CG2-CD1 4.15Å; T28-I67 HydrophobicContact CG2-CD1 3.33Å
29	K	77.4	Confident	70.3	Confident	80 Å²	80	72.5 Å²	72.5	35%	0.348	38%	0.376	S	S	.	.	H	α-helix	trans	-61.6	-40.2	174.3	-72.6	179.1	176.9	168.4	0	112	S22 L24 A25 E27 R33	S22-K29 WeakPolarHBondContact O-CE 3.42Å; S22-K29 PolarHBondContact O-NZ 3.38Å; L24-K29 HydrophobicContact CB-CD 4.37Å; L24-K29 HydrophobicContact CB-CG 3.79Å; L24-K29 WeakPolarHBondContact O-CE 3.42Å; L24-K29 PolarHBondContact O-NZ 3.04Å; A25-K29 PolarHBondContact O-N 3.24Å; E27-K29 PolarHBondContact O-N 2.92Å; K29-R33 WeakPolarHBondContact O-CG 3.43Å; K29-R33 PolarHBondContact O-N 3.08Å; K29-R33 VanDerWaalsContact O-N 3.16Å
30	R	82.3	Confident	73.3	Confident	98 Å²	98	68.6 Å²	68.6	37%	0.37	35%	0.349	S	S	.	.	H	α-helix	trans	-62.4	-48.8	175.3	-77.9	-177.9	-79.8	177.9	1.7	111.1	P26 E27 T28 I32 R33 L34 E95	P26-R30 WeakPolarHBondContact O-CG 3.22Å; P26-R30 PolarHBondContact O-N 3.09Å; P26-R30 PolarHBondContact O-NE 3.01Å; E27-R30 VanDerWaalsContact CG-NH2 3.33Å; E27-R30 WeakPolarHBondContact O-CB 3.4Å; E27-R30 PolarHBondContact O-N 2.77Å; E27-R30 VanDerWaalsContact O-N 3.15Å; T28-R30 VanDerWaalsContact C-N 3.33Å; T28-R30 PolarHBondContact O-N 3.11Å; R30-I32 PolarHBondContact O-N 3.02Å; R30-R33 WeakPolarHBondContact O-CB 3.44Å; R30-R33 PolarHBondContact O-N 3.34Å; R30-L34 WeakPolarHBondContact O-CG 3.27Å; R30-L34 PolarHBondContact O-N 3.03Å; R30-E95 IonicContact NH1-OE2 3.11Å; R30-E95 PolarHBondContact NH1-OE2 3.37Å; R30-E95 VanDerWaalsContact NH1-OE2 3.11Å
31	L	83.4	Confident	76.1	Confident	36 Å²	36	67.6 Å²	67.6	19%	0.188	33%	0.331	C	S	.	.	H	α-helix	trans	-60.6	-41.8	178.1	-72.8	172.6	0	0	0	112.8	E27 T28 R33 L34 A35 L64 F79 L86	E27-L31 PolarHBondContact O-N 2.79Å; T28-L31 PolarHBondContact O-N 3.03Å; L31-R33 VanDerWaalsContact C-N 3.33Å; L31-R33 PolarHBondContact O-N 3.01Å; L31-L34 PolarHBondContact O-N 3.01Å; L31-A35 VanDerWaalsContact O-CB 3.24Å; L31-A35 WeakPolarHBondContact O-CB 3.41Å; L31-A35 PolarHBondContact O-N 3.41Å; L31-L64 HydrophobicContact CD1-CD1 3.95Å; L31-L64 HydrophobicContact CD1-CD2 4.3Å; L31-F79 HydrophobicContact CB-CZ 4.26Å; L31-L86 HydrophobicContact CD2-CD1 4.41Å
32	I	83.7	Confident	78.7	Confident	22 Å²	22	61.6 Å²	61.6	11%	0.113	30%	0.297	C	S	.	.	H	α-helix	trans	-61.2	-43.4	176.6	-69.4	162.2	0	0	0	111.3	L24 T28 R30 A35 S36 W50 L57 I67 F79	L24-I32 HydrophobicContact CD1-CD1 4.32Å; T28-I32 HydrophobicContact CG2-CD1 4.11Å; T28-I32 WeakPolarHBondContact O-CD1 3.09Å; T28-I32 VanDerWaalsContact O-CG1 3.29Å; T28-I32 WeakPolarHBondContact O-CG1 3.48Å; T28-I32 PolarHBondContact O-N 3.21Å; R30-I32 PolarHBondContact O-N 3.02Å; I32-A35 PolarHBondContact O-N 3.21Å; I32-S36 PolarHBondContact O-N 2.71Å; I32-S36 PolarHBondContact O-OG 2.81Å; I32-W50 HydrophobicContact CG2-CZ3 4.1Å; I32-L57 HydrophobicContact CD1-CD2 3.75Å; I32-I67 HydrophobicContact CD1-CD1 4.43Å; I32-F79 HydrophobicContact CG1-CE2 4.15Å; I32-F79 HydrophobicContact CG1-CZ 4.23Å
33	R	84.3	Confident	80.4	Confident	166 Å²	166	68 Å²	68	63%	0.626	32%	0.318	S	S	*	.	H	α-helix	trans	-62.2	-46.2	176.8	-74.1	176.8	179	-177.7	-0.4	111.5	K29 R30 L31 S36 Y37	K29-R33 WeakPolarHBondContact O-CG 3.43Å; K29-R33 PolarHBondContact O-N 3.08Å; K29-R33 VanDerWaalsContact O-N 3.16Å; R30-R33 WeakPolarHBondContact O-CB 3.44Å; R30-R33 PolarHBondContact O-N 3.34Å; L31-R33 VanDerWaalsContact C-N 3.33Å; L31-R33 PolarHBondContact O-N 3.01Å; R33-S36 WeakPolarHBondContact O-CB 3.5Å; R33-S36 PolarHBondContact O-N 3.21Å; R33-Y37 WeakPolarHBondContact O-CD2 3.06Å
34	L	87.8	Confident	81.5	Confident	2 Å²	2	63.9 Å²	63.9	1%	0.01	32%	0.323	C	S	.	.	H	α-helix	trans	-64.7	-44.2	178	-66.6	177	0	0	0	112	R30 L31 S36 Y37 S38 L86 L94 L97 A101 L134	R30-L34 WeakPolarHBondContact O-CG 3.27Å; R30-L34 PolarHBondContact O-N 3.03Å; L31-L34 PolarHBondContact O-N 3.01Å; L34-S36 PolarHBondContact O-N 2.73Å; L34-S36 VanDerWaalsContact O-N 3.15Å; L34-Y37 PolarHBondContact O-N 3.41Å; L34-S38 PolarHBondContact O-N 3.49Å; L34-S38 VanDerWaalsContact O-N 3.14Å; L34-S38 PolarHBondContact O-OG 3.08Å; L34-L86 HydrophobicContact CB-CD1 3.54Å; L34-L86 HydrophobicContact CD1-CD1 4.18Å; L34-L86 HydrophobicContact CD1-CD2 4.46Å; L34-L94 HydrophobicContact CD1-CD2 4.01Å; L34-L97 HydrophobicContact CD1-CB 4.45Å; L34-L97 HydrophobicContact CD2-CB 3.76Å; L34-L97 WeakPolarHBondContact CD2-O 3.27Å; L34-A101 HydrophobicContact CD2-CB 4.34Å; L34-L134 HydrophobicContact CD2-CD1 3.9Å
35	A	87.1	Confident	82.3	Confident	0 Å²	0	63.9 Å²	63.9	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-58.5	-30	178.6	0	0	0	0	0	112.7	L31 I32 Y37 S38 W50 F79 H82 T83	L31-A35 VanDerWaalsContact O-CB 3.24Å; L31-A35 WeakPolarHBondContact O-CB 3.41Å; L31-A35 PolarHBondContact O-N 3.41Å; I32-A35 PolarHBondContact O-N 3.21Å; A35-Y37 PolarHBondContact O-N 3.15Å; A35-Y37 VanDerWaalsContact O-N 3.15Å; A35-S38 PolarHBondContact O-N 3.32Å; A35-W50 HydrophobicContact CB-CB 4.06Å; A35-W50 WeakPolarHBondContact O-CB 3.42Å; A35-W50 PolarHBondContact O-N 2.76Å; A35-F79 HydrophobicContact CB-CD2 4Å; A35-F79 HydrophobicContact CB-CE2 3.33Å; A35-F79 HydrophobicContact CB-CZ 3.9Å; A35-H82 HydrophobicContact CB-CB 4.41Å; A35-T83 HydrophobicContact CB-CG2 3.87Å
36	S	85.9	Confident	82.8	Confident	49 Å²	49	67.9 Å²	67.9	34%	0.343	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-17.5	176.5	-56.7	0	0	0	0	113.5	I32 R33 L34 G49	I32-S36 PolarHBondContact O-N 2.71Å; I32-S36 PolarHBondContact O-OG 2.81Å; R33-S36 WeakPolarHBondContact O-CB 3.5Å; R33-S36 PolarHBondContact O-N 3.21Å; L34-S36 PolarHBondContact O-N 2.73Å; L34-S36 VanDerWaalsContact O-N 3.15Å; S36-G49 WeakPolarHBondContact O-CA 3.49Å
37	Y	86.4	Confident	83.1	Confident	43 Å²	43	63.9 Å²	63.9	17%	0.169	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.1	-5	178.9	-59.8	-73.1	0	0	0	113.9	R33 L34 A35 L48 A101 M104 L134 S135	R33-Y37 WeakPolarHBondContact O-CD2 3.06Å; L34-Y37 PolarHBondContact O-N 3.41Å; A35-Y37 PolarHBondContact O-N 3.15Å; A35-Y37 VanDerWaalsContact O-N 3.15Å; Y37-L48 CarbonylContact C-O 3.51Å; Y37-A101 HydrophobicContact CD2-CB 4.16Å; Y37-A101 HydrophobicContact CE2-CB 4.11Å; Y37-M104 HydrophobicContact CD1-CE 3.57Å; Y37-M104 HydrophobicContact CD1-SD 4.43Å; Y37-M104 HydrophobicContact CE1-CE 3.5Å; Y37-M104 HydrophobicContact CG-CE 4.35Å; Y37-L134 HydrophobicContact CD1-CD2 4.43Å; Y37-L134 HydrophobicContact CD2-CD2 3.61Å; Y37-L134 HydrophobicContact CG-CD2 3.55Å; Y37-S135 WeakPolarHBondContact O-CA 3.31Å
38	S	86.3	Confident	83.5	Confident	0 Å²	0	61.4 Å²	61.4	0%	0	31%	0.308	C	S	.	.	S	Bend	trans	-83	135.5	-179.7	-72.6	0	0	0	0	112.2	L34 A35 L48 G49 H82 Q85	L34-S38 PolarHBondContact O-N 3.49Å; L34-S38 VanDerWaalsContact O-N 3.14Å; L34-S38 PolarHBondContact O-OG 3.08Å; A35-S38 PolarHBondContact O-N 3.32Å; S38-L48 CarbonylContact O-C 3.56Å; S38-G49 WeakPolarHBondContact O-CA 3.15Å; S38-G49 PolarHBondContact O-N 2.88Å; S38-H82 WeakPolarHBondContact CB-O 3.13Å; S38-H82 PolarHBondContact OG-O 2.92Å; S38-Q85 VanDerWaalsContact CB-NE2 3.31Å; S38-Q85 PolarHBondContact OG-NE2 2.86Å
39	K	87.4	Confident	83.9	Confident	97 Å²	97	61 Å²	61	42%	0.422	31%	0.308	S	S	.	.	P	Polyproline II helix	trans	-64.9	137.9	173	-172.6	-177.7	177.2	-176.3	0	110.8	C47	K39-C47 WeakPolarHBondContact CA-O 3.3Å; K39-C47 WeakPolarHBondContact CG-O 3.45Å
40	C	88	Confident	84.3	Confident	2 Å²	2	57.4 Å²	57.4	1%	0.014	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-69.6	129.5	173.6	-178.4	0	0	0	0	111.1	G42 C45 C47 H77 H82	C40-G42 VanDerWaalsContact C-N 3.29Å; C40-G42 PolarHBondContact O-N 2.94Å; C40-G42 PolarHBondContact SG-N 2.77Å; C40-G42 VanDerWaalsContact SG-N 3.41Å; C40-C45 HydrophobicContact CB-CB 4.21Å; C40-C45 VanDerWaalsContact CB-SG 3.56Å; C40-C47 HydrophobicContact CB-CB 3.67Å; C40-C47 PolarHBondContact N-O 3.3Å; C40-H77 VanDerWaalsContact SG-CB 3.59Å; C40-H77 PolarHBondContact SG-ND1 3.23Å; C40-H82 WeakPolarHBondContact CB-NE2 3.41Å
41	Q	87.5	Confident	84.5	Confident	99 Å²	99	58.6 Å²	58.6	46%	0.463	30%	0.3	S	S	.	.			trans	-89.4	11.1	177.9	-58.3	-60.8	-28.6	0	0	113.5	C81 V84	Q41-C81 PolarHBondContact N-O 3.3Å; Q41-V84 HydrophobicContact CB-CG2 4.42Å; Q41-V84 HydrophobicContact CG-CB 4.22Å
42	G	83.9	Confident	84.1	Confident	14 Å²	14	59.5 Å²	59.5	14%	0.144	31%	0.308	C	S	.	.	S	Bend	trans	-62.6	142.5	171.6	0	0	0	0	0	111.9	C40 S44 C45	C40-G42 VanDerWaalsContact C-N 3.29Å; C40-G42 PolarHBondContact O-N 2.94Å; C40-G42 PolarHBondContact SG-N 2.77Å; C40-G42 VanDerWaalsContact SG-N 3.41Å; G42-S44 PolarHBondContact O-N 3.19Å; G42-C45 WeakPolarHBondContact O-CB 3.42Å; G42-C45 PolarHBondContact O-N 3.39Å
43	K	81.9	Confident	83.2	Confident	195 Å²	195	61.6 Å²	61.6	85%	0.848	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	129.7	179.6	-70.3	-177.1	179.5	179.5	0	110.2	C45	K43-C45 PolarHBondContact O-N 3.05Å; K43-C45 VanDerWaalsContact O-N 3.08Å
44	S	78.9	Confident	81.8	Confident	133 Å²	133	58.9 Å²	58.9	93%	0.93	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.1	13	-177.5	64.1	0	0	0	0	116.2	G42	G42-S44 PolarHBondContact O-N 3.19Å
45	C	80	Confident	80.2	Confident	19 Å²	19	66.9 Å²	66.9	13%	0.128	37%	0.368	C	S	.	.			trans	-80.4	135	-179.4	-167.6	0	0	0	0	111.9	C40 G42 K43 C47 C75 H77	C40-C45 HydrophobicContact CB-CB 4.21Å; C40-C45 VanDerWaalsContact CB-SG 3.56Å; G42-C45 WeakPolarHBondContact O-CB 3.42Å; G42-C45 PolarHBondContact O-N 3.39Å; K43-C45 PolarHBondContact O-N 3.05Å; K43-C45 VanDerWaalsContact O-N 3.08Å; C45-C47 WeakPolarHBondContact SG-CB 3.22Å; C45-C47 PolarHBondContact SG-N 3Å; C45-C75 VanDerWaalsContact SG-CB 3.53Å; C45-H77 PolarHBondContact SG-ND1 3.17Å; C45-H77 VanDerWaalsContact SG-ND1 3.45Å
46	V	80.8	Confident	78.4	Confident	125 Å²	125	72.3 Å²	72.3	76%	0.758	39%	0.393	S	S	*	.			trans	-108	12.4	175.9	-63.5	0	0	0	0	112.9	L48	V46-L48 PolarHBondContact O-N 3.38Å
47	C	82.5	Confident	76.9	Confident	13 Å²	13	73.1 Å²	73.1	9%	0.088	39%	0.394	C	S	.	.			trans	-67.7	129.9	179.7	-172.3	0	0	0	0	111.2	K39 C40 C45 G49 C75 H82	K39-C47 WeakPolarHBondContact CA-O 3.3Å; K39-C47 WeakPolarHBondContact CG-O 3.45Å; C40-C47 HydrophobicContact CB-CB 3.67Å; C40-C47 PolarHBondContact N-O 3.3Å; C45-C47 WeakPolarHBondContact SG-CB 3.22Å; C45-C47 PolarHBondContact SG-N 3Å; C47-G49 PolarHBondContact SG-O 3.39Å; C47-C75 HydrophobicContact CB-CB 3.59Å; C47-H82 PolarHBondContact SG-NE2 3.4Å; C47-H82 VanDerWaalsContact SG-NE2 3.44Å
48	L	82.7	Confident	74.9	Confident	80 Å²	80	73.4 Å²	73.4	42%	0.419	40%	0.401	S	S	.	.			trans	-100.3	5	-175.3	-60.3	178.1	0	0	0	113.8	Y37 S38 V46	Y37-L48 CarbonylContact C-O 3.51Å; S38-L48 CarbonylContact O-C 3.56Å; V46-L48 PolarHBondContact O-N 3.38Å
49	G	84.1	Confident	73	Confident	8 Å²	8	80.5 Å²	80.5	8%	0.082	44%	0.437	C	S	.	.	S	Bend	trans	174.5	141.4	-176	0	0	0	0	0	112.5	S36 S38 C47 K51	S36-G49 WeakPolarHBondContact O-CA 3.49Å; S38-G49 WeakPolarHBondContact O-CA 3.15Å; S38-G49 PolarHBondContact O-N 2.88Å; C47-G49 PolarHBondContact SG-O 3.39Å; G49-K51 PolarHBondContact O-N 3.06Å
50	W	86.5	Confident	70.8	Confident	5 Å²	5	86.2 Å²	86.2	2%	0.019	46%	0.456	C	S	.	.			trans	-69.9	127.9	176.7	-175.6	82.2	0	0	0	110.3	I32 A35 P52 L70 F79 H82	I32-W50 HydrophobicContact CG2-CZ3 4.1Å; A35-W50 HydrophobicContact CB-CB 4.06Å; A35-W50 WeakPolarHBondContact O-CB 3.42Å; A35-W50 PolarHBondContact O-N 2.76Å; W50-P52 HydrophobicContact CH2-CB 3.58Å; W50-P52 HydrophobicContact CH2-CG 4.33Å; W50-P52 HydrophobicContact CZ2-CB 4.2Å; W50-P52 HydrophobicContact CZ3-CB 3.73Å; W50-P52 HydrophobicContact CZ3-CG 3.97Å; W50-L70 HydrophobicContact CZ2-CB 4.01Å; W50-L70 HydrophobicContact CZ2-CD1 4.4Å; W50-L70 PolarHBondContact NE1-O 3.2Å; W50-F79 AromaticContact CD2-CD2 3.66Å; W50-F79 HydrophobicContact CD2-CD2 3.66Å; W50-F79 HydrophobicContact CD2-CE2 4.34Å; W50-F79 AromaticContact CE2-CD2 3.7Å; W50-F79 HydrophobicContact CE3-CD2 4.04Å; W50-F79 HydrophobicContact CE3-CE2 4.31Å; W50-F79 AromaticContact CG-CD2 3.92Å; W50-F79 HydrophobicContact CG-CD2 3.92Å; W50-F79 HydrophobicContact CH2-CD2 4.41Å; W50-F79 HydrophobicContact CZ2-CD2 4.1Å; W50-F79 HydrophobicContact CZ3-CD2 4.4Å; W50-F79 AromaticContact NE1-CD2 3.98Å; W50-H82 HydrophobicContact CB-CB 3.99Å; W50-H82 AromaticContact CD1-ND1 3.9Å; W50-H82 PolarHBondContact N-CD2 2.91Å; W50-H82 VanDerWaalsContact N-CD2 3.34Å
51	K	84.8	Confident	68.6	Low	122 Å²	122	88.4 Å²	88.4	53%	0.53	47%	0.471	S	S	.	.			trans	-116.2	117.8	174.7	-68.2	-170.9	-177.4	-178.6	0	108.8	G49 C72 L73 A74	G49-K51 PolarHBondContact O-N 3.06Å; K51-C72 PolarHBondContact N-SG 3.16Å; K51-C72 VanDerWaalsContact N-SG 3.36Å; K51-L73 HydrophobicContact CB-CB 3.95Å; K51-L73 WeakPolarHBondContact O-CB 3.45Å; K51-L73 PolarHBondContact O-N 2.78Å; K51-A74 HydrophobicContact CD-CB 4.38Å
52	P	75.4	Confident	66.9	Low	55 Å²	55	90.7 Å²	90.7	36%	0.357	49%	0.486	S	S	.	.	P	Polyproline II helix	trans	-63.7	143.7	176	23.9	-30.1	0	0	0	110.5	W50 S54	W50-P52 HydrophobicContact CH2-CB 3.58Å; W50-P52 HydrophobicContact CH2-CG 4.33Å; W50-P52 HydrophobicContact CZ2-CB 4.2Å; W50-P52 HydrophobicContact CZ3-CB 3.73Å; W50-P52 HydrophobicContact CZ3-CG 3.97Å; P52-S54 PolarHBondContact O-N 2.84Å
53	L	65.5	Low	65.7	Low	67 Å²	67	95.9 Å²	95.9	35%	0.351	51%	0.507	S	S	.	.	P	Polyproline II helix	trans	-64	123.9	159.4	-124.1	80.6	0	0	0	107.3	N55 Q56 L73	L53-N55 PolarHBondContact O-N 2.85Å; L53-Q56 PolarHBondContact O-N 2.85Å; L53-L73 HydrophobicContact CD1-CB 4.08Å; L53-L73 HydrophobicContact CD1-CD1 3.47Å; L53-L73 VanDerWaalsContact CD1-CD1 3.47Å; L53-L73 HydrophobicContact CD1-CG 4.37Å; L53-L73 HydrophobicContact CG-CD1 4.26Å
54	S	54.6	Low	64.9	Low	108 Å²	108	89.9 Å²	89.9	76%	0.755	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.6	134.5	-177.9	53.1	0	0	0	0	111.9	P52	P52-S54 PolarHBondContact O-N 2.84Å
55	N	53.5	Low	64.2	Low	170 Å²	170	86.8 Å²	86.8	91%	0.909	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.9	9.5	-178.7	-68.4	-3.8	0	0	0	119.5	L53	L53-N55 PolarHBondContact O-N 2.85Å
56	Q	50.6	Low	63.6	Low	114 Å²	114	89.9 Å²	89.9	53%	0.533	48%	0.481	S	S	.	.			trans	-116.4	36.3	177.8	-68.7	-167.2	-13.6	0	0	115.9	L53 P58	L53-Q56 PolarHBondContact O-N 2.85Å; Q56-P58 VanDerWaalsContact O-CD 3.3Å; Q56-P58 WeakPolarHBondContact O-CD 3.38Å
57	L	53.5	Low	63.3	Low	67 Å²	67	84 Å²	84	35%	0.351	45%	0.445	S	S	.	.	S	Bend	trans	-79.5	112.3	152.7	-89.2	145.5	0	0	0	106	L24 I32 I59	L24-L57 HydrophobicContact CD1-CD2 3.84Å; I32-L57 HydrophobicContact CD1-CD2 3.75Å; L57-I59 PolarHBondContact O-N 2.79Å
58	P	45.3	Very low	63.1	Low	48 Å²	48	86.2 Å²	86.2	31%	0.312	46%	0.456	S	S	.	.			trans	-55.6	117.3	179.4	-19.6	30.9	0	0	0	108.2	Q56 R60 C61	Q56-P58 VanDerWaalsContact O-CD 3.3Å; Q56-P58 WeakPolarHBondContact O-CD 3.38Å; P58-R60 PolarHBondContact O-N 2.85Å; P58-C61 HydrophobicContact CB-CB 4.2Å
59	I	45.7	Very low	63	Low	149 Å²	149	86 Å²	86	76%	0.764	47%	0.466	S	S	*	.	S	Bend	trans	-63.3	-10.1	180	-63.9	171.7	0	0	0	110.7	L57	L57-I59 PolarHBondContact O-N 2.79Å
60	R	40.4	Very low	62.9	Low	218 Å²	218	87 Å²	87	82%	0.823	47%	0.469	S	S	*	.	S	Bend	trans	-145.6	94.3	175.5	-62.6	-176.5	179.3	-166.1	0	109.5	P58	P58-R60 PolarHBondContact O-N 2.85Å
61	C	43.1	Very low	62.9	Low	48 Å²	48	89 Å²	89	32%	0.324	48%	0.483	S	S	.	.			trans	-164.5	116.3	154.2	-107.1	0	0	0	0	110.8	P58 E63 L66	P58-C61 HydrophobicContact CB-CB 4.2Å; C61-E63 PolarHBondContact O-N 2.77Å; C61-L66 HydrophobicContact CB-CD1 3.96Å; C61-L66 WeakPolarHBondContact SG-CD1 3.17Å
62	D	51.5	Low	63	Low	147 Å²	147	83.2 Å²	83.2	79%	0.786	46%	0.457	S	S	*	.			trans	-75.7	5.7	172.3	-72.9	-41.8	0	0	0	112.7
63	E	57.6	Low	63.5	Low	122 Å²	122	85 Å²	85	57%	0.57	46%	0.464	S	S	*	.			trans	-101	103.8	-176.8	-69.1	-177.3	172.8	0	0	112	C61 A65 L66	C61-E63 PolarHBondContact O-N 2.77Å; E63-A65 HydrophobicContact CB-CB 4.43Å; E63-A65 PolarHBondContact O-N 3.32Å; E63-L66 HydrophobicContact CB-CD1 4.26Å; E63-L66 PolarHBondContact O-N 3.49Å
64	L	65.4	Low	64.4	Low	69 Å²	69	84.8 Å²	84.8	36%	0.361	47%	0.471	S	S	.	.	H	α-helix	trans	-48.5	-26.8	167.5	-171.5	69.2	0	0	0	112.4	T28 L31 L66 I67 N68	T28-L64 HydrophobicContact CG2-CD1 4.15Å; L31-L64 HydrophobicContact CD1-CD1 3.95Å; L31-L64 HydrophobicContact CD1-CD2 4.3Å; L64-L66 PolarHBondContact O-N 2.72Å; L64-I67 PolarHBondContact O-N 3.24Å; L64-N68 PolarHBondContact O-N 2.92Å
65	A	64.6	Low	66	Low	69 Å²	69	80.9 Å²	80.9	57%	0.57	44%	0.444	S	S	*	.	H	α-helix	trans	-57.6	-40.3	175.5	0	0	0	0	0	113.5	E63	E63-A65 HydrophobicContact CB-CB 4.43Å; E63-A65 PolarHBondContact O-N 3.32Å
66	L	66.6	Low	67.6	Low	83 Å²	83	78.8 Å²	78.8	44%	0.435	43%	0.428	S	S	.	.	H	α-helix	trans	-72.9	-36.9	179	-81.7	156.4	0	0	0	112	C61 E63 L64 A69	C61-L66 HydrophobicContact CB-CD1 3.96Å; C61-L66 WeakPolarHBondContact SG-CD1 3.17Å; E63-L66 HydrophobicContact CB-CD1 4.26Å; E63-L66 PolarHBondContact O-N 3.49Å; L64-L66 PolarHBondContact O-N 2.72Å; L66-A69 PolarHBondContact O-N 3.22Å
67	I	74.4	Confident	69.4	Low	2 Å²	2	76.3 Å²	76.3	1%	0.01	42%	0.417	C	S	.	.	H	α-helix	trans	-68.3	-39.1	177.4	-62.8	170.3	0	0	0	110.4	L24 T28 I32 L64 A69 L70 F79	L24-I67 HydrophobicContact CD2-CD1 3.9Å; T28-I67 HydrophobicContact CG2-CD1 3.33Å; I32-I67 HydrophobicContact CD1-CD1 4.43Å; L64-I67 PolarHBondContact O-N 3.24Å; I67-A69 PolarHBondContact O-N 3.09Å; I67-A69 VanDerWaalsContact O-N 3.09Å; I67-L70 HydrophobicContact CG2-CD1 4.47Å; I67-L70 WeakPolarHBondContact O-CB 3.38Å; I67-L70 PolarHBondContact O-N 3.19Å; I67-F79 HydrophobicContact CG2-CD1 3.88Å; I67-F79 HydrophobicContact CG2-CD2 4.19Å; I67-F79 HydrophobicContact CG2-CE1 4Å; I67-F79 HydrophobicContact CG2-CE2 4.31Å; I67-F79 HydrophobicContact CG2-CG 3.96Å; I67-F79 HydrophobicContact CG2-CZ 4.22Å; I67-F79 WeakPolarHBondContact O-CB 3.34Å
68	N	79.9	Confident	71.1	Confident	60 Å²	60	75.1 Å²	75.1	32%	0.321	41%	0.414	S	S	.	.	H	α-helix	trans	-56.1	-27	178.9	-85.4	-20.1	0	0	0	113.9	L64 S78 F79 G80	L64-N68 PolarHBondContact O-N 2.92Å; N68-S78 VanDerWaalsContact O-CB 3.28Å; N68-S78 WeakPolarHBondContact O-CB 3.35Å; N68-F79 WeakPolarHBondContact OD1-CD1 3.48Å; N68-G80 PolarHBondContact O-N 3.08Å; N68-G80 VanDerWaalsContact O-N 3.16Å
69	A	79	Confident	73.2	Confident	75 Å²	75	72.9 Å²	72.9	62%	0.62	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.5	-12.6	178.5	0	0	0	0	0	114.3	L66 I67	L66-A69 PolarHBondContact O-N 3.22Å; I67-A69 PolarHBondContact O-N 3.09Å; I67-A69 VanDerWaalsContact O-N 3.09Å
70	L	83.7	Confident	75.1	Confident	30 Å²	30	66.7 Å²	66.7	16%	0.157	37%	0.372	C	S	.	.	P	Polyproline II helix	trans	-68.3	127.3	-174.4	-69.4	174.6	0	0	0	112	W50 I67 S78 F79	W50-L70 HydrophobicContact CZ2-CB 4.01Å; W50-L70 HydrophobicContact CZ2-CD1 4.4Å; W50-L70 PolarHBondContact NE1-O 3.2Å; I67-L70 HydrophobicContact CG2-CD1 4.47Å; I67-L70 WeakPolarHBondContact O-CB 3.38Å; I67-L70 PolarHBondContact O-N 3.19Å; L70-S78 CarbonylContact O-C 3.49Å; L70-S78 WeakPolarHBondContact O-CA 3.32Å; L70-F79 PolarHBondContact O-N 2.94Å
71	P	85.1	Confident	77.4	Confident	46 Å²	46	57.8 Å²	57.8	30%	0.299	34%	0.343	S	S	.	.	B	Isolated β-bridge	trans	-73.6	145.3	-178.8	30.1	-34.4	0	0	0	111.8
72	C	87.4	Confident	79.5	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	33%	0.328	C	S	.	.	P	Polyproline II helix	trans	-75.2	129.2	171	178.9	0	0	0	0	110.4	K51 A74 C75 Q76 H77	K51-C72 PolarHBondContact N-SG 3.16Å; K51-C72 VanDerWaalsContact N-SG 3.36Å; C72-A74 PolarHBondContact O-N 3.36Å; C72-A74 VanDerWaalsContact O-N 3.11Å; C72-A74 PolarHBondContact SG-N 2.83Å; C72-A74 VanDerWaalsContact SG-N 3.43Å; C72-C75 PolarHBondContact O-N 3.01Å; C72-Q76 VanDerWaalsContact O-CA 3.23Å; C72-Q76 WeakPolarHBondContact O-CA 3.48Å; C72-Q76 PolarHBondContact O-N 2.97Å; C72-H77 WeakPolarHBondContact CB-O 3.47Å; C72-H77 PolarHBondContact N-O 3.5Å
73	L	87.1	Confident	81.2	Confident	94 Å²	94	49.4 Å²	49.4	49%	0.492	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56	-30.8	176.1	-178.7	66.4	0	0	0	112.8	K51 L53	K51-L73 HydrophobicContact CB-CB 3.95Å; K51-L73 WeakPolarHBondContact O-CB 3.45Å; K51-L73 PolarHBondContact O-N 2.78Å; L53-L73 HydrophobicContact CD1-CB 4.08Å; L53-L73 HydrophobicContact CD1-CD1 3.47Å; L53-L73 VanDerWaalsContact CD1-CD1 3.47Å; L53-L73 HydrophobicContact CD1-CG 4.37Å; L53-L73 HydrophobicContact CG-CD1 4.26Å
74	A	83.9	Confident	82.5	Confident	61 Å²	61	47.3 Å²	47.3	50%	0.504	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-34.4	-175.5	0	0	0	0	0	114	K51 C72	K51-A74 HydrophobicContact CD-CB 4.38Å; C72-A74 PolarHBondContact O-N 3.36Å; C72-A74 VanDerWaalsContact O-N 3.11Å; C72-A74 PolarHBondContact SG-N 2.83Å; C72-A74 VanDerWaalsContact SG-N 3.43Å
75	C	87.8	Confident	83.3	Confident	27 Å²	27	45.6 Å²	45.6	18%	0.182	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-133.8	0.1	-172.4	72	0	0	0	0	115.3	C45 C47 C72 H77 H82	C45-C75 VanDerWaalsContact SG-CB 3.53Å; C47-C75 HydrophobicContact CB-CB 3.59Å; C72-C75 PolarHBondContact O-N 3.01Å; C75-H77 PolarHBondContact O-N 3.35Å; C75-H77 PolarHBondContact O-ND1 3.31Å; C75-H82 VanDerWaalsContact SG-CE1 3.55Å
76	Q	88	Confident	84.2	Confident	125 Å²	125	42.4 Å²	42.4	58%	0.584	26%	0.255	S	S	*	.			trans	60.2	-0.2	-179.2	-56	-64.1	-16.1	0	0	115.7	C72	C72-Q76 VanDerWaalsContact O-CA 3.23Å; C72-Q76 WeakPolarHBondContact O-CA 3.48Å; C72-Q76 PolarHBondContact O-N 2.97Å
77	H	87.9	Confident	84.8	Confident	63 Å²	63	43.2 Å²	43.2	29%	0.292	27%	0.268	S	S	.	.			trans	-73.3	152.9	169.8	-63.4	108.2	0	0	0	111.2	C40 C45 C72 C75 C81	C40-H77 VanDerWaalsContact SG-CB 3.59Å; C40-H77 PolarHBondContact SG-ND1 3.23Å; C45-H77 PolarHBondContact SG-ND1 3.17Å; C45-H77 VanDerWaalsContact SG-ND1 3.45Å; C72-H77 WeakPolarHBondContact CB-O 3.47Å; C72-H77 PolarHBondContact N-O 3.5Å; C75-H77 PolarHBondContact O-N 3.35Å; C75-H77 PolarHBondContact O-ND1 3.31Å; H77-C81 HydrophobicContact CB-CB 3.91Å
78	S	89.6	Confident	85.1	Confident	41 Å²	41	47.7 Å²	47.7	29%	0.287	30%	0.299	S	S	.	.	B	Isolated β-bridge	trans	-64.8	160.1	-177.5	73.7	0	0	0	0	112.8	N68 L70 G80 C81 H82	N68-S78 VanDerWaalsContact O-CB 3.28Å; N68-S78 WeakPolarHBondContact O-CB 3.35Å; L70-S78 CarbonylContact O-C 3.49Å; L70-S78 WeakPolarHBondContact O-CA 3.32Å; S78-G80 PolarHBondContact O-N 2.88Å; S78-G80 PolarHBondContact OG-N 3.42Å; S78-C81 WeakPolarHBondContact O-CB 3.37Å; S78-C81 PolarHBondContact O-N 2.87Å; S78-C81 PolarHBondContact OG-N 3.37Å; S78-H82 PolarHBondContact O-ND1 3.33Å
79	F	87.8	Confident	85.3	Confident	1 Å²	1	47.7 Å²	47.7	0%	0.004	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.8	-39.6	168.9	177.3	-97	0	0	0	111.2	L31 I32 A35 W50 I67 N68 L70 C81 H82 T83	L31-F79 HydrophobicContact CB-CZ 4.26Å; I32-F79 HydrophobicContact CG1-CE2 4.15Å; I32-F79 HydrophobicContact CG1-CZ 4.23Å; A35-F79 HydrophobicContact CB-CD2 4Å; A35-F79 HydrophobicContact CB-CE2 3.33Å; A35-F79 HydrophobicContact CB-CZ 3.9Å; W50-F79 AromaticContact CD2-CD2 3.66Å; W50-F79 HydrophobicContact CD2-CD2 3.66Å; W50-F79 HydrophobicContact CD2-CE2 4.34Å; W50-F79 AromaticContact CE2-CD2 3.7Å; W50-F79 HydrophobicContact CE3-CD2 4.04Å; W50-F79 HydrophobicContact CE3-CE2 4.31Å; W50-F79 AromaticContact CG-CD2 3.92Å; W50-F79 HydrophobicContact CG-CD2 3.92Å; W50-F79 HydrophobicContact CH2-CD2 4.41Å; W50-F79 HydrophobicContact CZ2-CD2 4.1Å; W50-F79 HydrophobicContact CZ3-CD2 4.4Å; W50-F79 AromaticContact NE1-CD2 3.98Å; I67-F79 HydrophobicContact CG2-CD1 3.88Å; I67-F79 HydrophobicContact CG2-CD2 4.19Å; I67-F79 HydrophobicContact CG2-CE1 4Å; I67-F79 HydrophobicContact CG2-CE2 4.31Å; I67-F79 HydrophobicContact CG2-CG 3.96Å; I67-F79 HydrophobicContact CG2-CZ 4.22Å; I67-F79 WeakPolarHBondContact O-CB 3.34Å; N68-F79 WeakPolarHBondContact OD1-CD1 3.48Å; L70-F79 PolarHBondContact O-N 2.94Å; F79-C81 VanDerWaalsContact C-N 3.25Å; F79-C81 PolarHBondContact O-N 3.26Å; F79-H82 WeakPolarHBondContact O-CA 3.44Å; F79-H82 WeakPolarHBondContact O-CB 3.26Å; F79-H82 PolarHBondContact O-N 3.07Å; F79-T83 HydrophobicContact CD1-CG2 3.89Å; F79-T83 HydrophobicContact CE1-CG2 3.35Å; F79-T83 HydrophobicContact CE2-CG2 4.06Å; F79-T83 HydrophobicContact CG-CG2 4.47Å; F79-T83 HydrophobicContact CZ-CG2 3.45Å; F79-T83 VanDerWaalsContact CZ-CG2 3.45Å; F79-T83 PolarHBondContact O-N 3.24Å; F79-T83 PolarHBondContact O-OG1 3.08Å
80	G	86.5	Confident	85.7	Confident	19 Å²	19	46.7 Å²	46.7	20%	0.196	29%	0.285	C	S	.	.	H	α-helix	trans	-51.9	-41.4	174.4	0	0	0	0	0	113.1	N68 S78 H82 T83 V84	N68-G80 PolarHBondContact O-N 3.08Å; N68-G80 VanDerWaalsContact O-N 3.16Å; S78-G80 PolarHBondContact O-N 2.88Å; S78-G80 PolarHBondContact OG-N 3.42Å; G80-H82 PolarHBondContact O-N 3.06Å; G80-H82 VanDerWaalsContact O-N 3.12Å; G80-T83 WeakPolarHBondContact CA-OG1 3.27Å; G80-T83 PolarHBondContact O-N 2.75Å; G80-T83 VanDerWaalsContact O-N 3.09Å; G80-T83 PolarHBondContact O-OG1 2.87Å; G80-V84 WeakPolarHBondContact O-CG2 3.12Å; G80-V84 PolarHBondContact O-N 3.27Å; G80-V84 VanDerWaalsContact O-N 3.08Å
81	C	88.1	Confident	85.7	Confident	32 Å²	32	49 Å²	49	22%	0.216	31%	0.308	C	S	.	.	H	α-helix	trans	-63	-18.5	176.8	-64.4	0	0	0	0	114.1	Q41 H77 S78 F79	Q41-C81 PolarHBondContact N-O 3.3Å; H77-C81 HydrophobicContact CB-CB 3.91Å; S78-C81 WeakPolarHBondContact O-CB 3.37Å; S78-C81 PolarHBondContact O-N 2.87Å; S78-C81 PolarHBondContact OG-N 3.37Å; F79-C81 VanDerWaalsContact C-N 3.25Å; F79-C81 PolarHBondContact O-N 3.26Å
82	H	87.1	Confident	85.7	Confident	1 Å²	1	53 Å²	53	1%	0.005	33%	0.327	C	S	.	.	H	α-helix	trans	-100.3	-10	178.6	-59.8	73.4	0	0	0	112.4	A35 S38 C40 C47 W50 C75 S78 F79 G80	A35-H82 HydrophobicContact CB-CB 4.41Å; S38-H82 WeakPolarHBondContact CB-O 3.13Å; S38-H82 PolarHBondContact OG-O 2.92Å; C40-H82 WeakPolarHBondContact CB-NE2 3.41Å; C47-H82 PolarHBondContact SG-NE2 3.4Å; C47-H82 VanDerWaalsContact SG-NE2 3.44Å; W50-H82 HydrophobicContact CB-CB 3.99Å; W50-H82 AromaticContact CD1-ND1 3.9Å; W50-H82 PolarHBondContact N-CD2 2.91Å; W50-H82 VanDerWaalsContact N-CD2 3.34Å; C75-H82 VanDerWaalsContact SG-CE1 3.55Å; S78-H82 PolarHBondContact O-ND1 3.33Å; F79-H82 WeakPolarHBondContact O-CA 3.44Å; F79-H82 WeakPolarHBondContact O-CB 3.26Å; F79-H82 PolarHBondContact O-N 3.07Å; G80-H82 PolarHBondContact O-N 3.06Å; G80-H82 VanDerWaalsContact O-N 3.12Å
83	T	87.3	Confident	85.7	Confident	17 Å²	17	55.6 Å²	55.6	10%	0.104	34%	0.339	C	S	.	.	H	α-helix	trans	-111.3	-5.7	179.3	56.3	0	0	0	0	114	A35 F79 G80 Q85 L86 S87	A35-T83 HydrophobicContact CB-CG2 3.87Å; F79-T83 HydrophobicContact CD1-CG2 3.89Å; F79-T83 HydrophobicContact CE1-CG2 3.35Å; F79-T83 HydrophobicContact CE2-CG2 4.06Å; F79-T83 HydrophobicContact CG-CG2 4.47Å; F79-T83 HydrophobicContact CZ-CG2 3.45Å; F79-T83 VanDerWaalsContact CZ-CG2 3.45Å; F79-T83 PolarHBondContact O-N 3.24Å; F79-T83 PolarHBondContact O-OG1 3.08Å; G80-T83 WeakPolarHBondContact CA-OG1 3.27Å; G80-T83 PolarHBondContact O-N 2.75Å; G80-T83 VanDerWaalsContact O-N 3.09Å; G80-T83 PolarHBondContact O-OG1 2.87Å; T83-Q85 PolarHBondContact O-N 2.96Å; T83-Q85 VanDerWaalsContact O-N 3.14Å; T83-L86 HydrophobicContact CG2-CD1 4.3Å; T83-L86 WeakPolarHBondContact O-CA 3.39Å; T83-L86 WeakPolarHBondContact O-CB 3.35Å; T83-L86 PolarHBondContact O-N 3.21Å; T83-S87 PolarHBondContact O-N 2.98Å
84	V	85.2	Confident	85.7	Confident	79 Å²	79	53.3 Å²	53.3	48%	0.479	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.2	-43.6	177.6	-176.1	0	0	0	0	112.7	Q41 G80 L86 S87	Q41-V84 HydrophobicContact CB-CG2 4.42Å; Q41-V84 HydrophobicContact CG-CB 4.22Å; G80-V84 WeakPolarHBondContact O-CG2 3.12Å; G80-V84 PolarHBondContact O-N 3.27Å; G80-V84 VanDerWaalsContact O-N 3.08Å; V84-L86 VanDerWaalsContact C-N 3.27Å; V84-L86 PolarHBondContact O-N 3.14Å; V84-S87 PolarHBondContact O-OG 2.78Å
85	Q	82.3	Confident	85.8	Confident	32 Å²	32	54 Å²	54	15%	0.15	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-21.7	-179	65.1	-173.5	9.7	0	0	113.6	S38 T83 S88 S135	S38-Q85 VanDerWaalsContact CB-NE2 3.31Å; S38-Q85 PolarHBondContact OG-NE2 2.86Å; T83-Q85 PolarHBondContact O-N 2.96Å; T83-Q85 VanDerWaalsContact O-N 3.14Å; Q85-S88 PolarHBondContact O-OG 3.13Å; Q85-S135 PolarHBondContact NE2-O 2.91Å; Q85-S135 PolarHBondContact OE1-O 3.25Å
86	L	83.7	Confident	85.8	Confident	2 Å²	2	55.7 Å²	55.7	1%	0.01	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-26.3	-178.2	-55.8	177.3	0	0	0	112	L31 L34 T83 V84 S88 K89 L94 L97	L31-L86 HydrophobicContact CD2-CD1 4.41Å; L34-L86 HydrophobicContact CB-CD1 3.54Å; L34-L86 HydrophobicContact CD1-CD1 4.18Å; L34-L86 HydrophobicContact CD1-CD2 4.46Å; T83-L86 HydrophobicContact CG2-CD1 4.3Å; T83-L86 WeakPolarHBondContact O-CA 3.39Å; T83-L86 WeakPolarHBondContact O-CB 3.35Å; T83-L86 PolarHBondContact O-N 3.21Å; V84-L86 VanDerWaalsContact C-N 3.27Å; V84-L86 PolarHBondContact O-N 3.14Å; L86-S88 PolarHBondContact O-N 3.1Å; L86-K89 WeakPolarHBondContact O-CB 3.26Å; L86-K89 PolarHBondContact O-N 2.91Å; L86-L94 HydrophobicContact CB-CD2 4.07Å; L86-L94 HydrophobicContact CD2-CD2 4.39Å; L86-L97 HydrophobicContact CD2-CD1 4Å
87	S	79	Confident	85.8	Confident	101 Å²	101	49.9 Å²	49.9	71%	0.706	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-22.5	-177.9	60.4	0	0	0	0	113.7	T83 V84 K89	T83-S87 PolarHBondContact O-N 2.98Å; V84-S87 PolarHBondContact O-OG 2.78Å; S87-K89 VanDerWaalsContact C-N 3.34Å
88	S	80.7	Confident	85.8	Confident	96 Å²	96	47.8 Å²	47.8	67%	0.671	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.8	-5	177.8	66.9	0	0	0	0	114.6	Q85 L86	Q85-S88 PolarHBondContact O-OG 3.13Å; L86-S88 PolarHBondContact O-N 3.1Å
89	K	84.2	Confident	85.7	Confident	60 Å²	60	48.7 Å²	48.7	26%	0.261	29%	0.29	S	S	.	.	S	Bend	trans	-92.3	147.7	-170.3	-64.9	-65.8	-171.9	177.4	0	112.3	L86 S87 E93 L94 G137	L86-K89 WeakPolarHBondContact O-CB 3.26Å; L86-K89 PolarHBondContact O-N 2.91Å; S87-K89 VanDerWaalsContact C-N 3.34Å; K89-E93 WeakPolarHBondContact CA-OE2 3.37Å; K89-E93 HydrophobicContact CB-CB 4.09Å; K89-E93 HydrophobicContact CD-CB 4.25Å; K89-E93 VanDerWaalsContact CD-CD 3.46Å; K89-E93 HydrophobicContact CD-CG 4.49Å; K89-E93 WeakPolarHBondContact CD-OE1 3.34Å; K89-E93 WeakPolarHBondContact CD-OE2 3.35Å; K89-E93 IonicContact NZ-OE1 3.57Å; K89-E93 PolarHBondContact NZ-OE1 2.78Å; K89-L94 HydrophobicContact CB-CD2 4.02Å; K89-L94 HydrophobicContact CB-CG 4.01Å; K89-G137 WeakPolarHBondContact CE-O 3.38Å; K89-G137 PolarHBondContact NZ-O 3.24Å
90	S	86.6	Confident	85.8	Confident	54 Å²	54	48.7 Å²	48.7	38%	0.378	29%	0.29	S	S	.	.			trans	-68.7	162.2	173.4	79.6	0	0	0	0	111.5	D92 E93 L94	S90-D92 PolarHBondContact O-N 2.98Å; S90-D92 PolarHBondContact OG-N 2.9Å; S90-E93 PolarHBondContact N-OE2 2.87Å; S90-E93 PolarHBondContact O-N 2.8Å; S90-E93 WeakPolarHBondContact OG-CG 3.36Å; S90-E93 PolarHBondContact OG-N 3.3Å; S90-E93 VanDerWaalsContact OG-N 3.17Å; S90-L94 WeakPolarHBondContact O-CG 3.39Å; S90-L94 PolarHBondContact O-N 2.93Å
91	A	84.6	Confident	85.9	Confident	79 Å²	79	48.2 Å²	48.2	65%	0.653	29%	0.285	S	S	*	.	H	α-helix	trans	-58.1	-38.1	175.9	0	0	0	0	0	112.2	L94 E95	A91-L94 PolarHBondContact O-N 2.94Å; A91-E95 PolarHBondContact O-N 3.14Å
92	D	85.7	Confident	86	Confident	128 Å²	128	51.2 Å²	51.2	68%	0.684	30%	0.295	S	S	*	.	H	α-helix	trans	-67	-42	177.3	-62.4	-29.1	0	0	0	111.8	S90 L94 E95 E96	S90-D92 PolarHBondContact O-N 2.98Å; S90-D92 PolarHBondContact OG-N 2.9Å; D92-L94 VanDerWaalsContact C-N 3.34Å; D92-L94 PolarHBondContact O-N 3.12Å; D92-E95 PolarHBondContact O-N 3.44Å; D92-E96 WeakPolarHBondContact O-CG 3.36Å; D92-E96 PolarHBondContact O-N 2.89Å
93	E	87.3	Confident	86.2	Confident	56 Å²	56	51.2 Å²	51.2	26%	0.262	30%	0.296	S	S	.	.	H	α-helix	trans	-63.1	-41.4	175.5	-73.8	-176.8	108.9	0	0	111.6	K89 S90 E95 E96 L97 I139	K89-E93 WeakPolarHBondContact CA-OE2 3.37Å; K89-E93 HydrophobicContact CB-CB 4.09Å; K89-E93 HydrophobicContact CD-CB 4.25Å; K89-E93 VanDerWaalsContact CD-CD 3.46Å; K89-E93 HydrophobicContact CD-CG 4.49Å; K89-E93 WeakPolarHBondContact CD-OE1 3.34Å; K89-E93 WeakPolarHBondContact CD-OE2 3.35Å; K89-E93 IonicContact NZ-OE1 3.57Å; K89-E93 PolarHBondContact NZ-OE1 2.78Å; S90-E93 PolarHBondContact N-OE2 2.87Å; S90-E93 PolarHBondContact O-N 2.8Å; S90-E93 WeakPolarHBondContact OG-CG 3.36Å; S90-E93 PolarHBondContact OG-N 3.3Å; S90-E93 VanDerWaalsContact OG-N 3.17Å; E93-E95 VanDerWaalsContact C-N 3.33Å; E93-E95 PolarHBondContact O-N 3.41Å; E93-E96 PolarHBondContact O-N 3.21Å; E93-L97 VanDerWaalsContact O-CG 3.29Å; E93-L97 WeakPolarHBondContact O-CG 3.07Å; E93-L97 PolarHBondContact O-N 3.48Å; E93-I139 HydrophobicContact CG-CD1 4.39Å
94	L	85.9	Confident	86.3	Confident	45 Å²	45	50.4 Å²	50.4	24%	0.236	29%	0.291	C	S	.	.	H	α-helix	trans	-65.2	-37.2	177.4	-71.4	174.5	0	0	0	112.2	L34 L86 K89 S90 A91 D92 L97 A98	L34-L94 HydrophobicContact CD1-CD2 4.01Å; L86-L94 HydrophobicContact CB-CD2 4.07Å; L86-L94 HydrophobicContact CD2-CD2 4.39Å; K89-L94 HydrophobicContact CB-CD2 4.02Å; K89-L94 HydrophobicContact CB-CG 4.01Å; S90-L94 WeakPolarHBondContact O-CG 3.39Å; S90-L94 PolarHBondContact O-N 2.93Å; A91-L94 PolarHBondContact O-N 2.94Å; D92-L94 VanDerWaalsContact C-N 3.34Å; D92-L94 PolarHBondContact O-N 3.12Å; L94-L97 PolarHBondContact O-N 3.24Å; L94-A98 WeakPolarHBondContact O-CB 3.13Å; L94-A98 PolarHBondContact O-N 3.44Å
95	E	86.5	Confident	86.5	Confident	75 Å²	75	49.7 Å²	49.7	35%	0.35	28%	0.282	S	S	.	.	H	α-helix	trans	-66.7	-41.5	175.9	-171	59	-150.9	0	0	111.4	R30 A91 D92 E93 A98 K99	R30-E95 IonicContact NH1-OE2 3.11Å; R30-E95 PolarHBondContact NH1-OE2 3.37Å; R30-E95 VanDerWaalsContact NH1-OE2 3.11Å; A91-E95 PolarHBondContact O-N 3.14Å; D92-E95 PolarHBondContact O-N 3.44Å; E93-E95 VanDerWaalsContact C-N 3.33Å; E93-E95 PolarHBondContact O-N 3.41Å; E95-A98 WeakPolarHBondContact O-CB 3.46Å; E95-A98 PolarHBondContact O-N 3.47Å; E95-K99 WeakPolarHBondContact O-CG 3.32Å; E95-K99 PolarHBondContact O-N 3.34Å
96	E	87.4	Confident	86.8	Confident	64 Å²	64	51.1 Å²	51.1	30%	0.299	29%	0.289	S	S	.	.	H	α-helix	trans	-64.1	-41.1	174.3	-73.9	-57.2	125.1	0	0	112.7	D92 E93 A98 K99 C100	D92-E96 WeakPolarHBondContact O-CG 3.36Å; D92-E96 PolarHBondContact O-N 2.89Å; E93-E96 PolarHBondContact O-N 3.21Å; E96-A98 VanDerWaalsContact C-N 3.29Å; E96-A98 PolarHBondContact O-N 3.45Å; E96-K99 PolarHBondContact O-N 3.07Å; E96-K99 IonicContact OE1-NZ 3.12Å; E96-K99 PolarHBondContact OE1-NZ 3.3Å; E96-C100 PolarHBondContact O-N 2.96Å
97	L	88.5	Confident	87.2	Confident	3 Å²	3	51.1 Å²	51.1	2%	0.016	29%	0.289	C	S	.	.	H	α-helix	trans	-64.5	-35	173.3	-68.1	174.6	0	0	0	111.8	L34 L86 E93 L94 C100 A101 L134	L34-L97 HydrophobicContact CD1-CB 4.45Å; L34-L97 HydrophobicContact CD2-CB 3.76Å; L34-L97 WeakPolarHBondContact CD2-O 3.27Å; L86-L97 HydrophobicContact CD2-CD1 4Å; E93-L97 VanDerWaalsContact O-CG 3.29Å; E93-L97 WeakPolarHBondContact O-CG 3.07Å; E93-L97 PolarHBondContact O-N 3.48Å; L94-L97 PolarHBondContact O-N 3.24Å; L97-C100 WeakPolarHBondContact O-CB 3.36Å; L97-C100 PolarHBondContact O-N 2.94Å; L97-A101 PolarHBondContact O-N 2.98Å; L97-L134 HydrophobicContact CB-CD1 4Å; L97-L134 HydrophobicContact CD2-CD1 3.89Å; L97-L134 HydrophobicContact CG-CD1 4.46Å
98	A	87.7	Confident	87.6	Confident	19 Å²	19	50.6 Å²	50.6	16%	0.157	27%	0.271	C	S	.	.	H	α-helix	trans	-67.2	-40.9	176.7	0	0	0	0	0	111.8	L94 E95 E96 C100 A101 Q102	L94-A98 WeakPolarHBondContact O-CB 3.13Å; L94-A98 PolarHBondContact O-N 3.44Å; E95-A98 WeakPolarHBondContact O-CB 3.46Å; E95-A98 PolarHBondContact O-N 3.47Å; E96-A98 VanDerWaalsContact C-N 3.29Å; E96-A98 PolarHBondContact O-N 3.45Å; A98-C100 VanDerWaalsContact C-N 3.34Å; A98-A101 PolarHBondContact O-N 3.36Å; A98-Q102 PolarHBondContact O-N 2.83Å
99	K	88.7	Confident	88	Confident	59 Å²	59	48.8 Å²	48.8	26%	0.257	25%	0.253	S	S	.	.	H	α-helix	trans	-62.5	-40.1	172	-66.4	173.7	-170.2	165	0	111.8	E95 E96 Q102 A103 Y235	E95-K99 WeakPolarHBondContact O-CG 3.32Å; E95-K99 PolarHBondContact O-N 3.34Å; E96-K99 PolarHBondContact O-N 3.07Å; E96-K99 IonicContact OE1-NZ 3.12Å; E96-K99 PolarHBondContact OE1-NZ 3.3Å; K99-Q102 PolarHBondContact O-N 3.42Å; K99-A103 PolarHBondContact O-N 2.99Å; K99-Y235 HydrophobicContact CB-CD2 3.75Å; K99-Y235 HydrophobicContact CB-CE2 4.3Å
100	C	89.5	Confident	88.3	Confident	1 Å²	1	46.8 Å²	46.8	1%	0.007	25%	0.248	C	C	.	.	H	α-helix	trans	-58.3	-48.9	173.6	177	0	0	0	0	111.6	E96 L97 A98 Q102 A103 M104 Y235	E96-C100 PolarHBondContact O-N 2.96Å; L97-C100 WeakPolarHBondContact O-CB 3.36Å; L97-C100 PolarHBondContact O-N 2.94Å; A98-C100 VanDerWaalsContact C-N 3.34Å; C100-Q102 VanDerWaalsContact C-N 3.31Å; C100-Q102 PolarHBondContact O-N 3.33Å; C100-A103 PolarHBondContact O-N 2.99Å; C100-M104 WeakPolarHBondContact O-CG 3.36Å; C100-M104 PolarHBondContact O-N 2.82Å; C100-Y235 HydrophobicContact CB-CD2 4.33Å; C100-Y235 HydrophobicContact CB-CE1 4.41Å; C100-Y235 HydrophobicContact CB-CE2 3.73Å
101	A	88.9	Confident	88.4	Confident	9 Å²	9	46.4 Å²	46.4	7%	0.074	24%	0.241	C	C	.	.	H	α-helix	trans	-62.1	-36.5	176.8	0	0	0	0	0	112.8	L34 Y37 L97 A98 M104 E105 L134	L34-A101 HydrophobicContact CD2-CB 4.34Å; Y37-A101 HydrophobicContact CD2-CB 4.16Å; Y37-A101 HydrophobicContact CE2-CB 4.11Å; L97-A101 PolarHBondContact O-N 2.98Å; A98-A101 PolarHBondContact O-N 3.36Å; A101-M104 PolarHBondContact O-N 2.91Å; A101-E105 PolarHBondContact O-N 3.46Å; A101-L134 HydrophobicContact CB-CD2 3.84Å
102	Q	89.5	Confident	88.6	Confident	95 Å²	95	49.2 Å²	49.2	44%	0.444	24%	0.241	S	C	.	.	H	α-helix	trans	-66.2	-43.1	174.4	-179.8	175.1	-13.9	0	0	111.9	A98 K99 C100 M104 E105 Q106	A98-Q102 PolarHBondContact O-N 2.83Å; K99-Q102 PolarHBondContact O-N 3.42Å; C100-Q102 VanDerWaalsContact C-N 3.31Å; C100-Q102 PolarHBondContact O-N 3.33Å; Q102-M104 VanDerWaalsContact C-N 3.32Å; Q102-M104 PolarHBondContact O-N 3.48Å; Q102-E105 PolarHBondContact O-N 3.31Å; Q102-Q106 WeakPolarHBondContact O-CG 3.22Å; Q102-Q106 PolarHBondContact O-N 2.85Å
103	A	91	Very high	88.7	Confident	1 Å²	1	52.5 Å²	52.5	1%	0.008	24%	0.243	C	C	.	.	H	α-helix	trans	-61.3	-40.6	176	0	0	0	0	0	111.8	K99 C100 E105 Q106 F107 L130 C233 Y235	K99-A103 PolarHBondContact O-N 2.99Å; C100-A103 PolarHBondContact O-N 2.99Å; A103-E105 VanDerWaalsContact C-N 3.33Å; A103-E105 PolarHBondContact O-N 2.87Å; A103-Q106 PolarHBondContact O-N 3Å; A103-F107 WeakPolarHBondContact O-CD2 3.17Å; A103-F107 VanDerWaalsContact O-CG 3.31Å; A103-F107 WeakPolarHBondContact O-CG 3.25Å; A103-F107 PolarHBondContact O-N 3.47Å; A103-L130 HydrophobicContact CB-CD1 3.87Å; A103-C233 HydrophobicContact CB-CB 4Å; A103-Y235 HydrophobicContact CB-CG 4.31Å
104	M	89.5	Confident	88.8	Confident	0 Å²	0	51 Å²	51	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-58.6	-42.6	173.9	-71.9	178.2	58.9	0	0	112.6	Y37 C100 A101 Q102 F107 R108 F127 L130 R131 L134	Y37-M104 HydrophobicContact CD1-CE 3.57Å; Y37-M104 HydrophobicContact CD1-SD 4.43Å; Y37-M104 HydrophobicContact CE1-CE 3.5Å; Y37-M104 HydrophobicContact CG-CE 4.35Å; C100-M104 WeakPolarHBondContact O-CG 3.36Å; C100-M104 PolarHBondContact O-N 2.82Å; A101-M104 PolarHBondContact O-N 2.91Å; Q102-M104 VanDerWaalsContact C-N 3.32Å; Q102-M104 PolarHBondContact O-N 3.48Å; M104-F107 PolarHBondContact O-N 2.68Å; M104-R108 PolarHBondContact O-N 3.35Å; M104-F127 HydrophobicContact CB-CD2 4.01Å; M104-F127 HydrophobicContact CB-CE2 3.94Å; M104-F127 HydrophobicContact CE-CD2 4.34Å; M104-F127 HydrophobicContact CE-CE1 4.32Å; M104-F127 HydrophobicContact CE-CE2 3.82Å; M104-F127 HydrophobicContact CE-CZ 3.81Å; M104-F127 HydrophobicContact CG-CD2 4.4Å; M104-F127 WeakPolarHBondContact O-CD2 3.28Å; M104-F127 WeakPolarHBondContact O-CE2 3.37Å; M104-L130 HydrophobicContact CG-CB 3.55Å; M104-L130 HydrophobicContact CG-CD1 3.9Å; M104-L130 HydrophobicContact CG-CG 4.41Å; M104-L130 HydrophobicContact SD-CB 3.99Å; M104-R131 HydrophobicContact CE-CB 3.49Å; M104-R131 VanDerWaalsContact CE-CB 3.49Å; M104-R131 HydrophobicContact CE-CG 3.87Å; M104-R131 HydrophobicContact SD-CB 4.17Å; M104-L134 HydrophobicContact SD-CB 4.49Å; M104-L134 HydrophobicContact SD-CD2 3.71Å
105	E	88.4	Confident	88.7	Confident	65 Å²	65	54.8 Å²	54.8	30%	0.304	26%	0.262	S	S	.	.	H	α-helix	trans	-66.9	-39	177.9	-179.2	59.2	-168.2	0	0	111.9	A101 Q102 A103 F107 R108 I109	A101-E105 PolarHBondContact O-N 3.46Å; Q102-E105 PolarHBondContact O-N 3.31Å; A103-E105 VanDerWaalsContact C-N 3.33Å; A103-E105 PolarHBondContact O-N 2.87Å; E105-F107 PolarHBondContact O-N 2.94Å; E105-R108 WeakPolarHBondContact O-CB 3.48Å; E105-R108 PolarHBondContact O-N 3.35Å; E105-R108 IonicContact OE1-CZ 3.97Å; E105-R108 IonicContact OE1-NE 2.7Å; E105-R108 PolarHBondContact OE1-NE 3.01Å; E105-R108 IonicContact OE1-NH2 2.7Å; E105-R108 PolarHBondContact OE1-NH2 2.92Å; E105-R108 IonicContact OE2-CZ 3.35Å; E105-R108 IonicContact OE2-NE 2.68Å; E105-R108 PolarHBondContact OE2-NE 3.47Å; E105-R108 IonicContact OE2-NH2 2.65Å; E105-I109 HydrophobicContact CG-CD1 4.3Å; E105-I109 WeakPolarHBondContact O-CG1 3.25Å; E105-I109 PolarHBondContact O-N 3.26Å
106	Q	90.2	Very high	88.5	Confident	62 Å²	62	51.7 Å²	51.7	29%	0.29	25%	0.249	S	C	.	.	H	α-helix	trans	-62.5	-41.9	174	-70.9	174.2	-47.3	0	0	111.7	Q102 A103 I109 A110 L232	Q102-Q106 WeakPolarHBondContact O-CG 3.22Å; Q102-Q106 PolarHBondContact O-N 2.85Å; A103-Q106 PolarHBondContact O-N 3Å; Q106-I109 PolarHBondContact O-N 3.45Å; Q106-A110 WeakPolarHBondContact O-CB 3.44Å; Q106-A110 PolarHBondContact O-N 3.28Å; Q106-L232 PolarHBondContact NE2-O 2.84Å; Q106-L232 VanDerWaalsContact NE2-O 3.15Å
107	F	91.1	Very high	87.9	Confident	1 Å²	1	52.3 Å²	52.3	0%	0.004	26%	0.26	C	S	.	.	H	α-helix	trans	-65.2	-39.6	174.5	-63.4	-26.7	0	0	0	112.6	A103 M104 E105 I109 A110 M111 Y123 L126 F127 L130 V229 C233 F236	A103-F107 WeakPolarHBondContact O-CD2 3.17Å; A103-F107 VanDerWaalsContact O-CG 3.31Å; A103-F107 WeakPolarHBondContact O-CG 3.25Å; A103-F107 PolarHBondContact O-N 3.47Å; M104-F107 PolarHBondContact O-N 2.68Å; E105-F107 PolarHBondContact O-N 2.94Å; F107-I109 VanDerWaalsContact C-N 3.3Å; F107-I109 PolarHBondContact O-N 2.92Å; F107-A110 PolarHBondContact O-N 2.9Å; F107-M111 WeakPolarHBondContact O-CB 3.42Å; F107-M111 VanDerWaalsContact O-CG 3.23Å; F107-M111 WeakPolarHBondContact O-CG 3.37Å; F107-M111 PolarHBondContact O-N 3.22Å; F107-Y123 AromaticContact CD1-CD1 3.74Å; F107-Y123 HydrophobicContact CD1-CD1 3.74Å; F107-Y123 HydrophobicContact CD1-CE1 4.14Å; F107-Y123 HydrophobicContact CE1-CD1 4.29Å; F107-Y123 HydrophobicContact CE1-CE1 4.49Å; F107-Y123 HydrophobicContact CG-CD1 4.34Å; F107-L126 HydrophobicContact CD2-CB 3.97Å; F107-L126 HydrophobicContact CE2-CB 3.58Å; F107-L126 HydrophobicContact CE2-CD1 4.3Å; F107-L126 HydrophobicContact CZ-CB 4.16Å; F107-L126 HydrophobicContact CZ-CD1 4.02Å; F107-F127 HydrophobicContact CB-CB 4.4Å; F107-F127 HydrophobicContact CB-CD2 4.46Å; F107-L130 HydrophobicContact CD2-CD1 3.94Å; F107-L130 HydrophobicContact CE2-CD1 3.53Å; F107-V229 HydrophobicContact CE1-CG1 3.75Å; F107-V229 HydrophobicContact CZ-CG1 3.57Å; F107-C233 VanDerWaalsContact CZ-SG 3.57Å; F107-F236 AromaticContact CE2-CE2 3.75Å; F107-F236 HydrophobicContact CE2-CE2 3.75Å; F107-F236 HydrophobicContact CE2-CZ 4.38Å; F107-F236 HydrophobicContact CZ-CD2 4.16Å; F107-F236 AromaticContact CZ-CE2 3.55Å; F107-F236 HydrophobicContact CZ-CE2 3.55Å
108	R	87.7	Confident	87.5	Confident	90 Å²	90	52.3 Å²	52.3	34%	0.34	26%	0.26	S	S	.	.	H	α-helix	trans	-57.6	-44.9	173.9	-169.5	-166.5	67.1	68.6	-2	111.4	M104 E105 Q112 F127	M104-R108 PolarHBondContact O-N 3.35Å; E105-R108 WeakPolarHBondContact O-CB 3.48Å; E105-R108 PolarHBondContact O-N 3.35Å; E105-R108 IonicContact OE1-CZ 3.97Å; E105-R108 IonicContact OE1-NE 2.7Å; E105-R108 PolarHBondContact OE1-NE 3.01Å; E105-R108 IonicContact OE1-NH2 2.7Å; E105-R108 PolarHBondContact OE1-NH2 2.92Å; E105-R108 IonicContact OE2-CZ 3.35Å; E105-R108 IonicContact OE2-NE 2.68Å; E105-R108 PolarHBondContact OE2-NE 3.47Å; E105-R108 IonicContact OE2-NH2 2.65Å; R108-Q112 VanDerWaalsContact NH1-CD 3.33Å; R108-Q112 VanDerWaalsContact NH1-OE1 3.11Å; R108-Q112 WeakPolarHBondContact O-CG 3.36Å; R108-Q112 PolarHBondContact O-N 3.36Å; R108-F127 HydrophobicContact CB-CE2 4.37Å
109	I	90	Very high	87.5	Confident	58 Å²	58	51.4 Å²	51.4	30%	0.297	25%	0.252	S	S	.	.	H	α-helix	trans	-67.8	-42.9	177.3	-65.2	166	0	0	0	110.9	E105 Q106 F107 Q112 R113	E105-I109 HydrophobicContact CG-CD1 4.3Å; E105-I109 WeakPolarHBondContact O-CG1 3.25Å; E105-I109 PolarHBondContact O-N 3.26Å; Q106-I109 PolarHBondContact O-N 3.45Å; F107-I109 VanDerWaalsContact C-N 3.3Å; F107-I109 PolarHBondContact O-N 2.92Å; I109-Q112 PolarHBondContact O-N 2.74Å; I109-R113 PolarHBondContact O-N 3.3Å
110	A	90.2	Very high	87.4	Confident	19 Å²	19	52.3 Å²	52.3	16%	0.157	26%	0.256	C	S	.	.	H	α-helix	trans	-61.4	-46.2	178.6	0	0	0	0	0	111.6	Q106 F107 Q112 R113 E114 Y123	Q106-A110 WeakPolarHBondContact O-CB 3.44Å; Q106-A110 PolarHBondContact O-N 3.28Å; F107-A110 PolarHBondContact O-N 2.9Å; A110-Q112 VanDerWaalsContact C-N 3.29Å; A110-Q112 PolarHBondContact O-N 2.72Å; A110-R113 PolarHBondContact O-N 3.42Å; A110-E114 WeakPolarHBondContact O-CB 3.5Å; A110-E114 PolarHBondContact O-N 3.05Å; A110-Y123 HydrophobicContact CB-CD1 4.24Å; A110-Y123 HydrophobicContact CB-CD2 4.35Å; A110-Y123 HydrophobicContact CB-CE1 3.84Å; A110-Y123 HydrophobicContact CB-CE2 3.96Å; A110-Y123 HydrophobicContact CB-CG 4.47Å
111	M	88.9	Confident	87	Confident	46 Å²	46	56.2 Å²	56.2	23%	0.227	27%	0.274	C	S	.	.	H	α-helix	trans	-58.4	-37.1	176.9	-74.3	175.1	65.6	0	0	113.5	F107 R113 K120 Y123 Q124	F107-M111 WeakPolarHBondContact O-CB 3.42Å; F107-M111 VanDerWaalsContact O-CG 3.23Å; F107-M111 WeakPolarHBondContact O-CG 3.37Å; F107-M111 PolarHBondContact O-N 3.22Å; M111-R113 VanDerWaalsContact C-N 3.28Å; M111-R113 PolarHBondContact O-N 3.02Å; M111-K120 VanDerWaalsContact O-CE 3.3Å; M111-K120 WeakPolarHBondContact O-CE 3.26Å; M111-Y123 HydrophobicContact CG-CD2 4.25Å; M111-Y123 HydrophobicContact CG-CG 4.09Å; M111-Q124 HydrophobicContact CE-CB 3.78Å; M111-Q124 HydrophobicContact CE-CG 4.17Å; M111-Q124 HydrophobicContact SD-CB 4.23Å
112	Q	87.6	Confident	86.9	Confident	138 Å²	138	56 Å²	56	65%	0.645	27%	0.272	S	S	*	.	H	α-helix	trans	-67.8	-29.3	178	-74.9	179.4	-22.4	0	0	112.6	R108 I109 A110	R108-Q112 VanDerWaalsContact NH1-CD 3.33Å; R108-Q112 VanDerWaalsContact NH1-OE1 3.11Å; R108-Q112 WeakPolarHBondContact O-CG 3.36Å; R108-Q112 PolarHBondContact O-N 3.36Å; I109-Q112 PolarHBondContact O-N 2.74Å; A110-Q112 VanDerWaalsContact C-N 3.29Å; A110-Q112 PolarHBondContact O-N 2.72Å
113	R	89.2	Confident	86.8	Confident	196 Å²	196	51.8 Å²	51.8	74%	0.74	25%	0.252	S	S	*	.	H	α-helix	trans	-94.2	-22.1	-178.4	-65.3	178	179	-177.3	-0.4	113.2	I109 A110 M111	I109-R113 PolarHBondContact O-N 3.3Å; A110-R113 PolarHBondContact O-N 3.42Å; M111-R113 VanDerWaalsContact C-N 3.28Å; M111-R113 PolarHBondContact O-N 3.02Å
114	E	87.8	Confident	86.5	Confident	24 Å²	24	54.4 Å²	54.4	11%	0.112	26%	0.264	C	S	.	.			trans	-66.7	142.6	-176.4	-173	52.5	-106.7	0	0	111.2	A110 S116 D119 K120 Y123	A110-E114 WeakPolarHBondContact O-CB 3.5Å; A110-E114 PolarHBondContact O-N 3.05Å; E114-S116 WeakPolarHBondContact OE1-CB 3.5Å; E114-S116 PolarHBondContact OE1-N 2.96Å; E114-D119 HydrophobicContact CG-CB 3.69Å; E114-K120 HydrophobicContact CB-CG 3.87Å; E114-K120 HydrophobicContact CG-CG 3.88Å; E114-K120 WeakPolarHBondContact O-CE 3.5Å; E114-K120 PolarHBondContact O-NZ 3.26Å; E114-Y123 HydrophobicContact CB-CE2 4.4Å; E114-Y123 HydrophobicContact CG-CE2 4.3Å
115	T	84.7	Confident	86.2	Confident	126 Å²	126	54.7 Å²	54.7	77%	0.773	27%	0.265	S	S	*	.			trans	-105.3	-31.4	176.5	55.3	0	0	0	0	111.1	S117	T115-S117 PolarHBondContact O-N 2.88Å
116	S	81.6	Confident	86.1	Confident	10 Å²	10	51.6 Å²	51.6	7%	0.07	25%	0.251	C	S	.	.			trans	-68	125	176.9	175.2	0	0	0	0	111.4	E114 H118 D119 K120 Q198	E114-S116 WeakPolarHBondContact OE1-CB 3.5Å; E114-S116 PolarHBondContact OE1-N 2.96Å; S116-H118 PolarHBondContact O-N 2.91Å; S116-H118 PolarHBondContact OG-N 3.41Å; S116-D119 PolarHBondContact OG-N 2.93Å; S116-K120 WeakPolarHBondContact O-CG 3.35Å; S116-K120 PolarHBondContact O-N 3.22Å; S116-Q198 VanDerWaalsContact CB-CD 3.46Å
117	S	75.7	Confident	86	Confident	76 Å²	76	49.9 Å²	49.9	53%	0.531	24%	0.243	S	C	.	.	H	α-helix	trans	-60.2	-38.2	171.6	54	0	0	0	0	111.3	T115 K120 E121	T115-S117 PolarHBondContact O-N 2.88Å; S117-K120 WeakPolarHBondContact O-CB 3.49Å; S117-K120 PolarHBondContact O-N 2.78Å; S117-E121 WeakPolarHBondContact O-CG 3.46Å; S117-E121 PolarHBondContact O-N 3.29Å; S117-E121 VanDerWaalsContact O-N 3.07Å
118	H	80	Confident	85.6	Confident	4 Å²	4	51.6 Å²	51.6	2%	0.019	25%	0.25	C	S	.	.	H	α-helix	trans	-62.2	-51	-179.7	-177.1	94.3	0	0	0	112.3	S116 K120 E121 L122 P200 Y220 D221 R373	S116-H118 PolarHBondContact O-N 2.91Å; S116-H118 PolarHBondContact OG-N 3.41Å; H118-K120 VanDerWaalsContact C-N 3.3Å; H118-K120 PolarHBondContact O-N 3.14Å; H118-E121 PolarHBondContact O-N 3.06Å; H118-L122 PolarHBondContact O-N 3.14Å; H118-P200 HydrophobicContact CB-CG 4.15Å; H118-Y220 AromaticContact CD2-CD1 3.71Å; H118-Y220 AromaticContact CD2-CE1 3.4Å; H118-Y220 WeakPolarHBondContact CD2-CE1 3.19Å; H118-Y220 AromaticContact NE2-CD1 3.29Å; H118-Y220 VanDerWaalsContact NE2-CD1 3.29Å; H118-Y220 WeakPolarHBondContact NE2-CD1 3.36Å; H118-Y220 AromaticContact NE2-CE1 3.5Å; H118-D221 IonicContact CD2-OD1 3.8Å; H118-D221 IonicContact CE1-OD1 2.72Å; H118-D221 PolarHBondContact CE1-OD1 3.39Å; H118-D221 IonicContact NE2-OD1 3.03Å; H118-D221 PolarHBondContact NE2-OD1 2.88Å; H118-R373 VanDerWaalsContact CE1-CZ 3.45Å; H118-R373 PolarHBondContact CE1-NH1 2.6Å; H118-R373 PolarHBondContact CE1-NH2 2.72Å; H118-R373 VanDerWaalsContact ND1-CZ 3.26Å; H118-R373 PolarHBondContact ND1-NH1 2.9Å; H118-R373 PolarHBondContact ND1-NH2 3.07Å
119	D	88.2	Confident	85.3	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-68	-34.5	-178.4	-68.8	5.5	0	0	0	110.6	E114 S116 E121 L122 Y123 Q198 Y220 F224	E114-D119 HydrophobicContact CG-CB 3.69Å; S116-D119 PolarHBondContact OG-N 2.93Å; D119-E121 PolarHBondContact O-N 2.89Å; D119-L122 PolarHBondContact O-N 2.95Å; D119-Y123 HydrophobicContact CB-CE2 4.33Å; D119-Y123 WeakPolarHBondContact O-CD2 3.36Å; D119-Y123 PolarHBondContact O-N 3.31Å; D119-Q198 PolarHBondContact OD2-NE2 2.86Å; D119-Y220 VanDerWaalsContact CG-OH 3.32Å; D119-Y220 VanDerWaalsContact OD1-CE1 3.31Å; D119-Y220 WeakPolarHBondContact OD1-CE1 3.28Å; D119-Y220 PolarHBondContact OD1-OH 3.44Å; D119-Y220 PolarHBondContact OD2-OH 3.24Å; D119-F224 HydrophobicContact CB-CE2 3.83Å; D119-F224 HydrophobicContact CB-CZ 3.99Å; D119-F224 VanDerWaalsContact CG-CE2 3.46Å
120	K	85.8	Confident	85.1	Confident	77 Å²	77	45.8 Å²	45.8	34%	0.335	23%	0.228	S	C	.	.	H	α-helix	trans	-58.1	-44.9	171.9	-80.6	174.7	174.1	155.9	0	112.4	M111 E114 S116 S117 H118 L122 Y123 Q124	M111-K120 VanDerWaalsContact O-CE 3.3Å; M111-K120 WeakPolarHBondContact O-CE 3.26Å; E114-K120 HydrophobicContact CB-CG 3.87Å; E114-K120 HydrophobicContact CG-CG 3.88Å; E114-K120 WeakPolarHBondContact O-CE 3.5Å; E114-K120 PolarHBondContact O-NZ 3.26Å; S116-K120 WeakPolarHBondContact O-CG 3.35Å; S116-K120 PolarHBondContact O-N 3.22Å; S117-K120 WeakPolarHBondContact O-CB 3.49Å; S117-K120 PolarHBondContact O-N 2.78Å; H118-K120 VanDerWaalsContact C-N 3.3Å; H118-K120 PolarHBondContact O-N 3.14Å; K120-L122 VanDerWaalsContact C-N 3.34Å; K120-Y123 PolarHBondContact O-N 3.41Å; K120-Q124 WeakPolarHBondContact O-CB 3.1Å; K120-Q124 PolarHBondContact O-N 3.17Å
121	E	80.9	Confident	84.9	Confident	83 Å²	83	48.1 Å²	48.1	39%	0.388	23%	0.233	S	C	.	.	H	α-helix	trans	-62.3	-40.9	177.3	-74	175.1	-163.9	0	0	111.6	S117 H118 D119 Q124 F125	S117-E121 WeakPolarHBondContact O-CG 3.46Å; S117-E121 PolarHBondContact O-N 3.29Å; S117-E121 VanDerWaalsContact O-N 3.07Å; H118-E121 PolarHBondContact O-N 3.06Å; D119-E121 PolarHBondContact O-N 2.89Å; E121-Q124 PolarHBondContact O-N 2.57Å; E121-F125 WeakPolarHBondContact O-CB 3.39Å; E121-F125 PolarHBondContact O-N 3.46Å
122	L	86.1	Confident	84.5	Confident	6 Å²	6	50.8 Å²	50.8	3%	0.031	24%	0.24	C	C	.	.	H	α-helix	trans	-66.2	-44.8	176.5	-67.2	179.2	0	0	0	112.5	H118 D119 K120 Q124 F125 L126 Y220 D221 F224 L377	H118-L122 PolarHBondContact O-N 3.14Å; D119-L122 PolarHBondContact O-N 2.95Å; K120-L122 VanDerWaalsContact C-N 3.34Å; L122-Q124 VanDerWaalsContact C-N 3.31Å; L122-Q124 PolarHBondContact O-N 2.84Å; L122-F125 WeakPolarHBondContact O-CB 3.45Å; L122-F125 PolarHBondContact O-N 2.95Å; L122-L126 WeakPolarHBondContact O-CG 3.2Å; L122-L126 PolarHBondContact O-N 2.87Å; L122-Y220 HydrophobicContact CD1-CD1 4.46Å; L122-Y220 HydrophobicContact CD1-CE1 4.23Å; L122-D221 HydrophobicContact CD2-CB 4.2Å; L122-F224 HydrophobicContact CB-CD1 3.78Å; L122-F224 HydrophobicContact CB-CE1 3.64Å; L122-F224 HydrophobicContact CB-CZ 4.37Å; L122-F224 HydrophobicContact CD1-CB 3.71Å; L122-F224 HydrophobicContact CD1-CD1 3.45Å; L122-F224 VanDerWaalsContact CD1-CD1 3.45Å; L122-F224 HydrophobicContact CD1-CD2 4.1Å; L122-F224 HydrophobicContact CD1-CE1 4.02Å; L122-F224 HydrophobicContact CD1-CG 3.48Å; L122-F224 VanDerWaalsContact CD1-CG 3.48Å; L122-F224 HydrophobicContact CG-CD1 4.26Å; L122-L377 HydrophobicContact CD2-CD1 3.56Å
123	Y	89	Confident	84.3	Confident	5 Å²	5	44.7 Å²	44.7	2%	0.02	21%	0.213	C	C	.	.	H	α-helix	trans	-61.7	-42	173.6	-73.3	-56.2	0	0	0	111.8	F107 A110 M111 E114 D119 K120 F125 L126 F127 F224 Y228 V229 L232	F107-Y123 AromaticContact CD1-CD1 3.74Å; F107-Y123 HydrophobicContact CD1-CD1 3.74Å; F107-Y123 HydrophobicContact CD1-CE1 4.14Å; F107-Y123 HydrophobicContact CE1-CD1 4.29Å; F107-Y123 HydrophobicContact CE1-CE1 4.49Å; F107-Y123 HydrophobicContact CG-CD1 4.34Å; A110-Y123 HydrophobicContact CB-CD1 4.24Å; A110-Y123 HydrophobicContact CB-CD2 4.35Å; A110-Y123 HydrophobicContact CB-CE1 3.84Å; A110-Y123 HydrophobicContact CB-CE2 3.96Å; A110-Y123 HydrophobicContact CB-CG 4.47Å; M111-Y123 HydrophobicContact CG-CD2 4.25Å; M111-Y123 HydrophobicContact CG-CG 4.09Å; E114-Y123 HydrophobicContact CB-CE2 4.4Å; E114-Y123 HydrophobicContact CG-CE2 4.3Å; D119-Y123 HydrophobicContact CB-CE2 4.33Å; D119-Y123 WeakPolarHBondContact O-CD2 3.36Å; D119-Y123 PolarHBondContact O-N 3.31Å; K120-Y123 PolarHBondContact O-N 3.41Å; Y123-F125 VanDerWaalsContact C-N 3.3Å; Y123-F125 PolarHBondContact O-N 3.49Å; Y123-L126 PolarHBondContact O-N 2.82Å; Y123-F127 VanDerWaalsContact O-CB 3.26Å; Y123-F127 WeakPolarHBondContact O-CB 3.33Å; Y123-F127 PolarHBondContact O-N 3.31Å; Y123-F224 HydrophobicContact CD1-CE1 4.21Å; Y123-F224 HydrophobicContact CD1-CZ 4.22Å; Y123-F224 HydrophobicContact CD2-CZ 4.19Å; Y123-F224 HydrophobicContact CE1-CE1 4.07Å; Y123-F224 AromaticContact CE1-CZ 3.79Å; Y123-F224 HydrophobicContact CE1-CZ 3.79Å; Y123-F224 AromaticContact CE2-CZ 3.77Å; Y123-F224 HydrophobicContact CE2-CZ 3.77Å; Y123-F224 HydrophobicContact CG-CZ 4.39Å; Y123-F224 AromaticContact CZ-CZ 3.55Å; Y123-Y228 WeakPolarHBondContact OH-CE1 3.19Å; Y123-V229 HydrophobicContact CE1-CG2 4.43Å; Y123-L232 HydrophobicContact CE1-CD1 3.72Å; Y123-L232 WeakPolarHBondContact OH-CD1 3.37Å
124	Q	84.3	Confident	84.1	Confident	57 Å²	57	35.4 Å²	35.4	27%	0.266	18%	0.178	S	C	.	.	H	α-helix	trans	-61	-44.1	176.6	-173.3	169.9	-8.8	0	0	110.3	M111 K120 E121 L122 L126 F127 F128 L384	M111-Q124 HydrophobicContact CE-CB 3.78Å; M111-Q124 HydrophobicContact CE-CG 4.17Å; M111-Q124 HydrophobicContact SD-CB 4.23Å; K120-Q124 WeakPolarHBondContact O-CB 3.1Å; K120-Q124 PolarHBondContact O-N 3.17Å; E121-Q124 PolarHBondContact O-N 2.57Å; L122-Q124 VanDerWaalsContact C-N 3.31Å; L122-Q124 PolarHBondContact O-N 2.84Å; Q124-L126 PolarHBondContact O-N 3.05Å; Q124-F127 PolarHBondContact O-N 3.06Å; Q124-F128 HydrophobicContact CG-CD2 3.6Å; Q124-F128 HydrophobicContact CG-CE2 3.51Å; Q124-F128 WeakPolarHBondContact O-CD2 3.47Å; Q124-F128 PolarHBondContact O-N 3.24Å; Q124-L384 HydrophobicContact CG-CD1 4.18Å
125	F	82.7	Confident	83.8	Confident	5 Å²	5	35 Å²	35	2%	0.022	18%	0.178	C	C	.	.	H	α-helix	trans	-56.3	-51.6	176.3	166	-97.7	0	0	0	111.7	E121 L122 Y123 F127 F128 S129 L142 I225 L377 I381	E121-F125 WeakPolarHBondContact O-CB 3.39Å; E121-F125 PolarHBondContact O-N 3.46Å; L122-F125 WeakPolarHBondContact O-CB 3.45Å; L122-F125 PolarHBondContact O-N 2.95Å; Y123-F125 VanDerWaalsContact C-N 3.3Å; Y123-F125 PolarHBondContact O-N 3.49Å; F125-F127 PolarHBondContact O-N 3.09Å; F125-F128 PolarHBondContact O-N 2.91Å; F125-S129 VanDerWaalsContact O-CB 3.29Å; F125-S129 WeakPolarHBondContact O-CB 3.43Å; F125-S129 PolarHBondContact O-N 2.84Å; F125-L142 HydrophobicContact CE1-CD1 4.15Å; F125-I225 HydrophobicContact CE1-CD1 4.46Å; F125-L377 HydrophobicContact CD1-CD2 4.3Å; F125-L377 HydrophobicContact CD2-CB 4Å; F125-L377 HydrophobicContact CD2-CD2 4.44Å; F125-L377 WeakPolarHBondContact CD2-O 3.45Å; F125-L377 HydrophobicContact CE1-CD2 3.85Å; F125-L377 HydrophobicContact CE2-CB 4.23Å; F125-L377 HydrophobicContact CE2-CD2 4.02Å; F125-L377 VanDerWaalsContact CE2-O 3.23Å; F125-L377 WeakPolarHBondContact CE2-O 3.45Å; F125-L377 HydrophobicContact CG-CB 4.29Å; F125-L377 HydrophobicContact CZ-CD2 3.71Å; F125-I381 HydrophobicContact CB-CD1 3.97Å; F125-I381 HydrophobicContact CD2-CD1 3.4Å; F125-I381 HydrophobicContact CD2-CG1 3.99Å; F125-I381 HydrophobicContact CE2-CD1 4.22Å; F125-I381 HydrophobicContact CE2-CG1 4.39Å; F125-I381 HydrophobicContact CG-CD1 4.03Å; F125-I381 WeakPolarHBondContact O-CD1 3.47Å
126	L	86.7	Confident	83.3	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-63.8	-42.1	178.8	-66.6	170.4	0	0	0	112	F107 L122 Y123 Q124 F128 S129 L130 L142 I225 V229 F236	F107-L126 HydrophobicContact CD2-CB 3.97Å; F107-L126 HydrophobicContact CE2-CB 3.58Å; F107-L126 HydrophobicContact CE2-CD1 4.3Å; F107-L126 HydrophobicContact CZ-CB 4.16Å; F107-L126 HydrophobicContact CZ-CD1 4.02Å; L122-L126 WeakPolarHBondContact O-CG 3.2Å; L122-L126 PolarHBondContact O-N 2.87Å; Y123-L126 PolarHBondContact O-N 2.82Å; Q124-L126 PolarHBondContact O-N 3.05Å; L126-F128 PolarHBondContact O-N 3.18Å; L126-S129 PolarHBondContact O-N 2.87Å; L126-L130 WeakPolarHBondContact O-CB 3.42Å; L126-L130 VanDerWaalsContact O-CG 3.3Å; L126-L130 WeakPolarHBondContact O-CG 3.4Å; L126-L130 PolarHBondContact O-N 2.86Å; L126-L142 HydrophobicContact CD2-CD1 3.88Å; L126-I225 HydrophobicContact CD1-CG1 4.49Å; L126-I225 HydrophobicContact CD2-CG2 4.39Å; L126-V229 HydrophobicContact CD1-CB 4.28Å; L126-V229 HydrophobicContact CD1-CG1 3.91Å; L126-V229 HydrophobicContact CD1-CG2 3.63Å; L126-F236 HydrophobicContact CD2-CE1 4.46Å; L126-F236 HydrophobicContact CD2-CZ 4.14Å
127	F	88	Confident	83	Confident	27 Å²	27	32.6 Å²	32.6	12%	0.118	16%	0.158	C	C	.	.	H	α-helix	trans	-57.7	-49.6	178	177.7	-89.6	0	0	0	112	M104 F107 R108 Y123 Q124 F125 R131	M104-F127 HydrophobicContact CB-CD2 4.01Å; M104-F127 HydrophobicContact CB-CE2 3.94Å; M104-F127 HydrophobicContact CE-CD2 4.34Å; M104-F127 HydrophobicContact CE-CE1 4.32Å; M104-F127 HydrophobicContact CE-CE2 3.82Å; M104-F127 HydrophobicContact CE-CZ 3.81Å; M104-F127 HydrophobicContact CG-CD2 4.4Å; M104-F127 WeakPolarHBondContact O-CD2 3.28Å; M104-F127 WeakPolarHBondContact O-CE2 3.37Å; F107-F127 HydrophobicContact CB-CB 4.4Å; F107-F127 HydrophobicContact CB-CD2 4.46Å; R108-F127 HydrophobicContact CB-CE2 4.37Å; Y123-F127 VanDerWaalsContact O-CB 3.26Å; Y123-F127 WeakPolarHBondContact O-CB 3.33Å; Y123-F127 PolarHBondContact O-N 3.31Å; Q124-F127 PolarHBondContact O-N 3.06Å; F125-F127 PolarHBondContact O-N 3.09Å; F127-R131 VanDerWaalsContact O-CB 3.3Å; F127-R131 WeakPolarHBondContact O-CB 3.32Å; F127-R131 PolarHBondContact O-N 3.21Å
128	F	82.1	Confident	83.1	Confident	37 Å²	37	34.7 Å²	34.7	16%	0.162	16%	0.155	C	C	.	.	H	α-helix	trans	-71.6	-35.9	-179.7	-79.9	-73.1	0	0	0	112.6	Q124 F125 L126 R131 R132 I381 L384	Q124-F128 HydrophobicContact CG-CD2 3.6Å; Q124-F128 HydrophobicContact CG-CE2 3.51Å; Q124-F128 WeakPolarHBondContact O-CD2 3.47Å; Q124-F128 PolarHBondContact O-N 3.24Å; F125-F128 PolarHBondContact O-N 2.91Å; L126-F128 PolarHBondContact O-N 3.18Å; F128-R131 PolarHBondContact O-N 3.33Å; F128-R132 WeakPolarHBondContact O-CB 3.3Å; F128-R132 PolarHBondContact O-N 2.98Å; F128-I381 HydrophobicContact CB-CD1 3.92Å; F128-I381 HydrophobicContact CB-CG1 4.46Å; F128-I381 HydrophobicContact CB-CG2 3.73Å; F128-I381 HydrophobicContact CG-CG2 4.17Å; F128-L384 HydrophobicContact CD2-CD1 3.59Å; F128-L384 HydrophobicContact CD2-CD2 4.18Å; F128-L384 HydrophobicContact CD2-CG 4.04Å; F128-L384 HydrophobicContact CE1-CD2 4.14Å; F128-L384 HydrophobicContact CE2-CD1 3.75Å; F128-L384 HydrophobicContact CE2-CD2 3.58Å; F128-L384 HydrophobicContact CE2-CG 3.97Å; F128-L384 HydrophobicContact CG-CD1 4.24Å; F128-L384 HydrophobicContact CG-CG 4.39Å; F128-L384 HydrophobicContact CZ-CD1 4.48Å; F128-L384 HydrophobicContact CZ-CD2 3.55Å; F128-L384 HydrophobicContact CZ-CG 4.22Å
129	S	82.1	Confident	83	Confident	25 Å²	25	38.4 Å²	38.4	18%	0.175	17%	0.174	C	C	.	.	H	α-helix	trans	-59.9	-46.3	174.4	-170	0	0	0	0	111.6	F125 L126 S133 H140	F125-S129 VanDerWaalsContact O-CB 3.29Å; F125-S129 WeakPolarHBondContact O-CB 3.43Å; F125-S129 PolarHBondContact O-N 2.84Å; L126-S129 PolarHBondContact O-N 2.87Å; S129-S133 PolarHBondContact O-N 3.16Å; S129-S133 PolarHBondContact O-OG 2.89Å; S129-H140 PolarHBondContact O-CD2 2.85Å; S129-H140 PolarHBondContact OG-NE2 3.45Å
130	L	86.8	Confident	82.6	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-63.7	-46.5	173.6	-70	178.6	0	0	0	111.9	A103 M104 F107 L126 R132 S133 L134 H140 Y235 F236	A103-L130 HydrophobicContact CB-CD1 3.87Å; M104-L130 HydrophobicContact CG-CB 3.55Å; M104-L130 HydrophobicContact CG-CD1 3.9Å; M104-L130 HydrophobicContact CG-CG 4.41Å; M104-L130 HydrophobicContact SD-CB 3.99Å; F107-L130 HydrophobicContact CD2-CD1 3.94Å; F107-L130 HydrophobicContact CE2-CD1 3.53Å; L126-L130 WeakPolarHBondContact O-CB 3.42Å; L126-L130 VanDerWaalsContact O-CG 3.3Å; L126-L130 WeakPolarHBondContact O-CG 3.4Å; L126-L130 PolarHBondContact O-N 2.86Å; L130-R132 VanDerWaalsContact C-N 3.3Å; L130-R132 PolarHBondContact O-N 3.07Å; L130-S133 PolarHBondContact O-N 3.31Å; L130-L134 WeakPolarHBondContact O-CB 2.89Å; L130-L134 PolarHBondContact O-N 3.42Å; L130-H140 HydrophobicContact CD2-CB 3.95Å; L130-Y235 HydrophobicContact CD2-CD1 3.73Å; L130-Y235 HydrophobicContact CD2-CE1 3.37Å; L130-F236 HydrophobicContact CD1-CE2 4.18Å; L130-F236 HydrophobicContact CD1-CZ 4.14Å; L130-F236 HydrophobicContact CD2-CZ 3.86Å; L130-F236 HydrophobicContact CG-CZ 4.16Å
131	R	86	Confident	82.1	Confident	69 Å²	69	45.8 Å²	45.8	26%	0.26	20%	0.2	S	C	.	.	H	α-helix	trans	-55.1	-45.5	179.2	-176.1	176.6	177.3	144.3	3.7	112	M104 F127 F128 L134 S135	M104-R131 HydrophobicContact CE-CB 3.49Å; M104-R131 VanDerWaalsContact CE-CB 3.49Å; M104-R131 HydrophobicContact CE-CG 3.87Å; M104-R131 HydrophobicContact SD-CB 4.17Å; F127-R131 VanDerWaalsContact O-CB 3.3Å; F127-R131 WeakPolarHBondContact O-CB 3.32Å; F127-R131 PolarHBondContact O-N 3.21Å; F128-R131 PolarHBondContact O-N 3.33Å; R131-L134 PolarHBondContact O-N 3.04Å; R131-S135 VanDerWaalsContact O-CB 3.3Å; R131-S135 WeakPolarHBondContact O-CB 3.47Å; R131-S135 PolarHBondContact O-N 2.87Å; R131-S135 PolarHBondContact O-OG 3.4Å
132	R	80.4	Confident	81.8	Confident	101 Å²	101	43.2 Å²	43.2	38%	0.381	19%	0.189	S	C	.	.	H	α-helix	trans	-59.9	-50.4	179.1	-176.8	177.4	177.8	-179.1	1.4	110.8	F128 L130 L134 S135 E136	F128-R132 WeakPolarHBondContact O-CB 3.3Å; F128-R132 PolarHBondContact O-N 2.98Å; L130-R132 VanDerWaalsContact C-N 3.3Å; L130-R132 PolarHBondContact O-N 3.07Å; R132-L134 VanDerWaalsContact C-N 3.32Å; R132-L134 PolarHBondContact O-N 3.44Å; R132-S135 PolarHBondContact O-N 3.28Å; R132-S135 PolarHBondContact O-OG 3.37Å; R132-E136 WeakPolarHBondContact CG-OE1 3.1Å; R132-E136 IonicContact NE-OE1 2.65Å; R132-E136 PolarHBondContact NE-OE1 3.44Å; R132-E136 WeakPolarHBondContact O-CG 3.46Å; R132-E136 PolarHBondContact O-N 2.69Å; R132-E136 VanDerWaalsContact O-N 3.12Å
133	S	82.3	Confident	80.8	Confident	11 Å²	11	50.6 Å²	50.6	8%	0.077	22%	0.223	C	C	.	.	H	α-helix	trans	-59.3	-43.9	178.5	-60.3	0	0	0	0	111.8	S129 L130 E136 G137 R138 H140	S129-S133 PolarHBondContact O-N 3.16Å; S129-S133 PolarHBondContact O-OG 2.89Å; L130-S133 PolarHBondContact O-N 3.31Å; S133-E136 PolarHBondContact O-N 3.19Å; S133-G137 PolarHBondContact O-N 3.35Å; S133-G137 VanDerWaalsContact O-N 3.1Å; S133-R138 CarbonylContact C-O 3.44Å; S133-R138 PolarHBondContact O-N 2.91Å; S133-H140 PolarHBondContact OG-CD2 3.42Å; S133-H140 VanDerWaalsContact OG-CD2 3.25Å
134	L	85.1	Confident	79.6	Confident	0 Å²	0	51 Å²	51	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-65.3	-42.3	178.2	-169.9	59.5	0	0	0	112.2	L34 Y37 L97 A101 M104 L130 R131 R132 E136 G137	L34-L134 HydrophobicContact CD2-CD1 3.9Å; Y37-L134 HydrophobicContact CD1-CD2 4.43Å; Y37-L134 HydrophobicContact CD2-CD2 3.61Å; Y37-L134 HydrophobicContact CG-CD2 3.55Å; L97-L134 HydrophobicContact CB-CD1 4Å; L97-L134 HydrophobicContact CD2-CD1 3.89Å; L97-L134 HydrophobicContact CG-CD1 4.46Å; A101-L134 HydrophobicContact CB-CD2 3.84Å; M104-L134 HydrophobicContact SD-CB 4.49Å; M104-L134 HydrophobicContact SD-CD2 3.71Å; L130-L134 WeakPolarHBondContact O-CB 2.89Å; L130-L134 PolarHBondContact O-N 3.42Å; R131-L134 PolarHBondContact O-N 3.04Å; R132-L134 VanDerWaalsContact C-N 3.32Å; R132-L134 PolarHBondContact O-N 3.44Å; L134-E136 VanDerWaalsContact C-N 3.25Å; L134-E136 PolarHBondContact O-N 2.92Å; L134-G137 PolarHBondContact O-N 2.85Å; L134-G137 VanDerWaalsContact O-N 3.09Å
135	S	80.7	Confident	78.6	Confident	15 Å²	15	49.7 Å²	49.7	11%	0.105	22%	0.222	C	C	.	.	H	α-helix	trans	-63.8	-32.6	179.4	75.5	0	0	0	0	112.9	Y37 Q85 R131 R132	Y37-S135 WeakPolarHBondContact O-CA 3.31Å; Q85-S135 PolarHBondContact NE2-O 2.91Å; Q85-S135 PolarHBondContact OE1-O 3.25Å; R131-S135 VanDerWaalsContact O-CB 3.3Å; R131-S135 WeakPolarHBondContact O-CB 3.47Å; R131-S135 PolarHBondContact O-N 2.87Å; R131-S135 PolarHBondContact O-OG 3.4Å; R132-S135 PolarHBondContact O-N 3.28Å; R132-S135 PolarHBondContact O-OG 3.37Å
136	E	74.9	Confident	78	Confident	81 Å²	81	49.7 Å²	49.7	38%	0.379	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-1.7	177.7	-63	177.9	-155.3	0	0	112.9	R132 S133 L134 R138	R132-E136 WeakPolarHBondContact CG-OE1 3.1Å; R132-E136 IonicContact NE-OE1 2.65Å; R132-E136 PolarHBondContact NE-OE1 3.44Å; R132-E136 WeakPolarHBondContact O-CG 3.46Å; R132-E136 PolarHBondContact O-N 2.69Å; R132-E136 VanDerWaalsContact O-N 3.12Å; S133-E136 PolarHBondContact O-N 3.19Å; L134-E136 VanDerWaalsContact C-N 3.25Å; L134-E136 PolarHBondContact O-N 2.92Å; E136-R138 VanDerWaalsContact C-N 3.27Å; E136-R138 HydrophobicContact CB-CG 4.24Å; E136-R138 PolarHBondContact O-N 2.98Å; E136-R138 IonicContact OE1-NH2 3.83Å; E136-R138 IonicContact OE2-CZ 3.76Å; E136-R138 IonicContact OE2-NE 2.89Å; E136-R138 PolarHBondContact OE2-NE 3.28Å; E136-R138 IonicContact OE2-NH2 3.09Å; E136-R138 PolarHBondContact OE2-NH2 3.48Å
137	G	74.6	Confident	77.4	Confident	5 Å²	5	51 Å²	51	5%	0.052	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.1	24.7	-178.7	0	0	0	0	0	114.4	K89 S133 L134	K89-G137 WeakPolarHBondContact CE-O 3.38Å; K89-G137 PolarHBondContact NZ-O 3.24Å; S133-G137 PolarHBondContact O-N 3.35Å; S133-G137 VanDerWaalsContact O-N 3.1Å; L134-G137 PolarHBondContact O-N 2.85Å; L134-G137 VanDerWaalsContact O-N 3.09Å
138	R	79.7	Confident	77.1	Confident	121 Å²	121	55.3 Å²	55.3	46%	0.457	26%	0.259	S	S	.	.	P	Polyproline II helix	trans	-102	142.9	179.6	-60.9	-168.1	-70.5	124.4	-4.8	110.4	S133 E136 H140	S133-R138 CarbonylContact C-O 3.44Å; S133-R138 PolarHBondContact O-N 2.91Å; E136-R138 VanDerWaalsContact C-N 3.27Å; E136-R138 HydrophobicContact CB-CG 4.24Å; E136-R138 PolarHBondContact O-N 2.98Å; E136-R138 IonicContact OE1-NH2 3.83Å; E136-R138 IonicContact OE2-CZ 3.76Å; E136-R138 IonicContact OE2-NE 2.89Å; E136-R138 PolarHBondContact OE2-NE 3.28Å; E136-R138 IonicContact OE2-NH2 3.09Å; E136-R138 PolarHBondContact OE2-NH2 3.48Å; R138-H140 PolarHBondContact O-N 3.33Å
139	I	77.5	Confident	77.4	Confident	82 Å²	82	54.8 Å²	54.8	42%	0.421	26%	0.26	S	S	.	.	P	Polyproline II helix	trans	-63.6	127.3	168.2	-61.3	174.7	0	0	0	107.5	E93 R141	E93-I139 HydrophobicContact CG-CD1 4.39Å; I139-R141 PolarHBondContact O-N 3.47Å
140	H	79.3	Confident	77.7	Confident	16 Å²	16	58 Å²	58	7%	0.074	28%	0.28	C	S	.	.	P	Polyproline II helix	trans	-63.8	133.9	-178	179	-88	0	0	0	110.4	S129 L130 S133 R138 L142 Y235	S129-H140 PolarHBondContact O-CD2 2.85Å; S129-H140 PolarHBondContact OG-NE2 3.45Å; L130-H140 HydrophobicContact CD2-CB 3.95Å; S133-H140 PolarHBondContact OG-CD2 3.42Å; S133-H140 VanDerWaalsContact OG-CD2 3.25Å; R138-H140 PolarHBondContact O-N 3.33Å; H140-L142 VanDerWaalsContact CE1-CA 3.41Å; H140-L142 WeakPolarHBondContact CE1-CA 3.33Å; H140-L142 PolarHBondContact CE1-N 3.49Å; H140-L142 PolarHBondContact ND1-N 2.98Å; H140-Y235 HydrophobicContact CB-CE1 3.94Å; H140-Y235 VanDerWaalsContact CB-OH 3.29Å; H140-Y235 WeakPolarHBondContact CB-OH 3.34Å; H140-Y235 PolarHBondContact N-OH 2.95Å
141	R	75.2	Confident	77.7	Confident	215 Å²	215	58.9 Å²	58.9	81%	0.811	28%	0.284	S	S	*	.			trans	-120.2	122.7	163.7	-69.1	-174.2	178.9	-178.2	-0.2	106.7	I139 E143	I139-R141 PolarHBondContact O-N 3.47Å; R141-E143 VanDerWaalsContact C-N 3.35Å; R141-E143 PolarHBondContact O-N 3.03Å
142	L	73.9	Confident	77.6	Confident	29 Å²	29	56.7 Å²	56.7	15%	0.152	28%	0.277	C	S	.	.			trans	-70	94.7	179	-173.3	70.2	0	0	0	109.6	F125 L126 H140 N144 I225 Y226 F236	F125-L142 HydrophobicContact CE1-CD1 4.15Å; L126-L142 HydrophobicContact CD2-CD1 3.88Å; H140-L142 VanDerWaalsContact CE1-CA 3.41Å; H140-L142 WeakPolarHBondContact CE1-CA 3.33Å; H140-L142 PolarHBondContact CE1-N 3.49Å; H140-L142 PolarHBondContact ND1-N 2.98Å; L142-N144 HydrophobicContact CD2-CB 4.21Å; L142-N144 HydrophobicContact CG-CB 4.11Å; L142-N144 PolarHBondContact O-N 3.05Å; L142-I225 HydrophobicContact CD2-CG2 3.51Å; L142-Y226 HydrophobicContact CD2-CE1 4.06Å; L142-F236 HydrophobicContact CD1-CE1 4.47Å
143	E	64.8	Low	77.6	Confident	161 Å²	161	62.8 Å²	62.8	75%	0.752	30%	0.3	S	S	*	.			trans	-73.7	84.6	164	-68.7	179	-175.4	0	0	107.4	R141 P145	R141-E143 VanDerWaalsContact C-N 3.35Å; R141-E143 PolarHBondContact O-N 3.03Å; E143-P145 VanDerWaalsContact O-CD 3.3Å; E143-P145 WeakPolarHBondContact O-CD 3.49Å
144	N	65.3	Low	77.9	Confident	13 Å²	13	65.6 Å²	65.6	7%	0.07	31%	0.311	C	S	.	.			trans	-89.7	111.8	176.4	-167.5	-13.8	0	0	0	109.3	L142 L146 G147 Y226 L377	L142-N144 HydrophobicContact CD2-CB 4.21Å; L142-N144 HydrophobicContact CG-CB 4.11Å; L142-N144 PolarHBondContact O-N 3.05Å; N144-L146 PolarHBondContact O-N 2.65Å; N144-L146 VanDerWaalsContact OD1-CB 3.3Å; N144-L146 WeakPolarHBondContact OD1-CB 3.13Å; N144-L146 WeakPolarHBondContact OD1-CG 3.42Å; N144-L146 PolarHBondContact OD1-N 3.14Å; N144-G147 PolarHBondContact O-N 3.08Å; N144-Y226 VanDerWaalsContact CB-OH 3.3Å; N144-Y226 WeakPolarHBondContact CB-OH 3.43Å; N144-Y226 WeakPolarHBondContact ND2-CE2 3.36Å; N144-Y226 PolarHBondContact ND2-OH 3.34Å; N144-L377 VanDerWaalsContact OD1-CD2 3.31Å; N144-L377 WeakPolarHBondContact OD1-CD2 3.12Å
145	P	63.4	Low	78.2	Confident	31 Å²	31	66.9 Å²	66.9	20%	0.201	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-2.7	173.6	30.3	-37.1	0	0	0	112.4	E143 G147 P308 V376 L377	E143-P145 VanDerWaalsContact O-CD 3.3Å; E143-P145 WeakPolarHBondContact O-CD 3.49Å; P145-G147 VanDerWaalsContact C-N 3.34Å; P145-P308 WeakPolarHBondContact O-CG 3.28Å; P145-V376 HydrophobicContact CB-CG1 3.74Å; P145-V376 HydrophobicContact CG-CG1 3.9Å; P145-V376 VanDerWaalsContact CG-O 3.3Å; P145-V376 WeakPolarHBondContact CG-O 3.5Å; P145-L377 HydrophobicContact CG-CD2 3.76Å; P145-L377 HydrophobicContact CG-CG 4.47Å
146	L	69.5	Low	78.6	Confident	4 Å²	4	66.1 Å²	66.1	2%	0.021	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	4.7	170.5	-57.5	-179.7	0	0	0	113.8	N144 I218 D221 R222 L311 V376 L377	N144-L146 PolarHBondContact O-N 2.65Å; N144-L146 VanDerWaalsContact OD1-CB 3.3Å; N144-L146 WeakPolarHBondContact OD1-CB 3.13Å; N144-L146 WeakPolarHBondContact OD1-CG 3.42Å; N144-L146 PolarHBondContact OD1-N 3.14Å; L146-I218 HydrophobicContact CD2-CG1 4.37Å; L146-I218 HydrophobicContact CD2-CG2 4.37Å; L146-D221 HydrophobicContact CD1-CB 3.35Å; L146-R222 HydrophobicContact CB-CG 4.14Å; L146-R222 VanDerWaalsContact O-CZ 3.26Å; L146-R222 PolarHBondContact O-NE 2.96Å; L146-R222 PolarHBondContact O-NH2 3.19Å; L146-L311 HydrophobicContact CD2-CD1 4.07Å; L146-V376 HydrophobicContact CD2-CG1 4.35Å; L146-L377 HydrophobicContact CD1-CD1 3.73Å; L146-L377 HydrophobicContact CD1-CD2 4.24Å; L146-L377 HydrophobicContact CD1-CG 4.16Å; L146-L377 HydrophobicContact CG-CD1 4.34Å; L146-L377 HydrophobicContact CG-CD2 4.1Å; L146-L377 HydrophobicContact CG-CG 4.23Å
147	G	73.1	Confident	79.4	Confident	27 Å²	27	63.4 Å²	63.4	28%	0.278	30%	0.301	S	S	.	.			trans	90.1	171.1	-177.6	0	0	0	0	0	113.4	N144 P145 Y226	N144-G147 PolarHBondContact O-N 3.08Å; P145-G147 VanDerWaalsContact C-N 3.34Å; G147-Y226 PolarHBondContact O-OH 3.02Å
148	L	82.9	Confident	80.1	Confident	118 Å²	118	65.4 Å²	65.4	62%	0.618	31%	0.31	S	S	*	.			trans	-107.4	148.1	178.9	-64.5	175.8	0	0	0	110.2	F151 Y226	L148-F151 VanDerWaalsContact C-CE1 3.49Å; L148-Y226 WeakPolarHBondContact CD2-OH 3.46Å
149	P	87.1	Confident	80.6	Confident	27 Å²	27	59.6 Å²	59.6	18%	0.175	29%	0.289	C	S	.	.	S	Bend	trans	-65.8	148.9	175.4	26	-33.5	0	0	0	111.9	F151 Y226 I244	P149-F151 HydrophobicContact CB-CE1 4.37Å; P149-F151 HydrophobicContact CB-CE2 4.11Å; P149-F151 HydrophobicContact CB-CZ 3.93Å; P149-F151 HydrophobicContact CG-CZ 4.36Å; P149-Y226 HydrophobicContact CG-CD1 3.86Å; P149-Y226 HydrophobicContact CG-CE1 4.03Å; P149-Y226 HydrophobicContact CG-CG 4.3Å; P149-I244 HydrophobicContact CB-CB 3.9Å; P149-I244 HydrophobicContact CB-CD1 4.5Å; P149-I244 HydrophobicContact CB-CG2 3.64Å
150	P	88.6	Confident	81.1	Confident	93 Å²	93	55.7 Å²	55.7	60%	0.604	27%	0.269	S	S	*	.			cis	-74.4	146.4	-2.4	32	-34.9	0	0	0	112.5
151	F	87.1	Confident	81.4	Confident	17 Å²	17	61.9 Å²	61.9	8%	0.075	29%	0.291	C	S	.	.			trans	-90.7	-23.3	-174.3	-56	-61.7	0	0	0	114.1	L148 P149 R222 Y226 I244 F245	L148-F151 VanDerWaalsContact C-CE1 3.49Å; P149-F151 HydrophobicContact CB-CE1 4.37Å; P149-F151 HydrophobicContact CB-CE2 4.11Å; P149-F151 HydrophobicContact CB-CZ 3.93Å; P149-F151 HydrophobicContact CG-CZ 4.36Å; F151-R222 HydrophobicContact CD1-CG 4.16Å; F151-R222 HydrophobicContact CD2-CB 4.19Å; F151-R222 HydrophobicContact CD2-CG 4.36Å; F151-R222 HydrophobicContact CE1-CB 4.36Å; F151-R222 HydrophobicContact CE1-CG 3.82Å; F151-R222 HydrophobicContact CE2-CB 3.69Å; F151-R222 HydrophobicContact CE2-CG 4.04Å; F151-R222 HydrophobicContact CG-CG 4.43Å; F151-R222 HydrophobicContact CZ-CB 3.8Å; F151-R222 HydrophobicContact CZ-CG 3.77Å; F151-Y226 HydrophobicContact CE1-CD2 4.41Å; F151-Y226 HydrophobicContact CE1-CE2 4.15Å; F151-Y226 HydrophobicContact CE2-CD2 4.21Å; F151-Y226 AromaticContact CZ-CD2 3.45Å; F151-Y226 HydrophobicContact CZ-CD2 3.45Å; F151-Y226 VanDerWaalsContact CZ-CD2 3.45Å; F151-Y226 AromaticContact CZ-CE2 3.62Å; F151-Y226 HydrophobicContact CZ-CE2 3.62Å; F151-Y226 HydrophobicContact CZ-CG 4.18Å; F151-I244 WeakPolarHBondContact CB-O 3.38Å; F151-I244 HydrophobicContact CD2-CB 4.19Å; F151-I244 HydrophobicContact CD2-CD1 4.37Å; F151-I244 HydrophobicContact CD2-CG1 4.14Å; F151-I244 WeakPolarHBondContact CD2-O 3.36Å; F151-I244 HydrophobicContact CE2-CB 4.23Å; F151-I244 HydrophobicContact CE2-CD1 3.73Å; F151-I244 HydrophobicContact CE2-CG1 4Å; F151-I244 PolarHBondContact N-O 3.26Å; F151-F245 HydrophobicContact CD2-CD1 4.07Å; F151-F245 AromaticContact CD2-CE1 3.72Å; F151-F245 HydrophobicContact CD2-CE1 3.72Å; F151-F245 HydrophobicContact CD2-CE2 4.47Å; F151-F245 AromaticContact CD2-CZ 3.93Å; F151-F245 HydrophobicContact CD2-CZ 3.93Å; F151-F245 HydrophobicContact CE2-CE1 4.2Å; F151-F245 HydrophobicContact CE2-CE2 4.43Å; F151-F245 AromaticContact CE2-CZ 3.95Å; F151-F245 HydrophobicContact CE2-CZ 3.95Å
152	E	84.3	Confident	82	Confident	24 Å²	24	55.8 Å²	55.8	11%	0.112	27%	0.273	C	S	.	.	S	Bend	trans	-125.9	149.8	177.8	-71.4	178.2	-105.9	0	0	109.4	G246 S247 Q248	E152-G246 VanDerWaalsContact CD-CA 3.49Å; E152-G246 VanDerWaalsContact CD-N 3.32Å; E152-G246 VanDerWaalsContact OE1-C 3.31Å; E152-G246 VanDerWaalsContact OE1-CA 3.31Å; E152-G246 WeakPolarHBondContact OE1-CA 3.41Å; E152-G246 PolarHBondContact OE1-N 2.79Å; E152-G246 VanDerWaalsContact OE2-C 3.32Å; E152-S247 PolarHBondContact OE2-N 3.12Å; E152-S247 PolarHBondContact OE2-OG 2.89Å; E152-Q248 WeakPolarHBondContact OE1-CB 3.45Å; E152-Q248 PolarHBondContact OE1-N 3.06Å; E152-Q248 PolarHBondContact OE2-N 2.91Å
153	R	80.9	Confident	82.6	Confident	228 Å²	228	54.4 Å²	54.4	86%	0.86	27%	0.266	S	S	*	.	S	Bend	trans	-63.5	-42.6	-178	-179	178.2	177.2	174.5	-0.1	112.6
154	H	87.2	Confident	83.5	Confident	70 Å²	70	47.9 Å²	47.9	32%	0.324	24%	0.235	S	C	.	.	S	Bend	trans	-106.1	120	174.3	-58.5	103.8	0	0	0	107.9	D158 I159 G246	H154-D158 HydrophobicContact CB-CB 4.3Å; H154-I159 HydrophobicContact CB-CG1 4.29Å; H154-G246 VanDerWaalsContact O-CA 3.31Å; H154-G246 WeakPolarHBondContact O-CA 3.45Å
155	N	91.2	Very high	84.3	Confident	27 Å²	27	51.3 Å²	51.3	14%	0.144	26%	0.256	C	S	.	.			trans	-82.9	173.4	176.1	63.4	53.6	0	0	0	110.7	I157 D158 I159 S242 L243 F245	N155-I157 VanDerWaalsContact C-N 3.26Å; N155-I157 PolarHBondContact O-N 2.89Å; N155-I157 WeakPolarHBondContact OD1-CA 3.41Å; N155-I157 VanDerWaalsContact OD1-CB 3.24Å; N155-I157 WeakPolarHBondContact OD1-CB 3.48Å; N155-I157 PolarHBondContact OD1-N 3.23Å; N155-D158 PolarHBondContact N-OD2 2.88Å; N155-D158 PolarHBondContact ND2-OD2 3.47Å; N155-D158 WeakPolarHBondContact O-CB 3.43Å; N155-D158 PolarHBondContact O-N 3.21Å; N155-D158 VanDerWaalsContact O-N 3.09Å; N155-D158 PolarHBondContact OD1-N 3.07Å; N155-D158 PolarHBondContact OD1-OD2 3.18Å; N155-I159 WeakPolarHBondContact O-CG1 3.37Å; N155-I159 PolarHBondContact O-N 3.45Å; N155-S242 WeakPolarHBondContact CB-O 3.45Å; N155-L243 WeakPolarHBondContact CB-O 3.35Å; N155-F245 CarbonylContact C-O 3.57Å; N155-F245 WeakPolarHBondContact CA-O 3.45Å
156	V	90.6	Very high	85	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-59.3	-35.7	-179.6	178.3	0	0	0	0	112.8	D158 I159 L160 F187 I188 L191 S242 F245 L250	V156-D158 VanDerWaalsContact C-N 3.32Å; V156-D158 PolarHBondContact O-N 2.73Å; V156-I159 PolarHBondContact O-N 3.27Å; V156-L160 HydrophobicContact CG1-CD1 3.73Å; V156-L160 HydrophobicContact CG1-CG 4.18Å; V156-L160 WeakPolarHBondContact O-CB 3.43Å; V156-L160 VanDerWaalsContact O-CG 3.32Å; V156-L160 WeakPolarHBondContact O-CG 3.26Å; V156-L160 PolarHBondContact O-N 3.08Å; V156-F187 HydrophobicContact CG1-CE1 3.94Å; V156-I188 HydrophobicContact CG1-CD1 4.35Å; V156-L191 HydrophobicContact CB-CD2 4.02Å; V156-L191 HydrophobicContact CG1-CD2 3.69Å; V156-L191 HydrophobicContact CG2-CD2 3.76Å; V156-S242 PolarHBondContact N-O 3.46Å; V156-S242 VanDerWaalsContact N-O 3.16Å; V156-F245 WeakPolarHBondContact CG2-O 3.34Å; V156-F245 PolarHBondContact N-O 2.8Å; V156-L250 HydrophobicContact CB-CD1 4.41Å; V156-L250 HydrophobicContact CG1-CD1 4.09Å; V156-L250 HydrophobicContact CG1-CD2 4.18Å; V156-L250 HydrophobicContact CG2-CD1 3.87Å; V156-L250 HydrophobicContact CG2-CD2 4.02Å; V156-L250 HydrophobicContact CG2-CG 3.91Å
157	I	91.1	Very high	85.2	Confident	24 Å²	24	55 Å²	55	12%	0.123	27%	0.273	C	S	.	.	H	α-helix	trans	-61.7	-43.8	176.3	-61.4	-176.8	0	0	0	110	N155 L160 R161 F184 I188 S242 L243	N155-I157 VanDerWaalsContact C-N 3.26Å; N155-I157 PolarHBondContact O-N 2.89Å; N155-I157 WeakPolarHBondContact OD1-CA 3.41Å; N155-I157 VanDerWaalsContact OD1-CB 3.24Å; N155-I157 WeakPolarHBondContact OD1-CB 3.48Å; N155-I157 PolarHBondContact OD1-N 3.23Å; I157-L160 PolarHBondContact O-N 3.01Å; I157-R161 WeakPolarHBondContact O-CB 3.46Å; I157-R161 VanDerWaalsContact O-CG 3.28Å; I157-R161 WeakPolarHBondContact O-CG 3.44Å; I157-R161 PolarHBondContact O-N 3.1Å; I157-F184 HydrophobicContact CB-CZ 4.46Å; I157-F184 HydrophobicContact CG2-CZ 3.79Å; I157-I188 HydrophobicContact CG1-CD1 3.71Å; I157-S242 PolarHBondContact N-O 2.84Å; I157-L243 HydrophobicContact CD1-CD2 3.53Å; I157-L243 HydrophobicContact CD1-CG 4.09Å
158	D	90	Very high	84.8	Confident	46 Å²	46	59 Å²	59	25%	0.246	28%	0.284	C	S	.	.	H	α-helix	trans	-64.1	-45	177.6	-58.9	-35.9	0	0	0	111	H154 N155 V156 L160 R161 M162	H154-D158 HydrophobicContact CB-CB 4.3Å; N155-D158 PolarHBondContact N-OD2 2.88Å; N155-D158 PolarHBondContact ND2-OD2 3.47Å; N155-D158 WeakPolarHBondContact O-CB 3.43Å; N155-D158 PolarHBondContact O-N 3.21Å; N155-D158 VanDerWaalsContact O-N 3.09Å; N155-D158 PolarHBondContact OD1-N 3.07Å; N155-D158 PolarHBondContact OD1-OD2 3.18Å; V156-D158 VanDerWaalsContact C-N 3.32Å; V156-D158 PolarHBondContact O-N 2.73Å; D158-L160 PolarHBondContact O-N 3.15Å; D158-R161 WeakPolarHBondContact O-CB 3.45Å; D158-R161 PolarHBondContact O-N 3.4Å; D158-R161 IonicContact OD1-NH1 3.09Å; D158-M162 VanDerWaalsContact O-CG 3.3Å; D158-M162 WeakPolarHBondContact O-CG 3.09Å; D158-M162 PolarHBondContact O-N 2.96Å
159	I	88.9	Confident	83.5	Confident	0 Å²	0	60.7 Å²	60.7	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-62	-43.3	178.2	-63	169.9	0	0	0	111.2	H154 N155 V156 M162 Y163 L250 F287 F290 L291 F294	H154-I159 HydrophobicContact CB-CG1 4.29Å; N155-I159 WeakPolarHBondContact O-CG1 3.37Å; N155-I159 PolarHBondContact O-N 3.45Å; V156-I159 PolarHBondContact O-N 3.27Å; I159-M162 PolarHBondContact O-N 3.38Å; I159-Y163 PolarHBondContact O-N 2.9Å; I159-L250 HydrophobicContact CD1-CD1 4.07Å; I159-L250 HydrophobicContact CG2-CD1 4.4Å; I159-F287 HydrophobicContact CG2-CE2 4.23Å; I159-F287 HydrophobicContact CG2-CZ 4.12Å; I159-F290 HydrophobicContact CG2-CE1 4.12Å; I159-L291 HydrophobicContact CG2-CD2 3.77Å; I159-F294 HydrophobicContact CD1-CE1 3.92Å; I159-F294 HydrophobicContact CD1-CZ 4.26Å; I159-F294 HydrophobicContact CG1-CE1 3.86Å; I159-F294 HydrophobicContact CG1-CE2 4.45Å; I159-F294 HydrophobicContact CG1-CZ 3.7Å; I159-F294 HydrophobicContact CG2-CE1 4.47Å
160	L	88	Confident	81.8	Confident	0 Å²	0	65.7 Å²	65.7	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-66.4	-39.8	177.1	-75.7	164.3	0	0	0	112	V156 I157 D158 M162 Y163 F164 F184 F187 I188 F283 F287	V156-L160 HydrophobicContact CG1-CD1 3.73Å; V156-L160 HydrophobicContact CG1-CG 4.18Å; V156-L160 WeakPolarHBondContact O-CB 3.43Å; V156-L160 VanDerWaalsContact O-CG 3.32Å; V156-L160 WeakPolarHBondContact O-CG 3.26Å; V156-L160 PolarHBondContact O-N 3.08Å; I157-L160 PolarHBondContact O-N 3.01Å; D158-L160 PolarHBondContact O-N 3.15Å; L160-M162 VanDerWaalsContact C-N 3.3Å; L160-M162 PolarHBondContact O-N 3.06Å; L160-Y163 WeakPolarHBondContact O-CB 3.26Å; L160-Y163 PolarHBondContact O-N 3.32Å; L160-F164 WeakPolarHBondContact O-CD2 3.27Å; L160-F164 PolarHBondContact O-N 3.38Å; L160-F184 HydrophobicContact CB-CD2 3.84Å; L160-F184 HydrophobicContact CB-CE2 3.45Å; L160-F184 VanDerWaalsContact CB-CE2 3.45Å; L160-F184 HydrophobicContact CB-CZ 4.38Å; L160-F184 HydrophobicContact CD1-CE2 4.32Å; L160-F187 HydrophobicContact CD1-CD1 3.48Å; L160-F187 VanDerWaalsContact CD1-CD1 3.48Å; L160-F187 HydrophobicContact CD1-CE1 3.82Å; L160-F187 HydrophobicContact CD1-CG 4.48Å; L160-F187 HydrophobicContact CD2-CD1 4.01Å; L160-F187 HydrophobicContact CD2-CE1 4.14Å; L160-F187 HydrophobicContact CG-CD1 4.31Å; L160-F187 HydrophobicContact CG-CE1 4.37Å; L160-I188 HydrophobicContact CD1-CD1 3.44Å; L160-I188 VanDerWaalsContact CD1-CD1 3.44Å; L160-I188 HydrophobicContact CD1-CG1 3.93Å; L160-F283 HydrophobicContact CD2-CZ 3.92Å; L160-F287 HydrophobicContact CD2-CD2 4.08Å; L160-F287 HydrophobicContact CD2-CE1 4.15Å; L160-F287 HydrophobicContact CD2-CE2 3.57Å; L160-F287 HydrophobicContact CD2-CZ 3.6Å; L160-F287 HydrophobicContact CG-CE2 4.28Å; L160-F287 HydrophobicContact CG-CZ 4.1Å
161	R	86.8	Confident	79.9	Confident	146 Å²	146	64.1 Å²	64.1	55%	0.551	31%	0.305	S	S	*	.	H	α-helix	trans	-59	-45.3	173.9	-76.2	169.8	174.6	172.1	-3.5	110.6	I157 D158 Y163 F164 V165 F184	I157-R161 WeakPolarHBondContact O-CB 3.46Å; I157-R161 VanDerWaalsContact O-CG 3.28Å; I157-R161 WeakPolarHBondContact O-CG 3.44Å; I157-R161 PolarHBondContact O-N 3.1Å; D158-R161 WeakPolarHBondContact O-CB 3.45Å; D158-R161 PolarHBondContact O-N 3.4Å; D158-R161 IonicContact OD1-NH1 3.09Å; R161-Y163 PolarHBondContact O-N 2.94Å; R161-F164 PolarHBondContact O-N 3.36Å; R161-V165 VanDerWaalsContact O-CG2 3.31Å; R161-V165 WeakPolarHBondContact O-CG2 3.39Å; R161-V165 PolarHBondContact O-N 3.21Å; R161-F184 HydrophobicContact CG-CE2 4Å; R161-F184 HydrophobicContact CG-CZ 4.28Å
162	M	86.6	Confident	77.9	Confident	86 Å²	86	71.6 Å²	71.6	42%	0.424	35%	0.346	S	S	.	.	H	α-helix	trans	-61.7	-41.7	176.1	-67.1	173.6	73.7	0	0	112.1	D158 I159 L160 V165 A166 F290 F294	D158-M162 VanDerWaalsContact O-CG 3.3Å; D158-M162 WeakPolarHBondContact O-CG 3.09Å; D158-M162 PolarHBondContact O-N 2.96Å; I159-M162 PolarHBondContact O-N 3.38Å; L160-M162 VanDerWaalsContact C-N 3.3Å; L160-M162 PolarHBondContact O-N 3.06Å; M162-V165 PolarHBondContact O-N 3.45Å; M162-A166 WeakPolarHBondContact O-CB 3.38Å; M162-A166 PolarHBondContact O-N 3.34Å; M162-F290 HydrophobicContact CB-CZ 4.21Å; M162-F294 HydrophobicContact CE-CD2 4.44Å; M162-F294 HydrophobicContact CE-CE2 3.74Å; M162-F294 HydrophobicContact SD-CE2 3.83Å; M162-F294 HydrophobicContact SD-CZ 4.48Å
163	Y	86.7	Confident	76	Confident	1 Å²	1	74.5 Å²	74.5	0%	0.004	38%	0.382	C	S	.	.	H	α-helix	trans	-58.6	-50.4	174.1	164.5	-93.8	0	0	0	112.1	I159 L160 R161 V165 A166 R167 F283 D286 F287 F290	I159-Y163 PolarHBondContact O-N 2.9Å; L160-Y163 WeakPolarHBondContact O-CB 3.26Å; L160-Y163 PolarHBondContact O-N 3.32Å; R161-Y163 PolarHBondContact O-N 2.94Å; Y163-V165 VanDerWaalsContact C-N 3.33Å; Y163-V165 PolarHBondContact O-N 3.04Å; Y163-A166 PolarHBondContact O-N 3.03Å; Y163-R167 HydrophobicContact CD2-CG 4.07Å; Y163-R167 HydrophobicContact CE2-CG 3.74Å; Y163-R167 WeakPolarHBondContact O-CG 3.21Å; Y163-R167 PolarHBondContact O-N 3.13Å; Y163-F283 HydrophobicContact CD1-CE2 4.03Å; Y163-F283 AromaticContact CE1-CD2 3.81Å; Y163-F283 HydrophobicContact CE1-CD2 3.81Å; Y163-F283 AromaticContact CE1-CE2 3.4Å; Y163-F283 HydrophobicContact CE1-CE2 3.4Å; Y163-F283 VanDerWaalsContact CE1-CE2 3.4Å; Y163-F283 AromaticContact CZ-CD2 4Å; Y163-F283 AromaticContact CZ-CE2 3.92Å; Y163-D286 WeakPolarHBondContact CE2-OD2 3.45Å; Y163-D286 PolarHBondContact OH-OD2 3.17Å; Y163-F287 HydrophobicContact CD1-CD2 4.23Å; Y163-F287 AromaticContact CD2-CD2 3.71Å; Y163-F287 HydrophobicContact CD2-CD2 3.71Å; Y163-F287 HydrophobicContact CD2-CE2 4.48Å; Y163-F287 HydrophobicContact CE2-CB 4.25Å; Y163-F287 HydrophobicContact CE2-CD2 4.17Å; Y163-F287 AromaticContact CG-CD2 3.71Å; Y163-F287 HydrophobicContact CG-CD2 3.71Å; Y163-F287 HydrophobicContact CG-CE2 4.18Å; Y163-F290 HydrophobicContact CD2-CB 3.64Å; Y163-F290 AromaticContact CD2-CD1 3.97Å; Y163-F290 HydrophobicContact CD2-CD1 3.97Å; Y163-F290 HydrophobicContact CD2-CD2 4.07Å; Y163-F290 AromaticContact CD2-CG 3.62Å; Y163-F290 HydrophobicContact CD2-CG 3.62Å; Y163-F290 HydrophobicContact CE2-CB 4.15Å; Y163-F290 HydrophobicContact CG-CD1 4.36Å; Y163-F290 HydrophobicContact CG-CG 4.39Å
164	F	83.7	Confident	74.5	Confident	24 Å²	24	66.7 Å²	66.7	11%	0.105	37%	0.373	C	S	.	.	H	α-helix	trans	-66.7	-35.6	-177.8	-79.6	-68.7	0	0	0	112	L160 R161 H168 P180 L183 F184 F283	L160-F164 WeakPolarHBondContact O-CD2 3.27Å; L160-F164 PolarHBondContact O-N 3.38Å; R161-F164 PolarHBondContact O-N 3.36Å; F164-H168 VanDerWaalsContact O-CB 3.31Å; F164-H168 WeakPolarHBondContact O-CB 3.47Å; F164-H168 PolarHBondContact O-CD2 2.94Å; F164-H168 VanDerWaalsContact O-CD2 3.26Å; F164-H168 PolarHBondContact O-N 3.43Å; F164-P180 HydrophobicContact CD1-CB 3.61Å; F164-P180 HydrophobicContact CE1-CB 3.67Å; F164-P180 HydrophobicContact CG-CB 4.38Å; F164-L183 HydrophobicContact CZ-CB 4.14Å; F164-F184 HydrophobicContact CD2-CB 4.41Å; F164-F184 AromaticContact CD2-CD2 3.7Å; F164-F184 HydrophobicContact CD2-CD2 3.7Å; F164-F184 HydrophobicContact CE2-CB 3.75Å; F164-F184 AromaticContact CE2-CD2 3.64Å; F164-F184 HydrophobicContact CE2-CD2 3.64Å; F164-F184 HydrophobicContact CE2-CG 4.2Å; F164-F184 HydrophobicContact CZ-CB 4.25Å; F164-F283 HydrophobicContact CE1-CE2 4.28Å; F164-F283 HydrophobicContact CE2-CE2 4.13Å; F164-F283 HydrophobicContact CZ-CD2 4.25Å; F164-F283 AromaticContact CZ-CE2 3.6Å; F164-F283 HydrophobicContact CZ-CE2 3.6Å; F164-F283 HydrophobicContact CZ-CZ 4.31Å
165	V	82	Confident	72.8	Confident	84 Å²	84	67 Å²	67	51%	0.509	39%	0.387	S	S	.	.	H	α-helix	trans	-62.6	-51	172.2	172.5	0	0	0	0	110.6	R161 M162 Y163 R167 H168 E169	R161-V165 VanDerWaalsContact O-CG2 3.31Å; R161-V165 WeakPolarHBondContact O-CG2 3.39Å; R161-V165 PolarHBondContact O-N 3.21Å; M162-V165 PolarHBondContact O-N 3.45Å; Y163-V165 VanDerWaalsContact C-N 3.33Å; Y163-V165 PolarHBondContact O-N 3.04Å; V165-R167 VanDerWaalsContact C-N 3.27Å; V165-R167 PolarHBondContact O-N 3.24Å; V165-H168 PolarHBondContact O-N 2.93Å; V165-E169 PolarHBondContact O-N 2.95Å; V165-E169 VanDerWaalsContact O-N 3.16Å
166	A	78.8	Confident	70.9	Confident	33 Å²	33	68.8 Å²	68.8	27%	0.273	39%	0.394	S	S	.	.	H	α-helix	trans	-62.4	-30.1	-178.2	0	0	0	0	0	113.9	M162 Y163 N170 F290	M162-A166 WeakPolarHBondContact O-CB 3.38Å; M162-A166 PolarHBondContact O-N 3.34Å; Y163-A166 PolarHBondContact O-N 3.03Å; A166-N170 PolarHBondContact O-ND2 3.4Å; A166-F290 HydrophobicContact CB-CE2 4.1Å
167	R	74	Confident	69	Low	79 Å²	79	71.8 Å²	71.8	30%	0.298	43%	0.425	S	S	.	.	H	α-helix	trans	-88.4	-27.5	177.5	-63.6	-55.6	-174.8	121.5	6.4	113.5	Y163 V165 N170 S171 D286	Y163-R167 HydrophobicContact CD2-CG 4.07Å; Y163-R167 HydrophobicContact CE2-CG 3.74Å; Y163-R167 WeakPolarHBondContact O-CG 3.21Å; Y163-R167 PolarHBondContact O-N 3.13Å; V165-R167 VanDerWaalsContact C-N 3.27Å; V165-R167 PolarHBondContact O-N 3.24Å; R167-N170 PolarHBondContact O-N 3.5Å; R167-S171 PolarHBondContact O-N 3.49Å; R167-D286 IonicContact CZ-OD1 2.88Å; R167-D286 IonicContact CZ-OD2 3.37Å; R167-D286 IonicContact NE-OD2 3.97Å; R167-D286 PolarHBondContact NE-OD2 2.85Å; R167-D286 IonicContact NH1-OD1 3.96Å; R167-D286 PolarHBondContact NH1-OD1 3.48Å; R167-D286 IonicContact NH1-OD2 3.58Å; R167-D286 PolarHBondContact NH1-OD2 3.4Å; R167-D286 PolarHBondContact NH2-O 3.18Å; R167-D286 IonicContact NH2-OD1 2.94Å; R167-D286 PolarHBondContact NH2-OD1 3.42Å; R167-D286 IonicContact NH2-OD2 3.93Å; R167-D286 PolarHBondContact NH2-OD2 2.81Å; R167-D286 VanDerWaalsContact NH2-OD2 3.17Å
168	H	65.3	Low	67.2	Low	111 Å²	111	76.8 Å²	76.8	51%	0.514	44%	0.442	S	S	.	.	H	α-helix	trans	-70.7	-31.3	173	-96.2	-73.6	0	0	0	113.5	F164 V165 N170 P180	F164-H168 VanDerWaalsContact O-CB 3.31Å; F164-H168 WeakPolarHBondContact O-CB 3.47Å; F164-H168 PolarHBondContact O-CD2 2.94Å; F164-H168 VanDerWaalsContact O-CD2 3.26Å; F164-H168 PolarHBondContact O-N 3.43Å; V165-H168 PolarHBondContact O-N 2.93Å; H168-N170 PolarHBondContact O-N 3.48Å; H168-P180 WeakPolarHBondContact NE2-CG 3.3Å
169	E	53.9	Low	66	Low	155 Å²	155	77.8 Å²	77.8	72%	0.724	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-19.9	174.5	-71.6	179.2	174.5	0	0	112.7	V165	V165-E169 PolarHBondContact O-N 2.95Å; V165-E169 VanDerWaalsContact O-N 3.16Å
170	N	51.5	Low	65.1	Low	131 Å²	131	79.2 Å²	79.2	70%	0.701	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.3	5	-173.7	-73.4	-51.2	0	0	0	114.7	A166 R167 H168	A166-N170 PolarHBondContact O-ND2 3.4Å; R167-N170 PolarHBondContact O-N 3.5Å; H168-N170 PolarHBondContact O-N 3.48Å
171	S	50.4	Low	64.5	Low	60 Å²	60	82 Å²	82	42%	0.42	49%	0.485	S	S	.	.			trans	-134.3	103.7	-178.1	-72.8	0	0	0	0	111.4	R167 G173	R167-S171 PolarHBondContact O-N 3.49Å; S171-G173 VanDerWaalsContact C-N 3.27Å; S171-G173 PolarHBondContact O-N 3.03Å
172	D	44.8	Very low	63.9	Low	174 Å²	174	78 Å²	78	93%	0.93	48%	0.477	S	S	*	.			trans	-55.8	92.3	157.8	-90.9	-25.7	0	0	0	109	G174	D172-G174 PolarHBondContact O-N 3.38Å
173	G	44	Very low	63.5	Low	85 Å²	85	74.4 Å²	74.4	88%	0.876	46%	0.459	S	S	*	.	S	Bend	trans	57.2	-2.9	154.3	0	0	0	0	0	120.4	S171	S171-G173 VanDerWaalsContact C-N 3.27Å; S171-G173 PolarHBondContact O-N 3.03Å
174	G	48.8	Very low	63.3	Low	65 Å²	65	75.8 Å²	75.8	67%	0.67	47%	0.465	S	S	*	.			trans	-109.1	-30.6	-157.1	0	0	0	0	0	117.9	D172	D172-G174 PolarHBondContact O-N 3.38Å
175	A	51.5	Low	63.2	Low	75 Å²	75	80.1 Å²	80.1	62%	0.62	49%	0.485	S	S	*	.	S	Bend	trans	-87.3	-31.9	-165.1	0	0	0	0	0	114.7
176	F	51.4	Low	63	Low	66 Å²	66	76.7 Å²	76.7	29%	0.289	47%	0.466	S	S	.	.			trans	-118	71.9	-177.4	-72.3	-79.4	0	0	0	110.6	R178 L183 F283	F176-R178 PolarHBondContact O-N 3.4Å; F176-R178 VanDerWaalsContact O-O 3.09Å; F176-L183 HydrophobicContact CD1-CD1 3.36Å; F176-L183 HydrophobicContact CE1-CD1 3.49Å; F176-L183 VanDerWaalsContact CE1-CD1 3.49Å; F176-L183 HydrophobicContact CG-CD1 4.38Å; F176-F283 HydrophobicContact CE1-CB 4.27Å
177	G	50.5	Low	63.2	Low	62 Å²	62	75.2 Å²	75.2	64%	0.639	45%	0.454	S	S	*	.			trans	-64.5	27.7	-179.3	0	0	0	0	0	117.1
178	R	52.8	Low	63.8	Low	130 Å²	130	71.6 Å²	71.6	49%	0.491	44%	0.44	S	S	.	.	S	Bend	trans	-152.6	148.6	160.8	-85.2	-163.3	-177.5	149.3	-1.1	108.2	F176 F274	F176-R178 PolarHBondContact O-N 3.4Å; F176-R178 VanDerWaalsContact O-O 3.09Å; R178-F274 PolarHBondContact NH1-O 3.13Å
179	S	64.7	Low	64.7	Low	66 Å²	66	68.9 Å²	68.9	46%	0.462	43%	0.433	S	S	.	.			trans	-52.6	130.2	-162.1	77.4	0	0	0	0	112.4	A181 V182	S179-A181 PolarHBondContact O-N 3.13Å; S179-V182 PolarHBondContact O-N 3.45Å
180	P	71.9	Confident	66	Low	31 Å²	31	62.3 Å²	62.3	20%	0.201	40%	0.402	C	S	.	.	H	α-helix	trans	-46.2	-30.3	173.8	-25.2	25.3	0	0	0	113.6	F164 H168 V182 L183 F184	F164-P180 HydrophobicContact CD1-CB 3.61Å; F164-P180 HydrophobicContact CE1-CB 3.67Å; F164-P180 HydrophobicContact CG-CB 4.38Å; H168-P180 WeakPolarHBondContact NE2-CG 3.3Å; P180-V182 VanDerWaalsContact C-N 3.28Å; P180-V182 PolarHBondContact O-N 3.15Å; P180-L183 PolarHBondContact O-N 3.01Å; P180-F184 WeakPolarHBondContact O-CB 3.4Å; P180-F184 PolarHBondContact O-N 2.57Å
181	A	74.4	Confident	67.7	Low	58 Å²	58	56.2 Å²	56.2	48%	0.479	37%	0.37	S	S	.	.	H	α-helix	trans	-54.8	-38.5	173.2	0	0	0	0	0	113.1	S179 F184 E185	S179-A181 PolarHBondContact O-N 3.13Å; A181-F184 PolarHBondContact O-N 2.92Å; A181-E185 WeakPolarHBondContact O-CB 3.35Å; A181-E185 VanDerWaalsContact O-CG 3.28Å; A181-E185 WeakPolarHBondContact O-CG 3.43Å; A181-E185 PolarHBondContact O-N 3.44Å
182	V	74.9	Confident	69.5	Low	63 Å²	63	55 Å²	55	38%	0.382	36%	0.358	S	S	.	.	H	α-helix	trans	-67.1	-40.8	178.5	-179.1	0	0	0	0	111.4	S179 P180 A186 V275	S179-V182 PolarHBondContact O-N 3.45Å; P180-V182 VanDerWaalsContact C-N 3.28Å; P180-V182 PolarHBondContact O-N 3.15Å; V182-A186 VanDerWaalsContact O-CB 3.22Å; V182-A186 WeakPolarHBondContact O-CB 3.13Å; V182-A186 PolarHBondContact O-N 3.44Å; V182-V275 HydrophobicContact CG1-CG2 3.64Å
183	L	76.6	Confident	71.4	Confident	10 Å²	10	49 Å²	49	5%	0.052	34%	0.337	C	S	.	.	H	α-helix	trans	-69.4	-40.8	176.5	-72.7	174.9	0	0	0	111.5	F164 F176 P180 A186 F187 V275 L280 F283	F164-L183 HydrophobicContact CZ-CB 4.14Å; F176-L183 HydrophobicContact CD1-CD1 3.36Å; F176-L183 HydrophobicContact CE1-CD1 3.49Å; F176-L183 VanDerWaalsContact CE1-CD1 3.49Å; F176-L183 HydrophobicContact CG-CD1 4.38Å; P180-L183 PolarHBondContact O-N 3.01Å; L183-A186 PolarHBondContact O-N 3.27Å; L183-F187 WeakPolarHBondContact O-CB 3.41Å; L183-F187 PolarHBondContact O-N 3.4Å; L183-V275 HydrophobicContact CD2-CG1 3.78Å; L183-L280 HydrophobicContact CD2-CD1 4.33Å; L183-F283 HydrophobicContact CD1-CB 4.35Å
184	F	83.6	Confident	73.2	Confident	29 Å²	29	46 Å²	46	13%	0.127	30%	0.3	C	S	.	.	H	α-helix	trans	-55.5	-54.9	173.8	-174.8	-83.2	0	0	0	111.1	I157 L160 R161 F164 P180 A181 A186 F187 I188	I157-F184 HydrophobicContact CB-CZ 4.46Å; I157-F184 HydrophobicContact CG2-CZ 3.79Å; L160-F184 HydrophobicContact CB-CD2 3.84Å; L160-F184 HydrophobicContact CB-CE2 3.45Å; L160-F184 VanDerWaalsContact CB-CE2 3.45Å; L160-F184 HydrophobicContact CB-CZ 4.38Å; L160-F184 HydrophobicContact CD1-CE2 4.32Å; R161-F184 HydrophobicContact CG-CE2 4Å; R161-F184 HydrophobicContact CG-CZ 4.28Å; F164-F184 HydrophobicContact CD2-CB 4.41Å; F164-F184 AromaticContact CD2-CD2 3.7Å; F164-F184 HydrophobicContact CD2-CD2 3.7Å; F164-F184 HydrophobicContact CE2-CB 3.75Å; F164-F184 AromaticContact CE2-CD2 3.64Å; F164-F184 HydrophobicContact CE2-CD2 3.64Å; F164-F184 HydrophobicContact CE2-CG 4.2Å; F164-F184 HydrophobicContact CZ-CB 4.25Å; P180-F184 WeakPolarHBondContact O-CB 3.4Å; P180-F184 PolarHBondContact O-N 2.57Å; A181-F184 PolarHBondContact O-N 2.92Å; F184-A186 PolarHBondContact O-N 2.84Å; F184-F187 PolarHBondContact O-N 2.99Å; F184-I188 HydrophobicContact CD1-CG1 4.15Å; F184-I188 HydrophobicContact CE1-CG1 3.89Å; F184-I188 HydrophobicContact CZ-CG1 4.33Å; F184-I188 WeakPolarHBondContact O-CB 3.45Å; F184-I188 VanDerWaalsContact O-CG1 3.3Å; F184-I188 WeakPolarHBondContact O-CG1 3.28Å; F184-I188 PolarHBondContact O-N 3.39Å
185	E	82.4	Confident	75	Confident	115 Å²	115	49.1 Å²	49.1	54%	0.537	29%	0.291	S	S	.	.	H	α-helix	trans	-65	-38.8	-179.5	-69.5	-60.3	150.9	0	0	112.2	A181 S189	A181-E185 WeakPolarHBondContact O-CB 3.35Å; A181-E185 VanDerWaalsContact O-CG 3.28Å; A181-E185 WeakPolarHBondContact O-CG 3.43Å; A181-E185 PolarHBondContact O-N 3.44Å; E185-S189 WeakPolarHBondContact O-CB 3.49Å; E185-S189 PolarHBondContact O-N 3.1Å
186	A	77	Confident	76.7	Confident	12 Å²	12	45.9 Å²	45.9	10%	0.099	26%	0.264	C	S	.	.	H	α-helix	trans	-62.8	-44.3	176.3	0	0	0	0	0	112	V182 L183 F184 S189 W190	V182-A186 VanDerWaalsContact O-CB 3.22Å; V182-A186 WeakPolarHBondContact O-CB 3.13Å; V182-A186 PolarHBondContact O-N 3.44Å; L183-A186 PolarHBondContact O-N 3.27Å; F184-A186 PolarHBondContact O-N 2.84Å; A186-S189 PolarHBondContact O-N 3.3Å; A186-W190 WeakPolarHBondContact O-CB 3.3Å; A186-W190 PolarHBondContact O-N 3Å
187	F	82.7	Confident	78.2	Confident	3 Å²	3	44 Å²	44	1%	0.013	26%	0.257	C	S	.	.	H	α-helix	trans	-66.8	-44.1	178.7	-177.5	-89	0	0	0	112.2	V156 L160 L183 F184 W190 L191 L250 F254 F283 F287	V156-F187 HydrophobicContact CG1-CE1 3.94Å; L160-F187 HydrophobicContact CD1-CD1 3.48Å; L160-F187 VanDerWaalsContact CD1-CD1 3.48Å; L160-F187 HydrophobicContact CD1-CE1 3.82Å; L160-F187 HydrophobicContact CD1-CG 4.48Å; L160-F187 HydrophobicContact CD2-CD1 4.01Å; L160-F187 HydrophobicContact CD2-CE1 4.14Å; L160-F187 HydrophobicContact CG-CD1 4.31Å; L160-F187 HydrophobicContact CG-CE1 4.37Å; L183-F187 WeakPolarHBondContact O-CB 3.41Å; L183-F187 PolarHBondContact O-N 3.4Å; F184-F187 PolarHBondContact O-N 2.99Å; F187-W190 HydrophobicContact CD2-CE3 4.34Å; F187-W190 HydrophobicContact CE2-CE3 4.3Å; F187-W190 HydrophobicContact CE2-CZ3 4.17Å; F187-W190 HydrophobicContact CZ-CZ3 4.39Å; F187-W190 PolarHBondContact O-N 2.85Å; F187-L191 HydrophobicContact CE1-CD2 4.41Å; F187-L191 WeakPolarHBondContact O-CB 3.45Å; F187-L191 PolarHBondContact O-N 3.46Å; F187-L250 HydrophobicContact CZ-CD2 4.26Å; F187-F254 HydrophobicContact CE2-CE1 4.33Å; F187-F254 AromaticContact CE2-CE2 3.96Å; F187-F254 HydrophobicContact CE2-CE2 3.96Å; F187-F254 AromaticContact CE2-CZ 3.43Å; F187-F254 HydrophobicContact CE2-CZ 3.43Å; F187-F254 VanDerWaalsContact CE2-CZ 3.43Å; F187-F254 AromaticContact CZ-CE2 3.64Å; F187-F254 HydrophobicContact CZ-CE2 3.64Å; F187-F254 AromaticContact CZ-CZ 3.62Å; F187-F254 HydrophobicContact CZ-CZ 3.62Å; F187-F283 HydrophobicContact CB-CE1 3.97Å; F187-F283 HydrophobicContact CB-CZ 4.35Å; F187-F283 AromaticContact CD2-CE1 3.56Å; F187-F283 HydrophobicContact CD2-CE1 3.56Å; F187-F283 HydrophobicContact CD2-CZ 4.27Å; F187-F283 HydrophobicContact CE2-CE1 4.22Å; F187-F283 AromaticContact CG-CE1 3.95Å; F187-F283 HydrophobicContact CG-CE1 3.95Å; F187-F283 HydrophobicContact CG-CZ 4.34Å; F187-F287 HydrophobicContact CE1-CE1 4.27Å; F187-F287 HydrophobicContact CE2-CD1 4.26Å; F187-F287 HydrophobicContact CE2-CE1 4.32Å; F187-F287 HydrophobicContact CZ-CD1 4.1Å; F187-F287 AromaticContact CZ-CE1 3.7Å; F187-F287 HydrophobicContact CZ-CE1 3.7Å
188	I	86.8	Confident	79.8	Confident	2 Å²	2	42.6 Å²	42.6	1%	0.01	23%	0.234	C	C	.	.	H	α-helix	trans	-61.5	-46.1	177	-71	-62.1	0	0	0	110.8	V156 I157 L160 F184 W190 L191 D192	V156-I188 HydrophobicContact CG1-CD1 4.35Å; I157-I188 HydrophobicContact CG1-CD1 3.71Å; L160-I188 HydrophobicContact CD1-CD1 3.44Å; L160-I188 VanDerWaalsContact CD1-CD1 3.44Å; L160-I188 HydrophobicContact CD1-CG1 3.93Å; F184-I188 HydrophobicContact CD1-CG1 4.15Å; F184-I188 HydrophobicContact CE1-CG1 3.89Å; F184-I188 HydrophobicContact CZ-CG1 4.33Å; F184-I188 WeakPolarHBondContact O-CB 3.45Å; F184-I188 VanDerWaalsContact O-CG1 3.3Å; F184-I188 WeakPolarHBondContact O-CG1 3.28Å; F184-I188 PolarHBondContact O-N 3.39Å; I188-W190 VanDerWaalsContact C-N 3.31Å; I188-W190 PolarHBondContact O-N 3.35Å; I188-L191 PolarHBondContact O-N 3.36Å; I188-D192 WeakPolarHBondContact O-CB 3.44Å; I188-D192 PolarHBondContact O-N 3.31Å
189	S	83.4	Confident	81.2	Confident	54 Å²	54	36.4 Å²	36.4	38%	0.378	21%	0.211	S	C	.	.	H	α-helix	trans	-59.4	-42.7	176.3	-175.8	0	0	0	0	111.7	E185 A186 G193	E185-S189 WeakPolarHBondContact O-CB 3.49Å; E185-S189 PolarHBondContact O-N 3.1Å; A186-S189 PolarHBondContact O-N 3.3Å; S189-G193 PolarHBondContact O-N 3.2Å
190	W	82.7	Confident	81.7	Confident	18 Å²	18	35.6 Å²	35.6	7%	0.068	20%	0.204	C	C	.	.	H	α-helix	trans	-62.9	-50.9	174.9	169.6	72.1	0	0	0	112.3	A186 F187 I188 D192 G193 Y194 I253 F254 V263 C266	A186-W190 WeakPolarHBondContact O-CB 3.3Å; A186-W190 PolarHBondContact O-N 3Å; F187-W190 HydrophobicContact CD2-CE3 4.34Å; F187-W190 HydrophobicContact CE2-CE3 4.3Å; F187-W190 HydrophobicContact CE2-CZ3 4.17Å; F187-W190 HydrophobicContact CZ-CZ3 4.39Å; F187-W190 PolarHBondContact O-N 2.85Å; I188-W190 VanDerWaalsContact C-N 3.31Å; I188-W190 PolarHBondContact O-N 3.35Å; W190-D192 VanDerWaalsContact C-N 3.33Å; W190-D192 PolarHBondContact O-N 2.93Å; W190-G193 CarbonylContact O-C 3.57Å; W190-G193 PolarHBondContact O-N 3.11Å; W190-Y194 HydrophobicContact CZ2-CD1 4.41Å; W190-Y194 HydrophobicContact CZ2-CD2 4.06Å; W190-Y194 HydrophobicContact CZ2-CE2 4.45Å; W190-Y194 HydrophobicContact CZ2-CG 4.08Å; W190-Y194 WeakPolarHBondContact O-CB 3.43Å; W190-Y194 PolarHBondContact O-N 2.92Å; W190-I253 HydrophobicContact CH2-CG2 3.83Å; W190-F254 HydrophobicContact CH2-CE1 4.21Å; W190-F254 HydrophobicContact CH2-CE2 4.49Å; W190-F254 AromaticContact CH2-CZ 3.71Å; W190-F254 HydrophobicContact CH2-CZ 3.71Å; W190-F254 HydrophobicContact CZ3-CE1 4.36Å; W190-F254 HydrophobicContact CZ3-CE2 4.21Å; W190-F254 AromaticContact CZ3-CZ 3.51Å; W190-F254 HydrophobicContact CZ3-CZ 3.51Å; W190-V263 HydrophobicContact CH2-CG2 4.38Å; W190-V263 HydrophobicContact CZ2-CG2 4.25Å; W190-C266 VanDerWaalsContact CD1-CB 3.48Å; W190-C266 HydrophobicContact CD2-CB 4.42Å; W190-C266 HydrophobicContact CG-CB 4.11Å; W190-C266 VanDerWaalsContact NE1-CB 3.33Å
191	L	86.4	Confident	82	Confident	3 Å²	3	37.9 Å²	37.9	2%	0.016	21%	0.214	C	C	.	.	H	α-helix	trans	-62.9	-41.3	-175.9	-178.7	66.6	0	0	0	111.5	V156 F187 I188 G193 Y194 P241 L250 I253	V156-L191 HydrophobicContact CB-CD2 4.02Å; V156-L191 HydrophobicContact CG1-CD2 3.69Å; V156-L191 HydrophobicContact CG2-CD2 3.76Å; F187-L191 HydrophobicContact CE1-CD2 4.41Å; F187-L191 WeakPolarHBondContact O-CB 3.45Å; F187-L191 PolarHBondContact O-N 3.46Å; I188-L191 PolarHBondContact O-N 3.36Å; L191-G193 VanDerWaalsContact C-N 3.28Å; L191-G193 PolarHBondContact O-N 3.16Å; L191-Y194 WeakPolarHBondContact O-CB 3.39Å; L191-Y194 PolarHBondContact O-N 3.08Å; L191-Y194 VanDerWaalsContact O-N 3.13Å; L191-P241 HydrophobicContact CG-CB 4.5Å; L191-L250 HydrophobicContact CD2-CD2 4.35Å; L191-I253 HydrophobicContact CD1-CD1 3.72Å
192	D	89.2	Confident	82	Confident	33 Å²	33	35.3 Å²	35.3	18%	0.176	19%	0.192	C	C	.	.	H	α-helix	trans	-71.5	-24.3	179.8	-69.9	-28	0	0	0	113.1	I188 W190 R240 P241 S242	I188-D192 WeakPolarHBondContact O-CB 3.44Å; I188-D192 PolarHBondContact O-N 3.31Å; W190-D192 VanDerWaalsContact C-N 3.33Å; W190-D192 PolarHBondContact O-N 2.93Å; D192-R240 IonicContact OD2-CZ 2.67Å; D192-R240 IonicContact OD2-NE 3.53Å; D192-R240 PolarHBondContact OD2-NE 3.39Å; D192-R240 IonicContact OD2-NH2 2.72Å; D192-R240 PolarHBondContact OD2-NH2 3.28Å; D192-P241 VanDerWaalsContact OD1-CD 3.28Å; D192-P241 WeakPolarHBondContact OD1-CD 3.24Å; D192-S242 VanDerWaalsContact CG-OG 3.23Å; D192-S242 WeakPolarHBondContact OD1-CB 3.41Å; D192-S242 PolarHBondContact OD1-N 2.91Å; D192-S242 PolarHBondContact OD1-OG 3.3Å; D192-S242 PolarHBondContact OD2-OG 3.25Å
193	G	84	Confident	81.7	Confident	48 Å²	48	35.4 Å²	35.4	50%	0.495	19%	0.188	S	C	.	.	H	α-helix	trans	-88.4	-5.4	170.5	0	0	0	0	0	114.2	S189 W190 L191	S189-G193 PolarHBondContact O-N 3.2Å; W190-G193 CarbonylContact O-C 3.57Å; W190-G193 PolarHBondContact O-N 3.11Å; L191-G193 VanDerWaalsContact C-N 3.28Å; L191-G193 PolarHBondContact O-N 3.16Å
194	Y	82.5	Confident	81.4	Confident	23 Å²	23	42.8 Å²	42.8	9%	0.09	22%	0.224	C	C	.	.			trans	-78.2	127.3	-171.9	-174.7	-123.3	0	0	0	111.9	W190 L191 L196 I253 N260 S262	W190-Y194 HydrophobicContact CZ2-CD1 4.41Å; W190-Y194 HydrophobicContact CZ2-CD2 4.06Å; W190-Y194 HydrophobicContact CZ2-CE2 4.45Å; W190-Y194 HydrophobicContact CZ2-CG 4.08Å; W190-Y194 WeakPolarHBondContact O-CB 3.43Å; W190-Y194 PolarHBondContact O-N 2.92Å; L191-Y194 WeakPolarHBondContact O-CB 3.39Å; L191-Y194 PolarHBondContact O-N 3.08Å; L191-Y194 VanDerWaalsContact O-N 3.13Å; Y194-L196 HydrophobicContact CD1-CD2 3.84Å; Y194-L196 HydrophobicContact CE1-CD2 3.85Å; Y194-I253 HydrophobicContact CD1-CD1 4.26Å; Y194-I253 HydrophobicContact CE1-CD1 4.42Å; Y194-I253 HydrophobicContact CE1-CG1 4.43Å; Y194-I253 HydrophobicContact CE1-CG2 4.43Å; Y194-N260 PolarHBondContact OH-ND2 3Å; Y194-N260 PolarHBondContact OH-OD1 3.45Å; Y194-S262 VanDerWaalsContact CE2-OG 3.29Å; Y194-S262 WeakPolarHBondContact CE2-OG 3.34Å; Y194-S262 WeakPolarHBondContact OH-CB 3.34Å; Y194-S262 PolarHBondContact OH-OG 2.96Å
195	R	85.9	Confident	80.6	Confident	130 Å²	130	45.7 Å²	45.7	49%	0.491	24%	0.241	S	C	.	.			trans	-88.6	114.4	173.6	-164	-178.9	-179.3	-171.5	-2.6	109.5	W223	R195-W223 HydrophobicContact CB-CZ2 4.46Å; R195-W223 HydrophobicContact CG-CH2 3.66Å; R195-W223 HydrophobicContact CG-CZ2 4.02Å
196	L	86.7	Confident	79.6	Confident	8 Å²	8	41.2 Å²	41.2	4%	0.042	22%	0.223	C	C	.	.	P	Polyproline II helix	trans	-62.6	149.3	177.2	-63.4	-174.1	0	0	0	111.3	Y194 Y220 W223 L249 I253	Y194-L196 HydrophobicContact CD1-CD2 3.84Å; Y194-L196 HydrophobicContact CE1-CD2 3.85Å; L196-Y220 HydrophobicContact CB-CD2 3.78Å; L196-Y220 HydrophobicContact CB-CE2 4.03Å; L196-Y220 HydrophobicContact CD1-CD2 4.48Å; L196-W223 HydrophobicContact CB-CD2 3.99Å; L196-W223 HydrophobicContact CB-CE3 3.86Å; L196-W223 HydrophobicContact CB-CH2 4.36Å; L196-W223 HydrophobicContact CB-CZ2 4.46Å; L196-W223 HydrophobicContact CB-CZ3 4.04Å; L196-W223 HydrophobicContact CD1-CB 3.58Å; L196-W223 HydrophobicContact CD1-CD2 3.65Å; L196-W223 HydrophobicContact CD1-CE3 4Å; L196-W223 HydrophobicContact CD1-CG 3.44Å; L196-W223 VanDerWaalsContact CD1-CG 3.44Å; L196-W223 HydrophobicContact CG-CD2 3.69Å; L196-W223 HydrophobicContact CG-CE3 4.07Å; L196-W223 HydrophobicContact CG-CG 3.87Å; L196-L249 HydrophobicContact CD1-CD1 3.79Å; L196-L249 HydrophobicContact CD2-CD1 4.08Å; L196-I253 HydrophobicContact CD2-CD1 3.89Å; L196-I253 HydrophobicContact CD2-CG1 4.13Å
197	V	83.7	Confident	78.9	Confident	26 Å²	26	52.5 Å²	52.5	16%	0.158	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-74.2	130.5	177.8	178.9	0	0	0	0	109.1	I201 F202 L205 Y216 Y220 F258	V197-I201 HydrophobicContact CG1-CB 3.69Å; V197-I201 HydrophobicContact CG1-CG2 3.6Å; V197-F202 HydrophobicContact CG1-CB 4.23Å; V197-L205 HydrophobicContact CG1-CD1 4.05Å; V197-Y216 PolarHBondContact N-OH 3.09Å; V197-Y216 VanDerWaalsContact N-OH 3.16Å; V197-Y216 VanDerWaalsContact O-CE1 3.31Å; V197-Y216 WeakPolarHBondContact O-CE1 3.4Å; V197-Y216 PolarHBondContact O-OH 3.21Å; V197-Y220 WeakPolarHBondContact O-CD2 3.47Å; V197-Y220 WeakPolarHBondContact O-CE2 3.17Å; V197-F258 HydrophobicContact CG2-CZ 4.17Å
198	Q	84.1	Confident	78.2	Confident	32 Å²	32	53.6 Å²	53.6	15%	0.15	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-54.8	137.6	178	-74.3	166.5	-21	0	0	110.8	S116 D119 P200 I201 F202 Y220	S116-Q198 VanDerWaalsContact CB-CD 3.46Å; D119-Q198 PolarHBondContact OD2-NE2 2.86Å; Q198-P200 VanDerWaalsContact C-CD 3.44Å; Q198-P200 VanDerWaalsContact C-N 3.35Å; Q198-I201 HydrophobicContact CB-CD1 4.34Å; Q198-I201 HydrophobicContact CB-CG1 4.49Å; Q198-I201 WeakPolarHBondContact O-CA 3.42Å; Q198-I201 WeakPolarHBondContact O-CB 3.22Å; Q198-I201 PolarHBondContact O-N 3.3Å; Q198-F202 PolarHBondContact O-N 3.45Å; Q198-Y220 HydrophobicContact CG-CE2 4.4Å; Q198-Y220 VanDerWaalsContact CG-OH 3.24Å; Q198-Y220 WeakPolarHBondContact CG-OH 3.48Å
199	P	81.9	Confident	77.3	Confident	1 Å²	1	56.9 Å²	56.9	1%	0.006	29%	0.287	C	S	.	.	H	α-helix	trans	-51.8	-42.2	-175.7	-29.2	37.4	0	0	0	114.8	I201 F202 E203 Y216 Y220	P199-I201 PolarHBondContact O-N 3.46Å; P199-F202 PolarHBondContact O-N 2.86Å; P199-F202 VanDerWaalsContact O-N 3.13Å; P199-E203 VanDerWaalsContact O-CG 3.24Å; P199-E203 WeakPolarHBondContact O-CG 3.32Å; P199-E203 PolarHBondContact O-N 2.84Å; P199-Y216 HydrophobicContact CG-CD1 4.5Å; P199-Y216 HydrophobicContact CG-CE1 4.34Å; P199-Y220 HydrophobicContact CG-CD1 3.72Å; P199-Y220 HydrophobicContact CG-CD2 4.24Å; P199-Y220 HydrophobicContact CG-CE1 4.33Å; P199-Y220 HydrophobicContact CG-CG 3.66Å
200	P	75.8	Confident	76.4	Confident	49 Å²	49	58.8 Å²	58.8	32%	0.318	29%	0.289	S	S	.	.	H	α-helix	trans	-56.9	-35.9	175.5	-26	35.3	0	0	0	113.9	H118 Q198 M204	H118-P200 HydrophobicContact CB-CG 4.15Å; Q198-P200 VanDerWaalsContact C-CD 3.44Å; Q198-P200 VanDerWaalsContact C-N 3.35Å; P200-M204 WeakPolarHBondContact O-CG 3.36Å
201	I	77.3	Confident	75.6	Confident	79 Å²	79	60.7 Å²	60.7	41%	0.405	30%	0.298	S	S	.	.	H	α-helix	trans	-78.7	-42.4	177.6	-58.4	175	0	0	0	109.9	V197 Q198 P199 E203 M204 L205	V197-I201 HydrophobicContact CG1-CB 3.69Å; V197-I201 HydrophobicContact CG1-CG2 3.6Å; Q198-I201 HydrophobicContact CB-CD1 4.34Å; Q198-I201 HydrophobicContact CB-CG1 4.49Å; Q198-I201 WeakPolarHBondContact O-CA 3.42Å; Q198-I201 WeakPolarHBondContact O-CB 3.22Å; Q198-I201 PolarHBondContact O-N 3.3Å; P199-I201 PolarHBondContact O-N 3.46Å; I201-E203 PolarHBondContact O-N 2.91Å; I201-M204 WeakPolarHBondContact O-CB 3.29Å; I201-M204 PolarHBondContact O-N 3.33Å; I201-L205 HydrophobicContact CG2-CD1 4.1Å; I201-L205 HydrophobicContact CG2-CG 4.4Å; I201-L205 WeakPolarHBondContact O-CG 3.5Å; I201-L205 PolarHBondContact O-N 3.2Å
202	F	75.2	Confident	74.9	Confident	4 Å²	4	63 Å²	63	2%	0.018	31%	0.309	C	S	.	.	H	α-helix	trans	-55.8	-40.2	178.2	-177.1	-97.8	0	0	0	111.9	V197 Q198 P199 M204 L205 Y216 H252 F258	V197-F202 HydrophobicContact CG1-CB 4.23Å; Q198-F202 PolarHBondContact O-N 3.45Å; P199-F202 PolarHBondContact O-N 2.86Å; P199-F202 VanDerWaalsContact O-N 3.13Å; F202-M204 VanDerWaalsContact C-N 3.31Å; F202-M204 PolarHBondContact O-N 2.88Å; F202-L205 PolarHBondContact O-N 3.48Å; F202-Y216 HydrophobicContact CB-CD1 3.89Å; F202-Y216 HydrophobicContact CB-CE1 3.46Å; F202-Y216 VanDerWaalsContact CB-CE1 3.46Å; F202-Y216 AromaticContact CD1-CD1 3.28Å; F202-Y216 HydrophobicContact CD1-CD1 3.28Å; F202-Y216 HydrophobicContact CD1-CD2 4.29Å; F202-Y216 AromaticContact CD1-CE1 3.72Å; F202-Y216 HydrophobicContact CD1-CE1 3.72Å; F202-Y216 AromaticContact CD1-CG 3.59Å; F202-Y216 HydrophobicContact CD1-CG 3.59Å; F202-Y216 HydrophobicContact CD2-CD1 4.02Å; F202-Y216 HydrophobicContact CD2-CD2 4.21Å; F202-Y216 AromaticContact CD2-CE1 3.67Å; F202-Y216 HydrophobicContact CD2-CE1 3.67Å; F202-Y216 AromaticContact CD2-CE2 3.84Å; F202-Y216 HydrophobicContact CD2-CE2 3.84Å; F202-Y216 HydrophobicContact CD2-CG 4.26Å; F202-Y216 AromaticContact CD2-CZ 3.54Å; F202-Y216 AromaticContact CE1-CD1 3.7Å; F202-Y216 HydrophobicContact CE1-CD1 3.7Å; F202-Y216 AromaticContact CE1-CD2 3.95Å; F202-Y216 HydrophobicContact CE1-CD2 3.95Å; F202-Y216 HydrophobicContact CE1-CE1 4.35Å; F202-Y216 AromaticContact CE1-CG 3.45Å; F202-Y216 HydrophobicContact CE1-CG 3.45Å; F202-Y216 VanDerWaalsContact CE1-CG 3.45Å; F202-Y216 HydrophobicContact CE2-CD1 4.37Å; F202-Y216 AromaticContact CE2-CD2 3.86Å; F202-Y216 HydrophobicContact CE2-CD2 3.86Å; F202-Y216 HydrophobicContact CE2-CE1 4.3Å; F202-Y216 AromaticContact CE2-CE2 3.75Å; F202-Y216 HydrophobicContact CE2-CE2 3.75Å; F202-Y216 HydrophobicContact CE2-CG 4.14Å; F202-Y216 AromaticContact CE2-CZ 3.97Å; F202-Y216 AromaticContact CG-CD1 3.45Å; F202-Y216 HydrophobicContact CG-CD1 3.45Å; F202-Y216 VanDerWaalsContact CG-CD1 3.45Å; F202-Y216 HydrophobicContact CG-CD2 4.4Å; F202-Y216 AromaticContact CG-CE1 3.33Å; F202-Y216 HydrophobicContact CG-CE1 3.33Å; F202-Y216 HydrophobicContact CG-CE2 4.29Å; F202-Y216 AromaticContact CG-CG 3.99Å; F202-Y216 HydrophobicContact CG-CG 3.99Å; F202-Y216 AromaticContact CG-CZ 3.75Å; F202-Y216 HydrophobicContact CZ-CD1 4.22Å; F202-Y216 AromaticContact CZ-CD2 3.72Å; F202-Y216 HydrophobicContact CZ-CD2 3.72Å; F202-Y216 HydrophobicContact CZ-CE2 4.11Å; F202-Y216 AromaticContact CZ-CG 3.74Å; F202-Y216 HydrophobicContact CZ-CG 3.74Å; F202-H252 HydrophobicContact CZ-CB 4.23Å; F202-F258 HydrophobicContact CD2-CE2 4.09Å; F202-F258 HydrophobicContact CD2-CZ 4.33Å; F202-F258 HydrophobicContact CE2-CD2 4.43Å; F202-F258 HydrophobicContact CE2-CE2 4.21Å
203	E	68.6	Low	74	Confident	65 Å²	65	64.1 Å²	64.1	30%	0.304	31%	0.311	S	S	.	.	H	α-helix	trans	-63.9	-32.8	176.8	-70.4	176.1	-164.9	0	0	113.4	P199 I201 R213	P199-E203 VanDerWaalsContact O-CG 3.24Å; P199-E203 WeakPolarHBondContact O-CG 3.32Å; P199-E203 PolarHBondContact O-N 2.84Å; I201-E203 PolarHBondContact O-N 2.91Å; E203-R213 HydrophobicContact CG-CG 4.02Å
204	M	69.4	Low	73.3	Confident	165 Å²	165	63.8 Å²	63.8	81%	0.813	30%	0.299	S	S	*	.	H	α-helix	trans	-77.5	-22.5	179	-68.8	177.6	57	0	0	113.3	P200 I201 F202	P200-M204 WeakPolarHBondContact O-CG 3.36Å; I201-M204 WeakPolarHBondContact O-CB 3.29Å; I201-M204 PolarHBondContact O-N 3.33Å; F202-M204 VanDerWaalsContact C-N 3.31Å; F202-M204 PolarHBondContact O-N 2.88Å
205	L	67.3	Low	73	Confident	90 Å²	90	65.9 Å²	65.9	47%	0.471	31%	0.31	S	S	.	.	H	α-helix	trans	-78	-22.2	-170.7	-72	170.3	0	0	0	113.9	V197 I201 F202 F258	V197-L205 HydrophobicContact CG1-CD1 4.05Å; I201-L205 HydrophobicContact CG2-CD1 4.1Å; I201-L205 HydrophobicContact CG2-CG 4.4Å; I201-L205 WeakPolarHBondContact O-CG 3.5Å; I201-L205 PolarHBondContact O-N 3.2Å; F202-L205 PolarHBondContact O-N 3.48Å; L205-F258 HydrophobicContact CB-CD2 4.37Å; L205-F258 HydrophobicContact CB-CE2 3.8Å; L205-F258 HydrophobicContact CD1-CE2 3.41Å; L205-F258 VanDerWaalsContact CD1-CE2 3.41Å; L205-F258 HydrophobicContact CD1-CZ 3.7Å; L205-F258 HydrophobicContact CG-CE2 4.22Å
206	A	61	Low	72.8	Confident	20 Å²	20	60 Å²	60	17%	0.165	29%	0.288	C	S	.	.	S	Bend	trans	-157.8	154.3	177.7	0	0	0	0	0	112.6	R208	A206-R208 HydrophobicContact CB-CG 4.48Å; A206-R208 PolarHBondContact O-N 3.13Å; A206-R208 VanDerWaalsContact O-N 3.15Å
207	R	62.7	Low	72.6	Confident	250 Å²	250	60 Å²	60	94%	0.943	29%	0.288	S	S	*	.			trans	-65.9	113.3	165.9	-71.6	-175.5	-179.5	175.7	0.3	108.8
208	R	68.3	Low	72.5	Confident	26 Å²	26	59.3 Å²	59.3	10%	0.098	28%	0.283	C	S	.	.			trans	-120.1	157.4	177	-63.4	-63.7	-174.3	168.4	1.5	110.7	A206 E212 R213	A206-R208 HydrophobicContact CB-CG 4.48Å; A206-R208 PolarHBondContact O-N 3.13Å; A206-R208 VanDerWaalsContact O-N 3.15Å; R208-E212 WeakPolarHBondContact CA-OE2 3.21Å; R208-E212 HydrophobicContact CB-CB 4.27Å; R208-E212 IonicContact CZ-OE1 3.25Å; R208-E212 IonicContact NH1-OE1 2.72Å; R208-E212 PolarHBondContact NH1-OE1 2.93Å; R208-R213 HydrophobicContact CB-CG 4.08Å; R208-R213 PolarHBondContact O-NH1 2.92Å
209	T	68.2	Low	72.7	Confident	70 Å²	70	57.9 Å²	57.9	43%	0.429	28%	0.277	S	S	.	.			trans	-70.7	165.9	169.8	59.9	0	0	0	0	110.8	E211 E212 R213	T209-E211 WeakPolarHBondContact CB-OE2 3.36Å; T209-E212 PolarHBondContact N-OE2 3.27Å; T209-E212 WeakPolarHBondContact OG1-CB 3.45Å; T209-E212 WeakPolarHBondContact OG1-CG 3.31Å; T209-E212 PolarHBondContact OG1-N 3.34Å; T209-E212 PolarHBondContact OG1-OE2 2.9Å; T209-R213 WeakPolarHBondContact O-CG 3.49Å; T209-R213 PolarHBondContact O-N 3.46Å
210	K	63.4	Low	73	Confident	95 Å²	95	57.8 Å²	57.8	41%	0.413	28%	0.277	S	S	.	.	H	α-helix	trans	-66	-37.6	177.3	-178.5	179.5	171.3	175.7	0	110	R213 V214 Q370	K210-R213 VanDerWaalsContact CA-NH2 3.3Å; K210-R213 PolarHBondContact O-N 3.01Å; K210-V214 WeakPolarHBondContact O-CG2 3.47Å; K210-V214 PolarHBondContact O-N 3.4Å; K210-V214 VanDerWaalsContact O-N 3.15Å; K210-Q370 WeakPolarHBondContact CE-O 3.31Å; K210-Q370 PolarHBondContact NZ-O 3.49Å; K210-Q370 VanDerWaalsContact NZ-O 3.09Å
211	E	66.9	Low	73.6	Confident	57 Å²	57	56 Å²	56	27%	0.266	26%	0.264	S	S	.	.	H	α-helix	trans	-62.2	-52.9	179.6	-61.2	70.1	-153.4	0	0	110.4	T209 R213 V214 E215	T209-E211 WeakPolarHBondContact CB-OE2 3.36Å; E211-R213 VanDerWaalsContact C-N 3.26Å; E211-R213 PolarHBondContact O-N 3.2Å; E211-V214 PolarHBondContact O-N 2.97Å; E211-V214 VanDerWaalsContact O-N 3.13Å; E211-E215 WeakPolarHBondContact O-CG 3.21Å; E211-E215 PolarHBondContact O-N 2.93Å
212	E	70.4	Confident	74.2	Confident	51 Å²	51	52.4 Å²	52.4	24%	0.238	25%	0.246	C	C	.	.	H	α-helix	trans	-58.7	-34.9	178.3	-77.1	170.9	115	0	0	113.1	R208 T209 Y216 H252	R208-E212 WeakPolarHBondContact CA-OE2 3.21Å; R208-E212 HydrophobicContact CB-CB 4.27Å; R208-E212 IonicContact CZ-OE1 3.25Å; R208-E212 IonicContact NH1-OE1 2.72Å; R208-E212 PolarHBondContact NH1-OE1 2.93Å; T209-E212 PolarHBondContact N-OE2 3.27Å; T209-E212 WeakPolarHBondContact OG1-CB 3.45Å; T209-E212 WeakPolarHBondContact OG1-CG 3.31Å; T209-E212 PolarHBondContact OG1-N 3.34Å; T209-E212 PolarHBondContact OG1-OE2 2.9Å; E212-Y216 WeakPolarHBondContact O-CB 3.4Å; E212-Y216 PolarHBondContact O-N 3.47Å; E212-H252 PolarHBondContact O-CE1 2.88Å
213	R	70.1	Confident	75.1	Confident	57 Å²	57	52.8 Å²	52.8	22%	0.215	25%	0.247	C	C	.	.	H	α-helix	trans	-69.1	-42.6	178	-73.5	-174	-69.1	-98	1.2	111.9	E203 R208 T209 K210 E211 C217 L371	E203-R213 HydrophobicContact CG-CG 4.02Å; R208-R213 HydrophobicContact CB-CG 4.08Å; R208-R213 PolarHBondContact O-NH1 2.92Å; T209-R213 WeakPolarHBondContact O-CG 3.49Å; T209-R213 PolarHBondContact O-N 3.46Å; K210-R213 VanDerWaalsContact CA-NH2 3.3Å; K210-R213 PolarHBondContact O-N 3.01Å; E211-R213 VanDerWaalsContact C-N 3.26Å; E211-R213 PolarHBondContact O-N 3.2Å; R213-C217 VanDerWaalsContact O-CB 3.29Å; R213-C217 WeakPolarHBondContact O-CB 3.44Å; R213-C217 PolarHBondContact O-N 2.85Å; R213-L371 VanDerWaalsContact CZ-CD2 3.48Å
214	V	70	Confident	76.2	Confident	42 Å²	42	49.7 Å²	49.7	26%	0.255	23%	0.232	S	C	.	.	H	α-helix	trans	-66	-45.5	177.4	173.2	0	0	0	0	110.1	K210 E211 Y216 C217 I218 L315	K210-V214 WeakPolarHBondContact O-CG2 3.47Å; K210-V214 PolarHBondContact O-N 3.4Å; K210-V214 VanDerWaalsContact O-N 3.15Å; E211-V214 PolarHBondContact O-N 2.97Å; E211-V214 VanDerWaalsContact O-N 3.13Å; V214-Y216 PolarHBondContact O-N 3.33Å; V214-C217 WeakPolarHBondContact O-CB 3.45Å; V214-C217 PolarHBondContact O-N 3.34Å; V214-I218 HydrophobicContact CG1-CD1 3.99Å; V214-I218 WeakPolarHBondContact O-CG1 3.33Å; V214-I218 PolarHBondContact O-N 2.99Å; V214-L315 HydrophobicContact CG1-CD2 4.35Å
215	E	75.9	Confident	77.2	Confident	67 Å²	67	41.8 Å²	41.8	31%	0.313	19%	0.194	S	C	.	.	H	α-helix	trans	-58.5	-48.1	176.7	-71.8	170.5	-179.3	0	0	111.7	E211 C217 I218 C219	E211-E215 WeakPolarHBondContact O-CG 3.21Å; E211-E215 PolarHBondContact O-N 2.93Å; E215-C217 VanDerWaalsContact C-N 3.34Å; E215-C217 PolarHBondContact O-N 2.85Å; E215-I218 PolarHBondContact O-N 3.32Å; E215-C219 PolarHBondContact O-N 3.38Å; E215-C219 PolarHBondContact O-SG 2.97Å
216	Y	82.8	Confident	78.3	Confident	7 Å²	7	38.4 Å²	38.4	3%	0.027	17%	0.174	C	C	.	.	H	α-helix	trans	-62.3	-42.1	176.6	-179.5	-103.1	0	0	0	112.2	V197 P199 F202 E212 V214 I218 C219 Y220 H252	V197-Y216 PolarHBondContact N-OH 3.09Å; V197-Y216 VanDerWaalsContact N-OH 3.16Å; V197-Y216 VanDerWaalsContact O-CE1 3.31Å; V197-Y216 WeakPolarHBondContact O-CE1 3.4Å; V197-Y216 PolarHBondContact O-OH 3.21Å; P199-Y216 HydrophobicContact CG-CD1 4.5Å; P199-Y216 HydrophobicContact CG-CE1 4.34Å; F202-Y216 HydrophobicContact CB-CD1 3.89Å; F202-Y216 HydrophobicContact CB-CE1 3.46Å; F202-Y216 VanDerWaalsContact CB-CE1 3.46Å; F202-Y216 AromaticContact CD1-CD1 3.28Å; F202-Y216 HydrophobicContact CD1-CD1 3.28Å; F202-Y216 HydrophobicContact CD1-CD2 4.29Å; F202-Y216 AromaticContact CD1-CE1 3.72Å; F202-Y216 HydrophobicContact CD1-CE1 3.72Å; F202-Y216 AromaticContact CD1-CG 3.59Å; F202-Y216 HydrophobicContact CD1-CG 3.59Å; F202-Y216 HydrophobicContact CD2-CD1 4.02Å; F202-Y216 HydrophobicContact CD2-CD2 4.21Å; F202-Y216 AromaticContact CD2-CE1 3.67Å; F202-Y216 HydrophobicContact CD2-CE1 3.67Å; F202-Y216 AromaticContact CD2-CE2 3.84Å; F202-Y216 HydrophobicContact CD2-CE2 3.84Å; F202-Y216 HydrophobicContact CD2-CG 4.26Å; F202-Y216 AromaticContact CD2-CZ 3.54Å; F202-Y216 AromaticContact CE1-CD1 3.7Å; F202-Y216 HydrophobicContact CE1-CD1 3.7Å; F202-Y216 AromaticContact CE1-CD2 3.95Å; F202-Y216 HydrophobicContact CE1-CD2 3.95Å; F202-Y216 HydrophobicContact CE1-CE1 4.35Å; F202-Y216 AromaticContact CE1-CG 3.45Å; F202-Y216 HydrophobicContact CE1-CG 3.45Å; F202-Y216 VanDerWaalsContact CE1-CG 3.45Å; F202-Y216 HydrophobicContact CE2-CD1 4.37Å; F202-Y216 AromaticContact CE2-CD2 3.86Å; F202-Y216 HydrophobicContact CE2-CD2 3.86Å; F202-Y216 HydrophobicContact CE2-CE1 4.3Å; F202-Y216 AromaticContact CE2-CE2 3.75Å; F202-Y216 HydrophobicContact CE2-CE2 3.75Å; F202-Y216 HydrophobicContact CE2-CG 4.14Å; F202-Y216 AromaticContact CE2-CZ 3.97Å; F202-Y216 AromaticContact CG-CD1 3.45Å; F202-Y216 HydrophobicContact CG-CD1 3.45Å; F202-Y216 VanDerWaalsContact CG-CD1 3.45Å; F202-Y216 HydrophobicContact CG-CD2 4.4Å; F202-Y216 AromaticContact CG-CE1 3.33Å; F202-Y216 HydrophobicContact CG-CE1 3.33Å; F202-Y216 HydrophobicContact CG-CE2 4.29Å; F202-Y216 AromaticContact CG-CG 3.99Å; F202-Y216 HydrophobicContact CG-CG 3.99Å; F202-Y216 AromaticContact CG-CZ 3.75Å; F202-Y216 HydrophobicContact CZ-CD1 4.22Å; F202-Y216 AromaticContact CZ-CD2 3.72Å; F202-Y216 HydrophobicContact CZ-CD2 3.72Å; F202-Y216 HydrophobicContact CZ-CE2 4.11Å; F202-Y216 AromaticContact CZ-CG 3.74Å; F202-Y216 HydrophobicContact CZ-CG 3.74Å; E212-Y216 WeakPolarHBondContact O-CB 3.4Å; E212-Y216 PolarHBondContact O-N 3.47Å; V214-Y216 PolarHBondContact O-N 3.33Å; Y216-I218 VanDerWaalsContact C-N 3.32Å; Y216-I218 PolarHBondContact O-N 3.31Å; Y216-C219 WeakPolarHBondContact O-CB 3.2Å; Y216-C219 PolarHBondContact O-N 2.63Å; Y216-Y220 HydrophobicContact CE1-CD2 4.43Å; Y216-Y220 WeakPolarHBondContact O-CB 3.45Å; Y216-Y220 PolarHBondContact O-N 2.99Å; Y216-H252 HydrophobicContact CD2-CB 3.57Å; Y216-H252 AromaticContact CD2-CG 3.77Å; Y216-H252 HydrophobicContact CE2-CB 4.14Å; Y216-H252 PolarHBondContact N-NE2 3.46Å
217	C	82	Confident	79.8	Confident	6 Å²	6	37.9 Å²	37.9	4%	0.041	17%	0.17	C	C	.	.	H	α-helix	trans	-59.5	-44.2	177.6	-177.4	0	0	0	0	111.7	R213 V214 E215 C219 Y220 D221 R373	R213-C217 VanDerWaalsContact O-CB 3.29Å; R213-C217 WeakPolarHBondContact O-CB 3.44Å; R213-C217 PolarHBondContact O-N 2.85Å; V214-C217 WeakPolarHBondContact O-CB 3.45Å; V214-C217 PolarHBondContact O-N 3.34Å; E215-C217 VanDerWaalsContact C-N 3.34Å; E215-C217 PolarHBondContact O-N 2.85Å; C217-C219 VanDerWaalsContact C-N 3.32Å; C217-C219 PolarHBondContact O-N 2.95Å; C217-Y220 PolarHBondContact O-N 3.33Å; C217-D221 WeakPolarHBondContact O-CB 3.44Å; C217-D221 PolarHBondContact O-N 2.96Å; C217-R373 PolarHBondContact SG-NE 2.97Å; C217-R373 PolarHBondContact SG-NH1 2.71Å; C217-R373 PolarHBondContact SG-NH2 3.46Å
218	I	82.4	Confident	81.2	Confident	12 Å²	12	28.2 Å²	28.2	6%	0.062	13%	0.134	C	C	.	.	H	α-helix	trans	-62.8	-42.7	177.2	-67.9	169.9	0	0	0	110.2	L146 V214 E215 Y216 D221 R222 L307 L311	L146-I218 HydrophobicContact CD2-CG1 4.37Å; L146-I218 HydrophobicContact CD2-CG2 4.37Å; V214-I218 HydrophobicContact CG1-CD1 3.99Å; V214-I218 WeakPolarHBondContact O-CG1 3.33Å; V214-I218 PolarHBondContact O-N 2.99Å; E215-I218 PolarHBondContact O-N 3.32Å; Y216-I218 VanDerWaalsContact C-N 3.32Å; Y216-I218 PolarHBondContact O-N 3.31Å; I218-D221 PolarHBondContact O-N 3.43Å; I218-R222 WeakPolarHBondContact O-CB 3.38Å; I218-R222 WeakPolarHBondContact O-CD 3.23Å; I218-R222 VanDerWaalsContact O-CG 3.24Å; I218-R222 WeakPolarHBondContact O-CG 3.27Å; I218-R222 PolarHBondContact O-N 3.34Å; I218-L307 HydrophobicContact CD1-CD1 3.83Å; I218-L307 HydrophobicContact CD1-CD2 4.08Å; I218-L307 HydrophobicContact CD1-CG 4.23Å; I218-L307 HydrophobicContact CG2-CD1 4.29Å; I218-L311 HydrophobicContact CD1-CD1 4.19Å
219	C	86.6	Confident	82.3	Confident	2 Å²	2	27 Å²	27	1%	0.014	13%	0.129	C	C	.	.	H	α-helix	trans	-61.7	-43.7	174.8	-66.8	0	0	0	0	111.9	E215 Y216 C217 R222 W223 F245 L249	E215-C219 PolarHBondContact O-N 3.38Å; E215-C219 PolarHBondContact O-SG 2.97Å; Y216-C219 WeakPolarHBondContact O-CB 3.2Å; Y216-C219 PolarHBondContact O-N 2.63Å; C217-C219 VanDerWaalsContact C-N 3.32Å; C217-C219 PolarHBondContact O-N 2.95Å; C219-R222 PolarHBondContact O-N 3.1Å; C219-W223 WeakPolarHBondContact O-CB 3.32Å; C219-W223 PolarHBondContact O-N 3.14Å; C219-F245 HydrophobicContact CB-CE1 4.35Å; C219-F245 WeakPolarHBondContact O-CZ 3.39Å; C219-L249 HydrophobicContact CB-CD1 4.19Å
220	Y	89.7	Confident	83.3	Confident	0 Å²	0	24.3 Å²	24.3	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-62.8	-46.8	178	-177.4	-85	0	0	0	111.3	H118 D119 L122 L196 V197 Q198 P199 Y216 C217 R222 W223 F224	H118-Y220 AromaticContact CD2-CD1 3.71Å; H118-Y220 AromaticContact CD2-CE1 3.4Å; H118-Y220 WeakPolarHBondContact CD2-CE1 3.19Å; H118-Y220 AromaticContact NE2-CD1 3.29Å; H118-Y220 VanDerWaalsContact NE2-CD1 3.29Å; H118-Y220 WeakPolarHBondContact NE2-CD1 3.36Å; H118-Y220 AromaticContact NE2-CE1 3.5Å; D119-Y220 VanDerWaalsContact CG-OH 3.32Å; D119-Y220 VanDerWaalsContact OD1-CE1 3.31Å; D119-Y220 WeakPolarHBondContact OD1-CE1 3.28Å; D119-Y220 PolarHBondContact OD1-OH 3.44Å; D119-Y220 PolarHBondContact OD2-OH 3.24Å; L122-Y220 HydrophobicContact CD1-CD1 4.46Å; L122-Y220 HydrophobicContact CD1-CE1 4.23Å; L196-Y220 HydrophobicContact CB-CD2 3.78Å; L196-Y220 HydrophobicContact CB-CE2 4.03Å; L196-Y220 HydrophobicContact CD1-CD2 4.48Å; V197-Y220 WeakPolarHBondContact O-CD2 3.47Å; V197-Y220 WeakPolarHBondContact O-CE2 3.17Å; Q198-Y220 HydrophobicContact CG-CE2 4.4Å; Q198-Y220 VanDerWaalsContact CG-OH 3.24Å; Q198-Y220 WeakPolarHBondContact CG-OH 3.48Å; P199-Y220 HydrophobicContact CG-CD1 3.72Å; P199-Y220 HydrophobicContact CG-CD2 4.24Å; P199-Y220 HydrophobicContact CG-CE1 4.33Å; P199-Y220 HydrophobicContact CG-CG 3.66Å; Y216-Y220 HydrophobicContact CE1-CD2 4.43Å; Y216-Y220 WeakPolarHBondContact O-CB 3.45Å; Y216-Y220 PolarHBondContact O-N 2.99Å; C217-Y220 PolarHBondContact O-N 3.33Å; Y220-R222 PolarHBondContact O-N 2.78Å; Y220-W223 HydrophobicContact CD2-CE3 4.07Å; Y220-W223 HydrophobicContact CD2-CZ3 4.23Å; Y220-W223 AromaticContact CE2-CE3 3.93Å; Y220-W223 HydrophobicContact CE2-CE3 3.93Å; Y220-W223 AromaticContact CE2-CZ3 3.62Å; Y220-W223 HydrophobicContact CE2-CZ3 3.62Å; Y220-W223 AromaticContact CZ-CZ3 3.87Å; Y220-W223 PolarHBondContact O-N 3.36Å; Y220-F224 HydrophobicContact CD1-CB 4.47Å; Y220-F224 HydrophobicContact CE1-CB 4.24Å; Y220-F224 AromaticContact CE1-CD2 3.99Å; Y220-F224 HydrophobicContact CE1-CD2 3.99Å; Y220-F224 HydrophobicContact CE1-CG 4.43Å; Y220-F224 VanDerWaalsContact O-CB 3.24Å; Y220-F224 WeakPolarHBondContact O-CB 3.33Å; Y220-F224 PolarHBondContact O-N 3.39Å
221	D	88.4	Confident	84.5	Confident	10 Å²	10	22.5 Å²	22.5	5%	0.053	11%	0.112	C	C	.	.	H	α-helix	trans	-63.8	-42.5	-179.9	-69	-5.8	0	0	0	111.4	H118 L122 L146 C217 I218 F224 I225 L377	H118-D221 IonicContact CD2-OD1 3.8Å; H118-D221 IonicContact CE1-OD1 2.72Å; H118-D221 PolarHBondContact CE1-OD1 3.39Å; H118-D221 IonicContact NE2-OD1 3.03Å; H118-D221 PolarHBondContact NE2-OD1 2.88Å; L122-D221 HydrophobicContact CD2-CB 4.2Å; L146-D221 HydrophobicContact CD1-CB 3.35Å; C217-D221 WeakPolarHBondContact O-CB 3.44Å; C217-D221 PolarHBondContact O-N 2.96Å; I218-D221 PolarHBondContact O-N 3.43Å; D221-F224 PolarHBondContact O-N 3.34Å; D221-I225 WeakPolarHBondContact O-CB 3.38Å; D221-I225 VanDerWaalsContact O-CG1 3.24Å; D221-I225 WeakPolarHBondContact O-CG1 3.21Å; D221-I225 PolarHBondContact O-N 2.7Å; D221-L377 HydrophobicContact CB-CD1 4.22Å
222	R	90.1	Very high	85.4	Confident	5 Å²	5	22.8 Å²	22.8	2%	0.019	12%	0.115	C	C	.	.	H	α-helix	trans	-59.2	-48.1	172	-74.9	168.5	172.7	171.3	-2.6	111	L146 F151 I218 C219 Y220 F224 I225 Y226 F245 G306	L146-R222 HydrophobicContact CB-CG 4.14Å; L146-R222 VanDerWaalsContact O-CZ 3.26Å; L146-R222 PolarHBondContact O-NE 2.96Å; L146-R222 PolarHBondContact O-NH2 3.19Å; F151-R222 HydrophobicContact CD1-CG 4.16Å; F151-R222 HydrophobicContact CD2-CB 4.19Å; F151-R222 HydrophobicContact CD2-CG 4.36Å; F151-R222 HydrophobicContact CE1-CB 4.36Å; F151-R222 HydrophobicContact CE1-CG 3.82Å; F151-R222 HydrophobicContact CE2-CB 3.69Å; F151-R222 HydrophobicContact CE2-CG 4.04Å; F151-R222 HydrophobicContact CG-CG 4.43Å; F151-R222 HydrophobicContact CZ-CB 3.8Å; F151-R222 HydrophobicContact CZ-CG 3.77Å; I218-R222 WeakPolarHBondContact O-CB 3.38Å; I218-R222 WeakPolarHBondContact O-CD 3.23Å; I218-R222 VanDerWaalsContact O-CG 3.24Å; I218-R222 WeakPolarHBondContact O-CG 3.27Å; I218-R222 PolarHBondContact O-N 3.34Å; C219-R222 PolarHBondContact O-N 3.1Å; Y220-R222 PolarHBondContact O-N 2.78Å; R222-F224 VanDerWaalsContact C-N 3.32Å; R222-F224 PolarHBondContact O-N 2.79Å; R222-I225 PolarHBondContact O-N 3.48Å; R222-Y226 WeakPolarHBondContact O-CB 3.26Å; R222-Y226 VanDerWaalsContact O-CD2 3.27Å; R222-Y226 WeakPolarHBondContact O-CD2 3.16Å; R222-Y226 PolarHBondContact O-N 3.06Å; R222-F245 HydrophobicContact CB-CE1 3.91Å; R222-F245 HydrophobicContact CB-CZ 3.66Å; R222-G306 PolarHBondContact NH2-O 2.93Å
223	W	92.6	Very high	86.1	Confident	11 Å²	11	20.5 Å²	20.5	4%	0.042	11%	0.105	C	C	.	.	H	α-helix	trans	-64.4	-42	-179.9	165	85.9	0	0	0	110.7	R195 L196 C219 Y220 I225 C227 Y228 F245	R195-W223 HydrophobicContact CB-CZ2 4.46Å; R195-W223 HydrophobicContact CG-CH2 3.66Å; R195-W223 HydrophobicContact CG-CZ2 4.02Å; L196-W223 HydrophobicContact CB-CD2 3.99Å; L196-W223 HydrophobicContact CB-CE3 3.86Å; L196-W223 HydrophobicContact CB-CH2 4.36Å; L196-W223 HydrophobicContact CB-CZ2 4.46Å; L196-W223 HydrophobicContact CB-CZ3 4.04Å; L196-W223 HydrophobicContact CD1-CB 3.58Å; L196-W223 HydrophobicContact CD1-CD2 3.65Å; L196-W223 HydrophobicContact CD1-CE3 4Å; L196-W223 HydrophobicContact CD1-CG 3.44Å; L196-W223 VanDerWaalsContact CD1-CG 3.44Å; L196-W223 HydrophobicContact CG-CD2 3.69Å; L196-W223 HydrophobicContact CG-CE3 4.07Å; L196-W223 HydrophobicContact CG-CG 3.87Å; C219-W223 WeakPolarHBondContact O-CB 3.32Å; C219-W223 PolarHBondContact O-N 3.14Å; Y220-W223 HydrophobicContact CD2-CE3 4.07Å; Y220-W223 HydrophobicContact CD2-CZ3 4.23Å; Y220-W223 AromaticContact CE2-CE3 3.93Å; Y220-W223 HydrophobicContact CE2-CE3 3.93Å; Y220-W223 AromaticContact CE2-CZ3 3.62Å; Y220-W223 HydrophobicContact CE2-CZ3 3.62Å; Y220-W223 AromaticContact CZ-CZ3 3.87Å; Y220-W223 PolarHBondContact O-N 3.36Å; W223-I225 PolarHBondContact O-N 2.99Å; W223-C227 HydrophobicContact CG-CB 4.35Å; W223-C227 WeakPolarHBondContact O-CA 3.35Å; W223-C227 WeakPolarHBondContact O-CB 3.24Å; W223-C227 PolarHBondContact O-N 2.95Å; W223-Y228 HydrophobicContact CH2-CD2 4.14Å; W223-Y228 HydrophobicContact CH2-CG 4.11Å; W223-Y228 HydrophobicContact CZ2-CD2 4.39Å; W223-Y228 PolarHBondContact O-N 2.74Å; W223-F245 HydrophobicContact CB-CE2 3.84Å; W223-F245 HydrophobicContact CB-CZ 3.8Å
224	F	91.8	Very high	86.7	Confident	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.124	C	C	.	.	I	π-helix	trans	-61	-47.6	179.3	-171	-86.1	0	0	0	110.6	D119 L122 Y123 Y220 D221 R222 Y228 V229	D119-F224 HydrophobicContact CB-CE2 3.83Å; D119-F224 HydrophobicContact CB-CZ 3.99Å; D119-F224 VanDerWaalsContact CG-CE2 3.46Å; L122-F224 HydrophobicContact CB-CD1 3.78Å; L122-F224 HydrophobicContact CB-CE1 3.64Å; L122-F224 HydrophobicContact CB-CZ 4.37Å; L122-F224 HydrophobicContact CD1-CB 3.71Å; L122-F224 HydrophobicContact CD1-CD1 3.45Å; L122-F224 VanDerWaalsContact CD1-CD1 3.45Å; L122-F224 HydrophobicContact CD1-CD2 4.1Å; L122-F224 HydrophobicContact CD1-CE1 4.02Å; L122-F224 HydrophobicContact CD1-CG 3.48Å; L122-F224 VanDerWaalsContact CD1-CG 3.48Å; L122-F224 HydrophobicContact CG-CD1 4.26Å; Y123-F224 HydrophobicContact CD1-CE1 4.21Å; Y123-F224 HydrophobicContact CD1-CZ 4.22Å; Y123-F224 HydrophobicContact CD2-CZ 4.19Å; Y123-F224 HydrophobicContact CE1-CE1 4.07Å; Y123-F224 AromaticContact CE1-CZ 3.79Å; Y123-F224 HydrophobicContact CE1-CZ 3.79Å; Y123-F224 AromaticContact CE2-CZ 3.77Å; Y123-F224 HydrophobicContact CE2-CZ 3.77Å; Y123-F224 HydrophobicContact CG-CZ 4.39Å; Y123-F224 AromaticContact CZ-CZ 3.55Å; Y220-F224 HydrophobicContact CD1-CB 4.47Å; Y220-F224 HydrophobicContact CE1-CB 4.24Å; Y220-F224 AromaticContact CE1-CD2 3.99Å; Y220-F224 HydrophobicContact CE1-CD2 3.99Å; Y220-F224 HydrophobicContact CE1-CG 4.43Å; Y220-F224 VanDerWaalsContact O-CB 3.24Å; Y220-F224 WeakPolarHBondContact O-CB 3.33Å; Y220-F224 PolarHBondContact O-N 3.39Å; D221-F224 PolarHBondContact O-N 3.34Å; R222-F224 VanDerWaalsContact C-N 3.32Å; R222-F224 PolarHBondContact O-N 2.79Å; F224-Y228 AromaticContact CD2-CD1 3.71Å; F224-Y228 HydrophobicContact CD2-CD1 3.71Å; F224-Y228 HydrophobicContact CD2-CE1 4.35Å; F224-Y228 HydrophobicContact CD2-CG 4.46Å; F224-Y228 AromaticContact CE2-CD1 3.52Å; F224-Y228 HydrophobicContact CE2-CD1 3.52Å; F224-Y228 AromaticContact CE2-CE1 3.75Å; F224-Y228 HydrophobicContact CE2-CE1 3.75Å; F224-Y228 HydrophobicContact CG-CD1 4.32Å; F224-Y228 HydrophobicContact CZ-CD1 4Å; F224-Y228 HydrophobicContact CZ-CE1 4.17Å; F224-Y228 WeakPolarHBondContact O-CB 3.29Å; F224-Y228 PolarHBondContact O-N 2.94Å; F224-V229 HydrophobicContact CD1-CG2 3.66Å; F224-V229 HydrophobicContact CE1-CG2 3.52Å; F224-V229 HydrophobicContact CZ-CG2 4.38Å; F224-V229 WeakPolarHBondContact O-CB 3.35Å; F224-V229 VanDerWaalsContact O-CG2 3.28Å; F224-V229 WeakPolarHBondContact O-CG2 3.25Å; F224-V229 PolarHBondContact O-N 3.38Å
225	I	89.8	Confident	87.5	Confident	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.117	C	C	.	.	I	π-helix	trans	-73.5	-41.1	-176.5	-68.3	169.2	0	0	0	112.8	F125 L126 L142 D221 R222 W223 P230 L377	F125-I225 HydrophobicContact CE1-CD1 4.46Å; L126-I225 HydrophobicContact CD1-CG1 4.49Å; L126-I225 HydrophobicContact CD2-CG2 4.39Å; L142-I225 HydrophobicContact CD2-CG2 3.51Å; D221-I225 WeakPolarHBondContact O-CB 3.38Å; D221-I225 VanDerWaalsContact O-CG1 3.24Å; D221-I225 WeakPolarHBondContact O-CG1 3.21Å; D221-I225 PolarHBondContact O-N 2.7Å; R222-I225 PolarHBondContact O-N 3.48Å; W223-I225 PolarHBondContact O-N 2.99Å; I225-P230 WeakPolarHBondContact O-CD 3.44Å; I225-L377 HydrophobicContact CD1-CD1 4.47Å
226	Y	91.2	Very high	88.1	Confident	18 Å²	18	20.9 Å²	20.9	7%	0.071	11%	0.108	C	C	.	.	I	π-helix	trans	-102.2	-16.2	-170.9	-65.7	-79.7	0	0	0	114.8	L142 N144 G147 L148 P149 F151 R222 H239	L142-Y226 HydrophobicContact CD2-CE1 4.06Å; N144-Y226 VanDerWaalsContact CB-OH 3.3Å; N144-Y226 WeakPolarHBondContact CB-OH 3.43Å; N144-Y226 WeakPolarHBondContact ND2-CE2 3.36Å; N144-Y226 PolarHBondContact ND2-OH 3.34Å; G147-Y226 PolarHBondContact O-OH 3.02Å; L148-Y226 WeakPolarHBondContact CD2-OH 3.46Å; P149-Y226 HydrophobicContact CG-CD1 3.86Å; P149-Y226 HydrophobicContact CG-CE1 4.03Å; P149-Y226 HydrophobicContact CG-CG 4.3Å; F151-Y226 HydrophobicContact CE1-CD2 4.41Å; F151-Y226 HydrophobicContact CE1-CE2 4.15Å; F151-Y226 HydrophobicContact CE2-CD2 4.21Å; F151-Y226 AromaticContact CZ-CD2 3.45Å; F151-Y226 HydrophobicContact CZ-CD2 3.45Å; F151-Y226 VanDerWaalsContact CZ-CD2 3.45Å; F151-Y226 AromaticContact CZ-CE2 3.62Å; F151-Y226 HydrophobicContact CZ-CE2 3.62Å; F151-Y226 HydrophobicContact CZ-CG 4.18Å; R222-Y226 WeakPolarHBondContact O-CB 3.26Å; R222-Y226 VanDerWaalsContact O-CD2 3.27Å; R222-Y226 WeakPolarHBondContact O-CD2 3.16Å; R222-Y226 PolarHBondContact O-N 3.06Å; Y226-H239 PolarHBondContact O-N 2.75Å
227	C	92	Very high	88.4	Confident	10 Å²	10	28.1 Å²	28.1	7%	0.068	14%	0.14	C	C	.	.	I	π-helix	trans	-115.3	-50.5	179.2	-54.7	0	0	0	0	111.6	W223 H239 P241 I244	W223-C227 HydrophobicContact CG-CB 4.35Å; W223-C227 WeakPolarHBondContact O-CA 3.35Å; W223-C227 WeakPolarHBondContact O-CB 3.24Å; W223-C227 PolarHBondContact O-N 2.95Å; C227-H239 PolarHBondContact SG-O 3.01Å; C227-P241 HydrophobicContact CB-CG 4.11Å; C227-I244 WeakPolarHBondContact SG-CD1 3.29Å
228	Y	92.5	Very high	88.8	Confident	47 Å²	47	33.4 Å²	33.4	18%	0.184	17%	0.166	C	C	.	.	I	π-helix	trans	-79.2	-52.3	-174.3	-178	-109.2	0	0	0	113.4	Y123 W223 F224 S231 L232	Y123-Y228 WeakPolarHBondContact OH-CE1 3.19Å; W223-Y228 HydrophobicContact CH2-CD2 4.14Å; W223-Y228 HydrophobicContact CH2-CG 4.11Å; W223-Y228 HydrophobicContact CZ2-CD2 4.39Å; W223-Y228 PolarHBondContact O-N 2.74Å; F224-Y228 AromaticContact CD2-CD1 3.71Å; F224-Y228 HydrophobicContact CD2-CD1 3.71Å; F224-Y228 HydrophobicContact CD2-CE1 4.35Å; F224-Y228 HydrophobicContact CD2-CG 4.46Å; F224-Y228 AromaticContact CE2-CD1 3.52Å; F224-Y228 HydrophobicContact CE2-CD1 3.52Å; F224-Y228 AromaticContact CE2-CE1 3.75Å; F224-Y228 HydrophobicContact CE2-CE1 3.75Å; F224-Y228 HydrophobicContact CG-CD1 4.32Å; F224-Y228 HydrophobicContact CZ-CD1 4Å; F224-Y228 HydrophobicContact CZ-CE1 4.17Å; F224-Y228 WeakPolarHBondContact O-CB 3.29Å; F224-Y228 PolarHBondContact O-N 2.94Å; Y228-S231 VanDerWaalsContact O-CB 3.29Å; Y228-S231 WeakPolarHBondContact O-CB 3.26Å; Y228-S231 PolarHBondContact O-N 2.84Å; Y228-S231 PolarHBondContact O-OG 3.31Å; Y228-L232 HydrophobicContact CD1-CD1 4.3Å; Y228-L232 HydrophobicContact CE1-CD1 3.8Å
229	V	90.9	Very high	89.2	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-56.9	-43.4	-178.1	158.2	0	0	0	0	113.6	F107 Y123 L126 F224 S231 L232 C233 F236	F107-V229 HydrophobicContact CE1-CG1 3.75Å; F107-V229 HydrophobicContact CZ-CG1 3.57Å; Y123-V229 HydrophobicContact CE1-CG2 4.43Å; L126-V229 HydrophobicContact CD1-CB 4.28Å; L126-V229 HydrophobicContact CD1-CG1 3.91Å; L126-V229 HydrophobicContact CD1-CG2 3.63Å; F224-V229 HydrophobicContact CD1-CG2 3.66Å; F224-V229 HydrophobicContact CE1-CG2 3.52Å; F224-V229 HydrophobicContact CZ-CG2 4.38Å; F224-V229 WeakPolarHBondContact O-CB 3.35Å; F224-V229 VanDerWaalsContact O-CG2 3.28Å; F224-V229 WeakPolarHBondContact O-CG2 3.25Å; F224-V229 PolarHBondContact O-N 3.38Å; V229-S231 PolarHBondContact O-N 3.43Å; V229-S231 VanDerWaalsContact O-N 3.1Å; V229-L232 WeakPolarHBondContact O-CA 3.11Å; V229-L232 WeakPolarHBondContact O-CB 3.27Å; V229-L232 PolarHBondContact O-N 3.48Å; V229-C233 PolarHBondContact O-N 3.49Å; V229-C233 VanDerWaalsContact O-N 3.17Å; V229-F236 HydrophobicContact CG1-CD2 3.71Å; V229-F236 HydrophobicContact CG1-CE2 4.17Å; V229-F236 HydrophobicContact CG1-CG 4.37Å
230	P	90.6	Very high	89.5	Confident	13 Å²	13	40.2 Å²	40.2	8%	0.084	19%	0.192	C	C	.	.	H	α-helix	trans	-59.3	-20.3	174.9	-27.2	36.5	0	0	0	114.3	I225 L232 C233 F236 K237 M238	I225-P230 WeakPolarHBondContact O-CD 3.44Å; P230-L232 VanDerWaalsContact C-N 3.31Å; P230-C233 CarbonylContact C-O 3.56Å; P230-C233 WeakPolarHBondContact CA-O 3.36Å; P230-C233 VanDerWaalsContact O-O 3.08Å; P230-F236 HydrophobicContact CB-CB 4.4Å; P230-F236 HydrophobicContact CG-CB 3.87Å; P230-K237 WeakPolarHBondContact CG-O 3.31Å; P230-M238 HydrophobicContact CB-CB 3.66Å; P230-M238 HydrophobicContact CB-CG 4.08Å
231	S	87.1	Confident	89.7	Confident	58 Å²	58	40.5 Å²	40.5	41%	0.406	19%	0.194	S	C	.	.	H	α-helix	trans	-76.2	-19.3	173.2	79.5	0	0	0	0	113.1	Y228 V229	Y228-S231 VanDerWaalsContact O-CB 3.29Å; Y228-S231 WeakPolarHBondContact O-CB 3.26Å; Y228-S231 PolarHBondContact O-N 2.84Å; Y228-S231 PolarHBondContact O-OG 3.31Å; V229-S231 PolarHBondContact O-N 3.43Å; V229-S231 VanDerWaalsContact O-N 3.1Å
232	L	86.6	Confident	89.9	Confident	63 Å²	63	40 Å²	40	33%	0.33	19%	0.191	S	C	.	.	H	α-helix	trans	-92.2	-36.5	178.1	-60.2	172	0	0	0	112.3	Q106 Y123 Y228 V229 P230	Q106-L232 PolarHBondContact NE2-O 2.84Å; Q106-L232 VanDerWaalsContact NE2-O 3.15Å; Y123-L232 HydrophobicContact CE1-CD1 3.72Å; Y123-L232 WeakPolarHBondContact OH-CD1 3.37Å; Y228-L232 HydrophobicContact CD1-CD1 4.3Å; Y228-L232 HydrophobicContact CE1-CD1 3.8Å; V229-L232 WeakPolarHBondContact O-CA 3.11Å; V229-L232 WeakPolarHBondContact O-CB 3.27Å; V229-L232 PolarHBondContact O-N 3.48Å; P230-L232 VanDerWaalsContact C-N 3.31Å
233	C	86.1	Confident	90.1	Very high	2 Å²	2	43.6 Å²	43.6	1%	0.014	21%	0.21	C	C	.	.			trans	-136.7	135	-179.2	67.2	0	0	0	0	111.3	A103 F107 V229 P230 Y235	A103-C233 HydrophobicContact CB-CB 4Å; F107-C233 VanDerWaalsContact CZ-SG 3.57Å; V229-C233 PolarHBondContact O-N 3.49Å; V229-C233 VanDerWaalsContact O-N 3.17Å; P230-C233 CarbonylContact C-O 3.56Å; P230-C233 WeakPolarHBondContact CA-O 3.36Å; P230-C233 VanDerWaalsContact O-O 3.08Å; C233-Y235 PolarHBondContact O-N 2.9Å; C233-Y235 VanDerWaalsContact O-N 3.08Å
234	N	81.4	Confident	90	Very high	115 Å²	115	43.2 Å²	43.2	62%	0.615	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.2	15.1	-178.8	64.7	-14.7	0	0	0	113.8
235	Y	88.1	Confident	90.1	Very high	32 Å²	32	43.3 Å²	43.3	13%	0.125	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-39.6	-179.7	-171.2	-107.4	0	0	0	112.5	K99 C100 A103 L130 H140 C233	K99-Y235 HydrophobicContact CB-CD2 3.75Å; K99-Y235 HydrophobicContact CB-CE2 4.3Å; C100-Y235 HydrophobicContact CB-CD2 4.33Å; C100-Y235 HydrophobicContact CB-CE1 4.41Å; C100-Y235 HydrophobicContact CB-CE2 3.73Å; A103-Y235 HydrophobicContact CB-CG 4.31Å; L130-Y235 HydrophobicContact CD2-CD1 3.73Å; L130-Y235 HydrophobicContact CD2-CE1 3.37Å; H140-Y235 HydrophobicContact CB-CE1 3.94Å; H140-Y235 VanDerWaalsContact CB-OH 3.29Å; H140-Y235 WeakPolarHBondContact CB-OH 3.34Å; H140-Y235 PolarHBondContact N-OH 2.95Å; C233-Y235 PolarHBondContact O-N 2.9Å; C233-Y235 VanDerWaalsContact O-N 3.08Å
236	F	88.2	Confident	90.1	Very high	27 Å²	27	43.3 Å²	43.3	12%	0.118	21%	0.209	C	C	.	.	S	Bend	trans	-90.2	145.3	-179.8	-64.1	-81.3	0	0	0	110.6	F107 L126 L130 L142 V229 P230 M238	F107-F236 AromaticContact CE2-CE2 3.75Å; F107-F236 HydrophobicContact CE2-CE2 3.75Å; F107-F236 HydrophobicContact CE2-CZ 4.38Å; F107-F236 HydrophobicContact CZ-CD2 4.16Å; F107-F236 AromaticContact CZ-CE2 3.55Å; F107-F236 HydrophobicContact CZ-CE2 3.55Å; L126-F236 HydrophobicContact CD2-CE1 4.46Å; L126-F236 HydrophobicContact CD2-CZ 4.14Å; L130-F236 HydrophobicContact CD1-CE2 4.18Å; L130-F236 HydrophobicContact CD1-CZ 4.14Å; L130-F236 HydrophobicContact CD2-CZ 3.86Å; L130-F236 HydrophobicContact CG-CZ 4.16Å; L142-F236 HydrophobicContact CD1-CE1 4.47Å; V229-F236 HydrophobicContact CG1-CD2 3.71Å; V229-F236 HydrophobicContact CG1-CE2 4.17Å; V229-F236 HydrophobicContact CG1-CG 4.37Å; P230-F236 HydrophobicContact CB-CB 4.4Å; P230-F236 HydrophobicContact CG-CB 3.87Å; F236-M238 PolarHBondContact O-N 3.31Å
237	K	88	Confident	89.9	Confident	160 Å²	160	43.4 Å²	43.4	70%	0.696	21%	0.213	S	C	*	.	P	Polyproline II helix	trans	-66.6	123.4	174.7	-177.1	175.9	177.1	178.7	0	109.6	P230 H239	P230-K237 WeakPolarHBondContact CG-O 3.31Å; K237-H239 PolarHBondContact O-CD2 3.43Å; K237-H239 VanDerWaalsContact O-CD2 3.3Å
238	M	90.2	Very high	89.5	Confident	117 Å²	117	46.8 Å²	46.8	58%	0.576	23%	0.227	S	C	*	.	P	Polyproline II helix	trans	-75.3	126.5	175.2	-171.5	177.7	177.1	0	0	110.6	P230 F236	P230-M238 HydrophobicContact CB-CB 3.66Å; P230-M238 HydrophobicContact CB-CG 4.08Å; F236-M238 PolarHBondContact O-N 3.31Å
239	H	92.3	Very high	89.3	Confident	40 Å²	40	44.6 Å²	44.6	19%	0.185	22%	0.219	C	C	.	.			trans	-113.5	146.4	171.9	-70.5	-101.4	0	0	0	110.7	Y226 C227 K237 I244	Y226-H239 PolarHBondContact O-N 2.75Å; C227-H239 PolarHBondContact SG-O 3.01Å; K237-H239 PolarHBondContact O-CD2 3.43Å; K237-H239 VanDerWaalsContact O-CD2 3.3Å; H239-I244 HydrophobicContact CB-CD1 3.73Å; H239-I244 HydrophobicContact CB-CG2 3.76Å
240	R	93.1	Very high	89.1	Confident	116 Å²	116	44.6 Å²	44.6	44%	0.438	22%	0.219	S	C	.	.			trans	-84.1	130.9	174.2	-67.7	173.5	64.7	175.6	2.7	109.7	D192 S242 L243 I244	D192-R240 IonicContact OD2-CZ 2.67Å; D192-R240 IonicContact OD2-NE 3.53Å; D192-R240 PolarHBondContact OD2-NE 3.39Å; D192-R240 IonicContact OD2-NH2 2.72Å; D192-R240 PolarHBondContact OD2-NH2 3.28Å; R240-S242 PolarHBondContact O-N 3.42Å; R240-L243 HydrophobicContact CB-CB 4.48Å; R240-L243 HydrophobicContact CB-CD1 4.15Å; R240-L243 HydrophobicContact CB-CG 4.35Å; R240-L243 PolarHBondContact O-N 2.91Å; R240-I244 PolarHBondContact O-N 2.69Å
241	P	92.7	Very high	88.7	Confident	7 Å²	7	45.7 Å²	45.7	5%	0.045	23%	0.229	C	C	.	.	H	α-helix	trans	-48.7	-42.3	176	-29.1	33.1	0	0	0	113.4	L191 D192 C227 L243 I244 F245	L191-P241 HydrophobicContact CG-CB 4.5Å; D192-P241 VanDerWaalsContact OD1-CD 3.28Å; D192-P241 WeakPolarHBondContact OD1-CD 3.24Å; C227-P241 HydrophobicContact CB-CG 4.11Å; P241-L243 PolarHBondContact O-N 3.41Å; P241-L243 VanDerWaalsContact O-N 3.15Å; P241-I244 PolarHBondContact O-N 3.26Å; P241-F245 HydrophobicContact CB-CD2 4.28Å; P241-F245 WeakPolarHBondContact O-CB 3.38Å; P241-F245 PolarHBondContact O-N 2.6Å
242	S	92.8	Very high	88.3	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-61.6	-20.7	-179.7	57.7	0	0	0	0	115.6	N155 V156 I157 D192 R240	N155-S242 WeakPolarHBondContact CB-O 3.45Å; V156-S242 PolarHBondContact N-O 3.46Å; V156-S242 VanDerWaalsContact N-O 3.16Å; I157-S242 PolarHBondContact N-O 2.84Å; D192-S242 VanDerWaalsContact CG-OG 3.23Å; D192-S242 WeakPolarHBondContact OD1-CB 3.41Å; D192-S242 PolarHBondContact OD1-N 2.91Å; D192-S242 PolarHBondContact OD1-OG 3.3Å; D192-S242 PolarHBondContact OD2-OG 3.25Å; R240-S242 PolarHBondContact O-N 3.42Å
243	L	93.3	Very high	88	Confident	79 Å²	79	40.6 Å²	40.6	41%	0.414	20%	0.198	S	C	.	.	H	α-helix	trans	-98.1	-21.9	-178.7	-74.2	173.8	0	0	0	113.8	N155 I157 R240 P241	N155-L243 WeakPolarHBondContact CB-O 3.35Å; I157-L243 HydrophobicContact CD1-CD2 3.53Å; I157-L243 HydrophobicContact CD1-CG 4.09Å; R240-L243 HydrophobicContact CB-CB 4.48Å; R240-L243 HydrophobicContact CB-CD1 4.15Å; R240-L243 HydrophobicContact CB-CG 4.35Å; R240-L243 PolarHBondContact O-N 2.91Å; P241-L243 PolarHBondContact O-N 3.41Å; P241-L243 VanDerWaalsContact O-N 3.15Å
244	I	92.4	Very high	87.4	Confident	4 Å²	4	40.9 Å²	40.9	2%	0.021	20%	0.199	C	C	.	.	H	α-helix	trans	-114.3	-19.1	-171.6	71.3	-178.9	0	0	0	113.4	P149 F151 C227 H239 R240 P241	P149-I244 HydrophobicContact CB-CB 3.9Å; P149-I244 HydrophobicContact CB-CD1 4.5Å; P149-I244 HydrophobicContact CB-CG2 3.64Å; F151-I244 WeakPolarHBondContact CB-O 3.38Å; F151-I244 HydrophobicContact CD2-CB 4.19Å; F151-I244 HydrophobicContact CD2-CD1 4.37Å; F151-I244 HydrophobicContact CD2-CG1 4.14Å; F151-I244 WeakPolarHBondContact CD2-O 3.36Å; F151-I244 HydrophobicContact CE2-CB 4.23Å; F151-I244 HydrophobicContact CE2-CD1 3.73Å; F151-I244 HydrophobicContact CE2-CG1 4Å; F151-I244 PolarHBondContact N-O 3.26Å; C227-I244 WeakPolarHBondContact SG-CD1 3.29Å; H239-I244 HydrophobicContact CB-CD1 3.73Å; H239-I244 HydrophobicContact CB-CG2 3.76Å; R240-I244 PolarHBondContact O-N 2.69Å; P241-I244 PolarHBondContact O-N 3.26Å
245	F	92.8	Very high	86.7	Confident	1 Å²	1	36.2 Å²	36.2	0%	0.004	18%	0.178	C	C	.	.			trans	-109.5	160.4	173.6	-66.3	-77.1	0	0	0	111	F151 N155 V156 C219 R222 W223 P241 L249	F151-F245 HydrophobicContact CD2-CD1 4.07Å; F151-F245 AromaticContact CD2-CE1 3.72Å; F151-F245 HydrophobicContact CD2-CE1 3.72Å; F151-F245 HydrophobicContact CD2-CE2 4.47Å; F151-F245 AromaticContact CD2-CZ 3.93Å; F151-F245 HydrophobicContact CD2-CZ 3.93Å; F151-F245 HydrophobicContact CE2-CE1 4.2Å; F151-F245 HydrophobicContact CE2-CE2 4.43Å; F151-F245 AromaticContact CE2-CZ 3.95Å; F151-F245 HydrophobicContact CE2-CZ 3.95Å; N155-F245 CarbonylContact C-O 3.57Å; N155-F245 WeakPolarHBondContact CA-O 3.45Å; V156-F245 WeakPolarHBondContact CG2-O 3.34Å; V156-F245 PolarHBondContact N-O 2.8Å; C219-F245 HydrophobicContact CB-CE1 4.35Å; C219-F245 WeakPolarHBondContact O-CZ 3.39Å; R222-F245 HydrophobicContact CB-CE1 3.91Å; R222-F245 HydrophobicContact CB-CZ 3.66Å; W223-F245 HydrophobicContact CB-CE2 3.84Å; W223-F245 HydrophobicContact CB-CZ 3.8Å; P241-F245 HydrophobicContact CB-CD2 4.28Å; P241-F245 WeakPolarHBondContact O-CB 3.38Å; P241-F245 PolarHBondContact O-N 2.6Å; F245-L249 HydrophobicContact CB-CB 3.8Å; F245-L249 HydrophobicContact CB-CD2 3.58Å; F245-L249 HydrophobicContact CB-CG 4.32Å; F245-L249 HydrophobicContact CD1-CB 4.02Å; F245-L249 HydrophobicContact CD1-CD2 4.08Å; F245-L249 HydrophobicContact CD2-CD2 3.65Å; F245-L249 HydrophobicContact CE2-CD2 4.35Å; F245-L249 HydrophobicContact CG-CB 4.06Å; F245-L249 HydrophobicContact CG-CD2 3.5Å; F245-L249 VanDerWaalsContact CG-CD2 3.5Å; F245-L249 HydrophobicContact CG-CG 4.35Å
246	G	90.1	Very high	85.1	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.206	C	C	.	.			trans	-135.4	-137.9	178.4	0	0	0	0	0	111.9	E152 H154 Q248 L249 L250	E152-G246 VanDerWaalsContact CD-CA 3.49Å; E152-G246 VanDerWaalsContact CD-N 3.32Å; E152-G246 VanDerWaalsContact OE1-C 3.31Å; E152-G246 VanDerWaalsContact OE1-CA 3.31Å; E152-G246 WeakPolarHBondContact OE1-CA 3.41Å; E152-G246 PolarHBondContact OE1-N 2.79Å; E152-G246 VanDerWaalsContact OE2-C 3.32Å; H154-G246 VanDerWaalsContact O-CA 3.31Å; H154-G246 WeakPolarHBondContact O-CA 3.45Å; G246-Q248 VanDerWaalsContact C-N 3.31Å; G246-Q248 PolarHBondContact O-N 3.22Å; G246-L249 PolarHBondContact O-N 3.25Å; G246-L250 WeakPolarHBondContact O-CG 3.46Å; G246-L250 PolarHBondContact O-N 2.76Å
247	S	86.7	Confident	83.3	Confident	21 Å²	21	41.2 Å²	41.2	15%	0.147	22%	0.221	C	C	.	.	H	α-helix	trans	-53.3	-40.5	-177.4	32.7	0	0	0	0	113.7	E152 L249 L250 A251 D295	E152-S247 PolarHBondContact OE2-N 3.12Å; E152-S247 PolarHBondContact OE2-OG 2.89Å; S247-L249 PolarHBondContact O-N 3Å; S247-L250 PolarHBondContact O-N 3.28Å; S247-A251 WeakPolarHBondContact O-CB 3.27Å; S247-A251 PolarHBondContact O-N 3.31Å; S247-D295 WeakPolarHBondContact CB-OD1 3.35Å
248	Q	84.7	Confident	81.6	Confident	80 Å²	80	34.3 Å²	34.3	37%	0.374	19%	0.19	S	C	.	.	H	α-helix	trans	-63.3	-46.9	-174.5	-65.7	178.8	-2.3	0	0	111.6	E152 G246 A251 H252	E152-Q248 WeakPolarHBondContact OE1-CB 3.45Å; E152-Q248 PolarHBondContact OE1-N 3.06Å; E152-Q248 PolarHBondContact OE2-N 2.91Å; G246-Q248 VanDerWaalsContact C-N 3.31Å; G246-Q248 PolarHBondContact O-N 3.22Å; Q248-A251 PolarHBondContact O-N 2.97Å; Q248-H252 PolarHBondContact O-CD2 3.21Å; Q248-H252 PolarHBondContact O-N 3.4Å
249	L	87.6	Confident	79.8	Confident	1 Å²	1	40 Å²	40	1%	0.005	21%	0.205	C	C	.	.	H	α-helix	trans	-64.2	-43.4	176.1	179.6	64	0	0	0	111.1	L196 C219 F245 G246 S247 A251 H252 I253	L196-L249 HydrophobicContact CD1-CD1 3.79Å; L196-L249 HydrophobicContact CD2-CD1 4.08Å; C219-L249 HydrophobicContact CB-CD1 4.19Å; F245-L249 HydrophobicContact CB-CB 3.8Å; F245-L249 HydrophobicContact CB-CD2 3.58Å; F245-L249 HydrophobicContact CB-CG 4.32Å; F245-L249 HydrophobicContact CD1-CB 4.02Å; F245-L249 HydrophobicContact CD1-CD2 4.08Å; F245-L249 HydrophobicContact CD2-CD2 3.65Å; F245-L249 HydrophobicContact CE2-CD2 4.35Å; F245-L249 HydrophobicContact CG-CB 4.06Å; F245-L249 HydrophobicContact CG-CD2 3.5Å; F245-L249 VanDerWaalsContact CG-CD2 3.5Å; F245-L249 HydrophobicContact CG-CG 4.35Å; G246-L249 PolarHBondContact O-N 3.25Å; S247-L249 PolarHBondContact O-N 3Å; L249-A251 VanDerWaalsContact C-N 3.3Å; L249-A251 PolarHBondContact O-N 2.97Å; L249-H252 PolarHBondContact O-N 3.33Å; L249-I253 HydrophobicContact CD1-CD1 4.02Å; L249-I253 HydrophobicContact CD1-CG1 4.26Å; L249-I253 HydrophobicContact CD2-CD1 4.17Å; L249-I253 HydrophobicContact CG-CD1 3.73Å; L249-I253 HydrophobicContact CG-CG1 4.34Å; L249-I253 WeakPolarHBondContact O-CG1 3.37Å; L249-I253 PolarHBondContact O-N 2.99Å
250	L	86.7	Confident	78	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-61	-39.7	179.3	-67.1	175.1	0	0	0	111.6	V156 I159 F187 L191 G246 S247 H252 I253 F254 F287 L291	V156-L250 HydrophobicContact CB-CD1 4.41Å; V156-L250 HydrophobicContact CG1-CD1 4.09Å; V156-L250 HydrophobicContact CG1-CD2 4.18Å; V156-L250 HydrophobicContact CG2-CD1 3.87Å; V156-L250 HydrophobicContact CG2-CD2 4.02Å; V156-L250 HydrophobicContact CG2-CG 3.91Å; I159-L250 HydrophobicContact CD1-CD1 4.07Å; I159-L250 HydrophobicContact CG2-CD1 4.4Å; F187-L250 HydrophobicContact CZ-CD2 4.26Å; L191-L250 HydrophobicContact CD2-CD2 4.35Å; G246-L250 WeakPolarHBondContact O-CG 3.46Å; G246-L250 PolarHBondContact O-N 2.76Å; S247-L250 PolarHBondContact O-N 3.28Å; L250-H252 VanDerWaalsContact C-N 3.3Å; L250-H252 PolarHBondContact O-N 3.47Å; L250-I253 PolarHBondContact O-N 3.16Å; L250-F254 HydrophobicContact CB-CD2 4.32Å; L250-F254 HydrophobicContact CD2-CD2 4.06Å; L250-F254 HydrophobicContact CD2-CE2 3.73Å; L250-F254 WeakPolarHBondContact O-CB 3.36Å; L250-F254 WeakPolarHBondContact O-CD2 3.18Å; L250-F254 PolarHBondContact O-N 3.13Å; L250-F287 HydrophobicContact CD1-CE1 4.3Å; L250-F287 HydrophobicContact CD1-CZ 4.15Å; L250-L291 HydrophobicContact CB-CD1 3.89Å; L250-L291 HydrophobicContact CB-CD2 4.41Å; L250-L291 HydrophobicContact CD1-CD1 4.34Å; L250-L291 HydrophobicContact CD1-CD2 3.87Å
251	A	81.8	Confident	76.1	Confident	37 Å²	37	36.5 Å²	36.5	31%	0.306	20%	0.201	S	C	.	.	H	α-helix	trans	-61.1	-37.2	176.7	0	0	0	0	0	112.2	S247 Q248 L249 G255	S247-A251 WeakPolarHBondContact O-CB 3.27Å; S247-A251 PolarHBondContact O-N 3.31Å; Q248-A251 PolarHBondContact O-N 2.97Å; L249-A251 VanDerWaalsContact C-N 3.3Å; L249-A251 PolarHBondContact O-N 2.97Å; A251-G255 WeakPolarHBondContact O-CA 3.42Å; A251-G255 PolarHBondContact O-N 2.91Å
252	H	79.9	Confident	74.3	Confident	10 Å²	10	37.5 Å²	37.5	5%	0.046	21%	0.209	C	C	.	.	H	α-helix	trans	-74.3	-36.5	175.1	-65.2	-58.1	0	0	0	113.4	F202 E212 Y216 Q248 L249 L250	F202-H252 HydrophobicContact CZ-CB 4.23Å; E212-H252 PolarHBondContact O-CE1 2.88Å; Y216-H252 HydrophobicContact CD2-CB 3.57Å; Y216-H252 AromaticContact CD2-CG 3.77Å; Y216-H252 HydrophobicContact CE2-CB 4.14Å; Y216-H252 PolarHBondContact N-NE2 3.46Å; Q248-H252 PolarHBondContact O-CD2 3.21Å; Q248-H252 PolarHBondContact O-N 3.4Å; L249-H252 PolarHBondContact O-N 3.33Å; L250-H252 VanDerWaalsContact C-N 3.3Å; L250-H252 PolarHBondContact O-N 3.47Å
253	I	79.6	Confident	72.6	Confident	4 Å²	4	38.1 Å²	38.1	2%	0.021	21%	0.212	C	C	.	.	H	α-helix	trans	-72.2	-39.8	179	-66.5	173.9	0	0	0	111.6	W190 L191 Y194 L196 L249 L250	W190-I253 HydrophobicContact CH2-CG2 3.83Å; L191-I253 HydrophobicContact CD1-CD1 3.72Å; Y194-I253 HydrophobicContact CD1-CD1 4.26Å; Y194-I253 HydrophobicContact CE1-CD1 4.42Å; Y194-I253 HydrophobicContact CE1-CG1 4.43Å; Y194-I253 HydrophobicContact CE1-CG2 4.43Å; L196-I253 HydrophobicContact CD2-CD1 3.89Å; L196-I253 HydrophobicContact CD2-CG1 4.13Å; L249-I253 HydrophobicContact CD1-CD1 4.02Å; L249-I253 HydrophobicContact CD1-CG1 4.26Å; L249-I253 HydrophobicContact CD2-CD1 4.17Å; L249-I253 HydrophobicContact CG-CD1 3.73Å; L249-I253 HydrophobicContact CG-CG1 4.34Å; L249-I253 WeakPolarHBondContact O-CG1 3.37Å; L249-I253 PolarHBondContact O-N 2.99Å; L250-I253 PolarHBondContact O-N 3.16Å
254	F	74.2	Confident	70.9	Confident	8 Å²	8	40 Å²	40	4%	0.035	22%	0.219	C	C	.	.	H	α-helix	trans	-108.7	-1	-171.8	-66.5	-70.8	0	0	0	114.7	F187 W190 L250 V263 I284 R288 L291	F187-F254 HydrophobicContact CE2-CE1 4.33Å; F187-F254 AromaticContact CE2-CE2 3.96Å; F187-F254 HydrophobicContact CE2-CE2 3.96Å; F187-F254 AromaticContact CE2-CZ 3.43Å; F187-F254 HydrophobicContact CE2-CZ 3.43Å; F187-F254 VanDerWaalsContact CE2-CZ 3.43Å; F187-F254 AromaticContact CZ-CE2 3.64Å; F187-F254 HydrophobicContact CZ-CE2 3.64Å; F187-F254 AromaticContact CZ-CZ 3.62Å; F187-F254 HydrophobicContact CZ-CZ 3.62Å; W190-F254 HydrophobicContact CH2-CE1 4.21Å; W190-F254 HydrophobicContact CH2-CE2 4.49Å; W190-F254 AromaticContact CH2-CZ 3.71Å; W190-F254 HydrophobicContact CH2-CZ 3.71Å; W190-F254 HydrophobicContact CZ3-CE1 4.36Å; W190-F254 HydrophobicContact CZ3-CE2 4.21Å; W190-F254 AromaticContact CZ3-CZ 3.51Å; W190-F254 HydrophobicContact CZ3-CZ 3.51Å; L250-F254 HydrophobicContact CB-CD2 4.32Å; L250-F254 HydrophobicContact CD2-CD2 4.06Å; L250-F254 HydrophobicContact CD2-CE2 3.73Å; L250-F254 WeakPolarHBondContact O-CB 3.36Å; L250-F254 WeakPolarHBondContact O-CD2 3.18Å; L250-F254 PolarHBondContact O-N 3.13Å; F254-V263 HydrophobicContact CE1-CG2 4.13Å; F254-I284 HydrophobicContact CD1-CG2 4.1Å; F254-I284 HydrophobicContact CE1-CG2 3.86Å; F254-R288 HydrophobicContact CB-CG 3.87Å; F254-R288 HydrophobicContact CD1-CG 4.26Å; F254-R288 HydrophobicContact CG-CG 4.35Å; F254-R288 PolarHBondContact O-NE 3.36Å; F254-L291 HydrophobicContact CD2-CD1 4.29Å
255	G	66	Low	69	Low	17 Å²	17	43.9 Å²	43.9	18%	0.175	24%	0.239	C	C	.	.			trans	-55	149.6	-175.8	0	0	0	0	0	113.8	A251 S257 F258	A251-G255 WeakPolarHBondContact O-CA 3.42Å; A251-G255 PolarHBondContact O-N 2.91Å; G255-S257 PolarHBondContact O-N 3.26Å; G255-F258 PolarHBondContact O-N 3.01Å
256	S	53.8	Low	67.2	Low	103 Å²	103	44.1 Å²	44.1	72%	0.72	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.2	-29.3	-173.3	43.9	0	0	0	0	114.9	F258	S256-F258 VanDerWaalsContact C-N 3.34Å
257	S	51.4	Low	65.7	Low	61 Å²	61	45.2 Å²	45.2	43%	0.427	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-0.9	179.6	-43.6	0	0	0	0	114.2	G255	G255-S257 PolarHBondContact O-N 3.26Å
258	F	51.8	Low	64.3	Low	14 Å²	14	49.3 Å²	49.3	6%	0.061	26%	0.264	C	S	.	.			trans	-114.1	92.5	-174.8	-151.7	-118.1	0	0	0	111.1	V197 F202 L205 G255 S256 N260	V197-F258 HydrophobicContact CG2-CZ 4.17Å; F202-F258 HydrophobicContact CD2-CE2 4.09Å; F202-F258 HydrophobicContact CD2-CZ 4.33Å; F202-F258 HydrophobicContact CE2-CD2 4.43Å; F202-F258 HydrophobicContact CE2-CE2 4.21Å; L205-F258 HydrophobicContact CB-CD2 4.37Å; L205-F258 HydrophobicContact CB-CE2 3.8Å; L205-F258 HydrophobicContact CD1-CE2 3.41Å; L205-F258 VanDerWaalsContact CD1-CE2 3.41Å; L205-F258 HydrophobicContact CD1-CZ 3.7Å; L205-F258 HydrophobicContact CG-CE2 4.22Å; G255-F258 PolarHBondContact O-N 3.01Å; S256-F258 VanDerWaalsContact C-N 3.34Å; F258-N260 HydrophobicContact CD1-CB 3.44Å; F258-N260 VanDerWaalsContact CD1-CB 3.44Å; F258-N260 HydrophobicContact CE1-CB 3.56Å; F258-N260 WeakPolarHBondContact CE1-ND2 3.26Å; F258-N260 HydrophobicContact CG-CB 4.5Å; F258-N260 PolarHBondContact O-N 3.5Å
259	R	52.1	Low	62.9	Low	236 Å²	236	52.3 Å²	52.3	89%	0.891	28%	0.277	S	S	*	.			trans	-71.7	85.2	157.4	-83.4	-168.1	-176.5	-150	2.5	107.2	P261	R259-P261 WeakPolarHBondContact O-CD 3.39Å
260	N	54.5	Low	61.5	Low	5 Å²	5	53.9 Å²	53.9	3%	0.027	29%	0.285	C	S	.	.			trans	-71.2	111.1	-179.6	-164.2	-16.2	0	0	0	109.9	Y194 F258 S262 V263	Y194-N260 PolarHBondContact OH-ND2 3Å; Y194-N260 PolarHBondContact OH-OD1 3.45Å; F258-N260 HydrophobicContact CD1-CB 3.44Å; F258-N260 VanDerWaalsContact CD1-CB 3.44Å; F258-N260 HydrophobicContact CE1-CB 3.56Å; F258-N260 WeakPolarHBondContact CE1-ND2 3.26Å; F258-N260 HydrophobicContact CG-CB 4.5Å; F258-N260 PolarHBondContact O-N 3.5Å; N260-S262 PolarHBondContact O-N 2.89Å; N260-S262 WeakPolarHBondContact OD1-CA 3.46Å; N260-S262 WeakPolarHBondContact OD1-CB 3.41Å; N260-S262 PolarHBondContact OD1-N 3.47Å; N260-S262 PolarHBondContact OD1-OG 3.44Å; N260-V263 HydrophobicContact CB-CB 4.43Å; N260-V263 HydrophobicContact CB-CG2 3.97Å; N260-V263 PolarHBondContact O-N 3.44Å
261	P	53.2	Low	59.9	Low	79 Å²	79	60.8 Å²	60.8	51%	0.513	32%	0.315	S	S	.	.	H	α-helix	trans	-58.9	-21.4	173.1	-17.3	31.6	0	0	0	111.2	R259 V263 E264 L265	R259-P261 WeakPolarHBondContact O-CD 3.39Å; P261-V263 VanDerWaalsContact C-N 3.35Å; P261-E264 CarbonylContact O-C 3.54Å; P261-E264 WeakPolarHBondContact O-CA 3.21Å; P261-E264 VanDerWaalsContact O-CB 3.26Å; P261-E264 WeakPolarHBondContact O-CB 3.36Å; P261-E264 PolarHBondContact O-N 3.37Å; P261-L265 PolarHBondContact O-N 3.36Å
262	S	54.2	Low	58.5	Low	28 Å²	28	66.9 Å²	66.9	20%	0.196	34%	0.342	C	S	.	.	H	α-helix	trans	-69.9	-27	176.5	-48.3	0	0	0	0	114.5	Y194 N260 L265 C266	Y194-S262 VanDerWaalsContact CE2-OG 3.29Å; Y194-S262 WeakPolarHBondContact CE2-OG 3.34Å; Y194-S262 WeakPolarHBondContact OH-CB 3.34Å; Y194-S262 PolarHBondContact OH-OG 2.96Å; N260-S262 PolarHBondContact O-N 2.89Å; N260-S262 WeakPolarHBondContact OD1-CA 3.46Å; N260-S262 WeakPolarHBondContact OD1-CB 3.41Å; N260-S262 PolarHBondContact OD1-N 3.47Å; N260-S262 PolarHBondContact OD1-OG 3.44Å; S262-L265 PolarHBondContact O-N 2.82Å; S262-C266 WeakPolarHBondContact O-CB 3.28Å; S262-C266 PolarHBondContact O-N 3.03Å
263	V	57.5	Low	57.4	Low	13 Å²	13	69 Å²	69	8%	0.079	36%	0.358	C	S	.	.	H	α-helix	trans	-70.6	-39.4	170.8	171.3	0	0	0	0	109.2	W190 F254 N260 P261 L265 C266 L267 I284	W190-V263 HydrophobicContact CH2-CG2 4.38Å; W190-V263 HydrophobicContact CZ2-CG2 4.25Å; F254-V263 HydrophobicContact CE1-CG2 4.13Å; N260-V263 HydrophobicContact CB-CB 4.43Å; N260-V263 HydrophobicContact CB-CG2 3.97Å; N260-V263 PolarHBondContact O-N 3.44Å; P261-V263 VanDerWaalsContact C-N 3.35Å; V263-L265 VanDerWaalsContact C-N 3.32Å; V263-L265 PolarHBondContact O-N 2.97Å; V263-C266 VanDerWaalsContact O-CB 3.3Å; V263-C266 WeakPolarHBondContact O-CB 3.22Å; V263-C266 PolarHBondContact O-N 2.52Å; V263-L267 HydrophobicContact CG1-CD1 4.45Å; V263-L267 VanDerWaalsContact O-CG 3.3Å; V263-L267 WeakPolarHBondContact O-CG 3.26Å; V263-L267 PolarHBondContact O-N 3.34Å; V263-I284 HydrophobicContact CG1-CD1 3.75Å; V263-I284 HydrophobicContact CG1-CG2 4.25Å
264	E	57.3	Low	56.3	Low	118 Å²	118	76.9 Å²	76.9	55%	0.551	39%	0.393	S	S	*	.	H	α-helix	trans	-61.1	-39.5	169.9	-120.8	114.9	-155.1	0	0	112.1	P261 L267 Q268	P261-E264 CarbonylContact O-C 3.54Å; P261-E264 WeakPolarHBondContact O-CA 3.21Å; P261-E264 VanDerWaalsContact O-CB 3.26Å; P261-E264 WeakPolarHBondContact O-CB 3.36Å; P261-E264 PolarHBondContact O-N 3.37Å; E264-L267 WeakPolarHBondContact O-CB 3.34Å; E264-L267 PolarHBondContact O-N 3.14Å; E264-Q268 WeakPolarHBondContact O-CG 3.2Å; E264-Q268 PolarHBondContact O-N 2.72Å
265	L	54.1	Low	55.6	Low	86 Å²	86	77.2 Å²	77.2	45%	0.45	40%	0.395	S	S	.	.	H	α-helix	trans	-68.9	-35.8	174.4	-97.9	134.1	0	0	0	112.6	P261 S262 V263 L267 Q268 Q269	P261-L265 PolarHBondContact O-N 3.36Å; S262-L265 PolarHBondContact O-N 2.82Å; V263-L265 VanDerWaalsContact C-N 3.32Å; V263-L265 PolarHBondContact O-N 2.97Å; L265-L267 VanDerWaalsContact C-N 3.32Å; L265-Q268 CarbonylContact O-C 3.56Å; L265-Q268 WeakPolarHBondContact O-CB 3.23Å; L265-Q268 PolarHBondContact O-N 3.09Å; L265-Q268 VanDerWaalsContact O-N 3.1Å; L265-Q269 WeakPolarHBondContact O-CG 3.36Å; L265-Q269 PolarHBondContact O-N 3.33Å
266	C	54.5	Low	55.3	Low	5 Å²	5	79.8 Å²	79.8	3%	0.034	41%	0.408	C	S	.	.	H	α-helix	trans	-57.8	-48.5	171.2	-175.8	0	0	0	0	110.6	W190 S262 V263 Q268 Q269 H270	W190-C266 VanDerWaalsContact CD1-CB 3.48Å; W190-C266 HydrophobicContact CD2-CB 4.42Å; W190-C266 HydrophobicContact CG-CB 4.11Å; W190-C266 VanDerWaalsContact NE1-CB 3.33Å; S262-C266 WeakPolarHBondContact O-CB 3.28Å; S262-C266 PolarHBondContact O-N 3.03Å; V263-C266 VanDerWaalsContact O-CB 3.3Å; V263-C266 WeakPolarHBondContact O-CB 3.22Å; V263-C266 PolarHBondContact O-N 2.52Å; C266-Q268 PolarHBondContact O-N 2.9Å; C266-Q269 PolarHBondContact O-N 3.48Å; C266-H270 PolarHBondContact O-N 3.11Å
267	L	57.9	Low	55.8	Low	23 Å²	23	77.1 Å²	77.1	12%	0.12	39%	0.387	C	S	.	.	H	α-helix	trans	-57.7	-35.4	174.3	-72.7	170	0	0	0	111.4	V263 E264 L265 V277 L280 A281	V263-L267 HydrophobicContact CG1-CD1 4.45Å; V263-L267 VanDerWaalsContact O-CG 3.3Å; V263-L267 WeakPolarHBondContact O-CG 3.26Å; V263-L267 PolarHBondContact O-N 3.34Å; E264-L267 WeakPolarHBondContact O-CB 3.34Å; E264-L267 PolarHBondContact O-N 3.14Å; L265-L267 VanDerWaalsContact C-N 3.32Å; L267-V277 HydrophobicContact CB-CG1 3.8Å; L267-V277 HydrophobicContact CD2-CG1 3.73Å; L267-V277 WeakPolarHBondContact CD2-O 3.45Å; L267-V277 HydrophobicContact CG-CG1 4.25Å; L267-V277 WeakPolarHBondContact O-CG2 3.07Å; L267-L280 HydrophobicContact CD2-CB 3.78Å; L267-L280 HydrophobicContact CD2-CD2 3.88Å; L267-L280 HydrophobicContact CD2-CG 4.04Å; L267-A281 HydrophobicContact CD1-CB 4.23Å; L267-A281 HydrophobicContact CD2-CB 3.95Å
268	Q	57.3	Low	56.5	Low	108 Å²	108	80.4 Å²	80.4	51%	0.505	40%	0.4	S	S	.	.	H	α-helix	trans	-76.8	-38.2	175.9	-71.2	177.9	8.2	0	0	114.3	E264 L265 C266 H270 K271	E264-Q268 WeakPolarHBondContact O-CG 3.2Å; E264-Q268 PolarHBondContact O-N 2.72Å; L265-Q268 CarbonylContact O-C 3.56Å; L265-Q268 WeakPolarHBondContact O-CB 3.23Å; L265-Q268 PolarHBondContact O-N 3.09Å; L265-Q268 VanDerWaalsContact O-N 3.1Å; C266-Q268 PolarHBondContact O-N 2.9Å; Q268-H270 VanDerWaalsContact C-N 3.29Å; Q268-H270 PolarHBondContact O-N 3.08Å; Q268-K271 VanDerWaalsContact O-CB 3.27Å; Q268-K271 WeakPolarHBondContact O-CB 3.12Å; Q268-K271 WeakPolarHBondContact O-CG 3.04Å; Q268-K271 PolarHBondContact O-N 3.42Å; Q268-K271 VanDerWaalsContact O-N 3.16Å
269	Q	55.9	Low	57.2	Low	142 Å²	142	84.7 Å²	84.7	66%	0.664	42%	0.415	S	S	*	.	H	α-helix	trans	-68.5	-29.8	-178.9	-76.3	-177.5	-6.9	0	0	112.5	L265 C266 K271	L265-Q269 WeakPolarHBondContact O-CG 3.36Å; L265-Q269 PolarHBondContact O-N 3.33Å; C266-Q269 PolarHBondContact O-N 3.48Å; Q269-K271 VanDerWaalsContact C-N 3.31Å
270	H	57.9	Low	58	Low	35 Å²	35	73.7 Å²	73.7	16%	0.162	37%	0.374	C	S	.	.	G	3₁₀ helix	trans	-86.8	8.3	174	-75.5	-69.7	0	0	0	114.2	C266 Q268 N272 S273	C266-H270 PolarHBondContact O-N 3.11Å; Q268-H270 VanDerWaalsContact C-N 3.29Å; Q268-H270 PolarHBondContact O-N 3.08Å; H270-N272 PolarHBondContact O-N 2.69Å; H270-S273 WeakPolarHBondContact ND1-CB 3.21Å; H270-S273 PolarHBondContact ND1-OG 2.71Å; H270-S273 PolarHBondContact O-N 3.5Å
271	K	53	Low	58.7	Low	144 Å²	144	75 Å²	75	63%	0.626	39%	0.386	S	S	*	.	G	3₁₀ helix	trans	-53	-26.2	173	-84.5	-179.1	173.8	-176	0	113.6	Q268 Q269 V277	Q268-K271 VanDerWaalsContact O-CB 3.27Å; Q268-K271 WeakPolarHBondContact O-CB 3.12Å; Q268-K271 WeakPolarHBondContact O-CG 3.04Å; Q268-K271 PolarHBondContact O-N 3.42Å; Q268-K271 VanDerWaalsContact O-N 3.16Å; Q269-K271 VanDerWaalsContact C-N 3.31Å; K271-V277 HydrophobicContact CG-CG2 4.03Å
272	N	52.6	Low	59.7	Low	165 Å²	165	74.6 Å²	74.6	88%	0.882	39%	0.385	S	S	*	.	G	3₁₀ helix	trans	-101.3	3.3	177.7	-67.1	-9.9	0	0	0	114.1	H270	H270-N272 PolarHBondContact O-N 2.69Å
273	S	56.5	Low	60.9	Low	55 Å²	55	73.3 Å²	73.3	39%	0.385	38%	0.376	S	S	.	.	S	Bend	trans	-92.8	155.8	177.9	-70.8	0	0	0	0	111.1	H270 V275	H270-S273 WeakPolarHBondContact ND1-CB 3.21Å; H270-S273 PolarHBondContact ND1-OG 2.71Å; H270-S273 PolarHBondContact O-N 3.5Å; S273-V275 PolarHBondContact O-N 3.39Å
274	F	55.7	Low	61.7	Low	170 Å²	170	72.9 Å²	72.9	75%	0.746	37%	0.373	S	S	*	.	S	Bend	trans	-57.6	1.5	174.4	-88.4	-86.8	0	0	0	114.9	R178	R178-F274 PolarHBondContact NH1-O 3.13Å
275	V	60.1	Low	62.7	Low	15 Å²	15	71.6 Å²	71.6	9%	0.091	37%	0.373	C	S	.	.	S	Bend	trans	-102.3	117.1	176.2	-177	0	0	0	0	108.3	V182 L183 S273 R279 L280	V182-V275 HydrophobicContact CG1-CG2 3.64Å; L183-V275 HydrophobicContact CD2-CG1 3.78Å; S273-V275 PolarHBondContact O-N 3.39Å; V275-R279 HydrophobicContact CG1-CB 4.48Å; V275-L280 HydrophobicContact CG1-CB 4.21Å
276	T	60.7	Low	64	Low	70 Å²	70	69 Å²	69	43%	0.429	36%	0.36	S	S	.	.			trans	-65.4	136.7	173.6	53.2	0	0	0	0	109.5	D278 R279 L280	T276-D278 PolarHBondContact O-N 2.95Å; T276-D278 VanDerWaalsContact O-N 3.1Å; T276-R279 WeakPolarHBondContact O-CB 3.42Å; T276-R279 PolarHBondContact O-N 3.34Å; T276-R279 VanDerWaalsContact OG1-CD 3.23Å; T276-R279 WeakPolarHBondContact OG1-CD 3.37Å; T276-R279 WeakPolarHBondContact OG1-CG 3.04Å; T276-R279 PolarHBondContact OG1-NE 2.68Å; T276-L280 PolarHBondContact O-N 2.7Å
277	V	63	Low	65.3	Low	48 Å²	48	68.8 Å²	68.8	29%	0.291	36%	0.359	S	S	.	.	H	α-helix	trans	-46.7	-42.5	178.9	178.4	0	0	0	0	111.7	L267 K271 R279 L280 A281	L267-V277 HydrophobicContact CB-CG1 3.8Å; L267-V277 HydrophobicContact CD2-CG1 3.73Å; L267-V277 WeakPolarHBondContact CD2-O 3.45Å; L267-V277 HydrophobicContact CG-CG1 4.25Å; L267-V277 WeakPolarHBondContact O-CG2 3.07Å; K271-V277 HydrophobicContact CG-CG2 4.03Å; V277-R279 VanDerWaalsContact C-N 3.32Å; V277-R279 PolarHBondContact O-N 2.65Å; V277-L280 PolarHBondContact O-N 3.37Å; V277-A281 PolarHBondContact O-N 2.88Å
278	D	66	Low	66.3	Low	129 Å²	129	70.7 Å²	70.7	69%	0.69	36%	0.364	S	S	*	.	H	α-helix	trans	-62.2	-35.8	-179.6	-53.1	-44.3	0	0	0	113.5	T276 A281 S282	T276-D278 PolarHBondContact O-N 2.95Å; T276-D278 VanDerWaalsContact O-N 3.1Å; D278-A281 PolarHBondContact O-N 3.16Å; D278-S282 WeakPolarHBondContact O-CB 3.29Å; D278-S282 PolarHBondContact O-N 2.81Å
279	R	67.3	Low	67.4	Low	104 Å²	104	71.2 Å²	71.2	39%	0.392	37%	0.367	S	S	.	.	H	α-helix	trans	-70.7	-39.7	179.4	-74.5	176.3	-170.5	-168.5	0.5	111.1	V275 T276 V277 S282 F283	V275-R279 HydrophobicContact CG1-CB 4.48Å; T276-R279 WeakPolarHBondContact O-CB 3.42Å; T276-R279 PolarHBondContact O-N 3.34Å; T276-R279 VanDerWaalsContact OG1-CD 3.23Å; T276-R279 WeakPolarHBondContact OG1-CD 3.37Å; T276-R279 WeakPolarHBondContact OG1-CG 3.04Å; T276-R279 PolarHBondContact OG1-NE 2.68Å; V277-R279 VanDerWaalsContact C-N 3.32Å; V277-R279 PolarHBondContact O-N 2.65Å; R279-S282 PolarHBondContact O-N 3.13Å; R279-F283 WeakPolarHBondContact O-CB 3.21Å; R279-F283 PolarHBondContact O-N 3.43Å
280	L	68.4	Low	68.8	Low	5 Å²	5	65.5 Å²	65.5	3%	0.026	34%	0.34	C	S	.	.	H	α-helix	trans	-67.3	-40.5	176.4	-170.1	70.7	0	0	0	110.7	L183 L267 V275 T276 V277 F283 I284	L183-L280 HydrophobicContact CD2-CD1 4.33Å; L267-L280 HydrophobicContact CD2-CB 3.78Å; L267-L280 HydrophobicContact CD2-CD2 3.88Å; L267-L280 HydrophobicContact CD2-CG 4.04Å; V275-L280 HydrophobicContact CG1-CB 4.21Å; T276-L280 PolarHBondContact O-N 2.7Å; V277-L280 PolarHBondContact O-N 3.37Å; L280-F283 HydrophobicContact CD1-CD1 4.31Å; L280-F283 PolarHBondContact O-N 2.86Å; L280-I284 HydrophobicContact CG-CD1 4.1Å; L280-I284 VanDerWaalsContact O-CG1 3.29Å; L280-I284 WeakPolarHBondContact O-CG1 3.5Å; L280-I284 PolarHBondContact O-N 3.11Å
281	A	68.9	Low	70	Confident	34 Å²	34	64.3 Å²	64.3	28%	0.281	34%	0.335	S	S	.	.	H	α-helix	trans	-62.3	-43.4	175.4	0	0	0	0	0	112.2	L267 V277 D278 I284 T285	L267-A281 HydrophobicContact CD1-CB 4.23Å; L267-A281 HydrophobicContact CD2-CB 3.95Å; V277-A281 PolarHBondContact O-N 2.88Å; D278-A281 PolarHBondContact O-N 3.16Å; A281-I284 PolarHBondContact O-N 2.78Å; A281-T285 WeakPolarHBondContact O-CB 3.29Å; A281-T285 PolarHBondContact O-N 3.01Å; A281-T285 PolarHBondContact O-OG1 2.85Å
282	S	74.9	Confident	71.1	Confident	70 Å²	70	65 Å²	65	49%	0.49	33%	0.333	S	S	.	.	H	α-helix	trans	-62	-46.7	175	-170.7	0	0	0	0	111.6	D278 R279 I284 T285 D286	D278-S282 WeakPolarHBondContact O-CB 3.29Å; D278-S282 PolarHBondContact O-N 2.81Å; R279-S282 PolarHBondContact O-N 3.13Å; S282-I284 PolarHBondContact O-N 2.78Å; S282-T285 PolarHBondContact O-N 3.45Å; S282-D286 WeakPolarHBondContact O-CB 3.38Å; S282-D286 PolarHBondContact O-N 2.77Å
283	F	78.9	Confident	72.3	Confident	0 Å²	0	59.9 Å²	59.9	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-59.2	-46.7	176.6	163.6	-99.5	0	0	0	112.1	L160 Y163 F164 F176 L183 F187 R279 L280 T285 D286 F287	L160-F283 HydrophobicContact CD2-CZ 3.92Å; Y163-F283 HydrophobicContact CD1-CE2 4.03Å; Y163-F283 AromaticContact CE1-CD2 3.81Å; Y163-F283 HydrophobicContact CE1-CD2 3.81Å; Y163-F283 AromaticContact CE1-CE2 3.4Å; Y163-F283 HydrophobicContact CE1-CE2 3.4Å; Y163-F283 VanDerWaalsContact CE1-CE2 3.4Å; Y163-F283 AromaticContact CZ-CD2 4Å; Y163-F283 AromaticContact CZ-CE2 3.92Å; F164-F283 HydrophobicContact CE1-CE2 4.28Å; F164-F283 HydrophobicContact CE2-CE2 4.13Å; F164-F283 HydrophobicContact CZ-CD2 4.25Å; F164-F283 AromaticContact CZ-CE2 3.6Å; F164-F283 HydrophobicContact CZ-CE2 3.6Å; F164-F283 HydrophobicContact CZ-CZ 4.31Å; F176-F283 HydrophobicContact CE1-CB 4.27Å; L183-F283 HydrophobicContact CD1-CB 4.35Å; F187-F283 HydrophobicContact CB-CE1 3.97Å; F187-F283 HydrophobicContact CB-CZ 4.35Å; F187-F283 AromaticContact CD2-CE1 3.56Å; F187-F283 HydrophobicContact CD2-CE1 3.56Å; F187-F283 HydrophobicContact CD2-CZ 4.27Å; F187-F283 HydrophobicContact CE2-CE1 4.22Å; F187-F283 AromaticContact CG-CE1 3.95Å; F187-F283 HydrophobicContact CG-CE1 3.95Å; F187-F283 HydrophobicContact CG-CZ 4.34Å; R279-F283 WeakPolarHBondContact O-CB 3.21Å; R279-F283 PolarHBondContact O-N 3.43Å; L280-F283 HydrophobicContact CD1-CD1 4.31Å; L280-F283 PolarHBondContact O-N 2.86Å; F283-T285 VanDerWaalsContact C-N 3.28Å; F283-T285 PolarHBondContact O-N 3.25Å; F283-D286 PolarHBondContact O-N 3.45Å; F283-F287 HydrophobicContact CE2-CB 4.43Å; F283-F287 HydrophobicContact CZ-CB 4.36Å; F283-F287 HydrophobicContact CZ-CG 4.4Å; F283-F287 VanDerWaalsContact O-CB 3.22Å; F283-F287 WeakPolarHBondContact O-CB 3.39Å; F283-F287 PolarHBondContact O-N 3.42Å
284	I	75.6	Confident	73.3	Confident	4 Å²	4	57.8 Å²	57.8	2%	0.021	29%	0.294	C	S	.	.	H	α-helix	trans	-63.6	-37.1	179.9	-69.9	172.2	0	0	0	111.2	F254 V263 L280 A281 S282 R288	F254-I284 HydrophobicContact CD1-CG2 4.1Å; F254-I284 HydrophobicContact CE1-CG2 3.86Å; V263-I284 HydrophobicContact CG1-CD1 3.75Å; V263-I284 HydrophobicContact CG1-CG2 4.25Å; L280-I284 HydrophobicContact CG-CD1 4.1Å; L280-I284 VanDerWaalsContact O-CG1 3.29Å; L280-I284 WeakPolarHBondContact O-CG1 3.5Å; L280-I284 PolarHBondContact O-N 3.11Å; A281-I284 PolarHBondContact O-N 2.78Å; S282-I284 PolarHBondContact O-N 2.78Å; I284-R288 WeakPolarHBondContact O-CB 3.47Å; I284-R288 VanDerWaalsContact O-CG 3.27Å; I284-R288 WeakPolarHBondContact O-CG 3.39Å; I284-R288 PolarHBondContact O-N 3.48Å
285	T	76.9	Confident	73.9	Confident	91 Å²	91	53 Å²	53	56%	0.558	28%	0.277	S	S	*	.	H	α-helix	trans	-66.7	-44.4	177.5	-55.6	0	0	0	0	111.1	A281 S282 F283 R288 E289	A281-T285 WeakPolarHBondContact O-CB 3.29Å; A281-T285 PolarHBondContact O-N 3.01Å; A281-T285 PolarHBondContact O-OG1 2.85Å; S282-T285 PolarHBondContact O-N 3.45Å; F283-T285 VanDerWaalsContact C-N 3.28Å; F283-T285 PolarHBondContact O-N 3.25Å; T285-R288 WeakPolarHBondContact O-CB 3.4Å; T285-R288 PolarHBondContact O-N 3.49Å; T285-E289 PolarHBondContact O-N 3.43Å
286	D	81.7	Confident	73.9	Confident	32 Å²	32	55.6 Å²	55.6	17%	0.171	30%	0.299	C	S	.	.	H	α-helix	trans	-68.4	-41	178.5	-165.4	59.9	0	0	0	112.7	Y163 R167 S282 F283 R288 E289 F290	Y163-D286 WeakPolarHBondContact CE2-OD2 3.45Å; Y163-D286 PolarHBondContact OH-OD2 3.17Å; R167-D286 IonicContact CZ-OD1 2.88Å; R167-D286 IonicContact CZ-OD2 3.37Å; R167-D286 IonicContact NE-OD2 3.97Å; R167-D286 PolarHBondContact NE-OD2 2.85Å; R167-D286 IonicContact NH1-OD1 3.96Å; R167-D286 PolarHBondContact NH1-OD1 3.48Å; R167-D286 IonicContact NH1-OD2 3.58Å; R167-D286 PolarHBondContact NH1-OD2 3.4Å; R167-D286 PolarHBondContact NH2-O 3.18Å; R167-D286 IonicContact NH2-OD1 2.94Å; R167-D286 PolarHBondContact NH2-OD1 3.42Å; R167-D286 IonicContact NH2-OD2 3.93Å; R167-D286 PolarHBondContact NH2-OD2 2.81Å; R167-D286 VanDerWaalsContact NH2-OD2 3.17Å; S282-D286 WeakPolarHBondContact O-CB 3.38Å; S282-D286 PolarHBondContact O-N 2.77Å; F283-D286 PolarHBondContact O-N 3.45Å; D286-R288 VanDerWaalsContact C-N 3.33Å; D286-R288 PolarHBondContact O-N 3.26Å; D286-E289 WeakPolarHBondContact O-CB 3.27Å; D286-E289 PolarHBondContact O-N 3.49Å; D286-F290 PolarHBondContact O-N 2.98Å
287	F	83.2	Confident	73.8	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-64.6	-37.1	175.7	-174.6	-118.4	0	0	0	111.9	I159 L160 Y163 F187 L250 F283 E289 F290 L291	I159-F287 HydrophobicContact CG2-CE2 4.23Å; I159-F287 HydrophobicContact CG2-CZ 4.12Å; L160-F287 HydrophobicContact CD2-CD2 4.08Å; L160-F287 HydrophobicContact CD2-CE1 4.15Å; L160-F287 HydrophobicContact CD2-CE2 3.57Å; L160-F287 HydrophobicContact CD2-CZ 3.6Å; L160-F287 HydrophobicContact CG-CE2 4.28Å; L160-F287 HydrophobicContact CG-CZ 4.1Å; Y163-F287 HydrophobicContact CD1-CD2 4.23Å; Y163-F287 AromaticContact CD2-CD2 3.71Å; Y163-F287 HydrophobicContact CD2-CD2 3.71Å; Y163-F287 HydrophobicContact CD2-CE2 4.48Å; Y163-F287 HydrophobicContact CE2-CB 4.25Å; Y163-F287 HydrophobicContact CE2-CD2 4.17Å; Y163-F287 AromaticContact CG-CD2 3.71Å; Y163-F287 HydrophobicContact CG-CD2 3.71Å; Y163-F287 HydrophobicContact CG-CE2 4.18Å; F187-F287 HydrophobicContact CE1-CE1 4.27Å; F187-F287 HydrophobicContact CE2-CD1 4.26Å; F187-F287 HydrophobicContact CE2-CE1 4.32Å; F187-F287 HydrophobicContact CZ-CD1 4.1Å; F187-F287 AromaticContact CZ-CE1 3.7Å; F187-F287 HydrophobicContact CZ-CE1 3.7Å; L250-F287 HydrophobicContact CD1-CE1 4.3Å; L250-F287 HydrophobicContact CD1-CZ 4.15Å; F283-F287 HydrophobicContact CE2-CB 4.43Å; F283-F287 HydrophobicContact CZ-CB 4.36Å; F283-F287 HydrophobicContact CZ-CG 4.4Å; F283-F287 VanDerWaalsContact O-CB 3.22Å; F283-F287 WeakPolarHBondContact O-CB 3.39Å; F283-F287 PolarHBondContact O-N 3.42Å; F287-E289 VanDerWaalsContact C-N 3.28Å; F287-E289 PolarHBondContact O-N 3.41Å; F287-F290 HydrophobicContact CD2-CD1 4.28Å; F287-F290 HydrophobicContact CE2-CD1 4.14Å; F287-F290 PolarHBondContact O-N 3.3Å; F287-L291 HydrophobicContact CD1-CD1 3.94Å; F287-L291 HydrophobicContact CD1-CG 4.33Å; F287-L291 HydrophobicContact CE1-CD1 3.61Å; F287-L291 HydrophobicContact CE1-CD2 4.26Å; F287-L291 HydrophobicContact CE1-CG 3.99Å; F287-L291 HydrophobicContact CE2-CD2 4.33Å; F287-L291 HydrophobicContact CE2-CG 4.34Å; F287-L291 HydrophobicContact CZ-CD1 4.09Å; F287-L291 HydrophobicContact CZ-CD2 3.88Å; F287-L291 HydrophobicContact CZ-CG 4Å; F287-L291 WeakPolarHBondContact O-CG 3.42Å; F287-L291 PolarHBondContact O-N 3.21Å
288	R	78.6	Confident	73.4	Confident	63 Å²	63	58.5 Å²	58.5	24%	0.238	32%	0.315	C	S	.	.	H	α-helix	trans	-58.7	-39.4	172.2	-88.4	170.1	170.1	167.9	3.2	112.6	F254 I284 T285 D286 R292	F254-R288 HydrophobicContact CB-CG 3.87Å; F254-R288 HydrophobicContact CD1-CG 4.26Å; F254-R288 HydrophobicContact CG-CG 4.35Å; F254-R288 PolarHBondContact O-NE 3.36Å; I284-R288 WeakPolarHBondContact O-CB 3.47Å; I284-R288 VanDerWaalsContact O-CG 3.27Å; I284-R288 WeakPolarHBondContact O-CG 3.39Å; I284-R288 PolarHBondContact O-N 3.48Å; T285-R288 WeakPolarHBondContact O-CB 3.4Å; T285-R288 PolarHBondContact O-N 3.49Å; D286-R288 VanDerWaalsContact C-N 3.33Å; D286-R288 PolarHBondContact O-N 3.26Å; R288-R292 WeakPolarHBondContact O-CG 3.25Å; R288-R292 PolarHBondContact O-N 3.01Å
289	E	80.3	Confident	72.1	Confident	120 Å²	120	56.2 Å²	56.2	56%	0.561	31%	0.313	S	S	*	.	H	α-helix	trans	-70.4	-41.5	177.5	-169.4	167.7	-159	0	0	111.3	T285 D286 F287 L291 R292 S293	T285-E289 PolarHBondContact O-N 3.43Å; D286-E289 WeakPolarHBondContact O-CB 3.27Å; D286-E289 PolarHBondContact O-N 3.49Å; F287-E289 VanDerWaalsContact C-N 3.28Å; F287-E289 PolarHBondContact O-N 3.41Å; E289-L291 PolarHBondContact O-N 2.88Å; E289-R292 PolarHBondContact O-N 3.41Å; E289-S293 PolarHBondContact O-N 3.46Å
290	F	85.1	Confident	70.4	Confident	22 Å²	22	55.4 Å²	55.4	10%	0.096	33%	0.329	C	S	.	.	H	α-helix	trans	-60.1	-41.8	172.4	175.4	-94.2	0	0	0	112.9	I159 M162 Y163 A166 D286 F287 R292 S293 F294	I159-F290 HydrophobicContact CG2-CE1 4.12Å; M162-F290 HydrophobicContact CB-CZ 4.21Å; Y163-F290 HydrophobicContact CD2-CB 3.64Å; Y163-F290 AromaticContact CD2-CD1 3.97Å; Y163-F290 HydrophobicContact CD2-CD1 3.97Å; Y163-F290 HydrophobicContact CD2-CD2 4.07Å; Y163-F290 AromaticContact CD2-CG 3.62Å; Y163-F290 HydrophobicContact CD2-CG 3.62Å; Y163-F290 HydrophobicContact CE2-CB 4.15Å; Y163-F290 HydrophobicContact CG-CD1 4.36Å; Y163-F290 HydrophobicContact CG-CG 4.39Å; A166-F290 HydrophobicContact CB-CE2 4.1Å; D286-F290 PolarHBondContact O-N 2.98Å; F287-F290 HydrophobicContact CD2-CD1 4.28Å; F287-F290 HydrophobicContact CE2-CD1 4.14Å; F287-F290 PolarHBondContact O-N 3.3Å; F290-R292 VanDerWaalsContact C-N 3.28Å; F290-R292 PolarHBondContact O-N 3Å; F290-S293 PolarHBondContact O-N 3.26Å; F290-S293 PolarHBondContact O-OG 3.44Å; F290-F294 HydrophobicContact CD1-CB 4.45Å; F290-F294 HydrophobicContact CE1-CB 4.16Å; F290-F294 HydrophobicContact CE1-CD2 4.11Å; F290-F294 HydrophobicContact CE1-CG 4.35Å; F290-F294 HydrophobicContact CZ-CD2 4.11Å; F290-F294 VanDerWaalsContact O-CB 3.3Å; F290-F294 WeakPolarHBondContact O-CB 3.48Å; F290-F294 PolarHBondContact O-N 3.33Å
291	L	82.1	Confident	68.8	Low	10 Å²	10	58.5 Å²	58.5	5%	0.052	35%	0.35	C	S	.	.	H	α-helix	trans	-61.8	-37.1	178.3	-74.5	174.1	0	0	0	112.2	I159 L250 F254 F287 E289 S293 F294 D295	I159-L291 HydrophobicContact CG2-CD2 3.77Å; L250-L291 HydrophobicContact CB-CD1 3.89Å; L250-L291 HydrophobicContact CB-CD2 4.41Å; L250-L291 HydrophobicContact CD1-CD1 4.34Å; L250-L291 HydrophobicContact CD1-CD2 3.87Å; F254-L291 HydrophobicContact CD2-CD1 4.29Å; F287-L291 HydrophobicContact CD1-CD1 3.94Å; F287-L291 HydrophobicContact CD1-CG 4.33Å; F287-L291 HydrophobicContact CE1-CD1 3.61Å; F287-L291 HydrophobicContact CE1-CD2 4.26Å; F287-L291 HydrophobicContact CE1-CG 3.99Å; F287-L291 HydrophobicContact CE2-CD2 4.33Å; F287-L291 HydrophobicContact CE2-CG 4.34Å; F287-L291 HydrophobicContact CZ-CD1 4.09Å; F287-L291 HydrophobicContact CZ-CD2 3.88Å; F287-L291 HydrophobicContact CZ-CG 4Å; F287-L291 WeakPolarHBondContact O-CG 3.42Å; F287-L291 PolarHBondContact O-N 3.21Å; E289-L291 PolarHBondContact O-N 2.88Å; L291-S293 VanDerWaalsContact C-N 3.34Å; L291-S293 PolarHBondContact O-N 2.83Å; L291-F294 PolarHBondContact O-N 3.08Å; L291-D295 PolarHBondContact O-N 3.41Å
292	R	76.7	Confident	67.2	Low	158 Å²	158	59.9 Å²	59.9	60%	0.596	36%	0.357	S	S	*	.	H	α-helix	trans	-63.9	-39.4	175.6	-67.8	177.2	-169.3	153.7	3.8	112.1	R288 E289 F290 A296	R288-R292 WeakPolarHBondContact O-CG 3.25Å; R288-R292 PolarHBondContact O-N 3.01Å; E289-R292 PolarHBondContact O-N 3.41Å; F290-R292 VanDerWaalsContact C-N 3.28Å; F290-R292 PolarHBondContact O-N 3Å; R292-A296 WeakPolarHBondContact O-CB 3.33Å; R292-A296 PolarHBondContact O-N 2.75Å
293	S	77.3	Confident	65.8	Low	58 Å²	58	64.8 Å²	64.8	41%	0.406	37%	0.369	S	S	.	.	H	α-helix	trans	-74.6	-35.5	175.8	67.3	0	0	0	0	111.8	E289 F290 L291 A296 T297	E289-S293 PolarHBondContact O-N 3.46Å; F290-S293 PolarHBondContact O-N 3.26Å; F290-S293 PolarHBondContact O-OG 3.44Å; L291-S293 VanDerWaalsContact C-N 3.34Å; L291-S293 PolarHBondContact O-N 2.83Å; S293-A296 CarbonylContact O-C 3.46Å; S293-A296 PolarHBondContact O-N 3.34Å; S293-T297 WeakPolarHBondContact O-CB 3.34Å; S293-T297 PolarHBondContact O-N 3.18Å; S293-T297 PolarHBondContact O-OG1 3.03Å
294	F	77.2	Confident	64.1	Low	11 Å²	11	66.4 Å²	66.4	5%	0.048	38%	0.381	C	S	.	.	H	α-helix	trans	-60.3	-49.6	176.1	-176.9	-99.1	0	0	0	111.6	I159 M162 F290 L291 A296 T297 I298	I159-F294 HydrophobicContact CD1-CE1 3.92Å; I159-F294 HydrophobicContact CD1-CZ 4.26Å; I159-F294 HydrophobicContact CG1-CE1 3.86Å; I159-F294 HydrophobicContact CG1-CE2 4.45Å; I159-F294 HydrophobicContact CG1-CZ 3.7Å; I159-F294 HydrophobicContact CG2-CE1 4.47Å; M162-F294 HydrophobicContact CE-CD2 4.44Å; M162-F294 HydrophobicContact CE-CE2 3.74Å; M162-F294 HydrophobicContact SD-CE2 3.83Å; M162-F294 HydrophobicContact SD-CZ 4.48Å; F290-F294 HydrophobicContact CD1-CB 4.45Å; F290-F294 HydrophobicContact CE1-CB 4.16Å; F290-F294 HydrophobicContact CE1-CD2 4.11Å; F290-F294 HydrophobicContact CE1-CG 4.35Å; F290-F294 HydrophobicContact CZ-CD2 4.11Å; F290-F294 VanDerWaalsContact O-CB 3.3Å; F290-F294 WeakPolarHBondContact O-CB 3.48Å; F290-F294 PolarHBondContact O-N 3.33Å; L291-F294 PolarHBondContact O-N 3.08Å; F294-A296 VanDerWaalsContact C-N 3.29Å; F294-A296 PolarHBondContact O-N 3.36Å; F294-T297 PolarHBondContact O-N 3.07Å; F294-T297 VanDerWaalsContact O-N 3.12Å; F294-I298 HydrophobicContact CD1-CD1 3.94Å; F294-I298 HydrophobicContact CD2-CD1 4.25Å; F294-I298 HydrophobicContact CE1-CD1 3.34Å; F294-I298 HydrophobicContact CE1-CG1 4.5Å; F294-I298 HydrophobicContact CE2-CD1 3.68Å; F294-I298 HydrophobicContact CG-CD1 4.37Å; F294-I298 HydrophobicContact CZ-CD1 3.19Å; F294-I298 HydrophobicContact CZ-CG1 4.43Å; F294-I298 WeakPolarHBondContact O-CG1 3.49Å; F294-I298 PolarHBondContact O-N 3.29Å
295	D	68.4	Low	62.6	Low	69 Å²	69	71.2 Å²	71.2	37%	0.369	41%	0.406	S	S	.	.	H	α-helix	trans	-63.4	-36.7	176.8	-69.9	-19	0	0	0	111.6	S247 L291 A299	S247-D295 WeakPolarHBondContact CB-OD1 3.35Å; L291-D295 PolarHBondContact O-N 3.41Å; D295-A299 PolarHBondContact O-N 3.23Å
296	A	60.6	Low	61.1	Low	69 Å²	69	69 Å²	69	57%	0.57	40%	0.402	S	S	*	.	H	α-helix	trans	-68.6	-31.8	174.6	0	0	0	0	0	113	R292 S293 F294 A299	R292-A296 WeakPolarHBondContact O-CB 3.33Å; R292-A296 PolarHBondContact O-N 2.75Å; S293-A296 CarbonylContact O-C 3.46Å; S293-A296 PolarHBondContact O-N 3.34Å; F294-A296 VanDerWaalsContact C-N 3.29Å; F294-A296 PolarHBondContact O-N 3.36Å; A296-A299 WeakPolarHBondContact O-CB 3.47Å
297	T	57.9	Low	59.4	Low	119 Å²	119	68.8 Å²	68.8	73%	0.73	40%	0.401	S	S	*	.	H	α-helix	trans	-82.2	-25.6	-179.5	-46.7	0	0	0	0	111.8	S293 F294 A299	S293-T297 WeakPolarHBondContact O-CB 3.34Å; S293-T297 PolarHBondContact O-N 3.18Å; S293-T297 PolarHBondContact O-OG1 3.03Å; F294-T297 PolarHBondContact O-N 3.07Å; F294-T297 VanDerWaalsContact O-N 3.12Å; T297-A299 VanDerWaalsContact C-N 3.31Å
298	I	55	Low	57.5	Low	61 Å²	61	70.6 Å²	70.6	31%	0.313	41%	0.413	S	S	.	.	S	Bend	trans	-85.8	-1.4	173.5	-66.6	-175.3	0	0	0	112.1	F294 A300 P301	F294-I298 HydrophobicContact CD1-CD1 3.94Å; F294-I298 HydrophobicContact CD2-CD1 4.25Å; F294-I298 HydrophobicContact CE1-CD1 3.34Å; F294-I298 HydrophobicContact CE1-CG1 4.5Å; F294-I298 HydrophobicContact CE2-CD1 3.68Å; F294-I298 HydrophobicContact CG-CD1 4.37Å; F294-I298 HydrophobicContact CZ-CD1 3.19Å; F294-I298 HydrophobicContact CZ-CG1 4.43Å; F294-I298 WeakPolarHBondContact O-CG1 3.49Å; F294-I298 PolarHBondContact O-N 3.29Å; I298-A300 WeakPolarHBondContact O-CA 3.27Å; I298-A300 PolarHBondContact O-N 3.21Å; I298-P301 HydrophobicContact CG2-CG 4.25Å; I298-P301 WeakPolarHBondContact O-CD 3.34Å
299	A	39.9	Very low	55.9	Low	80 Å²	80	76.2 Å²	76.2	66%	0.661	44%	0.439	S	S	*	.			trans	-46.8	107.2	172.5	0	0	0	0	0	111.6	D295 A296 T297	D295-A299 PolarHBondContact O-N 3.23Å; A296-A299 WeakPolarHBondContact O-CB 3.47Å; T297-A299 VanDerWaalsContact C-N 3.31Å
300	A	30.9	Very low	53.9	Low	87 Å²	87	74.4 Å²	74.4	72%	0.719	44%	0.438	S	S	*	.			cis	-143.3	125.7	-0.5	0	0	0	0	0	108.5	I298	I298-A300 WeakPolarHBondContact O-CA 3.27Å; I298-A300 PolarHBondContact O-N 3.21Å
301	P	34.3	Very low	51.9	Low	71 Å²	71	73.8 Å²	73.8	46%	0.461	44%	0.436	S	S	.	.	S	Bend	trans	-69.7	130.6	146.8	30.4	-25.2	0	0	0	104.6	I298 K303 D305	I298-P301 HydrophobicContact CG2-CG 4.25Å; I298-P301 WeakPolarHBondContact O-CD 3.34Å; P301-K303 PolarHBondContact O-N 2.83Å; P301-D305 HydrophobicContact CB-CB 4.28Å; P301-D305 WeakPolarHBondContact CB-OD2 3.35Å
302	S	36.5	Very low	50.1	Low	62 Å²	62	76.6 Å²	76.6	43%	0.434	45%	0.449	S	S	.	.			trans	-39.5	132.1	172.2	62.3	0	0	0	0	109.2	S304 D305	S302-S304 WeakPolarHBondContact CB-OG 3.46Å; S302-S304 PolarHBondContact O-N 2.87Å; S302-S304 PolarHBondContact OG-OG 2.95Å; S302-D305 PolarHBondContact O-N 3.31Å
303	K	44.9	Very low	48.4	Very low	173 Å²	173	72.7 Å²	72.7	75%	0.752	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	-3.9	179.9	-69.2	-174.6	175.3	-170.5	0	114	P301	P301-K303 PolarHBondContact O-N 2.83Å
304	S	44.1	Very low	46.5	Very low	34 Å²	34	74.4 Å²	74.4	24%	0.238	46%	0.455	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-16.3	172.2	33.8	0	0	0	0	116.6	S302 G306 L307 Q312	S302-S304 WeakPolarHBondContact CB-OG 3.46Å; S302-S304 PolarHBondContact O-N 2.87Å; S302-S304 PolarHBondContact OG-OG 2.95Å; S304-G306 PolarHBondContact O-N 3.4Å; S304-G306 VanDerWaalsContact O-N 3.16Å; S304-L307 PolarHBondContact O-N 2.94Å; S304-L307 VanDerWaalsContact O-N 3.14Å; S304-Q312 VanDerWaalsContact CB-NE2 3.3Å; S304-Q312 PolarHBondContact O-NE2 2.89Å; S304-Q312 VanDerWaalsContact O-NE2 3.16Å
305	D	43.2	Very low	44.8	Very low	105 Å²	105	77.1 Å²	77.1	56%	0.561	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	115.9	-175.5	-86.7	-28	0	0	0	111.3	P301 S302	P301-D305 HydrophobicContact CB-CB 4.28Å; P301-D305 WeakPolarHBondContact CB-OD2 3.35Å; S302-D305 PolarHBondContact O-N 3.31Å
306	G	45.4	Very low	43	Very low	46 Å²	46	76.8 Å²	76.8	47%	0.474	48%	0.483	S	S	.	.	T	Hydrogen-bonded Turn	trans	92.1	-6	-177	0	0	0	0	0	115.4	R222 S304	R222-G306 PolarHBondContact NH2-O 2.93Å; S304-G306 PolarHBondContact O-N 3.4Å; S304-G306 VanDerWaalsContact O-N 3.16Å
307	L	46.4	Very low	41.5	Very low	26 Å²	26	82.4 Å²	82.4	14%	0.136	50%	0.497	C	S	.	.	S	Bend	trans	-95	133	170.4	-121.4	72.9	0	0	0	109.9	I218 S304 L311 Q312 L315	I218-L307 HydrophobicContact CD1-CD1 3.83Å; I218-L307 HydrophobicContact CD1-CD2 4.08Å; I218-L307 HydrophobicContact CD1-CG 4.23Å; I218-L307 HydrophobicContact CG2-CD1 4.29Å; S304-L307 PolarHBondContact O-N 2.94Å; S304-L307 VanDerWaalsContact O-N 3.14Å; L307-L311 HydrophobicContact CD2-CB 3.74Å; L307-L311 HydrophobicContact CD2-CD1 4.47Å; L307-L311 HydrophobicContact CG-CB 4.05Å; L307-L311 HydrophobicContact CG-CD1 4.24Å; L307-Q312 HydrophobicContact CB-CG 4.39Å; L307-Q312 PolarHBondContact O-NE2 3.41Å; L307-L315 HydrophobicContact CD2-CD1 3.68Å
308	P	43.4	Very low	40.2	Very low	38 Å²	38	83.8 Å²	83.8	25%	0.247	50%	0.5	C	S	.	.			trans	-57.2	144.5	172.7	-7.9	12.1	0	0	0	111.4	P145 C310 L311 Q312	P145-P308 WeakPolarHBondContact O-CG 3.28Å; P308-C310 PolarHBondContact O-N 3.22Å; P308-L311 HydrophobicContact CG-CD1 4.2Å; P308-L311 WeakPolarHBondContact O-CB 3.44Å; P308-L311 PolarHBondContact O-N 3.42Å; P308-Q312 PolarHBondContact O-N 3.26Å
309	K	43.8	Very low	38.8	Very low	181 Å²	181	84.5 Å²	84.5	79%	0.787	52%	0.522	S	S	*	.	H	α-helix	trans	-51.1	-33.8	-178.8	-70.3	-176.9	176.4	-178.7	0	113.8	L311 Q312	K309-L311 PolarHBondContact O-N 2.87Å; K309-Q312 PolarHBondContact O-N 3.12Å
310	C	39.3	Very low	38.3	Very low	82 Å²	82	88.8 Å²	88.8	55%	0.554	53%	0.534	S	S	*	.	H	α-helix	trans	-65.8	-25.1	178.3	60.7	0	0	0	0	113.7	P308	P308-C310 PolarHBondContact O-N 3.22Å
311	L	43.4	Very low	38.1	Very low	9 Å²	9	92.5 Å²	92.5	5%	0.047	54%	0.542	C	S	.	.	H	α-helix	trans	-85.4	-24.7	177.1	-88.1	173.8	0	0	0	113	L146 I218 L307 P308 K309 A313 N314 P374 V376	L146-L311 HydrophobicContact CD2-CD1 4.07Å; I218-L311 HydrophobicContact CD1-CD1 4.19Å; L307-L311 HydrophobicContact CD2-CB 3.74Å; L307-L311 HydrophobicContact CD2-CD1 4.47Å; L307-L311 HydrophobicContact CG-CB 4.05Å; L307-L311 HydrophobicContact CG-CD1 4.24Å; P308-L311 HydrophobicContact CG-CD1 4.2Å; P308-L311 WeakPolarHBondContact O-CB 3.44Å; P308-L311 PolarHBondContact O-N 3.42Å; K309-L311 PolarHBondContact O-N 2.87Å; L311-A313 VanDerWaalsContact C-N 3.31Å; L311-A313 PolarHBondContact O-N 3.13Å; L311-N314 PolarHBondContact O-N 2.81Å; L311-P374 HydrophobicContact CD2-CG 4.48Å; L311-V376 HydrophobicContact CD1-CG1 4.03Å; L311-V376 HydrophobicContact CD1-CG2 4.03Å; L311-V376 HydrophobicContact CD2-CG2 3.26Å; L311-V376 HydrophobicContact CG-CG1 4.22Å; L311-V376 HydrophobicContact CG-CG2 3.72Å
312	Q	44.4	Very low	37.8	Very low	70 Å²	70	100.6 Å²	100.6	33%	0.327	56%	0.563	S	S	.	*	H	α-helix	trans	-67.5	-31.7	179.9	-61	173.5	10.4	0	0	111.9	S304 L307 P308 K309 N314 L315	S304-Q312 VanDerWaalsContact CB-NE2 3.3Å; S304-Q312 PolarHBondContact O-NE2 2.89Å; S304-Q312 VanDerWaalsContact O-NE2 3.16Å; L307-Q312 HydrophobicContact CB-CG 4.39Å; L307-Q312 PolarHBondContact O-NE2 3.41Å; P308-Q312 PolarHBondContact O-N 3.26Å; K309-Q312 PolarHBondContact O-N 3.12Å; Q312-N314 VanDerWaalsContact C-N 3.3Å; Q312-N314 PolarHBondContact O-N 3.12Å; Q312-L315 PolarHBondContact O-N 3.49Å
313	A	40	Very low	37.3	Very low	75 Å²	75	103.4 Å²	103.4	62%	0.62	58%	0.583	S	S	*	*	G	3₁₀ helix	trans	-65.6	-29.1	179.9	0	0	0	0	0	113.7	L311 L315	L311-A313 VanDerWaalsContact C-N 3.31Å; L311-A313 PolarHBondContact O-N 3.13Å; A313-L315 VanDerWaalsContact C-N 3.32Å; A313-L315 PolarHBondContact O-N 3.39Å
314	N	37.5	Very low	36.6	Very low	95 Å²	95	100.8 Å²	100.8	51%	0.508	59%	0.586	S	S	.	*	G	3₁₀ helix	trans	-85.7	-2.7	-177	-68.9	-49.9	0	0	0	113.9	L311 Q312 P374	L311-N314 PolarHBondContact O-N 2.81Å; Q312-N314 VanDerWaalsContact C-N 3.3Å; Q312-N314 PolarHBondContact O-N 3.12Å; N314-P374 HydrophobicContact CB-CG 4.15Å; N314-P374 WeakPolarHBondContact ND2-CG 3.41Å
315	L	40.9	Very low	35.7	Very low	67 Å²	67	109.1 Å²	109.1	35%	0.351	62%	0.618	S	S	.	*	G	3₁₀ helix	trans	-101.7	2.7	-176.7	-68.5	165.3	0	0	0	113	V214 L307 Q312 A313	V214-L315 HydrophobicContact CG1-CD2 4.35Å; L307-L315 HydrophobicContact CD2-CD1 3.68Å; Q312-L315 PolarHBondContact O-N 3.49Å; A313-L315 VanDerWaalsContact C-N 3.32Å; A313-L315 PolarHBondContact O-N 3.39Å
316	G	30.2	Very low	35	Very low	63 Å²	63	109.1 Å²	109.1	65%	0.649	63%	0.633	S	S	*	*			trans	-118.1	8.3	-163.2	0	0	0	0	0	118.7
317	E	29.9	Very low	34.1	Very low	187 Å²	187	112.6 Å²	112.6	87%	0.874	65%	0.65	S	S	*	*			trans	-109	85.3	179.6	-70.8	-172.1	166	0	0	111.7
318	N	29.9	Very low	33.4	Very low	148 Å²	148	117 Å²	117	79%	0.791	68%	0.683	S	S	*	*			trans	-140.1	108.1	162.2	-94.9	-31.5	0	0	0	109.5
319	G	26.3	Very low	32.6	Very low	75 Å²	75	124.9 Å²	124.9	77%	0.773	71%	0.713	S	S	*	*			trans	92.1	73.7	150.9	0	0	0	0	0	117.7
320	D	28.8	Very low	31.8	Very low	171 Å²	171	121.9 Å²	121.9	91%	0.914	71%	0.712	S	S	*	*			trans	-112.6	98	148.4	-101.7	-24.2	0	0	0	110.3	R322	D320-R322 PolarHBondContact O-N 3.06Å
321	N	26.3	Very low	31.4	Very low	164 Å²	164	123.2 Å²	123.2	88%	0.877	72%	0.723	S	S	*	*			trans	-66.2	110.7	163.2	-91	-34	0	0	0	109.3
322	R	29.6	Very low	30.8	Very low	242 Å²	242	129 Å²	129	91%	0.913	76%	0.759	S	S	*	*			trans	-133.4	98.5	149.9	-79.4	-169	176.9	178.4	0	111.1	D320	D320-R322 PolarHBondContact O-N 3.06Å
323	S	25.4	Very low	30.1	Very low	121 Å²	121	136.8 Å²	136.8	85%	0.846	79%	0.785	S	S	*	*			trans	-52.9	127.8	160.2	53.9	0	0	0	0	111.4
324	S	30.9	Very low	29.7	Very low	118 Å²	118	144.1 Å²	144.1	83%	0.825	80%	0.797	S	S	*	*			trans	-137.1	110.7	149.1	53.6	0	0	0	0	109.1
325	K	24.9	Very low	29.3	Very low	208 Å²	208	150 Å²	150	90%	0.904	81%	0.812	S	S	*	*			trans	-72.7	127.9	169.5	-79.6	171.8	172.2	172.4	0	108.1
326	A	29	Very low	28.8	Very low	106 Å²	106	151.3 Å²	151.3	88%	0.876	83%	0.827	S	S	*	*			trans	-141.8	105.4	154.8	0	0	0	0	0	108.9
327	S	25.6	Very low	29	Very low	119 Å²	119	154.8 Å²	154.8	83%	0.832	84%	0.835	S	S	*	*			trans	-92.5	126.8	175	50.9	0	0	0	0	110.2
328	S	31.8	Very low	29.3	Very low	118 Å²	118	153.3 Å²	153.3	83%	0.825	83%	0.832	S	S	*	*			trans	-156	110.5	154.2	56.9	0	0	0	0	110.1
329	K	25.4	Very low	29.9	Very low	203 Å²	203	151.3 Å²	151.3	88%	0.883	83%	0.825	S	S	*	*			trans	-75.6	158.2	161.9	-75.2	178.1	175	175	0	108.6
330	P	28.6	Very low	30.4	Very low	118 Å²	118	158.1 Å²	158.1	77%	0.766	83%	0.828	S	S	*	*				-145.1	150.1	108.5	30.4	-11.7	0	0	0	117.2
331	S	30.6	Very low	30.8	Very low	111 Å²	111	158.7 Å²	158.7	78%	0.776	82%	0.822	S	S	*	*			trans	61.3	110	140.8	71.5	0	0	0	0	122.2
332	T	29.5	Very low	31.3	Very low	131 Å²	131	154 Å²	154	80%	0.804	81%	0.806	S	S	*	*			trans	-58.2	139.9	151	49.3	0	0	0	0	114.2
333	R	30.5	Very low	31.6	Very low	233 Å²	233	150.6 Å²	150.6	88%	0.879	80%	0.798	S	S	*	*				157.2	144.9	117.3	-94.8	-178.7	167.2	175.3	-3.2	112.8
334	R	31	Very low	32.2	Very low	228 Å²	228	152.3 Å²	152.3	86%	0.86	79%	0.793	S	S	*	*			trans	90	126.7	170	-61.5	176.6	173	-178	-1.3	113.2
335	R	30.1	Very low	32.5	Very low	218 Å²	218	150.2 Å²	150.2	82%	0.823	78%	0.782	S	S	*	*			cis	-157.1	135.6	15.8	-126.7	167.7	176.8	170.4	-4.8	109.3
336	S	30.9	Very low	33.1	Very low	95 Å²	95	142.6 Å²	142.6	66%	0.664	76%	0.759	S	S	*	*			trans	-46.2	139.5	161.3	47.9	0	0	0	0	112.9
337	V	34.7	Very low	33.5	Very low	137 Å²	137	144.8 Å²	144.8	83%	0.83	76%	0.756	S	S	*	*	S	Bend	trans	176.2	-15.9	135.9	155.1	0	0	0	0	111.3
338	L	36	Very low	34.1	Very low	155 Å²	155	148.1 Å²	148.1	81%	0.812	76%	0.755	S	S	*	*	S	Bend	trans	-92.9	-3.6	-179.6	-80.5	155	0	0	0	116.3
339	T	41.5	Very low	34.6	Very low	106 Å²	106	148.7 Å²	148.7	65%	0.65	75%	0.745	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.6	-0.8	-169	47.3	0	0	0	0	115.9
340	R	36.1	Very low	35.4	Very low	219 Å²	219	144.8 Å²	144.8	83%	0.826	73%	0.733	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.1	-35.1	174.3	-99.4	179.7	171.7	161.3	-3.3	114	K343 Q344	R340-K343 PolarHBondContact O-N 3.42Å; R340-Q344 PolarHBondContact O-N 3.31Å
341	K	37.3	Very low	36.3	Very low	182 Å²	182	143.6 Å²	143.6	79%	0.791	72%	0.717	S	S	*	*	H	α-helix	trans	-74.9	-33.3	175	-78	-172.8	173.2	-178.8	0	112.8	K343 Q344 A345	K341-K343 VanDerWaalsContact C-N 3.28Å; K341-K343 PolarHBondContact O-N 3.04Å; K341-Q344 PolarHBondContact O-N 2.74Å; K341-A345 PolarHBondContact O-N 2.95Å
342	A	38.5	Very low	37.8	Very low	66 Å²	66	145.2 Å²	145.2	55%	0.545	72%	0.717	S	S	.	*	H	α-helix	trans	-68.2	-26.5	173.5	0	0	0	0	0	113.1	A346	A342-A346 PolarHBondContact O-N 3.47Å
343	K	35.6	Very low	39.7	Very low	170 Å²	170	141.2 Å²	141.2	74%	0.739	69%	0.69	S	S	*	*	H	α-helix	trans	-84	-21.9	178.7	-140	175.6	-174.7	-175.8	0	113.5	R340 K341	R340-K343 PolarHBondContact O-N 3.42Å; K341-K343 VanDerWaalsContact C-N 3.28Å; K341-K343 PolarHBondContact O-N 3.04Å
344	Q	36.8	Very low	41.9	Very low	158 Å²	158	133.9 Å²	133.9	74%	0.738	67%	0.673	S	S	*	*	H	α-helix	trans	-86.2	-20.4	171.7	-75.4	177	-16.5	0	0	113	R340 K341	R340-Q344 PolarHBondContact O-N 3.31Å; K341-Q344 PolarHBondContact O-N 2.74Å
345	A	37.9	Very low	44.2	Very low	73 Å²	73	127.1 Å²	127.1	60%	0.603	65%	0.654	S	S	*	*	H	α-helix	trans	-81.7	-20.5	171.7	0	0	0	0	0	113.4	K341 D347	K341-A345 PolarHBondContact O-N 2.95Å; A345-D347 VanDerWaalsContact C-N 3.34Å
346	A	38.1	Very low	46.6	Very low	49 Å²	49	120 Å²	120	41%	0.405	64%	0.642	S	S	.	*	G	3₁₀ helix	trans	-74.6	-20.8	178.6	0	0	0	0	0	113.5	A342 K348 Q349	A342-A346 PolarHBondContact O-N 3.47Å; A346-K348 PolarHBondContact O-N 3.26Å; A346-Q349 PolarHBondContact O-N 2.86Å
347	D	36.5	Very low	49	Very low	152 Å²	152	117.2 Å²	117.2	81%	0.813	62%	0.619	S	S	*	*	G	3₁₀ helix	trans	-83.7	12	-177.6	-119	-1.9	0	0	0	114	A345	A345-D347 VanDerWaalsContact C-N 3.34Å
348	K	39.4	Very low	51.3	Low	189 Å²	189	115.6 Å²	115.6	82%	0.822	60%	0.598	S	S	*	*	G	3₁₀ helix	trans	-127.6	34.4	170.9	-72.1	-171.3	176.8	-175.6	0	111.7	A346 D350	A346-K348 PolarHBondContact O-N 3.26Å; K348-D350 PolarHBondContact O-N 3.02Å
349	Q	41.6	Very low	53.7	Low	130 Å²	130	114.7 Å²	114.7	61%	0.607	59%	0.585	S	S	*	*			trans	-72.9	85.4	164.4	-80.8	-178.4	-42.8	0	0	108.6	A346 H351	A346-Q349 PolarHBondContact O-N 2.86Å; Q349-H351 WeakPolarHBondContact CB-NE2 3.11Å; Q349-H351 PolarHBondContact O-CD2 2.8Å; Q349-H351 PolarHBondContact O-N 3.31Å
350	D	41.6	Very low	55.7	Low	120 Å²	120	114 Å²	114	64%	0.642	58%	0.578	S	S	*	*			trans	-63.9	86.3	160.2	-152.4	2.8	0	0	0	106.3	K348 D352	K348-D350 PolarHBondContact O-N 3.02Å; D350-D352 VanDerWaalsContact C-N 3.29Å; D350-D352 PolarHBondContact O-N 3.33Å
351	H	48.2	Very low	58	Low	93 Å²	93	103.6 Å²	103.6	43%	0.431	54%	0.538	S	S	.	.			trans	-71.4	92.2	174.9	-73.2	-74.6	0	0	0	107.1	Q349 I353 D355	Q349-H351 WeakPolarHBondContact CB-NE2 3.11Å; Q349-H351 PolarHBondContact O-CD2 2.8Å; Q349-H351 PolarHBondContact O-N 3.31Å; H351-I353 PolarHBondContact O-N 2.9Å; H351-D355 IonicContact CE1-OD1 2.71Å; H351-D355 IonicContact ND1-OD1 3.92Å
352	D	62.7	Low	60.3	Low	146 Å²	146	98.6 Å²	98.6	78%	0.781	52%	0.516	S	S	*	.	S	Bend	trans	-49.5	-22.4	171.1	-76	-35.1	0	0	0	112.1	D350	D350-D352 VanDerWaalsContact C-N 3.29Å; D350-D352 PolarHBondContact O-N 3.33Å
353	I	68.1	Low	62.4	Low	46 Å²	46	99.1 Å²	99.1	24%	0.236	51%	0.51	C	S	.	.	S	Bend	trans	-123.6	118.1	178.3	-57	156.6	0	0	0	108.1	H351 D355 L357 W358 L579	H351-I353 PolarHBondContact O-N 2.9Å; I353-D355 PolarHBondContact O-N 3.2Å; I353-L357 HydrophobicContact CG2-CB 4.34Å; I353-L357 HydrophobicContact CG2-CD2 4.15Å; I353-L357 HydrophobicContact CG2-CG 4.27Å; I353-W358 HydrophobicContact CG2-CB 4.24Å; I353-L579 HydrophobicContact CD1-CD2 3.38Å; I353-L579 HydrophobicContact CG1-CD1 4.5Å; I353-L579 HydrophobicContact CG1-CD2 3.93Å; I353-L579 HydrophobicContact CG2-CD1 3.84Å
354	P	76.9	Confident	64.5	Low	80 Å²	80	92.5 Å²	92.5	52%	0.519	48%	0.482	S	S	.	.			trans	-54.9	134.3	174	-25	33.7	0	0	0	111.6	A356 L357 W358	P354-A356 PolarHBondContact O-N 3.21Å; P354-A356 VanDerWaalsContact O-N 3.14Å; P354-L357 HydrophobicContact CB-CB 4.31Å; P354-L357 WeakPolarHBondContact O-CA 3.31Å; P354-L357 WeakPolarHBondContact O-CB 3.43Å; P354-L357 PolarHBondContact O-N 2.94Å; P354-W358 PolarHBondContact O-N 2.66Å
355	D	78.8	Confident	66.5	Low	85 Å²	85	86 Å²	86	46%	0.455	45%	0.451	S	S	.	.	H	α-helix	trans	-52.9	-40.1	-177.6	-74.8	-25.9	0	0	0	112.9	H351 I353 L357 W358 Y359	H351-D355 IonicContact CE1-OD1 2.71Å; H351-D355 IonicContact ND1-OD1 3.92Å; I353-D355 PolarHBondContact O-N 3.2Å; D355-L357 VanDerWaalsContact C-N 3.32Å; D355-L357 PolarHBondContact O-N 3.13Å; D355-W358 WeakPolarHBondContact O-CB 3.34Å; D355-W358 PolarHBondContact O-N 3.15Å; D355-W358 VanDerWaalsContact O-N 3.14Å; D355-Y359 HydrophobicContact CB-CD2 4.48Å; D355-Y359 HydrophobicContact CB-CE2 4.36Å; D355-Y359 WeakPolarHBondContact O-CD2 3.38Å; D355-Y359 PolarHBondContact O-N 2.91Å
356	A	81.1	Confident	68.5	Low	68 Å²	68	86 Å²	86	56%	0.562	44%	0.438	S	S	*	.	H	α-helix	trans	-59	-43	176	0	0	0	0	0	112.2	P354 W358 Y359 D360	P354-A356 PolarHBondContact O-N 3.21Å; P354-A356 VanDerWaalsContact O-N 3.14Å; A356-W358 VanDerWaalsContact C-N 3.33Å; A356-W358 PolarHBondContact O-N 3.38Å; A356-Y359 PolarHBondContact O-N 3.15Å; A356-D360 WeakPolarHBondContact O-CB 3.41Å; A356-D360 VanDerWaalsContact O-CG 3.27Å; A356-D360 PolarHBondContact O-N 2.74Å
357	L	82.3	Confident	70	Confident	37 Å²	37	89.6 Å²	89.6	19%	0.194	44%	0.441	C	S	.	.	H	α-helix	trans	-64.8	-40.1	175.9	177.9	62.7	0	0	0	111	I353 P354 D355 D360 V361 L579 R582 L583	I353-L357 HydrophobicContact CG2-CB 4.34Å; I353-L357 HydrophobicContact CG2-CD2 4.15Å; I353-L357 HydrophobicContact CG2-CG 4.27Å; P354-L357 HydrophobicContact CB-CB 4.31Å; P354-L357 WeakPolarHBondContact O-CA 3.31Å; P354-L357 WeakPolarHBondContact O-CB 3.43Å; P354-L357 PolarHBondContact O-N 2.94Å; D355-L357 VanDerWaalsContact C-N 3.32Å; D355-L357 PolarHBondContact O-N 3.13Å; L357-D360 PolarHBondContact O-N 3.17Å; L357-V361 HydrophobicContact CD1-CG2 3.91Å; L357-V361 HydrophobicContact CG-CG2 4.33Å; L357-V361 VanDerWaalsContact O-CB 3.32Å; L357-V361 WeakPolarHBondContact O-CB 3.35Å; L357-V361 WeakPolarHBondContact O-CG2 3.44Å; L357-V361 PolarHBondContact O-N 3.02Å; L357-L579 HydrophobicContact CD2-CD1 4.08Å; L357-L579 HydrophobicContact CG-CD1 4.12Å; L357-R582 HydrophobicContact CD1-CB 3.99Å; L357-L583 HydrophobicContact CD2-CD2 3.48Å; L357-L583 VanDerWaalsContact CD2-CD2 3.48Å; L357-L583 HydrophobicContact CD2-CG 4.09Å
358	W	83.1	Confident	71.5	Confident	104 Å²	104	87.4 Å²	87.4	39%	0.394	42%	0.421	S	S	.	.	H	α-helix	trans	-60.1	-50.1	175.4	174.7	-93.8	0	0	0	111.9	I353 P354 D355 A356 D360 V361 K362 F575	I353-W358 HydrophobicContact CG2-CB 4.24Å; P354-W358 PolarHBondContact O-N 2.66Å; D355-W358 WeakPolarHBondContact O-CB 3.34Å; D355-W358 PolarHBondContact O-N 3.15Å; D355-W358 VanDerWaalsContact O-N 3.14Å; A356-W358 VanDerWaalsContact C-N 3.33Å; A356-W358 PolarHBondContact O-N 3.38Å; W358-D360 PolarHBondContact O-N 3.1Å; W358-V361 PolarHBondContact O-N 3.11Å; W358-K362 WeakPolarHBondContact O-CB 3.35Å; W358-K362 PolarHBondContact O-N 3.47Å; W358-F575 HydrophobicContact CD2-CZ 4.05Å; W358-F575 AromaticContact CE3-CE1 3.75Å; W358-F575 HydrophobicContact CE3-CE1 3.75Å; W358-F575 AromaticContact CE3-CZ 3.65Å; W358-F575 HydrophobicContact CE3-CZ 3.65Å; W358-F575 HydrophobicContact CH2-CD1 4.48Å; W358-F575 AromaticContact CH2-CE1 3.58Å; W358-F575 HydrophobicContact CH2-CE1 3.58Å; W358-F575 AromaticContact CH2-CZ 3.59Å; W358-F575 HydrophobicContact CH2-CZ 3.59Å; W358-F575 HydrophobicContact CZ2-CE1 4.43Å; W358-F575 AromaticContact CZ2-CZ 3.99Å; W358-F575 HydrophobicContact CZ2-CZ 3.99Å; W358-F575 HydrophobicContact CZ3-CD1 4.3Å; W358-F575 AromaticContact CZ3-CE1 3.19Å; W358-F575 HydrophobicContact CZ3-CE1 3.19Å; W358-F575 AromaticContact CZ3-CZ 3.43Å; W358-F575 HydrophobicContact CZ3-CZ 3.43Å; W358-F575 VanDerWaalsContact CZ3-CZ 3.43Å
359	Y	85.5	Confident	72.8	Confident	136 Å²	136	81.4 Å²	81.4	53%	0.533	40%	0.397	S	S	.	.	H	α-helix	trans	-64.3	-39.8	178.9	-75.2	-69.4	0	0	0	112.4	D355 A356 K362 N363	D355-Y359 HydrophobicContact CB-CD2 4.48Å; D355-Y359 HydrophobicContact CB-CE2 4.36Å; D355-Y359 WeakPolarHBondContact O-CD2 3.38Å; D355-Y359 PolarHBondContact O-N 2.91Å; A356-Y359 PolarHBondContact O-N 3.15Å; Y359-K362 PolarHBondContact O-N 3.44Å; Y359-N363 WeakPolarHBondContact O-CB 3.1Å; Y359-N363 PolarHBondContact O-N 3.45Å; Y359-N363 PolarHBondContact O-ND2 3.27Å
360	D	83.5	Confident	73.6	Confident	92 Å²	92	81.3 Å²	81.3	49%	0.492	40%	0.396	S	S	.	.	H	α-helix	trans	-64	-46.5	176.7	-75.4	-14.1	0	0	0	112	A356 L357 W358 N363 E364	A356-D360 WeakPolarHBondContact O-CB 3.41Å; A356-D360 VanDerWaalsContact O-CG 3.27Å; A356-D360 PolarHBondContact O-N 2.74Å; L357-D360 PolarHBondContact O-N 3.17Å; W358-D360 PolarHBondContact O-N 3.1Å; D360-N363 PolarHBondContact O-N 3.15Å; D360-E364 VanDerWaalsContact O-CB 3.31Å; D360-E364 WeakPolarHBondContact O-CB 3.42Å; D360-E364 PolarHBondContact O-N 3.42Å
361	V	83.8	Confident	74	Confident	0 Å²	0	78 Å²	78	0%	0	38%	0.378	C	S	.	.	H	α-helix	trans	-64.8	-40.8	176.3	170.1	0	0	0	0	110.7	L357 W358 E364 Y365 F575 L578 L579 R582	L357-V361 HydrophobicContact CD1-CG2 3.91Å; L357-V361 HydrophobicContact CG-CG2 4.33Å; L357-V361 VanDerWaalsContact O-CB 3.32Å; L357-V361 WeakPolarHBondContact O-CB 3.35Å; L357-V361 WeakPolarHBondContact O-CG2 3.44Å; L357-V361 PolarHBondContact O-N 3.02Å; W358-V361 PolarHBondContact O-N 3.11Å; V361-E364 PolarHBondContact O-N 3.02Å; V361-Y365 VanDerWaalsContact O-CB 3.24Å; V361-Y365 WeakPolarHBondContact O-CB 3.29Å; V361-Y365 PolarHBondContact O-N 3.1Å; V361-F575 HydrophobicContact CB-CZ 4.49Å; V361-F575 HydrophobicContact CG1-CD2 4.32Å; V361-F575 HydrophobicContact CG1-CE1 4.23Å; V361-F575 HydrophobicContact CG1-CE2 3.85Å; V361-F575 HydrophobicContact CG1-CZ 3.79Å; V361-L578 HydrophobicContact CG1-CB 4.39Å; V361-L578 HydrophobicContact CG1-CD2 3.94Å; V361-L578 HydrophobicContact CG1-CG 3.96Å; V361-L579 HydrophobicContact CG1-CB 4.32Å; V361-L579 HydrophobicContact CG2-CD1 4.06Å; V361-R582 HydrophobicContact CG2-CB 4.23Å; V361-R582 HydrophobicContact CG2-CG 3.87Å
362	K	86.7	Confident	74.2	Confident	77 Å²	77	78.1 Å²	78.1	34%	0.335	38%	0.375	S	S	.	.	H	α-helix	trans	-63.3	-47.6	176.3	-177.1	-177.2	170.1	-172.8	0	112	W358 Y359 E364 Y365 E366 F575	W358-K362 WeakPolarHBondContact O-CB 3.35Å; W358-K362 PolarHBondContact O-N 3.47Å; Y359-K362 PolarHBondContact O-N 3.44Å; K362-E364 VanDerWaalsContact C-N 3.3Å; K362-E364 PolarHBondContact O-N 2.96Å; K362-Y365 PolarHBondContact O-N 3.17Å; K362-E366 WeakPolarHBondContact CE-OE1 3.43Å; K362-E366 HydrophobicContact CG-CG 4.45Å; K362-E366 IonicContact NZ-OE1 3.28Å; K362-E366 WeakPolarHBondContact O-CB 3.38Å; K362-E366 WeakPolarHBondContact O-CG 3.12Å; K362-E366 PolarHBondContact O-N 2.75Å; K362-F575 HydrophobicContact CB-CE2 4.13Å
363	N	83.3	Confident	73.6	Confident	77 Å²	77	74.9 Å²	74.9	41%	0.412	35%	0.351	S	S	.	.	H	α-helix	trans	-64.1	-37.2	177.2	-70.3	-22.4	0	0	0	111.6	Y359 D360 R367	Y359-N363 WeakPolarHBondContact O-CB 3.1Å; Y359-N363 PolarHBondContact O-N 3.45Å; Y359-N363 PolarHBondContact O-ND2 3.27Å; D360-N363 PolarHBondContact O-N 3.15Å; N363-R367 VanDerWaalsContact O-CB 3.29Å; N363-R367 WeakPolarHBondContact O-CB 3.45Å; N363-R367 VanDerWaalsContact O-CG 3.24Å; N363-R367 WeakPolarHBondContact O-CG 3.48Å; N363-R367 PolarHBondContact O-N 2.7Å; N363-R367 PolarHBondContact O-NE 3.38Å
364	E	78.7	Confident	72.7	Confident	30 Å²	30	75.3 Å²	75.3	14%	0.14	36%	0.358	C	S	.	.	H	α-helix	trans	-65.4	-44.3	171.9	177.8	66.5	-162	0	0	111.7	D360 V361 K362 R367 R368 L578 R582	D360-E364 VanDerWaalsContact O-CB 3.31Å; D360-E364 WeakPolarHBondContact O-CB 3.42Å; D360-E364 PolarHBondContact O-N 3.42Å; V361-E364 PolarHBondContact O-N 3.02Å; K362-E364 VanDerWaalsContact C-N 3.3Å; K362-E364 PolarHBondContact O-N 2.96Å; E364-R367 VanDerWaalsContact CA-NH2 3.34Å; E364-R367 PolarHBondContact O-N 2.77Å; E364-R367 IonicContact OE2-CZ 3.89Å; E364-R367 IonicContact OE2-NH1 3.19Å; E364-R367 PolarHBondContact OE2-NH1 2.94Å; E364-R367 IonicContact OE2-NH2 3.87Å; E364-R367 PolarHBondContact OE2-NH2 2.62Å; E364-R368 WeakPolarHBondContact O-CB 3.24Å; E364-R368 VanDerWaalsContact O-CG 3.29Å; E364-R368 WeakPolarHBondContact O-CG 3.47Å; E364-R368 PolarHBondContact O-N 2.92Å; E364-R368 IonicContact OE1-CZ 2.97Å; E364-R368 IonicContact OE1-NE 3.7Å; E364-R368 PolarHBondContact OE1-NE 2.94Å; E364-R368 IonicContact OE1-NH2 2.6Å; E364-R368 PolarHBondContact OE1-NH2 3.09Å; E364-L578 HydrophobicContact CB-CD2 4.12Å; E364-L578 HydrophobicContact CG-CD1 4.27Å; E364-L578 HydrophobicContact CG-CD2 3.73Å; E364-R582 IonicContact OE2-NH2 2.66Å
365	Y	80	Confident	71.4	Confident	22 Å²	22	73.9 Å²	73.9	9%	0.086	34%	0.344	C	S	.	.	H	α-helix	trans	-63.2	-48.2	177.6	178.6	-92.7	0	0	0	111.4	V361 K362 R367 R368 E369 K571 D574 F575	V361-Y365 VanDerWaalsContact O-CB 3.24Å; V361-Y365 WeakPolarHBondContact O-CB 3.29Å; V361-Y365 PolarHBondContact O-N 3.1Å; K362-Y365 PolarHBondContact O-N 3.17Å; Y365-R367 VanDerWaalsContact C-N 3.32Å; Y365-R367 PolarHBondContact O-N 3.33Å; Y365-R368 CarbonylContact O-C 3.58Å; Y365-R368 WeakPolarHBondContact O-CA 3.47Å; Y365-R368 WeakPolarHBondContact O-CB 3.21Å; Y365-R368 PolarHBondContact O-N 3.48Å; Y365-R368 VanDerWaalsContact O-N 3.1Å; Y365-E369 HydrophobicContact CE1-CB 4.3Å; Y365-E369 VanDerWaalsContact CE1-OE2 3.26Å; Y365-E369 WeakPolarHBondContact CE1-OE2 3.31Å; Y365-E369 WeakPolarHBondContact O-CB 3.5Å; Y365-E369 PolarHBondContact O-N 3.04Å; Y365-K571 VanDerWaalsContact OH-CA 3.27Å; Y365-K571 WeakPolarHBondContact OH-CA 3.41Å; Y365-K571 WeakPolarHBondContact OH-CB 3.37Å; Y365-K571 WeakPolarHBondContact OH-CG 3.43Å; Y365-K571 PolarHBondContact OH-O 2.97Å; Y365-D574 HydrophobicContact CE2-CB 4.04Å; Y365-F575 HydrophobicContact CD1-CD2 4.22Å; Y365-F575 HydrophobicContact CD2-CB 4.06Å; Y365-F575 HydrophobicContact CD2-CD2 4.12Å; Y365-F575 HydrophobicContact CE2-CB 4.17Å; Y365-F575 AromaticContact CG-CD2 3.79Å; Y365-F575 HydrophobicContact CG-CD2 3.79Å
366	E	78.3	Confident	70	Confident	74 Å²	74	71.2 Å²	71.2	35%	0.346	33%	0.33	S	S	.	.	H	α-helix	trans	-62.8	-39.4	176.9	-73.4	177.7	174.9	0	0	111.1	K362 E369 Q370	K362-E366 WeakPolarHBondContact CE-OE1 3.43Å; K362-E366 HydrophobicContact CG-CG 4.45Å; K362-E366 IonicContact NZ-OE1 3.28Å; K362-E366 WeakPolarHBondContact O-CB 3.38Å; K362-E366 WeakPolarHBondContact O-CG 3.12Å; K362-E366 PolarHBondContact O-N 2.75Å; E366-E369 PolarHBondContact O-N 3.33Å; E366-Q370 WeakPolarHBondContact O-CB 3.24Å; E366-Q370 WeakPolarHBondContact O-CG 3.46Å; E366-Q370 PolarHBondContact O-N 3.07Å
367	R	69.6	Low	68.6	Low	123 Å²	123	68.7 Å²	68.7	46%	0.464	31%	0.307	S	S	.	.	H	α-helix	trans	-60.1	-49.9	169.6	-79.5	-176.3	-72.9	114	-0.7	110.6	N363 E364 Y365 E369 Q370 L371	N363-R367 VanDerWaalsContact O-CB 3.29Å; N363-R367 WeakPolarHBondContact O-CB 3.45Å; N363-R367 VanDerWaalsContact O-CG 3.24Å; N363-R367 WeakPolarHBondContact O-CG 3.48Å; N363-R367 PolarHBondContact O-N 2.7Å; N363-R367 PolarHBondContact O-NE 3.38Å; E364-R367 VanDerWaalsContact CA-NH2 3.34Å; E364-R367 PolarHBondContact O-N 2.77Å; E364-R367 IonicContact OE2-CZ 3.89Å; E364-R367 IonicContact OE2-NH1 3.19Å; E364-R367 PolarHBondContact OE2-NH1 2.94Å; E364-R367 IonicContact OE2-NH2 3.87Å; E364-R367 PolarHBondContact OE2-NH2 2.62Å; Y365-R367 VanDerWaalsContact C-N 3.32Å; Y365-R367 PolarHBondContact O-N 3.33Å; R367-E369 VanDerWaalsContact C-N 3.28Å; R367-E369 PolarHBondContact O-N 3.43Å; R367-Q370 PolarHBondContact O-N 3.29Å; R367-L371 WeakPolarHBondContact O-CB 3.46Å; R367-L371 WeakPolarHBondContact O-CD1 3.29Å; R367-L371 WeakPolarHBondContact O-CG 3.31Å; R367-L371 PolarHBondContact O-N 3.45Å
368	R	68.6	Low	67	Low	106 Å²	106	69 Å²	69	40%	0.4	31%	0.309	S	S	.	.	H	α-helix	trans	-60.7	-34.7	176.8	-75.1	-179.1	-172.2	-159.3	3.3	112.6	E364 Y365 L371 R372 L578	E364-R368 WeakPolarHBondContact O-CB 3.24Å; E364-R368 VanDerWaalsContact O-CG 3.29Å; E364-R368 WeakPolarHBondContact O-CG 3.47Å; E364-R368 PolarHBondContact O-N 2.92Å; E364-R368 IonicContact OE1-CZ 2.97Å; E364-R368 IonicContact OE1-NE 3.7Å; E364-R368 PolarHBondContact OE1-NE 2.94Å; E364-R368 IonicContact OE1-NH2 2.6Å; E364-R368 PolarHBondContact OE1-NH2 3.09Å; Y365-R368 CarbonylContact O-C 3.58Å; Y365-R368 WeakPolarHBondContact O-CA 3.47Å; Y365-R368 WeakPolarHBondContact O-CB 3.21Å; Y365-R368 PolarHBondContact O-N 3.48Å; Y365-R368 VanDerWaalsContact O-N 3.1Å; R368-L371 CarbonylContact O-C 3.44Å; R368-L371 WeakPolarHBondContact O-CB 3.47Å; R368-L371 PolarHBondContact O-N 3.21Å; R368-R372 VanDerWaalsContact O-CA 3.29Å; R368-R372 WeakPolarHBondContact O-CA 3.42Å; R368-R372 WeakPolarHBondContact O-CB 3.31Å; R368-R372 PolarHBondContact O-N 3.44Å; R368-L578 VanDerWaalsContact CZ-CD1 3.45Å
369	E	66.3	Low	65.2	Low	64 Å²	64	66.9 Å²	66.9	30%	0.299	31%	0.305	S	S	.	.	H	α-helix	trans	-74.7	-41	179.1	-169.7	177.7	-171.3	0	0	111.2	Y365 E366 R367 L371 R372 K571	Y365-E369 HydrophobicContact CE1-CB 4.3Å; Y365-E369 VanDerWaalsContact CE1-OE2 3.26Å; Y365-E369 WeakPolarHBondContact CE1-OE2 3.31Å; Y365-E369 WeakPolarHBondContact O-CB 3.5Å; Y365-E369 PolarHBondContact O-N 3.04Å; E366-E369 PolarHBondContact O-N 3.33Å; R367-E369 VanDerWaalsContact C-N 3.28Å; R367-E369 PolarHBondContact O-N 3.43Å; E369-L371 PolarHBondContact O-N 3.14Å; E369-R372 VanDerWaalsContact O-CB 3.26Å; E369-R372 WeakPolarHBondContact O-CB 3.49Å; E369-R372 PolarHBondContact O-N 3.47Å; E369-K571 WeakPolarHBondContact OE1-CE 3.43Å; E369-K571 IonicContact OE1-NZ 3.64Å; E369-K571 PolarHBondContact OE1-NZ 3.43Å
370	Q	59.1	Low	63.2	Low	127 Å²	127	63 Å²	63	59%	0.593	30%	0.298	S	S	*	.	H	α-helix	trans	-63	-28.9	170.5	-72.1	171.7	11	0	0	112.1	K210 E366 R367	K210-Q370 WeakPolarHBondContact CE-O 3.31Å; K210-Q370 PolarHBondContact NZ-O 3.49Å; K210-Q370 VanDerWaalsContact NZ-O 3.09Å; E366-Q370 WeakPolarHBondContact O-CB 3.24Å; E366-Q370 WeakPolarHBondContact O-CG 3.46Å; E366-Q370 PolarHBondContact O-N 3.07Å; R367-Q370 PolarHBondContact O-N 3.29Å
371	L	50.2	Low	61.6	Low	51 Å²	51	59.3 Å²	59.3	27%	0.267	28%	0.278	S	S	.	.	S	Bend	trans	-86.1	-15.6	171.8	-62.9	170.3	0	0	0	112.8	R213 R367 R368 E369 R373	R213-L371 VanDerWaalsContact CZ-CD2 3.48Å; R367-L371 WeakPolarHBondContact O-CB 3.46Å; R367-L371 WeakPolarHBondContact O-CD1 3.29Å; R367-L371 WeakPolarHBondContact O-CG 3.31Å; R367-L371 PolarHBondContact O-N 3.45Å; R368-L371 CarbonylContact O-C 3.44Å; R368-L371 WeakPolarHBondContact O-CB 3.47Å; R368-L371 PolarHBondContact O-N 3.21Å; E369-L371 PolarHBondContact O-N 3.14Å; L371-R373 PolarHBondContact O-N 3.27Å; L371-R373 VanDerWaalsContact O-N 3.13Å
372	R	51.9	Low	59.9	Low	96 Å²	96	62.6 Å²	62.6	36%	0.362	30%	0.295	S	S	.	.	P	Polyproline II helix	trans	-69.8	117.9	-172.9	-174.8	173.9	-88.4	-162.2	-14.9	106.2	R368 E369 D574	R368-R372 VanDerWaalsContact O-CA 3.29Å; R368-R372 WeakPolarHBondContact O-CA 3.42Å; R368-R372 WeakPolarHBondContact O-CB 3.31Å; R368-R372 PolarHBondContact O-N 3.44Å; E369-R372 VanDerWaalsContact O-CB 3.26Å; E369-R372 WeakPolarHBondContact O-CB 3.49Å; E369-R372 PolarHBondContact O-N 3.47Å; R372-D574 IonicContact CZ-OD2 3.25Å; R372-D574 IonicContact NH1-OD2 2.69Å; R372-D574 PolarHBondContact NH1-OD2 3.4Å; R372-D574 IonicContact NH2-OD1 3.62Å; R372-D574 IonicContact NH2-OD2 3.4Å; R372-D574 PolarHBondContact NH2-OD2 3.25Å
373	R	50.8	Low	57.9	Low	77 Å²	77	63.7 Å²	63.7	29%	0.291	30%	0.302	S	S	.	.	P	Polyproline II helix	trans	-63.7	149.9	-167.9	-57.2	174.9	-172.1	156.8	0.3	108.9	H118 C217 L371 H375	H118-R373 VanDerWaalsContact CE1-CZ 3.45Å; H118-R373 PolarHBondContact CE1-NH1 2.6Å; H118-R373 PolarHBondContact CE1-NH2 2.72Å; H118-R373 VanDerWaalsContact ND1-CZ 3.26Å; H118-R373 PolarHBondContact ND1-NH1 2.9Å; H118-R373 PolarHBondContact ND1-NH2 3.07Å; C217-R373 PolarHBondContact SG-NE 2.97Å; C217-R373 PolarHBondContact SG-NH1 2.71Å; C217-R373 PolarHBondContact SG-NH2 3.46Å; L371-R373 PolarHBondContact O-N 3.27Å; L371-R373 VanDerWaalsContact O-N 3.13Å; R373-H375 PolarHBondContact O-N 2.86Å; R373-H375 VanDerWaalsContact O-N 3.15Å
374	P	48.2	Very low	56.4	Low	56 Å²	56	62.9 Å²	62.9	36%	0.364	30%	0.297	S	S	.	.	P	Polyproline II helix	trans	-52	125	145.9	-7.3	22.6	0	0	0	104.4	L311 N314 V376	L311-P374 HydrophobicContact CD2-CG 4.48Å; N314-P374 HydrophobicContact CB-CG 4.15Å; N314-P374 WeakPolarHBondContact ND2-CG 3.41Å; P374-V376 HydrophobicContact CB-CG2 4.02Å; P374-V376 WeakPolarHBondContact O-CG2 3.43Å; P374-V376 PolarHBondContact O-N 3.02Å
375	H	50	Low	55.4	Low	50 Å²	50	62.4 Å²	62.4	23%	0.231	30%	0.295	C	S	.	.			trans	-71.7	64.3	-179.3	-67.4	-99.2	0	0	0	108.8	R373 L377 L378 D379	R373-H375 PolarHBondContact O-N 2.86Å; R373-H375 VanDerWaalsContact O-N 3.15Å; H375-L377 PolarHBondContact O-N 3.36Å; H375-L377 VanDerWaalsContact O-N 3.1Å; H375-L378 HydrophobicContact CB-CB 4.05Å; H375-L378 PolarHBondContact O-N 2.97Å; H375-D379 HydrophobicContact CB-CB 4.19Å; H375-D379 VanDerWaalsContact CB-CG 3.41Å; H375-D379 WeakPolarHBondContact CB-OD2 3.33Å; H375-D379 IonicContact CD2-OD1 3.04Å; H375-D379 PolarHBondContact N-OD2 3.13Å; H375-D379 WeakPolarHBondContact O-CA 3.13Å; H375-D379 WeakPolarHBondContact O-CB 3.46Å; H375-D379 PolarHBondContact O-N 3.06Å
376	V	50	Low	54.6	Low	28 Å²	28	63.9 Å²	63.9	17%	0.17	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-40.8	-170.9	-174.2	0	0	0	0	110.2	P145 L146 L311 P374 S380	P145-V376 HydrophobicContact CB-CG1 3.74Å; P145-V376 HydrophobicContact CG-CG1 3.9Å; P145-V376 VanDerWaalsContact CG-O 3.3Å; P145-V376 WeakPolarHBondContact CG-O 3.5Å; L146-V376 HydrophobicContact CD2-CG1 4.35Å; L311-V376 HydrophobicContact CD1-CG1 4.03Å; L311-V376 HydrophobicContact CD1-CG2 4.03Å; L311-V376 HydrophobicContact CD2-CG2 3.26Å; L311-V376 HydrophobicContact CG-CG1 4.22Å; L311-V376 HydrophobicContact CG-CG2 3.72Å; P374-V376 HydrophobicContact CB-CG2 4.02Å; P374-V376 WeakPolarHBondContact O-CG2 3.43Å; P374-V376 PolarHBondContact O-N 3.02Å; V376-S380 PolarHBondContact O-OG 2.8Å
377	L	51	Low	54.1	Low	16 Å²	16	67.6 Å²	67.6	8%	0.084	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-45.9	176.5	-69.6	169.8	0	0	0	112.8	L122 F125 N144 P145 L146 D221 I225 H375 S380	L122-L377 HydrophobicContact CD2-CD1 3.56Å; F125-L377 HydrophobicContact CD1-CD2 4.3Å; F125-L377 HydrophobicContact CD2-CB 4Å; F125-L377 HydrophobicContact CD2-CD2 4.44Å; F125-L377 WeakPolarHBondContact CD2-O 3.45Å; F125-L377 HydrophobicContact CE1-CD2 3.85Å; F125-L377 HydrophobicContact CE2-CB 4.23Å; F125-L377 HydrophobicContact CE2-CD2 4.02Å; F125-L377 VanDerWaalsContact CE2-O 3.23Å; F125-L377 WeakPolarHBondContact CE2-O 3.45Å; F125-L377 HydrophobicContact CG-CB 4.29Å; F125-L377 HydrophobicContact CZ-CD2 3.71Å; N144-L377 VanDerWaalsContact OD1-CD2 3.31Å; N144-L377 WeakPolarHBondContact OD1-CD2 3.12Å; P145-L377 HydrophobicContact CG-CD2 3.76Å; P145-L377 HydrophobicContact CG-CG 4.47Å; L146-L377 HydrophobicContact CD1-CD1 3.73Å; L146-L377 HydrophobicContact CD1-CD2 4.24Å; L146-L377 HydrophobicContact CD1-CG 4.16Å; L146-L377 HydrophobicContact CG-CD1 4.34Å; L146-L377 HydrophobicContact CG-CD2 4.1Å; L146-L377 HydrophobicContact CG-CG 4.23Å; D221-L377 HydrophobicContact CB-CD1 4.22Å; I225-L377 HydrophobicContact CD1-CD1 4.47Å; H375-L377 PolarHBondContact O-N 3.36Å; H375-L377 VanDerWaalsContact O-N 3.1Å; L377-S380 VanDerWaalsContact O-CB 3.27Å; L377-S380 WeakPolarHBondContact O-CB 3.5Å; L377-S380 PolarHBondContact O-N 2.96Å
378	L	48.9	Very low	54.1	Low	42 Å²	42	62.4 Å²	62.4	22%	0.22	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-81.1	-31.4	-172.7	-154.7	73.2	0	0	0	113.9	H375 S380 I381 L384	H375-L378 HydrophobicContact CB-CB 4.05Å; H375-L378 PolarHBondContact O-N 2.97Å; L378-S380 PolarHBondContact O-N 3.29Å; L378-I381 HydrophobicContact CD1-CD1 4.33Å; L378-I381 PolarHBondContact O-N 3.47Å; L378-L384 HydrophobicContact CD1-CD1 3.86Å; L378-L384 HydrophobicContact CG-CD1 4.47Å
379	D	45.1	Very low	54.4	Low	60 Å²	60	58.4 Å²	58.4	32%	0.321	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-63.4	-17.5	170.6	-70.2	-29.9	0	0	0	111.4	H375 I381 M385 K389	H375-D379 HydrophobicContact CB-CB 4.19Å; H375-D379 VanDerWaalsContact CB-CG 3.41Å; H375-D379 WeakPolarHBondContact CB-OD2 3.33Å; H375-D379 IonicContact CD2-OD1 3.04Å; H375-D379 PolarHBondContact N-OD2 3.13Å; H375-D379 WeakPolarHBondContact O-CA 3.13Å; H375-D379 WeakPolarHBondContact O-CB 3.46Å; H375-D379 PolarHBondContact O-N 3.06Å; D379-I381 VanDerWaalsContact C-N 3.25Å; D379-I381 PolarHBondContact O-N 3.31Å; D379-M385 HydrophobicContact CB-CE 4.11Å; D379-M385 WeakPolarHBondContact OD1-CE 3.24Å; D379-K389 IonicContact OD1-NZ 3.96Å
380	S	43.6	Very low	55	Low	55 Å²	55	57.1 Å²	57.1	39%	0.385	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-73.9	-15.3	172.6	-56.8	0	0	0	0	112.9	V376 L377 L378 L382	V376-S380 PolarHBondContact O-OG 2.8Å; L377-S380 VanDerWaalsContact O-CB 3.27Å; L377-S380 WeakPolarHBondContact O-CB 3.5Å; L377-S380 PolarHBondContact O-N 2.96Å; L378-S380 PolarHBondContact O-N 3.29Å; S380-L382 PolarHBondContact O-N 3.03Å
381	I	49.7	Very low	56.2	Low	14 Å²	14	51 Å²	51	7%	0.072	25%	0.252	C	S	.	.			trans	-102.1	84.7	179.2	-59.5	165.4	0	0	0	109.3	F125 F128 L378 D379 E383 L384	F125-I381 HydrophobicContact CB-CD1 3.97Å; F125-I381 HydrophobicContact CD2-CD1 3.4Å; F125-I381 HydrophobicContact CD2-CG1 3.99Å; F125-I381 HydrophobicContact CE2-CD1 4.22Å; F125-I381 HydrophobicContact CE2-CG1 4.39Å; F125-I381 HydrophobicContact CG-CD1 4.03Å; F125-I381 WeakPolarHBondContact O-CD1 3.47Å; F128-I381 HydrophobicContact CB-CD1 3.92Å; F128-I381 HydrophobicContact CB-CG1 4.46Å; F128-I381 HydrophobicContact CB-CG2 3.73Å; F128-I381 HydrophobicContact CG-CG2 4.17Å; L378-I381 HydrophobicContact CD1-CD1 4.33Å; L378-I381 PolarHBondContact O-N 3.47Å; D379-I381 VanDerWaalsContact C-N 3.25Å; D379-I381 PolarHBondContact O-N 3.31Å; I381-E383 HydrophobicContact CG2-CB 4.37Å; I381-E383 PolarHBondContact O-N 3.44Å; I381-L384 HydrophobicContact CB-CD1 4.37Å; I381-L384 HydrophobicContact CG2-CB 4.28Å; I381-L384 HydrophobicContact CG2-CD1 3.93Å; I381-L384 HydrophobicContact CG2-CG 3.9Å; I381-L384 PolarHBondContact O-N 3.3Å; I381-L384 VanDerWaalsContact O-N 3.11Å
382	L	47.8	Very low	57.8	Low	69 Å²	69	50.5 Å²	50.5	36%	0.361	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-50.7	-29.3	178.6	-61.7	162.9	0	0	0	113.3	S380 L384 L390	S380-L382 PolarHBondContact O-N 3.03Å; L382-L384 VanDerWaalsContact C-N 3.33Å; L382-L384 PolarHBondContact O-N 3.41Å; L382-L390 HydrophobicContact CD2-CD1 3.45Å; L382-L390 VanDerWaalsContact CD2-CD1 3.45Å
383	E	45.9	Very low	59.2	Low	100 Å²	100	46.9 Å²	46.9	47%	0.467	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-73.3	-20.1	-176.4	-66	-179.3	-174.3	0	0	114.5	I381	I381-E383 HydrophobicContact CG2-CB 4.37Å; I381-E383 PolarHBondContact O-N 3.44Å
384	L	50.4	Low	60.9	Low	60 Å²	60	44.5 Å²	44.5	31%	0.314	23%	0.226	S	C	.	.	G	3₁₀ helix	trans	-93.6	-13.6	179.8	-75.3	176	0	0	0	113.2	Q124 F128 L378 I381 L382	Q124-L384 HydrophobicContact CG-CD1 4.18Å; F128-L384 HydrophobicContact CD2-CD1 3.59Å; F128-L384 HydrophobicContact CD2-CD2 4.18Å; F128-L384 HydrophobicContact CD2-CG 4.04Å; F128-L384 HydrophobicContact CE1-CD2 4.14Å; F128-L384 HydrophobicContact CE2-CD1 3.75Å; F128-L384 HydrophobicContact CE2-CD2 3.58Å; F128-L384 HydrophobicContact CE2-CG 3.97Å; F128-L384 HydrophobicContact CG-CD1 4.24Å; F128-L384 HydrophobicContact CG-CG 4.39Å; F128-L384 HydrophobicContact CZ-CD1 4.48Å; F128-L384 HydrophobicContact CZ-CD2 3.55Å; F128-L384 HydrophobicContact CZ-CG 4.22Å; L378-L384 HydrophobicContact CD1-CD1 3.86Å; L378-L384 HydrophobicContact CG-CD1 4.47Å; I381-L384 HydrophobicContact CB-CD1 4.37Å; I381-L384 HydrophobicContact CG2-CB 4.28Å; I381-L384 HydrophobicContact CG2-CD1 3.93Å; I381-L384 HydrophobicContact CG2-CG 3.9Å; I381-L384 PolarHBondContact O-N 3.3Å; I381-L384 VanDerWaalsContact O-N 3.11Å; L382-L384 VanDerWaalsContact C-N 3.33Å; L382-L384 PolarHBondContact O-N 3.41Å
385	M	57.6	Low	62.9	Low	20 Å²	20	44.4 Å²	44.4	10%	0.099	22%	0.221	C	C	.	.	S	Bend	trans	-75.6	141.9	-175.7	-57.3	-171.5	100.4	0	0	110.1	D379 R387 K389 I393	D379-M385 HydrophobicContact CB-CE 4.11Å; D379-M385 WeakPolarHBondContact OD1-CE 3.24Å; M385-R387 PolarHBondContact O-N 3.02Å; M385-K389 HydrophobicContact CB-CB 4.37Å; M385-K389 HydrophobicContact CB-CD 4.48Å; M385-K389 HydrophobicContact CE-CD 3.6Å; M385-K389 VanDerWaalsContact CE-CE 3.42Å; M385-K389 HydrophobicContact CE-CG 3.98Å; M385-I393 HydrophobicContact CE-CD1 3.42Å; M385-I393 VanDerWaalsContact CE-CD1 3.42Å; M385-I393 HydrophobicContact SD-CD1 3.75Å
386	P	63	Low	64.6	Low	53 Å²	53	48.3 Å²	48.3	34%	0.344	24%	0.239	S	C	.	.			trans	-48.6	135.8	163.9	-25.9	34.8	0	0	0	109.7	D388 K389 L390	P386-D388 VanDerWaalsContact CB-OD1 3.23Å; P386-D388 WeakPolarHBondContact CB-OD1 3.48Å; P386-D388 PolarHBondContact O-N 3.06Å; P386-D388 VanDerWaalsContact O-N 3.14Å; P386-K389 HydrophobicContact CB-CB 4.24Å; P386-K389 WeakPolarHBondContact O-CA 3.36Å; P386-K389 WeakPolarHBondContact O-CB 3.31Å; P386-K389 PolarHBondContact O-N 3.13Å; P386-L390 PolarHBondContact O-N 2.97Å
387	R	68	Low	66.3	Low	152 Å²	152	54.9 Å²	54.9	57%	0.574	26%	0.261	S	S	*	.	H	α-helix	trans	-59.5	-32.1	-168.8	-64	-179.7	-178.3	-179.6	-2.8	113.2	M385	M385-R387 PolarHBondContact O-N 3.02Å
388	D	70.8	Confident	68	Low	14 Å²	14	55.8 Å²	55.8	8%	0.075	27%	0.274	C	S	.	.	H	α-helix	trans	-69.8	-32.6	173.5	61.1	-49.3	0	0	0	112.6	P386 L390 A391 R392 T493 S566	P386-D388 VanDerWaalsContact CB-OD1 3.23Å; P386-D388 WeakPolarHBondContact CB-OD1 3.48Å; P386-D388 PolarHBondContact O-N 3.06Å; P386-D388 VanDerWaalsContact O-N 3.14Å; D388-L390 VanDerWaalsContact C-N 3.27Å; D388-L390 PolarHBondContact O-N 3.04Å; D388-A391 PolarHBondContact O-N 3.25Å; D388-R392 WeakPolarHBondContact O-CB 3.17Å; D388-R392 PolarHBondContact O-N 2.87Å; D388-T493 HydrophobicContact CB-CG2 4.09Å; D388-S566 PolarHBondContact OD1-OG 2.9Å; D388-S566 VanDerWaalsContact OD2-CB 3.27Å; D388-S566 WeakPolarHBondContact OD2-CB 3.3Å; D388-S566 PolarHBondContact OD2-OG 3.35Å
389	K	74.6	Confident	69.8	Low	23 Å²	23	58 Å²	58	10%	0.1	28%	0.283	C	S	.	.	H	α-helix	trans	-62.6	-35.5	175.9	-164.2	176.6	179.9	-169.9	0	111.3	D379 M385 P386 R392 I393	D379-K389 IonicContact OD1-NZ 3.96Å; M385-K389 HydrophobicContact CB-CB 4.37Å; M385-K389 HydrophobicContact CB-CD 4.48Å; M385-K389 HydrophobicContact CE-CD 3.6Å; M385-K389 VanDerWaalsContact CE-CE 3.42Å; M385-K389 HydrophobicContact CE-CG 3.98Å; P386-K389 HydrophobicContact CB-CB 4.24Å; P386-K389 WeakPolarHBondContact O-CA 3.36Å; P386-K389 WeakPolarHBondContact O-CB 3.31Å; P386-K389 PolarHBondContact O-N 3.13Å; K389-R392 PolarHBondContact O-N 2.68Å; K389-I393 HydrophobicContact CG-CD1 4.36Å; K389-I393 VanDerWaalsContact O-CG1 3.28Å; K389-I393 WeakPolarHBondContact O-CG1 3.19Å; K389-I393 PolarHBondContact O-N 2.89Å
390	L	77.6	Confident	72.1	Confident	36 Å²	36	55.1 Å²	55.1	19%	0.188	27%	0.268	C	S	.	.	H	α-helix	trans	-62.8	-53.5	174.3	177.5	60.7	0	0	0	111.8	L382 P386 D388 R392 I393 E394	L382-L390 HydrophobicContact CD2-CD1 3.45Å; L382-L390 VanDerWaalsContact CD2-CD1 3.45Å; P386-L390 PolarHBondContact O-N 2.97Å; D388-L390 VanDerWaalsContact C-N 3.27Å; D388-L390 PolarHBondContact O-N 3.04Å; L390-R392 PolarHBondContact O-N 2.87Å; L390-I393 PolarHBondContact O-N 3.39Å; L390-I393 VanDerWaalsContact O-N 3.13Å; L390-E394 PolarHBondContact O-N 3.35Å
391	A	84.3	Confident	74.6	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-59.8	-38.1	178.5	0	0	0	0	0	111.5	D388 E394 E395 I400 Y491 H494	D388-A391 PolarHBondContact O-N 3.25Å; A391-E394 PolarHBondContact O-N 3.21Å; A391-E395 PolarHBondContact O-N 2.98Å; A391-I400 HydrophobicContact CB-CD1 4.22Å; A391-I400 WeakPolarHBondContact O-CD1 3.29Å; A391-Y491 HydrophobicContact CB-CD1 3.9Å; A391-Y491 HydrophobicContact CB-CE1 4.15Å; A391-H494 HydrophobicContact CB-CB 3.65Å
392	R	85.4	Confident	76.8	Confident	39 Å²	39	57.9 Å²	57.9	15%	0.147	28%	0.275	C	S	.	.	H	α-helix	trans	-61.4	-43.5	173.9	-164.1	-177.6	77.3	-163.6	-0.4	112.7	D388 K389 L390 E394 E395 E396 S567	D388-R392 WeakPolarHBondContact O-CB 3.17Å; D388-R392 PolarHBondContact O-N 2.87Å; K389-R392 PolarHBondContact O-N 2.68Å; L390-R392 PolarHBondContact O-N 2.87Å; R392-E394 VanDerWaalsContact C-N 3.33Å; R392-E394 PolarHBondContact O-N 3.16Å; R392-E395 WeakPolarHBondContact O-CB 3.2Å; R392-E395 PolarHBondContact O-N 3.16Å; R392-E396 IonicContact NE-OE1 3.69Å; R392-E396 PolarHBondContact NE-OE1 3.44Å; R392-E396 WeakPolarHBondContact O-CG 2.74Å; R392-E396 PolarHBondContact O-N 3.3Å; R392-S567 PolarHBondContact NH1-OG 3.14Å
393	I	80.1	Confident	79.1	Confident	21 Å²	21	58.3 Å²	58.3	11%	0.108	28%	0.275	C	S	.	.	H	α-helix	trans	-64.9	-38.6	175.9	-69.4	164.2	0	0	0	111.1	M385 K389 L390 E395 E396 R397	M385-I393 HydrophobicContact CE-CD1 3.42Å; M385-I393 VanDerWaalsContact CE-CD1 3.42Å; M385-I393 HydrophobicContact SD-CD1 3.75Å; K389-I393 HydrophobicContact CG-CD1 4.36Å; K389-I393 VanDerWaalsContact O-CG1 3.28Å; K389-I393 WeakPolarHBondContact O-CG1 3.19Å; K389-I393 PolarHBondContact O-N 2.89Å; L390-I393 PolarHBondContact O-N 3.39Å; L390-I393 VanDerWaalsContact O-N 3.13Å; I393-E395 VanDerWaalsContact C-N 3.31Å; I393-E396 PolarHBondContact O-N 3.02Å; I393-R397 HydrophobicContact CG2-CG 4.42Å; I393-R397 WeakPolarHBondContact O-CB 3.35Å; I393-R397 WeakPolarHBondContact O-CG 3.3Å; I393-R397 PolarHBondContact O-N 3.28Å
394	E	86.4	Confident	81.4	Confident	26 Å²	26	56.1 Å²	56.1	12%	0.121	27%	0.268	C	S	.	.	H	α-helix	trans	-63.5	-37.4	173.8	-68	-169.9	179.2	0	0	111.7	L390 A391 R392 R397 G398 Q399 I400 K456 Y491	L390-E394 PolarHBondContact O-N 3.35Å; A391-E394 PolarHBondContact O-N 3.21Å; R392-E394 VanDerWaalsContact C-N 3.33Å; R392-E394 PolarHBondContact O-N 3.16Å; E394-R397 PolarHBondContact O-N 3.25Å; E394-G398 PolarHBondContact O-N 3.34Å; E394-Q399 HydrophobicContact CB-CB 4.26Å; E394-Q399 WeakPolarHBondContact O-CB 3.42Å; E394-Q399 PolarHBondContact O-N 3.29Å; E394-I400 HydrophobicContact CB-CD1 4.08Å; E394-I400 HydrophobicContact CB-CG1 4.03Å; E394-I400 HydrophobicContact CB-CG2 4.28Å; E394-I400 PolarHBondContact O-N 3.08Å; E394-K456 IonicContact OE2-NZ 3.74Å; E394-Y491 VanDerWaalsContact CD-OH 3.31Å; E394-Y491 PolarHBondContact OE1-OH 3.16Å; E394-Y491 WeakPolarHBondContact OE2-CE1 3.39Å; E394-Y491 PolarHBondContact OE2-OH 2.74Å
395	E	90	Very high	83.6	Confident	54 Å²	54	53.4 Å²	53.4	25%	0.252	25%	0.254	S	S	.	.	H	α-helix	trans	-67.8	-45.6	175	-174.4	173.5	-151.7	0	0	111.4	A391 R392 I393 R397 G398 I400 H494 H498	A391-E395 PolarHBondContact O-N 2.98Å; R392-E395 WeakPolarHBondContact O-CB 3.2Å; R392-E395 PolarHBondContact O-N 3.16Å; I393-E395 VanDerWaalsContact C-N 3.31Å; E395-R397 PolarHBondContact O-N 2.98Å; E395-G398 PolarHBondContact O-N 3.48Å; E395-I400 HydrophobicContact CB-CD1 4.2Å; E395-I400 HydrophobicContact CB-CG1 3.79Å; E395-H494 IonicContact OE2-CD2 2.72Å; E395-H494 IonicContact OE2-CE1 3.67Å; E395-H494 PolarHBondContact OE2-CE1 3.49Å; E395-H494 IonicContact OE2-NE2 2.72Å; E395-H494 PolarHBondContact OE2-NE2 3.48Å; E395-H498 IonicContact OE1-CE1 3.71Å; E395-H498 PolarHBondContact OE1-CE1 3.48Å; E395-H498 IonicContact OE1-NE2 3.59Å; E395-H498 PolarHBondContact OE1-NE2 3.34Å; E395-H498 IonicContact OE2-CE1 3.39Å; E395-H498 IonicContact OE2-NE2 2.73Å; E395-H498 PolarHBondContact OE2-NE2 2.95Å
396	E	86.3	Confident	85.3	Confident	132 Å²	132	55.3 Å²	55.3	62%	0.617	27%	0.265	S	S	*	.	H	α-helix	trans	-61.1	-31.7	175.6	-72.4	167.7	-165.6	0	0	112.3	R392 I393 G398	R392-E396 IonicContact NE-OE1 3.69Å; R392-E396 PolarHBondContact NE-OE1 3.44Å; R392-E396 WeakPolarHBondContact O-CG 2.74Å; R392-E396 PolarHBondContact O-N 3.3Å; I393-E396 PolarHBondContact O-N 3.02Å; E396-G398 VanDerWaalsContact C-N 3.28Å
397	R	85.9	Confident	86.7	Confident	166 Å²	166	53.9 Å²	53.9	63%	0.626	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-2.5	173.9	-70.9	173.9	-178.3	179.2	2.4	113.7	I393 E394 E395 Q399	I393-R397 HydrophobicContact CG2-CG 4.42Å; I393-R397 WeakPolarHBondContact O-CB 3.35Å; I393-R397 WeakPolarHBondContact O-CG 3.3Å; I393-R397 PolarHBondContact O-N 3.28Å; E394-R397 PolarHBondContact O-N 3.25Å; E395-R397 PolarHBondContact O-N 2.98Å; R397-Q399 VanDerWaalsContact C-N 3.3Å; R397-Q399 HydrophobicContact CB-CG 4.02Å; R397-Q399 PolarHBondContact O-N 3.43Å
398	G	86.4	Confident	87.6	Confident	36 Å²	36	50.7 Å²	50.7	37%	0.371	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.7	24.3	-177.3	0	0	0	0	0	114.3	E394 E395 E396 F401	E394-G398 PolarHBondContact O-N 3.34Å; E395-G398 PolarHBondContact O-N 3.48Å; E396-G398 VanDerWaalsContact C-N 3.28Å; G398-F401 WeakPolarHBondContact O-CE2 3.43Å; G398-F401 WeakPolarHBondContact O-CZ 3.33Å
399	Q	87.9	Confident	88.3	Confident	87 Å²	87	55.4 Å²	55.4	41%	0.407	27%	0.273	S	S	.	.	S	Bend	trans	-87.5	-26.6	178.3	-61.9	-178.9	-27.7	0	0	112.4	E394 R397	E394-Q399 HydrophobicContact CB-CB 4.26Å; E394-Q399 WeakPolarHBondContact O-CB 3.42Å; E394-Q399 PolarHBondContact O-N 3.29Å; R397-Q399 VanDerWaalsContact C-N 3.3Å; R397-Q399 HydrophobicContact CB-CG 4.02Å; R397-Q399 PolarHBondContact O-N 3.43Å
400	I	92.6	Very high	88.7	Confident	0 Å²	0	57 Å²	57	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	155.6	174.1	67.8	174.5	0	0	0	110.3	A391 E394 E395 L454 I455 K456 Y491	A391-I400 HydrophobicContact CB-CD1 4.22Å; A391-I400 WeakPolarHBondContact O-CD1 3.29Å; E394-I400 HydrophobicContact CB-CD1 4.08Å; E394-I400 HydrophobicContact CB-CG1 4.03Å; E394-I400 HydrophobicContact CB-CG2 4.28Å; E394-I400 PolarHBondContact O-N 3.08Å; E395-I400 HydrophobicContact CB-CD1 4.2Å; E395-I400 HydrophobicContact CB-CG1 3.79Å; I400-L454 HydrophobicContact CB-CD2 4.18Å; I400-L454 HydrophobicContact CD1-CD1 4.3Å; I400-L454 HydrophobicContact CD1-CD2 4.38Å; I400-L454 HydrophobicContact CG2-CD2 4.31Å; I400-I455 CarbonylContact C-O 3.52Å; I400-I455 WeakPolarHBondContact CA-O 3.47Å; I400-K456 HydrophobicContact CG2-CB 3.98Å; I400-K456 HydrophobicContact CG2-CD 4.01Å; I400-K456 HydrophobicContact CG2-CG 3.91Å; I400-Y491 HydrophobicContact CD1-CD1 4.09Å; I400-Y491 HydrophobicContact CD1-CE1 3.87Å; I400-Y491 HydrophobicContact CG2-CE1 4.15Å
401	F	95.2	Very high	88.8	Confident	102 Å²	102	65.1 Å²	65.1	45%	0.447	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	143.3	179.2	-55.5	-86.7	0	0	0	110.6	G398 L454 I455	G398-F401 WeakPolarHBondContact O-CE2 3.43Å; G398-F401 WeakPolarHBondContact O-CZ 3.33Å; F401-L454 WeakPolarHBondContact O-CA 3.36Å; F401-I455 PolarHBondContact N-O 3.46Å; F401-I455 PolarHBondContact O-N 3.04Å
402	V	95.9	Very high	88.6	Confident	26 Å²	26	73.7 Å²	73.7	16%	0.158	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	122.9	176.6	-177	0	0	0	0	109.8	I452 V453 L454 L495 H498	V402-I452 HydrophobicContact CG1-CD1 3.66Å; V402-I452 HydrophobicContact CG1-CG1 3.63Å; V402-V453 WeakPolarHBondContact CA-O 3.23Å; V402-L454 HydrophobicContact CG2-CD1 4.2Å; V402-L454 HydrophobicContact CG2-CG 4.22Å; V402-L495 HydrophobicContact CG1-CD1 3.94Å; V402-H498 HydrophobicContact CG1-CB 4.07Å
403	H	96	Very high	88.4	Confident	77 Å²	77	73.7 Å²	73.7	36%	0.356	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	144.6	-178.1	-68.8	-85.2	0	0	0	111.7	I405 W420 I452 V453	H403-I405 HydrophobicContact CB-CG2 4.36Å; H403-W420 HydrophobicContact CB-CZ3 4.23Å; H403-I452 CarbonylContact O-C 3.55Å; H403-I452 WeakPolarHBondContact O-CA 3.13Å; H403-V453 HydrophobicContact CB-CG2 4.13Å; H403-V453 PolarHBondContact N-O 2.96Å; H403-V453 WeakPolarHBondContact O-CG2 3.24Å; H403-V453 PolarHBondContact O-N 3.2Å
404	V	96	Very high	88.8	Confident	54 Å²	54	76.3 Å²	76.3	33%	0.327	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	121.3	168.1	-178.1	0	0	0	0	108.5	K450 N451 I452 F502	V404-K450 HydrophobicContact CG1-CB 4.33Å; V404-K450 HydrophobicContact CG1-CD 4.48Å; V404-N451 CarbonylContact C-O 3.52Å; V404-N451 WeakPolarHBondContact CA-O 3.27Å; V404-I452 HydrophobicContact CG2-CB 4.26Å; V404-I452 HydrophobicContact CG2-CD1 4.26Å; V404-I452 HydrophobicContact CG2-CG1 4Å; V404-F502 HydrophobicContact CB-CE2 4.4Å; V404-F502 HydrophobicContact CG1-CE2 4.26Å; V404-F502 HydrophobicContact CG1-CZ 4.21Å; V404-F502 HydrophobicContact CG2-CD2 3.94Å; V404-F502 HydrophobicContact CG2-CE2 3.93Å
405	I	95.2	Very high	89	Confident	3 Å²	3	81.4 Å²	81.4	2%	0.015	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	150.9	-177.5	65.6	177.7	0	0	0	110.8	H403 K417 W420 L421 N451 V453	H403-I405 HydrophobicContact CB-CG2 4.36Å; I405-K417 HydrophobicContact CG2-CB 4.15Å; I405-K417 HydrophobicContact CG2-CD 4.29Å; I405-K417 HydrophobicContact CG2-CG 3.98Å; I405-W420 HydrophobicContact CD1-CB 3.79Å; I405-W420 HydrophobicContact CG2-CE3 4.04Å; I405-L421 HydrophobicContact CD1-CB 4.21Å; I405-L421 HydrophobicContact CD1-CD1 4.38Å; I405-N451 HydrophobicContact CG1-CB 3.91Å; I405-N451 PolarHBondContact N-O 3.24Å; I405-N451 PolarHBondContact O-N 2.84Å; I405-V453 HydrophobicContact CD1-CG1 3.76Å; I405-V453 HydrophobicContact CD1-CG2 3.98Å; I405-V453 HydrophobicContact CG1-CG1 4.2Å; I405-V453 HydrophobicContact CG1-CG2 4.34Å; I405-V453 HydrophobicContact CG2-CG2 4.44Å
406	N	93.6	Very high	89.1	Confident	61 Å²	61	83.5 Å²	83.5	33%	0.326	42%	0.418	S	S	.	.			trans	-155.2	160.2	172.5	69.9	-39.8	0	0	0	110.3	N408 H449 K450	N406-N408 PolarHBondContact O-N 2.92Å; N406-H449 WeakPolarHBondContact CB-O 3.29Å; N406-K450 HydrophobicContact CB-CG 4.26Å
407	N	92.1	Very high	89.3	Confident	22 Å²	22	81.8 Å²	81.8	12%	0.118	41%	0.408	C	S	.	.			trans	-77.7	106	166.8	179.8	7.6	0	0	0	108.9	L409 Q413 L421 W445 H447	N407-L409 VanDerWaalsContact C-N 3.32Å; N407-L409 PolarHBondContact O-N 2.85Å; N407-L409 PolarHBondContact OD1-N 3.24Å; N407-L409 VanDerWaalsContact OD1-N 3.15Å; N407-Q413 PolarHBondContact OD1-NE2 3.27Å; N407-L421 HydrophobicContact CB-CD2 4.3Å; N407-W445 HydrophobicContact CB-CE3 4.47Å; N407-W445 WeakPolarHBondContact CB-O 3.29Å; N407-W445 PolarHBondContact ND2-O 3.5Å; N407-H447 WeakPolarHBondContact O-CA 3.39Å; N407-H447 WeakPolarHBondContact O-CB 3.46Å
408	N	86.6	Confident	89.7	Confident	86 Å²	86	75.9 Å²	75.9	46%	0.46	39%	0.389	S	S	.	.			trans	-86.8	5.8	-178.8	72.5	12.9	0	0	0	114.6	N406 S410 Q413	N406-N408 PolarHBondContact O-N 2.92Å; N408-S410 PolarHBondContact O-N 2.66Å; N408-S410 WeakPolarHBondContact OD1-CB 3.22Å; N408-S410 PolarHBondContact OD1-N 2.97Å; N408-Q413 VanDerWaalsContact OD1-CD 3.32Å; N408-Q413 WeakPolarHBondContact OD1-CG 3.49Å; N408-Q413 PolarHBondContact OD1-NE2 2.84Å
409	L	85.6	Confident	90	Very high	113 Å²	113	79.4 Å²	79.4	59%	0.592	40%	0.395	S	S	*	.			trans	56.5	8.2	-176.5	-53.6	174.2	0	0	0	116.1	N407 H447	N407-L409 VanDerWaalsContact C-N 3.32Å; N407-L409 PolarHBondContact O-N 2.85Å; N407-L409 PolarHBondContact OD1-N 3.24Å; N407-L409 VanDerWaalsContact OD1-N 3.15Å; L409-H447 HydrophobicContact CD1-CB 3.84Å; L409-H447 HydrophobicContact CG-CB 3.87Å
410	S	84.6	Confident	90.4	Very high	57 Å²	57	76 Å²	76	40%	0.399	38%	0.378	S	S	.	.			trans	-70.7	145.2	172.8	-177.6	0	0	0	0	110.7	N408 Q412 Q413	N408-S410 PolarHBondContact O-N 2.66Å; N408-S410 WeakPolarHBondContact OD1-CB 3.22Å; N408-S410 PolarHBondContact OD1-N 2.97Å; S410-Q412 PolarHBondContact O-N 2.83Å; S410-Q412 PolarHBondContact OG-N 3.37Å; S410-Q413 WeakPolarHBondContact O-CG 3.48Å
411	Q	78.3	Confident	90.5	Very high	205 Å²	205	76.1 Å²	76.1	96%	0.958	38%	0.379	S	S	*	.	S	Bend	trans	-67.2	-24.6	170.7	-70.6	-177.6	-7.6	0	0	112.5
412	Q	81.2	Confident	90.4	Very high	180 Å²	180	75 Å²	75	84%	0.841	38%	0.377	S	S	*	.	S	Bend	trans	-108.6	79.7	177.7	-67	-178	-9.4	0	0	109.5	S410	S410-Q412 PolarHBondContact O-N 2.83Å; S410-Q412 PolarHBondContact OG-N 3.37Å
413	Q	81.2	Confident	90.4	Very high	40 Å²	40	75.2 Å²	75.2	19%	0.187	38%	0.376	C	S	.	.			trans	-98.3	151.9	173.4	-80.3	176.7	-11.9	0	0	111.2	N407 N408 S410 N415 L418	N407-Q413 PolarHBondContact OD1-NE2 3.27Å; N408-Q413 VanDerWaalsContact OD1-CD 3.32Å; N408-Q413 WeakPolarHBondContact OD1-CG 3.49Å; N408-Q413 PolarHBondContact OD1-NE2 2.84Å; S410-Q413 WeakPolarHBondContact O-CG 3.48Å; Q413-N415 PolarHBondContact O-N 3.45Å; Q413-L418 HydrophobicContact CB-CD1 3.78Å; Q413-L418 HydrophobicContact CB-CG 4.19Å
414	D	88	Confident	90.4	Very high	76 Å²	76	71.6 Å²	71.6	41%	0.406	36%	0.359	S	S	.	.			trans	-69	113.1	172.5	-176.2	-7.1	0	0	0	109.6	E416 K417 L418	D414-E416 PolarHBondContact O-N 2.95Å; D414-E416 WeakPolarHBondContact OD1-CB 3.46Å; D414-E416 PolarHBondContact OD1-N 2.91Å; D414-K417 HydrophobicContact CB-CB 4.25Å; D414-K417 HydrophobicContact CB-CD 3.97Å; D414-K417 HydrophobicContact CB-CG 4.01Å; D414-K417 PolarHBondContact O-N 3.3Å; D414-K417 VanDerWaalsContact O-N 3.09Å; D414-K417 WeakPolarHBondContact OD2-CE 3.45Å; D414-L418 PolarHBondContact O-N 3.13Å; D414-L418 VanDerWaalsContact O-N 3.16Å
415	N	89.8	Confident	90.4	Very high	132 Å²	132	70.3 Å²	70.3	71%	0.706	35%	0.35	S	S	*	.	H	α-helix	trans	-56.9	-31.4	-179	-73.7	-27.3	0	0	0	112.1	Q413 L418 F419	Q413-N415 PolarHBondContact O-N 3.45Å; N415-L418 PolarHBondContact O-N 3.18Å; N415-F419 WeakPolarHBondContact O-CB 3.45Å; N415-F419 PolarHBondContact O-N 3.42Å
416	E	92.2	Very high	90.4	Very high	98 Å²	98	74.3 Å²	74.3	46%	0.458	37%	0.371	S	S	.	.	H	α-helix	trans	-67.4	-43.4	178.4	-171.4	177	-152.8	0	0	111.1	D414 L418 F419 W420	D414-E416 PolarHBondContact O-N 2.95Å; D414-E416 WeakPolarHBondContact OD1-CB 3.46Å; D414-E416 PolarHBondContact OD1-N 2.91Å; E416-L418 VanDerWaalsContact C-N 3.34Å; E416-L418 PolarHBondContact O-N 3.2Å; E416-F419 WeakPolarHBondContact O-CB 3.36Å; E416-F419 PolarHBondContact O-N 2.91Å; E416-W420 HydrophobicContact CG-CD2 4.14Å; E416-W420 HydrophobicContact CG-CH2 3.92Å; E416-W420 HydrophobicContact CG-CZ2 3.43Å; E416-W420 VanDerWaalsContact CG-CZ2 3.43Å; E416-W420 HydrophobicContact CG-CZ3 4.46Å; E416-W420 PolarHBondContact O-N 3.42Å; E416-W420 WeakPolarHBondContact OE1-CZ2 3.39Å
417	K	92.2	Very high	90.3	Very high	96 Å²	96	71.8 Å²	71.8	42%	0.417	36%	0.358	S	S	.	.	H	α-helix	trans	-65.7	-37.4	177.2	-64.9	-179.4	-171	170.6	0	112.2	I405 D414 F419 W420 L421	I405-K417 HydrophobicContact CG2-CB 4.15Å; I405-K417 HydrophobicContact CG2-CD 4.29Å; I405-K417 HydrophobicContact CG2-CG 3.98Å; D414-K417 HydrophobicContact CB-CB 4.25Å; D414-K417 HydrophobicContact CB-CD 3.97Å; D414-K417 HydrophobicContact CB-CG 4.01Å; D414-K417 PolarHBondContact O-N 3.3Å; D414-K417 VanDerWaalsContact O-N 3.09Å; D414-K417 WeakPolarHBondContact OD2-CE 3.45Å; K417-F419 VanDerWaalsContact C-N 3.35Å; K417-W420 HydrophobicContact CG-CE3 4.21Å; K417-W420 HydrophobicContact CG-CZ3 4.22Å; K417-W420 PolarHBondContact O-N 3.41Å; K417-L421 WeakPolarHBondContact O-CB 3.35Å; K417-L421 PolarHBondContact O-N 3.28Å
418	L	92.6	Very high	90.4	Very high	42 Å²	42	70.8 Å²	70.8	22%	0.22	35%	0.352	C	S	.	.	H	α-helix	trans	-66.5	-39.5	174.5	-68.4	174	0	0	0	111.6	Q413 D414 N415 E416 L421 L422 W445	Q413-L418 HydrophobicContact CB-CD1 3.78Å; Q413-L418 HydrophobicContact CB-CG 4.19Å; D414-L418 PolarHBondContact O-N 3.13Å; D414-L418 VanDerWaalsContact O-N 3.16Å; N415-L418 PolarHBondContact O-N 3.18Å; E416-L418 VanDerWaalsContact C-N 3.34Å; E416-L418 PolarHBondContact O-N 3.2Å; L418-L421 WeakPolarHBondContact O-CB 3.12Å; L418-L421 PolarHBondContact O-N 3.43Å; L418-L422 PolarHBondContact O-N 3.21Å; L418-W445 HydrophobicContact CD2-CH2 4.33Å; L418-W445 HydrophobicContact CD2-CZ3 3.76Å
419	F	93.5	Very high	90.7	Very high	111 Å²	111	68.1 Å²	68.1	49%	0.487	34%	0.341	S	S	.	.	H	α-helix	trans	-63.6	-42.1	174.4	-175.4	-114.1	0	0	0	111.8	N415 E416 K417 L421 L422 Q423	N415-F419 WeakPolarHBondContact O-CB 3.45Å; N415-F419 PolarHBondContact O-N 3.42Å; E416-F419 WeakPolarHBondContact O-CB 3.36Å; E416-F419 PolarHBondContact O-N 2.91Å; K417-F419 VanDerWaalsContact C-N 3.35Å; F419-L421 VanDerWaalsContact C-N 3.33Å; F419-L421 PolarHBondContact O-N 2.77Å; F419-L422 WeakPolarHBondContact O-CB 3.43Å; F419-L422 PolarHBondContact O-N 2.83Å; F419-Q423 HydrophobicContact CE1-CG 4.37Å; F419-Q423 HydrophobicContact CZ-CG 4.46Å; F419-Q423 VanDerWaalsContact CZ-NE2 3.34Å; F419-Q423 WeakPolarHBondContact O-CG 3.45Å; F419-Q423 PolarHBondContact O-N 3.35Å
420	W	95.6	Very high	91	Very high	16 Å²	16	69.2 Å²	69.2	6%	0.061	34%	0.343	C	S	.	.	H	α-helix	trans	-64.1	-35.9	172.9	-64.5	-24	0	0	0	113	H403 I405 E416 K417 Q423 L424 I455 V460	H403-W420 HydrophobicContact CB-CZ3 4.23Å; I405-W420 HydrophobicContact CD1-CB 3.79Å; I405-W420 HydrophobicContact CG2-CE3 4.04Å; E416-W420 HydrophobicContact CG-CD2 4.14Å; E416-W420 HydrophobicContact CG-CH2 3.92Å; E416-W420 HydrophobicContact CG-CZ2 3.43Å; E416-W420 VanDerWaalsContact CG-CZ2 3.43Å; E416-W420 HydrophobicContact CG-CZ3 4.46Å; E416-W420 PolarHBondContact O-N 3.42Å; E416-W420 WeakPolarHBondContact OE1-CZ2 3.39Å; K417-W420 HydrophobicContact CG-CE3 4.21Å; K417-W420 HydrophobicContact CG-CZ3 4.22Å; K417-W420 PolarHBondContact O-N 3.41Å; W420-Q423 PolarHBondContact O-N 3.07Å; W420-L424 WeakPolarHBondContact O-CB 3.47Å; W420-L424 PolarHBondContact O-N 3.48Å; W420-I455 HydrophobicContact CD2-CD1 3.46Å; W420-I455 VanDerWaalsContact CD2-CD1 3.46Å; W420-I455 HydrophobicContact CD2-CG1 4.47Å; W420-I455 HydrophobicContact CE3-CD1 3.75Å; W420-I455 HydrophobicContact CG-CD1 4.03Å; W420-I455 HydrophobicContact CH2-CD1 3.81Å; W420-I455 HydrophobicContact CZ2-CD1 3.5Å; W420-I455 VanDerWaalsContact CZ2-CD1 3.5Å; W420-I455 HydrophobicContact CZ3-CD1 3.92Å; W420-V460 HydrophobicContact CB-CG2 3.82Å; W420-V460 HydrophobicContact CG-CG2 4.05Å
421	L	94.8	Very high	91.3	Very high	2 Å²	2	69 Å²	69	1%	0.01	34%	0.335	C	S	.	.	H	α-helix	trans	-65	-41.1	175.5	-169	62.3	0	0	0	111.4	I405 N407 K417 L418 F419 L424 Q425 L444 W445 N451	I405-L421 HydrophobicContact CD1-CB 4.21Å; I405-L421 HydrophobicContact CD1-CD1 4.38Å; N407-L421 HydrophobicContact CB-CD2 4.3Å; K417-L421 WeakPolarHBondContact O-CB 3.35Å; K417-L421 PolarHBondContact O-N 3.28Å; L418-L421 WeakPolarHBondContact O-CB 3.12Å; L418-L421 PolarHBondContact O-N 3.43Å; F419-L421 VanDerWaalsContact C-N 3.33Å; F419-L421 PolarHBondContact O-N 2.77Å; L421-L424 PolarHBondContact O-N 3.08Å; L421-Q425 PolarHBondContact O-N 3.39Å; L421-L444 HydrophobicContact CD1-CB 4.45Å; L421-W445 HydrophobicContact CB-CH2 4.48Å; L421-W445 HydrophobicContact CD2-CD2 3.84Å; L421-W445 HydrophobicContact CD2-CE3 3.6Å; L421-W445 HydrophobicContact CD2-CH2 4.11Å; L421-W445 HydrophobicContact CD2-CZ2 4.33Å; L421-W445 HydrophobicContact CD2-CZ3 3.76Å; L421-W445 HydrophobicContact CG-CD2 4.44Å; L421-W445 HydrophobicContact CG-CH2 4.46Å; L421-W445 HydrophobicContact CG-CZ2 4.34Å; L421-N451 HydrophobicContact CD1-CB 4.5Å; L421-N451 VanDerWaalsContact CD1-ND2 3.34Å; L421-N451 WeakPolarHBondContact CD1-ND2 3.35Å
422	L	94.5	Very high	91.8	Very high	79 Å²	79	60.6 Å²	60.6	41%	0.414	30%	0.297	S	S	.	.	H	α-helix	trans	-63.8	-43	173.1	-176.8	67.4	0	0	0	112	L418 F419 Q425 N426 W445	L418-L422 PolarHBondContact O-N 3.21Å; F419-L422 WeakPolarHBondContact O-CB 3.43Å; F419-L422 PolarHBondContact O-N 2.83Å; L422-Q425 WeakPolarHBondContact O-CB 3.48Å; L422-Q425 PolarHBondContact O-N 3.33Å; L422-N426 PolarHBondContact O-N 3.45Å; L422-W445 HydrophobicContact CB-CZ2 4.41Å
423	Q	95.9	Very high	91.9	Very high	30 Å²	30	57.2 Å²	57.2	14%	0.14	29%	0.29	C	S	.	.	H	α-helix	trans	-63	-42	174.6	-72	-172.9	1	0	0	111.7	F419 W420 Q425 N426 V427 V460	F419-Q423 HydrophobicContact CE1-CG 4.37Å; F419-Q423 HydrophobicContact CZ-CG 4.46Å; F419-Q423 VanDerWaalsContact CZ-NE2 3.34Å; F419-Q423 WeakPolarHBondContact O-CG 3.45Å; F419-Q423 PolarHBondContact O-N 3.35Å; W420-Q423 PolarHBondContact O-N 3.07Å; Q423-Q425 VanDerWaalsContact C-N 3.31Å; Q423-Q425 PolarHBondContact O-N 2.96Å; Q423-N426 WeakPolarHBondContact O-CB 3.22Å; Q423-N426 PolarHBondContact O-N 3.19Å; Q423-N426 VanDerWaalsContact O-N 3.16Å; Q423-V427 WeakPolarHBondContact O-CG2 3.29Å; Q423-V427 PolarHBondContact O-N 3.43Å; Q423-V460 HydrophobicContact CB-CB 3.96Å; Q423-V460 HydrophobicContact CB-CG2 4.01Å
424	L	95.9	Very high	92.2	Very high	0 Å²	0	65.7 Å²	65.7	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-61	-41	176.5	177.6	61.7	0	0	0	111.5	W420 L421 N426 V427 I428 L444 N451 V453 V460	W420-L424 WeakPolarHBondContact O-CB 3.47Å; W420-L424 PolarHBondContact O-N 3.48Å; L421-L424 PolarHBondContact O-N 3.08Å; L424-N426 VanDerWaalsContact C-N 3.31Å; L424-N426 PolarHBondContact O-N 2.95Å; L424-V427 PolarHBondContact O-N 3.5Å; L424-I428 HydrophobicContact CD1-CD1 3.77Å; L424-I428 HydrophobicContact CD1-CG1 4.02Å; L424-I428 HydrophobicContact CD2-CD1 4.28Å; L424-I428 HydrophobicContact CG-CD1 3.77Å; L424-I428 HydrophobicContact CG-CG1 4.38Å; L424-I428 WeakPolarHBondContact O-CG1 3.35Å; L424-I428 PolarHBondContact O-N 3.34Å; L424-L444 HydrophobicContact CD2-CD2 3.99Å; L424-L444 HydrophobicContact CG-CD2 4.4Å; L424-N451 HydrophobicContact CD2-CB 3.6Å; L424-V453 HydrophobicContact CB-CG1 4.26Å; L424-V453 HydrophobicContact CD1-CG1 4.32Å; L424-V453 HydrophobicContact CD2-CG1 3.75Å; L424-V453 HydrophobicContact CG-CG1 4.32Å; L424-V460 HydrophobicContact CB-CG1 4.32Å; L424-V460 HydrophobicContact CD1-CG1 4.34Å
425	Q	95.7	Very high	92.2	Very high	27 Å²	27	64.6 Å²	64.6	13%	0.126	31%	0.314	C	S	.	.	H	α-helix	trans	-56.2	-47.7	173.7	-179.4	-178.4	-24.7	0	0	110.9	L421 L422 Q423 V427 I428 S429 V440 L444	L421-Q425 PolarHBondContact O-N 3.39Å; L422-Q425 WeakPolarHBondContact O-CB 3.48Å; L422-Q425 PolarHBondContact O-N 3.33Å; Q423-Q425 VanDerWaalsContact C-N 3.31Å; Q423-Q425 PolarHBondContact O-N 2.96Å; Q425-V427 VanDerWaalsContact C-N 3.35Å; Q425-V427 PolarHBondContact O-N 3.3Å; Q425-I428 PolarHBondContact O-N 3.43Å; Q425-S429 WeakPolarHBondContact O-CB 3.39Å; Q425-S429 PolarHBondContact O-N 3.32Å; Q425-S429 PolarHBondContact O-OG 3.44Å; Q425-V440 HydrophobicContact CG-CG1 4.43Å; Q425-L444 VanDerWaalsContact CA-CD1 3.44Å; Q425-L444 HydrophobicContact CB-CD1 3.7Å; Q425-L444 HydrophobicContact CG-CD1 4.11Å
426	N	93.7	Very high	92.3	Very high	87 Å²	87	61.9 Å²	61.9	47%	0.465	30%	0.304	S	S	.	.	H	α-helix	trans	-60.8	-42.6	177.2	-70	-25	0	0	0	112.3	L422 Q423 L424 Q430	L422-N426 PolarHBondContact O-N 3.45Å; Q423-N426 WeakPolarHBondContact O-CB 3.22Å; Q423-N426 PolarHBondContact O-N 3.19Å; Q423-N426 VanDerWaalsContact O-N 3.16Å; L424-N426 VanDerWaalsContact C-N 3.31Å; L424-N426 PolarHBondContact O-N 2.95Å; N426-Q430 WeakPolarHBondContact O-CB 3.48Å; N426-Q430 VanDerWaalsContact O-CG 3.26Å; N426-Q430 WeakPolarHBondContact O-CG 3.32Å; N426-Q430 PolarHBondContact O-N 3.24Å; N426-Q430 VanDerWaalsContact O-N 3.07Å
427	V	93.4	Very high	92.3	Very high	9 Å²	9	61.7 Å²	61.7	6%	0.055	31%	0.305	C	S	.	.	H	α-helix	trans	-61.8	-48.8	176.6	173.9	0	0	0	0	110.9	Q423 L424 Q425 Q430 Q431 A481 V483	Q423-V427 WeakPolarHBondContact O-CG2 3.29Å; Q423-V427 PolarHBondContact O-N 3.43Å; L424-V427 PolarHBondContact O-N 3.5Å; Q425-V427 VanDerWaalsContact C-N 3.35Å; Q425-V427 PolarHBondContact O-N 3.3Å; V427-Q430 PolarHBondContact O-N 3.17Å; V427-Q431 HydrophobicContact CG1-CG 4.28Å; V427-Q431 WeakPolarHBondContact O-CB 3.34Å; V427-Q431 VanDerWaalsContact O-CG 3.28Å; V427-Q431 WeakPolarHBondContact O-CG 3.49Å; V427-Q431 PolarHBondContact O-N 3.41Å; V427-A481 HydrophobicContact CG1-CB 4.21Å; V427-V483 HydrophobicContact CB-CG2 4.48Å; V427-V483 HydrophobicContact CG1-CG2 3.87Å; V427-V483 HydrophobicContact CG2-CG2 3.8Å
428	I	94.2	Very high	92.3	Very high	0 Å²	0	64 Å²	64	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-64.6	-45	-178.6	-71.7	170.5	0	0	0	111	L424 Q425 Q430 Q431 L432 V440 L444 F479 A481	L424-I428 HydrophobicContact CD1-CD1 3.77Å; L424-I428 HydrophobicContact CD1-CG1 4.02Å; L424-I428 HydrophobicContact CD2-CD1 4.28Å; L424-I428 HydrophobicContact CG-CD1 3.77Å; L424-I428 HydrophobicContact CG-CG1 4.38Å; L424-I428 WeakPolarHBondContact O-CG1 3.35Å; L424-I428 PolarHBondContact O-N 3.34Å; Q425-I428 PolarHBondContact O-N 3.43Å; I428-Q430 VanDerWaalsContact C-N 3.28Å; I428-Q430 PolarHBondContact O-N 2.81Å; I428-Q431 PolarHBondContact O-N 3.46Å; I428-L432 HydrophobicContact CG2-CD1 4.18Å; I428-L432 WeakPolarHBondContact O-CB 3.19Å; I428-L432 PolarHBondContact O-N 3.17Å; I428-V440 HydrophobicContact CB-CG1 4.19Å; I428-V440 HydrophobicContact CG2-CG1 3.61Å; I428-V440 HydrophobicContact CG2-CG2 4.2Å; I428-L444 HydrophobicContact CD1-CD1 3.91Å; I428-L444 HydrophobicContact CD1-CD2 3.67Å; I428-L444 HydrophobicContact CD1-CG 4.3Å; I428-F479 HydrophobicContact CD1-CB 3.81Å; I428-F479 HydrophobicContact CD1-CD2 4.16Å; I428-F479 HydrophobicContact CD1-CG 4.3Å; I428-F479 HydrophobicContact CG1-CB 4.35Å; I428-F479 HydrophobicContact CG2-CB 4.16Å; I428-F479 HydrophobicContact CG2-CD1 4.32Å; I428-F479 HydrophobicContact CG2-CD2 4.22Å; I428-F479 HydrophobicContact CG2-CG 4Å; I428-A481 HydrophobicContact CG1-CB 4.04Å
429	S	92.6	Very high	92.4	Very high	30 Å²	30	63.6 Å²	63.6	21%	0.21	31%	0.313	C	S	.	.	H	α-helix	trans	-63.1	-33.5	178.9	-63.4	0	0	0	0	112.9	Q425 L437	Q425-S429 WeakPolarHBondContact O-CB 3.39Å; Q425-S429 PolarHBondContact O-N 3.32Å; Q425-S429 PolarHBondContact O-OG 3.44Å; S429-L437 WeakPolarHBondContact OG-CD1 3.49Å
430	Q	90.7	Very high	92.4	Very high	136 Å²	136	58.3 Å²	58.3	64%	0.636	29%	0.29	S	S	*	.	H	α-helix	trans	-74.9	-40.2	174.8	-73.6	177.7	1.6	0	0	113	N426 V427 I428	N426-Q430 WeakPolarHBondContact O-CB 3.48Å; N426-Q430 VanDerWaalsContact O-CG 3.26Å; N426-Q430 WeakPolarHBondContact O-CG 3.32Å; N426-Q430 PolarHBondContact O-N 3.24Å; N426-Q430 VanDerWaalsContact O-N 3.07Å; V427-Q430 PolarHBondContact O-N 3.17Å; I428-Q430 VanDerWaalsContact C-N 3.28Å; I428-Q430 PolarHBondContact O-N 2.81Å
431	Q	90.5	Very high	92.4	Very high	52 Å²	52	58.7 Å²	58.7	24%	0.243	30%	0.297	C	S	.	.	H	α-helix	trans	-84	-22.8	-175.5	-61	-53.1	-53.5	0	0	113.4	V427 I428 P433 A481 V482	V427-Q431 HydrophobicContact CG1-CG 4.28Å; V427-Q431 WeakPolarHBondContact O-CB 3.34Å; V427-Q431 VanDerWaalsContact O-CG 3.28Å; V427-Q431 WeakPolarHBondContact O-CG 3.49Å; V427-Q431 PolarHBondContact O-N 3.41Å; I428-Q431 PolarHBondContact O-N 3.46Å; Q431-P433 VanDerWaalsContact C-CD 3.43Å; Q431-P433 WeakPolarHBondContact O-CD 3.38Å; Q431-A481 HydrophobicContact CB-CB 3.87Å; Q431-A481 HydrophobicContact CG-CB 4.14Å; Q431-V482 PolarHBondContact OE1-O 2.88Å
432	L	88.9	Confident	92.4	Very high	29 Å²	29	66.7 Å²	66.7	15%	0.152	33%	0.326	C	S	.	.			trans	-121.6	66.2	179.4	-59.9	-179.8	0	0	0	111.5	I428 R434 M435 F479	I428-L432 HydrophobicContact CG2-CD1 4.18Å; I428-L432 WeakPolarHBondContact O-CB 3.19Å; I428-L432 PolarHBondContact O-N 3.17Å; L432-R434 PolarHBondContact O-N 2.82Å; L432-M435 HydrophobicContact CB-CG 4.16Å; L432-M435 PolarHBondContact O-N 3.41Å; L432-F479 HydrophobicContact CD1-CB 4.35Å; L432-F479 HydrophobicContact CD1-CD1 3.95Å
433	P	85.3	Confident	92.4	Very high	109 Å²	109	63.8 Å²	63.8	71%	0.708	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-14.1	-174.1	27.6	-36.6	0	0	0	114.3	Q431 M435	Q431-P433 VanDerWaalsContact C-CD 3.43Å; Q431-P433 WeakPolarHBondContact O-CD 3.38Å; P433-M435 VanDerWaalsContact C-N 3.31Å
434	R	86.5	Confident	92.4	Very high	218 Å²	218	62.3 Å²	62.3	82%	0.823	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-17.1	174.9	-67.2	-174.5	177.7	-178.4	0.3	113.1	L432	L432-R434 PolarHBondContact O-N 2.82Å
435	M	88.6	Confident	92.3	Very high	54 Å²	54	66.1 Å²	66.1	27%	0.266	32%	0.319	S	S	.	.	S	Bend	trans	-89	127.8	-179.9	-65.9	-65.5	-178	0	0	110.3	L432 P433 L437 Y439 V440 F479 Y546	L432-M435 HydrophobicContact CB-CG 4.16Å; L432-M435 PolarHBondContact O-N 3.41Å; P433-M435 VanDerWaalsContact C-N 3.31Å; M435-L437 PolarHBondContact O-N 2.98Å; M435-Y439 HydrophobicContact SD-CD1 4.43Å; M435-Y439 HydrophobicContact SD-CE1 4.44Å; M435-V440 HydrophobicContact CB-CG2 3.71Å; M435-F479 HydrophobicContact CG-CE1 4.2Å; M435-F479 HydrophobicContact SD-CE1 4.42Å; M435-Y546 HydrophobicContact CE-CD1 3.7Å; M435-Y546 HydrophobicContact CE-CE1 3.52Å; M435-Y546 HydrophobicContact SD-CD1 4.28Å; M435-Y546 HydrophobicContact SD-CE1 3.88Å
436	P	91.9	Very high	92.2	Very high	75 Å²	75	67 Å²	67	49%	0.487	32%	0.324	S	S	.	.			trans	-57.8	137.9	176.8	-24.6	33.8	0	0	0	112	E438 Y439 V440	P436-E438 VanDerWaalsContact C-N 3.28Å; P436-E438 PolarHBondContact O-N 3.07Å; P436-Y439 WeakPolarHBondContact O-CB 3.36Å; P436-Y439 PolarHBondContact O-N 3.48Å; P436-V440 WeakPolarHBondContact O-CG2 3.4Å; P436-V440 PolarHBondContact O-N 2.85Å
437	L	91.3	Very high	92.2	Very high	93 Å²	93	67 Å²	67	49%	0.487	32%	0.322	S	S	.	.	H	α-helix	trans	-60.2	-39.7	-176.7	-178.2	63.1	0	0	0	111.7	S429 M435 Y439 V440 A441	S429-L437 WeakPolarHBondContact OG-CD1 3.49Å; M435-L437 PolarHBondContact O-N 2.98Å; L437-Y439 VanDerWaalsContact C-N 3.3Å; L437-Y439 PolarHBondContact O-N 3.21Å; L437-V440 PolarHBondContact O-N 2.93Å; L437-A441 WeakPolarHBondContact O-CB 3.5Å; L437-A441 PolarHBondContact O-N 3.42Å
438	E	93.4	Very high	92.3	Very high	144 Å²	144	72.1 Å²	72.1	67%	0.673	34%	0.343	S	S	*	.	H	α-helix	trans	-65.5	-36	177.9	-56.9	75.5	-163.1	0	0	111.3	P436 R442	P436-E438 VanDerWaalsContact C-N 3.28Å; P436-E438 PolarHBondContact O-N 3.07Å; E438-R442 VanDerWaalsContact O-CB 3.26Å; E438-R442 WeakPolarHBondContact O-CB 3.41Å; E438-R442 PolarHBondContact O-N 2.79Å
439	Y	94.1	Very high	92.4	Very high	35 Å²	35	72.4 Å²	72.4	14%	0.137	34%	0.344	C	S	.	.	H	α-helix	trans	-66.8	-48.3	175.6	178.5	-107.7	0	0	0	111.1	M435 P436 L437 A441 R442 I443 F479 Y546	M435-Y439 HydrophobicContact SD-CD1 4.43Å; M435-Y439 HydrophobicContact SD-CE1 4.44Å; P436-Y439 WeakPolarHBondContact O-CB 3.36Å; P436-Y439 PolarHBondContact O-N 3.48Å; L437-Y439 VanDerWaalsContact C-N 3.3Å; L437-Y439 PolarHBondContact O-N 3.21Å; Y439-A441 PolarHBondContact O-N 2.67Å; Y439-R442 PolarHBondContact O-N 3.48Å; Y439-I443 HydrophobicContact CD2-CG1 4.28Å; Y439-I443 HydrophobicContact CE1-CG1 4.17Å; Y439-I443 HydrophobicContact CE2-CD1 4.06Å; Y439-I443 HydrophobicContact CE2-CG1 3.81Å; Y439-I443 WeakPolarHBondContact O-CG1 3.33Å; Y439-I443 PolarHBondContact O-N 2.95Å; Y439-F479 HydrophobicContact CD1-CE1 4.34Å; Y439-F479 AromaticContact CD1-CZ 3.91Å; Y439-F479 HydrophobicContact CD1-CZ 3.91Å; Y439-F479 AromaticContact CE1-CE1 3.98Å; Y439-F479 HydrophobicContact CE1-CE1 3.98Å; Y439-F479 AromaticContact CE1-CZ 3.67Å; Y439-F479 HydrophobicContact CE1-CZ 3.67Å; Y439-Y546 HydrophobicContact CE1-CE1 4.01Å; Y439-Y546 PolarHBondContact OH-OH 3.25Å
440	V	94	Very high	92.6	Very high	0 Å²	0	74.3 Å²	74.3	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-58.2	-49.1	177.5	173.5	0	0	0	0	110.4	Q425 I428 M435 P436 L437 R442 I443 L444 F479	Q425-V440 HydrophobicContact CG-CG1 4.43Å; I428-V440 HydrophobicContact CB-CG1 4.19Å; I428-V440 HydrophobicContact CG2-CG1 3.61Å; I428-V440 HydrophobicContact CG2-CG2 4.2Å; M435-V440 HydrophobicContact CB-CG2 3.71Å; P436-V440 WeakPolarHBondContact O-CG2 3.4Å; P436-V440 PolarHBondContact O-N 2.85Å; L437-V440 PolarHBondContact O-N 2.93Å; V440-R442 PolarHBondContact O-N 2.78Å; V440-I443 PolarHBondContact O-N 2.64Å; V440-L444 HydrophobicContact CG1-CD1 3.61Å; V440-L444 HydrophobicContact CG1-CG 4.27Å; V440-L444 WeakPolarHBondContact O-CB 3.41Å; V440-L444 WeakPolarHBondContact O-CG 3.47Å; V440-L444 PolarHBondContact O-N 3.3Å; V440-F479 HydrophobicContact CB-CZ 4.42Å; V440-F479 HydrophobicContact CG1-CE2 4.38Å; V440-F479 HydrophobicContact CG2-CE1 4.34Å; V440-F479 HydrophobicContact CG2-CE2 4.48Å; V440-F479 HydrophobicContact CG2-CZ 4Å
441	A	94.7	Very high	92.9	Very high	24 Å²	24	67.8 Å²	67.8	20%	0.198	32%	0.318	C	S	.	.	H	α-helix	trans	-59.2	-49.3	177.6	0	0	0	0	0	111.3	L437 Y439 I443 L444 W445	L437-A441 WeakPolarHBondContact O-CB 3.5Å; L437-A441 PolarHBondContact O-N 3.42Å; Y439-A441 PolarHBondContact O-N 2.67Å; A441-I443 VanDerWaalsContact C-N 3.29Å; A441-I443 PolarHBondContact O-N 3.31Å; A441-L444 PolarHBondContact O-N 3.12Å; A441-W445 WeakPolarHBondContact O-CB 3.47Å; A441-W445 PolarHBondContact O-N 2.84Å
442	R	95	Very high	93.2	Very high	169 Å²	169	65.5 Å²	65.5	64%	0.638	31%	0.308	S	S	*	.	H	α-helix	trans	-57.2	-41.9	-179.4	-175.8	177.6	65.9	-175.6	1.1	112.8	E438 Y439 V440 D446	E438-R442 VanDerWaalsContact O-CB 3.26Å; E438-R442 WeakPolarHBondContact O-CB 3.41Å; E438-R442 PolarHBondContact O-N 2.79Å; Y439-R442 PolarHBondContact O-N 3.48Å; V440-R442 PolarHBondContact O-N 2.78Å; R442-D446 WeakPolarHBondContact O-CB 3.3Å; R442-D446 PolarHBondContact O-N 3.27Å
443	I	95.2	Very high	93.6	Very high	18 Å²	18	64.1 Å²	64.1	9%	0.092	30%	0.301	C	S	.	.	H	α-helix	trans	-72.8	-47.6	-179.6	-66.2	-61.5	0	0	0	111.4	Y439 V440 A441 W445 D446 V478 F479	Y439-I443 HydrophobicContact CD2-CG1 4.28Å; Y439-I443 HydrophobicContact CE1-CG1 4.17Å; Y439-I443 HydrophobicContact CE2-CD1 4.06Å; Y439-I443 HydrophobicContact CE2-CG1 3.81Å; Y439-I443 WeakPolarHBondContact O-CG1 3.33Å; Y439-I443 PolarHBondContact O-N 2.95Å; V440-I443 PolarHBondContact O-N 2.64Å; A441-I443 VanDerWaalsContact C-N 3.29Å; A441-I443 PolarHBondContact O-N 3.31Å; I443-W445 VanDerWaalsContact C-N 3.28Å; I443-W445 PolarHBondContact O-N 3.4Å; I443-D446 PolarHBondContact O-N 3.27Å; I443-V478 HydrophobicContact CG2-CB 4.34Å; I443-V478 HydrophobicContact CG2-CG1 3.87Å; I443-F479 HydrophobicContact CB-CE2 3.76Å; I443-F479 HydrophobicContact CB-CZ 4.24Å; I443-F479 HydrophobicContact CG1-CE2 4.41Å; I443-F479 HydrophobicContact CG1-CZ 4.4Å; I443-F479 HydrophobicContact CG2-CD2 4.23Å; I443-F479 HydrophobicContact CG2-CE2 3.58Å; I443-F479 HydrophobicContact CG2-CZ 4.28Å
444	L	94.3	Very high	94.2	Very high	0 Å²	0	59 Å²	59	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-63.5	-35.7	-177.7	-72.9	175.4	0	0	0	112.8	L421 L424 Q425 I428 V440 A441 N451 C465 F479	L421-L444 HydrophobicContact CD1-CB 4.45Å; L424-L444 HydrophobicContact CD2-CD2 3.99Å; L424-L444 HydrophobicContact CG-CD2 4.4Å; Q425-L444 VanDerWaalsContact CA-CD1 3.44Å; Q425-L444 HydrophobicContact CB-CD1 3.7Å; Q425-L444 HydrophobicContact CG-CD1 4.11Å; I428-L444 HydrophobicContact CD1-CD1 3.91Å; I428-L444 HydrophobicContact CD1-CD2 3.67Å; I428-L444 HydrophobicContact CD1-CG 4.3Å; V440-L444 HydrophobicContact CG1-CD1 3.61Å; V440-L444 HydrophobicContact CG1-CG 4.27Å; V440-L444 WeakPolarHBondContact O-CB 3.41Å; V440-L444 WeakPolarHBondContact O-CG 3.47Å; V440-L444 PolarHBondContact O-N 3.3Å; A441-L444 PolarHBondContact O-N 3.12Å; L444-N451 WeakPolarHBondContact CD2-OD1 3.5Å; L444-C465 HydrophobicContact CD2-CB 3.8Å; L444-F479 HydrophobicContact CD2-CD2 4.25Å; L444-F479 HydrophobicContact CG-CD2 4.42Å; L444-F479 HydrophobicContact CG-CE2 4.48Å
445	W	94.6	Very high	94.6	Very high	80 Å²	80	48.8 Å²	48.8	30%	0.303	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-1.9	-179.8	-68.8	96.8	0	0	0	113.9	N407 L418 L421 L422 A441 I443	N407-W445 HydrophobicContact CB-CE3 4.47Å; N407-W445 WeakPolarHBondContact CB-O 3.29Å; N407-W445 PolarHBondContact ND2-O 3.5Å; L418-W445 HydrophobicContact CD2-CH2 4.33Å; L418-W445 HydrophobicContact CD2-CZ3 3.76Å; L421-W445 HydrophobicContact CB-CH2 4.48Å; L421-W445 HydrophobicContact CD2-CD2 3.84Å; L421-W445 HydrophobicContact CD2-CE3 3.6Å; L421-W445 HydrophobicContact CD2-CH2 4.11Å; L421-W445 HydrophobicContact CD2-CZ2 4.33Å; L421-W445 HydrophobicContact CD2-CZ3 3.76Å; L421-W445 HydrophobicContact CG-CD2 4.44Å; L421-W445 HydrophobicContact CG-CH2 4.46Å; L421-W445 HydrophobicContact CG-CZ2 4.34Å; L422-W445 HydrophobicContact CB-CZ2 4.41Å; A441-W445 WeakPolarHBondContact O-CB 3.47Å; A441-W445 PolarHBondContact O-N 2.84Å; I443-W445 VanDerWaalsContact C-N 3.28Å; I443-W445 PolarHBondContact O-N 3.4Å
446	D	94.5	Very high	94.8	Very high	45 Å²	45	48.4 Å²	48.4	24%	0.241	23%	0.226	C	C	.	.			trans	-76.6	124.8	174.6	-178.6	-4.5	0	0	0	110.9	R442 I443 K448 H449	R442-D446 WeakPolarHBondContact O-CB 3.3Å; R442-D446 PolarHBondContact O-N 3.27Å; I443-D446 PolarHBondContact O-N 3.27Å; D446-K448 PolarHBondContact O-N 2.86Å; D446-K448 VanDerWaalsContact O-N 3.08Å; D446-K448 PolarHBondContact OD1-N 3.27Å; D446-H449 PolarHBondContact O-N 2.94Å; D446-H449 IonicContact OD2-CE1 3.99Å; D446-H449 IonicContact OD2-ND1 3.01Å; D446-H449 PolarHBondContact OD2-ND1 3.18Å
447	H	93.6	Very high	94.7	Very high	88 Å²	88	51.2 Å²	51.2	41%	0.407	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-23.2	176.2	72	-59.4	0	0	0	116	N407 L409 H449	N407-H447 WeakPolarHBondContact O-CA 3.39Å; N407-H447 WeakPolarHBondContact O-CB 3.46Å; L409-H447 HydrophobicContact CD1-CB 3.84Å; L409-H447 HydrophobicContact CG-CB 3.87Å; H447-H449 VanDerWaalsContact C-N 3.27Å
448	K	93.7	Very high	94.5	Very high	116 Å²	116	51 Å²	51	50%	0.504	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-18.3	176.1	-64	-179.3	-178.2	177.8	0	112.7	D446	D446-K448 PolarHBondContact O-N 2.86Å; D446-K448 VanDerWaalsContact O-N 3.08Å; D446-K448 PolarHBondContact OD1-N 3.27Å
449	H	96.1	Very high	94.5	Very high	6 Å²	6	48.9 Å²	48.9	3%	0.028	24%	0.235	C	C	.	.			trans	-96.6	146.7	177.4	-63.9	80.3	0	0	0	110.3	N406 D446 H447	N406-H449 WeakPolarHBondContact CB-O 3.29Å; D446-H449 PolarHBondContact O-N 2.94Å; D446-H449 IonicContact OD2-CE1 3.99Å; D446-H449 IonicContact OD2-ND1 3.01Å; D446-H449 PolarHBondContact OD2-ND1 3.18Å; H447-H449 VanDerWaalsContact C-N 3.27Å
450	K	96.9	Very high	94.6	Very high	69 Å²	69	47.3 Å²	47.3	30%	0.3	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	150.9	172.7	-66.9	-177.5	-178.1	177.7	0	108.8	V404 N406 F466 F502	V404-K450 HydrophobicContact CG1-CB 4.33Å; V404-K450 HydrophobicContact CG1-CD 4.48Å; N406-K450 HydrophobicContact CB-CG 4.26Å; K450-F466 HydrophobicContact CB-CD2 4.49Å; K450-F466 HydrophobicContact CB-CE1 3.96Å; K450-F466 HydrophobicContact CB-CE2 3.89Å; K450-F466 HydrophobicContact CB-CZ 3.6Å; K450-F466 HydrophobicContact CD-CE2 4.41Å; K450-F466 HydrophobicContact CD-CZ 4.41Å; K450-F466 PolarHBondContact N-O 2.6Å; K450-F466 VanDerWaalsContact O-CD1 3.26Å; K450-F466 WeakPolarHBondContact O-CD1 3.3Å; K450-F466 PolarHBondContact O-N 3.48Å; K450-F502 HydrophobicContact CD-CZ 4.41Å
451	N	97.7	Very high	94.6	Very high	0 Å²	0	48 Å²	48	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	122.1	-176.9	-55.7	-78.1	0	0	0	108.5	V404 I405 L421 L424 L444 I464 C465	V404-N451 CarbonylContact C-O 3.52Å; V404-N451 WeakPolarHBondContact CA-O 3.27Å; I405-N451 HydrophobicContact CG1-CB 3.91Å; I405-N451 PolarHBondContact N-O 3.24Å; I405-N451 PolarHBondContact O-N 2.84Å; L421-N451 HydrophobicContact CD1-CB 4.5Å; L421-N451 VanDerWaalsContact CD1-ND2 3.34Å; L421-N451 WeakPolarHBondContact CD1-ND2 3.35Å; L424-N451 HydrophobicContact CD2-CB 3.6Å; L444-N451 WeakPolarHBondContact CD2-OD1 3.5Å; N451-I464 CarbonylContact C-O 3.45Å; N451-I464 WeakPolarHBondContact CA-O 3.3Å; N451-C465 VanDerWaalsContact OD1-CB 3.27Å; N451-C465 WeakPolarHBondContact OD1-CB 3.1Å; N451-C465 PolarHBondContact OD1-SG 3Å
452	I	97.7	Very high	94.6	Very high	4 Å²	4	46.9 Å²	46.9	2%	0.021	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	126.5	165.8	-165.7	173	0	0	0	107.9	V402 H403 V404 G463 I464 F466 L495 H498 L499	V402-I452 HydrophobicContact CG1-CD1 3.66Å; V402-I452 HydrophobicContact CG1-CG1 3.63Å; H403-I452 CarbonylContact O-C 3.55Å; H403-I452 WeakPolarHBondContact O-CA 3.13Å; V404-I452 HydrophobicContact CG2-CB 4.26Å; V404-I452 HydrophobicContact CG2-CD1 4.26Å; V404-I452 HydrophobicContact CG2-CG1 4Å; I452-G463 CarbonylContact O-C 3.53Å; I452-G463 WeakPolarHBondContact O-CA 3.38Å; I452-I464 HydrophobicContact CG2-CB 3.74Å; I452-I464 HydrophobicContact CG2-CG1 4.41Å; I452-I464 PolarHBondContact N-O 3.35Å; I452-I464 PolarHBondContact O-N 3.38Å; I452-F466 HydrophobicContact CB-CE1 4.33Å; I452-F466 HydrophobicContact CG2-CE1 4.42Å; I452-L495 HydrophobicContact CB-CD1 4.23Å; I452-L495 HydrophobicContact CD1-CD1 4.04Å; I452-L495 HydrophobicContact CG1-CD1 3.69Å; I452-L495 HydrophobicContact CG2-CD1 3.83Å; I452-L495 HydrophobicContact CG2-CG 4.04Å; I452-H498 HydrophobicContact CD1-CB 3.74Å; I452-L499 HydrophobicContact CG2-CB 4.44Å; I452-L499 HydrophobicContact CG2-CD1 3.83Å
453	V	97.5	Very high	94.7	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	146	-176.9	-66.3	0	0	0	0	110.7	V402 H403 I405 L424 I455 V460 A462	V402-V453 WeakPolarHBondContact CA-O 3.23Å; H403-V453 HydrophobicContact CB-CG2 4.13Å; H403-V453 PolarHBondContact N-O 2.96Å; H403-V453 WeakPolarHBondContact O-CG2 3.24Å; H403-V453 PolarHBondContact O-N 3.2Å; I405-V453 HydrophobicContact CD1-CG1 3.76Å; I405-V453 HydrophobicContact CD1-CG2 3.98Å; I405-V453 HydrophobicContact CG1-CG1 4.2Å; I405-V453 HydrophobicContact CG1-CG2 4.34Å; I405-V453 HydrophobicContact CG2-CG2 4.44Å; L424-V453 HydrophobicContact CB-CG1 4.26Å; L424-V453 HydrophobicContact CD1-CG1 4.32Å; L424-V453 HydrophobicContact CD2-CG1 3.75Å; L424-V453 HydrophobicContact CG-CG1 4.32Å; V453-I455 HydrophobicContact CG2-CD1 4.08Å; V453-I455 HydrophobicContact CG2-CG1 4.37Å; V453-V460 HydrophobicContact CB-CG1 4.13Å; V453-V460 HydrophobicContact CB-CG2 4.42Å; V453-V460 HydrophobicContact CG1-CG1 4.15Å; V453-A462 WeakPolarHBondContact CA-O 3.46Å
454	L	96.6	Very high	94.9	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	122.4	171.6	-165	151.3	0	0	0	109	I400 F401 V402 I461 A462 Y491 L495	I400-L454 HydrophobicContact CB-CD2 4.18Å; I400-L454 HydrophobicContact CD1-CD1 4.3Å; I400-L454 HydrophobicContact CD1-CD2 4.38Å; I400-L454 HydrophobicContact CG2-CD2 4.31Å; F401-L454 WeakPolarHBondContact O-CA 3.36Å; V402-L454 HydrophobicContact CG2-CD1 4.2Å; V402-L454 HydrophobicContact CG2-CG 4.22Å; L454-I461 HydrophobicContact CD2-CD1 3.42Å; L454-I461 VanDerWaalsContact CD2-CD1 3.42Å; L454-I461 HydrophobicContact CD2-CG1 3.4Å; L454-I461 WeakPolarHBondContact O-CG1 3.38Å; L454-I461 PolarHBondContact O-N 2.82Å; L454-A462 HydrophobicContact CB-CB 4.09Å; L454-A462 PolarHBondContact N-O 3.27Å; L454-A462 PolarHBondContact O-N 3.22Å; L454-Y491 HydrophobicContact CD1-CD1 3.94Å; L454-Y491 HydrophobicContact CD1-CG 4.36Å; L454-Y491 HydrophobicContact CD2-CD1 4.02Å; L454-Y491 HydrophobicContact CD2-CG 4.4Å; L454-L495 HydrophobicContact CB-CD1 4.26Å
455	I	95.3	Very high	95	Very high	5 Å²	5	38 Å²	38	3%	0.026	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	134.2	-174.5	-63.9	153	0	0	0	109.1	I400 F401 W420 V453 I459 V460	I400-I455 CarbonylContact C-O 3.52Å; I400-I455 WeakPolarHBondContact CA-O 3.47Å; F401-I455 PolarHBondContact N-O 3.46Å; F401-I455 PolarHBondContact O-N 3.04Å; W420-I455 HydrophobicContact CD2-CD1 3.46Å; W420-I455 VanDerWaalsContact CD2-CD1 3.46Å; W420-I455 HydrophobicContact CD2-CG1 4.47Å; W420-I455 HydrophobicContact CE3-CD1 3.75Å; W420-I455 HydrophobicContact CG-CD1 4.03Å; W420-I455 HydrophobicContact CH2-CD1 3.81Å; W420-I455 HydrophobicContact CZ2-CD1 3.5Å; W420-I455 VanDerWaalsContact CZ2-CD1 3.5Å; W420-I455 HydrophobicContact CZ3-CD1 3.92Å; V453-I455 HydrophobicContact CG2-CD1 4.08Å; V453-I455 HydrophobicContact CG2-CG1 4.37Å; I455-I459 CarbonylContact C-O 3.6Å; I455-I459 VanDerWaalsContact CA-O 3.32Å; I455-I459 WeakPolarHBondContact CA-O 3.32Å; I455-V460 HydrophobicContact CG1-CG2 3.93Å
456	K	92.3	Very high	95.2	Very high	45 Å²	45	34.2 Å²	34.2	20%	0.196	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	126.2	174.5	-175	172.1	-174.5	173.1	0	108.2	E394 I400 S458 I459 I461 E486 Y491	E394-K456 IonicContact OE2-NZ 3.74Å; I400-K456 HydrophobicContact CG2-CB 3.98Å; I400-K456 HydrophobicContact CG2-CD 4.01Å; I400-K456 HydrophobicContact CG2-CG 3.91Å; K456-S458 VanDerWaalsContact C-N 3.28Å; K456-S458 PolarHBondContact O-N 2.98Å; K456-I459 PolarHBondContact N-O 2.76Å; K456-I459 PolarHBondContact O-N 3.34Å; K456-I459 VanDerWaalsContact O-N 3.08Å; K456-I461 HydrophobicContact CB-CD1 3.75Å; K456-I461 HydrophobicContact CB-CG1 4.17Å; K456-I461 HydrophobicContact CB-CG2 4.18Å; K456-I461 HydrophobicContact CD-CD1 3.98Å; K456-E486 IonicContact NZ-OE2 2.91Å; K456-Y491 PolarHBondContact NZ-OH 3.32Å
457	N	89.4	Confident	95.3	Very high	135 Å²	135	35.3 Å²	35.3	72%	0.722	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.4	45.7	-175.4	-55.6	-30.5	0	0	0	113	I459	N457-I459 PolarHBondContact O-N 2.93Å; N457-I459 VanDerWaalsContact O-N 3.16Å
458	S	88.8	Confident	95.4	Very high	87 Å²	87	32.8 Å²	32.8	61%	0.608	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.3	13.5	-178.7	-52.1	0	0	0	0	116.1	K456	K456-S458 VanDerWaalsContact C-N 3.28Å; K456-S458 PolarHBondContact O-N 2.98Å
459	I	93.3	Very high	95.5	Very high	100 Å²	100	27.9 Å²	27.9	51%	0.513	14%	0.143	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	133.4	176	-59.7	170.9	0	0	0	109.5	I455 K456 N457 I461	I455-I459 CarbonylContact C-O 3.6Å; I455-I459 VanDerWaalsContact CA-O 3.32Å; I455-I459 WeakPolarHBondContact CA-O 3.32Å; K456-I459 PolarHBondContact N-O 2.76Å; K456-I459 PolarHBondContact O-N 3.34Å; K456-I459 VanDerWaalsContact O-N 3.08Å; N457-I459 PolarHBondContact O-N 2.93Å; N457-I459 VanDerWaalsContact O-N 3.16Å; I459-I461 PolarHBondContact O-N 2.89Å
460	V	95.3	Very high	95.3	Very high	2 Å²	2	31.6 Å²	31.6	1%	0.012	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	116.6	171.2	177.3	0	0	0	0	109.1	W420 Q423 L424 V453 I455	W420-V460 HydrophobicContact CB-CG2 3.82Å; W420-V460 HydrophobicContact CG-CG2 4.05Å; Q423-V460 HydrophobicContact CB-CB 3.96Å; Q423-V460 HydrophobicContact CB-CG2 4.01Å; L424-V460 HydrophobicContact CB-CG1 4.32Å; L424-V460 HydrophobicContact CD1-CG1 4.34Å; V453-V460 HydrophobicContact CB-CG1 4.13Å; V453-V460 HydrophobicContact CB-CG2 4.42Å; V453-V460 HydrophobicContact CG1-CG1 4.15Å; I455-V460 HydrophobicContact CG1-CG2 3.93Å
461	I	94	Very high	95.1	Very high	15 Å²	15	35.7 Å²	35.7	8%	0.077	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	-14.5	179.8	61.4	163.7	0	0	0	113.3	L454 K456 I459 V483 E486 Y491	L454-I461 HydrophobicContact CD2-CD1 3.42Å; L454-I461 VanDerWaalsContact CD2-CD1 3.42Å; L454-I461 HydrophobicContact CD2-CG1 3.4Å; L454-I461 WeakPolarHBondContact O-CG1 3.38Å; L454-I461 PolarHBondContact O-N 2.82Å; K456-I461 HydrophobicContact CB-CD1 3.75Å; K456-I461 HydrophobicContact CB-CG1 4.17Å; K456-I461 HydrophobicContact CB-CG2 4.18Å; K456-I461 HydrophobicContact CD-CD1 3.98Å; I459-I461 PolarHBondContact O-N 2.89Å; I461-V483 WeakPolarHBondContact O-CG2 3.38Å; I461-V483 PolarHBondContact O-N 3.39Å; I461-E486 HydrophobicContact CB-CG 4.25Å; I461-E486 HydrophobicContact CD1-CB 4.35Å; I461-E486 HydrophobicContact CD1-CG 4.06Å; I461-E486 HydrophobicContact CG2-CG 4.39Å; I461-Y491 HydrophobicContact CD1-CD2 3.98Å; I461-Y491 HydrophobicContact CD1-CE2 3.97Å; I461-Y491 HydrophobicContact CD1-CG 4.27Å
462	A	95.5	Very high	94.9	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	156.4	174.1	0	0	0	0	0	111.3	V453 L454 A481 V482 L495	V453-A462 WeakPolarHBondContact CA-O 3.46Å; L454-A462 HydrophobicContact CB-CB 4.09Å; L454-A462 PolarHBondContact N-O 3.27Å; L454-A462 PolarHBondContact O-N 3.22Å; A462-A481 CarbonylContact C-O 3.52Å; A462-A481 VanDerWaalsContact CA-O 3.26Å; A462-A481 WeakPolarHBondContact CA-O 3.18Å; A462-V482 HydrophobicContact CB-CB 4.19Å; A462-V482 HydrophobicContact CB-CG1 4.2Å; A462-V482 HydrophobicContact CB-CG2 3.78Å; A462-L495 HydrophobicContact CB-CD2 3.94Å
463	G	97.1	Very high	94.7	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.4	156.8	169.7	0	0	0	0	0	114.3	I452 A481	I452-G463 CarbonylContact O-C 3.53Å; I452-G463 WeakPolarHBondContact O-CA 3.38Å; G463-A481 PolarHBondContact N-O 3.47Å; G463-A481 PolarHBondContact O-N 3.06Å
464	I	97.9	Very high	94.6	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	120.3	172.5	-58.7	170.5	0	0	0	108.3	N451 I452 I477 F479 C480 L495 M496 L499	N451-I464 CarbonylContact C-O 3.45Å; N451-I464 WeakPolarHBondContact CA-O 3.3Å; I452-I464 HydrophobicContact CG2-CB 3.74Å; I452-I464 HydrophobicContact CG2-CG1 4.41Å; I452-I464 PolarHBondContact N-O 3.35Å; I452-I464 PolarHBondContact O-N 3.38Å; I464-I477 HydrophobicContact CG2-CD1 4.3Å; I464-I477 HydrophobicContact CG2-CG1 4.12Å; I464-I477 HydrophobicContact CG2-CG2 3.79Å; I464-F479 CarbonylContact C-O 2.94Å; I464-F479 VanDerWaalsContact CA-O 3.26Å; I464-F479 WeakPolarHBondContact CA-O 3.45Å; I464-F479 WeakPolarHBondContact CG2-O 3.46Å; I464-C480 HydrophobicContact CG1-CB 4.1Å; I464-L495 HydrophobicContact CD1-CD2 4.11Å; I464-L495 HydrophobicContact CD1-CG 4.04Å; I464-L495 HydrophobicContact CG1-CD2 3.82Å; I464-L495 HydrophobicContact CG1-CG 4.25Å; I464-M496 HydrophobicContact CD1-CE 3.9Å; I464-M496 HydrophobicContact CD1-SD 4.48Å; I464-L499 HydrophobicContact CD1-CD2 4.02Å; I464-L499 HydrophobicContact CG2-CD2 3.94Å
465	C	97.8	Very high	94.6	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	128.7	170.1	178.5	0	0	0	0	109	L444 N451 V478 F479	L444-C465 HydrophobicContact CD2-CB 3.8Å; N451-C465 VanDerWaalsContact OD1-CB 3.27Å; N451-C465 WeakPolarHBondContact OD1-CB 3.1Å; N451-C465 PolarHBondContact OD1-SG 3Å; C465-V478 PolarHBondContact O-N 3.02Å; C465-F479 HydrophobicContact CB-CB 4Å; C465-F479 HydrophobicContact CB-CD2 3.84Å; C465-F479 HydrophobicContact CB-CG 4.36Å; C465-F479 PolarHBondContact N-O 3.03Å; C465-F479 PolarHBondContact O-N 2.85Å
466	F	97.7	Very high	94.7	Very high	1 Å²	1	38.9 Å²	38.9	0%	0.004	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	158	-178.6	65.4	-83.8	0	0	0	112.3	K450 I452 M468 E476 I477 L499 F502 H503	K450-F466 HydrophobicContact CB-CD2 4.49Å; K450-F466 HydrophobicContact CB-CE1 3.96Å; K450-F466 HydrophobicContact CB-CE2 3.89Å; K450-F466 HydrophobicContact CB-CZ 3.6Å; K450-F466 HydrophobicContact CD-CE2 4.41Å; K450-F466 HydrophobicContact CD-CZ 4.41Å; K450-F466 PolarHBondContact N-O 2.6Å; K450-F466 VanDerWaalsContact O-CD1 3.26Å; K450-F466 WeakPolarHBondContact O-CD1 3.3Å; K450-F466 PolarHBondContact O-N 3.48Å; I452-F466 HydrophobicContact CB-CE1 4.33Å; I452-F466 HydrophobicContact CG2-CE1 4.42Å; F466-M468 HydrophobicContact CD2-CG 3.77Å; F466-M468 HydrophobicContact CD2-SD 4.48Å; F466-M468 HydrophobicContact CE2-CG 3.69Å; F466-M468 HydrophobicContact CE2-SD 3.82Å; F466-E476 CarbonylContact C-O 3.38Å; F466-E476 WeakPolarHBondContact CA-O 3.48Å; F466-E476 VanDerWaalsContact CB-O 3.27Å; F466-E476 WeakPolarHBondContact CB-O 3.4Å; F466-I477 HydrophobicContact CB-CG1 4.43Å; F466-L499 HydrophobicContact CD1-CD1 3.45Å; F466-L499 VanDerWaalsContact CD1-CD1 3.45Å; F466-L499 HydrophobicContact CD2-CD1 4.46Å; F466-L499 HydrophobicContact CE1-CD1 3.47Å; F466-L499 VanDerWaalsContact CE1-CD1 3.47Å; F466-L499 HydrophobicContact CE2-CD1 4.47Å; F466-L499 HydrophobicContact CG-CD1 3.98Å; F466-L499 HydrophobicContact CZ-CD1 4.01Å; F466-F502 HydrophobicContact CE2-CD1 4.24Å; F466-F502 AromaticContact CE2-CE1 3.89Å; F466-F502 HydrophobicContact CE2-CE1 3.89Å; F466-F502 AromaticContact CZ-CD1 3.99Å; F466-F502 HydrophobicContact CZ-CD1 3.99Å; F466-F502 AromaticContact CZ-CE1 3.74Å; F466-F502 HydrophobicContact CZ-CE1 3.74Å; F466-H503 AromaticContact CD2-CE1 3.62Å; F466-H503 AromaticContact CD2-NE2 3.64Å; F466-H503 AromaticContact CE2-CE1 3.68Å; F466-H503 AromaticContact CE2-NE2 3.91Å
467	R	96.9	Very high	95	Very high	69 Å²	69	36.9 Å²	36.9	26%	0.26	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	122.4	175.1	-177.3	171.2	176.6	-168.1	-5.5	110.2	F469 S475 E476	R467-F469 HydrophobicContact CB-CE2 4.27Å; R467-F469 HydrophobicContact CG-CE1 4.46Å; R467-F469 HydrophobicContact CG-CE2 3.9Å; R467-F469 HydrophobicContact CG-CZ 3.87Å; R467-S475 CarbonylContact O-C 3.56Å; R467-S475 WeakPolarHBondContact O-CA 3.31Å; R467-S475 PolarHBondContact O-OG 3.21Å; R467-E476 PolarHBondContact N-O 3.25Å; R467-E476 PolarHBondContact O-N 2.72Å
468	M	95.7	Very high	95.3	Very high	34 Å²	34	31 Å²	31	17%	0.167	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	134.7	-179.5	-57.9	-178.2	72.5	0	0	111.2	F466 V470 F502 H506 V508	F466-M468 HydrophobicContact CD2-CG 3.77Å; F466-M468 HydrophobicContact CD2-SD 4.48Å; F466-M468 HydrophobicContact CE2-CG 3.69Å; F466-M468 HydrophobicContact CE2-SD 3.82Å; M468-V470 HydrophobicContact CB-CG2 4.3Å; M468-F502 HydrophobicContact SD-CD1 4.43Å; M468-F502 HydrophobicContact SD-CE1 3.74Å; M468-H506 HydrophobicContact CE-CB 3.58Å; M468-V508 HydrophobicContact CE-CB 4Å; M468-V508 HydrophobicContact CE-CG2 3.57Å
469	F	95.7	Very high	95.6	Very high	14 Å²	14	27 Å²	27	6%	0.061	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	75.9	173.5	-62.7	-84.4	0	0	0	107.8	R467 D471 Q472 G473 F474 E476 Y542	R467-F469 HydrophobicContact CB-CE2 4.27Å; R467-F469 HydrophobicContact CG-CE1 4.46Å; R467-F469 HydrophobicContact CG-CE2 3.9Å; R467-F469 HydrophobicContact CG-CZ 3.87Å; F469-D471 VanDerWaalsContact C-N 3.3Å; F469-D471 PolarHBondContact O-N 3.33Å; F469-Q472 HydrophobicContact CB-CB 4.14Å; F469-Q472 CarbonylContact O-C 3.46Å; F469-Q472 PolarHBondContact O-N 2.87Å; F469-G473 PolarHBondContact O-N 3.39Å; F469-F474 CarbonylContact C-O 3.52Å; F469-F474 WeakPolarHBondContact CA-O 3.24Å; F469-F474 HydrophobicContact CB-CD1 4.1Å; F469-F474 HydrophobicContact CB-CE1 3.77Å; F469-F474 HydrophobicContact CB-CE2 4.38Å; F469-F474 HydrophobicContact CB-CZ 3.92Å; F469-F474 WeakPolarHBondContact CB-O 3.38Å; F469-F474 HydrophobicContact CD1-CZ 4.47Å; F469-F474 HydrophobicContact CD2-CD2 4.08Å; F469-F474 HydrophobicContact CD2-CE1 4.1Å; F469-F474 AromaticContact CD2-CE2 3.33Å; F469-F474 HydrophobicContact CD2-CE2 3.33Å; F469-F474 AromaticContact CD2-CZ 3.34Å; F469-F474 HydrophobicContact CD2-CZ 3.34Å; F469-F474 AromaticContact CE2-CE2 3.81Å; F469-F474 HydrophobicContact CE2-CE2 3.81Å; F469-F474 AromaticContact CE2-CZ 3.88Å; F469-F474 HydrophobicContact CE2-CZ 3.88Å; F469-F474 HydrophobicContact CG-CE1 4.03Å; F469-F474 HydrophobicContact CG-CE2 4.1Å; F469-F474 AromaticContact CG-CZ 3.67Å; F469-F474 HydrophobicContact CG-CZ 3.67Å; F469-F474 PolarHBondContact N-O 3.39Å; F469-F474 PolarHBondContact O-N 3.12Å; F469-E476 HydrophobicContact CE2-CB 4.21Å; F469-Y542 AromaticContact CD1-CD1 3.66Å; F469-Y542 HydrophobicContact CD1-CD1 3.66Å; F469-Y542 HydrophobicContact CD1-CE1 4.42Å; F469-Y542 HydrophobicContact CD1-CG 4.37Å; F469-Y542 AromaticContact CE1-CD1 3.64Å; F469-Y542 HydrophobicContact CE1-CD1 3.64Å; F469-Y542 HydrophobicContact CE1-CG 4.29Å; F469-Y542 WeakPolarHBondContact CZ-O 3.49Å
470	V	92.9	Very high	95.7	Very high	84 Å²	84	23.8 Å²	23.8	51%	0.509	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-40.6	-169.7	-177.9	0	0	0	0	111.4	M468 Q472 G473 V508	M468-V470 HydrophobicContact CB-CG2 4.3Å; V470-Q472 PolarHBondContact O-N 3.41Å; V470-G473 PolarHBondContact O-N 3.18Å; V470-G473 VanDerWaalsContact O-N 3.11Å; V470-V508 HydrophobicContact CG2-CG2 4.27Å
471	D	92.3	Very high	95.7	Very high	155 Å²	155	24 Å²	24	83%	0.829	13%	0.13	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-36.7	179.6	-58.8	-37.6	0	0	0	112.4	F469 G473	F469-D471 VanDerWaalsContact C-N 3.3Å; F469-D471 PolarHBondContact O-N 3.33Å; D471-G473 VanDerWaalsContact C-N 3.29Å
472	Q	92.9	Very high	95.6	Very high	48 Å²	48	24.2 Å²	24.2	22%	0.224	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-10.3	175.9	-64.2	71.6	21.1	0	0	112.1	F469 V470 F474 R538 Y542	F469-Q472 HydrophobicContact CB-CB 4.14Å; F469-Q472 CarbonylContact O-C 3.46Å; F469-Q472 PolarHBondContact O-N 2.87Å; V470-Q472 PolarHBondContact O-N 3.41Å; Q472-F474 HydrophobicContact CB-CD1 3.57Å; Q472-F474 HydrophobicContact CB-CE1 3.56Å; Q472-F474 HydrophobicContact CG-CE1 4.18Å; Q472-R538 VanDerWaalsContact O-CZ 3.31Å; Q472-R538 PolarHBondContact O-NE 3.19Å; Q472-R538 PolarHBondContact O-NH2 3.4Å; Q472-Y542 HydrophobicContact CG-CE1 4.25Å; Q472-Y542 HydrophobicContact CG-CE2 4.23Å; Q472-Y542 PolarHBondContact NE2-OH 3.34Å; Q472-Y542 VanDerWaalsContact NE2-OH 3.14Å
473	G	92.8	Very high	95.2	Very high	17 Å²	17	25.7 Å²	25.7	18%	0.175	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.9	22.4	177.4	0	0	0	0	0	115.2	F469 V470 D471 R538	F469-G473 PolarHBondContact O-N 3.39Å; V470-G473 PolarHBondContact O-N 3.18Å; V470-G473 VanDerWaalsContact O-N 3.11Å; D471-G473 VanDerWaalsContact C-N 3.29Å; G473-R538 VanDerWaalsContact C-NH2 3.31Å; G473-R538 PolarHBondContact O-NH2 2.95Å; G473-R538 VanDerWaalsContact O-NH2 3.09Å
474	F	95.9	Very high	94.6	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	168.5	177.9	82.1	-88	0	0	0	112.7	F469 Q472 V508 D510 L512 R538 Y542 I543	F469-F474 CarbonylContact C-O 3.52Å; F469-F474 WeakPolarHBondContact CA-O 3.24Å; F469-F474 HydrophobicContact CB-CD1 4.1Å; F469-F474 HydrophobicContact CB-CE1 3.77Å; F469-F474 HydrophobicContact CB-CE2 4.38Å; F469-F474 HydrophobicContact CB-CZ 3.92Å; F469-F474 WeakPolarHBondContact CB-O 3.38Å; F469-F474 HydrophobicContact CD1-CZ 4.47Å; F469-F474 HydrophobicContact CD2-CD2 4.08Å; F469-F474 HydrophobicContact CD2-CE1 4.1Å; F469-F474 AromaticContact CD2-CE2 3.33Å; F469-F474 HydrophobicContact CD2-CE2 3.33Å; F469-F474 AromaticContact CD2-CZ 3.34Å; F469-F474 HydrophobicContact CD2-CZ 3.34Å; F469-F474 AromaticContact CE2-CE2 3.81Å; F469-F474 HydrophobicContact CE2-CE2 3.81Å; F469-F474 AromaticContact CE2-CZ 3.88Å; F469-F474 HydrophobicContact CE2-CZ 3.88Å; F469-F474 HydrophobicContact CG-CE1 4.03Å; F469-F474 HydrophobicContact CG-CE2 4.1Å; F469-F474 AromaticContact CG-CZ 3.67Å; F469-F474 HydrophobicContact CG-CZ 3.67Å; F469-F474 PolarHBondContact N-O 3.39Å; F469-F474 PolarHBondContact O-N 3.12Å; Q472-F474 HydrophobicContact CB-CD1 3.57Å; Q472-F474 HydrophobicContact CB-CE1 3.56Å; Q472-F474 HydrophobicContact CG-CE1 4.18Å; F474-V508 VanDerWaalsContact C-CG1 3.47Å; F474-D510 CarbonylContact C-O 3.46Å; F474-D510 WeakPolarHBondContact CA-O 3.36Å; F474-D510 HydrophobicContact CB-CB 3.86Å; F474-L512 HydrophobicContact CB-CD1 4.49Å; F474-L512 HydrophobicContact CD2-CD1 3.57Å; F474-L512 HydrophobicContact CD2-CG 4.09Å; F474-L512 HydrophobicContact CE2-CD1 3.99Å; F474-L512 HydrophobicContact CG-CD1 4.06Å; F474-R538 VanDerWaalsContact CE1-O 3.22Å; F474-R538 WeakPolarHBondContact CE1-O 3.39Å; F474-Y542 HydrophobicContact CZ-CG 4.41Å; F474-I543 HydrophobicContact CE2-CG2 3.48Å; F474-I543 VanDerWaalsContact CE2-CG2 3.48Å; F474-I543 HydrophobicContact CZ-CG2 3.92Å
475	S	97.3	Very high	93.8	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	144.3	173.4	-174.1	0	0	0	0	110.8	R467 H503 D510 I511 L512	R467-S475 CarbonylContact O-C 3.56Å; R467-S475 WeakPolarHBondContact O-CA 3.31Å; R467-S475 PolarHBondContact O-OG 3.21Å; S475-H503 WeakPolarHBondContact CB-CD2 3.23Å; S475-H503 WeakPolarHBondContact CB-NE2 3.41Å; S475-H503 PolarHBondContact OG-NE2 3.47Å; S475-D510 PolarHBondContact N-O 3.36Å; S475-I511 CarbonylContact O-C 3.45Å; S475-I511 WeakPolarHBondContact O-CA 3.29Å; S475-L512 PolarHBondContact O-N 3.03Å
476	E	97.3	Very high	93	Very high	10 Å²	10	35 Å²	35	5%	0.047	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	125.3	175.4	-179.4	-176.6	-147.7	0	0	109.7	F466 R467 F469 V478 L512 I543 K544	F466-E476 CarbonylContact C-O 3.38Å; F466-E476 WeakPolarHBondContact CA-O 3.48Å; F466-E476 VanDerWaalsContact CB-O 3.27Å; F466-E476 WeakPolarHBondContact CB-O 3.4Å; R467-E476 PolarHBondContact N-O 3.25Å; R467-E476 PolarHBondContact O-N 2.72Å; F469-E476 HydrophobicContact CE2-CB 4.21Å; E476-V478 HydrophobicContact CG-CG2 4.07Å; E476-L512 CarbonylContact C-O 3.58Å; E476-L512 WeakPolarHBondContact CA-O 3.28Å; E476-I543 HydrophobicContact CB-CG2 4.14Å; E476-I543 HydrophobicContact CG-CG2 4.2Å; E476-I543 WeakPolarHBondContact OE1-CA 3.27Å; E476-I543 WeakPolarHBondContact OE1-CB 3.33Å; E476-K544 PolarHBondContact OE1-N 3.39Å
477	I	97.5	Very high	91.9	Very high	3 Å²	3	39.4 Å²	39.4	2%	0.015	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	120.6	162.5	-68	175	0	0	0	107.7	I464 F466 C480 M496 L499 I511 L512 T513 F523 F528	I464-I477 HydrophobicContact CG2-CD1 4.3Å; I464-I477 HydrophobicContact CG2-CG1 4.12Å; I464-I477 HydrophobicContact CG2-CG2 3.79Å; F466-I477 HydrophobicContact CB-CG1 4.43Å; I477-C480 HydrophobicContact CG2-CB 4.32Å; I477-M496 HydrophobicContact CD1-CE 3.89Å; I477-M496 HydrophobicContact CD1-SD 4.22Å; I477-L499 HydrophobicContact CD1-CD2 3.63Å; I477-L499 HydrophobicContact CG1-CD2 4.09Å; I477-I511 HydrophobicContact CD1-CG2 3.63Å; I477-I511 HydrophobicContact CG1-CG2 3.7Å; I477-L512 PolarHBondContact N-O 3.18Å; I477-T513 PolarHBondContact O-OG1 3.49Å; I477-F523 HydrophobicContact CD1-CE1 4.25Å; I477-F523 HydrophobicContact CG2-CZ 4.39Å; I477-F528 HydrophobicContact CD1-CZ 3.91Å
478	V	96.1	Very high	90.8	Very high	12 Å²	12	41.3 Å²	41.3	7%	0.073	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	-45.2	-178.2	-171.2	0	0	0	0	110.9	I443 C465 E476 Y546	I443-V478 HydrophobicContact CG2-CB 4.34Å; I443-V478 HydrophobicContact CG2-CG1 3.87Å; C465-V478 PolarHBondContact O-N 3.02Å; E476-V478 HydrophobicContact CG-CG2 4.07Å; V478-Y546 VanDerWaalsContact CG1-OH 3.32Å; V478-Y546 WeakPolarHBondContact CG1-OH 3.3Å
479	F	96.2	Very high	89.9	Confident	3 Å²	3	43.6 Å²	43.6	1%	0.013	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	143.6	177	-53	-55.2	0	0	0	110.7	I428 L432 M435 Y439 V440 I443 L444 I464 C465	I428-F479 HydrophobicContact CD1-CB 3.81Å; I428-F479 HydrophobicContact CD1-CD2 4.16Å; I428-F479 HydrophobicContact CD1-CG 4.3Å; I428-F479 HydrophobicContact CG1-CB 4.35Å; I428-F479 HydrophobicContact CG2-CB 4.16Å; I428-F479 HydrophobicContact CG2-CD1 4.32Å; I428-F479 HydrophobicContact CG2-CD2 4.22Å; I428-F479 HydrophobicContact CG2-CG 4Å; L432-F479 HydrophobicContact CD1-CB 4.35Å; L432-F479 HydrophobicContact CD1-CD1 3.95Å; M435-F479 HydrophobicContact CG-CE1 4.2Å; M435-F479 HydrophobicContact SD-CE1 4.42Å; Y439-F479 HydrophobicContact CD1-CE1 4.34Å; Y439-F479 AromaticContact CD1-CZ 3.91Å; Y439-F479 HydrophobicContact CD1-CZ 3.91Å; Y439-F479 AromaticContact CE1-CE1 3.98Å; Y439-F479 HydrophobicContact CE1-CE1 3.98Å; Y439-F479 AromaticContact CE1-CZ 3.67Å; Y439-F479 HydrophobicContact CE1-CZ 3.67Å; V440-F479 HydrophobicContact CB-CZ 4.42Å; V440-F479 HydrophobicContact CG1-CE2 4.38Å; V440-F479 HydrophobicContact CG2-CE1 4.34Å; V440-F479 HydrophobicContact CG2-CE2 4.48Å; V440-F479 HydrophobicContact CG2-CZ 4Å; I443-F479 HydrophobicContact CB-CE2 3.76Å; I443-F479 HydrophobicContact CB-CZ 4.24Å; I443-F479 HydrophobicContact CG1-CE2 4.41Å; I443-F479 HydrophobicContact CG1-CZ 4.4Å; I443-F479 HydrophobicContact CG2-CD2 4.23Å; I443-F479 HydrophobicContact CG2-CE2 3.58Å; I443-F479 HydrophobicContact CG2-CZ 4.28Å; L444-F479 HydrophobicContact CD2-CD2 4.25Å; L444-F479 HydrophobicContact CG-CD2 4.42Å; L444-F479 HydrophobicContact CG-CE2 4.48Å; I464-F479 CarbonylContact C-O 2.94Å; I464-F479 VanDerWaalsContact CA-O 3.26Å; I464-F479 WeakPolarHBondContact CA-O 3.45Å; I464-F479 WeakPolarHBondContact CG2-O 3.46Å; C465-F479 HydrophobicContact CB-CB 4Å; C465-F479 HydrophobicContact CB-CD2 3.84Å; C465-F479 HydrophobicContact CB-CG 4.36Å; C465-F479 PolarHBondContact N-O 3.03Å; C465-F479 PolarHBondContact O-N 2.85Å
480	C	95.7	Very high	89.4	Confident	33 Å²	33	43.2 Å²	43.2	22%	0.223	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	116.9	173.4	174.3	0	0	0	0	108.4	I464 I477 F523	I464-C480 HydrophobicContact CG1-CB 4.1Å; I477-C480 HydrophobicContact CG2-CB 4.32Å; C480-F523 HydrophobicContact CB-CZ 4.18Å
481	A	94	Very high	89.3	Confident	7 Å²	7	39.3 Å²	39.3	6%	0.058	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	146.1	-175.8	0	0	0	0	0	112.4	V427 I428 Q431 A462 G463	V427-A481 HydrophobicContact CG1-CB 4.21Å; I428-A481 HydrophobicContact CG1-CB 4.04Å; Q431-A481 HydrophobicContact CB-CB 3.87Å; Q431-A481 HydrophobicContact CG-CB 4.14Å; A462-A481 CarbonylContact C-O 3.52Å; A462-A481 VanDerWaalsContact CA-O 3.26Å; A462-A481 WeakPolarHBondContact CA-O 3.18Å; G463-A481 PolarHBondContact N-O 3.47Å; G463-A481 PolarHBondContact O-N 3.06Å
482	V	91.7	Very high	89.3	Confident	18 Å²	18	32.5 Å²	32.5	11%	0.109	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	135.3	172.1	-178.2	0	0	0	0	107.3	Q431 A462 A484 E486 Q487	Q431-V482 PolarHBondContact OE1-O 2.88Å; A462-V482 HydrophobicContact CB-CB 4.19Å; A462-V482 HydrophobicContact CB-CG1 4.2Å; A462-V482 HydrophobicContact CB-CG2 3.78Å; V482-A484 PolarHBondContact O-N 3.47Å; V482-E486 HydrophobicContact CG1-CB 4.25Å; V482-Q487 HydrophobicContact CB-CG 4.01Å; V482-Q487 HydrophobicContact CG1-CG 4.06Å; V482-Q487 PolarHBondContact O-NE2 2.95Å
483	V	88.7	Confident	89.3	Confident	31 Å²	31	32.1 Å²	32.1	19%	0.188	19%	0.19	C	C	.	.			trans	-59.2	136.2	178.7	-175.4	0	0	0	0	110.3	V427 I461 N485 E486 Q487	V427-V483 HydrophobicContact CB-CG2 4.48Å; V427-V483 HydrophobicContact CG1-CG2 3.87Å; V427-V483 HydrophobicContact CG2-CG2 3.8Å; I461-V483 WeakPolarHBondContact O-CG2 3.38Å; I461-V483 PolarHBondContact O-N 3.39Å; V483-N485 VanDerWaalsContact C-N 3.29Å; V483-N485 WeakPolarHBondContact CG1-OD1 3.31Å; V483-N485 PolarHBondContact O-N 3.32Å; V483-N485 VanDerWaalsContact O-N 3.11Å; V483-E486 PolarHBondContact O-N 2.94Å; V483-Q487 PolarHBondContact O-N 2.83Å; V483-Q487 VanDerWaalsContact O-N 3.14Å
484	A	83.1	Confident	89.4	Confident	63 Å²	63	31.4 Å²	31.4	52%	0.521	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.5	-36.3	-169.5	0	0	0	0	0	115.5	V482 E486 Q487	V482-A484 PolarHBondContact O-N 3.47Å; A484-E486 VanDerWaalsContact C-N 3.31Å; A484-E486 PolarHBondContact O-N 2.78Å; A484-Q487 PolarHBondContact O-N 3Å
485	N	80.7	Confident	89.4	Confident	110 Å²	110	31.5 Å²	31.5	59%	0.588	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-16.6	178.5	64.1	-21.5	0	0	0	114.1	V483 K489	V483-N485 VanDerWaalsContact C-N 3.29Å; V483-N485 WeakPolarHBondContact CG1-OD1 3.31Å; V483-N485 PolarHBondContact O-N 3.32Å; V483-N485 VanDerWaalsContact O-N 3.11Å; N485-K489 VanDerWaalsContact O-CE 3.29Å; N485-K489 WeakPolarHBondContact O-CE 3.46Å; N485-K489 PolarHBondContact O-NZ 2.91Å
486	E	81.3	Confident	89.3	Confident	24 Å²	24	31.5 Å²	31.5	11%	0.112	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.3	-5.9	177.4	-59.5	-56.2	139.1	0	0	112.3	K456 I461 V482 V483 A484 K489 Y491	K456-E486 IonicContact NZ-OE2 2.91Å; I461-E486 HydrophobicContact CB-CG 4.25Å; I461-E486 HydrophobicContact CD1-CB 4.35Å; I461-E486 HydrophobicContact CD1-CG 4.06Å; I461-E486 HydrophobicContact CG2-CG 4.39Å; V482-E486 HydrophobicContact CG1-CB 4.25Å; V483-E486 PolarHBondContact O-N 2.94Å; A484-E486 VanDerWaalsContact C-N 3.31Å; A484-E486 PolarHBondContact O-N 2.78Å; E486-K489 IonicContact OE1-NZ 3.13Å; E486-K489 PolarHBondContact OE1-NZ 3.41Å; E486-K489 VanDerWaalsContact OE2-CD 3.23Å; E486-K489 WeakPolarHBondContact OE2-CD 3.38Å; E486-K489 WeakPolarHBondContact OE2-CE 3.24Å; E486-K489 IonicContact OE2-NZ 3.5Å; E486-K489 PolarHBondContact OE2-NZ 3.48Å; E486-Y491 HydrophobicContact CB-CD2 3.97Å; E486-Y491 HydrophobicContact CB-CE2 4.12Å; E486-Y491 VanDerWaalsContact OE2-CE2 3.26Å; E486-Y491 WeakPolarHBondContact OE2-CE2 3.3Å
487	Q	75.2	Confident	89.2	Confident	93 Å²	93	31.2 Å²	31.2	44%	0.435	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	153.2	172.1	-69.9	179.9	13.3	0	0	110.9	V482 V483 A484 K489	V482-Q487 HydrophobicContact CB-CG 4.01Å; V482-Q487 HydrophobicContact CG1-CG 4.06Å; V482-Q487 PolarHBondContact O-NE2 2.95Å; V483-Q487 PolarHBondContact O-N 2.83Å; V483-Q487 VanDerWaalsContact O-N 3.14Å; A484-Q487 PolarHBondContact O-N 3Å; Q487-K489 PolarHBondContact O-N 3.41Å; Q487-K489 VanDerWaalsContact O-N 3.08Å
488	V	73.4	Confident	89.2	Confident	108 Å²	108	32.7 Å²	32.7	66%	0.655	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.8	-13	-178.8	-163.6	0	0	0	0	115.3	G490	V488-G490 VanDerWaalsContact C-N 3.26Å; V488-G490 PolarHBondContact O-N 3.32Å
489	K	77.4	Confident	89.3	Confident	82 Å²	82	32.1 Å²	32.1	36%	0.357	19%	0.185	S	C	.	.	S	Bend	trans	-76.7	-4	176.2	-61.8	-178.9	-170.7	172.4	0	115.3	N485 E486 Q487 Y491	N485-K489 VanDerWaalsContact O-CE 3.29Å; N485-K489 WeakPolarHBondContact O-CE 3.46Å; N485-K489 PolarHBondContact O-NZ 2.91Å; E486-K489 IonicContact OE1-NZ 3.13Å; E486-K489 PolarHBondContact OE1-NZ 3.41Å; E486-K489 VanDerWaalsContact OE2-CD 3.23Å; E486-K489 WeakPolarHBondContact OE2-CD 3.38Å; E486-K489 WeakPolarHBondContact OE2-CE 3.24Å; E486-K489 IonicContact OE2-NZ 3.5Å; E486-K489 PolarHBondContact OE2-NZ 3.48Å; Q487-K489 PolarHBondContact O-N 3.41Å; Q487-K489 VanDerWaalsContact O-N 3.08Å; K489-Y491 HydrophobicContact CB-CD2 3.94Å; K489-Y491 HydrophobicContact CB-CE2 3.73Å; K489-Y491 HydrophobicContact CD-CE2 3.88Å; K489-Y491 HydrophobicContact CG-CE2 4.46Å
490	G	85.1	Confident	89.3	Confident	6 Å²	6	32.3 Å²	32.3	6%	0.062	19%	0.186	C	C	.	.	S	Bend	trans	100.5	-11.3	176.7	0	0	0	0	0	115.6	V488 G492 T493 H494	V488-G490 VanDerWaalsContact C-N 3.26Å; V488-G490 PolarHBondContact O-N 3.32Å; G490-G492 VanDerWaalsContact C-N 3.29Å; G490-G492 PolarHBondContact O-N 2.77Å; G490-T493 PolarHBondContact O-N 2.58Å; G490-T493 VanDerWaalsContact O-N 3.09Å; G490-H494 PolarHBondContact O-N 3.27Å
491	Y	91.8	Very high	89.4	Confident	3 Å²	3	31.6 Å²	31.6	1%	0.012	18%	0.18	C	C	.	.	H	α-helix	trans	-55.8	-37.5	-178.8	-61.5	-55.6	0	0	0	114.4	A391 E394 I400 L454 K456 I461 E486 K489 H494 L495	A391-Y491 HydrophobicContact CB-CD1 3.9Å; A391-Y491 HydrophobicContact CB-CE1 4.15Å; E394-Y491 VanDerWaalsContact CD-OH 3.31Å; E394-Y491 PolarHBondContact OE1-OH 3.16Å; E394-Y491 WeakPolarHBondContact OE2-CE1 3.39Å; E394-Y491 PolarHBondContact OE2-OH 2.74Å; I400-Y491 HydrophobicContact CD1-CD1 4.09Å; I400-Y491 HydrophobicContact CD1-CE1 3.87Å; I400-Y491 HydrophobicContact CG2-CE1 4.15Å; L454-Y491 HydrophobicContact CD1-CD1 3.94Å; L454-Y491 HydrophobicContact CD1-CG 4.36Å; L454-Y491 HydrophobicContact CD2-CD1 4.02Å; L454-Y491 HydrophobicContact CD2-CG 4.4Å; K456-Y491 PolarHBondContact NZ-OH 3.32Å; I461-Y491 HydrophobicContact CD1-CD2 3.98Å; I461-Y491 HydrophobicContact CD1-CE2 3.97Å; I461-Y491 HydrophobicContact CD1-CG 4.27Å; E486-Y491 HydrophobicContact CB-CD2 3.97Å; E486-Y491 HydrophobicContact CB-CE2 4.12Å; E486-Y491 VanDerWaalsContact OE2-CE2 3.26Å; E486-Y491 WeakPolarHBondContact OE2-CE2 3.3Å; K489-Y491 HydrophobicContact CB-CD2 3.94Å; K489-Y491 HydrophobicContact CB-CE2 3.73Å; K489-Y491 HydrophobicContact CD-CE2 3.88Å; K489-Y491 HydrophobicContact CG-CE2 4.46Å; Y491-H494 PolarHBondContact O-N 3.48Å; Y491-L495 VanDerWaalsContact O-CB 3.27Å; Y491-L495 WeakPolarHBondContact O-CB 3.44Å; Y491-L495 PolarHBondContact O-N 2.98Å
492	G	92.4	Very high	89.5	Confident	11 Å²	11	32.4 Å²	32.4	11%	0.113	18%	0.182	C	C	.	.	H	α-helix	trans	-61.6	-47.5	176	0	0	0	0	0	112.5	G490 H494 L495 M496 Y522	G490-G492 VanDerWaalsContact C-N 3.29Å; G490-G492 PolarHBondContact O-N 2.77Å; G492-H494 VanDerWaalsContact C-N 3.34Å; G492-H494 PolarHBondContact O-N 3.01Å; G492-L495 PolarHBondContact O-N 3.37Å; G492-M496 WeakPolarHBondContact O-CB 3.4Å; G492-M496 PolarHBondContact O-N 3.46Å; G492-Y522 PolarHBondContact O-OH 3.35Å
493	T	92.8	Very high	89.8	Confident	40 Å²	40	31.5 Å²	31.5	25%	0.245	18%	0.177	C	C	.	.	H	α-helix	trans	-62	-43.2	174.8	-57.9	0	0	0	0	111.1	D388 G490 M496 N497 Q526	D388-T493 HydrophobicContact CB-CG2 4.09Å; G490-T493 PolarHBondContact O-N 2.58Å; G490-T493 VanDerWaalsContact O-N 3.09Å; T493-M496 PolarHBondContact O-N 3Å; T493-N497 WeakPolarHBondContact O-CB 3.38Å; T493-N497 VanDerWaalsContact O-CG 3.24Å; T493-N497 PolarHBondContact O-N 3.48Å; T493-N497 PolarHBondContact O-ND2 3.46Å; T493-Q526 PolarHBondContact OG1-NE2 3.41Å
494	H	94	Very high	90.1	Very high	2 Å²	2	31.3 Å²	31.3	1%	0.009	18%	0.175	C	C	.	.	H	α-helix	trans	-59.5	-47.9	177.9	-166.4	59.3	0	0	0	112.1	A391 E395 G490 Y491 G492 M496 N497 H498	A391-H494 HydrophobicContact CB-CB 3.65Å; E395-H494 IonicContact OE2-CD2 2.72Å; E395-H494 IonicContact OE2-CE1 3.67Å; E395-H494 PolarHBondContact OE2-CE1 3.49Å; E395-H494 IonicContact OE2-NE2 2.72Å; E395-H494 PolarHBondContact OE2-NE2 3.48Å; G490-H494 PolarHBondContact O-N 3.27Å; Y491-H494 PolarHBondContact O-N 3.48Å; G492-H494 VanDerWaalsContact C-N 3.34Å; G492-H494 PolarHBondContact O-N 3.01Å; H494-M496 PolarHBondContact O-N 3.48Å; H494-N497 PolarHBondContact O-N 3.3Å; H494-H498 AromaticContact CD2-CD2 3.82Å; H494-H498 AromaticContact CD2-NE2 4Å; H494-H498 AromaticContact CE1-CD2 3.84Å; H494-H498 AromaticContact CE1-NE2 3.59Å; H494-H498 AromaticContact NE2-CD2 3.56Å; H494-H498 AromaticContact NE2-NE2 3.28Å; H494-H498 PolarHBondContact NE2-NE2 3.17Å; H494-H498 PolarHBondContact O-CD2 3.45Å; H494-H498 PolarHBondContact O-N 2.9Å
495	L	95.1	Very high	90.7	Very high	2 Å²	2	36.9 Å²	36.9	1%	0.01	18%	0.182	C	C	.	.	H	α-helix	trans	-63.6	-40.9	177.8	-172	64.2	0	0	0	112.2	V402 I452 L454 A462 I464 Y491 G492 H498 L499	V402-L495 HydrophobicContact CG1-CD1 3.94Å; I452-L495 HydrophobicContact CB-CD1 4.23Å; I452-L495 HydrophobicContact CD1-CD1 4.04Å; I452-L495 HydrophobicContact CG1-CD1 3.69Å; I452-L495 HydrophobicContact CG2-CD1 3.83Å; I452-L495 HydrophobicContact CG2-CG 4.04Å; L454-L495 HydrophobicContact CB-CD1 4.26Å; A462-L495 HydrophobicContact CB-CD2 3.94Å; I464-L495 HydrophobicContact CD1-CD2 4.11Å; I464-L495 HydrophobicContact CD1-CG 4.04Å; I464-L495 HydrophobicContact CG1-CD2 3.82Å; I464-L495 HydrophobicContact CG1-CG 4.25Å; Y491-L495 VanDerWaalsContact O-CB 3.27Å; Y491-L495 WeakPolarHBondContact O-CB 3.44Å; Y491-L495 PolarHBondContact O-N 2.98Å; G492-L495 PolarHBondContact O-N 3.37Å; L495-H498 PolarHBondContact O-N 3.46Å; L495-L499 WeakPolarHBondContact O-CB 3.48Å; L495-L499 PolarHBondContact O-N 2.7Å
496	M	96.1	Very high	91.3	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-64.9	-38.2	175.1	-177.1	63.4	68.2	0	0	112	I464 I477 G492 T493 H494 L499 K500 Y522 F523 Q526 F528	I464-M496 HydrophobicContact CD1-CE 3.9Å; I464-M496 HydrophobicContact CD1-SD 4.48Å; I477-M496 HydrophobicContact CD1-CE 3.89Å; I477-M496 HydrophobicContact CD1-SD 4.22Å; G492-M496 WeakPolarHBondContact O-CB 3.4Å; G492-M496 PolarHBondContact O-N 3.46Å; T493-M496 PolarHBondContact O-N 3Å; H494-M496 PolarHBondContact O-N 3.48Å; M496-L499 WeakPolarHBondContact O-CB 3.24Å; M496-L499 PolarHBondContact O-N 2.75Å; M496-L499 HydrophobicContact SD-CD2 3.82Å; M496-K500 VanDerWaalsContact O-CG 3.28Å; M496-K500 WeakPolarHBondContact O-CG 3.49Å; M496-K500 PolarHBondContact O-N 3.18Å; M496-Y522 HydrophobicContact CE-CE1 4.02Å; M496-F523 HydrophobicContact CE-CD1 4.38Å; M496-F523 HydrophobicContact CE-CE1 3.99Å; M496-Q526 HydrophobicContact CB-CG 4.41Å; M496-Q526 HydrophobicContact CE-CG 4.47Å; M496-Q526 HydrophobicContact CG-CB 3.96Å; M496-Q526 HydrophobicContact CG-CG 3.9Å; M496-F528 HydrophobicContact CE-CE2 4.25Å; M496-F528 HydrophobicContact SD-CE2 4.14Å
497	N	95.6	Very high	92	Very high	5 Å²	5	36.1 Å²	36.1	3%	0.027	19%	0.185	C	C	.	.	H	α-helix	trans	-65	-44.2	176.4	-73.8	-15.7	0	0	0	111.4	T493 H494 L499 K500 D501 Y562 T563	T493-N497 WeakPolarHBondContact O-CB 3.38Å; T493-N497 VanDerWaalsContact O-CG 3.24Å; T493-N497 PolarHBondContact O-N 3.48Å; T493-N497 PolarHBondContact O-ND2 3.46Å; H494-N497 PolarHBondContact O-N 3.3Å; N497-L499 VanDerWaalsContact C-N 3.32Å; N497-L499 PolarHBondContact O-N 2.82Å; N497-K500 PolarHBondContact O-N 3.31Å; N497-D501 PolarHBondContact O-N 3.27Å; N497-Y562 VanDerWaalsContact CG-O 3.27Å; N497-Y562 PolarHBondContact ND2-O 3.29Å; N497-T563 HydrophobicContact CB-CG2 4.27Å
498	H	96.7	Very high	92.9	Very high	34 Å²	34	31.7 Å²	31.7	16%	0.157	16%	0.164	C	C	.	.	H	α-helix	trans	-59.6	-41	171.3	-86	-77.1	0	0	0	112.4	E395 V402 I452 H494 L495 D501 F502	E395-H498 IonicContact OE1-CE1 3.71Å; E395-H498 PolarHBondContact OE1-CE1 3.48Å; E395-H498 IonicContact OE1-NE2 3.59Å; E395-H498 PolarHBondContact OE1-NE2 3.34Å; E395-H498 IonicContact OE2-CE1 3.39Å; E395-H498 IonicContact OE2-NE2 2.73Å; E395-H498 PolarHBondContact OE2-NE2 2.95Å; V402-H498 HydrophobicContact CG1-CB 4.07Å; I452-H498 HydrophobicContact CD1-CB 3.74Å; H494-H498 AromaticContact CD2-CD2 3.82Å; H494-H498 AromaticContact CD2-NE2 4Å; H494-H498 AromaticContact CE1-CD2 3.84Å; H494-H498 AromaticContact CE1-NE2 3.59Å; H494-H498 AromaticContact NE2-CD2 3.56Å; H494-H498 AromaticContact NE2-NE2 3.28Å; H494-H498 PolarHBondContact NE2-NE2 3.17Å; H494-H498 PolarHBondContact O-CD2 3.45Å; H494-H498 PolarHBondContact O-N 2.9Å; L495-H498 PolarHBondContact O-N 3.46Å; H498-D501 PolarHBondContact O-N 3.32Å; H498-F502 WeakPolarHBondContact O-CB 3.26Å; H498-F502 PolarHBondContact O-N 3.34Å
499	L	97.7	Very high	94	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-59.8	-46.7	174.8	-175.5	75.5	0	0	0	111.5	I452 I464 F466 I477 L495 M496 N497 F502 H503	I452-L499 HydrophobicContact CG2-CB 4.44Å; I452-L499 HydrophobicContact CG2-CD1 3.83Å; I464-L499 HydrophobicContact CD1-CD2 4.02Å; I464-L499 HydrophobicContact CG2-CD2 3.94Å; F466-L499 HydrophobicContact CD1-CD1 3.45Å; F466-L499 VanDerWaalsContact CD1-CD1 3.45Å; F466-L499 HydrophobicContact CD2-CD1 4.46Å; F466-L499 HydrophobicContact CE1-CD1 3.47Å; F466-L499 VanDerWaalsContact CE1-CD1 3.47Å; F466-L499 HydrophobicContact CE2-CD1 4.47Å; F466-L499 HydrophobicContact CG-CD1 3.98Å; F466-L499 HydrophobicContact CZ-CD1 4.01Å; I477-L499 HydrophobicContact CD1-CD2 3.63Å; I477-L499 HydrophobicContact CG1-CD2 4.09Å; L495-L499 WeakPolarHBondContact O-CB 3.48Å; L495-L499 PolarHBondContact O-N 2.7Å; M496-L499 WeakPolarHBondContact O-CB 3.24Å; M496-L499 PolarHBondContact O-N 2.75Å; M496-L499 HydrophobicContact SD-CD2 3.82Å; N497-L499 VanDerWaalsContact C-N 3.32Å; N497-L499 PolarHBondContact O-N 2.82Å; L499-F502 WeakPolarHBondContact O-CB 3.22Å; L499-F502 PolarHBondContact O-N 3.44Å; L499-H503 VanDerWaalsContact CD1-CE1 3.46Å; L499-H503 WeakPolarHBondContact CD1-CE1 3.15Å; L499-H503 PolarHBondContact O-N 2.92Å; L499-H503 PolarHBondContact O-ND1 3.3Å
500	K	97.6	Very high	94.9	Very high	7 Å²	7	27.6 Å²	27.6	3%	0.03	14%	0.136	C	C	.	.	H	α-helix	trans	-63.1	-46.3	179.1	-69.2	173.8	179.5	167.3	0	111.8	M496 N497 F502 H503 I504 I511 Q526 L556 Y562	M496-K500 VanDerWaalsContact O-CG 3.28Å; M496-K500 WeakPolarHBondContact O-CG 3.49Å; M496-K500 PolarHBondContact O-N 3.18Å; N497-K500 PolarHBondContact O-N 3.31Å; K500-F502 PolarHBondContact O-N 3.19Å; K500-H503 PolarHBondContact O-N 2.77Å; K500-H503 VanDerWaalsContact O-N 3.08Å; K500-I504 WeakPolarHBondContact O-CG1 3.4Å; K500-I504 PolarHBondContact O-N 3.32Å; K500-I511 HydrophobicContact CG-CD1 4.44Å; K500-Q526 WeakPolarHBondContact CE-O 3.31Å; K500-Q526 PolarHBondContact NZ-O 2.91Å; K500-L556 HydrophobicContact CB-CD1 4.25Å; K500-L556 HydrophobicContact CB-CD2 4.08Å; K500-L556 HydrophobicContact CD-CD2 3.9Å; K500-L556 HydrophobicContact CG-CD1 4.43Å; K500-L556 HydrophobicContact CG-CD2 3.63Å; K500-Y562 HydrophobicContact CB-CD1 4.35Å; K500-Y562 HydrophobicContact CB-CD2 3.78Å; K500-Y562 HydrophobicContact CB-CE2 4.32Å; K500-Y562 HydrophobicContact CB-CG 3.79Å; K500-Y562 HydrophobicContact CD-CD1 3.33Å; K500-Y562 HydrophobicContact CD-CD2 4.2Å; K500-Y562 HydrophobicContact CD-CE1 3.6Å; K500-Y562 HydrophobicContact CD-CE2 4.45Å; K500-Y562 HydrophobicContact CD-CG 3.64Å; K500-Y562 HydrophobicContact CG-CD1 4.49Å; K500-Y562 HydrophobicContact CG-CG 4.4Å
501	D	96.7	Very high	95.5	Very high	17 Å²	17	27.3 Å²	27.3	9%	0.091	13%	0.134	C	C	.	.	H	α-helix	trans	-63.6	-31.4	176.6	-72.3	-11.7	0	0	0	111.8	N497 H498 R505 Y562 T563	N497-D501 PolarHBondContact O-N 3.27Å; H498-D501 PolarHBondContact O-N 3.32Å; D501-R505 WeakPolarHBondContact O-CG 3.3Å; D501-R505 PolarHBondContact O-N 3.33Å; D501-R505 PolarHBondContact O-NE 2.96Å; D501-R505 VanDerWaalsContact O-NE 3.08Å; D501-Y562 WeakPolarHBondContact OD1-CB 3.28Å; D501-Y562 PolarHBondContact OD1-N 3.14Å; D501-Y562 PolarHBondContact OD2-N 2.86Å; D501-T563 WeakPolarHBondContact OD2-CB 3.4Å; D501-T563 WeakPolarHBondContact OD2-CG2 3.06Å; D501-T563 PolarHBondContact OD2-N 3.43Å; D501-T563 PolarHBondContact OD2-OG1 2.99Å
502	F	96.9	Very high	95.8	Very high	24 Å²	24	27.2 Å²	27.2	11%	0.105	13%	0.133	C	C	.	.	H	α-helix	trans	-66	-44.8	170.6	-179.2	-90.6	0	0	0	112	V404 K450 F466 M468 H498 L499 K500 R505 H506	V404-F502 HydrophobicContact CB-CE2 4.4Å; V404-F502 HydrophobicContact CG1-CE2 4.26Å; V404-F502 HydrophobicContact CG1-CZ 4.21Å; V404-F502 HydrophobicContact CG2-CD2 3.94Å; V404-F502 HydrophobicContact CG2-CE2 3.93Å; K450-F502 HydrophobicContact CD-CZ 4.41Å; F466-F502 HydrophobicContact CE2-CD1 4.24Å; F466-F502 AromaticContact CE2-CE1 3.89Å; F466-F502 HydrophobicContact CE2-CE1 3.89Å; F466-F502 AromaticContact CZ-CD1 3.99Å; F466-F502 HydrophobicContact CZ-CD1 3.99Å; F466-F502 AromaticContact CZ-CE1 3.74Å; F466-F502 HydrophobicContact CZ-CE1 3.74Å; M468-F502 HydrophobicContact SD-CD1 4.43Å; M468-F502 HydrophobicContact SD-CE1 3.74Å; H498-F502 WeakPolarHBondContact O-CB 3.26Å; H498-F502 PolarHBondContact O-N 3.34Å; L499-F502 WeakPolarHBondContact O-CB 3.22Å; L499-F502 PolarHBondContact O-N 3.44Å; K500-F502 PolarHBondContact O-N 3.19Å; F502-R505 PolarHBondContact O-N 3.47Å; F502-H506 AromaticContact CD1-ND1 3.94Å; F502-H506 AromaticContact CD2-CE1 3.79Å; F502-H506 AromaticContact CE1-CE1 3.66Å; F502-H506 AromaticContact CE1-ND1 3.77Å; F502-H506 AromaticContact CE2-CE1 3.3Å; F502-H506 WeakPolarHBondContact CE2-CE1 3.23Å; F502-H506 AromaticContact CZ-CE1 3.22Å; F502-H506 WeakPolarHBondContact CZ-CE1 3.4Å; F502-H506 AromaticContact CZ-ND1 3.83Å; F502-H506 AromaticContact CZ-NE2 3.73Å; F502-H506 PolarHBondContact O-N 2.82Å; F502-H506 PolarHBondContact O-ND1 3.02Å
503	H	97.4	Very high	96	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-66.3	-42	-180	-76.9	74.4	0	0	0	112.8	F466 S475 L499 K500 R505 H506 G507 V508 L556	F466-H503 AromaticContact CD2-CE1 3.62Å; F466-H503 AromaticContact CD2-NE2 3.64Å; F466-H503 AromaticContact CE2-CE1 3.68Å; F466-H503 AromaticContact CE2-NE2 3.91Å; S475-H503 WeakPolarHBondContact CB-CD2 3.23Å; S475-H503 WeakPolarHBondContact CB-NE2 3.41Å; S475-H503 PolarHBondContact OG-NE2 3.47Å; L499-H503 VanDerWaalsContact CD1-CE1 3.46Å; L499-H503 WeakPolarHBondContact CD1-CE1 3.15Å; L499-H503 PolarHBondContact O-N 2.92Å; L499-H503 PolarHBondContact O-ND1 3.3Å; K500-H503 PolarHBondContact O-N 2.77Å; K500-H503 VanDerWaalsContact O-N 3.08Å; H503-R505 VanDerWaalsContact C-N 3.3Å; H503-R505 PolarHBondContact O-N 3.11Å; H503-H506 CarbonylContact O-C 3.58Å; H503-H506 WeakPolarHBondContact O-CA 2.83Å; H503-H506 PolarHBondContact O-N 3.32Å; H503-G507 PolarHBondContact O-N 3.46Å; H503-V508 CarbonylContact C-O 3.45Å; H503-V508 HydrophobicContact CB-CB 4.46Å; H503-V508 PolarHBondContact O-N 2.99Å; H503-L556 HydrophobicContact CB-CD1 3.78Å
504	I	95.7	Very high	96.1	Very high	27 Å²	27	27.2 Å²	27.2	14%	0.138	13%	0.126	C	C	.	.	H	α-helix	trans	-59	-43.7	176.3	-67.3	164.2	0	0	0	110.6	K500 H506 G507 Y509 L556 Y562	K500-I504 WeakPolarHBondContact O-CG1 3.4Å; K500-I504 PolarHBondContact O-N 3.32Å; I504-H506 PolarHBondContact O-N 3.01Å; I504-G507 PolarHBondContact O-N 2.94Å; I504-Y509 HydrophobicContact CG2-CE1 4.43Å; I504-L556 HydrophobicContact CD1-CB 4.41Å; I504-L556 HydrophobicContact CG1-CB 4.17Å; I504-L556 HydrophobicContact CG1-CD1 4.02Å; I504-Y562 HydrophobicContact CD1-CD2 3.69Å; I504-Y562 HydrophobicContact CD1-CE2 3.54Å
505	R	94.5	Very high	96.1	Very high	179 Å²	179	27.1 Å²	27.1	68%	0.675	13%	0.126	S	C	*	.	H	α-helix	trans	-60.4	-24.1	175.8	-78.6	-177.1	-78.6	170.5	-8.5	113.8	D501 F502 H503	D501-R505 WeakPolarHBondContact O-CG 3.3Å; D501-R505 PolarHBondContact O-N 3.33Å; D501-R505 PolarHBondContact O-NE 2.96Å; D501-R505 VanDerWaalsContact O-NE 3.08Å; F502-R505 PolarHBondContact O-N 3.47Å; H503-R505 VanDerWaalsContact C-N 3.3Å; H503-R505 PolarHBondContact O-N 3.11Å
506	H	94.6	Very high	95.9	Very high	82 Å²	82	29.7 Å²	29.7	38%	0.38	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.3	9.8	178.3	-68.5	80.9	0	0	0	113.2	M468 F502 H503 I504 V508	M468-H506 HydrophobicContact CE-CB 3.58Å; F502-H506 AromaticContact CD1-ND1 3.94Å; F502-H506 AromaticContact CD2-CE1 3.79Å; F502-H506 AromaticContact CE1-CE1 3.66Å; F502-H506 AromaticContact CE1-ND1 3.77Å; F502-H506 AromaticContact CE2-CE1 3.3Å; F502-H506 WeakPolarHBondContact CE2-CE1 3.23Å; F502-H506 AromaticContact CZ-CE1 3.22Å; F502-H506 WeakPolarHBondContact CZ-CE1 3.4Å; F502-H506 AromaticContact CZ-ND1 3.83Å; F502-H506 AromaticContact CZ-NE2 3.73Å; F502-H506 PolarHBondContact O-N 2.82Å; F502-H506 PolarHBondContact O-ND1 3.02Å; H503-H506 CarbonylContact O-C 3.58Å; H503-H506 WeakPolarHBondContact O-CA 2.83Å; H503-H506 PolarHBondContact O-N 3.32Å; I504-H506 PolarHBondContact O-N 3.01Å; H506-V508 VanDerWaalsContact C-N 3.29Å; H506-V508 PolarHBondContact O-N 2.72Å
507	G	94.3	Very high	95.5	Very high	37 Å²	37	37.1 Å²	37.1	38%	0.381	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.1	18.5	177.8	0	0	0	0	0	115	H503 I504 Y509	H503-G507 PolarHBondContact O-N 3.46Å; I504-G507 PolarHBondContact O-N 2.94Å; G507-Y509 WeakPolarHBondContact O-CE2 3.44Å
508	V	95.3	Very high	95.1	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	21%	0.213	C	C	.	.			trans	-103.5	122.3	176.4	178	0	0	0	0	109.4	M468 V470 F474 H503 H506	M468-V508 HydrophobicContact CE-CB 4Å; M468-V508 HydrophobicContact CE-CG2 3.57Å; V470-V508 HydrophobicContact CG2-CG2 4.27Å; F474-V508 VanDerWaalsContact C-CG1 3.47Å; H503-V508 CarbonylContact C-O 3.45Å; H503-V508 HydrophobicContact CB-CB 4.46Å; H503-V508 PolarHBondContact O-N 2.99Å; H506-V508 VanDerWaalsContact C-N 3.29Å; H506-V508 PolarHBondContact O-N 2.72Å
509	Y	95.8	Very high	94.8	Very high	90 Å²	90	44 Å²	44	35%	0.353	22%	0.215	S	C	.	.			trans	-116.4	-7.3	-173.1	-54.5	-72.1	0	0	0	114.2	I504 G507 L556 P558	I504-Y509 HydrophobicContact CG2-CE1 4.43Å; G507-Y509 WeakPolarHBondContact O-CE2 3.44Å; Y509-L556 PolarHBondContact O-N 2.89Å; Y509-P558 HydrophobicContact CD1-CG 3.95Å; Y509-P558 HydrophobicContact CE1-CB 3.81Å; Y509-P558 HydrophobicContact CE1-CG 3.59Å
510	D	96.9	Very high	94.6	Very high	14 Å²	14	44.7 Å²	44.7	8%	0.075	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	123.9	178.5	-63.5	-48.3	0	0	0	109.4	F474 S475 H533 V534 R538	F474-D510 CarbonylContact C-O 3.46Å; F474-D510 WeakPolarHBondContact CA-O 3.36Å; F474-D510 HydrophobicContact CB-CB 3.86Å; S475-D510 PolarHBondContact N-O 3.36Å; D510-H533 IonicContact OD1-CD2 3.95Å; D510-H533 IonicContact OD1-CE1 2.6Å; D510-H533 IonicContact OD1-NE2 3.04Å; D510-H533 PolarHBondContact OD1-NE2 2.8Å; D510-V534 HydrophobicContact CB-CG2 3.83Å; D510-R538 IonicContact OD2-CZ 3.35Å; D510-R538 IonicContact OD2-NH1 2.79Å; D510-R538 PolarHBondContact OD2-NH1 3.47Å; D510-R538 IonicContact OD2-NH2 3.01Å; D510-R538 PolarHBondContact OD2-NH2 3.25Å
511	I	97.8	Very high	94.3	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	127.1	173.7	-55.8	-179.2	0	0	0	108.9	S475 I477 K500 F528 A553 C554 L556	S475-I511 CarbonylContact O-C 3.45Å; S475-I511 WeakPolarHBondContact O-CA 3.29Å; I477-I511 HydrophobicContact CD1-CG2 3.63Å; I477-I511 HydrophobicContact CG1-CG2 3.7Å; K500-I511 HydrophobicContact CG-CD1 4.44Å; I511-F528 HydrophobicContact CB-CE1 4.18Å; I511-F528 HydrophobicContact CB-CZ 4.1Å; I511-F528 HydrophobicContact CG2-CE1 3.85Å; I511-F528 HydrophobicContact CG2-CZ 3.72Å; I511-A553 CarbonylContact O-C 3.34Å; I511-A553 WeakPolarHBondContact O-CA 3.38Å; I511-C554 HydrophobicContact CB-CB 4.41Å; I511-C554 PolarHBondContact N-O 2.83Å; I511-C554 PolarHBondContact O-N 2.88Å; I511-L556 HydrophobicContact CD1-CD1 3.92Å; I511-L556 HydrophobicContact CD1-CD2 4.26Å; I511-L556 HydrophobicContact CD1-CG 4.38Å; I511-L556 HydrophobicContact CG1-CD1 4.25Å; I511-L556 HydrophobicContact CG1-CG 4.49Å
512	L	97.6	Very high	94.2	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	147	-179.9	-56.9	177.9	0	0	0	109.7	F474 S475 E476 I477 V534 Y539 F551 A553	F474-L512 HydrophobicContact CB-CD1 4.49Å; F474-L512 HydrophobicContact CD2-CD1 3.57Å; F474-L512 HydrophobicContact CD2-CG 4.09Å; F474-L512 HydrophobicContact CE2-CD1 3.99Å; F474-L512 HydrophobicContact CG-CD1 4.06Å; S475-L512 PolarHBondContact O-N 3.03Å; E476-L512 CarbonylContact C-O 3.58Å; E476-L512 WeakPolarHBondContact CA-O 3.28Å; I477-L512 PolarHBondContact N-O 3.18Å; L512-V534 HydrophobicContact CD2-CG2 4.1Å; L512-Y539 HydrophobicContact CD1-CD1 4Å; L512-Y539 HydrophobicContact CD1-CG 3.83Å; L512-F551 HydrophobicContact CB-CE2 4.07Å; L512-F551 HydrophobicContact CB-CZ 4.3Å; L512-F551 HydrophobicContact CD1-CZ 4.15Å; L512-F551 HydrophobicContact CD2-CZ 4.11Å; L512-F551 HydrophobicContact CG-CZ 4.42Å; L512-A553 HydrophobicContact CD2-CB 3.48Å; L512-A553 VanDerWaalsContact CD2-CB 3.48Å
513	T	96.7	Very high	94.1	Very high	4 Å²	4	46.9 Å²	46.9	3%	0.025	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	150	177	-166.2	0	0	0	0	110.7	I477 F523 F528 M552	I477-T513 PolarHBondContact O-OG1 3.49Å; T513-F523 HydrophobicContact CG2-CD1 3.89Å; T513-F523 HydrophobicContact CG2-CD2 4.41Å; T513-F523 HydrophobicContact CG2-CE1 3.81Å; T513-F523 HydrophobicContact CG2-CE2 4.33Å; T513-F523 HydrophobicContact CG2-CG 4.19Å; T513-F523 HydrophobicContact CG2-CZ 4.04Å; T513-F528 HydrophobicContact CG2-CD1 3.8Å; T513-F528 HydrophobicContact CG2-CE1 3.8Å; T513-M552 HydrophobicContact CG2-CB 4.15Å; T513-M552 PolarHBondContact N-O 3.39Å; T513-M552 PolarHBondContact O-N 3.37Å
514	Y	95.6	Very high	94.1	Very high	47 Å²	47	51.7 Å²	51.7	18%	0.184	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	116.9	160.3	-81.6	-88.8	0	0	0	108.6	I543 K544 E545 Y546 A549 F551	Y514-I543 HydrophobicContact CE2-CD1 4.02Å; Y514-K544 WeakPolarHBondContact CD2-O 3.39Å; Y514-K544 VanDerWaalsContact CE2-O 3.25Å; Y514-K544 WeakPolarHBondContact CE2-O 3.32Å; Y514-E545 HydrophobicContact CE2-CG 4.48Å; Y514-Y546 AromaticContact CD2-CD2 3.96Å; Y514-Y546 HydrophobicContact CD2-CD2 3.96Å; Y514-Y546 AromaticContact CG-CD2 3.86Å; Y514-Y546 HydrophobicContact CG-CD2 3.86Å; Y514-A549 HydrophobicContact CD1-CB 3.94Å; Y514-A549 HydrophobicContact CG-CB 4.36Å; Y514-F551 HydrophobicContact CD1-CB 4.14Å; Y514-F551 HydrophobicContact CD1-CD2 4.39Å; Y514-F551 AromaticContact CD2-CD2 3.92Å; Y514-F551 HydrophobicContact CD2-CD2 3.92Å; Y514-F551 HydrophobicContact CD2-CE2 4.45Å; Y514-F551 HydrophobicContact CE1-CB 3.73Å; Y514-F551 HydrophobicContact CE1-CD2 4.11Å; Y514-F551 HydrophobicContact CE1-CG 4.22Å; Y514-F551 AromaticContact CE2-CD2 3.57Å; Y514-F551 HydrophobicContact CE2-CD2 3.57Å; Y514-F551 HydrophobicContact CE2-CE2 4Å; Y514-F551 HydrophobicContact CE2-CG 4.37Å; Y514-F551 HydrophobicContact CG-CD2 4.31Å; Y514-F551 AromaticContact CZ-CD2 3.68Å
515	A	94.2	Very high	93.9	Very high	1 Å²	1	58.6 Å²	58.6	1%	0.008	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	131.5	-178.8	0	0	0	0	0	110.6	A519 V520 F523 A549 T550 M552	A515-A519 HydrophobicContact CB-CB 4.38Å; A515-V520 HydrophobicContact CB-CG2 4.16Å; A515-F523 HydrophobicContact CB-CD2 3.5Å; A515-F523 HydrophobicContact CB-CE2 3.86Å; A515-F523 HydrophobicContact CB-CG 4.41Å; A515-A549 CarbonylContact O-C 3.57Å; A515-A549 WeakPolarHBondContact O-CA 3.39Å; A515-T550 PolarHBondContact N-O 3.39Å; A515-T550 PolarHBondContact O-N 3.45Å; A515-M552 HydrophobicContact CB-SD 3.89Å
516	D	90.5	Very high	93.9	Very high	56 Å²	56	50.6 Å²	50.6	30%	0.299	26%	0.257	S	S	.	.	P	Polyproline II helix	trans	-66.8	165.2	167.3	70.5	22.2	0	0	0	111.2	L518 A519 V520	D516-L518 PolarHBondContact O-N 3.29Å; D516-L518 VanDerWaalsContact O-N 3.13Å; D516-L518 PolarHBondContact OD1-N 3.28Å; D516-L518 VanDerWaalsContact OD1-N 3.15Å; D516-A519 PolarHBondContact O-N 2.61Å; D516-A519 WeakPolarHBondContact OD1-CB 3.49Å; D516-A519 PolarHBondContact OD1-N 3.18Å; D516-V520 WeakPolarHBondContact O-CG2 3.21Å; D516-V520 PolarHBondContact O-N 3.32Å
517	E	88.2	Confident	93.9	Very high	155 Å²	155	49 Å²	49	72%	0.724	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-31.3	-177	-63	-179.9	167.6	0	0	113.3
518	L	86.4	Confident	94	Very high	162 Å²	162	47.6 Å²	47.6	85%	0.848	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-31.6	179.7	-59.5	177.8	0	0	0	111.8	D516	D516-L518 PolarHBondContact O-N 3.29Å; D516-L518 VanDerWaalsContact O-N 3.13Å; D516-L518 PolarHBondContact OD1-N 3.28Å; D516-L518 VanDerWaalsContact OD1-N 3.15Å
519	A	91.2	Very high	94.1	Very high	23 Å²	23	50.3 Å²	50.3	19%	0.19	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-19.4	-177.6	0	0	0	0	0	113.5	A515 D516 G521 Y522 F523	A515-A519 HydrophobicContact CB-CB 4.38Å; D516-A519 PolarHBondContact O-N 2.61Å; D516-A519 WeakPolarHBondContact OD1-CB 3.49Å; D516-A519 PolarHBondContact OD1-N 3.18Å; A519-G521 VanDerWaalsContact C-N 3.26Å; A519-G521 PolarHBondContact O-N 2.9Å; A519-Y522 WeakPolarHBondContact O-CA 3.27Å; A519-Y522 WeakPolarHBondContact O-CB 3.3Å; A519-Y522 PolarHBondContact O-N 2.79Å; A519-F523 HydrophobicContact CB-CD2 3.91Å; A519-F523 HydrophobicContact CB-CE2 3.84Å; A519-F523 VanDerWaalsContact O-CD2 3.3Å; A519-F523 WeakPolarHBondContact O-CD2 3.41Å; A519-F523 PolarHBondContact O-N 3.02Å
520	V	92.3	Very high	94	Very high	13 Å²	13	51.7 Å²	51.7	8%	0.079	27%	0.273	C	S	.	.	H	α-helix	trans	-50.6	-47	178.9	171.9	0	0	0	0	111.4	A515 D516 Y522 F523 Q524 T550 M552	A515-V520 HydrophobicContact CB-CG2 4.16Å; D516-V520 WeakPolarHBondContact O-CG2 3.21Å; D516-V520 PolarHBondContact O-N 3.32Å; V520-Y522 VanDerWaalsContact C-N 3.3Å; V520-Y522 PolarHBondContact O-N 2.91Å; V520-F523 PolarHBondContact O-N 3.27Å; V520-Q524 HydrophobicContact CG1-CG 4.25Å; V520-Q524 WeakPolarHBondContact O-CB 3.48Å; V520-Q524 VanDerWaalsContact O-CG 3.3Å; V520-Q524 WeakPolarHBondContact O-CG 3.47Å; V520-Q524 PolarHBondContact O-N 3.46Å; V520-T550 HydrophobicContact CG2-CG2 4.41Å; V520-M552 HydrophobicContact CB-SD 4.42Å; V520-M552 HydrophobicContact CG1-CE 4.41Å; V520-M552 HydrophobicContact CG1-SD 4.14Å; V520-M552 HydrophobicContact CG2-SD 4.28Å
521	G	92.2	Very high	93.8	Very high	32 Å²	32	59.4 Å²	59.4	33%	0.33	31%	0.306	S	S	.	.	H	α-helix	trans	-66.6	-29.1	179.9	0	0	0	0	0	113.7	A519 K525	A519-G521 VanDerWaalsContact C-N 3.26Å; A519-G521 PolarHBondContact O-N 2.9Å; G521-K525 WeakPolarHBondContact O-CG 3.36Å; G521-K525 PolarHBondContact O-N 2.92Å
522	Y	93.4	Very high	93.6	Very high	55 Å²	55	61.7 Å²	61.7	22%	0.216	32%	0.318	C	S	.	.	H	α-helix	trans	-69.1	-54.1	171.4	165.9	-101	0	0	0	110.3	G492 M496 A519 V520 Q524 K525 Q526	G492-Y522 PolarHBondContact O-OH 3.35Å; M496-Y522 HydrophobicContact CE-CE1 4.02Å; A519-Y522 WeakPolarHBondContact O-CA 3.27Å; A519-Y522 WeakPolarHBondContact O-CB 3.3Å; A519-Y522 PolarHBondContact O-N 2.79Å; V520-Y522 VanDerWaalsContact C-N 3.3Å; V520-Y522 PolarHBondContact O-N 2.91Å; Y522-Q524 VanDerWaalsContact C-N 3.32Å; Y522-Q524 PolarHBondContact O-N 2.87Å; Y522-K525 WeakPolarHBondContact O-CB 3.31Å; Y522-K525 PolarHBondContact O-N 3.28Å; Y522-Q526 HydrophobicContact CD1-CG 4.42Å; Y522-Q526 HydrophobicContact CD2-CG 4.29Å; Y522-Q526 HydrophobicContact CE1-CG 4.05Å; Y522-Q526 HydrophobicContact CE2-CG 3.89Å; Y522-Q526 WeakPolarHBondContact O-CG 3.35Å; Y522-Q526 PolarHBondContact O-N 3.3Å; Y522-Q526 VanDerWaalsContact O-N 3.1Å
523	F	96.1	Very high	93.4	Very high	7 Å²	7	65.6 Å²	65.6	3%	0.031	34%	0.336	C	S	.	.	H	α-helix	trans	-60.8	-38.8	-178.6	-77.6	-71.2	0	0	0	112.5	I477 C480 M496 T513 A515 A519 V520 K525 Q526 G527 F528 M552	I477-F523 HydrophobicContact CD1-CE1 4.25Å; I477-F523 HydrophobicContact CG2-CZ 4.39Å; C480-F523 HydrophobicContact CB-CZ 4.18Å; M496-F523 HydrophobicContact CE-CD1 4.38Å; M496-F523 HydrophobicContact CE-CE1 3.99Å; T513-F523 HydrophobicContact CG2-CD1 3.89Å; T513-F523 HydrophobicContact CG2-CD2 4.41Å; T513-F523 HydrophobicContact CG2-CE1 3.81Å; T513-F523 HydrophobicContact CG2-CE2 4.33Å; T513-F523 HydrophobicContact CG2-CG 4.19Å; T513-F523 HydrophobicContact CG2-CZ 4.04Å; A515-F523 HydrophobicContact CB-CD2 3.5Å; A515-F523 HydrophobicContact CB-CE2 3.86Å; A515-F523 HydrophobicContact CB-CG 4.41Å; A519-F523 HydrophobicContact CB-CD2 3.91Å; A519-F523 HydrophobicContact CB-CE2 3.84Å; A519-F523 VanDerWaalsContact O-CD2 3.3Å; A519-F523 WeakPolarHBondContact O-CD2 3.41Å; A519-F523 PolarHBondContact O-N 3.02Å; V520-F523 PolarHBondContact O-N 3.27Å; F523-K525 VanDerWaalsContact C-N 3.32Å; F523-K525 PolarHBondContact O-N 3.46Å; F523-Q526 CarbonylContact O-C 3.58Å; F523-Q526 WeakPolarHBondContact O-CA 3.31Å; F523-Q526 PolarHBondContact O-N 3.42Å; F523-G527 PolarHBondContact O-N 3.44Å; F523-F528 HydrophobicContact CB-CB 3.91Å; F523-F528 HydrophobicContact CB-CD2 4.17Å; F523-F528 HydrophobicContact CB-CG 4.03Å; F523-F528 HydrophobicContact CD1-CD1 4.2Å; F523-F528 AromaticContact CD1-CD2 3.74Å; F523-F528 HydrophobicContact CD1-CD2 3.74Å; F523-F528 HydrophobicContact CD1-CE1 4.24Å; F523-F528 AromaticContact CD1-CE2 3.78Å; F523-F528 HydrophobicContact CD1-CE2 3.78Å; F523-F528 AromaticContact CD1-CG 3.97Å; F523-F528 HydrophobicContact CD1-CG 3.97Å; F523-F528 HydrophobicContact CD1-CZ 4.04Å; F523-F528 HydrophobicContact CE1-CE2 4.37Å; F523-F528 HydrophobicContact CE1-CZ 4.31Å; F523-F528 HydrophobicContact CG-CD2 4.46Å; F523-F528 HydrophobicContact CG-CG 4.45Å; F523-F528 WeakPolarHBondContact O-CB 3.41Å; F523-F528 WeakPolarHBondContact O-CD2 3.48Å; F523-F528 PolarHBondContact O-N 3.36Å; F523-M552 HydrophobicContact CB-CE 4.01Å; F523-M552 HydrophobicContact CB-SD 3.93Å
524	Q	95.8	Very high	93.1	Very high	101 Å²	101	65.8 Å²	65.8	47%	0.472	34%	0.337	S	S	.	.	H	α-helix	trans	-56.6	-44.3	173	-76.2	178.8	-24.7	0	0	112.3	V520 Y522 Q526 G527 F528 M552	V520-Q524 HydrophobicContact CG1-CG 4.25Å; V520-Q524 WeakPolarHBondContact O-CB 3.48Å; V520-Q524 VanDerWaalsContact O-CG 3.3Å; V520-Q524 WeakPolarHBondContact O-CG 3.47Å; V520-Q524 PolarHBondContact O-N 3.46Å; Y522-Q524 VanDerWaalsContact C-N 3.32Å; Y522-Q524 PolarHBondContact O-N 2.87Å; Q524-Q526 PolarHBondContact O-N 2.88Å; Q524-G527 PolarHBondContact O-N 3.44Å; Q524-G527 VanDerWaalsContact O-N 3.08Å; Q524-F528 WeakPolarHBondContact CA-O 3.41Å; Q524-M552 HydrophobicContact CG-CE 3.6Å
525	K	92.7	Very high	93	Very high	173 Å²	173	68.5 Å²	68.5	75%	0.752	35%	0.354	S	S	*	.	H	α-helix	trans	-66.5	-26.7	176	-69.9	172.4	-174.9	175.5	0	112.7	G521 Y522 F523 G527	G521-K525 WeakPolarHBondContact O-CG 3.36Å; G521-K525 PolarHBondContact O-N 2.92Å; Y522-K525 WeakPolarHBondContact O-CB 3.31Å; Y522-K525 PolarHBondContact O-N 3.28Å; F523-K525 VanDerWaalsContact C-N 3.32Å; F523-K525 PolarHBondContact O-N 3.46Å; K525-G527 PolarHBondContact O-N 2.78Å
526	Q	94.3	Very high	92.9	Very high	11 Å²	11	75.2 Å²	75.2	5%	0.051	38%	0.38	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83	6.3	174.2	-54.6	-48.7	-38.7	0	0	113.3	T493 M496 K500 Y522 F523 Q524 F528	T493-Q526 PolarHBondContact OG1-NE2 3.41Å; M496-Q526 HydrophobicContact CB-CG 4.41Å; M496-Q526 HydrophobicContact CE-CG 4.47Å; M496-Q526 HydrophobicContact CG-CB 3.96Å; M496-Q526 HydrophobicContact CG-CG 3.9Å; K500-Q526 WeakPolarHBondContact CE-O 3.31Å; K500-Q526 PolarHBondContact NZ-O 2.91Å; Y522-Q526 HydrophobicContact CD1-CG 4.42Å; Y522-Q526 HydrophobicContact CD2-CG 4.29Å; Y522-Q526 HydrophobicContact CE1-CG 4.05Å; Y522-Q526 HydrophobicContact CE2-CG 3.89Å; Y522-Q526 WeakPolarHBondContact O-CG 3.35Å; Y522-Q526 PolarHBondContact O-N 3.3Å; Y522-Q526 VanDerWaalsContact O-N 3.1Å; F523-Q526 CarbonylContact O-C 3.58Å; F523-Q526 WeakPolarHBondContact O-CA 3.31Å; F523-Q526 PolarHBondContact O-N 3.42Å; Q524-Q526 PolarHBondContact O-N 2.88Å; Q526-F528 HydrophobicContact CB-CD2 4.03Å; Q526-F528 HydrophobicContact CB-CE2 4.21Å
527	G	94.7	Very high	93.1	Very high	49 Å²	49	76.6 Å²	76.6	51%	0.505	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.8	19	178.1	0	0	0	0	0	114.4	F523 Q524 K525 C554	F523-G527 PolarHBondContact O-N 3.44Å; Q524-G527 PolarHBondContact O-N 3.44Å; Q524-G527 VanDerWaalsContact O-N 3.08Å; K525-G527 PolarHBondContact O-N 2.78Å; G527-C554 PolarHBondContact O-SG 3.01Å
528	F	97.3	Very high	93.3	Very high	7 Å²	7	73 Å²	73	3%	0.031	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	141.4	169.2	-69.5	-109.2	0	0	0	110.7	I477 M496 I511 T513 F523 Q524 Q526 M552 A553 C554	I477-F528 HydrophobicContact CD1-CZ 3.91Å; M496-F528 HydrophobicContact CE-CE2 4.25Å; M496-F528 HydrophobicContact SD-CE2 4.14Å; I511-F528 HydrophobicContact CB-CE1 4.18Å; I511-F528 HydrophobicContact CB-CZ 4.1Å; I511-F528 HydrophobicContact CG2-CE1 3.85Å; I511-F528 HydrophobicContact CG2-CZ 3.72Å; T513-F528 HydrophobicContact CG2-CD1 3.8Å; T513-F528 HydrophobicContact CG2-CE1 3.8Å; F523-F528 HydrophobicContact CB-CB 3.91Å; F523-F528 HydrophobicContact CB-CD2 4.17Å; F523-F528 HydrophobicContact CB-CG 4.03Å; F523-F528 HydrophobicContact CD1-CD1 4.2Å; F523-F528 AromaticContact CD1-CD2 3.74Å; F523-F528 HydrophobicContact CD1-CD2 3.74Å; F523-F528 HydrophobicContact CD1-CE1 4.24Å; F523-F528 AromaticContact CD1-CE2 3.78Å; F523-F528 HydrophobicContact CD1-CE2 3.78Å; F523-F528 AromaticContact CD1-CG 3.97Å; F523-F528 HydrophobicContact CD1-CG 3.97Å; F523-F528 HydrophobicContact CD1-CZ 4.04Å; F523-F528 HydrophobicContact CE1-CE2 4.37Å; F523-F528 HydrophobicContact CE1-CZ 4.31Å; F523-F528 HydrophobicContact CG-CD2 4.46Å; F523-F528 HydrophobicContact CG-CG 4.45Å; F523-F528 WeakPolarHBondContact O-CB 3.41Å; F523-F528 WeakPolarHBondContact O-CD2 3.48Å; F523-F528 PolarHBondContact O-N 3.36Å; Q524-F528 WeakPolarHBondContact CA-O 3.41Å; Q526-F528 HydrophobicContact CB-CD2 4.03Å; Q526-F528 HydrophobicContact CB-CE2 4.21Å; F528-M552 HydrophobicContact CB-CB 4.13Å; F528-M552 HydrophobicContact CB-CE 3.78Å; F528-M552 HydrophobicContact CD1-CB 4.3Å; F528-A553 CarbonylContact C-O 3.42Å; F528-A553 VanDerWaalsContact CA-O 3.3Å; F528-A553 WeakPolarHBondContact CA-O 3.46Å; F528-C554 HydrophobicContact CB-CB 4.41Å; F528-C554 HydrophobicContact CD1-CB 3.61Å; F528-C554 HydrophobicContact CD2-CB 3.65Å; F528-C554 HydrophobicContact CE1-CB 3.6Å; F528-C554 HydrophobicContact CE2-CB 3.65Å; F528-C554 HydrophobicContact CG-CB 3.63Å; F528-C554 HydrophobicContact CZ-CB 3.62Å
529	S	96.3	Very high	93.6	Very high	57 Å²	57	67 Å²	67	40%	0.399	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	149.9	177.5	-176.1	0	0	0	0	110.8	K531 M552 A553	S529-K531 PolarHBondContact OG-N 3.17Å; S529-M552 VanDerWaalsContact O-CA 3.31Å; S529-M552 WeakPolarHBondContact O-CA 3.18Å; S529-A553 PolarHBondContact N-O 3.22Å; S529-A553 PolarHBondContact O-N 2.97Å
530	K	94.6	Very high	93.6	Very high	119 Å²	119	70.4 Å²	70.4	52%	0.517	35%	0.352	S	S	.	.	S	Bend	trans	-72.8	-19.9	167.7	-58.1	-173.9	-177.4	-169.8	0	111.7	I532 T550 M552	K530-I532 PolarHBondContact O-N 3.32Å; K530-T550 HydrophobicContact CD-CG2 3.99Å; K530-T550 HydrophobicContact CG-CG2 3.98Å; K530-M552 HydrophobicContact CG-CG 4.48Å
531	K	92.9	Very high	93.5	Very high	176 Å²	176	73.6 Å²	73.6	77%	0.765	39%	0.387	S	S	*	.	S	Bend	trans	-81.7	101.4	174.4	-174	177.5	-178.4	176.8	0	108.7	S529 H533	S529-K531 PolarHBondContact OG-N 3.17Å; K531-H533 PolarHBondContact O-N 3.4Å
532	I	93.1	Very high	93.5	Very high	47 Å²	47	77 Å²	77	24%	0.241	39%	0.391	C	S	.	.			trans	-73.1	115.3	-179	-47.6	-56	0	0	0	109.1	K530 V534 Y539 F551 A553	K530-I532 PolarHBondContact O-N 3.32Å; I532-V534 HydrophobicContact CG2-CB 4.3Å; I532-Y539 HydrophobicContact CG2-CE1 4.11Å; I532-F551 HydrophobicContact CB-CE1 4.44Å; I532-F551 HydrophobicContact CD1-CD1 3.46Å; I532-F551 VanDerWaalsContact CD1-CD1 3.46Å; I532-F551 HydrophobicContact CD1-CE1 3.66Å; I532-F551 HydrophobicContact CD1-CG 4.14Å; I532-F551 HydrophobicContact CD1-CZ 4.47Å; I532-F551 HydrophobicContact CG1-CD1 3.57Å; I532-F551 HydrophobicContact CG1-CE1 3.67Å; I532-F551 HydrophobicContact CG2-CE1 3.96Å; I532-A553 HydrophobicContact CD1-CB 3.82Å; I532-A553 HydrophobicContact CG2-CB 4.31Å
533	H	92.1	Very high	93.4	Very high	83 Å²	83	75.2 Å²	75.2	38%	0.384	39%	0.385	S	S	.	.			trans	-90	-11.5	177.7	65.6	-80.1	0	0	0	113.2	D510 K531	D510-H533 IonicContact OD1-CD2 3.95Å; D510-H533 IonicContact OD1-CE1 2.6Å; D510-H533 IonicContact OD1-NE2 3.04Å; D510-H533 PolarHBondContact OD1-NE2 2.8Å; K531-H533 PolarHBondContact O-N 3.4Å
534	V	91.7	Very high	93.1	Very high	8 Å²	8	80.5 Å²	80.5	5%	0.048	41%	0.408	C	S	.	.	S	Bend	trans	-82.7	131.8	177.7	-173.8	0	0	0	0	108.8	D510 L512 I532 R538 Y539	D510-V534 HydrophobicContact CB-CG2 3.83Å; L512-V534 HydrophobicContact CD2-CG2 4.1Å; I532-V534 HydrophobicContact CG2-CB 4.3Å; V534-R538 HydrophobicContact CG1-CB 4.02Å; V534-Y539 HydrophobicContact CB-CD1 4.3Å; V534-Y539 HydrophobicContact CB-CE1 4.47Å; V534-Y539 HydrophobicContact CG1-CD1 3.94Å
535	D	92.9	Very high	92.7	Very high	103 Å²	103	82 Å²	82	55%	0.551	42%	0.415	S	S	*	.			trans	-62	137.3	174.7	-175.8	14.4	0	0	0	111	S537 R538 Y539	D535-S537 VanDerWaalsContact CG-OG 3.25Å; D535-S537 PolarHBondContact O-N 3.41Å; D535-S537 PolarHBondContact OD2-OG 2.99Å; D535-R538 WeakPolarHBondContact O-CB 3.39Å; D535-R538 PolarHBondContact O-N 2.83Å; D535-Y539 WeakPolarHBondContact O-CD1 3.35Å
536	R	93	Very high	92.4	Very high	143 Å²	143	75.6 Å²	75.6	54%	0.54	39%	0.386	S	S	.	.	H	α-helix	trans	-56.3	-36.5	-176.9	-174.7	177.4	172.5	150.7	5.4	112	R538 Y539 E540	R536-R538 PolarHBondContact O-N 3.24Å; R536-R538 VanDerWaalsContact O-N 3.08Å; R536-Y539 VanDerWaalsContact CA-CE1 3.47Å; R536-Y539 HydrophobicContact CB-CE1 4.4Å; R536-Y539 HydrophobicContact CG-CE2 4.44Å; R536-Y539 PolarHBondContact O-N 3.34Å; R536-E540 HydrophobicContact CG-CB 4.2Å; R536-E540 WeakPolarHBondContact CG-OE2 3.37Å; R536-E540 IonicContact CZ-OE1 3.65Å; R536-E540 VanDerWaalsContact CZ-OE1 3.28Å; R536-E540 IonicContact CZ-OE2 2.77Å; R536-E540 IonicContact NE-OE1 3.03Å; R536-E540 PolarHBondContact NE-OE1 3.46Å; R536-E540 IonicContact NE-OE2 2.7Å; R536-E540 PolarHBondContact NE-OE2 3.33Å; R536-E540 IonicContact NH2-OE1 2.62Å; R536-E540 PolarHBondContact NH2-OE1 3.18Å; R536-E540 VanDerWaalsContact O-CB 3.27Å; R536-E540 WeakPolarHBondContact O-CB 3.39Å; R536-E540 PolarHBondContact O-N 3.28Å
537	S	93.1	Very high	91.8	Very high	84 Å²	84	84.7 Å²	84.7	59%	0.587	43%	0.429	S	S	*	.	H	α-helix	trans	-56	-25.5	177.2	68.1	0	0	0	0	114.2	D535	D535-S537 VanDerWaalsContact CG-OG 3.25Å; D535-S537 PolarHBondContact O-N 3.41Å; D535-S537 PolarHBondContact OD2-OG 2.99Å
538	R	92.9	Very high	91.2	Very high	81 Å²	81	85.9 Å²	85.9	31%	0.306	44%	0.441	S	S	.	.	H	α-helix	trans	-80.5	-29.6	-177.6	-68.9	178.1	61.5	-158.2	-6.4	113.6	Q472 G473 F474 D510 V534 D535 R536	Q472-R538 VanDerWaalsContact O-CZ 3.31Å; Q472-R538 PolarHBondContact O-NE 3.19Å; Q472-R538 PolarHBondContact O-NH2 3.4Å; G473-R538 VanDerWaalsContact C-NH2 3.31Å; G473-R538 PolarHBondContact O-NH2 2.95Å; G473-R538 VanDerWaalsContact O-NH2 3.09Å; F474-R538 VanDerWaalsContact CE1-O 3.22Å; F474-R538 WeakPolarHBondContact CE1-O 3.39Å; D510-R538 IonicContact OD2-CZ 3.35Å; D510-R538 IonicContact OD2-NH1 2.79Å; D510-R538 PolarHBondContact OD2-NH1 3.47Å; D510-R538 IonicContact OD2-NH2 3.01Å; D510-R538 PolarHBondContact OD2-NH2 3.25Å; V534-R538 HydrophobicContact CG1-CB 4.02Å; D535-R538 WeakPolarHBondContact O-CB 3.39Å; D535-R538 PolarHBondContact O-N 2.83Å; R536-R538 PolarHBondContact O-N 3.24Å; R536-R538 VanDerWaalsContact O-N 3.08Å
539	Y	93.4	Very high	90.9	Very high	34 Å²	34	86.8 Å²	86.8	13%	0.133	45%	0.45	C	S	.	.	H	α-helix	trans	-121.2	-17.4	-170.4	67	-102.7	0	0	0	114.5	L512 I532 V534 D535 R536 G541 Y542 I543 F551	L512-Y539 HydrophobicContact CD1-CD1 4Å; L512-Y539 HydrophobicContact CD1-CG 3.83Å; I532-Y539 HydrophobicContact CG2-CE1 4.11Å; V534-Y539 HydrophobicContact CB-CD1 4.3Å; V534-Y539 HydrophobicContact CB-CE1 4.47Å; V534-Y539 HydrophobicContact CG1-CD1 3.94Å; D535-Y539 WeakPolarHBondContact O-CD1 3.35Å; R536-Y539 VanDerWaalsContact CA-CE1 3.47Å; R536-Y539 HydrophobicContact CB-CE1 4.4Å; R536-Y539 HydrophobicContact CG-CE2 4.44Å; R536-Y539 PolarHBondContact O-N 3.34Å; Y539-G541 PolarHBondContact O-N 2.89Å; Y539-Y542 WeakPolarHBondContact O-CB 3.49Å; Y539-Y542 PolarHBondContact O-N 3.09Å; Y539-I543 HydrophobicContact CD2-CD1 3.53Å; Y539-I543 HydrophobicContact CD2-CG1 4.12Å; Y539-I543 HydrophobicContact CE2-CD1 4.11Å; Y539-I543 HydrophobicContact CG-CD1 4.32Å; Y539-F551 HydrophobicContact CD2-CZ 4.19Å; Y539-F551 HydrophobicContact CE1-CE1 4.38Å; Y539-F551 AromaticContact CE2-CE1 3.89Å; Y539-F551 HydrophobicContact CE2-CE1 3.89Å; Y539-F551 AromaticContact CE2-CZ 3.91Å; Y539-F551 HydrophobicContact CE2-CZ 3.91Å; Y539-F551 AromaticContact CZ-CE1 3.77Å
540	E	90.8	Very high	90.8	Very high	96 Å²	96	86 Å²	86	45%	0.449	44%	0.442	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	128.6	-179.7	-176.6	160.1	-144.4	0	0	111.3	R536 Y542	R536-E540 HydrophobicContact CG-CB 4.2Å; R536-E540 WeakPolarHBondContact CG-OE2 3.37Å; R536-E540 IonicContact CZ-OE1 3.65Å; R536-E540 VanDerWaalsContact CZ-OE1 3.28Å; R536-E540 IonicContact CZ-OE2 2.77Å; R536-E540 IonicContact NE-OE1 3.03Å; R536-E540 PolarHBondContact NE-OE1 3.46Å; R536-E540 IonicContact NE-OE2 2.7Å; R536-E540 PolarHBondContact NE-OE2 3.33Å; R536-E540 IonicContact NH2-OE1 2.62Å; R536-E540 PolarHBondContact NH2-OE1 3.18Å; R536-E540 VanDerWaalsContact O-CB 3.27Å; R536-E540 WeakPolarHBondContact O-CB 3.39Å; R536-E540 PolarHBondContact O-N 3.28Å; E540-Y542 VanDerWaalsContact C-N 3.28Å; E540-Y542 WeakPolarHBondContact O-CD2 3.48Å; E540-Y542 PolarHBondContact O-N 3.1Å
541	G	90.8	Very high	90.8	Very high	80 Å²	80	82 Å²	82	83%	0.825	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.4	-9	-176.1	0	0	0	0	0	115.9	Y539	Y539-G541 PolarHBondContact O-N 2.89Å
542	Y	91.5	Very high	91	Very high	102 Å²	102	73.6 Å²	73.6	40%	0.4	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.8	-35.9	178.1	-70.3	-90.7	0	0	0	113.5	F469 Q472 F474 Y539 E540	F469-Y542 AromaticContact CD1-CD1 3.66Å; F469-Y542 HydrophobicContact CD1-CD1 3.66Å; F469-Y542 HydrophobicContact CD1-CE1 4.42Å; F469-Y542 HydrophobicContact CD1-CG 4.37Å; F469-Y542 AromaticContact CE1-CD1 3.64Å; F469-Y542 HydrophobicContact CE1-CD1 3.64Å; F469-Y542 HydrophobicContact CE1-CG 4.29Å; F469-Y542 WeakPolarHBondContact CZ-O 3.49Å; Q472-Y542 HydrophobicContact CG-CE1 4.25Å; Q472-Y542 HydrophobicContact CG-CE2 4.23Å; Q472-Y542 PolarHBondContact NE2-OH 3.34Å; Q472-Y542 VanDerWaalsContact NE2-OH 3.14Å; F474-Y542 HydrophobicContact CZ-CG 4.41Å; Y539-Y542 WeakPolarHBondContact O-CB 3.49Å; Y539-Y542 PolarHBondContact O-N 3.09Å; E540-Y542 VanDerWaalsContact C-N 3.28Å; E540-Y542 WeakPolarHBondContact O-CD2 3.48Å; E540-Y542 PolarHBondContact O-N 3.1Å
543	I	91.7	Very high	91.2	Very high	19 Å²	19	71.5 Å²	71.5	10%	0.097	38%	0.378	C	S	.	.	S	Bend	trans	-95.1	152.7	-177.1	62.9	174.2	0	0	0	111.8	F474 E476 Y514 Y539 F551	F474-I543 HydrophobicContact CE2-CG2 3.48Å; F474-I543 VanDerWaalsContact CE2-CG2 3.48Å; F474-I543 HydrophobicContact CZ-CG2 3.92Å; E476-I543 HydrophobicContact CB-CG2 4.14Å; E476-I543 HydrophobicContact CG-CG2 4.2Å; E476-I543 WeakPolarHBondContact OE1-CA 3.27Å; E476-I543 WeakPolarHBondContact OE1-CB 3.33Å; Y514-I543 HydrophobicContact CE2-CD1 4.02Å; Y539-I543 HydrophobicContact CD2-CD1 3.53Å; Y539-I543 HydrophobicContact CD2-CG1 4.12Å; Y539-I543 HydrophobicContact CE2-CD1 4.11Å; Y539-I543 HydrophobicContact CG-CD1 4.32Å; I543-F551 HydrophobicContact CD1-CD2 4.38Å; I543-F551 HydrophobicContact CD1-CE2 3.42Å; I543-F551 VanDerWaalsContact CD1-CE2 3.42Å; I543-F551 HydrophobicContact CD1-CZ 3.58Å
544	K	88.8	Confident	91.5	Very high	118 Å²	118	67.7 Å²	67.7	51%	0.513	36%	0.361	S	S	.	.	P	Polyproline II helix	trans	-85.6	125.1	175.7	-176.2	66	-176.5	172.4	0	110.2	E476 Y514 Y546	E476-K544 PolarHBondContact OE1-N 3.39Å; Y514-K544 WeakPolarHBondContact CD2-O 3.39Å; Y514-K544 VanDerWaalsContact CE2-O 3.25Å; Y514-K544 WeakPolarHBondContact CE2-O 3.32Å; K544-Y546 HydrophobicContact CB-CE2 3.89Å; K544-Y546 HydrophobicContact CG-CD2 4.38Å; K544-Y546 HydrophobicContact CG-CE1 4.43Å; K544-Y546 HydrophobicContact CG-CE2 3.88Å; K544-Y546 WeakPolarHBondContact O-CD2 3.5Å; K544-Y546 WeakPolarHBondContact O-CE2 3.27Å
545	E	87.4	Confident	91.7	Very high	131 Å²	131	72.9 Å²	72.9	61%	0.612	38%	0.383	S	S	*	.	P	Polyproline II helix	trans	-82.4	136	171.5	-53	-169	174.4	0	0	110.9	Y514	Y514-E545 HydrophobicContact CE2-CG 4.48Å
546	Y	86.8	Confident	91.9	Very high	40 Å²	40	68.1 Å²	68.1	16%	0.157	36%	0.357	C	S	.	.			trans	-120.1	127.2	179.8	-65.7	-93.7	0	0	0	110.3	M435 Y439 V478 Y514 K544 A549	M435-Y546 HydrophobicContact CE-CD1 3.7Å; M435-Y546 HydrophobicContact CE-CE1 3.52Å; M435-Y546 HydrophobicContact SD-CD1 4.28Å; M435-Y546 HydrophobicContact SD-CE1 3.88Å; Y439-Y546 HydrophobicContact CE1-CE1 4.01Å; Y439-Y546 PolarHBondContact OH-OH 3.25Å; V478-Y546 VanDerWaalsContact CG1-OH 3.32Å; V478-Y546 WeakPolarHBondContact CG1-OH 3.3Å; Y514-Y546 AromaticContact CD2-CD2 3.96Å; Y514-Y546 HydrophobicContact CD2-CD2 3.96Å; Y514-Y546 AromaticContact CG-CD2 3.86Å; Y514-Y546 HydrophobicContact CG-CD2 3.86Å; K544-Y546 HydrophobicContact CB-CE2 3.89Å; K544-Y546 HydrophobicContact CG-CD2 4.38Å; K544-Y546 HydrophobicContact CG-CE1 4.43Å; K544-Y546 HydrophobicContact CG-CE2 3.88Å; K544-Y546 WeakPolarHBondContact O-CD2 3.5Å; K544-Y546 WeakPolarHBondContact O-CE2 3.27Å; Y546-A549 PolarHBondContact O-N 3.12Å
547	E	81.3	Confident	91.9	Very high	202 Å²	202	68.1 Å²	68.1	94%	0.944	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	136.8	174.8	-67.2	-175.4	177.3	0	0	111.2	A549	E547-A549 PolarHBondContact O-N 2.82Å
548	G	83	Confident	91.9	Very high	73 Å²	73	67.6 Å²	67.6	75%	0.753	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.7	7.3	179.9	0	0	0	0	0	115.2
549	A	90.2	Very high	91.9	Very high	27 Å²	27	71 Å²	71	22%	0.223	38%	0.377	C	S	.	.	P	Polyproline II helix	trans	-102.6	146.3	174.7	0	0	0	0	0	111.6	Y514 A515 Y546 E547	Y514-A549 HydrophobicContact CD1-CB 3.94Å; Y514-A549 HydrophobicContact CG-CB 4.36Å; A515-A549 CarbonylContact O-C 3.57Å; A515-A549 WeakPolarHBondContact O-CA 3.39Å; Y546-A549 PolarHBondContact O-N 3.12Å; E547-A549 PolarHBondContact O-N 2.82Å
550	T	93.8	Very high	91.8	Very high	40 Å²	40	71 Å²	71	25%	0.245	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	121.9	175.4	-59.2	0	0	0	0	109.8	A515 V520 K530 M552	A515-T550 PolarHBondContact N-O 3.39Å; A515-T550 PolarHBondContact O-N 3.45Å; V520-T550 HydrophobicContact CG2-CG2 4.41Å; K530-T550 HydrophobicContact CD-CG2 3.99Å; K530-T550 HydrophobicContact CG-CG2 3.98Å; T550-M552 HydrophobicContact CG2-CG 3.97Å
551	F	95.9	Very high	92	Very high	35 Å²	35	69.6 Å²	69.6	15%	0.154	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	129.7	172.9	-171.4	-131.3	0	0	0	111	L512 Y514 I532 Y539 I543	L512-F551 HydrophobicContact CB-CE2 4.07Å; L512-F551 HydrophobicContact CB-CZ 4.3Å; L512-F551 HydrophobicContact CD1-CZ 4.15Å; L512-F551 HydrophobicContact CD2-CZ 4.11Å; L512-F551 HydrophobicContact CG-CZ 4.42Å; Y514-F551 HydrophobicContact CD1-CB 4.14Å; Y514-F551 HydrophobicContact CD1-CD2 4.39Å; Y514-F551 AromaticContact CD2-CD2 3.92Å; Y514-F551 HydrophobicContact CD2-CD2 3.92Å; Y514-F551 HydrophobicContact CD2-CE2 4.45Å; Y514-F551 HydrophobicContact CE1-CB 3.73Å; Y514-F551 HydrophobicContact CE1-CD2 4.11Å; Y514-F551 HydrophobicContact CE1-CG 4.22Å; Y514-F551 AromaticContact CE2-CD2 3.57Å; Y514-F551 HydrophobicContact CE2-CD2 3.57Å; Y514-F551 HydrophobicContact CE2-CE2 4Å; Y514-F551 HydrophobicContact CE2-CG 4.37Å; Y514-F551 HydrophobicContact CG-CD2 4.31Å; Y514-F551 AromaticContact CZ-CD2 3.68Å; I532-F551 HydrophobicContact CB-CE1 4.44Å; I532-F551 HydrophobicContact CD1-CD1 3.46Å; I532-F551 VanDerWaalsContact CD1-CD1 3.46Å; I532-F551 HydrophobicContact CD1-CE1 3.66Å; I532-F551 HydrophobicContact CD1-CG 4.14Å; I532-F551 HydrophobicContact CD1-CZ 4.47Å; I532-F551 HydrophobicContact CG1-CD1 3.57Å; I532-F551 HydrophobicContact CG1-CE1 3.67Å; I532-F551 HydrophobicContact CG2-CE1 3.96Å; Y539-F551 HydrophobicContact CD2-CZ 4.19Å; Y539-F551 HydrophobicContact CE1-CE1 4.38Å; Y539-F551 AromaticContact CE2-CE1 3.89Å; Y539-F551 HydrophobicContact CE2-CE1 3.89Å; Y539-F551 AromaticContact CE2-CZ 3.91Å; Y539-F551 HydrophobicContact CE2-CZ 3.91Å; Y539-F551 AromaticContact CZ-CE1 3.77Å; I543-F551 HydrophobicContact CD1-CD2 4.38Å; I543-F551 HydrophobicContact CD1-CE2 3.42Å; I543-F551 VanDerWaalsContact CD1-CE2 3.42Å; I543-F551 HydrophobicContact CD1-CZ 3.58Å
552	M	96.8	Very high	92.1	Very high	0 Å²	0	66.6 Å²	66.6	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	147.9	-175.8	-60	-176	72	0	0	111.6	T513 A515 V520 F523 Q524 F528 S529 K530 T550	T513-M552 HydrophobicContact CG2-CB 4.15Å; T513-M552 PolarHBondContact N-O 3.39Å; T513-M552 PolarHBondContact O-N 3.37Å; A515-M552 HydrophobicContact CB-SD 3.89Å; V520-M552 HydrophobicContact CB-SD 4.42Å; V520-M552 HydrophobicContact CG1-CE 4.41Å; V520-M552 HydrophobicContact CG1-SD 4.14Å; V520-M552 HydrophobicContact CG2-SD 4.28Å; F523-M552 HydrophobicContact CB-CE 4.01Å; F523-M552 HydrophobicContact CB-SD 3.93Å; Q524-M552 HydrophobicContact CG-CE 3.6Å; F528-M552 HydrophobicContact CB-CB 4.13Å; F528-M552 HydrophobicContact CB-CE 3.78Å; F528-M552 HydrophobicContact CD1-CB 4.3Å; S529-M552 VanDerWaalsContact O-CA 3.31Å; S529-M552 WeakPolarHBondContact O-CA 3.18Å; K530-M552 HydrophobicContact CG-CG 4.48Å; T550-M552 HydrophobicContact CG2-CG 3.97Å
553	A	97.1	Very high	92.2	Very high	2 Å²	2	63 Å²	63	2%	0.017	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	142.3	180	0	0	0	0	0	112.1	I511 L512 F528 S529 I532	I511-A553 CarbonylContact O-C 3.34Å; I511-A553 WeakPolarHBondContact O-CA 3.38Å; L512-A553 HydrophobicContact CD2-CB 3.48Å; L512-A553 VanDerWaalsContact CD2-CB 3.48Å; F528-A553 CarbonylContact C-O 3.42Å; F528-A553 VanDerWaalsContact CA-O 3.3Å; F528-A553 WeakPolarHBondContact CA-O 3.46Å; S529-A553 PolarHBondContact N-O 3.22Å; S529-A553 PolarHBondContact O-N 2.97Å; I532-A553 HydrophobicContact CD1-CB 3.82Å; I532-A553 HydrophobicContact CG2-CB 4.31Å
554	C	97.6	Very high	92.1	Very high	4 Å²	4	65.9 Å²	65.9	3%	0.027	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	130.5	172.5	-174.4	0	0	0	0	109.7	I511 G527 F528	I511-C554 HydrophobicContact CB-CB 4.41Å; I511-C554 PolarHBondContact N-O 2.83Å; I511-C554 PolarHBondContact O-N 2.88Å; G527-C554 PolarHBondContact O-SG 3.01Å; F528-C554 HydrophobicContact CB-CB 4.41Å; F528-C554 HydrophobicContact CD1-CB 3.61Å; F528-C554 HydrophobicContact CD2-CB 3.65Å; F528-C554 HydrophobicContact CE1-CB 3.6Å; F528-C554 HydrophobicContact CE2-CB 3.65Å; F528-C554 HydrophobicContact CG-CB 3.63Å; F528-C554 HydrophobicContact CZ-CB 3.62Å
555	K	96.6	Very high	92.1	Very high	117 Å²	117	62.6 Å²	62.6	51%	0.509	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	124.9	171.9	-168.9	174.7	-178.6	175.8	0	109.6
556	L	96.3	Very high	92	Very high	2 Å²	2	57.8 Å²	57.8	1%	0.01	32%	0.315	C	S	.	.	P	Polyproline II helix	trans	-90.3	145.5	177.2	-51.7	-174.3	0	0	0	111.1	K500 H503 I504 Y509 I511 Y562	K500-L556 HydrophobicContact CB-CD1 4.25Å; K500-L556 HydrophobicContact CB-CD2 4.08Å; K500-L556 HydrophobicContact CD-CD2 3.9Å; K500-L556 HydrophobicContact CG-CD1 4.43Å; K500-L556 HydrophobicContact CG-CD2 3.63Å; H503-L556 HydrophobicContact CB-CD1 3.78Å; I504-L556 HydrophobicContact CD1-CB 4.41Å; I504-L556 HydrophobicContact CG1-CB 4.17Å; I504-L556 HydrophobicContact CG1-CD1 4.02Å; Y509-L556 PolarHBondContact O-N 2.89Å; I511-L556 HydrophobicContact CD1-CD1 3.92Å; I511-L556 HydrophobicContact CD1-CD2 4.26Å; I511-L556 HydrophobicContact CD1-CG 4.38Å; I511-L556 HydrophobicContact CG1-CD1 4.25Å; I511-L556 HydrophobicContact CG1-CG 4.49Å; L556-Y562 WeakPolarHBondContact CA-OH 3.34Å; L556-Y562 HydrophobicContact CD2-CE2 4.48Å
557	Y	94.7	Very high	91.7	Very high	144 Å²	144	57 Å²	57	57%	0.565	32%	0.315	S	S	*	.	P	Polyproline II helix	trans	-100.1	121.4	176	-67.3	-80.1	0	0	0	110	N559 V560 Y562	Y557-N559 PolarHBondContact O-N 2.79Å; Y557-N559 VanDerWaalsContact O-N 3.1Å; Y557-V560 PolarHBondContact O-N 3.4Å; Y557-V560 VanDerWaalsContact O-N 3.14Å; Y557-Y562 PolarHBondContact N-OH 3.46Å; Y557-Y562 VanDerWaalsContact N-OH 3.13Å
558	P	92.9	Very high	92	Very high	72 Å²	72	50 Å²	50	47%	0.468	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-28.4	-172.9	-24.1	30.2	0	0	0	115.2	Y509	Y509-P558 HydrophobicContact CD1-CG 3.95Å; Y509-P558 HydrophobicContact CE1-CB 3.81Å; Y509-P558 HydrophobicContact CE1-CG 3.59Å
559	N	91.8	Very high	92.2	Very high	154 Å²	154	50.8 Å²	50.8	82%	0.824	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.6	3.6	-174.7	-60.1	-23.1	0	0	0	113.3	Y557	Y557-N559 PolarHBondContact O-N 2.79Å; Y557-N559 VanDerWaalsContact O-N 3.1Å
560	V	92.2	Very high	91.6	Very high	34 Å²	34	52.9 Å²	52.9	21%	0.206	27%	0.274	C	S	.	.			trans	-102.4	126.9	-177.5	178.1	0	0	0	0	109.6	Y557 Y562 L565	Y557-V560 PolarHBondContact O-N 3.4Å; Y557-V560 VanDerWaalsContact O-N 3.14Å; V560-Y562 HydrophobicContact CB-CD2 4.34Å; V560-Y562 HydrophobicContact CB-CE2 3.93Å; V560-Y562 HydrophobicContact CG1-CD1 4.41Å; V560-Y562 HydrophobicContact CG1-CD2 4.01Å; V560-Y562 HydrophobicContact CG1-CE1 4.37Å; V560-Y562 HydrophobicContact CG1-CE2 3.91Å; V560-Y562 HydrophobicContact CG1-CG 4.27Å; V560-L565 HydrophobicContact CG1-CD1 3.94Å
561	V	93.6	Very high	91	Very high	66 Å²	66	55.4 Å²	55.4	40%	0.4	28%	0.282	S	S	.	.			trans	-93.4	100	169.8	-177.9	0	0	0	0	107.8	T563 L564 L565 M568	V561-T563 VanDerWaalsContact C-N 3.31Å; V561-T563 WeakPolarHBondContact CG1-OG1 3.36Å; V561-T563 PolarHBondContact O-N 2.95Å; V561-L564 HydrophobicContact CB-CB 4.44Å; V561-L564 HydrophobicContact CG1-CB 4.22Å; V561-L564 HydrophobicContact CG1-CD1 4.11Å; V561-L564 HydrophobicContact CG1-CG 3.99Å; V561-L564 CarbonylContact O-C 3.43Å; V561-L564 PolarHBondContact O-N 2.89Å; V561-L565 PolarHBondContact O-N 3.3Å; V561-M568 HydrophobicContact CB-SD 4.44Å
562	Y	94.1	Very high	90.7	Very high	16 Å²	16	59.3 Å²	59.3	6%	0.063	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-66.4	-31.2	-170.9	-75.6	-94.5	0	0	0	112.7	N497 K500 D501 I504 L556 Y557 V560 L564 L565	N497-Y562 VanDerWaalsContact CG-O 3.27Å; N497-Y562 PolarHBondContact ND2-O 3.29Å; K500-Y562 HydrophobicContact CB-CD1 4.35Å; K500-Y562 HydrophobicContact CB-CD2 3.78Å; K500-Y562 HydrophobicContact CB-CE2 4.32Å; K500-Y562 HydrophobicContact CB-CG 3.79Å; K500-Y562 HydrophobicContact CD-CD1 3.33Å; K500-Y562 HydrophobicContact CD-CD2 4.2Å; K500-Y562 HydrophobicContact CD-CE1 3.6Å; K500-Y562 HydrophobicContact CD-CE2 4.45Å; K500-Y562 HydrophobicContact CD-CG 3.64Å; K500-Y562 HydrophobicContact CG-CD1 4.49Å; K500-Y562 HydrophobicContact CG-CG 4.4Å; D501-Y562 WeakPolarHBondContact OD1-CB 3.28Å; D501-Y562 PolarHBondContact OD1-N 3.14Å; D501-Y562 PolarHBondContact OD2-N 2.86Å; I504-Y562 HydrophobicContact CD1-CD2 3.69Å; I504-Y562 HydrophobicContact CD1-CE2 3.54Å; L556-Y562 WeakPolarHBondContact CA-OH 3.34Å; L556-Y562 HydrophobicContact CD2-CE2 4.48Å; Y557-Y562 PolarHBondContact N-OH 3.46Å; Y557-Y562 VanDerWaalsContact N-OH 3.13Å; V560-Y562 HydrophobicContact CB-CD2 4.34Å; V560-Y562 HydrophobicContact CB-CE2 3.93Å; V560-Y562 HydrophobicContact CG1-CD1 4.41Å; V560-Y562 HydrophobicContact CG1-CD2 4.01Å; V560-Y562 HydrophobicContact CG1-CE1 4.37Å; V560-Y562 HydrophobicContact CG1-CE2 3.91Å; V560-Y562 HydrophobicContact CG1-CG 4.27Å; Y562-L564 PolarHBondContact O-N 3.34Å; Y562-L565 HydrophobicContact CD1-CD2 4.17Å; Y562-L565 WeakPolarHBondContact O-CB 3.46Å; Y562-L565 PolarHBondContact O-N 2.89Å; Y562-L565 VanDerWaalsContact O-N 3.14Å
563	T	92.4	Very high	90.1	Very high	27 Å²	27	66 Å²	66	17%	0.166	33%	0.329	C	S	.	.	G	3₁₀ helix	trans	-62.8	-20	172.3	47.8	0	0	0	0	113.7	N497 D501 V561	N497-T563 HydrophobicContact CB-CG2 4.27Å; D501-T563 WeakPolarHBondContact OD2-CB 3.4Å; D501-T563 WeakPolarHBondContact OD2-CG2 3.06Å; D501-T563 PolarHBondContact OD2-N 3.43Å; D501-T563 PolarHBondContact OD2-OG1 2.99Å; V561-T563 VanDerWaalsContact C-N 3.31Å; V561-T563 WeakPolarHBondContact CG1-OG1 3.36Å; V561-T563 PolarHBondContact O-N 2.95Å
564	L	90.1	Very high	89.1	Confident	79 Å²	79	67.7 Å²	67.7	41%	0.414	34%	0.338	S	S	.	.	G	3₁₀ helix	trans	-109.6	7.7	176.1	-60	-179.3	0	0	0	113	V561 Y562 S566 S567 M568	V561-L564 HydrophobicContact CB-CB 4.44Å; V561-L564 HydrophobicContact CG1-CB 4.22Å; V561-L564 HydrophobicContact CG1-CD1 4.11Å; V561-L564 HydrophobicContact CG1-CG 3.99Å; V561-L564 CarbonylContact O-C 3.43Å; V561-L564 PolarHBondContact O-N 2.89Å; Y562-L564 PolarHBondContact O-N 3.34Å; L564-S566 PolarHBondContact O-N 2.87Å; L564-S567 PolarHBondContact O-N 3.12Å; L564-S567 VanDerWaalsContact O-N 3.08Å; L564-M568 HydrophobicContact CB-CG 4.38Å; L564-M568 HydrophobicContact CB-SD 4.38Å; L564-M568 WeakPolarHBondContact O-CG 3.32Å; L564-M568 PolarHBondContact O-N 2.99Å
565	L	90	Very high	88.5	Confident	50 Å²	50	68.7 Å²	68.7	26%	0.262	34%	0.342	S	S	.	.	H	α-helix	trans	-54.6	-47	-170.3	-177.7	62.5	0	0	0	112.9	V560 V561 Y562 S567 M568 I569	V560-L565 HydrophobicContact CG1-CD1 3.94Å; V561-L565 PolarHBondContact O-N 3.3Å; Y562-L565 HydrophobicContact CD1-CD2 4.17Å; Y562-L565 WeakPolarHBondContact O-CB 3.46Å; Y562-L565 PolarHBondContact O-N 2.89Å; Y562-L565 VanDerWaalsContact O-N 3.14Å; L565-S567 VanDerWaalsContact C-N 3.34Å; L565-S567 PolarHBondContact O-N 2.89Å; L565-M568 WeakPolarHBondContact O-CB 3.45Å; L565-M568 PolarHBondContact O-N 3.03Å; L565-I569 HydrophobicContact CD1-CD1 3.87Å; L565-I569 HydrophobicContact CD1-CG1 4.14Å; L565-I569 HydrophobicContact CD2-CD1 4.48Å; L565-I569 HydrophobicContact CG-CD1 3.81Å; L565-I569 HydrophobicContact CG-CG1 4.42Å; L565-I569 WeakPolarHBondContact O-CG1 2.96Å; L565-I569 PolarHBondContact O-N 2.93Å
566	S	84.1	Confident	88	Confident	30 Å²	30	67.6 Å²	67.6	21%	0.21	35%	0.345	C	S	.	.	H	α-helix	trans	-61.8	-42.4	-179.9	-65.9	0	0	0	0	112.2	D388 L564 I569 E570	D388-S566 PolarHBondContact OD1-OG 2.9Å; D388-S566 VanDerWaalsContact OD2-CB 3.27Å; D388-S566 WeakPolarHBondContact OD2-CB 3.3Å; D388-S566 PolarHBondContact OD2-OG 3.35Å; L564-S566 PolarHBondContact O-N 2.87Å; S566-I569 PolarHBondContact O-N 3.5Å; S566-E570 WeakPolarHBondContact O-CB 3.46Å; S566-E570 PolarHBondContact O-N 2.94Å
567	S	81.9	Confident	87.3	Confident	22 Å²	22	72.4 Å²	72.4	15%	0.154	37%	0.368	C	S	.	.	H	α-helix	trans	-66.5	-38.2	175.2	-59.5	0	0	0	0	111.7	R392 L564 L565 K571	R392-S567 PolarHBondContact NH1-OG 3.14Å; L564-S567 PolarHBondContact O-N 3.12Å; L564-S567 VanDerWaalsContact O-N 3.08Å; L565-S567 VanDerWaalsContact C-N 3.34Å; L565-S567 PolarHBondContact O-N 2.89Å; S567-K571 VanDerWaalsContact O-CG 3.25Å; S567-K571 WeakPolarHBondContact O-CG 3.46Å; S567-K571 PolarHBondContact O-N 3.36Å
568	M	86.7	Confident	86.6	Confident	57 Å²	57	65.8 Å²	65.8	28%	0.281	34%	0.342	S	S	.	.	H	α-helix	trans	-64	-45.7	175.7	-68.3	172	64.4	0	0	112	V561 L564 L565 K571 Q572	V561-M568 HydrophobicContact CB-SD 4.44Å; L564-M568 HydrophobicContact CB-CG 4.38Å; L564-M568 HydrophobicContact CB-SD 4.38Å; L564-M568 WeakPolarHBondContact O-CG 3.32Å; L564-M568 PolarHBondContact O-N 2.99Å; L565-M568 WeakPolarHBondContact O-CB 3.45Å; L565-M568 PolarHBondContact O-N 3.03Å; M568-K571 PolarHBondContact O-N 3Å; M568-Q572 VanDerWaalsContact O-CG 3.28Å; M568-Q572 WeakPolarHBondContact O-CG 3.47Å; M568-Q572 PolarHBondContact O-N 3.35Å
569	I	87.2	Confident	86.1	Confident	89 Å²	89	63.1 Å²	63.1	46%	0.456	32%	0.324	S	S	.	.	H	α-helix	trans	-65.7	-41.3	179.2	-68.3	171.8	0	0	0	110.9	L565 S566 Q572 K573	L565-I569 HydrophobicContact CD1-CD1 3.87Å; L565-I569 HydrophobicContact CD1-CG1 4.14Å; L565-I569 HydrophobicContact CD2-CD1 4.48Å; L565-I569 HydrophobicContact CG-CD1 3.81Å; L565-I569 HydrophobicContact CG-CG1 4.42Å; L565-I569 WeakPolarHBondContact O-CG1 2.96Å; L565-I569 PolarHBondContact O-N 2.93Å; S566-I569 PolarHBondContact O-N 3.5Å; I569-Q572 PolarHBondContact O-N 2.8Å; I569-K573 WeakPolarHBondContact O-CB 3.01Å; I569-K573 PolarHBondContact O-N 3.24Å
570	E	78.7	Confident	85.5	Confident	70 Å²	70	57.2 Å²	57.2	33%	0.327	30%	0.299	S	S	.	.	H	α-helix	trans	-58.5	-50.4	175.3	-175.7	171.1	-152.4	0	0	110.7	S566 Q572 K573 D574	S566-E570 WeakPolarHBondContact O-CB 3.46Å; S566-E570 PolarHBondContact O-N 2.94Å; E570-Q572 VanDerWaalsContact C-N 3.34Å; E570-Q572 PolarHBondContact O-N 3.15Å; E570-K573 PolarHBondContact O-N 2.83Å; E570-D574 PolarHBondContact O-N 3.47Å; E570-D574 VanDerWaalsContact O-OD2 3.07Å
571	K	81.1	Confident	84.7	Confident	94 Å²	94	59.6 Å²	59.6	41%	0.409	31%	0.308	S	S	.	.	H	α-helix	trans	-56.8	-45	175.4	-71.4	-172.7	-171.4	-160.9	0	112.8	Y365 E369 S567 M568 D574 F575	Y365-K571 VanDerWaalsContact OH-CA 3.27Å; Y365-K571 WeakPolarHBondContact OH-CA 3.41Å; Y365-K571 WeakPolarHBondContact OH-CB 3.37Å; Y365-K571 WeakPolarHBondContact OH-CG 3.43Å; Y365-K571 PolarHBondContact OH-O 2.97Å; E369-K571 WeakPolarHBondContact OE1-CE 3.43Å; E369-K571 IonicContact OE1-NZ 3.64Å; E369-K571 PolarHBondContact OE1-NZ 3.43Å; S567-K571 VanDerWaalsContact O-CG 3.25Å; S567-K571 WeakPolarHBondContact O-CG 3.46Å; S567-K571 PolarHBondContact O-N 3.36Å; M568-K571 PolarHBondContact O-N 3Å; K571-D574 PolarHBondContact O-N 2.9Å; K571-F575 WeakPolarHBondContact O-CB 3.29Å; K571-F575 PolarHBondContact O-N 3.03Å
572	Q	87.8	Confident	83.7	Confident	116 Å²	116	60.8 Å²	60.8	54%	0.542	31%	0.305	S	S	.	.	H	α-helix	trans	-62.9	-45.1	177.1	-74.2	172.3	-8.5	0	0	112.1	M568 I569 E570 D574 F575 V576	M568-Q572 VanDerWaalsContact O-CG 3.28Å; M568-Q572 WeakPolarHBondContact O-CG 3.47Å; M568-Q572 PolarHBondContact O-N 3.35Å; I569-Q572 PolarHBondContact O-N 2.8Å; E570-Q572 VanDerWaalsContact C-N 3.34Å; E570-Q572 PolarHBondContact O-N 3.15Å; Q572-D574 VanDerWaalsContact C-N 3.35Å; Q572-D574 PolarHBondContact O-N 2.85Å; Q572-F575 PolarHBondContact O-N 3.31Å; Q572-V576 VanDerWaalsContact O-CG2 3.29Å; Q572-V576 WeakPolarHBondContact O-CG2 3.37Å; Q572-V576 PolarHBondContact O-N 2.84Å
573	K	84.5	Confident	82.7	Confident	140 Å²	140	63.9 Å²	63.9	61%	0.609	32%	0.322	S	S	*	.	H	α-helix	trans	-61.2	-45.1	178.9	-177.3	-175.7	172.9	-170.1	0	111.2	I569 E570 F575 V576 Q577	I569-K573 WeakPolarHBondContact O-CB 3.01Å; I569-K573 PolarHBondContact O-N 3.24Å; E570-K573 PolarHBondContact O-N 2.83Å; K573-F575 VanDerWaalsContact C-N 3.34Å; K573-V576 PolarHBondContact O-N 2.84Å; K573-Q577 WeakPolarHBondContact O-CB 3.35Å; K573-Q577 PolarHBondContact O-N 3.06Å
574	D	77.2	Confident	81.5	Confident	38 Å²	38	65 Å²	65	20%	0.203	33%	0.331	C	S	.	.	H	α-helix	trans	-65	-40.2	179.3	-63.6	-34.9	0	0	0	112	Y365 R372 E570 K571 Q572 Q577 L578	Y365-D574 HydrophobicContact CE2-CB 4.04Å; R372-D574 IonicContact CZ-OD2 3.25Å; R372-D574 IonicContact NH1-OD2 2.69Å; R372-D574 PolarHBondContact NH1-OD2 3.4Å; R372-D574 IonicContact NH2-OD1 3.62Å; R372-D574 IonicContact NH2-OD2 3.4Å; R372-D574 PolarHBondContact NH2-OD2 3.25Å; E570-D574 PolarHBondContact O-N 3.47Å; E570-D574 VanDerWaalsContact O-OD2 3.07Å; K571-D574 PolarHBondContact O-N 2.9Å; Q572-D574 VanDerWaalsContact C-N 3.35Å; Q572-D574 PolarHBondContact O-N 2.85Å; D574-Q577 PolarHBondContact O-N 3.24Å; D574-L578 WeakPolarHBondContact O-CB 3.45Å; D574-L578 PolarHBondContact O-N 3.4Å
575	F	84.6	Confident	80.1	Confident	25 Å²	25	66.6 Å²	66.6	11%	0.11	35%	0.345	C	S	.	.	H	α-helix	trans	-62.4	-46.8	173.9	-176.3	-81.7	0	0	0	111.6	W358 V361 K362 Y365 K571 Q572 K573 Q577 L578 L579	W358-F575 HydrophobicContact CD2-CZ 4.05Å; W358-F575 AromaticContact CE3-CE1 3.75Å; W358-F575 HydrophobicContact CE3-CE1 3.75Å; W358-F575 AromaticContact CE3-CZ 3.65Å; W358-F575 HydrophobicContact CE3-CZ 3.65Å; W358-F575 HydrophobicContact CH2-CD1 4.48Å; W358-F575 AromaticContact CH2-CE1 3.58Å; W358-F575 HydrophobicContact CH2-CE1 3.58Å; W358-F575 AromaticContact CH2-CZ 3.59Å; W358-F575 HydrophobicContact CH2-CZ 3.59Å; W358-F575 HydrophobicContact CZ2-CE1 4.43Å; W358-F575 AromaticContact CZ2-CZ 3.99Å; W358-F575 HydrophobicContact CZ2-CZ 3.99Å; W358-F575 HydrophobicContact CZ3-CD1 4.3Å; W358-F575 AromaticContact CZ3-CE1 3.19Å; W358-F575 HydrophobicContact CZ3-CE1 3.19Å; W358-F575 AromaticContact CZ3-CZ 3.43Å; W358-F575 HydrophobicContact CZ3-CZ 3.43Å; W358-F575 VanDerWaalsContact CZ3-CZ 3.43Å; V361-F575 HydrophobicContact CB-CZ 4.49Å; V361-F575 HydrophobicContact CG1-CD2 4.32Å; V361-F575 HydrophobicContact CG1-CE1 4.23Å; V361-F575 HydrophobicContact CG1-CE2 3.85Å; V361-F575 HydrophobicContact CG1-CZ 3.79Å; K362-F575 HydrophobicContact CB-CE2 4.13Å; Y365-F575 HydrophobicContact CD1-CD2 4.22Å; Y365-F575 HydrophobicContact CD2-CB 4.06Å; Y365-F575 HydrophobicContact CD2-CD2 4.12Å; Y365-F575 HydrophobicContact CE2-CB 4.17Å; Y365-F575 AromaticContact CG-CD2 3.79Å; Y365-F575 HydrophobicContact CG-CD2 3.79Å; K571-F575 WeakPolarHBondContact O-CB 3.29Å; K571-F575 PolarHBondContact O-N 3.03Å; Q572-F575 PolarHBondContact O-N 3.31Å; K573-F575 VanDerWaalsContact C-N 3.34Å; F575-Q577 VanDerWaalsContact C-N 3.32Å; F575-Q577 PolarHBondContact O-N 3.26Å; F575-L578 PolarHBondContact O-N 3.29Å; F575-L579 WeakPolarHBondContact O-CB 3.18Å; F575-L579 PolarHBondContact O-N 3.13Å
576	V	86.3	Confident	78.6	Confident	94 Å²	94	72.1 Å²	72.1	57%	0.57	37%	0.366	S	S	*	.	H	α-helix	trans	-64.3	-37.9	178	170.8	0	0	0	0	111.3	Q572 K573 L579 G580	Q572-V576 VanDerWaalsContact O-CG2 3.29Å; Q572-V576 WeakPolarHBondContact O-CG2 3.37Å; Q572-V576 PolarHBondContact O-N 2.84Å; K573-V576 PolarHBondContact O-N 2.84Å; V576-L579 PolarHBondContact O-N 3.32Å; V576-G580 PolarHBondContact O-N 2.87Å
577	Q	80.4	Confident	77.4	Confident	104 Å²	104	73.7 Å²	73.7	49%	0.486	37%	0.371	S	S	.	.	H	α-helix	trans	-64.5	-45.5	175.3	-175.4	178.6	-27.9	0	0	111.2	K573 D574 F575 L579 G580 E581	K573-Q577 WeakPolarHBondContact O-CB 3.35Å; K573-Q577 PolarHBondContact O-N 3.06Å; D574-Q577 PolarHBondContact O-N 3.24Å; F575-Q577 VanDerWaalsContact C-N 3.32Å; F575-Q577 PolarHBondContact O-N 3.26Å; Q577-L579 VanDerWaalsContact C-N 3.3Å; Q577-L579 PolarHBondContact O-N 3.31Å; Q577-G580 CarbonylContact O-C 3.55Å; Q577-G580 WeakPolarHBondContact O-CA 3.43Å; Q577-G580 PolarHBondContact O-N 2.83Å; Q577-G580 VanDerWaalsContact O-N 3.13Å; Q577-E581 PolarHBondContact NE2-OE1 3.25Å; Q577-E581 VanDerWaalsContact NE2-OE1 3.16Å; Q577-E581 WeakPolarHBondContact O-CG 3.34Å; Q577-E581 PolarHBondContact O-N 3.36Å
578	L	80.8	Confident	76.5	Confident	4 Å²	4	76.8 Å²	76.8	2%	0.021	39%	0.385	C	S	.	.	H	α-helix	trans	-61.1	-40.8	175.8	179.4	58.4	0	0	0	112	V361 E364 R368 D574 F575 E581 R582	V361-L578 HydrophobicContact CG1-CB 4.39Å; V361-L578 HydrophobicContact CG1-CD2 3.94Å; V361-L578 HydrophobicContact CG1-CG 3.96Å; E364-L578 HydrophobicContact CB-CD2 4.12Å; E364-L578 HydrophobicContact CG-CD1 4.27Å; E364-L578 HydrophobicContact CG-CD2 3.73Å; R368-L578 VanDerWaalsContact CZ-CD1 3.45Å; D574-L578 WeakPolarHBondContact O-CB 3.45Å; D574-L578 PolarHBondContact O-N 3.4Å; F575-L578 PolarHBondContact O-N 3.29Å; L578-E581 PolarHBondContact O-N 3.39Å; L578-R582 WeakPolarHBondContact O-CG 3.42Å; L578-R582 PolarHBondContact O-N 3.08Å
579	L	83.4	Confident	75.5	Confident	17 Å²	17	79 Å²	79	9%	0.089	40%	0.404	C	S	.	.	H	α-helix	trans	-61.7	-45.3	173.5	-177.9	70.4	0	0	0	111	I353 L357 V361 F575 V576 Q577 R582 L583	I353-L579 HydrophobicContact CD1-CD2 3.38Å; I353-L579 HydrophobicContact CG1-CD1 4.5Å; I353-L579 HydrophobicContact CG1-CD2 3.93Å; I353-L579 HydrophobicContact CG2-CD1 3.84Å; L357-L579 HydrophobicContact CD2-CD1 4.08Å; L357-L579 HydrophobicContact CG-CD1 4.12Å; V361-L579 HydrophobicContact CG1-CB 4.32Å; V361-L579 HydrophobicContact CG2-CD1 4.06Å; F575-L579 WeakPolarHBondContact O-CB 3.18Å; F575-L579 PolarHBondContact O-N 3.13Å; V576-L579 PolarHBondContact O-N 3.32Å; Q577-L579 VanDerWaalsContact C-N 3.3Å; Q577-L579 PolarHBondContact O-N 3.31Å; L579-R582 PolarHBondContact O-N 3.5Å; L579-L583 HydrophobicContact CG-CD1 4.12Å; L579-L583 WeakPolarHBondContact O-CG 3.49Å; L579-L583 PolarHBondContact O-N 3.48Å
580	G	78.5	Confident	74.6	Confident	30 Å²	30	80.8 Å²	80.8	31%	0.309	41%	0.414	S	S	.	.	H	α-helix	trans	-58.5	-46.8	175.3	0	0	0	0	0	112.2	V576 Q577 R582 L583 S584	V576-G580 PolarHBondContact O-N 2.87Å; Q577-G580 CarbonylContact O-C 3.55Å; Q577-G580 WeakPolarHBondContact O-CA 3.43Å; Q577-G580 PolarHBondContact O-N 2.83Å; Q577-G580 VanDerWaalsContact O-N 3.13Å; G580-R582 PolarHBondContact O-N 3.26Å; G580-L583 PolarHBondContact O-N 3.25Å; G580-S584 VanDerWaalsContact O-CB 3.27Å; G580-S584 WeakPolarHBondContact O-CB 3.31Å; G580-S584 PolarHBondContact O-N 3.12Å; G580-S584 PolarHBondContact O-OG 3.47Å; G580-S584 VanDerWaalsContact O-OG 3.11Å
581	E	75	Confident	74.2	Confident	83 Å²	83	80.4 Å²	80.4	39%	0.388	42%	0.417	S	S	.	.	H	α-helix	trans	-57.9	-45.4	175.1	-73.1	168.1	-168.1	0	0	111.5	Q577 L578 S584 T585	Q577-E581 PolarHBondContact NE2-OE1 3.25Å; Q577-E581 VanDerWaalsContact NE2-OE1 3.16Å; Q577-E581 WeakPolarHBondContact O-CG 3.34Å; Q577-E581 PolarHBondContact O-N 3.36Å; L578-E581 PolarHBondContact O-N 3.39Å; E581-S584 CarbonylContact O-C 3.48Å; E581-S584 PolarHBondContact O-N 3.35Å; E581-T585 WeakPolarHBondContact O-CG2 3.32Å; E581-T585 PolarHBondContact O-N 2.94Å
582	R	73.6	Confident	73.8	Confident	92 Å²	92	82.5 Å²	82.5	35%	0.347	44%	0.437	S	S	.	.	H	α-helix	trans	-66.4	-38.3	178	-70.6	-64.3	-173.4	124.7	0.6	112.5	L357 V361 E364 L578 L579 G580 T585	L357-R582 HydrophobicContact CD1-CB 3.99Å; V361-R582 HydrophobicContact CG2-CB 4.23Å; V361-R582 HydrophobicContact CG2-CG 3.87Å; E364-R582 IonicContact OE2-NH2 2.66Å; L578-R582 WeakPolarHBondContact O-CG 3.42Å; L578-R582 PolarHBondContact O-N 3.08Å; L579-R582 PolarHBondContact O-N 3.5Å; G580-R582 PolarHBondContact O-N 3.26Å; R582-T585 PolarHBondContact O-N 2.82Å; R582-T585 PolarHBondContact O-OG1 2.96Å
583	L	72.2	Confident	73.2	Confident	80 Å²	80	81.4 Å²	81.4	42%	0.419	43%	0.429	S	S	.	.	H	α-helix	trans	-67.9	-38.2	173.5	-69.6	171.2	0	0	0	111.3	L357 L579 G580 T585 K586	L357-L583 HydrophobicContact CD2-CD2 3.48Å; L357-L583 VanDerWaalsContact CD2-CD2 3.48Å; L357-L583 HydrophobicContact CD2-CG 4.09Å; L579-L583 HydrophobicContact CG-CD1 4.12Å; L579-L583 WeakPolarHBondContact O-CG 3.49Å; L579-L583 PolarHBondContact O-N 3.48Å; G580-L583 PolarHBondContact O-N 3.25Å; L583-T585 VanDerWaalsContact C-N 3.34Å; L583-T585 PolarHBondContact O-N 2.91Å; L583-K586 PolarHBondContact O-N 3.45Å
584	S	68.4	Low	72.7	Confident	50 Å²	50	78.7 Å²	78.7	35%	0.35	43%	0.432	S	S	.	.	H	α-helix	trans	-73	-15.5	175.1	-69.2	0	0	0	0	114	G580 E581 K586 H587	G580-S584 VanDerWaalsContact O-CB 3.27Å; G580-S584 WeakPolarHBondContact O-CB 3.31Å; G580-S584 PolarHBondContact O-N 3.12Å; G580-S584 PolarHBondContact O-OG 3.47Å; G580-S584 VanDerWaalsContact O-OG 3.11Å; E581-S584 CarbonylContact O-C 3.48Å; E581-S584 PolarHBondContact O-N 3.35Å; S584-K586 PolarHBondContact O-N 2.95Å; S584-H587 CarbonylContact C-O 3.49Å; S584-H587 CarbonylContact O-C 3.6Å; S584-H587 WeakPolarHBondContact O-CA 3.42Å; S584-H587 PolarHBondContact O-N 3.35Å
585	T	59.8	Low	72.4	Confident	114 Å²	114	79.8 Å²	79.8	70%	0.699	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-19.2	171.7	58.4	0	0	0	0	113	E581 R582 L583	E581-T585 WeakPolarHBondContact O-CG2 3.32Å; E581-T585 PolarHBondContact O-N 2.94Å; R582-T585 PolarHBondContact O-N 2.82Å; R582-T585 PolarHBondContact O-OG1 2.96Å; L583-T585 VanDerWaalsContact C-N 3.34Å; L583-T585 PolarHBondContact O-N 2.91Å
586	K	58.1	Low	71.6	Confident	165 Å²	165	80.7 Å²	80.7	72%	0.717	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.9	-24.4	170.8	-63.3	-176.7	179.8	177.5	0	113.1	L583 S584	L583-K586 PolarHBondContact O-N 3.45Å; S584-K586 PolarHBondContact O-N 2.95Å
587	H	60.2	Low	70.8	Confident	64 Å²	64	81.1 Å²	81.1	30%	0.296	45%	0.446	S	S	.	.	S	Bend	trans	-147.7	107.6	-178	-58.6	-62.9	0	0	0	111.1	S584 P589 A617	S584-H587 CarbonylContact C-O 3.49Å; S584-H587 CarbonylContact O-C 3.6Å; S584-H587 WeakPolarHBondContact O-CA 3.42Å; S584-H587 PolarHBondContact O-N 3.35Å; H587-P589 VanDerWaalsContact O-CD 3.25Å; H587-P589 WeakPolarHBondContact O-CD 3.34Å; H587-P589 VanDerWaalsContact O-N 3.13Å; H587-A617 PolarHBondContact CE1-O 2.89Å; H587-A617 PolarHBondContact ND1-O 3.37Å; H587-A617 PolarHBondContact NE2-O 3.28Å
588	D	62.4	Low	70.2	Confident	87 Å²	87	79.9 Å²	79.9	47%	0.465	45%	0.454	S	S	.	.			trans	-62.1	116.6	172.7	174.2	15.3	0	0	0	109.2	N590 T591	D588-N590 PolarHBondContact O-N 2.98Å; D588-N590 VanDerWaalsContact O-N 3.09Å; D588-N590 WeakPolarHBondContact OD1-CB 3.5Å; D588-N590 PolarHBondContact OD1-N 3.25Å; D588-N590 PolarHBondContact OD1-ND2 3.45Å; D588-N590 VanDerWaalsContact OD1-ND2 3.1Å; D588-T591 WeakPolarHBondContact CB-OG1 3.45Å; D588-T591 VanDerWaalsContact O-CB 3.31Å; D588-T591 WeakPolarHBondContact O-CB 3.26Å; D588-T591 PolarHBondContact O-N 3.01Å; D588-T591 PolarHBondContact O-OG1 3.25Å
589	P	64.5	Low	69.3	Low	102 Å²	102	84.6 Å²	84.6	66%	0.662	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-16.7	179.8	26.2	-34.9	0	0	0	112.8	H587 T591	H587-P589 VanDerWaalsContact O-CD 3.25Å; H587-P589 WeakPolarHBondContact O-CD 3.34Å; H587-P589 VanDerWaalsContact O-N 3.13Å; P589-T591 VanDerWaalsContact C-N 3.34Å
590	N	68.5	Low	68.1	Low	128 Å²	128	87.2 Å²	87.2	68%	0.684	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.3	4.1	176.3	-52.5	-66.1	0	0	0	113.3	D588 V592	D588-N590 PolarHBondContact O-N 2.98Å; D588-N590 VanDerWaalsContact O-N 3.09Å; D588-N590 WeakPolarHBondContact OD1-CB 3.5Å; D588-N590 PolarHBondContact OD1-N 3.25Å; D588-N590 PolarHBondContact OD1-ND2 3.45Å; D588-N590 VanDerWaalsContact OD1-ND2 3.1Å; N590-V592 PolarHBondContact O-N 2.86Å; N590-V592 VanDerWaalsContact O-N 3.08Å
591	T	70.1	Confident	67.3	Low	61 Å²	61	88.5 Å²	88.5	37%	0.374	52%	0.522	S	S	.	.			trans	-61.9	114	175.8	-54.5	0	0	0	0	109.6	D588 P589 Y593	D588-T591 WeakPolarHBondContact CB-OG1 3.45Å; D588-T591 VanDerWaalsContact O-CB 3.31Å; D588-T591 WeakPolarHBondContact O-CB 3.26Å; D588-T591 PolarHBondContact O-N 3.01Å; D588-T591 PolarHBondContact O-OG1 3.25Å; P589-T591 VanDerWaalsContact C-N 3.34Å; T591-Y593 HydrophobicContact CG2-CD2 4.37Å; T591-Y593 HydrophobicContact CG2-CE1 4.07Å; T591-Y593 HydrophobicContact CG2-CE2 3.9Å; T591-Y593 WeakPolarHBondContact O-CD2 3.36Å; T591-Y593 WeakPolarHBondContact O-CE2 3.39Å; T591-Y593 PolarHBondContact O-N 3.27Å
592	V	74.2	Confident	66.7	Low	139 Å²	139	92.6 Å²	92.6	84%	0.842	55%	0.547	S	S	*	.			trans	-84.1	107.9	174.5	-177.2	0	0	0	0	108.4	N590	N590-V592 PolarHBondContact O-N 2.86Å; N590-V592 VanDerWaalsContact O-N 3.08Å
593	Y	74	Confident	66.3	Low	92 Å²	92	90.5 Å²	90.5	36%	0.361	54%	0.542	S	S	.	.	P	Polyproline II helix	trans	-80.3	142	172.9	-61.6	-88.2	0	0	0	110.1	T591 A613 G614 A617	T591-Y593 HydrophobicContact CG2-CD2 4.37Å; T591-Y593 HydrophobicContact CG2-CE1 4.07Å; T591-Y593 HydrophobicContact CG2-CE2 3.9Å; T591-Y593 WeakPolarHBondContact O-CD2 3.36Å; T591-Y593 WeakPolarHBondContact O-CE2 3.39Å; T591-Y593 PolarHBondContact O-N 3.27Å; Y593-A613 HydrophobicContact CD1-CB 3.68Å; Y593-A613 HydrophobicContact CE1-CB 4.5Å; Y593-A613 HydrophobicContact CG-CB 4.15Å; Y593-G614 VanDerWaalsContact CE2-CA 3.48Å; Y593-A617 HydrophobicContact CE1-CB 4.36Å; Y593-A617 VanDerWaalsContact OH-CB 3.24Å; Y593-A617 WeakPolarHBondContact OH-CB 3.44Å
594	A	74.1	Confident	66	Low	83 Å²	83	96 Å²	96	69%	0.686	56%	0.563	S	S	*	*	P	Polyproline II helix	trans	-60.8	141.6	172.9	0	0	0	0	0	110.5
595	S	71.1	Confident	65.9	Low	62 Å²	62	98.8 Å²	98.8	43%	0.434	57%	0.573	S	S	.	*	P	Polyproline II helix	trans	-62.5	135.7	174.4	178	0	0	0	0	109.8	F597 A598	S595-F597 PolarHBondContact O-N 2.65Å; S595-F597 WeakPolarHBondContact OG-CD2 3.31Å; S595-F597 PolarHBondContact OG-N 3.17Å; S595-A598 WeakPolarHBondContact O-CB 3.34Å; S595-A598 PolarHBondContact O-N 2.98Å
596	P	67.7	Low	66.2	Low	43 Å²	43	97.9 Å²	97.9	28%	0.279	57%	0.569	S	S	.	*	G	3₁₀ helix	trans	-53.7	-27.1	169.7	-24	33.3	0	0	0	112.5	L603 L607	P596-L603 HydrophobicContact CB-CD1 3.63Å; P596-L603 WeakPolarHBondContact O-CD1 3.33Å; P596-L607 HydrophobicContact CB-CD1 4.35Å; P596-L607 HydrophobicContact CG-CD1 4.12Å
597	F	70.4	Confident	66.7	Low	103 Å²	103	92 Å²	92	45%	0.452	55%	0.545	S	S	.	.	G	3₁₀ helix	trans	-81.2	-8.7	178.6	-54	-74.8	0	0	0	114.2	S595 S599 G600 L603 L605 L607	S595-F597 PolarHBondContact O-N 2.65Å; S595-F597 WeakPolarHBondContact OG-CD2 3.31Å; S595-F597 PolarHBondContact OG-N 3.17Å; F597-S599 PolarHBondContact O-N 3.35Å; F597-G600 PolarHBondContact O-N 3.49Å; F597-L603 HydrophobicContact CD1-CB 4.47Å; F597-L603 HydrophobicContact CD1-CD1 4.23Å; F597-L603 HydrophobicContact CE1-CB 4.08Å; F597-L603 HydrophobicContact CE1-CD1 4.39Å; F597-L605 HydrophobicContact CZ-CD2 4.24Å; F597-L607 HydrophobicContact CE2-CD1 4.38Å; F597-L607 HydrophobicContact CZ-CD1 4.2Å
598	A	66.3	Low	67.2	Low	79 Å²	79	91.7 Å²	91.7	65%	0.653	55%	0.551	S	S	*	*	G	3₁₀ helix	trans	-63.4	-23.5	-178.5	0	0	0	0	0	112.7	S595 G600	S595-A598 WeakPolarHBondContact O-CB 3.34Å; S595-A598 PolarHBondContact O-N 2.98Å; A598-G600 VanDerWaalsContact C-N 3.31Å; A598-G600 PolarHBondContact O-N 2.8Å
599	S	62.3	Low	67.6	Low	103 Å²	103	91.8 Å²	91.8	72%	0.72	55%	0.554	S	S	*	*	G	3₁₀ helix	trans	-81.8	-1.4	-177.7	-39.2	0	0	0	0	114.4	F597 S601	F597-S599 PolarHBondContact O-N 3.35Å; S599-S601 PolarHBondContact O-N 2.88Å
600	G	59.6	Low	67.9	Low	71 Å²	71	92.5 Å²	92.5	73%	0.732	55%	0.552	S	S	*	*			trans	66.9	11.7	-177	0	0	0	0	0	114.9	F597 A598	F597-G600 PolarHBondContact O-N 3.49Å; A598-G600 VanDerWaalsContact C-N 3.31Å; A598-G600 PolarHBondContact O-N 2.8Å
601	S	61.4	Low	68	Low	57 Å²	57	91 Å²	91	40%	0.399	54%	0.541	S	S	.	.			trans	-79.8	134.4	177.8	51	0	0	0	0	111.6	S599 L603	S599-S601 PolarHBondContact O-N 2.88Å; S601-L603 PolarHBondContact O-N 3.46Å
602	D	63	Low	68	Low	170 Å²	170	91.4 Å²	91.4	91%	0.909	54%	0.54	S	S	*	.			trans	-64.1	75.5	170.5	-73.3	-30.3	0	0	0	111.4	K604	D602-K604 PolarHBondContact O-N 3.41Å
603	L	63.6	Low	67.8	Low	48 Å²	48	87 Å²	87	25%	0.251	52%	0.518	S	S	.	.			trans	-73	113.8	172.6	-78.3	154.5	0	0	0	109	P596 F597 S601 L605 L607	P596-L603 HydrophobicContact CB-CD1 3.63Å; P596-L603 WeakPolarHBondContact O-CD1 3.33Å; F597-L603 HydrophobicContact CD1-CB 4.47Å; F597-L603 HydrophobicContact CD1-CD1 4.23Å; F597-L603 HydrophobicContact CE1-CB 4.08Å; F597-L603 HydrophobicContact CE1-CD1 4.39Å; S601-L603 PolarHBondContact O-N 3.46Å; L603-L605 PolarHBondContact O-N 2.94Å; L603-L607 HydrophobicContact CB-CD2 4.19Å; L603-L607 HydrophobicContact CD1-CD2 4.36Å; L603-L607 HydrophobicContact CD2-CD2 3.81Å; L603-L607 HydrophobicContact CG-CD2 4.35Å
604	K	66.8	Low	67.6	Low	195 Å²	195	83.4 Å²	83.4	85%	0.848	51%	0.509	S	S	*	.	P	Polyproline II helix	trans	-65.7	126.7	169.5	-73	-174.4	177	-177.1	0	109.7	D602	D602-K604 PolarHBondContact O-N 3.41Å
605	L	65	Low	67.4	Low	109 Å²	109	82.5 Å²	82.5	57%	0.571	49%	0.492	S	S	*	.	S	Bend	trans	-84	147.5	171.8	-74.2	165.7	0	0	0	110.2	F597 L603 L607	F597-L605 HydrophobicContact CZ-CD2 4.24Å; L603-L605 PolarHBondContact O-N 2.94Å; L605-L607 HydrophobicContact CD2-CG 4.19Å
606	P	67.4	Low	66.8	Low	95 Å²	95	85.8 Å²	85.8	62%	0.617	50%	0.501	S	S	*	.	S	Bend	cis	-79.7	145.4	1.4	31.3	-33.8	0	0	0	113.7
607	L	69	Low	66.3	Low	40 Å²	40	84.9 Å²	84.9	21%	0.209	50%	0.497	C	S	.	.	P	Polyproline II helix	trans	-67.5	137.4	172.3	-69.9	169.6	0	0	0	110.1	P596 F597 L603 L605 Q611	P596-L607 HydrophobicContact CB-CD1 4.35Å; P596-L607 HydrophobicContact CG-CD1 4.12Å; F597-L607 HydrophobicContact CE2-CD1 4.38Å; F597-L607 HydrophobicContact CZ-CD1 4.2Å; L603-L607 HydrophobicContact CB-CD2 4.19Å; L603-L607 HydrophobicContact CD1-CD2 4.36Å; L603-L607 HydrophobicContact CD2-CD2 3.81Å; L603-L607 HydrophobicContact CG-CD2 4.35Å; L605-L607 HydrophobicContact CD2-CG 4.19Å; L607-Q611 HydrophobicContact CD2-CB 4.3Å
608	S	70.5	Confident	65.7	Low	59 Å²	59	83.5 Å²	83.5	41%	0.413	50%	0.496	S	S	.	.	P	Polyproline II helix	trans	-66.2	146.7	167.1	68.2	0	0	0	0	110.4	N610 Q611	S608-N610 PolarHBondContact O-N 2.96Å; S608-Q611 WeakPolarHBondContact O-CB 3.35Å; S608-Q611 PolarHBondContact O-N 3.27Å; S608-Q611 VanDerWaalsContact OG-CD 3.23Å; S608-Q611 VanDerWaalsContact OG-CG 3.28Å; S608-Q611 WeakPolarHBondContact OG-CG 3.3Å; S608-Q611 PolarHBondContact OG-OE1 3.03Å
609	V	70.3	Confident	65.1	Low	89 Å²	89	90.5 Å²	90.5	54%	0.539	51%	0.506	S	S	.	.	G	3₁₀ helix	trans	-52.3	-34.8	-179.7	176.7	0	0	0	0	111.9	Q611 I612 I615	V609-Q611 VanDerWaalsContact C-N 3.28Å; V609-Q611 PolarHBondContact O-N 3.16Å; V609-I612 PolarHBondContact O-N 3.29Å; V609-I615 HydrophobicContact CG1-CB 4.35Å; V609-I615 HydrophobicContact CG1-CD1 3.85Å; V609-I615 HydrophobicContact CG1-CG2 3.54Å
610	N	70.6	Confident	64.4	Low	117 Å²	117	89.9 Å²	89.9	63%	0.626	50%	0.498	S	S	*	.	G	3₁₀ helix	trans	-70.8	-18.6	179.5	-63.9	-23	0	0	0	113.8	S608 I612 Q616	S608-N610 PolarHBondContact O-N 2.96Å; N610-I612 VanDerWaalsContact C-N 3.29Å; N610-Q616 PolarHBondContact O-NE2 3.48Å
611	Q	69.7	Low	63.6	Low	96 Å²	96	95.7 Å²	95.7	45%	0.449	50%	0.497	S	S	.	.	G	3₁₀ helix	trans	-82.3	-6.6	177.8	-72.8	165.7	-51.3	0	0	113	L607 S608 V609	L607-Q611 HydrophobicContact CD2-CB 4.3Å; S608-Q611 WeakPolarHBondContact O-CB 3.35Å; S608-Q611 PolarHBondContact O-N 3.27Å; S608-Q611 VanDerWaalsContact OG-CD 3.23Å; S608-Q611 VanDerWaalsContact OG-CG 3.28Å; S608-Q611 WeakPolarHBondContact OG-CG 3.3Å; S608-Q611 PolarHBondContact OG-OE1 3.03Å; V609-Q611 VanDerWaalsContact C-N 3.28Å; V609-Q611 PolarHBondContact O-N 3.16Å
612	I	71.4	Confident	62.3	Low	70 Å²	70	96.8 Å²	96.8	36%	0.359	50%	0.504	S	S	.	.	S	Bend	trans	-94.3	105.1	178.5	-56.2	172.7	0	0	0	108	V609 N610 G614 I615 Q616	V609-I612 PolarHBondContact O-N 3.29Å; N610-I612 VanDerWaalsContact C-N 3.29Å; I612-G614 PolarHBondContact O-N 3.45Å; I612-G614 VanDerWaalsContact O-N 3.07Å; I612-I615 HydrophobicContact CB-CB 4.41Å; I612-I615 HydrophobicContact CB-CD1 3.74Å; I612-I615 HydrophobicContact CB-CG1 3.92Å; I612-I615 HydrophobicContact CD1-CD1 3.67Å; I612-I615 HydrophobicContact CG1-CD1 4.24Å; I612-I615 HydrophobicContact CG2-CD1 3.91Å; I612-I615 HydrophobicContact CG2-CG1 3.8Å; I612-I615 PolarHBondContact O-N 3.15Å; I612-Q616 PolarHBondContact O-N 3.3Å
613	A	70.2	Confident	61.1	Low	46 Å²	46	92.9 Å²	92.9	38%	0.38	49%	0.486	S	S	.	.	H	α-helix	trans	-51.9	-36.6	-172.7	0	0	0	0	0	114.1	Y593 I615 Q616 A617	Y593-A613 HydrophobicContact CD1-CB 3.68Å; Y593-A613 HydrophobicContact CE1-CB 4.5Å; Y593-A613 HydrophobicContact CG-CB 4.15Å; A613-I615 VanDerWaalsContact C-N 3.32Å; A613-I615 PolarHBondContact O-N 3.02Å; A613-Q616 PolarHBondContact O-N 3.33Å; A613-A617 PolarHBondContact O-N 2.91Å
614	G	68.8	Low	59.9	Low	16 Å²	16	95 Å²	95	17%	0.165	50%	0.5	C	S	.	.	H	α-helix	trans	-67.9	-26.4	177.4	0	0	0	0	0	114.7	Y593 I612 V618	Y593-G614 VanDerWaalsContact CE2-CA 3.48Å; I612-G614 PolarHBondContact O-N 3.45Å; I612-G614 VanDerWaalsContact O-N 3.07Å; G614-V618 WeakPolarHBondContact O-CG2 3.48Å; G614-V618 PolarHBondContact O-N 2.81Å
615	I	69.6	Low	58.3	Low	65 Å²	65	89.8 Å²	89.8	33%	0.333	49%	0.489	S	S	.	.	H	α-helix	trans	-79.9	-30	179.4	-56.3	179.4	0	0	0	111.2	V609 I612 A613 A617 V618	V609-I615 HydrophobicContact CG1-CB 4.35Å; V609-I615 HydrophobicContact CG1-CD1 3.85Å; V609-I615 HydrophobicContact CG1-CG2 3.54Å; I612-I615 HydrophobicContact CB-CB 4.41Å; I612-I615 HydrophobicContact CB-CD1 3.74Å; I612-I615 HydrophobicContact CB-CG1 3.92Å; I612-I615 HydrophobicContact CD1-CD1 3.67Å; I612-I615 HydrophobicContact CG1-CD1 4.24Å; I612-I615 HydrophobicContact CG2-CD1 3.91Å; I612-I615 HydrophobicContact CG2-CG1 3.8Å; I612-I615 PolarHBondContact O-N 3.15Å; A613-I615 VanDerWaalsContact C-N 3.32Å; A613-I615 PolarHBondContact O-N 3.02Å; I615-A617 VanDerWaalsContact C-N 3.3Å; I615-V618 CarbonylContact O-C 3.4Å
616	Q	60.1	Low	56.9	Low	131 Å²	131	88.4 Å²	88.4	61%	0.612	49%	0.493	S	S	*	.	H	α-helix	trans	-66.9	-36	173.2	-65.5	-172.4	-7.9	0	0	111.9	N610 I612 A613	N610-Q616 PolarHBondContact O-NE2 3.48Å; I612-Q616 PolarHBondContact O-N 3.3Å; A613-Q616 PolarHBondContact O-N 3.33Å
617	A	57	Low	55.3	Low	24 Å²	24	87 Å²	87	20%	0.198	48%	0.484	C	S	.	.	H	α-helix	trans	-66.7	-53.8	179.3	0	0	0	0	0	110.1	H587 Y593 A613 I615 R619	H587-A617 PolarHBondContact CE1-O 2.89Å; H587-A617 PolarHBondContact ND1-O 3.37Å; H587-A617 PolarHBondContact NE2-O 3.28Å; Y593-A617 HydrophobicContact CE1-CB 4.36Å; Y593-A617 VanDerWaalsContact OH-CB 3.24Å; Y593-A617 WeakPolarHBondContact OH-CB 3.44Å; A613-A617 PolarHBondContact O-N 2.91Å; I615-A617 VanDerWaalsContact C-N 3.3Å; A617-R619 VanDerWaalsContact C-N 3.29Å; A617-R619 PolarHBondContact O-N 2.86Å
618	V	57.9	Low	53.5	Low	73 Å²	73	90.7 Å²	90.7	44%	0.442	51%	0.505	S	S	.	.	S	Bend	trans	-66.9	93.4	170.8	-172.4	0	0	0	0	106.8	G614 I615 V620	G614-V618 WeakPolarHBondContact O-CG2 3.48Å; G614-V618 PolarHBondContact O-N 2.81Å; I615-V618 CarbonylContact O-C 3.4Å; V618-V620 HydrophobicContact CB-CG2 4.24Å; V618-V620 HydrophobicContact CG1-CG2 3.55Å; V618-V620 PolarHBondContact O-N 2.98Å
619	R	53	Low	51.6	Low	227 Å²	227	94.4 Å²	94.4	86%	0.857	52%	0.52	S	S	*	.			trans	-62.8	68.1	166.6	-70.5	-175	-177.7	176.6	0.9	108.5	A617 R621	A617-R619 VanDerWaalsContact C-N 3.29Å; A617-R619 PolarHBondContact O-N 2.86Å; R619-R621 PolarHBondContact O-N 3.28Å
620	V	47.6	Very low	49.9	Very low	90 Å²	90	98.3 Å²	98.3	55%	0.545	54%	0.538	S	S	.	.			trans	-56.2	97.1	150.9	-173.1	0	0	0	0	100.7	V618 P622	V618-V620 HydrophobicContact CB-CG2 4.24Å; V618-V620 HydrophobicContact CG1-CG2 3.55Å; V618-V620 PolarHBondContact O-N 2.98Å; V620-P622 WeakPolarHBondContact O-CD 3.47Å
621	R	42.8	Very low	48.2	Very low	192 Å²	192	96.1 Å²	96.1	73%	0.725	54%	0.536	S	S	*	.			trans	-42.8	125.4	157.2	-85.2	-177.1	177.2	168.8	-0.6	103	R619 T623	R619-R621 PolarHBondContact O-N 3.28Å; R621-T623 PolarHBondContact O-N 3.37Å
622	P	34	Very low	46.7	Very low	81 Å²	81	97 Å²	97	53%	0.526	55%	0.548	S	S	.	.			trans	-58.1	88.5	172.8	19	-27.1	0	0	0	106.7	V620 V624 S625	V620-P622 WeakPolarHBondContact O-CD 3.47Å; P622-V624 HydrophobicContact CB-CB 4.42Å; P622-V624 HydrophobicContact CB-CG2 3.2Å; P622-V624 PolarHBondContact O-N 3.23Å; P622-S625 PolarHBondContact O-N 2.94Å
623	T	38	Very low	45.5	Very low	87 Å²	87	99.9 Å²	99.9	53%	0.534	56%	0.564	S	S	.	*	G	3₁₀ helix	trans	-67.8	0.8	155	45.2	0	0	0	0	108.7	R621 S625 A626 C627	R621-T623 PolarHBondContact O-N 3.37Å; T623-S625 PolarHBondContact O-N 3.39Å; T623-A626 CarbonylContact O-C 3.57Å; T623-A626 PolarHBondContact O-N 2.85Å; T623-C627 PolarHBondContact O-N 3.18Å; T623-C627 PolarHBondContact O-SG 2.85Å
624	V	38.5	Very low	44.7	Very low	92 Å²	92	102.6 Å²	102.6	56%	0.558	57%	0.569	S	S	*	*	G	3₁₀ helix	trans	-58.4	-15.8	151	-72.2	0	0	0	0	114.2	P622 C627 N628	P622-V624 HydrophobicContact CB-CB 4.42Å; P622-V624 HydrophobicContact CB-CG2 3.2Å; P622-V624 PolarHBondContact O-N 3.23Å; V624-C627 VanDerWaalsContact CA-SG 3.53Å; V624-N628 VanDerWaalsContact O-CB 3.25Å; V624-N628 WeakPolarHBondContact O-CB 3.45Å; V624-N628 PolarHBondContact O-N 3.14Å; V624-N628 PolarHBondContact O-ND2 2.91Å; V624-N628 PolarHBondContact O-OD1 2.86Å
625	S	34	Very low	44.2	Very low	86 Å²	86	109.2 Å²	109.2	60%	0.601	60%	0.595	S	S	*	*	G	3₁₀ helix	trans	-88.9	-9.5	165.2	-64.6	0	0	0	0	114.4	P622 T623	P622-S625 PolarHBondContact O-N 2.94Å; T623-S625 PolarHBondContact O-N 3.39Å
626	A	34.7	Very low	44	Very low	81 Å²	81	106.9 Å²	106.9	67%	0.669	59%	0.586	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.4	-22.4	174	0	0	0	0	0	113.1	T623	T623-A626 CarbonylContact O-C 3.57Å; T623-A626 PolarHBondContact O-N 2.85Å
627	C	34.2	Very low	44.9	Very low	64 Å²	64	103.4 Å²	103.4	43%	0.432	57%	0.574	S	S	.	*	S	Bend	trans	-87.9	-6	164.8	59.6	0	0	0	0	113.9	T623 V624 N629	T623-C627 PolarHBondContact O-N 3.18Å; T623-C627 PolarHBondContact O-SG 2.85Å; V624-C627 VanDerWaalsContact CA-SG 3.53Å; C627-N629 PolarHBondContact O-N 3.08Å; C627-N629 VanDerWaalsContact O-N 3.12Å
628	N	29.9	Very low	46	Very low	119 Å²	119	110.5 Å²	110.5	64%	0.636	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.6	-0.1	176.3	-100.2	8.6	0	0	0	116	V624	V624-N628 VanDerWaalsContact O-CB 3.25Å; V624-N628 WeakPolarHBondContact O-CB 3.45Å; V624-N628 PolarHBondContact O-N 3.14Å; V624-N628 PolarHBondContact O-ND2 2.91Å; V624-N628 PolarHBondContact O-OD1 2.86Å
629	N	32.3	Very low	47.2	Very low	136 Å²	136	113.5 Å²	113.5	73%	0.727	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-121.4	2.7	-178.9	-78.5	-16.7	0	0	0	115.2	C627	C627-N629 PolarHBondContact O-N 3.08Å; C627-N629 VanDerWaalsContact O-N 3.12Å
630	N	33.3	Very low	48.8	Very low	171 Å²	171	103.7 Å²	103.7	91%	0.914	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	-158.1	14.3	178	-86.3	-37.9	0	0	0	117.1
631	A	35	Very low	50.7	Low	71 Å²	71	101.8 Å²	101.8	59%	0.587	56%	0.561	S	S	*	*	S	Bend	trans	-133.5	111.6	167.7	0	0	0	0	0	108.7	D633	A631-D633 PolarHBondContact O-N 3.29Å
632	T	38.6	Very low	53	Low	114 Å²	114	97.7 Å²	97.7	70%	0.699	55%	0.554	S	S	*	*			trans	-59.5	101.1	175.2	42.6	0	0	0	0	109.3	H634	T632-H634 PolarHBondContact O-CD2 2.91Å; T632-H634 PolarHBondContact O-N 3.5Å; T632-H634 PolarHBondContact OG1-CD2 3.19Å; T632-H634 PolarHBondContact OG1-NE2 3.36Å; T632-H634 VanDerWaalsContact OG1-NE2 3.14Å
633	D	45.2	Very low	55.7	Low	131 Å²	131	96.8 Å²	96.8	70%	0.701	54%	0.541	S	S	*	.			trans	-68.9	86.2	165.9	-160	19.2	0	0	0	106.4	A631 Q635	A631-D633 PolarHBondContact O-N 3.29Å; D633-Q635 PolarHBondContact O-N 3.06Å
634	H	54.2	Low	58.3	Low	103 Å²	103	92.7 Å²	92.7	48%	0.477	52%	0.516	S	S	.	.			trans	-68.5	83.1	176.9	-77.8	-76.9	0	0	0	108.3	T632 A636	T632-H634 PolarHBondContact O-CD2 2.91Å; T632-H634 PolarHBondContact O-N 3.5Å; T632-H634 PolarHBondContact OG1-CD2 3.19Å; T632-H634 PolarHBondContact OG1-NE2 3.36Å; T632-H634 VanDerWaalsContact OG1-NE2 3.14Å; H634-A636 PolarHBondContact O-N 3.45Å
635	Q	59.5	Low	61	Low	155 Å²	155	92.8 Å²	92.8	72%	0.724	51%	0.509	S	S	*	.	P	Polyproline II helix	trans	-49.1	133.3	150.5	-74.1	-177.5	-8.2	0	0	107.2	D633 T637	D633-Q635 PolarHBondContact O-N 3.06Å; Q635-T637 PolarHBondContact O-N 2.94Å
636	A	64.3	Low	63.8	Low	17 Å²	17	91 Å²	91	14%	0.14	50%	0.496	C	S	.	.	P	Polyproline II helix	trans	-51	117.2	-177.8	0	0	0	0	0	109.3	H634 D640 F641 C695	H634-A636 PolarHBondContact O-N 3.45Å; A636-D640 WeakPolarHBondContact CA-OD2 3.32Å; A636-D640 HydrophobicContact CB-CB 4.11Å; A636-F641 HydrophobicContact CB-CD2 4.07Å; A636-F641 HydrophobicContact CB-CE2 3.64Å; A636-F641 HydrophobicContact CB-CZ 4.13Å; A636-C695 WeakPolarHBondContact CB-O 3.28Å; A636-C695 PolarHBondContact N-O 3.37Å
637	T	78.5	Confident	66.6	Low	58 Å²	58	87.1 Å²	87.1	36%	0.356	46%	0.464	S	S	.	.	P	Polyproline II helix	trans	-71.2	164.5	172.3	62.8	0	0	0	0	109.5	Q635 E639 D640 F641	Q635-T637 PolarHBondContact O-N 2.94Å; T637-E639 PolarHBondContact O-N 2.94Å; T637-D640 PolarHBondContact N-OD2 3.17Å; T637-D640 WeakPolarHBondContact O-CB 3.34Å; T637-D640 PolarHBondContact O-N 3.43Å; T637-D640 VanDerWaalsContact OG1-CG 3.28Å; T637-D640 PolarHBondContact OG1-N 3.46Å; T637-D640 VanDerWaalsContact OG1-N 3.09Å; T637-D640 PolarHBondContact OG1-OD2 2.97Å; T637-F641 WeakPolarHBondContact O-CD2 3.38Å; T637-F641 PolarHBondContact O-N 3.32Å; T637-F641 VanDerWaalsContact O-N 3.1Å
638	E	79.9	Confident	69.6	Low	173 Å²	173	84.3 Å²	84.3	81%	0.808	45%	0.445	S	S	*	.	H	α-helix	trans	-54.7	-36.7	170.5	-72.3	-172.1	159.3	0	0	111.4	D640 F641 D642	E638-D640 VanDerWaalsContact C-N 3.34Å; E638-D640 PolarHBondContact O-N 3.13Å; E638-F641 WeakPolarHBondContact O-CB 3.4Å; E638-F641 PolarHBondContact O-N 3.38Å; E638-D642 PolarHBondContact O-N 3.02Å; E638-D642 VanDerWaalsContact O-N 3.11Å
639	E	84.2	Confident	72.7	Confident	136 Å²	136	83.2 Å²	83.2	64%	0.636	44%	0.443	S	S	*	.	H	α-helix	trans	-62.1	-38.4	173.6	-60.7	-178.5	174.6	0	0	112.7	T637 F641 D642 K643	T637-E639 PolarHBondContact O-N 2.94Å; E639-F641 VanDerWaalsContact C-N 3.34Å; E639-D642 PolarHBondContact O-N 3.21Å; E639-K643 VanDerWaalsContact O-CG 3.31Å; E639-K643 WeakPolarHBondContact O-CG 3.17Å; E639-K643 PolarHBondContact O-N 3.42Å
640	D	85.9	Confident	75.6	Confident	20 Å²	20	80.5 Å²	80.5	11%	0.107	42%	0.424	C	S	.	.	H	α-helix	trans	-65.4	-39.6	175.7	-68.8	-31.6	0	0	0	111.2	A636 T637 E638 D642 K643 L644 P697	A636-D640 WeakPolarHBondContact CA-OD2 3.32Å; A636-D640 HydrophobicContact CB-CB 4.11Å; T637-D640 PolarHBondContact N-OD2 3.17Å; T637-D640 WeakPolarHBondContact O-CB 3.34Å; T637-D640 PolarHBondContact O-N 3.43Å; T637-D640 VanDerWaalsContact OG1-CG 3.28Å; T637-D640 PolarHBondContact OG1-N 3.46Å; T637-D640 VanDerWaalsContact OG1-N 3.09Å; T637-D640 PolarHBondContact OG1-OD2 2.97Å; E638-D640 VanDerWaalsContact C-N 3.34Å; E638-D640 PolarHBondContact O-N 3.13Å; D640-D642 VanDerWaalsContact C-N 3.32Å; D640-D642 PolarHBondContact O-N 3.1Å; D640-K643 PolarHBondContact O-N 2.82Å; D640-L644 WeakPolarHBondContact O-CB 3.43Å; D640-L644 WeakPolarHBondContact O-CG 3.35Å; D640-L644 PolarHBondContact O-N 2.87Å; D640-P697 HydrophobicContact CB-CG 4.07Å
641	F	88.4	Confident	78.6	Confident	50 Å²	50	72.4 Å²	72.4	22%	0.219	38%	0.381	C	S	.	.	H	α-helix	trans	-61	-41.4	174.8	-82	-78.8	0	0	0	111.9	A636 T637 E638 E639 L644 K645 L689	A636-F641 HydrophobicContact CB-CD2 4.07Å; A636-F641 HydrophobicContact CB-CE2 3.64Å; A636-F641 HydrophobicContact CB-CZ 4.13Å; T637-F641 WeakPolarHBondContact O-CD2 3.38Å; T637-F641 PolarHBondContact O-N 3.32Å; T637-F641 VanDerWaalsContact O-N 3.1Å; E638-F641 WeakPolarHBondContact O-CB 3.4Å; E638-F641 PolarHBondContact O-N 3.38Å; E639-F641 VanDerWaalsContact C-N 3.34Å; F641-L644 PolarHBondContact O-N 2.96Å; F641-K645 WeakPolarHBondContact O-CG 3.24Å; F641-K645 PolarHBondContact O-N 3.22Å; F641-L689 HydrophobicContact CD1-CD1 3.93Å; F641-L689 HydrophobicContact CE1-CD1 4.39Å
642	D	89.9	Confident	81.5	Confident	107 Å²	107	73 Å²	73	57%	0.572	37%	0.368	S	S	*	.	H	α-helix	trans	-65.8	-40.6	176.4	-74.5	-20.8	0	0	0	112.3	E638 E639 D640 K645 S646	E638-D642 PolarHBondContact O-N 3.02Å; E638-D642 VanDerWaalsContact O-N 3.11Å; E639-D642 PolarHBondContact O-N 3.21Å; D640-D642 VanDerWaalsContact C-N 3.32Å; D640-D642 PolarHBondContact O-N 3.1Å; D642-K645 PolarHBondContact O-N 3.34Å; D642-S646 PolarHBondContact O-N 3.26Å
643	K	91.6	Very high	84.2	Confident	62 Å²	62	71.9 Å²	71.9	27%	0.27	37%	0.365	S	S	.	.	H	α-helix	trans	-62.3	-44	172.9	-69.4	169.2	-177.9	177.2	0	111.4	E639 D640 K645 S646 L647 E739 M740	E639-K643 VanDerWaalsContact O-CG 3.31Å; E639-K643 WeakPolarHBondContact O-CG 3.17Å; E639-K643 PolarHBondContact O-N 3.42Å; D640-K643 PolarHBondContact O-N 2.82Å; K643-K645 PolarHBondContact O-N 3.47Å; K643-S646 WeakPolarHBondContact O-CB 3.39Å; K643-S646 PolarHBondContact O-N 3.15Å; K643-L647 WeakPolarHBondContact O-CG 3.44Å; K643-L647 PolarHBondContact O-N 3.44Å; K643-E739 WeakPolarHBondContact CD-O 3.34Å; K643-M740 HydrophobicContact CB-CE 3.51Å; K643-M740 HydrophobicContact CB-SD 4.48Å; K643-M740 HydrophobicContact CD-CE 4.46Å; K643-M740 HydrophobicContact CD-SD 4.43Å
644	L	93.5	Very high	86.7	Confident	0 Å²	0	68.2 Å²	68.2	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-63.5	-40.3	177	-69.5	177.9	0	0	0	112	D640 F641 L647 L648 L689 P697 F700 W736 M740	D640-L644 WeakPolarHBondContact O-CB 3.43Å; D640-L644 WeakPolarHBondContact O-CG 3.35Å; D640-L644 PolarHBondContact O-N 2.87Å; F641-L644 PolarHBondContact O-N 2.96Å; L644-L647 HydrophobicContact CD2-CD1 4.48Å; L644-L647 PolarHBondContact O-N 3.4Å; L644-L648 WeakPolarHBondContact O-CB 3.42Å; L644-L648 PolarHBondContact O-N 3.27Å; L644-L689 HydrophobicContact CB-CD1 3.73Å; L644-L689 HydrophobicContact CB-CD2 4.33Å; L644-L689 HydrophobicContact CD1-CD1 4.07Å; L644-P697 HydrophobicContact CD2-CB 4.47Å; L644-F700 HydrophobicContact CD1-CB 4.32Å; L644-F700 HydrophobicContact CD2-CB 3.67Å; L644-F700 HydrophobicContact CD2-CD1 3.74Å; L644-F700 HydrophobicContact CD2-CD2 4.08Å; L644-F700 HydrophobicContact CD2-CE1 4.37Å; L644-F700 HydrophobicContact CD2-CG 3.58Å; L644-W736 HydrophobicContact CD2-CZ3 4.18Å; L644-M740 HydrophobicContact CD2-CE 3.61Å; L644-M740 HydrophobicContact CG-CE 4.04Å
645	K	93.4	Very high	88.6	Confident	95 Å²	95	68.7 Å²	68.7	41%	0.413	36%	0.356	S	S	.	.	H	α-helix	trans	-60.8	-46.9	172.8	-77.2	179.2	178.8	174.7	0	110.8	F641 D642 K643 L647 L648 T649 L689	F641-K645 WeakPolarHBondContact O-CG 3.24Å; F641-K645 PolarHBondContact O-N 3.22Å; D642-K645 PolarHBondContact O-N 3.34Å; K643-K645 PolarHBondContact O-N 3.47Å; K645-L647 PolarHBondContact O-N 3.16Å; K645-L648 PolarHBondContact O-N 2.99Å; K645-T649 PolarHBondContact O-N 3.39Å; K645-T649 PolarHBondContact O-OG1 3.09Å; K645-L689 HydrophobicContact CB-CD2 4.22Å; K645-L689 HydrophobicContact CG-CD2 3.52Å; K645-L689 HydrophobicContact CG-CG 4.15Å
646	S	93.4	Very high	90.4	Very high	47 Å²	47	62.5 Å²	62.5	33%	0.329	33%	0.33	S	S	.	.	H	α-helix	trans	-58.3	-47	176.4	-163.2	0	0	0	0	112.4	D642 K643 L648 T649 K650	D642-S646 PolarHBondContact O-N 3.26Å; K643-S646 WeakPolarHBondContact O-CB 3.39Å; K643-S646 PolarHBondContact O-N 3.15Å; S646-L648 VanDerWaalsContact C-N 3.35Å; S646-L648 PolarHBondContact O-N 3.01Å; S646-T649 PolarHBondContact O-N 3.23Å; S646-K650 WeakPolarHBondContact O-CG 3.42Å; S646-K650 PolarHBondContact O-N 3.4Å; S646-K650 WeakPolarHBondContact OG-CE 3.17Å; S646-K650 PolarHBondContact OG-NZ 3.05Å
647	L	94.5	Very high	91.9	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-59.4	-45.1	175.6	-77.5	176.6	0	0	0	111.7	K643 L644 K645 K650 L651 F700 M735 W736 E739 M740	K643-L647 WeakPolarHBondContact O-CG 3.44Å; K643-L647 PolarHBondContact O-N 3.44Å; L644-L647 HydrophobicContact CD2-CD1 4.48Å; L644-L647 PolarHBondContact O-N 3.4Å; K645-L647 PolarHBondContact O-N 3.16Å; L647-K650 PolarHBondContact O-N 3.29Å; L647-L651 WeakPolarHBondContact O-CG 3.48Å; L647-L651 PolarHBondContact O-N 3.45Å; L647-F700 HydrophobicContact CB-CE1 4.33Å; L647-F700 HydrophobicContact CB-CZ 4.48Å; L647-M735 HydrophobicContact CD2-CB 3.59Å; L647-W736 HydrophobicContact CD1-CE3 3.88Å; L647-W736 HydrophobicContact CD1-CZ3 4.14Å; L647-E739 HydrophobicContact CD2-CB 4.32Å; L647-E739 HydrophobicContact CD2-CG 4.29Å; L647-E739 VanDerWaalsContact CD2-OE2 3.26Å; L647-E739 WeakPolarHBondContact CD2-OE2 3.28Å; L647-E739 WeakPolarHBondContact CG-OE2 3.22Å; L647-M740 HydrophobicContact CD1-CE 3.51Å; L647-M740 HydrophobicContact CD1-CG 4.44Å
648	L	95.5	Very high	92.7	Very high	6 Å²	6	64.4 Å²	64.4	3%	0.031	33%	0.327	C	S	.	.	H	α-helix	trans	-63	-43.7	179.9	-172.8	65.5	0	0	0	111.3	L644 K645 S646 K650 L651 R652 L682 M685 E686 L689 F700	L644-L648 WeakPolarHBondContact O-CB 3.42Å; L644-L648 PolarHBondContact O-N 3.27Å; K645-L648 PolarHBondContact O-N 2.99Å; S646-L648 VanDerWaalsContact C-N 3.35Å; S646-L648 PolarHBondContact O-N 3.01Å; L648-K650 VanDerWaalsContact C-N 3.33Å; L648-K650 PolarHBondContact O-N 3.25Å; L648-L651 PolarHBondContact O-N 3.46Å; L648-R652 WeakPolarHBondContact O-CG 3.45Å; L648-R652 PolarHBondContact O-N 2.83Å; L648-L682 HydrophobicContact CD1-CD2 3.91Å; L648-M685 HydrophobicContact CD1-CB 4.14Å; L648-E686 HydrophobicContact CD2-CB 3.81Å; L648-E686 HydrophobicContact CD2-CG 4.09Å; L648-L689 HydrophobicContact CB-CD2 4.44Å; L648-L689 HydrophobicContact CD2-CD2 3.95Å; L648-F700 HydrophobicContact CB-CE2 4.2Å; L648-F700 HydrophobicContact CB-CZ 4.04Å; L648-F700 HydrophobicContact CD1-CE2 4.17Å; L648-F700 HydrophobicContact CD1-CZ 4.11Å
649	T	95.1	Very high	93.4	Very high	95 Å²	95	57.5 Å²	57.5	58%	0.583	30%	0.297	S	S	*	.	H	α-helix	trans	-60.6	-40.9	175	-52.4	0	0	0	0	112	K645 S646 R652 S653	K645-T649 PolarHBondContact O-N 3.39Å; K645-T649 PolarHBondContact O-OG1 3.09Å; S646-T649 PolarHBondContact O-N 3.23Å; T649-R652 PolarHBondContact O-N 3.02Å; T649-S653 PolarHBondContact O-N 3.41Å; T649-S653 VanDerWaalsContact O-N 3.12Å; T649-S653 PolarHBondContact O-OG 3.2Å; T649-S653 VanDerWaalsContact O-OG 3.12Å
650	K	94.9	Very high	94	Very high	80 Å²	80	51.5 Å²	51.5	35%	0.348	27%	0.269	S	S	.	.	H	α-helix	trans	-68.2	-36.3	176.2	-70	169.8	-169.4	165.8	0	112.5	S646 L647 L648 S653 H654 M735 E739	S646-K650 WeakPolarHBondContact O-CG 3.42Å; S646-K650 PolarHBondContact O-N 3.4Å; S646-K650 WeakPolarHBondContact OG-CE 3.17Å; S646-K650 PolarHBondContact OG-NZ 3.05Å; L647-K650 PolarHBondContact O-N 3.29Å; L648-K650 VanDerWaalsContact C-N 3.33Å; L648-K650 PolarHBondContact O-N 3.25Å; K650-S653 PolarHBondContact O-OG 2.59Å; K650-H654 PolarHBondContact O-N 3.22Å; K650-M735 HydrophobicContact CB-CE 4.26Å; K650-M735 HydrophobicContact CB-SD 3.61Å; K650-M735 HydrophobicContact CD-SD 3.91Å; K650-M735 HydrophobicContact CG-SD 4.32Å; K650-E739 VanDerWaalsContact NZ-CD 3.32Å; K650-E739 IonicContact NZ-OE1 3.46Å; K650-E739 PolarHBondContact NZ-OE1 2.82Å; K650-E739 IonicContact NZ-OE2 3.18Å
651	L	95.6	Very high	94.6	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-65.7	-46.5	174.8	-74.7	172.6	0	0	0	111.2	L647 L648 S653 H654 A657 L682 F700 V704 L728 F732 M735	L647-L651 WeakPolarHBondContact O-CG 3.48Å; L647-L651 PolarHBondContact O-N 3.45Å; L648-L651 PolarHBondContact O-N 3.46Å; L651-S653 VanDerWaalsContact C-N 3.28Å; L651-S653 PolarHBondContact O-N 3.24Å; L651-H654 WeakPolarHBondContact O-CB 3.29Å; L651-H654 PolarHBondContact O-N 3.45Å; L651-A657 WeakPolarHBondContact O-CB 3.45Å; L651-L682 HydrophobicContact CB-CD2 4.16Å; L651-L682 HydrophobicContact CD1-CD2 4.46Å; L651-F700 HydrophobicContact CD1-CE1 4.34Å; L651-F700 HydrophobicContact CD1-CZ 4.36Å; L651-V704 HydrophobicContact CD1-CG1 4.41Å; L651-V704 HydrophobicContact CD1-CG2 4Å; L651-L728 HydrophobicContact CD2-CD1 3.93Å; L651-L728 HydrophobicContact CD2-CG 4.26Å; L651-F732 HydrophobicContact CD1-CD2 3.89Å; L651-F732 HydrophobicContact CD1-CE2 4.37Å; L651-F732 HydrophobicContact CD2-CB 3.87Å; L651-F732 HydrophobicContact CD2-CD2 4.11Å; L651-F732 HydrophobicContact CD2-CG 4.39Å; L651-F732 HydrophobicContact CG-CD2 4.42Å; L651-M735 HydrophobicContact CD2-CE 3.71Å; L651-M735 HydrophobicContact CG-CE 4.13Å
652	R	96.6	Very high	94.9	Very high	83 Å²	83	57.5 Å²	57.5	31%	0.313	30%	0.299	S	S	.	.	H	α-helix	trans	-61.8	-34.1	178.4	-70.6	174.3	70.9	81.9	4.9	112.7	L648 T649 L661 L682 E686	L648-R652 WeakPolarHBondContact O-CG 3.45Å; L648-R652 PolarHBondContact O-N 2.83Å; T649-R652 PolarHBondContact O-N 3.02Å; R652-L661 HydrophobicContact CB-CD2 4.22Å; R652-L661 HydrophobicContact CG-CD2 4.38Å; R652-L682 HydrophobicContact CG-CB 4.05Å; R652-L682 HydrophobicContact CG-CD1 4Å; R652-E686 IonicContact CZ-OE2 3Å; R652-E686 IonicContact NE-OE2 3.35Å; R652-E686 IonicContact NH1-OE2 2.8Å; R652-E686 PolarHBondContact NH1-OE2 3Å; R652-E686 VanDerWaalsContact NH1-OE2 3.13Å; R652-E686 IonicContact NH2-OE2 3.17Å
653	S	95.3	Very high	95.2	Very high	92 Å²	92	55.1 Å²	55.1	64%	0.643	29%	0.289	S	S	*	.	H	α-helix	trans	-84.5	-6.7	179.5	63.3	0	0	0	0	114.8	T649 K650 L651	T649-S653 PolarHBondContact O-N 3.41Å; T649-S653 VanDerWaalsContact O-N 3.12Å; T649-S653 PolarHBondContact O-OG 3.2Å; T649-S653 VanDerWaalsContact O-OG 3.12Å; K650-S653 PolarHBondContact O-OG 2.59Å; L651-S653 VanDerWaalsContact C-N 3.28Å; L651-S653 PolarHBondContact O-N 3.24Å
654	H	96.1	Very high	95.3	Very high	54 Å²	54	54.1 Å²	54.1	25%	0.25	29%	0.288	C	S	.	.	S	Bend	trans	-69.2	137.5	-178.5	-172.8	-92.3	0	0	0	111.3	K650 L651 S656 A657 L728	K650-H654 PolarHBondContact O-N 3.22Å; L651-H654 WeakPolarHBondContact O-CB 3.29Å; L651-H654 PolarHBondContact O-N 3.45Å; H654-S656 PolarHBondContact CE1-OG 3.32Å; H654-S656 WeakPolarHBondContact ND1-CB 3.29Å; H654-S656 PolarHBondContact ND1-N 3.49Å; H654-S656 VanDerWaalsContact ND1-N 3.13Å; H654-S656 PolarHBondContact O-N 2.99Å; H654-A657 HydrophobicContact CB-CB 4.4Å; H654-A657 WeakPolarHBondContact O-CB 3.06Å; H654-A657 PolarHBondContact O-N 3.35Å; H654-L728 HydrophobicContact CB-CD1 3.62Å; H654-L728 WeakPolarHBondContact ND1-CD1 3.44Å
655	P	95.7	Very high	95.2	Very high	112 Å²	112	58.2 Å²	58.2	73%	0.727	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-23.1	-177.7	-27.8	35	0	0	0	115.3
656	S	95.9	Very high	95.1	Very high	25 Å²	25	56.3 Å²	56.3	18%	0.175	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	7.1	176.4	-49	0	0	0	0	114.3	H654 P659 A727	H654-S656 PolarHBondContact CE1-OG 3.32Å; H654-S656 WeakPolarHBondContact ND1-CB 3.29Å; H654-S656 PolarHBondContact ND1-N 3.49Å; H654-S656 VanDerWaalsContact ND1-N 3.13Å; H654-S656 PolarHBondContact O-N 2.99Å; S656-P659 WeakPolarHBondContact O-CD 3.37Å; S656-A727 WeakPolarHBondContact OG-CB 3.27Å
657	A	96.7	Very high	94.9	Very high	1 Å²	1	58 Å²	58	1%	0.008	33%	0.329	C	S	.	.			trans	-82.7	-16.1	-177.1	0	0	0	0	0	114.5	L651 H654 P659 F660 L661 L682 L728	L651-A657 WeakPolarHBondContact O-CB 3.45Å; H654-A657 HydrophobicContact CB-CB 4.4Å; H654-A657 WeakPolarHBondContact O-CB 3.06Å; H654-A657 PolarHBondContact O-N 3.35Å; A657-P659 VanDerWaalsContact C-N 3.3Å; A657-P659 VanDerWaalsContact O-CD 3.32Å; A657-P659 WeakPolarHBondContact O-CD 3.44Å; A657-F660 WeakPolarHBondContact O-CB 3.29Å; A657-F660 PolarHBondContact O-N 3.19Å; A657-L661 HydrophobicContact CB-CD2 4.27Å; A657-L661 PolarHBondContact O-N 2.88Å; A657-L682 HydrophobicContact CB-CD1 4.26Å; A657-L728 HydrophobicContact CB-CD1 4.42Å; A657-L728 HydrophobicContact CB-CD2 4.38Å
658	W	95.1	Very high	94.7	Very high	115 Å²	115	65.5 Å²	65.5	44%	0.436	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.3	-33.5	-174	67.7	-92.1	0	0	0	116.6	F660 K720 Y721	W658-F660 VanDerWaalsContact C-N 3.3Å; W658-F660 PolarHBondContact O-N 3.39Å; W658-K720 HydrophobicContact CH2-CD 3.6Å; W658-K720 HydrophobicContact CH2-CG 3.9Å; W658-K720 HydrophobicContact CZ2-CB 4.26Å; W658-K720 HydrophobicContact CZ2-CD 3.72Å; W658-K720 HydrophobicContact CZ2-CG 3.9Å; W658-Y721 AromaticContact CH2-CD1 3.69Å; W658-Y721 HydrophobicContact CH2-CD1 3.69Å; W658-Y721 AromaticContact CH2-CE1 3.36Å; W658-Y721 HydrophobicContact CH2-CE1 3.36Å; W658-Y721 HydrophobicContact CH2-CE2 4.5Å; W658-Y721 HydrophobicContact CH2-CG 4.39Å; W658-Y721 AromaticContact CH2-CZ 3.81Å; W658-Y721 HydrophobicContact CZ3-CD1 4.16Å; W658-Y721 AromaticContact CZ3-CE1 3.54Å; W658-Y721 HydrophobicContact CZ3-CE1 3.54Å
659	P	94.6	Very high	94.4	Very high	28 Å²	28	67.2 Å²	67.2	18%	0.182	37%	0.374	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-5.5	177.2	0.4	16.6	0	0	0	114.6	S656 A657 Y721 A724	S656-P659 WeakPolarHBondContact O-CD 3.37Å; A657-P659 VanDerWaalsContact C-N 3.3Å; A657-P659 VanDerWaalsContact O-CD 3.32Å; A657-P659 WeakPolarHBondContact O-CD 3.44Å; P659-Y721 HydrophobicContact CB-CD1 3.83Å; P659-Y721 HydrophobicContact CB-CE1 4.23Å; P659-Y721 HydrophobicContact CG-CD1 4.24Å; P659-A724 HydrophobicContact CG-CB 3.98Å
660	F	97.3	Very high	94.1	Very high	10 Å²	10	67.3 Å²	67.3	4%	0.044	38%	0.377	C	S	.	.	S	Bend	trans	-118.5	-2.2	-168.9	-53	-74.5	0	0	0	113	A657 W658 E662 L682 M707 M708 C711 A724 A725 L728	A657-F660 WeakPolarHBondContact O-CB 3.29Å; A657-F660 PolarHBondContact O-N 3.19Å; W658-F660 VanDerWaalsContact C-N 3.3Å; W658-F660 PolarHBondContact O-N 3.39Å; F660-E662 VanDerWaalsContact C-N 3.3Å; F660-E662 PolarHBondContact O-N 2.82Å; F660-L682 HydrophobicContact CB-CD1 4.09Å; F660-L682 HydrophobicContact CB-CG 4.2Å; F660-L682 VanDerWaalsContact O-CB 3.31Å; F660-L682 WeakPolarHBondContact O-CB 3.3Å; F660-L682 WeakPolarHBondContact O-CG 3.29Å; F660-L682 PolarHBondContact O-N 3.26Å; F660-M707 HydrophobicContact CB-CE 4Å; F660-M707 HydrophobicContact CB-CG 4.46Å; F660-M707 HydrophobicContact CB-SD 3.7Å; F660-M707 HydrophobicContact CD1-CE 4.1Å; F660-M707 HydrophobicContact CD1-CG 3.57Å; F660-M707 HydrophobicContact CD1-SD 3.91Å; F660-M707 HydrophobicContact CE1-CG 4.17Å; F660-M707 HydrophobicContact CG-CE 4.01Å; F660-M707 HydrophobicContact CG-CG 4.31Å; F660-M707 HydrophobicContact CG-SD 4.06Å; F660-M708 HydrophobicContact CE1-SD 4.41Å; F660-M708 HydrophobicContact CZ-SD 4.16Å; F660-C711 HydrophobicContact CE1-CB 3.67Å; F660-C711 HydrophobicContact CZ-CB 4.1Å; F660-A724 HydrophobicContact CE2-CB 4.29Å; F660-A725 HydrophobicContact CZ-CB 3.89Å; F660-L728 HydrophobicContact CD2-CD2 3.43Å; F660-L728 VanDerWaalsContact CD2-CD2 3.43Å; F660-L728 HydrophobicContact CE2-CD2 3.73Å; F660-L728 HydrophobicContact CG-CD2 4.2Å
661	L	96.6	Very high	93.8	Very high	55 Å²	55	69.5 Å²	69.5	29%	0.288	39%	0.392	S	S	.	.	S	Bend	trans	-66.7	-35.9	-174.3	-68.2	175.2	0	0	0	112.2	R652 A657 L682 E683	R652-L661 HydrophobicContact CB-CD2 4.22Å; R652-L661 HydrophobicContact CG-CD2 4.38Å; A657-L661 HydrophobicContact CB-CD2 4.27Å; A657-L661 PolarHBondContact O-N 2.88Å; L661-L682 HydrophobicContact CD2-CD1 4.17Å; L661-E683 WeakPolarHBondContact O-CB 3.37Å; L661-E683 PolarHBondContact O-N 3.43Å
662	E	95.5	Very high	93.7	Very high	141 Å²	141	70.3 Å²	70.3	66%	0.659	40%	0.395	S	S	*	.	S	Bend	trans	-130.3	157.8	-175	-65	176.1	-177.8	0	0	109.5	F660	F660-E662 VanDerWaalsContact C-N 3.3Å; F660-E662 PolarHBondContact O-N 2.82Å
663	P	95.4	Very high	93.5	Very high	57 Å²	57	71 Å²	71	37%	0.37	40%	0.398	S	S	.	.	P	Polyproline II helix	trans	-54.3	146.7	170.4	-23.5	31.8	0	0	0	112.2	D665 D681 E683	P663-D665 PolarHBondContact O-N 2.98Å; P663-D681 WeakPolarHBondContact CD-OD1 3.48Å; P663-E683 WeakPolarHBondContact CD-OE2 3.38Å
664	V	94	Very high	93.1	Very high	41 Å²	41	70.1 Å²	70.1	25%	0.248	40%	0.404	C	S	.	.	P	Polyproline II helix	trans	-65.4	125	178.8	178.2	0	0	0	0	110.2	A666 V669 Y672 Y673	V664-A666 PolarHBondContact O-N 3.38Å; V664-V669 HydrophobicContact CG1-CB 3.85Å; V664-V669 HydrophobicContact CG1-CG2 3.85Å; V664-Y672 HydrophobicContact CB-CD1 3.83Å; V664-Y672 HydrophobicContact CB-CE1 3.91Å; V664-Y672 HydrophobicContact CB-CG 4.17Å; V664-Y672 HydrophobicContact CG1-CD1 3.99Å; V664-Y672 HydrophobicContact CG1-CD2 4.16Å; V664-Y672 HydrophobicContact CG1-CE1 4.46Å; V664-Y672 HydrophobicContact CG1-CG 3.83Å; V664-Y672 HydrophobicContact CG2-CD1 4.11Å; V664-Y672 HydrophobicContact CG2-CD2 4.36Å; V664-Y672 HydrophobicContact CG2-CE1 3.73Å; V664-Y672 HydrophobicContact CG2-CE2 3.99Å; V664-Y672 HydrophobicContact CG2-CG 4.41Å; V664-Y673 VanDerWaalsContact O-CE2 3.31Å; V664-Y673 WeakPolarHBondContact O-CE2 3.39Å; V664-Y673 PolarHBondContact O-OH 3.3Å
665	D	92.4	Very high	92.8	Very high	85 Å²	85	72.8 Å²	72.8	46%	0.455	42%	0.415	S	S	.	.	P	Polyproline II helix	trans	-67.5	120.4	176.7	-171.2	-9.5	0	0	0	110.9	P663 A667 E668 V669	P663-D665 PolarHBondContact O-N 2.98Å; D665-A667 PolarHBondContact O-N 3.09Å; D665-A667 WeakPolarHBondContact OD1-CB 3.49Å; D665-A667 PolarHBondContact OD1-N 2.65Å; D665-E668 HydrophobicContact CB-CB 4.25Å; D665-E668 HydrophobicContact CB-CG 4.13Å; D665-E668 PolarHBondContact O-N 3.44Å; D665-V669 PolarHBondContact O-N 2.97Å
666	A	90.2	Very high	92.7	Very high	55 Å²	55	67.6 Å²	67.6	46%	0.455	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-23.4	177.3	0	0	0	0	0	112.9	V664 P670 Y673	V664-A666 PolarHBondContact O-N 3.38Å; A666-P670 WeakPolarHBondContact O-CA 3.49Å; A666-Y673 HydrophobicContact CB-CD2 4.04Å; A666-Y673 HydrophobicContact CB-CE2 3.88Å
667	A	90.2	Very high	92.4	Very high	83 Å²	83	74.6 Å²	74.6	69%	0.686	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-37.2	174.6	0	0	0	0	0	111.7	D665	D665-A667 PolarHBondContact O-N 3.09Å; D665-A667 WeakPolarHBondContact OD1-CB 3.49Å; D665-A667 PolarHBondContact OD1-N 2.65Å
668	E	89.4	Confident	92.2	Very high	158 Å²	158	82.6 Å²	82.6	74%	0.738	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-34.7	177.1	-64.6	-164.5	164.7	0	0	112.7	D665	D665-E668 HydrophobicContact CB-CB 4.25Å; D665-E668 HydrophobicContact CB-CG 4.13Å; D665-E668 PolarHBondContact O-N 3.44Å
669	V	89.8	Confident	92.2	Very high	41 Å²	41	79.7 Å²	79.7	25%	0.248	44%	0.436	C	S	.	.			trans	-129.6	76.3	-176.4	-162.6	0	0	0	0	111.3	V664 D665 D671 Y672 F714	V664-V669 HydrophobicContact CG1-CB 3.85Å; V664-V669 HydrophobicContact CG1-CG2 3.85Å; D665-V669 PolarHBondContact O-N 2.97Å; V669-D671 VanDerWaalsContact C-N 3.28Å; V669-D671 PolarHBondContact O-N 3.38Å; V669-Y672 WeakPolarHBondContact O-CB 3.49Å; V669-Y672 PolarHBondContact O-N 3.18Å; V669-Y672 VanDerWaalsContact O-N 3.12Å; V669-F714 HydrophobicContact CG1-CE1 3.47Å; V669-F714 VanDerWaalsContact CG1-CE1 3.47Å; V669-F714 HydrophobicContact CG1-CE2 4.5Å; V669-F714 HydrophobicContact CG1-CZ 3.39Å
670	P	88.2	Confident	92.3	Very high	98 Å²	98	78.8 Å²	78.8	64%	0.636	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-34.2	-171.4	-25.6	34.6	0	0	0	114.6	A666 Y672	A666-P670 WeakPolarHBondContact O-CA 3.49Å; P670-Y672 VanDerWaalsContact C-N 3.32Å; P670-Y672 PolarHBondContact O-N 3.43Å
671	D	90	Very high	92.3	Very high	125 Å²	125	78.9 Å²	78.9	67%	0.668	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-6	-175.8	-64.5	-35.1	0	0	0	113.6	V669 Y673 G674 F675	V669-D671 VanDerWaalsContact C-N 3.28Å; V669-D671 PolarHBondContact O-N 3.38Å; D671-Y673 PolarHBondContact O-N 3.34Å; D671-G674 PolarHBondContact O-N 3.16Å; D671-F675 PolarHBondContact O-N 2.96Å; D671-F675 VanDerWaalsContact O-N 3.13Å
672	Y	92.7	Very high	92.3	Very high	17 Å²	17	76.2 Å²	76.2	7%	0.067	42%	0.416	C	S	.	.	H	α-helix	trans	-60.6	-53.8	-170.7	-173.4	-100.6	0	0	0	112.3	V664 V669 P670 G674 F675 I676 P679 F714	V664-Y672 HydrophobicContact CB-CD1 3.83Å; V664-Y672 HydrophobicContact CB-CE1 3.91Å; V664-Y672 HydrophobicContact CB-CG 4.17Å; V664-Y672 HydrophobicContact CG1-CD1 3.99Å; V664-Y672 HydrophobicContact CG1-CD2 4.16Å; V664-Y672 HydrophobicContact CG1-CE1 4.46Å; V664-Y672 HydrophobicContact CG1-CG 3.83Å; V664-Y672 HydrophobicContact CG2-CD1 4.11Å; V664-Y672 HydrophobicContact CG2-CD2 4.36Å; V664-Y672 HydrophobicContact CG2-CE1 3.73Å; V664-Y672 HydrophobicContact CG2-CE2 3.99Å; V664-Y672 HydrophobicContact CG2-CG 4.41Å; V669-Y672 WeakPolarHBondContact O-CB 3.49Å; V669-Y672 PolarHBondContact O-N 3.18Å; V669-Y672 VanDerWaalsContact O-N 3.12Å; P670-Y672 VanDerWaalsContact C-N 3.32Å; P670-Y672 PolarHBondContact O-N 3.43Å; Y672-G674 PolarHBondContact O-N 3.23Å; Y672-F675 PolarHBondContact O-N 3.23Å; Y672-F675 VanDerWaalsContact O-N 3.08Å; Y672-I676 HydrophobicContact CD1-CB 4.48Å; Y672-I676 HydrophobicContact CD2-CG1 4.13Å; Y672-I676 HydrophobicContact CE1-CB 4.12Å; Y672-I676 HydrophobicContact CE1-CG1 4.36Å; Y672-I676 HydrophobicContact CE1-CG2 4.2Å; Y672-I676 HydrophobicContact CE2-CB 4.4Å; Y672-I676 HydrophobicContact CE2-CG1 3.74Å; Y672-I676 WeakPolarHBondContact O-CB 3.47Å; Y672-I676 PolarHBondContact O-N 2.99Å; Y672-P679 HydrophobicContact CE1-CB 4.13Å; Y672-F714 HydrophobicContact CD2-CB 4.46Å; Y672-F714 AromaticContact CD2-CD1 3.98Å; Y672-F714 HydrophobicContact CD2-CD1 3.98Å; Y672-F714 AromaticContact CD2-CD2 3.84Å; Y672-F714 HydrophobicContact CD2-CD2 3.84Å; Y672-F714 HydrophobicContact CD2-CE1 4.16Å; Y672-F714 HydrophobicContact CD2-CE2 4.04Å; Y672-F714 AromaticContact CD2-CG 3.82Å; Y672-F714 HydrophobicContact CD2-CG 3.82Å; Y672-F714 HydrophobicContact CD2-CZ 4.2Å; Y672-F714 HydrophobicContact CE2-CB 4.28Å; Y672-F714 HydrophobicContact CE2-CD1 4.41Å; Y672-F714 HydrophobicContact CE2-CD2 4.43Å; Y672-F714 HydrophobicContact CE2-CG 4.12Å
673	Y	91.9	Very high	92.4	Very high	98 Å²	98	73 Å²	73	38%	0.384	40%	0.401	S	S	.	.	H	α-helix	trans	-73.3	-16.4	-176.8	-64	-78.4	0	0	0	113.4	V664 A666 D671 P679	V664-Y673 VanDerWaalsContact O-CE2 3.31Å; V664-Y673 WeakPolarHBondContact O-CE2 3.39Å; V664-Y673 PolarHBondContact O-OH 3.3Å; A666-Y673 HydrophobicContact CB-CD2 4.04Å; A666-Y673 HydrophobicContact CB-CE2 3.88Å; D671-Y673 PolarHBondContact O-N 3.34Å; Y673-P679 HydrophobicContact CD1-CB 4.31Å; Y673-P679 HydrophobicContact CD1-CG 4.02Å; Y673-P679 HydrophobicContact CE1-CB 3.86Å; Y673-P679 HydrophobicContact CE1-CG 3.82Å
674	G	88.4	Confident	92.5	Very high	73 Å²	73	72.3 Å²	72.3	75%	0.753	40%	0.396	S	S	*	.	H	α-helix	trans	-76.6	-31.1	168.9	0	0	0	0	0	112.7	D671 Y672	D671-G674 PolarHBondContact O-N 3.16Å; Y672-G674 PolarHBondContact O-N 3.23Å
675	F	88.8	Confident	92.6	Very high	110 Å²	110	70.4 Å²	70.4	48%	0.482	38%	0.384	S	S	.	.	H	α-helix	trans	-95.5	-36.4	-176.2	-162.8	-98.3	0	0	0	113.6	D671 Y672 R713 F714	D671-F675 PolarHBondContact O-N 2.96Å; D671-F675 VanDerWaalsContact O-N 3.13Å; Y672-F675 PolarHBondContact O-N 3.23Å; Y672-F675 VanDerWaalsContact O-N 3.08Å; F675-R713 HydrophobicContact CE1-CG 3.87Å; F675-R713 WeakPolarHBondContact CE1-O 3.36Å; F675-F714 HydrophobicContact CB-CD2 4.05Å; F675-F714 HydrophobicContact CB-CE2 4.13Å; F675-F714 AromaticContact CD1-CD2 3.83Å; F675-F714 HydrophobicContact CD1-CD2 3.83Å; F675-F714 HydrophobicContact CG-CD2 4.2Å
676	I	94	Very high	92.8	Very high	3 Å²	3	69.7 Å²	69.7	2%	0.015	38%	0.378	C	S	.	.			trans	-103.6	113.3	-178.9	-60.7	-57	0	0	0	109.8	Y672 N710 R713 F714	Y672-I676 HydrophobicContact CD1-CB 4.48Å; Y672-I676 HydrophobicContact CD2-CG1 4.13Å; Y672-I676 HydrophobicContact CE1-CB 4.12Å; Y672-I676 HydrophobicContact CE1-CG1 4.36Å; Y672-I676 HydrophobicContact CE1-CG2 4.2Å; Y672-I676 HydrophobicContact CE2-CB 4.4Å; Y672-I676 HydrophobicContact CE2-CG1 3.74Å; Y672-I676 WeakPolarHBondContact O-CB 3.47Å; Y672-I676 PolarHBondContact O-N 2.99Å; I676-N710 HydrophobicContact CD1-CB 4.27Å; I676-N710 HydrophobicContact CG2-CB 4Å; I676-R713 HydrophobicContact CD1-CB 4.27Å; I676-R713 HydrophobicContact CD1-CG 4.35Å; I676-F714 HydrophobicContact CD1-CB 4.25Å; I676-F714 HydrophobicContact CG1-CB 4.3Å; I676-F714 HydrophobicContact CG1-CD2 4.3Å
677	K	89.8	Confident	93	Very high	173 Å²	173	72.5 Å²	72.5	75%	0.752	38%	0.382	S	S	*	.	S	Bend	trans	-80.9	-25.5	-173.9	-63.3	-145.6	174.6	-164.3	0	115.2
678	Y	92	Very high	93.2	Very high	168 Å²	168	71.7 Å²	71.7	66%	0.659	36%	0.361	S	S	*	.	S	Bend	trans	-132.7	70.3	-175.1	-59	-72	0	0	0	109.1	R706 N710	Y678-R706 VanDerWaalsContact O-CD 3.31Å; Y678-R706 WeakPolarHBondContact O-CD 3.38Å; Y678-N710 PolarHBondContact O-ND2 3.16Å
679	P	94.9	Very high	93.3	Very high	55 Å²	55	64.4 Å²	64.4	36%	0.357	33%	0.327	S	S	.	.			trans	-59.8	145.8	178.1	28.7	-36.5	0	0	0	110.4	Y672 Y673	Y672-P679 HydrophobicContact CE1-CB 4.13Å; Y673-P679 HydrophobicContact CD1-CB 4.31Å; Y673-P679 HydrophobicContact CD1-CG 4.02Å; Y673-P679 HydrophobicContact CE1-CB 3.86Å; Y673-P679 HydrophobicContact CE1-CG 3.82Å
680	I	96.8	Very high	93.4	Very high	9 Å²	9	67.7 Å²	67.7	5%	0.046	34%	0.343	C	S	.	.			trans	-158.1	148.4	177.7	-168	66.7	0	0	0	108.2	T684 M685 D703 R706 M707	I680-T684 HydrophobicContact CD1-CG2 3.58Å; I680-M685 HydrophobicContact CD1-CG 4.06Å; I680-M685 HydrophobicContact CG1-CG 3.94Å; I680-D703 HydrophobicContact CG1-CB 4.23Å; I680-R706 HydrophobicContact CG2-CB 4.22Å; I680-R706 HydrophobicContact CG2-CG 4.28Å; I680-M707 HydrophobicContact CG2-CB 3.71Å; I680-M707 HydrophobicContact CG2-CG 4.28Å
681	D	97.3	Very high	93.4	Very high	11 Å²	11	67.3 Å²	67.3	6%	0.059	34%	0.343	C	S	.	.			trans	-154.1	169.3	-174.9	60.8	85.5	0	0	0	108.9	P663 E683 T684 M685	P663-D681 WeakPolarHBondContact CD-OD1 3.48Å; D681-E683 PolarHBondContact O-N 3.47Å; D681-E683 WeakPolarHBondContact OD1-CA 3.2Å; D681-E683 WeakPolarHBondContact OD1-CB 3.3Å; D681-E683 PolarHBondContact OD1-N 3.32Å; D681-T684 PolarHBondContact O-N 3.28Å; D681-T684 PolarHBondContact OD1-N 2.92Å; D681-T684 PolarHBondContact OD1-OG1 3.49Å; D681-T684 WeakPolarHBondContact OD2-CB 3.46Å; D681-T684 PolarHBondContact OD2-OG1 2.93Å; D681-M685 VanDerWaalsContact O-CG 3.24Å; D681-M685 WeakPolarHBondContact O-CG 3.35Å; D681-M685 PolarHBondContact O-N 2.96Å
682	L	97.6	Very high	93.2	Very high	0 Å²	0	63 Å²	63	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-71.4	-26.7	-172.9	-66.6	172.5	0	0	0	113.4	L648 L651 R652 A657 F660 L661 M685 E686 M707	L648-L682 HydrophobicContact CD1-CD2 3.91Å; L651-L682 HydrophobicContact CB-CD2 4.16Å; L651-L682 HydrophobicContact CD1-CD2 4.46Å; R652-L682 HydrophobicContact CG-CB 4.05Å; R652-L682 HydrophobicContact CG-CD1 4Å; A657-L682 HydrophobicContact CB-CD1 4.26Å; F660-L682 HydrophobicContact CB-CD1 4.09Å; F660-L682 HydrophobicContact CB-CG 4.2Å; F660-L682 VanDerWaalsContact O-CB 3.31Å; F660-L682 WeakPolarHBondContact O-CB 3.3Å; F660-L682 WeakPolarHBondContact O-CG 3.29Å; F660-L682 PolarHBondContact O-N 3.26Å; L661-L682 HydrophobicContact CD2-CD1 4.17Å; L682-M685 HydrophobicContact CD2-SD 4.29Å; L682-E686 WeakPolarHBondContact O-CB 3.48Å; L682-E686 PolarHBondContact O-N 3Å; L682-M707 HydrophobicContact CD2-CE 3.94Å; L682-M707 HydrophobicContact CD2-SD 4.07Å; L682-M707 HydrophobicContact CG-CE 4.2Å; L682-M707 HydrophobicContact CG-SD 3.98Å
683	E	96.9	Very high	93	Very high	72 Å²	72	65.6 Å²	65.6	34%	0.336	34%	0.338	S	S	.	.	H	α-helix	trans	-72	-46.5	173.4	176.3	179.9	-160.9	0	0	110.6	L661 P663 D681 M685 E686 H687	L661-E683 WeakPolarHBondContact O-CB 3.37Å; L661-E683 PolarHBondContact O-N 3.43Å; P663-E683 WeakPolarHBondContact CD-OE2 3.38Å; D681-E683 PolarHBondContact O-N 3.47Å; D681-E683 WeakPolarHBondContact OD1-CA 3.2Å; D681-E683 WeakPolarHBondContact OD1-CB 3.3Å; D681-E683 PolarHBondContact OD1-N 3.32Å; E683-M685 PolarHBondContact O-N 2.95Å; E683-E686 VanDerWaalsContact O-CB 3.29Å; E683-E686 WeakPolarHBondContact O-CB 3.24Å; E683-E686 PolarHBondContact O-N 3.41Å; E683-H687 PolarHBondContact O-CD2 3.32Å; E683-H687 VanDerWaalsContact O-CD2 3.25Å; E683-H687 PolarHBondContact O-N 3.46Å
684	T	96.4	Very high	92.9	Very high	44 Å²	44	60.9 Å²	60.9	27%	0.27	32%	0.32	S	S	.	.	H	α-helix	trans	-58.6	-39.1	172.3	-62.9	0	0	0	0	111.2	I680 D681 E686 R688	I680-T684 HydrophobicContact CD1-CG2 3.58Å; D681-T684 PolarHBondContact O-N 3.28Å; D681-T684 PolarHBondContact OD1-N 2.92Å; D681-T684 PolarHBondContact OD1-OG1 3.49Å; D681-T684 WeakPolarHBondContact OD2-CB 3.46Å; D681-T684 PolarHBondContact OD2-OG1 2.93Å; T684-E686 VanDerWaalsContact C-N 3.34Å; T684-R688 WeakPolarHBondContact O-CB 3.15Å; T684-R688 WeakPolarHBondContact O-CG 3.28Å; T684-R688 PolarHBondContact O-N 3.09Å
685	M	97.1	Very high	92.6	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-66.2	-34.9	175.7	-72.4	-173.7	71.9	0	0	112.7	L648 I680 D681 L682 E683 R688 L689 Y694 F700 D703 V704	L648-M685 HydrophobicContact CD1-CB 4.14Å; I680-M685 HydrophobicContact CD1-CG 4.06Å; I680-M685 HydrophobicContact CG1-CG 3.94Å; D681-M685 VanDerWaalsContact O-CG 3.24Å; D681-M685 WeakPolarHBondContact O-CG 3.35Å; D681-M685 PolarHBondContact O-N 2.96Å; L682-M685 HydrophobicContact CD2-SD 4.29Å; E683-M685 PolarHBondContact O-N 2.95Å; M685-R688 PolarHBondContact O-N 3.25Å; M685-L689 WeakPolarHBondContact O-CB 3.32Å; M685-L689 PolarHBondContact O-N 3.3Å; M685-Y694 WeakPolarHBondContact CA-OH 3.34Å; M685-Y694 WeakPolarHBondContact CB-OH 3.31Å; M685-Y694 VanDerWaalsContact CG-OH 3.31Å; M685-Y694 WeakPolarHBondContact CG-OH 3.31Å; M685-Y694 WeakPolarHBondContact O-CE2 3.3Å; M685-F700 HydrophobicContact CE-CD1 4.24Å; M685-F700 HydrophobicContact CE-CD2 3.68Å; M685-F700 HydrophobicContact CE-CE1 4.12Å; M685-F700 HydrophobicContact CE-CE2 3.55Å; M685-F700 HydrophobicContact CE-CG 4.03Å; M685-F700 HydrophobicContact CE-CZ 3.79Å; M685-D703 HydrophobicContact CE-CB 3.8Å; M685-D703 HydrophobicContact CG-CB 4.25Å; M685-D703 HydrophobicContact SD-CB 4.09Å; M685-V704 HydrophobicContact CE-CB 4.45Å; M685-V704 HydrophobicContact CE-CG2 3.35Å; M685-V704 HydrophobicContact SD-CG2 4.01Å
686	E	95.9	Very high	92.4	Very high	71 Å²	71	57.1 Å²	57.1	33%	0.332	29%	0.29	S	S	.	.	H	α-helix	trans	-62.3	-50.4	174.8	-167.2	163.2	-162.4	0	0	111	L648 R652 L682 E683 T684 R688 L689 D690	L648-E686 HydrophobicContact CD2-CB 3.81Å; L648-E686 HydrophobicContact CD2-CG 4.09Å; R652-E686 IonicContact CZ-OE2 3Å; R652-E686 IonicContact NE-OE2 3.35Å; R652-E686 IonicContact NH1-OE2 2.8Å; R652-E686 PolarHBondContact NH1-OE2 3Å; R652-E686 VanDerWaalsContact NH1-OE2 3.13Å; R652-E686 IonicContact NH2-OE2 3.17Å; L682-E686 WeakPolarHBondContact O-CB 3.48Å; L682-E686 PolarHBondContact O-N 3Å; E683-E686 VanDerWaalsContact O-CB 3.29Å; E683-E686 WeakPolarHBondContact O-CB 3.24Å; E683-E686 PolarHBondContact O-N 3.41Å; T684-E686 VanDerWaalsContact C-N 3.34Å; E686-R688 VanDerWaalsContact C-N 3.3Å; E686-R688 PolarHBondContact O-N 2.93Å; E686-L689 WeakPolarHBondContact O-CB 3.41Å; E686-L689 PolarHBondContact O-N 2.87Å; E686-D690 PolarHBondContact O-N 2.7Å
687	H	94.6	Very high	92.1	Very high	113 Å²	113	57.2 Å²	57.2	52%	0.523	29%	0.29	S	S	.	.	H	α-helix	trans	-60.6	-37.6	175.4	-66	-50.2	0	0	0	113.4	E683 L689 S691	E683-H687 PolarHBondContact O-CD2 3.32Å; E683-H687 VanDerWaalsContact O-CD2 3.25Å; E683-H687 PolarHBondContact O-N 3.46Å; H687-L689 VanDerWaalsContact C-N 3.34Å; H687-S691 WeakPolarHBondContact O-CB 3.35Å; H687-S691 PolarHBondContact O-N 3.33Å; H687-S691 PolarHBondContact O-OG 2.67Å
688	R	94.3	Very high	91.9	Very high	66 Å²	66	55 Å²	55	25%	0.249	28%	0.281	C	S	.	.	H	α-helix	trans	-64.6	-39.9	173.9	-79.1	178.2	-179.6	-152.1	-4.8	111.7	T684 M685 E686 S691 G692 Y693 Y694 D703	T684-R688 WeakPolarHBondContact O-CB 3.15Å; T684-R688 WeakPolarHBondContact O-CG 3.28Å; T684-R688 PolarHBondContact O-N 3.09Å; M685-R688 PolarHBondContact O-N 3.25Å; E686-R688 VanDerWaalsContact C-N 3.3Å; E686-R688 PolarHBondContact O-N 2.93Å; R688-S691 WeakPolarHBondContact CA-OG 3.33Å; R688-S691 PolarHBondContact O-OG 3.32Å; R688-S691 VanDerWaalsContact O-OG 3.06Å; R688-G692 PolarHBondContact O-N 3.46Å; R688-Y693 HydrophobicContact CB-CD1 3.99Å; R688-Y693 HydrophobicContact CB-CG 4.12Å; R688-Y693 HydrophobicContact CG-CD1 4.01Å; R688-Y693 HydrophobicContact CG-CG 4.06Å; R688-Y693 WeakPolarHBondContact O-CB 3.36Å; R688-Y693 PolarHBondContact O-N 3.36Å; R688-Y694 HydrophobicContact CB-CD2 4.41Å; R688-Y694 HydrophobicContact CB-CE1 4.39Å; R688-Y694 HydrophobicContact CB-CE2 3.62Å; R688-D703 WeakPolarHBondContact CD-OD2 3.48Å; R688-D703 IonicContact CZ-OD2 2.65Å; R688-D703 IonicContact NE-OD2 3.26Å; R688-D703 IonicContact NH1-OD1 2.9Å; R688-D703 PolarHBondContact NH1-OD1 3.17Å; R688-D703 IonicContact NH1-OD2 2.98Å; R688-D703 PolarHBondContact NH1-OD2 2.9Å
689	L	92.6	Very high	91.8	Very high	5 Å²	5	50 Å²	50	3%	0.026	27%	0.266	C	S	.	.	H	α-helix	trans	-66.3	-45.7	178.2	-173.4	59.9	0	0	0	111.3	F641 L644 K645 L648 M685 E686 H687 S691 G692 Y694	F641-L689 HydrophobicContact CD1-CD1 3.93Å; F641-L689 HydrophobicContact CE1-CD1 4.39Å; L644-L689 HydrophobicContact CB-CD1 3.73Å; L644-L689 HydrophobicContact CB-CD2 4.33Å; L644-L689 HydrophobicContact CD1-CD1 4.07Å; K645-L689 HydrophobicContact CB-CD2 4.22Å; K645-L689 HydrophobicContact CG-CD2 3.52Å; K645-L689 HydrophobicContact CG-CG 4.15Å; L648-L689 HydrophobicContact CB-CD2 4.44Å; L648-L689 HydrophobicContact CD2-CD2 3.95Å; M685-L689 WeakPolarHBondContact O-CB 3.32Å; M685-L689 PolarHBondContact O-N 3.3Å; E686-L689 WeakPolarHBondContact O-CB 3.41Å; E686-L689 PolarHBondContact O-N 2.87Å; H687-L689 VanDerWaalsContact C-N 3.34Å; L689-S691 VanDerWaalsContact C-N 3.32Å; L689-S691 PolarHBondContact O-N 2.8Å; L689-G692 PolarHBondContact O-N 2.96Å; L689-G692 VanDerWaalsContact O-N 3.13Å; L689-Y694 HydrophobicContact CB-CD2 3.86Å; L689-Y694 HydrophobicContact CB-CE2 3.9Å; L689-Y694 HydrophobicContact CD1-CD2 3.75Å; L689-Y694 HydrophobicContact CG-CD2 4.4Å
690	D	90.5	Very high	91.8	Very high	110 Å²	110	47.4 Å²	47.4	59%	0.588	25%	0.249	S	C	*	.	H	α-helix	trans	-67.2	-31.4	179.8	-70.3	-22.5	0	0	0	113.2	E686 G692	E686-D690 PolarHBondContact O-N 2.7Å; D690-G692 PolarHBondContact O-N 3Å
691	S	88.6	Confident	91.7	Very high	90 Å²	90	50.4 Å²	50.4	63%	0.629	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.5	-1.9	175.2	57.4	0	0	0	0	114.1	H687 R688 L689 Y693	H687-S691 WeakPolarHBondContact O-CB 3.35Å; H687-S691 PolarHBondContact O-N 3.33Å; H687-S691 PolarHBondContact O-OG 2.67Å; R688-S691 WeakPolarHBondContact CA-OG 3.33Å; R688-S691 PolarHBondContact O-OG 3.32Å; R688-S691 VanDerWaalsContact O-OG 3.06Å; L689-S691 VanDerWaalsContact C-N 3.32Å; L689-S691 PolarHBondContact O-N 2.8Å; S691-Y693 VanDerWaalsContact C-N 3.32Å
692	G	85.5	Confident	91.5	Very high	34 Å²	34	52.2 Å²	52.2	35%	0.351	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.3	17.2	-177.8	0	0	0	0	0	114.3	R688 L689 D690 Y694	R688-G692 PolarHBondContact O-N 3.46Å; L689-G692 PolarHBondContact O-N 2.96Å; L689-G692 VanDerWaalsContact O-N 3.13Å; D690-G692 PolarHBondContact O-N 3Å; G692-Y694 VanDerWaalsContact C-N 3.26Å; G692-Y694 PolarHBondContact O-N 3.45Å
693	Y	88.3	Confident	91.4	Very high	72 Å²	72	52.3 Å²	52.3	28%	0.282	28%	0.278	S	S	.	.			trans	-60	-35.2	-179.4	178.4	-95.8	0	0	0	112.7	R688 S691 C695	R688-Y693 HydrophobicContact CB-CD1 3.99Å; R688-Y693 HydrophobicContact CB-CG 4.12Å; R688-Y693 HydrophobicContact CG-CD1 4.01Å; R688-Y693 HydrophobicContact CG-CG 4.06Å; R688-Y693 WeakPolarHBondContact O-CB 3.36Å; R688-Y693 PolarHBondContact O-N 3.36Å; S691-Y693 VanDerWaalsContact C-N 3.32Å; Y693-C695 PolarHBondContact O-N 3.02Å
694	Y	90.1	Very high	91.4	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	26%	0.262	C	S	.	.			trans	-82.9	58.3	179.3	-55.2	-59.2	0	0	0	112.4	M685 R688 L689 G692 H696 L699 F700 D703	M685-Y694 WeakPolarHBondContact CA-OH 3.34Å; M685-Y694 WeakPolarHBondContact CB-OH 3.31Å; M685-Y694 VanDerWaalsContact CG-OH 3.31Å; M685-Y694 WeakPolarHBondContact CG-OH 3.31Å; M685-Y694 WeakPolarHBondContact O-CE2 3.3Å; R688-Y694 HydrophobicContact CB-CD2 4.41Å; R688-Y694 HydrophobicContact CB-CE1 4.39Å; R688-Y694 HydrophobicContact CB-CE2 3.62Å; L689-Y694 HydrophobicContact CB-CD2 3.86Å; L689-Y694 HydrophobicContact CB-CE2 3.9Å; L689-Y694 HydrophobicContact CD1-CD2 3.75Å; L689-Y694 HydrophobicContact CG-CD2 4.4Å; G692-Y694 VanDerWaalsContact C-N 3.26Å; G692-Y694 PolarHBondContact O-N 3.45Å; Y694-H696 PolarHBondContact O-N 2.93Å; Y694-L699 HydrophobicContact CD1-CB 3.84Å; Y694-F700 HydrophobicContact CD1-CB 3.91Å; Y694-F700 VanDerWaalsContact CD1-N 3.34Å; Y694-F700 HydrophobicContact CD2-CB 4.37Å; Y694-F700 AromaticContact CD2-CD2 3.77Å; Y694-F700 HydrophobicContact CD2-CD2 3.77Å; Y694-F700 HydrophobicContact CE1-CB 4.24Å; Y694-F700 HydrophobicContact CE1-CD2 4.44Å; Y694-F700 AromaticContact CE2-CD2 3.63Å; Y694-F700 HydrophobicContact CE2-CD2 3.63Å; Y694-F700 HydrophobicContact CE2-CE2 4.32Å; Y694-F700 HydrophobicContact CG-CB 3.97Å; Y694-F700 HydrophobicContact CG-CD2 4.23Å; Y694-F700 AromaticContact CZ-CD2 3.98Å; Y694-D703 HydrophobicContact CE1-CB 4.26Å; Y694-D703 WeakPolarHBondContact CE1-OD2 3.21Å; Y694-D703 PolarHBondContact OH-OD2 2.96Å; Y694-D703 VanDerWaalsContact OH-OD2 3.07Å
695	C	82.9	Confident	91.4	Very high	61 Å²	61	49.1 Å²	49.1	41%	0.412	26%	0.26	S	S	.	.	S	Bend	trans	-61	-9.3	176.5	62.7	0	0	0	0	114.3	A636 Y693	A636-C695 WeakPolarHBondContact CB-O 3.28Å; A636-C695 PolarHBondContact N-O 3.37Å; Y693-C695 PolarHBondContact O-N 3.02Å
696	H	83.7	Confident	91.4	Very high	42 Å²	42	52.3 Å²	52.3	19%	0.194	27%	0.273	C	S	.	.	S	Bend	trans	-139.6	133.3	168	-172.8	-25.8	0	0	0	108.4	Y694 K698 L699	Y694-H696 PolarHBondContact O-N 2.93Å; H696-K698 VanDerWaalsContact CE1-CD 3.5Å; H696-K698 WeakPolarHBondContact CE1-CD 3.19Å; H696-K698 PolarHBondContact ND1-N 3.49Å; H696-K698 PolarHBondContact O-N 3.41Å; H696-L699 HydrophobicContact CB-CG 4.49Å; H696-L699 WeakPolarHBondContact O-CB 3.5Å; H696-L699 PolarHBondContact O-N 3.25Å
697	P	87.6	Confident	91.5	Very high	5 Å²	5	49 Å²	49	3%	0.032	26%	0.257	C	S	.	.	H	α-helix	trans	-50.7	-31.2	178.4	-32.1	34.9	0	0	0	115	D640 L644 L699 F700 K701 W736 M740	D640-P697 HydrophobicContact CB-CG 4.07Å; L644-P697 HydrophobicContact CD2-CB 4.47Å; P697-L699 PolarHBondContact O-N 3.37Å; P697-F700 WeakPolarHBondContact O-CB 3.39Å; P697-F700 PolarHBondContact O-N 3.5Å; P697-F700 VanDerWaalsContact O-N 3.13Å; P697-K701 PolarHBondContact O-N 3.29Å; P697-K701 VanDerWaalsContact O-N 3.16Å; P697-W736 HydrophobicContact CB-CH2 3.72Å; P697-W736 HydrophobicContact CB-CZ2 4.38Å; P697-W736 WeakPolarHBondContact O-CH2 3.18Å; P697-M740 HydrophobicContact CB-SD 4.21Å
698	K	87	Confident	91.5	Very high	126 Å²	126	43.7 Å²	43.7	55%	0.548	23%	0.233	S	C	.	.	H	α-helix	trans	-60.3	-28.3	177.3	-71	176.6	-173.1	158.5	0	113.3	H696 A702	H696-K698 VanDerWaalsContact CE1-CD 3.5Å; H696-K698 WeakPolarHBondContact CE1-CD 3.19Å; H696-K698 PolarHBondContact ND1-N 3.49Å; H696-K698 PolarHBondContact O-N 3.41Å; K698-A702 WeakPolarHBondContact O-CB 3.44Å; K698-A702 PolarHBondContact O-N 3.41Å
699	L	89.8	Confident	91.6	Very high	65 Å²	65	44.4 Å²	44.4	34%	0.34	24%	0.241	S	C	.	.	H	α-helix	trans	-67.4	-43.2	175.5	-64.9	174.8	0	0	0	111.1	Y694 H696 P697 A702 D703	Y694-L699 HydrophobicContact CD1-CB 3.84Å; H696-L699 HydrophobicContact CB-CG 4.49Å; H696-L699 WeakPolarHBondContact O-CB 3.5Å; H696-L699 PolarHBondContact O-N 3.25Å; P697-L699 PolarHBondContact O-N 3.37Å; L699-A702 WeakPolarHBondContact O-CB 3.4Å; L699-A702 PolarHBondContact O-N 2.97Å; L699-D703 PolarHBondContact O-N 3.19Å
700	F	94	Very high	91.7	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-60	-47.9	174.8	-176.6	-87.6	0	0	0	110.8	L644 L647 L648 L651 M685 Y694 P697 A702 D703 V704 F732 W736	L644-F700 HydrophobicContact CD1-CB 4.32Å; L644-F700 HydrophobicContact CD2-CB 3.67Å; L644-F700 HydrophobicContact CD2-CD1 3.74Å; L644-F700 HydrophobicContact CD2-CD2 4.08Å; L644-F700 HydrophobicContact CD2-CE1 4.37Å; L644-F700 HydrophobicContact CD2-CG 3.58Å; L647-F700 HydrophobicContact CB-CE1 4.33Å; L647-F700 HydrophobicContact CB-CZ 4.48Å; L648-F700 HydrophobicContact CB-CE2 4.2Å; L648-F700 HydrophobicContact CB-CZ 4.04Å; L648-F700 HydrophobicContact CD1-CE2 4.17Å; L648-F700 HydrophobicContact CD1-CZ 4.11Å; L651-F700 HydrophobicContact CD1-CE1 4.34Å; L651-F700 HydrophobicContact CD1-CZ 4.36Å; M685-F700 HydrophobicContact CE-CD1 4.24Å; M685-F700 HydrophobicContact CE-CD2 3.68Å; M685-F700 HydrophobicContact CE-CE1 4.12Å; M685-F700 HydrophobicContact CE-CE2 3.55Å; M685-F700 HydrophobicContact CE-CG 4.03Å; M685-F700 HydrophobicContact CE-CZ 3.79Å; Y694-F700 HydrophobicContact CD1-CB 3.91Å; Y694-F700 VanDerWaalsContact CD1-N 3.34Å; Y694-F700 HydrophobicContact CD2-CB 4.37Å; Y694-F700 AromaticContact CD2-CD2 3.77Å; Y694-F700 HydrophobicContact CD2-CD2 3.77Å; Y694-F700 HydrophobicContact CE1-CB 4.24Å; Y694-F700 HydrophobicContact CE1-CD2 4.44Å; Y694-F700 AromaticContact CE2-CD2 3.63Å; Y694-F700 HydrophobicContact CE2-CD2 3.63Å; Y694-F700 HydrophobicContact CE2-CE2 4.32Å; Y694-F700 HydrophobicContact CG-CB 3.97Å; Y694-F700 HydrophobicContact CG-CD2 4.23Å; Y694-F700 AromaticContact CZ-CD2 3.98Å; P697-F700 WeakPolarHBondContact O-CB 3.39Å; P697-F700 PolarHBondContact O-N 3.5Å; P697-F700 VanDerWaalsContact O-N 3.13Å; F700-A702 VanDerWaalsContact C-N 3.27Å; F700-A702 PolarHBondContact O-N 3.32Å; F700-D703 PolarHBondContact O-N 3.43Å; F700-V704 HydrophobicContact CD1-CG2 3.97Å; F700-V704 HydrophobicContact CE1-CG2 3.69Å; F700-V704 HydrophobicContact CZ-CG2 4.29Å; F700-V704 WeakPolarHBondContact O-CG2 3.39Å; F700-V704 PolarHBondContact O-N 2.88Å; F700-F732 HydrophobicContact CD1-CE2 4.41Å; F700-F732 HydrophobicContact CE1-CE2 4.07Å; F700-W736 HydrophobicContact CD1-CZ3 4.16Å
701	K	94.1	Very high	92	Very high	72 Å²	72	40.2 Å²	40.2	31%	0.313	22%	0.22	S	C	.	.	H	α-helix	trans	-56	-42.4	175.5	-174.1	-179.4	-175.2	170.2	0	112.1	P697 V704 M705 F732 W736	P697-K701 PolarHBondContact O-N 3.29Å; P697-K701 VanDerWaalsContact O-N 3.16Å; K701-V704 PolarHBondContact O-N 2.95Å; K701-M705 HydrophobicContact CG-CG 4.46Å; K701-M705 VanDerWaalsContact O-CG 3.27Å; K701-M705 WeakPolarHBondContact O-CG 3.46Å; K701-M705 PolarHBondContact O-N 3.5Å; K701-F732 HydrophobicContact CB-CZ 4.23Å; K701-F732 HydrophobicContact CG-CE1 3.9Å; K701-F732 HydrophobicContact CG-CZ 4Å; K701-W736 HydrophobicContact CB-CD2 4.47Å; K701-W736 HydrophobicContact CB-CE3 4.31Å; K701-W736 HydrophobicContact CB-CH2 3.86Å; K701-W736 HydrophobicContact CB-CZ2 4.01Å; K701-W736 HydrophobicContact CB-CZ3 4Å; K701-W736 HydrophobicContact CD-CD2 4.2Å; K701-W736 HydrophobicContact CD-CZ2 4.02Å; K701-W736 HydrophobicContact CG-CD2 4.4Å; K701-W736 HydrophobicContact CG-CZ2 4.48Å
702	A	93.7	Very high	92.3	Very high	48 Å²	48	38.2 Å²	38.2	40%	0.397	20%	0.198	S	C	.	.	H	α-helix	trans	-64.5	-40	179.5	0	0	0	0	0	112.5	K698 L699 F700 R706	K698-A702 WeakPolarHBondContact O-CB 3.44Å; K698-A702 PolarHBondContact O-N 3.41Å; L699-A702 WeakPolarHBondContact O-CB 3.4Å; L699-A702 PolarHBondContact O-N 2.97Å; F700-A702 VanDerWaalsContact C-N 3.27Å; F700-A702 PolarHBondContact O-N 3.32Å; A702-R706 WeakPolarHBondContact O-CB 3.3Å; A702-R706 PolarHBondContact O-N 2.94Å
703	D	96.4	Very high	92.7	Very high	3 Å²	3	45.1 Å²	45.1	2%	0.016	21%	0.214	C	C	.	.	H	α-helix	trans	-64.4	-44.8	174.9	-83.5	11.2	0	0	0	111.5	I680 M685 R688 Y694 L699 F700 M705 R706 M707	I680-D703 HydrophobicContact CG1-CB 4.23Å; M685-D703 HydrophobicContact CE-CB 3.8Å; M685-D703 HydrophobicContact CG-CB 4.25Å; M685-D703 HydrophobicContact SD-CB 4.09Å; R688-D703 WeakPolarHBondContact CD-OD2 3.48Å; R688-D703 IonicContact CZ-OD2 2.65Å; R688-D703 IonicContact NE-OD2 3.26Å; R688-D703 IonicContact NH1-OD1 2.9Å; R688-D703 PolarHBondContact NH1-OD1 3.17Å; R688-D703 IonicContact NH1-OD2 2.98Å; R688-D703 PolarHBondContact NH1-OD2 2.9Å; Y694-D703 HydrophobicContact CE1-CB 4.26Å; Y694-D703 WeakPolarHBondContact CE1-OD2 3.21Å; Y694-D703 PolarHBondContact OH-OD2 2.96Å; Y694-D703 VanDerWaalsContact OH-OD2 3.07Å; L699-D703 PolarHBondContact O-N 3.19Å; F700-D703 PolarHBondContact O-N 3.43Å; D703-M705 PolarHBondContact O-N 3.08Å; D703-R706 PolarHBondContact O-N 2.91Å; D703-R706 IonicContact OD1-CZ 2.74Å; D703-R706 IonicContact OD1-NH1 3.9Å; D703-R706 PolarHBondContact OD1-NH1 2.98Å; D703-R706 IonicContact OD1-NH2 3.08Å; D703-R706 PolarHBondContact OD1-NH2 2.96Å; D703-R706 IonicContact OD2-NH1 3.74Å; D703-M707 PolarHBondContact O-N 3.19Å
704	V	96.2	Very high	93	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-59.9	-47.1	176.2	-179.4	0	0	0	0	111.2	L651 M685 F700 K701 R706 M707 M708 F732	L651-V704 HydrophobicContact CD1-CG1 4.41Å; L651-V704 HydrophobicContact CD1-CG2 4Å; M685-V704 HydrophobicContact CE-CB 4.45Å; M685-V704 HydrophobicContact CE-CG2 3.35Å; M685-V704 HydrophobicContact SD-CG2 4.01Å; F700-V704 HydrophobicContact CD1-CG2 3.97Å; F700-V704 HydrophobicContact CE1-CG2 3.69Å; F700-V704 HydrophobicContact CZ-CG2 4.29Å; F700-V704 WeakPolarHBondContact O-CG2 3.39Å; F700-V704 PolarHBondContact O-N 2.88Å; K701-V704 PolarHBondContact O-N 2.95Å; V704-R706 VanDerWaalsContact C-N 3.34Å; V704-R706 PolarHBondContact O-N 3.26Å; V704-M707 VanDerWaalsContact O-CB 3.29Å; V704-M707 WeakPolarHBondContact O-CB 3.49Å; V704-M707 PolarHBondContact O-N 3.34Å; V704-M708 HydrophobicContact CG1-CE 3.85Å; V704-M708 WeakPolarHBondContact O-CG 3.39Å; V704-M708 PolarHBondContact O-N 3.1Å; V704-F732 HydrophobicContact CB-CD1 4.16Å; V704-F732 HydrophobicContact CB-CD2 4.5Å; V704-F732 HydrophobicContact CB-CE1 3.86Å; V704-F732 HydrophobicContact CB-CE2 4.23Å; V704-F732 HydrophobicContact CB-CG 4.46Å; V704-F732 HydrophobicContact CB-CZ 3.91Å; V704-F732 HydrophobicContact CG1-CB 4.22Å; V704-F732 HydrophobicContact CG1-CD1 3.52Å; V704-F732 HydrophobicContact CG1-CD2 3.91Å; V704-F732 HydrophobicContact CG1-CE1 3.76Å; V704-F732 HydrophobicContact CG1-CE2 4.15Å; V704-F732 HydrophobicContact CG1-CG 3.59Å; V704-F732 HydrophobicContact CG1-CZ 4.08Å; V704-F732 HydrophobicContact CG2-CD2 4.31Å; V704-F732 HydrophobicContact CG2-CE1 4.39Å; V704-F732 HydrophobicContact CG2-CE2 3.89Å; V704-F732 HydrophobicContact CG2-CZ 3.93Å
705	M	96.3	Very high	93.2	Very high	48 Å²	48	46.3 Å²	46.3	24%	0.236	22%	0.222	C	C	.	.	H	α-helix	trans	-63.6	-41.1	179.5	-66.9	-60.8	-61.5	0	0	111.7	K701 D703 M707 M708 D709 E729 L733	K701-M705 HydrophobicContact CG-CG 4.46Å; K701-M705 VanDerWaalsContact O-CG 3.27Å; K701-M705 WeakPolarHBondContact O-CG 3.46Å; K701-M705 PolarHBondContact O-N 3.5Å; D703-M705 PolarHBondContact O-N 3.08Å; M705-M707 VanDerWaalsContact C-N 3.3Å; M705-M707 PolarHBondContact O-N 2.92Å; M705-M708 PolarHBondContact O-N 3.38Å; M705-D709 PolarHBondContact O-N 3.29Å; M705-E729 HydrophobicContact CE-CG 4.37Å; M705-E729 WeakPolarHBondContact CE-OE1 3.28Å; M705-E729 HydrophobicContact SD-CG 4.19Å; M705-L733 HydrophobicContact SD-CD2 4.33Å
706	R	97.4	Very high	93.5	Very high	67 Å²	67	49.1 Å²	49.1	25%	0.253	23%	0.229	S	C	.	.	H	α-helix	trans	-60.3	-40.9	175.8	-170	-167.5	-46.6	120.6	13.7	111.8	Y678 I680 A702 D703 V704 M708 D709 N710	Y678-R706 VanDerWaalsContact O-CD 3.31Å; Y678-R706 WeakPolarHBondContact O-CD 3.38Å; I680-R706 HydrophobicContact CG2-CB 4.22Å; I680-R706 HydrophobicContact CG2-CG 4.28Å; A702-R706 WeakPolarHBondContact O-CB 3.3Å; A702-R706 PolarHBondContact O-N 2.94Å; D703-R706 PolarHBondContact O-N 2.91Å; D703-R706 IonicContact OD1-CZ 2.74Å; D703-R706 IonicContact OD1-NH1 3.9Å; D703-R706 PolarHBondContact OD1-NH1 2.98Å; D703-R706 IonicContact OD1-NH2 3.08Å; D703-R706 PolarHBondContact OD1-NH2 2.96Å; D703-R706 IonicContact OD2-NH1 3.74Å; V704-R706 VanDerWaalsContact C-N 3.34Å; V704-R706 PolarHBondContact O-N 3.26Å; R706-M708 VanDerWaalsContact C-N 3.32Å; R706-M708 PolarHBondContact O-N 3.19Å; R706-D709 PolarHBondContact O-N 3.15Å; R706-N710 VanDerWaalsContact O-CB 3.29Å; R706-N710 WeakPolarHBondContact O-CB 3.45Å; R706-N710 PolarHBondContact O-N 3.2Å; R706-N710 PolarHBondContact O-ND2 3.41Å
707	M	97	Very high	93.9	Very high	3 Å²	3	51 Å²	51	2%	0.015	24%	0.243	C	C	.	.	H	α-helix	trans	-56.2	-47.1	176.1	-167.4	176.4	68.5	0	0	111.6	F660 I680 L682 D703 V704 M705 C711 L728	F660-M707 HydrophobicContact CB-CE 4Å; F660-M707 HydrophobicContact CB-CG 4.46Å; F660-M707 HydrophobicContact CB-SD 3.7Å; F660-M707 HydrophobicContact CD1-CE 4.1Å; F660-M707 HydrophobicContact CD1-CG 3.57Å; F660-M707 HydrophobicContact CD1-SD 3.91Å; F660-M707 HydrophobicContact CE1-CG 4.17Å; F660-M707 HydrophobicContact CG-CE 4.01Å; F660-M707 HydrophobicContact CG-CG 4.31Å; F660-M707 HydrophobicContact CG-SD 4.06Å; I680-M707 HydrophobicContact CG2-CB 3.71Å; I680-M707 HydrophobicContact CG2-CG 4.28Å; L682-M707 HydrophobicContact CD2-CE 3.94Å; L682-M707 HydrophobicContact CD2-SD 4.07Å; L682-M707 HydrophobicContact CG-CE 4.2Å; L682-M707 HydrophobicContact CG-SD 3.98Å; D703-M707 PolarHBondContact O-N 3.19Å; V704-M707 VanDerWaalsContact O-CB 3.29Å; V704-M707 WeakPolarHBondContact O-CB 3.49Å; V704-M707 PolarHBondContact O-N 3.34Å; M705-M707 VanDerWaalsContact C-N 3.3Å; M705-M707 PolarHBondContact O-N 2.92Å; M707-C711 PolarHBondContact O-N 2.98Å; M707-C711 VanDerWaalsContact O-N 3.17Å; M707-L728 HydrophobicContact CE-CD2 4.1Å
708	M	96	Very high	94.1	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-68	-42.7	179	-52.5	-54.7	172.5	0	0	112	F660 V704 M705 R706 C711 R712 A725 L728 E729	F660-M708 HydrophobicContact CE1-SD 4.41Å; F660-M708 HydrophobicContact CZ-SD 4.16Å; V704-M708 HydrophobicContact CG1-CE 3.85Å; V704-M708 WeakPolarHBondContact O-CG 3.39Å; V704-M708 PolarHBondContact O-N 3.1Å; M705-M708 PolarHBondContact O-N 3.38Å; R706-M708 VanDerWaalsContact C-N 3.32Å; R706-M708 PolarHBondContact O-N 3.19Å; M708-C711 PolarHBondContact O-N 3.24Å; M708-R712 PolarHBondContact O-N 3.45Å; M708-A725 HydrophobicContact CB-CB 4.46Å; M708-A725 HydrophobicContact SD-CB 4.3Å; M708-L728 HydrophobicContact CE-CB 3.75Å; M708-L728 HydrophobicContact CE-CD2 3.54Å; M708-L728 HydrophobicContact CE-CG 3.46Å; M708-L728 VanDerWaalsContact CE-CG 3.46Å; M708-L728 HydrophobicContact SD-CB 4.11Å; M708-L728 HydrophobicContact SD-CD2 4.24Å; M708-L728 HydrophobicContact SD-CG 4.37Å; M708-E729 HydrophobicContact CG-CB 3.98Å; M708-E729 HydrophobicContact CG-CG 4.48Å
709	D	95.6	Very high	94.4	Very high	81 Å²	81	51.2 Å²	51.2	43%	0.433	26%	0.255	S	S	.	.	H	α-helix	trans	-65.2	-42.6	178.9	-76.9	-23.6	0	0	0	111.9	M705 R706 C711 R712 R713	M705-D709 PolarHBondContact O-N 3.29Å; R706-D709 PolarHBondContact O-N 3.15Å; D709-C711 VanDerWaalsContact C-N 3.31Å; D709-C711 PolarHBondContact O-N 3.45Å; D709-R712 PolarHBondContact O-N 2.99Å; D709-R712 IonicContact OD1-CZ 3.94Å; D709-R712 IonicContact OD1-NE 3.2Å; D709-R712 IonicContact OD1-NH2 2.57Å; D709-R712 PolarHBondContact OD1-NH2 3.33Å; D709-R713 WeakPolarHBondContact O-CB 3.49Å; D709-R713 PolarHBondContact O-N 3Å
710	N	95.9	Very high	94.7	Very high	17 Å²	17	54.2 Å²	54.2	9%	0.091	27%	0.266	C	S	.	.	H	α-helix	trans	-57.3	-46.7	174.1	-75.3	-13.6	0	0	0	110.7	I676 Y678 R706 R713 F714	I676-N710 HydrophobicContact CD1-CB 4.27Å; I676-N710 HydrophobicContact CG2-CB 4Å; Y678-N710 PolarHBondContact O-ND2 3.16Å; R706-N710 VanDerWaalsContact O-CB 3.29Å; R706-N710 WeakPolarHBondContact O-CB 3.45Å; R706-N710 PolarHBondContact O-N 3.2Å; R706-N710 PolarHBondContact O-ND2 3.41Å; N710-R713 PolarHBondContact O-N 3.1Å; N710-F714 WeakPolarHBondContact O-CB 3.44Å; N710-F714 PolarHBondContact O-N 2.81Å
711	C	96	Very high	94.7	Very high	10 Å²	10	58.3 Å²	58.3	7%	0.068	28%	0.282	C	S	.	.	H	α-helix	trans	-63	-45.7	178.7	-178.2	0	0	0	0	112.4	F660 M707 M708 D709 R713 F714 N715 Y721 A725	F660-C711 HydrophobicContact CE1-CB 3.67Å; F660-C711 HydrophobicContact CZ-CB 4.1Å; M707-C711 PolarHBondContact O-N 2.98Å; M707-C711 VanDerWaalsContact O-N 3.17Å; M708-C711 PolarHBondContact O-N 3.24Å; D709-C711 VanDerWaalsContact C-N 3.31Å; D709-C711 PolarHBondContact O-N 3.45Å; C711-R713 VanDerWaalsContact C-N 3.32Å; C711-R713 PolarHBondContact O-N 3.43Å; C711-F714 PolarHBondContact O-N 3.16Å; C711-N715 VanDerWaalsContact O-CB 3.27Å; C711-N715 WeakPolarHBondContact O-CB 3.45Å; C711-N715 PolarHBondContact O-N 2.78Å; C711-N715 PolarHBondContact O-ND2 3.34Å; C711-Y721 PolarHBondContact SG-O 2.93Å; C711-Y721 VanDerWaalsContact SG-O 3.41Å; C711-A725 HydrophobicContact CB-CB 4.08Å
712	R	96	Very high	94.8	Very high	48 Å²	48	57.8 Å²	57.8	18%	0.181	28%	0.278	C	S	.	.	H	α-helix	trans	-66.4	-32.4	176.3	-75.7	-168.7	-73.4	-94.6	8.1	113.8	M708 D709 N715 Y722 A725 E729	M708-R712 PolarHBondContact O-N 3.45Å; D709-R712 PolarHBondContact O-N 2.99Å; D709-R712 IonicContact OD1-CZ 3.94Å; D709-R712 IonicContact OD1-NE 3.2Å; D709-R712 IonicContact OD1-NH2 2.57Å; D709-R712 PolarHBondContact OD1-NH2 3.33Å; R712-N715 VanDerWaalsContact O-O 3.05Å; R712-Y722 HydrophobicContact CB-CD2 3.98Å; R712-Y722 HydrophobicContact CB-CE2 3.6Å; R712-Y722 HydrophobicContact CG-CD2 3.79Å; R712-Y722 HydrophobicContact CG-CE1 4.25Å; R712-Y722 HydrophobicContact CG-CE2 3.48Å; R712-Y722 VanDerWaalsContact CG-CE2 3.48Å; R712-Y722 HydrophobicContact CG-CG 4.29Å; R712-A725 HydrophobicContact CG-CB 4.26Å; R712-E729 IonicContact CZ-OE2 2.65Å; R712-E729 IonicContact NH1-OE2 2.87Å; R712-E729 PolarHBondContact NH1-OE2 2.99Å; R712-E729 IonicContact NH2-OE2 3.62Å; R712-E729 PolarHBondContact NH2-OE2 3.44Å
713	R	93.6	Very high	94.9	Very high	179 Å²	179	62 Å²	62	68%	0.675	29%	0.287	S	S	*	.	H	α-helix	trans	-71.1	-40.5	179.8	-173.6	179.1	177.2	124.1	2.6	110.9	F675 I676 D709 N710 C711	F675-R713 HydrophobicContact CE1-CG 3.87Å; F675-R713 WeakPolarHBondContact CE1-O 3.36Å; I676-R713 HydrophobicContact CD1-CB 4.27Å; I676-R713 HydrophobicContact CD1-CG 4.35Å; D709-R713 WeakPolarHBondContact O-CB 3.49Å; D709-R713 PolarHBondContact O-N 3Å; N710-R713 PolarHBondContact O-N 3.1Å; C711-R713 VanDerWaalsContact C-N 3.32Å; C711-R713 PolarHBondContact O-N 3.43Å
714	F	94.5	Very high	94.9	Very high	63 Å²	63	62.1 Å²	62.1	28%	0.276	29%	0.289	S	S	.	.	H	α-helix	trans	-79.5	-37	179.8	-167.6	-98.2	0	0	0	113	V669 Y672 F675 I676 N710 C711	V669-F714 HydrophobicContact CG1-CE1 3.47Å; V669-F714 VanDerWaalsContact CG1-CE1 3.47Å; V669-F714 HydrophobicContact CG1-CE2 4.5Å; V669-F714 HydrophobicContact CG1-CZ 3.39Å; Y672-F714 HydrophobicContact CD2-CB 4.46Å; Y672-F714 AromaticContact CD2-CD1 3.98Å; Y672-F714 HydrophobicContact CD2-CD1 3.98Å; Y672-F714 AromaticContact CD2-CD2 3.84Å; Y672-F714 HydrophobicContact CD2-CD2 3.84Å; Y672-F714 HydrophobicContact CD2-CE1 4.16Å; Y672-F714 HydrophobicContact CD2-CE2 4.04Å; Y672-F714 AromaticContact CD2-CG 3.82Å; Y672-F714 HydrophobicContact CD2-CG 3.82Å; Y672-F714 HydrophobicContact CD2-CZ 4.2Å; Y672-F714 HydrophobicContact CE2-CB 4.28Å; Y672-F714 HydrophobicContact CE2-CD1 4.41Å; Y672-F714 HydrophobicContact CE2-CD2 4.43Å; Y672-F714 HydrophobicContact CE2-CG 4.12Å; F675-F714 HydrophobicContact CB-CD2 4.05Å; F675-F714 HydrophobicContact CB-CE2 4.13Å; F675-F714 AromaticContact CD1-CD2 3.83Å; F675-F714 HydrophobicContact CD1-CD2 3.83Å; F675-F714 HydrophobicContact CG-CD2 4.2Å; I676-F714 HydrophobicContact CD1-CB 4.25Å; I676-F714 HydrophobicContact CG1-CB 4.3Å; I676-F714 HydrophobicContact CG1-CD2 4.3Å; N710-F714 WeakPolarHBondContact O-CB 3.44Å; N710-F714 PolarHBondContact O-N 2.81Å; C711-F714 PolarHBondContact O-N 3.16Å
715	N	92.9	Very high	94.9	Very high	35 Å²	35	62.1 Å²	62.1	19%	0.187	29%	0.289	C	S	.	.	S	Bend	trans	-102.3	145.9	-171.4	-64.7	-81.3	0	0	0	113.4	C711 R712 T719 Y722	C711-N715 VanDerWaalsContact O-CB 3.27Å; C711-N715 WeakPolarHBondContact O-CB 3.45Å; C711-N715 PolarHBondContact O-N 2.78Å; C711-N715 PolarHBondContact O-ND2 3.34Å; R712-N715 VanDerWaalsContact O-O 3.05Å; N715-T719 WeakPolarHBondContact CB-OG1 3.46Å; N715-Y722 WeakPolarHBondContact O-CD2 3.29Å
716	H	90.4	Very high	94.9	Very high	119 Å²	119	63.2 Å²	63.2	55%	0.551	30%	0.298	S	S	*	.			trans	-70.3	149.9	174.4	-172.5	-95.1	0	0	0	112.2	T718 T719 Y722	H716-T718 PolarHBondContact ND1-N 2.98Å; H716-T718 PolarHBondContact ND1-OG1 2.83Å; H716-T718 PolarHBondContact O-N 2.78Å; H716-T719 HydrophobicContact CB-CG2 4.04Å; H716-T719 WeakPolarHBondContact O-CB 3.41Å; H716-T719 WeakPolarHBondContact O-CG2 3.36Å; H716-T719 PolarHBondContact O-N 2.83Å; H716-T719 PolarHBondContact O-OG1 2.79Å; H716-Y722 VanDerWaalsContact O-CB 3.28Å; H716-Y722 WeakPolarHBondContact O-CB 3.39Å
717	V	92.4	Very high	94.8	Very high	81 Å²	81	61.8 Å²	61.8	49%	0.491	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-23.8	-176.2	-61.3	0	0	0	0	114.8	Y722	V717-Y722 HydrophobicContact CB-CD1 4.44Å; V717-Y722 HydrophobicContact CB-CD2 4.49Å; V717-Y722 HydrophobicContact CB-CE1 4.38Å; V717-Y722 HydrophobicContact CB-CE2 4.41Å; V717-Y722 HydrophobicContact CG1-CD2 4.21Å; V717-Y722 HydrophobicContact CG1-CE1 4.2Å; V717-Y722 HydrophobicContact CG1-CE2 3.72Å
718	T	90.9	Very high	94.8	Very high	98 Å²	98	61.7 Å²	61.7	60%	0.601	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.1	-13.8	-180	57.2	0	0	0	0	113.8	H716	H716-T718 PolarHBondContact ND1-N 2.98Å; H716-T718 PolarHBondContact ND1-OG1 2.83Å; H716-T718 PolarHBondContact O-N 2.78Å
719	T	93.4	Very high	94.8	Very high	38 Å²	38	63.5 Å²	63.5	23%	0.233	31%	0.309	C	S	.	.	S	Bend	trans	-72.9	154.9	-174.6	64.4	0	0	0	0	112.3	N715 H716 Y721 Y722 K723	N715-T719 WeakPolarHBondContact CB-OG1 3.46Å; H716-T719 HydrophobicContact CB-CG2 4.04Å; H716-T719 WeakPolarHBondContact O-CB 3.41Å; H716-T719 WeakPolarHBondContact O-CG2 3.36Å; H716-T719 PolarHBondContact O-N 2.83Å; H716-T719 PolarHBondContact O-OG1 2.79Å; T719-Y721 PolarHBondContact O-N 2.7Å; T719-Y722 PolarHBondContact O-N 3.17Å; T719-Y722 WeakPolarHBondContact OG1-CB 3.5Å; T719-Y722 PolarHBondContact OG1-N 3.21Å; T719-Y722 VanDerWaalsContact OG1-N 3.17Å; T719-K723 WeakPolarHBondContact O-CG 3.49Å; T719-K723 PolarHBondContact O-N 3.32Å
720	K	95.7	Very high	94.7	Very high	129 Å²	129	67.8 Å²	67.8	56%	0.561	32%	0.323	S	S	*	.	H	α-helix	trans	-59.7	-34	172.3	59	175.3	179.5	164	0	112.5	W658 K723 A724	W658-K720 HydrophobicContact CH2-CD 3.6Å; W658-K720 HydrophobicContact CH2-CG 3.9Å; W658-K720 HydrophobicContact CZ2-CB 4.26Å; W658-K720 HydrophobicContact CZ2-CD 3.72Å; W658-K720 HydrophobicContact CZ2-CG 3.9Å; K720-K723 PolarHBondContact O-N 3Å; K720-A724 WeakPolarHBondContact O-CB 3.34Å; K720-A724 PolarHBondContact O-N 2.89Å
721	Y	95	Very high	94.6	Very high	86 Å²	86	68 Å²	68	34%	0.337	33%	0.327	S	S	.	.	H	α-helix	trans	-64.4	-48.5	178.2	-57.9	-83.6	0	0	0	112.1	W658 P659 C711 T719 K723 A724 A725	W658-Y721 AromaticContact CH2-CD1 3.69Å; W658-Y721 HydrophobicContact CH2-CD1 3.69Å; W658-Y721 AromaticContact CH2-CE1 3.36Å; W658-Y721 HydrophobicContact CH2-CE1 3.36Å; W658-Y721 HydrophobicContact CH2-CE2 4.5Å; W658-Y721 HydrophobicContact CH2-CG 4.39Å; W658-Y721 AromaticContact CH2-CZ 3.81Å; W658-Y721 HydrophobicContact CZ3-CD1 4.16Å; W658-Y721 AromaticContact CZ3-CE1 3.54Å; W658-Y721 HydrophobicContact CZ3-CE1 3.54Å; P659-Y721 HydrophobicContact CB-CD1 3.83Å; P659-Y721 HydrophobicContact CB-CE1 4.23Å; P659-Y721 HydrophobicContact CG-CD1 4.24Å; C711-Y721 PolarHBondContact SG-O 2.93Å; C711-Y721 VanDerWaalsContact SG-O 3.41Å; T719-Y721 PolarHBondContact O-N 2.7Å; Y721-K723 VanDerWaalsContact C-N 3.34Å; Y721-K723 PolarHBondContact O-N 2.78Å; Y721-A724 WeakPolarHBondContact O-CB 3.36Å; Y721-A724 PolarHBondContact O-N 3.44Å; Y721-A725 PolarHBondContact O-N 2.97Å
722	Y	96.7	Very high	94.6	Very high	60 Å²	60	67.5 Å²	67.5	24%	0.235	32%	0.324	C	S	.	.	H	α-helix	trans	-61	-44.8	177.8	-167.7	-73.9	0	0	0	111.5	R712 N715 H716 V717 T719 A724 A725 V726	R712-Y722 HydrophobicContact CB-CD2 3.98Å; R712-Y722 HydrophobicContact CB-CE2 3.6Å; R712-Y722 HydrophobicContact CG-CD2 3.79Å; R712-Y722 HydrophobicContact CG-CE1 4.25Å; R712-Y722 HydrophobicContact CG-CE2 3.48Å; R712-Y722 VanDerWaalsContact CG-CE2 3.48Å; R712-Y722 HydrophobicContact CG-CG 4.29Å; N715-Y722 WeakPolarHBondContact O-CD2 3.29Å; H716-Y722 VanDerWaalsContact O-CB 3.28Å; H716-Y722 WeakPolarHBondContact O-CB 3.39Å; V717-Y722 HydrophobicContact CB-CD1 4.44Å; V717-Y722 HydrophobicContact CB-CD2 4.49Å; V717-Y722 HydrophobicContact CB-CE1 4.38Å; V717-Y722 HydrophobicContact CB-CE2 4.41Å; V717-Y722 HydrophobicContact CG1-CD2 4.21Å; V717-Y722 HydrophobicContact CG1-CE1 4.2Å; V717-Y722 HydrophobicContact CG1-CE2 3.72Å; T719-Y722 PolarHBondContact O-N 3.17Å; T719-Y722 WeakPolarHBondContact OG1-CB 3.5Å; T719-Y722 PolarHBondContact OG1-N 3.21Å; T719-Y722 VanDerWaalsContact OG1-N 3.17Å; Y722-A724 VanDerWaalsContact C-N 3.31Å; Y722-A724 PolarHBondContact O-N 3.19Å; Y722-A725 PolarHBondContact O-N 3.5Å; Y722-V726 HydrophobicContact CD1-CG2 3.94Å; Y722-V726 HydrophobicContact CE1-CG2 3.68Å; Y722-V726 WeakPolarHBondContact O-CG2 3.42Å; Y722-V726 PolarHBondContact O-N 2.72Å; Y722-V726 VanDerWaalsContact O-N 3.14Å
723	K	95.6	Very high	94.5	Very high	136 Å²	136	68.1 Å²	68.1	59%	0.591	33%	0.331	S	S	*	.	H	α-helix	trans	-61.1	-40.8	176.4	-68.4	177.8	-178	178.4	0	111.8	T719 K720 Y721 V726 A727	T719-K723 WeakPolarHBondContact O-CG 3.49Å; T719-K723 PolarHBondContact O-N 3.32Å; K720-K723 PolarHBondContact O-N 3Å; Y721-K723 VanDerWaalsContact C-N 3.34Å; Y721-K723 PolarHBondContact O-N 2.78Å; K723-V726 PolarHBondContact O-N 3.32Å; K723-A727 WeakPolarHBondContact O-CB 3.5Å; K723-A727 PolarHBondContact O-N 3.49Å
724	A	96	Very high	94.3	Very high	6 Å²	6	62.6 Å²	62.6	5%	0.05	32%	0.319	C	S	.	.	H	α-helix	trans	-62.7	-43.3	176.7	0	0	0	0	0	112.1	P659 F660 K720 Y721 Y722 V726 A727 L728	P659-A724 HydrophobicContact CG-CB 3.98Å; F660-A724 HydrophobicContact CE2-CB 4.29Å; K720-A724 WeakPolarHBondContact O-CB 3.34Å; K720-A724 PolarHBondContact O-N 2.89Å; Y721-A724 WeakPolarHBondContact O-CB 3.36Å; Y721-A724 PolarHBondContact O-N 3.44Å; Y722-A724 VanDerWaalsContact C-N 3.31Å; Y722-A724 PolarHBondContact O-N 3.19Å; A724-V726 PolarHBondContact O-N 3.02Å; A724-A727 PolarHBondContact O-N 2.96Å; A724-L728 VanDerWaalsContact O-CB 3.31Å; A724-L728 WeakPolarHBondContact O-CB 2.9Å; A724-L728 PolarHBondContact O-N 3.11Å
725	A	96.8	Very high	94.3	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-59.3	-46	176.1	0	0	0	0	0	112.4	F660 M708 C711 R712 Y721 Y722 L728 E729	F660-A725 HydrophobicContact CZ-CB 3.89Å; M708-A725 HydrophobicContact CB-CB 4.46Å; M708-A725 HydrophobicContact SD-CB 4.3Å; C711-A725 HydrophobicContact CB-CB 4.08Å; R712-A725 HydrophobicContact CG-CB 4.26Å; Y721-A725 PolarHBondContact O-N 2.97Å; Y722-A725 PolarHBondContact O-N 3.5Å; A725-L728 PolarHBondContact O-N 3.32Å; A725-E729 WeakPolarHBondContact O-CB 3.39Å; A725-E729 PolarHBondContact O-N 2.91Å
726	V	95.4	Very high	94.2	Very high	72 Å²	72	60.1 Å²	60.1	44%	0.436	31%	0.308	S	S	.	.	H	α-helix	trans	-63.9	-43.2	178.6	173.9	0	0	0	0	111.5	Y722 K723 A724 K730	Y722-V726 HydrophobicContact CD1-CG2 3.94Å; Y722-V726 HydrophobicContact CE1-CG2 3.68Å; Y722-V726 WeakPolarHBondContact O-CG2 3.42Å; Y722-V726 PolarHBondContact O-N 2.72Å; Y722-V726 VanDerWaalsContact O-N 3.14Å; K723-V726 PolarHBondContact O-N 3.32Å; A724-V726 PolarHBondContact O-N 3.02Å; V726-K730 PolarHBondContact O-N 3.15Å
727	A	95.9	Very high	94	Very high	37 Å²	37	59.3 Å²	59.3	31%	0.306	31%	0.311	S	S	.	.	H	α-helix	trans	-64.7	-45.6	178.8	0	0	0	0	0	111.8	S656 K723 A724 K730 A731	S656-A727 WeakPolarHBondContact OG-CB 3.27Å; K723-A727 WeakPolarHBondContact O-CB 3.5Å; K723-A727 PolarHBondContact O-N 3.49Å; A724-A727 PolarHBondContact O-N 2.96Å; A727-K730 PolarHBondContact O-N 3.03Å; A727-A731 PolarHBondContact O-N 3.02Å; A727-A731 VanDerWaalsContact O-N 3.08Å
728	L	96.2	Very high	93.6	Very high	0 Å²	0	63.1 Å²	63.1	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-69.3	-38	-179	-167.4	62.9	0	0	0	112.1	L651 H654 A657 F660 M707 M708 A724 A725 A731 F732	L651-L728 HydrophobicContact CD2-CD1 3.93Å; L651-L728 HydrophobicContact CD2-CG 4.26Å; H654-L728 HydrophobicContact CB-CD1 3.62Å; H654-L728 WeakPolarHBondContact ND1-CD1 3.44Å; A657-L728 HydrophobicContact CB-CD1 4.42Å; A657-L728 HydrophobicContact CB-CD2 4.38Å; F660-L728 HydrophobicContact CD2-CD2 3.43Å; F660-L728 VanDerWaalsContact CD2-CD2 3.43Å; F660-L728 HydrophobicContact CE2-CD2 3.73Å; F660-L728 HydrophobicContact CG-CD2 4.2Å; M707-L728 HydrophobicContact CE-CD2 4.1Å; M708-L728 HydrophobicContact CE-CB 3.75Å; M708-L728 HydrophobicContact CE-CD2 3.54Å; M708-L728 HydrophobicContact CE-CG 3.46Å; M708-L728 VanDerWaalsContact CE-CG 3.46Å; M708-L728 HydrophobicContact SD-CB 4.11Å; M708-L728 HydrophobicContact SD-CD2 4.24Å; M708-L728 HydrophobicContact SD-CG 4.37Å; A724-L728 VanDerWaalsContact O-CB 3.31Å; A724-L728 WeakPolarHBondContact O-CB 2.9Å; A724-L728 PolarHBondContact O-N 3.11Å; A725-L728 PolarHBondContact O-N 3.32Å; L728-A731 PolarHBondContact O-N 3.4Å; L728-F732 WeakPolarHBondContact O-CB 3.18Å; L728-F732 PolarHBondContact O-N 3.11Å
729	E	96.4	Very high	93.2	Very high	38 Å²	38	60.2 Å²	60.2	18%	0.178	30%	0.3	C	S	.	.	H	α-helix	trans	-60.8	-45.4	173.6	-174.7	179.2	156.7	0	0	111.9	M705 M708 R712 A725 A731 F732 L733	M705-E729 HydrophobicContact CE-CG 4.37Å; M705-E729 WeakPolarHBondContact CE-OE1 3.28Å; M705-E729 HydrophobicContact SD-CG 4.19Å; M708-E729 HydrophobicContact CG-CB 3.98Å; M708-E729 HydrophobicContact CG-CG 4.48Å; R712-E729 IonicContact CZ-OE2 2.65Å; R712-E729 IonicContact NH1-OE2 2.87Å; R712-E729 PolarHBondContact NH1-OE2 2.99Å; R712-E729 IonicContact NH2-OE2 3.62Å; R712-E729 PolarHBondContact NH2-OE2 3.44Å; A725-E729 WeakPolarHBondContact O-CB 3.39Å; A725-E729 PolarHBondContact O-N 2.91Å; E729-A731 VanDerWaalsContact C-N 3.32Å; E729-A731 PolarHBondContact O-N 2.8Å; E729-F732 PolarHBondContact O-N 3.2Å; E729-L733 HydrophobicContact CG-CD1 4.04Å; E729-L733 HydrophobicContact CG-CG 4.35Å; E729-L733 WeakPolarHBondContact O-CG 3.22Å; E729-L733 PolarHBondContact O-N 3Å
730	K	94	Very high	92.4	Very high	171 Å²	171	59 Å²	59	74%	0.743	29%	0.292	S	S	*	.	H	α-helix	trans	-61.1	-43.4	177.7	-175.7	-179.5	178.4	-177.7	0	111.3	V726 A727 S734	V726-K730 PolarHBondContact O-N 3.15Å; A727-K730 PolarHBondContact O-N 3.03Å; K730-S734 WeakPolarHBondContact O-CB 3.42Å; K730-S734 PolarHBondContact O-N 3.44Å
731	A	93.9	Very high	90.8	Very high	21 Å²	21	60.8 Å²	60.8	17%	0.174	30%	0.303	C	S	.	.	H	α-helix	trans	-62.3	-47.7	175.5	0	0	0	0	0	111	A727 L728 E729 S734 M735	A727-A731 PolarHBondContact O-N 3.02Å; A727-A731 VanDerWaalsContact O-N 3.08Å; L728-A731 PolarHBondContact O-N 3.4Å; E729-A731 VanDerWaalsContact C-N 3.32Å; E729-A731 PolarHBondContact O-N 2.8Å; A731-S734 WeakPolarHBondContact O-CB 3.16Å; A731-S734 PolarHBondContact O-N 3.29Å; A731-M735 HydrophobicContact CB-CE 4.46Å; A731-M735 WeakPolarHBondContact O-CG 3.23Å; A731-M735 PolarHBondContact O-N 2.87Å
732	F	95.3	Very high	88.7	Confident	0 Å²	0	61.7 Å²	61.7	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-57.1	-53	178.2	173.3	-115.9	0	0	0	112.6	L651 F700 K701 V704 L728 E729 S734 M735 W736	L651-F732 HydrophobicContact CD1-CD2 3.89Å; L651-F732 HydrophobicContact CD1-CE2 4.37Å; L651-F732 HydrophobicContact CD2-CB 3.87Å; L651-F732 HydrophobicContact CD2-CD2 4.11Å; L651-F732 HydrophobicContact CD2-CG 4.39Å; L651-F732 HydrophobicContact CG-CD2 4.42Å; F700-F732 HydrophobicContact CD1-CE2 4.41Å; F700-F732 HydrophobicContact CE1-CE2 4.07Å; K701-F732 HydrophobicContact CB-CZ 4.23Å; K701-F732 HydrophobicContact CG-CE1 3.9Å; K701-F732 HydrophobicContact CG-CZ 4Å; V704-F732 HydrophobicContact CB-CD1 4.16Å; V704-F732 HydrophobicContact CB-CD2 4.5Å; V704-F732 HydrophobicContact CB-CE1 3.86Å; V704-F732 HydrophobicContact CB-CE2 4.23Å; V704-F732 HydrophobicContact CB-CG 4.46Å; V704-F732 HydrophobicContact CB-CZ 3.91Å; V704-F732 HydrophobicContact CG1-CB 4.22Å; V704-F732 HydrophobicContact CG1-CD1 3.52Å; V704-F732 HydrophobicContact CG1-CD2 3.91Å; V704-F732 HydrophobicContact CG1-CE1 3.76Å; V704-F732 HydrophobicContact CG1-CE2 4.15Å; V704-F732 HydrophobicContact CG1-CG 3.59Å; V704-F732 HydrophobicContact CG1-CZ 4.08Å; V704-F732 HydrophobicContact CG2-CD2 4.31Å; V704-F732 HydrophobicContact CG2-CE1 4.39Å; V704-F732 HydrophobicContact CG2-CE2 3.89Å; V704-F732 HydrophobicContact CG2-CZ 3.93Å; L728-F732 WeakPolarHBondContact O-CB 3.18Å; L728-F732 PolarHBondContact O-N 3.11Å; E729-F732 PolarHBondContact O-N 3.2Å; F732-S734 PolarHBondContact O-N 3Å; F732-M735 PolarHBondContact O-N 2.9Å; F732-M735 VanDerWaalsContact O-N 3.12Å; F732-W736 HydrophobicContact CE2-CB 4.33Å; F732-W736 HydrophobicContact CE2-CD2 4.5Å; F732-W736 AromaticContact CE2-CE3 3.75Å; F732-W736 HydrophobicContact CE2-CE3 3.75Å; F732-W736 HydrophobicContact CZ-CB 4.28Å; F732-W736 HydrophobicContact CZ-CD2 4.04Å; F732-W736 AromaticContact CZ-CE3 3.51Å; F732-W736 HydrophobicContact CZ-CE3 3.51Å; F732-W736 HydrophobicContact CZ-CG 4.36Å; F732-W736 HydrophobicContact CZ-CZ3 4.26Å; F732-W736 VanDerWaalsContact O-CB 3.27Å; F732-W736 WeakPolarHBondContact O-CB 3.47Å; F732-W736 PolarHBondContact O-N 3.42Å
733	L	92.7	Very high	85.6	Confident	62 Å²	62	70.6 Å²	70.6	33%	0.325	36%	0.363	S	S	.	.	H	α-helix	trans	-61.2	-35.3	-178.1	-69.9	174.6	0	0	0	111.9	M705 E729 V737	M705-L733 HydrophobicContact SD-CD2 4.33Å; E729-L733 HydrophobicContact CG-CD1 4.04Å; E729-L733 HydrophobicContact CG-CG 4.35Å; E729-L733 WeakPolarHBondContact O-CG 3.22Å; E729-L733 PolarHBondContact O-N 3Å; L733-V737 VanDerWaalsContact O-CG2 3.29Å; L733-V737 WeakPolarHBondContact O-CG2 3.12Å; L733-V737 PolarHBondContact O-N 2.82Å; L733-V737 VanDerWaalsContact O-N 3.13Å
734	S	91.3	Very high	85.1	Confident	62 Å²	62	67.4 Å²	67.4	43%	0.434	35%	0.352	S	S	.	.	H	α-helix	trans	-65.4	-45.4	174.1	-176.4	0	0	0	0	112.2	K730 A731 F732 K738	K730-S734 WeakPolarHBondContact O-CB 3.42Å; K730-S734 PolarHBondContact O-N 3.44Å; A731-S734 WeakPolarHBondContact O-CB 3.16Å; A731-S734 PolarHBondContact O-N 3.29Å; F732-S734 PolarHBondContact O-N 3Å; S734-K738 WeakPolarHBondContact O-CG 3.41Å; S734-K738 PolarHBondContact O-N 2.99Å
735	M	92.5	Very high	84.5	Confident	34 Å²	34	70.6 Å²	70.6	17%	0.167	37%	0.368	C	S	.	.	H	α-helix	trans	-67.7	-41.6	176.6	-65.4	-176.5	-66.1	0	0	111.8	L647 K650 L651 A731 F732 V737 K738 E739	L647-M735 HydrophobicContact CD2-CB 3.59Å; K650-M735 HydrophobicContact CB-CE 4.26Å; K650-M735 HydrophobicContact CB-SD 3.61Å; K650-M735 HydrophobicContact CD-SD 3.91Å; K650-M735 HydrophobicContact CG-SD 4.32Å; L651-M735 HydrophobicContact CD2-CE 3.71Å; L651-M735 HydrophobicContact CG-CE 4.13Å; A731-M735 HydrophobicContact CB-CE 4.46Å; A731-M735 WeakPolarHBondContact O-CG 3.23Å; A731-M735 PolarHBondContact O-N 2.87Å; F732-M735 PolarHBondContact O-N 2.9Å; F732-M735 VanDerWaalsContact O-N 3.12Å; M735-V737 PolarHBondContact O-N 3.14Å; M735-K738 PolarHBondContact O-N 2.99Å; M735-K738 VanDerWaalsContact O-N 3.15Å; M735-E739 PolarHBondContact O-N 2.89Å
736	W	91.2	Very high	83.8	Confident	13 Å²	13	74.5 Å²	74.5	5%	0.049	39%	0.388	C	S	.	.	H	α-helix	trans	-57.1	-49.5	179	-179.8	-87	0	0	0	112.1	L644 L647 P697 F700 K701 F732 K738 E739 M740	L644-W736 HydrophobicContact CD2-CZ3 4.18Å; L647-W736 HydrophobicContact CD1-CE3 3.88Å; L647-W736 HydrophobicContact CD1-CZ3 4.14Å; P697-W736 HydrophobicContact CB-CH2 3.72Å; P697-W736 HydrophobicContact CB-CZ2 4.38Å; P697-W736 WeakPolarHBondContact O-CH2 3.18Å; F700-W736 HydrophobicContact CD1-CZ3 4.16Å; K701-W736 HydrophobicContact CB-CD2 4.47Å; K701-W736 HydrophobicContact CB-CE3 4.31Å; K701-W736 HydrophobicContact CB-CH2 3.86Å; K701-W736 HydrophobicContact CB-CZ2 4.01Å; K701-W736 HydrophobicContact CB-CZ3 4Å; K701-W736 HydrophobicContact CD-CD2 4.2Å; K701-W736 HydrophobicContact CD-CZ2 4.02Å; K701-W736 HydrophobicContact CG-CD2 4.4Å; K701-W736 HydrophobicContact CG-CZ2 4.48Å; F732-W736 HydrophobicContact CE2-CB 4.33Å; F732-W736 HydrophobicContact CE2-CD2 4.5Å; F732-W736 AromaticContact CE2-CE3 3.75Å; F732-W736 HydrophobicContact CE2-CE3 3.75Å; F732-W736 HydrophobicContact CZ-CB 4.28Å; F732-W736 HydrophobicContact CZ-CD2 4.04Å; F732-W736 AromaticContact CZ-CE3 3.51Å; F732-W736 HydrophobicContact CZ-CE3 3.51Å; F732-W736 HydrophobicContact CZ-CG 4.36Å; F732-W736 HydrophobicContact CZ-CZ3 4.26Å; F732-W736 VanDerWaalsContact O-CB 3.27Å; F732-W736 WeakPolarHBondContact O-CB 3.47Å; F732-W736 PolarHBondContact O-N 3.42Å; W736-K738 VanDerWaalsContact C-N 3.26Å; W736-K738 PolarHBondContact O-N 2.88Å; W736-E739 PolarHBondContact O-N 2.84Å; W736-M740 HydrophobicContact CD2-CB 4.41Å; W736-M740 HydrophobicContact CD2-CG 3.94Å; W736-M740 HydrophobicContact CE3-CG 3.92Å; W736-M740 HydrophobicContact CH2-CG 3.84Å; W736-M740 HydrophobicContact CH2-SD 4.34Å; W736-M740 HydrophobicContact CZ2-CB 4.18Å; W736-M740 HydrophobicContact CZ2-CG 3.88Å; W736-M740 HydrophobicContact CZ3-CE 4.34Å; W736-M740 HydrophobicContact CZ3-CG 3.88Å; W736-M740 VanDerWaalsContact O-CB 3.31Å; W736-M740 WeakPolarHBondContact O-CB 3.33Å; W736-M740 PolarHBondContact O-N 3.08Å
737	V	85.9	Confident	83.1	Confident	102 Å²	102	74.6 Å²	74.6	62%	0.618	39%	0.385	S	S	*	.	H	α-helix	trans	-62.7	-36	179.1	170.6	0	0	0	0	111.3	L733 M735	L733-V737 VanDerWaalsContact O-CG2 3.29Å; L733-V737 WeakPolarHBondContact O-CG2 3.12Å; L733-V737 PolarHBondContact O-N 2.82Å; L733-V737 VanDerWaalsContact O-N 3.13Å; M735-V737 PolarHBondContact O-N 3.14Å
738	K	85.2	Confident	82.3	Confident	161 Å²	161	77 Å²	77	70%	0.7	39%	0.39	S	S	*	.	H	α-helix	trans	-72.6	-41.3	179.2	-72.1	177.8	-179.3	-173.5	0	113.3	S734 M735 W736	S734-K738 WeakPolarHBondContact O-CG 3.41Å; S734-K738 PolarHBondContact O-N 2.99Å; M735-K738 PolarHBondContact O-N 2.99Å; M735-K738 VanDerWaalsContact O-N 3.15Å; W736-K738 VanDerWaalsContact C-N 3.26Å; W736-K738 PolarHBondContact O-N 2.88Å
739	E	81.4	Confident	81.4	Confident	37 Å²	37	82.1 Å²	82.1	17%	0.173	42%	0.416	C	S	.	.	H	α-helix	trans	-91.7	-27.4	-170	-70.1	179.3	-146.5	0	0	113.5	K643 L647 K650 M735 W736	K643-E739 WeakPolarHBondContact CD-O 3.34Å; L647-E739 HydrophobicContact CD2-CB 4.32Å; L647-E739 HydrophobicContact CD2-CG 4.29Å; L647-E739 VanDerWaalsContact CD2-OE2 3.26Å; L647-E739 WeakPolarHBondContact CD2-OE2 3.28Å; L647-E739 WeakPolarHBondContact CG-OE2 3.22Å; K650-E739 VanDerWaalsContact NZ-CD 3.32Å; K650-E739 IonicContact NZ-OE1 3.46Å; K650-E739 PolarHBondContact NZ-OE1 2.82Å; K650-E739 IonicContact NZ-OE2 3.18Å; M735-E739 PolarHBondContact O-N 2.89Å; W736-E739 PolarHBondContact O-N 2.84Å
740	M	77.1	Confident	80.3	Confident	13 Å²	13	85.3 Å²	85.3	6%	0.064	43%	0.433	C	S	.	.	H	α-helix	trans	-100.7	-5.3	-173.3	-64.4	-68	161.9	0	0	114.4	K643 L644 L647 P697 W736 L742	K643-M740 HydrophobicContact CB-CE 3.51Å; K643-M740 HydrophobicContact CB-SD 4.48Å; K643-M740 HydrophobicContact CD-CE 4.46Å; K643-M740 HydrophobicContact CD-SD 4.43Å; L644-M740 HydrophobicContact CD2-CE 3.61Å; L644-M740 HydrophobicContact CG-CE 4.04Å; L647-M740 HydrophobicContact CD1-CE 3.51Å; L647-M740 HydrophobicContact CD1-CG 4.44Å; P697-M740 HydrophobicContact CB-SD 4.21Å; W736-M740 HydrophobicContact CD2-CB 4.41Å; W736-M740 HydrophobicContact CD2-CG 3.94Å; W736-M740 HydrophobicContact CE3-CG 3.92Å; W736-M740 HydrophobicContact CH2-CG 3.84Å; W736-M740 HydrophobicContact CH2-SD 4.34Å; W736-M740 HydrophobicContact CZ2-CB 4.18Å; W736-M740 HydrophobicContact CZ2-CG 3.88Å; W736-M740 HydrophobicContact CZ3-CE 4.34Å; W736-M740 HydrophobicContact CZ3-CG 3.88Å; W736-M740 VanDerWaalsContact O-CB 3.31Å; W736-M740 WeakPolarHBondContact O-CB 3.33Å; W736-M740 PolarHBondContact O-N 3.08Å; M740-L742 HydrophobicContact CB-CD1 4.38Å; M740-L742 WeakPolarHBondContact O-CG 3.21Å; M740-L742 PolarHBondContact O-N 3.42Å
741	E	62.7	Low	79.3	Confident	166 Å²	166	78.7 Å²	78.7	78%	0.776	41%	0.409	S	S	*	.			trans	47.9	24.3	173.4	-63.5	-174.4	155.9	0	0	116.1	L743	E741-L743 PolarHBondContact O-N 2.76Å
742	L	50.7	Low	78.1	Confident	104 Å²	104	83.5 Å²	83.5	55%	0.545	43%	0.429	S	S	.	.			trans	-96.3	97.3	-179.3	-76.9	158.9	0	0	0	109.5	M740	M740-L742 HydrophobicContact CB-CD1 4.38Å; M740-L742 WeakPolarHBondContact O-CG 3.21Å; M740-L742 PolarHBondContact O-N 3.42Å
743	L	30.9	Very low	76.5	Confident	248 Å²	248	91.1 Å²	91.1	100%	1.298	47%	0.468	S	S	*	.			trans	-76.9	0	162.3	-88.1	168.2	0	0	0	111.4	E741	E741-L743 PolarHBondContact O-N 2.76Å

Retrieved 743 of 743 residues in 581.6 ms (Link to these results)

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