A0A087XBE6_POEFO Loading...

Patatin like phospholipase domain containing 8

AlphaFold DB , UniProt , Accession A0A087XBE6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 728 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	48.8	Very low	45.4	Very low	210 Å²	210	125.5 Å²	125.5	100%	1.034	65%	0.651	S	S	*	*				0	-84.7	0	-65.8	-47.7	-142.8	0	0	112.8	R3 V4	M1-R3 PolarHBondContact O-N 3.16Å; M1-V4 PolarHBondContact O-N 3.15Å; M1-V4 VanDerWaalsContact O-N 3.08Å
2	S	43.2	Very low	45.1	Very low	105 Å²	105	120.8 Å²	120.8	73%	0.734	64%	0.638	S	S	*	*	H	α-helix	trans	-46.4	-56.5	-170.3	170	0	0	0	0	115.3	V4 R5	S2-V4 PolarHBondContact O-N 2.95Å; S2-R5 PolarHBondContact O-N 3.16Å; S2-R5 VanDerWaalsContact O-N 3.14Å
3	R	41.2	Very low	45.1	Very low	224 Å²	224	124.6 Å²	124.6	85%	0.845	65%	0.646	S	S	*	*	H	α-helix	trans	-62	-6.4	-177.3	-71.3	-174.4	176.6	176.2	-1.2	116.5	M1 S6 T7	M1-R3 PolarHBondContact O-N 3.16Å; R3-S6 PolarHBondContact O-OG 2.75Å; R3-T7 PolarHBondContact O-OG1 3.36Å
4	V	44.9	Very low	45.1	Very low	90 Å²	90	120.3 Å²	120.3	55%	0.545	64%	0.637	S	S	.	*	H	α-helix	trans	-92.4	-28.8	177.8	-178.2	0	0	0	0	112	M1 S2 T7 L8	M1-V4 PolarHBondContact O-N 3.15Å; M1-V4 VanDerWaalsContact O-N 3.08Å; S2-V4 PolarHBondContact O-N 2.95Å; V4-T7 PolarHBondContact O-OG1 2.99Å; V4-L8 HydrophobicContact CG1-CD1 4.41Å; V4-L8 PolarHBondContact O-N 3.28Å
5	R	44.5	Very low	45.1	Very low	199 Å²	199	118.4 Å²	118.4	75%	0.751	63%	0.632	S	S	*	*	H	α-helix	trans	-69.5	-46.7	175.9	-83.4	-174.8	169.7	163.2	-3.3	111.6	S2 T7 L8 D9	S2-R5 PolarHBondContact O-N 3.16Å; S2-R5 VanDerWaalsContact O-N 3.14Å; R5-T7 VanDerWaalsContact C-N 3.26Å; R5-T7 PolarHBondContact O-N 3.13Å; R5-L8 PolarHBondContact O-N 3.31Å; R5-D9 PolarHBondContact O-N 2.9Å
6	S	45.5	Very low	45.1	Very low	66 Å²	66	115.7 Å²	115.7	46%	0.462	63%	0.625	S	S	.	*	H	α-helix	trans	-57.1	-37	179.6	53.4	0	0	0	0	113.3	R3 T10	R3-S6 PolarHBondContact O-OG 2.75Å; S6-T10 PolarHBondContact O-N 3.37Å; S6-T10 VanDerWaalsContact O-N 3.14Å; S6-T10 PolarHBondContact O-OG1 3.37Å
7	T	48.4	Very low	44.8	Very low	82 Å²	82	111.1 Å²	111.1	50%	0.503	61%	0.611	S	S	.	*	H	α-helix	trans	-69.3	-39.5	174.8	35.1	0	0	0	0	113	R3 V4 R5 V11	R3-T7 PolarHBondContact O-OG1 3.36Å; V4-T7 PolarHBondContact O-OG1 2.99Å; R5-T7 VanDerWaalsContact C-N 3.26Å; R5-T7 PolarHBondContact O-N 3.13Å; T7-V11 WeakPolarHBondContact O-CG2 3.37Å; T7-V11 PolarHBondContact O-N 3.45Å; T7-V11 VanDerWaalsContact O-N 3.07Å
8	L	47.2	Very low	45	Very low	114 Å²	114	109.7 Å²	109.7	60%	0.597	61%	0.607	S	S	*	*	H	α-helix	trans	-66.2	-42.5	176.4	-82.3	163	0	0	0	111.8	V4 R5 T10 V11 S12	V4-L8 HydrophobicContact CG1-CD1 4.41Å; V4-L8 PolarHBondContact O-N 3.28Å; R5-L8 PolarHBondContact O-N 3.31Å; L8-T10 PolarHBondContact O-N 2.92Å; L8-V11 PolarHBondContact O-N 3.06Å; L8-S12 WeakPolarHBondContact O-CB 3.33Å; L8-S12 PolarHBondContact O-N 3.13Å
9	D	42.9	Very low	44.9	Very low	103 Å²	103	110.7 Å²	110.7	55%	0.551	61%	0.606	S	S	*	*	H	α-helix	trans	-65.3	-37.7	177.8	-66.9	-38	0	0	0	112.2	R5 K13	R5-D9 PolarHBondContact O-N 2.9Å; D9-K13 PolarHBondContact O-N 2.8Å; D9-K13 VanDerWaalsContact O-N 3.11Å
10	T	48.7	Very low	44.9	Very low	98 Å²	98	109.9 Å²	109.9	60%	0.601	61%	0.605	S	S	*	*	H	α-helix	trans	-65.4	-44.2	174	-58.2	0	0	0	0	112	S6 L8 K13 A14	S6-T10 PolarHBondContact O-N 3.37Å; S6-T10 VanDerWaalsContact O-N 3.14Å; S6-T10 PolarHBondContact O-OG1 3.37Å; L8-T10 PolarHBondContact O-N 2.92Å; T10-K13 PolarHBondContact O-N 3.45Å; T10-A14 PolarHBondContact O-N 3.49Å; T10-A14 VanDerWaalsContact O-N 3.07Å
11	V	44.6	Very low	44.6	Very low	89 Å²	89	110.8 Å²	110.8	54%	0.539	61%	0.605	S	S	.	*	H	α-helix	trans	-65.5	-41.9	177.2	171.6	0	0	0	0	111.3	T7 L8 K13 A14 V15	T7-V11 WeakPolarHBondContact O-CG2 3.37Å; T7-V11 PolarHBondContact O-N 3.45Å; T7-V11 VanDerWaalsContact O-N 3.07Å; L8-V11 PolarHBondContact O-N 3.06Å; V11-K13 PolarHBondContact O-N 2.87Å; V11-A14 PolarHBondContact O-N 2.93Å; V11-V15 HydrophobicContact CG1-CG2 4.43Å; V11-V15 WeakPolarHBondContact O-CG2 3.25Å; V11-V15 PolarHBondContact O-N 2.77Å
12	S	41.9	Very low	44.2	Very low	70 Å²	70	105.8 Å²	105.8	49%	0.49	58%	0.582	S	S	.	*	H	α-helix	trans	-59.7	-43.8	177.6	-176	0	0	0	0	112.5	L8 S16	L8-S12 WeakPolarHBondContact O-CB 3.33Å; L8-S12 PolarHBondContact O-N 3.13Å; S12-S16 WeakPolarHBondContact O-CB 3.4Å; S12-S16 PolarHBondContact O-N 2.7Å; S12-S16 VanDerWaalsContact O-N 3.11Å; S12-S16 PolarHBondContact O-OG 3.11Å
13	K	44.4	Very low	43.9	Very low	170 Å²	170	106 Å²	106	74%	0.739	57%	0.574	S	S	*	*	H	α-helix	trans	-65.7	-39.2	173.8	-78.3	-175.6	174.4	179.9	0	113	D9 T10 V11 S16 G17	D9-K13 PolarHBondContact O-N 2.8Å; D9-K13 VanDerWaalsContact O-N 3.11Å; T10-K13 PolarHBondContact O-N 3.45Å; V11-K13 PolarHBondContact O-N 2.87Å; K13-S16 PolarHBondContact O-N 2.86Å; K13-G17 PolarHBondContact O-N 3.49Å
14	A	45.2	Very low	43.7	Very low	64 Å²	64	98.6 Å²	98.6	53%	0.529	56%	0.556	S	S	.	*	H	α-helix	trans	-63	-45.5	178.4	0	0	0	0	0	112.4	T10 V11 G17	T10-A14 PolarHBondContact O-N 3.49Å; T10-A14 VanDerWaalsContact O-N 3.07Å; V11-A14 PolarHBondContact O-N 2.93Å; A14-G17 PolarHBondContact O-N 3.03Å
15	V	44.5	Very low	43.3	Very low	92 Å²	92	101.7 Å²	101.7	56%	0.558	56%	0.563	S	S	*	*	H	α-helix	trans	-68.9	-35.9	179.2	175.8	0	0	0	0	111.8	V11 G17 T18	V11-V15 HydrophobicContact CG1-CG2 4.43Å; V11-V15 WeakPolarHBondContact O-CG2 3.25Å; V11-V15 PolarHBondContact O-N 2.77Å; V15-G17 PolarHBondContact O-N 2.94Å; V15-T18 PolarHBondContact O-N 2.91Å; V15-T18 PolarHBondContact O-OG1 3.45Å
16	S	46.4	Very low	43.1	Very low	75 Å²	75	97.8 Å²	97.8	52%	0.524	56%	0.555	S	S	.	*	H	α-helix	trans	-64.5	-37.4	176.9	-59.7	0	0	0	0	112.7	S12 K13 T18 H19	S12-S16 WeakPolarHBondContact O-CB 3.4Å; S12-S16 PolarHBondContact O-N 2.7Å; S12-S16 VanDerWaalsContact O-N 3.11Å; S12-S16 PolarHBondContact O-OG 3.11Å; K13-S16 PolarHBondContact O-N 2.86Å; S16-T18 VanDerWaalsContact C-N 3.34Å; S16-T18 PolarHBondContact O-N 2.76Å; S16-H19 PolarHBondContact O-N 3.35Å
17	G	39.8	Very low	42.6	Very low	38 Å²	38	99.2 Å²	99.2	39%	0.392	57%	0.565	S	S	.	*	H	α-helix	trans	-67.7	-28	179.7	0	0	0	0	0	114.6	K13 A14 V15 T20	K13-G17 PolarHBondContact O-N 3.49Å; A14-G17 PolarHBondContact O-N 3.03Å; V15-G17 PolarHBondContact O-N 2.94Å; G17-T20 PolarHBondContact O-OG1 3Å
18	T	48.8	Very low	42	Very low	86 Å²	86	105.7 Å²	105.7	53%	0.528	58%	0.581	S	S	.	*	H	α-helix	trans	-73.6	-28.2	177.8	43.6	0	0	0	0	113.7	V15 S16 L22	V15-T18 PolarHBondContact O-N 2.91Å; V15-T18 PolarHBondContact O-OG1 3.45Å; S16-T18 VanDerWaalsContact C-N 3.34Å; S16-T18 PolarHBondContact O-N 2.76Å; T18-L22 PolarHBondContact O-N 2.88Å
19	H	42.8	Very low	41.2	Very low	128 Å²	128	107.9 Å²	107.9	59%	0.593	59%	0.592	S	S	*	*	H	α-helix	trans	-72.9	-35.2	-174.4	-134.2	-81	0	0	0	112.9	S16 L22 L23	S16-H19 PolarHBondContact O-N 3.35Å; H19-L22 PolarHBondContact O-N 3.47Å; H19-L23 PolarHBondContact O-N 3.23Å
20	T	43.9	Very low	40.6	Very low	94 Å²	94	112.7 Å²	112.7	58%	0.577	61%	0.608	S	S	*	*	H	α-helix	trans	-74.4	-32	177.3	50.9	0	0	0	0	112.8	G17 L22 S24	G17-T20 PolarHBondContact O-OG1 3Å; T20-L22 VanDerWaalsContact C-N 3.29Å; T20-L22 PolarHBondContact O-N 2.91Å; T20-S24 PolarHBondContact O-N 2.93Å; T20-S24 PolarHBondContact O-OG 3.18Å
21	Q	38.9	Very low	39.9	Very low	130 Å²	130	114.1 Å²	114.1	61%	0.607	62%	0.619	S	S	*	*	H	α-helix	trans	-70.6	-22.7	171.8	-71	-163.4	-1.7	0	0	113.6	S24	Q21-S24 WeakPolarHBondContact CA-OG 3.32Å; Q21-S24 PolarHBondContact O-OG 2.89Å
22	L	39.6	Very low	39.1	Very low	105 Å²	105	119.7 Å²	119.7	55%	0.55	64%	0.636	S	S	.	*	H	α-helix	trans	-77.2	-46.8	175.2	-120.1	160.2	0	0	0	111.3	T18 H19 T20 S24 K25 I26	T18-L22 PolarHBondContact O-N 2.88Å; H19-L22 PolarHBondContact O-N 3.47Å; T20-L22 VanDerWaalsContact C-N 3.29Å; T20-L22 PolarHBondContact O-N 2.91Å; L22-S24 VanDerWaalsContact C-N 3.32Å; L22-S24 PolarHBondContact O-N 2.92Å; L22-K25 PolarHBondContact O-N 3.25Å; L22-K25 VanDerWaalsContact O-N 3.13Å; L22-I26 HydrophobicContact CD2-CD1 4.23Å; L22-I26 PolarHBondContact O-N 3.33Å
23	L	38.7	Very low	38.6	Very low	110 Å²	110	125.1 Å²	125.1	58%	0.576	65%	0.653	S	S	*	*	H	α-helix	trans	-62.7	-35.5	178.8	-69.9	169.1	0	0	0	113.2	H19 K25 I26	H19-L23 PolarHBondContact O-N 3.23Å; L23-K25 VanDerWaalsContact C-N 3.27Å; L23-K25 PolarHBondContact O-N 3.43Å; L23-I26 PolarHBondContact O-N 2.92Å
24	S	35.9	Very low	37.8	Very low	68 Å²	68	126 Å²	126	48%	0.476	66%	0.66	S	S	.	*	H	α-helix	trans	-73.7	-10.7	176.5	49.6	0	0	0	0	114.9	T20 Q21 L22 S27	T20-S24 PolarHBondContact O-N 2.93Å; T20-S24 PolarHBondContact O-OG 3.18Å; Q21-S24 WeakPolarHBondContact CA-OG 3.32Å; Q21-S24 PolarHBondContact O-OG 2.89Å; L22-S24 VanDerWaalsContact C-N 3.32Å; L22-S24 PolarHBondContact O-N 2.92Å; S24-S27 PolarHBondContact O-OG 2.96Å
25	K	37.3	Very low	37	Very low	155 Å²	155	128.4 Å²	128.4	67%	0.674	67%	0.668	S	S	*	*	H	α-helix	trans	-92	-28.9	171.2	-72.6	178.2	178.7	178.3	0	112.9	L22 L23	L22-K25 PolarHBondContact O-N 3.25Å; L22-K25 VanDerWaalsContact O-N 3.13Å; L23-K25 VanDerWaalsContact C-N 3.27Å; L23-K25 PolarHBondContact O-N 3.43Å
26	I	39.8	Very low	36.3	Very low	116 Å²	116	131.9 Å²	131.9	60%	0.595	68%	0.679	S	S	*	*	H	α-helix	trans	-73.8	-28.3	-179.2	-66.4	167.2	0	0	0	111.6	L22 L23 R28	L22-I26 HydrophobicContact CD2-CD1 4.23Å; L22-I26 PolarHBondContact O-N 3.33Å; L23-I26 PolarHBondContact O-N 2.92Å; I26-R28 PolarHBondContact O-N 2.88Å; I26-R28 VanDerWaalsContact O-N 3.15Å
27	S	34.9	Very low	35.5	Very low	96 Å²	96	134.2 Å²	134.2	67%	0.671	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74	2.7	-177.8	58.8	0	0	0	0	116.2	S24	S24-S27 PolarHBondContact O-OG 2.96Å
28	R	35.6	Very low	35	Very low	219 Å²	219	139.9 Å²	139.9	83%	0.826	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.5	10.7	-175.7	-76.2	-168.8	171.8	-165.2	-2.1	115.9	I26	I26-R28 PolarHBondContact O-N 2.88Å; I26-R28 VanDerWaalsContact O-N 3.15Å
29	L	30.8	Very low	34	Very low	160 Å²	160	139.6 Å²	139.6	84%	0.838	71%	0.712	S	S	*	*			trans	-122.4	94.5	178	-71.7	169.9	0	0	0	112.1
30	K	31	Very low	33.3	Very low	204 Å²	204	138.6 Å²	138.6	89%	0.887	72%	0.719	S	S	*	*			trans	-117.6	136.6	157.1	-87.2	-168.1	172.6	-172	0	109.1
31	P	33.5	Very low	32.6	Very low	127 Å²	127	141.1 Å²	141.1	83%	0.825	73%	0.734	S	S	*	*	P	Polyproline II helix	trans	-76.1	168.1	172.3	32.9	-34.8	0	0	0	112
32	K	27.9	Very low	32.1	Very low	207 Å²	207	143.8 Å²	143.8	90%	0.9	75%	0.746	S	S	*	*	P	Polyproline II helix	trans	-82.8	159	176.9	-67.9	-177.5	176.7	-178.4	0	112.4
33	E	29.8	Very low	31.6	Very low	183 Å²	183	144.2 Å²	144.2	86%	0.855	76%	0.758	S	S	*	*	P	Polyproline II helix	trans	-81	157.1	171.6	-55.7	168.3	119.4	0	0	112.3
34	Q	29.5	Very low	31	Very low	189 Å²	189	145 Å²	145	88%	0.883	77%	0.768	S	S	*	*			trans	-155.9	83.8	145.4	-123.3	171	-6.2	0	0	113.7
35	T	28.4	Very low	30.6	Very low	114 Å²	114	146.5 Å²	146.5	70%	0.699	78%	0.784	S	S	*	*			trans	54.7	142.3	132.3	-18.7	0	0	0	0	123.5
36	Q	29.8	Very low	30.2	Very low	166 Å²	166	148.5 Å²	148.5	78%	0.776	79%	0.792	S	S	*	*			trans	85.5	140.1	159	-55.3	-160.6	-11	0	0	118.2
37	L	29.2	Very low	31	Very low	124 Å²	124	148 Å²	148	65%	0.649	80%	0.797	S	S	*	*			cis	-162	148.5	-10.2	-111.9	170.5	0	0	0	110.7
38	L	28.4	Very low	30.9	Very low	156 Å²	156	151.5 Å²	151.5	82%	0.817	80%	0.803	S	S	*	*			trans	63.6	155.2	158.7	-57.6	168.1	0	0	0	118.7
39	A	28.5	Very low	30.9	Very low	81 Å²	81	148.2 Å²	148.2	67%	0.669	80%	0.797	S	S	*	*			cis	-161.4	160	-27.5	0	0	0	0	0	111.4
40	S	27.5	Very low	30.8	Very low	107 Å²	107	147.9 Å²	147.9	75%	0.748	79%	0.789	S	S	*	*			trans	-18.5	144.2	166.7	55	0	0	0	0	121
41	V	30.5	Very low	30.9	Very low	147 Å²	147	142.3 Å²	142.3	89%	0.891	78%	0.781	S	S	*	*				-166.8	163.2	110.4	142	0	0	0	0	110.2
42	E	28.4	Very low	30.8	Very low	186 Å²	186	143.9 Å²	143.9	87%	0.869	78%	0.78	S	S	*	*			trans	-128.3	174.5	-161.4	-175.3	171.1	-147.5	0	0	112.3
43	S	27.4	Very low	31.1	Very low	113 Å²	113	140.5 Å²	140.5	79%	0.79	78%	0.777	S	S	*	*			trans	107.4	136.1	156.8	-156.7	0	0	0	0	120.2
44	T	27.1	Very low	32.6	Very low	128 Å²	128	137.7 Å²	137.7	79%	0.785	78%	0.775	S	S	*	*			trans	-96.1	156.8	-175.8	48.7	0	0	0	0	114.1
45	A	27.5	Very low	32.8	Very low	98 Å²	98	135.4 Å²	135.4	81%	0.81	77%	0.774	S	S	*	*			trans	179.2	170.6	136.9	0	0	0	0	0	114.8
46	K	28.4	Very low	34.2	Very low	197 Å²	197	136.2 Å²	136.2	86%	0.857	78%	0.781	S	S	*	*			trans	-143.2	-162.2	171	-57.7	-178.9	172.8	179.7	0	108.3
47	P	56.8	Low	34.1	Very low	106 Å²	106	132.8 Å²	132.8	69%	0.688	78%	0.781	S	S	*	*			cis	-132.2	-167	-30.8	21.4	4.6	0	0	0	114.4
48	E	33	Very low	35.4	Very low	170 Å²	170	132.5 Å²	132.5	79%	0.794	79%	0.787	S	S	*	*			trans	129	135.1	132.8	-64.7	-158.2	147.2	0	0	122.9
49	E	35.3	Very low	35.4	Very low	149 Å²	149	131 Å²	131	70%	0.696	78%	0.784	S	S	*	*			trans	54.5	173.1	153.1	-65.6	-136.7	94.7	0	0	122.2
50	K	28.2	Very low	35.5	Very low	154 Å²	154	133 Å²	133	67%	0.67	79%	0.788	S	S	*	*			cis	-149.5	174.2	-1.3	-149.3	159.3	-175.8	73.9	0	112.9
51	A	33.8	Very low	35.5	Very low	87 Å²	87	132.6 Å²	132.6	72%	0.719	79%	0.785	S	S	*	*			trans	-154.6	163.9	171.2	0	0	0	0	0	113.9
52	I	31.8	Very low	35.3	Very low	160 Å²	160	131.8 Å²	131.8	82%	0.821	78%	0.781	S	S	*	*			trans	-177.3	153.3	163.4	-101	150.5	0	0	0	112.9
53	T	34.4	Very low	35.2	Very low	136 Å²	136	129.1 Å²	129.1	83%	0.834	78%	0.777	S	S	*	*			trans	-153.5	150.3	-177.8	48.3	0	0	0	0	117
54	P	61.3	Low	36.3	Very low	123 Å²	123	129 Å²	129	80%	0.799	77%	0.773	S	S	*	*			trans	-135.4	170.8	169.5	41.9	-27.6	0	0	0	116.9
55	T	32.7	Very low	36.3	Very low	141 Å²	141	127.9 Å²	127.9	87%	0.865	77%	0.771	S	S	*	*			trans	-151.9	149.7	179.8	53.5	0	0	0	0	117.3
56	P	57.9	Low	36.3	Very low	132 Å²	132	127.9 Å²	127.9	86%	0.857	77%	0.765	S	S	*	*			trans	-137.2	176.9	171.2	41.6	-25.8	0	0	0	117.6
57	A	28.9	Very low	36.3	Very low	94 Å²	94	123.9 Å²	123.9	78%	0.777	76%	0.762	S	S	*	*			trans	-162.7	-165.7	174.6	0	0	0	0	0	110.5
58	P	55.4	Low	34.9	Very low	118 Å²	118	122.9 Å²	122.9	77%	0.766	76%	0.763	S	S	*	*			cis	-138.2	-133.6	-9.2	45.1	-25	0	0	0	114.5
59	T	28.3	Very low	34.7	Very low	124 Å²	124	123.6 Å²	123.6	76%	0.761	77%	0.766	S	S	*	*			trans	124.2	141.1	139.1	-9.6	0	0	0	0	123.6
60	V	30.9	Very low	34.3	Very low	123 Å²	123	121.4 Å²	121.4	75%	0.745	77%	0.773	S	S	*	*			trans	90.1	100.1	151.7	-173.2	0	0	0	0	125.5
61	S	26.7	Very low	34.2	Very low	99 Å²	99	117.8 Å²	117.8	69%	0.692	78%	0.779	S	S	*	*				50.1	151.4	126.1	89.5	0	0	0	0	131.3
62	T	27.7	Very low	33.9	Very low	130 Å²	130	121.9 Å²	121.9	80%	0.798	79%	0.788	S	S	*	*			trans	93.1	154.7	139.4	31.4	0	0	0	0	125
63	T	26.3	Very low	33.6	Very low	129 Å²	129	118.8 Å²	118.8	79%	0.791	78%	0.78	S	S	*	*			trans	-123.3	-162.4	-168.1	57.8	0	0	0	0	110.7
64	P	50.1	Low	33.2	Very low	110 Å²	110	118.2 Å²	118.2	71%	0.714	78%	0.777	S	S	*	*			cis	-141.3	-168.3	-5	41.3	-19.8	0	0	0	117.5
65	S	27	Very low	31.7	Very low	106 Å²	106	117.9 Å²	117.9	74%	0.741	78%	0.778	S	S	*	*			trans	117.9	121.5	135.4	74.2	0	0	0	0	124.2
66	S	28.1	Very low	31.5	Very low	97 Å²	97	115.2 Å²	115.2	68%	0.678	77%	0.77	S	S	*	*			trans	60	127.4	133.5	62.6	0	0	0	0	127.3
67	S	27.5	Very low	30.2	Very low	113 Å²	113	113.8 Å²	113.8	79%	0.79	77%	0.769	S	S	*	*			trans	66.1	157.6	134.6	60.7	0	0	0	0	122.4
68	A	27.8	Very low	30.3	Very low	86 Å²	86	113.2 Å²	113.2	71%	0.711	76%	0.764	S	S	*	*			cis	-171	163.6	-27.1	0	0	0	0	0	112.5
69	H	28.7	Very low	29	Very low	185 Å²	185	116.9 Å²	116.9	86%	0.856	77%	0.769	S	S	*	*			trans	50.1	117.3	155.6	-74.4	-66	0	0	0	125.2
70	A	27.8	Very low	29.2	Very low	103 Å²	103	117.4 Å²	117.4	85%	0.851	77%	0.767	S	S	*	*				64.4	139.8	121.7	0	0	0	0	0	123.9
71	G	25	Very low	29.3	Very low	77 Å²	77	114.4 Å²	114.4	79%	0.794	76%	0.761	S	S	*	*			trans	178	124.1	165.9	0	0	0	0	0	116.9
72	L	27.1	Very low	29.4	Very low	174 Å²	174	120.7 Å²	120.7	91%	0.911	77%	0.769	S	S	*	*			trans	-66.6	175.1	172.5	-83	89.5	0	0	0	113.9
73	S	25.2	Very low	29.5	Very low	94 Å²	94	120 Å²	120	66%	0.657	77%	0.765	S	S	*	*			cis	-177.4	-170.3	-15.7	179.2	0	0	0	0	109
74	T	26.6	Very low	29.8	Very low	125 Å²	125	120.1 Å²	120.1	77%	0.767	77%	0.766	S	S	*	*			trans	71.7	127.5	170.5	65.7	0	0	0	0	116.4
75	S	29.5	Very low	28.9	Very low	115 Å²	115	118.4 Å²	118.4	80%	0.804	76%	0.761	S	S	*	*			cis	102.4	150.3	48.3	91.5	0	0	0	0	111.1
76	A	29.6	Very low	28.9	Very low	86 Å²	86	118.4 Å²	118.4	71%	0.711	76%	0.761	S	S	*	*			cis	-157.3	175.4	8.7	0	0	0	0	0	112.2
77	A	30.8	Very low	28.9	Very low	101 Å²	101	119.7 Å²	119.7	84%	0.835	77%	0.765	S	S	*	*			trans	67.2	152.7	151.3	0	0	0	0	0	120.1
78	A	29.5	Very low	29.1	Very low	82 Å²	82	120.4 Å²	120.4	68%	0.678	77%	0.765	S	S	*	*			cis	-170.2	157.2	-21.9	0	0	0	0	0	111
79	F	29.6	Very low	30.1	Very low	196 Å²	196	121.6 Å²	121.6	86%	0.86	77%	0.765	S	S	*	*			trans	65.3	146.6	154.4	-89.9	-125.9	0	0	0	118.7
80	D	31.2	Very low	30.2	Very low	135 Å²	135	117.9 Å²	117.9	72%	0.722	77%	0.767	S	S	*	*			cis	-157.6	163	-13.7	-159.5	9.2	0	0	0	112.3
81	G	32.7	Very low	30.1	Very low	60 Å²	60	116.7 Å²	116.7	62%	0.619	77%	0.765	S	S	*	*			trans	55.4	135.5	146.9	0	0	0	0	0	121.6
82	R	28.9	Very low	30.3	Very low	230 Å²	230	119.1 Å²	119.1	87%	0.868	77%	0.769	S	S	*	*			cis	-159.5	124	-5.7	-149.1	170	-173.2	166.5	1.8	106.7
83	T	31.4	Very low	30.4	Very low	116 Å²	116	115 Å²	115	71%	0.712	76%	0.76	S	S	*	*				39.9	131.9	93.1	11.1	0	0	0	0	113.9
84	T	32.4	Very low	30.5	Very low	132 Å²	132	119.4 Å²	119.4	81%	0.81	77%	0.771	S	S	*	*			cis	-153.6	168.3	37.6	46.1	0	0	0	0	112.6
85	A	30.2	Very low	30.5	Very low	74 Å²	74	119.1 Å²	119.1	61%	0.612	77%	0.768	S	S	*	*			cis	-170.2	142.2	-26.8	0	0	0	0	0	110.1
86	S	27.6	Very low	30.2	Very low	105 Å²	105	118.7 Å²	118.7	73%	0.734	76%	0.761	S	S	*	*			trans	59.5	164.2	131.8	83.3	0	0	0	0	120.9
87	T	27	Very low	30	Very low	125 Å²	125	120.6 Å²	120.6	77%	0.767	76%	0.763	S	S	*	*			cis	-144.8	142.2	13	-28.4	0	0	0	0	112.8
88	T	31.5	Very low	29.7	Very low	128 Å²	128	120.8 Å²	120.8	79%	0.785	76%	0.755	S	S	*	*			trans	-101	-155.2	163.3	51.1	0	0	0	0	107.6
89	P	49.1	Very low	29.6	Very low	110 Å²	110	122.4 Å²	122.4	71%	0.714	76%	0.761	S	S	*	*			cis	-141.3	172.2	-6.6	43.1	-24.3	0	0	0	118.1
90	A	31.9	Very low	29.4	Very low	108 Å²	108	116.9 Å²	116.9	89%	0.893	75%	0.751	S	S	*	*			trans	59.4	133.6	137.8	0	0	0	0	0	124.6
91	G	24.9	Very low	29	Very low	78 Å²	78	118.5 Å²	118.5	80%	0.804	76%	0.758	S	S	*	*			trans	-164	148.9	155.2	0	0	0	0	0	108.1
92	S	29.6	Very low	28.7	Very low	127 Å²	127	122 Å²	122	89%	0.888	77%	0.768	S	S	*	*			trans	-147.2	177.8	-160.9	61.8	0	0	0	0	116.4
93	A	28.6	Very low	28.5	Very low	88 Å²	88	116.3 Å²	116.3	73%	0.727	76%	0.758	S	S	*	*			trans	89.9	111	-176.2	0	0	0	0	0	114.9
94	Q	27.7	Very low	28.2	Very low	187 Å²	187	117.8 Å²	117.8	87%	0.874	77%	0.767	S	S	*	*				76.9	144.4	80.5	-76.9	-162.7	-3.4	0	0	112.9
95	V	26.7	Very low	27.8	Very low	119 Å²	119	121.6 Å²	121.6	72%	0.721	77%	0.766	S	S	*	*			cis	-168.5	151.9	9.1	118.4	0	0	0	0	104.1
96	T	22.6	Very low	27.5	Very low	105 Å²	105	125.3 Å²	125.3	64%	0.644	78%	0.776	S	S	*	*			cis	174.3	160.9	4.8	-83.9	0	0	0	0	106.9
97	V	25.2	Very low	27.4	Very low	126 Å²	126	125.9 Å²	125.9	76%	0.764	78%	0.775	S	S	*	*			trans	159.1	93.3	142.3	158	0	0	0	0	108.5
98	T	24.6	Very low	27.4	Very low	106 Å²	106	125.9 Å²	125.9	65%	0.65	78%	0.78	S	S	*	*				52	102.9	89.4	54.7	0	0	0	0	114.9
99	S	27.7	Very low	27.1	Very low	115 Å²	115	125.7 Å²	125.7	80%	0.804	77%	0.774	S	S	*	*				84.1	155.6	76.3	75.7	0	0	0	0	113.3
100	A	25.5	Very low	25.9	Very low	81 Å²	81	128.6 Å²	128.6	67%	0.669	78%	0.775	S	S	*	*			cis	-159.7	174.8	30	0	0	0	0	0	114.5
101	I	24.1	Very low	25.5	Very low	169 Å²	169	132.5 Å²	132.5	87%	0.867	77%	0.772	S	S	*	*			trans	-121.5	137.8	155.4	-66.4	175.8	0	0	0	106.8
102	V	25.1	Very low	25.5	Very low	134 Å²	134	135.2 Å²	135.2	81%	0.812	77%	0.768	S	S	*	*			trans	-109.6	137.7	-178.5	176.2	0	0	0	0	110.8
103	T	24.5	Very low	25.1	Very low	109 Å²	109	139.4 Å²	139.4	67%	0.669	76%	0.764	S	S	*	*			trans	-93	157.3	-178.4	55.4	0	0	0	0	113.1
104	V	25.7	Very low	24.9	Very low	147 Å²	147	146.1 Å²	146.1	89%	0.891	77%	0.77	S	S	*	*			trans	-116.7	146.8	152.3	-179.3	0	0	0	0	108.9
105	R	23.3	Very low	24.7	Very low	213 Å²	213	141.5 Å²	141.5	80%	0.804	76%	0.764	S	S	*	*			trans	-131.6	153.8	176.6	-72.7	176.7	170.9	155.1	-3.8	109.2
106	D	25.2	Very low	24.7	Very low	152 Å²	152	140 Å²	140	81%	0.813	76%	0.764	S	S	*	*			trans	-164.6	126	130.6	-101.4	-10.9	0	0	0	108.1
107	V	25.3	Very low	25.2	Very low	117 Å²	117	140.7 Å²	140.7	71%	0.709	77%	0.77	S	S	*	*				96.3	112.4	66.3	161.1	0	0	0	0	112.4
108	S	25.7	Very low	25.2	Very low	124 Å²	124	140.6 Å²	140.6	87%	0.867	77%	0.771	S	S	*	*			trans	-162.5	163.2	148.9	-94.7	0	0	0	0	113.1
109	N	26.5	Very low	25.3	Very low	125 Å²	125	141.7 Å²	141.7	67%	0.668	78%	0.777	S	S	*	*			trans	-93.5	141	-152.4	-96.1	-77.7	0	0	0	116.6
110	K	23.8	Very low	25.1	Very low	171 Å²	171	145.7 Å²	145.7	74%	0.743	78%	0.78	S	S	*	*				46.5	149.7	129.2	-68.6	175	-178.7	154.1	0	122.9
111	K	24.1	Very low	25.2	Very low	189 Å²	189	145.5 Å²	145.5	82%	0.822	78%	0.778	S	S	*	*			trans	75.2	148.3	152	-78.4	177.2	176.8	-176.1	0	117
112	L	23.2	Very low	25.2	Very low	136 Å²	136	144.2 Å²	144.2	71%	0.712	78%	0.778	S	S	*	*			cis	-166.9	140.7	-21.6	-163.8	74.2	0	0	0	111.6
113	R	22.3	Very low	25.2	Very low	214 Å²	214	147.6 Å²	147.6	81%	0.808	78%	0.782	S	S	*	*			trans	58.2	131.9	150.9	-89.6	177	172.3	-178.8	-2.9	123
114	R	23.4	Very low	25.2	Very low	229 Å²	229	149.4 Å²	149.4	86%	0.864	78%	0.781	S	S	*	*				104.7	123.5	125.5	-109.5	-172.6	168.7	177	-5.3	122.1
115	A	24.8	Very low	25.2	Very low	91 Å²	91	151.2 Å²	151.2	75%	0.752	78%	0.779	S	S	*	*			trans	75.3	114.7	132	0	0	0	0	0	123
116	A	25.2	Very low	25.3	Very low	87 Å²	87	145.9 Å²	145.9	72%	0.719	76%	0.763	S	S	*	*			trans	-90.1	169.3	132.8	0	0	0	0	0	108.8
117	P	34.8	Very low	25.4	Very low	119 Å²	119	145.7 Å²	145.7	77%	0.773	76%	0.758	S	S	*	*				-121.7	166.6	55.9	5.5	20.5	0	0	0	113.8
118	T	24.5	Very low	25.3	Very low	125 Å²	125	148.8 Å²	148.8	77%	0.767	76%	0.764	S	S	*	*				85.6	145.1	51.4	-40.5	0	0	0	0	114.1
119	V	26.4	Very low	25.4	Very low	129 Å²	129	151.8 Å²	151.8	78%	0.782	77%	0.765	S	S	*	*			trans	83.6	142.4	177.4	-178.4	0	0	0	0	114.2
120	K	24.7	Very low	25.2	Very low	199 Å²	199	154.7 Å²	154.7	87%	0.865	77%	0.774	S	S	*	*			cis	-126	-119.1	8	-152.2	156.9	-173.9	176.2	0	116.6
121	A	26	Very low	25.4	Very low	77 Å²	77	155.9 Å²	155.9	64%	0.636	78%	0.78	S	S	*	*			trans	-171.6	-177.4	-148.9	0	0	0	0	0	115.5
122	T	24.5	Very low	25.8	Very low	141 Å²	141	152.6 Å²	152.6	87%	0.865	78%	0.778	S	S	*	*			trans	68	153.2	171.6	34.5	0	0	0	0	116.8
123	K	25.5	Very low	26.1	Very low	205 Å²	205	150.5 Å²	150.5	89%	0.891	78%	0.78	S	S	*	*			cis	-120.3	-145.3	17.4	-144.5	-177.2	-169.4	-173.3	0	114.9
124	K	24.5	Very low	26.8	Very low	148 Å²	148	145.6 Å²	145.6	64%	0.643	78%	0.776	S	S	*	*			trans	-163.8	136.6	-154.3	164.1	-96.5	-177.8	-168.3	0	113
125	Q	25.7	Very low	26.8	Very low	185 Å²	185	144.1 Å²	144.1	86%	0.864	78%	0.779	S	S	*	*			trans	-166.2	156	171.9	-100	-169	-104.1	0	0	109.1
126	Q	25.5	Very low	26.7	Very low	100 Å²	100	145 Å²	145	47%	0.467	78%	0.779	S	S	.	*			cis	71.4	133	-3.2	-52.9	-171.2	-109	0	0	118.3
127	E	26.4	Very low	26.8	Very low	149 Å²	149	147 Å²	147	70%	0.696	78%	0.778	S	S	*	*			cis	-162.8	157.6	-8.1	-118.9	133	-144	0	0	106.9
128	E	24.2	Very low	26.3	Very low	181 Å²	181	148.4 Å²	148.4	85%	0.846	78%	0.779	S	S	*	*				-178.1	135.4	81	-79.5	174.7	157	0	0	106.8
129	E	26.5	Very low	26.3	Very low	188 Å²	188	145.7 Å²	145.7	88%	0.879	78%	0.776	S	S	*	*				58.3	115.7	96.7	-62.3	-135.9	135.8	0	0	118.6
130	E	23.1	Very low	26.3	Very low	186 Å²	186	147.6 Å²	147.6	87%	0.869	78%	0.782	S	S	*	*				-168.6	153.2	108.7	-114.5	-167.1	150.2	0	0	112.7
131	F	27.3	Very low	26.4	Very low	196 Å²	196	146.7 Å²	146.7	86%	0.86	78%	0.778	S	S	*	*			trans	-125	144.5	166.3	-107.1	-80	0	0	0	107.1
132	P	33.7	Very low	26.3	Very low	119 Å²	119	149.1 Å²	149.1	77%	0.773	79%	0.785	S	S	*	*				-150.5	166.9	112.5	36.6	-20.6	0	0	0	116.1
133	A	28.6	Very low	26.3	Very low	93 Å²	93	147.9 Å²	147.9	77%	0.769	78%	0.778	S	S	*	*			trans	-129.4	147.3	151.5	0	0	0	0	0	107.9
134	P	36.5	Very low	26.3	Very low	110 Å²	110	145.2 Å²	145.2	71%	0.714	78%	0.779	S	S	*	*				-153.1	145.3	119.7	35	-16.7	0	0	0	117.7
135	Q	25	Very low	26.4	Very low	198 Å²	198	143.7 Å²	143.7	93%	0.925	79%	0.787	S	S	*	*			trans	66.7	179.4	139.1	-63.7	-175.2	6.6	0	0	121
136	S	23	Very low	26.5	Very low	109 Å²	109	144.8 Å²	144.8	76%	0.762	79%	0.788	S	S	*	*			trans	-99.8	173	-162.7	58.2	0	0	0	0	112.1
137	N	25.6	Very low	26.6	Very low	130 Å²	130	146.8 Å²	146.8	70%	0.695	80%	0.802	S	S	*	*				-176.1	161.5	54.1	-167.7	15.4	0	0	0	112.3
138	N	26.2	Very low	26.6	Very low	148 Å²	148	145.9 Å²	145.9	79%	0.791	81%	0.807	S	S	*	*			trans	59.4	148.5	175.2	-63.6	-31.6	0	0	0	117.5
139	G	23.5	Very low	26.9	Very low	68 Å²	68	145.3 Å²	145.3	70%	0.701	81%	0.805	S	S	*	*			cis	146.6	111.9	-10.9	0	0	0	0	0	113.4
140	N	26.1	Very low	27	Very low	169 Å²	169	139.2 Å²	139.2	90%	0.904	79%	0.792	S	S	*	*			trans	-154.2	156.8	163.3	-130.3	-23.4	0	0	0	113.2
141	K	27.8	Very low	27.4	Very low	181 Å²	181	138.5 Å²	138.5	79%	0.787	79%	0.793	S	S	*	*			trans	-91.9	175.6	-176.6	-56.1	172.3	-176.6	172.1	0	110	T143	K141-T143 HydrophobicContact CB-CG2 4.41Å
142	T	23.5	Very low	27.4	Very low	127 Å²	127	138.5 Å²	138.5	78%	0.779	79%	0.793	S	S	*	*			cis	-155.4	161.8	25	45	0	0	0	0	111.1
143	T	24.1	Very low	27.2	Very low	116 Å²	116	140.2 Å²	140.2	71%	0.712	79%	0.791	S	S	*	*			cis	-177.7	135.5	-37.4	35.2	0	0	0	0	107.3	K141	K141-T143 HydrophobicContact CB-CG2 4.41Å
144	T	26.3	Very low	27.5	Very low	149 Å²	149	142 Å²	142	91%	0.914	79%	0.794	S	S	*	*			trans	-144.1	157.9	168	6.2	0	0	0	0	111.8
145	S	26.1	Very low	27.3	Very low	116 Å²	116	141.6 Å²	141.6	81%	0.811	79%	0.794	S	S	*	*			trans	-66.8	142.4	-168.9	43.4	0	0	0	0	114.9
146	K	28.7	Very low	27.8	Very low	207 Å²	207	136.4 Å²	136.4	90%	0.9	79%	0.785	S	S	*	*			trans	-121.8	118.9	150.4	-80.8	-169.8	174	-175.9	0	108.1
147	D	26.3	Very low	28.3	Very low	142 Å²	142	141.1 Å²	141.1	76%	0.759	79%	0.792	S	S	*	*			trans	-89.1	148.5	172	-166.4	7	0	0	0	109.7
148	T	26.8	Very low	28.8	Very low	130 Å²	130	140.8 Å²	140.8	80%	0.798	80%	0.8	S	S	*	*			trans	-104.6	95.3	-173.4	45.8	0	0	0	0	111.9
149	Q	29.7	Very low	29.8	Very low	170 Å²	170	137.1 Å²	137.1	79%	0.794	79%	0.79	S	S	*	*			trans	-99.5	139	156.3	-61.8	-178.2	4.1	0	0	108.2
150	G	30	Very low	30.9	Very low	59 Å²	59	138.3 Å²	138.3	61%	0.608	78%	0.78	S	S	*	*			cis	128.3	96.6	13.1	0	0	0	0	0	107.5	F152	G150-F152 PolarHBondContact O-N 3.39Å; G150-F152 VanDerWaalsContact O-N 3.16Å
151	L	29.7	Very low	31.7	Very low	171 Å²	171	136.4 Å²	136.4	90%	0.895	77%	0.769	S	S	*	*			trans	-62.6	115.3	-169.2	-71.9	161.4	0	0	0	111.3	H153	L151-H153 PolarHBondContact O-N 2.8Å; L151-H153 VanDerWaalsContact O-N 3.15Å
152	F	27.7	Very low	32.6	Very low	196 Å²	196	133.6 Å²	133.6	86%	0.86	76%	0.763	S	S	*	*			trans	-70.1	107.4	176.5	-103.5	-93.4	0	0	0	111.1	G150	G150-F152 PolarHBondContact O-N 3.39Å; G150-F152 VanDerWaalsContact O-N 3.16Å
153	H	30.3	Very low	34.3	Very low	156 Å²	156	133.6 Å²	133.6	72%	0.722	75%	0.754	S	S	*	*			trans	-90.9	119.9	171.2	-117.8	-90.9	0	0	0	110.2	L151 S155	L151-H153 PolarHBondContact O-N 2.8Å; L151-H153 VanDerWaalsContact O-N 3.15Å; H153-S155 VanDerWaalsContact C-N 3.34Å; H153-S155 PolarHBondContact O-N 2.82Å
154	P	34.7	Very low	35.9	Very low	131 Å²	131	132.1 Å²	132.1	85%	0.851	75%	0.745	S	S	*	*	S	Bend	trans	-82	74.4	-176	33.1	-35.7	0	0	0	111.7
155	S	31.6	Very low	37.4	Very low	101 Å²	101	133 Å²	133	71%	0.706	73%	0.733	S	S	*	*			trans	-143.2	35.4	-178.5	61.5	0	0	0	0	114.3	H153	H153-S155 VanDerWaalsContact C-N 3.34Å; H153-S155 PolarHBondContact O-N 2.82Å
156	A	36.9	Very low	39.1	Very low	88 Å²	88	130.5 Å²	130.5	73%	0.727	72%	0.716	S	S	*	*			trans	-144.7	43.9	-177.8	0	0	0	0	0	114.3
157	F	33.5	Very low	40.9	Very low	208 Å²	208	129.1 Å²	129.1	91%	0.912	71%	0.706	S	S	*	*			trans	-126	74.4	171.2	-79.8	-71	0	0	0	111.9	A159	F157-A159 VanDerWaalsContact C-N 3.31Å; F157-A159 PolarHBondContact O-N 3.18Å; F157-A159 VanDerWaalsContact O-N 3.16Å
158	S	35.2	Very low	42.2	Very low	123 Å²	123	127 Å²	127	86%	0.86	69%	0.694	S	S	*	*			trans	-80.4	81.9	162.8	-178.8	0	0	0	0	108.8	N160	S158-N160 PolarHBondContact O-N 2.67Å; S158-N160 VanDerWaalsContact O-N 3.13Å
159	A	47.5	Very low	43.8	Very low	72 Å²	72	122.3 Å²	122.3	60%	0.595	67%	0.666	S	S	*	*			trans	-66	110.3	-176.6	0	0	0	0	0	111.5	F157 L161	F157-A159 VanDerWaalsContact C-N 3.31Å; F157-A159 PolarHBondContact O-N 3.18Å; F157-A159 VanDerWaalsContact O-N 3.16Å; A159-L161 PolarHBondContact O-N 3.07Å; A159-L161 VanDerWaalsContact O-N 3.13Å
160	N	46.3	Very low	45.3	Very low	92 Å²	92	121.2 Å²	121.2	49%	0.492	66%	0.661	S	S	.	*			trans	-78	97.1	174.7	-150.5	15.2	0	0	0	108.7	S158 D162 E163 T164	S158-N160 PolarHBondContact O-N 2.67Å; S158-N160 VanDerWaalsContact O-N 3.13Å; N160-D162 VanDerWaalsContact C-N 3.33Å; N160-D162 PolarHBondContact O-N 2.62Å; N160-E163 WeakPolarHBondContact CB-OE2 3.3Å; N160-E163 PolarHBondContact ND2-OE2 3.13Å; N160-E163 PolarHBondContact O-N 3Å; N160-T164 PolarHBondContact O-N 2.99Å; N160-T164 PolarHBondContact O-OG1 3.12Å
161	L	43.8	Very low	46.6	Very low	129 Å²	129	123.3 Å²	123.3	68%	0.675	66%	0.655	S	S	*	*	H	α-helix	trans	-63.3	-36.4	-167.5	-78.7	163.9	0	0	0	113	A159 T164 Y165	A159-L161 PolarHBondContact O-N 3.07Å; A159-L161 VanDerWaalsContact O-N 3.13Å; L161-T164 WeakPolarHBondContact O-CB 3.42Å; L161-T164 PolarHBondContact O-N 3.45Å; L161-Y165 WeakPolarHBondContact O-CB 3.49Å; L161-Y165 PolarHBondContact O-N 2.75Å
162	D	47.1	Very low	48.1	Very low	122 Å²	122	118.9 Å²	118.9	65%	0.652	63%	0.631	S	S	*	*	H	α-helix	trans	-70.1	-36.6	-176.5	-65.2	-24.5	0	0	0	112.6	N160 Y165 S166	N160-D162 VanDerWaalsContact C-N 3.33Å; N160-D162 PolarHBondContact O-N 2.62Å; D162-Y165 PolarHBondContact O-N 3.12Å; D162-S166 VanDerWaalsContact O-CB 3.25Å; D162-S166 WeakPolarHBondContact O-CB 3.29Å; D162-S166 PolarHBondContact O-N 2.84Å; D162-S166 PolarHBondContact O-OG 2.65Å
163	E	57.9	Low	50	Low	128 Å²	128	114.9 Å²	114.9	60%	0.598	62%	0.619	S	S	*	*	H	α-helix	trans	-67.7	-40.5	173.5	-67.5	179.2	135.2	0	0	110.9	N160 S166 Y167	N160-E163 WeakPolarHBondContact CB-OE2 3.3Å; N160-E163 PolarHBondContact ND2-OE2 3.13Å; N160-E163 PolarHBondContact O-N 3Å; E163-S166 PolarHBondContact O-N 3.14Å; E163-Y167 WeakPolarHBondContact O-CB 3.47Å; E163-Y167 PolarHBondContact O-N 2.82Å
164	T	57.3	Low	51.6	Low	85 Å²	85	111.5 Å²	111.5	52%	0.521	61%	0.613	S	S	.	*	H	α-helix	trans	-63.3	-43.4	176.4	-49.9	0	0	0	0	111.2	N160 L161 L168	N160-T164 PolarHBondContact O-N 2.99Å; N160-T164 PolarHBondContact O-OG1 3.12Å; L161-T164 WeakPolarHBondContact O-CB 3.42Å; L161-T164 PolarHBondContact O-N 3.45Å; T164-L168 VanDerWaalsContact O-CB 3.3Å; T164-L168 WeakPolarHBondContact O-CB 3.44Å; T164-L168 PolarHBondContact O-N 2.87Å
165	Y	58.5	Low	52.6	Low	168 Å²	168	113.5 Å²	113.5	66%	0.659	60%	0.604	S	S	*	*	H	α-helix	trans	-66.8	-42.7	175.6	180	-94.6	0	0	0	112.2	L161 D162 L168 S169	L161-Y165 WeakPolarHBondContact O-CB 3.49Å; L161-Y165 PolarHBondContact O-N 2.75Å; D162-Y165 PolarHBondContact O-N 3.12Å; Y165-L168 PolarHBondContact O-N 3.2Å; Y165-S169 VanDerWaalsContact O-CB 3.29Å; Y165-S169 WeakPolarHBondContact O-CB 3.43Å; Y165-S169 PolarHBondContact O-N 3.41Å; Y165-S169 PolarHBondContact O-OG 2.99Å
166	S	62	Low	54.1	Low	63 Å²	63	116 Å²	116	44%	0.441	60%	0.603	S	S	.	*	H	α-helix	trans	-63.4	-44.3	178.4	-60.9	0	0	0	0	111.4	D162 E163 S169 H170	D162-S166 VanDerWaalsContact O-CB 3.25Å; D162-S166 WeakPolarHBondContact O-CB 3.29Å; D162-S166 PolarHBondContact O-N 2.84Å; D162-S166 PolarHBondContact O-OG 2.65Å; E163-S166 PolarHBondContact O-N 3.14Å; S166-S169 PolarHBondContact O-OG 3.34Å; S166-S169 VanDerWaalsContact O-OG 3.11Å; S166-H170 WeakPolarHBondContact O-CB 3.28Å; S166-H170 PolarHBondContact O-N 2.85Å
167	Y	65.3	Low	54.5	Low	178 Å²	178	114.5 Å²	114.5	70%	0.698	60%	0.596	S	S	*	*	H	α-helix	trans	-63.7	-48.5	175.9	-173	-92.9	0	0	0	112	E163 S169 H170 H171	E163-Y167 WeakPolarHBondContact O-CB 3.47Å; E163-Y167 PolarHBondContact O-N 2.82Å; Y167-S169 PolarHBondContact O-N 3.12Å; Y167-H170 PolarHBondContact O-N 2.87Å; Y167-H171 WeakPolarHBondContact O-CB 3.27Å; Y167-H171 PolarHBondContact O-N 3.49Å
168	L	55.5	Low	55.1	Low	96 Å²	96	110 Å²	110	50%	0.503	59%	0.591	S	S	.	*	H	α-helix	trans	-64.7	-41.1	-179	-176.9	61.4	0	0	0	112.2	T164 Y165 H171 I172	T164-L168 VanDerWaalsContact O-CB 3.3Å; T164-L168 WeakPolarHBondContact O-CB 3.44Å; T164-L168 PolarHBondContact O-N 2.87Å; Y165-L168 PolarHBondContact O-N 3.2Å; L168-H171 PolarHBondContact O-N 3.04Å; L168-I172 HydrophobicContact CD1-CD1 4.09Å; L168-I172 HydrophobicContact CD1-CG1 4.41Å; L168-I172 HydrophobicContact CG-CD1 3.94Å; L168-I172 WeakPolarHBondContact O-CB 3.4Å; L168-I172 VanDerWaalsContact O-CG1 3.28Å; L168-I172 WeakPolarHBondContact O-CG1 3.37Å; L168-I172 PolarHBondContact O-N 3.05Å
169	S	60.1	Low	55.3	Low	32 Å²	32	107.6 Å²	107.6	22%	0.224	59%	0.585	C	S	.	*	H	α-helix	trans	-68.8	-38.3	176.7	58	0	0	0	0	112.4	Y165 S166 Y167 N173	Y165-S169 VanDerWaalsContact O-CB 3.29Å; Y165-S169 WeakPolarHBondContact O-CB 3.43Å; Y165-S169 PolarHBondContact O-N 3.41Å; Y165-S169 PolarHBondContact O-OG 2.99Å; S166-S169 PolarHBondContact O-OG 3.34Å; S166-S169 VanDerWaalsContact O-OG 3.11Å; Y167-S169 PolarHBondContact O-N 3.12Å; S169-N173 VanDerWaalsContact O-CB 3.27Å; S169-N173 WeakPolarHBondContact O-CB 3.11Å; S169-N173 VanDerWaalsContact O-CG 3.23Å; S169-N173 PolarHBondContact O-N 3.2Å; S169-N173 PolarHBondContact O-ND2 2.86Å
170	H	61.3	Low	54.8	Low	147 Å²	147	108.6 Å²	108.6	68%	0.681	59%	0.593	S	S	*	*	H	α-helix	trans	-62.5	-41.3	170.6	-113.7	-78.5	0	0	0	112.3	S166 Y167 N173 S174	S166-H170 WeakPolarHBondContact O-CB 3.28Å; S166-H170 PolarHBondContact O-N 2.85Å; Y167-H170 PolarHBondContact O-N 2.87Å; H170-N173 PolarHBondContact O-N 3.17Å; H170-S174 VanDerWaalsContact O-CB 3.32Å; H170-S174 WeakPolarHBondContact O-CB 3.39Å; H170-S174 PolarHBondContact O-N 3.19Å
171	H	55.9	Low	54.2	Low	104 Å²	104	114.3 Å²	114.3	48%	0.481	61%	0.614	S	S	.	*	H	α-helix	trans	-64	-47.7	178.2	-168.6	84.5	0	0	0	111.6	Y167 L168 S174 Y175	Y167-H171 WeakPolarHBondContact O-CB 3.27Å; Y167-H171 PolarHBondContact O-N 3.49Å; L168-H171 PolarHBondContact O-N 3.04Å; H171-S174 PolarHBondContact O-N 3.36Å; H171-Y175 WeakPolarHBondContact O-CB 3.25Å; H171-Y175 PolarHBondContact O-N 3Å
172	I	61.4	Low	53.5	Low	78 Å²	78	115 Å²	115	40%	0.4	62%	0.623	S	S	.	*	H	α-helix	trans	-61.1	-46.4	175.9	-70.2	168.6	0	0	0	110.9	L168 S174 Y175 F176	L168-I172 HydrophobicContact CD1-CD1 4.09Å; L168-I172 HydrophobicContact CD1-CG1 4.41Å; L168-I172 HydrophobicContact CG-CD1 3.94Å; L168-I172 WeakPolarHBondContact O-CB 3.4Å; L168-I172 VanDerWaalsContact O-CG1 3.28Å; L168-I172 WeakPolarHBondContact O-CG1 3.37Å; L168-I172 PolarHBondContact O-N 3.05Å; I172-S174 VanDerWaalsContact C-N 3.33Å; I172-S174 PolarHBondContact O-N 2.83Å; I172-Y175 PolarHBondContact O-N 3.28Å; I172-F176 HydrophobicContact CG2-CD2 3.98Å; I172-F176 WeakPolarHBondContact O-CD2 3.4Å; I172-F176 PolarHBondContact O-N 2.75Å
173	N	68.8	Low	52.7	Low	112 Å²	112	118.7 Å²	118.7	60%	0.599	64%	0.637	S	S	*	*	H	α-helix	trans	-66.5	-33.4	179.2	-73	-28.1	0	0	0	112.7	S169 H170 G177	S169-N173 VanDerWaalsContact O-CB 3.27Å; S169-N173 WeakPolarHBondContact O-CB 3.11Å; S169-N173 VanDerWaalsContact O-CG 3.23Å; S169-N173 PolarHBondContact O-N 3.2Å; S169-N173 PolarHBondContact O-ND2 2.86Å; H170-N173 PolarHBondContact O-N 3.17Å; N173-G177 VanDerWaalsContact O-CA 3.25Å; N173-G177 WeakPolarHBondContact O-CA 3.11Å; N173-G177 PolarHBondContact O-N 3.03Å
174	S	64.2	Low	51.3	Low	84 Å²	84	119.5 Å²	119.5	59%	0.587	65%	0.645	S	S	*	*	H	α-helix	trans	-66.3	-43.5	171.9	-171.4	0	0	0	0	111.8	H170 H171 I172 S178	H170-S174 VanDerWaalsContact O-CB 3.32Å; H170-S174 WeakPolarHBondContact O-CB 3.39Å; H170-S174 PolarHBondContact O-N 3.19Å; H171-S174 PolarHBondContact O-N 3.36Å; I172-S174 VanDerWaalsContact C-N 3.33Å; I172-S174 PolarHBondContact O-N 2.83Å; S174-S178 PolarHBondContact O-OG 3.39Å
175	Y	54.7	Low	49.9	Very low	173 Å²	173	124.4 Å²	124.4	68%	0.678	66%	0.659	S	S	*	*	H	α-helix	trans	-73.7	-37.1	-174.9	-158.9	-91.1	0	0	0	113	H171 I172	H171-Y175 WeakPolarHBondContact O-CB 3.25Å; H171-Y175 PolarHBondContact O-N 3Å; I172-Y175 PolarHBondContact O-N 3.28Å
176	F	63.1	Low	48.4	Very low	154 Å²	154	126.8 Å²	126.8	68%	0.675	67%	0.673	S	S	*	*	H	α-helix	trans	-105.3	-18	-176.9	-66.5	-78.1	0	0	0	114.8	I172 S178	I172-F176 HydrophobicContact CG2-CD2 3.98Å; I172-F176 WeakPolarHBondContact O-CD2 3.4Å; I172-F176 PolarHBondContact O-N 2.75Å; F176-S178 VanDerWaalsContact C-N 3.27Å; F176-S178 PolarHBondContact O-N 2.71Å
177	G	44.4	Very low	46.8	Very low	57 Å²	57	126.7 Å²	126.7	59%	0.588	68%	0.682	S	S	*	*	H	α-helix	trans	-71.9	-18.2	179	0	0	0	0	0	114.5	N173 G179	N173-G177 VanDerWaalsContact O-CA 3.25Å; N173-G177 WeakPolarHBondContact O-CA 3.11Å; N173-G177 PolarHBondContact O-N 3.03Å; G177-G179 PolarHBondContact O-N 3.46Å
178	S	46.5	Very low	45	Very low	114 Å²	114	125.4 Å²	125.4	80%	0.797	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.6	43.3	-176.7	-58.8	0	0	0	0	113.4	S174 F176	S174-S178 PolarHBondContact O-OG 3.39Å; F176-S178 VanDerWaalsContact C-N 3.27Å; F176-S178 PolarHBondContact O-N 2.71Å
179	G	40.4	Very low	43.7	Very low	71 Å²	71	128 Å²	128	73%	0.732	70%	0.702	S	S	*	*	T	Hydrogen-bonded Turn	trans	-134.1	4.2	-165.6	0	0	0	0	0	117.8	G177	G177-G179 PolarHBondContact O-N 3.46Å
180	A	36.9	Very low	42.3	Very low	94 Å²	94	131.9 Å²	131.9	78%	0.777	72%	0.724	S	S	*	*			trans	-150.7	60.4	-172.5	0	0	0	0	0	115.9
181	K	32.3	Very low	40.8	Very low	211 Å²	211	131 Å²	131	92%	0.917	73%	0.725	S	S	*	*			trans	-136.1	100.9	161.8	-77.5	-166.6	177.1	179.3	0	112.8
182	T	29.7	Very low	39.4	Very low	144 Å²	144	132.6 Å²	132.6	88%	0.883	74%	0.736	S	S	*	*			trans	-78.6	115	166.3	13.8	0	0	0	0	110.8
183	Q	31	Very low	37.7	Very low	200 Å²	200	136 Å²	136	94%	0.935	76%	0.755	S	S	*	*			trans	-159.9	157.7	143.2	-114.4	172.8	15.7	0	0	111.3
184	N	28.3	Very low	36.9	Very low	145 Å²	145	136.1 Å²	136.1	78%	0.775	76%	0.763	S	S	*	*			trans	-114.2	139.3	-167.5	-109.4	-58.8	0	0	0	112.1
185	K	27.7	Very low	35.9	Very low	188 Å²	188	137.6 Å²	137.6	82%	0.817	77%	0.77	S	S	*	*			trans	56.3	106.2	151.6	-62.8	-174.9	176	-173.4	0	120
186	K	27.6	Very low	35.6	Very low	217 Å²	217	134.4 Å²	134.4	94%	0.943	77%	0.771	S	S	*	*				157.8	137.7	127.6	-90	179.1	176.7	-170.1	0	108.1
187	G	26.7	Very low	34.1	Very low	62 Å²	62	131.8 Å²	131.8	64%	0.639	77%	0.771	S	S	*	*			cis	-178.6	158.7	-7.5	0	0	0	0	0	110.3
188	D	28.6	Very low	33.2	Very low	151 Å²	151	137.8 Å²	137.8	81%	0.807	78%	0.784	S	S	*	*			trans	57.6	123.4	156.9	-47.6	-23.9	0	0	0	122
189	N	27.5	Very low	33	Very low	149 Å²	149	137.1 Å²	137.1	80%	0.797	78%	0.777	S	S	*	*				90	133.4	128.8	-77.8	-6.8	0	0	0	125.3
190	V	32	Very low	32.4	Very low	115 Å²	115	142.9 Å²	142.9	70%	0.697	79%	0.785	S	S	*	*			trans	87.2	97.5	137.7	171.7	0	0	0	0	120.4
191	D	28.3	Very low	31.9	Very low	129 Å²	129	147.2 Å²	147.2	69%	0.69	79%	0.789	S	S	*	*				65.6	129.4	120.9	-58.1	-11.6	0	0	0	126.1
192	N	27.3	Very low	32.6	Very low	136 Å²	136	141.9 Å²	141.9	73%	0.727	78%	0.776	S	S	*	*			trans	63.1	107	132.9	-61.8	-33.2	0	0	0	123.3
193	N	26.6	Very low	32.6	Very low	150 Å²	150	140 Å²	140	80%	0.802	77%	0.769	S	S	*	*				17.9	154.5	115.5	-71.7	-18.7	0	0	0	120.7
194	P	50.4	Low	32.6	Very low	115 Å²	115	137.2 Å²	137.2	75%	0.747	76%	0.76	S	S	*	*			cis	-134.9	-129.5	-17	34.5	-8.3	0	0	0	110.1
195	P	44.3	Very low	32.6	Very low	115 Å²	115	137.7 Å²	137.7	75%	0.747	76%	0.762	S	S	*	*			cis	-124.4	-103.8	-25.8	26.3	1.5	0	0	0	116.8
196	P	48.4	Very low	32.8	Very low	106 Å²	106	134.9 Å²	134.9	69%	0.688	76%	0.76	S	S	*	*			trans	-142.8	179.3	-138.6	43.3	-19.6	0	0	0	121.6
197	S	30.2	Very low	33.4	Very low	99 Å²	99	130.1 Å²	130.1	69%	0.692	75%	0.752	S	S	*	*			trans	69.9	112.3	139	60	0	0	0	0	125.8
198	Q	26.5	Very low	33.6	Very low	182 Å²	182	133.7 Å²	133.7	85%	0.85	76%	0.76	S	S	*	*				57.1	173.9	121.4	-91.4	-172.6	4.5	0	0	122.5
199	P	43.1	Very low	33.6	Very low	101 Å²	101	131.7 Å²	131.7	66%	0.656	76%	0.758	S	S	*	*			cis	-138	-164.3	-21.6	29.1	-4.6	0	0	0	115.4
200	Q	27.7	Very low	33.6	Very low	192 Å²	192	130.6 Å²	130.6	90%	0.897	75%	0.752	S	S	*	*			trans	122.7	170.7	148.1	-58.6	-162.5	-14.8	0	0	121
201	Q	26.5	Very low	33.4	Very low	185 Å²	185	134 Å²	134	86%	0.864	76%	0.758	S	S	*	*			trans	-153.4	-167.5	-153.5	-133.3	-169.8	12.4	0	0	109.5
202	P	47.3	Very low	33.4	Very low	99 Å²	99	133.1 Å²	133.1	64%	0.643	77%	0.768	S	S	*	*			cis	-139.3	-154.5	-17.5	42	-20.2	0	0	0	115.5
203	S	29.4	Very low	33.4	Very low	104 Å²	104	130.4 Å²	130.4	73%	0.727	77%	0.773	S	S	*	*			trans	83.4	152	157.5	82	0	0	0	0	119.8
204	D	30	Very low	33.4	Very low	141 Å²	141	135.3 Å²	135.3	75%	0.754	78%	0.78	S	S	*	*			cis	-163.8	166.5	-10.8	-126.8	-34.4	0	0	0	116.9
205	L	29	Very low	32.3	Very low	156 Å²	156	134.9 Å²	134.9	82%	0.817	79%	0.786	S	S	*	*			trans	68.6	164.6	150.5	-69.3	169	0	0	0	126.3
206	V	30.8	Very low	31.5	Very low	128 Å²	128	133.7 Å²	133.7	78%	0.776	79%	0.786	S	S	*	*			trans	-147.5	161.5	-174.2	-152.1	0	0	0	0	110.9
207	P	41.8	Very low	30.9	Very low	118 Å²	118	134.1 Å²	134.1	77%	0.766	79%	0.789	S	S	*	*				-160	146.5	106.4	39.1	-18.5	0	0	0	120.8
208	V	29.8	Very low	30.7	Very low	136 Å²	136	134.9 Å²	134.9	82%	0.824	79%	0.789	S	S	*	*			trans	33.9	131.3	132.7	-172.4	0	0	0	0	123.5
209	S	29.1	Very low	30.7	Very low	109 Å²	109	132.3 Å²	132.3	76%	0.762	79%	0.786	S	S	*	*				169.9	121.2	113.6	-158.2	0	0	0	0	119
210	D	28	Very low	30.5	Very low	126 Å²	126	132.8 Å²	132.8	67%	0.674	79%	0.789	S	S	*	*			trans	45	144.8	135.1	-127.1	13.7	0	0	0	129.8
211	K	28	Very low	30.4	Very low	188 Å²	188	128.9 Å²	128.9	82%	0.817	78%	0.783	S	S	*	*			trans	80.1	166.6	150.2	-82.9	176.2	-176.9	87.3	0	124
212	A	28	Very low	30.5	Very low	109 Å²	109	125 Å²	125	90%	0.901	78%	0.776	S	S	*	*			trans	-137.1	163	-156.1	0	0	0	0	0	115.3
213	G	25.9	Very low	29.7	Very low	80 Å²	80	125.4 Å²	125.4	83%	0.825	78%	0.781	S	S	*	*			trans	-164.8	168	178.5	0	0	0	0	0	114.1
214	R	27.1	Very low	29.8	Very low	252 Å²	252	130.6 Å²	130.6	95%	0.951	79%	0.791	S	S	*	*			trans	-147.1	106.1	-167.3	-179	-166.7	-169.3	-169.5	6	113.1
215	A	27.3	Very low	29.8	Very low	106 Å²	106	134 Å²	134	88%	0.876	80%	0.799	S	S	*	*			trans	-165.8	168.8	166.4	0	0	0	0	0	113.1
216	A	27.6	Very low	29.8	Very low	91 Å²	91	131.5 Å²	131.5	75%	0.752	80%	0.795	S	S	*	*			trans	-139.2	175.3	168.7	0	0	0	0	0	107.1
217	P	36.2	Very low	30.1	Very low	114 Å²	114	133.9 Å²	133.9	74%	0.74	80%	0.802	S	S	*	*			cis	-148.2	-170.3	19.4	33.2	-6.1	0	0	0	118
218	V	26.9	Very low	30	Very low	115 Å²	115	131.6 Å²	131.6	70%	0.697	80%	0.8	S	S	*	*			trans	79	104.5	155.8	-143.5	0	0	0	0	122.1
219	T	26.2	Very low	30.2	Very low	129 Å²	129	133.7 Å²	133.7	79%	0.791	80%	0.801	S	S	*	*			trans	67.1	160.7	146.1	54.4	0	0	0	0	122.8
220	P	37.9	Very low	30.3	Very low	110 Å²	110	138.9 Å²	138.9	71%	0.714	81%	0.805	S	S	*	*			cis	-134	175.3	-13.8	26.6	-4.3	0	0	0	117.4
221	S	25.6	Very low	30.7	Very low	110 Å²	110	141.3 Å²	141.3	77%	0.769	82%	0.818	S	S	*	*			trans	95	146.3	145.5	81.7	0	0	0	0	122.1
222	S	29.2	Very low	30.8	Very low	104 Å²	104	136.6 Å²	136.6	73%	0.727	81%	0.808	S	S	*	*			trans	34.4	102.7	171.1	58.1	0	0	0	0	119.4
223	S	29.9	Very low	30.9	Very low	107 Å²	107	141.7 Å²	141.7	75%	0.748	81%	0.805	S	S	*	*				81.6	84	63.6	76.5	0	0	0	0	116.4
224	K	32	Very low	31.1	Very low	213 Å²	213	143.2 Å²	143.2	93%	0.926	80%	0.803	S	S	*	*			trans	-179.8	105	141.5	-99.4	156	-173.5	177.9	0	111.1
225	K	30.2	Very low	31.5	Very low	212 Å²	212	135.7 Å²	135.7	92%	0.922	80%	0.795	S	S	*	*			trans	-147.6	153.2	163.4	-72.6	-173.3	179.5	-178.6	0	105
226	S	29	Very low	32	Very low	105 Å²	105	136.1 Å²	136.1	73%	0.734	79%	0.789	S	S	*	*			cis	169.9	141.6	-12.1	175.9	0	0	0	0	101.9	G228	S226-G228 PolarHBondContact O-N 2.76Å
227	L	35.6	Very low	32.3	Very low	178 Å²	178	138.2 Å²	138.2	93%	0.932	79%	0.793	S	S	*	*	S	Bend	trans	-78.9	47	-169.1	-161.7	74	0	0	0	113.4
228	G	41.1	Very low	32.1	Very low	70 Å²	70	139.4 Å²	139.4	72%	0.722	80%	0.797	S	S	*	*			trans	-114.7	19.9	-165.4	0	0	0	0	0	116.3	S226	S226-G228 PolarHBondContact O-N 2.76Å
229	Q	33.7	Very low	32.2	Very low	180 Å²	180	142.5 Å²	142.5	84%	0.841	80%	0.804	S	S	*	*			trans	-144	23.2	-168	-149.6	155.3	-3.7	0	0	115.5
230	Y	31.8	Very low	32.4	Very low	218 Å²	218	140.5 Å²	140.5	86%	0.855	80%	0.801	S	S	*	*	S	Bend	trans	-104.8	8.3	-179.3	-113.1	-77.2	0	0	0	115.1
231	L	35.1	Very low	31.9	Very low	177 Å²	177	145.5 Å²	145.5	93%	0.927	81%	0.812	S	S	*	*	S	Bend	trans	-131.4	61.2	-176.8	-68.7	177.2	0	0	0	112.5
232	S	30.6	Very low	32.2	Very low	88 Å²	88	147 Å²	147	62%	0.615	82%	0.816	S	S	*	*			trans	-156.2	156.5	159.8	60.8	0	0	0	0	111.2
233	Y	29.8	Very low	32	Very low	216 Å²	216	145.8 Å²	145.8	85%	0.847	82%	0.82	S	S	*	*			trans	66.3	113.8	-170.8	-61.3	-89.7	0	0	0	113.9
234	S	31.5	Very low	32.1	Very low	112 Å²	112	147.6 Å²	147.6	78%	0.783	82%	0.821	S	S	*	*				82.9	134.5	50.4	-164.8	0	0	0	0	112.6
235	A	34.9	Very low	32	Very low	94 Å²	94	147.9 Å²	147.9	78%	0.777	82%	0.818	S	S	*	*			trans	-90.5	154	-167.8	0	0	0	0	0	113.1
236	P	37.8	Very low	32.2	Very low	115 Å²	115	145.7 Å²	145.7	75%	0.747	82%	0.815	S	S	*	*			trans	-110.5	134.9	154.7	34.8	-26.6	0	0	0	112.2
237	T	33.1	Very low	32.2	Very low	136 Å²	136	144.5 Å²	144.5	83%	0.834	81%	0.811	S	S	*	*			trans	-60.1	142.3	161.9	-48.8	0	0	0	0	110.4
238	V	31.4	Very low	32.2	Very low	138 Å²	138	141.8 Å²	141.8	84%	0.836	81%	0.805	S	S	*	*			trans	-123.9	134.4	159.2	-178.7	0	0	0	0	108.9
239	Q	29.9	Very low	31.6	Very low	180 Å²	180	146.7 Å²	146.7	84%	0.841	81%	0.814	S	S	*	*			trans	-94.1	160.3	-168.6	-160.8	163.3	-20.3	0	0	111
240	A	30.8	Very low	31.7	Very low	88 Å²	88	143.3 Å²	143.3	73%	0.727	81%	0.805	S	S	*	*			trans	-66.9	149.2	-176.5	0	0	0	0	0	113
241	F	26.9	Very low	31.6	Very low	214 Å²	214	138.5 Å²	138.5	94%	0.939	80%	0.8	S	S	*	*			trans	-131.7	149.7	158	-117.9	-89.8	0	0	0	110.5
242	V	31.7	Very low	31.3	Very low	142 Å²	142	138.9 Å²	138.9	86%	0.861	80%	0.795	S	S	*	*			trans	-102.3	140	-169	177.6	0	0	0	0	110.5
243	G	26.3	Very low	31.3	Very low	79 Å²	79	144.6 Å²	144.6	81%	0.814	81%	0.809	S	S	*	*			trans	-156.1	122.3	171	0	0	0	0	0	110.6
244	N	30.4	Very low	31.3	Very low	144 Å²	144	145.9 Å²	145.9	77%	0.77	81%	0.812	S	S	*	*			trans	-107.4	-177.2	177.2	-151.2	-6.5	0	0	0	109.8
245	Y	31.4	Very low	31.2	Very low	219 Å²	219	145.3 Å²	145.3	86%	0.859	81%	0.814	S	S	*	*			trans	71	146.1	-169.9	-49.3	-86.6	0	0	0	112.2
246	I	33.6	Very low	30.8	Very low	166 Å²	166	144.6 Å²	144.6	85%	0.851	82%	0.815	S	S	*	*			cis	-128.3	156.3	21.9	-66.3	167.9	0	0	0	111.2
247	A	29	Very low	30.4	Very low	80 Å²	80	148.2 Å²	148.2	66%	0.661	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-76.1	158.4	179.1	0	0	0	0	0	114.2	L249	A247-L249 PolarHBondContact O-N 2.72Å
248	P	35.4	Very low	30.2	Very low	122 Å²	122	147.8 Å²	147.8	79%	0.792	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-77.4	122.2	-176.4	30.4	-34.8	0	0	0	113.3
249	L	29.5	Very low	30.1	Very low	173 Å²	173	150.9 Å²	150.9	91%	0.906	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-80.8	125	167.5	-92.1	163.3	0	0	0	110.7	A247	A247-L249 PolarHBondContact O-N 2.72Å
250	V	34.5	Very low	29.9	Very low	108 Å²	108	147.2 Å²	147.2	66%	0.655	82%	0.822	S	S	*	*			trans	-109.6	113.6	178.9	177.7	0	0	0	0	110.2	K252	V250-K252 HydrophobicContact CG1-CG 4.34Å; V250-K252 PolarHBondContact O-N 3.36Å
251	P	29.3	Very low	29.7	Very low	118 Å²	118	150.1 Å²	150.1	77%	0.766	83%	0.831	S	S	*	*			trans	-75.8	105.6	165.5	-12.1	28.9	0	0	0	109.8
252	K	29.9	Very low	29.8	Very low	185 Å²	185	144.5 Å²	144.5	80%	0.804	82%	0.823	S	S	*	*			trans	-87	124.8	163.6	-76.9	-179	178.7	173.8	0	109.1	V250	V250-K252 HydrophobicContact CG1-CG 4.34Å; V250-K252 PolarHBondContact O-N 3.36Å
253	F	30.2	Very low	29.6	Very low	207 Å²	207	147 Å²	147	91%	0.908	83%	0.828	S	S	*	*			trans	-129.2	123.8	156.3	-86.3	-79.3	0	0	0	111
254	R	29.9	Very low	29.5	Very low	244 Å²	244	151.9 Å²	151.9	92%	0.921	83%	0.83	S	S	*	*			trans	-121.2	153.7	161.1	-100.9	-174	171.1	178.7	-3.9	104.8
255	A	30.2	Very low	29.4	Very low	99 Å²	99	153.4 Å²	153.4	82%	0.818	83%	0.832	S	S	*	*			cis	-156	171.8	-8.5	0	0	0	0	0	108
256	G	25.9	Very low	29.1	Very low	79 Å²	79	152.2 Å²	152.2	81%	0.814	83%	0.831	S	S	*	*			trans	-170.8	137.2	171.6	0	0	0	0	0	110.3
257	E	29.3	Very low	28.9	Very low	191 Å²	191	153.8 Å²	153.8	89%	0.893	83%	0.832	S	S	*	*			trans	-103.4	151.9	-171.8	-56.5	-177.9	128.5	0	0	112.7
258	S	29.3	Very low	29.1	Very low	127 Å²	127	155.8 Å²	155.8	89%	0.888	84%	0.838	S	S	*	*			trans	-172.2	166.2	136.6	25.7	0	0	0	0	110.5
259	K	28.1	Very low	28.8	Very low	203 Å²	203	159.2 Å²	159.2	88%	0.883	84%	0.844	S	S	*	*			trans	-103.4	163.5	-166.8	-71.9	177.8	178.9	172.9	0	113.8
260	S	27.5	Very low	29.1	Very low	104 Å²	104	155.8 Å²	155.8	73%	0.727	84%	0.84	S	S	*	*			trans	-41.2	146.2	166.7	54.9	0	0	0	0	117
261	T	26.2	Very low	28.9	Very low	149 Å²	149	156.8 Å²	156.8	91%	0.914	85%	0.846	S	S	*	*				-155.2	165.9	118.1	20.4	0	0	0	0	109.9
262	A	28.7	Very low	29.2	Very low	95 Å²	95	158.3 Å²	158.3	79%	0.785	85%	0.854	S	S	*	*			trans	-111.4	156.9	175.9	0	0	0	0	0	110.9
263	M	26.4	Very low	29.4	Very low	196 Å²	196	155.2 Å²	155.2	97%	0.966	85%	0.85	S	S	*	*			trans	-167.3	166	146.3	-107.1	178.9	108.2	0	0	110.9
264	E	25.8	Very low	29.8	Very low	181 Å²	181	154.5 Å²	154.5	85%	0.846	85%	0.847	S	S	*	*			trans	-104.7	178.4	-168.4	-62.5	179.6	101.6	0	0	114.3
265	E	27.3	Very low	30.3	Very low	175 Å²	175	148.5 Å²	148.5	82%	0.818	84%	0.839	S	S	*	*			trans	60	122.5	165.1	-56	-154.3	137.5	0	0	118.6
266	K	25.7	Very low	30.7	Very low	194 Å²	194	150.1 Å²	150.1	84%	0.843	84%	0.839	S	S	*	*				-157.5	167.6	65.5	-92.7	-179.6	176.2	172.6	0	114.5
267	K	28.2	Very low	31.3	Very low	199 Å²	199	153 Å²	153	87%	0.865	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-67.7	151.2	166.6	-90.6	179.1	174.9	172.5	0	112.2
268	P	34.7	Very low	32.2	Very low	122 Å²	122	146.9 Å²	146.9	79%	0.792	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-81.1	149.5	173.6	34.1	-35.1	0	0	0	112.5
269	E	28.1	Very low	33.3	Very low	195 Å²	195	145.9 Å²	145.9	91%	0.911	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-83.2	156.8	159.6	-67.4	-169.6	136.5	0	0	110.7
270	A	35.5	Very low	34.4	Very low	100 Å²	100	140 Å²	140	83%	0.826	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-93	127.5	-170.2	0	0	0	0	0	112.8
271	V	30.8	Very low	35.8	Very low	129 Å²	129	137.6 Å²	137.6	78%	0.782	77%	0.765	S	S	*	*			trans	-118.9	113.8	162.8	-178.7	0	0	0	0	108.9	V273	V271-V273 HydrophobicContact CG1-CG2 4.29Å; V271-V273 PolarHBondContact O-N 3.36Å
272	T	35.9	Very low	37.3	Very low	150 Å²	150	138.7 Å²	138.7	92%	0.92	75%	0.752	S	S	*	*			trans	-77.4	97.8	-179	13.1	0	0	0	0	111.5
273	V	33.4	Very low	38.8	Very low	121 Å²	121	141.1 Å²	141.1	73%	0.733	75%	0.747	S	S	*	*			trans	-103.4	124.5	167.4	-175	0	0	0	0	109.3	V271 P275	V271-V273 HydrophobicContact CG1-CG2 4.29Å; V271-V273 PolarHBondContact O-N 3.36Å; V273-P275 WeakPolarHBondContact O-CD 3.28Å
274	K	39	Very low	40.6	Very low	192 Å²	192	137.4 Å²	137.4	84%	0.835	73%	0.727	S	S	*	*			trans	-71.5	124	173.1	-70.4	179.1	178.5	176.6	0	109.7	T276	K274-T276 PolarHBondContact O-N 2.9Å
275	P	39.8	Very low	42.5	Very low	117 Å²	117	132.3 Å²	132.3	76%	0.76	71%	0.712	S	S	*	*			trans	-79.1	108.9	165.9	31.1	-30.7	0	0	0	109.7	V273 E277	V273-P275 WeakPolarHBondContact O-CD 3.28Å; P275-E277 PolarHBondContact O-N 3.44Å
276	T	39.6	Very low	44.6	Very low	133 Å²	133	125.7 Å²	125.7	82%	0.816	69%	0.687	S	S	*	*			trans	-72.5	106.6	154.7	39.6	0	0	0	0	107.9	K274 S278	K274-T276 PolarHBondContact O-N 2.9Å; T276-S278 PolarHBondContact O-N 2.79Å; T276-S278 VanDerWaalsContact O-N 3.17Å
277	E	38.2	Very low	47.1	Very low	139 Å²	139	119.1 Å²	119.1	65%	0.65	67%	0.669	S	S	*	*			trans	-59	117.4	174.7	-69.4	-170.2	172.5	0	0	110.3	P275 R282	P275-E277 PolarHBondContact O-N 3.44Å; E277-R282 IonicContact OE2-CZ 3.98Å; E277-R282 IonicContact OE2-NH1 3.25Å; E277-R282 PolarHBondContact OE2-NH1 3.01Å
278	S	47.7	Very low	49.6	Very low	64 Å²	64	114.7 Å²	114.7	45%	0.448	65%	0.651	S	S	.	*			trans	-83.1	144.9	166.2	61.8	0	0	0	0	109.6	T276 V280 S281	T276-S278 PolarHBondContact O-N 2.79Å; T276-S278 VanDerWaalsContact O-N 3.17Å; S278-V280 PolarHBondContact O-N 3.42Å; S278-V280 VanDerWaalsContact O-N 3.12Å; S278-S281 PolarHBondContact O-N 3.14Å; S278-S281 PolarHBondContact O-OG 3.16Å; S278-S281 VanDerWaalsContact O-OG 3.07Å
279	P	52.7	Low	51.6	Low	105 Å²	105	115 Å²	115	68%	0.682	64%	0.642	S	S	*	*	H	α-helix	trans	-60.2	-28.3	-176.5	22	-32.8	0	0	0	113.1	S281 R282 E283	P279-S281 PolarHBondContact O-N 3.05Å; P279-R282 WeakPolarHBondContact O-CB 3.16Å; P279-R282 PolarHBondContact O-N 2.96Å; P279-E283 PolarHBondContact O-N 3.42Å
280	V	52	Low	54.2	Low	79 Å²	79	112.3 Å²	112.3	48%	0.479	63%	0.627	S	S	.	*	H	α-helix	trans	-62.8	-39	-179.1	-176.4	0	0	0	0	112.7	S278 R282 E283 Q284	S278-V280 PolarHBondContact O-N 3.42Å; S278-V280 VanDerWaalsContact O-N 3.12Å; V280-R282 VanDerWaalsContact C-N 3.25Å; V280-R282 PolarHBondContact O-N 3.23Å; V280-E283 PolarHBondContact O-N 3.29Å; V280-Q284 HydrophobicContact CG1-CG 4.39Å; V280-Q284 WeakPolarHBondContact O-CB 3.41Å; V280-Q284 WeakPolarHBondContact O-CG 3.35Å; V280-Q284 PolarHBondContact O-N 3.12Å
281	S	56.6	Low	56.4	Low	55 Å²	55	109.8 Å²	109.8	39%	0.385	61%	0.607	S	S	.	*	H	α-helix	trans	-68	-29.8	-179.8	68.4	0	0	0	0	112	S278 P279 S285	S278-S281 PolarHBondContact O-N 3.14Å; S278-S281 PolarHBondContact O-OG 3.16Å; S278-S281 VanDerWaalsContact O-OG 3.07Å; P279-S281 PolarHBondContact O-N 3.05Å; S281-S285 VanDerWaalsContact O-CB 3.23Å; S281-S285 WeakPolarHBondContact O-CB 3.28Å; S281-S285 PolarHBondContact O-N 3.11Å
282	R	57.5	Low	58.7	Low	171 Å²	171	109.1 Å²	109.1	65%	0.645	59%	0.593	S	S	*	*	H	α-helix	trans	-73.5	-38.1	179	-153	166.3	-175.8	142.2	-6.3	111.6	E277 P279 V280 A286	E277-R282 IonicContact OE2-CZ 3.98Å; E277-R282 IonicContact OE2-NH1 3.25Å; E277-R282 PolarHBondContact OE2-NH1 3.01Å; P279-R282 WeakPolarHBondContact O-CB 3.16Å; P279-R282 PolarHBondContact O-N 2.96Å; V280-R282 VanDerWaalsContact C-N 3.25Å; V280-R282 PolarHBondContact O-N 3.23Å; R282-A286 WeakPolarHBondContact O-CB 3.22Å; R282-A286 PolarHBondContact O-N 2.93Å
283	E	60	Low	60.7	Low	146 Å²	146	108 Å²	108	68%	0.682	58%	0.575	S	S	*	*	H	α-helix	trans	-69.1	-42.3	171.1	-68.8	-164.7	121.4	0	0	112.5	P279 V280 A286 A287	P279-E283 PolarHBondContact O-N 3.42Å; V280-E283 PolarHBondContact O-N 3.29Å; E283-A286 PolarHBondContact O-N 2.78Å; E283-A287 WeakPolarHBondContact O-CB 3.36Å; E283-A287 PolarHBondContact O-N 2.83Å
284	Q	64.4	Low	62.8	Low	118 Å²	118	107.4 Å²	107.4	55%	0.551	57%	0.567	S	S	*	*	H	α-helix	trans	-63	-44.9	176.4	-73.7	174.8	-13.7	0	0	111.7	V280 A286 A287 E288	V280-Q284 HydrophobicContact CG1-CG 4.39Å; V280-Q284 WeakPolarHBondContact O-CB 3.41Å; V280-Q284 WeakPolarHBondContact O-CG 3.35Å; V280-Q284 PolarHBondContact O-N 3.12Å; Q284-A286 PolarHBondContact O-N 3.1Å; Q284-A287 WeakPolarHBondContact O-CB 3.22Å; Q284-A287 PolarHBondContact O-N 3.28Å; Q284-A287 VanDerWaalsContact O-N 3.15Å; Q284-E288 PolarHBondContact O-N 2.92Å
285	S	65.6	Low	64.6	Low	75 Å²	75	102.9 Å²	102.9	52%	0.524	55%	0.552	S	S	.	*	H	α-helix	trans	-59	-44.7	173.6	-176.7	0	0	0	0	112	S281 A287 E288 E289	S281-S285 VanDerWaalsContact O-CB 3.23Å; S281-S285 WeakPolarHBondContact O-CB 3.28Å; S281-S285 PolarHBondContact O-N 3.11Å; S285-A287 VanDerWaalsContact C-N 3.32Å; S285-A287 PolarHBondContact O-N 3.4Å; S285-E288 PolarHBondContact O-N 3.32Å; S285-E289 PolarHBondContact O-N 2.82Å
286	A	72.1	Confident	66.4	Low	35 Å²	35	101.7 Å²	101.7	29%	0.289	54%	0.539	S	S	.	.	H	α-helix	trans	-67.2	-29.8	175.7	0	0	0	0	0	113.3	R282 E283 Q284 K290	R282-A286 WeakPolarHBondContact O-CB 3.22Å; R282-A286 PolarHBondContact O-N 2.93Å; E283-A286 PolarHBondContact O-N 2.78Å; Q284-A286 PolarHBondContact O-N 3.1Å; A286-K290 WeakPolarHBondContact O-CB 3.39Å; A286-K290 WeakPolarHBondContact O-CD 3.41Å; A286-K290 WeakPolarHBondContact O-CG 3.34Å; A286-K290 PolarHBondContact O-N 3.32Å; A286-K290 VanDerWaalsContact O-N 3.11Å
287	A	76.8	Confident	68.1	Low	56 Å²	56	100.1 Å²	100.1	46%	0.463	52%	0.522	S	S	.	.	H	α-helix	trans	-72	-41.8	173.2	0	0	0	0	0	111.6	E283 Q284 S285 K290 A291	E283-A287 WeakPolarHBondContact O-CB 3.36Å; E283-A287 PolarHBondContact O-N 2.83Å; Q284-A287 WeakPolarHBondContact O-CB 3.22Å; Q284-A287 PolarHBondContact O-N 3.28Å; Q284-A287 VanDerWaalsContact O-N 3.15Å; S285-A287 VanDerWaalsContact C-N 3.32Å; S285-A287 PolarHBondContact O-N 3.4Å; A287-K290 PolarHBondContact O-N 3.33Å; A287-A291 WeakPolarHBondContact O-CB 3.45Å; A287-A291 PolarHBondContact O-N 3.49Å
288	E	80.3	Confident	69.7	Low	107 Å²	107	101.6 Å²	101.6	50%	0.5	52%	0.522	S	S	.	.	H	α-helix	trans	-62.4	-42.3	171.7	-81	-166.8	-149.4	0	0	112.6	Q284 S285 K290 A291 K292	Q284-E288 PolarHBondContact O-N 2.92Å; S285-E288 PolarHBondContact O-N 3.32Å; E288-K290 VanDerWaalsContact C-N 3.35Å; E288-A291 PolarHBondContact O-N 3.01Å; E288-K292 WeakPolarHBondContact O-CB 3.46Å; E288-K292 WeakPolarHBondContact O-CD 3.12Å; E288-K292 VanDerWaalsContact O-CG 3.27Å; E288-K292 WeakPolarHBondContact O-CG 3.43Å; E288-K292 PolarHBondContact O-N 2.96Å; E288-K292 IonicContact OE2-NZ 3.57Å; E288-K292 PolarHBondContact OE2-NZ 3.2Å
289	E	78.3	Confident	71	Confident	127 Å²	127	104 Å²	104	59%	0.593	53%	0.526	S	S	*	.	H	α-helix	trans	-62.8	-43.6	176.8	-162.9	-160.1	147.3	0	0	110.7	S285 A291 K292 K293	S285-E289 PolarHBondContact O-N 2.82Å; E289-A291 PolarHBondContact O-N 3.48Å; E289-K292 PolarHBondContact O-N 2.9Å; E289-K293 VanDerWaalsContact O-CB 3.24Å; E289-K293 WeakPolarHBondContact O-CB 3.35Å; E289-K293 PolarHBondContact O-N 3.27Å
290	K	82.1	Confident	72.2	Confident	139 Å²	139	106.2 Å²	106.2	60%	0.604	53%	0.525	S	S	*	.	H	α-helix	trans	-59.5	-43.5	172.1	-73.1	165	-172.2	171	0	111.7	A286 A287 E288 K293 L294	A286-K290 WeakPolarHBondContact O-CB 3.39Å; A286-K290 WeakPolarHBondContact O-CD 3.41Å; A286-K290 WeakPolarHBondContact O-CG 3.34Å; A286-K290 PolarHBondContact O-N 3.32Å; A286-K290 VanDerWaalsContact O-N 3.11Å; A287-K290 PolarHBondContact O-N 3.33Å; E288-K290 VanDerWaalsContact C-N 3.35Å; K290-K293 PolarHBondContact O-N 3.16Å; K290-L294 WeakPolarHBondContact O-CB 3.45Å; K290-L294 VanDerWaalsContact O-CG 3.29Å; K290-L294 WeakPolarHBondContact O-CG 3.38Å; K290-L294 PolarHBondContact O-N 2.77Å
291	A	80.7	Confident	73.3	Confident	48 Å²	48	107.6 Å²	107.6	40%	0.397	53%	0.528	S	S	.	.	H	α-helix	trans	-64	-46.7	177.7	0	0	0	0	0	112.1	A287 E288 E289 K293 L294 L295	A287-A291 WeakPolarHBondContact O-CB 3.45Å; A287-A291 PolarHBondContact O-N 3.49Å; E288-A291 PolarHBondContact O-N 3.01Å; E289-A291 PolarHBondContact O-N 3.48Å; A291-K293 VanDerWaalsContact C-N 3.31Å; A291-K293 PolarHBondContact O-N 3.23Å; A291-L294 PolarHBondContact O-N 2.7Å; A291-L295 WeakPolarHBondContact O-CG 3.14Å; A291-L295 PolarHBondContact O-N 3.21Å
292	K	79.1	Confident	74.1	Confident	114 Å²	114	109.7 Å²	109.7	50%	0.496	53%	0.534	S	S	.	.	H	α-helix	trans	-59.1	-41.3	174.5	-70.9	160	-172.4	161.5	0	111.1	E288 E289 L295 L296	E288-K292 WeakPolarHBondContact O-CB 3.46Å; E288-K292 WeakPolarHBondContact O-CD 3.12Å; E288-K292 VanDerWaalsContact O-CG 3.27Å; E288-K292 WeakPolarHBondContact O-CG 3.43Å; E288-K292 PolarHBondContact O-N 2.96Å; E288-K292 IonicContact OE2-NZ 3.57Å; E288-K292 PolarHBondContact OE2-NZ 3.2Å; E289-K292 PolarHBondContact O-N 2.9Å; K292-L295 PolarHBondContact O-N 2.97Å; K292-L296 WeakPolarHBondContact O-CG 3.37Å; K292-L296 PolarHBondContact O-N 2.8Å
293	K	79	Confident	75.2	Confident	126 Å²	126	104.1 Å²	104.1	55%	0.548	53%	0.525	S	S	.	.	H	α-helix	trans	-65.5	-39.3	175.4	-169.2	171.6	-173.8	169.7	0	113	E289 K290 A291 Q297	E289-K293 VanDerWaalsContact O-CB 3.24Å; E289-K293 WeakPolarHBondContact O-CB 3.35Å; E289-K293 PolarHBondContact O-N 3.27Å; K290-K293 PolarHBondContact O-N 3.16Å; A291-K293 VanDerWaalsContact C-N 3.31Å; A291-K293 PolarHBondContact O-N 3.23Å; K293-Q297 WeakPolarHBondContact O-CB 3.16Å; K293-Q297 VanDerWaalsContact O-CG 3.31Å; K293-Q297 WeakPolarHBondContact O-CG 3.25Å; K293-Q297 PolarHBondContact O-N 2.85Å
294	L	78.2	Confident	76.4	Confident	109 Å²	109	104.3 Å²	104.3	57%	0.571	52%	0.519	S	S	*	.	H	α-helix	trans	-68.3	-38.2	174.7	-74.4	166.8	0	0	0	112.3	K290 A291 Q297 R298	K290-L294 WeakPolarHBondContact O-CB 3.45Å; K290-L294 VanDerWaalsContact O-CG 3.29Å; K290-L294 WeakPolarHBondContact O-CG 3.38Å; K290-L294 PolarHBondContact O-N 2.77Å; A291-L294 PolarHBondContact O-N 2.7Å; L294-Q297 PolarHBondContact O-N 2.99Å; L294-R298 WeakPolarHBondContact O-CB 3.42Å; L294-R298 PolarHBondContact O-N 2.99Å
295	L	76.9	Confident	77.6	Confident	97 Å²	97	102 Å²	102	51%	0.508	51%	0.513	S	S	.	.	H	α-helix	trans	-63.1	-49.9	173.3	-71	171.6	0	0	0	111.1	A291 K292 Q297 R298 E299	A291-L295 WeakPolarHBondContact O-CG 3.14Å; A291-L295 PolarHBondContact O-N 3.21Å; K292-L295 PolarHBondContact O-N 2.97Å; L295-Q297 PolarHBondContact O-N 3.43Å; L295-R298 CarbonylContact O-C 3.6Å; L295-R298 WeakPolarHBondContact O-CA 3.28Å; L295-R298 WeakPolarHBondContact O-CB 3.49Å; L295-R298 PolarHBondContact O-N 2.91Å; L295-E299 WeakPolarHBondContact O-CG 3.46Å; L295-E299 PolarHBondContact O-N 2.97Å
296	L	77.4	Confident	78.8	Confident	93 Å²	93	102 Å²	102	49%	0.487	51%	0.513	S	S	.	.	H	α-helix	trans	-60.1	-31.4	175.3	-71.4	167.7	0	0	0	113.1	K292 K300	K292-L296 WeakPolarHBondContact O-CG 3.37Å; K292-L296 PolarHBondContact O-N 2.8Å; L296-K300 WeakPolarHBondContact O-CB 3.31Å; L296-K300 WeakPolarHBondContact O-CD 3.5Å; L296-K300 VanDerWaalsContact O-CG 3.23Å; L296-K300 WeakPolarHBondContact O-CG 3.35Å; L296-K300 PolarHBondContact O-N 3.49Å
297	Q	75.5	Confident	79.9	Confident	99 Å²	99	101.3 Å²	101.3	46%	0.463	51%	0.505	S	S	.	.	H	α-helix	trans	-70	-44.8	171	-78.1	174.9	-18.1	0	0	111.6	K293 L294 L295 K300 I301	K293-Q297 WeakPolarHBondContact O-CB 3.16Å; K293-Q297 VanDerWaalsContact O-CG 3.31Å; K293-Q297 WeakPolarHBondContact O-CG 3.25Å; K293-Q297 PolarHBondContact O-N 2.85Å; L294-Q297 PolarHBondContact O-N 2.99Å; L295-Q297 PolarHBondContact O-N 3.43Å; Q297-K300 PolarHBondContact O-N 2.92Å; Q297-I301 WeakPolarHBondContact O-CD1 3.49Å; Q297-I301 VanDerWaalsContact O-CG1 3.28Å; Q297-I301 WeakPolarHBondContact O-CG1 3.36Å; Q297-I301 PolarHBondContact O-N 3.27Å
298	R	70.3	Confident	80.7	Confident	171 Å²	171	99.9 Å²	99.9	65%	0.645	49%	0.49	S	S	*	.	H	α-helix	trans	-62.5	-42	177.9	-171.1	179.9	-177.1	-179.9	1.5	111.9	L294 L295 I301 I302	L294-R298 WeakPolarHBondContact O-CB 3.42Å; L294-R298 PolarHBondContact O-N 2.99Å; L295-R298 CarbonylContact O-C 3.6Å; L295-R298 WeakPolarHBondContact O-CA 3.28Å; L295-R298 WeakPolarHBondContact O-CB 3.49Å; L295-R298 PolarHBondContact O-N 2.91Å; R298-I301 PolarHBondContact O-N 3.23Å; R298-I302 HydrophobicContact CG-CD1 3.94Å; R298-I302 VanDerWaalsContact O-CG1 3.29Å; R298-I302 WeakPolarHBondContact O-CG1 3.46Å; R298-I302 PolarHBondContact O-N 3Å
299	E	74.7	Confident	81.5	Confident	113 Å²	113	98.7 Å²	98.7	53%	0.528	49%	0.487	S	S	.	.	H	α-helix	trans	-61.1	-46.7	174.8	-72.7	169.6	174.5	0	0	111.6	L295 I301 I302 A303	L295-E299 WeakPolarHBondContact O-CG 3.46Å; L295-E299 PolarHBondContact O-N 2.97Å; E299-I301 VanDerWaalsContact C-N 3.29Å; E299-I301 PolarHBondContact O-N 3.07Å; E299-I302 PolarHBondContact O-N 2.94Å; E299-A303 WeakPolarHBondContact O-CB 3.44Å; E299-A303 PolarHBondContact O-N 2.94Å
300	K	78.1	Confident	82.3	Confident	152 Å²	152	98.2 Å²	98.2	66%	0.661	48%	0.48	S	S	*	.	H	α-helix	trans	-61.9	-35.7	175.3	-73.4	172.2	-176.6	-177.5	0	112.7	L296 Q297 R304	L296-K300 WeakPolarHBondContact O-CB 3.31Å; L296-K300 WeakPolarHBondContact O-CD 3.5Å; L296-K300 VanDerWaalsContact O-CG 3.23Å; L296-K300 WeakPolarHBondContact O-CG 3.35Å; L296-K300 PolarHBondContact O-N 3.49Å; Q297-K300 PolarHBondContact O-N 2.92Å; K300-R304 WeakPolarHBondContact O-CB 3.42Å; K300-R304 PolarHBondContact O-N 3.43Å
301	I	75.6	Confident	83.1	Confident	108 Å²	108	91.6 Å²	91.6	55%	0.554	45%	0.451	S	S	*	.	H	α-helix	trans	-68.4	-46.4	173.9	-68.9	162.9	0	0	0	110.8	Q297 R298 E299 R304 V305	Q297-I301 WeakPolarHBondContact O-CD1 3.49Å; Q297-I301 VanDerWaalsContact O-CG1 3.28Å; Q297-I301 WeakPolarHBondContact O-CG1 3.36Å; Q297-I301 PolarHBondContact O-N 3.27Å; R298-I301 PolarHBondContact O-N 3.23Å; E299-I301 VanDerWaalsContact C-N 3.29Å; E299-I301 PolarHBondContact O-N 3.07Å; I301-R304 PolarHBondContact O-N 2.85Å; I301-V305 HydrophobicContact CG2-CG2 4.34Å; I301-V305 WeakPolarHBondContact O-CB 3.48Å; I301-V305 VanDerWaalsContact O-CG2 3.31Å; I301-V305 WeakPolarHBondContact O-CG2 3.37Å; I301-V305 PolarHBondContact O-N 3Å
302	I	73.4	Confident	83.8	Confident	99 Å²	99	92.9 Å²	92.9	51%	0.508	45%	0.445	S	S	.	.	H	α-helix	trans	-62.1	-45.3	178.4	-71	166.3	0	0	0	110.8	R298 E299 V305 S306	R298-I302 HydrophobicContact CG-CD1 3.94Å; R298-I302 VanDerWaalsContact O-CG1 3.29Å; R298-I302 WeakPolarHBondContact O-CG1 3.46Å; R298-I302 PolarHBondContact O-N 3Å; E299-I302 PolarHBondContact O-N 2.94Å; I302-V305 PolarHBondContact O-N 2.65Å; I302-S306 WeakPolarHBondContact O-CB 3.46Å; I302-S306 PolarHBondContact O-N 3.12Å
303	A	81.6	Confident	84.7	Confident	54 Å²	54	89.9 Å²	89.9	45%	0.446	44%	0.442	S	S	.	.	H	α-helix	trans	-57.1	-52.6	174.8	0	0	0	0	0	110.8	E299 V305 S306 V307	E299-A303 WeakPolarHBondContact O-CB 3.44Å; E299-A303 PolarHBondContact O-N 2.94Å; A303-V305 PolarHBondContact O-N 2.64Å; A303-S306 WeakPolarHBondContact O-CB 3.28Å; A303-S306 PolarHBondContact O-N 2.98Å; A303-S306 VanDerWaalsContact O-N 3.12Å; A303-V307 WeakPolarHBondContact O-CG2 3.44Å; A303-V307 PolarHBondContact O-N 3.37Å
304	R	84.8	Confident	85.6	Confident	151 Å²	151	85 Å²	85	57%	0.57	42%	0.422	S	S	*	.	H	α-helix	trans	-59.1	-44.9	178.5	-175.1	177.6	-179.5	171.1	5.2	112.9	K300 I301 S306 V307 D308	K300-R304 WeakPolarHBondContact O-CB 3.42Å; K300-R304 PolarHBondContact O-N 3.43Å; I301-R304 PolarHBondContact O-N 2.85Å; R304-S306 VanDerWaalsContact C-N 3.29Å; R304-S306 PolarHBondContact O-N 3.23Å; R304-V307 PolarHBondContact O-N 2.81Å; R304-D308 WeakPolarHBondContact O-CB 3.5Å; R304-D308 PolarHBondContact O-N 2.91Å
305	V	88.3	Confident	86.5	Confident	70 Å²	70	79.9 Å²	79.9	42%	0.424	40%	0.395	S	S	.	.	H	α-helix	trans	-64	-35.6	177.3	170.3	0	0	0	0	111.2	I301 I302 A303 N309	I301-V305 HydrophobicContact CG2-CG2 4.34Å; I301-V305 WeakPolarHBondContact O-CB 3.48Å; I301-V305 VanDerWaalsContact O-CG2 3.31Å; I301-V305 WeakPolarHBondContact O-CG2 3.37Å; I301-V305 PolarHBondContact O-N 3Å; I302-V305 PolarHBondContact O-N 2.65Å; A303-V305 PolarHBondContact O-N 2.64Å; V305-N309 VanDerWaalsContact O-CB 3.31Å; V305-N309 WeakPolarHBondContact O-CB 3.21Å; V305-N309 PolarHBondContact O-N 3.31Å; V305-N309 PolarHBondContact O-ND2 3.41Å; V305-N309 PolarHBondContact O-OD1 3.45Å
306	S	92	Very high	87.4	Confident	75 Å²	75	79.7 Å²	79.7	52%	0.524	39%	0.391	S	S	.	.	H	α-helix	trans	-64.3	-44.8	173.8	-167.6	0	0	0	0	112.1	I302 A303 R304 N309 R310	I302-S306 WeakPolarHBondContact O-CB 3.46Å; I302-S306 PolarHBondContact O-N 3.12Å; A303-S306 WeakPolarHBondContact O-CB 3.28Å; A303-S306 PolarHBondContact O-N 2.98Å; A303-S306 VanDerWaalsContact O-N 3.12Å; R304-S306 VanDerWaalsContact C-N 3.29Å; R304-S306 PolarHBondContact O-N 3.23Å; S306-N309 WeakPolarHBondContact O-CB 3.32Å; S306-N309 PolarHBondContact O-N 2.83Å; S306-R310 PolarHBondContact O-N 2.88Å
307	V	93.9	Very high	88.3	Confident	20 Å²	20	76.4 Å²	76.4	12%	0.121	38%	0.378	C	S	.	.	H	α-helix	trans	-67.6	-42	176.8	-176.3	0	0	0	0	111.3	A303 R304 N309 R310 T311 F341 T344	A303-V307 WeakPolarHBondContact O-CG2 3.44Å; A303-V307 PolarHBondContact O-N 3.37Å; R304-V307 PolarHBondContact O-N 2.81Å; V307-N309 VanDerWaalsContact C-N 3.3Å; V307-N309 PolarHBondContact O-N 3.5Å; V307-R310 PolarHBondContact O-N 3.48Å; V307-T311 PolarHBondContact O-N 3.24Å; V307-T311 PolarHBondContact O-OG1 2.69Å; V307-F341 HydrophobicContact CB-CD1 4.49Å; V307-F341 HydrophobicContact CB-CG 4.47Å; V307-F341 HydrophobicContact CG1-CB 3.5Å; V307-F341 HydrophobicContact CG1-CD1 3.64Å; V307-F341 HydrophobicContact CG1-CD2 3.5Å; V307-F341 HydrophobicContact CG1-CE1 4.23Å; V307-F341 HydrophobicContact CG1-CE2 4.08Å; V307-F341 HydrophobicContact CG1-CG 3.25Å; V307-F341 HydrophobicContact CG1-CZ 4.43Å; V307-F341 HydrophobicContact CG2-CD1 4.03Å; V307-F341 HydrophobicContact CG2-CE1 3.86Å; V307-F341 HydrophobicContact CG2-CE2 4.33Å; V307-F341 HydrophobicContact CG2-CG 4.36Å; V307-F341 HydrophobicContact CG2-CZ 4.03Å; V307-T344 HydrophobicContact CB-CG2 4.33Å; V307-T344 HydrophobicContact CG1-CG2 3.55Å
308	D	95.2	Very high	89.2	Confident	25 Å²	25	71.7 Å²	71.7	13%	0.134	36%	0.356	C	S	.	.	H	α-helix	trans	-57.5	-43.7	171.6	-76.4	-13.1	0	0	0	110.7	R304 T311 R312 T344 V347	R304-D308 WeakPolarHBondContact O-CB 3.5Å; R304-D308 PolarHBondContact O-N 2.91Å; D308-T311 VanDerWaalsContact O-CB 3.3Å; D308-T311 WeakPolarHBondContact O-CB 3.32Å; D308-T311 PolarHBondContact O-N 2.78Å; D308-R312 WeakPolarHBondContact O-CG 3.38Å; D308-R312 PolarHBondContact O-N 3.49Å; D308-R312 VanDerWaalsContact O-N 3.08Å; D308-T344 WeakPolarHBondContact OD1-CG2 3.35Å; D308-V347 HydrophobicContact CB-CG2 4.27Å; D308-V347 WeakPolarHBondContact OD1-CG2 3.29Å
309	N	96.1	Very high	90.3	Very high	82 Å²	82	67.6 Å²	67.6	44%	0.439	34%	0.343	S	S	.	.	H	α-helix	trans	-63.2	-44.7	175.9	-71	-13.7	0	0	0	112.4	V305 S306 V307 T311 R312 A313	V305-N309 VanDerWaalsContact O-CB 3.31Å; V305-N309 WeakPolarHBondContact O-CB 3.21Å; V305-N309 PolarHBondContact O-N 3.31Å; V305-N309 PolarHBondContact O-ND2 3.41Å; V305-N309 PolarHBondContact O-OD1 3.45Å; S306-N309 WeakPolarHBondContact O-CB 3.32Å; S306-N309 PolarHBondContact O-N 2.83Å; V307-N309 VanDerWaalsContact C-N 3.3Å; V307-N309 PolarHBondContact O-N 3.5Å; N309-T311 VanDerWaalsContact C-N 3.26Å; N309-T311 PolarHBondContact O-N 2.9Å; N309-R312 PolarHBondContact O-N 2.98Å; N309-R312 PolarHBondContact OD1-NH1 3.06Å; N309-A313 PolarHBondContact O-N 3.29Å
310	R	96.3	Very high	91.2	Very high	118 Å²	118	71.1 Å²	71.1	45%	0.445	35%	0.352	S	S	.	.	H	α-helix	trans	-57.6	-41.2	173.5	-176.3	178	177.2	-152.1	-1	110.8	S306 V307 A313 L314 H337 E340	S306-R310 PolarHBondContact O-N 2.88Å; V307-R310 PolarHBondContact O-N 3.48Å; R310-A313 PolarHBondContact O-N 3.46Å; R310-L314 HydrophobicContact CG-CD1 4.22Å; R310-L314 WeakPolarHBondContact O-CG 3.09Å; R310-L314 PolarHBondContact O-N 3.33Å; R310-H337 VanDerWaalsContact CD-ND1 3.34Å; R310-H337 WeakPolarHBondContact CD-ND1 3.32Å; R310-H337 PolarHBondContact NE-ND1 3.16Å; R310-E340 IonicContact CZ-OE2 2.85Å; R310-E340 IonicContact NH1-OE2 3.69Å; R310-E340 PolarHBondContact NH1-OE2 2.95Å
311	T	97.1	Very high	91.8	Very high	0 Å²	0	64.4 Å²	64.4	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-59.3	-48.3	176.2	-45	0	0	0	0	111.8	V307 D308 N309 L314 V315 H337 L338 T344 V347 A348	V307-T311 PolarHBondContact O-N 3.24Å; V307-T311 PolarHBondContact O-OG1 2.69Å; D308-T311 VanDerWaalsContact O-CB 3.3Å; D308-T311 WeakPolarHBondContact O-CB 3.32Å; D308-T311 PolarHBondContact O-N 2.78Å; N309-T311 VanDerWaalsContact C-N 3.26Å; N309-T311 PolarHBondContact O-N 2.9Å; T311-L314 PolarHBondContact O-N 3.39Å; T311-V315 WeakPolarHBondContact O-CG2 3.33Å; T311-V315 PolarHBondContact O-N 3.39Å; T311-V315 VanDerWaalsContact O-N 3.1Å; T311-H337 PolarHBondContact OG1-NE2 3.16Å; T311-L338 HydrophobicContact CG2-CD2 4.42Å; T311-T344 VanDerWaalsContact OG1-CB 3.22Å; T311-T344 WeakPolarHBondContact OG1-CB 3.39Å; T311-T344 PolarHBondContact OG1-OG1 3.18Å; T311-V347 HydrophobicContact CG2-CB 4.23Å; T311-V347 HydrophobicContact CG2-CG1 4.35Å; T311-A348 HydrophobicContact CG2-CB 3.88Å
312	R	97.3	Very high	92.4	Very high	75 Å²	75	64.6 Å²	64.6	28%	0.283	34%	0.336	S	S	.	.	H	α-helix	trans	-62.5	-43.8	176.2	-57.4	-170.7	-166.6	83.7	10.3	111.6	D308 N309 L314 V315 Q316 V347 E351	D308-R312 WeakPolarHBondContact O-CG 3.38Å; D308-R312 PolarHBondContact O-N 3.49Å; D308-R312 VanDerWaalsContact O-N 3.08Å; N309-R312 PolarHBondContact O-N 2.98Å; N309-R312 PolarHBondContact OD1-NH1 3.06Å; R312-L314 VanDerWaalsContact C-N 3.32Å; R312-L314 PolarHBondContact O-N 3Å; R312-V315 PolarHBondContact O-N 3.45Å; R312-Q316 WeakPolarHBondContact O-CB 3.35Å; R312-Q316 VanDerWaalsContact O-CG 3.24Å; R312-Q316 WeakPolarHBondContact O-CG 3.33Å; R312-Q316 PolarHBondContact O-N 2.89Å; R312-V347 HydrophobicContact CG-CG1 3.73Å; R312-E351 HydrophobicContact CB-CG 4.24Å; R312-E351 WeakPolarHBondContact CD-OE1 3.4Å; R312-E351 HydrophobicContact CG-CG 3.8Å; R312-E351 WeakPolarHBondContact CG-OE1 3.48Å; R312-E351 IonicContact NE-OE1 2.78Å; R312-E351 PolarHBondContact NE-OE1 3.46Å
313	A	97.4	Very high	93.3	Very high	51 Å²	51	62.4 Å²	62.4	42%	0.421	33%	0.325	S	S	.	.	H	α-helix	trans	-60.7	-39.5	179.4	0	0	0	0	0	112.4	N309 R310 Q316 A317	N309-A313 PolarHBondContact O-N 3.29Å; R310-A313 PolarHBondContact O-N 3.46Å; A313-Q316 PolarHBondContact O-N 3.38Å; A313-A317 WeakPolarHBondContact O-CB 3.35Å; A313-A317 PolarHBondContact O-N 2.86Å
314	L	97.4	Very high	93.7	Very high	24 Å²	24	62.8 Å²	62.8	13%	0.126	32%	0.322	C	S	.	.	H	α-helix	trans	-66	-47.1	174.9	-71.4	170.6	0	0	0	112.1	R310 T311 R312 Q316 A317 L318 D333 L334 H337	R310-L314 HydrophobicContact CG-CD1 4.22Å; R310-L314 WeakPolarHBondContact O-CG 3.09Å; R310-L314 PolarHBondContact O-N 3.33Å; T311-L314 PolarHBondContact O-N 3.39Å; R312-L314 VanDerWaalsContact C-N 3.32Å; R312-L314 PolarHBondContact O-N 3Å; L314-Q316 VanDerWaalsContact C-N 3.3Å; L314-Q316 PolarHBondContact O-N 2.95Å; L314-A317 WeakPolarHBondContact O-CB 3.4Å; L314-A317 PolarHBondContact O-N 2.96Å; L314-A317 VanDerWaalsContact O-N 3.11Å; L314-L318 PolarHBondContact O-N 2.7Å; L314-D333 HydrophobicContact CD2-CB 3.85Å; L314-L334 HydrophobicContact CB-CD1 4.2Å; L314-H337 HydrophobicContact CD1-CB 3.48Å; L314-H337 VanDerWaalsContact CD1-CB 3.48Å; L314-H337 VanDerWaalsContact CD1-CG 3.49Å
315	V	97.1	Very high	94	Very high	1 Å²	1	64.3 Å²	64.3	1%	0.006	33%	0.328	C	S	.	.	H	α-helix	trans	-64.6	-35.5	176.6	178.3	0	0	0	0	111.6	T311 R312 L318 H319 L334 A348 E351 V353	T311-V315 WeakPolarHBondContact O-CG2 3.33Å; T311-V315 PolarHBondContact O-N 3.39Å; T311-V315 VanDerWaalsContact O-N 3.1Å; R312-V315 PolarHBondContact O-N 3.45Å; V315-L318 PolarHBondContact O-N 2.82Å; V315-H319 PolarHBondContact O-N 3.29Å; V315-H319 PolarHBondContact O-ND1 3.26Å; V315-L334 HydrophobicContact CG2-CD1 4.09Å; V315-A348 HydrophobicContact CG2-CB 4.09Å; V315-E351 HydrophobicContact CB-CB 4.07Å; V315-E351 HydrophobicContact CG1-CB 3.7Å; V315-E351 WeakPolarHBondContact CG1-O 3.33Å; V315-E351 HydrophobicContact CG2-CB 4.46Å; V315-V353 HydrophobicContact CG1-CB 3.99Å; V315-V353 HydrophobicContact CG1-CG2 4.11Å; V315-V353 HydrophobicContact CG2-CB 4.04Å; V315-V353 HydrophobicContact CG2-CG2 3.88Å
316	Q	96.6	Very high	94.3	Very high	93 Å²	93	63.8 Å²	63.8	44%	0.435	33%	0.325	S	S	.	.	H	α-helix	trans	-73.4	-25.8	173.4	-70.3	174.1	10.1	0	0	113.2	R312 A313 L314 R320	R312-Q316 WeakPolarHBondContact O-CB 3.35Å; R312-Q316 VanDerWaalsContact O-CG 3.24Å; R312-Q316 WeakPolarHBondContact O-CG 3.33Å; R312-Q316 PolarHBondContact O-N 2.89Å; A313-Q316 PolarHBondContact O-N 3.38Å; L314-Q316 VanDerWaalsContact C-N 3.3Å; L314-Q316 PolarHBondContact O-N 2.95Å; Q316-R320 WeakPolarHBondContact O-CG 3.32Å; Q316-R320 PolarHBondContact O-N 2.72Å; Q316-R320 PolarHBondContact O-NE 2.93Å
317	A	94.9	Very high	94.5	Very high	24 Å²	24	62.9 Å²	62.9	20%	0.198	31%	0.31	C	S	.	.	H	α-helix	trans	-71.7	-42.5	170.3	0	0	0	0	0	110.8	A313 L314 H319 R320 A321 R330	A313-A317 WeakPolarHBondContact O-CB 3.35Å; A313-A317 PolarHBondContact O-N 2.86Å; L314-A317 WeakPolarHBondContact O-CB 3.4Å; L314-A317 PolarHBondContact O-N 2.96Å; L314-A317 VanDerWaalsContact O-N 3.11Å; A317-H319 PolarHBondContact O-N 2.9Å; A317-R320 CarbonylContact O-C 3.59Å; A317-R320 PolarHBondContact O-N 2.85Å; A317-R320 VanDerWaalsContact O-N 3.09Å; A317-A321 PolarHBondContact O-N 3.37Å; A317-A321 VanDerWaalsContact O-N 3.1Å; A317-R330 HydrophobicContact CB-CG 4.5Å
318	L	95.3	Very high	94.6	Very high	0 Å²	0	63.7 Å²	63.7	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-59.7	-43	174.5	-174.9	66.4	0	0	0	112	L314 V315 R320 A321 Y327 R330 V331 L334 V353 L357 L360	L314-L318 PolarHBondContact O-N 2.7Å; V315-L318 PolarHBondContact O-N 2.82Å; L318-R320 PolarHBondContact O-N 2.82Å; L318-A321 PolarHBondContact O-N 2.84Å; L318-Y327 HydrophobicContact CD1-CD1 4.09Å; L318-R330 HydrophobicContact CB-CB 4.31Å; L318-R330 HydrophobicContact CD1-CB 3.86Å; L318-V331 HydrophobicContact CD1-CG2 3.57Å; L318-V331 HydrophobicContact CD2-CG2 4.43Å; L318-L334 HydrophobicContact CD2-CD2 4.44Å; L318-V353 HydrophobicContact CD2-CG2 4.21Å; L318-L357 HydrophobicContact CD2-CD2 4.13Å; L318-L360 HydrophobicContact CD1-CD1 3.86Å; L318-L360 HydrophobicContact CD2-CD1 4.48Å; L318-L360 HydrophobicContact CG-CD1 4.3Å
319	H	93.6	Very high	94.7	Very high	84 Å²	84	64.9 Å²	64.9	39%	0.389	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-15.8	175.3	-80.5	94.3	0	0	0	114.9	V315 A317	V315-H319 PolarHBondContact O-N 3.29Å; V315-H319 PolarHBondContact O-ND1 3.26Å; A317-H319 PolarHBondContact O-N 2.9Å
320	R	93	Very high	94.7	Very high	187 Å²	187	65.5 Å²	65.5	71%	0.706	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.6	-1.5	179.6	-71.8	179.4	-67.6	167.6	0.4	113.5	Q316 A317 L318	Q316-R320 WeakPolarHBondContact O-CG 3.32Å; Q316-R320 PolarHBondContact O-N 2.72Å; Q316-R320 PolarHBondContact O-NE 2.93Å; A317-R320 CarbonylContact O-C 3.59Å; A317-R320 PolarHBondContact O-N 2.85Å; A317-R320 VanDerWaalsContact O-N 3.09Å; L318-R320 PolarHBondContact O-N 2.82Å
321	A	91.6	Very high	94.8	Very high	12 Å²	12	59.9 Å²	59.9	10%	0.099	30%	0.298	C	S	.	.			trans	-69.1	157.2	173.7	0	0	0	0	0	111.1	A317 L318 V326 Y327	A317-A321 PolarHBondContact O-N 3.37Å; A317-A321 VanDerWaalsContact O-N 3.1Å; L318-A321 PolarHBondContact O-N 2.84Å; A321-V326 HydrophobicContact CB-CB 4.4Å; A321-V326 HydrophobicContact CB-CG1 3.78Å; A321-Y327 HydrophobicContact CB-CD1 3.59Å; A321-Y327 HydrophobicContact CB-CE1 3.64Å; A321-Y327 HydrophobicContact CB-CG 4.07Å; A321-Y327 VanDerWaalsContact O-CZ 3.29Å; A321-Y327 PolarHBondContact O-OH 3Å
322	S	88.1	Confident	94.8	Very high	111 Å²	111	62.5 Å²	62.5	78%	0.776	31%	0.311	S	S	*	.			trans	-140.6	-29.5	-174.3	55.1	0	0	0	0	114.2
323	D	90.7	Very high	94.8	Very high	53 Å²	53	61.5 Å²	61.5	28%	0.283	31%	0.311	S	S	.	.	S	Bend	trans	-99.5	144.6	176.6	179.1	-70.9	0	0	0	111	R325 V326 Y327	D323-R325 VanDerWaalsContact C-N 3.3Å; D323-R325 PolarHBondContact O-N 3.41Å; D323-R325 VanDerWaalsContact OD1-CB 3.3Å; D323-R325 WeakPolarHBondContact OD1-CB 3.28Å; D323-R325 IonicContact OD1-CZ 2.68Å; D323-R325 PolarHBondContact OD1-N 2.93Å; D323-R325 IonicContact OD1-NE 3.85Å; D323-R325 PolarHBondContact OD1-NE 3.21Å; D323-R325 IonicContact OD1-NH2 3.64Å; D323-R325 IonicContact OD2-CZ 3.77Å; D323-R325 IonicContact OD2-NE 3Å; D323-R325 IonicContact OD2-NH2 3.66Å; D323-R325 PolarHBondContact OD2-NH2 3.35Å; D323-V326 HydrophobicContact CB-CB 4.35Å; D323-V326 HydrophobicContact CB-CG2 3.98Å; D323-V326 WeakPolarHBondContact O-CA 3.2Å; D323-V326 WeakPolarHBondContact O-CB 3.35Å; D323-V326 PolarHBondContact O-N 2.82Å; D323-Y327 VanDerWaalsContact O-CD2 3.25Å; D323-Y327 WeakPolarHBondContact O-CD2 3.33Å; D323-Y327 PolarHBondContact O-N 2.88Å
324	V	90.8	Very high	94.8	Very high	63 Å²	63	59.1 Å²	59.1	38%	0.382	29%	0.291	S	S	.	.	H	α-helix	trans	-55.3	-40.6	-178.3	178.2	0	0	0	0	112.7	V326 Y327 I328 D365 L368	V324-V326 VanDerWaalsContact C-N 3.35Å; V324-Y327 WeakPolarHBondContact O-CB 3.35Å; V324-Y327 PolarHBondContact O-N 3.1Å; V324-I328 HydrophobicContact CG1-CD1 4.15Å; V324-I328 WeakPolarHBondContact O-CG1 3.31Å; V324-I328 PolarHBondContact O-N 3.44Å; V324-D365 HydrophobicContact CG1-CB 3.75Å; V324-L368 HydrophobicContact CG1-CB 4.34Å; V324-L368 HydrophobicContact CG1-CD2 4.3Å
325	R	91.8	Very high	94.8	Very high	183 Å²	183	58 Å²	58	69%	0.691	29%	0.285	S	S	*	.	H	α-helix	trans	-69.1	-35.6	178.7	-62.3	162.4	-71.1	-161.9	-1.9	111.5	D323 I328 S329	D323-R325 VanDerWaalsContact C-N 3.3Å; D323-R325 PolarHBondContact O-N 3.41Å; D323-R325 VanDerWaalsContact OD1-CB 3.3Å; D323-R325 WeakPolarHBondContact OD1-CB 3.28Å; D323-R325 IonicContact OD1-CZ 2.68Å; D323-R325 PolarHBondContact OD1-N 2.93Å; D323-R325 IonicContact OD1-NE 3.85Å; D323-R325 PolarHBondContact OD1-NE 3.21Å; D323-R325 IonicContact OD1-NH2 3.64Å; D323-R325 IonicContact OD2-CZ 3.77Å; D323-R325 IonicContact OD2-NE 3Å; D323-R325 IonicContact OD2-NH2 3.66Å; D323-R325 PolarHBondContact OD2-NH2 3.35Å; R325-I328 PolarHBondContact O-N 3Å; R325-S329 PolarHBondContact O-N 3.38Å
326	V	94.5	Very high	94.8	Very high	59 Å²	59	64.6 Å²	64.6	36%	0.358	31%	0.311	S	S	.	.	H	α-helix	trans	-68.6	-40.7	174	-177.2	0	0	0	0	109.9	A321 D323 V324 S329 R330	A321-V326 HydrophobicContact CB-CB 4.4Å; A321-V326 HydrophobicContact CB-CG1 3.78Å; D323-V326 HydrophobicContact CB-CB 4.35Å; D323-V326 HydrophobicContact CB-CG2 3.98Å; D323-V326 WeakPolarHBondContact O-CA 3.2Å; D323-V326 WeakPolarHBondContact O-CB 3.35Å; D323-V326 PolarHBondContact O-N 2.82Å; V324-V326 VanDerWaalsContact C-N 3.35Å; V326-S329 PolarHBondContact O-N 2.86Å; V326-R330 HydrophobicContact CG1-CG 4.27Å; V326-R330 WeakPolarHBondContact O-CG 3.42Å; V326-R330 PolarHBondContact O-N 3.48Å
327	Y	95.8	Very high	94.8	Very high	56 Å²	56	60.2 Å²	60.2	22%	0.22	29%	0.291	C	S	.	.	H	α-helix	trans	-59.8	-47	172.1	-76.4	-65.8	0	0	0	112	L318 A321 D323 V324 S329 R330 V331 L360	L318-Y327 HydrophobicContact CD1-CD1 4.09Å; A321-Y327 HydrophobicContact CB-CD1 3.59Å; A321-Y327 HydrophobicContact CB-CE1 3.64Å; A321-Y327 HydrophobicContact CB-CG 4.07Å; A321-Y327 VanDerWaalsContact O-CZ 3.29Å; A321-Y327 PolarHBondContact O-OH 3Å; D323-Y327 VanDerWaalsContact O-CD2 3.25Å; D323-Y327 WeakPolarHBondContact O-CD2 3.33Å; D323-Y327 PolarHBondContact O-N 2.88Å; V324-Y327 WeakPolarHBondContact O-CB 3.35Å; V324-Y327 PolarHBondContact O-N 3.1Å; Y327-S329 PolarHBondContact O-N 2.95Å; Y327-R330 PolarHBondContact O-N 3.38Å; Y327-V331 WeakPolarHBondContact O-CB 3.47Å; Y327-V331 VanDerWaalsContact O-CG2 3.25Å; Y327-V331 WeakPolarHBondContact O-CG2 3.38Å; Y327-V331 PolarHBondContact O-N 3.29Å; Y327-L360 HydrophobicContact CD1-CD1 3.75Å; Y327-L360 HydrophobicContact CD1-CD2 3.54Å; Y327-L360 HydrophobicContact CD1-CG 4.31Å; Y327-L360 HydrophobicContact CD2-CD2 4.23Å; Y327-L360 HydrophobicContact CE1-CD1 4.18Å; Y327-L360 HydrophobicContact CE1-CD2 3.51Å; Y327-L360 HydrophobicContact CE1-CG 4.46Å; Y327-L360 HydrophobicContact CE2-CD2 4.21Å; Y327-L360 HydrophobicContact CG-CD1 4.48Å; Y327-L360 HydrophobicContact CG-CD2 3.91Å
328	I	96.1	Very high	94.9	Very high	37 Å²	37	59.1 Å²	59.1	19%	0.19	28%	0.281	C	S	.	.	H	α-helix	trans	-54.9	-55.2	175.7	-68.5	163.2	0	0	0	110	V324 R325 R330 V331 E332 L368	V324-I328 HydrophobicContact CG1-CD1 4.15Å; V324-I328 WeakPolarHBondContact O-CG1 3.31Å; V324-I328 PolarHBondContact O-N 3.44Å; R325-I328 PolarHBondContact O-N 3Å; I328-R330 VanDerWaalsContact C-N 3.33Å; I328-R330 PolarHBondContact O-N 3.15Å; I328-V331 PolarHBondContact O-N 2.58Å; I328-V331 VanDerWaalsContact O-N 3.14Å; I328-E332 HydrophobicContact CG2-CG 4.49Å; I328-E332 WeakPolarHBondContact O-CG 3.44Å; I328-E332 PolarHBondContact O-N 3.11Å; I328-L368 HydrophobicContact CD1-CB 4.31Å; I328-L368 HydrophobicContact CG1-CB 3.82Å; I328-L368 HydrophobicContact CG1-CD1 4.1Å
329	S	96.7	Very high	94.8	Very high	50 Å²	50	60.7 Å²	60.7	35%	0.35	29%	0.29	S	S	.	.	H	α-helix	trans	-56.6	-41	178.4	163.8	0	0	0	0	113.2	R325 V326 Y327 E332 D333	R325-S329 PolarHBondContact O-N 3.38Å; V326-S329 PolarHBondContact O-N 2.86Å; Y327-S329 PolarHBondContact O-N 2.95Å; S329-E332 PolarHBondContact O-N 3.13Å; S329-D333 WeakPolarHBondContact O-CB 3.49Å; S329-D333 PolarHBondContact O-N 3.49Å
330	R	97.1	Very high	94.8	Very high	94 Å²	94	62.2 Å²	62.2	36%	0.355	30%	0.297	S	S	.	.	H	α-helix	trans	-76.1	-25.9	179	-63	-41.8	177.1	-163.5	-6.7	114	A317 L318 V326 Y327 I328 D333 L334	A317-R330 HydrophobicContact CB-CG 4.5Å; L318-R330 HydrophobicContact CB-CB 4.31Å; L318-R330 HydrophobicContact CD1-CB 3.86Å; V326-R330 HydrophobicContact CG1-CG 4.27Å; V326-R330 WeakPolarHBondContact O-CG 3.42Å; V326-R330 PolarHBondContact O-N 3.48Å; Y327-R330 PolarHBondContact O-N 3.38Å; I328-R330 VanDerWaalsContact C-N 3.33Å; I328-R330 PolarHBondContact O-N 3.15Å; R330-D333 WeakPolarHBondContact CD-OD2 3.31Å; R330-D333 IonicContact CZ-OD2 3.37Å; R330-D333 IonicContact NE-OD2 3.16Å; R330-D333 IonicContact NH1-OD2 2.77Å; R330-D333 PolarHBondContact NH1-OD2 3.3Å; R330-L334 WeakPolarHBondContact O-CB 3.44Å; R330-L334 PolarHBondContact O-N 3.3Å
331	V	97.6	Very high	94.9	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-72.2	-40.5	170.3	174.4	0	0	0	0	109.9	L318 Y327 I328 L334 S335 L357 L360 L368 A371 V372 A375	L318-V331 HydrophobicContact CD1-CG2 3.57Å; L318-V331 HydrophobicContact CD2-CG2 4.43Å; Y327-V331 WeakPolarHBondContact O-CB 3.47Å; Y327-V331 VanDerWaalsContact O-CG2 3.25Å; Y327-V331 WeakPolarHBondContact O-CG2 3.38Å; Y327-V331 PolarHBondContact O-N 3.29Å; I328-V331 PolarHBondContact O-N 2.58Å; I328-V331 VanDerWaalsContact O-N 3.14Å; V331-L334 PolarHBondContact O-N 3.06Å; V331-S335 PolarHBondContact O-N 2.88Å; V331-S335 PolarHBondContact O-OG 3.29Å; V331-L357 HydrophobicContact CG1-CD2 4.29Å; V331-L357 HydrophobicContact CG2-CD2 4.01Å; V331-L360 HydrophobicContact CG2-CD1 4.27Å; V331-L368 HydrophobicContact CG2-CD1 4.32Å; V331-A371 HydrophobicContact CB-CB 4.39Å; V331-A371 VanDerWaalsContact CG1-C 3.47Å; V331-A371 HydrophobicContact CG1-CB 3.83Å; V331-A371 VanDerWaalsContact CG1-O 3.3Å; V331-A371 WeakPolarHBondContact CG1-O 3.47Å; V331-V372 HydrophobicContact CG1-CG2 4.29Å; V331-V372 HydrophobicContact CG2-CG2 4.01Å; V331-A375 HydrophobicContact CG1-CB 3.68Å
332	E	97.2	Very high	94.9	Very high	56 Å²	56	57.6 Å²	57.6	26%	0.262	29%	0.286	S	S	.	.	H	α-helix	trans	-71.9	-43.7	178.1	-67.9	-178	147.1	0	0	112.4	I328 S329 L334 S335 Y336 A371 R503	I328-E332 HydrophobicContact CG2-CG 4.49Å; I328-E332 WeakPolarHBondContact O-CG 3.44Å; I328-E332 PolarHBondContact O-N 3.11Å; S329-E332 PolarHBondContact O-N 3.13Å; E332-L334 PolarHBondContact O-N 2.85Å; E332-S335 PolarHBondContact O-N 3.17Å; E332-S335 VanDerWaalsContact O-N 3.08Å; E332-Y336 HydrophobicContact CB-CE2 4.2Å; E332-Y336 WeakPolarHBondContact O-CD2 3.21Å; E332-Y336 PolarHBondContact O-N 3Å; E332-A371 HydrophobicContact CG-CB 4.12Å; E332-R503 IonicContact OE1-CZ 2.69Å; E332-R503 IonicContact OE1-NH2 2.75Å; E332-R503 PolarHBondContact OE1-NH2 2.65Å
333	D	97.4	Very high	95	Very high	54 Å²	54	57.1 Å²	57.1	29%	0.289	27%	0.271	S	S	.	.	H	α-helix	trans	-50.2	-43.4	170.1	-73.6	-25.1	0	0	0	111.5	L314 S329 R330 H337	L314-D333 HydrophobicContact CD2-CB 3.85Å; S329-D333 WeakPolarHBondContact O-CB 3.49Å; S329-D333 PolarHBondContact O-N 3.49Å; R330-D333 WeakPolarHBondContact CD-OD2 3.31Å; R330-D333 IonicContact CZ-OD2 3.37Å; R330-D333 IonicContact NE-OD2 3.16Å; R330-D333 IonicContact NH1-OD2 2.77Å; R330-D333 PolarHBondContact NH1-OD2 3.3Å; D333-H337 WeakPolarHBondContact O-CB 3.41Å; D333-H337 PolarHBondContact O-N 3.16Å
334	L	97.8	Very high	95.1	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-70.2	-45.5	177.8	177	69.5	0	0	0	111.6	L314 V315 L318 R330 V331 E332 Y336 H337 L338 V353	L314-L334 HydrophobicContact CB-CD1 4.2Å; V315-L334 HydrophobicContact CG2-CD1 4.09Å; L318-L334 HydrophobicContact CD2-CD2 4.44Å; R330-L334 WeakPolarHBondContact O-CB 3.44Å; R330-L334 PolarHBondContact O-N 3.3Å; V331-L334 PolarHBondContact O-N 3.06Å; E332-L334 PolarHBondContact O-N 2.85Å; L334-Y336 PolarHBondContact O-N 2.94Å; L334-H337 PolarHBondContact O-N 2.92Å; L334-L338 HydrophobicContact CD1-CD1 3.95Å; L334-L338 HydrophobicContact CD1-CG 4Å; L334-L338 HydrophobicContact CD2-CD1 4.45Å; L334-L338 HydrophobicContact CG-CD1 3.9Å; L334-L338 HydrophobicContact CG-CG 4.27Å; L334-L338 WeakPolarHBondContact O-CB 3.48Å; L334-L338 VanDerWaalsContact O-CG 3.29Å; L334-L338 WeakPolarHBondContact O-CG 3.46Å; L334-L338 PolarHBondContact O-N 2.93Å; L334-V353 HydrophobicContact CD2-CG2 3.65Å
335	S	97.6	Very high	95.3	Very high	1 Å²	1	53.7 Å²	53.7	1%	0.007	25%	0.247	C	C	.	.	H	α-helix	trans	-59.4	-45.5	178.5	-71.8	0	0	0	0	112	V331 E332 L338 L339	V331-S335 PolarHBondContact O-N 2.88Å; V331-S335 PolarHBondContact O-OG 3.29Å; E332-S335 PolarHBondContact O-N 3.17Å; E332-S335 VanDerWaalsContact O-N 3.08Å; S335-L338 PolarHBondContact O-N 2.96Å; S335-L339 PolarHBondContact O-N 2.74Å
336	Y	96.8	Very high	95.4	Very high	140 Å²	140	46 Å²	46	55%	0.549	23%	0.226	S	C	.	.	H	α-helix	trans	-61.4	-46	175.5	-69.3	-57.1	0	0	0	112	E332 L334 L338 L339 E340	E332-Y336 HydrophobicContact CB-CE2 4.2Å; E332-Y336 WeakPolarHBondContact O-CD2 3.21Å; E332-Y336 PolarHBondContact O-N 3Å; L334-Y336 PolarHBondContact O-N 2.94Å; Y336-L338 VanDerWaalsContact C-N 3.33Å; Y336-L338 PolarHBondContact O-N 3.3Å; Y336-L339 PolarHBondContact O-N 2.93Å; Y336-E340 WeakPolarHBondContact O-CB 3.34Å; Y336-E340 PolarHBondContact O-N 3.16Å
337	H	97.1	Very high	95.5	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-62.6	-36.3	176.4	173.8	96.2	0	0	0	112.7	R310 T311 L314 D333 L334 E340 F341 T344	R310-H337 VanDerWaalsContact CD-ND1 3.34Å; R310-H337 WeakPolarHBondContact CD-ND1 3.32Å; R310-H337 PolarHBondContact NE-ND1 3.16Å; T311-H337 PolarHBondContact OG1-NE2 3.16Å; L314-H337 HydrophobicContact CD1-CB 3.48Å; L314-H337 VanDerWaalsContact CD1-CB 3.48Å; L314-H337 VanDerWaalsContact CD1-CG 3.49Å; D333-H337 WeakPolarHBondContact O-CB 3.41Å; D333-H337 PolarHBondContact O-N 3.16Å; L334-H337 PolarHBondContact O-N 2.92Å; H337-E340 PolarHBondContact O-N 3.39Å; H337-F341 AromaticContact CE1-CD2 3.74Å; H337-F341 AromaticContact ND1-CD2 3.82Å; H337-F341 PolarHBondContact O-N 3.45Å; H337-T344 PolarHBondContact NE2-OG1 2.82Å
338	L	96.2	Very high	95.5	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.005	20%	0.204	C	C	.	.	H	α-helix	trans	-77.9	-20	177.6	-67.8	-179.4	0	0	0	113.9	T311 L334 S335 Y336 P342 R345 A348 V379	T311-L338 HydrophobicContact CG2-CD2 4.42Å; L334-L338 HydrophobicContact CD1-CD1 3.95Å; L334-L338 HydrophobicContact CD1-CG 4Å; L334-L338 HydrophobicContact CD2-CD1 4.45Å; L334-L338 HydrophobicContact CG-CD1 3.9Å; L334-L338 HydrophobicContact CG-CG 4.27Å; L334-L338 WeakPolarHBondContact O-CB 3.48Å; L334-L338 VanDerWaalsContact O-CG 3.29Å; L334-L338 WeakPolarHBondContact O-CG 3.46Å; L334-L338 PolarHBondContact O-N 2.93Å; S335-L338 PolarHBondContact O-N 2.96Å; Y336-L338 VanDerWaalsContact C-N 3.33Å; Y336-L338 PolarHBondContact O-N 3.3Å; L338-P342 WeakPolarHBondContact O-CA 3.24Å; L338-R345 HydrophobicContact CB-CG 4.49Å; L338-R345 HydrophobicContact CD2-CG 3.93Å; L338-A348 HydrophobicContact CD2-CB 4.34Å; L338-V379 HydrophobicContact CD1-CG1 3.58Å
339	L	94.1	Very high	95.4	Very high	33 Å²	33	41 Å²	41	17%	0.173	20%	0.203	C	C	.	.	H	α-helix	trans	-76.3	-40.8	166.9	-81.1	166.5	0	0	0	111.6	S335 Y336 L378 V499 Q546	S335-L339 PolarHBondContact O-N 2.74Å; Y336-L339 PolarHBondContact O-N 2.93Å; L339-L378 HydrophobicContact CD2-CD2 3.72Å; L339-L378 HydrophobicContact CG-CD1 4.19Å; L339-L378 HydrophobicContact CG-CD2 3.82Å; L339-V499 HydrophobicContact CD2-CG1 4.2Å; L339-Q546 HydrophobicContact CD2-CB 3.8Å
340	E	93.3	Very high	95.3	Very high	116 Å²	116	46.9 Å²	46.9	54%	0.542	22%	0.222	S	C	.	.	H	α-helix	trans	-67.9	-41.4	176.9	-164.8	-176.6	-174.4	0	0	111.7	R310 Y336 H337 P342	R310-E340 IonicContact CZ-OE2 2.85Å; R310-E340 IonicContact NH1-OE2 3.69Å; R310-E340 PolarHBondContact NH1-OE2 2.95Å; Y336-E340 WeakPolarHBondContact O-CB 3.34Å; Y336-E340 PolarHBondContact O-N 3.16Å; H337-E340 PolarHBondContact O-N 3.39Å; E340-P342 WeakPolarHBondContact O-CD 3.5Å
341	F	94.2	Very high	95.2	Very high	46 Å²	46	45.1 Å²	45.1	20%	0.202	22%	0.218	C	C	.	.			trans	-128.9	67.2	-173.5	-57	-71.7	0	0	0	113.2	V307 H337 E343 T344	V307-F341 HydrophobicContact CB-CD1 4.49Å; V307-F341 HydrophobicContact CB-CG 4.47Å; V307-F341 HydrophobicContact CG1-CB 3.5Å; V307-F341 HydrophobicContact CG1-CD1 3.64Å; V307-F341 HydrophobicContact CG1-CD2 3.5Å; V307-F341 HydrophobicContact CG1-CE1 4.23Å; V307-F341 HydrophobicContact CG1-CE2 4.08Å; V307-F341 HydrophobicContact CG1-CG 3.25Å; V307-F341 HydrophobicContact CG1-CZ 4.43Å; V307-F341 HydrophobicContact CG2-CD1 4.03Å; V307-F341 HydrophobicContact CG2-CE1 3.86Å; V307-F341 HydrophobicContact CG2-CE2 4.33Å; V307-F341 HydrophobicContact CG2-CG 4.36Å; V307-F341 HydrophobicContact CG2-CZ 4.03Å; H337-F341 AromaticContact CE1-CD2 3.74Å; H337-F341 AromaticContact ND1-CD2 3.82Å; H337-F341 PolarHBondContact O-N 3.45Å; F341-E343 VanDerWaalsContact C-OE2 3.3Å; F341-E343 PolarHBondContact O-N 3.37Å; F341-E343 VanDerWaalsContact O-N 3.07Å; F341-T344 HydrophobicContact CB-CG2 4.17Å; F341-T344 PolarHBondContact O-N 3.09Å; F341-T344 PolarHBondContact O-OG1 3.31Å
342	P	91.7	Very high	95	Very high	57 Å²	57	51.6 Å²	51.6	37%	0.37	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-12.3	-171.7	27.7	-36.5	0	0	0	114.9	L338 E340 T344 R345	L338-P342 WeakPolarHBondContact O-CA 3.24Å; E340-P342 WeakPolarHBondContact O-CD 3.5Å; P342-T344 VanDerWaalsContact C-N 3.33Å; P342-R345 WeakPolarHBondContact O-CG 3.42Å; P342-R345 PolarHBondContact O-NE 3.35Å
343	E	90.1	Very high	95	Very high	100 Å²	100	49 Å²	49	47%	0.467	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-26.2	170	70.6	-75.4	179.5	0	0	113.1	F341 R345	F341-E343 VanDerWaalsContact C-OE2 3.3Å; F341-E343 PolarHBondContact O-N 3.37Å; F341-E343 VanDerWaalsContact O-N 3.07Å; E343-R345 VanDerWaalsContact C-N 3.3Å; E343-R345 PolarHBondContact O-N 3.04Å
344	T	94.3	Very high	95	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-5.3	-176.6	65.9	0	0	0	0	114.5	V307 D308 T311 H337 F341 P342 G346 V347 A348	V307-T344 HydrophobicContact CB-CG2 4.33Å; V307-T344 HydrophobicContact CG1-CG2 3.55Å; D308-T344 WeakPolarHBondContact OD1-CG2 3.35Å; T311-T344 VanDerWaalsContact OG1-CB 3.22Å; T311-T344 WeakPolarHBondContact OG1-CB 3.39Å; T311-T344 PolarHBondContact OG1-OG1 3.18Å; H337-T344 PolarHBondContact NE2-OG1 2.82Å; F341-T344 HydrophobicContact CB-CG2 4.17Å; F341-T344 PolarHBondContact O-N 3.09Å; F341-T344 PolarHBondContact O-OG1 3.31Å; P342-T344 VanDerWaalsContact C-N 3.33Å; T344-G346 PolarHBondContact O-N 3.15Å; T344-G346 VanDerWaalsContact O-N 3.11Å; T344-V347 WeakPolarHBondContact O-CA 3.44Å; T344-V347 WeakPolarHBondContact O-CB 3.35Å; T344-V347 PolarHBondContact O-N 2.81Å; T344-A348 PolarHBondContact O-N 3.18Å; T344-A348 VanDerWaalsContact O-N 3.1Å
345	R	94.4	Very high	94.9	Very high	44 Å²	44	47.2 Å²	47.2	17%	0.166	23%	0.225	C	C	.	.	H	α-helix	trans	-51.1	-36.3	171.1	-64	-177.6	-63.4	127	-1.4	112.5	L338 P342 E343 V347 A348 V349 L378 L533 P535	L338-R345 HydrophobicContact CB-CG 4.49Å; L338-R345 HydrophobicContact CD2-CG 3.93Å; P342-R345 WeakPolarHBondContact O-CG 3.42Å; P342-R345 PolarHBondContact O-NE 3.35Å; E343-R345 VanDerWaalsContact C-N 3.3Å; E343-R345 PolarHBondContact O-N 3.04Å; R345-V347 VanDerWaalsContact C-N 3.29Å; R345-V347 PolarHBondContact O-N 3.29Å; R345-A348 PolarHBondContact O-N 3.39Å; R345-V349 WeakPolarHBondContact O-CG2 3.5Å; R345-V349 PolarHBondContact O-N 3.47Å; R345-L378 WeakPolarHBondContact CD-O 3.43Å; R345-L533 PolarHBondContact NH1-O 2.82Å; R345-P535 HydrophobicContact CB-CG 4.04Å
346	G	94.3	Very high	94.8	Very high	23 Å²	23	47.5 Å²	47.5	24%	0.237	23%	0.227	C	C	.	.	H	α-helix	trans	-67.3	-23.3	175.2	0	0	0	0	0	114.6	T344 K350	T344-G346 PolarHBondContact O-N 3.15Å; T344-G346 VanDerWaalsContact O-N 3.11Å; G346-K350 WeakPolarHBondContact O-CD 3.25Å; G346-K350 VanDerWaalsContact O-CG 3.27Å; G346-K350 WeakPolarHBondContact O-CG 3.36Å
347	V	95.6	Very high	94.8	Very high	19 Å²	19	40.9 Å²	40.9	12%	0.115	20%	0.201	C	C	.	.	H	α-helix	trans	-78.3	-47.6	169.6	-179.5	0	0	0	0	109.7	D308 T311 R312 T344 R345 V349 K350 E351	D308-V347 HydrophobicContact CB-CG2 4.27Å; D308-V347 WeakPolarHBondContact OD1-CG2 3.29Å; T311-V347 HydrophobicContact CG2-CB 4.23Å; T311-V347 HydrophobicContact CG2-CG1 4.35Å; R312-V347 HydrophobicContact CG-CG1 3.73Å; T344-V347 WeakPolarHBondContact O-CA 3.44Å; T344-V347 WeakPolarHBondContact O-CB 3.35Å; T344-V347 PolarHBondContact O-N 2.81Å; R345-V347 VanDerWaalsContact C-N 3.29Å; R345-V347 PolarHBondContact O-N 3.29Å; V347-V349 VanDerWaalsContact C-N 3.28Å; V347-V349 PolarHBondContact O-N 3.39Å; V347-K350 WeakPolarHBondContact O-CA 3.48Å; V347-K350 WeakPolarHBondContact O-CB 3.49Å; V347-K350 PolarHBondContact O-N 3.28Å; V347-E351 HydrophobicContact CG1-CG 4.29Å; V347-E351 WeakPolarHBondContact O-CG 3.46Å; V347-E351 PolarHBondContact O-N 3.13Å
348	A	96.2	Very high	94.7	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-56.8	-40.4	179	0	0	0	0	0	112.7	T311 V315 L338 T344 R345 E351 V353	T311-A348 HydrophobicContact CG2-CB 3.88Å; V315-A348 HydrophobicContact CG2-CB 4.09Å; L338-A348 HydrophobicContact CD2-CB 4.34Å; T344-A348 PolarHBondContact O-N 3.18Å; T344-A348 VanDerWaalsContact O-N 3.1Å; R345-A348 PolarHBondContact O-N 3.39Å; A348-E351 CarbonylContact O-C 3.59Å; A348-E351 PolarHBondContact O-N 3.37Å; A348-V353 HydrophobicContact CB-CB 4.45Å; A348-V353 HydrophobicContact CB-CG1 3.95Å; A348-V353 VanDerWaalsContact O-CB 3.25Å; A348-V353 WeakPolarHBondContact O-CB 3.5Å; A348-V353 WeakPolarHBondContact O-CG1 3.44Å; A348-V353 PolarHBondContact O-N 3.1Å; A348-V353 VanDerWaalsContact O-N 3.17Å
349	V	94.8	Very high	94.6	Very high	28 Å²	28	46.3 Å²	46.3	17%	0.17	22%	0.221	C	C	.	.	H	α-helix	trans	-64.9	-38.8	174.2	173	0	0	0	0	112.3	R345 V347 K352 I354 V379 P535	R345-V349 WeakPolarHBondContact O-CG2 3.5Å; R345-V349 PolarHBondContact O-N 3.47Å; V347-V349 VanDerWaalsContact C-N 3.28Å; V347-V349 PolarHBondContact O-N 3.39Å; V349-K352 PolarHBondContact O-N 3.37Å; V349-K352 VanDerWaalsContact O-N 3.11Å; V349-I354 HydrophobicContact CG1-CD1 4.29Å; V349-I354 HydrophobicContact CG2-CD1 3.84Å; V349-I354 HydrophobicContact CG2-CG1 4.47Å; V349-V379 HydrophobicContact CG2-CB 4.23Å; V349-P535 HydrophobicContact CG2-CG 4.02Å
350	K	93.6	Very high	94.6	Very high	173 Å²	173	45.5 Å²	45.5	75%	0.752	22%	0.217	S	C	*	.	H	α-helix	trans	-65.9	-36.3	175	-74.3	173.6	-179	-174.8	0	112.6	G346 V347 K352	G346-K350 WeakPolarHBondContact O-CD 3.25Å; G346-K350 VanDerWaalsContact O-CG 3.27Å; G346-K350 WeakPolarHBondContact O-CG 3.36Å; V347-K350 WeakPolarHBondContact O-CA 3.48Å; V347-K350 WeakPolarHBondContact O-CB 3.49Å; V347-K350 PolarHBondContact O-N 3.28Å; K350-K352 PolarHBondContact O-N 3.22Å; K350-K352 VanDerWaalsContact O-N 3.08Å
351	E	94.8	Very high	94.7	Very high	57 Å²	57	40.2 Å²	40.2	27%	0.266	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	17.7	171.5	-56.4	-63.4	139.6	0	0	113.2	R312 V315 V347 A348 V353	R312-E351 HydrophobicContact CB-CG 4.24Å; R312-E351 WeakPolarHBondContact CD-OE1 3.4Å; R312-E351 HydrophobicContact CG-CG 3.8Å; R312-E351 WeakPolarHBondContact CG-OE1 3.48Å; R312-E351 IonicContact NE-OE1 2.78Å; R312-E351 PolarHBondContact NE-OE1 3.46Å; V315-E351 HydrophobicContact CB-CB 4.07Å; V315-E351 HydrophobicContact CG1-CB 3.7Å; V315-E351 WeakPolarHBondContact CG1-O 3.33Å; V315-E351 HydrophobicContact CG2-CB 4.46Å; V347-E351 HydrophobicContact CG1-CG 4.29Å; V347-E351 WeakPolarHBondContact O-CG 3.46Å; V347-E351 PolarHBondContact O-N 3.13Å; A348-E351 CarbonylContact O-C 3.59Å; A348-E351 PolarHBondContact O-N 3.37Å; E351-V353 VanDerWaalsContact C-N 3.3Å; E351-V353 PolarHBondContact O-N 2.88Å
352	K	94.6	Very high	94.6	Very high	136 Å²	136	42.8 Å²	42.8	59%	0.591	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.7	34	175.6	-57.1	-172.5	178.8	-173.1	0	114.8	V349 K350 I354 P355 C356	V349-K352 PolarHBondContact O-N 3.37Å; V349-K352 VanDerWaalsContact O-N 3.11Å; K350-K352 PolarHBondContact O-N 3.22Å; K350-K352 VanDerWaalsContact O-N 3.08Å; K352-I354 VanDerWaalsContact C-N 3.29Å; K352-I354 PolarHBondContact O-N 3.14Å; K352-P355 HydrophobicContact CB-CG 4.32Å; K352-P355 VanDerWaalsContact O-CD 3.31Å; K352-P355 WeakPolarHBondContact O-CD 3.46Å; K352-C356 PolarHBondContact O-N 2.79Å
353	V	96.4	Very high	94.6	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-61.6	-33.7	-180	78.5	0	0	0	0	113.6	V315 L318 L334 A348 E351 C356 L357 V379	V315-V353 HydrophobicContact CG1-CB 3.99Å; V315-V353 HydrophobicContact CG1-CG2 4.11Å; V315-V353 HydrophobicContact CG2-CB 4.04Å; V315-V353 HydrophobicContact CG2-CG2 3.88Å; L318-V353 HydrophobicContact CD2-CG2 4.21Å; L334-V353 HydrophobicContact CD2-CG2 3.65Å; A348-V353 HydrophobicContact CB-CB 4.45Å; A348-V353 HydrophobicContact CB-CG1 3.95Å; A348-V353 VanDerWaalsContact O-CB 3.25Å; A348-V353 WeakPolarHBondContact O-CB 3.5Å; A348-V353 WeakPolarHBondContact O-CG1 3.44Å; A348-V353 PolarHBondContact O-N 3.1Å; A348-V353 VanDerWaalsContact O-N 3.17Å; E351-V353 VanDerWaalsContact C-N 3.3Å; E351-V353 PolarHBondContact O-N 2.88Å; V353-C356 WeakPolarHBondContact O-CB 3.42Å; V353-C356 PolarHBondContact O-N 3.25Å; V353-C356 VanDerWaalsContact O-N 3.1Å; V353-L357 HydrophobicContact CG2-CD1 4.01Å; V353-L357 HydrophobicContact CG2-CG 4.18Å; V353-L357 WeakPolarHBondContact O-CG 3.36Å; V353-L357 PolarHBondContact O-N 2.8Å; V353-V379 HydrophobicContact CG1-CG1 3.98Å
354	I	96.4	Very high	94.7	Very high	3 Å²	3	44.7 Å²	44.7	2%	0.015	22%	0.22	C	C	.	.	H	α-helix	trans	-62.1	-53.3	-179.6	-69.4	168.7	0	0	0	111.4	V349 K352 C356 L357 L358 V379 Y381 L534 L724	V349-I354 HydrophobicContact CG1-CD1 4.29Å; V349-I354 HydrophobicContact CG2-CD1 3.84Å; V349-I354 HydrophobicContact CG2-CG1 4.47Å; K352-I354 VanDerWaalsContact C-N 3.29Å; K352-I354 PolarHBondContact O-N 3.14Å; I354-C356 PolarHBondContact O-N 3.13Å; I354-C356 VanDerWaalsContact O-N 3.16Å; I354-L357 PolarHBondContact O-N 3.38Å; I354-L358 HydrophobicContact CG2-CD1 3.63Å; I354-L358 HydrophobicContact CG2-CG 4.1Å; I354-L358 WeakPolarHBondContact O-CG 3.09Å; I354-L358 PolarHBondContact O-N 2.97Å; I354-V379 HydrophobicContact CD1-CG2 4.09Å; I354-V379 HydrophobicContact CG1-CG2 3.73Å; I354-Y381 HydrophobicContact CD1-CD2 4.27Å; I354-Y381 HydrophobicContact CG2-CD2 3.6Å; I354-Y381 HydrophobicContact CG2-CE2 4.04Å; I354-Y381 HydrophobicContact CG2-CG 4.01Å; I354-L534 HydrophobicContact CD1-CD2 4.22Å; I354-L724 HydrophobicContact CD1-CD1 3.76Å; I354-L724 HydrophobicContact CD1-CG 4.47Å
355	P	95.8	Very high	94.7	Very high	15 Å²	15	47.4 Å²	47.4	10%	0.097	24%	0.235	C	C	.	.	H	α-helix	trans	-50.5	-32	168.3	-33	34.5	0	0	0	115.9	K352 R359	K352-P355 HydrophobicContact CB-CG 4.32Å; K352-P355 VanDerWaalsContact O-CD 3.31Å; K352-P355 WeakPolarHBondContact O-CD 3.46Å; P355-R359 WeakPolarHBondContact O-CG 3.4Å; P355-R359 PolarHBondContact O-NE 3.05Å
356	C	95.3	Very high	94.8	Very high	7 Å²	7	50 Å²	50	5%	0.047	26%	0.257	C	S	.	.	H	α-helix	trans	-71.7	-56	175	-171	0	0	0	0	110.7	K352 V353 I354 L358 R359 L360	K352-C356 PolarHBondContact O-N 2.79Å; V353-C356 WeakPolarHBondContact O-CB 3.42Å; V353-C356 PolarHBondContact O-N 3.25Å; V353-C356 VanDerWaalsContact O-N 3.1Å; I354-C356 PolarHBondContact O-N 3.13Å; I354-C356 VanDerWaalsContact O-N 3.16Å; C356-L358 PolarHBondContact O-N 3.33Å; C356-R359 PolarHBondContact O-N 3.13Å; C356-R359 VanDerWaalsContact O-N 3.15Å; C356-L360 WeakPolarHBondContact O-CG 3.48Å; C356-L360 PolarHBondContact O-N 3.08Å; C356-L360 VanDerWaalsContact O-N 3.1Å
357	L	96.9	Very high	94.9	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-57.4	-45.1	-179.9	-69.8	172.4	0	0	0	112.6	L318 V331 V353 I354 R359 L360 E361 V372 A375 L376	L318-L357 HydrophobicContact CD2-CD2 4.13Å; V331-L357 HydrophobicContact CG1-CD2 4.29Å; V331-L357 HydrophobicContact CG2-CD2 4.01Å; V353-L357 HydrophobicContact CG2-CD1 4.01Å; V353-L357 HydrophobicContact CG2-CG 4.18Å; V353-L357 WeakPolarHBondContact O-CG 3.36Å; V353-L357 PolarHBondContact O-N 2.8Å; I354-L357 PolarHBondContact O-N 3.38Å; L357-R359 PolarHBondContact O-N 2.74Å; L357-L360 PolarHBondContact O-N 2.74Å; L357-E361 PolarHBondContact O-N 2.8Å; L357-V372 HydrophobicContact CB-CG1 4.12Å; L357-V372 HydrophobicContact CD2-CG1 4.29Å; L357-V372 HydrophobicContact CD2-CG2 4.14Å; L357-V372 WeakPolarHBondContact O-CG1 3.41Å; L357-A375 HydrophobicContact CD1-CB 3.8Å; L357-A375 HydrophobicContact CD2-CB 3.82Å; L357-A375 HydrophobicContact CG-CB 4.5Å; L357-L376 HydrophobicContact CB-CD1 4.48Å; L357-L376 HydrophobicContact CB-CD2 3.65Å; L357-L376 HydrophobicContact CB-CG 3.91Å; L357-L376 HydrophobicContact CD1-CD2 4.03Å; L357-L376 HydrophobicContact CD1-CG 4.19Å
358	L	96	Very high	94.9	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-63.8	-27.3	179.9	-67	174.6	0	0	0	113.7	I354 C356 Q362 L376 Y381 L716 D719 M720	I354-L358 HydrophobicContact CG2-CD1 3.63Å; I354-L358 HydrophobicContact CG2-CG 4.1Å; I354-L358 WeakPolarHBondContact O-CG 3.09Å; I354-L358 PolarHBondContact O-N 2.97Å; C356-L358 PolarHBondContact O-N 3.33Å; L358-Q362 WeakPolarHBondContact O-CG 3.38Å; L358-Q362 PolarHBondContact O-NE2 2.86Å; L358-L376 HydrophobicContact CD2-CD1 3.88Å; L358-L376 HydrophobicContact CD2-CD2 3.97Å; L358-L376 HydrophobicContact CG-CD2 4.18Å; L358-Y381 HydrophobicContact CD1-CE1 4.15Å; L358-Y381 HydrophobicContact CD1-CE2 4.14Å; L358-Y381 HydrophobicContact CD2-CD1 3.96Å; L358-Y381 HydrophobicContact CD2-CE1 3.54Å; L358-Y381 HydrophobicContact CG-CE1 4.39Å; L358-L716 HydrophobicContact CD1-CD1 4.43Å; L358-L716 HydrophobicContact CD2-CD1 4.22Å; L358-D719 HydrophobicContact CD1-CB 3.77Å; L358-M720 HydrophobicContact CB-CG 3.67Å; L358-M720 HydrophobicContact CD1-CG 4.4Å
359	R	93.9	Very high	95	Very high	116 Å²	116	54.5 Å²	54.5	44%	0.438	28%	0.277	S	S	.	.	H	α-helix	trans	-76.1	-40.2	171.3	-72.6	179.8	-69.2	144.4	-2.1	111.5	P355 C356 L357 E361 Q362 M720	P355-R359 WeakPolarHBondContact O-CG 3.4Å; P355-R359 PolarHBondContact O-NE 3.05Å; C356-R359 PolarHBondContact O-N 3.13Å; C356-R359 VanDerWaalsContact O-N 3.15Å; L357-R359 PolarHBondContact O-N 2.74Å; R359-E361 VanDerWaalsContact C-N 3.3Å; R359-E361 PolarHBondContact O-N 3.28Å; R359-Q362 WeakPolarHBondContact O-CB 3.49Å; R359-Q362 PolarHBondContact O-N 2.99Å; R359-M720 HydrophobicContact CG-CE 3.96Å
360	L	95	Very high	95.1	Very high	16 Å²	16	54.1 Å²	54.1	8%	0.084	28%	0.277	C	S	.	.	H	α-helix	trans	-65.7	-30.4	176.3	-63.3	175.1	0	0	0	112.7	L318 Y327 V331 C356 L357 Q362 A363 L368 V372	L318-L360 HydrophobicContact CD1-CD1 3.86Å; L318-L360 HydrophobicContact CD2-CD1 4.48Å; L318-L360 HydrophobicContact CG-CD1 4.3Å; Y327-L360 HydrophobicContact CD1-CD1 3.75Å; Y327-L360 HydrophobicContact CD1-CD2 3.54Å; Y327-L360 HydrophobicContact CD1-CG 4.31Å; Y327-L360 HydrophobicContact CD2-CD2 4.23Å; Y327-L360 HydrophobicContact CE1-CD1 4.18Å; Y327-L360 HydrophobicContact CE1-CD2 3.51Å; Y327-L360 HydrophobicContact CE1-CG 4.46Å; Y327-L360 HydrophobicContact CE2-CD2 4.21Å; Y327-L360 HydrophobicContact CG-CD1 4.48Å; Y327-L360 HydrophobicContact CG-CD2 3.91Å; V331-L360 HydrophobicContact CG2-CD1 4.27Å; C356-L360 WeakPolarHBondContact O-CG 3.48Å; C356-L360 PolarHBondContact O-N 3.08Å; C356-L360 VanDerWaalsContact O-N 3.1Å; L357-L360 PolarHBondContact O-N 2.74Å; L360-Q362 PolarHBondContact O-N 3.44Å; L360-A363 VanDerWaalsContact O-CB 3.23Å; L360-A363 WeakPolarHBondContact O-CB 3.25Å; L360-A363 PolarHBondContact O-N 3.44Å; L360-L368 HydrophobicContact CB-CD2 4.5Å; L360-L368 HydrophobicContact CD2-CD2 4.5Å; L360-V372 HydrophobicContact CB-CG2 3.77Å
361	E	94.2	Very high	95.3	Very high	5 Å²	5	46 Å²	46	2%	0.023	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-13	176	-144.5	-149.4	159.9	0	0	114.1	L357 R359 A363 R369 V372 R373 K383	L357-E361 PolarHBondContact O-N 2.8Å; R359-E361 VanDerWaalsContact C-N 3.3Å; R359-E361 PolarHBondContact O-N 3.28Å; E361-A363 VanDerWaalsContact C-N 3.35Å; E361-R369 HydrophobicContact CG-CB 4.49Å; E361-R369 PolarHBondContact O-NE 3.47Å; E361-R369 VanDerWaalsContact O-NE 3.15Å; E361-V372 HydrophobicContact CB-CG1 3.7Å; E361-V372 HydrophobicContact CG-CG1 3.9Å; E361-R373 HydrophobicContact CG-CG 4.46Å; E361-R373 IonicContact OE1-CZ 2.64Å; E361-R373 IonicContact OE1-NE 3.02Å; E361-R373 PolarHBondContact OE1-NE 3Å; E361-R373 VanDerWaalsContact OE1-NE 3.15Å; E361-R373 IonicContact OE1-NH2 3.38Å; E361-K383 IonicContact OE1-NZ 3.59Å; E361-K383 PolarHBondContact OE1-NZ 3.08Å; E361-K383 WeakPolarHBondContact OE2-CE 3.44Å; E361-K383 IonicContact OE2-NZ 3.72Å; E361-K383 PolarHBondContact OE2-NZ 3.33Å
362	Q	91.9	Very high	95.4	Very high	100 Å²	100	43.2 Å²	43.2	47%	0.467	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86	-4.7	172.7	-45.5	-49.9	-54.6	0	0	112.9	L358 R359 L360 M720	L358-Q362 WeakPolarHBondContact O-CG 3.38Å; L358-Q362 PolarHBondContact O-NE2 2.86Å; R359-Q362 WeakPolarHBondContact O-CB 3.49Å; R359-Q362 PolarHBondContact O-N 2.99Å; L360-Q362 PolarHBondContact O-N 3.44Å; Q362-M720 HydrophobicContact CG-CE 3.73Å
363	A	91.9	Very high	95.6	Very high	33 Å²	33	38.6 Å²	38.6	27%	0.273	21%	0.207	S	C	.	.	S	Bend	trans	-65.2	153.1	173.4	0	0	0	0	0	110.8	L360 E361 D365 L368 R369	L360-A363 VanDerWaalsContact O-CB 3.23Å; L360-A363 WeakPolarHBondContact O-CB 3.25Å; L360-A363 PolarHBondContact O-N 3.44Å; E361-A363 VanDerWaalsContact C-N 3.35Å; A363-D365 PolarHBondContact O-N 3.05Å; A363-L368 HydrophobicContact CB-CD2 3.94Å; A363-R369 WeakPolarHBondContact O-CD 3.35Å
364	N	91.9	Very high	95.6	Very high	164 Å²	164	38.8 Å²	38.8	88%	0.877	21%	0.208	S	C	*	.	S	Bend	trans	-78.5	-4	179.5	-71.8	-18.8	0	0	0	114
365	D	95.6	Very high	95.7	Very high	57 Å²	57	38.6 Å²	38.6	31%	0.305	21%	0.207	S	C	.	.			trans	-83	123	-177.6	-176.2	-90.3	0	0	0	112.5	V324 A363 G367 L368 R369	V324-D365 HydrophobicContact CG1-CB 3.75Å; A363-D365 PolarHBondContact O-N 3.05Å; D365-G367 PolarHBondContact O-N 3.41Å; D365-G367 WeakPolarHBondContact OD1-CA 3.3Å; D365-G367 PolarHBondContact OD1-N 2.74Å; D365-L368 HydrophobicContact CB-CB 4.14Å; D365-L368 PolarHBondContact OD1-N 3.41Å; D365-R369 WeakPolarHBondContact O-CD 3.33Å; D365-R369 WeakPolarHBondContact O-CG 3.45Å; D365-R369 PolarHBondContact O-N 2.86Å
366	P	95.1	Very high	95.8	Very high	98 Å²	98	38.3 Å²	38.3	64%	0.636	21%	0.205	S	C	*	.	H	α-helix	trans	-65.2	-35	-179.1	-23.5	34.9	0	0	0	114.7	A370	P366-A370 WeakPolarHBondContact O-CB 3.42Å; P366-A370 PolarHBondContact O-N 2.99Å
367	G	96	Very high	95.9	Very high	38 Å²	38	38 Å²	38	39%	0.392	20%	0.203	S	C	.	.	H	α-helix	trans	-71.8	-45.9	-176.4	0	0	0	0	0	112.1	D365 R369 A370 A371	D365-G367 PolarHBondContact O-N 3.41Å; D365-G367 WeakPolarHBondContact OD1-CA 3.3Å; D365-G367 PolarHBondContact OD1-N 2.74Å; G367-R369 VanDerWaalsContact C-N 3.34Å; G367-R369 PolarHBondContact O-N 3.34Å; G367-A370 WeakPolarHBondContact O-CB 3.47Å; G367-A370 PolarHBondContact O-N 3.02Å; G367-A371 PolarHBondContact O-N 3.15Å
368	L	96.8	Very high	96	Very high	2 Å²	2	38.1 Å²	38.1	1%	0.01	20%	0.204	C	C	.	.	H	α-helix	trans	-58.8	-45.2	172.3	179.4	57.1	0	0	0	111.1	V324 I328 V331 L360 A363 D365 A370 A371 V372	V324-L368 HydrophobicContact CG1-CB 4.34Å; V324-L368 HydrophobicContact CG1-CD2 4.3Å; I328-L368 HydrophobicContact CD1-CB 4.31Å; I328-L368 HydrophobicContact CG1-CB 3.82Å; I328-L368 HydrophobicContact CG1-CD1 4.1Å; V331-L368 HydrophobicContact CG2-CD1 4.32Å; L360-L368 HydrophobicContact CB-CD2 4.5Å; L360-L368 HydrophobicContact CD2-CD2 4.5Å; A363-L368 HydrophobicContact CB-CD2 3.94Å; D365-L368 HydrophobicContact CB-CB 4.14Å; D365-L368 PolarHBondContact OD1-N 3.41Å; L368-A370 VanDerWaalsContact C-N 3.31Å; L368-A370 PolarHBondContact O-N 3.39Å; L368-A371 PolarHBondContact O-N 3.4Å; L368-V372 HydrophobicContact CD1-CG2 3.8Å; L368-V372 HydrophobicContact CG-CG2 4.23Å; L368-V372 WeakPolarHBondContact O-CB 3.21Å; L368-V372 WeakPolarHBondContact O-CG2 3.44Å; L368-V372 PolarHBondContact O-N 2.89Å
369	R	97.1	Very high	96	Very high	96 Å²	96	38.1 Å²	38.1	36%	0.362	20%	0.204	S	C	.	.	H	α-helix	trans	-62.7	-37.2	177	-66.7	171.1	94.3	-159.7	-0.8	112.5	E361 A363 D365 G367 R373	E361-R369 HydrophobicContact CG-CB 4.49Å; E361-R369 PolarHBondContact O-NE 3.47Å; E361-R369 VanDerWaalsContact O-NE 3.15Å; A363-R369 WeakPolarHBondContact O-CD 3.35Å; D365-R369 WeakPolarHBondContact O-CD 3.33Å; D365-R369 WeakPolarHBondContact O-CG 3.45Å; D365-R369 PolarHBondContact O-N 2.86Å; G367-R369 VanDerWaalsContact C-N 3.34Å; G367-R369 PolarHBondContact O-N 3.34Å; R369-R373 VanDerWaalsContact O-CG 3.31Å; R369-R373 WeakPolarHBondContact O-CG 3.46Å; R369-R373 PolarHBondContact O-N 3.48Å; R369-R373 VanDerWaalsContact O-N 3.13Å
370	A	97.3	Very high	96.1	Very high	21 Å²	21	32.7 Å²	32.7	17%	0.174	18%	0.184	C	C	.	.	H	α-helix	trans	-63.6	-55.6	174.8	0	0	0	0	0	111.4	P366 G367 L368 V372 R373 E374 R503	P366-A370 WeakPolarHBondContact O-CB 3.42Å; P366-A370 PolarHBondContact O-N 2.99Å; G367-A370 WeakPolarHBondContact O-CB 3.47Å; G367-A370 PolarHBondContact O-N 3.02Å; L368-A370 VanDerWaalsContact C-N 3.31Å; L368-A370 PolarHBondContact O-N 3.39Å; A370-V372 VanDerWaalsContact C-N 3.27Å; A370-V372 PolarHBondContact O-N 2.83Å; A370-R373 PolarHBondContact O-N 2.98Å; A370-R373 VanDerWaalsContact O-N 3.16Å; A370-E374 PolarHBondContact O-N 3.08Å; A370-R503 HydrophobicContact CB-CB 3.96Å; A370-R503 HydrophobicContact CB-CG 4.15Å
371	A	97.8	Very high	96.1	Very high	1 Å²	1	32.7 Å²	32.7	1%	0.008	18%	0.183	C	C	.	.	H	α-helix	trans	-58.5	-38.7	178.2	0	0	0	0	0	112.4	V331 E332 G367 L368 E374 A375	V331-A371 HydrophobicContact CB-CB 4.39Å; V331-A371 VanDerWaalsContact CG1-C 3.47Å; V331-A371 HydrophobicContact CG1-CB 3.83Å; V331-A371 VanDerWaalsContact CG1-O 3.3Å; V331-A371 WeakPolarHBondContact CG1-O 3.47Å; E332-A371 HydrophobicContact CG-CB 4.12Å; G367-A371 PolarHBondContact O-N 3.15Å; L368-A371 PolarHBondContact O-N 3.4Å; A371-E374 PolarHBondContact O-N 3.08Å; A371-A375 PolarHBondContact O-N 2.95Å
372	V	98.1	Very high	96.1	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-65.2	-37.8	177.7	165.1	0	0	0	0	112.4	V331 L357 L360 E361 L368 A370 E374 A375 L376	V331-V372 HydrophobicContact CG1-CG2 4.29Å; V331-V372 HydrophobicContact CG2-CG2 4.01Å; L357-V372 HydrophobicContact CB-CG1 4.12Å; L357-V372 HydrophobicContact CD2-CG1 4.29Å; L357-V372 HydrophobicContact CD2-CG2 4.14Å; L357-V372 WeakPolarHBondContact O-CG1 3.41Å; L360-V372 HydrophobicContact CB-CG2 3.77Å; E361-V372 HydrophobicContact CB-CG1 3.7Å; E361-V372 HydrophobicContact CG-CG1 3.9Å; L368-V372 HydrophobicContact CD1-CG2 3.8Å; L368-V372 HydrophobicContact CG-CG2 4.23Å; L368-V372 WeakPolarHBondContact O-CB 3.21Å; L368-V372 WeakPolarHBondContact O-CG2 3.44Å; L368-V372 PolarHBondContact O-N 2.89Å; A370-V372 VanDerWaalsContact C-N 3.27Å; A370-V372 PolarHBondContact O-N 2.83Å; V372-E374 VanDerWaalsContact C-N 3.33Å; V372-A375 PolarHBondContact O-N 3.14Å; V372-L376 HydrophobicContact CG1-CD1 3.9Å; V372-L376 HydrophobicContact CG1-CG 4.38Å; V372-L376 WeakPolarHBondContact O-CB 3.43Å; V372-L376 VanDerWaalsContact O-CG 3.25Å; V372-L376 WeakPolarHBondContact O-CG 3.45Å; V372-L376 PolarHBondContact O-N 3.09Å
373	R	97.9	Very high	96	Very high	38 Å²	38	33.3 Å²	33.3	14%	0.143	18%	0.184	C	C	.	.	H	α-helix	trans	-64.9	-38.9	174.9	-72.1	170.1	-156.9	131.6	3.4	112.1	E361 R369 A370 L376 A377 S502 R503	E361-R373 HydrophobicContact CG-CG 4.46Å; E361-R373 IonicContact OE1-CZ 2.64Å; E361-R373 IonicContact OE1-NE 3.02Å; E361-R373 PolarHBondContact OE1-NE 3Å; E361-R373 VanDerWaalsContact OE1-NE 3.15Å; E361-R373 IonicContact OE1-NH2 3.38Å; R369-R373 VanDerWaalsContact O-CG 3.31Å; R369-R373 WeakPolarHBondContact O-CG 3.46Å; R369-R373 PolarHBondContact O-N 3.48Å; R369-R373 VanDerWaalsContact O-N 3.13Å; A370-R373 PolarHBondContact O-N 2.98Å; A370-R373 VanDerWaalsContact O-N 3.16Å; R373-L376 PolarHBondContact O-N 3.33Å; R373-A377 VanDerWaalsContact O-CB 3.32Å; R373-A377 WeakPolarHBondContact O-CB 3.3Å; R373-A377 PolarHBondContact O-N 3.02Å; R373-S502 WeakPolarHBondContact CB-O 3.37Å; R373-R503 PolarHBondContact NH1-O 3.49Å
374	E	97.8	Very high	96	Very high	4 Å²	4	34.1 Å²	34.1	2%	0.019	19%	0.187	C	C	.	.	H	α-helix	trans	-64.3	-47	174.8	-173.7	176.1	113.7	0	0	111.5	A370 A371 V372 L376 A377 L378 V499 E500 S502 R503	A370-E374 PolarHBondContact O-N 3.08Å; A371-E374 PolarHBondContact O-N 3.08Å; V372-E374 VanDerWaalsContact C-N 3.33Å; E374-L376 VanDerWaalsContact C-N 3.32Å; E374-L376 PolarHBondContact O-N 3.14Å; E374-A377 PolarHBondContact O-N 3.35Å; E374-L378 HydrophobicContact CG-CD1 4.29Å; E374-L378 WeakPolarHBondContact O-CB 3.28Å; E374-L378 WeakPolarHBondContact O-CG 3.37Å; E374-L378 PolarHBondContact O-N 3.43Å; E374-V499 HydrophobicContact CG-CG1 4.1Å; E374-V499 HydrophobicContact CG-CG2 4.35Å; E374-E500 VanDerWaalsContact OE2-CA 3.3Å; E374-E500 WeakPolarHBondContact OE2-CA 3.29Å; E374-S502 WeakPolarHBondContact CA-OG 3.37Å; E374-R503 HydrophobicContact CB-CG 4.17Å; E374-R503 VanDerWaalsContact CD-NH1 3.35Å; E374-R503 IonicContact OE1-CZ 2.64Å; E374-R503 IonicContact OE1-NH1 2.68Å; E374-R503 PolarHBondContact OE1-NH1 2.69Å; E374-R503 WeakPolarHBondContact OE2-CD 2.89Å; E374-R503 WeakPolarHBondContact OE2-CG 3.39Å; E374-R503 IonicContact OE2-CZ 3.34Å; E374-R503 IonicContact OE2-NE 4Å; E374-R503 PolarHBondContact OE2-NE 3.48Å; E374-R503 IonicContact OE2-NH1 3.05Å; E374-R503 PolarHBondContact OE2-NH1 2.84Å
375	A	98.1	Very high	96.2	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-61.2	-38.9	175.4	0	0	0	0	0	112.4	V331 L357 A371 V372 L378 V379	V331-A375 HydrophobicContact CG1-CB 3.68Å; L357-A375 HydrophobicContact CD1-CB 3.8Å; L357-A375 HydrophobicContact CD2-CB 3.82Å; L357-A375 HydrophobicContact CG-CB 4.5Å; A371-A375 PolarHBondContact O-N 2.95Å; V372-A375 PolarHBondContact O-N 3.14Å; A375-L378 PolarHBondContact O-N 3.39Å; A375-V379 WeakPolarHBondContact O-CG2 3.43Å; A375-V379 PolarHBondContact O-N 2.93Å
376	L	97.9	Very high	95.9	Very high	8 Å²	8	28.2 Å²	28.2	4%	0.042	15%	0.151	C	C	.	.	H	α-helix	trans	-63.3	-46.4	172.5	-74	167.9	0	0	0	111.6	L357 L358 V372 R373 E374 L378 V379 G380 Y381	L357-L376 HydrophobicContact CB-CD1 4.48Å; L357-L376 HydrophobicContact CB-CD2 3.65Å; L357-L376 HydrophobicContact CB-CG 3.91Å; L357-L376 HydrophobicContact CD1-CD2 4.03Å; L357-L376 HydrophobicContact CD1-CG 4.19Å; L358-L376 HydrophobicContact CD2-CD1 3.88Å; L358-L376 HydrophobicContact CD2-CD2 3.97Å; L358-L376 HydrophobicContact CG-CD2 4.18Å; V372-L376 HydrophobicContact CG1-CD1 3.9Å; V372-L376 HydrophobicContact CG1-CG 4.38Å; V372-L376 WeakPolarHBondContact O-CB 3.43Å; V372-L376 VanDerWaalsContact O-CG 3.25Å; V372-L376 WeakPolarHBondContact O-CG 3.45Å; V372-L376 PolarHBondContact O-N 3.09Å; R373-L376 PolarHBondContact O-N 3.33Å; E374-L376 VanDerWaalsContact C-N 3.32Å; E374-L376 PolarHBondContact O-N 3.14Å; L376-L378 VanDerWaalsContact C-N 3.3Å; L376-L378 PolarHBondContact O-N 2.96Å; L376-V379 WeakPolarHBondContact O-CG2 3.39Å; L376-V379 PolarHBondContact O-N 2.75Å; L376-G380 PolarHBondContact O-N 2.86Å; L376-Y381 CarbonylContact C-O 3.6Å; L376-Y381 HydrophobicContact CD2-CD1 4.03Å; L376-Y381 HydrophobicContact CD2-CG 4.22Å; L376-Y381 PolarHBondContact O-N 3.4Å
377	A	97.4	Very high	95.7	Very high	2 Å²	2	23.7 Å²	23.7	2%	0.017	12%	0.122	C	C	.	.	H	α-helix	trans	-65	-33.4	177.7	0	0	0	0	0	112.6	R373 E374 G380 H382 V499 S502 N532	R373-A377 VanDerWaalsContact O-CB 3.32Å; R373-A377 WeakPolarHBondContact O-CB 3.3Å; R373-A377 PolarHBondContact O-N 3.02Å; E374-A377 PolarHBondContact O-N 3.35Å; A377-G380 PolarHBondContact O-N 2.81Å; A377-H382 WeakPolarHBondContact CA-CE1 3.3Å; A377-H382 WeakPolarHBondContact CB-CE1 3.41Å; A377-H382 PolarHBondContact O-CE1 3Å; A377-H382 VanDerWaalsContact O-CE1 3.25Å; A377-V499 HydrophobicContact CB-CG2 4.02Å; A377-S502 WeakPolarHBondContact CB-OG 3.5Å; A377-N532 WeakPolarHBondContact O-CB 3.29Å; A377-N532 PolarHBondContact O-N 3.04Å; A377-N532 VanDerWaalsContact O-N 3.13Å
378	L	97.4	Very high	95.6	Very high	1 Å²	1	26.5 Å²	26.5	1%	0.005	12%	0.121	C	C	.	.	H	α-helix	trans	-67.3	-52	173.8	-81.4	171.9	0	0	0	111.9	L339 R345 E374 A375 L376 G380 V499 N532	L339-L378 HydrophobicContact CD2-CD2 3.72Å; L339-L378 HydrophobicContact CG-CD1 4.19Å; L339-L378 HydrophobicContact CG-CD2 3.82Å; R345-L378 WeakPolarHBondContact CD-O 3.43Å; E374-L378 HydrophobicContact CG-CD1 4.29Å; E374-L378 WeakPolarHBondContact O-CB 3.28Å; E374-L378 WeakPolarHBondContact O-CG 3.37Å; E374-L378 PolarHBondContact O-N 3.43Å; A375-L378 PolarHBondContact O-N 3.39Å; L376-L378 VanDerWaalsContact C-N 3.3Å; L376-L378 PolarHBondContact O-N 2.96Å; L378-G380 PolarHBondContact O-N 3.11Å; L378-V499 HydrophobicContact CD2-CB 4.43Å; L378-V499 HydrophobicContact CD2-CG1 4.09Å; L378-V499 HydrophobicContact CD2-CG2 4Å; L378-V499 HydrophobicContact CG-CG1 4.34Å; L378-V499 HydrophobicContact CG-CG2 3.92Å; L378-N532 VanDerWaalsContact O-CB 3.31Å; L378-N532 WeakPolarHBondContact O-CB 3.4Å; L378-N532 PolarHBondContact O-ND2 2.82Å
379	V	96.6	Very high	95.6	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-68.3	-10.2	174.1	-56.9	0	0	0	0	112.7	L338 V349 V353 I354 A375 L376 P535	L338-V379 HydrophobicContact CD1-CG1 3.58Å; V349-V379 HydrophobicContact CG2-CB 4.23Å; V353-V379 HydrophobicContact CG1-CG1 3.98Å; I354-V379 HydrophobicContact CD1-CG2 4.09Å; I354-V379 HydrophobicContact CG1-CG2 3.73Å; A375-V379 WeakPolarHBondContact O-CG2 3.43Å; A375-V379 PolarHBondContact O-N 2.93Å; L376-V379 WeakPolarHBondContact O-CG2 3.39Å; L376-V379 PolarHBondContact O-N 2.75Å; V379-P535 WeakPolarHBondContact O-CD 3.35Å
380	G	95.7	Very high	95.6	Very high	2 Å²	2	21.9 Å²	21.9	2%	0.021	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.6	14.9	173.4	0	0	0	0	0	114.8	L376 A377 L378 H382 N532 L534	L376-G380 PolarHBondContact O-N 2.86Å; A377-G380 PolarHBondContact O-N 2.81Å; L378-G380 PolarHBondContact O-N 3.11Å; G380-H382 VanDerWaalsContact CA-NE2 3.31Å; G380-H382 WeakPolarHBondContact CA-NE2 3.48Å; G380-H382 PolarHBondContact O-CD2 3.42Å; G380-H382 VanDerWaalsContact O-CD2 3.22Å; G380-H382 PolarHBondContact O-NE2 3.43Å; G380-N532 VanDerWaalsContact CA-O 3.31Å; G380-N532 WeakPolarHBondContact CA-O 3.4Å; G380-L534 WeakPolarHBondContact O-CD2 3.34Å; G380-L534 WeakPolarHBondContact O-CG 2.98Å
381	Y	95.3	Very high	95.7	Very high	16 Å²	16	21.5 Å²	21.5	6%	0.063	10%	0.097	C	C	.	.			trans	-80.6	127.9	171.6	-176.8	-83.5	0	0	0	110	I354 L358 L376 D719 L724	I354-Y381 HydrophobicContact CD1-CD2 4.27Å; I354-Y381 HydrophobicContact CG2-CD2 3.6Å; I354-Y381 HydrophobicContact CG2-CE2 4.04Å; I354-Y381 HydrophobicContact CG2-CG 4.01Å; L358-Y381 HydrophobicContact CD1-CE1 4.15Å; L358-Y381 HydrophobicContact CD1-CE2 4.14Å; L358-Y381 HydrophobicContact CD2-CD1 3.96Å; L358-Y381 HydrophobicContact CD2-CE1 3.54Å; L358-Y381 HydrophobicContact CG-CE1 4.39Å; L376-Y381 CarbonylContact C-O 3.6Å; L376-Y381 HydrophobicContact CD2-CD1 4.03Å; L376-Y381 HydrophobicContact CD2-CG 4.22Å; L376-Y381 PolarHBondContact O-N 3.4Å; Y381-D719 HydrophobicContact CE2-CB 4.33Å; Y381-D719 WeakPolarHBondContact CE2-OD2 3.3Å; Y381-D719 PolarHBondContact OH-OD2 3Å; Y381-L724 HydrophobicContact CD2-CD2 4Å; Y381-L724 HydrophobicContact CE2-CD2 3.84Å
382	H	93.6	Very high	95.7	Very high	28 Å²	28	21.5 Å²	21.5	13%	0.13	10%	0.097	C	C	.	.			trans	-127.7	142	176.3	-55.6	-68.2	0	0	0	110.6	A377 G380 K509 Y531 N532 L594	A377-H382 WeakPolarHBondContact CA-CE1 3.3Å; A377-H382 WeakPolarHBondContact CB-CE1 3.41Å; A377-H382 PolarHBondContact O-CE1 3Å; A377-H382 VanDerWaalsContact O-CE1 3.25Å; G380-H382 VanDerWaalsContact CA-NE2 3.31Å; G380-H382 WeakPolarHBondContact CA-NE2 3.48Å; G380-H382 PolarHBondContact O-CD2 3.42Å; G380-H382 VanDerWaalsContact O-CD2 3.22Å; G380-H382 PolarHBondContact O-NE2 3.43Å; H382-K509 PolarHBondContact CE1-NZ 2.9Å; H382-K509 WeakPolarHBondContact ND1-CE 3.36Å; H382-K509 PolarHBondContact ND1-NZ 3.21Å; H382-Y531 WeakPolarHBondContact CE1-CB 3.39Å; H382-N532 CovalentContact NE2-O 1.78Å; H382-N532 PolarHBondContact NE2-O 2.87Å; H382-L594 WeakPolarHBondContact CD2-CD2 3.47Å
383	K	90.9	Very high	95.8	Very high	91 Å²	91	21.5 Å²	21.5	40%	0.396	10%	0.097	S	C	.	.	P	Polyproline II helix	trans	-67.6	159.7	173.4	-70	178	178	173.5	0	110.9	E361 W595	E361-K383 IonicContact OE1-NZ 3.59Å; E361-K383 PolarHBondContact OE1-NZ 3.08Å; E361-K383 WeakPolarHBondContact OE2-CE 3.44Å; E361-K383 IonicContact OE2-NZ 3.72Å; E361-K383 PolarHBondContact OE2-NZ 3.33Å; K383-W595 PolarHBondContact O-NE1 3.1Å
384	P	92.4	Very high	95.8	Very high	49 Å²	49	19.7 Å²	19.7	32%	0.318	9%	0.091	S	C	.	.	P	Polyproline II helix	trans	-51.2	143.4	164.6	-24.8	34.4	0	0	0	111.9	E712	P384-E712 HydrophobicContact CB-CG 4.09Å; P384-E712 WeakPolarHBondContact CB-OE1 3.37Å; P384-E712 HydrophobicContact CG-CB 4.32Å; P384-E712 HydrophobicContact CG-CG 3.93Å
385	V	94.8	Very high	95.9	Very high	6 Å²	6	19.5 Å²	19.5	4%	0.036	9%	0.09	C	C	.	.	P	Polyproline II helix	trans	-49.9	159.3	173.6	-65.1	0	0	0	0	113	G389 I390 D425 W595 T598 K704	V385-G389 WeakPolarHBondContact CG2-O 3.38Å; V385-I390 HydrophobicContact CG1-CB 4.36Å; V385-I390 HydrophobicContact CG1-CG1 4.11Å; V385-I390 HydrophobicContact CG1-CG2 4.27Å; V385-D425 HydrophobicContact CB-CB 4.07Å; V385-D425 HydrophobicContact CG1-CB 3.89Å; V385-W595 HydrophobicContact CG1-CD2 3.52Å; V385-W595 HydrophobicContact CG1-CE3 3.82Å; V385-W595 HydrophobicContact CG1-CG 3.99Å; V385-W595 HydrophobicContact CG1-CH2 4.08Å; V385-W595 HydrophobicContact CG1-CZ2 3.81Å; V385-W595 HydrophobicContact CG1-CZ3 4.09Å; V385-T598 HydrophobicContact CG2-CG2 3.84Å; V385-K704 WeakPolarHBondContact O-CE 3.45Å; V385-K704 PolarHBondContact O-NZ 3.27Å
386	K	90.8	Very high	95.8	Very high	92 Å²	92	19.6 Å²	19.6	40%	0.4	9%	0.09	S	C	.	.	S	Bend	trans	-75	-31.8	179.9	-65	175.9	171.5	-178.3	0	112.7	D425 D506 K704	K386-D425 WeakPolarHBondContact CB-OD1 3.22Å; K386-D425 PolarHBondContact N-OD1 3.07Å; K386-D506 IonicContact NZ-OD1 3.92Å; K386-D506 PolarHBondContact NZ-OD1 2.54Å; K386-K704 WeakPolarHBondContact O-CE 3.33Å
387	G	90.8	Very high	95.7	Very high	2 Å²	2	19.2 Å²	19.2	2%	0.021	9%	0.088	C	C	.	.	S	Bend	trans	-78.7	-172.3	179.9	0	0	0	0	0	115.5	G389 K704	G387-G389 VanDerWaalsContact C-N 3.33Å; G387-K704 WeakPolarHBondContact O-CE 3.34Å; G387-K704 VanDerWaalsContact O-CG 3.28Å; G387-K704 WeakPolarHBondContact O-CG 3.34Å
388	R	93.4	Very high	95.3	Very high	98 Å²	98	19.1 Å²	19.1	37%	0.37	9%	0.088	S	C	.	.	S	Bend	trans	-73.7	-28.3	170.8	-60.2	-179.5	166.4	-146.8	-5.5	112	E601 R702 E703 Q708	R388-E601 WeakPolarHBondContact CA-OE2 3.18Å; R388-E601 WeakPolarHBondContact CB-OE2 3.45Å; R388-E601 PolarHBondContact N-OE2 2.89Å; R388-R702 HydrophobicContact CG-CB 4.41Å; R388-E703 PolarHBondContact NE-O 3.25Å; R388-E703 PolarHBondContact NH2-O 3.33Å; R388-Q708 PolarHBondContact O-NE2 3.32Å; R388-Q708 VanDerWaalsContact O-NE2 3.13Å
389	G	96.1	Very high	94.8	Very high	1 Å²	1	19.5 Å²	19.5	1%	0.01	9%	0.092	C	C	.	.	S	Bend	trans	-140	-171.7	169.1	0	0	0	0	0	110.5	V385 G387 R391 P599 E601	V385-G389 WeakPolarHBondContact CG2-O 3.38Å; G387-G389 VanDerWaalsContact C-N 3.33Å; G389-R391 PolarHBondContact O-N 2.94Å; G389-P599 CarbonylContact C-O 3.51Å; G389-P599 WeakPolarHBondContact CA-O 3.44Å; G389-E601 PolarHBondContact N-OE2 2.97Å
390	I	98.1	Very high	94.5	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	125.9	-178.8	-44	172.7	0	0	0	109.6	V385 I392 K592 W595 T598 P599 L600 E601 C602	V385-I390 HydrophobicContact CG1-CB 4.36Å; V385-I390 HydrophobicContact CG1-CG1 4.11Å; V385-I390 HydrophobicContact CG1-CG2 4.27Å; I390-I392 HydrophobicContact CG2-CD1 4.29Å; I390-I392 HydrophobicContact CG2-CG1 3.81Å; I390-K592 HydrophobicContact CD1-CD 4.49Å; I390-W595 HydrophobicContact CD1-CB 3.94Å; I390-W595 HydrophobicContact CD1-CE3 4.13Å; I390-W595 HydrophobicContact CG1-CB 4.33Å; I390-W595 HydrophobicContact CG1-CE3 4.25Å; I390-W595 HydrophobicContact CG2-CE3 3.91Å; I390-W595 HydrophobicContact CG2-CZ3 3.94Å; I390-T598 HydrophobicContact CG1-CG2 3.72Å; I390-P599 PolarHBondContact N-O 3.3Å; I390-L600 HydrophobicContact CB-CD2 4.22Å; I390-L600 HydrophobicContact CD1-CD2 4.23Å; I390-E601 PolarHBondContact O-N 3.41Å; I390-C602 PolarHBondContact O-N 3.43Å
391	R	98.6	Very high	94.4	Very high	13 Å²	13	21.8 Å²	21.8	5%	0.049	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	117.3	172.4	-56.3	166.4	-60	144.9	21.4	109.2	G389 E422 L423 F424 D425 Y426 C602 L700	G389-R391 PolarHBondContact O-N 2.94Å; R391-E422 PolarHBondContact NH1-O 3.44Å; R391-E422 PolarHBondContact NH2-O 3.49Å; R391-L423 WeakPolarHBondContact CD-O 3.38Å; R391-L423 PolarHBondContact NE-O 2.88Å; R391-L423 PolarHBondContact NH1-O 3.03Å; R391-F424 HydrophobicContact CB-CD1 4.32Å; R391-D425 VanDerWaalsContact CB-OD2 3.29Å; R391-D425 WeakPolarHBondContact CB-OD2 3.33Å; R391-D425 WeakPolarHBondContact CG-OD2 3.42Å; R391-D425 IonicContact CZ-OD1 3.15Å; R391-D425 IonicContact CZ-OD2 3.66Å; R391-D425 PolarHBondContact N-OD2 3.14Å; R391-D425 IonicContact NE-OD1 2.64Å; R391-D425 IonicContact NE-OD2 2.65Å; R391-D425 PolarHBondContact NE-OD2 3.43Å; R391-D425 IonicContact NH2-OD1 2.64Å; R391-D425 PolarHBondContact NH2-OD1 3.48Å; R391-D425 IonicContact NH2-OD2 2.85Å; R391-D425 PolarHBondContact NH2-OD2 3.19Å; R391-D425 PolarHBondContact O-N 3.24Å; R391-Y426 PolarHBondContact O-N 3.06Å; R391-Y426 VanDerWaalsContact O-N 3.14Å; R391-C602 CarbonylContact C-O 3.3Å; R391-C602 WeakPolarHBondContact CA-O 3.33Å; R391-L700 HydrophobicContact CB-CD2 3.79Å; R391-L700 HydrophobicContact CG-CD2 3.92Å; R391-L700 PolarHBondContact NH1-O 2.96Å
392	I	98.8	Very high	94.4	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	131.2	-174.2	-54.3	-178.9	0	0	0	109.9	I390 F424 Y426 A587 I588 S591 L600 C602 V603 V604	I390-I392 HydrophobicContact CG2-CD1 4.29Å; I390-I392 HydrophobicContact CG2-CG1 3.81Å; I392-F424 VanDerWaalsContact C-CD1 3.44Å; I392-Y426 CarbonylContact C-O 3.48Å; I392-Y426 WeakPolarHBondContact CA-O 3.46Å; I392-Y426 HydrophobicContact CG2-CD1 4.24Å; I392-A587 HydrophobicContact CG2-CB 3.8Å; I392-I588 HydrophobicContact CD1-CG1 3.93Å; I392-S591 VanDerWaalsContact CD1-OG 3.3Å; I392-S591 WeakPolarHBondContact CD1-OG 3.49Å; I392-L600 HydrophobicContact CD1-CD2 3.68Å; I392-C602 PolarHBondContact N-O 2.81Å; I392-V603 HydrophobicContact CB-CG1 4.25Å; I392-V603 HydrophobicContact CB-CG2 4.23Å; I392-V603 HydrophobicContact CD1-CG2 4.14Å; I392-V603 HydrophobicContact CG1-CG2 4.37Å; I392-V603 HydrophobicContact CG2-CG1 4.41Å; I392-V603 WeakPolarHBondContact O-CA 3.22Å; I392-V604 PolarHBondContact O-N 3.1Å
393	L	98.9	Very high	94.4	Very high	1 Å²	1	19.7 Å²	19.7	1%	0.005	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	132.7	162.2	177.2	58.8	0	0	0	109.1	I395 L409 I420 F424 Y426 I427 C428 V604 L606	L393-I395 HydrophobicContact CD1-CG1 4.14Å; L393-I395 HydrophobicContact CD2-CD1 4.15Å; L393-I395 HydrophobicContact CD2-CG1 4.4Å; L393-I395 HydrophobicContact CG-CD1 4.32Å; L393-I395 HydrophobicContact CG-CG1 4.02Å; L393-L409 HydrophobicContact CD1-CD2 4.06Å; L393-L409 HydrophobicContact CD2-CD2 3.78Å; L393-I420 HydrophobicContact CD2-CG2 3.76Å; L393-F424 HydrophobicContact CB-CB 4.26Å; L393-F424 HydrophobicContact CB-CD1 3.7Å; L393-F424 HydrophobicContact CB-CD2 3.79Å; L393-F424 HydrophobicContact CB-CE1 3.88Å; L393-F424 HydrophobicContact CB-CE2 3.99Å; L393-F424 HydrophobicContact CB-CG 3.63Å; L393-F424 HydrophobicContact CB-CZ 4.03Å; L393-F424 HydrophobicContact CD1-CE2 4.38Å; L393-F424 HydrophobicContact CD1-CZ 4.21Å; L393-F424 HydrophobicContact CD2-CD2 3.97Å; L393-F424 HydrophobicContact CD2-CE2 3.94Å; L393-F424 HydrophobicContact CG-CD2 4.44Å; L393-F424 HydrophobicContact CG-CE2 4.34Å; L393-F424 HydrophobicContact CG-CZ 4.5Å; L393-Y426 PolarHBondContact N-O 3.43Å; L393-I427 HydrophobicContact CB-CG1 4.26Å; L393-I427 HydrophobicContact CB-CG2 4.45Å; L393-I427 HydrophobicContact CD2-CG1 4.48Å; L393-I427 HydrophobicContact CD2-CG2 4.16Å; L393-I427 HydrophobicContact CG-CG2 4.38Å; L393-I427 CarbonylContact O-C 3.59Å; L393-I427 WeakPolarHBondContact O-CA 3.3Å; L393-C428 PolarHBondContact O-N 3.1Å; L393-V604 CarbonylContact C-O 3.56Å; L393-V604 HydrophobicContact CD1-CB 4.28Å; L393-V604 HydrophobicContact CD1-CG1 4.12Å; L393-L606 HydrophobicContact CD1-CD1 3.8Å; L393-L606 HydrophobicContact CD1-CG 4Å
394	S	98.8	Very high	94.6	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	129.6	173.3	-177.1	0	0	0	0	109	C428 P583 T584 V604 S605 L606	S394-C428 WeakPolarHBondContact CA-O 3.45Å; S394-P583 WeakPolarHBondContact OG-CG 3.4Å; S394-T584 WeakPolarHBondContact CB-OG1 3.45Å; S394-T584 WeakPolarHBondContact OG-CA 3.41Å; S394-T584 PolarHBondContact OG-N 3.41Å; S394-T584 VanDerWaalsContact OG-N 3.13Å; S394-T584 PolarHBondContact OG-OG1 2.94Å; S394-T584 VanDerWaalsContact OG-OG1 3.06Å; S394-V604 PolarHBondContact N-O 3.23Å; S394-S605 WeakPolarHBondContact O-CA 3.19Å; S394-L606 PolarHBondContact O-N 3.37Å
395	I	98.6	Very high	94.9	Very high	0 Å²	0	13 Å²	13	0%	0	6%	0.057	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	125.4	-179.7	-44	178.7	0	0	0	109.6	L393 A405 L409 C428 G429 V430 G433 I436 L606	L393-I395 HydrophobicContact CD1-CG1 4.14Å; L393-I395 HydrophobicContact CD2-CD1 4.15Å; L393-I395 HydrophobicContact CD2-CG1 4.4Å; L393-I395 HydrophobicContact CG-CD1 4.32Å; L393-I395 HydrophobicContact CG-CG1 4.02Å; I395-A405 HydrophobicContact CG2-CB 3.84Å; I395-L409 HydrophobicContact CD1-CD1 4.12Å; I395-C428 PolarHBondContact N-O 3.27Å; I395-G429 WeakPolarHBondContact O-CA 3.44Å; I395-V430 PolarHBondContact O-N 3.03Å; I395-G433 VanDerWaalsContact CG2-CA 3.47Å; I395-I436 HydrophobicContact CD1-CB 4.27Å; I395-I436 HydrophobicContact CD1-CG2 3.8Å; I395-L606 HydrophobicContact CG1-CD1 4.46Å; I395-L606 HydrophobicContact CG2-CB 4.37Å
396	D	97.8	Very high	95	Very high	1 Å²	1	12.8 Å²	12.8	1%	0.005	6%	0.056	C	C	.	.			trans	-75	164.3	-175.9	-62.3	4	0	0	0	112.9	G433 N581 N582 L606 G607 T638 R656	D396-G433 PolarHBondContact O-N 3.06Å; D396-N581 VanDerWaalsContact CA-O 3.25Å; D396-N581 WeakPolarHBondContact CA-O 3.5Å; D396-N581 WeakPolarHBondContact CB-O 3.27Å; D396-N582 WeakPolarHBondContact OD1-CA 3.39Å; D396-L606 PolarHBondContact N-O 2.87Å; D396-G607 WeakPolarHBondContact OD2-CA 3.4Å; D396-T638 HydrophobicContact CB-CG2 4.39Å; D396-T638 WeakPolarHBondContact OD2-CB 3.39Å; D396-T638 VanDerWaalsContact OD2-CG2 3.32Å; D396-T638 WeakPolarHBondContact OD2-CG2 3.48Å; D396-R656 VanDerWaalsContact CG-NH1 3.3Å; D396-R656 IonicContact OD1-NH1 2.7Å; D396-R656 PolarHBondContact OD1-NH1 2.89Å; D396-R656 IonicContact OD2-CZ 3.81Å; D396-R656 IonicContact OD2-NH1 2.97Å; D396-R656 PolarHBondContact OD2-NH1 3.41Å; D396-R656 IonicContact OD2-NH2 3.93Å; D396-R656 PolarHBondContact OD2-NH2 3.13Å
397	G	94.4	Very high	95.3	Very high	1 Å²	1	8.5 Å²	8.5	1%	0.01	4%	0.037	C	C	.	.			trans	-81.1	145	167.2	0	0	0	0	0	112.7	V430 N581 T608	G397-V430 WeakPolarHBondContact CA-O 3.47Å; G397-N581 WeakPolarHBondContact CA-OD1 3.3Å; G397-N581 PolarHBondContact N-O 3.37Å; G397-N581 VanDerWaalsContact N-O 3.16Å; G397-N581 PolarHBondContact N-OD1 3.31Å; G397-N581 PolarHBondContact O-ND2 2.88Å; G397-N581 PolarHBondContact O-OD1 3.39Å; G397-N581 VanDerWaalsContact O-OD1 3.09Å; G397-T608 PolarHBondContact O-OG1 3.07Å
398	G	88.6	Confident	95.6	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	4%	0.038	C	C	.	.			trans	-176.7	8.7	-177.7	0	0	0	0	0	118.4	R401 T608 M667	G398-R401 PolarHBondContact O-NE 3Å; G398-T608 WeakPolarHBondContact CA-OG1 3.41Å; G398-M667 WeakPolarHBondContact O-CG 3.4Å
399	G	88.4	Confident	95.9	Very high	9 Å²	9	4.1 Å²	4.1	9%	0.093	2%	0.021	C	C	.	.	G	3₁₀ helix	trans	60.7	-154.5	-170.1	0	0	0	0	0	112.3	R401 G402 T432 Y454 M667	G399-R401 PolarHBondContact O-N 3.4Å; G399-G402 PolarHBondContact O-N 3.49Å; G399-T432 WeakPolarHBondContact O-CG2 3.28Å; G399-T432 PolarHBondContact O-OG1 3.49Å; G399-Y454 PolarHBondContact O-OH 3.46Å; G399-M667 CarbonylContact C-O 3.58Å; G399-M667 WeakPolarHBondContact CA-O 3.3Å
400	L	90.5	Very high	95.9	Very high	7 Å²	7	7.3 Å²	7.3	4%	0.037	4%	0.035	C	C	.	.	G	3₁₀ helix	trans	-59.9	-9.3	-172.6	-62.5	-174	0	0	0	115.8	G402 V403 Y454 F462 M667 E669 L675	L400-G402 PolarHBondContact O-N 2.77Å; L400-V403 PolarHBondContact O-N 3.25Å; L400-Y454 VanDerWaalsContact CA-OH 3.3Å; L400-Y454 WeakPolarHBondContact CA-OH 3.5Å; L400-Y454 HydrophobicContact CD2-CE1 4.02Å; L400-F462 HydrophobicContact CD1-CD2 3.73Å; L400-F462 HydrophobicContact CD1-CE2 3.91Å; L400-F462 HydrophobicContact CD2-CD2 4.49Å; L400-F462 HydrophobicContact CD2-CE2 3.97Å; L400-F462 HydrophobicContact CG-CD2 4.1Å; L400-F462 HydrophobicContact CG-CE2 3.73Å; L400-M667 PolarHBondContact N-O 2.87Å; L400-E669 WeakPolarHBondContact CD1-O 3.3Å; L400-L675 HydrophobicContact CB-CD2 3.87Å
401	R	92.9	Very high	95.9	Very high	42 Å²	42	11.2 Å²	11.2	16%	0.158	5%	0.052	C	C	.	.	G	3₁₀ helix	trans	-59.3	-10	164.6	-55.7	-174.9	-69.9	162.2	-7.1	113.8	G398 G399 V403 L404 T608 G609 L678	G398-R401 PolarHBondContact O-NE 3Å; G399-R401 PolarHBondContact O-N 3.4Å; R401-V403 PolarHBondContact O-N 3.17Å; R401-L404 HydrophobicContact CB-CD1 4.48Å; R401-L404 WeakPolarHBondContact O-CB 3.22Å; R401-L404 WeakPolarHBondContact O-CG 3.42Å; R401-L404 PolarHBondContact O-N 3.45Å; R401-T608 VanDerWaalsContact CB-O 3.3Å; R401-T608 WeakPolarHBondContact CB-O 3.15Å; R401-G609 PolarHBondContact NH1-O 3.36Å; R401-L678 HydrophobicContact CB-CD1 4.32Å; R401-L678 HydrophobicContact CG-CD1 3.93Å
402	G	94.3	Very high	95.8	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	5%	0.051	C	C	.	.	G	3₁₀ helix	trans	-52.2	-20.5	168.2	0	0	0	0	0	115.3	G399 L400 L404 A405 L406	G399-G402 PolarHBondContact O-N 3.49Å; L400-G402 PolarHBondContact O-N 2.77Å; G402-L404 PolarHBondContact O-N 3.06Å; G402-L404 VanDerWaalsContact O-N 3.1Å; G402-A405 PolarHBondContact O-N 2.83Å; G402-L406 PolarHBondContact O-N 3.46Å; G402-L406 VanDerWaalsContact O-N 3.1Å
403	V	94.9	Very high	95.7	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-53.1	-28.6	170	-64.5	0	0	0	0	113.3	L400 R401 L406 Q407 Y454 R455 L675 L678	L400-V403 PolarHBondContact O-N 3.25Å; R401-V403 PolarHBondContact O-N 3.17Å; V403-L406 PolarHBondContact O-N 3.14Å; V403-Q407 VanDerWaalsContact O-CG 3.3Å; V403-Q407 WeakPolarHBondContact O-CG 3.42Å; V403-Q407 PolarHBondContact O-N 3.49Å; V403-Q407 PolarHBondContact O-NE2 2.95Å; V403-Q407 VanDerWaalsContact O-NE2 3.08Å; V403-Y454 HydrophobicContact CG1-CD1 4.22Å; V403-Y454 HydrophobicContact CG1-CE1 4.19Å; V403-R455 HydrophobicContact CG1-CG 4.39Å; V403-L675 HydrophobicContact CG1-CD2 4.45Å; V403-L675 HydrophobicContact CG2-CD2 4.5Å; V403-L678 HydrophobicContact CG2-CB 3.95Å; V403-L678 HydrophobicContact CG2-CD1 4.22Å
404	L	95.6	Very high	95.6	Very high	1 Å²	1	16.2 Å²	16.2	1%	0.005	9%	0.091	C	C	.	.	H	α-helix	trans	-69.6	-41.4	177.1	-64.2	168.4	0	0	0	112.5	R401 G402 L406 Q407 T408 T608 P659 V661 L678	R401-L404 HydrophobicContact CB-CD1 4.48Å; R401-L404 WeakPolarHBondContact O-CB 3.22Å; R401-L404 WeakPolarHBondContact O-CG 3.42Å; R401-L404 PolarHBondContact O-N 3.45Å; G402-L404 PolarHBondContact O-N 3.06Å; G402-L404 VanDerWaalsContact O-N 3.1Å; L404-L406 VanDerWaalsContact C-N 3.35Å; L404-Q407 PolarHBondContact O-N 2.95Å; L404-T408 PolarHBondContact O-N 2.87Å; L404-T408 PolarHBondContact O-OG1 3.13Å; L404-T608 WeakPolarHBondContact CD1-O 3.31Å; L404-P659 HydrophobicContact CB-CG 4.26Å; L404-P659 HydrophobicContact CD1-CG 3.96Å; L404-P659 HydrophobicContact CD2-CG 4Å; L404-P659 HydrophobicContact CG-CG 4.3Å; L404-V661 HydrophobicContact CD1-CG2 4.14Å; L404-L678 HydrophobicContact CD1-CD2 4.41Å; L404-L678 HydrophobicContact CD2-CB 4.19Å; L404-L678 WeakPolarHBondContact CD2-O 3.45Å; L404-L678 HydrophobicContact CG-CB 4.46Å
405	A	97.3	Very high	95.6	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-65.6	-41.4	173	0	0	0	0	0	110.5	I395 G402 Q407 T408 L409 L606	I395-A405 HydrophobicContact CG2-CB 3.84Å; G402-A405 PolarHBondContact O-N 2.83Å; A405-Q407 PolarHBondContact O-N 2.84Å; A405-T408 WeakPolarHBondContact O-CB 3.49Å; A405-T408 PolarHBondContact O-N 3.3Å; A405-T408 VanDerWaalsContact O-N 3.11Å; A405-L409 WeakPolarHBondContact O-CG 3.37Å; A405-L409 PolarHBondContact O-N 3.31Å; A405-L606 HydrophobicContact CB-CB 3.92Å; A405-L606 HydrophobicContact CB-CD1 4.06Å
406	L	97.4	Very high	95.5	Very high	1 Å²	1	20.6 Å²	20.6	1%	0.005	11%	0.114	C	C	.	.	H	α-helix	trans	-60.1	-39.1	175.3	-72.6	162.1	0	0	0	112.8	G402 V403 L404 T408 L409 Q410 I436 L440 V447 C450 D451 Y454	G402-L406 PolarHBondContact O-N 3.46Å; G402-L406 VanDerWaalsContact O-N 3.1Å; V403-L406 PolarHBondContact O-N 3.14Å; L404-L406 VanDerWaalsContact C-N 3.35Å; L406-T408 VanDerWaalsContact C-N 3.3Å; L406-T408 PolarHBondContact O-N 3.1Å; L406-L409 PolarHBondContact O-N 2.78Å; L406-Q410 WeakPolarHBondContact O-CB 3.42Å; L406-Q410 PolarHBondContact O-N 3.38Å; L406-I436 HydrophobicContact CD1-CD1 4.1Å; L406-I436 HydrophobicContact CD1-CG1 4.34Å; L406-I436 HydrophobicContact CD2-CG1 4.43Å; L406-I436 HydrophobicContact CD2-CG2 3.89Å; L406-I436 HydrophobicContact CG-CD1 4.03Å; L406-I436 HydrophobicContact CG-CG1 4.36Å; L406-I436 HydrophobicContact CG-CG2 4.4Å; L406-L440 HydrophobicContact CD2-CD1 4.49Å; L406-V447 HydrophobicContact CD2-CG1 3.98Å; L406-C450 HydrophobicContact CD2-CB 4.14Å; L406-D451 HydrophobicContact CD1-CB 4.21Å; L406-Y454 HydrophobicContact CD1-CD1 3.83Å; L406-Y454 HydrophobicContact CD1-CE1 4.47Å; L406-Y454 HydrophobicContact CD1-CG 4.1Å
407	Q	96.9	Very high	95.5	Very high	1 Å²	1	24 Å²	24	1%	0.005	15%	0.15	C	C	.	.	H	α-helix	trans	-61.7	-39.4	174	-60.3	-35.6	-76.9	0	0	112.1	V403 L404 A405 Q410 K411 Q679 L683 L686	V403-Q407 VanDerWaalsContact O-CG 3.3Å; V403-Q407 WeakPolarHBondContact O-CG 3.42Å; V403-Q407 PolarHBondContact O-N 3.49Å; V403-Q407 PolarHBondContact O-NE2 2.95Å; V403-Q407 VanDerWaalsContact O-NE2 3.08Å; L404-Q407 PolarHBondContact O-N 2.95Å; A405-Q407 PolarHBondContact O-N 2.84Å; Q407-Q410 PolarHBondContact O-N 2.65Å; Q407-K411 WeakPolarHBondContact O-CG 3.42Å; Q407-K411 PolarHBondContact O-N 3.06Å; Q407-K411 VanDerWaalsContact O-N 3.08Å; Q407-Q679 HydrophobicContact CG-CG 4.12Å; Q407-L683 HydrophobicContact CG-CG 4.48Å; Q407-L686 HydrophobicContact CB-CD1 3.88Å
408	T	97.8	Very high	95.6	Very high	7 Å²	7	28.1 Å²	28.1	4%	0.043	17%	0.167	C	C	.	.	H	α-helix	trans	-66.6	-43.4	179	-51.1	0	0	0	0	110.8	L404 A405 L406 L412 L606 F657 L686 L693	L404-T408 PolarHBondContact O-N 2.87Å; L404-T408 PolarHBondContact O-OG1 3.13Å; A405-T408 WeakPolarHBondContact O-CB 3.49Å; A405-T408 PolarHBondContact O-N 3.3Å; A405-T408 VanDerWaalsContact O-N 3.11Å; L406-T408 VanDerWaalsContact C-N 3.3Å; L406-T408 PolarHBondContact O-N 3.1Å; T408-L412 WeakPolarHBondContact O-CB 3.25Å; T408-L412 PolarHBondContact O-N 3.08Å; T408-L606 HydrophobicContact CG2-CD2 3.56Å; T408-F657 HydrophobicContact CG2-CB 4.2Å; T408-F657 HydrophobicContact CG2-CD1 4.35Å; T408-F657 HydrophobicContact CG2-CD2 4.23Å; T408-F657 HydrophobicContact CG2-CG 4.02Å; T408-L686 HydrophobicContact CG2-CD2 3.85Å; T408-L693 HydrophobicContact CG2-CD1 4.08Å
409	L	98.3	Very high	96	Very high	1 Å²	1	30 Å²	30	1%	0.005	18%	0.179	C	C	.	.	H	α-helix	trans	-66.1	-41	176.7	-66.6	167	0	0	0	111.8	L393 I395 A405 L406 K411 L412 E413 I420 I436 L440 V447 L606	L393-L409 HydrophobicContact CD1-CD2 4.06Å; L393-L409 HydrophobicContact CD2-CD2 3.78Å; I395-L409 HydrophobicContact CD1-CD1 4.12Å; A405-L409 WeakPolarHBondContact O-CG 3.37Å; A405-L409 PolarHBondContact O-N 3.31Å; L406-L409 PolarHBondContact O-N 2.78Å; L409-K411 PolarHBondContact O-N 3.3Å; L409-L412 WeakPolarHBondContact O-CB 3.1Å; L409-L412 PolarHBondContact O-N 3.46Å; L409-L412 VanDerWaalsContact O-N 3.09Å; L409-E413 PolarHBondContact O-N 2.79Å; L409-I420 HydrophobicContact CB-CD1 4.06Å; L409-I420 HydrophobicContact CB-CG1 4.31Å; L409-I420 HydrophobicContact CD2-CD1 3.67Å; L409-I420 HydrophobicContact CD2-CG1 4.1Å; L409-I420 HydrophobicContact CD2-CG2 4.34Å; L409-I420 HydrophobicContact CG-CD1 4.46Å; L409-I436 HydrophobicContact CD1-CG2 4.1Å; L409-L440 HydrophobicContact CD1-CD1 3.64Å; L409-V447 HydrophobicContact CB-CG1 4.1Å; L409-V447 HydrophobicContact CB-CG2 4.02Å; L409-L606 HydrophobicContact CD1-CD1 3.94Å; L409-L606 HydrophobicContact CD2-CD1 3.76Å; L409-L606 HydrophobicContact CG-CD1 3.59Å
410	Q	97.5	Very high	96.5	Very high	68 Å²	68	29.6 Å²	29.6	32%	0.318	18%	0.175	S	C	.	.	H	α-helix	trans	-64.3	-42	178.7	-168.4	-178.2	25.2	0	0	111.9	L406 Q407 L412 A414 V447	L406-Q410 WeakPolarHBondContact O-CB 3.42Å; L406-Q410 PolarHBondContact O-N 3.38Å; Q407-Q410 PolarHBondContact O-N 2.65Å; Q410-L412 VanDerWaalsContact C-N 3.29Å; Q410-L412 PolarHBondContact O-N 2.95Å; Q410-A414 WeakPolarHBondContact O-CB 3.37Å; Q410-A414 PolarHBondContact O-N 3.26Å; Q410-A414 VanDerWaalsContact O-N 3.08Å; Q410-V447 HydrophobicContact CB-CG1 3.81Å
411	K	97.3	Very high	96.8	Very high	83 Å²	83	30.5 Å²	30.5	36%	0.361	18%	0.179	S	C	.	.	H	α-helix	trans	-67.3	-30.7	173.5	-69.2	-74.7	-172.3	167.6	0	111.7	Q407 L409 L415 L683 L686 L693	Q407-K411 WeakPolarHBondContact O-CG 3.42Å; Q407-K411 PolarHBondContact O-N 3.06Å; Q407-K411 VanDerWaalsContact O-N 3.08Å; L409-K411 PolarHBondContact O-N 3.3Å; K411-L415 WeakPolarHBondContact O-CB 3.11Å; K411-L415 VanDerWaalsContact O-CG 3.32Å; K411-L415 WeakPolarHBondContact O-CG 3.04Å; K411-L415 PolarHBondContact O-N 3.49Å; K411-L683 VanDerWaalsContact CE-CD2 3.47Å; K411-L686 HydrophobicContact CG-CD1 4.18Å; K411-L693 HydrophobicContact CB-CD2 3.52Å
412	L	97.5	Very high	97	Very high	2 Å²	2	31.8 Å²	31.8	1%	0.01	19%	0.187	C	C	.	.	H	α-helix	trans	-72.9	-42.6	176.3	-173.7	62.9	0	0	0	112.8	T408 L409 Q410 A414 L415 T416 L423 F424 L693 V696 A697 L700	T408-L412 WeakPolarHBondContact O-CB 3.25Å; T408-L412 PolarHBondContact O-N 3.08Å; L409-L412 WeakPolarHBondContact O-CB 3.1Å; L409-L412 PolarHBondContact O-N 3.46Å; L409-L412 VanDerWaalsContact O-N 3.09Å; Q410-L412 VanDerWaalsContact C-N 3.29Å; Q410-L412 PolarHBondContact O-N 2.95Å; L412-A414 VanDerWaalsContact C-N 3.31Å; L412-A414 PolarHBondContact O-N 2.96Å; L412-L415 PolarHBondContact O-N 2.83Å; L412-T416 HydrophobicContact CD1-CG2 4.05Å; L412-T416 WeakPolarHBondContact O-CB 3.43Å; L412-T416 WeakPolarHBondContact O-CG2 3.3Å; L412-T416 PolarHBondContact O-N 3.11Å; L412-T416 PolarHBondContact O-OG1 3.42Å; L412-L423 HydrophobicContact CD2-CD1 4.15Å; L412-L423 HydrophobicContact CG-CD1 3.97Å; L412-F424 HydrophobicContact CD2-CE2 4.04Å; L412-F424 HydrophobicContact CD2-CZ 3.83Å; L412-L693 HydrophobicContact CB-CD1 4.5Å; L412-L693 HydrophobicContact CD1-CD1 4.39Å; L412-V696 HydrophobicContact CD1-CG1 3.92Å; L412-V696 HydrophobicContact CD2-CG1 4.42Å; L412-A697 HydrophobicContact CD1-CB 4.07Å; L412-L700 HydrophobicContact CD1-CD1 4.18Å; L412-L700 HydrophobicContact CD2-CD1 3.77Å; L412-L700 HydrophobicContact CG-CD1 4.42Å
413	E	97	Very high	97.2	Very high	34 Å²	34	31.8 Å²	31.8	16%	0.159	19%	0.187	C	C	.	.	H	α-helix	trans	-58.4	-45.4	170.4	-67.6	-164.8	144.5	0	0	110.1	L409 L415 T416 G417 P419 I420 V447	L409-E413 PolarHBondContact O-N 2.79Å; E413-L415 PolarHBondContact O-N 3.1Å; E413-T416 PolarHBondContact O-N 3.46Å; E413-T416 PolarHBondContact O-OG1 3.46Å; E413-G417 WeakPolarHBondContact O-CA 3.42Å; E413-G417 PolarHBondContact O-N 3.43Å; E413-P419 VanDerWaalsContact OE1-CA 3.28Å; E413-P419 WeakPolarHBondContact OE1-CA 3.33Å; E413-I420 HydrophobicContact CG-CD1 3.58Å; E413-I420 HydrophobicContact CG-CG1 3.88Å; E413-I420 PolarHBondContact OE1-N 3.02Å; E413-I420 VanDerWaalsContact OE1-N 3.08Å; E413-V447 HydrophobicContact CG-CG2 4Å; E413-V447 WeakPolarHBondContact OE1-CG2 3.38Å; E413-V447 VanDerWaalsContact OE2-CB 3.31Å; E413-V447 WeakPolarHBondContact OE2-CB 3.37Å; E413-V447 VanDerWaalsContact OE2-CG2 3.28Å; E413-V447 WeakPolarHBondContact OE2-CG2 3.39Å; E413-V447 PolarHBondContact OE2-N 3.32Å
414	A	97	Very high	97.3	Very high	83 Å²	83	31.8 Å²	31.8	69%	0.686	19%	0.187	S	C	*	.	H	α-helix	trans	-63.8	-33.9	179.3	0	0	0	0	0	114.1	Q410 L412	Q410-A414 WeakPolarHBondContact O-CB 3.37Å; Q410-A414 PolarHBondContact O-N 3.26Å; Q410-A414 VanDerWaalsContact O-N 3.08Å; L412-A414 VanDerWaalsContact C-N 3.31Å; L412-A414 PolarHBondContact O-N 2.96Å
415	L	97.5	Very high	97.4	Very high	71 Å²	71	32.2 Å²	32.2	37%	0.372	19%	0.189	S	C	.	.	H	α-helix	trans	-81.8	-21.5	177.3	-76.8	170.3	0	0	0	114	K411 L412 E413 L693 R694 A697	K411-L415 WeakPolarHBondContact O-CB 3.11Å; K411-L415 VanDerWaalsContact O-CG 3.32Å; K411-L415 WeakPolarHBondContact O-CG 3.04Å; K411-L415 PolarHBondContact O-N 3.49Å; L412-L415 PolarHBondContact O-N 2.83Å; E413-L415 PolarHBondContact O-N 3.1Å; L415-L693 HydrophobicContact CD1-CB 4.25Å; L415-L693 HydrophobicContact CD1-CD2 3.68Å; L415-L693 HydrophobicContact CD1-CG 3.75Å; L415-R694 HydrophobicContact CD1-CG 4.44Å; L415-R694 HydrophobicContact CD2-CG 4.36Å; L415-A697 HydrophobicContact CB-CB 3.89Å
416	T	97.2	Very high	97.5	Very high	21 Å²	21	32.2 Å²	32.2	13%	0.129	19%	0.189	C	C	.	.	H	α-helix	trans	-106.1	-19.3	-176.4	57.5	0	0	0	0	114	L412 E413 K418 L423 A697 T701	L412-T416 HydrophobicContact CD1-CG2 4.05Å; L412-T416 WeakPolarHBondContact O-CB 3.43Å; L412-T416 WeakPolarHBondContact O-CG2 3.3Å; L412-T416 PolarHBondContact O-N 3.11Å; L412-T416 PolarHBondContact O-OG1 3.42Å; E413-T416 PolarHBondContact O-N 3.46Å; E413-T416 PolarHBondContact O-OG1 3.46Å; T416-K418 PolarHBondContact O-N 3.29Å; T416-K418 PolarHBondContact OG1-N 2.91Å; T416-L423 HydrophobicContact CG2-CD1 4.21Å; T416-L423 HydrophobicContact CG2-CD2 3.93Å; T416-A697 HydrophobicContact CG2-CB 3.67Å; T416-T701 HydrophobicContact CG2-CG2 3.83Å
417	G	97	Very high	97.6	Very high	73 Å²	73	32.2 Å²	32.2	75%	0.753	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	67.9	17	-174.2	0	0	0	0	0	114.1	E413	E413-G417 WeakPolarHBondContact O-CA 3.42Å; E413-G417 PolarHBondContact O-N 3.43Å
418	K	96.6	Very high	97.7	Very high	86 Å²	86	32.1 Å²	32.1	37%	0.374	19%	0.189	S	C	.	.	S	Bend	trans	-132	147	-172.9	-76.7	173.2	170.7	-89.7	0	111.6	T416 E422 L423	T416-K418 PolarHBondContact O-N 3.29Å; T416-K418 PolarHBondContact OG1-N 2.91Å; K418-E422 HydrophobicContact CB-CB 4.46Å; K418-E422 IonicContact NZ-OE2 3.58Å; K418-E422 PolarHBondContact NZ-OE2 3.27Å; K418-L423 HydrophobicContact CB-CD2 3.87Å; K418-L423 HydrophobicContact CB-CG 4.24Å; K418-L423 HydrophobicContact CD-CD2 4.22Å
419	P	97.4	Very high	97.7	Very high	39 Å²	39	31.9 Å²	31.9	25%	0.253	19%	0.187	S	C	.	.			trans	-71.5	153	175.9	31.9	-36	0	0	0	111.7	E413 H421 E422	E413-P419 VanDerWaalsContact OE1-CA 3.28Å; E413-P419 WeakPolarHBondContact OE1-CA 3.33Å; P419-H421 PolarHBondContact O-N 2.91Å; P419-H421 VanDerWaalsContact O-N 3.09Å; P419-E422 WeakPolarHBondContact CD-OE1 3.29Å; P419-E422 HydrophobicContact CG-CB 4.4Å; P419-E422 HydrophobicContact CG-CG 4.03Å; P419-E422 PolarHBondContact O-N 3.32Å
420	I	97.9	Very high	97.7	Very high	2 Å²	2	31.8 Å²	31.8	1%	0.01	19%	0.187	C	C	.	.	H	α-helix	trans	-52.6	-36.1	-176.5	-62.9	-50.7	0	0	0	113.8	L393 L409 E413 E422 L423 F424 I427 L440 V447	L393-I420 HydrophobicContact CD2-CG2 3.76Å; L409-I420 HydrophobicContact CB-CD1 4.06Å; L409-I420 HydrophobicContact CB-CG1 4.31Å; L409-I420 HydrophobicContact CD2-CD1 3.67Å; L409-I420 HydrophobicContact CD2-CG1 4.1Å; L409-I420 HydrophobicContact CD2-CG2 4.34Å; L409-I420 HydrophobicContact CG-CD1 4.46Å; E413-I420 HydrophobicContact CG-CD1 3.58Å; E413-I420 HydrophobicContact CG-CG1 3.88Å; E413-I420 PolarHBondContact OE1-N 3.02Å; E413-I420 VanDerWaalsContact OE1-N 3.08Å; I420-E422 VanDerWaalsContact C-N 3.28Å; I420-E422 PolarHBondContact O-N 3.07Å; I420-L423 HydrophobicContact CD1-CD1 4.07Å; I420-L423 PolarHBondContact O-N 3.11Å; I420-F424 HydrophobicContact CG2-CD2 3.92Å; I420-F424 HydrophobicContact CG2-CE2 4.18Å; I420-F424 WeakPolarHBondContact O-CD2 3.44Å; I420-F424 PolarHBondContact O-N 3.19Å; I420-I427 HydrophobicContact CG2-CD1 4.26Å; I420-L440 HydrophobicContact CB-CB 4.28Å; I420-L440 HydrophobicContact CG1-CD1 4.28Å; I420-L440 HydrophobicContact CG2-CB 4.27Å; I420-V447 HydrophobicContact CD1-CG2 4.36Å; I420-V447 HydrophobicContact CG1-CG2 3.59Å
421	H	97.4	Very high	97.5	Very high	26 Å²	26	29 Å²	29	12%	0.12	18%	0.175	C	C	.	.	H	α-helix	trans	-70.2	-15.9	179.9	64.1	-102.9	0	0	0	114.9	P419 Q444 P508	P419-H421 PolarHBondContact O-N 2.91Å; P419-H421 VanDerWaalsContact O-N 3.09Å; H421-Q444 HydrophobicContact CB-CG 4.27Å; H421-Q444 PolarHBondContact CD2-NE2 3.37Å; H421-P508 HydrophobicContact CB-CG 4.36Å
422	E	96.9	Very high	97.4	Very high	68 Å²	68	25.6 Å²	25.6	32%	0.318	16%	0.161	S	C	.	.	H	α-helix	trans	-85.1	-31.3	169.3	-77.6	-173.5	-132.1	0	0	112.7	R391 K418 P419 I420	R391-E422 PolarHBondContact NH1-O 3.44Å; R391-E422 PolarHBondContact NH2-O 3.49Å; K418-E422 HydrophobicContact CB-CB 4.46Å; K418-E422 IonicContact NZ-OE2 3.58Å; K418-E422 PolarHBondContact NZ-OE2 3.27Å; P419-E422 WeakPolarHBondContact CD-OE1 3.29Å; P419-E422 HydrophobicContact CG-CB 4.4Å; P419-E422 HydrophobicContact CG-CG 4.03Å; P419-E422 PolarHBondContact O-N 3.32Å; I420-E422 VanDerWaalsContact C-N 3.28Å; I420-E422 PolarHBondContact O-N 3.07Å
423	L	97.8	Very high	97.4	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-75.5	-25.5	-172.2	-66.2	-179.7	0	0	0	113.6	R391 L412 T416 K418 I420 L700	R391-L423 WeakPolarHBondContact CD-O 3.38Å; R391-L423 PolarHBondContact NE-O 2.88Å; R391-L423 PolarHBondContact NH1-O 3.03Å; L412-L423 HydrophobicContact CD2-CD1 4.15Å; L412-L423 HydrophobicContact CG-CD1 3.97Å; T416-L423 HydrophobicContact CG2-CD1 4.21Å; T416-L423 HydrophobicContact CG2-CD2 3.93Å; K418-L423 HydrophobicContact CB-CD2 3.87Å; K418-L423 HydrophobicContact CB-CG 4.24Å; K418-L423 HydrophobicContact CD-CD2 4.22Å; I420-L423 HydrophobicContact CD1-CD1 4.07Å; I420-L423 PolarHBondContact O-N 3.11Å; L423-L700 HydrophobicContact CB-CD1 4.36Å; L423-L700 HydrophobicContact CD2-CB 4.19Å
424	F	98.4	Very high	97.4	Very high	1 Å²	1	23.9 Å²	23.9	0%	0.004	15%	0.153	C	C	.	.			trans	-123.8	144	-175.7	-60.1	-77.2	0	0	0	111.6	R391 I392 L393 L412 I420 I427 P508 V604 L700	R391-F424 HydrophobicContact CB-CD1 4.32Å; I392-F424 VanDerWaalsContact C-CD1 3.44Å; L393-F424 HydrophobicContact CB-CB 4.26Å; L393-F424 HydrophobicContact CB-CD1 3.7Å; L393-F424 HydrophobicContact CB-CD2 3.79Å; L393-F424 HydrophobicContact CB-CE1 3.88Å; L393-F424 HydrophobicContact CB-CE2 3.99Å; L393-F424 HydrophobicContact CB-CG 3.63Å; L393-F424 HydrophobicContact CB-CZ 4.03Å; L393-F424 HydrophobicContact CD1-CE2 4.38Å; L393-F424 HydrophobicContact CD1-CZ 4.21Å; L393-F424 HydrophobicContact CD2-CD2 3.97Å; L393-F424 HydrophobicContact CD2-CE2 3.94Å; L393-F424 HydrophobicContact CG-CD2 4.44Å; L393-F424 HydrophobicContact CG-CE2 4.34Å; L393-F424 HydrophobicContact CG-CZ 4.5Å; L412-F424 HydrophobicContact CD2-CE2 4.04Å; L412-F424 HydrophobicContact CD2-CZ 3.83Å; I420-F424 HydrophobicContact CG2-CD2 3.92Å; I420-F424 HydrophobicContact CG2-CE2 4.18Å; I420-F424 WeakPolarHBondContact O-CD2 3.44Å; I420-F424 PolarHBondContact O-N 3.19Å; F424-I427 HydrophobicContact CB-CG1 4.08Å; F424-P508 WeakPolarHBondContact O-CB 3.1Å; F424-V604 HydrophobicContact CE1-CB 3.98Å; F424-V604 HydrophobicContact CE1-CG2 3.78Å; F424-V604 HydrophobicContact CZ-CB 4.1Å; F424-V604 HydrophobicContact CZ-CG2 3.96Å; F424-L700 HydrophobicContact CD1-CD2 4.03Å; F424-L700 HydrophobicContact CE1-CD1 3.7Å; F424-L700 HydrophobicContact CE1-CD2 3.68Å; F424-L700 HydrophobicContact CE1-CG 4.38Å; F424-L700 HydrophobicContact CE2-CD1 4.25Å; F424-L700 HydrophobicContact CZ-CD1 3.5Å; F424-L700 HydrophobicContact CZ-CD2 4.34Å
425	D	98.3	Very high	97.4	Very high	10 Å²	10	20.4 Å²	20.4	5%	0.053	12%	0.123	C	C	.	.	S	Bend	trans	-92.7	-26.1	174.7	-51.5	-68	0	0	0	110.9	V385 K386 R391 K509 W595	V385-D425 HydrophobicContact CB-CB 4.07Å; V385-D425 HydrophobicContact CG1-CB 3.89Å; K386-D425 WeakPolarHBondContact CB-OD1 3.22Å; K386-D425 PolarHBondContact N-OD1 3.07Å; R391-D425 VanDerWaalsContact CB-OD2 3.29Å; R391-D425 WeakPolarHBondContact CB-OD2 3.33Å; R391-D425 WeakPolarHBondContact CG-OD2 3.42Å; R391-D425 IonicContact CZ-OD1 3.15Å; R391-D425 IonicContact CZ-OD2 3.66Å; R391-D425 PolarHBondContact N-OD2 3.14Å; R391-D425 IonicContact NE-OD1 2.64Å; R391-D425 IonicContact NE-OD2 2.65Å; R391-D425 PolarHBondContact NE-OD2 3.43Å; R391-D425 IonicContact NH2-OD1 2.64Å; R391-D425 PolarHBondContact NH2-OD1 3.48Å; R391-D425 IonicContact NH2-OD2 2.85Å; R391-D425 PolarHBondContact NH2-OD2 3.19Å; R391-D425 PolarHBondContact O-N 3.24Å; D425-K509 PolarHBondContact O-N 3.33Å; D425-W595 HydrophobicContact CB-CH2 4.17Å
426	Y	98.8	Very high	97.3	Very high	0 Å²	0	17 Å²	17	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	135.3	175.2	-163.5	-82.5	0	0	0	111.3	R391 I392 L393 C428 K509 A511 Y531 A587 E590 L594 W595	R391-Y426 PolarHBondContact O-N 3.06Å; R391-Y426 VanDerWaalsContact O-N 3.14Å; I392-Y426 CarbonylContact C-O 3.48Å; I392-Y426 WeakPolarHBondContact CA-O 3.46Å; I392-Y426 HydrophobicContact CG2-CD1 4.24Å; L393-Y426 PolarHBondContact N-O 3.43Å; Y426-C428 HydrophobicContact CD1-CB 4.27Å; Y426-C428 HydrophobicContact CE1-CB 3.74Å; Y426-K509 CarbonylContact C-O 3.48Å; Y426-K509 VanDerWaalsContact CA-O 3.28Å; Y426-K509 WeakPolarHBondContact CA-O 3.18Å; Y426-K509 HydrophobicContact CD2-CB 3.72Å; Y426-K509 HydrophobicContact CE2-CB 4.19Å; Y426-K509 HydrophobicContact CG-CB 4.49Å; Y426-A511 HydrophobicContact CE1-CB 4.32Å; Y426-A511 WeakPolarHBondContact OH-CB 3.31Å; Y426-Y531 AromaticContact CE2-CE1 3.66Å; Y426-Y531 HydrophobicContact CE2-CE1 3.66Å; Y426-Y531 AromaticContact CE2-CZ 3.71Å; Y426-Y531 WeakPolarHBondContact CE2-OH 3.16Å; Y426-Y531 PolarHBondContact OH-OH 3.21Å; Y426-A587 HydrophobicContact CD1-CB 4.15Å; Y426-A587 HydrophobicContact CE1-CB 3.92Å; Y426-E590 HydrophobicContact CE2-CB 3.96Å; Y426-E590 VanDerWaalsContact OH-CB 3.31Å; Y426-E590 WeakPolarHBondContact OH-CB 3.43Å; Y426-L594 HydrophobicContact CD2-CD1 3.66Å; Y426-L594 HydrophobicContact CE2-CD1 3.67Å; Y426-W595 HydrophobicContact CD2-CZ3 4.39Å
427	I	98.8	Very high	97.3	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	119.9	175	-55.8	-177.5	0	0	0	108.7	L393 I420 F424 P508 K509 V510 A511	L393-I427 HydrophobicContact CB-CG1 4.26Å; L393-I427 HydrophobicContact CB-CG2 4.45Å; L393-I427 HydrophobicContact CD2-CG1 4.48Å; L393-I427 HydrophobicContact CD2-CG2 4.16Å; L393-I427 HydrophobicContact CG-CG2 4.38Å; L393-I427 CarbonylContact O-C 3.59Å; L393-I427 WeakPolarHBondContact O-CA 3.3Å; I420-I427 HydrophobicContact CG2-CD1 4.26Å; F424-I427 HydrophobicContact CB-CG1 4.08Å; I427-P508 HydrophobicContact CD1-CG 3.7Å; I427-P508 HydrophobicContact CG1-CG 4.1Å; I427-K509 PolarHBondContact N-O 1.78Å; I427-V510 HydrophobicContact CB-CG2 4.4Å; I427-V510 CarbonylContact O-C 3.54Å; I427-V510 WeakPolarHBondContact O-CA 3.35Å; I427-A511 PolarHBondContact O-N 3.36Å
428	C	98.8	Very high	97.3	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	142.1	176.5	-144.2	0	0	0	0	111	L393 S394 I395 Y426 A511 P583 A587	L393-C428 PolarHBondContact O-N 3.1Å; S394-C428 WeakPolarHBondContact CA-O 3.45Å; I395-C428 PolarHBondContact N-O 3.27Å; Y426-C428 HydrophobicContact CD1-CB 4.27Å; Y426-C428 HydrophobicContact CE1-CB 3.74Å; C428-A511 WeakPolarHBondContact CA-O 3.43Å; C428-P583 HydrophobicContact CB-CB 4.45Å; C428-P583 HydrophobicContact CB-CG 4.5Å; C428-A587 HydrophobicContact CB-CB 3.51Å
429	G	98.4	Very high	97.3	Very high	1 Å²	1	8.9 Å²	8.9	1%	0.01	5%	0.049	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	156.2	175.2	0	0	0	0	0	114.2	I395 A511 A512 V513	I395-G429 WeakPolarHBondContact O-CA 3.44Å; G429-A511 PolarHBondContact N-O 3.05Å; G429-A512 WeakPolarHBondContact O-CA 3.14Å; G429-V513 PolarHBondContact O-N 2.87Å
430	V	97.6	Very high	97.3	Very high	0 Å²	0	7.2 Å²	7.2	0%	0	4%	0.037	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	132.6	171.5	166.7	0	0	0	0	108	I395 G397 T432 G433 V513 G577 I580 P583	I395-V430 PolarHBondContact O-N 3.03Å; G397-V430 WeakPolarHBondContact CA-O 3.47Å; V430-T432 PolarHBondContact O-N 3.4Å; V430-G433 WeakPolarHBondContact O-CA 3.46Å; V430-G433 PolarHBondContact O-N 2.93Å; V430-V513 HydrophobicContact CG2-CB 3.85Å; V430-V513 HydrophobicContact CG2-CG2 4.34Å; V430-G577 VanDerWaalsContact CG1-N 3.25Å; V430-I580 WeakPolarHBondContact CG2-O 3.34Å; V430-P583 HydrophobicContact CB-CG 4.35Å; V430-P583 HydrophobicContact CG2-CB 3.71Å; V430-P583 HydrophobicContact CG2-CG 3.63Å
431	S	95.1	Very high	97.3	Very high	8 Å²	8	7.1 Å²	7.1	6%	0.056	4%	0.037	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.6	-125.8	176.7	-165.3	0	0	0	0	111.8	G433 A434 V435 T556 D575	S431-G433 PolarHBondContact O-N 3.38Å; S431-A434 WeakPolarHBondContact O-CB 3.34Å; S431-A434 PolarHBondContact O-N 3.32Å; S431-V435 PolarHBondContact O-N 3.38Å; S431-V435 VanDerWaalsContact O-N 3.08Å; S431-T556 VanDerWaalsContact CA-O 3.28Å; S431-T556 WeakPolarHBondContact CA-O 3.3Å; S431-T556 PolarHBondContact N-O 3.45Å; S431-T556 PolarHBondContact N-OG1 2.99Å; S431-D575 WeakPolarHBondContact CB-OD1 3.25Å; S431-D575 WeakPolarHBondContact CB-OD2 3.44Å; S431-D575 PolarHBondContact OG-OD2 3.25Å
432	T	94.4	Very high	97.2	Very high	12 Å²	12	7 Å²	7	7%	0.074	4%	0.038	C	C	.	.	H	α-helix	trans	-45.7	-39.1	166.8	-94.7	0	0	0	0	114.5	G399 V430 A434 V435 I436 Y454	G399-T432 WeakPolarHBondContact O-CG2 3.28Å; G399-T432 PolarHBondContact O-OG1 3.49Å; V430-T432 PolarHBondContact O-N 3.4Å; T432-A434 VanDerWaalsContact C-N 3.27Å; T432-A434 PolarHBondContact O-N 2.93Å; T432-V435 WeakPolarHBondContact O-CB 3.3Å; T432-V435 PolarHBondContact O-N 2.91Å; T432-I436 HydrophobicContact CG2-CD1 3.83Å; T432-I436 WeakPolarHBondContact O-CG1 3.41Å; T432-I436 PolarHBondContact O-N 2.69Å; T432-Y454 WeakPolarHBondContact CB-OH 3.42Å; T432-Y454 HydrophobicContact CG2-CE2 4.13Å; T432-Y454 WeakPolarHBondContact CG2-OH 3.41Å; T432-Y454 PolarHBondContact OG1-OH 2.97Å
433	G	97.3	Very high	97.1	Very high	0 Å²	0	7 Å²	7	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-64.2	-32.6	177.5	0	0	0	0	0	112.9	I395 D396 V430 S431 G437	I395-G433 VanDerWaalsContact CG2-CA 3.47Å; D396-G433 PolarHBondContact O-N 3.06Å; V430-G433 WeakPolarHBondContact O-CA 3.46Å; V430-G433 PolarHBondContact O-N 2.93Å; S431-G433 PolarHBondContact O-N 3.38Å; G433-G437 PolarHBondContact O-N 2.75Å
434	A	97.3	Very high	97	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-74.4	-40.2	172	0	0	0	0	0	112	S431 T432 I436 G437 F438 A512 T556	S431-A434 WeakPolarHBondContact O-CB 3.34Å; S431-A434 PolarHBondContact O-N 3.32Å; T432-A434 VanDerWaalsContact C-N 3.27Å; T432-A434 PolarHBondContact O-N 2.93Å; A434-I436 VanDerWaalsContact C-N 3.32Å; A434-I436 PolarHBondContact O-N 2.9Å; A434-G437 PolarHBondContact O-N 2.66Å; A434-F438 WeakPolarHBondContact O-CB 3.06Å; A434-F438 VanDerWaalsContact O-CD2 3.25Å; A434-F438 WeakPolarHBondContact O-CD2 3.43Å; A434-F438 PolarHBondContact O-N 2.68Å; A434-A512 HydrophobicContact CB-CB 3.63Å; A434-T556 HydrophobicContact CB-CG2 3.53Å
435	V	95.8	Very high	96.8	Very high	10 Å²	10	10.6 Å²	10.6	6%	0.061	6%	0.057	C	C	.	.	H	α-helix	trans	-53.7	-49.3	173.2	171.8	0	0	0	0	110.6	S431 T432 M439 Y454 W485 I553	S431-V435 PolarHBondContact O-N 3.38Å; S431-V435 VanDerWaalsContact O-N 3.08Å; T432-V435 WeakPolarHBondContact O-CB 3.3Å; T432-V435 PolarHBondContact O-N 2.91Å; V435-M439 HydrophobicContact CG1-CE 3.56Å; V435-M439 WeakPolarHBondContact O-CE 3.4Å; V435-M439 PolarHBondContact O-N 2.83Å; V435-Y454 HydrophobicContact CG1-CD2 4.15Å; V435-Y454 HydrophobicContact CG1-CE2 4.28Å; V435-W485 HydrophobicContact CG2-CH2 4.42Å; V435-W485 HydrophobicContact CG2-CZ2 4.23Å; V435-I553 HydrophobicContact CG2-CG2 3.52Å
436	I	97.2	Very high	96.6	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-67.5	-47.7	176.8	-66.1	163.5	0	0	0	111.1	I395 L406 L409 T432 A434 F438 M439 L440 Y454	I395-I436 HydrophobicContact CD1-CB 4.27Å; I395-I436 HydrophobicContact CD1-CG2 3.8Å; L406-I436 HydrophobicContact CD1-CD1 4.1Å; L406-I436 HydrophobicContact CD1-CG1 4.34Å; L406-I436 HydrophobicContact CD2-CG1 4.43Å; L406-I436 HydrophobicContact CD2-CG2 3.89Å; L406-I436 HydrophobicContact CG-CD1 4.03Å; L406-I436 HydrophobicContact CG-CG1 4.36Å; L406-I436 HydrophobicContact CG-CG2 4.4Å; L409-I436 HydrophobicContact CD1-CG2 4.1Å; T432-I436 HydrophobicContact CG2-CD1 3.83Å; T432-I436 WeakPolarHBondContact O-CG1 3.41Å; T432-I436 PolarHBondContact O-N 2.69Å; A434-I436 VanDerWaalsContact C-N 3.32Å; A434-I436 PolarHBondContact O-N 2.9Å; I436-F438 VanDerWaalsContact C-N 3.3Å; I436-F438 PolarHBondContact O-N 3.28Å; I436-M439 PolarHBondContact O-N 2.64Å; I436-L440 HydrophobicContact CG2-CD1 3.62Å; I436-L440 HydrophobicContact CG2-CG 4.31Å; I436-L440 WeakPolarHBondContact O-CG 3.46Å; I436-L440 PolarHBondContact O-N 2.8Å; I436-Y454 HydrophobicContact CD1-CE2 4.34Å; I436-Y454 HydrophobicContact CG1-CD2 4.24Å; I436-Y454 HydrophobicContact CG1-CE2 4.25Å
437	G	97.3	Very high	96.5	Very high	2 Å²	2	13.6 Å²	13.6	2%	0.021	8%	0.077	C	C	.	.	H	α-helix	trans	-60.4	-35.1	-178.9	0	0	0	0	0	113.9	G433 A434 G441	G433-G437 PolarHBondContact O-N 2.75Å; A434-G437 PolarHBondContact O-N 2.66Å; G437-G441 WeakPolarHBondContact O-CA 3.28Å; G437-G441 PolarHBondContact O-N 2.85Å
438	F	96.9	Very high	96.3	Very high	1 Å²	1	20 Å²	20	0%	0.004	10%	0.104	C	C	.	.	H	α-helix	trans	-74.3	-43.6	175.3	-84.3	-126.3	0	0	0	111.7	A434 I436 L440 V442 I443 L498 V510 A512 L549 A552 I553	A434-F438 WeakPolarHBondContact O-CB 3.06Å; A434-F438 VanDerWaalsContact O-CD2 3.25Å; A434-F438 WeakPolarHBondContact O-CD2 3.43Å; A434-F438 PolarHBondContact O-N 2.68Å; I436-F438 VanDerWaalsContact C-N 3.3Å; I436-F438 PolarHBondContact O-N 3.28Å; F438-L440 VanDerWaalsContact C-N 3.33Å; F438-L440 PolarHBondContact O-N 3.37Å; F438-V442 HydrophobicContact CD1-CG2 4.4Å; F438-V442 WeakPolarHBondContact O-CA 3.36Å; F438-V442 VanDerWaalsContact O-CB 3.31Å; F438-V442 WeakPolarHBondContact O-CB 3.48Å; F438-V442 PolarHBondContact O-N 2.95Å; F438-I443 PolarHBondContact O-N 3.5Å; F438-L498 HydrophobicContact CE1-CD2 3.64Å; F438-L498 HydrophobicContact CZ-CD2 3.68Å; F438-V510 HydrophobicContact CD2-CG1 3.58Å; F438-V510 HydrophobicContact CE2-CG1 3.58Å; F438-V510 HydrophobicContact CG-CG1 4.34Å; F438-V510 HydrophobicContact CZ-CG1 4.34Å; F438-A512 HydrophobicContact CE2-CB 3.69Å; F438-A512 HydrophobicContact CZ-CB 3.97Å; F438-L549 HydrophobicContact CD1-CD2 4.12Å; F438-L549 HydrophobicContact CE1-CD2 3.83Å; F438-A552 HydrophobicContact CE1-CB 4.19Å; F438-A552 HydrophobicContact CZ-CB 4.14Å; F438-I553 HydrophobicContact CB-CD1 3.9Å; F438-I553 HydrophobicContact CD1-CD1 3.85Å; F438-I553 HydrophobicContact CD1-CG1 4.04Å; F438-I553 HydrophobicContact CE1-CG1 4.42Å; F438-I553 HydrophobicContact CG-CD1 4Å; F438-I553 HydrophobicContact CG-CG1 4.2Å
439	M	96.1	Very high	96.1	Very high	7 Å²	7	24.8 Å²	24.8	3%	0.034	13%	0.127	C	C	.	.	I	π-helix	trans	-57.6	-45	175.4	-83.5	-172.8	-74.8	0	0	112.1	V435 I436 I443 Q444 I445 L453 Y454 L457	V435-M439 HydrophobicContact CG1-CE 3.56Å; V435-M439 WeakPolarHBondContact O-CE 3.4Å; V435-M439 PolarHBondContact O-N 2.83Å; I436-M439 PolarHBondContact O-N 2.64Å; M439-I443 HydrophobicContact CG-CD1 4.12Å; M439-I443 CarbonylContact O-C 3.56Å; M439-Q444 PolarHBondContact O-N 3.05Å; M439-I445 HydrophobicContact CB-CD1 4Å; M439-I445 HydrophobicContact CB-CG1 4.14Å; M439-I445 HydrophobicContact CG-CD1 4.1Å; M439-I445 PolarHBondContact O-N 2.84Å; M439-I445 HydrophobicContact SD-CD1 3.95Å; M439-L453 HydrophobicContact SD-CD2 3.69Å; M439-L453 HydrophobicContact SD-CG 4.11Å; M439-Y454 HydrophobicContact CE-CD2 4.31Å; M439-L457 HydrophobicContact CE-CD1 4.44Å; M439-L457 HydrophobicContact SD-CD1 4.47Å
440	L	97.3	Very high	95.9	Very high	3 Å²	3	24.7 Å²	24.7	2%	0.016	13%	0.126	C	C	.	.	I	π-helix	trans	-83.1	-33.4	-175.7	-59.6	177	0	0	0	113.8	L406 L409 I420 I436 F438 I445 V447 C450	L406-L440 HydrophobicContact CD2-CD1 4.49Å; L409-L440 HydrophobicContact CD1-CD1 3.64Å; I420-L440 HydrophobicContact CB-CB 4.28Å; I420-L440 HydrophobicContact CG1-CD1 4.28Å; I420-L440 HydrophobicContact CG2-CB 4.27Å; I436-L440 HydrophobicContact CG2-CD1 3.62Å; I436-L440 HydrophobicContact CG2-CG 4.31Å; I436-L440 WeakPolarHBondContact O-CG 3.46Å; I436-L440 PolarHBondContact O-N 2.8Å; F438-L440 VanDerWaalsContact C-N 3.33Å; F438-L440 PolarHBondContact O-N 3.37Å; L440-I445 WeakPolarHBondContact CD2-O 3.26Å; L440-V447 HydrophobicContact CD1-CG2 3.92Å; L440-V447 HydrophobicContact CD2-CB 4.34Å; L440-V447 HydrophobicContact CD2-CG2 3.66Å; L440-V447 HydrophobicContact CG-CG2 4.44Å; L440-C450 HydrophobicContact CD2-CB 3.6Å; L440-C450 HydrophobicContact CG-CB 4.42Å
441	G	96.7	Very high	95.7	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.129	C	C	.	.	I	π-helix	trans	-91.3	-41.2	-177.4	0	0	0	0	0	114.7	G437 Q444 C507 P508	G437-G441 WeakPolarHBondContact O-CA 3.28Å; G437-G441 PolarHBondContact O-N 2.85Å; G441-Q444 WeakPolarHBondContact O-CG 3.31Å; G441-C507 PolarHBondContact O-SG 2.96Å; G441-P508 WeakPolarHBondContact O-CD 3.35Å
442	V	96	Very high	95.5	Very high	23 Å²	23	28.4 Å²	28.4	14%	0.139	15%	0.146	C	C	.	.	I	π-helix	trans	-98.2	-51.4	-174.7	176.5	0	0	0	0	111.8	F438 Q444 T501 V510 L549	F438-V442 HydrophobicContact CD1-CG2 4.4Å; F438-V442 WeakPolarHBondContact O-CA 3.36Å; F438-V442 VanDerWaalsContact O-CB 3.31Å; F438-V442 WeakPolarHBondContact O-CB 3.48Å; F438-V442 PolarHBondContact O-N 2.95Å; V442-Q444 VanDerWaalsContact C-N 3.34Å; V442-T501 HydrophobicContact CB-CG2 4.48Å; V442-T501 HydrophobicContact CG1-CG2 3.37Å; V442-T501 HydrophobicContact CG2-CG2 4.33Å; V442-V510 HydrophobicContact CG2-CB 4.1Å; V442-V510 HydrophobicContact CG2-CG1 4.21Å; V442-V510 HydrophobicContact CG2-CG2 3.92Å; V442-L549 HydrophobicContact CG1-CD1 3.88Å; V442-L549 HydrophobicContact CG1-CD2 4.36Å
443	I	94.6	Very high	95.3	Very high	68 Å²	68	29.5 Å²	29.5	35%	0.349	15%	0.151	S	C	.	.	I	π-helix	trans	-80.2	-22.7	-179.8	-41.2	-177.4	0	0	0	110.8	F438 M439 I445 V493	F438-I443 PolarHBondContact O-N 3.5Å; M439-I443 HydrophobicContact CG-CD1 4.12Å; M439-I443 CarbonylContact O-C 3.56Å; I443-I445 VanDerWaalsContact C-N 3.26Å; I443-I445 HydrophobicContact CG2-CG2 4.02Å; I443-I445 PolarHBondContact O-N 3.17Å; I443-V493 HydrophobicContact CD1-CB 4.48Å; I443-V493 HydrophobicContact CD1-CG1 4.2Å; I443-V493 HydrophobicContact CD1-CG2 4.39Å
444	Q	95.4	Very high	95	Very high	50 Å²	50	29.8 Å²	29.8	23%	0.234	15%	0.152	C	C	.	.			trans	62	27	173.5	-59	-175	-33.9	0	0	114.5	H421 M439 G441 V442 N504 D506	H421-Q444 HydrophobicContact CB-CG 4.27Å; H421-Q444 PolarHBondContact CD2-NE2 3.37Å; M439-Q444 PolarHBondContact O-N 3.05Å; G441-Q444 WeakPolarHBondContact O-CG 3.31Å; V442-Q444 VanDerWaalsContact C-N 3.34Å; Q444-N504 PolarHBondContact OE1-ND2 3.42Å; Q444-D506 VanDerWaalsContact NE2-C 3.32Å; Q444-D506 PolarHBondContact NE2-O 3Å
445	I	94.3	Very high	94.6	Very high	28 Å²	28	31 Å²	31	14%	0.144	16%	0.157	C	C	.	.			trans	-69.2	147.2	172.7	64	174.9	0	0	0	111.2	M439 L440 I443 C450 L453	M439-I445 HydrophobicContact CB-CD1 4Å; M439-I445 HydrophobicContact CB-CG1 4.14Å; M439-I445 HydrophobicContact CG-CD1 4.1Å; M439-I445 PolarHBondContact O-N 2.84Å; M439-I445 HydrophobicContact SD-CD1 3.95Å; L440-I445 WeakPolarHBondContact CD2-O 3.26Å; I443-I445 VanDerWaalsContact C-N 3.26Å; I443-I445 HydrophobicContact CG2-CG2 4.02Å; I443-I445 PolarHBondContact O-N 3.17Å; I445-C450 HydrophobicContact CD1-CB 3.93Å; I445-C450 HydrophobicContact CG1-CB 4.11Å; I445-L453 HydrophobicContact CD1-CD2 4.04Å
446	P	94.7	Very high	94.2	Very high	72 Å²	72	37.1 Å²	37.1	47%	0.468	18%	0.179	S	C	.	.			trans	-60.8	149.1	176.4	-22.4	33.5	0	0	0	112.5	K448 E449 C450	P446-K448 PolarHBondContact O-N 2.95Å; P446-K448 VanDerWaalsContact O-N 3.11Å; P446-E449 PolarHBondContact O-N 2.98Å; P446-C450 PolarHBondContact O-N 3.09Å
447	V	96.1	Very high	93.6	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.006	18%	0.182	C	C	.	.	H	α-helix	trans	-58.8	-32.2	-176	174.5	0	0	0	0	113.2	L406 L409 Q410 E413 I420 L440 C450 D451	L406-V447 HydrophobicContact CD2-CG1 3.98Å; L409-V447 HydrophobicContact CB-CG1 4.1Å; L409-V447 HydrophobicContact CB-CG2 4.02Å; Q410-V447 HydrophobicContact CB-CG1 3.81Å; E413-V447 HydrophobicContact CG-CG2 4Å; E413-V447 WeakPolarHBondContact OE1-CG2 3.38Å; E413-V447 VanDerWaalsContact OE2-CB 3.31Å; E413-V447 WeakPolarHBondContact OE2-CB 3.37Å; E413-V447 VanDerWaalsContact OE2-CG2 3.28Å; E413-V447 WeakPolarHBondContact OE2-CG2 3.39Å; E413-V447 PolarHBondContact OE2-N 3.32Å; I420-V447 HydrophobicContact CD1-CG2 4.36Å; I420-V447 HydrophobicContact CG1-CG2 3.59Å; L440-V447 HydrophobicContact CD1-CG2 3.92Å; L440-V447 HydrophobicContact CD2-CB 4.34Å; L440-V447 HydrophobicContact CD2-CG2 3.66Å; L440-V447 HydrophobicContact CG-CG2 4.44Å; V447-C450 WeakPolarHBondContact O-CB 3.28Å; V447-C450 PolarHBondContact O-N 3.34Å; V447-D451 PolarHBondContact O-N 2.86Å
448	K	94.2	Very high	92.8	Very high	133 Å²	133	37.9 Å²	37.9	58%	0.578	18%	0.183	S	C	*	.	H	α-helix	trans	-63.6	-47.4	174.5	-172.7	-175.3	173.9	-172.5	0	112.2	P446 C450 D451 D452	P446-K448 PolarHBondContact O-N 2.95Å; P446-K448 VanDerWaalsContact O-N 3.11Å; K448-C450 VanDerWaalsContact C-N 3.25Å; K448-C450 PolarHBondContact O-N 3.3Å; K448-D451 PolarHBondContact O-N 2.76Å; K448-D452 PolarHBondContact O-N 2.77Å
449	E	94.6	Very high	92	Very high	101 Å²	101	39.7 Å²	39.7	47%	0.472	20%	0.195	S	C	.	.	H	α-helix	trans	-66.1	-33.3	177.4	-175.4	171.2	-172.4	0	0	111.1	P446 D452 L453	P446-E449 PolarHBondContact O-N 2.98Å; E449-D452 PolarHBondContact O-N 3.45Å; E449-L453 WeakPolarHBondContact O-CB 3.27Å; E449-L453 PolarHBondContact O-N 3.08Å
450	C	94.8	Very high	91.2	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-61.7	-41.2	171.1	-168.9	0	0	0	0	112.6	L406 L440 I445 P446 V447 K448 Y454	L406-C450 HydrophobicContact CD2-CB 4.14Å; L440-C450 HydrophobicContact CD2-CB 3.6Å; L440-C450 HydrophobicContact CG-CB 4.42Å; I445-C450 HydrophobicContact CD1-CB 3.93Å; I445-C450 HydrophobicContact CG1-CB 4.11Å; P446-C450 PolarHBondContact O-N 3.09Å; V447-C450 WeakPolarHBondContact O-CB 3.28Å; V447-C450 PolarHBondContact O-N 3.34Å; K448-C450 VanDerWaalsContact C-N 3.25Å; K448-C450 PolarHBondContact O-N 3.3Å; C450-Y454 WeakPolarHBondContact O-CB 3.28Å; C450-Y454 PolarHBondContact O-N 2.91Å
451	D	93.3	Very high	90.1	Very high	12 Å²	12	43.9 Å²	43.9	6%	0.064	22%	0.218	C	C	.	.	H	α-helix	trans	-67.7	-45.6	175.1	-168.8	33.2	0	0	0	111.4	L406 V447 K448 L453 Y454 R455	L406-D451 HydrophobicContact CD1-CB 4.21Å; V447-D451 PolarHBondContact O-N 2.86Å; K448-D451 PolarHBondContact O-N 2.76Å; D451-L453 VanDerWaalsContact C-N 3.33Å; D451-L453 PolarHBondContact O-N 2.63Å; D451-Y454 PolarHBondContact O-N 2.91Å; D451-R455 WeakPolarHBondContact O-CB 2.99Å; D451-R455 VanDerWaalsContact O-CG 3.28Å; D451-R455 WeakPolarHBondContact O-CG 3.34Å; D451-R455 PolarHBondContact O-N 3.31Å; D451-R455 IonicContact OD1-CZ 3.44Å; D451-R455 IonicContact OD1-NE 3.69Å; D451-R455 PolarHBondContact OD1-NE 3.43Å; D451-R455 IonicContact OD1-NH2 2.86Å; D451-R455 PolarHBondContact OD1-NH2 2.83Å; D451-R455 IonicContact OD2-CZ 3.25Å; D451-R455 IonicContact OD2-NE 2.81Å; D451-R455 PolarHBondContact OD2-NE 2.96Å; D451-R455 VanDerWaalsContact OD2-NE 3.16Å; D451-R455 IonicContact OD2-NH2 2.69Å; D451-R455 PolarHBondContact OD2-NH2 3.35Å
452	D	92.3	Very high	88.9	Confident	74 Å²	74	45.3 Å²	45.3	40%	0.396	23%	0.225	S	C	.	.	H	α-helix	trans	-60.7	-39.8	176.5	-72	-36.1	0	0	0	111.9	K448 E449 R456	K448-D452 PolarHBondContact O-N 2.77Å; E449-D452 PolarHBondContact O-N 3.45Å; D452-R456 WeakPolarHBondContact O-CG 3.19Å; D452-R456 PolarHBondContact O-N 3.16Å; D452-R456 PolarHBondContact O-NE 2.96Å; D452-R456 PolarHBondContact O-NH2 3.05Å
453	L	90.3	Very high	87.5	Confident	34 Å²	34	50.5 Å²	50.5	18%	0.178	25%	0.246	C	C	.	.	H	α-helix	trans	-73	-45.7	175.6	178.7	56.1	0	0	0	111.6	M439 I445 E449 D451 R455 R456 L457	M439-L453 HydrophobicContact SD-CD2 3.69Å; M439-L453 HydrophobicContact SD-CG 4.11Å; I445-L453 HydrophobicContact CD1-CD2 4.04Å; E449-L453 WeakPolarHBondContact O-CB 3.27Å; E449-L453 PolarHBondContact O-N 3.08Å; D451-L453 VanDerWaalsContact C-N 3.33Å; D451-L453 PolarHBondContact O-N 2.63Å; L453-R455 VanDerWaalsContact C-N 3.33Å; L453-R455 PolarHBondContact O-N 3.04Å; L453-R456 WeakPolarHBondContact O-CB 3.21Å; L453-R456 PolarHBondContact O-N 2.77Å; L453-R456 VanDerWaalsContact O-N 3.1Å; L453-L457 HydrophobicContact CD1-CD1 4.33Å; L453-L457 HydrophobicContact CD1-CD2 4.45Å; L453-L457 HydrophobicContact CD1-CG 4.06Å; L453-L457 HydrophobicContact CG-CD1 4.02Å; L453-L457 HydrophobicContact CG-CG 4.24Å; L453-L457 WeakPolarHBondContact O-CG 3.42Å; L453-L457 PolarHBondContact O-N 2.96Å
454	Y	90.7	Very high	85.6	Confident	7 Å²	7	50.7 Å²	50.7	3%	0.027	25%	0.245	C	C	.	.	H	α-helix	trans	-60.2	-39.8	-179	179.8	-103.3	0	0	0	112.6	G399 L400 V403 L406 T432 V435 I436 M439 C450 D451 L457 G458	G399-Y454 PolarHBondContact O-OH 3.46Å; L400-Y454 VanDerWaalsContact CA-OH 3.3Å; L400-Y454 WeakPolarHBondContact CA-OH 3.5Å; L400-Y454 HydrophobicContact CD2-CE1 4.02Å; V403-Y454 HydrophobicContact CG1-CD1 4.22Å; V403-Y454 HydrophobicContact CG1-CE1 4.19Å; L406-Y454 HydrophobicContact CD1-CD1 3.83Å; L406-Y454 HydrophobicContact CD1-CE1 4.47Å; L406-Y454 HydrophobicContact CD1-CG 4.1Å; T432-Y454 WeakPolarHBondContact CB-OH 3.42Å; T432-Y454 HydrophobicContact CG2-CE2 4.13Å; T432-Y454 WeakPolarHBondContact CG2-OH 3.41Å; T432-Y454 PolarHBondContact OG1-OH 2.97Å; V435-Y454 HydrophobicContact CG1-CD2 4.15Å; V435-Y454 HydrophobicContact CG1-CE2 4.28Å; I436-Y454 HydrophobicContact CD1-CE2 4.34Å; I436-Y454 HydrophobicContact CG1-CD2 4.24Å; I436-Y454 HydrophobicContact CG1-CE2 4.25Å; M439-Y454 HydrophobicContact CE-CD2 4.31Å; C450-Y454 WeakPolarHBondContact O-CB 3.28Å; C450-Y454 PolarHBondContact O-N 2.91Å; D451-Y454 PolarHBondContact O-N 2.91Å; Y454-L457 PolarHBondContact O-N 3.28Å; Y454-G458 PolarHBondContact O-N 3.24Å
455	R	89.4	Confident	83.2	Confident	26 Å²	26	54.7 Å²	54.7	10%	0.098	27%	0.268	C	S	.	.	H	α-helix	trans	-67.6	-36	174.2	-67.9	170.9	-172.6	-130.5	17.1	113.1	V403 D451 L453 S459 L675 N676 Q679	V403-R455 HydrophobicContact CG1-CG 4.39Å; D451-R455 WeakPolarHBondContact O-CB 2.99Å; D451-R455 VanDerWaalsContact O-CG 3.28Å; D451-R455 WeakPolarHBondContact O-CG 3.34Å; D451-R455 PolarHBondContact O-N 3.31Å; D451-R455 IonicContact OD1-CZ 3.44Å; D451-R455 IonicContact OD1-NE 3.69Å; D451-R455 PolarHBondContact OD1-NE 3.43Å; D451-R455 IonicContact OD1-NH2 2.86Å; D451-R455 PolarHBondContact OD1-NH2 2.83Å; D451-R455 IonicContact OD2-CZ 3.25Å; D451-R455 IonicContact OD2-NE 2.81Å; D451-R455 PolarHBondContact OD2-NE 2.96Å; D451-R455 VanDerWaalsContact OD2-NE 3.16Å; D451-R455 IonicContact OD2-NH2 2.69Å; D451-R455 PolarHBondContact OD2-NH2 3.35Å; L453-R455 VanDerWaalsContact C-N 3.33Å; L453-R455 PolarHBondContact O-N 3.04Å; R455-S459 WeakPolarHBondContact O-CB 3.45Å; R455-S459 PolarHBondContact O-N 2.94Å; R455-S459 PolarHBondContact O-OG 3.41Å; R455-L675 HydrophobicContact CG-CD1 4.4Å; R455-N676 PolarHBondContact NH1-OD1 3.24Å; R455-Q679 VanDerWaalsContact NH2-CD 3.27Å
456	R	87.1	Confident	80.9	Confident	138 Å²	138	58.7 Å²	58.7	52%	0.521	29%	0.293	S	S	.	.	H	α-helix	trans	-66.9	-48.3	173	-78	176.4	-75.9	175.1	-0.4	110.8	D452 L453 G458 S459 D460	D452-R456 WeakPolarHBondContact O-CG 3.19Å; D452-R456 PolarHBondContact O-N 3.16Å; D452-R456 PolarHBondContact O-NE 2.96Å; D452-R456 PolarHBondContact O-NH2 3.05Å; L453-R456 WeakPolarHBondContact O-CB 3.21Å; L453-R456 PolarHBondContact O-N 2.77Å; L453-R456 VanDerWaalsContact O-N 3.1Å; R456-G458 VanDerWaalsContact C-N 3.34Å; R456-G458 PolarHBondContact O-N 2.85Å; R456-S459 CarbonylContact O-C 3.45Å; R456-S459 WeakPolarHBondContact O-CA 3.25Å; R456-S459 WeakPolarHBondContact O-CB 3.38Å; R456-S459 PolarHBondContact O-N 2.85Å; R456-S459 VanDerWaalsContact O-N 3.07Å; R456-D460 WeakPolarHBondContact O-CB 3.38Å; R456-D460 VanDerWaalsContact O-CG 3.3Å; R456-D460 PolarHBondContact O-N 2.88Å
457	L	83.4	Confident	78.5	Confident	15 Å²	15	62.2 Å²	62.2	8%	0.079	31%	0.307	C	S	.	.	H	α-helix	trans	-53.9	-48.2	173.1	-69.3	174.1	0	0	0	111.8	M439 L453 Y454 S459 D460 V461 W485 I488 K492	M439-L457 HydrophobicContact CE-CD1 4.44Å; M439-L457 HydrophobicContact SD-CD1 4.47Å; L453-L457 HydrophobicContact CD1-CD1 4.33Å; L453-L457 HydrophobicContact CD1-CD2 4.45Å; L453-L457 HydrophobicContact CD1-CG 4.06Å; L453-L457 HydrophobicContact CG-CD1 4.02Å; L453-L457 HydrophobicContact CG-CG 4.24Å; L453-L457 WeakPolarHBondContact O-CG 3.42Å; L453-L457 PolarHBondContact O-N 2.96Å; Y454-L457 PolarHBondContact O-N 3.28Å; L457-S459 VanDerWaalsContact C-N 3.35Å; L457-S459 PolarHBondContact O-N 3.1Å; L457-D460 PolarHBondContact O-N 2.8Å; L457-V461 VanDerWaalsContact O-CB 3.3Å; L457-V461 WeakPolarHBondContact O-CB 3.32Å; L457-V461 WeakPolarHBondContact O-CG2 3.45Å; L457-V461 PolarHBondContact O-N 3.05Å; L457-W485 HydrophobicContact CD2-CZ3 4.43Å; L457-I488 HydrophobicContact CD2-CG2 3.3Å; L457-K492 HydrophobicContact CD2-CG 4.22Å
458	G	80.8	Confident	76.1	Confident	3 Å²	3	66.4 Å²	66.4	3%	0.031	33%	0.328	C	S	.	.	H	α-helix	trans	-58.6	-45	174.8	0	0	0	0	0	113.1	Y454 R456 D460 F462	Y454-G458 PolarHBondContact O-N 3.24Å; R456-G458 VanDerWaalsContact C-N 3.34Å; R456-G458 PolarHBondContact O-N 2.85Å; G458-D460 VanDerWaalsContact C-N 3.33Å; G458-D460 PolarHBondContact O-N 3.21Å; G458-F462 WeakPolarHBondContact O-CB 3.49Å; G458-F462 WeakPolarHBondContact O-CD2 3.43Å; G458-F462 PolarHBondContact O-N 3.38Å; G458-F462 VanDerWaalsContact O-N 3.08Å
459	S	81.1	Confident	73.7	Confident	38 Å²	38	60.2 Å²	60.2	27%	0.266	30%	0.302	S	S	.	.	H	α-helix	trans	-61.3	-40.1	175.2	-57.1	0	0	0	0	112.2	R455 R456 L457 K463	R455-S459 WeakPolarHBondContact O-CB 3.45Å; R455-S459 PolarHBondContact O-N 2.94Å; R455-S459 PolarHBondContact O-OG 3.41Å; R456-S459 CarbonylContact O-C 3.45Å; R456-S459 WeakPolarHBondContact O-CA 3.25Å; R456-S459 WeakPolarHBondContact O-CB 3.38Å; R456-S459 PolarHBondContact O-N 2.85Å; R456-S459 VanDerWaalsContact O-N 3.07Å; L457-S459 VanDerWaalsContact C-N 3.35Å; L457-S459 PolarHBondContact O-N 3.1Å; S459-K463 WeakPolarHBondContact O-CB 3.31Å; S459-K463 WeakPolarHBondContact O-CD 3.48Å; S459-K463 WeakPolarHBondContact O-CE 3.49Å; S459-K463 WeakPolarHBondContact O-CG 3.27Å; S459-K463 PolarHBondContact O-N 3.08Å
460	D	78.6	Confident	71.7	Confident	80 Å²	80	60.1 Å²	60.1	43%	0.428	31%	0.309	S	S	.	.	H	α-helix	trans	-82	-32.1	-174.4	-65.1	-30	0	0	0	113	R456 L457 G458 K463 I488	R456-D460 WeakPolarHBondContact O-CB 3.38Å; R456-D460 VanDerWaalsContact O-CG 3.3Å; R456-D460 PolarHBondContact O-N 2.88Å; L457-D460 PolarHBondContact O-N 2.8Å; G458-D460 VanDerWaalsContact C-N 3.33Å; G458-D460 PolarHBondContact O-N 3.21Å; D460-K463 IonicContact OD1-NZ 3.59Å; D460-K463 PolarHBondContact OD1-NZ 2.97Å; D460-I488 HydrophobicContact CB-CD1 4.37Å
461	V	75	Confident	69.6	Low	18 Å²	18	64.5 Å²	64.5	11%	0.109	34%	0.335	C	S	.	.	H	α-helix	trans	-78.7	-37.7	178.1	173.5	0	0	0	0	112.2	L457 W485 I488 F563	L457-V461 VanDerWaalsContact O-CB 3.3Å; L457-V461 WeakPolarHBondContact O-CB 3.32Å; L457-V461 WeakPolarHBondContact O-CG2 3.45Å; L457-V461 PolarHBondContact O-N 3.05Å; V461-W485 HydrophobicContact CG2-CD2 4.08Å; V461-W485 HydrophobicContact CG2-CE3 3.32Å; V461-W485 HydrophobicContact CG2-CZ3 3.71Å; V461-I488 HydrophobicContact CG2-CD1 4Å; V461-F563 HydrophobicContact CG1-CE1 3.71Å; V461-F563 HydrophobicContact CG1-CZ 3.52Å
462	F	71.2	Confident	67.5	Low	30 Å²	30	67.1 Å²	67.1	13%	0.132	35%	0.346	C	S	.	.	S	Bend	trans	-92.9	5	-179.4	-56.8	-60.4	0	0	0	113.9	L400 G458 Q464 Y480 F563 D668	L400-F462 HydrophobicContact CD1-CD2 3.73Å; L400-F462 HydrophobicContact CD1-CE2 3.91Å; L400-F462 HydrophobicContact CD2-CD2 4.49Å; L400-F462 HydrophobicContact CD2-CE2 3.97Å; L400-F462 HydrophobicContact CG-CD2 4.1Å; L400-F462 HydrophobicContact CG-CE2 3.73Å; G458-F462 WeakPolarHBondContact O-CB 3.49Å; G458-F462 WeakPolarHBondContact O-CD2 3.43Å; G458-F462 PolarHBondContact O-N 3.38Å; G458-F462 VanDerWaalsContact O-N 3.08Å; F462-Q464 PolarHBondContact O-N 3.21Å; F462-Y480 HydrophobicContact CB-CD1 4.47Å; F462-Y480 HydrophobicContact CB-CE1 3.88Å; F462-Y480 AromaticContact CD1-CD1 3.8Å; F462-Y480 HydrophobicContact CD1-CD1 3.8Å; F462-Y480 AromaticContact CD1-CD2 3.9Å; F462-Y480 HydrophobicContact CD1-CD2 3.9Å; F462-Y480 AromaticContact CD1-CE1 3.62Å; F462-Y480 HydrophobicContact CD1-CE1 3.62Å; F462-Y480 AromaticContact CD1-CE2 3.72Å; F462-Y480 HydrophobicContact CD1-CE2 3.72Å; F462-Y480 AromaticContact CD1-CG 3.94Å; F462-Y480 HydrophobicContact CD1-CG 3.94Å; F462-Y480 AromaticContact CD1-CZ 3.56Å; F462-Y480 HydrophobicContact CE1-CD2 4.11Å; F462-Y480 HydrophobicContact CE1-CE2 4.12Å; F462-Y480 HydrophobicContact CE1-CG 4.39Å; F462-Y480 HydrophobicContact CG-CE1 4.24Å; F462-F563 HydrophobicContact CE1-CE2 4.05Å; F462-F563 AromaticContact CE1-CZ 3.7Å; F462-F563 HydrophobicContact CE1-CZ 3.7Å; F462-F563 HydrophobicContact CZ-CE2 4.36Å; F462-F563 HydrophobicContact CZ-CZ 4.17Å; F462-D668 HydrophobicContact CD1-CB 4.01Å; F462-D668 HydrophobicContact CE1-CB 4.13Å; F462-D668 HydrophobicContact CG-CB 4.27Å
463	K	65.3	Low	65.4	Low	133 Å²	133	67.6 Å²	67.6	58%	0.578	35%	0.347	S	S	*	.			trans	-75.7	100.5	166.3	-91.7	164.2	-153	164.9	0	111.2	S459 D460	S459-K463 WeakPolarHBondContact O-CB 3.31Å; S459-K463 WeakPolarHBondContact O-CD 3.48Å; S459-K463 WeakPolarHBondContact O-CE 3.49Å; S459-K463 WeakPolarHBondContact O-CG 3.27Å; S459-K463 PolarHBondContact O-N 3.08Å; D460-K463 IonicContact OD1-NZ 3.59Å; D460-K463 PolarHBondContact OD1-NZ 2.97Å
464	Q	54.5	Low	63.5	Low	71 Å²	71	68.8 Å²	68.8	33%	0.332	37%	0.368	S	S	.	.			trans	-150.1	152	155.1	-118.1	176.8	14.1	0	0	112.9	F462 V466 D481	F462-Q464 PolarHBondContact O-N 3.21Å; Q464-V466 PolarHBondContact O-N 2.9Å; Q464-D481 PolarHBondContact NE2-OD2 2.89Å; Q464-D481 VanDerWaalsContact NE2-OD2 3.07Å
465	N	45.3	Very low	61.3	Low	135 Å²	135	79.3 Å²	79.3	72%	0.722	41%	0.408	S	S	*	.			trans	-70.5	128.7	-177.9	-69.7	-38.1	0	0	0	111.1	I467 L468	N465-I467 PolarHBondContact O-N 2.77Å; N465-L468 PolarHBondContact O-N 3.25Å
466	V	46.4	Very low	59.5	Low	112 Å²	112	79.5 Å²	79.5	68%	0.679	41%	0.413	S	S	*	.	H	α-helix	trans	-47.8	-33.5	-175.2	-174.6	0	0	0	0	114.1	Q464 L468 T470	Q464-V466 PolarHBondContact O-N 2.9Å; V466-L468 PolarHBondContact O-N 3.35Å; V466-T470 PolarHBondContact O-OG1 2.89Å
467	I	44.2	Very low	58	Low	145 Å²	145	80 Å²	80	74%	0.744	42%	0.42	S	S	*	.	H	α-helix	trans	-63.1	-38.6	179.2	-58.2	174.6	0	0	0	111.7	N465	N465-I467 PolarHBondContact O-N 2.77Å
468	L	45.3	Very low	56.9	Low	89 Å²	89	79.3 Å²	79.3	47%	0.466	42%	0.418	S	S	.	.	H	α-helix	trans	-80.5	-42.4	-172.9	-166.2	67.9	0	0	0	112.5	N465 V466 T470 V471 K472	N465-L468 PolarHBondContact O-N 3.25Å; V466-L468 PolarHBondContact O-N 3.35Å; L468-T470 VanDerWaalsContact C-N 3.27Å; L468-T470 PolarHBondContact O-N 3.32Å; L468-V471 PolarHBondContact O-N 3.3Å; L468-V471 VanDerWaalsContact O-N 3.08Å; L468-K472 PolarHBondContact O-N 2.88Å
469	G	45.2	Very low	55.7	Low	3 Å²	3	83.2 Å²	83.2	3%	0.031	43%	0.434	C	S	.	.	H	α-helix	trans	-60.7	-36.2	178	0	0	0	0	0	112.8	V471 K472 M473	G469-V471 VanDerWaalsContact C-N 3.28Å; G469-V471 PolarHBondContact O-N 2.82Å; G469-K472 PolarHBondContact O-N 3.07Å; G469-M473 WeakPolarHBondContact O-CB 3.28Å; G469-M473 PolarHBondContact O-N 3.38Å
470	T	51.3	Low	55.2	Low	99 Å²	99	82.3 Å²	82.3	61%	0.607	43%	0.425	S	S	*	.	H	α-helix	trans	-61.6	-34.3	175.2	-53.9	0	0	0	0	112.3	V466 L468	V466-T470 PolarHBondContact O-OG1 2.89Å; L468-T470 VanDerWaalsContact C-N 3.27Å; L468-T470 PolarHBondContact O-N 3.32Å
471	V	51.4	Low	54.9	Low	92 Å²	92	80.2 Å²	80.2	56%	0.558	41%	0.413	S	S	*	.	H	α-helix	trans	-80.7	-43.6	176.9	-178.3	0	0	0	0	111.2	L468 G469 M473 G474	L468-V471 PolarHBondContact O-N 3.3Å; L468-V471 VanDerWaalsContact O-N 3.08Å; G469-V471 VanDerWaalsContact C-N 3.28Å; G469-V471 PolarHBondContact O-N 2.82Å; V471-M473 VanDerWaalsContact C-N 3.32Å; V471-M473 PolarHBondContact O-N 2.57Å; V471-G474 PolarHBondContact O-N 2.62Å
472	K	49.3	Very low	54.9	Low	68 Å²	68	79.8 Å²	79.8	30%	0.296	41%	0.411	S	S	.	.	H	α-helix	trans	-60.3	-38.7	177.8	-108.3	-174.8	176.1	-178.2	0	112.4	L468 G469 G474 W475 S476 D481	L468-K472 PolarHBondContact O-N 2.88Å; G469-K472 PolarHBondContact O-N 3.07Å; K472-G474 PolarHBondContact O-N 3.16Å; K472-G474 VanDerWaalsContact O-N 3.07Å; K472-W475 PolarHBondContact O-N 2.94Å; K472-S476 PolarHBondContact O-N 3.44Å; K472-S476 PolarHBondContact O-OG 2.73Å; K472-D481 IonicContact NZ-OD1 3.85Å; K472-D481 PolarHBondContact NZ-OD1 2.9Å; K472-D481 IonicContact NZ-OD2 3.98Å; K472-D481 PolarHBondContact NZ-OD2 3.26Å
473	M	48.6	Very low	55.4	Low	83 Å²	83	84.9 Å²	84.9	41%	0.409	44%	0.435	S	S	.	.	H	α-helix	trans	-54.7	-28.9	176.6	-96.1	-67.4	-69.2	0	0	114.6	G469 V471 W475	G469-M473 WeakPolarHBondContact O-CB 3.28Å; G469-M473 PolarHBondContact O-N 3.38Å; V471-M473 VanDerWaalsContact C-N 3.32Å; V471-M473 PolarHBondContact O-N 2.57Å; M473-W475 VanDerWaalsContact C-N 3.34Å
474	G	49.6	Very low	56.2	Low	59 Å²	59	80.8 Å²	80.8	61%	0.608	43%	0.426	S	S	*	.	H	α-helix	trans	-78.4	-11	176.5	0	0	0	0	0	115.4	V471 K472	V471-G474 PolarHBondContact O-N 2.62Å; K472-G474 PolarHBondContact O-N 3.16Å; K472-G474 VanDerWaalsContact O-N 3.07Å
475	W	45.3	Very low	57.6	Low	229 Å²	229	78.2 Å²	78.2	87%	0.867	41%	0.414	S	S	*	.	H	α-helix	trans	-129.3	-27.8	-173.1	-68.6	83.3	0	0	0	114.5	K472 M473	K472-W475 PolarHBondContact O-N 2.94Å; M473-W475 VanDerWaalsContact C-N 3.34Å
476	S	50.3	Low	59.6	Low	30 Å²	30	73.4 Å²	73.4	21%	0.21	39%	0.387	C	S	.	.	H	α-helix	trans	-125.8	2.1	-176.7	65	0	0	0	0	115	K472 A478	K472-S476 PolarHBondContact O-N 3.44Å; K472-S476 PolarHBondContact O-OG 2.73Å; S476-A478 PolarHBondContact O-N 2.87Å
477	H	56	Low	61.6	Low	147 Å²	147	71.9 Å²	71.9	68%	0.681	38%	0.375	S	S	*	.	S	Bend	trans	51.7	22.5	178.1	-59.9	-46.3	0	0	0	116.1
478	A	59.5	Low	63.6	Low	2 Å²	2	66.4 Å²	66.4	2%	0.017	35%	0.347	C	S	.	.			trans	-135.3	140	-179.9	0	0	0	0	0	109.9	S476 Q564	S476-A478 PolarHBondContact O-N 2.87Å; A478-Q564 HydrophobicContact CB-CB 4.21Å
479	F	57.4	Low	65.6	Low	85 Å²	85	62.5 Å²	62.5	37%	0.373	33%	0.326	S	S	.	.	S	Bend	trans	-82	-33.9	-178	-166.4	-81.3	0	0	0	112.9	G561 Y562	F479-G561 WeakPolarHBondContact CB-O 3.44Å; F479-G561 PolarHBondContact N-O 3.3Å; F479-Y562 PolarHBondContact N-O 2.81Å
480	Y	68.8	Low	67.8	Low	19 Å²	19	65.6 Å²	65.6	8%	0.075	34%	0.339	C	S	.	.	S	Bend	trans	-110.8	154.8	-173.6	-64.3	-78.1	0	0	0	113.6	F462 S482 Y562 D668	F462-Y480 HydrophobicContact CB-CD1 4.47Å; F462-Y480 HydrophobicContact CB-CE1 3.88Å; F462-Y480 AromaticContact CD1-CD1 3.8Å; F462-Y480 HydrophobicContact CD1-CD1 3.8Å; F462-Y480 AromaticContact CD1-CD2 3.9Å; F462-Y480 HydrophobicContact CD1-CD2 3.9Å; F462-Y480 AromaticContact CD1-CE1 3.62Å; F462-Y480 HydrophobicContact CD1-CE1 3.62Å; F462-Y480 AromaticContact CD1-CE2 3.72Å; F462-Y480 HydrophobicContact CD1-CE2 3.72Å; F462-Y480 AromaticContact CD1-CG 3.94Å; F462-Y480 HydrophobicContact CD1-CG 3.94Å; F462-Y480 AromaticContact CD1-CZ 3.56Å; F462-Y480 HydrophobicContact CE1-CD2 4.11Å; F462-Y480 HydrophobicContact CE1-CE2 4.12Å; F462-Y480 HydrophobicContact CE1-CG 4.39Å; F462-Y480 HydrophobicContact CG-CE1 4.24Å; Y480-S482 PolarHBondContact O-N 2.84Å; Y480-Y562 HydrophobicContact CD2-CD1 4.07Å; Y480-Y562 AromaticContact CE2-CD1 3.74Å; Y480-Y562 HydrophobicContact CE2-CD1 3.74Å; Y480-Y562 HydrophobicContact CE2-CE1 4.39Å; Y480-Y562 PolarHBondContact N-O 3.45Å; Y480-D668 HydrophobicContact CE2-CB 4.31Å; Y480-D668 PolarHBondContact OH-OD2 2.76Å
481	D	73.6	Confident	69.6	Low	35 Å²	35	67.3 Å²	67.3	19%	0.187	34%	0.34	C	S	.	.			trans	-77.9	106.8	-173.9	-135.6	-39.3	0	0	0	112.9	Q464 K472 E483 A484 W485	Q464-D481 PolarHBondContact NE2-OD2 2.89Å; Q464-D481 VanDerWaalsContact NE2-OD2 3.07Å; K472-D481 IonicContact NZ-OD1 3.85Å; K472-D481 PolarHBondContact NZ-OD1 2.9Å; K472-D481 IonicContact NZ-OD2 3.98Å; K472-D481 PolarHBondContact NZ-OD2 3.26Å; D481-E483 VanDerWaalsContact C-N 3.32Å; D481-E483 PolarHBondContact O-N 2.87Å; D481-A484 HydrophobicContact CB-CB 4.05Å; D481-A484 PolarHBondContact O-N 2.95Å; D481-W485 PolarHBondContact O-N 2.98Å
482	S	75.6	Confident	71.1	Confident	10 Å²	10	67.1 Å²	67.1	7%	0.07	33%	0.332	C	S	.	.	H	α-helix	trans	-71.3	-27.6	-175.8	-60.7	0	0	0	0	112.6	Y480 E486 Q564	Y480-S482 PolarHBondContact O-N 2.84Å; S482-E486 WeakPolarHBondContact O-CG 3.28Å; S482-E486 PolarHBondContact O-N 2.91Å; S482-Q564 PolarHBondContact OG-N 3.1Å; S482-Q564 VanDerWaalsContact OG-N 3.1Å
483	E	81.3	Confident	72.8	Confident	136 Å²	136	64.9 Å²	64.9	64%	0.636	32%	0.324	S	S	*	.	H	α-helix	trans	-71.3	-40.2	175.8	-174.7	175.8	-178.2	0	0	111.7	D481 W485 E486 N487	D481-E483 VanDerWaalsContact C-N 3.32Å; D481-E483 PolarHBondContact O-N 2.87Å; E483-W485 PolarHBondContact O-N 2.94Å; E483-E486 PolarHBondContact O-N 2.98Å; E483-N487 VanDerWaalsContact O-CG 3.27Å; E483-N487 PolarHBondContact O-N 3.38Å; E483-N487 PolarHBondContact O-ND2 3.35Å
484	A	81.3	Confident	74.5	Confident	47 Å²	47	61.8 Å²	61.8	39%	0.388	31%	0.313	S	S	.	.	H	α-helix	trans	-61	-45.2	174.3	0	0	0	0	0	111.1	D481 E486 N487 I488	D481-A484 HydrophobicContact CB-CB 4.05Å; D481-A484 PolarHBondContact O-N 2.95Å; A484-E486 PolarHBondContact O-N 2.97Å; A484-N487 PolarHBondContact O-N 3.03Å; A484-I488 VanDerWaalsContact O-CG1 3.28Å; A484-I488 WeakPolarHBondContact O-CG1 3.2Å; A484-I488 PolarHBondContact O-N 3.34Å
485	W	83	Confident	76.4	Confident	17 Å²	17	62.1 Å²	62.1	6%	0.064	31%	0.306	C	S	.	.	H	α-helix	trans	-61.1	-43.8	175.7	179.4	-141.4	0	0	0	112.4	V435 L457 V461 D481 E483 N487 I488 L489 I553 S557 F563	V435-W485 HydrophobicContact CG2-CH2 4.42Å; V435-W485 HydrophobicContact CG2-CZ2 4.23Å; L457-W485 HydrophobicContact CD2-CZ3 4.43Å; V461-W485 HydrophobicContact CG2-CD2 4.08Å; V461-W485 HydrophobicContact CG2-CE3 3.32Å; V461-W485 HydrophobicContact CG2-CZ3 3.71Å; D481-W485 PolarHBondContact O-N 2.98Å; E483-W485 PolarHBondContact O-N 2.94Å; W485-N487 PolarHBondContact O-N 2.92Å; W485-I488 HydrophobicContact CE3-CB 4.3Å; W485-I488 HydrophobicContact CE3-CG2 4.13Å; W485-I488 HydrophobicContact CZ3-CG2 4.1Å; W485-I488 PolarHBondContact O-N 3.25Å; W485-L489 HydrophobicContact CD2-CD1 3.9Å; W485-L489 HydrophobicContact CD2-CG 3.89Å; W485-L489 HydrophobicContact CE3-CD1 4.42Å; W485-L489 HydrophobicContact CE3-CD2 4.3Å; W485-L489 HydrophobicContact CE3-CG 3.89Å; W485-L489 HydrophobicContact CG-CD1 4.32Å; W485-L489 HydrophobicContact CH2-CD1 4.48Å; W485-L489 HydrophobicContact CH2-CD2 3.57Å; W485-L489 HydrophobicContact CH2-CG 4.03Å; W485-L489 HydrophobicContact CZ2-CD1 3.92Å; W485-L489 HydrophobicContact CZ2-CD2 3.75Å; W485-L489 HydrophobicContact CZ2-CG 3.98Å; W485-L489 HydrophobicContact CZ3-CD2 3.85Å; W485-L489 HydrophobicContact CZ3-CG 3.97Å; W485-L489 WeakPolarHBondContact O-CG 3.42Å; W485-L489 PolarHBondContact O-N 2.9Å; W485-I553 HydrophobicContact CZ2-CG2 4.18Å; W485-S557 PolarHBondContact NE1-OG 3.45Å; W485-F563 HydrophobicContact CB-CE1 4.41Å; W485-F563 HydrophobicContact CG-CE1 4.46Å
486	E	88.2	Confident	78.6	Confident	34 Å²	34	56.7 Å²	56.7	16%	0.159	29%	0.29	C	S	.	.	H	α-helix	trans	-63.8	-38.2	177	-77.1	-177.3	-149.7	0	0	113.5	S482 E483 A484 L489 K490 W550 R554	S482-E486 WeakPolarHBondContact O-CG 3.28Å; S482-E486 PolarHBondContact O-N 2.91Å; E483-E486 PolarHBondContact O-N 2.98Å; A484-E486 PolarHBondContact O-N 2.97Å; E486-L489 PolarHBondContact O-N 3.34Å; E486-K490 WeakPolarHBondContact O-CB 3.45Å; E486-K490 VanDerWaalsContact O-CD 3.26Å; E486-K490 WeakPolarHBondContact O-CD 3.33Å; E486-K490 WeakPolarHBondContact O-CG 3.41Å; E486-K490 PolarHBondContact O-N 3.07Å; E486-K490 IonicContact OE2-NZ 2.64Å; E486-K490 PolarHBondContact OE2-NZ 2.97Å; E486-W550 HydrophobicContact CB-CZ3 4.32Å; E486-W550 HydrophobicContact CG-CE3 4.31Å; E486-W550 HydrophobicContact CG-CZ3 3.89Å; E486-W550 WeakPolarHBondContact OE2-CZ3 2.84Å; E486-R554 HydrophobicContact CG-CB 4.44Å; E486-R554 VanDerWaalsContact CG-CD 3.43Å; E486-R554 HydrophobicContact CG-CG 3.67Å; E486-R554 IonicContact OE1-CZ 2.65Å; E486-R554 IonicContact OE1-NE 2.95Å; E486-R554 PolarHBondContact OE1-NE 2.95Å; E486-R554 IonicContact OE1-NH2 3.06Å
487	N	88.4	Confident	80.8	Confident	80 Å²	80	57.3 Å²	57.3	43%	0.428	29%	0.291	S	S	.	.	H	α-helix	trans	-69.6	-39.9	177.9	-68	-20.6	0	0	0	111.3	E483 A484 W485 L489 K490 E491	E483-N487 VanDerWaalsContact O-CG 3.27Å; E483-N487 PolarHBondContact O-N 3.38Å; E483-N487 PolarHBondContact O-ND2 3.35Å; A484-N487 PolarHBondContact O-N 3.03Å; W485-N487 PolarHBondContact O-N 2.92Å; N487-L489 PolarHBondContact O-N 3.47Å; N487-K490 PolarHBondContact O-N 3.2Å; N487-E491 WeakPolarHBondContact O-CB 3.44Å; N487-E491 PolarHBondContact O-N 2.75Å
488	I	86.6	Confident	82.8	Confident	31 Å²	31	50.3 Å²	50.3	16%	0.159	26%	0.258	C	S	.	.	H	α-helix	trans	-59.8	-44.2	171	-69.6	165.8	0	0	0	111	L457 D460 V461 A484 W485 E491 K492	L457-I488 HydrophobicContact CD2-CG2 3.3Å; D460-I488 HydrophobicContact CB-CD1 4.37Å; V461-I488 HydrophobicContact CG2-CD1 4Å; A484-I488 VanDerWaalsContact O-CG1 3.28Å; A484-I488 WeakPolarHBondContact O-CG1 3.2Å; A484-I488 PolarHBondContact O-N 3.34Å; W485-I488 HydrophobicContact CE3-CB 4.3Å; W485-I488 HydrophobicContact CE3-CG2 4.13Å; W485-I488 HydrophobicContact CZ3-CG2 4.1Å; W485-I488 PolarHBondContact O-N 3.25Å; I488-E491 PolarHBondContact O-N 3.26Å; I488-K492 HydrophobicContact CG2-CG 4.34Å; I488-K492 WeakPolarHBondContact O-CG 3.46Å; I488-K492 PolarHBondContact O-N 3.14Å
489	L	88.1	Confident	84.6	Confident	6 Å²	6	50.2 Å²	50.2	3%	0.031	26%	0.258	C	S	.	.	H	α-helix	trans	-66.1	-41.7	177.7	-72.9	174.4	0	0	0	112.7	W485 E486 N487 E491 V493 G494 W550 I553 R554	W485-L489 HydrophobicContact CD2-CD1 3.9Å; W485-L489 HydrophobicContact CD2-CG 3.89Å; W485-L489 HydrophobicContact CE3-CD1 4.42Å; W485-L489 HydrophobicContact CE3-CD2 4.3Å; W485-L489 HydrophobicContact CE3-CG 3.89Å; W485-L489 HydrophobicContact CG-CD1 4.32Å; W485-L489 HydrophobicContact CH2-CD1 4.48Å; W485-L489 HydrophobicContact CH2-CD2 3.57Å; W485-L489 HydrophobicContact CH2-CG 4.03Å; W485-L489 HydrophobicContact CZ2-CD1 3.92Å; W485-L489 HydrophobicContact CZ2-CD2 3.75Å; W485-L489 HydrophobicContact CZ2-CG 3.98Å; W485-L489 HydrophobicContact CZ3-CD2 3.85Å; W485-L489 HydrophobicContact CZ3-CG 3.97Å; W485-L489 WeakPolarHBondContact O-CG 3.42Å; W485-L489 PolarHBondContact O-N 2.9Å; E486-L489 PolarHBondContact O-N 3.34Å; N487-L489 PolarHBondContact O-N 3.47Å; L489-E491 VanDerWaalsContact C-N 3.26Å; L489-E491 PolarHBondContact O-N 3.08Å; L489-V493 HydrophobicContact CD2-CG2 4.02Å; L489-V493 WeakPolarHBondContact O-CA 3.38Å; L489-V493 WeakPolarHBondContact O-CB 3.45Å; L489-V493 PolarHBondContact O-N 2.94Å; L489-G494 PolarHBondContact O-N 2.94Å; L489-W550 HydrophobicContact CB-CB 3.85Å; L489-I553 HydrophobicContact CD1-CB 4.22Å; L489-I553 HydrophobicContact CD1-CG2 3.95Å; L489-I553 HydrophobicContact CD2-CB 4.09Å; L489-I553 HydrophobicContact CD2-CD1 4.47Å; L489-I553 HydrophobicContact CD2-CG2 3.5Å; L489-I553 VanDerWaalsContact CD2-CG2 3.5Å; L489-I553 HydrophobicContact CG-CG2 4.39Å; L489-R554 HydrophobicContact CD1-CB 3.86Å
490	K	90.7	Very high	86.5	Confident	69 Å²	69	48.2 Å²	48.2	30%	0.3	25%	0.249	S	C	.	.	H	α-helix	trans	-61.9	-35.4	175.1	-69.7	157.8	-162.3	162.7	0	111.3	E486 N487 G494 W550	E486-K490 WeakPolarHBondContact O-CB 3.45Å; E486-K490 VanDerWaalsContact O-CD 3.26Å; E486-K490 WeakPolarHBondContact O-CD 3.33Å; E486-K490 WeakPolarHBondContact O-CG 3.41Å; E486-K490 PolarHBondContact O-N 3.07Å; E486-K490 IonicContact OE2-NZ 2.64Å; E486-K490 PolarHBondContact OE2-NZ 2.97Å; N487-K490 PolarHBondContact O-N 3.2Å; K490-G494 VanDerWaalsContact O-CA 3.29Å; K490-G494 WeakPolarHBondContact O-CA 3.33Å; K490-G494 PolarHBondContact O-N 3.21Å; K490-W550 HydrophobicContact CD-CD2 4.41Å; K490-W550 VanDerWaalsContact CE-CH2 3.49Å; K490-W550 HydrophobicContact CG-CB 4.34Å; K490-W550 HydrophobicContact CG-CD2 3.78Å; K490-W550 HydrophobicContact CG-CE3 4.3Å; K490-W550 HydrophobicContact CG-CG 3.79Å
491	E	88.2	Confident	87.8	Confident	134 Å²	134	48.1 Å²	48.1	63%	0.626	25%	0.251	S	S	*	.	H	α-helix	trans	-73.1	-50.3	176.1	-163.1	-146.3	141.2	0	0	112.8	N487 I488 L489	N487-E491 WeakPolarHBondContact O-CB 3.44Å; N487-E491 PolarHBondContact O-N 2.75Å; I488-E491 PolarHBondContact O-N 3.26Å; L489-E491 VanDerWaalsContact C-N 3.26Å; L489-E491 PolarHBondContact O-N 3.08Å
492	K	83.9	Confident	88.9	Confident	89 Å²	89	46.9 Å²	46.9	39%	0.387	25%	0.245	S	C	.	.	H	α-helix	trans	-86.2	-26.6	-171	-57	-50	-177.4	-168.5	0	114.8	L457 I488	L457-K492 HydrophobicContact CD2-CG 4.22Å; I488-K492 HydrophobicContact CG2-CG 4.34Å; I488-K492 WeakPolarHBondContact O-CG 3.46Å; I488-K492 PolarHBondContact O-N 3.14Å
493	V	83.8	Confident	89.9	Confident	20 Å²	20	49.4 Å²	49.4	12%	0.121	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.4	-23.7	-175.2	-165	0	0	0	0	111.6	I443 L489 L549 I553	I443-V493 HydrophobicContact CD1-CB 4.48Å; I443-V493 HydrophobicContact CD1-CG1 4.2Å; I443-V493 HydrophobicContact CD1-CG2 4.39Å; L489-V493 HydrophobicContact CD2-CG2 4.02Å; L489-V493 WeakPolarHBondContact O-CA 3.38Å; L489-V493 WeakPolarHBondContact O-CB 3.45Å; L489-V493 PolarHBondContact O-N 2.94Å; V493-L549 HydrophobicContact CG1-CB 3.58Å; V493-L549 HydrophobicContact CG1-CD1 4.16Å; V493-I553 HydrophobicContact CB-CD1 4.41Å; V493-I553 HydrophobicContact CG1-CD1 3.79Å; V493-I553 HydrophobicContact CG2-CD1 3.93Å
494	G	85.1	Confident	90.6	Very high	18 Å²	18	45.6 Å²	45.6	19%	0.186	24%	0.237	C	C	.	.			trans	80.7	175.8	176.3	0	0	0	0	0	114.9	L489 K490	L489-G494 PolarHBondContact O-N 2.94Å; K490-G494 VanDerWaalsContact O-CA 3.29Å; K490-G494 WeakPolarHBondContact O-CA 3.33Å; K490-G494 PolarHBondContact O-N 3.21Å
495	S	89.4	Confident	91.3	Very high	67 Å²	67	46.7 Å²	46.7	47%	0.469	24%	0.24	S	C	.	.	S	Bend	trans	-98	11.6	-174.7	-64.1	0	0	0	0	114.2	Q548	S495-Q548 WeakPolarHBondContact O-CG 3.48Å; S495-Q548 PolarHBondContact O-NE2 2.79Å
496	H	92.6	Very high	91.8	Very high	115 Å²	115	49.2 Å²	49.2	53%	0.532	26%	0.255	S	S	.	.			trans	-59.3	147.5	176.1	-73.3	-65.3	0	0	0	112.3	E500 Q548 L549	H496-E500 VanDerWaalsContact CA-OE2 3.28Å; H496-E500 WeakPolarHBondContact CA-OE2 3.47Å; H496-E500 WeakPolarHBondContact CB-OE2 3.36Å; H496-E500 IonicContact CG-OE2 3.56Å; H496-E500 IonicContact ND1-OE2 2.72Å; H496-E500 PolarHBondContact ND1-OE2 3.29Å; H496-Q548 CarbonylContact O-C 3.5Å; H496-Q548 WeakPolarHBondContact O-CA 3.47Å; H496-L549 HydrophobicContact CB-CD1 4.02Å; H496-L549 HydrophobicContact CB-CG 4.32Å; H496-L549 PolarHBondContact O-N 3.43Å
497	I	96.1	Very high	92.3	Very high	42 Å²	42	48.3 Å²	48.3	22%	0.215	25%	0.252	C	S	.	.	B	Isolated β-bridge	trans	-81	140.5	174	-61.8	175.1	0	0	0	108.7	V499 E500 C545	I497-V499 HydrophobicContact CG2-CG1 4.13Å; I497-V499 PolarHBondContact O-N 2.92Å; I497-V499 VanDerWaalsContact O-N 3.1Å; I497-E500 HydrophobicContact CB-CG 4Å; I497-E500 PolarHBondContact N-OE2 3.29Å; I497-E500 VanDerWaalsContact O-CB 3.31Å; I497-E500 WeakPolarHBondContact O-CB 3.42Å; I497-E500 PolarHBondContact O-N 3.27Å; I497-C545 VanDerWaalsContact CG2-O 3.22Å; I497-C545 WeakPolarHBondContact CG2-O 3.44Å
498	L	97.7	Very high	92.7	Very high	1 Å²	1	45 Å²	45	1%	0.005	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-46	-45.5	-178.1	-76.9	153.1	0	0	0	113.1	F438 E500 T501 F528 N530 Y547 L549 A552	F438-L498 HydrophobicContact CE1-CD2 3.64Å; F438-L498 HydrophobicContact CZ-CD2 3.68Å; L498-E500 VanDerWaalsContact C-N 3.3Å; L498-E500 PolarHBondContact O-N 3.46Å; L498-T501 WeakPolarHBondContact O-CB 3.42Å; L498-T501 WeakPolarHBondContact O-CG2 3.42Å; L498-T501 PolarHBondContact O-N 3.11Å; L498-T501 PolarHBondContact O-OG1 3.43Å; L498-F528 HydrophobicContact CD1-CB 3.99Å; L498-F528 HydrophobicContact CD1-CD1 4.4Å; L498-N530 WeakPolarHBondContact O-CB 3.01Å; L498-Y547 HydrophobicContact CD1-CD2 4.34Å; L498-Y547 WeakPolarHBondContact CD1-O 3.5Å; L498-Y547 WeakPolarHBondContact CG-O 3.5Å; L498-Y547 PolarHBondContact N-O 3.4Å; L498-L549 HydrophobicContact CD2-CD2 3.85Å; L498-L549 HydrophobicContact CG-CD2 4.22Å; L498-A552 HydrophobicContact CD1-CB 4.42Å; L498-A552 HydrophobicContact CD2-CB 4.3Å
499	V	97.2	Very high	93.3	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-66.8	-26.7	-178.5	79.8	0	0	0	0	113.8	L339 E374 A377 L378 I497 T501 S502 C545	L339-V499 HydrophobicContact CD2-CG1 4.2Å; E374-V499 HydrophobicContact CG-CG1 4.1Å; E374-V499 HydrophobicContact CG-CG2 4.35Å; A377-V499 HydrophobicContact CB-CG2 4.02Å; L378-V499 HydrophobicContact CD2-CB 4.43Å; L378-V499 HydrophobicContact CD2-CG1 4.09Å; L378-V499 HydrophobicContact CD2-CG2 4Å; L378-V499 HydrophobicContact CG-CG1 4.34Å; L378-V499 HydrophobicContact CG-CG2 3.92Å; I497-V499 HydrophobicContact CG2-CG1 4.13Å; I497-V499 PolarHBondContact O-N 2.92Å; I497-V499 VanDerWaalsContact O-N 3.1Å; V499-T501 PolarHBondContact O-N 2.82Å; V499-S502 WeakPolarHBondContact O-CB 3.43Å; V499-S502 PolarHBondContact O-N 3.39Å; V499-S502 PolarHBondContact O-OG 2.82Å; V499-C545 HydrophobicContact CB-CB 4.02Å; V499-C545 HydrophobicContact CG2-CB 4.41Å; V499-C545 PolarHBondContact N-O 3.48Å
500	E	96.9	Very high	93.8	Very high	42 Å²	42	44.7 Å²	44.7	20%	0.196	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-62.4	-27.8	-179.8	-62.2	174.8	158.1	0	0	112	E374 H496 I497 L498 S502 R503	E374-E500 VanDerWaalsContact OE2-CA 3.3Å; E374-E500 WeakPolarHBondContact OE2-CA 3.29Å; H496-E500 VanDerWaalsContact CA-OE2 3.28Å; H496-E500 WeakPolarHBondContact CA-OE2 3.47Å; H496-E500 WeakPolarHBondContact CB-OE2 3.36Å; H496-E500 IonicContact CG-OE2 3.56Å; H496-E500 IonicContact ND1-OE2 2.72Å; H496-E500 PolarHBondContact ND1-OE2 3.29Å; I497-E500 HydrophobicContact CB-CG 4Å; I497-E500 PolarHBondContact N-OE2 3.29Å; I497-E500 VanDerWaalsContact O-CB 3.31Å; I497-E500 WeakPolarHBondContact O-CB 3.42Å; I497-E500 PolarHBondContact O-N 3.27Å; L498-E500 VanDerWaalsContact C-N 3.3Å; L498-E500 PolarHBondContact O-N 3.46Å; E500-S502 PolarHBondContact O-N 2.95Å; E500-S502 VanDerWaalsContact O-N 3.09Å; E500-R503 WeakPolarHBondContact O-CB 3.46Å; E500-R503 WeakPolarHBondContact O-CG 3.28Å; E500-R503 PolarHBondContact O-N 2.89Å
501	T	96.9	Very high	94.1	Very high	17 Å²	17	41.4 Å²	41.4	10%	0.104	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-58.3	-24.7	175.7	68.9	0	0	0	0	112.6	V442 L498 V499 R503 N504 C507 N530 L549	V442-T501 HydrophobicContact CB-CG2 4.48Å; V442-T501 HydrophobicContact CG1-CG2 3.37Å; V442-T501 HydrophobicContact CG2-CG2 4.33Å; L498-T501 WeakPolarHBondContact O-CB 3.42Å; L498-T501 WeakPolarHBondContact O-CG2 3.42Å; L498-T501 PolarHBondContact O-N 3.11Å; L498-T501 PolarHBondContact O-OG1 3.43Å; V499-T501 PolarHBondContact O-N 2.82Å; T501-R503 VanDerWaalsContact C-N 3.25Å; T501-R503 PolarHBondContact O-N 2.93Å; T501-N504 WeakPolarHBondContact O-CB 3.43Å; T501-N504 PolarHBondContact O-N 3.31Å; T501-C507 WeakPolarHBondContact O-CB 3.35Å; T501-N530 WeakPolarHBondContact OG1-CB 3.21Å; T501-N530 PolarHBondContact OG1-ND2 3.44Å; T501-N530 VanDerWaalsContact OG1-ND2 3.09Å; T501-L549 HydrophobicContact CG2-CD1 4.24Å; T501-L549 HydrophobicContact CG2-CD2 3.88Å
502	S	96.4	Very high	94.6	Very high	10 Å²	10	35 Å²	35	7%	0.07	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-73.3	-10.1	175.7	71.6	0	0	0	0	114.6	R373 E374 A377 V499 E500 N504	R373-S502 WeakPolarHBondContact CB-O 3.37Å; E374-S502 WeakPolarHBondContact CA-OG 3.37Å; A377-S502 WeakPolarHBondContact CB-OG 3.5Å; V499-S502 WeakPolarHBondContact O-CB 3.43Å; V499-S502 PolarHBondContact O-N 3.39Å; V499-S502 PolarHBondContact O-OG 2.82Å; E500-S502 PolarHBondContact O-N 2.95Å; E500-S502 VanDerWaalsContact O-N 3.09Å; S502-N504 PolarHBondContact O-N 3.36Å
503	R	96.8	Very high	95.3	Very high	63 Å²	63	30.9 Å²	30.9	24%	0.238	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-57.2	-37.2	166.3	-75.3	176.8	149.9	124.3	-15.2	110.5	E332 A370 R373 E374 E500 T501	E332-R503 IonicContact OE1-CZ 2.69Å; E332-R503 IonicContact OE1-NH2 2.75Å; E332-R503 PolarHBondContact OE1-NH2 2.65Å; A370-R503 HydrophobicContact CB-CB 3.96Å; A370-R503 HydrophobicContact CB-CG 4.15Å; R373-R503 PolarHBondContact NH1-O 3.49Å; E374-R503 HydrophobicContact CB-CG 4.17Å; E374-R503 VanDerWaalsContact CD-NH1 3.35Å; E374-R503 IonicContact OE1-CZ 2.64Å; E374-R503 IonicContact OE1-NH1 2.68Å; E374-R503 PolarHBondContact OE1-NH1 2.69Å; E374-R503 WeakPolarHBondContact OE2-CD 2.89Å; E374-R503 WeakPolarHBondContact OE2-CG 3.39Å; E374-R503 IonicContact OE2-CZ 3.34Å; E374-R503 IonicContact OE2-NE 4Å; E374-R503 PolarHBondContact OE2-NE 3.48Å; E374-R503 IonicContact OE2-NH1 3.05Å; E374-R503 PolarHBondContact OE2-NH1 2.84Å; E500-R503 WeakPolarHBondContact O-CB 3.46Å; E500-R503 WeakPolarHBondContact O-CG 3.28Å; E500-R503 PolarHBondContact O-N 2.89Å; T501-R503 VanDerWaalsContact C-N 3.25Å; T501-R503 PolarHBondContact O-N 2.93Å
504	N	96.2	Very high	96	Very high	55 Å²	55	29.9 Å²	29.9	29%	0.294	17%	0.165	S	C	.	.	S	Bend	trans	-73.5	119.4	171.8	179	-7	0	0	0	110.3	Q444 T501 S502 D506 C507	Q444-N504 PolarHBondContact OE1-ND2 3.42Å; T501-N504 WeakPolarHBondContact O-CB 3.43Å; T501-N504 PolarHBondContact O-N 3.31Å; S502-N504 PolarHBondContact O-N 3.36Å; N504-D506 PolarHBondContact O-N 3.11Å; N504-D506 PolarHBondContact OD1-N 2.92Å; N504-C507 HydrophobicContact CB-CB 4.12Å; N504-C507 PolarHBondContact O-N 3.04Å
505	P	94.4	Very high	96.6	Very high	71 Å²	71	29.1 Å²	29.1	46%	0.461	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-17.8	-178.1	29.7	-34.8	0	0	0	114.1
506	D	95.2	Very high	96.9	Very high	69 Å²	69	26 Å²	26	37%	0.369	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.3	3	-177.1	-69.4	-64.4	0	0	0	113.4	K386 Q444 N504 P508	K386-D506 IonicContact NZ-OD1 3.92Å; K386-D506 PolarHBondContact NZ-OD1 2.54Å; Q444-D506 VanDerWaalsContact NE2-C 3.32Å; Q444-D506 PolarHBondContact NE2-O 3Å; N504-D506 PolarHBondContact O-N 3.11Å; N504-D506 PolarHBondContact OD1-N 2.92Å; D506-P508 WeakPolarHBondContact O-CD 3.47Å
507	C	96.9	Very high	97	Very high	16 Å²	16	22.2 Å²	22.2	11%	0.108	12%	0.12	C	C	.	.			trans	-72.5	120.8	165.6	-169.1	0	0	0	0	109.8	G441 T501 N504	G441-C507 PolarHBondContact O-SG 2.96Å; T501-C507 WeakPolarHBondContact O-CB 3.35Å; N504-C507 HydrophobicContact CB-CB 4.12Å; N504-C507 PolarHBondContact O-N 3.04Å
508	P	97.7	Very high	96.9	Very high	11 Å²	11	23.9 Å²	23.9	7%	0.071	13%	0.129	C	C	.	.			trans	-72.2	-179.6	176	32.1	-34.7	0	0	0	110.5	H421 F424 I427 G441 D506 V510 N530	H421-P508 HydrophobicContact CB-CG 4.36Å; F424-P508 WeakPolarHBondContact O-CB 3.1Å; I427-P508 HydrophobicContact CD1-CG 3.7Å; I427-P508 HydrophobicContact CG1-CG 4.1Å; G441-P508 WeakPolarHBondContact O-CD 3.35Å; D506-P508 WeakPolarHBondContact O-CD 3.47Å; P508-V510 HydrophobicContact CG-CG2 3.98Å; P508-V510 PolarHBondContact O-N 3.22Å; P508-N530 PolarHBondContact O-ND2 3.01Å
509	K	98.4	Very high	96.6	Very high	28 Å²	28	27.3 Å²	27.3	12%	0.122	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	122.6	168.9	-61.2	-43.4	-168.8	-176.5	0	109.3	H382 D425 Y426 I427 N530 Y531 L594 W595	H382-K509 PolarHBondContact CE1-NZ 2.9Å; H382-K509 WeakPolarHBondContact ND1-CE 3.36Å; H382-K509 PolarHBondContact ND1-NZ 3.21Å; D425-K509 PolarHBondContact O-N 3.33Å; Y426-K509 CarbonylContact C-O 3.48Å; Y426-K509 VanDerWaalsContact CA-O 3.28Å; Y426-K509 WeakPolarHBondContact CA-O 3.18Å; Y426-K509 HydrophobicContact CD2-CB 3.72Å; Y426-K509 HydrophobicContact CE2-CB 4.19Å; Y426-K509 HydrophobicContact CG-CB 4.49Å; I427-K509 PolarHBondContact N-O 1.78Å; K509-N530 WeakPolarHBondContact CA-OD1 3.1Å; K509-Y531 HydrophobicContact CB-CD1 3.86Å; K509-Y531 HydrophobicContact CB-CE1 4.06Å; K509-Y531 HydrophobicContact CD-CD1 4.03Å; K509-Y531 HydrophobicContact CD-CG 4.35Å; K509-Y531 HydrophobicContact CG-CD1 4.17Å; K509-L594 HydrophobicContact CB-CD1 4.14Å; K509-L594 HydrophobicContact CG-CD1 4.01Å; K509-W595 HydrophobicContact CB-CH2 4.31Å; K509-W595 HydrophobicContact CG-CH2 3.76Å; K509-W595 HydrophobicContact CG-CZ2 4.17Å
510	V	98.3	Very high	95.9	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.006	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	136.5	-174.7	-171.1	0	0	0	0	109.8	I427 F438 V442 P508 R529 N530	I427-V510 HydrophobicContact CB-CG2 4.4Å; I427-V510 CarbonylContact O-C 3.54Å; I427-V510 WeakPolarHBondContact O-CA 3.35Å; F438-V510 HydrophobicContact CD2-CG1 3.58Å; F438-V510 HydrophobicContact CE2-CG1 3.58Å; F438-V510 HydrophobicContact CG-CG1 4.34Å; F438-V510 HydrophobicContact CZ-CG1 4.34Å; V442-V510 HydrophobicContact CG2-CB 4.1Å; V442-V510 HydrophobicContact CG2-CG1 4.21Å; V442-V510 HydrophobicContact CG2-CG2 3.92Å; P508-V510 HydrophobicContact CG-CG2 3.98Å; P508-V510 PolarHBondContact O-N 3.22Å; V510-R529 WeakPolarHBondContact O-CA 3.22Å; V510-N530 PolarHBondContact N-OD1 2.83Å; V510-N530 PolarHBondContact O-N 2.82Å; V510-N530 VanDerWaalsContact O-N 3.1Å; V510-N530 PolarHBondContact O-OD1 3.17Å
511	A	98.5	Very high	95.1	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.008	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	140.3	179.4	0	0	0	0	0	113.7	Y426 I427 C428 G429 V527 F528 R529	Y426-A511 HydrophobicContact CE1-CB 4.32Å; Y426-A511 WeakPolarHBondContact OH-CB 3.31Å; I427-A511 PolarHBondContact O-N 3.36Å; C428-A511 WeakPolarHBondContact CA-O 3.43Å; G429-A511 PolarHBondContact N-O 3.05Å; A511-V527 HydrophobicContact CB-CG1 3.88Å; A511-F528 CarbonylContact C-O 3.55Å; A511-F528 WeakPolarHBondContact CA-O 3.31Å; A511-R529 HydrophobicContact CB-CB 4.38Å
512	A	98.5	Very high	94.7	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	134.9	170.7	0	0	0	0	0	110.2	G429 A434 F438 F528 A552 T556	G429-A512 WeakPolarHBondContact O-CA 3.14Å; A434-A512 HydrophobicContact CB-CB 3.63Å; F438-A512 HydrophobicContact CE2-CB 3.69Å; F438-A512 HydrophobicContact CZ-CB 3.97Å; A512-F528 HydrophobicContact CB-CB 4.32Å; A512-F528 PolarHBondContact N-O 3.25Å; A512-F528 PolarHBondContact O-N 3.18Å; A512-A552 HydrophobicContact CB-CB 4.48Å; A512-T556 HydrophobicContact CB-CG2 4.1Å
513	V	98.4	Very high	94.5	Very high	1 Å²	1	41 Å²	41	1%	0.006	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	130.9	-176.1	-174.7	0	0	0	0	110.7	G429 V430 A525 T556 G576 P583 L586	G429-V513 PolarHBondContact O-N 2.87Å; V430-V513 HydrophobicContact CG2-CB 3.85Å; V430-V513 HydrophobicContact CG2-CG2 4.34Å; V513-A525 HydrophobicContact CG1-CB 4.12Å; V513-T556 VanDerWaalsContact O-CB 3.27Å; V513-T556 WeakPolarHBondContact O-CB 3.28Å; V513-T556 PolarHBondContact O-OG1 3.5Å; V513-G576 VanDerWaalsContact O-CA 3.29Å; V513-G576 WeakPolarHBondContact O-CA 3.32Å; V513-P583 HydrophobicContact CG2-CB 4.25Å; V513-L586 HydrophobicContact CG1-CD1 3.94Å; V513-L586 HydrophobicContact CG2-CD1 3.87Å; V513-L586 HydrophobicContact CG2-CD2 3.72Å; V513-L586 HydrophobicContact CG2-CG 4.44Å
514	S	97.9	Very high	94.3	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	167.6	174.9	66.3	0	0	0	0	111	A525 H526 F528 H573	S514-A525 CarbonylContact O-C 3.49Å; S514-A525 WeakPolarHBondContact O-CA 3.12Å; S514-H526 PolarHBondContact N-O 3.4Å; S514-H526 PolarHBondContact O-N 3.06Å; S514-H526 PolarHBondContact OG-O 3.01Å; S514-F528 VanDerWaalsContact OG-CE2 3.32Å; S514-F528 WeakPolarHBondContact OG-CE2 3.09Å; S514-H573 PolarHBondContact OG-ND1 2.89Å
515	T	97.2	Very high	94.4	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.006	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	120.4	177.1	-51.6	0	0	0	0	110.2	V517 L523 H573 Q574 D575 L578 L579	T515-V517 HydrophobicContact CG2-CG1 4.24Å; T515-L523 HydrophobicContact CG2-CB 3.95Å; T515-L523 HydrophobicContact CG2-CD1 4.05Å; T515-L523 HydrophobicContact CG2-CG 4.49Å; T515-H573 WeakPolarHBondContact O-CA 3.21Å; T515-Q574 PolarHBondContact N-O 2.92Å; T515-Q574 PolarHBondContact O-N 2.84Å; T515-D575 WeakPolarHBondContact CB-O 3.31Å; T515-D575 PolarHBondContact OG1-O 3.38Å; T515-L578 HydrophobicContact CG2-CB 4.46Å; T515-L578 HydrophobicContact CG2-CD2 4.18Å; T515-L578 HydrophobicContact CG2-CG 4.42Å; T515-L579 HydrophobicContact CG2-CB 3.94Å; T515-L579 HydrophobicContact CG2-CD2 4.21Å
516	I	96.7	Very high	94.5	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.005	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	123.7	170.8	-65.1	174.4	0	0	0	108.9	Q519 K524 H526 L542 D571 L572	I516-Q519 HydrophobicContact CG2-CB 4.08Å; I516-Q519 HydrophobicContact CG2-CG 3.76Å; I516-K524 PolarHBondContact N-O 2.92Å; I516-H526 HydrophobicContact CD1-CB 3.7Å; I516-H526 HydrophobicContact CG1-CB 3.89Å; I516-L542 HydrophobicContact CD1-CD1 4.15Å; I516-D571 HydrophobicContact CD1-CB 4.15Å; I516-D571 HydrophobicContact CG1-CB 4.39Å; I516-D571 HydrophobicContact CG2-CB 4.36Å; I516-L572 WeakPolarHBondContact CA-O 3.37Å
517	V	94.5	Very high	94.7	Very high	37 Å²	37	33.3 Å²	33.3	22%	0.224	19%	0.19	C	C	.	.			trans	-108.2	-13.9	-173	-63	0	0	0	0	115.1	T515 L523 E565 L572 Q574 L578	T515-V517 HydrophobicContact CG2-CG1 4.24Å; V517-L523 HydrophobicContact CB-CD2 4.37Å; V517-L523 HydrophobicContact CG1-CD2 4.2Å; V517-E565 WeakPolarHBondContact CG2-OE1 3.33Å; V517-L572 HydrophobicContact CG2-CB 4.25Å; V517-L572 HydrophobicContact CG2-CD2 4.3Å; V517-L572 HydrophobicContact CG2-CG 4.13Å; V517-L572 WeakPolarHBondContact CG2-O 3.47Å; V517-L572 PolarHBondContact N-O 2.97Å; V517-Q574 HydrophobicContact CG1-CB 3.96Å; V517-Q574 HydrophobicContact CG1-CG 3.98Å; V517-Q574 HydrophobicContact CG2-CG 4.23Å; V517-L578 HydrophobicContact CG1-CD2 3.97Å
518	N	94.1	Very high	94.7	Very high	77 Å²	77	32.6 Å²	32.6	41%	0.412	19%	0.185	S	C	.	.	S	Bend	trans	-101.9	2.7	-175.9	71.6	-32.1	0	0	0	115.6	G520 N570 L572	N518-G520 VanDerWaalsContact C-N 3.33Å; N518-G520 PolarHBondContact O-N 3.48Å; N518-N570 PolarHBondContact ND2-O 3.08Å; N518-L572 HydrophobicContact CB-CB 3.79Å; N518-L572 HydrophobicContact CB-CD2 4.31Å; N518-L572 VanDerWaalsContact CG-CB 3.45Å; N518-L572 PolarHBondContact OD1-N 3.09Å
519	Q	90.3	Very high	94.7	Very high	73 Å²	73	33 Å²	33	34%	0.341	19%	0.185	S	C	.	.	S	Bend	trans	-92.1	20.8	178	-73.5	-166.7	14.4	0	0	114.4	I516 D571	I516-Q519 HydrophobicContact CG2-CB 4.08Å; I516-Q519 HydrophobicContact CG2-CG 3.76Å; Q519-D571 PolarHBondContact NE2-OD1 3.43Å; Q519-D571 PolarHBondContact NE2-OD2 2.87Å
520	G	83	Confident	94.7	Very high	45 Å²	45	31.7 Å²	31.7	46%	0.464	18%	0.18	S	C	.	.			trans	79.8	-171	-174.4	0	0	0	0	0	113.4	N518	N518-G520 VanDerWaalsContact C-N 3.33Å; N518-G520 PolarHBondContact O-N 3.48Å
521	L	80.3	Confident	94.7	Very high	154 Å²	154	31.7 Å²	31.7	81%	0.806	18%	0.179	S	C	*	.	S	Bend	trans	-105.9	148.2	178.4	-66.7	177.6	0	0	0	111.4	L523	L521-L523 HydrophobicContact CD2-CD2 3.87Å; L521-L523 HydrophobicContact CD2-CG 3.99Å
522	P	87.9	Confident	94.6	Very high	107 Å²	107	32.3 Å²	32.3	70%	0.695	18%	0.183	S	C	*	.	S	Bend	cis	-68.2	156.1	-4.3	30.5	-36.4	0	0	0	112.8
523	L	92.3	Very high	94.4	Very high	51 Å²	51	32.8 Å²	32.8	27%	0.267	19%	0.185	S	C	.	.			trans	-58.6	150.5	173.4	-60.8	-179.4	0	0	0	110.5	T515 V517 L521 L578 L579	T515-L523 HydrophobicContact CG2-CB 3.95Å; T515-L523 HydrophobicContact CG2-CD1 4.05Å; T515-L523 HydrophobicContact CG2-CG 4.49Å; V517-L523 HydrophobicContact CB-CD2 4.37Å; V517-L523 HydrophobicContact CG1-CD2 4.2Å; L521-L523 HydrophobicContact CD2-CD2 3.87Å; L521-L523 HydrophobicContact CD2-CG 3.99Å; L523-L578 HydrophobicContact CD1-CD2 4.28Å; L523-L578 HydrophobicContact CD1-CG 4.32Å; L523-L579 HydrophobicContact CB-CD1 4.44Å; L523-L579 HydrophobicContact CB-CD2 4.07Å; L523-L579 WeakPolarHBondContact O-CD2 3.44Å
524	K	94.4	Very high	94.1	Very high	79 Å²	79	34.6 Å²	34.6	34%	0.343	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	128.4	-174.8	-58.3	177.3	-162.8	168.2	0	110.8	I516 L542	I516-K524 PolarHBondContact N-O 2.92Å; K524-L542 HydrophobicContact CB-CD1 4.34Å; K524-L542 HydrophobicContact CD-CD1 3.86Å
525	A	96.4	Very high	93.9	Very high	8 Å²	8	36.1 Å²	36.1	7%	0.066	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	138.1	168.1	0	0	0	0	0	110.5	V513 S514 Y541 L579 I580	V513-A525 HydrophobicContact CG1-CB 4.12Å; S514-A525 CarbonylContact O-C 3.49Å; S514-A525 WeakPolarHBondContact O-CA 3.12Å; A525-Y541 HydrophobicContact CB-CD1 4Å; A525-Y541 HydrophobicContact CB-CE1 4.43Å; A525-L579 HydrophobicContact CB-CD2 4.24Å; A525-I580 HydrophobicContact CB-CD1 3.52Å; A525-I580 HydrophobicContact CB-CG1 4.31Å
526	H	97.8	Very high	93.5	Very high	9 Å²	9	39 Å²	39	4%	0.042	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	127.3	175.8	179.2	-76	0	0	0	110.7	S514 I516 F528 L542 Y547 H573	S514-H526 PolarHBondContact N-O 3.4Å; S514-H526 PolarHBondContact O-N 3.06Å; S514-H526 PolarHBondContact OG-O 3.01Å; I516-H526 HydrophobicContact CD1-CB 3.7Å; I516-H526 HydrophobicContact CG1-CB 3.89Å; H526-F528 AromaticContact CE1-CD1 2.91Å; H526-F528 WeakPolarHBondContact CE1-CD1 3.44Å; H526-F528 AromaticContact CE1-CD2 3.98Å; H526-F528 AromaticContact CE1-CE1 2.72Å; H526-F528 WeakPolarHBondContact CE1-CE1 3.31Å; H526-F528 AromaticContact CE1-CE2 3.85Å; H526-F528 AromaticContact CE1-CG 3.56Å; H526-F528 AromaticContact CE1-CZ 3.26Å; H526-F528 WeakPolarHBondContact CE1-CZ 3.4Å; H526-F528 AromaticContact ND1-CD2 3.82Å; H526-F528 AromaticContact ND1-CE1 3.84Å; H526-F528 AromaticContact ND1-CE2 3.56Å; H526-F528 AromaticContact ND1-CZ 3.57Å; H526-L542 CarbonylContact C-O 3.38Å; H526-L542 VanDerWaalsContact CA-O 3.31Å; H526-L542 WeakPolarHBondContact CA-O 3.48Å; H526-Y547 AromaticContact CE1-CD2 3.43Å; H526-Y547 VanDerWaalsContact CE1-CD2 3.43Å; H526-Y547 WeakPolarHBondContact CE1-CD2 3.33Å; H526-Y547 AromaticContact CE1-CE2 2.84Å; H526-Y547 WeakPolarHBondContact CE1-CE2 3.35Å; H526-Y547 AromaticContact CE1-CZ 3.22Å; H526-Y547 PolarHBondContact CE1-OH 2.79Å; H526-Y547 AromaticContact NE2-CE2 3.48Å; H526-Y547 WeakPolarHBondContact NE2-CE2 3.32Å; H526-Y547 AromaticContact NE2-CZ 3.16Å; H526-Y547 PolarHBondContact NE2-OH 3.47Å; H526-H573 AromaticContact CG-CE1 3.79Å; H526-H573 AromaticContact ND1-CE1 3.81Å
527	V	98.3	Very high	93.3	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	107.1	-171.8	-174.9	0	0	0	0	110	A511 R529 Y541 L542 G543 G544 L586	A511-V527 HydrophobicContact CB-CG1 3.88Å; V527-R529 HydrophobicContact CG1-CB 4.21Å; V527-R529 HydrophobicContact CG1-CG 4.36Å; V527-Y541 HydrophobicContact CG2-CG 4.28Å; V527-L542 PolarHBondContact N-O 3.33Å; V527-G543 CarbonylContact O-C 3.59Å; V527-G543 WeakPolarHBondContact O-CA 3.49Å; V527-G544 PolarHBondContact O-N 2.89Å; V527-G544 VanDerWaalsContact O-N 3.1Å; V527-L586 HydrophobicContact CG2-CD1 3.91Å; V527-L586 HydrophobicContact CG2-CD2 4.04Å; V527-L586 HydrophobicContact CG2-CG 4.36Å
528	F	98.4	Very high	92.9	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	118.9	166.6	-64.3	-78.8	0	0	0	108.7	L498 A511 A512 S514 H526 Y547 A552 A555 L568 H573	L498-F528 HydrophobicContact CD1-CB 3.99Å; L498-F528 HydrophobicContact CD1-CD1 4.4Å; A511-F528 CarbonylContact C-O 3.55Å; A511-F528 WeakPolarHBondContact CA-O 3.31Å; A512-F528 HydrophobicContact CB-CB 4.32Å; A512-F528 PolarHBondContact N-O 3.25Å; A512-F528 PolarHBondContact O-N 3.18Å; S514-F528 VanDerWaalsContact OG-CE2 3.32Å; S514-F528 WeakPolarHBondContact OG-CE2 3.09Å; H526-F528 AromaticContact CE1-CD1 2.91Å; H526-F528 WeakPolarHBondContact CE1-CD1 3.44Å; H526-F528 AromaticContact CE1-CD2 3.98Å; H526-F528 AromaticContact CE1-CE1 2.72Å; H526-F528 WeakPolarHBondContact CE1-CE1 3.31Å; H526-F528 AromaticContact CE1-CE2 3.85Å; H526-F528 AromaticContact CE1-CG 3.56Å; H526-F528 AromaticContact CE1-CZ 3.26Å; H526-F528 WeakPolarHBondContact CE1-CZ 3.4Å; H526-F528 AromaticContact ND1-CD2 3.82Å; H526-F528 AromaticContact ND1-CE1 3.84Å; H526-F528 AromaticContact ND1-CE2 3.56Å; H526-F528 AromaticContact ND1-CZ 3.57Å; F528-Y547 HydrophobicContact CD1-CD1 4.48Å; F528-Y547 AromaticContact CD1-CD2 3.47Å; F528-Y547 HydrophobicContact CD1-CD2 3.47Å; F528-Y547 VanDerWaalsContact CD1-CD2 3.47Å; F528-Y547 HydrophobicContact CD1-CE2 4.04Å; F528-Y547 AromaticContact CD1-CG 3.7Å; F528-Y547 HydrophobicContact CD1-CG 3.7Å; F528-Y547 AromaticContact CE1-CD1 3.99Å; F528-Y547 HydrophobicContact CE1-CD1 3.99Å; F528-Y547 AromaticContact CE1-CD2 3.71Å; F528-Y547 HydrophobicContact CE1-CD2 3.71Å; F528-Y547 HydrophobicContact CE1-CE1 4.28Å; F528-Y547 HydrophobicContact CE1-CE2 4.03Å; F528-Y547 AromaticContact CE1-CG 3.66Å; F528-Y547 HydrophobicContact CE1-CG 3.66Å; F528-A552 HydrophobicContact CB-CB 3.48Å; F528-A552 VanDerWaalsContact CB-CB 3.48Å; F528-A552 HydrophobicContact CD1-CB 4.1Å; F528-A552 HydrophobicContact CD2-CB 4.23Å; F528-A552 HydrophobicContact CG-CB 3.69Å; F528-A555 HydrophobicContact CD2-CB 4.41Å; F528-A555 HydrophobicContact CE2-CB 3.44Å; F528-A555 VanDerWaalsContact CE2-CB 3.44Å; F528-A555 HydrophobicContact CZ-CB 3.74Å; F528-L568 HydrophobicContact CE1-CD2 3.48Å; F528-L568 VanDerWaalsContact CE1-CD2 3.48Å; F528-L568 HydrophobicContact CZ-CD2 3.62Å; F528-H573 AromaticContact CE2-ND1 3.96Å; F528-H573 AromaticContact CZ-CE1 3.62Å; F528-H573 AromaticContact CZ-ND1 3.9Å
529	R	97.7	Very high	92.9	Very high	19 Å²	19	47.9 Å²	47.9	7%	0.072	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	146.5	-168.2	46	175	176.1	-148.9	-8.1	113.3	V510 A511 V527 Y531 G543 G544 C545 E590	V510-R529 WeakPolarHBondContact O-CA 3.22Å; A511-R529 HydrophobicContact CB-CB 4.38Å; V527-R529 HydrophobicContact CG1-CB 4.21Å; V527-R529 HydrophobicContact CG1-CG 4.36Å; R529-Y531 HydrophobicContact CB-CD1 3.91Å; R529-Y531 HydrophobicContact CB-CE1 3.53Å; R529-Y531 HydrophobicContact CB-CE2 4.29Å; R529-Y531 HydrophobicContact CB-CG 4.41Å; R529-Y531 VanDerWaalsContact CD-O 3.27Å; R529-Y531 WeakPolarHBondContact CD-O 3.11Å; R529-Y531 HydrophobicContact CG-CE1 4.45Å; R529-Y531 HydrophobicContact CG-CE2 4.37Å; R529-Y531 WeakPolarHBondContact CG-O 3.25Å; R529-Y531 PolarHBondContact O-N 3.1Å; R529-Y531 VanDerWaalsContact O-N 3.17Å; R529-G543 PolarHBondContact NH2-O 3.43Å; R529-G544 PolarHBondContact N-O 3.49Å; R529-G544 VanDerWaalsContact N-O 3.1Å; R529-C545 WeakPolarHBondContact O-CA 3.31Å; R529-C545 WeakPolarHBondContact O-CB 3.4Å; R529-E590 IonicContact CZ-OE2 3.44Å; R529-E590 IonicContact NH1-OE1 2.78Å; R529-E590 IonicContact NH1-OE2 3.2Å; R529-E590 PolarHBondContact NH1-OE2 3.45Å
530	N	97.6	Very high	93	Very high	2 Å²	2	51.8 Å²	51.8	1%	0.011	29%	0.286	C	S	.	.	S	Bend	trans	-82.8	26	175.2	73	-10.8	0	0	0	115.1	L498 T501 P508 K509 V510	L498-N530 WeakPolarHBondContact O-CB 3.01Å; T501-N530 WeakPolarHBondContact OG1-CB 3.21Å; T501-N530 PolarHBondContact OG1-ND2 3.44Å; T501-N530 VanDerWaalsContact OG1-ND2 3.09Å; P508-N530 PolarHBondContact O-ND2 3.01Å; K509-N530 WeakPolarHBondContact CA-OD1 3.1Å; V510-N530 PolarHBondContact N-OD1 2.83Å; V510-N530 PolarHBondContact O-N 2.82Å; V510-N530 VanDerWaalsContact O-N 3.1Å; V510-N530 PolarHBondContact O-OD1 3.17Å
531	Y	97.4	Very high	93.6	Very high	0 Å²	0	52 Å²	52	0%	0	27%	0.273	C	S	.	.			trans	-152.8	155.5	-177.9	59.9	-91	0	0	0	111.5	H382 Y426 K509 R529 L533 E590 L594	H382-Y531 WeakPolarHBondContact CE1-CB 3.39Å; Y426-Y531 AromaticContact CE2-CE1 3.66Å; Y426-Y531 HydrophobicContact CE2-CE1 3.66Å; Y426-Y531 AromaticContact CE2-CZ 3.71Å; Y426-Y531 WeakPolarHBondContact CE2-OH 3.16Å; Y426-Y531 PolarHBondContact OH-OH 3.21Å; K509-Y531 HydrophobicContact CB-CD1 3.86Å; K509-Y531 HydrophobicContact CB-CE1 4.06Å; K509-Y531 HydrophobicContact CD-CD1 4.03Å; K509-Y531 HydrophobicContact CD-CG 4.35Å; K509-Y531 HydrophobicContact CG-CD1 4.17Å; R529-Y531 HydrophobicContact CB-CD1 3.91Å; R529-Y531 HydrophobicContact CB-CE1 3.53Å; R529-Y531 HydrophobicContact CB-CE2 4.29Å; R529-Y531 HydrophobicContact CB-CG 4.41Å; R529-Y531 VanDerWaalsContact CD-O 3.27Å; R529-Y531 WeakPolarHBondContact CD-O 3.11Å; R529-Y531 HydrophobicContact CG-CE1 4.45Å; R529-Y531 HydrophobicContact CG-CE2 4.37Å; R529-Y531 WeakPolarHBondContact CG-O 3.25Å; R529-Y531 PolarHBondContact O-N 3.1Å; R529-Y531 VanDerWaalsContact O-N 3.17Å; Y531-L533 HydrophobicContact CD2-CD2 4.29Å; Y531-L533 HydrophobicContact CE2-CD2 4.1Å; Y531-E590 WeakPolarHBondContact OH-CB 3.41Å; Y531-E590 PolarHBondContact OH-OE2 2.8Å; Y531-E590 VanDerWaalsContact OH-OE2 3.04Å; Y531-L594 HydrophobicContact CD1-CD1 4.44Å; Y531-L594 HydrophobicContact CD2-CD1 4.23Å; Y531-L594 HydrophobicContact CD2-CD2 3.6Å; Y531-L594 HydrophobicContact CD2-CG 4.15Å; Y531-L594 HydrophobicContact CE1-CD1 4.19Å; Y531-L594 HydrophobicContact CE2-CD1 3.96Å; Y531-L594 HydrophobicContact CE2-CD2 4Å; Y531-L594 HydrophobicContact CE2-CG 4.02Å; Y531-L594 HydrophobicContact CG-CD1 4.49Å; Y531-L594 HydrophobicContact CG-CD2 4.04Å
532	N	96.4	Very high	94.3	Very high	14 Å²	14	48.2 Å²	48.2	8%	0.075	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-103.2	163.5	160	-84.9	-36.3	0	0	0	111.2	A377 L378 G380 H382 C545	A377-N532 WeakPolarHBondContact O-CB 3.29Å; A377-N532 PolarHBondContact O-N 3.04Å; A377-N532 VanDerWaalsContact O-N 3.13Å; L378-N532 VanDerWaalsContact O-CB 3.31Å; L378-N532 WeakPolarHBondContact O-CB 3.4Å; L378-N532 PolarHBondContact O-ND2 2.82Å; G380-N532 VanDerWaalsContact CA-O 3.31Å; G380-N532 WeakPolarHBondContact CA-O 3.4Å; H382-N532 CovalentContact NE2-O 1.78Å; H382-N532 PolarHBondContact NE2-O 2.87Å; N532-C545 PolarHBondContact ND2-SG 3.34Å; N532-C545 VanDerWaalsContact ND2-SG 3.43Å
533	L	95.3	Very high	94.6	Very high	10 Å²	10	44.2 Å²	44.2	5%	0.052	23%	0.231	C	C	.	.	P	Polyproline II helix	trans	-92.6	152.3	168.8	-57.7	175.4	0	0	0	110.6	R345 Y531 V537 C593 L594	R345-L533 PolarHBondContact NH1-O 2.82Å; Y531-L533 HydrophobicContact CD2-CD2 4.29Å; Y531-L533 HydrophobicContact CE2-CD2 4.1Å; L533-V537 HydrophobicContact CB-CB 4.29Å; L533-V537 HydrophobicContact CB-CG1 4.34Å; L533-V537 HydrophobicContact CD1-CG1 4.28Å; L533-C593 HydrophobicContact CD1-CB 3.69Å; L533-C593 HydrophobicContact CD2-CB 3.61Å; L533-C593 HydrophobicContact CG-CB 4.28Å; L533-L594 HydrophobicContact CD2-CD2 4.18Å; L533-L594 HydrophobicContact CD2-CG 4.19Å
534	L	93	Very high	94.7	Very high	39 Å²	39	42 Å²	42	20%	0.204	22%	0.221	C	C	.	.	P	Polyproline II helix	trans	-54.6	140	176.3	-78.9	176	0	0	0	111.5	I354 G380 G536 V537 L724 L728	I354-L534 HydrophobicContact CD1-CD2 4.22Å; G380-L534 WeakPolarHBondContact O-CD2 3.34Å; G380-L534 WeakPolarHBondContact O-CG 2.98Å; L534-G536 PolarHBondContact O-N 3.1Å; L534-V537 HydrophobicContact CB-CG2 4.14Å; L534-V537 PolarHBondContact O-N 3.37Å; L534-L724 HydrophobicContact CD1-CD1 4.2Å; L534-L724 HydrophobicContact CD2-CD1 3.93Å; L534-L728 HydrophobicContact CB-CD2 4.47Å
535	P	91.9	Very high	94.8	Very high	32 Å²	32	38.3 Å²	38.3	21%	0.208	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	112.6	176	-24.5	34.4	0	0	0	111.8	R345 V349 V379	R345-P535 HydrophobicContact CB-CG 4.04Å; V349-P535 HydrophobicContact CG2-CG 4.02Å; V379-P535 WeakPolarHBondContact O-CD 3.35Å
536	G	89.1	Confident	94.7	Very high	62 Å²	62	42.1 Å²	42.1	64%	0.639	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	125.1	-44.5	-172.6	0	0	0	0	0	111	L534	L534-G536 PolarHBondContact O-N 3.1Å
537	V	92.1	Very high	94.6	Very high	54 Å²	54	43.4 Å²	43.4	33%	0.327	23%	0.226	S	C	.	.			trans	-71.5	130.6	171.9	-172.7	0	0	0	0	109.3	L533 L534 C593	L533-V537 HydrophobicContact CB-CB 4.29Å; L533-V537 HydrophobicContact CB-CG1 4.34Å; L533-V537 HydrophobicContact CD1-CG1 4.28Å; L534-V537 HydrophobicContact CB-CG2 4.14Å; L534-V537 PolarHBondContact O-N 3.37Å; V537-C593 HydrophobicContact CG1-CB 3.98Å
538	R	87.9	Confident	94.6	Very high	225 Å²	225	46.1 Å²	46.1	85%	0.849	24%	0.239	S	C	*	.			trans	-122.3	135.8	175.8	-73.5	-179.1	168.1	169.2	-3.5	109.7
539	S	93.4	Very high	94.5	Very high	23 Å²	23	46.4 Å²	46.4	16%	0.161	24%	0.24	C	C	.	.			trans	-76.7	150	164.8	-179.3	0	0	0	0	109.9	Y541 H589 E590	S539-Y541 PolarHBondContact OG-N 3.39Å; S539-Y541 PolarHBondContact OG-O 2.98Å; S539-H589 PolarHBondContact OG-CE1 2.93Å; S539-H589 VanDerWaalsContact OG-CE1 3.25Å; S539-E590 VanDerWaalsContact CB-OE1 3.22Å; S539-E590 WeakPolarHBondContact CB-OE1 2.99Å; S539-E590 PolarHBondContact OG-OE1 3.42Å
540	H	93.3	Very high	94.4	Very high	155 Å²	155	46.6 Å²	46.6	72%	0.718	24%	0.241	S	C	*	.	S	Bend	trans	-62.4	-31.7	163	-179.9	79	0	0	0	112.1	H589	H540-H589 WeakPolarHBondContact CB-NE2 3.44Å; H540-H589 PolarHBondContact N-CE1 3.18Å; H540-H589 VanDerWaalsContact N-CE1 3.33Å; H540-H589 PolarHBondContact N-NE2 3.35Å
541	Y	94.9	Very high	94.3	Very high	50 Å²	50	48.2 Å²	48.2	20%	0.196	25%	0.248	C	C	.	.	S	Bend	trans	-91.3	146.7	-174.7	-52.9	-74.9	0	0	0	112.2	A525 V527 S539 I580 L586 H589	A525-Y541 HydrophobicContact CB-CD1 4Å; A525-Y541 HydrophobicContact CB-CE1 4.43Å; V527-Y541 HydrophobicContact CG2-CG 4.28Å; S539-Y541 PolarHBondContact OG-N 3.39Å; S539-Y541 PolarHBondContact OG-O 2.98Å; Y541-I580 HydrophobicContact CE1-CD1 3.99Å; Y541-L586 HydrophobicContact CD1-CD1 3.88Å; Y541-L586 HydrophobicContact CD2-CD1 3.95Å; Y541-L586 HydrophobicContact CD2-CG 3.81Å; Y541-L586 HydrophobicContact CE1-CD1 3.82Å; Y541-L586 HydrophobicContact CE1-CG 4.37Å; Y541-L586 HydrophobicContact CE2-CB 3.96Å; Y541-L586 HydrophobicContact CE2-CD1 3.91Å; Y541-L586 HydrophobicContact CE2-CG 3.56Å; Y541-L586 HydrophobicContact CG-CD1 3.94Å; Y541-L586 HydrophobicContact CG-CG 4.31Å; Y541-H589 AromaticContact CD2-ND1 3.78Å; Y541-H589 HydrophobicContact CE2-CB 4.23Å; Y541-H589 AromaticContact CE2-CG 3.83Å; Y541-H589 AromaticContact CE2-ND1 3.7Å
542	L	94.2	Very high	94.3	Very high	73 Å²	73	48.2 Å²	48.2	38%	0.382	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68	149.7	167.2	-60.2	179.9	0	0	0	108.8	I516 K524 H526 V527	I516-L542 HydrophobicContact CD1-CD1 4.15Å; K524-L542 HydrophobicContact CB-CD1 4.34Å; K524-L542 HydrophobicContact CD-CD1 3.86Å; H526-L542 CarbonylContact C-O 3.38Å; H526-L542 VanDerWaalsContact CA-O 3.31Å; H526-L542 WeakPolarHBondContact CA-O 3.48Å; V527-L542 PolarHBondContact N-O 3.33Å
543	G	94.3	Very high	94.3	Very high	24 Å²	24	47.7 Å²	47.7	25%	0.247	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	159.4	162.8	-179.5	0	0	0	0	0	115.2	V527 R529	V527-G543 CarbonylContact O-C 3.59Å; V527-G543 WeakPolarHBondContact O-CA 3.49Å; R529-G543 PolarHBondContact NH2-O 3.43Å
544	G	94.3	Very high	94.3	Very high	4 Å²	4	47.4 Å²	47.4	4%	0.041	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168	174.9	-174.2	0	0	0	0	0	113.7	V527 R529	V527-G544 PolarHBondContact O-N 2.89Å; V527-G544 VanDerWaalsContact O-N 3.1Å; R529-G544 PolarHBondContact N-O 3.49Å; R529-G544 VanDerWaalsContact N-O 3.1Å
545	C	96.3	Very high	94.5	Very high	2 Å²	2	45.6 Å²	45.6	1%	0.014	23%	0.234	C	C	.	.	S	Bend	trans	-118	6.4	-173.4	70.7	0	0	0	0	114.6	I497 V499 R529 N532	I497-C545 VanDerWaalsContact CG2-O 3.22Å; I497-C545 WeakPolarHBondContact CG2-O 3.44Å; V499-C545 HydrophobicContact CB-CB 4.02Å; V499-C545 HydrophobicContact CG2-CB 4.41Å; V499-C545 PolarHBondContact N-O 3.48Å; R529-C545 WeakPolarHBondContact O-CA 3.31Å; R529-C545 WeakPolarHBondContact O-CB 3.4Å; N532-C545 PolarHBondContact ND2-SG 3.34Å; N532-C545 VanDerWaalsContact ND2-SG 3.43Å
546	Q	94.9	Very high	94.7	Very high	87 Å²	87	44 Å²	44	41%	0.407	22%	0.224	S	C	.	.			trans	-89.7	-0.7	-177.7	76.6	-76	11.2	0	0	114.2	L339	L339-Q546 HydrophobicContact CD2-CB 3.8Å
547	Y	96.5	Very high	94.9	Very high	37 Å²	37	41.4 Å²	41.4	15%	0.145	20%	0.196	C	C	.	.	S	Bend	trans	-90.4	156.7	-179	-48.7	-81.8	0	0	0	111.5	L498 H526 F528 L568	L498-Y547 HydrophobicContact CD1-CD2 4.34Å; L498-Y547 WeakPolarHBondContact CD1-O 3.5Å; L498-Y547 WeakPolarHBondContact CG-O 3.5Å; L498-Y547 PolarHBondContact N-O 3.4Å; H526-Y547 AromaticContact CE1-CD2 3.43Å; H526-Y547 VanDerWaalsContact CE1-CD2 3.43Å; H526-Y547 WeakPolarHBondContact CE1-CD2 3.33Å; H526-Y547 AromaticContact CE1-CE2 2.84Å; H526-Y547 WeakPolarHBondContact CE1-CE2 3.35Å; H526-Y547 AromaticContact CE1-CZ 3.22Å; H526-Y547 PolarHBondContact CE1-OH 2.79Å; H526-Y547 AromaticContact NE2-CE2 3.48Å; H526-Y547 WeakPolarHBondContact NE2-CE2 3.32Å; H526-Y547 AromaticContact NE2-CZ 3.16Å; H526-Y547 PolarHBondContact NE2-OH 3.47Å; F528-Y547 HydrophobicContact CD1-CD1 4.48Å; F528-Y547 AromaticContact CD1-CD2 3.47Å; F528-Y547 HydrophobicContact CD1-CD2 3.47Å; F528-Y547 VanDerWaalsContact CD1-CD2 3.47Å; F528-Y547 HydrophobicContact CD1-CE2 4.04Å; F528-Y547 AromaticContact CD1-CG 3.7Å; F528-Y547 HydrophobicContact CD1-CG 3.7Å; F528-Y547 AromaticContact CE1-CD1 3.99Å; F528-Y547 HydrophobicContact CE1-CD1 3.99Å; F528-Y547 AromaticContact CE1-CD2 3.71Å; F528-Y547 HydrophobicContact CE1-CD2 3.71Å; F528-Y547 HydrophobicContact CE1-CE1 4.28Å; F528-Y547 HydrophobicContact CE1-CE2 4.03Å; F528-Y547 AromaticContact CE1-CG 3.66Å; F528-Y547 HydrophobicContact CE1-CG 3.66Å; Y547-L568 HydrophobicContact CD1-CD1 4.45Å; Y547-L568 HydrophobicContact CD1-CD2 3.58Å; Y547-L568 HydrophobicContact CD1-CG 4.19Å; Y547-L568 HydrophobicContact CE1-CD2 3.69Å; Y547-L568 HydrophobicContact CE1-CG 4.12Å; Y547-L568 HydrophobicContact CG-CD2 4.41Å
548	Q	97	Very high	94.9	Very high	56 Å²	56	38.9 Å²	38.9	26%	0.262	18%	0.18	S	C	.	.	B	Isolated β-bridge	trans	-78.8	152.3	177.9	-59.4	179.1	-53.9	0	0	111.9	S495 H496 W550 Q551 A552	S495-Q548 WeakPolarHBondContact O-CG 3.48Å; S495-Q548 PolarHBondContact O-NE2 2.79Å; H496-Q548 CarbonylContact O-C 3.5Å; H496-Q548 WeakPolarHBondContact O-CA 3.47Å; Q548-W550 VanDerWaalsContact C-N 3.35Å; Q548-W550 PolarHBondContact O-N 3.1Å; Q548-Q551 HydrophobicContact CB-CB 4.5Å; Q548-Q551 HydrophobicContact CB-CG 4Å; Q548-Q551 WeakPolarHBondContact O-CB 3.44Å; Q548-Q551 PolarHBondContact O-N 3.47Å; Q548-A552 PolarHBondContact O-N 3.24Å; Q548-A552 VanDerWaalsContact O-N 3.13Å
549	L	96.2	Very high	94.8	Very high	6 Å²	6	28.6 Å²	28.6	3%	0.031	14%	0.144	C	C	.	.	H	α-helix	trans	-56.6	-45.6	-178.6	-60.9	179.4	0	0	0	112.5	F438 V442 V493 H496 L498 T501 Q551 A552 I553	F438-L549 HydrophobicContact CD1-CD2 4.12Å; F438-L549 HydrophobicContact CE1-CD2 3.83Å; V442-L549 HydrophobicContact CG1-CD1 3.88Å; V442-L549 HydrophobicContact CG1-CD2 4.36Å; V493-L549 HydrophobicContact CG1-CB 3.58Å; V493-L549 HydrophobicContact CG1-CD1 4.16Å; H496-L549 HydrophobicContact CB-CD1 4.02Å; H496-L549 HydrophobicContact CB-CG 4.32Å; H496-L549 PolarHBondContact O-N 3.43Å; L498-L549 HydrophobicContact CD2-CD2 3.85Å; L498-L549 HydrophobicContact CG-CD2 4.22Å; T501-L549 HydrophobicContact CG2-CD1 4.24Å; T501-L549 HydrophobicContact CG2-CD2 3.88Å; L549-Q551 VanDerWaalsContact C-N 3.3Å; L549-Q551 PolarHBondContact O-N 2.89Å; L549-A552 PolarHBondContact O-N 3.46Å; L549-I553 WeakPolarHBondContact O-CG1 3.26Å; L549-I553 PolarHBondContact O-N 3.07Å
550	W	95.8	Very high	94.4	Very high	24 Å²	24	30.5 Å²	30.5	9%	0.091	16%	0.156	C	C	.	.	H	α-helix	trans	-62.9	-33.7	176.8	76.5	-93.7	0	0	0	112.8	E486 L489 K490 Q548 I553 R554 F566	E486-W550 HydrophobicContact CB-CZ3 4.32Å; E486-W550 HydrophobicContact CG-CE3 4.31Å; E486-W550 HydrophobicContact CG-CZ3 3.89Å; E486-W550 WeakPolarHBondContact OE2-CZ3 2.84Å; L489-W550 HydrophobicContact CB-CB 3.85Å; K490-W550 HydrophobicContact CD-CD2 4.41Å; K490-W550 VanDerWaalsContact CE-CH2 3.49Å; K490-W550 HydrophobicContact CG-CB 4.34Å; K490-W550 HydrophobicContact CG-CD2 3.78Å; K490-W550 HydrophobicContact CG-CE3 4.3Å; K490-W550 HydrophobicContact CG-CG 3.79Å; Q548-W550 VanDerWaalsContact C-N 3.35Å; Q548-W550 PolarHBondContact O-N 3.1Å; W550-I553 PolarHBondContact O-N 2.97Å; W550-R554 HydrophobicContact CE3-CB 4.26Å; W550-R554 HydrophobicContact CZ3-CG 4.48Å; W550-R554 WeakPolarHBondContact O-CB 2.72Å; W550-R554 PolarHBondContact O-N 3.49Å; W550-F566 HydrophobicContact CH2-CE2 4.27Å; W550-F566 HydrophobicContact CH2-CZ 4.12Å; W550-F566 AromaticContact CZ3-CE2 3.92Å; W550-F566 HydrophobicContact CZ3-CE2 3.92Å; W550-F566 AromaticContact CZ3-CZ 3.93Å; W550-F566 HydrophobicContact CZ3-CZ 3.93Å
551	Q	96.9	Very high	93.6	Very high	35 Å²	35	24.8 Å²	24.8	16%	0.164	14%	0.139	C	C	.	.	H	α-helix	trans	-67.9	-43.5	178.7	-64.8	173.8	-25.3	0	0	111.2	Q548 L549 I553 R554 A555 F566	Q548-Q551 HydrophobicContact CB-CB 4.5Å; Q548-Q551 HydrophobicContact CB-CG 4Å; Q548-Q551 WeakPolarHBondContact O-CB 3.44Å; Q548-Q551 PolarHBondContact O-N 3.47Å; L549-Q551 VanDerWaalsContact C-N 3.3Å; L549-Q551 PolarHBondContact O-N 2.89Å; Q551-I553 VanDerWaalsContact C-N 3.31Å; Q551-I553 PolarHBondContact O-N 2.77Å; Q551-R554 PolarHBondContact O-N 3.37Å; Q551-A555 VanDerWaalsContact O-CB 3.28Å; Q551-A555 WeakPolarHBondContact O-CB 2.91Å; Q551-A555 PolarHBondContact O-N 2.83Å; Q551-F566 HydrophobicContact CB-CE1 4.12Å; Q551-F566 HydrophobicContact CB-CZ 4.24Å; Q551-F566 HydrophobicContact CG-CE1 4.48Å; Q551-F566 HydrophobicContact CG-CZ 4.16Å
552	A	97.3	Very high	92.9	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-58.2	-44.9	176.6	0	0	0	0	0	111.5	F438 L498 A512 F528 Q548 L549 T556	F438-A552 HydrophobicContact CE1-CB 4.19Å; F438-A552 HydrophobicContact CZ-CB 4.14Å; L498-A552 HydrophobicContact CD1-CB 4.42Å; L498-A552 HydrophobicContact CD2-CB 4.3Å; A512-A552 HydrophobicContact CB-CB 4.48Å; F528-A552 HydrophobicContact CB-CB 3.48Å; F528-A552 VanDerWaalsContact CB-CB 3.48Å; F528-A552 HydrophobicContact CD1-CB 4.1Å; F528-A552 HydrophobicContact CD2-CB 4.23Å; F528-A552 HydrophobicContact CG-CB 3.69Å; Q548-A552 PolarHBondContact O-N 3.24Å; Q548-A552 VanDerWaalsContact O-N 3.13Å; L549-A552 PolarHBondContact O-N 3.46Å; A552-T556 WeakPolarHBondContact O-CB 3.21Å; A552-T556 VanDerWaalsContact O-CG2 3.25Å; A552-T556 WeakPolarHBondContact O-CG2 3.12Å; A552-T556 PolarHBondContact O-N 2.86Å
553	I	95.9	Very high	92.3	Very high	3 Å²	3	23 Å²	23	2%	0.015	13%	0.127	C	C	.	.	H	α-helix	trans	-72.3	-40.1	179.8	-62.2	173	0	0	0	111.7	V435 F438 W485 L489 V493 L549 W550 Q551 A555 T556 S557	V435-I553 HydrophobicContact CG2-CG2 3.52Å; F438-I553 HydrophobicContact CB-CD1 3.9Å; F438-I553 HydrophobicContact CD1-CD1 3.85Å; F438-I553 HydrophobicContact CD1-CG1 4.04Å; F438-I553 HydrophobicContact CE1-CG1 4.42Å; F438-I553 HydrophobicContact CG-CD1 4Å; F438-I553 HydrophobicContact CG-CG1 4.2Å; W485-I553 HydrophobicContact CZ2-CG2 4.18Å; L489-I553 HydrophobicContact CD1-CB 4.22Å; L489-I553 HydrophobicContact CD1-CG2 3.95Å; L489-I553 HydrophobicContact CD2-CB 4.09Å; L489-I553 HydrophobicContact CD2-CD1 4.47Å; L489-I553 HydrophobicContact CD2-CG2 3.5Å; L489-I553 VanDerWaalsContact CD2-CG2 3.5Å; L489-I553 HydrophobicContact CG-CG2 4.39Å; V493-I553 HydrophobicContact CB-CD1 4.41Å; V493-I553 HydrophobicContact CG1-CD1 3.79Å; V493-I553 HydrophobicContact CG2-CD1 3.93Å; L549-I553 WeakPolarHBondContact O-CG1 3.26Å; L549-I553 PolarHBondContact O-N 3.07Å; W550-I553 PolarHBondContact O-N 2.97Å; Q551-I553 VanDerWaalsContact C-N 3.31Å; Q551-I553 PolarHBondContact O-N 2.77Å; I553-A555 VanDerWaalsContact C-N 3.3Å; I553-A555 PolarHBondContact O-N 2.85Å; I553-T556 WeakPolarHBondContact O-CG2 3.12Å; I553-S557 WeakPolarHBondContact O-CB 3.01Å; I553-S557 PolarHBondContact O-N 3.2Å; I553-S557 VanDerWaalsContact O-N 3.16Å; I553-S557 PolarHBondContact O-OG 2.34Å
554	R	95.4	Very high	92	Very high	5 Å²	5	26.5 Å²	26.5	2%	0.019	14%	0.138	C	C	.	.	H	α-helix	trans	-64.3	-34	176.6	173.3	58.9	-177.5	97.6	4.9	112.9	E486 L489 W550 Q551 Q564 F566	E486-R554 HydrophobicContact CG-CB 4.44Å; E486-R554 VanDerWaalsContact CG-CD 3.43Å; E486-R554 HydrophobicContact CG-CG 3.67Å; E486-R554 IonicContact OE1-CZ 2.65Å; E486-R554 IonicContact OE1-NE 2.95Å; E486-R554 PolarHBondContact OE1-NE 2.95Å; E486-R554 IonicContact OE1-NH2 3.06Å; L489-R554 HydrophobicContact CD1-CB 3.86Å; W550-R554 HydrophobicContact CE3-CB 4.26Å; W550-R554 HydrophobicContact CZ3-CG 4.48Å; W550-R554 WeakPolarHBondContact O-CB 2.72Å; W550-R554 PolarHBondContact O-N 3.49Å; Q551-R554 PolarHBondContact O-N 3.37Å; R554-Q564 PolarHBondContact NH1-O 3.38Å; R554-Q564 PolarHBondContact NH2-O 3.41Å; R554-F566 HydrophobicContact CB-CD2 4.46Å; R554-F566 HydrophobicContact CB-CE2 4.44Å; R554-F566 HydrophobicContact CG-CB 4.34Å; R554-F566 HydrophobicContact CG-CD1 4.36Å; R554-F566 HydrophobicContact CG-CD2 3.35Å; R554-F566 HydrophobicContact CG-CE2 3.59Å; R554-F566 HydrophobicContact CG-CG 3.77Å; R554-F566 HydrophobicContact CG-CZ 4.18Å
555	A	96.6	Very high	91.9	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-75.5	-49.2	177	0	0	0	0	0	112.4	F528 Q551 I553 S557 A558 F566 H573 Q574	F528-A555 HydrophobicContact CD2-CB 4.41Å; F528-A555 HydrophobicContact CE2-CB 3.44Å; F528-A555 VanDerWaalsContact CE2-CB 3.44Å; F528-A555 HydrophobicContact CZ-CB 3.74Å; Q551-A555 VanDerWaalsContact O-CB 3.28Å; Q551-A555 WeakPolarHBondContact O-CB 2.91Å; Q551-A555 PolarHBondContact O-N 2.83Å; I553-A555 VanDerWaalsContact C-N 3.3Å; I553-A555 PolarHBondContact O-N 2.85Å; A555-S557 VanDerWaalsContact C-N 3.26Å; A555-S557 PolarHBondContact O-N 3.31Å; A555-A558 WeakPolarHBondContact O-CB 3.43Å; A555-A558 PolarHBondContact O-N 2.89Å; A555-F566 HydrophobicContact CB-CD1 3.82Å; A555-F566 HydrophobicContact CB-CE1 4.49Å; A555-H573 HydrophobicContact CB-CB 3.91Å; A555-Q574 CarbonylContact O-C 3.6Å
556	T	96.7	Very high	91.8	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-66.4	-24.2	-178.6	-171.9	0	0	0	0	113.5	S431 A434 A512 V513 A552 I553 D575 G576	S431-T556 VanDerWaalsContact CA-O 3.28Å; S431-T556 WeakPolarHBondContact CA-O 3.3Å; S431-T556 PolarHBondContact N-O 3.45Å; S431-T556 PolarHBondContact N-OG1 2.99Å; A434-T556 HydrophobicContact CB-CG2 3.53Å; A512-T556 HydrophobicContact CB-CG2 4.1Å; V513-T556 VanDerWaalsContact O-CB 3.27Å; V513-T556 WeakPolarHBondContact O-CB 3.28Å; V513-T556 PolarHBondContact O-OG1 3.5Å; A552-T556 WeakPolarHBondContact O-CB 3.21Å; A552-T556 VanDerWaalsContact O-CG2 3.25Å; A552-T556 WeakPolarHBondContact O-CG2 3.12Å; A552-T556 PolarHBondContact O-N 2.86Å; I553-T556 WeakPolarHBondContact O-CG2 3.12Å; T556-D575 VanDerWaalsContact O-CA 3.28Å; T556-D575 WeakPolarHBondContact O-CA 3.4Å; T556-G576 PolarHBondContact O-N 3.36Å
557	S	92.9	Very high	91.9	Very high	7 Å²	7	34 Å²	34	5%	0.049	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.2	11.7	179.7	90.1	0	0	0	0	114.8	W485 I553 A555 A559 F563 D575	W485-S557 PolarHBondContact NE1-OG 3.45Å; I553-S557 WeakPolarHBondContact O-CB 3.01Å; I553-S557 PolarHBondContact O-N 3.2Å; I553-S557 VanDerWaalsContact O-N 3.16Å; I553-S557 PolarHBondContact O-OG 2.34Å; A555-S557 VanDerWaalsContact C-N 3.26Å; A555-S557 PolarHBondContact O-N 3.31Å; S557-A559 PolarHBondContact O-N 3.37Å; S557-F563 WeakPolarHBondContact O-CD2 3.49Å; S557-D575 WeakPolarHBondContact CA-OD2 3.4Å
558	A	91.6	Very high	91.7	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.169	C	C	.	.			trans	-78.3	65.7	-175	0	0	0	0	0	111.6	A555 Q574 D575	A555-A558 WeakPolarHBondContact O-CB 3.43Å; A555-A558 PolarHBondContact O-N 2.89Å; A558-Q574 PolarHBondContact O-NE2 3.08Å; A558-Q574 PolarHBondContact O-OE1 3.44Å; A558-D575 PolarHBondContact O-N 3.26Å
559	A	87.4	Confident	91.4	Very high	10 Å²	10	33.7 Å²	33.7	8%	0.083	19%	0.185	C	C	.	.			trans	-72	134.4	-169.3	0	0	0	0	0	112.9	S557 G561 Y562 F563 D575	S557-A559 PolarHBondContact O-N 3.37Å; A559-G561 PolarHBondContact O-N 2.85Å; A559-Y562 HydrophobicContact CB-CD2 3.98Å; A559-Y562 HydrophobicContact CB-CG 4.35Å; A559-Y562 PolarHBondContact O-N 2.87Å; A559-F563 PolarHBondContact O-N 2.93Å; A559-D575 HydrophobicContact CB-CB 4.16Å
560	P	83.8	Confident	91.2	Very high	62 Å²	62	40.5 Å²	40.5	40%	0.403	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	129.1	-177.3	-20.8	24.3	0	0	0	112.8	Y562 Q574 L578	P560-Y562 WeakPolarHBondContact O-CD2 3.49Å; P560-Y562 PolarHBondContact O-N 2.85Å; P560-Y562 VanDerWaalsContact O-N 3.1Å; P560-Q574 VanDerWaalsContact CA-OE1 3.28Å; P560-L578 HydrophobicContact CG-CD1 4.42Å
561	G	76.9	Confident	91.2	Very high	36 Å²	36	41 Å²	41	37%	0.371	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.4	-23	-177.9	0	0	0	0	0	115.1	F479 A559	F479-G561 WeakPolarHBondContact CB-O 3.44Å; F479-G561 PolarHBondContact N-O 3.3Å; A559-G561 PolarHBondContact O-N 2.85Å
562	Y	79.4	Confident	91.1	Very high	69 Å²	69	41.2 Å²	41.2	27%	0.271	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-56	173.4	-67.3	-90.4	0	0	0	111.1	F479 Y480 A559 P560 D668	F479-Y562 PolarHBondContact N-O 2.81Å; Y480-Y562 HydrophobicContact CD2-CD1 4.07Å; Y480-Y562 AromaticContact CE2-CD1 3.74Å; Y480-Y562 HydrophobicContact CE2-CD1 3.74Å; Y480-Y562 HydrophobicContact CE2-CE1 4.39Å; Y480-Y562 PolarHBondContact N-O 3.45Å; A559-Y562 HydrophobicContact CB-CD2 3.98Å; A559-Y562 HydrophobicContact CB-CG 4.35Å; A559-Y562 PolarHBondContact O-N 2.87Å; P560-Y562 WeakPolarHBondContact O-CD2 3.49Å; P560-Y562 PolarHBondContact O-N 2.85Å; P560-Y562 VanDerWaalsContact O-N 3.1Å; Y562-D668 HydrophobicContact CD1-CB 4.28Å; Y562-D668 HydrophobicContact CE1-CB 3.78Å
563	F	82.7	Confident	91.1	Very high	15 Å²	15	41.2 Å²	41.2	7%	0.066	23%	0.228	C	C	.	.	S	Bend	trans	-125.2	153.4	-175.7	-61.1	-76.6	0	0	0	111.5	V461 F462 W485 S557 A559	V461-F563 HydrophobicContact CG1-CE1 3.71Å; V461-F563 HydrophobicContact CG1-CZ 3.52Å; F462-F563 HydrophobicContact CE1-CE2 4.05Å; F462-F563 AromaticContact CE1-CZ 3.7Å; F462-F563 HydrophobicContact CE1-CZ 3.7Å; F462-F563 HydrophobicContact CZ-CE2 4.36Å; F462-F563 HydrophobicContact CZ-CZ 4.17Å; W485-F563 HydrophobicContact CB-CE1 4.41Å; W485-F563 HydrophobicContact CG-CE1 4.46Å; S557-F563 WeakPolarHBondContact O-CD2 3.49Å; A559-F563 PolarHBondContact O-N 2.93Å
564	Q	87.4	Confident	91.1	Very high	99 Å²	99	41.8 Å²	41.8	46%	0.463	23%	0.231	S	C	.	.			trans	-71.5	145.6	176.7	-168.2	174.3	3.6	0	0	110.6	A478 S482 R554 F566	A478-Q564 HydrophobicContact CB-CB 4.21Å; S482-Q564 PolarHBondContact OG-N 3.1Å; S482-Q564 VanDerWaalsContact OG-N 3.1Å; R554-Q564 PolarHBondContact NH1-O 3.38Å; R554-Q564 PolarHBondContact NH2-O 3.41Å; Q564-F566 PolarHBondContact O-N 3.18Å
565	E	92.2	Very high	91.1	Very high	88 Å²	88	41.8 Å²	41.8	41%	0.411	23%	0.231	S	C	.	.			trans	-46.8	133.9	169.1	-56.5	174.9	116.8	0	0	111.5	V517 L572 H573 Q574	V517-E565 WeakPolarHBondContact CG2-OE1 3.33Å; E565-L572 HydrophobicContact CB-CD1 3.6Å; E565-L572 HydrophobicContact CB-CD2 4.41Å; E565-L572 HydrophobicContact CB-CG 3.86Å; E565-L572 HydrophobicContact CG-CG 4.43Å; E565-H573 WeakPolarHBondContact CA-O 3Å; E565-Q574 HydrophobicContact CG-CG 4.02Å
566	F	95.2	Very high	90.9	Very high	14 Å²	14	41.8 Å²	41.8	6%	0.061	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	111.1	-179.9	-175.8	-112.9	0	0	0	110.2	W550 Q551 R554 A555 Q564 L568 H573	W550-F566 HydrophobicContact CH2-CE2 4.27Å; W550-F566 HydrophobicContact CH2-CZ 4.12Å; W550-F566 AromaticContact CZ3-CE2 3.92Å; W550-F566 HydrophobicContact CZ3-CE2 3.92Å; W550-F566 AromaticContact CZ3-CZ 3.93Å; W550-F566 HydrophobicContact CZ3-CZ 3.93Å; Q551-F566 HydrophobicContact CB-CE1 4.12Å; Q551-F566 HydrophobicContact CB-CZ 4.24Å; Q551-F566 HydrophobicContact CG-CE1 4.48Å; Q551-F566 HydrophobicContact CG-CZ 4.16Å; R554-F566 HydrophobicContact CB-CD2 4.46Å; R554-F566 HydrophobicContact CB-CE2 4.44Å; R554-F566 HydrophobicContact CG-CB 4.34Å; R554-F566 HydrophobicContact CG-CD1 4.36Å; R554-F566 HydrophobicContact CG-CD2 3.35Å; R554-F566 HydrophobicContact CG-CE2 3.59Å; R554-F566 HydrophobicContact CG-CG 3.77Å; R554-F566 HydrophobicContact CG-CZ 4.18Å; A555-F566 HydrophobicContact CB-CD1 3.82Å; A555-F566 HydrophobicContact CB-CE1 4.49Å; Q564-F566 PolarHBondContact O-N 3.18Å; F566-L568 HydrophobicContact CD1-CB 4.29Å; F566-L568 HydrophobicContact CE1-CB 4.09Å; F566-L568 HydrophobicContact CE1-CD1 3.99Å; F566-L568 HydrophobicContact CE1-CD2 4.2Å; F566-L568 HydrophobicContact CE1-CG 4.33Å; F566-L568 HydrophobicContact CZ-CD1 4.43Å; F566-H573 HydrophobicContact CB-CB 4.44Å; F566-H573 PolarHBondContact N-O 2.95Å; F566-H573 WeakPolarHBondContact O-CB 3.35Å; F566-H573 PolarHBondContact O-N 2.88Å
567	K	95.3	Very high	90.6	Very high	149 Å²	149	42 Å²	42	65%	0.648	23%	0.233	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-81.7	122	176.5	-176.2	-178.7	175.8	-178.1	0	110.4	G569 D571 L572	K567-G569 WeakPolarHBondContact CE-O 3.18Å; K567-D571 WeakPolarHBondContact CA-O 3.35Å; K567-L572 HydrophobicContact CB-CD1 4.01Å
568	L	94.1	Very high	90.5	Very high	27 Å²	27	44 Å²	44	14%	0.141	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	97.1	179.2	-168.2	56.7	0	0	0	110	F528 Y547 F566 N570 D571	F528-L568 HydrophobicContact CE1-CD2 3.48Å; F528-L568 VanDerWaalsContact CE1-CD2 3.48Å; F528-L568 HydrophobicContact CZ-CD2 3.62Å; Y547-L568 HydrophobicContact CD1-CD1 4.45Å; Y547-L568 HydrophobicContact CD1-CD2 3.58Å; Y547-L568 HydrophobicContact CD1-CG 4.19Å; Y547-L568 HydrophobicContact CE1-CD2 3.69Å; Y547-L568 HydrophobicContact CE1-CG 4.12Å; Y547-L568 HydrophobicContact CG-CD2 4.41Å; F566-L568 HydrophobicContact CD1-CB 4.29Å; F566-L568 HydrophobicContact CE1-CB 4.09Å; F566-L568 HydrophobicContact CE1-CD1 3.99Å; F566-L568 HydrophobicContact CE1-CD2 4.2Å; F566-L568 HydrophobicContact CE1-CG 4.33Å; F566-L568 HydrophobicContact CZ-CD1 4.43Å; L568-N570 PolarHBondContact O-N 3.14Å; L568-D571 PolarHBondContact N-O 3.49Å; L568-D571 PolarHBondContact O-N 3.39Å; L568-D571 VanDerWaalsContact O-N 3.15Å
569	G	90.3	Very high	90.5	Very high	59 Å²	59	47.4 Å²	47.4	61%	0.608	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.3	-113.3	-170.6	0	0	0	0	0	111.4	K567	K567-G569 WeakPolarHBondContact CE-O 3.18Å
570	N	91.4	Very high	90.7	Very high	148 Å²	148	48.3 Å²	48.3	79%	0.791	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.5	-16.3	176.5	-70	-18.5	0	0	0	113.3	N518 L568	N518-N570 PolarHBondContact ND2-O 3.08Å; L568-N570 PolarHBondContact O-N 3.14Å
571	D	95.3	Very high	91.2	Very high	35 Å²	35	46.2 Å²	46.2	19%	0.187	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	147.5	-174.4	-67.4	-30.1	0	0	0	111.3	I516 Q519 K567 L568	I516-D571 HydrophobicContact CD1-CB 4.15Å; I516-D571 HydrophobicContact CG1-CB 4.39Å; I516-D571 HydrophobicContact CG2-CB 4.36Å; Q519-D571 PolarHBondContact NE2-OD1 3.43Å; Q519-D571 PolarHBondContact NE2-OD2 2.87Å; K567-D571 WeakPolarHBondContact CA-O 3.35Å; L568-D571 PolarHBondContact N-O 3.49Å; L568-D571 PolarHBondContact O-N 3.39Å; L568-D571 VanDerWaalsContact O-N 3.15Å
572	L	96	Very high	92.2	Very high	39 Å²	39	44.6 Å²	44.6	20%	0.204	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	114.9	-179	-167.6	59.9	0	0	0	108.4	I516 V517 N518 E565 K567	I516-L572 WeakPolarHBondContact CA-O 3.37Å; V517-L572 HydrophobicContact CG2-CB 4.25Å; V517-L572 HydrophobicContact CG2-CD2 4.3Å; V517-L572 HydrophobicContact CG2-CG 4.13Å; V517-L572 WeakPolarHBondContact CG2-O 3.47Å; V517-L572 PolarHBondContact N-O 2.97Å; N518-L572 HydrophobicContact CB-CB 3.79Å; N518-L572 HydrophobicContact CB-CD2 4.31Å; N518-L572 VanDerWaalsContact CG-CB 3.45Å; N518-L572 PolarHBondContact OD1-N 3.09Å; E565-L572 HydrophobicContact CB-CD1 3.6Å; E565-L572 HydrophobicContact CB-CD2 4.41Å; E565-L572 HydrophobicContact CB-CG 3.86Å; E565-L572 HydrophobicContact CG-CG 4.43Å; K567-L572 HydrophobicContact CB-CD1 4.01Å
573	H	96.9	Very high	93.1	Very high	1 Å²	1	41.3 Å²	41.3	1%	0.005	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	134.5	-172.3	-63.2	-104.4	0	0	0	111.9	S514 T515 H526 F528 A555 E565 F566	S514-H573 PolarHBondContact OG-ND1 2.89Å; T515-H573 WeakPolarHBondContact O-CA 3.21Å; H526-H573 AromaticContact CG-CE1 3.79Å; H526-H573 AromaticContact ND1-CE1 3.81Å; F528-H573 AromaticContact CE2-ND1 3.96Å; F528-H573 AromaticContact CZ-CE1 3.62Å; F528-H573 AromaticContact CZ-ND1 3.9Å; A555-H573 HydrophobicContact CB-CB 3.91Å; E565-H573 WeakPolarHBondContact CA-O 3Å; F566-H573 HydrophobicContact CB-CB 4.44Å; F566-H573 PolarHBondContact N-O 2.95Å; F566-H573 WeakPolarHBondContact O-CB 3.35Å; F566-H573 PolarHBondContact O-N 2.88Å
574	Q	95.4	Very high	93.8	Very high	14 Å²	14	40.6 Å²	40.6	7%	0.065	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	170.7	163.1	-81.6	-78.5	-76.7	0	0	109.5	T515 V517 A555 A558 P560 E565 L578	T515-Q574 PolarHBondContact N-O 2.92Å; T515-Q574 PolarHBondContact O-N 2.84Å; V517-Q574 HydrophobicContact CG1-CB 3.96Å; V517-Q574 HydrophobicContact CG1-CG 3.98Å; V517-Q574 HydrophobicContact CG2-CG 4.23Å; A555-Q574 CarbonylContact O-C 3.6Å; A558-Q574 PolarHBondContact O-NE2 3.08Å; A558-Q574 PolarHBondContact O-OE1 3.44Å; P560-Q574 VanDerWaalsContact CA-OE1 3.28Å; E565-Q574 HydrophobicContact CG-CG 4.02Å; Q574-L578 HydrophobicContact CB-CD2 3.96Å; Q574-L578 HydrophobicContact CG-CD2 4.48Å
575	D	95.1	Very high	94.3	Very high	6 Å²	6	37.7 Å²	37.7	3%	0.032	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-50.8	143.8	178.2	-166	-60.9	0	0	0	112.5	S431 T515 T556 S557 A558 A559 G577 L578	S431-D575 WeakPolarHBondContact CB-OD1 3.25Å; S431-D575 WeakPolarHBondContact CB-OD2 3.44Å; S431-D575 PolarHBondContact OG-OD2 3.25Å; T515-D575 WeakPolarHBondContact CB-O 3.31Å; T515-D575 PolarHBondContact OG1-O 3.38Å; T556-D575 VanDerWaalsContact O-CA 3.28Å; T556-D575 WeakPolarHBondContact O-CA 3.4Å; S557-D575 WeakPolarHBondContact CA-OD2 3.4Å; A558-D575 PolarHBondContact O-N 3.26Å; A559-D575 HydrophobicContact CB-CB 4.16Å; D575-G577 PolarHBondContact O-N 3.07Å; D575-G577 PolarHBondContact OD1-N 3.17Å; D575-L578 WeakPolarHBondContact O-CB 3.36Å; D575-L578 PolarHBondContact O-N 3.45Å
576	G	93.3	Very high	94.6	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-61.4	-30.2	177.5	0	0	0	0	0	112.7	V513 T556 L578 L579 I580	V513-G576 VanDerWaalsContact O-CA 3.29Å; V513-G576 WeakPolarHBondContact O-CA 3.32Å; T556-G576 PolarHBondContact O-N 3.36Å; G576-L578 PolarHBondContact O-N 3.12Å; G576-L578 VanDerWaalsContact O-N 3.13Å; G576-L579 PolarHBondContact O-N 3.26Å; G576-L579 VanDerWaalsContact O-N 3.08Å; G576-I580 CarbonylContact O-C 3.54Å; G576-I580 PolarHBondContact O-N 3.2Å
577	G	90.6	Very high	94.8	Very high	4 Å²	4	32.9 Å²	32.9	4%	0.041	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-64.3	-15.6	-179.5	0	0	0	0	0	114.7	V430 D575 L579 T636	V430-G577 VanDerWaalsContact CG1-N 3.25Å; D575-G577 PolarHBondContact O-N 3.07Å; D575-G577 PolarHBondContact OD1-N 3.17Å; G577-L579 PolarHBondContact O-N 3.32Å; G577-T636 WeakPolarHBondContact O-CG2 3.18Å
578	L	90.1	Very high	94.9	Very high	49 Å²	49	26.9 Å²	26.9	26%	0.257	16%	0.162	S	C	.	.	G	3₁₀ helix	trans	-65.4	-19.8	172.3	-177.5	60.5	0	0	0	113.2	T515 V517 L523 P560 Q574 D575 G576	T515-L578 HydrophobicContact CG2-CB 4.46Å; T515-L578 HydrophobicContact CG2-CD2 4.18Å; T515-L578 HydrophobicContact CG2-CG 4.42Å; V517-L578 HydrophobicContact CG1-CD2 3.97Å; L523-L578 HydrophobicContact CD1-CD2 4.28Å; L523-L578 HydrophobicContact CD1-CG 4.32Å; P560-L578 HydrophobicContact CG-CD1 4.42Å; Q574-L578 HydrophobicContact CB-CD2 3.96Å; Q574-L578 HydrophobicContact CG-CD2 4.48Å; D575-L578 WeakPolarHBondContact O-CB 3.36Å; D575-L578 PolarHBondContact O-N 3.45Å; G576-L578 PolarHBondContact O-N 3.12Å; G576-L578 VanDerWaalsContact O-N 3.13Å
579	L	91	Very high	95.1	Very high	71 Å²	71	28.3 Å²	28.3	37%	0.372	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-138.2	-33.5	-176.5	-176	64.1	0	0	0	114	T515 L523 A525 G576 G577	T515-L579 HydrophobicContact CG2-CB 3.94Å; T515-L579 HydrophobicContact CG2-CD2 4.21Å; L523-L579 HydrophobicContact CB-CD1 4.44Å; L523-L579 HydrophobicContact CB-CD2 4.07Å; L523-L579 WeakPolarHBondContact O-CD2 3.44Å; A525-L579 HydrophobicContact CB-CD2 4.24Å; G576-L579 PolarHBondContact O-N 3.26Å; G576-L579 VanDerWaalsContact O-N 3.08Å; G577-L579 PolarHBondContact O-N 3.32Å
580	I	92.6	Very high	95.5	Very high	30 Å²	30	25.5 Å²	25.5	15%	0.154	14%	0.139	C	C	.	.			trans	-142.1	83.7	-179.4	-52.5	-176.4	0	0	0	107.8	V430 A525 Y541 G576 N582 P583 L586	V430-I580 WeakPolarHBondContact CG2-O 3.34Å; A525-I580 HydrophobicContact CB-CD1 3.52Å; A525-I580 HydrophobicContact CB-CG1 4.31Å; Y541-I580 HydrophobicContact CE1-CD1 3.99Å; G576-I580 CarbonylContact O-C 3.54Å; G576-I580 PolarHBondContact O-N 3.2Å; I580-N582 WeakPolarHBondContact CG2-O 3.43Å; I580-P583 HydrophobicContact CG2-CB 4.46Å; I580-L586 HydrophobicContact CD1-CD1 3.76Å
581	N	94.8	Very high	95.8	Very high	17 Å²	17	18.5 Å²	18.5	9%	0.091	10%	0.101	C	C	.	.	S	Bend	trans	-78.1	-30.9	178.9	-164.4	37.6	0	0	0	113.6	D396 G397 P583 T636 T638	D396-N581 VanDerWaalsContact CA-O 3.25Å; D396-N581 WeakPolarHBondContact CA-O 3.5Å; D396-N581 WeakPolarHBondContact CB-O 3.27Å; G397-N581 WeakPolarHBondContact CA-OD1 3.3Å; G397-N581 PolarHBondContact N-O 3.37Å; G397-N581 VanDerWaalsContact N-O 3.16Å; G397-N581 PolarHBondContact N-OD1 3.31Å; G397-N581 PolarHBondContact O-ND2 2.88Å; G397-N581 PolarHBondContact O-OD1 3.39Å; G397-N581 VanDerWaalsContact O-OD1 3.09Å; N581-P583 WeakPolarHBondContact O-CD 3.45Å; N581-T636 WeakPolarHBondContact CB-O 3.41Å; N581-T636 PolarHBondContact ND2-O 2.83Å; N581-T638 HydrophobicContact CB-CG2 4.13Å; N581-T638 WeakPolarHBondContact ND2-CG2 3.35Å
582	N	97.2	Very high	95.8	Very high	2 Å²	2	20.5 Å²	20.5	1%	0.011	11%	0.109	C	C	.	.	S	Bend	trans	-102.8	100.9	169	176.3	-13.4	0	0	0	109.4	D396 I580 T584 T638 V641	D396-N582 WeakPolarHBondContact OD1-CA 3.39Å; I580-N582 WeakPolarHBondContact CG2-O 3.43Å; N582-T584 PolarHBondContact O-N 2.65Å; N582-T584 VanDerWaalsContact O-N 3.16Å; N582-T584 VanDerWaalsContact OD1-CB 3.25Å; N582-T584 WeakPolarHBondContact OD1-CB 3.5Å; N582-T584 PolarHBondContact OD1-N 2.78Å; N582-T584 VanDerWaalsContact OD1-N 3.11Å; N582-T584 PolarHBondContact OD1-OG1 3.26Å; N582-T638 HydrophobicContact CB-CG2 4.04Å; N582-T638 PolarHBondContact ND2-O 3.41Å; N582-V641 HydrophobicContact CB-CB 4.15Å; N582-V641 HydrophobicContact CB-CG1 4.23Å; N582-V641 HydrophobicContact CB-CG2 4.49Å
583	P	97.8	Very high	95.9	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79	8.7	-173.8	29.2	-30.3	0	0	0	114.5	S394 C428 V430 V513 I580 N581 A585 L586 A587	S394-P583 WeakPolarHBondContact OG-CG 3.4Å; C428-P583 HydrophobicContact CB-CB 4.45Å; C428-P583 HydrophobicContact CB-CG 4.5Å; V430-P583 HydrophobicContact CB-CG 4.35Å; V430-P583 HydrophobicContact CG2-CB 3.71Å; V430-P583 HydrophobicContact CG2-CG 3.63Å; V513-P583 HydrophobicContact CG2-CB 4.25Å; I580-P583 HydrophobicContact CG2-CB 4.46Å; N581-P583 WeakPolarHBondContact O-CD 3.45Å; P583-A585 PolarHBondContact O-N 3.3Å; P583-L586 WeakPolarHBondContact O-CB 3.47Å; P583-L586 PolarHBondContact O-N 2.84Å; P583-L586 VanDerWaalsContact O-N 3.15Å; P583-A587 WeakPolarHBondContact O-CB 3.35Å; P583-A587 PolarHBondContact O-N 3.03Å
584	T	98.5	Very high	95.8	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-61.6	-41.2	-169.4	-49.5	0	0	0	0	112.7	S394 N582 A587 I588 V603 S605 L645 Y654	S394-T584 WeakPolarHBondContact CB-OG1 3.45Å; S394-T584 WeakPolarHBondContact OG-CA 3.41Å; S394-T584 PolarHBondContact OG-N 3.41Å; S394-T584 VanDerWaalsContact OG-N 3.13Å; S394-T584 PolarHBondContact OG-OG1 2.94Å; S394-T584 VanDerWaalsContact OG-OG1 3.06Å; N582-T584 PolarHBondContact O-N 2.65Å; N582-T584 VanDerWaalsContact O-N 3.16Å; N582-T584 VanDerWaalsContact OD1-CB 3.25Å; N582-T584 WeakPolarHBondContact OD1-CB 3.5Å; N582-T584 PolarHBondContact OD1-N 2.78Å; N582-T584 VanDerWaalsContact OD1-N 3.11Å; N582-T584 PolarHBondContact OD1-OG1 3.26Å; T584-A587 WeakPolarHBondContact O-CB 3.42Å; T584-A587 PolarHBondContact O-N 3.15Å; T584-I588 HydrophobicContact CG2-CD1 4.12Å; T584-I588 WeakPolarHBondContact O-CG1 3.36Å; T584-I588 PolarHBondContact O-N 3.39Å; T584-V603 HydrophobicContact CG2-CG1 3.46Å; T584-V603 VanDerWaalsContact CG2-CG1 3.46Å; T584-S605 WeakPolarHBondContact OG1-CB 3.32Å; T584-S605 PolarHBondContact OG1-OG 3.2Å; T584-L645 HydrophobicContact CG2-CD1 3.54Å; T584-Y654 HydrophobicContact CG2-CE2 3.91Å
585	A	97.8	Very high	95.8	Very high	39 Å²	39	20.8 Å²	20.8	32%	0.322	11%	0.111	S	C	.	.	H	α-helix	trans	-65.3	-40.3	178.1	0	0	0	0	0	112.2	P583 I588 H589 V641 L645	P583-A585 PolarHBondContact O-N 3.3Å; A585-I588 PolarHBondContact O-N 3.39Å; A585-H589 WeakPolarHBondContact O-CB 3.16Å; A585-H589 PolarHBondContact O-N 3.26Å; A585-V641 HydrophobicContact CB-CG1 4.33Å; A585-L645 HydrophobicContact CB-CD1 4.45Å; A585-L645 HydrophobicContact CB-CD2 4.44Å
586	L	97.9	Very high	95.7	Very high	1 Å²	1	24.6 Å²	24.6	1%	0.005	14%	0.136	C	C	.	.	H	α-helix	trans	-64.8	-41.2	174.2	179.3	154.8	0	0	0	111.3	V513 V527 Y541 I580 P583 I588 H589 E590	V513-L586 HydrophobicContact CG1-CD1 3.94Å; V513-L586 HydrophobicContact CG2-CD1 3.87Å; V513-L586 HydrophobicContact CG2-CD2 3.72Å; V513-L586 HydrophobicContact CG2-CG 4.44Å; V527-L586 HydrophobicContact CG2-CD1 3.91Å; V527-L586 HydrophobicContact CG2-CD2 4.04Å; V527-L586 HydrophobicContact CG2-CG 4.36Å; Y541-L586 HydrophobicContact CD1-CD1 3.88Å; Y541-L586 HydrophobicContact CD2-CD1 3.95Å; Y541-L586 HydrophobicContact CD2-CG 3.81Å; Y541-L586 HydrophobicContact CE1-CD1 3.82Å; Y541-L586 HydrophobicContact CE1-CG 4.37Å; Y541-L586 HydrophobicContact CE2-CB 3.96Å; Y541-L586 HydrophobicContact CE2-CD1 3.91Å; Y541-L586 HydrophobicContact CE2-CG 3.56Å; Y541-L586 HydrophobicContact CG-CD1 3.94Å; Y541-L586 HydrophobicContact CG-CG 4.31Å; I580-L586 HydrophobicContact CD1-CD1 3.76Å; P583-L586 WeakPolarHBondContact O-CB 3.47Å; P583-L586 PolarHBondContact O-N 2.84Å; P583-L586 VanDerWaalsContact O-N 3.15Å; L586-I588 PolarHBondContact O-N 3.38Å; L586-H589 WeakPolarHBondContact O-CB 3.49Å; L586-H589 PolarHBondContact O-N 3.01Å; L586-E590 HydrophobicContact CD2-CG 4.17Å; L586-E590 PolarHBondContact O-N 3.42Å
587	A	98.5	Very high	95.6	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-62.8	-40.8	177.3	0	0	0	0	0	112.4	I392 Y426 C428 P583 T584 S591	I392-A587 HydrophobicContact CG2-CB 3.8Å; Y426-A587 HydrophobicContact CD1-CB 4.15Å; Y426-A587 HydrophobicContact CE1-CB 3.92Å; C428-A587 HydrophobicContact CB-CB 3.51Å; P583-A587 WeakPolarHBondContact O-CB 3.35Å; P583-A587 PolarHBondContact O-N 3.03Å; T584-A587 WeakPolarHBondContact O-CB 3.42Å; T584-A587 PolarHBondContact O-N 3.15Å; A587-S591 WeakPolarHBondContact O-CB 3.35Å; A587-S591 PolarHBondContact O-N 3.39Å; A587-S591 PolarHBondContact O-OG 2.65Å
588	I	98.4	Very high	95.8	Very high	23 Å²	23	31 Å²	31	12%	0.118	17%	0.17	C	C	.	.	H	α-helix	trans	-65.3	-45.9	174	-69.2	161.9	0	0	0	110.7	I392 T584 A585 L586 S591 K592 L600 V603 L645 L649	I392-I588 HydrophobicContact CD1-CG1 3.93Å; T584-I588 HydrophobicContact CG2-CD1 4.12Å; T584-I588 WeakPolarHBondContact O-CG1 3.36Å; T584-I588 PolarHBondContact O-N 3.39Å; A585-I588 PolarHBondContact O-N 3.39Å; L586-I588 PolarHBondContact O-N 3.38Å; I588-S591 PolarHBondContact O-N 2.91Å; I588-K592 PolarHBondContact O-N 2.98Å; I588-L600 HydrophobicContact CG1-CD1 4.4Å; I588-L600 HydrophobicContact CG2-CD1 4.11Å; I588-V603 HydrophobicContact CD1-CG1 4.28Å; I588-V603 HydrophobicContact CG1-CG1 4.39Å; I588-V603 HydrophobicContact CG1-CG2 4.38Å; I588-L645 HydrophobicContact CD1-CD1 4.23Å; I588-L645 HydrophobicContact CD1-CD2 3.87Å; I588-L649 HydrophobicContact CD1-CD1 3.83Å; I588-L649 HydrophobicContact CD1-CD2 4.45Å
589	H	97.9	Very high	96.1	Very high	57 Å²	57	32.4 Å²	32.4	26%	0.264	18%	0.182	S	C	.	.	H	α-helix	trans	-56.8	-54.4	176.2	166.5	-72.3	0	0	0	111.4	S539 H540 Y541 A585 L586 S591 K592 C593	S539-H589 PolarHBondContact OG-CE1 2.93Å; S539-H589 VanDerWaalsContact OG-CE1 3.25Å; H540-H589 WeakPolarHBondContact CB-NE2 3.44Å; H540-H589 PolarHBondContact N-CE1 3.18Å; H540-H589 VanDerWaalsContact N-CE1 3.33Å; H540-H589 PolarHBondContact N-NE2 3.35Å; Y541-H589 AromaticContact CD2-ND1 3.78Å; Y541-H589 HydrophobicContact CE2-CB 4.23Å; Y541-H589 AromaticContact CE2-CG 3.83Å; Y541-H589 AromaticContact CE2-ND1 3.7Å; A585-H589 WeakPolarHBondContact O-CB 3.16Å; A585-H589 PolarHBondContact O-N 3.26Å; L586-H589 WeakPolarHBondContact O-CB 3.49Å; L586-H589 PolarHBondContact O-N 3.01Å; H589-S591 VanDerWaalsContact C-N 3.32Å; H589-S591 PolarHBondContact O-N 3.13Å; H589-K592 CarbonylContact O-C 3.59Å; H589-K592 PolarHBondContact O-N 3.02Å; H589-C593 VanDerWaalsContact CE1-SG 3.53Å; H589-C593 PolarHBondContact O-N 3.19Å
590	E	98.1	Very high	96.4	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-61.2	-40.3	179.1	-73.1	-60.4	94.7	0	0	112.2	Y426 R529 Y531 S539 L586 K592 C593 L594	Y426-E590 HydrophobicContact CE2-CB 3.96Å; Y426-E590 VanDerWaalsContact OH-CB 3.31Å; Y426-E590 WeakPolarHBondContact OH-CB 3.43Å; R529-E590 IonicContact CZ-OE2 3.44Å; R529-E590 IonicContact NH1-OE1 2.78Å; R529-E590 IonicContact NH1-OE2 3.2Å; R529-E590 PolarHBondContact NH1-OE2 3.45Å; Y531-E590 WeakPolarHBondContact OH-CB 3.41Å; Y531-E590 PolarHBondContact OH-OE2 2.8Å; Y531-E590 VanDerWaalsContact OH-OE2 3.04Å; S539-E590 VanDerWaalsContact CB-OE1 3.22Å; S539-E590 WeakPolarHBondContact CB-OE1 2.99Å; S539-E590 PolarHBondContact OG-OE1 3.42Å; L586-E590 HydrophobicContact CD2-CG 4.17Å; L586-E590 PolarHBondContact O-N 3.42Å; E590-K592 VanDerWaalsContact C-N 3.26Å; E590-K592 PolarHBondContact O-N 3.09Å; E590-C593 WeakPolarHBondContact O-CB 3.35Å; E590-C593 PolarHBondContact O-N 3.35Å; E590-C593 VanDerWaalsContact O-N 3.14Å; E590-L594 WeakPolarHBondContact O-CG 3.37Å; E590-L594 PolarHBondContact O-N 3.01Å
591	S	97.9	Very high	96.6	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-61.4	-32.8	174.1	-66.8	0	0	0	0	112.8	I392 A587 I588 H589 L594 W595	I392-S591 VanDerWaalsContact CD1-OG 3.3Å; I392-S591 WeakPolarHBondContact CD1-OG 3.49Å; A587-S591 WeakPolarHBondContact O-CB 3.35Å; A587-S591 PolarHBondContact O-N 3.39Å; A587-S591 PolarHBondContact O-OG 2.65Å; I588-S591 PolarHBondContact O-N 2.91Å; H589-S591 VanDerWaalsContact C-N 3.32Å; H589-S591 PolarHBondContact O-N 3.13Å; S591-L594 PolarHBondContact O-N 3.18Å; S591-W595 PolarHBondContact O-N 3.3Å
592	K	96.7	Very high	96.7	Very high	78 Å²	78	29 Å²	29	34%	0.339	16%	0.164	S	C	.	.	H	α-helix	trans	-79.1	-26.3	173.8	-78.8	-55.9	-155.3	172.8	0	113.8	I390 I588 H589 E590 L594 P596 T598	I390-K592 HydrophobicContact CD1-CD 4.49Å; I588-K592 PolarHBondContact O-N 2.98Å; H589-K592 CarbonylContact O-C 3.59Å; H589-K592 PolarHBondContact O-N 3.02Å; E590-K592 VanDerWaalsContact C-N 3.26Å; E590-K592 PolarHBondContact O-N 3.09Å; K592-L594 VanDerWaalsContact C-N 3.33Å; K592-P596 PolarHBondContact NZ-O 2.81Å; K592-P596 VanDerWaalsContact O-CA 3.3Å; K592-P596 WeakPolarHBondContact O-CA 3.39Å; K592-T598 PolarHBondContact NZ-O 2.72Å
593	C	96.4	Very high	96.8	Very high	23 Å²	23	29 Å²	29	16%	0.155	16%	0.164	C	C	.	.	H	α-helix	trans	-69.4	-31.7	165.7	-64.5	0	0	0	0	112.4	L533 V537 H589 E590	L533-C593 HydrophobicContact CD1-CB 3.69Å; L533-C593 HydrophobicContact CD2-CB 3.61Å; L533-C593 HydrophobicContact CG-CB 4.28Å; V537-C593 HydrophobicContact CG1-CB 3.98Å; H589-C593 VanDerWaalsContact CE1-SG 3.53Å; H589-C593 PolarHBondContact O-N 3.19Å; E590-C593 WeakPolarHBondContact O-CB 3.35Å; E590-C593 PolarHBondContact O-N 3.35Å; E590-C593 VanDerWaalsContact O-N 3.14Å
594	L	95.9	Very high	96.9	Very high	17 Å²	17	29 Å²	29	9%	0.089	16%	0.164	C	C	.	.	H	α-helix	trans	-76	-46.5	176	-77.3	167.4	0	0	0	113.1	H382 Y426 K509 Y531 L533 E590 S591 K592	H382-L594 WeakPolarHBondContact CD2-CD2 3.47Å; Y426-L594 HydrophobicContact CD2-CD1 3.66Å; Y426-L594 HydrophobicContact CE2-CD1 3.67Å; K509-L594 HydrophobicContact CB-CD1 4.14Å; K509-L594 HydrophobicContact CG-CD1 4.01Å; Y531-L594 HydrophobicContact CD1-CD1 4.44Å; Y531-L594 HydrophobicContact CD2-CD1 4.23Å; Y531-L594 HydrophobicContact CD2-CD2 3.6Å; Y531-L594 HydrophobicContact CD2-CG 4.15Å; Y531-L594 HydrophobicContact CE1-CD1 4.19Å; Y531-L594 HydrophobicContact CE2-CD1 3.96Å; Y531-L594 HydrophobicContact CE2-CD2 4Å; Y531-L594 HydrophobicContact CE2-CG 4.02Å; Y531-L594 HydrophobicContact CG-CD1 4.49Å; Y531-L594 HydrophobicContact CG-CD2 4.04Å; L533-L594 HydrophobicContact CD2-CD2 4.18Å; L533-L594 HydrophobicContact CD2-CG 4.19Å; E590-L594 WeakPolarHBondContact O-CG 3.37Å; E590-L594 PolarHBondContact O-N 3.01Å; S591-L594 PolarHBondContact O-N 3.18Å; K592-L594 VanDerWaalsContact C-N 3.33Å
595	W	96	Very high	96.9	Very high	20 Å²	20	29 Å²	29	8%	0.076	16%	0.164	C	C	.	.			trans	-135.2	70.6	-172.3	-56.1	-72.8	0	0	0	111.4	K383 V385 I390 D425 Y426 K509 S591 D597 T598	K383-W595 PolarHBondContact O-NE1 3.1Å; V385-W595 HydrophobicContact CG1-CD2 3.52Å; V385-W595 HydrophobicContact CG1-CE3 3.82Å; V385-W595 HydrophobicContact CG1-CG 3.99Å; V385-W595 HydrophobicContact CG1-CH2 4.08Å; V385-W595 HydrophobicContact CG1-CZ2 3.81Å; V385-W595 HydrophobicContact CG1-CZ3 4.09Å; I390-W595 HydrophobicContact CD1-CB 3.94Å; I390-W595 HydrophobicContact CD1-CE3 4.13Å; I390-W595 HydrophobicContact CG1-CB 4.33Å; I390-W595 HydrophobicContact CG1-CE3 4.25Å; I390-W595 HydrophobicContact CG2-CE3 3.91Å; I390-W595 HydrophobicContact CG2-CZ3 3.94Å; D425-W595 HydrophobicContact CB-CH2 4.17Å; Y426-W595 HydrophobicContact CD2-CZ3 4.39Å; K509-W595 HydrophobicContact CB-CH2 4.31Å; K509-W595 HydrophobicContact CG-CH2 3.76Å; K509-W595 HydrophobicContact CG-CZ2 4.17Å; S591-W595 PolarHBondContact O-N 3.3Å; W595-D597 PolarHBondContact O-N 3.11Å; W595-T598 PolarHBondContact O-N 3.1Å; W595-T598 VanDerWaalsContact O-N 3.15Å
596	P	92.6	Very high	96.9	Very high	85 Å²	85	27.2 Å²	27.2	55%	0.552	15%	0.149	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-47.3	-172.4	20.6	-32.5	0	0	0	113.1	K592 T598	K592-P596 PolarHBondContact NZ-O 2.81Å; K592-P596 VanDerWaalsContact O-CA 3.3Å; K592-P596 WeakPolarHBondContact O-CA 3.39Å; P596-T598 PolarHBondContact O-N 3.4Å
597	D	91.4	Very high	96.8	Very high	112 Å²	112	27.2 Å²	27.2	60%	0.599	15%	0.149	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-20.9	178.9	-67.7	-12.9	0	0	0	113.8	W595 R715	W595-D597 PolarHBondContact O-N 3.11Å; D597-R715 IonicContact OD2-CZ 3.56Å; D597-R715 VanDerWaalsContact OD2-CZ 3.25Å; D597-R715 IonicContact OD2-NH1 2.65Å; D597-R715 PolarHBondContact OD2-NH1 2.92Å; D597-R715 IonicContact OD2-NH2 2.94Å; D597-R715 PolarHBondContact OD2-NH2 3.45Å
598	T	94.9	Very high	96.6	Very high	27 Å²	27	27.6 Å²	27.6	17%	0.166	15%	0.151	C	C	.	.	S	Bend	trans	-90.8	127.8	-167.4	-52.9	0	0	0	0	110.9	V385 I390 K592 W595 P596	V385-T598 HydrophobicContact CG2-CG2 3.84Å; I390-T598 HydrophobicContact CG1-CG2 3.72Å; K592-T598 PolarHBondContact NZ-O 2.72Å; W595-T598 PolarHBondContact O-N 3.1Å; W595-T598 VanDerWaalsContact O-N 3.15Å; P596-T598 PolarHBondContact O-N 3.4Å
599	P	95.5	Very high	96.2	Very high	78 Å²	78	26.8 Å²	26.8	51%	0.506	15%	0.149	S	C	.	.	P	Polyproline II helix	trans	-67.9	155.5	175.6	30	-35.5	0	0	0	111.2	G389 I390	G389-P599 CarbonylContact C-O 3.51Å; G389-P599 WeakPolarHBondContact CA-O 3.44Å; I390-P599 PolarHBondContact N-O 3.3Å
600	L	97.4	Very high	95.7	Very high	33 Å²	33	28 Å²	28	17%	0.173	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	137.4	165.1	-59.1	173.9	0	0	0	108.5	I390 I392 I588 V603 L649 T653	I390-L600 HydrophobicContact CB-CD2 4.22Å; I390-L600 HydrophobicContact CD1-CD2 4.23Å; I392-L600 HydrophobicContact CD1-CD2 3.68Å; I588-L600 HydrophobicContact CG1-CD1 4.4Å; I588-L600 HydrophobicContact CG2-CD1 4.11Å; L600-V603 HydrophobicContact CB-CG2 4.45Å; L600-V603 HydrophobicContact CD1-CG2 4.17Å; L600-V603 HydrophobicContact CD2-CG2 4.33Å; L600-L649 HydrophobicContact CD1-CD2 3.84Å; L600-T653 HydrophobicContact CB-CG2 3.55Å; L600-T653 HydrophobicContact CD1-CG2 4.27Å
601	E	96.5	Very high	94.8	Very high	15 Å²	15	31.1 Å²	31.1	7%	0.07	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	-37.8	172.6	172.6	161	-138.3	0	0	112.2	R388 G389 I390 R702	R388-E601 WeakPolarHBondContact CA-OE2 3.18Å; R388-E601 WeakPolarHBondContact CB-OE2 3.45Å; R388-E601 PolarHBondContact N-OE2 2.89Å; G389-E601 PolarHBondContact N-OE2 2.97Å; I390-E601 PolarHBondContact O-N 3.41Å; E601-R702 IonicContact OE1-CZ 2.65Å; E601-R702 IonicContact OE1-NE 3.68Å; E601-R702 IonicContact OE1-NH1 2.77Å; E601-R702 PolarHBondContact OE1-NH1 3.23Å
602	C	98.1	Very high	93.3	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157	130.3	176.7	-168.2	0	0	0	0	110.3	I390 R391 I392 T653 L699 L700	I390-C602 PolarHBondContact O-N 3.43Å; R391-C602 CarbonylContact C-O 3.3Å; R391-C602 WeakPolarHBondContact CA-O 3.33Å; I392-C602 PolarHBondContact N-O 2.81Å; C602-T653 CarbonylContact C-O 3.57Å; C602-T653 WeakPolarHBondContact CA-O 3.46Å; C602-L699 HydrophobicContact CB-CB 4.25Å; C602-L700 HydrophobicContact CB-CD2 3.65Å; C602-L700 HydrophobicContact CB-CG 4.45Å
603	V	98.8	Very high	91.5	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	105.1	175.7	-177.5	0	0	0	0	108.1	I392 T584 I588 L600 T653 Y654 F655	I392-V603 HydrophobicContact CB-CG1 4.25Å; I392-V603 HydrophobicContact CB-CG2 4.23Å; I392-V603 HydrophobicContact CD1-CG2 4.14Å; I392-V603 HydrophobicContact CG1-CG2 4.37Å; I392-V603 HydrophobicContact CG2-CG1 4.41Å; I392-V603 WeakPolarHBondContact O-CA 3.22Å; T584-V603 HydrophobicContact CG2-CG1 3.46Å; T584-V603 VanDerWaalsContact CG2-CG1 3.46Å; I588-V603 HydrophobicContact CD1-CG1 4.28Å; I588-V603 HydrophobicContact CG1-CG1 4.39Å; I588-V603 HydrophobicContact CG1-CG2 4.38Å; L600-V603 HydrophobicContact CB-CG2 4.45Å; L600-V603 HydrophobicContact CD1-CG2 4.17Å; L600-V603 HydrophobicContact CD2-CG2 4.33Å; V603-T653 HydrophobicContact CG2-CG2 4.49Å; V603-T653 PolarHBondContact N-O 3.17Å; V603-Y654 HydrophobicContact CB-CD2 4.08Å; V603-Y654 HydrophobicContact CG1-CD2 3.95Å; V603-Y654 HydrophobicContact CG1-CE2 4.35Å; V603-Y654 WeakPolarHBondContact O-CD2 3.4Å; V603-F655 PolarHBondContact O-N 3.11Å
604	V	98.8	Very high	89.4	Confident	2 Å²	2	42.9 Å²	42.9	1%	0.012	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	121.6	178.3	179.8	0	0	0	0	108.6	I392 L393 S394 F424 L606 F657 V696 L700	I392-V604 PolarHBondContact O-N 3.1Å; L393-V604 CarbonylContact C-O 3.56Å; L393-V604 HydrophobicContact CD1-CB 4.28Å; L393-V604 HydrophobicContact CD1-CG1 4.12Å; S394-V604 PolarHBondContact N-O 3.23Å; F424-V604 HydrophobicContact CE1-CB 3.98Å; F424-V604 HydrophobicContact CE1-CG2 3.78Å; F424-V604 HydrophobicContact CZ-CB 4.1Å; F424-V604 HydrophobicContact CZ-CG2 3.96Å; V604-L606 HydrophobicContact CG1-CD2 3.68Å; V604-L606 HydrophobicContact CG1-CG 4.15Å; V604-F657 HydrophobicContact CG1-CD2 4.2Å; V604-F657 HydrophobicContact CG1-CE2 4.27Å; V604-V696 HydrophobicContact CG2-CG1 3.53Å; V604-V696 HydrophobicContact CG2-CG2 4.38Å; V604-L700 HydrophobicContact CG2-CD1 4.45Å
605	S	98.6	Very high	87.2	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	116.7	-178.4	175.6	0	0	0	0	109.7	S394 T584 F655 R656 F657	S394-S605 WeakPolarHBondContact O-CA 3.19Å; T584-S605 WeakPolarHBondContact OG1-CB 3.32Å; T584-S605 PolarHBondContact OG1-OG 3.2Å; S605-F655 PolarHBondContact N-O 3.08Å; S605-R656 CarbonylContact O-C 3.52Å; S605-R656 WeakPolarHBondContact O-CA 3.19Å; S605-R656 WeakPolarHBondContact OG-CD 3.25Å; S605-R656 PolarHBondContact OG-NH1 3.16Å; S605-F657 PolarHBondContact O-N 3.23Å
606	L	98.6	Very high	85	Confident	1 Å²	1	54 Å²	54	1%	0.005	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	109.2	-172.5	-56.6	-172.9	0	0	0	110.8	L393 S394 I395 D396 A405 T408 L409 V604 F657	L393-L606 HydrophobicContact CD1-CD1 3.8Å; L393-L606 HydrophobicContact CD1-CG 4Å; S394-L606 PolarHBondContact O-N 3.37Å; I395-L606 HydrophobicContact CG1-CD1 4.46Å; I395-L606 HydrophobicContact CG2-CB 4.37Å; D396-L606 PolarHBondContact N-O 2.87Å; A405-L606 HydrophobicContact CB-CB 3.92Å; A405-L606 HydrophobicContact CB-CD1 4.06Å; T408-L606 HydrophobicContact CG2-CD2 3.56Å; L409-L606 HydrophobicContact CD1-CD1 3.94Å; L409-L606 HydrophobicContact CD2-CD1 3.76Å; L409-L606 HydrophobicContact CG-CD1 3.59Å; V604-L606 HydrophobicContact CG1-CD2 3.68Å; V604-L606 HydrophobicContact CG1-CG 4.15Å; L606-F657 HydrophobicContact CD2-CB 3.91Å; L606-F657 HydrophobicContact CD2-CD2 4Å; L606-F657 HydrophobicContact CD2-CG 4.33Å
607	G	96.4	Very high	83.1	Confident	1 Å²	1	56.5 Å²	56.5	1%	0.01	33%	0.325	C	S	.	.			trans	-85.6	151.5	173.2	0	0	0	0	0	112.5	D396 G609 F657	D396-G607 WeakPolarHBondContact OD2-CA 3.4Å; G607-G609 PolarHBondContact O-N 2.96Å; G607-F657 PolarHBondContact N-O 3.44Å
608	T	93.7	Very high	81.4	Confident	7 Å²	7	55.3 Å²	55.3	4%	0.043	33%	0.325	C	S	.	.	S	Bend	trans	-91	34	-179.8	64.2	0	0	0	0	112.8	G397 G398 R401 L404	G397-T608 PolarHBondContact O-OG1 3.07Å; G398-T608 WeakPolarHBondContact CA-OG1 3.41Å; R401-T608 VanDerWaalsContact CB-O 3.3Å; R401-T608 WeakPolarHBondContact CB-O 3.15Å; L404-T608 WeakPolarHBondContact CD1-O 3.31Å
609	G	90.1	Very high	79.6	Confident	7 Å²	7	59.4 Å²	59.4	7%	0.072	36%	0.362	C	S	.	.			trans	84.5	133.4	-178.4	0	0	0	0	0	113.8	R401 G607 N658 P659	R401-G609 PolarHBondContact NH1-O 3.36Å; G607-G609 PolarHBondContact O-N 2.96Å; G609-N658 WeakPolarHBondContact CA-OD1 3.48Å; G609-N658 PolarHBondContact N-OD1 2.95Å; G609-P659 WeakPolarHBondContact CA-O 3.39Å
610	R	86.8	Confident	77.9	Confident	83 Å²	83	60.3 Å²	60.3	31%	0.313	37%	0.366	S	S	.	.	B	Isolated β-bridge	trans	-112.9	151	173.5	58.9	-179.7	-165	-171.2	6.6	110.8	E639 N658 P659 F660 V661	R610-E639 IonicContact CZ-OE2 3.43Å; R610-E639 IonicContact NH1-OE2 2.83Å; R610-E639 PolarHBondContact NH1-OE2 3.07Å; R610-N658 PolarHBondContact N-OD1 3.36Å; R610-P659 PolarHBondContact N-O 3.16Å; R610-F660 HydrophobicContact CG-CD1 3.7Å; R610-F660 HydrophobicContact CG-CE1 3.96Å; R610-F660 HydrophobicContact CG-CG 4.49Å; R610-F660 WeakPolarHBondContact O-CA 3.39Å; R610-V661 PolarHBondContact O-N 3.38Å
611	I	79.5	Confident	76	Confident	64 Å²	64	69.6 Å²	69.6	33%	0.328	40%	0.4	S	S	.	.			trans	-116.2	131.8	-177.1	-61.2	159.5	0	0	0	108	T613 E664	I611-T613 PolarHBondContact O-N 2.89Å; I611-E664 HydrophobicContact CD1-CB 4.01Å; I611-E664 HydrophobicContact CD1-CG 3.93Å
612	E	66.8	Low	74.5	Confident	143 Å²	143	72.1 Å²	72.1	67%	0.668	42%	0.417	S	S	*	.			trans	-81.1	93.2	169.9	-68.1	-165.6	147.6	0	0	110	A614 F660	E612-A614 PolarHBondContact O-N 3.13Å; E612-F660 HydrophobicContact CG-CD1 3.63Å; E612-F660 HydrophobicContact CG-CE1 3.29Å; E612-F660 HydrophobicContact CG-CZ 3.96Å; E612-F660 WeakPolarHBondContact OE1-CE1 3.3Å; E612-F660 WeakPolarHBondContact OE1-CZ 3.45Å
613	T	59.2	Low	73.5	Confident	126 Å²	126	75 Å²	75	77%	0.773	44%	0.437	S	S	*	.			trans	-68.9	84	170.6	-51.2	0	0	0	0	109.6	I611 G615	I611-T613 PolarHBondContact O-N 2.89Å; T613-G615 PolarHBondContact O-N 3.05Å
614	A	52.8	Low	72.2	Confident	80 Å²	80	82.2 Å²	82.2	66%	0.661	48%	0.475	S	S	*	.			trans	-49	116.8	176.3	0	0	0	0	0	110.1	E612 K616	E612-A614 PolarHBondContact O-N 3.13Å; A614-K616 PolarHBondContact O-N 3.36Å
615	G	49.4	Very low	70.9	Confident	67 Å²	67	90.5 Å²	90.5	69%	0.691	51%	0.511	S	S	*	.			trans	-65.3	81.4	-156.9	0	0	0	0	0	115.4	T613 T617	T613-G615 PolarHBondContact O-N 3.05Å; G615-T617 VanDerWaalsContact C-N 3.31Å; G615-T617 PolarHBondContact O-N 2.91Å
616	K	50	Low	69.6	Low	202 Å²	202	93.1 Å²	93.1	88%	0.878	53%	0.527	S	S	*	.			trans	-74.2	82.9	172.9	-72.1	178.5	-178.5	173.7	0	110.3	A614 S618	A614-K616 PolarHBondContact O-N 3.36Å; K616-S618 PolarHBondContact O-N 3.38Å
617	T	51.6	Low	68.3	Low	139 Å²	139	98.4 Å²	98.4	85%	0.853	55%	0.55	S	S	*	.			trans	-66.4	73.9	174.3	53.6	0	0	0	0	111.8	G615 A619	G615-T617 VanDerWaalsContact C-N 3.31Å; G615-T617 PolarHBondContact O-N 2.91Å; T617-A619 PolarHBondContact O-N 3.49Å
618	S	55.2	Low	67	Low	86 Å²	86	103.4 Å²	103.4	60%	0.601	58%	0.575	S	S	*	*			trans	-78.3	114.9	170.6	-178.2	0	0	0	0	109.6	K616 T620	K616-S618 PolarHBondContact O-N 3.38Å; S618-T620 PolarHBondContact O-N 3.37Å; S618-T620 WeakPolarHBondContact OG-CB 3.37Å; S618-T620 PolarHBondContact OG-OG1 3.45Å
619	A	58.8	Low	65.9	Low	113 Å²	113	105.5 Å²	105.5	93%	0.934	59%	0.594	S	S	*	*			trans	-72.2	24	176.4	0	0	0	0	0	113.9	T617	T617-A619 PolarHBondContact O-N 3.49Å
620	T	59	Low	65	Low	98 Å²	98	109.4 Å²	109.4	60%	0.601	61%	0.613	S	S	*	*	S	Bend	trans	-102	146.4	-173	-46.2	0	0	0	0	110.6	S618 T622	S618-T620 PolarHBondContact O-N 3.37Å; S618-T620 WeakPolarHBondContact OG-CB 3.37Å; S618-T620 PolarHBondContact OG-OG1 3.45Å; T620-T622 PolarHBondContact O-N 3Å
621	Y	58.3	Low	64.3	Low	228 Å²	228	110.1 Å²	110.1	89%	0.894	63%	0.627	S	S	*	*	P	Polyproline II helix	trans	-51.2	119.4	175.8	-65.6	-81.2	0	0	0	113.1
622	T	64.6	Low	64	Low	68 Å²	68	110.6 Å²	110.6	42%	0.417	63%	0.629	S	S	.	*	P	Polyproline II helix	trans	-72.4	131.8	173.4	45	0	0	0	0	111.2	T620 T626 K627	T620-T622 PolarHBondContact O-N 3Å; T622-T626 HydrophobicContact CG2-CG2 3.95Å; T622-K627 WeakPolarHBondContact O-CE 3.31Å; T622-K627 WeakPolarHBondContact OG1-CE 3.5Å; T622-K627 WeakPolarHBondContact OG1-CG 3.28Å
623	S	77.5	Confident	64.3	Low	61 Å²	61	107.4 Å²	107.4	43%	0.427	62%	0.622	S	S	.	*	P	Polyproline II helix	trans	-63.3	159.9	177.5	81.3	0	0	0	0	111.4	K625 T626 K627	S623-K625 PolarHBondContact O-N 3.32Å; S623-K625 PolarHBondContact OG-N 2.64Å; S623-T626 CarbonylContact O-C 3.55Å; S623-T626 WeakPolarHBondContact O-CA 3.36Å; S623-T626 WeakPolarHBondContact O-CB 3.28Å; S623-T626 PolarHBondContact O-N 3.49Å; S623-T626 PolarHBondContact OG-N 3.15Å; S623-T626 PolarHBondContact OG-OG1 3.25Å; S623-K627 PolarHBondContact O-N 3.03Å
624	L	71.1	Confident	64.7	Low	150 Å²	150	105.8 Å²	105.8	79%	0.785	62%	0.616	S	S	*	*	H	α-helix	trans	-59.3	-36.4	176.4	-175.3	60.8	0	0	0	112.1	K627 L628	L624-K627 PolarHBondContact O-N 3.31Å; L624-L628 WeakPolarHBondContact O-CB 3.49Å; L624-L628 PolarHBondContact O-N 3.23Å
625	K	71.6	Confident	65.5	Low	177 Å²	177	104.1 Å²	104.1	77%	0.77	60%	0.603	S	S	*	*	H	α-helix	trans	-61.9	-43.3	172	-176.2	-179.7	178.3	-177.5	0	111.4	S623 L628 A629	S623-K625 PolarHBondContact O-N 3.32Å; S623-K625 PolarHBondContact OG-N 2.64Å; K625-L628 PolarHBondContact O-N 3.42Å; K625-A629 VanDerWaalsContact O-CB 3.28Å; K625-A629 WeakPolarHBondContact O-CB 3.07Å; K625-A629 PolarHBondContact O-N 3.45Å
626	T	71.7	Confident	66.7	Low	55 Å²	55	103 Å²	103	34%	0.337	58%	0.582	S	S	.	*	H	α-helix	trans	-65	-43	176.8	-47.3	0	0	0	0	111.4	T622 S623 A629 N630	T622-T626 HydrophobicContact CG2-CG2 3.95Å; S623-T626 CarbonylContact O-C 3.55Å; S623-T626 WeakPolarHBondContact O-CA 3.36Å; S623-T626 WeakPolarHBondContact O-CB 3.28Å; S623-T626 PolarHBondContact O-N 3.49Å; S623-T626 PolarHBondContact OG-N 3.15Å; S623-T626 PolarHBondContact OG-OG1 3.25Å; T626-A629 PolarHBondContact O-N 3.19Å; T626-N630 WeakPolarHBondContact O-CB 3.29Å; T626-N630 PolarHBondContact O-N 2.84Å; T626-N630 PolarHBondContact O-OD1 3.35Å; T626-N630 VanDerWaalsContact O-OD1 3.04Å
627	K	69.7	Low	68.3	Low	111 Å²	111	96.4 Å²	96.4	48%	0.483	56%	0.556	S	S	.	*	H	α-helix	trans	-62.8	-44.1	176.9	-69.8	-177.4	178.7	-175	0	111.7	T622 S623 L624 N630 V631	T622-K627 WeakPolarHBondContact O-CE 3.31Å; T622-K627 WeakPolarHBondContact OG1-CE 3.5Å; T622-K627 WeakPolarHBondContact OG1-CG 3.28Å; S623-K627 PolarHBondContact O-N 3.03Å; L624-K627 PolarHBondContact O-N 3.31Å; K627-N630 PolarHBondContact O-N 3.49Å; K627-V631 WeakPolarHBondContact O-CG2 3.47Å; K627-V631 PolarHBondContact O-N 2.69Å
628	L	69.9	Low	70	Confident	106 Å²	106	90.4 Å²	90.4	56%	0.555	52%	0.52	S	S	*	.	H	α-helix	trans	-63.9	-44.8	175.4	-178.5	60.2	0	0	0	111.7	L624 K625 N630 V631 I632	L624-L628 WeakPolarHBondContact O-CB 3.49Å; L624-L628 PolarHBondContact O-N 3.23Å; K625-L628 PolarHBondContact O-N 3.42Å; L628-N630 VanDerWaalsContact C-N 3.34Å; L628-N630 PolarHBondContact O-N 3.25Å; L628-V631 PolarHBondContact O-N 3.07Å; L628-I632 HydrophobicContact CD1-CD1 4.05Å; L628-I632 HydrophobicContact CD1-CG1 4.32Å; L628-I632 HydrophobicContact CG-CD1 3.91Å; L628-I632 VanDerWaalsContact O-CG1 3.31Å; L628-I632 WeakPolarHBondContact O-CG1 3.43Å; L628-I632 PolarHBondContact O-N 2.81Å
629	A	70.3	Confident	71.7	Confident	52 Å²	52	87.9 Å²	87.9	43%	0.43	50%	0.498	S	S	.	.	H	α-helix	trans	-61.4	-40.3	176.1	0	0	0	0	0	112.3	K625 T626 I632 S633	K625-A629 VanDerWaalsContact O-CB 3.28Å; K625-A629 WeakPolarHBondContact O-CB 3.07Å; K625-A629 PolarHBondContact O-N 3.45Å; T626-A629 PolarHBondContact O-N 3.19Å; A629-I632 PolarHBondContact O-N 2.89Å; A629-S633 WeakPolarHBondContact O-CB 3.46Å; A629-S633 PolarHBondContact O-N 3.2Å
630	N	72.3	Confident	73.1	Confident	88 Å²	88	89.7 Å²	89.7	47%	0.471	49%	0.488	S	S	.	.	H	α-helix	trans	-65.4	-44	175.2	-71	15.9	0	0	0	111.7	T626 K627 L628 S633 S634	T626-N630 WeakPolarHBondContact O-CB 3.29Å; T626-N630 PolarHBondContact O-N 2.84Å; T626-N630 PolarHBondContact O-OD1 3.35Å; T626-N630 VanDerWaalsContact O-OD1 3.04Å; K627-N630 PolarHBondContact O-N 3.49Å; L628-N630 VanDerWaalsContact C-N 3.34Å; L628-N630 PolarHBondContact O-N 3.25Å; N630-S633 PolarHBondContact O-N 3Å; N630-S634 PolarHBondContact O-N 3.35Å; N630-S634 PolarHBondContact O-OG 3.4Å
631	V	71.8	Confident	74.8	Confident	99 Å²	99	86.9 Å²	86.9	60%	0.6	47%	0.47	S	S	*	.	H	α-helix	trans	-63.2	-42.6	177	168.6	0	0	0	0	111.5	K627 L628 A635	K627-V631 WeakPolarHBondContact O-CG2 3.47Å; K627-V631 PolarHBondContact O-N 2.69Å; L628-V631 PolarHBondContact O-N 3.07Å; V631-A635 WeakPolarHBondContact O-CB 3.44Å; V631-A635 PolarHBondContact O-N 3.22Å
632	I	73.4	Confident	76.5	Confident	74 Å²	74	77.7 Å²	77.7	38%	0.379	44%	0.435	S	S	.	.	H	α-helix	trans	-62.2	-49.9	173.8	-68.1	166.8	0	0	0	109.7	L628 A629 S634 A635 T636	L628-I632 HydrophobicContact CD1-CD1 4.05Å; L628-I632 HydrophobicContact CD1-CG1 4.32Å; L628-I632 HydrophobicContact CG-CD1 3.91Å; L628-I632 VanDerWaalsContact O-CG1 3.31Å; L628-I632 WeakPolarHBondContact O-CG1 3.43Å; L628-I632 PolarHBondContact O-N 2.81Å; A629-I632 PolarHBondContact O-N 2.89Å; I632-S634 PolarHBondContact O-N 2.88Å; I632-A635 CarbonylContact O-C 3.48Å; I632-A635 PolarHBondContact O-N 2.88Å; I632-A635 VanDerWaalsContact O-N 3.12Å; I632-T636 HydrophobicContact CG2-CG2 4.08Å; I632-T636 WeakPolarHBondContact O-CB 3.27Å; I632-T636 VanDerWaalsContact O-CG2 3.32Å; I632-T636 WeakPolarHBondContact O-CG2 3.24Å; I632-T636 PolarHBondContact O-N 3.48Å; I632-T636 PolarHBondContact O-OG1 3.41Å
633	S	71.4	Confident	77.9	Confident	75 Å²	75	77.3 Å²	77.3	52%	0.524	44%	0.439	S	S	.	.	H	α-helix	trans	-54.4	-49.3	179.7	-173.8	0	0	0	0	111.9	A629 N630 T636 D637	A629-S633 WeakPolarHBondContact O-CB 3.46Å; A629-S633 PolarHBondContact O-N 3.2Å; N630-S633 PolarHBondContact O-N 3Å; S633-T636 WeakPolarHBondContact CA-OG1 3.44Å; S633-T636 CarbonylContact O-C 3.57Å; S633-T636 PolarHBondContact O-N 3.39Å; S633-T636 PolarHBondContact O-OG1 2.84Å; S633-D637 PolarHBondContact O-N 3.31Å
634	S	68	Low	78.8	Confident	93 Å²	93	79.7 Å²	79.7	65%	0.65	45%	0.445	S	S	*	.	H	α-helix	trans	-62.6	-42.1	175.2	-62.8	0	0	0	0	113.3	N630 I632 T636 D637	N630-S634 PolarHBondContact O-N 3.35Å; N630-S634 PolarHBondContact O-OG 3.4Å; I632-S634 PolarHBondContact O-N 2.88Å; S634-T636 VanDerWaalsContact C-N 3.27Å; S634-T636 PolarHBondContact O-N 3.11Å; S634-D637 PolarHBondContact O-N 2.88Å
635	A	69.1	Low	80	Confident	45 Å²	45	73.4 Å²	73.4	37%	0.372	41%	0.412	S	S	.	.	H	α-helix	trans	-68.3	-27.2	176.3	0	0	0	0	0	113	V631 I632	V631-A635 WeakPolarHBondContact O-CB 3.44Å; V631-A635 PolarHBondContact O-N 3.22Å; I632-A635 CarbonylContact O-C 3.48Å; I632-A635 PolarHBondContact O-N 2.88Å; I632-A635 VanDerWaalsContact O-N 3.12Å
636	T	75.6	Confident	81.2	Confident	43 Å²	43	69.6 Å²	69.6	26%	0.264	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	1.1	174.7	60.1	0	0	0	0	113.8	G577 N581 I632 S633 S634 T638	G577-T636 WeakPolarHBondContact O-CG2 3.18Å; N581-T636 WeakPolarHBondContact CB-O 3.41Å; N581-T636 PolarHBondContact ND2-O 2.83Å; I632-T636 HydrophobicContact CG2-CG2 4.08Å; I632-T636 WeakPolarHBondContact O-CB 3.27Å; I632-T636 VanDerWaalsContact O-CG2 3.32Å; I632-T636 WeakPolarHBondContact O-CG2 3.24Å; I632-T636 PolarHBondContact O-N 3.48Å; I632-T636 PolarHBondContact O-OG1 3.41Å; S633-T636 WeakPolarHBondContact CA-OG1 3.44Å; S633-T636 CarbonylContact O-C 3.57Å; S633-T636 PolarHBondContact O-N 3.39Å; S633-T636 PolarHBondContact O-OG1 2.84Å; S634-T636 VanDerWaalsContact C-N 3.27Å; S634-T636 PolarHBondContact O-N 3.11Å; T636-T638 PolarHBondContact O-N 3.42Å
637	D	82.7	Confident	82.3	Confident	63 Å²	63	70.9 Å²	70.9	34%	0.337	42%	0.416	S	S	.	.			trans	-62.5	143.2	-179.3	-175.8	44.8	0	0	0	111	S633 S634 E639 E640	S633-D637 PolarHBondContact O-N 3.31Å; S634-D637 PolarHBondContact O-N 2.88Å; D637-E639 PolarHBondContact OD1-N 3.32Å; D637-E639 PolarHBondContact OD2-N 2.87Å; D637-E640 PolarHBondContact OD2-N 2.98Å
638	T	87.3	Confident	83.6	Confident	13 Å²	13	73.8 Å²	73.8	8%	0.08	43%	0.429	C	S	.	.	S	Bend	trans	-113.6	-12	-174.7	60.6	0	0	0	0	111.7	D396 N581 N582 T636 H642 R656	D396-T638 HydrophobicContact CB-CG2 4.39Å; D396-T638 WeakPolarHBondContact OD2-CB 3.39Å; D396-T638 VanDerWaalsContact OD2-CG2 3.32Å; D396-T638 WeakPolarHBondContact OD2-CG2 3.48Å; N581-T638 HydrophobicContact CB-CG2 4.13Å; N581-T638 WeakPolarHBondContact ND2-CG2 3.35Å; N582-T638 HydrophobicContact CB-CG2 4.04Å; N582-T638 PolarHBondContact ND2-O 3.41Å; T636-T638 PolarHBondContact O-N 3.42Å; T638-H642 PolarHBondContact O-N 2.9Å; T638-R656 PolarHBondContact OG1-NH2 3.31Å
639	E	90.7	Very high	84.8	Confident	33 Å²	33	70.2 Å²	70.2	15%	0.154	41%	0.41	C	S	.	.	H	α-helix	trans	-99.4	-24.1	-167.4	-56.5	-65.8	112.1	0	0	112.6	R610 D637 V641 H642 A643 R656 N658	R610-E639 IonicContact CZ-OE2 3.43Å; R610-E639 IonicContact NH1-OE2 2.83Å; R610-E639 PolarHBondContact NH1-OE2 3.07Å; D637-E639 PolarHBondContact OD1-N 3.32Å; D637-E639 PolarHBondContact OD2-N 2.87Å; E639-V641 VanDerWaalsContact C-N 3.32Å; E639-V641 PolarHBondContact O-N 3.15Å; E639-H642 WeakPolarHBondContact O-CB 3.48Å; E639-H642 PolarHBondContact O-N 3.34Å; E639-H642 IonicContact OE2-CD2 2.67Å; E639-A643 WeakPolarHBondContact O-CB 3.23Å; E639-A643 PolarHBondContact O-N 3.21Å; E639-R656 IonicContact OE1-CZ 3.58Å; E639-R656 VanDerWaalsContact OE1-CZ 3.29Å; E639-R656 IonicContact OE1-NE 3.72Å; E639-R656 PolarHBondContact OE1-NE 2.9Å; E639-R656 IonicContact OE1-NH2 3.36Å; E639-R656 PolarHBondContact OE1-NH2 2.87Å; E639-N658 PolarHBondContact OE1-ND2 3.46Å
640	E	89.3	Confident	86	Confident	152 Å²	152	71.4 Å²	71.4	71%	0.71	41%	0.414	S	S	*	.	H	α-helix	trans	-56.4	-46.3	161.5	-76	-167.2	174.6	0	0	111.3	D637 H642 A643 M644	D637-E640 PolarHBondContact OD2-N 2.98Å; E640-H642 VanDerWaalsContact C-N 3.32Å; E640-H642 PolarHBondContact O-N 3.2Å; E640-A643 PolarHBondContact O-N 3.43Å; E640-M644 WeakPolarHBondContact O-CB 3.4Å; E640-M644 PolarHBondContact O-N 3.15Å
641	V	93.6	Very high	86.9	Confident	38 Å²	38	73 Å²	73	23%	0.23	43%	0.429	C	S	.	.	H	α-helix	trans	-65.7	-36.2	176.3	178.8	0	0	0	0	111.1	N582 A585 E639 L645	N582-V641 HydrophobicContact CB-CB 4.15Å; N582-V641 HydrophobicContact CB-CG1 4.23Å; N582-V641 HydrophobicContact CB-CG2 4.49Å; A585-V641 HydrophobicContact CB-CG1 4.33Å; E639-V641 VanDerWaalsContact C-N 3.32Å; E639-V641 PolarHBondContact O-N 3.15Å; V641-L645 HydrophobicContact CG1-CD1 3.96Å; V641-L645 HydrophobicContact CG1-CG 4.47Å; V641-L645 WeakPolarHBondContact O-CB 3.39Å; V641-L645 VanDerWaalsContact O-CG 3.28Å; V641-L645 WeakPolarHBondContact O-CG 3.48Å; V641-L645 PolarHBondContact O-N 3.15Å; V641-L645 VanDerWaalsContact O-N 3.12Å
642	H	94.6	Very high	87.9	Confident	36 Å²	36	72.4 Å²	72.4	17%	0.167	42%	0.422	C	S	.	.	H	α-helix	trans	-61.4	-52.9	172.2	173.7	10.1	0	0	0	111.2	T638 E639 E640 M644 L645 D646 Y654 R656	T638-H642 PolarHBondContact O-N 2.9Å; E639-H642 WeakPolarHBondContact O-CB 3.48Å; E639-H642 PolarHBondContact O-N 3.34Å; E639-H642 IonicContact OE2-CD2 2.67Å; E640-H642 VanDerWaalsContact C-N 3.32Å; E640-H642 PolarHBondContact O-N 3.2Å; H642-M644 VanDerWaalsContact C-N 3.32Å; H642-M644 PolarHBondContact O-N 2.81Å; H642-L645 PolarHBondContact O-N 3.24Å; H642-D646 IonicContact CE1-OD1 3.58Å; H642-D646 WeakPolarHBondContact O-CB 3.19Å; H642-D646 PolarHBondContact O-N 3.39Å; H642-Y654 AromaticContact ND1-CE1 3.49Å; H642-Y654 WeakPolarHBondContact ND1-CE1 3.45Å; H642-R656 HydrophobicContact CB-CG 4.4Å
643	A	94.9	Very high	89	Confident	60 Å²	60	69.6 Å²	69.6	50%	0.496	41%	0.409	S	S	.	.	H	α-helix	trans	-61.9	-40.2	-176.3	0	0	0	0	0	112	E639 E640 A647	E639-A643 WeakPolarHBondContact O-CB 3.23Å; E639-A643 PolarHBondContact O-N 3.21Å; E640-A643 PolarHBondContact O-N 3.43Å; A643-A647 WeakPolarHBondContact O-CB 3.4Å; A643-A647 PolarHBondContact O-N 2.89Å; A643-A647 VanDerWaalsContact O-N 3.13Å
644	M	95.9	Very high	90.3	Very high	111 Å²	111	66.8 Å²	66.8	55%	0.547	39%	0.386	S	S	.	.	H	α-helix	trans	-60.4	-48.5	173.8	-174.7	-175.2	-61.5	0	0	111.8	E640 H642 A647 F648	E640-M644 WeakPolarHBondContact O-CB 3.4Å; E640-M644 PolarHBondContact O-N 3.15Å; H642-M644 VanDerWaalsContact C-N 3.32Å; H642-M644 PolarHBondContact O-N 2.81Å; M644-A647 PolarHBondContact O-N 3.1Å; M644-F648 HydrophobicContact CG-CD2 3.82Å; M644-F648 HydrophobicContact CG-CE2 4.06Å; M644-F648 VanDerWaalsContact O-CD2 3.22Å; M644-F648 WeakPolarHBondContact O-CD2 3.37Å; M644-F648 PolarHBondContact O-N 3.1Å; M644-F648 VanDerWaalsContact O-N 3.14Å
645	L	96.5	Very high	91.8	Very high	17 Å²	17	62.7 Å²	62.7	9%	0.089	36%	0.357	C	S	.	.	H	α-helix	trans	-72.3	-32.3	-177.8	-68.5	176.8	0	0	0	113.1	T584 A585 I588 V641 H642 A647 L649 Y654	T584-L645 HydrophobicContact CG2-CD1 3.54Å; A585-L645 HydrophobicContact CB-CD1 4.45Å; A585-L645 HydrophobicContact CB-CD2 4.44Å; I588-L645 HydrophobicContact CD1-CD1 4.23Å; I588-L645 HydrophobicContact CD1-CD2 3.87Å; V641-L645 HydrophobicContact CG1-CD1 3.96Å; V641-L645 HydrophobicContact CG1-CG 4.47Å; V641-L645 WeakPolarHBondContact O-CB 3.39Å; V641-L645 VanDerWaalsContact O-CG 3.28Å; V641-L645 WeakPolarHBondContact O-CG 3.48Å; V641-L645 PolarHBondContact O-N 3.15Å; V641-L645 VanDerWaalsContact O-N 3.12Å; H642-L645 PolarHBondContact O-N 3.24Å; L645-A647 VanDerWaalsContact C-N 3.34Å; L645-L649 HydrophobicContact CB-CD1 4.06Å; L645-L649 HydrophobicContact CD2-CD1 4.19Å; L645-L649 HydrophobicContact CD2-CG 4.47Å; L645-L649 VanDerWaalsContact O-CB 3.22Å; L645-L649 WeakPolarHBondContact O-CB 3.47Å; L645-L649 VanDerWaalsContact O-CG 3.28Å; L645-L649 WeakPolarHBondContact O-CG 3.47Å; L645-L649 PolarHBondContact O-N 3.16Å; L645-Y654 HydrophobicContact CB-CD1 4.03Å; L645-Y654 HydrophobicContact CB-CE1 3.66Å; L645-Y654 HydrophobicContact CD1-CE2 4.44Å
646	D	95.9	Very high	93.1	Very high	97 Å²	97	60.7 Å²	60.7	52%	0.519	34%	0.34	S	S	.	.	H	α-helix	trans	-67	-35.7	175.4	-149	74.1	0	0	0	111.6	H642 Y654	H642-D646 IonicContact CE1-OD1 3.58Å; H642-D646 WeakPolarHBondContact O-CB 3.19Å; H642-D646 PolarHBondContact O-N 3.39Å; D646-Y654 HydrophobicContact CB-CD1 4.3Å; D646-Y654 HydrophobicContact CB-CE1 4.36Å
647	A	95.9	Very high	94.2	Very high	82 Å²	82	58.7 Å²	58.7	68%	0.678	33%	0.328	S	S	*	.	H	α-helix	trans	-78.1	-30	177.6	0	0	0	0	0	114.5	A643 M644 L645	A643-A647 WeakPolarHBondContact O-CB 3.4Å; A643-A647 PolarHBondContact O-N 2.89Å; A643-A647 VanDerWaalsContact O-N 3.13Å; M644-A647 PolarHBondContact O-N 3.1Å; L645-A647 VanDerWaalsContact C-N 3.34Å
648	F	95.8	Very high	94.8	Very high	173 Å²	173	55.9 Å²	55.9	76%	0.759	31%	0.312	S	S	*	.	H	α-helix	trans	-103.6	-20.1	-174.4	-74.5	-60	0	0	0	115.5	M644	M644-F648 HydrophobicContact CG-CD2 3.82Å; M644-F648 HydrophobicContact CG-CE2 4.06Å; M644-F648 VanDerWaalsContact O-CD2 3.22Å; M644-F648 WeakPolarHBondContact O-CD2 3.37Å; M644-F648 PolarHBondContact O-N 3.1Å; M644-F648 VanDerWaalsContact O-N 3.14Å
649	L	95.6	Very high	95.1	Very high	31 Å²	31	55.4 Å²	55.4	16%	0.162	31%	0.31	C	S	.	.	S	Bend	trans	-87.4	149.8	177.3	-64.2	175.6	0	0	0	111.2	I588 L600 L645 Y654	I588-L649 HydrophobicContact CD1-CD1 3.83Å; I588-L649 HydrophobicContact CD1-CD2 4.45Å; L600-L649 HydrophobicContact CD1-CD2 3.84Å; L645-L649 HydrophobicContact CB-CD1 4.06Å; L645-L649 HydrophobicContact CD2-CD1 4.19Å; L645-L649 HydrophobicContact CD2-CG 4.47Å; L645-L649 VanDerWaalsContact O-CB 3.22Å; L645-L649 WeakPolarHBondContact O-CB 3.47Å; L645-L649 VanDerWaalsContact O-CG 3.28Å; L645-L649 WeakPolarHBondContact O-CG 3.47Å; L645-L649 PolarHBondContact O-N 3.16Å; L649-Y654 HydrophobicContact CD1-CD1 4.49Å; L649-Y654 HydrophobicContact CD1-CD2 4.27Å; L649-Y654 HydrophobicContact CD1-CG 3.93Å
650	P	94.8	Very high	95	Very high	77 Å²	77	58 Å²	58	50%	0.5	32%	0.321	S	S	.	.	P	Polyproline II helix	trans	-61.8	147.9	177.1	-20	31.8	0	0	0	111.7	T653	P650-T653 WeakPolarHBondContact O-CB 3.41Å; P650-T653 PolarHBondContact O-N 3.49Å; P650-T653 VanDerWaalsContact O-N 3.12Å; P650-T653 PolarHBondContact O-OG1 2.94Å
651	P	92.5	Very high	94.8	Very high	121 Å²	121	51.3 Å²	51.3	79%	0.786	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.2	146.8	171.7	-28.6	35.5	0	0	0	112.2	T653	P651-T653 PolarHBondContact O-N 3.06Å
652	D	93.3	Very high	94.3	Very high	86 Å²	86	55.9 Å²	55.9	46%	0.46	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	60	10	-177.5	-61	-20.3	0	0	0	116.2	F655 K695 L699	D652-F655 HydrophobicContact CB-CZ 4.46Å; D652-F655 WeakPolarHBondContact O-CE2 3.33Å; D652-F655 VanDerWaalsContact O-CZ 3.25Å; D652-F655 WeakPolarHBondContact O-CZ 3.21Å; D652-K695 VanDerWaalsContact OD1-CE 3.28Å; D652-K695 WeakPolarHBondContact OD1-CE 3.31Å; D652-K695 IonicContact OD1-NZ 2.63Å; D652-K695 PolarHBondContact OD1-NZ 2.92Å; D652-K695 WeakPolarHBondContact OD2-CE 3.2Å; D652-K695 IonicContact OD2-NZ 3.77Å; D652-K695 PolarHBondContact OD2-NZ 3.24Å; D652-L699 WeakPolarHBondContact O-CD1 3.24Å
653	T	96.4	Very high	93.6	Very high	16 Å²	16	58.1 Å²	58.1	10%	0.098	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.6	-35.6	171.7	-52.3	0	0	0	0	111.9	L600 C602 V603 P650 P651	L600-T653 HydrophobicContact CB-CG2 3.55Å; L600-T653 HydrophobicContact CD1-CG2 4.27Å; C602-T653 CarbonylContact C-O 3.57Å; C602-T653 WeakPolarHBondContact CA-O 3.46Å; V603-T653 HydrophobicContact CG2-CG2 4.49Å; V603-T653 PolarHBondContact N-O 3.17Å; P650-T653 WeakPolarHBondContact O-CB 3.41Å; P650-T653 PolarHBondContact O-N 3.49Å; P650-T653 VanDerWaalsContact O-N 3.12Å; P650-T653 PolarHBondContact O-OG1 2.94Å; P651-T653 PolarHBondContact O-N 3.06Å
654	Y	98.2	Very high	92.8	Very high	15 Å²	15	63.1 Å²	63.1	6%	0.059	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	136.5	-169.2	179.8	-131.6	0	0	0	113.1	T584 V603 H642 L645 D646 L649	T584-Y654 HydrophobicContact CG2-CE2 3.91Å; V603-Y654 HydrophobicContact CB-CD2 4.08Å; V603-Y654 HydrophobicContact CG1-CD2 3.95Å; V603-Y654 HydrophobicContact CG1-CE2 4.35Å; V603-Y654 WeakPolarHBondContact O-CD2 3.4Å; H642-Y654 AromaticContact ND1-CE1 3.49Å; H642-Y654 WeakPolarHBondContact ND1-CE1 3.45Å; L645-Y654 HydrophobicContact CB-CD1 4.03Å; L645-Y654 HydrophobicContact CB-CE1 3.66Å; L645-Y654 HydrophobicContact CD1-CE2 4.44Å; D646-Y654 HydrophobicContact CB-CD1 4.3Å; D646-Y654 HydrophobicContact CB-CE1 4.36Å; L649-Y654 HydrophobicContact CD1-CD1 4.49Å; L649-Y654 HydrophobicContact CD1-CD2 4.27Å; L649-Y654 HydrophobicContact CD1-CG 3.93Å
655	F	98.4	Very high	92.2	Very high	7 Å²	7	58.2 Å²	58.2	3%	0.031	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	88.5	-174.2	-58.2	-87.1	0	0	0	111.3	V603 S605 D652 F657 K692 K695 V696 L699	V603-F655 PolarHBondContact O-N 3.11Å; S605-F655 PolarHBondContact N-O 3.08Å; D652-F655 HydrophobicContact CB-CZ 4.46Å; D652-F655 WeakPolarHBondContact O-CE2 3.33Å; D652-F655 VanDerWaalsContact O-CZ 3.25Å; D652-F655 WeakPolarHBondContact O-CZ 3.21Å; F655-F657 HydrophobicContact CB-CE2 3.85Å; F655-K692 HydrophobicContact CD1-CG 3.97Å; F655-K695 HydrophobicContact CE1-CD 4.35Å; F655-K695 HydrophobicContact CE1-CG 4.45Å; F655-V696 HydrophobicContact CB-CG2 3.67Å; F655-V696 HydrophobicContact CD1-CG2 3.5Å; F655-V696 VanDerWaalsContact CD1-CG2 3.5Å; F655-V696 HydrophobicContact CD2-CG2 3.67Å; F655-V696 HydrophobicContact CE1-CG2 4.02Å; F655-V696 HydrophobicContact CE2-CG2 4.17Å; F655-V696 HydrophobicContact CG-CG2 3.3Å; F655-V696 HydrophobicContact CZ-CG2 4.33Å; F655-L699 HydrophobicContact CE2-CD1 3.54Å; F655-L699 HydrophobicContact CZ-CD1 3.54Å
656	R	97.8	Very high	91.6	Very high	4 Å²	4	60.3 Å²	60.3	2%	0.015	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	130.6	165.5	-171.4	77	172.2	147.2	2.4	111.1	D396 S605 T638 E639 H642 N658 K692	D396-R656 VanDerWaalsContact CG-NH1 3.3Å; D396-R656 IonicContact OD1-NH1 2.7Å; D396-R656 PolarHBondContact OD1-NH1 2.89Å; D396-R656 IonicContact OD2-CZ 3.81Å; D396-R656 IonicContact OD2-NH1 2.97Å; D396-R656 PolarHBondContact OD2-NH1 3.41Å; D396-R656 IonicContact OD2-NH2 3.93Å; D396-R656 PolarHBondContact OD2-NH2 3.13Å; S605-R656 CarbonylContact O-C 3.52Å; S605-R656 WeakPolarHBondContact O-CA 3.19Å; S605-R656 WeakPolarHBondContact OG-CD 3.25Å; S605-R656 PolarHBondContact OG-NH1 3.16Å; T638-R656 PolarHBondContact OG1-NH2 3.31Å; E639-R656 IonicContact OE1-CZ 3.58Å; E639-R656 VanDerWaalsContact OE1-CZ 3.29Å; E639-R656 IonicContact OE1-NE 3.72Å; E639-R656 PolarHBondContact OE1-NE 2.9Å; E639-R656 IonicContact OE1-NH2 3.36Å; E639-R656 PolarHBondContact OE1-NH2 2.87Å; H642-R656 HydrophobicContact CB-CG 4.4Å; R656-N658 HydrophobicContact CG-CB 4.32Å; R656-N658 PolarHBondContact NH2-ND2 3.28Å; R656-K692 PolarHBondContact O-NZ 2.91Å
657	F	97.9	Very high	90.9	Very high	1 Å²	1	58.5 Å²	58.5	0%	0.004	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	106.2	163.3	-62.7	-91.8	0	0	0	107.7	T408 V604 S605 L606 G607 F655 Y685 L686 K692 L693 V696	T408-F657 HydrophobicContact CG2-CB 4.2Å; T408-F657 HydrophobicContact CG2-CD1 4.35Å; T408-F657 HydrophobicContact CG2-CD2 4.23Å; T408-F657 HydrophobicContact CG2-CG 4.02Å; V604-F657 HydrophobicContact CG1-CD2 4.2Å; V604-F657 HydrophobicContact CG1-CE2 4.27Å; S605-F657 PolarHBondContact O-N 3.23Å; L606-F657 HydrophobicContact CD2-CB 3.91Å; L606-F657 HydrophobicContact CD2-CD2 4Å; L606-F657 HydrophobicContact CD2-CG 4.33Å; G607-F657 PolarHBondContact N-O 3.44Å; F655-F657 HydrophobicContact CB-CE2 3.85Å; F657-Y685 HydrophobicContact CB-CE1 4.24Å; F657-Y685 HydrophobicContact CD1-CE1 4.27Å; F657-L686 HydrophobicContact CD1-CD2 4.21Å; F657-K692 HydrophobicContact CE1-CB 4.18Å; F657-K692 HydrophobicContact CE1-CD 3.97Å; F657-K692 HydrophobicContact CE1-CG 4.03Å; F657-K692 HydrophobicContact CZ-CB 4.34Å; F657-K692 HydrophobicContact CZ-CD 4.12Å; F657-K692 HydrophobicContact CZ-CG 3.89Å; F657-L693 HydrophobicContact CE1-CB 4.32Å; F657-L693 HydrophobicContact CE1-CD1 4.08Å; F657-L693 HydrophobicContact CE2-CD1 4.4Å; F657-L693 HydrophobicContact CZ-CB 4.4Å; F657-L693 HydrophobicContact CZ-CD1 3.82Å; F657-V696 HydrophobicContact CE2-CG2 4.08Å; F657-V696 HydrophobicContact CZ-CG2 4.11Å
658	N	96	Very high	90.2	Very high	3 Å²	3	56.6 Å²	56.6	2%	0.016	30%	0.295	C	S	.	.			trans	-139.2	104.2	175.7	-167.3	11.4	0	0	0	108.1	G609 R610 E639 R656 Y685	G609-N658 WeakPolarHBondContact CA-OD1 3.48Å; G609-N658 PolarHBondContact N-OD1 2.95Å; R610-N658 PolarHBondContact N-OD1 3.36Å; E639-N658 PolarHBondContact OE1-ND2 3.46Å; R656-N658 HydrophobicContact CG-CB 4.32Å; R656-N658 PolarHBondContact NH2-ND2 3.28Å; N658-Y685 PolarHBondContact N-OH 3.33Å
659	P	92.8	Very high	89.7	Confident	4 Å²	4	49.2 Å²	49.2	3%	0.026	26%	0.263	C	S	.	.			trans	-71.3	147.9	-175.9	28.1	-33.1	0	0	0	111.2	L404 G609 R610 Y685	L404-P659 HydrophobicContact CB-CG 4.26Å; L404-P659 HydrophobicContact CD1-CG 3.96Å; L404-P659 HydrophobicContact CD2-CG 4Å; L404-P659 HydrophobicContact CG-CG 4.3Å; G609-P659 WeakPolarHBondContact CA-O 3.39Å; R610-P659 PolarHBondContact N-O 3.16Å; P659-Y685 HydrophobicContact CB-CD1 3.84Å; P659-Y685 HydrophobicContact CB-CD2 3.99Å; P659-Y685 HydrophobicContact CB-CE1 4.38Å; P659-Y685 HydrophobicContact CB-CG 3.61Å
660	F	88.6	Confident	89.2	Confident	87 Å²	87	49.6 Å²	49.6	38%	0.382	27%	0.269	S	S	.	.	B	Isolated β-bridge	trans	-74.4	132.5	161.7	-72.9	-64	0	0	0	109.6	R610 E612	R610-F660 HydrophobicContact CG-CD1 3.7Å; R610-F660 HydrophobicContact CG-CE1 3.96Å; R610-F660 HydrophobicContact CG-CG 4.49Å; R610-F660 WeakPolarHBondContact O-CA 3.39Å; E612-F660 HydrophobicContact CG-CD1 3.63Å; E612-F660 HydrophobicContact CG-CE1 3.29Å; E612-F660 HydrophobicContact CG-CZ 3.96Å; E612-F660 WeakPolarHBondContact OE1-CE1 3.3Å; E612-F660 WeakPolarHBondContact OE1-CZ 3.45Å
661	V	85.9	Confident	88.9	Confident	11 Å²	11	52.6 Å²	52.6	7%	0.067	27%	0.27	C	S	.	.			trans	-110.8	132.7	177.1	-174.8	0	0	0	0	108.6	L404 R610 E663 L678	L404-V661 HydrophobicContact CD1-CG2 4.14Å; R610-V661 PolarHBondContact O-N 3.38Å; V661-E663 WeakPolarHBondContact CG1-O 3.43Å; V661-L678 HydrophobicContact CG1-CD2 3.56Å; V661-L678 HydrophobicContact CG2-CD2 4.16Å
662	N	81.7	Confident	88.6	Confident	135 Å²	135	51.9 Å²	51.9	72%	0.722	26%	0.259	S	S	*	.	S	Bend	trans	-80.2	-18.9	-173	-64.6	-74.2	0	0	0	114	E681	N662-E681 PolarHBondContact N-OE2 3.05Å; N662-E681 VanDerWaalsContact ND2-CD 3.31Å; N662-E681 PolarHBondContact ND2-OE1 2.98Å; N662-E681 PolarHBondContact ND2-OE2 3.3Å; N662-E681 VanDerWaalsContact ND2-OE2 3.12Å
663	E	81.1	Confident	88.5	Confident	83 Å²	83	55.1 Å²	55.1	39%	0.388	27%	0.271	S	S	.	.	S	Bend	trans	-124.6	143	-178.6	-168.6	-176.3	173.3	0	0	110.4	V661 V665 K674	V661-E663 WeakPolarHBondContact CG1-O 3.43Å; E663-V665 PolarHBondContact O-N 2.95Å; E663-K674 IonicContact OE1-NZ 2.75Å; E663-K674 PolarHBondContact OE1-NZ 3.39Å; E663-K674 IonicContact OE2-NZ 3.86Å; E663-K674 PolarHBondContact OE2-NZ 2.64Å
664	E	78.8	Confident	88.2	Confident	164 Å²	164	56.1 Å²	56.1	77%	0.766	27%	0.274	S	S	*	.			trans	-73	94.5	172.6	-174.7	170.6	-158.7	0	0	110.3	I611	I611-E664 HydrophobicContact CD1-CB 4.01Å; I611-E664 HydrophobicContact CD1-CG 3.93Å
665	V	82.9	Confident	87.8	Confident	9 Å²	9	55.6 Å²	55.6	6%	0.055	27%	0.273	C	S	.	.			trans	-90.5	121.4	176.2	-177.4	0	0	0	0	110.2	E663 E669 L678	E663-V665 PolarHBondContact O-N 2.95Å; V665-E669 HydrophobicContact CG1-CB 3.65Å; V665-E669 HydrophobicContact CG1-CG 3.74Å; V665-L678 HydrophobicContact CB-CD1 4.35Å; V665-L678 HydrophobicContact CB-CD2 4.33Å; V665-L678 HydrophobicContact CG1-CD1 3.96Å; V665-L678 HydrophobicContact CG2-CD2 3.96Å; V665-L678 HydrophobicContact CG2-CG 4.28Å
666	P	84.3	Confident	87.5	Confident	61 Å²	61	58.7 Å²	58.7	40%	0.396	29%	0.289	S	S	.	.			trans	-59.3	159.8	176.7	-26.3	35.5	0	0	0	114.5	D668 E669	P666-D668 VanDerWaalsContact C-N 3.31Å; P666-D668 WeakPolarHBondContact CB-OD1 3.22Å; P666-D668 PolarHBondContact O-N 3.38Å; P666-E669 HydrophobicContact CB-CB 4.39Å; P666-E669 WeakPolarHBondContact O-CB 3.48Å; P666-E669 PolarHBondContact O-N 3.28Å
667	M	80.8	Confident	87.3	Confident	58 Å²	58	61.3 Å²	61.3	29%	0.286	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-25.5	-178.5	-67.7	177	61.7	0	0	112.8	G398 G399 L400	G398-M667 WeakPolarHBondContact O-CG 3.4Å; G399-M667 CarbonylContact C-O 3.58Å; G399-M667 WeakPolarHBondContact CA-O 3.3Å; L400-M667 PolarHBondContact N-O 2.87Å
668	D	80.6	Confident	87	Confident	42 Å²	42	61.3 Å²	61.3	23%	0.225	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.4	-0.2	177.7	56.4	-53.9	0	0	0	114	F462 Y480 Y562 P666 S670	F462-D668 HydrophobicContact CD1-CB 4.01Å; F462-D668 HydrophobicContact CE1-CB 4.13Å; F462-D668 HydrophobicContact CG-CB 4.27Å; Y480-D668 HydrophobicContact CE2-CB 4.31Å; Y480-D668 PolarHBondContact OH-OD2 2.76Å; Y562-D668 HydrophobicContact CD1-CB 4.28Å; Y562-D668 HydrophobicContact CE1-CB 3.78Å; P666-D668 VanDerWaalsContact C-N 3.31Å; P666-D668 WeakPolarHBondContact CB-OD1 3.22Å; P666-D668 PolarHBondContact O-N 3.38Å; D668-S670 PolarHBondContact O-N 3.4Å
669	E	86.2	Confident	86.9	Confident	19 Å²	19	63.3 Å²	63.3	9%	0.089	31%	0.313	C	S	.	.			trans	-63.7	103.8	-175.9	179.4	60.3	-93.1	0	0	111.8	L400 V665 P666 R671 K674 L675	L400-E669 WeakPolarHBondContact CD1-O 3.3Å; V665-E669 HydrophobicContact CG1-CB 3.65Å; V665-E669 HydrophobicContact CG1-CG 3.74Å; P666-E669 HydrophobicContact CB-CB 4.39Å; P666-E669 WeakPolarHBondContact O-CB 3.48Å; P666-E669 PolarHBondContact O-N 3.28Å; E669-R671 WeakPolarHBondContact OE1-CB 3.29Å; E669-R671 WeakPolarHBondContact OE1-CG 3.44Å; E669-R671 IonicContact OE1-CZ 3.61Å; E669-R671 PolarHBondContact OE1-N 2.87Å; E669-R671 IonicContact OE1-NE 2.74Å; E669-R671 PolarHBondContact OE1-NE 3.02Å; E669-R671 IonicContact OE2-CZ 2.69Å; E669-R671 VanDerWaalsContact OE2-CZ 3.25Å; E669-R671 IonicContact OE2-NE 3.17Å; E669-R671 PolarHBondContact OE2-NE 2.91Å; E669-R671 IonicContact OE2-NH2 3.87Å; E669-R671 PolarHBondContact OE2-NH2 2.92Å; E669-K674 HydrophobicContact CG-CB 3.53Å; E669-K674 HydrophobicContact CG-CG 3.96Å; E669-L675 WeakPolarHBondContact O-CD2 3.37Å
670	S	84.9	Confident	86.9	Confident	39 Å²	39	64.9 Å²	64.9	27%	0.273	33%	0.326	S	S	.	.			trans	-102.3	-2.8	-176.5	47.7	0	0	0	0	113.5	D668 L672	D668-S670 PolarHBondContact O-N 3.4Å; S670-L672 PolarHBondContact O-N 2.71Å
671	R	86.9	Confident	87.1	Confident	139 Å²	139	61.4 Å²	61.4	53%	0.525	31%	0.311	S	S	.	.			trans	-66.2	121.6	177	-67.3	178.6	-69.7	173.2	-5	110.7	E669 E673 K674 L675	E669-R671 WeakPolarHBondContact OE1-CB 3.29Å; E669-R671 WeakPolarHBondContact OE1-CG 3.44Å; E669-R671 IonicContact OE1-CZ 3.61Å; E669-R671 PolarHBondContact OE1-N 2.87Å; E669-R671 IonicContact OE1-NE 2.74Å; E669-R671 PolarHBondContact OE1-NE 3.02Å; E669-R671 IonicContact OE2-CZ 2.69Å; E669-R671 VanDerWaalsContact OE2-CZ 3.25Å; E669-R671 IonicContact OE2-NE 3.17Å; E669-R671 PolarHBondContact OE2-NE 2.91Å; E669-R671 IonicContact OE2-NH2 3.87Å; E669-R671 PolarHBondContact OE2-NH2 2.92Å; R671-E673 PolarHBondContact O-N 2.95Å; R671-E673 VanDerWaalsContact O-N 3.1Å; R671-K674 PolarHBondContact O-N 3.3Å; R671-L675 PolarHBondContact O-N 2.84Å; R671-L675 VanDerWaalsContact O-N 3.14Å
672	L	87.3	Confident	87.5	Confident	107 Å²	107	61 Å²	61	56%	0.56	31%	0.309	S	S	*	.	H	α-helix	trans	-54.1	-34.5	-177.4	-175.4	59.3	0	0	0	113.1	S670 K674 L675 N676	S670-L672 PolarHBondContact O-N 2.71Å; L672-K674 PolarHBondContact O-N 2.84Å; L672-L675 PolarHBondContact O-N 2.78Å; L672-N676 VanDerWaalsContact O-CB 3.25Å; L672-N676 WeakPolarHBondContact O-CB 3.28Å; L672-N676 PolarHBondContact O-N 3.37Å; L672-N676 PolarHBondContact O-ND2 2.95Å; L672-N676 PolarHBondContact O-OD1 2.87Å
673	E	90.4	Very high	88.2	Confident	154 Å²	154	56.7 Å²	56.7	72%	0.72	29%	0.285	S	S	*	.	H	α-helix	trans	-58.2	-45.7	174.4	-63.3	174.3	174	0	0	112.8	R671 N676 L677	R671-E673 PolarHBondContact O-N 2.95Å; R671-E673 VanDerWaalsContact O-N 3.1Å; E673-N676 PolarHBondContact O-N 2.88Å; E673-L677 PolarHBondContact O-N 3.31Å
674	K	90.4	Very high	88.9	Confident	37 Å²	37	57.6 Å²	57.6	16%	0.161	29%	0.286	C	S	.	.	H	α-helix	trans	-74	-37.8	-179.4	-67.7	-75.6	167.6	177.1	0	111.4	E663 E669 R671 L672 N676 L677 L678	E663-K674 IonicContact OE1-NZ 2.75Å; E663-K674 PolarHBondContact OE1-NZ 3.39Å; E663-K674 IonicContact OE2-NZ 3.86Å; E663-K674 PolarHBondContact OE2-NZ 2.64Å; E669-K674 HydrophobicContact CG-CB 3.53Å; E669-K674 HydrophobicContact CG-CG 3.96Å; R671-K674 PolarHBondContact O-N 3.3Å; L672-K674 PolarHBondContact O-N 2.84Å; K674-N676 VanDerWaalsContact C-N 3.33Å; K674-N676 PolarHBondContact O-N 3.46Å; K674-L677 WeakPolarHBondContact O-CB 3.31Å; K674-L677 PolarHBondContact O-N 3.4Å; K674-L678 WeakPolarHBondContact O-CG 3.44Å; K674-L678 PolarHBondContact O-N 2.92Å
675	L	90.3	Very high	89.7	Confident	4 Å²	4	51.9 Å²	51.9	2%	0.021	26%	0.257	C	S	.	.	H	α-helix	trans	-64.7	-37	173	-62.6	179.3	0	0	0	112.1	L400 V403 R455 E669 R671 L672 L678 Q679	L400-L675 HydrophobicContact CB-CD2 3.87Å; V403-L675 HydrophobicContact CG1-CD2 4.45Å; V403-L675 HydrophobicContact CG2-CD2 4.5Å; R455-L675 HydrophobicContact CG-CD1 4.4Å; E669-L675 WeakPolarHBondContact O-CD2 3.37Å; R671-L675 PolarHBondContact O-N 2.84Å; R671-L675 VanDerWaalsContact O-N 3.14Å; L672-L675 PolarHBondContact O-N 2.78Å; L675-L678 HydrophobicContact CD2-CD1 4.49Å; L675-Q679 WeakPolarHBondContact O-CB 3.22Å; L675-Q679 PolarHBondContact O-N 3.41Å
676	N	92.4	Very high	90.4	Very high	71 Å²	71	51.8 Å²	51.8	38%	0.38	26%	0.256	S	S	.	.	H	α-helix	trans	-72.3	-34.3	174.9	-69.6	-7.3	0	0	0	112.3	R455 L672 E673 K674 Q679 A680	R455-N676 PolarHBondContact NH1-OD1 3.24Å; L672-N676 VanDerWaalsContact O-CB 3.25Å; L672-N676 WeakPolarHBondContact O-CB 3.28Å; L672-N676 PolarHBondContact O-N 3.37Å; L672-N676 PolarHBondContact O-ND2 2.95Å; L672-N676 PolarHBondContact O-OD1 2.87Å; E673-N676 PolarHBondContact O-N 2.88Å; K674-N676 VanDerWaalsContact C-N 3.33Å; K674-N676 PolarHBondContact O-N 3.46Å; N676-Q679 PolarHBondContact O-N 3.32Å; N676-A680 WeakPolarHBondContact O-CB 3.47Å; N676-A680 PolarHBondContact O-N 3.4Å
677	L	92.5	Very high	90.9	Very high	60 Å²	60	54.4 Å²	54.4	31%	0.314	26%	0.263	S	S	.	.	H	α-helix	trans	-60	-52.4	169.8	176.3	61.2	0	0	0	110.6	E673 K674 Q679 A680 E681	E673-L677 PolarHBondContact O-N 3.31Å; K674-L677 WeakPolarHBondContact O-CB 3.31Å; K674-L677 PolarHBondContact O-N 3.4Å; L677-Q679 VanDerWaalsContact C-N 3.33Å; L677-Q679 PolarHBondContact O-N 2.98Å; L677-A680 PolarHBondContact O-N 3.4Å; L677-A680 VanDerWaalsContact O-N 3.1Å; L677-E681 HydrophobicContact CD1-CG 4.25Å; L677-E681 HydrophobicContact CG-CG 4.41Å; L677-E681 WeakPolarHBondContact O-CG 3.29Å; L677-E681 PolarHBondContact O-N 3.26Å
678	L	92.5	Very high	91.7	Very high	1 Å²	1	61.9 Å²	61.9	1%	0.005	29%	0.288	C	S	.	.	H	α-helix	trans	-55.6	-46.9	175.7	-71.1	178.4	0	0	0	111.7	R401 V403 L404 V661 V665 K674 L675 A680 E681 G682	R401-L678 HydrophobicContact CB-CD1 4.32Å; R401-L678 HydrophobicContact CG-CD1 3.93Å; V403-L678 HydrophobicContact CG2-CB 3.95Å; V403-L678 HydrophobicContact CG2-CD1 4.22Å; L404-L678 HydrophobicContact CD1-CD2 4.41Å; L404-L678 HydrophobicContact CD2-CB 4.19Å; L404-L678 WeakPolarHBondContact CD2-O 3.45Å; L404-L678 HydrophobicContact CG-CB 4.46Å; V661-L678 HydrophobicContact CG1-CD2 3.56Å; V661-L678 HydrophobicContact CG2-CD2 4.16Å; V665-L678 HydrophobicContact CB-CD1 4.35Å; V665-L678 HydrophobicContact CB-CD2 4.33Å; V665-L678 HydrophobicContact CG1-CD1 3.96Å; V665-L678 HydrophobicContact CG2-CD2 3.96Å; V665-L678 HydrophobicContact CG2-CG 4.28Å; K674-L678 WeakPolarHBondContact O-CG 3.44Å; K674-L678 PolarHBondContact O-N 2.92Å; L675-L678 HydrophobicContact CD2-CD1 4.49Å; L678-A680 VanDerWaalsContact C-N 3.32Å; L678-A680 PolarHBondContact O-N 3.33Å; L678-E681 PolarHBondContact O-N 2.9Å; L678-E681 VanDerWaalsContact O-N 3.16Å; L678-G682 PolarHBondContact O-N 3.37Å
679	Q	93.1	Very high	92.5	Very high	44 Å²	44	61.9 Å²	61.9	21%	0.206	29%	0.288	C	S	.	.	H	α-helix	trans	-56.1	-45.4	175.3	171.1	164.6	36.9	0	0	112.2	Q407 R455 L675 N676 L677 E681 G682 L683	Q407-Q679 HydrophobicContact CG-CG 4.12Å; R455-Q679 VanDerWaalsContact NH2-CD 3.27Å; L675-Q679 WeakPolarHBondContact O-CB 3.22Å; L675-Q679 PolarHBondContact O-N 3.41Å; N676-Q679 PolarHBondContact O-N 3.32Å; L677-Q679 VanDerWaalsContact C-N 3.33Å; L677-Q679 PolarHBondContact O-N 2.98Å; Q679-E681 VanDerWaalsContact C-N 3.34Å; Q679-E681 PolarHBondContact O-N 2.87Å; Q679-G682 PolarHBondContact O-N 2.92Å; Q679-L683 HydrophobicContact CG-CD1 3.99Å; Q679-L683 WeakPolarHBondContact O-CB 3.47Å; Q679-L683 VanDerWaalsContact O-CG 3.29Å; Q679-L683 WeakPolarHBondContact O-CG 3.31Å; Q679-L683 PolarHBondContact O-N 2.96Å
680	A	93.5	Very high	92.9	Very high	37 Å²	37	64.8 Å²	64.8	31%	0.306	30%	0.302	S	S	.	.	H	α-helix	trans	-66.9	-32.9	178	0	0	0	0	0	112.9	N676 L677 L678 R684	N676-A680 WeakPolarHBondContact O-CB 3.47Å; N676-A680 PolarHBondContact O-N 3.4Å; L677-A680 PolarHBondContact O-N 3.4Å; L677-A680 VanDerWaalsContact O-N 3.1Å; L678-A680 VanDerWaalsContact C-N 3.32Å; L678-A680 PolarHBondContact O-N 3.33Å; A680-R684 WeakPolarHBondContact O-CB 3.45Å; A680-R684 WeakPolarHBondContact O-CG 3.33Å; A680-R684 PolarHBondContact O-N 2.85Å; A680-R684 VanDerWaalsContact O-N 3.16Å; A680-R684 PolarHBondContact O-NE 3.27Å
681	E	93.1	Very high	93.5	Very high	14 Å²	14	67.9 Å²	67.9	7%	0.065	31%	0.312	C	S	.	.	H	α-helix	trans	-69.3	-45.1	174	-52.4	-117.7	104.1	0	0	110.8	N662 L677 L678 Q679 L683 R684 Y685	N662-E681 PolarHBondContact N-OE2 3.05Å; N662-E681 VanDerWaalsContact ND2-CD 3.31Å; N662-E681 PolarHBondContact ND2-OE1 2.98Å; N662-E681 PolarHBondContact ND2-OE2 3.3Å; N662-E681 VanDerWaalsContact ND2-OE2 3.12Å; L677-E681 HydrophobicContact CD1-CG 4.25Å; L677-E681 HydrophobicContact CG-CG 4.41Å; L677-E681 WeakPolarHBondContact O-CG 3.29Å; L677-E681 PolarHBondContact O-N 3.26Å; L678-E681 PolarHBondContact O-N 2.9Å; L678-E681 VanDerWaalsContact O-N 3.16Å; Q679-E681 VanDerWaalsContact C-N 3.34Å; Q679-E681 PolarHBondContact O-N 2.87Å; E681-L683 PolarHBondContact O-N 3.42Å; E681-R684 PolarHBondContact O-N 3.38Å; E681-R684 IonicContact OE1-CZ 2.72Å; E681-R684 IonicContact OE1-NH1 3.16Å; E681-R684 PolarHBondContact OE1-NH1 2.96Å; E681-R684 IonicContact OE1-NH2 3.29Å; E681-Y685 WeakPolarHBondContact O-CB 3.26Å; E681-Y685 PolarHBondContact O-N 2.83Å
682	G	94.4	Very high	94.1	Very high	2 Å²	2	64.3 Å²	64.3	2%	0.021	30%	0.3	C	S	.	.	H	α-helix	trans	-60.7	-42.7	175.9	0	0	0	0	0	112.7	L678 Q679 Y685 L686	L678-G682 PolarHBondContact O-N 3.37Å; Q679-G682 PolarHBondContact O-N 2.92Å; G682-Y685 PolarHBondContact O-N 3.33Å; G682-L686 WeakPolarHBondContact O-CB 3.15Å; G682-L686 VanDerWaalsContact O-CG 3.24Å; G682-L686 WeakPolarHBondContact O-CG 3.44Å; G682-L686 PolarHBondContact O-N 3.24Å
683	L	95.3	Very high	94.5	Very high	45 Å²	45	59.4 Å²	59.4	24%	0.236	28%	0.275	C	S	.	.	H	α-helix	trans	-63	-47.8	175.1	-71.5	168.7	0	0	0	111.8	Q407 K411 Q679 E681 Y685 L686 E687	Q407-L683 HydrophobicContact CG-CG 4.48Å; K411-L683 VanDerWaalsContact CE-CD2 3.47Å; Q679-L683 HydrophobicContact CG-CD1 3.99Å; Q679-L683 WeakPolarHBondContact O-CB 3.47Å; Q679-L683 VanDerWaalsContact O-CG 3.29Å; Q679-L683 WeakPolarHBondContact O-CG 3.31Å; Q679-L683 PolarHBondContact O-N 2.96Å; E681-L683 PolarHBondContact O-N 3.42Å; L683-Y685 VanDerWaalsContact C-N 3.27Å; L683-Y685 PolarHBondContact O-N 3.23Å; L683-L686 PolarHBondContact O-N 2.84Å; L683-L686 VanDerWaalsContact O-N 3.1Å; L683-E687 WeakPolarHBondContact O-CG 3.36Å; L683-E687 PolarHBondContact O-N 3.01Å
684	R	95.4	Very high	94.9	Very high	103 Å²	103	56.3 Å²	56.3	39%	0.389	26%	0.256	S	S	.	.	H	α-helix	trans	-60	-33.8	175	-78.6	178	-89.7	127.9	-7.1	112.9	A680 E681 R688	A680-R684 WeakPolarHBondContact O-CB 3.45Å; A680-R684 WeakPolarHBondContact O-CG 3.33Å; A680-R684 PolarHBondContact O-N 2.85Å; A680-R684 VanDerWaalsContact O-N 3.16Å; A680-R684 PolarHBondContact O-NE 3.27Å; E681-R684 PolarHBondContact O-N 3.38Å; E681-R684 IonicContact OE1-CZ 2.72Å; E681-R684 IonicContact OE1-NH1 3.16Å; E681-R684 PolarHBondContact OE1-NH1 2.96Å; E681-R684 IonicContact OE1-NH2 3.29Å; R684-R688 WeakPolarHBondContact O-CG 3.29Å; R684-R688 PolarHBondContact O-N 3.4Å
685	Y	96.4	Very high	95.3	Very high	44 Å²	44	57.9 Å²	57.9	17%	0.173	26%	0.263	C	S	.	.	H	α-helix	trans	-69.6	-43.2	172.8	169.9	-97.4	0	0	0	112.1	F657 N658 P659 E681 G682 L683 R688 N689	F657-Y685 HydrophobicContact CB-CE1 4.24Å; F657-Y685 HydrophobicContact CD1-CE1 4.27Å; N658-Y685 PolarHBondContact N-OH 3.33Å; P659-Y685 HydrophobicContact CB-CD1 3.84Å; P659-Y685 HydrophobicContact CB-CD2 3.99Å; P659-Y685 HydrophobicContact CB-CE1 4.38Å; P659-Y685 HydrophobicContact CB-CG 3.61Å; E681-Y685 WeakPolarHBondContact O-CB 3.26Å; E681-Y685 PolarHBondContact O-N 2.83Å; G682-Y685 PolarHBondContact O-N 3.33Å; L683-Y685 VanDerWaalsContact C-N 3.27Å; L683-Y685 PolarHBondContact O-N 3.23Å; Y685-R688 PolarHBondContact O-N 2.89Å; Y685-N689 WeakPolarHBondContact CE2-ND2 3.43Å; Y685-N689 WeakPolarHBondContact O-CB 3.48Å; Y685-N689 PolarHBondContact O-N 3Å; Y685-N689 VanDerWaalsContact O-N 3.11Å; Y685-N689 PolarHBondContact O-ND2 3.19Å
686	L	96.8	Very high	95.6	Very high	6 Å²	6	57.7 Å²	57.7	3%	0.031	26%	0.262	C	S	.	.	H	α-helix	trans	-68.3	-35	-179.7	-70.3	165.8	0	0	0	112.5	Q407 T408 K411 F657 G682 L683 N689 E690 L693	Q407-L686 HydrophobicContact CB-CD1 3.88Å; T408-L686 HydrophobicContact CG2-CD2 3.85Å; K411-L686 HydrophobicContact CG-CD1 4.18Å; F657-L686 HydrophobicContact CD1-CD2 4.21Å; G682-L686 WeakPolarHBondContact O-CB 3.15Å; G682-L686 VanDerWaalsContact O-CG 3.24Å; G682-L686 WeakPolarHBondContact O-CG 3.44Å; G682-L686 PolarHBondContact O-N 3.24Å; L683-L686 PolarHBondContact O-N 2.84Å; L683-L686 VanDerWaalsContact O-N 3.1Å; L686-N689 CarbonylContact O-C 3.45Å; L686-N689 VanDerWaalsContact O-C 3.3Å; L686-N689 PolarHBondContact O-N 2.64Å; L686-N689 VanDerWaalsContact O-N 3.12Å; L686-E690 WeakPolarHBondContact O-CA 3.45Å; L686-E690 PolarHBondContact O-N 3.06Å; L686-L693 HydrophobicContact CD2-CD2 4.44Å
687	E	96.3	Very high	95.9	Very high	116 Å²	116	54.7 Å²	54.7	54%	0.542	25%	0.247	S	C	.	.	H	α-helix	trans	-59.8	-44.9	171	-73.1	159.8	-174.2	0	0	111.5	L683 N689 E690	L683-E687 WeakPolarHBondContact O-CG 3.36Å; L683-E687 PolarHBondContact O-N 3.01Å; E687-N689 PolarHBondContact O-N 2.91Å; E687-E690 PolarHBondContact O-N 3.35Å
688	R	96.6	Very high	96.1	Very high	216 Å²	216	58.2 Å²	58.2	82%	0.815	26%	0.256	S	S	*	.	H	α-helix	trans	-67.4	-18.9	174.3	-67.6	171.2	-179.3	-175.5	-0.5	113.9	R684 Y685	R684-R688 WeakPolarHBondContact O-CG 3.29Å; R684-R688 PolarHBondContact O-N 3.4Å; Y685-R688 PolarHBondContact O-N 2.89Å
689	N	96.9	Very high	96.3	Very high	42 Å²	42	59.3 Å²	59.3	23%	0.225	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.8	18.7	-177.9	-74.5	-94.4	0	0	0	112.5	Y685 L686 E687 E691 K692 L693	Y685-N689 WeakPolarHBondContact CE2-ND2 3.43Å; Y685-N689 WeakPolarHBondContact O-CB 3.48Å; Y685-N689 PolarHBondContact O-N 3Å; Y685-N689 VanDerWaalsContact O-N 3.11Å; Y685-N689 PolarHBondContact O-ND2 3.19Å; L686-N689 CarbonylContact O-C 3.45Å; L686-N689 VanDerWaalsContact O-C 3.3Å; L686-N689 PolarHBondContact O-N 2.64Å; L686-N689 VanDerWaalsContact O-N 3.12Å; E687-N689 PolarHBondContact O-N 2.91Å; N689-E691 VanDerWaalsContact C-N 3.32Å; N689-E691 PolarHBondContact O-N 3.21Å; N689-K692 WeakPolarHBondContact O-CA 3.49Å; N689-K692 VanDerWaalsContact O-CB 3.31Å; N689-K692 WeakPolarHBondContact O-CB 3.23Å; N689-K692 PolarHBondContact O-N 3.45Å; N689-L693 PolarHBondContact O-N 2.99Å; N689-L693 VanDerWaalsContact O-N 3.14Å
690	E	96.6	Very high	96.5	Very high	79 Å²	79	57.4 Å²	57.4	37%	0.369	25%	0.253	S	S	.	.	H	α-helix	trans	-61.1	-37.5	-167.8	-160	-171.3	-179.2	0	0	112.8	L686 E687 K692 L693 R694	L686-E690 WeakPolarHBondContact O-CA 3.45Å; L686-E690 PolarHBondContact O-N 3.06Å; E687-E690 PolarHBondContact O-N 3.35Å; E690-K692 VanDerWaalsContact C-N 3.33Å; E690-K692 PolarHBondContact O-N 2.79Å; E690-L693 PolarHBondContact O-N 2.83Å; E690-L693 VanDerWaalsContact O-N 3.16Å; E690-R694 HydrophobicContact CG-CG 4.44Å; E690-R694 WeakPolarHBondContact O-CB 3.41Å; E690-R694 WeakPolarHBondContact O-CG 3.34Å; E690-R694 PolarHBondContact O-N 3.46Å; E690-R694 IonicContact OE1-CZ 3.67Å; E690-R694 VanDerWaalsContact OE1-CZ 3.28Å; E690-R694 IonicContact OE1-NE 2.71Å; E690-R694 PolarHBondContact OE1-NE 3.41Å; E690-R694 IonicContact OE1-NH2 3.75Å; E690-R694 PolarHBondContact OE1-NH2 3.4Å; E690-R694 IonicContact OE2-CZ 2.65Å; E690-R694 VanDerWaalsContact OE2-CZ 3.22Å; E690-R694 IonicContact OE2-NE 2.76Å; E690-R694 IonicContact OE2-NH1 3.28Å; E690-R694 IonicContact OE2-NH2 3.89Å; E690-R694 PolarHBondContact OE2-NH2 3.2Å
691	E	97.4	Very high	96.6	Very high	104 Å²	104	58.6 Å²	58.6	49%	0.486	26%	0.257	S	S	.	.	H	α-helix	trans	-65	-33.5	174.9	-81.3	-51.7	128.6	0	0	113.5	N689 L693 R694 K695 R698	N689-E691 VanDerWaalsContact C-N 3.32Å; N689-E691 PolarHBondContact O-N 3.21Å; E691-L693 VanDerWaalsContact C-N 3.33Å; E691-R694 WeakPolarHBondContact OE1-CD 3.23Å; E691-R694 IonicContact OE1-CZ 3.52Å; E691-R694 IonicContact OE1-NE 3.22Å; E691-R694 IonicContact OE1-NH1 3.65Å; E691-R694 PolarHBondContact OE1-NH1 2.97Å; E691-K695 VanDerWaalsContact O-CB 3.28Å; E691-K695 WeakPolarHBondContact O-CB 3.17Å; E691-K695 PolarHBondContact O-N 3.39Å; E691-R698 IonicContact OE2-NH1 3.56Å; E691-R698 IonicContact OE2-NH2 2.62Å
692	K	97.6	Very high	96.7	Very high	64 Å²	64	63.1 Å²	63.1	28%	0.278	27%	0.273	S	S	.	.	H	α-helix	trans	-64	-42.6	172.9	-165.5	179.2	-169.7	175.4	0	110	F655 R656 F657 N689 E690 K695 V696	F655-K692 HydrophobicContact CD1-CG 3.97Å; R656-K692 PolarHBondContact O-NZ 2.91Å; F657-K692 HydrophobicContact CE1-CB 4.18Å; F657-K692 HydrophobicContact CE1-CD 3.97Å; F657-K692 HydrophobicContact CE1-CG 4.03Å; F657-K692 HydrophobicContact CZ-CB 4.34Å; F657-K692 HydrophobicContact CZ-CD 4.12Å; F657-K692 HydrophobicContact CZ-CG 3.89Å; N689-K692 WeakPolarHBondContact O-CA 3.49Å; N689-K692 VanDerWaalsContact O-CB 3.31Å; N689-K692 WeakPolarHBondContact O-CB 3.23Å; N689-K692 PolarHBondContact O-N 3.45Å; E690-K692 VanDerWaalsContact C-N 3.33Å; E690-K692 PolarHBondContact O-N 2.79Å; K692-K695 PolarHBondContact O-N 2.84Å; K692-V696 WeakPolarHBondContact O-CG2 3.42Å; K692-V696 PolarHBondContact O-N 3.45Å
693	L	97.4	Very high	96.5	Very high	5 Å²	5	69.4 Å²	69.4	3%	0.026	30%	0.302	C	S	.	.	H	α-helix	trans	-71.2	-40.3	179	-163.5	68.4	0	0	0	112.6	T408 K411 L412 L415 F657 L686 N689 E690 E691 K695 V696 A697	T408-L693 HydrophobicContact CG2-CD1 4.08Å; K411-L693 HydrophobicContact CB-CD2 3.52Å; L412-L693 HydrophobicContact CB-CD1 4.5Å; L412-L693 HydrophobicContact CD1-CD1 4.39Å; L415-L693 HydrophobicContact CD1-CB 4.25Å; L415-L693 HydrophobicContact CD1-CD2 3.68Å; L415-L693 HydrophobicContact CD1-CG 3.75Å; F657-L693 HydrophobicContact CE1-CB 4.32Å; F657-L693 HydrophobicContact CE1-CD1 4.08Å; F657-L693 HydrophobicContact CE2-CD1 4.4Å; F657-L693 HydrophobicContact CZ-CB 4.4Å; F657-L693 HydrophobicContact CZ-CD1 3.82Å; L686-L693 HydrophobicContact CD2-CD2 4.44Å; N689-L693 PolarHBondContact O-N 2.99Å; N689-L693 VanDerWaalsContact O-N 3.14Å; E690-L693 PolarHBondContact O-N 2.83Å; E690-L693 VanDerWaalsContact O-N 3.16Å; E691-L693 VanDerWaalsContact C-N 3.33Å; L693-K695 VanDerWaalsContact C-N 3.3Å; L693-K695 PolarHBondContact O-N 3.48Å; L693-V696 PolarHBondContact O-N 3.46Å; L693-A697 WeakPolarHBondContact O-CB 3.44Å; L693-A697 PolarHBondContact O-N 3.29Å
694	R	98	Very high	96.5	Very high	88 Å²	88	68.4 Å²	68.4	33%	0.332	30%	0.296	S	S	.	.	H	α-helix	trans	-60.7	-38	170.9	-73.1	169.9	177.2	158.5	3.8	111.4	L415 E690 E691 A697 R698	L415-R694 HydrophobicContact CD1-CG 4.44Å; L415-R694 HydrophobicContact CD2-CG 4.36Å; E690-R694 HydrophobicContact CG-CG 4.44Å; E690-R694 WeakPolarHBondContact O-CB 3.41Å; E690-R694 WeakPolarHBondContact O-CG 3.34Å; E690-R694 PolarHBondContact O-N 3.46Å; E690-R694 IonicContact OE1-CZ 3.67Å; E690-R694 VanDerWaalsContact OE1-CZ 3.28Å; E690-R694 IonicContact OE1-NE 2.71Å; E690-R694 PolarHBondContact OE1-NE 3.41Å; E690-R694 IonicContact OE1-NH2 3.75Å; E690-R694 PolarHBondContact OE1-NH2 3.4Å; E690-R694 IonicContact OE2-CZ 2.65Å; E690-R694 VanDerWaalsContact OE2-CZ 3.22Å; E690-R694 IonicContact OE2-NE 2.76Å; E690-R694 IonicContact OE2-NH1 3.28Å; E690-R694 IonicContact OE2-NH2 3.89Å; E690-R694 PolarHBondContact OE2-NH2 3.2Å; E691-R694 WeakPolarHBondContact OE1-CD 3.23Å; E691-R694 IonicContact OE1-CZ 3.52Å; E691-R694 IonicContact OE1-NE 3.22Å; E691-R694 IonicContact OE1-NH1 3.65Å; E691-R694 PolarHBondContact OE1-NH1 2.97Å; R694-A697 PolarHBondContact O-N 3.05Å; R694-R698 WeakPolarHBondContact O-CB 3.25Å; R694-R698 VanDerWaalsContact O-CG 3.31Å; R694-R698 WeakPolarHBondContact O-CG 3.46Å; R694-R698 PolarHBondContact O-N 2.93Å
695	K	97.9	Very high	96.4	Very high	71 Å²	71	65.4 Å²	65.4	31%	0.309	29%	0.291	S	S	.	.	H	α-helix	trans	-64.8	-44.2	175.3	-163	170.8	-166.2	178.3	0	111.8	D652 F655 E691 K692 L693 R698 L699	D652-K695 VanDerWaalsContact OD1-CE 3.28Å; D652-K695 WeakPolarHBondContact OD1-CE 3.31Å; D652-K695 IonicContact OD1-NZ 2.63Å; D652-K695 PolarHBondContact OD1-NZ 2.92Å; D652-K695 WeakPolarHBondContact OD2-CE 3.2Å; D652-K695 IonicContact OD2-NZ 3.77Å; D652-K695 PolarHBondContact OD2-NZ 3.24Å; F655-K695 HydrophobicContact CE1-CD 4.35Å; F655-K695 HydrophobicContact CE1-CG 4.45Å; E691-K695 VanDerWaalsContact O-CB 3.28Å; E691-K695 WeakPolarHBondContact O-CB 3.17Å; E691-K695 PolarHBondContact O-N 3.39Å; K692-K695 PolarHBondContact O-N 2.84Å; L693-K695 VanDerWaalsContact C-N 3.3Å; L693-K695 PolarHBondContact O-N 3.48Å; K695-R698 PolarHBondContact O-N 3.39Å; K695-L699 WeakPolarHBondContact O-CG 3.44Å; K695-L699 PolarHBondContact O-N 2.88Å
696	V	98.3	Very high	96.3	Very high	0 Å²	0	67.7 Å²	67.7	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-60.5	-48.8	172.4	170	0	0	0	0	111.5	L412 V604 F655 F657 K692 L693 R698 L699 L700	L412-V696 HydrophobicContact CD1-CG1 3.92Å; L412-V696 HydrophobicContact CD2-CG1 4.42Å; V604-V696 HydrophobicContact CG2-CG1 3.53Å; V604-V696 HydrophobicContact CG2-CG2 4.38Å; F655-V696 HydrophobicContact CB-CG2 3.67Å; F655-V696 HydrophobicContact CD1-CG2 3.5Å; F655-V696 VanDerWaalsContact CD1-CG2 3.5Å; F655-V696 HydrophobicContact CD2-CG2 3.67Å; F655-V696 HydrophobicContact CE1-CG2 4.02Å; F655-V696 HydrophobicContact CE2-CG2 4.17Å; F655-V696 HydrophobicContact CG-CG2 3.3Å; F655-V696 HydrophobicContact CZ-CG2 4.33Å; F657-V696 HydrophobicContact CE2-CG2 4.08Å; F657-V696 HydrophobicContact CZ-CG2 4.11Å; K692-V696 WeakPolarHBondContact O-CG2 3.42Å; K692-V696 PolarHBondContact O-N 3.45Å; L693-V696 PolarHBondContact O-N 3.46Å; V696-R698 VanDerWaalsContact C-N 3.3Å; V696-R698 PolarHBondContact O-N 3.42Å; V696-L699 PolarHBondContact O-N 3.41Å; V696-L700 HydrophobicContact CG1-CD1 3.58Å; V696-L700 HydrophobicContact CG1-CG 4.12Å; V696-L700 WeakPolarHBondContact O-CG 3.15Å; V696-L700 PolarHBondContact O-N 3.34Å
697	A	98.2	Very high	96.2	Very high	8 Å²	8	73.7 Å²	73.7	7%	0.066	34%	0.344	C	S	.	.	H	α-helix	trans	-57.3	-42.1	177.7	0	0	0	0	0	112.2	L412 L415 T416 L693 R694 L699 T701	L412-A697 HydrophobicContact CD1-CB 4.07Å; L415-A697 HydrophobicContact CB-CB 3.89Å; T416-A697 HydrophobicContact CG2-CB 3.67Å; L693-A697 WeakPolarHBondContact O-CB 3.44Å; L693-A697 PolarHBondContact O-N 3.29Å; R694-A697 PolarHBondContact O-N 3.05Å; A697-L699 PolarHBondContact O-N 3.14Å; A697-T701 WeakPolarHBondContact O-CG2 3.12Å; A697-T701 PolarHBondContact O-N 3.1Å; A697-T701 PolarHBondContact O-OG1 3.11Å
698	R	97.1	Very high	96	Very high	133 Å²	133	70.9 Å²	70.9	50%	0.502	33%	0.331	S	S	.	.	H	α-helix	trans	-64.1	-33.3	173.3	-73.6	-175.3	-60.7	-106.9	5.1	113.3	E691 R694 K695 V696 T701 R702	E691-R698 IonicContact OE2-NH1 3.56Å; E691-R698 IonicContact OE2-NH2 2.62Å; R694-R698 WeakPolarHBondContact O-CB 3.25Å; R694-R698 VanDerWaalsContact O-CG 3.31Å; R694-R698 WeakPolarHBondContact O-CG 3.46Å; R694-R698 PolarHBondContact O-N 2.93Å; K695-R698 PolarHBondContact O-N 3.39Å; V696-R698 VanDerWaalsContact C-N 3.3Å; V696-R698 PolarHBondContact O-N 3.42Å; R698-T701 PolarHBondContact O-OG1 2.89Å; R698-R702 WeakPolarHBondContact O-CG 3.45Å
699	L	96.8	Very high	95.8	Very high	25 Å²	25	66.2 Å²	66.2	13%	0.131	31%	0.313	C	S	.	.	H	α-helix	trans	-75.5	-48.5	178.1	-73.1	170.6	0	0	0	112	C602 D652 F655 K695 V696 A697 T701 R702	C602-L699 HydrophobicContact CB-CB 4.25Å; D652-L699 WeakPolarHBondContact O-CD1 3.24Å; F655-L699 HydrophobicContact CE2-CD1 3.54Å; F655-L699 HydrophobicContact CZ-CD1 3.54Å; K695-L699 WeakPolarHBondContact O-CG 3.44Å; K695-L699 PolarHBondContact O-N 2.88Å; V696-L699 PolarHBondContact O-N 3.41Å; A697-L699 PolarHBondContact O-N 3.14Å; L699-T701 PolarHBondContact O-N 3.33Å; L699-R702 WeakPolarHBondContact O-CB 3.33Å; L699-R702 PolarHBondContact O-N 2.78Å; L699-R702 VanDerWaalsContact O-N 3.16Å
700	L	97.1	Very high	95.7	Very high	3 Å²	3	67 Å²	67	2%	0.016	33%	0.325	C	S	.	.	H	α-helix	trans	-66.6	-19.8	-175.2	-61.8	174.3	0	0	0	113.9	R391 L412 L423 F424 C602 V604 V696	R391-L700 HydrophobicContact CB-CD2 3.79Å; R391-L700 HydrophobicContact CG-CD2 3.92Å; R391-L700 PolarHBondContact NH1-O 2.96Å; L412-L700 HydrophobicContact CD1-CD1 4.18Å; L412-L700 HydrophobicContact CD2-CD1 3.77Å; L412-L700 HydrophobicContact CG-CD1 4.42Å; L423-L700 HydrophobicContact CB-CD1 4.36Å; L423-L700 HydrophobicContact CD2-CB 4.19Å; F424-L700 HydrophobicContact CD1-CD2 4.03Å; F424-L700 HydrophobicContact CE1-CD1 3.7Å; F424-L700 HydrophobicContact CE1-CD2 3.68Å; F424-L700 HydrophobicContact CE1-CG 4.38Å; F424-L700 HydrophobicContact CE2-CD1 4.25Å; F424-L700 HydrophobicContact CZ-CD1 3.5Å; F424-L700 HydrophobicContact CZ-CD2 4.34Å; C602-L700 HydrophobicContact CB-CD2 3.65Å; C602-L700 HydrophobicContact CB-CG 4.45Å; V604-L700 HydrophobicContact CG2-CD1 4.45Å; V696-L700 HydrophobicContact CG1-CD1 3.58Å; V696-L700 HydrophobicContact CG1-CG 4.12Å; V696-L700 WeakPolarHBondContact O-CG 3.15Å; V696-L700 PolarHBondContact O-N 3.34Å
701	T	96.1	Very high	95.5	Very high	63 Å²	63	67.5 Å²	67.5	39%	0.387	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.4	0.9	178.2	52.6	0	0	0	0	114.4	T416 A697 R698 L699 E703	T416-T701 HydrophobicContact CG2-CG2 3.83Å; A697-T701 WeakPolarHBondContact O-CG2 3.12Å; A697-T701 PolarHBondContact O-N 3.1Å; A697-T701 PolarHBondContact O-OG1 3.11Å; R698-T701 PolarHBondContact O-OG1 2.89Å; L699-T701 PolarHBondContact O-N 3.33Å; T701-E703 PolarHBondContact O-N 3.39Å
702	R	93.6	Very high	95.2	Very high	109 Å²	109	65 Å²	65	41%	0.411	32%	0.322	S	S	.	.	P	Polyproline II helix	trans	-70.9	119.6	-179.8	-77.1	161.6	92.5	-147.2	21.3	112.6	R388 E601 R698 L699	R388-R702 HydrophobicContact CG-CB 4.41Å; E601-R702 IonicContact OE1-CZ 2.65Å; E601-R702 IonicContact OE1-NE 3.68Å; E601-R702 IonicContact OE1-NH1 2.77Å; E601-R702 PolarHBondContact OE1-NH1 3.23Å; R698-R702 WeakPolarHBondContact O-CG 3.45Å; L699-R702 WeakPolarHBondContact O-CB 3.33Å; L699-R702 PolarHBondContact O-N 2.78Å; L699-R702 VanDerWaalsContact O-N 3.16Å
703	E	91.8	Very high	94.9	Very high	134 Å²	134	69.3 Å²	69.3	63%	0.626	34%	0.337	S	S	*	.	P	Polyproline II helix	trans	-71.1	148.2	169.2	-67.5	-163.9	-176.2	0	0	113.2	R388 T701 R709	R388-E703 PolarHBondContact NE-O 3.25Å; R388-E703 PolarHBondContact NH2-O 3.33Å; T701-E703 PolarHBondContact O-N 3.39Å; E703-R709 IonicContact OE2-CZ 2.74Å; E703-R709 IonicContact OE2-NH1 3.25Å; E703-R709 IonicContact OE2-NH2 2.8Å; E703-R709 PolarHBondContact OE2-NH2 3.4Å
704	K	94	Very high	94.6	Very high	24 Å²	24	71.6 Å²	71.6	10%	0.104	36%	0.356	C	S	.	.	P	Polyproline II helix	trans	-54.5	138.5	165.6	-66.9	-177.8	-175.2	-178.4	0	112	V385 K386 G387 Q708 R709 E712	V385-K704 WeakPolarHBondContact O-CE 3.45Å; V385-K704 PolarHBondContact O-NZ 3.27Å; K386-K704 WeakPolarHBondContact O-CE 3.33Å; G387-K704 WeakPolarHBondContact O-CE 3.34Å; G387-K704 VanDerWaalsContact O-CG 3.28Å; G387-K704 WeakPolarHBondContact O-CG 3.34Å; K704-Q708 HydrophobicContact CB-CB 4.24Å; K704-R709 HydrophobicContact CB-CG 3.93Å; K704-R709 PolarHBondContact O-NE 3.39Å; K704-R709 PolarHBondContact O-NH2 2.95Å; K704-E712 WeakPolarHBondContact CD-OE2 3.38Å; K704-E712 WeakPolarHBondContact CE-OE1 3.33Å; K704-E712 IonicContact NZ-OE1 3.93Å; K704-E712 PolarHBondContact NZ-OE1 3.05Å; K704-E712 IonicContact NZ-OE2 4Å; K704-E712 PolarHBondContact NZ-OE2 2.9Å
705	S	93.6	Very high	94.2	Very high	39 Å²	39	73.7 Å²	73.7	27%	0.273	36%	0.364	S	S	.	.	P	Polyproline II helix	trans	-61.2	153.9	166.6	63.6	0	0	0	0	111.5	I707 Q708 R709	S705-I707 PolarHBondContact O-N 3.48Å; S705-Q708 PolarHBondContact O-N 3.21Å; S705-Q708 VanDerWaalsContact O-N 3.13Å; S705-Q708 VanDerWaalsContact OG-CG 3.3Å; S705-Q708 WeakPolarHBondContact OG-CG 3.46Å; S705-Q708 PolarHBondContact OG-N 3.2Å; S705-Q708 PolarHBondContact OG-OE1 2.88Å; S705-R709 WeakPolarHBondContact O-CG 3.42Å; S705-R709 PolarHBondContact O-N 3.08Å; S705-R709 VanDerWaalsContact O-N 3.08Å
706	S	94.4	Very high	93.8	Very high	93 Å²	93	72.4 Å²	72.4	65%	0.65	36%	0.36	S	S	*	.	H	α-helix	trans	-57.8	-32.6	176.3	-46.7	0	0	0	0	112.5	R709 A710	S706-R709 PolarHBondContact O-N 2.89Å; S706-A710 WeakPolarHBondContact O-CB 3.46Å; S706-A710 PolarHBondContact O-N 3.26Å
707	I	93.9	Very high	93.4	Very high	131 Å²	131	77.1 Å²	77.1	67%	0.672	38%	0.378	S	S	*	.	H	α-helix	trans	-63.9	-50.6	175.3	-58.3	175.1	0	0	0	110.3	S705 R709 A710 T711	S705-I707 PolarHBondContact O-N 3.48Å; I707-R709 VanDerWaalsContact C-N 3.33Å; I707-R709 PolarHBondContact O-N 2.92Å; I707-A710 PolarHBondContact O-N 3.08Å; I707-A710 VanDerWaalsContact O-N 3.14Å; I707-T711 PolarHBondContact O-N 3.29Å; I707-T711 PolarHBondContact O-OG1 3.47Å; I707-T711 VanDerWaalsContact O-OG1 3.1Å
708	Q	92.8	Very high	93	Very high	57 Å²	57	78.1 Å²	78.1	27%	0.266	39%	0.386	S	S	.	.	H	α-helix	trans	-57	-45.6	176.1	-74.1	165.8	-66.5	0	0	111.7	R388 K704 S705 A710 T711 E712	R388-Q708 PolarHBondContact O-NE2 3.32Å; R388-Q708 VanDerWaalsContact O-NE2 3.13Å; K704-Q708 HydrophobicContact CB-CB 4.24Å; S705-Q708 PolarHBondContact O-N 3.21Å; S705-Q708 VanDerWaalsContact O-N 3.13Å; S705-Q708 VanDerWaalsContact OG-CG 3.3Å; S705-Q708 WeakPolarHBondContact OG-CG 3.46Å; S705-Q708 PolarHBondContact OG-N 3.2Å; S705-Q708 PolarHBondContact OG-OE1 2.88Å; Q708-A710 VanDerWaalsContact C-N 3.31Å; Q708-A710 PolarHBondContact O-N 3.27Å; Q708-T711 PolarHBondContact O-N 2.87Å; Q708-E712 WeakPolarHBondContact O-CB 3.07Å; Q708-E712 VanDerWaalsContact O-CG 3.28Å; Q708-E712 WeakPolarHBondContact O-CG 3.31Å; Q708-E712 PolarHBondContact O-N 3.34Å
709	R	93.3	Very high	92.6	Very high	119 Å²	119	72.3 Å²	72.3	45%	0.449	37%	0.365	S	S	.	.	H	α-helix	trans	-58.4	-42.7	176.9	-60.8	176.1	-147.9	-159.5	-0.4	111.7	E703 K704 S705 S706 I707 W713	E703-R709 IonicContact OE2-CZ 2.74Å; E703-R709 IonicContact OE2-NH1 3.25Å; E703-R709 IonicContact OE2-NH2 2.8Å; E703-R709 PolarHBondContact OE2-NH2 3.4Å; K704-R709 HydrophobicContact CB-CG 3.93Å; K704-R709 PolarHBondContact O-NE 3.39Å; K704-R709 PolarHBondContact O-NH2 2.95Å; S705-R709 WeakPolarHBondContact O-CG 3.42Å; S705-R709 PolarHBondContact O-N 3.08Å; S705-R709 VanDerWaalsContact O-N 3.08Å; S706-R709 PolarHBondContact O-N 2.89Å; I707-R709 VanDerWaalsContact C-N 3.33Å; I707-R709 PolarHBondContact O-N 2.92Å; R709-W713 VanDerWaalsContact O-CB 3.3Å; R709-W713 WeakPolarHBondContact O-CB 3.34Å; R709-W713 PolarHBondContact O-N 3.12Å
710	A	93.8	Very high	92.1	Very high	58 Å²	58	71.6 Å²	71.6	48%	0.479	36%	0.362	S	S	.	.	H	α-helix	trans	-68.6	-43.5	178.4	0	0	0	0	0	112.6	S706 I707 Q708 W713 A714	S706-A710 WeakPolarHBondContact O-CB 3.46Å; S706-A710 PolarHBondContact O-N 3.26Å; I707-A710 PolarHBondContact O-N 3.08Å; I707-A710 VanDerWaalsContact O-N 3.14Å; Q708-A710 VanDerWaalsContact C-N 3.31Å; Q708-A710 PolarHBondContact O-N 3.27Å; A710-W713 PolarHBondContact O-N 2.96Å; A710-A714 WeakPolarHBondContact O-CB 3.25Å; A710-A714 PolarHBondContact O-N 3.25Å
711	T	92.1	Very high	91.6	Very high	89 Å²	89	78.4 Å²	78.4	55%	0.546	39%	0.388	S	S	.	.	H	α-helix	trans	-62.9	-41.8	176.3	-56.9	0	0	0	0	111.9	I707 Q708 A714 R715	I707-T711 PolarHBondContact O-N 3.29Å; I707-T711 PolarHBondContact O-OG1 3.47Å; I707-T711 VanDerWaalsContact O-OG1 3.1Å; Q708-T711 PolarHBondContact O-N 2.87Å; T711-A714 PolarHBondContact O-N 3.1Å; T711-R715 PolarHBondContact O-N 3.09Å
712	E	91.1	Very high	90.8	Very high	51 Å²	51	81.4 Å²	81.4	24%	0.238	40%	0.402	C	S	.	.	H	α-helix	trans	-67.7	-41.1	175.8	-72.7	174.6	172	0	0	112.7	P384 K704 Q708 A714 R715 L716	P384-E712 HydrophobicContact CB-CG 4.09Å; P384-E712 WeakPolarHBondContact CB-OE1 3.37Å; P384-E712 HydrophobicContact CG-CB 4.32Å; P384-E712 HydrophobicContact CG-CG 3.93Å; K704-E712 WeakPolarHBondContact CD-OE2 3.38Å; K704-E712 WeakPolarHBondContact CE-OE1 3.33Å; K704-E712 IonicContact NZ-OE1 3.93Å; K704-E712 PolarHBondContact NZ-OE1 3.05Å; K704-E712 IonicContact NZ-OE2 4Å; K704-E712 PolarHBondContact NZ-OE2 2.9Å; Q708-E712 WeakPolarHBondContact O-CB 3.07Å; Q708-E712 VanDerWaalsContact O-CG 3.28Å; Q708-E712 WeakPolarHBondContact O-CG 3.31Å; Q708-E712 PolarHBondContact O-N 3.34Å; E712-A714 VanDerWaalsContact C-N 3.3Å; E712-A714 PolarHBondContact O-N 3.37Å; E712-R715 PolarHBondContact O-N 3.44Å; E712-L716 WeakPolarHBondContact O-CB 3.39Å; E712-L716 PolarHBondContact O-N 3.26Å
713	W	91	Very high	90	Very high	156 Å²	156	76.7 Å²	76.7	59%	0.591	39%	0.387	S	S	*	.	H	α-helix	trans	-61	-41	173.9	179.4	94.7	0	0	0	111.3	R709 A710 L716 R717	R709-W713 VanDerWaalsContact O-CB 3.3Å; R709-W713 WeakPolarHBondContact O-CB 3.34Å; R709-W713 PolarHBondContact O-N 3.12Å; A710-W713 PolarHBondContact O-N 2.96Å; W713-L716 PolarHBondContact O-N 3Å; W713-R717 HydrophobicContact CD2-CG 4.1Å; W713-R717 HydrophobicContact CE3-CG 4.17Å; W713-R717 HydrophobicContact CH2-CG 4.09Å; W713-R717 HydrophobicContact CZ2-CG 4.02Å; W713-R717 HydrophobicContact CZ3-CG 4.16Å; W713-R717 WeakPolarHBondContact O-CB 3.33Å; W713-R717 VanDerWaalsContact O-CG 3.29Å; W713-R717 WeakPolarHBondContact O-CG 3.36Å; W713-R717 PolarHBondContact O-N 2.84Å
714	A	91.6	Very high	89.2	Confident	52 Å²	52	72.9 Å²	72.9	43%	0.43	37%	0.37	S	S	.	.	H	α-helix	trans	-66	-41.6	174.9	0	0	0	0	0	112.3	A710 T711 E712 R717 A718	A710-A714 WeakPolarHBondContact O-CB 3.25Å; A710-A714 PolarHBondContact O-N 3.25Å; T711-A714 PolarHBondContact O-N 3.1Å; E712-A714 VanDerWaalsContact C-N 3.3Å; E712-A714 PolarHBondContact O-N 3.37Å; A714-R717 PolarHBondContact O-N 3.28Å; A714-A718 PolarHBondContact O-N 3.29Å
715	R	89.7	Confident	87.4	Confident	132 Å²	132	76.8 Å²	76.8	50%	0.498	40%	0.396	S	S	.	.	H	α-helix	trans	-62.3	-46.6	173.7	179	176.2	-87.6	-163.4	-8.8	111.5	D597 T711 E712 R717 A718 D719	D597-R715 IonicContact OD2-CZ 3.56Å; D597-R715 VanDerWaalsContact OD2-CZ 3.25Å; D597-R715 IonicContact OD2-NH1 2.65Å; D597-R715 PolarHBondContact OD2-NH1 2.92Å; D597-R715 IonicContact OD2-NH2 2.94Å; D597-R715 PolarHBondContact OD2-NH2 3.45Å; T711-R715 PolarHBondContact O-N 3.09Å; E712-R715 PolarHBondContact O-N 3.44Å; R715-R717 VanDerWaalsContact C-N 3.34Å; R715-R717 PolarHBondContact O-N 2.9Å; R715-A718 WeakPolarHBondContact O-CB 3.36Å; R715-A718 PolarHBondContact O-N 2.83Å; R715-A718 VanDerWaalsContact O-N 3.11Å; R715-D719 PolarHBondContact O-N 3.26Å
716	L	89.8	Confident	84.9	Confident	44 Å²	44	80.5 Å²	80.5	23%	0.23	42%	0.422	C	S	.	.	H	α-helix	trans	-60.6	-42.1	176.1	178.7	62.9	0	0	0	111.7	L358 E712 W713 D719 M720	L358-L716 HydrophobicContact CD1-CD1 4.43Å; L358-L716 HydrophobicContact CD2-CD1 4.22Å; E712-L716 WeakPolarHBondContact O-CB 3.39Å; E712-L716 PolarHBondContact O-N 3.26Å; W713-L716 PolarHBondContact O-N 3Å; L716-D719 PolarHBondContact O-N 3.49Å; L716-M720 HydrophobicContact CD1-CG 4.48Å; L716-M720 HydrophobicContact CG-SD 4.2Å; L716-M720 WeakPolarHBondContact O-CB 3.38Å; L716-M720 WeakPolarHBondContact O-CG 3.49Å; L716-M720 PolarHBondContact O-N 2.88Å
717	R	89.2	Confident	82.3	Confident	99 Å²	99	85.9 Å²	85.9	37%	0.374	43%	0.434	S	S	.	.	H	α-helix	trans	-61.8	-41	173.2	-75.7	-72.5	-171.8	173.4	1.4	111.8	W713 A714 R715 M720 Y721	W713-R717 HydrophobicContact CD2-CG 4.1Å; W713-R717 HydrophobicContact CE3-CG 4.17Å; W713-R717 HydrophobicContact CH2-CG 4.09Å; W713-R717 HydrophobicContact CZ2-CG 4.02Å; W713-R717 HydrophobicContact CZ3-CG 4.16Å; W713-R717 WeakPolarHBondContact O-CB 3.33Å; W713-R717 VanDerWaalsContact O-CG 3.29Å; W713-R717 WeakPolarHBondContact O-CG 3.36Å; W713-R717 PolarHBondContact O-N 2.84Å; A714-R717 PolarHBondContact O-N 3.28Å; R715-R717 VanDerWaalsContact C-N 3.34Å; R715-R717 PolarHBondContact O-N 2.9Å; R717-M720 PolarHBondContact O-N 3.43Å; R717-Y721 PolarHBondContact NH1-OH 2.84Å; R717-Y721 WeakPolarHBondContact O-CD2 3.46Å; R717-Y721 PolarHBondContact O-N 3.05Å
718	A	89.4	Confident	79.6	Confident	29 Å²	29	86.3 Å²	86.3	24%	0.24	44%	0.437	C	S	.	.	H	α-helix	trans	-62.4	-48.6	174.3	0	0	0	0	0	111.6	A714 R715 M720 Y721 N722 G723	A714-A718 PolarHBondContact O-N 3.29Å; R715-A718 WeakPolarHBondContact O-CB 3.36Å; R715-A718 PolarHBondContact O-N 2.83Å; R715-A718 VanDerWaalsContact O-N 3.11Å; A718-M720 VanDerWaalsContact C-N 3.26Å; A718-M720 PolarHBondContact O-N 3.47Å; A718-Y721 PolarHBondContact O-N 2.8Å; A718-N722 WeakPolarHBondContact O-CA 3.2Å; A718-N722 WeakPolarHBondContact O-CB 3.38Å; A718-N722 PolarHBondContact O-N 3.28Å; A718-G723 PolarHBondContact O-N 2.72Å
719	D	88.9	Confident	78.9	Confident	11 Å²	11	87.8 Å²	87.8	6%	0.059	45%	0.446	C	S	.	.	H	α-helix	trans	-59.6	-34.8	177.6	-68.9	-22.7	0	0	0	112.6	L358 Y381 R715 L716 G723	L358-D719 HydrophobicContact CD1-CB 3.77Å; Y381-D719 HydrophobicContact CE2-CB 4.33Å; Y381-D719 WeakPolarHBondContact CE2-OD2 3.3Å; Y381-D719 PolarHBondContact OH-OD2 3Å; R715-D719 PolarHBondContact O-N 3.26Å; L716-D719 PolarHBondContact O-N 3.49Å; D719-G723 WeakPolarHBondContact O-CA 3.5Å; D719-G723 PolarHBondContact O-N 2.88Å
720	M	87.8	Confident	78.1	Confident	11 Å²	11	86.2 Å²	86.2	5%	0.054	45%	0.445	C	S	.	.	H	α-helix	trans	-69.1	-31.9	179.1	-79	173.3	73.8	0	0	114.8	L358 R359 Q362 L716 R717 A718	L358-M720 HydrophobicContact CB-CG 3.67Å; L358-M720 HydrophobicContact CD1-CG 4.4Å; R359-M720 HydrophobicContact CG-CE 3.96Å; Q362-M720 HydrophobicContact CG-CE 3.73Å; L716-M720 HydrophobicContact CD1-CG 4.48Å; L716-M720 HydrophobicContact CG-SD 4.2Å; L716-M720 WeakPolarHBondContact O-CB 3.38Å; L716-M720 WeakPolarHBondContact O-CG 3.49Å; L716-M720 PolarHBondContact O-N 2.88Å; R717-M720 PolarHBondContact O-N 3.43Å; A718-M720 VanDerWaalsContact C-N 3.26Å; A718-M720 PolarHBondContact O-N 3.47Å
721	Y	85.8	Confident	77.3	Confident	145 Å²	145	87.7 Å²	87.7	57%	0.569	44%	0.444	S	S	*	.	H	α-helix	trans	-114.8	-43.2	-173.1	-63.7	-68.3	0	0	0	113.4	R717 A718	R717-Y721 PolarHBondContact NH1-OH 2.84Å; R717-Y721 WeakPolarHBondContact O-CD2 3.46Å; R717-Y721 PolarHBondContact O-N 3.05Å; A718-Y721 PolarHBondContact O-N 2.8Å
722	N	80.2	Confident	76.4	Confident	127 Å²	127	87.6 Å²	87.6	68%	0.679	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.5	-24.8	-179.3	-57	-20.4	0	0	0	111.4	A718	A718-N722 WeakPolarHBondContact O-CA 3.2Å; A718-N722 WeakPolarHBondContact O-CB 3.38Å; A718-N722 PolarHBondContact O-N 3.28Å
723	G	75.5	Confident	75.5	Confident	9 Å²	9	89.9 Å²	89.9	9%	0.093	45%	0.45	C	S	.	.			trans	83.8	176.9	-168.2	0	0	0	0	0	112.6	A718 D719 T725	A718-G723 PolarHBondContact O-N 2.72Å; D719-G723 WeakPolarHBondContact O-CA 3.5Å; D719-G723 PolarHBondContact O-N 2.88Å; G723-T725 PolarHBondContact O-N 3Å
724	L	74.9	Confident	74.4	Confident	54 Å²	54	85.5 Å²	85.5	28%	0.283	44%	0.441	S	S	.	.	S	Bend	trans	-54.6	114	176.7	-71.3	174.3	0	0	0	109.8	I354 Y381 L534 S726 L728	I354-L724 HydrophobicContact CD1-CD1 3.76Å; I354-L724 HydrophobicContact CD1-CG 4.47Å; Y381-L724 HydrophobicContact CD2-CD2 4Å; Y381-L724 HydrophobicContact CE2-CD2 3.84Å; L534-L724 HydrophobicContact CD1-CD1 4.2Å; L534-L724 HydrophobicContact CD2-CD1 3.93Å; L724-S726 PolarHBondContact O-N 2.68Å; L724-L728 HydrophobicContact CD1-CD1 4.38Å
725	T	57	Low	73.2	Confident	106 Å²	106	87.9 Å²	87.9	65%	0.65	44%	0.441	S	S	*	.			trans	-58.6	130	174.9	48.9	0	0	0	0	109.7	G723 K727	G723-T725 PolarHBondContact O-N 3Å; T725-K727 PolarHBondContact O-N 3.27Å
726	S	40.8	Very low	72	Confident	117 Å²	117	84.5 Å²	84.5	82%	0.818	44%	0.437	S	S	*	.	S	Bend	trans	-68	91.3	-162.9	55.9	0	0	0	0	114.1	L724	L724-S726 PolarHBondContact O-N 2.68Å
727	K	40.1	Very low	70.5	Confident	207 Å²	207	87.9 Å²	87.9	90%	0.9	45%	0.454	S	S	*	.			trans	-130.6	53.9	159.1	-69.9	-170.4	175.8	-175.1	0	109.7	T725	T725-K727 PolarHBondContact O-N 3.27Å
728	L	36.1	Very low	68.8	Low	140 Å²	140	86.9 Å²	86.9	73%	0.733	46%	0.462	S	S	*	.			trans	-119.6	0	171.2	-75.6	176.3	0	0	0	109	L534 L724	L534-L728 HydrophobicContact CB-CD2 4.47Å; L724-L728 HydrophobicContact CD1-CD1 4.38Å

Retrieved 728 of 728 residues in 900.6 ms (Link to these results)

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