A0A087XI79_POEFO Loading...

histidine--tRNA ligase

AlphaFold DB , UniProt , Accession A0A087XI79, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 524 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	43.1	Very low	34.2	Very low	223 Å²	223	138 Å²	138	100%	1.099	74%	0.741	S	S	*	*				0	-20.4	0	-89.9	172.4	87.8	0	0	114.2
2	T	36.3	Very low	34.2	Very low	122 Å²	122	134.2 Å²	134.2	75%	0.748	73%	0.731	S	S	*	*	H	α-helix	trans	-76.8	-19.8	178.1	-14.2	0	0	0	0	114.2
3	M	32.3	Very low	34.3	Very low	170 Å²	170	131.8 Å²	131.8	84%	0.837	73%	0.73	S	S	*	*	H	α-helix	trans	-82.9	-16.5	177.7	-102	-167.6	171.3	0	0	115.1
4	L	33.4	Very low	34.2	Very low	147 Å²	147	127.3 Å²	127.3	77%	0.77	73%	0.729	S	S	*	*	H	α-helix	trans	-82.9	-23.6	176.6	-114.6	84.4	0	0	0	112.8
5	A	31.6	Very low	34.3	Very low	69 Å²	69	130 Å²	130	57%	0.57	74%	0.739	S	S	*	*	H	α-helix	trans	-72.6	-28.8	179.9	0	0	0	0	0	113
6	L	32.3	Very low	34.2	Very low	128 Å²	128	127.8 Å²	127.8	67%	0.67	74%	0.742	S	S	*	*	H	α-helix	trans	-75.8	-27.4	180	-91.5	130.9	0	0	0	113.7
7	S	33.7	Very low	34.5	Very low	86 Å²	86	126.8 Å²	126.8	60%	0.601	74%	0.74	S	S	*	*	H	α-helix	trans	-74.3	-26.6	176.6	-68.3	0	0	0	0	112.9
8	F	31.3	Very low	34.1	Very low	168 Å²	168	131.2 Å²	131.2	74%	0.737	75%	0.749	S	S	*	*	H	α-helix	trans	-77.2	-34.3	177.2	-131.5	-95.1	0	0	0	112.3	R10	F8-R10 PolarHBondContact O-N 3.11Å
9	A	32.9	Very low	34.2	Very low	68 Å²	68	137.7 Å²	137.7	56%	0.562	76%	0.76	S	S	*	*	H	α-helix	trans	-70.9	-27.3	-179.2	0	0	0	0	0	114
10	R	33.6	Very low	34	Very low	214 Å²	214	137.1 Å²	137.1	81%	0.808	76%	0.761	S	S	*	*	H	α-helix	trans	-80.1	-20.5	-179.3	-98.8	-179.1	175	177.1	0.2	114.8	F8 C12 S13	F8-R10 PolarHBondContact O-N 3.11Å; R10-C12 VanDerWaalsContact C-N 3.3Å; R10-S13 PolarHBondContact O-OG 3Å
11	V	35.8	Very low	34	Very low	123 Å²	123	136.7 Å²	136.7	75%	0.745	76%	0.762	S	S	*	*	H	α-helix	trans	-75.8	-24	176.5	178.3	0	0	0	0	111.1
12	C	33.9	Very low	33.3	Very low	92 Å²	92	133.8 Å²	133.8	62%	0.622	75%	0.75	S	S	*	*	S	Bend	trans	-94.6	-4.5	-175.1	-64.9	0	0	0	0	115.5	R10 G14	R10-C12 VanDerWaalsContact C-N 3.3Å; C12-G14 VanDerWaalsContact C-N 3.3Å; C12-G14 PolarHBondContact O-N 3.45Å
13	S	35.3	Very low	32.9	Very low	103 Å²	103	139.1 Å²	139.1	72%	0.72	76%	0.756	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.1	4.4	-177.9	58.3	0	0	0	0	115.1	R10	R10-S13 PolarHBondContact O-OG 3Å
14	G	33.8	Very low	32.8	Very low	69 Å²	69	139 Å²	139	71%	0.711	76%	0.759	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.7	-1.4	-179.5	0	0	0	0	0	115.6	C12	C12-G14 VanDerWaalsContact C-N 3.3Å; C12-G14 PolarHBondContact O-N 3.45Å
15	L	34.8	Very low	32.6	Very low	168 Å²	168	140.4 Å²	140.4	88%	0.88	76%	0.761	S	S	*	*			trans	-137.2	98.7	-174.8	-71.7	166.7	0	0	0	110.6
16	A	33.6	Very low	32.5	Very low	95 Å²	95	143.1 Å²	143.1	79%	0.785	77%	0.773	S	S	*	*			trans	-123.7	149.8	154.7	0	0	0	0	0	107.3
17	P	38.3	Very low	32.5	Very low	111 Å²	111	145.2 Å²	145.2	72%	0.721	78%	0.783	S	S	*	*			cis	-135.4	120	18.5	34.9	-14.6	0	0	0	113.6
18	F	28.6	Very low	32.4	Very low	206 Å²	206	147.2 Å²	147.2	90%	0.904	80%	0.796	S	S	*	*			trans	-146.6	109	153.9	-96.7	-80.2	0	0	0	109.4	T20	F18-T20 PolarHBondContact O-N 2.91Å
19	R	35.9	Very low	32.5	Very low	254 Å²	254	144.5 Å²	144.5	96%	0.958	80%	0.798	S	S	*	*			trans	-70.2	108.3	168.7	-85.9	178.3	164.6	178.6	-3.9	108.4
20	T	29.3	Very low	32.9	Very low	126 Å²	126	146 Å²	146	77%	0.773	81%	0.81	S	S	*	*			trans	-139.3	125.3	154	-45.9	0	0	0	0	109.5	F18 L22	F18-T20 PolarHBondContact O-N 2.91Å; T20-L22 PolarHBondContact O-N 2.71Å
21	V	34.2	Very low	33.2	Very low	128 Å²	128	141.2 Å²	141.2	78%	0.776	81%	0.81	S	S	*	*			trans	-67.1	116.1	-174.9	175.5	0	0	0	0	110.4
22	L	27.9	Very low	33.8	Very low	162 Å²	162	138.7 Å²	138.7	85%	0.848	81%	0.809	S	S	*	*			trans	-117.3	101.7	160.2	-101.1	151.4	0	0	0	107.9	T20 L24	T20-L22 PolarHBondContact O-N 2.71Å; L22-L24 PolarHBondContact O-N 3.07Å
23	R	28.2	Very low	34.7	Very low	234 Å²	234	140.3 Å²	140.3	88%	0.883	81%	0.81	S	S	*	*			trans	-64.2	115.1	169.7	-88.2	-179.3	171.3	-175.9	-2.2	108.4
24	L	30.6	Very low	36.2	Very low	169 Å²	169	139 Å²	139	89%	0.885	80%	0.797	S	S	*	*			trans	-95.9	115.7	162.3	-79.4	160.9	0	0	0	108.3	L22	L22-L24 PolarHBondContact O-N 3.07Å
25	Q	28.6	Very low	37.5	Very low	176 Å²	176	140.7 Å²	140.7	82%	0.822	79%	0.794	S	S	*	*			trans	-69	148.3	167.9	-88.1	177.2	-42.7	0	0	110.2	L27	Q25-L27 PolarHBondContact O-N 3.43Å
26	P	30.7	Very low	39	Very low	125 Å²	125	136 Å²	136	81%	0.812	78%	0.779	S	S	*	*			trans	-80.2	116	178.2	31.6	-29.3	0	0	0	109.8
27	L	32.3	Very low	40.6	Very low	172 Å²	172	136.3 Å²	136.3	90%	0.901	76%	0.764	S	S	*	*			trans	-93.7	102.5	166.7	-86.4	158.4	0	0	0	108.8	Q25	Q25-L27 PolarHBondContact O-N 3.43Å
28	C	31.1	Very low	42	Very low	129 Å²	129	135.3 Å²	135.3	87%	0.872	75%	0.752	S	S	*	*			trans	-103.2	103.2	162.9	-144.2	0	0	0	0	107.2
29	S	33.4	Very low	43.9	Very low	110 Å²	110	130.1 Å²	130.1	77%	0.769	73%	0.734	S	S	*	*			trans	-177.6	152.5	150.7	56.5	0	0	0	0	111.1
30	A	40.4	Very low	45.8	Very low	100 Å²	100	123.1 Å²	123.1	83%	0.826	71%	0.712	S	S	*	*			trans	-61.3	139.2	-165.1	0	0	0	0	0	116.4
31	S	41.3	Very low	47.9	Very low	113 Å²	113	122 Å²	122	79%	0.79	70%	0.698	S	S	*	*			trans	-170.6	134.2	137	41.1	0	0	0	0	109.5	I33	S31-I33 PolarHBondContact O-N 3.01Å
32	G	47.6	Very low	49.6	Very low	70 Å²	70	119.2 Å²	119.2	72%	0.722	68%	0.681	S	S	*	*	P	Polyproline II helix	trans	-67.6	119.4	178.9	0	0	0	0	0	110.4	T34	G32-T34 PolarHBondContact O-N 3.45Å
33	I	53	Low	51.9	Low	126 Å²	126	114 Å²	114	65%	0.646	66%	0.661	S	S	*	*	P	Polyproline II helix	trans	-65.3	120.8	172.1	-59.2	173.9	0	0	0	107.2	S31 Q37 I38	S31-I33 PolarHBondContact O-N 3.01Å; I33-Q37 HydrophobicContact CG2-CB 3.98Å; I33-I38 HydrophobicContact CG2-CD1 4.33Å; I33-I38 HydrophobicContact CG2-CG1 3.77Å
34	T	66.9	Low	54.2	Low	75 Å²	75	107.3 Å²	107.3	46%	0.46	64%	0.638	S	S	.	*	P	Polyproline II helix	trans	-80.5	154.8	179.8	63.3	0	0	0	0	110.4	G32 A36 Q37 I38	G32-T34 PolarHBondContact O-N 3.45Å; T34-A36 PolarHBondContact O-N 3.42Å; T34-Q37 WeakPolarHBondContact O-CB 3.33Å; T34-Q37 PolarHBondContact O-N 3.08Å; T34-Q37 WeakPolarHBondContact OG1-CG 3.49Å; T34-Q37 PolarHBondContact OG1-OE1 3.12Å; T34-I38 PolarHBondContact O-N 3.42Å
35	V	60.9	Low	56	Low	106 Å²	106	104.6 Å²	104.6	64%	0.642	62%	0.624	S	S	*	*	H	α-helix	trans	-54.4	-36.8	176.7	177.2	0	0	0	0	111.1	Q37 I38 D39	V35-Q37 VanDerWaalsContact C-N 3.31Å; V35-Q37 PolarHBondContact O-N 3.44Å; V35-I38 WeakPolarHBondContact O-CB 3.38Å; V35-I38 PolarHBondContact O-N 3.41Å; V35-I38 VanDerWaalsContact O-N 3.12Å; V35-D39 PolarHBondContact O-N 3.27Å
36	A	65.6	Low	57.8	Low	69 Å²	69	101.3 Å²	101.3	57%	0.57	61%	0.612	S	S	*	*	H	α-helix	trans	-61.3	-36.1	176.2	0	0	0	0	0	113.4	T34 E40	T34-A36 PolarHBondContact O-N 3.42Å; A36-E40 WeakPolarHBondContact O-CB 3.4Å; A36-E40 PolarHBondContact O-N 3.36Å
37	Q	67.8	Low	59.7	Low	101 Å²	101	100.5 Å²	100.5	47%	0.472	60%	0.597	S	S	.	*	H	α-helix	trans	-72.9	-30.3	176.6	-71.6	171.3	-34.8	0	0	112.1	I33 T34 V35 E41	I33-Q37 HydrophobicContact CG2-CB 3.98Å; T34-Q37 WeakPolarHBondContact O-CB 3.33Å; T34-Q37 PolarHBondContact O-N 3.08Å; T34-Q37 WeakPolarHBondContact OG1-CG 3.49Å; T34-Q37 PolarHBondContact OG1-OE1 3.12Å; V35-Q37 VanDerWaalsContact C-N 3.31Å; V35-Q37 PolarHBondContact O-N 3.44Å; Q37-E41 PolarHBondContact O-N 2.92Å
38	I	68.1	Low	61.4	Low	91 Å²	91	97 Å²	97	47%	0.467	58%	0.579	S	S	.	*	H	α-helix	trans	-70.7	-45.2	173.4	-62.3	174.2	0	0	0	109.8	I33 T34 V35 E40 E41 V42	I33-I38 HydrophobicContact CG2-CD1 4.33Å; I33-I38 HydrophobicContact CG2-CG1 3.77Å; T34-I38 PolarHBondContact O-N 3.42Å; V35-I38 WeakPolarHBondContact O-CB 3.38Å; V35-I38 PolarHBondContact O-N 3.41Å; V35-I38 VanDerWaalsContact O-N 3.12Å; I38-E40 VanDerWaalsContact C-N 3.32Å; I38-E40 PolarHBondContact O-N 3.05Å; I38-E41 PolarHBondContact O-N 3.31Å; I38-V42 HydrophobicContact CG2-CG2 4.29Å; I38-V42 WeakPolarHBondContact O-CB 3.41Å; I38-V42 VanDerWaalsContact O-CG2 3.28Å; I38-V42 WeakPolarHBondContact O-CG2 3.43Å; I38-V42 PolarHBondContact O-N 2.9Å
39	D	68.5	Low	62.9	Low	96 Å²	96	98.2 Å²	98.2	51%	0.513	57%	0.569	S	S	.	*	H	α-helix	trans	-63.7	-38.5	179.8	-69.2	-24.9	0	0	0	111.9	V35 E41 V42 A43	V35-D39 PolarHBondContact O-N 3.27Å; D39-E41 VanDerWaalsContact C-N 3.34Å; D39-E41 PolarHBondContact O-N 3.21Å; D39-V42 PolarHBondContact O-N 2.83Å; D39-A43 VanDerWaalsContact O-CB 3.31Å; D39-A43 WeakPolarHBondContact O-CB 3.42Å; D39-A43 PolarHBondContact O-N 2.91Å
40	E	76.1	Confident	64.2	Low	108 Å²	108	96.5 Å²	96.5	51%	0.505	56%	0.562	S	S	.	*	H	α-helix	trans	-63.2	-40.6	175.2	-162.5	-170.1	144.5	0	0	111.7	A36 I38 A43 K44	A36-E40 WeakPolarHBondContact O-CB 3.4Å; A36-E40 PolarHBondContact O-N 3.36Å; I38-E40 VanDerWaalsContact C-N 3.32Å; I38-E40 PolarHBondContact O-N 3.05Å; E40-A43 PolarHBondContact O-N 3.13Å; E40-K44 WeakPolarHBondContact O-CG 3.49Å; E40-K44 PolarHBondContact O-N 2.62Å; E40-K44 WeakPolarHBondContact OE1-CE 3.24Å; E40-K44 IonicContact OE1-NZ 2.65Å; E40-K44 PolarHBondContact OE1-NZ 3.41Å
41	E	72.8	Confident	65.1	Low	102 Å²	102	101.1 Å²	101.1	48%	0.477	56%	0.558	S	S	.	*	H	α-helix	trans	-77.9	-30.8	-178.7	-137.6	61.7	171.1	0	0	112.8	Q37 I38 D39 K44 L45	Q37-E41 PolarHBondContact O-N 2.92Å; I38-E41 PolarHBondContact O-N 3.31Å; D39-E41 VanDerWaalsContact C-N 3.34Å; D39-E41 PolarHBondContact O-N 3.21Å; E41-K44 WeakPolarHBondContact OE2-CD 3.36Å; E41-K44 IonicContact OE2-NZ 3.71Å; E41-K44 PolarHBondContact OE2-NZ 3.3Å; E41-L45 WeakPolarHBondContact O-CB 3.37Å; E41-L45 WeakPolarHBondContact O-CG 3.37Å; E41-L45 PolarHBondContact O-N 3.42Å
42	V	70.1	Confident	66	Low	70 Å²	70	102.3 Å²	102.3	42%	0.424	56%	0.555	S	S	.	*	H	α-helix	trans	-65.3	-41.4	167.5	171.3	0	0	0	0	110.6	I38 D39 L45 L46	I38-V42 HydrophobicContact CG2-CG2 4.29Å; I38-V42 WeakPolarHBondContact O-CB 3.41Å; I38-V42 VanDerWaalsContact O-CG2 3.28Å; I38-V42 WeakPolarHBondContact O-CG2 3.43Å; I38-V42 PolarHBondContact O-N 2.9Å; D39-V42 PolarHBondContact O-N 2.83Å; V42-L45 PolarHBondContact O-N 3.33Å; V42-L46 HydrophobicContact CG1-CD1 3.92Å; V42-L46 HydrophobicContact CG1-CG 4.41Å; V42-L46 WeakPolarHBondContact O-CB 3.45Å; V42-L46 VanDerWaalsContact O-CG 3.29Å; V42-L46 WeakPolarHBondContact O-CG 3.4Å; V42-L46 PolarHBondContact O-N 2.97Å
43	A	76.6	Confident	65.8	Low	51 Å²	51	101.3 Å²	101.3	42%	0.421	54%	0.544	S	S	.	.	H	α-helix	trans	-63.5	-43.6	176	0	0	0	0	0	111.7	D39 E40 L45 L46 E47	D39-A43 VanDerWaalsContact O-CB 3.31Å; D39-A43 WeakPolarHBondContact O-CB 3.42Å; D39-A43 PolarHBondContact O-N 2.91Å; E40-A43 PolarHBondContact O-N 3.13Å; A43-L45 VanDerWaalsContact C-N 3.34Å; A43-L45 PolarHBondContact O-N 2.77Å; A43-L46 PolarHBondContact O-N 2.93Å; A43-E47 PolarHBondContact O-N 3.27Å
44	K	75.8	Confident	65.5	Low	94 Å²	94	99.2 Å²	99.2	41%	0.409	55%	0.554	S	S	.	*	H	α-helix	trans	-62.1	-39.7	173.6	-73.3	-177.6	-158.9	135.5	0	112.3	E40 E41 E47 L48	E40-K44 WeakPolarHBondContact O-CG 3.49Å; E40-K44 PolarHBondContact O-N 2.62Å; E40-K44 WeakPolarHBondContact OE1-CE 3.24Å; E40-K44 IonicContact OE1-NZ 2.65Å; E40-K44 PolarHBondContact OE1-NZ 3.41Å; E41-K44 WeakPolarHBondContact OE2-CD 3.36Å; E41-K44 IonicContact OE2-NZ 3.71Å; E41-K44 PolarHBondContact OE2-NZ 3.3Å; K44-E47 PolarHBondContact O-N 2.96Å; K44-L48 WeakPolarHBondContact O-CB 3.27Å; K44-L48 PolarHBondContact O-N 3.02Å
45	L	68	Low	64.4	Low	113 Å²	113	98.3 Å²	98.3	59%	0.592	56%	0.559	S	S	*	*	H	α-helix	trans	-66.5	-37.9	175.4	-81.3	164.6	0	0	0	112.5	E41 V42 A43 L48 K49	E41-L45 WeakPolarHBondContact O-CB 3.37Å; E41-L45 WeakPolarHBondContact O-CG 3.37Å; E41-L45 PolarHBondContact O-N 3.42Å; V42-L45 PolarHBondContact O-N 3.33Å; A43-L45 VanDerWaalsContact C-N 3.34Å; A43-L45 PolarHBondContact O-N 2.77Å; L45-L48 PolarHBondContact O-N 3.47Å; L45-K49 VanDerWaalsContact O-CB 3.3Å; L45-K49 WeakPolarHBondContact O-CB 3.38Å; L45-K49 PolarHBondContact O-N 3.3Å
46	L	66.7	Low	64	Low	106 Å²	106	99.5 Å²	99.5	56%	0.555	56%	0.562	S	S	*	*	H	α-helix	trans	-68.3	-39.9	175.2	-73.6	168.1	0	0	0	111.6	V42 A43 K49 A50	V42-L46 HydrophobicContact CG1-CD1 3.92Å; V42-L46 HydrophobicContact CG1-CG 4.41Å; V42-L46 WeakPolarHBondContact O-CB 3.45Å; V42-L46 VanDerWaalsContact O-CG 3.29Å; V42-L46 WeakPolarHBondContact O-CG 3.4Å; V42-L46 PolarHBondContact O-N 2.97Å; A43-L46 PolarHBondContact O-N 2.93Å; L46-K49 PolarHBondContact O-N 2.76Å; L46-A50 WeakPolarHBondContact O-CB 3.27Å; L46-A50 PolarHBondContact O-N 3.39Å
47	E	71.4	Confident	63.2	Low	109 Å²	109	104 Å²	104	51%	0.509	58%	0.576	S	S	.	*	H	α-helix	trans	-64.9	-40.7	171.1	-97.6	-165.9	145.7	0	0	112.2	A43 K44 K49 A50 R51	A43-E47 PolarHBondContact O-N 3.27Å; K44-E47 PolarHBondContact O-N 2.96Å; E47-K49 VanDerWaalsContact C-N 3.31Å; E47-K49 PolarHBondContact O-N 3.27Å; E47-A50 PolarHBondContact O-N 3Å; E47-R51 WeakPolarHBondContact O-CB 3.48Å; E47-R51 WeakPolarHBondContact O-CG 3.48Å; E47-R51 PolarHBondContact O-N 2.98Å
48	L	68.1	Low	62.3	Low	98 Å²	98	101.7 Å²	101.7	51%	0.513	58%	0.579	S	S	.	*	H	α-helix	trans	-64.2	-40.7	175.9	-150.1	85.1	0	0	0	110.3	K44 L45 A50 R51 L52	K44-L48 WeakPolarHBondContact O-CB 3.27Å; K44-L48 PolarHBondContact O-N 3.02Å; L45-L48 PolarHBondContact O-N 3.47Å; L48-A50 VanDerWaalsContact C-N 3.34Å; L48-R51 PolarHBondContact O-N 2.99Å; L48-L52 HydrophobicContact CD2-CD1 4.4Å; L48-L52 HydrophobicContact CG-CD1 4.39Å; L48-L52 VanDerWaalsContact O-CB 3.24Å; L48-L52 WeakPolarHBondContact O-CB 3.41Å; L48-L52 WeakPolarHBondContact O-CD1 3.34Å; L48-L52 WeakPolarHBondContact O-CG 3.4Å; L48-L52 PolarHBondContact O-N 2.68Å
49	K	61.1	Low	61.6	Low	154 Å²	154	107 Å²	107	67%	0.67	60%	0.599	S	S	*	*	H	α-helix	trans	-64.8	-36.5	174.3	-171.8	-179.3	179	-175.8	0	112.2	L45 L46 E47	L45-K49 VanDerWaalsContact O-CB 3.3Å; L45-K49 WeakPolarHBondContact O-CB 3.38Å; L45-K49 PolarHBondContact O-N 3.3Å; L46-K49 PolarHBondContact O-N 2.76Å; E47-K49 VanDerWaalsContact C-N 3.31Å; E47-K49 PolarHBondContact O-N 3.27Å
50	A	61.9	Low	61.1	Low	74 Å²	74	109.9 Å²	109.9	61%	0.612	61%	0.609	S	S	*	*	H	α-helix	trans	-70.9	-41	174.5	0	0	0	0	0	112.1	L46 E47 L48 G53	L46-A50 WeakPolarHBondContact O-CB 3.27Å; L46-A50 PolarHBondContact O-N 3.39Å; E47-A50 PolarHBondContact O-N 3Å; L48-A50 VanDerWaalsContact C-N 3.34Å; A50-G53 PolarHBondContact O-N 3.27Å; A50-G53 VanDerWaalsContact O-N 3.11Å
51	R	59.9	Low	61	Low	198 Å²	198	112.7 Å²	112.7	75%	0.747	62%	0.622	S	S	*	*	H	α-helix	trans	-70.7	-29.3	175.9	-76.2	-179.5	-179.8	178	5.4	113.4	E47 L48 G53	E47-R51 WeakPolarHBondContact O-CB 3.48Å; E47-R51 WeakPolarHBondContact O-CG 3.48Å; E47-R51 PolarHBondContact O-N 2.98Å; L48-R51 PolarHBondContact O-N 2.99Å; R51-G53 PolarHBondContact O-N 3.48Å
52	L	58.4	Low	61.7	Low	138 Å²	138	115.7 Å²	115.7	72%	0.723	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.9	5.3	169.5	-73.8	167.5	0	0	0	112.7	L48	L48-L52 HydrophobicContact CD2-CD1 4.4Å; L48-L52 HydrophobicContact CG-CD1 4.39Å; L48-L52 VanDerWaalsContact O-CB 3.24Å; L48-L52 WeakPolarHBondContact O-CB 3.41Å; L48-L52 WeakPolarHBondContact O-CD1 3.34Å; L48-L52 WeakPolarHBondContact O-CG 3.4Å; L48-L52 PolarHBondContact O-N 2.68Å
53	G	45.1	Very low	62.7	Low	49 Å²	49	116.7 Å²	116.7	51%	0.505	64%	0.64	S	S	.	*			trans	67.1	78.3	162.4	0	0	0	0	0	112.3	A50 R51 G55	A50-G53 PolarHBondContact O-N 3.27Å; A50-G53 VanDerWaalsContact O-N 3.11Å; R51-G53 PolarHBondContact O-N 3.48Å; G53-G55 PolarHBondContact O-N 3.39Å
54	G	45.5	Very low	63.6	Low	82 Å²	82	121.3 Å²	121.3	85%	0.845	66%	0.657	S	S	*	*			trans	-68.6	59.5	152	0	0	0	0	0	111.3
55	G	44.3	Very low	64.4	Low	55 Å²	55	125 Å²	125	57%	0.567	67%	0.673	S	S	*	*			trans	-92.7	105.2	151	0	0	0	0	0	106.2	G53 D57	G53-G55 PolarHBondContact O-N 3.39Å; G55-D57 PolarHBondContact O-N 3.27Å
56	D	51.4	Low	65.7	Low	132 Å²	132	121.9 Å²	121.9	71%	0.706	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.1	50.5	175.2	-162.8	30.2	0	0	0	111
57	D	48.7	Very low	67	Low	163 Å²	163	121.2 Å²	121.2	87%	0.872	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.5	6.9	164.1	-80.4	-26.5	0	0	0	110.8	G55 K59	G55-D57 PolarHBondContact O-N 3.27Å; D57-K59 PolarHBondContact O-N 3.08Å; D57-K59 VanDerWaalsContact O-N 3.13Å
58	G	50.3	Low	68	Low	52 Å²	52	122.9 Å²	122.9	54%	0.536	67%	0.666	S	S	.	*	S	Bend	trans	-68.7	107.8	163.3	0	0	0	0	0	107.4	H60	G58-H60 VanDerWaalsContact C-N 3.3Å; G58-H60 PolarHBondContact O-N 3.22Å
59	K	52	Low	69.1	Low	204 Å²	204	118.5 Å²	118.5	89%	0.887	65%	0.645	S	S	*	*			trans	-34.4	95.6	172.4	-78.1	178.2	177.2	175.4	0	109.3	D57 Q61	D57-K59 PolarHBondContact O-N 3.08Å; D57-K59 VanDerWaalsContact O-N 3.13Å; K59-Q61 VanDerWaalsContact C-N 3.31Å; K59-Q61 PolarHBondContact O-N 3.45Å
60	H	59.1	Low	70.6	Confident	156 Å²	156	112.4 Å²	112.4	72%	0.722	62%	0.621	S	S	*	*			trans	-63.1	105.3	179.4	-155.4	-50.6	0	0	0	103.1	G58 F62	G58-H60 VanDerWaalsContact C-N 3.3Å; G58-H60 PolarHBondContact O-N 3.22Å; H60-F62 VanDerWaalsContact C-N 3.29Å; H60-F62 PolarHBondContact O-N 2.97Å
61	Q	72.9	Confident	72	Confident	166 Å²	166	111 Å²	111	78%	0.776	60%	0.6	S	S	*	*			trans	-63.4	105.2	-177.4	-173.4	176.6	8.5	0	0	104.7	K59 V63	K59-Q61 VanDerWaalsContact C-N 3.31Å; K59-Q61 PolarHBondContact O-N 3.45Å; Q61-V63 WeakPolarHBondContact O-CG2 3.36Å; Q61-V63 PolarHBondContact O-N 2.83Å
62	F	88.1	Confident	73.7	Confident	166 Å²	166	107.8 Å²	107.8	73%	0.728	60%	0.597	S	S	*	*			trans	-63.5	112.6	-176.3	172.1	-105.5	0	0	0	107.2	H60 L64	H60-F62 VanDerWaalsContact C-N 3.29Å; H60-F62 PolarHBondContact O-N 2.97Å; F62-L64 HydrophobicContact CD1-CD2 4.38Å; F62-L64 HydrophobicContact CD1-CG 4.26Å; F62-L64 HydrophobicContact CE1-CD2 3.32Å; F62-L64 HydrophobicContact CE1-CG 3.63Å; F62-L64 HydrophobicContact CZ-CD2 3.69Å; F62-L64 HydrophobicContact CZ-CG 4.37Å
63	V	92	Very high	75.2	Confident	90 Å²	90	103.1 Å²	103.1	55%	0.545	57%	0.57	S	S	.	*			trans	-96.6	113.9	178.7	-178.8	0	0	0	0	107.8	Q61 K65	Q61-V63 WeakPolarHBondContact O-CG2 3.36Å; Q61-V63 PolarHBondContact O-N 2.83Å; V63-K65 HydrophobicContact CG1-CB 4.37Å; V63-K65 HydrophobicContact CG1-CD 4.08Å; V63-K65 HydrophobicContact CG1-CG 4.18Å; V63-K65 PolarHBondContact O-N 3.25Å; V63-K65 VanDerWaalsContact O-N 3.08Å
64	L	94.3	Very high	77.5	Confident	148 Å²	148	104.6 Å²	104.6	78%	0.775	57%	0.566	S	S	*	*			trans	-67.9	102.5	170.2	-76.5	170.8	0	0	0	109.5	F62	F62-L64 HydrophobicContact CD1-CD2 4.38Å; F62-L64 HydrophobicContact CD1-CG 4.26Å; F62-L64 HydrophobicContact CE1-CD2 3.32Å; F62-L64 HydrophobicContact CE1-CG 3.63Å; F62-L64 HydrophobicContact CZ-CD2 3.69Å; F62-L64 HydrophobicContact CZ-CG 4.37Å
65	K	93.9	Very high	79.8	Confident	171 Å²	171	104.8 Å²	104.8	74%	0.743	55%	0.553	S	S	*	*			trans	-154.8	156.1	174.5	65.1	178.3	-176.7	-176.2	0	111.1	V63	V63-K65 HydrophobicContact CG1-CB 4.37Å; V63-K65 HydrophobicContact CG1-CD 4.08Å; V63-K65 HydrophobicContact CG1-CG 4.18Å; V63-K65 PolarHBondContact O-N 3.25Å; V63-K65 VanDerWaalsContact O-N 3.08Å
66	T	94.7	Very high	82.1	Confident	49 Å²	49	106 Å²	106	30%	0.301	54%	0.542	S	S	.	.	P	Polyproline II helix	trans	-70.7	158.4	165.7	56.9	0	0	0	0	111	T70	T66-T70 PolarHBondContact OG1-O 3.33Å
67	P	94.9	Very high	84	Confident	92 Å²	92	101.2 Å²	101.2	60%	0.597	52%	0.516	S	S	*	.	P	Polyproline II helix	trans	-52	148.9	167.7	-27.5	34.9	0	0	0	112.8	G69 T70	P67-G69 PolarHBondContact O-N 3.26Å; P67-T70 HydrophobicContact CB-CG2 4.14Å; P67-T70 WeakPolarHBondContact CD-OG1 3.31Å; P67-T70 PolarHBondContact O-N 3.27Å; P67-T70 PolarHBondContact O-OG1 3.17Å; P67-T70 VanDerWaalsContact O-OG1 3.07Å
68	K	92.1	Very high	86.2	Confident	143 Å²	143	96.6 Å²	96.6	62%	0.622	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	124.8	179.9	-179.4	-179.9	178.8	-179.7	0	110.5	P169 R177	K68-P169 HydrophobicContact CG-CG 4.21Å; K68-R177 WeakPolarHBondContact O-CD 3.48Å
69	G	90.9	Very high	88.2	Confident	6 Å²	6	95.2 Å²	95.2	6%	0.062	47%	0.473	C	S	.	.	T	Hydrogen-bonded Turn	trans	82.2	12.9	178.8	0	0	0	0	0	114.3	P67 R177	P67-G69 PolarHBondContact O-N 3.26Å; G69-R177 PolarHBondContact O-N 2.94Å
70	T	93	Very high	90.1	Very high	27 Å²	27	86 Å²	86	17%	0.166	43%	0.434	C	S	.	.			trans	-119.8	160.2	168.5	76.8	0	0	0	0	110.1	T66 P67 E178	T66-T70 PolarHBondContact OG1-O 3.33Å; P67-T70 HydrophobicContact CB-CG2 4.14Å; P67-T70 WeakPolarHBondContact CD-OG1 3.31Å; P67-T70 PolarHBondContact O-N 3.27Å; P67-T70 PolarHBondContact O-OG1 3.17Å; P67-T70 VanDerWaalsContact O-OG1 3.07Å; T70-E178 HydrophobicContact CG2-CB 3.78Å
71	R	90.9	Very high	91.8	Very high	44 Å²	44	78.7 Å²	78.7	17%	0.166	40%	0.4	C	S	.	.			trans	-148.9	153.4	-178.5	62.2	178.1	172	160.4	3.5	111.6	Y73 R81 Y176 E406	R71-Y73 HydrophobicContact CG-CD1 4.49Å; R71-Y73 HydrophobicContact CG-CE1 3.67Å; R71-Y73 PolarHBondContact NE-OH 3.21Å; R71-R81 VanDerWaalsContact NH2-NH2 3.19Å; R71-Y176 PolarHBondContact NH1-OH 3.49Å; R71-E406 IonicContact CZ-OE2 2.79Å; R71-E406 IonicContact NH2-OE2 3.93Å; R71-E406 PolarHBondContact NH2-OE2 3.34Å
72	D	94.3	Very high	92.8	Very high	130 Å²	130	75.4 Å²	75.4	70%	0.695	39%	0.385	S	S	*	.			trans	-79	158.3	164.6	-58.1	-46.4	0	0	0	110.2
73	Y	91.8	Very high	93	Very high	40 Å²	40	74.9 Å²	74.9	16%	0.157	38%	0.378	C	S	.	.			trans	-117.2	118.3	176.4	-61.3	-65.1	0	0	0	109.3	R71 M78 R81	R71-Y73 HydrophobicContact CG-CD1 4.49Å; R71-Y73 HydrophobicContact CG-CE1 3.67Å; R71-Y73 PolarHBondContact NE-OH 3.21Å; Y73-M78 WeakPolarHBondContact CB-SD 3.36Å; Y73-M78 HydrophobicContact CD2-SD 4.47Å; Y73-M78 HydrophobicContact CG-SD 4.15Å; Y73-R81 VanDerWaalsContact CD1-NE 3.25Å; Y73-R81 VanDerWaalsContact CZ-NH2 3.26Å; Y73-R81 PolarHBondContact OH-NH1 3.11Å; Y73-R81 PolarHBondContact OH-NH2 3.2Å
74	N	92.6	Very high	93.1	Very high	80 Å²	80	70.6 Å²	70.6	43%	0.428	35%	0.352	S	S	.	.			trans	-75.9	166.9	178.3	72.3	44.2	0	0	0	111.3	K76 Q77 M78	N74-K76 VanDerWaalsContact C-N 3.28Å; N74-K76 PolarHBondContact O-N 2.97Å; N74-K76 WeakPolarHBondContact OD1-CB 3.32Å; N74-K76 PolarHBondContact OD1-N 3.28Å; N74-K76 VanDerWaalsContact OD1-N 3.07Å; N74-Q77 PolarHBondContact ND2-OE1 3.12Å; N74-Q77 WeakPolarHBondContact O-CB 3.43Å; N74-Q77 PolarHBondContact O-N 3.42Å; N74-Q77 VanDerWaalsContact O-N 3.08Å; N74-Q77 WeakPolarHBondContact OD1-CG 3.37Å; N74-Q77 PolarHBondContact OD1-N 3.46Å; N74-M78 PolarHBondContact O-N 3.35Å
75	P	94.3	Very high	93.2	Very high	86 Å²	86	64.9 Å²	64.9	56%	0.558	32%	0.321	S	S	*	.	H	α-helix	trans	-56.6	-36	-176.5	-28.8	36.6	0	0	0	114.8	M78 A79 T425	P75-M78 PolarHBondContact O-N 3.42Å; P75-A79 WeakPolarHBondContact O-CB 3.43Å; P75-A79 PolarHBondContact O-N 3.41Å; P75-T425 HydrophobicContact CB-CG2 3.9Å
76	K	91.4	Very high	93.4	Very high	80 Å²	80	61.3 Å²	61.3	35%	0.348	31%	0.31	S	S	.	.	H	α-helix	trans	-66.1	-44.5	176.7	-178	178.5	179.1	-176.6	0	111.2	N74 M78 A79 I80 V423 T425	N74-K76 VanDerWaalsContact C-N 3.28Å; N74-K76 PolarHBondContact O-N 2.97Å; N74-K76 WeakPolarHBondContact OD1-CB 3.32Å; N74-K76 PolarHBondContact OD1-N 3.28Å; N74-K76 VanDerWaalsContact OD1-N 3.07Å; K76-M78 VanDerWaalsContact C-N 3.33Å; K76-A79 PolarHBondContact O-N 3.08Å; K76-I80 HydrophobicContact CG-CD1 4.46Å; K76-I80 WeakPolarHBondContact O-CG1 3.46Å; K76-I80 PolarHBondContact O-N 3.11Å; K76-V423 HydrophobicContact CG-CB 4.15Å; K76-V423 HydrophobicContact CG-CG1 4.37Å; K76-T425 HydrophobicContact CB-CG2 4.29Å
77	Q	91.1	Very high	93.5	Very high	33 Å²	33	59.8 Å²	59.8	15%	0.154	30%	0.301	C	S	.	.	H	α-helix	trans	-63.4	-42.2	175.9	-65.8	176.7	-54.9	0	0	110.9	N74 I80 R81 E413	N74-Q77 PolarHBondContact ND2-OE1 3.12Å; N74-Q77 WeakPolarHBondContact O-CB 3.43Å; N74-Q77 PolarHBondContact O-N 3.42Å; N74-Q77 VanDerWaalsContact O-N 3.08Å; N74-Q77 WeakPolarHBondContact OD1-CG 3.37Å; N74-Q77 PolarHBondContact OD1-N 3.46Å; Q77-I80 PolarHBondContact O-N 3.3Å; Q77-R81 WeakPolarHBondContact O-CB 3.3Å; Q77-R81 WeakPolarHBondContact O-CD 3.5Å; Q77-R81 WeakPolarHBondContact O-CG 3.45Å; Q77-R81 PolarHBondContact O-N 2.99Å; Q77-E413 HydrophobicContact CG-CG 4.48Å; Q77-E413 PolarHBondContact NE2-OE2 3.44Å
78	M	95.1	Very high	93.6	Very high	65 Å²	65	55.4 Å²	55.4	32%	0.32	27%	0.272	S	S	.	.	H	α-helix	trans	-63.5	-41.9	177.3	-72.6	-55.2	-57.2	0	0	112.7	Y73 N74 P75 K76 I80 R81 E82	Y73-M78 WeakPolarHBondContact CB-SD 3.36Å; Y73-M78 HydrophobicContact CD2-SD 4.47Å; Y73-M78 HydrophobicContact CG-SD 4.15Å; N74-M78 PolarHBondContact O-N 3.35Å; P75-M78 PolarHBondContact O-N 3.42Å; K76-M78 VanDerWaalsContact C-N 3.33Å; M78-I80 VanDerWaalsContact C-N 3.33Å; M78-I80 PolarHBondContact O-N 2.96Å; M78-R81 WeakPolarHBondContact O-CB 3.26Å; M78-R81 PolarHBondContact O-N 3.27Å; M78-R81 VanDerWaalsContact O-N 3.16Å; M78-E82 WeakPolarHBondContact O-CB 3.19Å; M78-E82 WeakPolarHBondContact O-CG 3.48Å; M78-E82 PolarHBondContact O-N 2.91Å
79	A	93.2	Very high	93.9	Very high	23 Å²	23	49.8 Å²	49.8	19%	0.19	25%	0.25	C	C	.	.	H	α-helix	trans	-59.7	-42.7	175.6	0	0	0	0	0	112.4	P75 K76 R83 V423 R424	P75-A79 WeakPolarHBondContact O-CB 3.43Å; P75-A79 PolarHBondContact O-N 3.41Å; K76-A79 PolarHBondContact O-N 3.08Å; A79-R83 PolarHBondContact O-N 2.95Å; A79-V423 HydrophobicContact CB-CG1 3.85Å; A79-R424 WeakPolarHBondContact CB-O 3.4Å
80	I	91.6	Very high	94.3	Very high	12 Å²	12	56.9 Å²	56.9	6%	0.062	28%	0.275	C	S	.	.	H	α-helix	trans	-64.4	-44.8	175	-66.2	169.2	0	0	0	110.3	K76 Q77 M78 E82 R83 V84 M412 E413 A416 V423	K76-I80 HydrophobicContact CG-CD1 4.46Å; K76-I80 WeakPolarHBondContact O-CG1 3.46Å; K76-I80 PolarHBondContact O-N 3.11Å; Q77-I80 PolarHBondContact O-N 3.3Å; M78-I80 VanDerWaalsContact C-N 3.33Å; M78-I80 PolarHBondContact O-N 2.96Å; I80-E82 PolarHBondContact O-N 3.07Å; I80-R83 WeakPolarHBondContact O-CB 3.28Å; I80-R83 PolarHBondContact O-N 3.25Å; I80-V84 WeakPolarHBondContact O-CG2 3.42Å; I80-V84 PolarHBondContact O-N 2.88Å; I80-M412 HydrophobicContact CG2-CB 3.8Å; I80-E413 HydrophobicContact CD1-CB 4.46Å; I80-E413 HydrophobicContact CD1-CG 3.86Å; I80-E413 HydrophobicContact CG2-CG 4.47Å; I80-A416 HydrophobicContact CD1-CB 4.13Å; I80-V423 HydrophobicContact CD1-CG2 4.47Å; I80-V423 HydrophobicContact CG1-CG1 4.23Å; I80-V423 HydrophobicContact CG1-CG2 4.48Å
81	R	93.8	Very high	94.5	Very high	2 Å²	2	55.6 Å²	55.6	1%	0.008	27%	0.267	C	S	.	.	H	α-helix	trans	-60.7	-46	179.7	-72.5	164.5	166.1	-105.4	-24	112.4	R71 Y73 Q77 M78 R83 V84 F85 E406 F409	R71-R81 VanDerWaalsContact NH2-NH2 3.19Å; Y73-R81 VanDerWaalsContact CD1-NE 3.25Å; Y73-R81 VanDerWaalsContact CZ-NH2 3.26Å; Y73-R81 PolarHBondContact OH-NH1 3.11Å; Y73-R81 PolarHBondContact OH-NH2 3.2Å; Q77-R81 WeakPolarHBondContact O-CB 3.3Å; Q77-R81 WeakPolarHBondContact O-CD 3.5Å; Q77-R81 WeakPolarHBondContact O-CG 3.45Å; Q77-R81 PolarHBondContact O-N 2.99Å; M78-R81 WeakPolarHBondContact O-CB 3.26Å; M78-R81 PolarHBondContact O-N 3.27Å; M78-R81 VanDerWaalsContact O-N 3.16Å; R81-R83 VanDerWaalsContact C-N 3.32Å; R81-R83 PolarHBondContact O-N 2.81Å; R81-V84 PolarHBondContact O-N 3.13Å; R81-F85 HydrophobicContact CB-CD2 4.26Å; R81-F85 HydrophobicContact CB-CE2 4.08Å; R81-F85 WeakPolarHBondContact O-CB 3.21Å; R81-F85 WeakPolarHBondContact O-CD2 3.39Å; R81-F85 WeakPolarHBondContact O-CG 3.17Å; R81-F85 PolarHBondContact O-N 3.38Å; R81-E406 IonicContact NH1-OE1 3.42Å; R81-E406 IonicContact NH2-OE1 2.89Å; R81-E406 PolarHBondContact NH2-OE1 3.41Å; R81-E406 IonicContact NH2-OE2 3.8Å; R81-E406 PolarHBondContact NH2-OE2 3.19Å; R81-F409 HydrophobicContact CB-CD1 4.32Å; R81-F409 HydrophobicContact CB-CE1 3.79Å; R81-F409 HydrophobicContact CB-CZ 3.9Å; R81-F409 HydrophobicContact CG-CD1 3.68Å; R81-F409 HydrophobicContact CG-CD2 3.97Å; R81-F409 HydrophobicContact CG-CE1 3.56Å; R81-F409 HydrophobicContact CG-CE2 3.84Å; R81-F409 HydrophobicContact CG-CG 3.88Å; R81-F409 HydrophobicContact CG-CZ 3.62Å
82	E	94.9	Very high	94.9	Very high	97 Å²	97	53.5 Å²	53.5	45%	0.453	26%	0.259	S	S	.	.	H	α-helix	trans	-60.6	-41.4	177.5	-75.7	-179.3	178.9	0	0	111.6	M78 I80 V84 F85 N86	M78-E82 WeakPolarHBondContact O-CB 3.19Å; M78-E82 WeakPolarHBondContact O-CG 3.48Å; M78-E82 PolarHBondContact O-N 2.91Å; I80-E82 PolarHBondContact O-N 3.07Å; E82-V84 VanDerWaalsContact C-N 3.34Å; E82-V84 PolarHBondContact O-N 3.24Å; E82-F85 PolarHBondContact O-N 3.43Å; E82-N86 VanDerWaalsContact O-CB 3.25Å; E82-N86 WeakPolarHBondContact O-CB 3.26Å; E82-N86 PolarHBondContact O-N 3.42Å; E82-N86 PolarHBondContact O-ND2 2.71Å; E82-N86 VanDerWaalsContact O-ND2 3.15Å
83	R	92.2	Very high	95.1	Very high	154 Å²	154	53.4 Å²	53.4	58%	0.581	25%	0.252	S	S	*	.	H	α-helix	trans	-56.8	-47.3	174.3	-175.2	176.7	177.6	173.3	-1.1	111.7	A79 I80 R81 N86 T87	A79-R83 PolarHBondContact O-N 2.95Å; I80-R83 WeakPolarHBondContact O-CB 3.28Å; I80-R83 PolarHBondContact O-N 3.25Å; R81-R83 VanDerWaalsContact C-N 3.32Å; R81-R83 PolarHBondContact O-N 2.81Å; R83-N86 PolarHBondContact O-N 2.94Å; R83-T87 PolarHBondContact O-N 3.48Å; R83-T87 VanDerWaalsContact O-N 3.08Å; R83-T87 PolarHBondContact O-OG1 2.82Å
84	V	94.2	Very high	95.4	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-67	-46.3	178.9	178.5	0	0	0	0	111.7	I80 R81 E82 N86 T87 I88 L210 I405 I408 F409 M412	I80-V84 WeakPolarHBondContact O-CG2 3.42Å; I80-V84 PolarHBondContact O-N 2.88Å; R81-V84 PolarHBondContact O-N 3.13Å; E82-V84 VanDerWaalsContact C-N 3.34Å; E82-V84 PolarHBondContact O-N 3.24Å; V84-N86 PolarHBondContact O-N 3.48Å; V84-T87 PolarHBondContact O-N 3.1Å; V84-I88 HydrophobicContact CG1-CD1 3.78Å; V84-I88 HydrophobicContact CG1-CG1 4.46Å; V84-I88 WeakPolarHBondContact O-CG1 3.25Å; V84-I88 PolarHBondContact O-N 2.8Å; V84-L210 HydrophobicContact CB-CD2 4.22Å; V84-L210 HydrophobicContact CG1-CD1 4.21Å; V84-L210 HydrophobicContact CG1-CD2 3.89Å; V84-L210 HydrophobicContact CG2-CD2 4.08Å; V84-I405 HydrophobicContact CG1-CD1 3.66Å; V84-I405 HydrophobicContact CG1-CG1 3.8Å; V84-I408 HydrophobicContact CG1-CG2 3.91Å; V84-I408 HydrophobicContact CG2-CG2 4.33Å; V84-F409 HydrophobicContact CB-CD1 4.3Å; V84-F409 HydrophobicContact CB-CE1 3.81Å; V84-F409 HydrophobicContact CG1-CD1 4.43Å; V84-F409 HydrophobicContact CG1-CE1 3.95Å; V84-F409 HydrophobicContact CG2-CD1 4.17Å; V84-F409 HydrophobicContact CG2-CE1 4.17Å; V84-M412 HydrophobicContact CG2-CE 3.77Å; V84-M412 HydrophobicContact CG2-SD 3.17Å; V84-M412 WeakPolarHBondContact CG2-SD 3.36Å
85	F	97	Very high	95.7	Very high	28 Å²	28	54.9 Å²	54.9	12%	0.123	25%	0.253	C	S	.	.	H	α-helix	trans	-58.5	-39	176.6	-74.9	-50.5	0	0	0	111.3	R81 E82 I88 T89 I160 Y180 I405 F409	R81-F85 HydrophobicContact CB-CD2 4.26Å; R81-F85 HydrophobicContact CB-CE2 4.08Å; R81-F85 WeakPolarHBondContact O-CB 3.21Å; R81-F85 WeakPolarHBondContact O-CD2 3.39Å; R81-F85 WeakPolarHBondContact O-CG 3.17Å; R81-F85 PolarHBondContact O-N 3.38Å; E82-F85 PolarHBondContact O-N 3.43Å; F85-I88 PolarHBondContact O-N 3.4Å; F85-T89 WeakPolarHBondContact O-CB 3.17Å; F85-T89 PolarHBondContact O-N 3.46Å; F85-T89 PolarHBondContact O-OG1 3Å; F85-I160 HydrophobicContact CD1-CD1 4.48Å; F85-I160 HydrophobicContact CD1-CG2 3.69Å; F85-I160 HydrophobicContact CE1-CG2 3.43Å; F85-I160 VanDerWaalsContact CE1-CG2 3.43Å; F85-I160 HydrophobicContact CZ-CG2 4.33Å; F85-Y180 HydrophobicContact CE1-CD1 4.11Å; F85-Y180 HydrophobicContact CE1-CG 4.3Å; F85-Y180 AromaticContact CZ-CD1 3.74Å; F85-Y180 HydrophobicContact CZ-CD1 3.74Å; F85-Y180 HydrophobicContact CZ-CD2 4.06Å; F85-Y180 AromaticContact CZ-CE1 3.99Å; F85-Y180 HydrophobicContact CZ-CE1 3.99Å; F85-Y180 HydrophobicContact CZ-CE2 4.29Å; F85-Y180 AromaticContact CZ-CG 3.78Å; F85-Y180 HydrophobicContact CZ-CG 3.78Å; F85-I405 HydrophobicContact CD1-CD1 3.54Å; F85-I405 HydrophobicContact CE1-CD1 3.4Å; F85-I405 HydrophobicContact CG-CD1 4.4Å; F85-I405 HydrophobicContact CZ-CD1 4.17Å; F85-F409 HydrophobicContact CD2-CZ 4.46Å; F85-F409 HydrophobicContact CE1-CZ 4.05Å; F85-F409 AromaticContact CE2-CZ 3.87Å; F85-F409 HydrophobicContact CE2-CZ 3.87Å; F85-F409 HydrophobicContact CZ-CE2 4.26Å; F85-F409 AromaticContact CZ-CZ 3.64Å; F85-F409 HydrophobicContact CZ-CZ 3.64Å
86	N	96.7	Very high	95.9	Very high	97 Å²	97	53.3 Å²	53.3	52%	0.519	25%	0.252	S	S	.	.	H	α-helix	trans	-65.8	-42.8	177	-75	-26.8	0	0	0	112.2	E82 R83 V84 R90	E82-N86 VanDerWaalsContact O-CB 3.25Å; E82-N86 WeakPolarHBondContact O-CB 3.26Å; E82-N86 PolarHBondContact O-N 3.42Å; E82-N86 PolarHBondContact O-ND2 2.71Å; E82-N86 VanDerWaalsContact O-ND2 3.15Å; R83-N86 PolarHBondContact O-N 2.94Å; V84-N86 PolarHBondContact O-N 3.48Å; N86-R90 VanDerWaalsContact O-CB 3.23Å; N86-R90 WeakPolarHBondContact O-CB 3.43Å; N86-R90 PolarHBondContact O-N 3.28Å
87	T	96.8	Very high	96.3	Very high	17 Å²	17	50 Å²	50	10%	0.104	24%	0.24	C	C	.	.	H	α-helix	trans	-59.4	-51.1	173.7	-62.1	0	0	0	0	111.1	R83 V84 T89 R90 C91 E209 L210	R83-T87 PolarHBondContact O-N 3.48Å; R83-T87 VanDerWaalsContact O-N 3.08Å; R83-T87 PolarHBondContact O-OG1 2.82Å; V84-T87 PolarHBondContact O-N 3.1Å; T87-T89 PolarHBondContact O-N 2.92Å; T87-R90 PolarHBondContact O-N 3.09Å; T87-C91 PolarHBondContact O-N 3.45Å; T87-E209 HydrophobicContact CG2-CB 3.68Å; T87-L210 HydrophobicContact CG2-CD2 3.91Å; T87-L210 HydrophobicContact CG2-CG 4.13Å
88	I	97.7	Very high	96.6	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-60.7	-48.7	179.6	-69.2	170.4	0	0	0	111.1	V84 F85 R90 C91 F92 I160 C182 I206 I403 I405	V84-I88 HydrophobicContact CG1-CD1 3.78Å; V84-I88 HydrophobicContact CG1-CG1 4.46Å; V84-I88 WeakPolarHBondContact O-CG1 3.25Å; V84-I88 PolarHBondContact O-N 2.8Å; F85-I88 PolarHBondContact O-N 3.4Å; I88-R90 VanDerWaalsContact C-N 3.3Å; I88-R90 PolarHBondContact O-N 3.04Å; I88-C91 WeakPolarHBondContact O-CB 3.49Å; I88-C91 PolarHBondContact O-N 3.47Å; I88-F92 HydrophobicContact CG2-CD2 3.74Å; I88-F92 HydrophobicContact CG2-CE1 4.17Å; I88-F92 HydrophobicContact CG2-CE2 3.23Å; I88-F92 HydrophobicContact CG2-CG 4.43Å; I88-F92 HydrophobicContact CG2-CZ 3.48Å; I88-F92 VanDerWaalsContact CG2-CZ 3.48Å; I88-F92 WeakPolarHBondContact O-CG 3.27Å; I88-F92 PolarHBondContact O-N 3.32Å; I88-I160 HydrophobicContact CG2-CD1 4.29Å; I88-C182 HydrophobicContact CG2-CB 4.15Å; I88-I206 HydrophobicContact CD1-CG2 4.47Å; I88-I206 HydrophobicContact CG1-CD1 4.38Å; I88-I206 HydrophobicContact CG1-CG2 3.77Å; I88-I206 HydrophobicContact CG2-CD1 4.19Å; I88-I403 HydrophobicContact CD1-CG2 4.25Å; I88-I405 HydrophobicContact CD1-CD1 3.58Å; I88-I405 HydrophobicContact CD1-CG1 4.11Å
89	T	98.4	Very high	96.8	Very high	25 Å²	25	55.6 Å²	55.6	15%	0.153	27%	0.271	C	S	.	.	H	α-helix	trans	-62.8	-38.2	-179.7	-58.8	0	0	0	0	111.4	F85 T87 F92 K93 Y158 I160	F85-T89 WeakPolarHBondContact O-CB 3.17Å; F85-T89 PolarHBondContact O-N 3.46Å; F85-T89 PolarHBondContact O-OG1 3Å; T87-T89 PolarHBondContact O-N 2.92Å; T89-F92 PolarHBondContact O-N 3.26Å; T89-K93 HydrophobicContact CG2-CD 4.09Å; T89-K93 HydrophobicContact CG2-CG 4.4Å; T89-K93 WeakPolarHBondContact O-CB 3.36Å; T89-K93 VanDerWaalsContact O-CG 3.32Å; T89-K93 WeakPolarHBondContact O-CG 3.36Å; T89-K93 PolarHBondContact O-N 3.48Å; T89-Y158 HydrophobicContact CG2-CE2 4.26Å; T89-I160 WeakPolarHBondContact OG1-CD1 3.42Å
90	R	98.4	Very high	97	Very high	154 Å²	154	55.4 Å²	55.4	58%	0.581	27%	0.267	S	S	*	.	H	α-helix	trans	-63.6	-43.7	175.7	-172.7	-173	-56.8	156.3	1.8	111.2	N86 T87 I88 K93 R94	N86-R90 VanDerWaalsContact O-CB 3.23Å; N86-R90 WeakPolarHBondContact O-CB 3.43Å; N86-R90 PolarHBondContact O-N 3.28Å; T87-R90 PolarHBondContact O-N 3.09Å; I88-R90 VanDerWaalsContact C-N 3.3Å; I88-R90 PolarHBondContact O-N 3.04Å; R90-K93 PolarHBondContact O-N 3.42Å; R90-R94 VanDerWaalsContact O-CB 3.31Å; R90-R94 WeakPolarHBondContact O-CB 3.14Å; R90-R94 PolarHBondContact O-N 3.15Å
91	C	98.6	Very high	97.4	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-61	-48.9	174.8	-172.1	0	0	0	0	111.3	T87 I88 K93 R94 H95 E205 I206	T87-C91 PolarHBondContact O-N 3.45Å; I88-C91 WeakPolarHBondContact O-CB 3.49Å; I88-C91 PolarHBondContact O-N 3.47Å; C91-K93 VanDerWaalsContact C-N 3.33Å; C91-K93 PolarHBondContact O-N 2.98Å; C91-R94 WeakPolarHBondContact O-CB 3.4Å; C91-R94 PolarHBondContact O-N 3.4Å; C91-R94 VanDerWaalsContact O-N 3.16Å; C91-H95 PolarHBondContact O-CD2 2.84Å; C91-H95 PolarHBondContact O-N 2.72Å; C91-H95 VanDerWaalsContact O-N 3.08Å; C91-E205 PolarHBondContact SG-OE2 2.89Å; C91-E205 VanDerWaalsContact SG-OE2 3.41Å; C91-I206 HydrophobicContact CB-CD1 4.29Å; C91-I206 HydrophobicContact CB-CG1 3.73Å
92	F	98.7	Very high	97.6	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-59.2	-42.6	177.7	-65.2	-22	0	0	0	112.7	I88 T89 H95 G96 A97 Y158 I160 C182 F184 I202 I206	I88-F92 HydrophobicContact CG2-CD2 3.74Å; I88-F92 HydrophobicContact CG2-CE1 4.17Å; I88-F92 HydrophobicContact CG2-CE2 3.23Å; I88-F92 HydrophobicContact CG2-CG 4.43Å; I88-F92 HydrophobicContact CG2-CZ 3.48Å; I88-F92 VanDerWaalsContact CG2-CZ 3.48Å; I88-F92 WeakPolarHBondContact O-CG 3.27Å; I88-F92 PolarHBondContact O-N 3.32Å; T89-F92 PolarHBondContact O-N 3.26Å; F92-H95 CarbonylContact O-C 3.51Å; F92-H95 PolarHBondContact O-N 3.31Å; F92-G96 PolarHBondContact O-N 3.08Å; F92-A97 PolarHBondContact O-N 3.23Å; F92-A97 VanDerWaalsContact O-N 3.15Å; F92-Y158 HydrophobicContact CB-CD1 3.78Å; F92-Y158 HydrophobicContact CB-CE1 4.42Å; F92-Y158 HydrophobicContact CB-CG 3.85Å; F92-Y158 HydrophobicContact CD2-CD1 4.38Å; F92-Y158 AromaticContact CD2-CD2 3.74Å; F92-Y158 HydrophobicContact CD2-CD2 3.74Å; F92-Y158 AromaticContact CD2-CG 3.58Å; F92-Y158 HydrophobicContact CD2-CG 3.58Å; F92-Y158 HydrophobicContact CE2-CD2 4.44Å; F92-Y158 HydrophobicContact CE2-CG 4.43Å; F92-Y158 HydrophobicContact CG-CG 4.08Å; F92-I160 HydrophobicContact CE2-CD1 4.4Å; F92-I160 HydrophobicContact CE2-CG1 4.4Å; F92-C182 HydrophobicContact CE2-CB 4.34Å; F92-C182 HydrophobicContact CZ-CB 4.49Å; F92-F184 HydrophobicContact CB-CD2 4.12Å; F92-F184 HydrophobicContact CB-CE2 4.5Å; F92-F184 HydrophobicContact CD1-CB 3.94Å; F92-F184 AromaticContact CD1-CD2 3.46Å; F92-F184 HydrophobicContact CD1-CD2 3.46Å; F92-F184 VanDerWaalsContact CD1-CD2 3.46Å; F92-F184 HydrophobicContact CD1-CE2 4.29Å; F92-F184 HydrophobicContact CD1-CG 4.06Å; F92-F184 HydrophobicContact CE1-CB 3.54Å; F92-F184 AromaticContact CE1-CD2 4Å; F92-F184 HydrophobicContact CE1-CD2 4Å; F92-F184 HydrophobicContact CE1-CG 4.13Å; F92-F184 AromaticContact CG-CD2 3.9Å; F92-F184 HydrophobicContact CG-CD2 3.9Å; F92-F184 HydrophobicContact CZ-CB 3.88Å; F92-I202 HydrophobicContact CD1-CG2 3.91Å; F92-I202 HydrophobicContact CE1-CG2 3.71Å; F92-I206 HydrophobicContact CD1-CD1 4.2Å; F92-I206 HydrophobicContact CE1-CD1 3.57Å; F92-I206 HydrophobicContact CZ-CD1 4.14Å
93	K	98.6	Very high	97.8	Very high	129 Å²	129	60 Å²	60	56%	0.561	30%	0.299	S	S	*	.	H	α-helix	trans	-68.1	-35.8	175.4	-73.8	-179.5	177.3	-178.5	0	112.9	T89 R90 C91 H95 G96 Y158	T89-K93 HydrophobicContact CG2-CD 4.09Å; T89-K93 HydrophobicContact CG2-CG 4.4Å; T89-K93 WeakPolarHBondContact O-CB 3.36Å; T89-K93 VanDerWaalsContact O-CG 3.32Å; T89-K93 WeakPolarHBondContact O-CG 3.36Å; T89-K93 PolarHBondContact O-N 3.48Å; R90-K93 PolarHBondContact O-N 3.42Å; C91-K93 VanDerWaalsContact C-N 3.33Å; C91-K93 PolarHBondContact O-N 2.98Å; K93-H95 PolarHBondContact O-N 2.81Å; K93-G96 WeakPolarHBondContact O-CA 3.39Å; K93-G96 PolarHBondContact O-N 3.29Å; K93-Y158 WeakPolarHBondContact CE-OH 3.47Å; K93-Y158 HydrophobicContact CG-CE1 4.25Å
94	R	98.7	Very high	98.1	Very high	121 Å²	121	55 Å²	55	46%	0.457	29%	0.286	S	S	.	.	H	α-helix	trans	-60.3	-34.9	173.9	176.5	169.9	59.1	-143.4	-8.2	111.2	R90 C91 G96 E205 E209	R90-R94 VanDerWaalsContact O-CB 3.31Å; R90-R94 WeakPolarHBondContact O-CB 3.14Å; R90-R94 PolarHBondContact O-N 3.15Å; C91-R94 WeakPolarHBondContact O-CB 3.4Å; C91-R94 PolarHBondContact O-N 3.4Å; C91-R94 VanDerWaalsContact O-N 3.16Å; R94-G96 PolarHBondContact O-N 3.03Å; R94-E205 IonicContact CZ-OE2 2.83Å; R94-E205 VanDerWaalsContact CZ-OE2 3.22Å; R94-E205 IonicContact NE-OE2 3.9Å; R94-E205 PolarHBondContact NE-OE2 3.26Å; R94-E205 VanDerWaalsContact NE-OE2 3.08Å; R94-E205 IonicContact NH2-OE2 3.48Å; R94-E205 PolarHBondContact NH2-OE2 3.36Å; R94-E209 IonicContact CZ-OE1 3.82Å; R94-E209 VanDerWaalsContact CZ-OE1 3.22Å; R94-E209 IonicContact NH1-OE1 3.53Å; R94-E209 PolarHBondContact NH1-OE1 3.32Å; R94-E209 IonicContact NH2-OE1 2.78Å; R94-E209 PolarHBondContact NH2-OE1 3.19Å
95	H	98.7	Very high	98.2	Very high	30 Å²	30	59.1 Å²	59.1	14%	0.139	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.6	5.3	172.2	-78.3	-96.2	0	0	0	114	C91 F92 K93 A97 K156 F184 E198 I202 E205	C91-H95 PolarHBondContact O-CD2 2.84Å; C91-H95 PolarHBondContact O-N 2.72Å; C91-H95 VanDerWaalsContact O-N 3.08Å; F92-H95 CarbonylContact O-C 3.51Å; F92-H95 PolarHBondContact O-N 3.31Å; K93-H95 PolarHBondContact O-N 2.81Å; H95-A97 VanDerWaalsContact C-N 3.34Å; H95-A97 PolarHBondContact O-N 3.28Å; H95-K156 WeakPolarHBondContact O-CE 3.25Å; H95-K156 PolarHBondContact O-NZ 2.83Å; H95-F184 HydrophobicContact CB-CE2 4.09Å; H95-F184 HydrophobicContact CB-CZ 4.12Å; H95-E198 IonicContact CG-OE1 3.99Å; H95-E198 WeakPolarHBondContact ND1-CG 3.32Å; H95-E198 IonicContact ND1-OE1 3.82Å; H95-E198 PolarHBondContact ND1-OE1 2.87Å; H95-I202 HydrophobicContact CB-CD1 4Å; H95-I202 HydrophobicContact CB-CG1 4.36Å; H95-E205 IonicContact CD2-OE2 2.75Å; H95-E205 IonicContact NE2-OE1 2.63Å; H95-E205 IonicContact NE2-OE2 3.63Å; H95-E205 PolarHBondContact NE2-OE2 2.83Å
96	G	98.5	Very high	98.3	Very high	53 Å²	53	58.4 Å²	58.4	55%	0.546	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.5	24.9	174.7	0	0	0	0	0	114.5	F92 K93 R94	F92-G96 PolarHBondContact O-N 3.08Å; K93-G96 WeakPolarHBondContact O-CA 3.39Å; K93-G96 PolarHBondContact O-N 3.29Å; R94-G96 PolarHBondContact O-N 3.03Å
97	A	98.6	Very high	98.4	Very high	10 Å²	10	57.4 Å²	57.4	8%	0.083	30%	0.295	C	S	.	.			trans	-77.8	138.5	174.5	0	0	0	0	0	112.6	F92 H95 K156 Y158 F184	F92-A97 PolarHBondContact O-N 3.23Å; F92-A97 VanDerWaalsContact O-N 3.15Å; H95-A97 VanDerWaalsContact C-N 3.34Å; H95-A97 PolarHBondContact O-N 3.28Å; A97-K156 WeakPolarHBondContact CA-O 3.44Å; A97-K156 HydrophobicContact CB-CG 4.16Å; A97-Y158 HydrophobicContact CB-CD1 3.92Å; A97-F184 HydrophobicContact CB-CD2 3.81Å; A97-F184 HydrophobicContact CB-CE2 3.29Å; A97-F184 HydrophobicContact CB-CZ 4.11Å
98	E	98.6	Very high	98.3	Very high	126 Å²	126	60.3 Å²	60.3	59%	0.589	31%	0.306	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.2	159	170.7	-60.9	177.3	100.5	0	0	110.4	K156 R157 Y158	E98-K156 PolarHBondContact N-O 3.14Å; E98-R157 CarbonylContact O-C 3.49Å; E98-R157 WeakPolarHBondContact O-CA 3.22Å; E98-Y158 WeakPolarHBondContact O-CD1 3.42Å; E98-Y158 PolarHBondContact O-N 3.49Å
99	T	98.4	Very high	98.2	Very high	89 Å²	89	68.4 Å²	68.4	55%	0.546	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	137.8	174.3	-165	0	0	0	0	110.1	Y158	T99-Y158 VanDerWaalsContact CB-CZ 3.46Å; T99-Y158 WeakPolarHBondContact OG1-CE2 3.46Å
100	I	98.5	Very high	98	Very high	19 Å²	19	68.1 Å²	68.1	10%	0.097	34%	0.343	C	S	.	.			trans	-122.3	167.5	168.2	67.3	175.5	0	0	0	109.3	F143 Y146 I155 R157 Y158 H159	I100-F143 HydrophobicContact CD1-CD2 3.85Å; I100-F143 HydrophobicContact CD1-CE2 4.4Å; I100-Y146 HydrophobicContact CD1-CD1 4.16Å; I100-Y146 HydrophobicContact CD1-CE1 4.42Å; I100-Y146 HydrophobicContact CD1-CG 4.33Å; I100-Y146 HydrophobicContact CG2-CE1 4.33Å; I100-I155 HydrophobicContact CG2-CD1 4.45Å; I100-R157 HydrophobicContact CD1-CG 4.42Å; I100-Y158 PolarHBondContact N-O 3.46Å; I100-H159 PolarHBondContact O-CD2 3.23Å; I100-H159 VanDerWaalsContact O-CD2 3.27Å
101	D	98.6	Very high	97.7	Very high	119 Å²	119	60.9 Å²	60.9	64%	0.636	32%	0.315	S	S	*	.			trans	-138	152.4	164.2	-167.9	25.8	0	0	0	109.9	R136 H159	D101-R136 IonicContact OD1-NH1 3.42Å; D101-H159 IonicContact OD1-CD2 3.59Å; D101-H159 IonicContact OD1-CE1 2.68Å; D101-H159 IonicContact OD1-NE2 3.17Å; D101-H159 PolarHBondContact OD1-NE2 2.82Å
102	T	98.6	Very high	97.2	Very high	7 Å²	7	64.8 Å²	64.8	4%	0.043	34%	0.339	C	S	.	.			trans	-127.8	156.5	177.5	74.2	0	0	0	0	109.7	R136 P142	T102-R136 PolarHBondContact O-NH1 3.42Å; T102-R136 PolarHBondContact OG1-NH1 3.26Å; T102-P142 HydrophobicContact CG2-CB 4.09Å
103	P	98.7	Very high	96.3	Very high	81 Å²	81	67.8 Å²	67.8	53%	0.526	37%	0.37	S	S	.	.			trans	-51.6	151.5	171.2	-27	36.7	0	0	0	112.4	F105 R136	P103-F105 WeakPolarHBondContact CB-O 3.39Å; P103-F105 PolarHBondContact O-N 3.39Å; P103-R136 PolarHBondContact O-NH1 3.29Å
104	V	98.4	Very high	95.6	Very high	49 Å²	49	63.3 Å²	63.3	30%	0.297	35%	0.351	S	S	.	.	S	Bend	trans	-71	-24.3	179.8	71.3	0	0	0	0	112.6	L135 R136 Y164	V104-L135 HydrophobicContact CG1-CD2 4.49Å; V104-L135 HydrophobicContact CG2-CD2 4.42Å; V104-R136 PolarHBondContact O-N 3.49Å; V104-Y164 HydrophobicContact CG2-CD2 4.25Å; V104-Y164 HydrophobicContact CG2-CE2 3.42Å; V104-Y164 VanDerWaalsContact CG2-CE2 3.42Å
105	F	97.6	Very high	94.5	Very high	88 Å²	88	57.7 Å²	57.7	39%	0.386	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	146.4	173.6	44.9	-103.6	0	0	0	110.6	P103 L125 L133 S134 L135	P103-F105 WeakPolarHBondContact CB-O 3.39Å; P103-F105 PolarHBondContact O-N 3.39Å; F105-L125 HydrophobicContact CD1-CD2 4.29Å; F105-L133 HydrophobicContact CB-CB 4.43Å; F105-L133 HydrophobicContact CD2-CD1 3.85Å; F105-L133 HydrophobicContact CD2-CD2 4.33Å; F105-L133 HydrophobicContact CD2-CG 4.5Å; F105-L133 HydrophobicContact CE2-CD1 4.03Å; F105-L133 HydrophobicContact CG-CD1 4.4Å; F105-S134 CarbonylContact C-O 3.53Å; F105-S134 WeakPolarHBondContact CA-O 3.42Å; F105-S134 WeakPolarHBondContact CB-O 3.34Å; F105-L135 HydrophobicContact CB-CD2 4.31Å
106	E	98.4	Very high	93.4	Very high	13 Å²	13	57.7 Å²	57.7	6%	0.061	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	166.3	170.9	-62.4	-66.9	154.4	0	0	109	K108 T110 L111 L133 S134 P142 R145	E106-K108 PolarHBondContact O-N 2.99Å; E106-T110 HydrophobicContact CB-CG2 4.23Å; E106-T110 HydrophobicContact CG-CG2 4.44Å; E106-L111 HydrophobicContact CB-CD1 4.33Å; E106-L111 HydrophobicContact CB-CD2 4.19Å; E106-L111 HydrophobicContact CB-CG 4.07Å; E106-L111 HydrophobicContact CG-CD2 4.12Å; E106-L133 WeakPolarHBondContact O-CA 3.42Å; E106-S134 PolarHBondContact N-O 3.25Å; E106-S134 PolarHBondContact O-N 2.89Å; E106-P142 HydrophobicContact CG-CG 4.36Å; E106-R145 VanDerWaalsContact CD-NH2 3.31Å; E106-R145 IonicContact OE1-CZ 3.73Å; E106-R145 IonicContact OE1-NE 2.82Å; E106-R145 IonicContact OE1-NH2 3.29Å; E106-R145 PolarHBondContact OE1-NH2 2.81Å; E106-R145 IonicContact OE2-CZ 2.81Å; E106-R145 IonicContact OE2-NE 3.51Å; E106-R145 PolarHBondContact OE2-NE 2.8Å; E106-R145 IonicContact OE2-NH2 2.84Å; E106-R145 PolarHBondContact OE2-NH2 2.95Å
107	L	98.1	Very high	92.2	Very high	75 Å²	75	62.3 Å²	62.3	39%	0.393	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.9	134.2	162.4	-67.1	174.3	0	0	0	108.7	E109 T110 E131 L133	L107-E109 PolarHBondContact O-N 2.84Å; L107-E109 VanDerWaalsContact O-N 3.12Å; L107-T110 WeakPolarHBondContact O-CA 3.4Å; L107-T110 WeakPolarHBondContact O-CB 3.25Å; L107-T110 PolarHBondContact O-N 3.28Å; L107-E131 HydrophobicContact CD2-CB 3.84Å; L107-E131 HydrophobicContact CD2-CG 4.18Å; L107-L133 HydrophobicContact CD2-CD2 3.95Å
108	K	96.3	Very high	91.1	Very high	78 Å²	78	64.5 Å²	64.5	34%	0.339	36%	0.355	S	S	.	.	H	α-helix	trans	-53.2	-38.4	-178.2	176.5	167.2	178.1	165.4	0	112.5	E106 T110 L111 T112 D124 L132 S134	E106-K108 PolarHBondContact O-N 2.99Å; K108-T110 VanDerWaalsContact C-N 3.26Å; K108-T110 PolarHBondContact O-N 3.05Å; K108-L111 PolarHBondContact O-N 3.1Å; K108-T112 PolarHBondContact O-N 2.84Å; K108-T112 PolarHBondContact O-OG1 3.18Å; K108-D124 IonicContact NZ-OD1 3.75Å; K108-D124 IonicContact NZ-OD2 3.59Å; K108-D124 PolarHBondContact NZ-OD2 2.85Å; K108-L132 HydrophobicContact CB-CB 4.13Å; K108-L132 WeakPolarHBondContact CB-O 3.46Å; K108-L132 HydrophobicContact CD-CB 4.5Å; K108-L132 PolarHBondContact N-O 3.31Å; K108-S134 WeakPolarHBondContact CB-OG 3.48Å; K108-S134 WeakPolarHBondContact CG-OG 3.26Å
109	E	94.9	Very high	90.1	Very high	171 Å²	171	60.1 Å²	60.1	80%	0.799	34%	0.339	S	S	*	.	H	α-helix	trans	-64.3	-29	177.9	-168.3	175.1	-172	0	0	112.9	L107 L111 T112	L107-E109 PolarHBondContact O-N 2.84Å; L107-E109 VanDerWaalsContact O-N 3.12Å; E109-L111 VanDerWaalsContact C-N 3.26Å; E109-L111 PolarHBondContact O-N 3.01Å; E109-T112 PolarHBondContact O-N 2.81Å
110	T	94.6	Very high	89.4	Confident	19 Å²	19	64.3 Å²	64.3	12%	0.117	35%	0.349	C	S	.	.	H	α-helix	trans	-62.5	-35.3	175.7	-62.7	0	0	0	0	111.7	E106 L107 K108 V141 R145 F389	E106-T110 HydrophobicContact CB-CG2 4.23Å; E106-T110 HydrophobicContact CG-CG2 4.44Å; L107-T110 WeakPolarHBondContact O-CA 3.4Å; L107-T110 WeakPolarHBondContact O-CB 3.25Å; L107-T110 PolarHBondContact O-N 3.28Å; K108-T110 VanDerWaalsContact C-N 3.26Å; K108-T110 PolarHBondContact O-N 3.05Å; T110-V141 HydrophobicContact CG2-CG1 4.45Å; T110-R145 HydrophobicContact CG2-CB 4.08Å; T110-R145 HydrophobicContact CG2-CG 3.89Å; T110-F389 HydrophobicContact CG2-CE1 3.74Å; T110-F389 HydrophobicContact CG2-CZ 4.02Å; T110-F389 WeakPolarHBondContact O-CZ 3.28Å
111	L	92.4	Very high	88.9	Confident	1 Å²	1	65.5 Å²	65.5	1%	0.005	36%	0.356	C	S	.	.	H	α-helix	trans	-93	-15.1	-176.6	-56.8	-175.1	0	0	0	113.3	E106 K108 E109 Y115 I122 L135 V141	E106-L111 HydrophobicContact CB-CD1 4.33Å; E106-L111 HydrophobicContact CB-CD2 4.19Å; E106-L111 HydrophobicContact CB-CG 4.07Å; E106-L111 HydrophobicContact CG-CD2 4.12Å; K108-L111 PolarHBondContact O-N 3.1Å; E109-L111 VanDerWaalsContact C-N 3.26Å; E109-L111 PolarHBondContact O-N 3.01Å; L111-Y115 HydrophobicContact CB-CE2 4.12Å; L111-Y115 HydrophobicContact CD2-CE2 4.3Å; L111-Y115 WeakPolarHBondContact O-CD2 3.43Å; L111-Y115 WeakPolarHBondContact O-CE2 3.44Å; L111-I122 HydrophobicContact CB-CD1 3.97Å; L111-I122 HydrophobicContact CD1-CG2 4.3Å; L111-L135 WeakPolarHBondContact CD1-O 3.22Å; L111-V141 HydrophobicContact CD2-CB 4.46Å; L111-V141 HydrophobicContact CD2-CG1 3.94Å
112	T	87.4	Confident	88.7	Confident	82 Å²	82	60.5 Å²	60.5	50%	0.503	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74	133.1	-173.6	-60.6	0	0	0	0	111	K108 E109 K114	K108-T112 PolarHBondContact O-N 2.84Å; K108-T112 PolarHBondContact O-OG1 3.18Å; E109-T112 PolarHBondContact O-N 2.81Å; T112-K114 VanDerWaalsContact C-N 3.3Å; T112-K114 PolarHBondContact O-N 3.14Å
113	G	80.4	Confident	88.6	Confident	63 Å²	63	63.1 Å²	63.1	65%	0.649	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.1	11.2	175.1	0	0	0	0	0	115.4
114	K	82.4	Confident	88.5	Confident	35 Å²	35	63.1 Å²	63.1	15%	0.152	33%	0.334	C	S	.	.	S	Bend	trans	-96.9	-21.3	-179.9	-52.9	-52.7	-177.9	-170.6	0	114.2	T112 V141 M388 F389	T112-K114 VanDerWaalsContact C-N 3.3Å; T112-K114 PolarHBondContact O-N 3.14Å; K114-V141 HydrophobicContact CB-CG2 4.05Å; K114-V141 HydrophobicContact CG-CG1 4.24Å; K114-M388 HydrophobicContact CD-SD 3.89Å; K114-M388 VanDerWaalsContact NZ-CB 3.3Å; K114-M388 PolarHBondContact NZ-SD 3.29Å; K114-F389 HydrophobicContact CD-CZ 4.43Å; K114-F389 HydrophobicContact CG-CZ 4.49Å
115	Y	76.4	Confident	88.5	Confident	3 Å²	3	64.1 Å²	64.1	1%	0.012	34%	0.337	C	S	.	.	S	Bend	trans	-116.5	14.3	-169	-53.4	-75.7	0	0	0	113.9	L111 E117 D118 I122 Y137 D138 V141	L111-Y115 HydrophobicContact CB-CE2 4.12Å; L111-Y115 HydrophobicContact CD2-CE2 4.3Å; L111-Y115 WeakPolarHBondContact O-CD2 3.43Å; L111-Y115 WeakPolarHBondContact O-CE2 3.44Å; Y115-E117 PolarHBondContact O-N 3.08Å; Y115-D118 WeakPolarHBondContact O-CB 3.47Å; Y115-D118 PolarHBondContact O-N 2.92Å; Y115-D118 VanDerWaalsContact O-N 3.08Å; Y115-I122 HydrophobicContact CD2-CD1 4.05Å; Y115-I122 HydrophobicContact CE2-CD1 4.19Å; Y115-Y137 AromaticContact CD1-CD1 3.83Å; Y115-Y137 HydrophobicContact CD1-CD1 3.83Å; Y115-Y137 HydrophobicContact CD1-CE1 4.28Å; Y115-Y137 AromaticContact CE1-CD1 3.73Å; Y115-Y137 HydrophobicContact CE1-CD1 3.73Å; Y115-Y137 HydrophobicContact CE1-CG 4.35Å; Y115-Y137 HydrophobicContact CG-CD1 4.3Å; Y115-D138 WeakPolarHBondContact CE1-OD2 3.33Å; Y115-D138 PolarHBondContact OH-OD1 3.43Å; Y115-D138 VanDerWaalsContact OH-OD1 3.14Å; Y115-V141 HydrophobicContact CE1-CB 4.5Å; Y115-V141 HydrophobicContact CE1-CG2 3.57Å; Y115-V141 HydrophobicContact CE2-CG2 4.27Å; Y115-V141 VanDerWaalsContact CZ-CG2 3.42Å; Y115-V141 VanDerWaalsContact OH-CB 3.23Å; Y115-V141 WeakPolarHBondContact OH-CB 3.17Å; Y115-V141 WeakPolarHBondContact OH-CG2 3.29Å
116	G	76.5	Confident	88.5	Confident	30 Å²	30	68.4 Å²	68.4	31%	0.309	36%	0.356	S	S	.	.	G	3₁₀ helix	trans	54.9	-130.6	-177.2	0	0	0	0	0	112.3	D118 S119 D337	G116-D118 PolarHBondContact O-N 3.44Å; G116-S119 WeakPolarHBondContact O-CB 3.29Å; G116-S119 PolarHBondContact O-N 3.34Å; G116-S119 PolarHBondContact O-OG 3.1Å; G116-D337 WeakPolarHBondContact CA-OD2 3.43Å
117	E	71.8	Confident	88.3	Confident	151 Å²	151	72.6 Å²	72.6	71%	0.706	38%	0.378	S	S	*	.	G	3₁₀ helix	trans	-61.9	-28.6	179.8	-63.5	-168	165.5	0	0	113.6	Y115 S119 K120	Y115-E117 PolarHBondContact O-N 3.08Å; E117-S119 PolarHBondContact O-N 3.33Å; E117-K120 PolarHBondContact O-N 3.5Å
118	D	76.1	Confident	88.2	Confident	55 Å²	55	77.6 Å²	77.6	29%	0.294	40%	0.4	S	S	.	.	G	3₁₀ helix	trans	-70.7	-13.5	-177.9	-76.8	-27.2	0	0	0	113.3	Y115 G116 K120 L121 Y137	Y115-D118 WeakPolarHBondContact O-CB 3.47Å; Y115-D118 PolarHBondContact O-N 2.92Å; Y115-D118 VanDerWaalsContact O-N 3.08Å; G116-D118 PolarHBondContact O-N 3.44Å; D118-K120 PolarHBondContact O-N 2.98Å; D118-L121 WeakPolarHBondContact O-CB 3.48Å; D118-L121 PolarHBondContact O-N 3.16Å; D118-Y137 HydrophobicContact CB-CE2 4.41Å; D118-Y137 PolarHBondContact OD2-OH 3.02Å
119	S	78.3	Confident	88.1	Confident	35 Å²	35	77.7 Å²	77.7	25%	0.245	42%	0.423	C	S	.	.	G	3₁₀ helix	trans	-56.1	-25.7	176.6	-52.4	0	0	0	0	112.7	G116 E117 L121 I122	G116-S119 WeakPolarHBondContact O-CB 3.29Å; G116-S119 PolarHBondContact O-N 3.34Å; G116-S119 PolarHBondContact O-OG 3.1Å; E117-S119 PolarHBondContact O-N 3.33Å; S119-L121 PolarHBondContact O-N 3.3Å; S119-I122 WeakPolarHBondContact O-CG1 3.24Å; S119-I122 PolarHBondContact O-N 3.43Å
120	K	83.4	Confident	88.1	Confident	176 Å²	176	72.3 Å²	72.3	77%	0.765	41%	0.413	S	S	*	.	G	3₁₀ helix	trans	-68.5	-14.8	177.7	-62.4	177.1	-174.6	168.9	0	113.3	E117 D118	E117-K120 PolarHBondContact O-N 3.5Å; D118-K120 PolarHBondContact O-N 2.98Å
121	L	88.4	Confident	88.2	Confident	45 Å²	45	78.2 Å²	78.2	24%	0.236	44%	0.44	C	S	.	.	G	3₁₀ helix	trans	-95.8	7.4	-175.5	-56.3	178.8	0	0	0	112.9	D118 S119 Y137 R166	D118-L121 WeakPolarHBondContact O-CB 3.48Å; D118-L121 PolarHBondContact O-N 3.16Å; S119-L121 PolarHBondContact O-N 3.3Å; L121-Y137 HydrophobicContact CB-CE2 4.02Å; L121-R166 HydrophobicContact CB-CB 4.5Å; L121-R166 VanDerWaalsContact O-CB 3.24Å; L121-R166 WeakPolarHBondContact O-CB 3.3Å; L121-R166 WeakPolarHBondContact O-CG 3.45Å; L121-R166 PolarHBondContact O-N 2.86Å
122	I	94	Very high	88.5	Confident	13 Å²	13	82.8 Å²	82.8	7%	0.067	46%	0.463	C	S	.	.			trans	-76.4	142.7	179.6	-63.3	172.2	0	0	0	110.9	L111 Y115 S119 Y137 R166	L111-I122 HydrophobicContact CB-CD1 3.97Å; L111-I122 HydrophobicContact CD1-CG2 4.3Å; Y115-I122 HydrophobicContact CD2-CD1 4.05Å; Y115-I122 HydrophobicContact CE2-CD1 4.19Å; S119-I122 WeakPolarHBondContact O-CG1 3.24Å; S119-I122 PolarHBondContact O-N 3.43Å; I122-Y137 HydrophobicContact CG1-CD2 4.1Å; I122-R166 WeakPolarHBondContact O-CD 3.45Å
123	Y	96.5	Very high	89	Confident	63 Å²	63	80.6 Å²	80.6	25%	0.247	45%	0.449	C	S	.	.			trans	-86.8	115.1	171	-85.5	-82.4	0	0	0	110.4	S134 L135 R166 R177	Y123-S134 CarbonylContact O-C 3.53Å; Y123-S134 VanDerWaalsContact O-CA 3.27Å; Y123-S134 WeakPolarHBondContact O-CA 3.26Å; Y123-L135 HydrophobicContact CG-CD1 4.23Å; Y123-L135 PolarHBondContact O-N 3.06Å; Y123-R166 HydrophobicContact CD1-CG 3.77Å; Y123-R166 HydrophobicContact CD2-CG 3.35Å; Y123-R166 HydrophobicContact CE1-CG 3.73Å; Y123-R166 HydrophobicContact CE2-CB 4.19Å; Y123-R166 HydrophobicContact CE2-CG 3.28Å; Y123-R166 HydrophobicContact CG-CG 3.6Å; Y123-R166 VanDerWaalsContact CZ-CG 3.5Å; Y123-R177 HydrophobicContact CE2-CB 4.41Å; Y123-R177 WeakPolarHBondContact OH-CD 3.36Å; Y123-R177 PolarHBondContact OH-NH1 2.97Å
124	D	96.9	Very high	89.8	Confident	81 Å²	81	77.7 Å²	77.7	43%	0.433	42%	0.418	S	S	.	.	B	Isolated β-bridge	trans	-90.7	142.1	173	-69.9	-17.7	0	0	0	111	K108 S134	K108-D124 IonicContact NZ-OD1 3.75Å; K108-D124 IonicContact NZ-OD2 3.59Å; K108-D124 PolarHBondContact NZ-OD2 2.85Å; D124-S134 PolarHBondContact OD1-OG 3.43Å
125	L	97.4	Very high	90.6	Very high	70 Å²	70	77.6 Å²	77.6	37%	0.366	42%	0.419	S	S	.	.	P	Polyproline II helix	trans	-79.8	154.3	169.7	-82.4	66	0	0	0	109.7	F105 L133 L135	F105-L125 HydrophobicContact CD1-CD2 4.29Å; L125-L133 HydrophobicContact CB-CB 4.23Å; L125-L133 HydrophobicContact CD1-CB 4.49Å; L125-L133 HydrophobicContact CD2-CB 4.05Å; L125-L133 HydrophobicContact CD2-CD1 4.23Å; L125-L133 HydrophobicContact CG-CB 4.48Å; L125-L133 PolarHBondContact N-O 3.43Å; L125-L135 HydrophobicContact CD1-CD2 3.93Å; L125-L135 HydrophobicContact CD1-CG 4.02Å
126	K	96.9	Very high	91.6	Very high	178 Å²	178	78.1 Å²	78.1	77%	0.774	42%	0.421	S	S	*	.	P	Polyproline II helix	trans	-66.6	136.5	175.5	-172.7	-177	175.9	-177.3	0	109.3	Q128	K126-Q128 PolarHBondContact O-N 3.48Å
127	D	95.9	Very high	92.4	Very high	100 Å²	100	77 Å²	77	54%	0.535	41%	0.408	S	S	.	.	P	Polyproline II helix	trans	-65.4	125.3	168.7	-175.9	2.1	0	0	0	110.3	G129 L132	D127-G129 PolarHBondContact OD1-N 3.26Å; D127-L132 HydrophobicContact CB-CD2 4.13Å
128	Q	96.2	Very high	93.5	Very high	180 Å²	180	70 Å²	70	84%	0.841	38%	0.375	S	S	*	.			trans	-124.3	20.8	179.3	-62.1	-178	-65.7	0	0	111.8	K126	K126-Q128 PolarHBondContact O-N 3.48Å
129	G	92.7	Very high	94.6	Very high	81 Å²	81	67.3 Å²	67.3	84%	0.835	36%	0.361	S	S	*	.	S	Bend	trans	91.6	18.1	178.6	0	0	0	0	0	114.7	D127	D127-G129 PolarHBondContact OD1-N 3.26Å
130	G	94.9	Very high	95.5	Very high	57 Å²	57	66 Å²	66	59%	0.588	35%	0.351	S	S	*	.	S	Bend	trans	-130.7	-148.4	-177.8	0	0	0	0	0	112.6
131	E	97.6	Very high	96.1	Very high	144 Å²	144	57.7 Å²	57.7	67%	0.673	32%	0.315	S	S	*	.			trans	-67.3	142.7	177.7	-62.3	175.1	123.4	0	0	111.5	L107 L133	L107-E131 HydrophobicContact CD2-CB 3.84Å; L107-E131 HydrophobicContact CD2-CG 4.18Å; E131-L133 HydrophobicContact CB-CD2 4.22Å; E131-L133 PolarHBondContact O-N 2.99Å
132	L	97.9	Very high	96.6	Very high	96 Å²	96	55.5 Å²	55.5	50%	0.503	30%	0.304	S	S	.	.			trans	-79.6	119.3	172.9	-63.4	179.9	0	0	0	109.5	K108 D127	K108-L132 HydrophobicContact CB-CB 4.13Å; K108-L132 WeakPolarHBondContact CB-O 3.46Å; K108-L132 HydrophobicContact CD-CB 4.5Å; K108-L132 PolarHBondContact N-O 3.31Å; D127-L132 HydrophobicContact CB-CD2 4.13Å
133	L	98.2	Very high	96.8	Very high	37 Å²	37	55 Å²	55	19%	0.194	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	149.8	-173.5	-58.2	176.1	0	0	0	111.5	F105 E106 L107 L125 E131	F105-L133 HydrophobicContact CB-CB 4.43Å; F105-L133 HydrophobicContact CD2-CD1 3.85Å; F105-L133 HydrophobicContact CD2-CD2 4.33Å; F105-L133 HydrophobicContact CD2-CG 4.5Å; F105-L133 HydrophobicContact CE2-CD1 4.03Å; F105-L133 HydrophobicContact CG-CD1 4.4Å; E106-L133 WeakPolarHBondContact O-CA 3.42Å; L107-L133 HydrophobicContact CD2-CD2 3.95Å; L125-L133 HydrophobicContact CB-CB 4.23Å; L125-L133 HydrophobicContact CD1-CB 4.49Å; L125-L133 HydrophobicContact CD2-CB 4.05Å; L125-L133 HydrophobicContact CD2-CD1 4.23Å; L125-L133 HydrophobicContact CG-CB 4.48Å; L125-L133 PolarHBondContact N-O 3.43Å; E131-L133 HydrophobicContact CB-CD2 4.22Å; E131-L133 PolarHBondContact O-N 2.99Å
134	S	98.1	Very high	96.9	Very high	1 Å²	1	52 Å²	52	1%	0.007	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	142.9	176	-59	0	0	0	0	110.1	F105 E106 K108 Y123 D124	F105-S134 CarbonylContact C-O 3.53Å; F105-S134 WeakPolarHBondContact CA-O 3.42Å; F105-S134 WeakPolarHBondContact CB-O 3.34Å; E106-S134 PolarHBondContact N-O 3.25Å; E106-S134 PolarHBondContact O-N 2.89Å; K108-S134 WeakPolarHBondContact CB-OG 3.48Å; K108-S134 WeakPolarHBondContact CG-OG 3.26Å; Y123-S134 CarbonylContact O-C 3.53Å; Y123-S134 VanDerWaalsContact O-CA 3.27Å; Y123-S134 WeakPolarHBondContact O-CA 3.26Å; D124-S134 PolarHBondContact OD1-OG 3.43Å
135	L	98.3	Very high	96.9	Very high	34 Å²	34	49.7 Å²	49.7	18%	0.178	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	141.9	174	-60	179.6	0	0	0	110.2	V104 F105 L111 Y123 L125 Y137 Y164	V104-L135 HydrophobicContact CG1-CD2 4.49Å; V104-L135 HydrophobicContact CG2-CD2 4.42Å; F105-L135 HydrophobicContact CB-CD2 4.31Å; L111-L135 WeakPolarHBondContact CD1-O 3.22Å; Y123-L135 HydrophobicContact CG-CD1 4.23Å; Y123-L135 PolarHBondContact O-N 3.06Å; L125-L135 HydrophobicContact CD1-CD2 3.93Å; L125-L135 HydrophobicContact CD1-CG 4.02Å; L135-Y137 PolarHBondContact O-N 2.89Å; L135-Y164 HydrophobicContact CB-CD2 3.97Å; L135-Y164 HydrophobicContact CB-CG 4Å; L135-Y164 HydrophobicContact CD1-CD1 3.82Å; L135-Y164 HydrophobicContact CD1-CD2 4.15Å; L135-Y164 HydrophobicContact CD1-CE1 4.4Å; L135-Y164 HydrophobicContact CD1-CG 3.68Å; L135-Y164 HydrophobicContact CG-CG 4.42Å
136	R	97.3	Very high	97	Very high	14 Å²	14	49.2 Å²	49.2	5%	0.053	27%	0.268	C	S	.	.			trans	-61.5	130.7	178.8	68	-172.3	176.5	-155.1	-7.1	111.9	D101 T102 P103 V104 P142 K162 V163 Y164	D101-R136 IonicContact OD1-NH1 3.42Å; T102-R136 PolarHBondContact O-NH1 3.42Å; T102-R136 PolarHBondContact OG1-NH1 3.26Å; P103-R136 PolarHBondContact O-NH1 3.29Å; V104-R136 PolarHBondContact O-N 3.49Å; R136-P142 HydrophobicContact CB-CG 4.06Å; R136-K162 PolarHBondContact NE-O 3.23Å; R136-K162 PolarHBondContact NH2-O 3.38Å; R136-V163 HydrophobicContact CG-CG1 4.41Å; R136-Y164 PolarHBondContact O-N 3.1Å
137	Y	94.3	Very high	97	Very high	7 Å²	7	40.8 Å²	40.8	3%	0.027	23%	0.232	C	C	.	.	S	Bend	trans	-83.1	-34.2	179.1	-176.9	-86.3	0	0	0	112.4	Y115 D118 L121 I122 L135 R165	Y115-Y137 AromaticContact CD1-CD1 3.83Å; Y115-Y137 HydrophobicContact CD1-CD1 3.83Å; Y115-Y137 HydrophobicContact CD1-CE1 4.28Å; Y115-Y137 AromaticContact CE1-CD1 3.73Å; Y115-Y137 HydrophobicContact CE1-CD1 3.73Å; Y115-Y137 HydrophobicContact CE1-CG 4.35Å; Y115-Y137 HydrophobicContact CG-CD1 4.3Å; D118-Y137 HydrophobicContact CB-CE2 4.41Å; D118-Y137 PolarHBondContact OD2-OH 3.02Å; L121-Y137 HydrophobicContact CB-CE2 4.02Å; I122-Y137 HydrophobicContact CG1-CD2 4.1Å; L135-Y137 PolarHBondContact O-N 2.89Å; Y137-R165 HydrophobicContact CD2-CB 4.41Å; Y137-R165 HydrophobicContact CD2-CG 3.75Å; Y137-R165 HydrophobicContact CE1-CG 4.46Å; Y137-R165 HydrophobicContact CE2-CB 4.04Å; Y137-R165 HydrophobicContact CE2-CG 3.57Å; Y137-R165 HydrophobicContact CG-CG 4.28Å; Y137-R165 VanDerWaalsContact CZ-CD 3.43Å; Y137-R165 PolarHBondContact O-NE 2.82Å; Y137-R165 PolarHBondContact O-NH2 3.38Å
138	D	95.1	Very high	97.1	Very high	2 Å²	2	36.6 Å²	36.6	1%	0.011	21%	0.211	C	C	.	.			trans	-141.4	-172.9	173.1	75.2	8.6	0	0	0	111.3	Y115 T140 V141 P142 Q181 Y338	Y115-D138 WeakPolarHBondContact CE1-OD2 3.33Å; Y115-D138 PolarHBondContact OH-OD1 3.43Å; Y115-D138 VanDerWaalsContact OH-OD1 3.14Å; D138-T140 PolarHBondContact OD1-N 3.21Å; D138-T140 VanDerWaalsContact OD1-N 3.09Å; D138-V141 PolarHBondContact OD1-N 3.34Å; D138-P142 WeakPolarHBondContact O-CD 3.39Å; D138-P142 WeakPolarHBondContact O-CG 2.94Å; D138-Q181 VanDerWaalsContact CA-OE1 3.24Å; D138-Y338 PolarHBondContact OD2-OH 3.24Å
139	L	97.8	Very high	97.2	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	20%	0.201	C	C	.	.	S	Bend	trans	-103.1	-13.2	172.8	-49.9	178.5	0	0	0	113	F143 H159 A161 V163 Q181 D183	L139-F143 WeakPolarHBondContact O-CB 3.48Å; L139-F143 PolarHBondContact O-N 2.82Å; L139-H159 HydrophobicContact CD1-CB 4.22Å; L139-H159 WeakPolarHBondContact CD1-O 3.4Å; L139-A161 HydrophobicContact CD1-CB 4.22Å; L139-A161 HydrophobicContact CD2-CB 3.9Å; L139-V163 HydrophobicContact CD2-CG1 3.57Å; L139-V163 HydrophobicContact CG-CG1 3.91Å; L139-Q181 HydrophobicContact CD1-CB 3.82Å; L139-Q181 HydrophobicContact CG-CB 4.18Å; L139-D183 HydrophobicContact CB-CB 4.29Å; L139-D183 HydrophobicContact CD1-CB 4.17Å
140	T	97.1	Very high	97.5	Very high	8 Å²	8	33.9 Å²	33.9	5%	0.049	18%	0.181	C	C	.	.	H	α-helix	trans	-73.3	-43.9	-177.1	-43.1	0	0	0	0	112.6	D138 F143 A144 Y338 Y382 L385	D138-T140 PolarHBondContact OD1-N 3.21Å; D138-T140 VanDerWaalsContact OD1-N 3.09Å; T140-F143 WeakPolarHBondContact O-CB 3.35Å; T140-F143 PolarHBondContact O-N 2.88Å; T140-A144 PolarHBondContact O-N 2.96Å; T140-Y338 HydrophobicContact CG2-CE2 4.38Å; T140-Y338 PolarHBondContact OG1-OH 3.4Å; T140-Y382 HydrophobicContact CG2-CD1 4.48Å; T140-Y382 HydrophobicContact CG2-CD2 4.18Å; T140-Y382 HydrophobicContact CG2-CE1 3.94Å; T140-Y382 HydrophobicContact CG2-CE2 3.62Å; T140-Y382 VanDerWaalsContact CG2-CZ 3.49Å; T140-L385 HydrophobicContact CG2-CD2 3.91Å
141	V	96.6	Very high	97.6	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-67.9	-45	176.9	176.4	0	0	0	0	111.8	T110 L111 K114 Y115 D138 F143 A144 R145 L385 F389	T110-V141 HydrophobicContact CG2-CG1 4.45Å; L111-V141 HydrophobicContact CD2-CB 4.46Å; L111-V141 HydrophobicContact CD2-CG1 3.94Å; K114-V141 HydrophobicContact CB-CG2 4.05Å; K114-V141 HydrophobicContact CG-CG1 4.24Å; Y115-V141 HydrophobicContact CE1-CB 4.5Å; Y115-V141 HydrophobicContact CE1-CG2 3.57Å; Y115-V141 HydrophobicContact CE2-CG2 4.27Å; Y115-V141 VanDerWaalsContact CZ-CG2 3.42Å; Y115-V141 VanDerWaalsContact OH-CB 3.23Å; Y115-V141 WeakPolarHBondContact OH-CB 3.17Å; Y115-V141 WeakPolarHBondContact OH-CG2 3.29Å; D138-V141 PolarHBondContact OD1-N 3.34Å; V141-F143 PolarHBondContact O-N 3.18Å; V141-A144 PolarHBondContact O-N 3.43Å; V141-R145 PolarHBondContact O-N 2.78Å; V141-L385 HydrophobicContact CG2-CD2 4.35Å; V141-F389 HydrophobicContact CG1-CE2 4.08Å; V141-F389 HydrophobicContact CG1-CZ 3.69Å
142	P	98.4	Very high	97.6	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-54.2	-36.3	168.1	-28.7	36.4	0	0	0	113.3	T102 E106 R136 D138 R145 Y146	T102-P142 HydrophobicContact CG2-CB 4.09Å; E106-P142 HydrophobicContact CG-CG 4.36Å; R136-P142 HydrophobicContact CB-CG 4.06Å; D138-P142 WeakPolarHBondContact O-CD 3.39Å; D138-P142 WeakPolarHBondContact O-CG 2.94Å; P142-R145 PolarHBondContact O-NH1 3.44Å; P142-R145 PolarHBondContact O-NH2 3.14Å; P142-Y146 WeakPolarHBondContact O-CB 2.96Å; P142-Y146 PolarHBondContact O-N 2.69Å
143	F	98.6	Very high	97.6	Very high	1 Å²	1	32.5 Å²	32.5	0%	0.004	16%	0.159	C	C	.	.	H	α-helix	trans	-68.9	-44.6	175.9	176.6	-128.6	0	0	0	112.6	I100 L139 T140 V141 R145 Y146 L147 I155 R157 D185 A187	I100-F143 HydrophobicContact CD1-CD2 3.85Å; I100-F143 HydrophobicContact CD1-CE2 4.4Å; L139-F143 WeakPolarHBondContact O-CB 3.48Å; L139-F143 PolarHBondContact O-N 2.82Å; T140-F143 WeakPolarHBondContact O-CB 3.35Å; T140-F143 PolarHBondContact O-N 2.88Å; V141-F143 PolarHBondContact O-N 3.18Å; F143-R145 VanDerWaalsContact C-N 3.32Å; F143-R145 PolarHBondContact O-N 3.28Å; F143-Y146 HydrophobicContact CD2-CD1 4.48Å; F143-Y146 WeakPolarHBondContact O-CA 3.49Å; F143-Y146 VanDerWaalsContact O-CB 3.3Å; F143-Y146 WeakPolarHBondContact O-CB 3.32Å; F143-Y146 PolarHBondContact O-N 3.25Å; F143-L147 HydrophobicContact CD1-CD1 4.28Å; F143-L147 HydrophobicContact CD2-CD1 4.46Å; F143-L147 HydrophobicContact CD2-CG 4.15Å; F143-L147 HydrophobicContact CE1-CD1 3.8Å; F143-L147 HydrophobicContact CE1-CG 4.45Å; F143-L147 HydrophobicContact CE2-CD1 3.99Å; F143-L147 HydrophobicContact CE2-CD2 3.69Å; F143-L147 HydrophobicContact CE2-CG 3.73Å; F143-L147 HydrophobicContact CZ-CD1 3.65Å; F143-L147 HydrophobicContact CZ-CD2 3.89Å; F143-L147 HydrophobicContact CZ-CG 3.92Å; F143-L147 WeakPolarHBondContact O-CG 3.23Å; F143-L147 PolarHBondContact O-N 2.9Å; F143-I155 HydrophobicContact CE2-CG2 3.75Å; F143-I155 HydrophobicContact CZ-CG2 3.65Å; F143-R157 HydrophobicContact CD2-CG 4.09Å; F143-R157 VanDerWaalsContact CD2-NE 3.27Å; F143-R157 HydrophobicContact CE1-CG 4.43Å; F143-R157 HydrophobicContact CE2-CG 3.51Å; F143-R157 VanDerWaalsContact CG-NE 3.29Å; F143-R157 VanDerWaalsContact CG-NH2 3.33Å; F143-R157 HydrophobicContact CZ-CG 3.69Å; F143-D185 HydrophobicContact CD1-CB 4.11Å; F143-D185 HydrophobicContact CE1-CB 3.67Å; F143-D185 HydrophobicContact CZ-CB 4.44Å; F143-A187 HydrophobicContact CE1-CB 4.26Å; F143-A187 HydrophobicContact CZ-CB 3.97Å
144	A	97.9	Very high	97.6	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-60.1	-41.9	176	0	0	0	0	0	112.3	T140 V141 Y146 L147 A148 L385 V386 F389	T140-A144 PolarHBondContact O-N 2.96Å; V141-A144 PolarHBondContact O-N 3.43Å; A144-Y146 VanDerWaalsContact C-N 3.28Å; A144-Y146 PolarHBondContact O-N 3.49Å; A144-L147 PolarHBondContact O-N 3.08Å; A144-A148 PolarHBondContact O-N 2.83Å; A144-A148 VanDerWaalsContact O-N 3.1Å; A144-L385 HydrophobicContact CB-CB 4.4Å; A144-L385 HydrophobicContact CB-CD2 3.87Å; A144-L385 HydrophobicContact CB-CG 3.68Å; A144-V386 HydrophobicContact CB-CG2 4.12Å; A144-F389 HydrophobicContact CB-CD2 3.86Å; A144-F389 HydrophobicContact CB-CE2 3.88Å
145	R	98.1	Very high	97.6	Very high	33 Å²	33	36.3 Å²	36.3	13%	0.125	18%	0.179	C	C	.	.	H	α-helix	trans	-61.4	-36.1	171.8	-175.5	-91.1	-52.4	99.6	8.3	111.6	E106 T110 V141 P142 F143 M149 F389	E106-R145 VanDerWaalsContact CD-NH2 3.31Å; E106-R145 IonicContact OE1-CZ 3.73Å; E106-R145 IonicContact OE1-NE 2.82Å; E106-R145 IonicContact OE1-NH2 3.29Å; E106-R145 PolarHBondContact OE1-NH2 2.81Å; E106-R145 IonicContact OE2-CZ 2.81Å; E106-R145 IonicContact OE2-NE 3.51Å; E106-R145 PolarHBondContact OE2-NE 2.8Å; E106-R145 IonicContact OE2-NH2 2.84Å; E106-R145 PolarHBondContact OE2-NH2 2.95Å; T110-R145 HydrophobicContact CG2-CB 4.08Å; T110-R145 HydrophobicContact CG2-CG 3.89Å; V141-R145 PolarHBondContact O-N 2.78Å; P142-R145 PolarHBondContact O-NH1 3.44Å; P142-R145 PolarHBondContact O-NH2 3.14Å; F143-R145 VanDerWaalsContact C-N 3.32Å; F143-R145 PolarHBondContact O-N 3.28Å; R145-M149 WeakPolarHBondContact O-CB 3.34Å; R145-M149 PolarHBondContact O-N 3.27Å; R145-F389 HydrophobicContact CB-CD1 4.4Å; R145-F389 HydrophobicContact CB-CE1 4.41Å; R145-F389 HydrophobicContact CB-CG 4.49Å; R145-F389 HydrophobicContact CB-CZ 4.5Å
146	Y	98.6	Very high	97.6	Very high	61 Å²	61	37.3 Å²	37.3	24%	0.239	18%	0.182	C	C	.	.	H	α-helix	trans	-67.4	-45.6	-179.5	176.5	-94.4	0	0	0	110.8	I100 P142 F143 A144 N150 I152 I155	I100-Y146 HydrophobicContact CD1-CD1 4.16Å; I100-Y146 HydrophobicContact CD1-CE1 4.42Å; I100-Y146 HydrophobicContact CD1-CG 4.33Å; I100-Y146 HydrophobicContact CG2-CE1 4.33Å; P142-Y146 WeakPolarHBondContact O-CB 2.96Å; P142-Y146 PolarHBondContact O-N 2.69Å; F143-Y146 HydrophobicContact CD2-CD1 4.48Å; F143-Y146 WeakPolarHBondContact O-CA 3.49Å; F143-Y146 VanDerWaalsContact O-CB 3.3Å; F143-Y146 WeakPolarHBondContact O-CB 3.32Å; F143-Y146 PolarHBondContact O-N 3.25Å; A144-Y146 VanDerWaalsContact C-N 3.28Å; A144-Y146 PolarHBondContact O-N 3.49Å; Y146-N150 WeakPolarHBondContact CD2-ND2 3.23Å; Y146-N150 WeakPolarHBondContact CE2-ND2 3.48Å; Y146-N150 WeakPolarHBondContact O-CB 3.34Å; Y146-N150 PolarHBondContact O-N 2.87Å; Y146-N150 VanDerWaalsContact O-N 3.1Å; Y146-N150 PolarHBondContact O-ND2 3.13Å; Y146-I152 HydrophobicContact CD1-CD1 4.22Å; Y146-I152 HydrophobicContact CE1-CD1 3.52Å; Y146-I155 HydrophobicContact CE1-CD1 4.48Å
147	L	98.5	Very high	97.7	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.005	18%	0.18	C	C	.	.	H	α-helix	trans	-59.6	-51.4	176.3	-67.1	175.6	0	0	0	111.5	F143 A144 N150 K151 I152 I155 A187 V386 V396	F143-L147 HydrophobicContact CD1-CD1 4.28Å; F143-L147 HydrophobicContact CD2-CD1 4.46Å; F143-L147 HydrophobicContact CD2-CG 4.15Å; F143-L147 HydrophobicContact CE1-CD1 3.8Å; F143-L147 HydrophobicContact CE1-CG 4.45Å; F143-L147 HydrophobicContact CE2-CD1 3.99Å; F143-L147 HydrophobicContact CE2-CD2 3.69Å; F143-L147 HydrophobicContact CE2-CG 3.73Å; F143-L147 HydrophobicContact CZ-CD1 3.65Å; F143-L147 HydrophobicContact CZ-CD2 3.89Å; F143-L147 HydrophobicContact CZ-CG 3.92Å; F143-L147 WeakPolarHBondContact O-CG 3.23Å; F143-L147 PolarHBondContact O-N 2.9Å; A144-L147 PolarHBondContact O-N 3.08Å; L147-N150 PolarHBondContact O-N 2.86Å; L147-K151 WeakPolarHBondContact O-CA 3.5Å; L147-K151 PolarHBondContact O-N 3.03Å; L147-I152 HydrophobicContact CD2-CB 3.89Å; L147-I152 HydrophobicContact CD2-CG2 3.73Å; L147-I152 PolarHBondContact O-N 3.05Å; L147-I155 HydrophobicContact CD2-CG2 3.42Å; L147-I155 VanDerWaalsContact CD2-CG2 3.42Å; L147-A187 HydrophobicContact CD1-CB 3.78Å; L147-A187 HydrophobicContact CD2-CB 4.33Å; L147-V386 HydrophobicContact CB-CG1 3.96Å; L147-V386 HydrophobicContact CB-CG2 4.44Å; L147-V386 HydrophobicContact CD1-CG2 3.62Å; L147-V396 HydrophobicContact CD1-CG1 4.49Å
148	A	97.9	Very high	97.9	Very high	12 Å²	12	37.3 Å²	37.3	10%	0.099	18%	0.182	C	C	.	.	H	α-helix	trans	-62.9	-47.9	-178	0	0	0	0	0	112.1	A144 N150 K151 V386 F389	A144-A148 PolarHBondContact O-N 2.83Å; A144-A148 VanDerWaalsContact O-N 3.1Å; A148-N150 VanDerWaalsContact C-N 3.34Å; A148-N150 PolarHBondContact O-N 2.98Å; A148-K151 PolarHBondContact O-N 3.33Å; A148-V386 HydrophobicContact CB-CG1 4.35Å; A148-F389 HydrophobicContact CB-CB 3.48Å; A148-F389 VanDerWaalsContact CB-CB 3.48Å
149	M	97.9	Very high	98.1	Very high	127 Å²	127	37.3 Å²	37.3	63%	0.626	18%	0.183	S	C	*	.	H	α-helix	trans	-60.7	-42.3	-179.3	-174.7	-180	76.6	0	0	112.2	R145 K151	R145-M149 WeakPolarHBondContact O-CB 3.34Å; R145-M149 PolarHBondContact O-N 3.27Å; M149-K151 VanDerWaalsContact C-N 3.34Å
150	N	97.9	Very high	98.1	Very high	77 Å²	77	39.2 Å²	39.2	41%	0.412	19%	0.192	S	C	.	.	H	α-helix	trans	-89.1	0.8	-179.6	-65	-73.2	0	0	0	113.4	Y146 L147 A148 I152	Y146-N150 WeakPolarHBondContact CD2-ND2 3.23Å; Y146-N150 WeakPolarHBondContact CE2-ND2 3.48Å; Y146-N150 WeakPolarHBondContact O-CB 3.34Å; Y146-N150 PolarHBondContact O-N 2.87Å; Y146-N150 VanDerWaalsContact O-N 3.1Å; Y146-N150 PolarHBondContact O-ND2 3.13Å; L147-N150 PolarHBondContact O-N 2.86Å; A148-N150 VanDerWaalsContact C-N 3.34Å; A148-N150 PolarHBondContact O-N 2.98Å; N150-I152 HydrophobicContact CB-CD1 3.67Å; N150-I152 HydrophobicContact CB-CG1 3.77Å; N150-I152 PolarHBondContact O-N 3.25Å
151	K	97.3	Very high	98.2	Very high	158 Å²	158	39.1 Å²	39.1	69%	0.687	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.6	31.7	-177.1	-55.3	173.5	-178.2	170.3	0	113.3	L147 A148 M149	L147-K151 WeakPolarHBondContact O-CA 3.5Å; L147-K151 PolarHBondContact O-N 3.03Å; A148-K151 PolarHBondContact O-N 3.33Å; M149-K151 VanDerWaalsContact C-N 3.34Å
152	I	97.9	Very high	98.2	Very high	42 Å²	42	41.6 Å²	41.6	22%	0.215	20%	0.203	C	C	.	.			trans	-79.8	126.9	179	-63	168.6	0	0	0	108.7	Y146 L147 N150 N154 I155	Y146-I152 HydrophobicContact CD1-CD1 4.22Å; Y146-I152 HydrophobicContact CE1-CD1 3.52Å; L147-I152 HydrophobicContact CD2-CB 3.89Å; L147-I152 HydrophobicContact CD2-CG2 3.73Å; L147-I152 PolarHBondContact O-N 3.05Å; N150-I152 HydrophobicContact CB-CD1 3.67Å; N150-I152 HydrophobicContact CB-CG1 3.77Å; N150-I152 PolarHBondContact O-N 3.25Å; I152-N154 VanDerWaalsContact CG2-O 3.3Å; I152-N154 WeakPolarHBondContact CG2-O 3.39Å; I152-I155 HydrophobicContact CG2-CB 4.04Å; I152-I155 HydrophobicContact CG2-CG2 4.08Å
153	T	97.6	Very high	98.2	Very high	67 Å²	67	41.6 Å²	41.6	41%	0.411	20%	0.203	S	C	.	.			trans	-102.5	-15.8	179.4	50.7	0	0	0	0	113.3	G188 V396	T153-G188 VanDerWaalsContact O-CA 3.27Å; T153-G188 WeakPolarHBondContact O-CA 3.31Å; T153-V396 WeakPolarHBondContact O-CG1 3.39Å
154	N	98.3	Very high	98.1	Very high	99 Å²	99	43.3 Å²	43.3	53%	0.529	21%	0.21	S	C	.	.			trans	-150.1	131.6	178.6	63	-46.1	0	0	0	110.4	I152 A187	I152-N154 VanDerWaalsContact CG2-O 3.3Å; I152-N154 WeakPolarHBondContact CG2-O 3.39Å; N154-A187 VanDerWaalsContact CA-O 3.23Å; N154-A187 WeakPolarHBondContact CA-O 3.42Å
155	I	98.7	Very high	97.9	Very high	19 Å²	19	45.6 Å²	45.6	10%	0.097	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.5	145.5	172.7	-174.2	176.2	0	0	0	108	I100 F143 Y146 L147 I152 R157 A187	I100-I155 HydrophobicContact CG2-CD1 4.45Å; F143-I155 HydrophobicContact CE2-CG2 3.75Å; F143-I155 HydrophobicContact CZ-CG2 3.65Å; Y146-I155 HydrophobicContact CE1-CD1 4.48Å; L147-I155 HydrophobicContact CD2-CG2 3.42Å; L147-I155 VanDerWaalsContact CD2-CG2 3.42Å; I152-I155 HydrophobicContact CG2-CB 4.04Å; I152-I155 HydrophobicContact CG2-CG2 4.08Å; I155-R157 HydrophobicContact CD1-CB 4.18Å; I155-R157 HydrophobicContact CG1-CB 4.22Å; I155-A187 HydrophobicContact CG2-CB 4.06Å; I155-A187 PolarHBondContact N-O 2.88Å; I155-A187 VanDerWaalsContact N-O 3.08Å; I155-A187 PolarHBondContact O-N 2.94Å
156	K	98.8	Very high	97.6	Very high	55 Å²	55	50 Å²	50	24%	0.239	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	114.7	169.6	-178.2	156	75.5	165.6	0	107.9	H95 A97 E98 F184 D185 I186 E198	H95-K156 WeakPolarHBondContact O-CE 3.25Å; H95-K156 PolarHBondContact O-NZ 2.83Å; A97-K156 WeakPolarHBondContact CA-O 3.44Å; A97-K156 HydrophobicContact CB-CG 4.16Å; E98-K156 PolarHBondContact N-O 3.14Å; K156-F184 HydrophobicContact CD-CE1 4.3Å; K156-F184 HydrophobicContact CD-CZ 3.77Å; K156-F184 HydrophobicContact CG-CE1 4.26Å; K156-F184 HydrophobicContact CG-CE2 4.42Å; K156-F184 HydrophobicContact CG-CZ 3.76Å; K156-D185 WeakPolarHBondContact CA-O 3.43Å; K156-I186 HydrophobicContact CD-CD1 3.96Å; K156-I186 HydrophobicContact CD-CG1 3.73Å; K156-I186 HydrophobicContact CG-CG1 3.95Å; K156-E198 IonicContact NZ-OE1 3.59Å; K156-E198 PolarHBondContact NZ-OE1 3.26Å; K156-E198 IonicContact NZ-OE2 3.86Å; K156-E198 PolarHBondContact NZ-OE2 3.03Å
157	R	98.7	Very high	96.8	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	152.9	-168.2	70.1	94.2	-175.4	112	-6.5	113.6	E98 I100 F143 I155 F184 D185	E98-R157 CarbonylContact O-C 3.49Å; E98-R157 WeakPolarHBondContact O-CA 3.22Å; I100-R157 HydrophobicContact CD1-CG 4.42Å; F143-R157 HydrophobicContact CD2-CG 4.09Å; F143-R157 VanDerWaalsContact CD2-NE 3.27Å; F143-R157 HydrophobicContact CE1-CG 4.43Å; F143-R157 HydrophobicContact CE2-CG 3.51Å; F143-R157 VanDerWaalsContact CG-NE 3.29Å; F143-R157 VanDerWaalsContact CG-NH2 3.33Å; F143-R157 HydrophobicContact CZ-CG 3.69Å; I155-R157 HydrophobicContact CD1-CB 4.18Å; I155-R157 HydrophobicContact CG1-CB 4.22Å; R157-F184 CarbonylContact O-C 3.55Å; R157-F184 WeakPolarHBondContact O-CA 3.47Å; R157-D185 IonicContact CZ-OD2 3.87Å; R157-D185 PolarHBondContact N-O 3.42Å; R157-D185 IonicContact NH1-OD2 3.21Å; R157-D185 PolarHBondContact NH1-OD2 3.24Å; R157-D185 IonicContact NH2-OD2 2.81Å; R157-D185 PolarHBondContact NH2-OD2 2.71Å; R157-D185 PolarHBondContact O-N 3.41Å
158	Y	98.8	Very high	95.9	Very high	21 Å²	21	54 Å²	54	8%	0.082	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	153.6	162.3	75.4	-89.6	0	0	0	111.8	T89 F92 K93 A97 E98 T99 I100 I160 D183	T89-Y158 HydrophobicContact CG2-CE2 4.26Å; F92-Y158 HydrophobicContact CB-CD1 3.78Å; F92-Y158 HydrophobicContact CB-CE1 4.42Å; F92-Y158 HydrophobicContact CB-CG 3.85Å; F92-Y158 HydrophobicContact CD2-CD1 4.38Å; F92-Y158 AromaticContact CD2-CD2 3.74Å; F92-Y158 HydrophobicContact CD2-CD2 3.74Å; F92-Y158 AromaticContact CD2-CG 3.58Å; F92-Y158 HydrophobicContact CD2-CG 3.58Å; F92-Y158 HydrophobicContact CE2-CD2 4.44Å; F92-Y158 HydrophobicContact CE2-CG 4.43Å; F92-Y158 HydrophobicContact CG-CG 4.08Å; K93-Y158 WeakPolarHBondContact CE-OH 3.47Å; K93-Y158 HydrophobicContact CG-CE1 4.25Å; A97-Y158 HydrophobicContact CB-CD1 3.92Å; E98-Y158 WeakPolarHBondContact O-CD1 3.42Å; E98-Y158 PolarHBondContact O-N 3.49Å; T99-Y158 VanDerWaalsContact CB-CZ 3.46Å; T99-Y158 WeakPolarHBondContact OG1-CE2 3.46Å; I100-Y158 PolarHBondContact N-O 3.46Å; Y158-I160 HydrophobicContact CD2-CD1 4.29Å; Y158-I160 HydrophobicContact CD2-CG1 4.21Å; Y158-I160 HydrophobicContact CE2-CD1 4.39Å; Y158-D183 CarbonylContact C-O 3.58Å; Y158-D183 WeakPolarHBondContact CA-O 3.17Å; Y158-D183 WeakPolarHBondContact CB-O 3.3Å
159	H	98.8	Very high	94.9	Very high	3 Å²	3	54.9 Å²	54.9	1%	0.014	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	120.1	175.5	-171.3	-170	0	0	0	109.2	I100 D101 L139 D183	I100-H159 PolarHBondContact O-CD2 3.23Å; I100-H159 VanDerWaalsContact O-CD2 3.27Å; D101-H159 IonicContact OD1-CD2 3.59Å; D101-H159 IonicContact OD1-CE1 2.68Å; D101-H159 IonicContact OD1-NE2 3.17Å; D101-H159 PolarHBondContact OD1-NE2 2.82Å; L139-H159 HydrophobicContact CD1-CB 4.22Å; L139-H159 WeakPolarHBondContact CD1-O 3.4Å; H159-D183 PolarHBondContact N-O 3.28Å; H159-D183 PolarHBondContact O-N 2.69Å
160	I	98.4	Very high	93.8	Very high	40 Å²	40	50.2 Å²	50.2	21%	0.205	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	108.7	178.8	-62.5	174.4	0	0	0	107.8	F85 I88 T89 F92 Y158 Y180 Q181 C182	F85-I160 HydrophobicContact CD1-CD1 4.48Å; F85-I160 HydrophobicContact CD1-CG2 3.69Å; F85-I160 HydrophobicContact CE1-CG2 3.43Å; F85-I160 VanDerWaalsContact CE1-CG2 3.43Å; F85-I160 HydrophobicContact CZ-CG2 4.33Å; I88-I160 HydrophobicContact CG2-CD1 4.29Å; T89-I160 WeakPolarHBondContact OG1-CD1 3.42Å; F92-I160 HydrophobicContact CE2-CD1 4.4Å; F92-I160 HydrophobicContact CE2-CG1 4.4Å; Y158-I160 HydrophobicContact CD2-CD1 4.29Å; Y158-I160 HydrophobicContact CD2-CG1 4.21Å; Y158-I160 HydrophobicContact CE2-CD1 4.39Å; I160-Y180 HydrophobicContact CG2-CD1 4.23Å; I160-Q181 WeakPolarHBondContact CA-O 3.46Å; I160-C182 HydrophobicContact CG1-CB 4.02Å
161	A	98.2	Very high	92.2	Very high	6 Å²	6	51 Å²	51	5%	0.05	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	161.8	-173.8	0	0	0	0	0	112.6	L139 Y180 Q181	L139-A161 HydrophobicContact CD1-CB 4.22Å; L139-A161 HydrophobicContact CD2-CB 3.9Å; A161-Y180 WeakPolarHBondContact O-CA 3.49Å; A161-Q181 PolarHBondContact N-O 3.39Å; A161-Q181 PolarHBondContact O-N 2.96Å
162	K	97.8	Very high	90.6	Very high	51 Å²	51	49 Å²	49	22%	0.222	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	145.3	172.9	-66.6	180	172.6	-167.8	0	111.7	R136 Y164 E178 F179 Y180	R136-K162 PolarHBondContact NE-O 3.23Å; R136-K162 PolarHBondContact NH2-O 3.38Å; K162-Y164 HydrophobicContact CB-CE2 4.28Å; K162-E178 HydrophobicContact CB-CG 4.4Å; K162-E178 HydrophobicContact CD-CG 3.87Å; K162-E178 HydrophobicContact CG-CG 4.45Å; K162-E178 VanDerWaalsContact NZ-CD 3.34Å; K162-E178 IonicContact NZ-OE1 3.24Å; K162-E178 IonicContact NZ-OE2 3.08Å; K162-E178 PolarHBondContact NZ-OE2 3.48Å; K162-F179 CarbonylContact C-O 3.5Å; K162-F179 VanDerWaalsContact CA-O 3.27Å; K162-F179 WeakPolarHBondContact CA-O 3.48Å; K162-Y180 HydrophobicContact CD-CE2 4.18Å; K162-Y180 HydrophobicContact CG-CD1 4.13Å; K162-Y180 HydrophobicContact CG-CD2 3.93Å; K162-Y180 HydrophobicContact CG-CE1 3.86Å; K162-Y180 HydrophobicContact CG-CE2 3.64Å; K162-Y180 HydrophobicContact CG-CG 4.16Å
163	V	97.1	Very high	88.9	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	162	173	-57.8	0	0	0	0	111.1	R136 L139 E178 F179 Q181	R136-V163 HydrophobicContact CG-CG1 4.41Å; L139-V163 HydrophobicContact CD2-CG1 3.57Å; L139-V163 HydrophobicContact CG-CG1 3.91Å; V163-E178 WeakPolarHBondContact O-CA 3.34Å; V163-F179 HydrophobicContact CG2-CD2 3.91Å; V163-F179 HydrophobicContact CG2-CE1 4.3Å; V163-F179 HydrophobicContact CG2-CE2 3.54Å; V163-F179 HydrophobicContact CG2-CG 4.43Å; V163-F179 HydrophobicContact CG2-CZ 3.76Å; V163-F179 PolarHBondContact N-O 2.74Å; V163-F179 PolarHBondContact O-N 2.93Å; V163-Q181 HydrophobicContact CG1-CB 4.41Å; V163-Q181 HydrophobicContact CG1-CG 4.31Å; V163-Q181 HydrophobicContact CG2-CG 3.79Å
164	Y	96.6	Very high	87.5	Confident	38 Å²	38	53.6 Å²	53.6	15%	0.149	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	118.4	-165.6	-60.3	-90.2	0	0	0	111.9	V104 L135 R136 K162 R177 E178	V104-Y164 HydrophobicContact CG2-CD2 4.25Å; V104-Y164 HydrophobicContact CG2-CE2 3.42Å; V104-Y164 VanDerWaalsContact CG2-CE2 3.42Å; L135-Y164 HydrophobicContact CB-CD2 3.97Å; L135-Y164 HydrophobicContact CB-CG 4Å; L135-Y164 HydrophobicContact CD1-CD1 3.82Å; L135-Y164 HydrophobicContact CD1-CD2 4.15Å; L135-Y164 HydrophobicContact CD1-CE1 4.4Å; L135-Y164 HydrophobicContact CD1-CG 3.68Å; L135-Y164 HydrophobicContact CG-CG 4.42Å; R136-Y164 PolarHBondContact O-N 3.1Å; K162-Y164 HydrophobicContact CB-CE2 4.28Å; Y164-R177 CarbonylContact C-O 3.44Å; Y164-R177 VanDerWaalsContact CA-O 3.29Å; Y164-R177 WeakPolarHBondContact CA-O 3.44Å; Y164-E178 HydrophobicContact CD1-CB 4.12Å; Y164-E178 HydrophobicContact CD1-CG 4.18Å; Y164-E178 HydrophobicContact CE1-CB 3.93Å; Y164-E178 HydrophobicContact CE1-CG 3.56Å; Y164-E178 VanDerWaalsContact CE1-OE1 3.28Å; Y164-E178 WeakPolarHBondContact CE1-OE1 3.25Å; Y164-E178 PolarHBondContact OH-OE1 3.5Å
165	R	93.9	Very high	86.5	Confident	48 Å²	48	54.7 Å²	54.7	18%	0.181	26%	0.261	C	S	.	.			trans	-131.9	128.4	-179.9	-53.7	-171.7	-177.7	174.4	6.3	110	Y137 D167 R177 F179	Y137-R165 HydrophobicContact CD2-CB 4.41Å; Y137-R165 HydrophobicContact CD2-CG 3.75Å; Y137-R165 HydrophobicContact CE1-CG 4.46Å; Y137-R165 HydrophobicContact CE2-CB 4.04Å; Y137-R165 HydrophobicContact CE2-CG 3.57Å; Y137-R165 HydrophobicContact CG-CG 4.28Å; Y137-R165 VanDerWaalsContact CZ-CD 3.43Å; Y137-R165 PolarHBondContact O-NE 2.82Å; Y137-R165 PolarHBondContact O-NH2 3.38Å; R165-D167 HydrophobicContact CB-CB 4.44Å; R165-D167 PolarHBondContact O-N 2.97Å; R165-R177 PolarHBondContact N-O 2.57Å; R165-R177 WeakPolarHBondContact O-CA 3.18Å; R165-R177 VanDerWaalsContact O-CB 3.24Å; R165-R177 WeakPolarHBondContact O-CB 3.43Å; R165-R177 VanDerWaalsContact O-CG 3.27Å; R165-R177 WeakPolarHBondContact O-CG 3.46Å; R165-F179 HydrophobicContact CB-CE1 4.37Å; R165-F179 HydrophobicContact CG-CE1 4.06Å; R165-F179 HydrophobicContact CG-CZ 4.16Å
166	R	91.9	Very high	86	Confident	124 Å²	124	54.4 Å²	54.4	47%	0.468	26%	0.259	S	S	.	.			trans	-76.3	33.1	177.2	-65.9	177.1	62.9	-160.3	-3.2	113.1	L121 I122 Y123	L121-R166 HydrophobicContact CB-CB 4.5Å; L121-R166 VanDerWaalsContact O-CB 3.24Å; L121-R166 WeakPolarHBondContact O-CB 3.3Å; L121-R166 WeakPolarHBondContact O-CG 3.45Å; L121-R166 PolarHBondContact O-N 2.86Å; I122-R166 WeakPolarHBondContact O-CD 3.45Å; Y123-R166 HydrophobicContact CD1-CG 3.77Å; Y123-R166 HydrophobicContact CD2-CG 3.35Å; Y123-R166 HydrophobicContact CE1-CG 3.73Å; Y123-R166 HydrophobicContact CE2-CB 4.19Å; Y123-R166 HydrophobicContact CE2-CG 3.28Å; Y123-R166 HydrophobicContact CG-CG 3.6Å; Y123-R166 VanDerWaalsContact CZ-CG 3.5Å
167	D	82.7	Confident	85.7	Confident	25 Å²	25	53.9 Å²	53.9	13%	0.134	26%	0.255	C	S	.	.			trans	-62.7	166	-178.7	-147.6	-26	0	0	0	111.7	R165 P169 R175 R177	R165-D167 HydrophobicContact CB-CB 4.44Å; R165-D167 PolarHBondContact O-N 2.97Å; D167-P169 WeakPolarHBondContact O-CD 3.32Å; D167-R175 IonicContact OD1-CZ 2.82Å; D167-R175 IonicContact OD1-NE 2.69Å; D167-R175 PolarHBondContact OD1-NE 2.87Å; D167-R175 IonicContact OD1-NH1 3.31Å; D167-R175 IonicContact OD1-NH2 3.27Å; D167-R175 PolarHBondContact OD1-NH2 2.77Å; D167-R175 IonicContact OD2-CZ 3.63Å; D167-R175 IonicContact OD2-NE 3.81Å; D167-R175 PolarHBondContact OD2-NE 3.17Å; D167-R175 IonicContact OD2-NH2 2.98Å; D167-R175 PolarHBondContact OD2-NH2 3.41Å; D167-R177 PolarHBondContact O-NE 3.15Å; D167-R177 PolarHBondContact O-NH2 3.15Å
168	N	79.6	Confident	85.6	Confident	121 Å²	121	55.3 Å²	55.3	65%	0.647	26%	0.262	S	S	*	.			trans	-80.1	103.9	169	-76.3	-37.2	0	0	0	108.4	A170	N168-A170 PolarHBondContact O-N 3.17Å
169	P	75.4	Confident	85.4	Confident	31 Å²	31	56 Å²	56	20%	0.201	27%	0.265	C	S	.	.			trans	-68.3	136.7	-171.2	29.2	-34.3	0	0	0	110.4	K68 D167 M171 R175	K68-P169 HydrophobicContact CG-CG 4.21Å; D167-P169 WeakPolarHBondContact O-CD 3.32Å; P169-M171 HydrophobicContact CB-SD 4.4Å; P169-R175 CarbonylContact C-O 3.57Å; P169-R175 VanDerWaalsContact CA-O 3.22Å; P169-R175 WeakPolarHBondContact CA-O 3.46Å; P169-R175 WeakPolarHBondContact CB-O 3.42Å
170	A	75.1	Confident	85.2	Confident	30 Å²	30	58.6 Å²	58.6	25%	0.248	28%	0.275	C	S	.	.	B	Isolated β-bridge	trans	-120.4	86.8	171.2	0	0	0	0	0	107.3	N168 T172 R173 G174 R175	N168-A170 PolarHBondContact O-N 3.17Å; A170-T172 VanDerWaalsContact C-N 3.25Å; A170-T172 PolarHBondContact O-N 3.17Å; A170-R173 HydrophobicContact CB-CB 4.13Å; A170-R173 CarbonylContact O-C 3.51Å; A170-R173 WeakPolarHBondContact O-CA 3.3Å; A170-R173 PolarHBondContact O-N 3.41Å; A170-G174 PolarHBondContact O-N 3.21Å; A170-R175 HydrophobicContact CB-CB 4.09Å; A170-R175 PolarHBondContact N-O 3.45Å; A170-R175 PolarHBondContact O-N 2.76Å; A170-R175 VanDerWaalsContact O-N 3.1Å
171	M	65.1	Low	85.1	Confident	92 Å²	92	57.7 Å²	57.7	45%	0.453	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-59.1	-37	-171.3	-59.7	-62.4	-75.6	0	0	112.3	P169 R173 G174 Y176	P169-M171 HydrophobicContact CB-SD 4.4Å; M171-R173 PolarHBondContact O-N 3.1Å; M171-G174 PolarHBondContact O-N 3.38Å; M171-Y176 HydrophobicContact CE-CD1 3.81Å; M171-Y176 HydrophobicContact CE-CE1 3.5Å; M171-Y176 HydrophobicContact SD-CD1 3.56Å; M171-Y176 VanDerWaalsContact SD-CD1 3.56Å; M171-Y176 HydrophobicContact SD-CE1 3.61Å
172	T	62.9	Low	85.1	Confident	117 Å²	117	57.4 Å²	57.4	72%	0.718	27%	0.268	S	S	*	.	G	3₁₀ helix	trans	-69.4	-16.8	177.2	52.1	0	0	0	0	113.5	A170	A170-T172 VanDerWaalsContact C-N 3.25Å; A170-T172 PolarHBondContact O-N 3.17Å
173	R	63.4	Low	85.2	Confident	185 Å²	185	55 Å²	55	70%	0.698	26%	0.257	S	S	*	.	G	3₁₀ helix	trans	-112.2	10.9	-179.4	-62.8	-173.9	178.2	169.9	-1.1	112.8	A170 M171 R175	A170-R173 HydrophobicContact CB-CB 4.13Å; A170-R173 CarbonylContact O-C 3.51Å; A170-R173 WeakPolarHBondContact O-CA 3.3Å; A170-R173 PolarHBondContact O-N 3.41Å; M171-R173 PolarHBondContact O-N 3.1Å; R173-R175 VanDerWaalsContact C-N 3.31Å; R173-R175 PolarHBondContact O-N 2.8Å
174	G	68	Low	85.2	Confident	20 Å²	20	55 Å²	55	21%	0.206	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	71.2	18.4	178.6	0	0	0	0	0	115	A170 M171 Y176	A170-G174 PolarHBondContact O-N 3.21Å; M171-G174 PolarHBondContact O-N 3.38Å; G174-Y176 VanDerWaalsContact O-CD2 3.29Å; G174-Y176 WeakPolarHBondContact O-CD2 3.39Å; G174-Y176 WeakPolarHBondContact O-CE2 3.34Å
175	R	76.7	Confident	85.3	Confident	123 Å²	123	53.3 Å²	53.3	46%	0.464	25%	0.251	S	S	.	.	B	Isolated β-bridge	trans	-94.9	103.1	178.5	-169.6	-177.9	-168	176	6.7	109.8	D167 P169 A170 R173	D167-R175 IonicContact OD1-CZ 2.82Å; D167-R175 IonicContact OD1-NE 2.69Å; D167-R175 PolarHBondContact OD1-NE 2.87Å; D167-R175 IonicContact OD1-NH1 3.31Å; D167-R175 IonicContact OD1-NH2 3.27Å; D167-R175 PolarHBondContact OD1-NH2 2.77Å; D167-R175 IonicContact OD2-CZ 3.63Å; D167-R175 IonicContact OD2-NE 3.81Å; D167-R175 PolarHBondContact OD2-NE 3.17Å; D167-R175 IonicContact OD2-NH2 2.98Å; D167-R175 PolarHBondContact OD2-NH2 3.41Å; P169-R175 CarbonylContact C-O 3.57Å; P169-R175 VanDerWaalsContact CA-O 3.22Å; P169-R175 WeakPolarHBondContact CA-O 3.46Å; P169-R175 WeakPolarHBondContact CB-O 3.42Å; A170-R175 HydrophobicContact CB-CB 4.09Å; A170-R175 PolarHBondContact N-O 3.45Å; A170-R175 PolarHBondContact O-N 2.76Å; A170-R175 VanDerWaalsContact O-N 3.1Å; R173-R175 VanDerWaalsContact C-N 3.31Å; R173-R175 PolarHBondContact O-N 2.8Å
176	Y	87.4	Confident	85.6	Confident	13 Å²	13	51.4 Å²	51.4	5%	0.051	24%	0.244	C	C	.	.			trans	-109.1	168.5	-177.7	-54.9	-72	0	0	0	111.6	R71 M171 G174 E178 F179 E406	R71-Y176 PolarHBondContact NH1-OH 3.49Å; M171-Y176 HydrophobicContact CE-CD1 3.81Å; M171-Y176 HydrophobicContact CE-CE1 3.5Å; M171-Y176 HydrophobicContact SD-CD1 3.56Å; M171-Y176 VanDerWaalsContact SD-CD1 3.56Å; M171-Y176 HydrophobicContact SD-CE1 3.61Å; G174-Y176 VanDerWaalsContact O-CD2 3.29Å; G174-Y176 WeakPolarHBondContact O-CD2 3.39Å; G174-Y176 WeakPolarHBondContact O-CE2 3.34Å; Y176-E178 WeakPolarHBondContact CB-O 3.46Å; Y176-F179 WeakPolarHBondContact O-CD1 3.11Å; Y176-E406 HydrophobicContact CD2-CB 4.24Å; Y176-E406 HydrophobicContact CD2-CG 4.08Å; Y176-E406 HydrophobicContact CE2-CB 4.19Å; Y176-E406 HydrophobicContact CE2-CG 4.38Å
177	R	93.9	Very high	85.9	Confident	43 Å²	43	45.5 Å²	45.5	16%	0.162	22%	0.222	C	C	.	.	S	Bend	trans	-93.1	-25.7	172.3	-67.5	-161.4	175.2	176.4	-11.5	113.3	K68 G69 Y123 Y164 R165 D167	K68-R177 WeakPolarHBondContact O-CD 3.48Å; G69-R177 PolarHBondContact O-N 2.94Å; Y123-R177 HydrophobicContact CE2-CB 4.41Å; Y123-R177 WeakPolarHBondContact OH-CD 3.36Å; Y123-R177 PolarHBondContact OH-NH1 2.97Å; Y164-R177 CarbonylContact C-O 3.44Å; Y164-R177 VanDerWaalsContact CA-O 3.29Å; Y164-R177 WeakPolarHBondContact CA-O 3.44Å; R165-R177 PolarHBondContact N-O 2.57Å; R165-R177 WeakPolarHBondContact O-CA 3.18Å; R165-R177 VanDerWaalsContact O-CB 3.24Å; R165-R177 WeakPolarHBondContact O-CB 3.43Å; R165-R177 VanDerWaalsContact O-CG 3.27Å; R165-R177 WeakPolarHBondContact O-CG 3.46Å; D167-R177 PolarHBondContact O-NE 3.15Å; D167-R177 PolarHBondContact O-NH2 3.15Å
178	E	95.4	Very high	86.7	Confident	30 Å²	30	44.5 Å²	44.5	14%	0.14	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	125.4	167.4	177.4	-171.1	-105.1	0	0	107.3	T70 K162 V163 Y164 Y176	T70-E178 HydrophobicContact CG2-CB 3.78Å; K162-E178 HydrophobicContact CB-CG 4.4Å; K162-E178 HydrophobicContact CD-CG 3.87Å; K162-E178 HydrophobicContact CG-CG 4.45Å; K162-E178 VanDerWaalsContact NZ-CD 3.34Å; K162-E178 IonicContact NZ-OE1 3.24Å; K162-E178 IonicContact NZ-OE2 3.08Å; K162-E178 PolarHBondContact NZ-OE2 3.48Å; V163-E178 WeakPolarHBondContact O-CA 3.34Å; Y164-E178 HydrophobicContact CD1-CB 4.12Å; Y164-E178 HydrophobicContact CD1-CG 4.18Å; Y164-E178 HydrophobicContact CE1-CB 3.93Å; Y164-E178 HydrophobicContact CE1-CG 3.56Å; Y164-E178 VanDerWaalsContact CE1-OE1 3.28Å; Y164-E178 WeakPolarHBondContact CE1-OE1 3.25Å; Y164-E178 PolarHBondContact OH-OE1 3.5Å; Y176-E178 WeakPolarHBondContact CB-O 3.46Å
179	F	94.4	Very high	87.5	Confident	36 Å²	36	46.1 Å²	46.1	16%	0.158	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	161.4	177.8	55.5	-86.9	0	0	0	111.6	K162 V163 R165 Y176 Q181 E406	K162-F179 CarbonylContact C-O 3.5Å; K162-F179 VanDerWaalsContact CA-O 3.27Å; K162-F179 WeakPolarHBondContact CA-O 3.48Å; V163-F179 HydrophobicContact CG2-CD2 3.91Å; V163-F179 HydrophobicContact CG2-CE1 4.3Å; V163-F179 HydrophobicContact CG2-CE2 3.54Å; V163-F179 HydrophobicContact CG2-CG 4.43Å; V163-F179 HydrophobicContact CG2-CZ 3.76Å; V163-F179 PolarHBondContact N-O 2.74Å; V163-F179 PolarHBondContact O-N 2.93Å; R165-F179 HydrophobicContact CB-CE1 4.37Å; R165-F179 HydrophobicContact CG-CE1 4.06Å; R165-F179 HydrophobicContact CG-CZ 4.16Å; Y176-F179 WeakPolarHBondContact O-CD1 3.11Å; F179-Q181 HydrophobicContact CE2-CG 4.14Å; F179-E406 HydrophobicContact CB-CG 3.44Å; F179-E406 VanDerWaalsContact CB-CG 3.44Å; F179-E406 HydrophobicContact CG-CG 4.48Å
180	Y	95.9	Very high	88.6	Confident	58 Å²	58	49.4 Å²	49.4	23%	0.227	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	142	175	-80.5	-90.9	0	0	0	112.7	F85 I160 A161 K162 E406	F85-Y180 HydrophobicContact CE1-CD1 4.11Å; F85-Y180 HydrophobicContact CE1-CG 4.3Å; F85-Y180 AromaticContact CZ-CD1 3.74Å; F85-Y180 HydrophobicContact CZ-CD1 3.74Å; F85-Y180 HydrophobicContact CZ-CD2 4.06Å; F85-Y180 AromaticContact CZ-CE1 3.99Å; F85-Y180 HydrophobicContact CZ-CE1 3.99Å; F85-Y180 HydrophobicContact CZ-CE2 4.29Å; F85-Y180 AromaticContact CZ-CG 3.78Å; F85-Y180 HydrophobicContact CZ-CG 3.78Å; I160-Y180 HydrophobicContact CG2-CD1 4.23Å; A161-Y180 WeakPolarHBondContact O-CA 3.49Å; K162-Y180 HydrophobicContact CD-CE2 4.18Å; K162-Y180 HydrophobicContact CG-CD1 4.13Å; K162-Y180 HydrophobicContact CG-CD2 3.93Å; K162-Y180 HydrophobicContact CG-CE1 3.86Å; K162-Y180 HydrophobicContact CG-CE2 3.64Å; K162-Y180 HydrophobicContact CG-CG 4.16Å; Y180-E406 PolarHBondContact N-OE1 3.4Å
181	Q	96.3	Very high	89.7	Confident	20 Å²	20	54.1 Å²	54.1	9%	0.093	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	146.7	157.5	-75.8	-169.6	-68.4	0	0	109.1	D138 L139 I160 A161 V163 F179 S402	D138-Q181 VanDerWaalsContact CA-OE1 3.24Å; L139-Q181 HydrophobicContact CD1-CB 3.82Å; L139-Q181 HydrophobicContact CG-CB 4.18Å; I160-Q181 WeakPolarHBondContact CA-O 3.46Å; A161-Q181 PolarHBondContact N-O 3.39Å; A161-Q181 PolarHBondContact O-N 2.96Å; V163-Q181 HydrophobicContact CG1-CB 4.41Å; V163-Q181 HydrophobicContact CG1-CG 4.31Å; V163-Q181 HydrophobicContact CG2-CG 3.79Å; F179-Q181 HydrophobicContact CE2-CG 4.14Å; Q181-S402 PolarHBondContact NE2-OG 2.88Å; Q181-S402 VanDerWaalsContact NE2-OG 3.1Å
182	C	98.1	Very high	91.3	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	95.5	172.9	-57.4	0	0	0	0	107.6	I88 F92 I160 S402 I403	I88-C182 HydrophobicContact CG2-CB 4.15Å; F92-C182 HydrophobicContact CE2-CB 4.34Å; F92-C182 HydrophobicContact CZ-CB 4.49Å; I160-C182 HydrophobicContact CG1-CB 4.02Å; C182-S402 WeakPolarHBondContact O-CA 3.49Å; C182-I403 HydrophobicContact CB-CB 4.13Å; C182-I403 PolarHBondContact O-N 2.89Å
183	D	98.6	Very high	93	Very high	1 Å²	1	46.8 Å²	46.8	1%	0.005	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	142.3	-172.1	-76.2	27.2	0	0	0	110.5	L139 Y158 H159 V401 S402	L139-D183 HydrophobicContact CB-CB 4.29Å; L139-D183 HydrophobicContact CD1-CB 4.17Å; Y158-D183 CarbonylContact C-O 3.58Å; Y158-D183 WeakPolarHBondContact CA-O 3.17Å; Y158-D183 WeakPolarHBondContact CB-O 3.3Å; H159-D183 PolarHBondContact N-O 3.28Å; H159-D183 PolarHBondContact O-N 2.69Å; D183-V401 CarbonylContact C-O 3.53Å; D183-V401 VanDerWaalsContact CA-O 3.27Å; D183-V401 WeakPolarHBondContact CA-O 3.35Å; D183-S402 WeakPolarHBondContact OD1-CB 3.27Å; D183-S402 PolarHBondContact OD1-OG 3.08Å
184	F	98.8	Very high	94.7	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	126.8	171.1	178.7	-77.1	0	0	0	108.5	F92 H95 A97 K156 R157 I186 I202 G400 V401	F92-F184 HydrophobicContact CB-CD2 4.12Å; F92-F184 HydrophobicContact CB-CE2 4.5Å; F92-F184 HydrophobicContact CD1-CB 3.94Å; F92-F184 AromaticContact CD1-CD2 3.46Å; F92-F184 HydrophobicContact CD1-CD2 3.46Å; F92-F184 VanDerWaalsContact CD1-CD2 3.46Å; F92-F184 HydrophobicContact CD1-CE2 4.29Å; F92-F184 HydrophobicContact CD1-CG 4.06Å; F92-F184 HydrophobicContact CE1-CB 3.54Å; F92-F184 AromaticContact CE1-CD2 4Å; F92-F184 HydrophobicContact CE1-CD2 4Å; F92-F184 HydrophobicContact CE1-CG 4.13Å; F92-F184 AromaticContact CG-CD2 3.9Å; F92-F184 HydrophobicContact CG-CD2 3.9Å; F92-F184 HydrophobicContact CZ-CB 3.88Å; H95-F184 HydrophobicContact CB-CE2 4.09Å; H95-F184 HydrophobicContact CB-CZ 4.12Å; A97-F184 HydrophobicContact CB-CD2 3.81Å; A97-F184 HydrophobicContact CB-CE2 3.29Å; A97-F184 HydrophobicContact CB-CZ 4.11Å; K156-F184 HydrophobicContact CD-CE1 4.3Å; K156-F184 HydrophobicContact CD-CZ 3.77Å; K156-F184 HydrophobicContact CG-CE1 4.26Å; K156-F184 HydrophobicContact CG-CE2 4.42Å; K156-F184 HydrophobicContact CG-CZ 3.76Å; R157-F184 CarbonylContact O-C 3.55Å; R157-F184 WeakPolarHBondContact O-CA 3.47Å; F184-I186 HydrophobicContact CD1-CG1 4.47Å; F184-I186 HydrophobicContact CE1-CD1 3.96Å; F184-I186 HydrophobicContact CE1-CG1 3.66Å; F184-I186 HydrophobicContact CZ-CG1 4.43Å; F184-I202 HydrophobicContact CD1-CD1 3.66Å; F184-I202 HydrophobicContact CD2-CD1 4Å; F184-I202 HydrophobicContact CE1-CD1 3.26Å; F184-I202 HydrophobicContact CE2-CD1 3.58Å; F184-I202 HydrophobicContact CG-CD1 4.02Å; F184-I202 HydrophobicContact CZ-CD1 3.21Å; F184-G400 CarbonylContact O-C 3.37Å; F184-G400 WeakPolarHBondContact O-CA 3.47Å; F184-V401 HydrophobicContact CB-CG1 4.15Å; F184-V401 PolarHBondContact N-O 3.31Å; F184-V401 PolarHBondContact O-N 3.08Å
185	D	98.8	Very high	96.1	Very high	2 Å²	2	41.2 Å²	41.2	1%	0.011	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	142.9	-175.5	-67.2	-100.3	0	0	0	111.6	F143 K156 R157 Y382 V399 G400	F143-D185 HydrophobicContact CD1-CB 4.11Å; F143-D185 HydrophobicContact CE1-CB 3.67Å; F143-D185 HydrophobicContact CZ-CB 4.44Å; K156-D185 WeakPolarHBondContact CA-O 3.43Å; R157-D185 IonicContact CZ-OD2 3.87Å; R157-D185 PolarHBondContact N-O 3.42Å; R157-D185 IonicContact NH1-OD2 3.21Å; R157-D185 PolarHBondContact NH1-OD2 3.24Å; R157-D185 IonicContact NH2-OD2 2.81Å; R157-D185 PolarHBondContact NH2-OD2 2.71Å; R157-D185 PolarHBondContact O-N 3.41Å; D185-Y382 WeakPolarHBondContact OD1-CE1 3.21Å; D185-Y382 VanDerWaalsContact OD1-CZ 3.27Å; D185-Y382 PolarHBondContact OD1-OH 3.41Å; D185-V399 WeakPolarHBondContact CA-O 3.39Å; D185-G400 VanDerWaalsContact OD1-CA 3.28Å; D185-G400 WeakPolarHBondContact OD1-CA 3.44Å
186	I	98.9	Very high	97.2	Very high	8 Å²	8	35.4 Å²	35.4	4%	0.041	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	112.4	174.7	-52	175	0	0	0	107.1	K156 F184 Y190 P195 E198 C398 V399	K156-I186 HydrophobicContact CD-CD1 3.96Å; K156-I186 HydrophobicContact CD-CG1 3.73Å; K156-I186 HydrophobicContact CG-CG1 3.95Å; F184-I186 HydrophobicContact CD1-CG1 4.47Å; F184-I186 HydrophobicContact CE1-CD1 3.96Å; F184-I186 HydrophobicContact CE1-CG1 3.66Å; F184-I186 HydrophobicContact CZ-CG1 4.43Å; I186-Y190 HydrophobicContact CG2-CD2 4.33Å; I186-Y190 HydrophobicContact CG2-CE2 3.75Å; I186-P195 HydrophobicContact CB-CB 4.16Å; I186-P195 HydrophobicContact CD1-CB 3.73Å; I186-P195 HydrophobicContact CG2-CB 3.99Å; I186-P195 HydrophobicContact CG2-CG 4.5Å; I186-E198 HydrophobicContact CD1-CB 4.27Å; I186-E198 HydrophobicContact CD1-CG 4.45Å; I186-E198 WeakPolarHBondContact CD1-OE2 3.43Å; I186-C398 WeakPolarHBondContact O-CA 3.18Å; I186-V399 HydrophobicContact CB-CG1 4.33Å; I186-V399 PolarHBondContact N-O 2.72Å; I186-V399 PolarHBondContact O-N 3.34Å
187	A	98.8	Very high	97.7	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	137.4	173.6	0	0	0	0	0	109.9	F143 L147 N154 I155 Y190 V396 P397 C398	F143-A187 HydrophobicContact CE1-CB 4.26Å; F143-A187 HydrophobicContact CZ-CB 3.97Å; L147-A187 HydrophobicContact CD1-CB 3.78Å; L147-A187 HydrophobicContact CD2-CB 4.33Å; N154-A187 VanDerWaalsContact CA-O 3.23Å; N154-A187 WeakPolarHBondContact CA-O 3.42Å; I155-A187 HydrophobicContact CG2-CB 4.06Å; I155-A187 PolarHBondContact N-O 2.88Å; I155-A187 VanDerWaalsContact N-O 3.08Å; I155-A187 PolarHBondContact O-N 2.94Å; A187-Y190 PolarHBondContact O-OH 3.49Å; A187-V396 HydrophobicContact CB-CG1 4.07Å; A187-P397 CarbonylContact C-O 3.46Å; A187-P397 WeakPolarHBondContact CA-O 3.19Å; A187-C398 VanDerWaalsContact CB-SG 3.57Å
188	G	98.3	Very high	98	Very high	4 Å²	4	34.5 Å²	34.5	4%	0.041	17%	0.172	C	C	.	.	S	Bend	trans	140.2	162.9	175.3	0	0	0	0	0	113.9	T153 Y190 P397	T153-G188 VanDerWaalsContact O-CA 3.27Å; T153-G188 WeakPolarHBondContact O-CA 3.31Å; G188-Y190 VanDerWaalsContact CA-CE2 3.5Å; G188-Y190 VanDerWaalsContact O-CD2 3.26Å; G188-Y190 WeakPolarHBondContact O-CD2 3.38Å; G188-P397 PolarHBondContact N-O 3.25Å
189	Q	98.1	Very high	98.1	Very high	155 Å²	155	33 Å²	33	72%	0.724	17%	0.165	S	C	*	.			trans	-83	115.3	172.5	-175.3	67	54.5	0	0	109.1
190	Y	98.3	Very high	98.3	Very high	100 Å²	100	31.4 Å²	31.4	39%	0.392	16%	0.158	S	C	.	.			trans	-133.2	173.8	178.2	-56.7	-74.3	0	0	0	110	I186 A187 G188 P195	I186-Y190 HydrophobicContact CG2-CD2 4.33Å; I186-Y190 HydrophobicContact CG2-CE2 3.75Å; A187-Y190 PolarHBondContact O-OH 3.49Å; G188-Y190 VanDerWaalsContact CA-CE2 3.5Å; G188-Y190 VanDerWaalsContact O-CD2 3.26Å; G188-Y190 WeakPolarHBondContact O-CD2 3.38Å; Y190-P195 HydrophobicContact CD2-CG 3.84Å; Y190-P195 HydrophobicContact CG-CG 4.09Å
191	D	98.5	Very high	98.5	Very high	129 Å²	129	30.6 Å²	30.6	69%	0.69	16%	0.155	S	C	*	.	S	Bend	trans	-67	147.7	171.8	-68.7	-11.7	0	0	0	110.9	M193 I194	D191-M193 PolarHBondContact O-N 3.02Å; D191-I194 HydrophobicContact CB-CD1 3.9Å
192	A	98.1	Very high	98.6	Very high	51 Å²	51	29.6 Å²	29.6	42%	0.421	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	137.9	-168.5	0	0	0	0	0	112.3	I194 L312 Y316	A192-I194 PolarHBondContact O-N 3.17Å; A192-L312 HydrophobicContact CB-CD2 4.03Å; A192-Y316 WeakPolarHBondContact O-CE2 3.48Å
193	M	98.4	Very high	98.6	Very high	4 Å²	4	29.7 Å²	29.7	2%	0.02	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.4	-6.2	170.5	-52.9	-46.1	-63.5	0	0	117.5	D191 D196 A197 D309 L312 L313 Y316 V342	D191-M193 PolarHBondContact O-N 3.02Å; M193-D196 WeakPolarHBondContact CA-OD2 3.43Å; M193-D196 HydrophobicContact CE-CB 3.58Å; M193-D196 HydrophobicContact SD-CB 4.38Å; M193-A197 VanDerWaalsContact O-CB 3.31Å; M193-A197 WeakPolarHBondContact O-CB 3.18Å; M193-A197 PolarHBondContact O-N 3.38Å; M193-D309 HydrophobicContact CG-CB 4.06Å; M193-D309 WeakPolarHBondContact CG-O 3.38Å; M193-D309 HydrophobicContact SD-CB 3.79Å; M193-L312 HydrophobicContact CB-CD2 4.18Å; M193-L312 HydrophobicContact CB-CG 4.23Å; M193-L312 HydrophobicContact CG-CB 4.3Å; M193-L312 HydrophobicContact CG-CD2 4.07Å; M193-L312 HydrophobicContact CG-CG 4.33Å; M193-L313 HydrophobicContact CB-CB 4.41Å; M193-L313 HydrophobicContact CE-CB 3.69Å; M193-L313 HydrophobicContact CE-CD1 3.9Å; M193-L313 HydrophobicContact CE-CD2 3.96Å; M193-L313 HydrophobicContact CE-CG 4.05Å; M193-L313 HydrophobicContact CG-CB 4.5Å; M193-Y316 HydrophobicContact CB-CD2 4.08Å; M193-Y316 HydrophobicContact CB-CE2 3.89Å; M193-V342 HydrophobicContact CE-CB 4.45Å; M193-V342 HydrophobicContact CE-CG1 3.34Å; M193-V342 HydrophobicContact CE-CG2 4.35Å; M193-V342 HydrophobicContact SD-CG1 4.42Å
194	I	98.8	Very high	98.5	Very high	81 Å²	81	31 Å²	31	42%	0.415	16%	0.157	S	C	.	.	H	α-helix	trans	-65.2	-52.4	177.8	-55	175.8	0	0	0	111	D191 A192 D196 A197 E198 Y316	D191-I194 HydrophobicContact CB-CD1 3.9Å; A192-I194 PolarHBondContact O-N 3.17Å; I194-D196 VanDerWaalsContact C-N 3.3Å; I194-D196 PolarHBondContact O-N 2.88Å; I194-A197 PolarHBondContact O-N 2.76Å; I194-E198 PolarHBondContact O-N 3.29Å; I194-E198 VanDerWaalsContact O-N 3.13Å; I194-Y316 HydrophobicContact CG1-CD2 4.41Å; I194-Y316 HydrophobicContact CG1-CE2 3.7Å
195	P	98.8	Very high	98.5	Very high	8 Å²	8	32.8 Å²	32.8	5%	0.052	17%	0.166	C	C	.	.	H	α-helix	trans	-66.3	-34.7	178.5	-20.5	36.1	0	0	0	112.1	I186 Y190 E198 C199 V399	I186-P195 HydrophobicContact CB-CB 4.16Å; I186-P195 HydrophobicContact CD1-CB 3.73Å; I186-P195 HydrophobicContact CG2-CB 3.99Å; I186-P195 HydrophobicContact CG2-CG 4.5Å; Y190-P195 HydrophobicContact CD2-CG 3.84Å; Y190-P195 HydrophobicContact CG-CG 4.09Å; P195-E198 WeakPolarHBondContact O-CB 3.47Å; P195-E198 PolarHBondContact O-N 3Å; P195-C199 PolarHBondContact O-N 2.83Å; P195-C199 PolarHBondContact O-SG 3.34Å; P195-C199 VanDerWaalsContact O-SG 3.4Å; P195-V399 HydrophobicContact CB-CG1 3.65Å
196	D	98.7	Very high	98.4	Very high	1 Å²	1	32.7 Å²	32.7	1%	0.005	17%	0.165	C	C	.	.	H	α-helix	trans	-62.8	-42.8	178.5	-49.9	-108.5	0	0	0	111.3	M193 I194 C199 L200 L313 V342 R381 V399	M193-D196 WeakPolarHBondContact CA-OD2 3.43Å; M193-D196 HydrophobicContact CE-CB 3.58Å; M193-D196 HydrophobicContact SD-CB 4.38Å; I194-D196 VanDerWaalsContact C-N 3.3Å; I194-D196 PolarHBondContact O-N 2.88Å; D196-C199 PolarHBondContact O-N 3.5Å; D196-L200 PolarHBondContact O-N 3.47Å; D196-L313 HydrophobicContact CB-CD1 4.29Å; D196-V342 HydrophobicContact CB-CG2 4.07Å; D196-V342 VanDerWaalsContact OD1-CG2 3.29Å; D196-V342 WeakPolarHBondContact OD1-CG2 3.11Å; D196-R381 IonicContact OD1-CZ 2.68Å; D196-R381 IonicContact OD1-NE 3.92Å; D196-R381 PolarHBondContact OD1-NE 3.26Å; D196-R381 IonicContact OD1-NH2 3.21Å; D196-R381 PolarHBondContact OD1-NH2 2.87Å; D196-R381 IonicContact OD2-CZ 3.17Å; D196-R381 IonicContact OD2-NE 3.65Å; D196-R381 IonicContact OD2-NH2 3.91Å; D196-R381 PolarHBondContact OD2-NH2 3.03Å; D196-V399 HydrophobicContact CB-CG2 4.34Å
197	A	98.8	Very high	98.2	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-65	-39	173.6	0	0	0	0	0	112.1	M193 I194 L200 K201 L313 Y316 L317 F320	M193-A197 VanDerWaalsContact O-CB 3.31Å; M193-A197 WeakPolarHBondContact O-CB 3.18Å; M193-A197 PolarHBondContact O-N 3.38Å; I194-A197 PolarHBondContact O-N 2.76Å; A197-L200 PolarHBondContact O-N 3.16Å; A197-K201 PolarHBondContact O-N 2.91Å; A197-L313 HydrophobicContact CB-CD1 3.78Å; A197-Y316 HydrophobicContact CB-CD2 4.25Å; A197-L317 HydrophobicContact CB-CD2 4.4Å; A197-F320 HydrophobicContact CB-CD2 4.16Å; A197-F320 HydrophobicContact CB-CE2 3.67Å
198	E	98.8	Very high	98	Very high	36 Å²	36	34.9 Å²	34.9	17%	0.168	18%	0.181	C	C	.	.	H	α-helix	trans	-61.8	-42.1	176.4	-171.9	-179.6	-177.8	0	0	111.2	H95 K156 I186 I194 P195 L200 K201 I202	H95-E198 IonicContact CG-OE1 3.99Å; H95-E198 WeakPolarHBondContact ND1-CG 3.32Å; H95-E198 IonicContact ND1-OE1 3.82Å; H95-E198 PolarHBondContact ND1-OE1 2.87Å; K156-E198 IonicContact NZ-OE1 3.59Å; K156-E198 PolarHBondContact NZ-OE1 3.26Å; K156-E198 IonicContact NZ-OE2 3.86Å; K156-E198 PolarHBondContact NZ-OE2 3.03Å; I186-E198 HydrophobicContact CD1-CB 4.27Å; I186-E198 HydrophobicContact CD1-CG 4.45Å; I186-E198 WeakPolarHBondContact CD1-OE2 3.43Å; I194-E198 PolarHBondContact O-N 3.29Å; I194-E198 VanDerWaalsContact O-N 3.13Å; P195-E198 WeakPolarHBondContact O-CB 3.47Å; P195-E198 PolarHBondContact O-N 3Å; E198-L200 VanDerWaalsContact C-N 3.34Å; E198-L200 PolarHBondContact O-N 3.36Å; E198-K201 WeakPolarHBondContact O-CB 3.45Å; E198-K201 PolarHBondContact O-N 3.16Å; E198-I202 HydrophobicContact CG-CD1 4.19Å; E198-I202 WeakPolarHBondContact O-CG1 3.19Å; E198-I202 PolarHBondContact O-N 3.13Å
199	C	98.7	Very high	97.9	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-59	-43.1	175.7	-68.2	0	0	0	0	112.4	P195 D196 I202 V203 Y344	P195-C199 PolarHBondContact O-N 2.83Å; P195-C199 PolarHBondContact O-SG 3.34Å; P195-C199 VanDerWaalsContact O-SG 3.4Å; D196-C199 PolarHBondContact O-N 3.5Å; C199-I202 PolarHBondContact O-N 2.86Å; C199-V203 WeakPolarHBondContact O-CG2 3.41Å; C199-V203 PolarHBondContact O-N 3.08Å; C199-V203 VanDerWaalsContact O-N 3.13Å; C199-Y344 WeakPolarHBondContact CB-OH 3.25Å
200	L	98.6	Very high	97.5	Very high	1 Å²	1	31.2 Å²	31.2	1%	0.005	16%	0.163	C	C	.	.	H	α-helix	trans	-66.6	-37.1	176.1	-68.8	-178.5	0	0	0	112.4	D196 A197 E198 I202 V203 H204 I217 V219 L313 L317 Y344	D196-L200 PolarHBondContact O-N 3.47Å; A197-L200 PolarHBondContact O-N 3.16Å; E198-L200 VanDerWaalsContact C-N 3.34Å; E198-L200 PolarHBondContact O-N 3.36Å; L200-I202 VanDerWaalsContact C-N 3.35Å; L200-V203 PolarHBondContact O-N 3.3Å; L200-H204 PolarHBondContact O-N 3.43Å; L200-I217 HydrophobicContact CD2-CG2 3.6Å; L200-V219 HydrophobicContact CD1-CG2 3.82Å; L200-V219 HydrophobicContact CD2-CG2 4.17Å; L200-L313 HydrophobicContact CD1-CD1 4.15Å; L200-L313 HydrophobicContact CD1-CD2 3.97Å; L200-L313 HydrophobicContact CD1-CG 4.38Å; L200-L317 HydrophobicContact CB-CD2 3.8Å; L200-L317 HydrophobicContact CD1-CD1 3.85Å; L200-L317 HydrophobicContact CD1-CD2 3.92Å; L200-L317 HydrophobicContact CD1-CG 4.45Å; L200-Y344 HydrophobicContact CD2-CD1 3.79Å; L200-Y344 HydrophobicContact CD2-CD2 3.9Å; L200-Y344 HydrophobicContact CD2-CE1 4.29Å; L200-Y344 HydrophobicContact CD2-CE2 4.38Å; L200-Y344 HydrophobicContact CD2-CG 3.57Å; L200-Y344 HydrophobicContact CG-CD1 4.38Å
201	K	98.6	Very high	96.9	Very high	41 Å²	41	32.6 Å²	32.6	18%	0.178	17%	0.173	C	C	.	.	H	α-helix	trans	-61.2	-43.3	173.5	179.7	56.8	173.4	-170.3	0	111.6	A197 E198 V203 H204 E205 F320 V322	A197-K201 PolarHBondContact O-N 2.91Å; E198-K201 WeakPolarHBondContact O-CB 3.45Å; E198-K201 PolarHBondContact O-N 3.16Å; K201-V203 PolarHBondContact O-N 2.84Å; K201-H204 WeakPolarHBondContact O-CB 3.37Å; K201-H204 PolarHBondContact O-N 3.34Å; K201-E205 HydrophobicContact CD-CG 4.16Å; K201-E205 WeakPolarHBondContact CE-OE1 3.2Å; K201-E205 HydrophobicContact CG-CG 4.44Å; K201-E205 WeakPolarHBondContact O-CG 3.45Å; K201-E205 PolarHBondContact O-N 3.4Å; K201-F320 HydrophobicContact CB-CD2 4Å; K201-F320 HydrophobicContact CB-CE2 4.5Å; K201-F320 HydrophobicContact CD-CB 4.27Å; K201-F320 HydrophobicContact CG-CD2 4.49Å; K201-F320 PolarHBondContact NZ-O 3.48Å; K201-V322 HydrophobicContact CD-CG1 3.62Å
202	I	98.6	Very high	96.1	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-61.3	-44.6	177.6	-71.9	165.9	0	0	0	111.3	F92 H95 F184 E198 C199 L200 H204 E205 I206	F92-I202 HydrophobicContact CD1-CG2 3.91Å; F92-I202 HydrophobicContact CE1-CG2 3.71Å; H95-I202 HydrophobicContact CB-CD1 4Å; H95-I202 HydrophobicContact CB-CG1 4.36Å; F184-I202 HydrophobicContact CD1-CD1 3.66Å; F184-I202 HydrophobicContact CD2-CD1 4Å; F184-I202 HydrophobicContact CE1-CD1 3.26Å; F184-I202 HydrophobicContact CE2-CD1 3.58Å; F184-I202 HydrophobicContact CG-CD1 4.02Å; F184-I202 HydrophobicContact CZ-CD1 3.21Å; E198-I202 HydrophobicContact CG-CD1 4.19Å; E198-I202 WeakPolarHBondContact O-CG1 3.19Å; E198-I202 PolarHBondContact O-N 3.13Å; C199-I202 PolarHBondContact O-N 2.86Å; L200-I202 VanDerWaalsContact C-N 3.35Å; I202-H204 VanDerWaalsContact C-N 3.33Å; I202-H204 PolarHBondContact O-N 2.86Å; I202-E205 PolarHBondContact O-N 3.15Å; I202-I206 HydrophobicContact CG2-CD1 3.7Å; I202-I206 HydrophobicContact CG2-CG1 4.45Å; I202-I206 WeakPolarHBondContact O-CB 3.47Å; I202-I206 VanDerWaalsContact O-CG1 3.32Å; I202-I206 WeakPolarHBondContact O-CG1 3.04Å; I202-I206 PolarHBondContact O-N 2.92Å
203	V	98	Very high	95.5	Very high	2 Å²	2	26 Å²	26	1%	0.012	14%	0.139	C	C	.	.	H	α-helix	trans	-58.9	-47.8	175.5	175.7	0	0	0	0	110.7	C199 L200 K201 I206 L207 I217 A346 A377 V401 I403	C199-V203 WeakPolarHBondContact O-CG2 3.41Å; C199-V203 PolarHBondContact O-N 3.08Å; C199-V203 VanDerWaalsContact O-N 3.13Å; L200-V203 PolarHBondContact O-N 3.3Å; K201-V203 PolarHBondContact O-N 2.84Å; V203-I206 PolarHBondContact O-N 3.13Å; V203-L207 HydrophobicContact CG1-CD1 3.79Å; V203-L207 HydrophobicContact CG1-CG 4.32Å; V203-L207 WeakPolarHBondContact O-CB 3.28Å; V203-L207 WeakPolarHBondContact O-CG 3.41Å; V203-L207 PolarHBondContact O-N 2.89Å; V203-I217 HydrophobicContact CB-CD1 4.14Å; V203-I217 HydrophobicContact CG1-CD1 3.8Å; V203-I217 HydrophobicContact CG1-CG1 4.08Å; V203-A346 HydrophobicContact CG1-CB 3.84Å; V203-A377 HydrophobicContact CG1-CB 4.1Å; V203-V401 HydrophobicContact CG2-CB 4.18Å; V203-V401 HydrophobicContact CG2-CG1 4.15Å; V203-V401 HydrophobicContact CG2-CG2 3.42Å; V203-V401 VanDerWaalsContact CG2-CG2 3.42Å; V203-I403 HydrophobicContact CG2-CD1 4.39Å
204	H	97.6	Very high	95	Very high	27 Å²	27	28.6 Å²	28.6	13%	0.125	15%	0.153	C	C	.	.	H	α-helix	trans	-57	-52.5	177.2	172.9	-70.1	0	0	0	111.4	L200 K201 I202 I206 L207 S208 F215 I217 V322	L200-H204 PolarHBondContact O-N 3.43Å; K201-H204 WeakPolarHBondContact O-CB 3.37Å; K201-H204 PolarHBondContact O-N 3.34Å; I202-H204 VanDerWaalsContact C-N 3.33Å; I202-H204 PolarHBondContact O-N 2.86Å; H204-I206 PolarHBondContact O-N 2.81Å; H204-L207 PolarHBondContact O-N 3.07Å; H204-S208 PolarHBondContact CE1-OG 3.37Å; H204-S208 VanDerWaalsContact O-CB 3.32Å; H204-S208 WeakPolarHBondContact O-CB 3.32Å; H204-S208 PolarHBondContact O-N 3.19Å; H204-S208 PolarHBondContact O-OG 3Å; H204-F215 HydrophobicContact CB-CZ 4.49Å; H204-F215 AromaticContact CD2-CZ 3.98Å; H204-I217 HydrophobicContact CB-CD1 4.3Å; H204-V322 HydrophobicContact CB-CB 4.42Å; H204-V322 HydrophobicContact CB-CG1 3.98Å
205	E	97.9	Very high	94.7	Very high	38 Å²	38	25 Å²	25	18%	0.178	13%	0.134	C	C	.	.	H	α-helix	trans	-58.4	-46.4	-179.7	-72.5	-171.7	170.6	0	0	112.5	C91 R94 H95 K201 I202 S208 E209	C91-E205 PolarHBondContact SG-OE2 2.89Å; C91-E205 VanDerWaalsContact SG-OE2 3.41Å; R94-E205 IonicContact CZ-OE2 2.83Å; R94-E205 VanDerWaalsContact CZ-OE2 3.22Å; R94-E205 IonicContact NE-OE2 3.9Å; R94-E205 PolarHBondContact NE-OE2 3.26Å; R94-E205 VanDerWaalsContact NE-OE2 3.08Å; R94-E205 IonicContact NH2-OE2 3.48Å; R94-E205 PolarHBondContact NH2-OE2 3.36Å; H95-E205 IonicContact CD2-OE2 2.75Å; H95-E205 IonicContact NE2-OE1 2.63Å; H95-E205 IonicContact NE2-OE2 3.63Å; H95-E205 PolarHBondContact NE2-OE2 2.83Å; K201-E205 HydrophobicContact CD-CG 4.16Å; K201-E205 WeakPolarHBondContact CE-OE1 3.2Å; K201-E205 HydrophobicContact CG-CG 4.44Å; K201-E205 WeakPolarHBondContact O-CG 3.45Å; K201-E205 PolarHBondContact O-N 3.4Å; I202-E205 PolarHBondContact O-N 3.15Å; E205-S208 PolarHBondContact O-N 3.37Å; E205-E209 WeakPolarHBondContact O-CB 3.5Å; E205-E209 WeakPolarHBondContact O-CG 3.13Å; E205-E209 PolarHBondContact O-N 2.95Å
206	I	97.4	Very high	94.6	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-60.8	-50	178.9	-71.5	170.6	0	0	0	110.8	I88 C91 F92 I202 V203 H204 S208 E209 L210 I403	I88-I206 HydrophobicContact CD1-CG2 4.47Å; I88-I206 HydrophobicContact CG1-CD1 4.38Å; I88-I206 HydrophobicContact CG1-CG2 3.77Å; I88-I206 HydrophobicContact CG2-CD1 4.19Å; C91-I206 HydrophobicContact CB-CD1 4.29Å; C91-I206 HydrophobicContact CB-CG1 3.73Å; F92-I206 HydrophobicContact CD1-CD1 4.2Å; F92-I206 HydrophobicContact CE1-CD1 3.57Å; F92-I206 HydrophobicContact CZ-CD1 4.14Å; I202-I206 HydrophobicContact CG2-CD1 3.7Å; I202-I206 HydrophobicContact CG2-CG1 4.45Å; I202-I206 WeakPolarHBondContact O-CB 3.47Å; I202-I206 VanDerWaalsContact O-CG1 3.32Å; I202-I206 WeakPolarHBondContact O-CG1 3.04Å; I202-I206 PolarHBondContact O-N 2.92Å; V203-I206 PolarHBondContact O-N 3.13Å; H204-I206 PolarHBondContact O-N 2.81Å; I206-S208 PolarHBondContact O-N 3.44Å; I206-E209 PolarHBondContact O-N 2.93Å; I206-L210 HydrophobicContact CG2-CD1 3.7Å; I206-L210 HydrophobicContact CG2-CG 4.46Å; I206-L210 WeakPolarHBondContact O-CB 3.32Å; I206-L210 WeakPolarHBondContact O-CG 3.45Å; I206-L210 PolarHBondContact O-N 3.22Å; I206-I403 HydrophobicContact CD1-CD1 4.18Å; I206-I403 HydrophobicContact CD1-CG1 4.09Å
207	L	94.9	Very high	94.4	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.005	16%	0.157	C	C	.	.	H	α-helix	trans	-68.9	-35.1	-176.6	-65.2	-179.1	0	0	0	112.1	V203 H204 L212 F215 A346 V376 I408	V203-L207 HydrophobicContact CG1-CD1 3.79Å; V203-L207 HydrophobicContact CG1-CG 4.32Å; V203-L207 WeakPolarHBondContact O-CB 3.28Å; V203-L207 WeakPolarHBondContact O-CG 3.41Å; V203-L207 PolarHBondContact O-N 2.89Å; H204-L207 PolarHBondContact O-N 3.07Å; L207-L212 HydrophobicContact CD2-CD1 4.18Å; L207-F215 HydrophobicContact CB-CD1 3.76Å; L207-F215 HydrophobicContact CB-CD2 4.28Å; L207-F215 HydrophobicContact CB-CE1 3.6Å; L207-F215 HydrophobicContact CB-CE2 4.15Å; L207-F215 HydrophobicContact CB-CG 4.1Å; L207-F215 HydrophobicContact CB-CZ 3.81Å; L207-F215 HydrophobicContact CD1-CB 4.37Å; L207-F215 HydrophobicContact CD1-CD1 4.45Å; L207-F215 HydrophobicContact CD1-CD2 3.72Å; L207-F215 HydrophobicContact CD1-CE2 4.09Å; L207-F215 HydrophobicContact CD1-CG 3.94Å; L207-A346 HydrophobicContact CD1-CB 3.66Å; L207-V376 HydrophobicContact CD1-CG2 4.09Å; L207-V376 HydrophobicContact CD2-CG2 4Å; L207-I408 HydrophobicContact CD2-CD1 4.35Å
208	S	94.7	Very high	94.3	Very high	54 Å²	54	34 Å²	34	38%	0.378	17%	0.169	S	C	.	.	H	α-helix	trans	-65.6	-45.3	172.8	-65.4	0	0	0	0	112.4	H204 E205 I206 L210 E211	H204-S208 PolarHBondContact CE1-OG 3.37Å; H204-S208 VanDerWaalsContact O-CB 3.32Å; H204-S208 WeakPolarHBondContact O-CB 3.32Å; H204-S208 PolarHBondContact O-N 3.19Å; H204-S208 PolarHBondContact O-OG 3Å; E205-S208 PolarHBondContact O-N 3.37Å; I206-S208 PolarHBondContact O-N 3.44Å; S208-L210 VanDerWaalsContact C-N 3.31Å; S208-L210 PolarHBondContact O-N 2.88Å; S208-E211 PolarHBondContact O-N 2.83Å
209	E	95.1	Very high	94.3	Very high	70 Å²	70	32.3 Å²	32.3	33%	0.327	16%	0.161	S	C	.	.	H	α-helix	trans	-70.3	-25.1	-179.2	-75.1	-175	-158.6	0	0	113.5	T87 R94 E205 I206 E211	T87-E209 HydrophobicContact CG2-CB 3.68Å; R94-E209 IonicContact CZ-OE1 3.82Å; R94-E209 VanDerWaalsContact CZ-OE1 3.22Å; R94-E209 IonicContact NH1-OE1 3.53Å; R94-E209 PolarHBondContact NH1-OE1 3.32Å; R94-E209 IonicContact NH2-OE1 2.78Å; R94-E209 PolarHBondContact NH2-OE1 3.19Å; E205-E209 WeakPolarHBondContact O-CB 3.5Å; E205-E209 WeakPolarHBondContact O-CG 3.13Å; E205-E209 PolarHBondContact O-N 2.95Å; I206-E209 PolarHBondContact O-N 2.93Å; E209-E211 VanDerWaalsContact C-N 3.31Å
210	L	90.9	Very high	94.2	Very high	11 Å²	11	32.3 Å²	32.3	6%	0.058	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-8.8	177	-69.8	172.3	0	0	0	113.7	V84 T87 I206 S208 L212 I408 M412	V84-L210 HydrophobicContact CB-CD2 4.22Å; V84-L210 HydrophobicContact CG1-CD1 4.21Å; V84-L210 HydrophobicContact CG1-CD2 3.89Å; V84-L210 HydrophobicContact CG2-CD2 4.08Å; T87-L210 HydrophobicContact CG2-CD2 3.91Å; T87-L210 HydrophobicContact CG2-CG 4.13Å; I206-L210 HydrophobicContact CG2-CD1 3.7Å; I206-L210 HydrophobicContact CG2-CG 4.46Å; I206-L210 WeakPolarHBondContact O-CB 3.32Å; I206-L210 WeakPolarHBondContact O-CG 3.45Å; I206-L210 PolarHBondContact O-N 3.22Å; S208-L210 VanDerWaalsContact C-N 3.31Å; S208-L210 PolarHBondContact O-N 2.88Å; L210-L212 VanDerWaalsContact C-N 3.31Å; L210-L212 HydrophobicContact CB-CD1 3.98Å; L210-L212 HydrophobicContact CB-CD2 4.24Å; L210-L212 HydrophobicContact CB-CG 3.74Å; L210-L212 HydrophobicContact CD1-CD1 4.21Å; L210-L212 PolarHBondContact O-N 3.49Å; L210-I408 HydrophobicContact CD1-CD1 3.95Å; L210-I408 HydrophobicContact CD1-CG2 3.99Å; L210-M412 HydrophobicContact CD2-SD 4.33Å
211	E	85.9	Confident	94.1	Very high	129 Å²	129	32.3 Å²	32.3	60%	0.603	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.5	45.1	177.6	-58.9	-178.7	-178.8	0	0	113.7	S208 E209 G213 R415	S208-E211 PolarHBondContact O-N 2.83Å; E209-E211 VanDerWaalsContact C-N 3.31Å; E211-G213 PolarHBondContact O-N 2.77Å; E211-R415 PolarHBondContact O-NH1 3.42Å; E211-R415 IonicContact OE2-NH1 3.02Å; E211-R415 IonicContact OE2-NH2 2.69Å
212	L	81.4	Confident	93.8	Very high	10 Å²	10	32 Å²	32	5%	0.052	16%	0.159	C	C	.	.			trans	-82.6	8.8	-174.4	-58.8	173.7	0	0	0	114.4	L207 L210 L348 I408 I411 M412	L207-L212 HydrophobicContact CD2-CD1 4.18Å; L210-L212 VanDerWaalsContact C-N 3.31Å; L210-L212 HydrophobicContact CB-CD1 3.98Å; L210-L212 HydrophobicContact CB-CD2 4.24Å; L210-L212 HydrophobicContact CB-CG 3.74Å; L210-L212 HydrophobicContact CD1-CD1 4.21Å; L210-L212 PolarHBondContact O-N 3.49Å; L212-L348 HydrophobicContact CB-CD1 4.43Å; L212-L348 HydrophobicContact CB-CD2 4.14Å; L212-I408 HydrophobicContact CD1-CB 4.23Å; L212-I408 HydrophobicContact CD1-CD1 4.03Å; L212-I408 HydrophobicContact CD1-CG1 3.73Å; L212-I408 HydrophobicContact CD1-CG2 3.83Å; L212-I408 HydrophobicContact CD2-CG2 4.09Å; L212-I411 HydrophobicContact CD2-CG2 4.17Å; L212-M412 HydrophobicContact CD2-CG 3.68Å; L212-M412 HydrophobicContact CD2-SD 4.1Å
213	G	84.1	Confident	93.6	Very high	33 Å²	33	34.7 Å²	34.7	34%	0.34	17%	0.168	S	C	.	.	S	Bend	trans	96.9	-171	-166.9	0	0	0	0	0	111.9	E211	E211-G213 PolarHBondContact O-N 2.77Å
214	D	88.8	Confident	93.5	Very high	57 Å²	57	34.6 Å²	34.6	31%	0.305	17%	0.168	S	C	.	.			trans	-78	147.7	179.2	-169.6	28.1	0	0	0	111.6	K325 T349 A351	D214-K325 IonicContact OD1-NZ 3.31Å; D214-K325 PolarHBondContact OD1-NZ 3.4Å; D214-T349 VanDerWaalsContact C-OG1 3.26Å; D214-T349 VanDerWaalsContact CB-OG1 3.29Å; D214-T349 WeakPolarHBondContact CB-OG1 3.3Å; D214-T349 PolarHBondContact O-N 2.92Å; D214-T349 PolarHBondContact O-OG1 2.84Å; D214-A351 HydrophobicContact CB-CB 4.39Å; D214-A351 PolarHBondContact N-O 2.92Å
215	F	93.4	Very high	93.3	Very high	6 Å²	6	33.4 Å²	33.4	3%	0.026	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	161.6	-175.4	67.1	-91.8	0	0	0	112	H204 L207 I217 K325 V347 L348	H204-F215 HydrophobicContact CB-CZ 4.49Å; H204-F215 AromaticContact CD2-CZ 3.98Å; L207-F215 HydrophobicContact CB-CD1 3.76Å; L207-F215 HydrophobicContact CB-CD2 4.28Å; L207-F215 HydrophobicContact CB-CE1 3.6Å; L207-F215 HydrophobicContact CB-CE2 4.15Å; L207-F215 HydrophobicContact CB-CG 4.1Å; L207-F215 HydrophobicContact CB-CZ 3.81Å; L207-F215 HydrophobicContact CD1-CB 4.37Å; L207-F215 HydrophobicContact CD1-CD1 4.45Å; L207-F215 HydrophobicContact CD1-CD2 3.72Å; L207-F215 HydrophobicContact CD1-CE2 4.09Å; L207-F215 HydrophobicContact CD1-CG 3.94Å; F215-I217 HydrophobicContact CD2-CG1 4.17Å; F215-I217 HydrophobicContact CE2-CD1 4.09Å; F215-I217 HydrophobicContact CE2-CG1 4.13Å; F215-K325 HydrophobicContact CE2-CB 4Å; F215-K325 HydrophobicContact CE2-CD 4.49Å; F215-K325 HydrophobicContact CE2-CG 4.07Å; F215-K325 HydrophobicContact CZ-CG 4.17Å; F215-V347 CarbonylContact C-O 3.59Å; F215-V347 WeakPolarHBondContact CA-O 3.45Å; F215-V347 WeakPolarHBondContact CB-O 3.41Å; F215-L348 HydrophobicContact CB-CD2 3.96Å
216	R	94.8	Very high	93	Very high	140 Å²	140	33.1 Å²	33.1	53%	0.528	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	142.5	171.9	-70.3	-178.4	-178.6	176.1	0.6	110.2	K325 A346 V347 T349	R216-K325 CarbonylContact C-O 3.55Å; R216-K325 WeakPolarHBondContact CA-O 3.46Å; R216-A346 CarbonylContact O-C 3.56Å; R216-A346 WeakPolarHBondContact O-CA 3.41Å; R216-V347 HydrophobicContact CB-CG2 4.3Å; R216-V347 PolarHBondContact N-O 2.65Å; R216-V347 PolarHBondContact O-N 2.6Å; R216-T349 HydrophobicContact CB-CG2 4.43Å; R216-T349 HydrophobicContact CG-CG2 3.8Å
217	I	96.4	Very high	92.8	Very high	1 Å²	1	33.2 Å²	33.2	1%	0.005	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	104.1	173.9	-53.1	167.2	0	0	0	107.9	L200 V203 H204 F215 V219 K325 V326 V327 E345 A346	L200-I217 HydrophobicContact CD2-CG2 3.6Å; V203-I217 HydrophobicContact CB-CD1 4.14Å; V203-I217 HydrophobicContact CG1-CD1 3.8Å; V203-I217 HydrophobicContact CG1-CG1 4.08Å; H204-I217 HydrophobicContact CB-CD1 4.3Å; F215-I217 HydrophobicContact CD2-CG1 4.17Å; F215-I217 HydrophobicContact CE2-CD1 4.09Å; F215-I217 HydrophobicContact CE2-CG1 4.13Å; I217-V219 HydrophobicContact CG2-CG2 4.31Å; I217-K325 PolarHBondContact N-O 3.3Å; I217-V326 HydrophobicContact CB-CG2 4.28Å; I217-V326 HydrophobicContact CD1-CG2 4.38Å; I217-V326 CarbonylContact O-C 3.58Å; I217-V326 WeakPolarHBondContact O-CA 3.35Å; I217-V327 PolarHBondContact O-N 3.27Å; I217-E345 CarbonylContact C-O 3.52Å; I217-E345 WeakPolarHBondContact CA-O 3.5Å; I217-A346 HydrophobicContact CG1-CB 4.1Å
218	K	96.1	Very high	92.8	Very high	58 Å²	58	33.2 Å²	33.2	25%	0.252	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	136.7	171.3	-62.3	-176.7	173.1	-143.1	0	109	V327 D329 L332 Y344 E345	K218-V327 CarbonylContact C-O 3.53Å; K218-V327 VanDerWaalsContact CA-O 3.32Å; K218-V327 WeakPolarHBondContact CA-O 3.21Å; K218-D329 HydrophobicContact CB-CB 4.32Å; K218-D329 HydrophobicContact CD-CB 4.46Å; K218-D329 WeakPolarHBondContact CD-OD2 3.47Å; K218-D329 VanDerWaalsContact CE-OD2 3.3Å; K218-D329 WeakPolarHBondContact CE-OD2 3.48Å; K218-D329 HydrophobicContact CG-CB 4.38Å; K218-D329 IonicContact NZ-OD2 2.73Å; K218-D329 PolarHBondContact NZ-OD2 3.42Å; K218-L332 HydrophobicContact CB-CD2 4.08Å; K218-Y344 CarbonylContact O-C 3.54Å; K218-Y344 WeakPolarHBondContact O-CA 3.39Å; K218-Y344 VanDerWaalsContact O-CB 3.25Å; K218-Y344 WeakPolarHBondContact O-CB 3.17Å; K218-E345 PolarHBondContact N-O 2.87Å; K218-E345 PolarHBondContact O-N 2.46Å
219	V	97.6	Very high	92.8	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	144.1	176.9	-178.2	0	0	0	0	108.6	L200 I217 I310 L313 V326 V327 F328 D329 I343	L200-V219 HydrophobicContact CD1-CG2 3.82Å; L200-V219 HydrophobicContact CD2-CG2 4.17Å; I217-V219 HydrophobicContact CG2-CG2 4.31Å; V219-I310 HydrophobicContact CG1-CD1 3.8Å; V219-L313 HydrophobicContact CG1-CD2 3.92Å; V219-V326 HydrophobicContact CB-CG1 4.41Å; V219-V326 HydrophobicContact CG2-CG1 3.51Å; V219-V327 PolarHBondContact N-O 2.98Å; V219-F328 WeakPolarHBondContact O-CA 3.43Å; V219-F328 WeakPolarHBondContact O-CD2 3.45Å; V219-D329 PolarHBondContact O-N 3.2Å; V219-I343 CarbonylContact C-O 3.54Å; V219-I343 WeakPolarHBondContact CA-O 3.38Å
220	N	97	Very high	92.8	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	-176.1	168.5	-163	2.1	0	0	0	109	L225 D329 L330 L332 V342 I343	N220-L225 WeakPolarHBondContact ND2-CD2 3.32Å; N220-D329 WeakPolarHBondContact CB-O 3.32Å; N220-D329 PolarHBondContact ND2-O 2.89Å; N220-L330 PolarHBondContact ND2-O 2.91Å; N220-L332 HydrophobicContact CB-CB 4.01Å; N220-L332 HydrophobicContact CB-CD2 4.18Å; N220-L332 HydrophobicContact CB-CG 4.41Å; N220-L332 PolarHBondContact ND2-O 3.19Å; N220-V342 CarbonylContact O-C 3.53Å; N220-V342 VanDerWaalsContact O-CA 3.3Å; N220-V342 WeakPolarHBondContact O-CA 3.38Å; N220-I343 HydrophobicContact CB-CD1 4.15Å; N220-I343 HydrophobicContact CB-CG1 3.88Å; N220-I343 PolarHBondContact N-O 3.24Å; N220-I343 PolarHBondContact O-N 2.63Å; N220-I343 VanDerWaalsContact O-O 3.11Å
221	D	96.2	Very high	92.9	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	137.2	174.7	-171.2	-70.6	0	0	0	111.1	R223 I224 L225 I310 G341 V342	D221-R223 PolarHBondContact O-N 3.39Å; D221-R223 WeakPolarHBondContact OD1-CB 3.36Å; D221-R223 WeakPolarHBondContact OD1-CG 3.47Å; D221-R223 IonicContact OD1-CZ 2.71Å; D221-R223 PolarHBondContact OD1-N 2.96Å; D221-R223 IonicContact OD1-NE 3.63Å; D221-R223 PolarHBondContact OD1-NE 2.98Å; D221-R223 IonicContact OD1-NH2 2.79Å; D221-R223 IonicContact OD2-CZ 2.8Å; D221-R223 IonicContact OD2-NE 2.66Å; D221-R223 PolarHBondContact OD2-NE 3.43Å; D221-R223 IonicContact OD2-NH2 3.77Å; D221-R223 PolarHBondContact OD2-NH2 2.85Å; D221-I224 HydrophobicContact CB-CB 4.41Å; D221-I224 HydrophobicContact CB-CD1 3.76Å; D221-I224 HydrophobicContact CB-CG1 3.9Å; D221-I224 WeakPolarHBondContact O-CB 3.47Å; D221-I224 PolarHBondContact O-N 3.5Å; D221-L225 PolarHBondContact O-N 3.49Å; D221-I310 HydrophobicContact CB-CD1 4.45Å; D221-I310 HydrophobicContact CB-CG1 4.4Å; D221-G341 WeakPolarHBondContact CA-O 3.34Å; D221-G341 VanDerWaalsContact CG-C 3.44Å; D221-G341 WeakPolarHBondContact OD2-CA 3.33Å; D221-V342 PolarHBondContact OD2-N 3.1Å; D221-V342 VanDerWaalsContact OD2-N 3.1Å
222	R	93.4	Very high	93.3	Very high	36 Å²	36	24.9 Å²	24.9	14%	0.136	13%	0.129	C	C	.	.	H	α-helix	trans	-58.7	-36	-178.1	-165.3	73.1	-175	83.8	12.6	112.4	I224 L225 D226 G341	R222-I224 VanDerWaalsContact C-N 3.3Å; R222-I224 PolarHBondContact O-N 2.65Å; R222-L225 PolarHBondContact O-N 3.47Å; R222-D226 IonicContact CZ-OD1 2.92Å; R222-D226 IonicContact CZ-OD2 3.06Å; R222-D226 IonicContact NH1-OD1 3.47Å; R222-D226 PolarHBondContact NH1-OD1 3.41Å; R222-D226 IonicContact NH1-OD2 3.02Å; R222-D226 IonicContact NH2-OD1 3.59Å; R222-D226 PolarHBondContact NH2-OD1 2.97Å; R222-D226 VanDerWaalsContact NH2-OD1 3.14Å; R222-D226 PolarHBondContact O-N 2.89Å; R222-G341 PolarHBondContact N-O 2.99Å
223	R	94.6	Very high	93.9	Very high	55 Å²	55	26.8 Å²	26.8	21%	0.208	15%	0.152	C	C	.	.	H	α-helix	trans	-69.5	-29	178.8	-59.3	166.8	-70.3	176.9	-4	112.1	D221 G227 Q302 D309	D221-R223 PolarHBondContact O-N 3.39Å; D221-R223 WeakPolarHBondContact OD1-CB 3.36Å; D221-R223 WeakPolarHBondContact OD1-CG 3.47Å; D221-R223 IonicContact OD1-CZ 2.71Å; D221-R223 PolarHBondContact OD1-N 2.96Å; D221-R223 IonicContact OD1-NE 3.63Å; D221-R223 PolarHBondContact OD1-NE 2.98Å; D221-R223 IonicContact OD1-NH2 2.79Å; D221-R223 IonicContact OD2-CZ 2.8Å; D221-R223 IonicContact OD2-NE 2.66Å; D221-R223 PolarHBondContact OD2-NE 3.43Å; D221-R223 IonicContact OD2-NH2 3.77Å; D221-R223 PolarHBondContact OD2-NH2 2.85Å; R223-G227 PolarHBondContact O-N 3Å; R223-Q302 HydrophobicContact CB-CB 4.26Å; R223-Q302 WeakPolarHBondContact CB-O 3.43Å; R223-D309 IonicContact CZ-OD2 2.8Å; R223-D309 IonicContact NH1-OD2 3.43Å; R223-D309 PolarHBondContact NH1-OD2 3.34Å; R223-D309 IonicContact NH2-OD2 3.9Å; R223-D309 PolarHBondContact NH2-OD2 3.35Å
224	I	95.9	Very high	94.4	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.005	14%	0.138	C	C	.	.	H	α-helix	trans	-69.2	-46.8	173	-61.8	173.7	0	0	0	109.3	D221 R222 G227 M228 M297 L307 I310 F328	D221-I224 HydrophobicContact CB-CB 4.41Å; D221-I224 HydrophobicContact CB-CD1 3.76Å; D221-I224 HydrophobicContact CB-CG1 3.9Å; D221-I224 WeakPolarHBondContact O-CB 3.47Å; D221-I224 PolarHBondContact O-N 3.5Å; R222-I224 VanDerWaalsContact C-N 3.3Å; R222-I224 PolarHBondContact O-N 2.65Å; I224-G227 PolarHBondContact O-N 3.01Å; I224-M228 WeakPolarHBondContact O-CB 3.32Å; I224-M228 PolarHBondContact O-N 2.91Å; I224-M297 HydrophobicContact CG2-CE 3.86Å; I224-L307 HydrophobicContact CD1-CD2 3.84Å; I224-L307 HydrophobicContact CD1-CG 4.03Å; I224-L307 HydrophobicContact CG1-CD2 4.41Å; I224-L307 HydrophobicContact CG1-CG 4.15Å; I224-I310 HydrophobicContact CD1-CG1 3.77Å; I224-F328 HydrophobicContact CD1-CE2 4Å; I224-F328 HydrophobicContact CD1-CZ 3.81Å
225	L	93.3	Very high	94.5	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.005	14%	0.141	C	C	.	.	H	α-helix	trans	-60	-49.8	176.9	-70.2	167.6	0	0	0	112.2	N220 D221 R222 G227 M228 F229 A333 I343	N220-L225 WeakPolarHBondContact ND2-CD2 3.32Å; D221-L225 PolarHBondContact O-N 3.49Å; R222-L225 PolarHBondContact O-N 3.47Å; L225-G227 VanDerWaalsContact C-N 3.33Å; L225-G227 PolarHBondContact O-N 2.85Å; L225-M228 HydrophobicContact CD2-CE 4.09Å; L225-M228 PolarHBondContact O-N 3.43Å; L225-F229 HydrophobicContact CB-CE2 4.29Å; L225-F229 HydrophobicContact CD2-CZ 4.46Å; L225-F229 VanDerWaalsContact O-CD2 3.24Å; L225-F229 WeakPolarHBondContact O-CD2 3.44Å; L225-F229 VanDerWaalsContact O-CG 3.26Å; L225-F229 WeakPolarHBondContact O-CG 3.32Å; L225-F229 PolarHBondContact O-N 3.45Å; L225-A333 HydrophobicContact CD1-CB 4.04Å; L225-A333 HydrophobicContact CD2-CB 4.35Å; L225-I343 HydrophobicContact CD1-CD1 3.99Å
226	D	91.4	Very high	94.3	Very high	33 Å²	33	31.7 Å²	31.7	18%	0.176	17%	0.173	C	C	.	.	H	α-helix	trans	-63.6	-41.3	179.8	-69.5	-23.1	0	0	0	111.2	R222 A230 F239	R222-D226 IonicContact CZ-OD1 2.92Å; R222-D226 IonicContact CZ-OD2 3.06Å; R222-D226 IonicContact NH1-OD1 3.47Å; R222-D226 PolarHBondContact NH1-OD1 3.41Å; R222-D226 IonicContact NH1-OD2 3.02Å; R222-D226 IonicContact NH2-OD1 3.59Å; R222-D226 PolarHBondContact NH2-OD1 2.97Å; R222-D226 VanDerWaalsContact NH2-OD1 3.14Å; R222-D226 PolarHBondContact O-N 2.89Å; D226-A230 WeakPolarHBondContact O-CB 3.44Å; D226-A230 PolarHBondContact O-N 2.97Å; D226-F239 HydrophobicContact CB-CD2 4.17Å; D226-F239 HydrophobicContact CB-CE2 4.03Å; D226-F239 VanDerWaalsContact O-CE2 3.28Å; D226-F239 WeakPolarHBondContact O-CE2 3.32Å
227	G	93.9	Very high	94	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.01	18%	0.182	C	C	.	.	H	α-helix	trans	-65.8	-40.3	175.4	0	0	0	0	0	113.4	R223 I224 L225 A230 V231 S300	R223-G227 PolarHBondContact O-N 3Å; I224-G227 PolarHBondContact O-N 3.01Å; L225-G227 VanDerWaalsContact C-N 3.33Å; L225-G227 PolarHBondContact O-N 2.85Å; G227-A230 PolarHBondContact O-N 2.72Å; G227-V231 WeakPolarHBondContact O-CG1 3.49Å; G227-V231 WeakPolarHBondContact O-CG2 3.45Å; G227-V231 PolarHBondContact O-N 2.8Å; G227-V231 VanDerWaalsContact O-N 3.09Å; G227-S300 VanDerWaalsContact CA-OG 3.27Å; G227-S300 WeakPolarHBondContact CA-OG 3.45Å
228	M	94.8	Very high	93.6	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.005	19%	0.192	C	C	.	.	H	α-helix	trans	-61.9	-49.1	175.6	179.8	-168.6	74.8	0	0	110.9	I224 L225 A230 V231 C232 I275 Y278 V279 M297 L330	I224-M228 WeakPolarHBondContact O-CB 3.32Å; I224-M228 PolarHBondContact O-N 2.91Å; L225-M228 HydrophobicContact CD2-CE 4.09Å; L225-M228 PolarHBondContact O-N 3.43Å; M228-A230 VanDerWaalsContact C-N 3.32Å; M228-A230 PolarHBondContact O-N 3.36Å; M228-V231 WeakPolarHBondContact O-CG2 3.37Å; M228-V231 PolarHBondContact O-N 3.47Å; M228-C232 WeakPolarHBondContact O-CB 3.28Å; M228-C232 PolarHBondContact O-N 2.81Å; M228-C232 PolarHBondContact O-SG 2.8Å; M228-I275 HydrophobicContact CE-CG2 4.47Å; M228-Y278 HydrophobicContact CG-CD2 3.84Å; M228-Y278 HydrophobicContact CG-CG 3.98Å; M228-Y278 WeakPolarHBondContact SD-CB 3.47Å; M228-Y278 HydrophobicContact SD-CD2 4.38Å; M228-Y278 HydrophobicContact SD-CG 4.07Å; M228-V279 HydrophobicContact CE-CG1 3.99Å; M228-V279 HydrophobicContact SD-CG1 4.37Å; M228-M297 HydrophobicContact CB-CE 4.1Å; M228-M297 HydrophobicContact CB-SD 4Å; M228-M297 HydrophobicContact CG-SD 4.36Å; M228-L330 HydrophobicContact SD-CD2 4.24Å
229	F	94.3	Very high	93.2	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-60.8	-41.4	177.3	-66.2	-31.3	0	0	0	112.2	L225 V231 C232 G233 V234 F239 I242 C243 V246 I275	L225-F229 HydrophobicContact CB-CE2 4.29Å; L225-F229 HydrophobicContact CD2-CZ 4.46Å; L225-F229 VanDerWaalsContact O-CD2 3.24Å; L225-F229 WeakPolarHBondContact O-CD2 3.44Å; L225-F229 VanDerWaalsContact O-CG 3.26Å; L225-F229 WeakPolarHBondContact O-CG 3.32Å; L225-F229 PolarHBondContact O-N 3.45Å; F229-V231 PolarHBondContact O-N 3.01Å; F229-C232 PolarHBondContact O-N 2.94Å; F229-G233 PolarHBondContact O-N 3.28Å; F229-V234 HydrophobicContact CB-CB 3.92Å; F229-V234 HydrophobicContact CB-CG1 4.46Å; F229-V234 HydrophobicContact CB-CG2 3.82Å; F229-V234 HydrophobicContact CD1-CG2 4.23Å; F229-V234 HydrophobicContact CG-CG2 4.3Å; F229-V234 WeakPolarHBondContact O-CB 3.49Å; F229-V234 WeakPolarHBondContact O-CG2 3.29Å; F229-V234 PolarHBondContact O-N 3.38Å; F229-F239 HydrophobicContact CB-CD1 4.39Å; F229-F239 HydrophobicContact CB-CE1 4.18Å; F229-F239 HydrophobicContact CB-CE2 4.29Å; F229-F239 HydrophobicContact CB-CZ 4.13Å; F229-I242 HydrophobicContact CD1-CG2 4.19Å; F229-I242 HydrophobicContact CE1-CG2 3.85Å; F229-I242 HydrophobicContact CZ-CG2 4.07Å; F229-C243 HydrophobicContact CE2-CB 3.95Å; F229-C243 HydrophobicContact CZ-CB 4.48Å; F229-V246 HydrophobicContact CE1-CG2 3.98Å; F229-V246 HydrophobicContact CZ-CG2 3.87Å; F229-I275 HydrophobicContact CD1-CD1 4.04Å; F229-I275 HydrophobicContact CD1-CG1 4.15Å; F229-I275 HydrophobicContact CE1-CD1 4.26Å; F229-I275 HydrophobicContact CE1-CG1 4.4Å; F229-I275 HydrophobicContact CE1-CG2 4.27Å
230	A	93.8	Very high	92.6	Very high	51 Å²	51	40.2 Å²	40.2	42%	0.421	22%	0.216	S	C	.	.	H	α-helix	trans	-60.3	-45.5	176.4	0	0	0	0	0	112.2	D226 G227 M228 C232 G233 F239	D226-A230 WeakPolarHBondContact O-CB 3.44Å; D226-A230 PolarHBondContact O-N 2.97Å; G227-A230 PolarHBondContact O-N 2.72Å; M228-A230 VanDerWaalsContact C-N 3.32Å; M228-A230 PolarHBondContact O-N 3.36Å; A230-C232 VanDerWaalsContact C-N 3.31Å; A230-C232 PolarHBondContact O-N 3.33Å; A230-G233 PolarHBondContact O-N 3.37Å; A230-G233 VanDerWaalsContact O-N 3.15Å; A230-F239 HydrophobicContact CB-CZ 3.97Å
231	V	94.6	Very high	92.1	Very high	33 Å²	33	42.5 Å²	42.5	20%	0.2	23%	0.23	C	C	.	.	H	α-helix	trans	-74.6	-22.3	-178.9	-58.3	0	0	0	0	113.1	G227 M228 F229 G233 R296 M297	G227-V231 WeakPolarHBondContact O-CG1 3.49Å; G227-V231 WeakPolarHBondContact O-CG2 3.45Å; G227-V231 PolarHBondContact O-N 2.8Å; G227-V231 VanDerWaalsContact O-N 3.09Å; M228-V231 WeakPolarHBondContact O-CG2 3.37Å; M228-V231 PolarHBondContact O-N 3.47Å; F229-V231 PolarHBondContact O-N 3.01Å; V231-G233 VanDerWaalsContact C-N 3.25Å; V231-R296 HydrophobicContact CB-CB 4.27Å; V231-R296 WeakPolarHBondContact CG1-O 3.4Å; V231-R296 HydrophobicContact CG2-CB 4.25Å; V231-M297 HydrophobicContact CG2-SD 3.95Å
232	C	94.3	Very high	91.8	Very high	5 Å²	5	42.5 Å²	42.5	3%	0.034	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-3.6	170.5	-67.5	0	0	0	0	113.3	M228 F229 A230 A271 Q274 I275	M228-C232 WeakPolarHBondContact O-CB 3.28Å; M228-C232 PolarHBondContact O-N 2.81Å; M228-C232 PolarHBondContact O-SG 2.8Å; F229-C232 PolarHBondContact O-N 2.94Å; A230-C232 VanDerWaalsContact C-N 3.31Å; A230-C232 PolarHBondContact O-N 3.33Å; C232-A271 WeakPolarHBondContact O-CA 3.17Å; C232-A271 WeakPolarHBondContact O-CB 3.48Å; C232-Q274 HydrophobicContact CB-CB 4.23Å; C232-I275 HydrophobicContact CB-CG1 3.92Å
233	G	93	Very high	91.6	Very high	51 Å²	51	41.2 Å²	41.2	53%	0.526	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.4	21.9	178.9	0	0	0	0	0	114.7	F229 A230 V231	F229-G233 PolarHBondContact O-N 3.28Å; A230-G233 PolarHBondContact O-N 3.37Å; A230-G233 VanDerWaalsContact O-N 3.15Å; V231-G233 VanDerWaalsContact C-N 3.25Å
234	V	93.9	Very high	91.2	Very high	8 Å²	8	41 Å²	41	5%	0.048	23%	0.233	C	C	.	.			trans	-68.2	134.6	170.6	-175.1	0	0	0	0	108.8	F229 K238 F239 I242 L267 I275	F229-V234 HydrophobicContact CB-CB 3.92Å; F229-V234 HydrophobicContact CB-CG1 4.46Å; F229-V234 HydrophobicContact CB-CG2 3.82Å; F229-V234 HydrophobicContact CD1-CG2 4.23Å; F229-V234 HydrophobicContact CG-CG2 4.3Å; F229-V234 WeakPolarHBondContact O-CB 3.49Å; F229-V234 WeakPolarHBondContact O-CG2 3.29Å; F229-V234 PolarHBondContact O-N 3.38Å; V234-K238 HydrophobicContact CG1-CB 4.23Å; V234-F239 HydrophobicContact CB-CD1 4.24Å; V234-F239 HydrophobicContact CB-CE1 3.99Å; V234-F239 HydrophobicContact CG1-CD1 3.77Å; V234-F239 HydrophobicContact CG1-CE1 4.03Å; V234-F239 WeakPolarHBondContact O-CE1 3.41Å; V234-I242 HydrophobicContact CG1-CB 4.45Å; V234-I242 HydrophobicContact CG1-CG1 3.95Å; V234-L267 HydrophobicContact CB-CD1 4.37Å; V234-L267 HydrophobicContact CG1-CD1 4.23Å; V234-L267 HydrophobicContact CG2-CD1 4.09Å; V234-L267 HydrophobicContact CG2-CD2 4.37Å; V234-I275 HydrophobicContact CG2-CD1 3.72Å
235	P	92	Very high	90.8	Very high	56 Å²	56	41 Å²	41	36%	0.364	23%	0.233	S	C	.	.			trans	-70.3	140.2	171.3	-22.8	35.4	0	0	0	112.7	D237 K238 F239	P235-D237 WeakPolarHBondContact CB-OD1 3.39Å; P235-D237 PolarHBondContact O-N 3.08Å; P235-D237 VanDerWaalsContact O-N 3.13Å; P235-K238 HydrophobicContact CB-CG 4.44Å; P235-K238 HydrophobicContact CG-CD 4.35Å; P235-K238 WeakPolarHBondContact O-CA 3.28Å; P235-K238 PolarHBondContact O-N 3.28Å; P235-F239 VanDerWaalsContact O-CD1 3.23Å; P235-F239 WeakPolarHBondContact O-CD1 3.19Å; P235-F239 PolarHBondContact O-N 3.43Å
236	D	88.3	Confident	90.7	Very high	134 Å²	134	40.9 Å²	40.9	72%	0.717	23%	0.233	S	C	*	.	G	3₁₀ helix	trans	-51.7	-38.1	-177.3	-70.4	-0.6	0	0	0	113.9	K238 F239	D236-K238 PolarHBondContact O-N 3.45Å; D236-F239 PolarHBondContact O-N 3.19Å
237	D	88.4	Confident	90.4	Very high	132 Å²	132	40.9 Å²	40.9	71%	0.706	23%	0.233	S	C	*	.	G	3₁₀ helix	trans	-68.1	-16.9	179.2	65.6	-55.4	0	0	0	113.4	P235	P235-D237 WeakPolarHBondContact CB-OD1 3.39Å; P235-D237 PolarHBondContact O-N 3.08Å; P235-D237 VanDerWaalsContact O-N 3.13Å
238	K	89.3	Confident	90.1	Very high	49 Å²	49	44.2 Å²	44.2	21%	0.213	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-101.8	-3.7	178.8	-59.6	-169.2	-177.8	-166.9	0	114	V234 P235 D236 R240 T241 I242 K265 G266	V234-K238 HydrophobicContact CG1-CB 4.23Å; P235-K238 HydrophobicContact CB-CG 4.44Å; P235-K238 HydrophobicContact CG-CD 4.35Å; P235-K238 WeakPolarHBondContact O-CA 3.28Å; P235-K238 PolarHBondContact O-N 3.28Å; D236-K238 PolarHBondContact O-N 3.45Å; K238-R240 VanDerWaalsContact C-N 3.3Å; K238-R240 PolarHBondContact O-N 3.01Å; K238-T241 PolarHBondContact O-N 3.22Å; K238-T241 PolarHBondContact O-OG1 2.93Å; K238-I242 HydrophobicContact CB-CG1 4.25Å; K238-I242 WeakPolarHBondContact O-CG1 3.36Å; K238-I242 PolarHBondContact O-N 3.43Å; K238-K265 PolarHBondContact NZ-O 3.36Å; K238-G266 PolarHBondContact NZ-O 3.04Å
239	F	87.6	Confident	89.7	Confident	27 Å²	27	46.1 Å²	46.1	12%	0.118	26%	0.257	C	S	.	.	H	α-helix	trans	-55.3	-45.3	-175.1	-86.8	34.4	0	0	0	112.6	D226 F229 A230 V234 P235 D236 C243	D226-F239 HydrophobicContact CB-CD2 4.17Å; D226-F239 HydrophobicContact CB-CE2 4.03Å; D226-F239 VanDerWaalsContact O-CE2 3.28Å; D226-F239 WeakPolarHBondContact O-CE2 3.32Å; F229-F239 HydrophobicContact CB-CD1 4.39Å; F229-F239 HydrophobicContact CB-CE1 4.18Å; F229-F239 HydrophobicContact CB-CE2 4.29Å; F229-F239 HydrophobicContact CB-CZ 4.13Å; A230-F239 HydrophobicContact CB-CZ 3.97Å; V234-F239 HydrophobicContact CB-CD1 4.24Å; V234-F239 HydrophobicContact CB-CE1 3.99Å; V234-F239 HydrophobicContact CG1-CD1 3.77Å; V234-F239 HydrophobicContact CG1-CE1 4.03Å; V234-F239 WeakPolarHBondContact O-CE1 3.41Å; P235-F239 VanDerWaalsContact O-CD1 3.23Å; P235-F239 WeakPolarHBondContact O-CD1 3.19Å; P235-F239 PolarHBondContact O-N 3.43Å; D236-F239 PolarHBondContact O-N 3.19Å; F239-C243 WeakPolarHBondContact O-CB 3.5Å; F239-C243 PolarHBondContact O-N 3.4Å
240	R	83.7	Confident	88.9	Confident	170 Å²	170	49.4 Å²	49.4	64%	0.642	28%	0.275	S	S	*	.	H	α-helix	trans	-66.7	-43	-178.5	-64.4	-172.5	-175.1	-177.3	1.8	112.4	K238 C243 S244 D337	K238-R240 VanDerWaalsContact C-N 3.3Å; K238-R240 PolarHBondContact O-N 3.01Å; R240-C243 PolarHBondContact O-N 3.39Å; R240-S244 WeakPolarHBondContact O-CB 3.37Å; R240-S244 PolarHBondContact O-N 3.42Å; R240-D337 IonicContact NH1-OD2 2.72Å
241	T	87.3	Confident	88.3	Confident	49 Å²	49	54.4 Å²	54.4	30%	0.301	29%	0.287	S	S	.	.	H	α-helix	trans	-69.2	-38.8	-178.8	53.9	0	0	0	0	111	K238 S244 T245	K238-T241 PolarHBondContact O-N 3.22Å; K238-T241 PolarHBondContact O-OG1 2.93Å; T241-S244 PolarHBondContact O-N 3.24Å; T241-T245 PolarHBondContact O-N 3.49Å; T241-T245 PolarHBondContact O-OG1 3.02Å; T241-T245 VanDerWaalsContact O-OG1 3.09Å
242	I	90.4	Very high	87.9	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-68.1	-42.4	174.4	-61.8	-55.2	0	0	0	111.5	F229 V234 K238 S244 T245 V246 M261 K265 L267 I275	F229-I242 HydrophobicContact CD1-CG2 4.19Å; F229-I242 HydrophobicContact CE1-CG2 3.85Å; F229-I242 HydrophobicContact CZ-CG2 4.07Å; V234-I242 HydrophobicContact CG1-CB 4.45Å; V234-I242 HydrophobicContact CG1-CG1 3.95Å; K238-I242 HydrophobicContact CB-CG1 4.25Å; K238-I242 WeakPolarHBondContact O-CG1 3.36Å; K238-I242 PolarHBondContact O-N 3.43Å; I242-S244 VanDerWaalsContact C-N 3.3Å; I242-S244 PolarHBondContact O-N 3.38Å; I242-T245 PolarHBondContact O-N 2.96Å; I242-T245 VanDerWaalsContact O-N 3.07Å; I242-V246 HydrophobicContact CG2-CG2 4.45Å; I242-V246 WeakPolarHBondContact O-CG2 3.36Å; I242-V246 PolarHBondContact O-N 2.95Å; I242-M261 HydrophobicContact CD1-CB 4.26Å; I242-M261 HydrophobicContact CD1-CG 4.08Å; I242-M261 HydrophobicContact CG2-CE 4.2Å; I242-K265 HydrophobicContact CD1-CB 3.93Å; I242-K265 HydrophobicContact CD1-CG 4.27Å; I242-L267 HydrophobicContact CD1-CB 4.24Å; I242-L267 HydrophobicContact CD1-CD2 4Å; I242-L267 HydrophobicContact CG1-CD2 4.46Å; I242-I275 HydrophobicContact CG2-CD1 3.99Å
243	C	88.5	Confident	87.7	Confident	8 Å²	8	58.9 Å²	58.9	5%	0.054	31%	0.313	C	S	.	.	H	α-helix	trans	-56.4	-44.1	173.9	-165	0	0	0	0	111.7	F229 F239 R240 T245 V246 D247 A333	F229-C243 HydrophobicContact CE2-CB 3.95Å; F229-C243 HydrophobicContact CZ-CB 4.48Å; F239-C243 WeakPolarHBondContact O-CB 3.5Å; F239-C243 PolarHBondContact O-N 3.4Å; R240-C243 PolarHBondContact O-N 3.39Å; C243-T245 VanDerWaalsContact C-N 3.33Å; C243-T245 PolarHBondContact O-N 3.05Å; C243-V246 PolarHBondContact O-N 3.46Å; C243-D247 PolarHBondContact O-N 3.27Å; C243-A333 PolarHBondContact SG-O 3.4Å; C243-A333 VanDerWaalsContact SG-O 3.37Å
244	S	86.1	Confident	87.7	Confident	51 Å²	51	59.8 Å²	59.8	36%	0.357	30%	0.301	S	S	.	.	H	α-helix	trans	-62.1	-37.9	174.8	178.4	0	0	0	0	112.7	R240 T241 I242	R240-S244 WeakPolarHBondContact O-CB 3.37Å; R240-S244 PolarHBondContact O-N 3.42Å; T241-S244 PolarHBondContact O-N 3.24Å; I242-S244 VanDerWaalsContact C-N 3.3Å; I242-S244 PolarHBondContact O-N 3.38Å
245	T	88.8	Confident	87.6	Confident	0 Å²	0	66.9 Å²	66.9	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-70.9	-38.9	175.6	-56.6	0	0	0	0	111.8	T241 I242 C243 D247 K248 V257 E260 M261	T241-T245 PolarHBondContact O-N 3.49Å; T241-T245 PolarHBondContact O-OG1 3.02Å; T241-T245 VanDerWaalsContact O-OG1 3.09Å; I242-T245 PolarHBondContact O-N 2.96Å; I242-T245 VanDerWaalsContact O-N 3.07Å; C243-T245 VanDerWaalsContact C-N 3.33Å; C243-T245 PolarHBondContact O-N 3.05Å; T245-D247 PolarHBondContact O-N 3.02Å; T245-K248 WeakPolarHBondContact O-CB 3.41Å; T245-K248 PolarHBondContact O-N 3.42Å; T245-V257 HydrophobicContact CG2-CG1 3.91Å; T245-V257 WeakPolarHBondContact CG2-O 3.47Å; T245-V257 WeakPolarHBondContact O-CG1 3.47Å; T245-E260 HydrophobicContact CG2-CB 3.81Å; T245-E260 HydrophobicContact CG2-CG 3.85Å; T245-E260 PolarHBondContact OG1-OE1 3.3Å; T245-M261 HydrophobicContact CG2-CE 4.12Å; T245-M261 HydrophobicContact CG2-CG 3.62Å
246	V	90.1	Very high	87.7	Confident	0 Å²	0	69.3 Å²	69.3	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-61.6	-40.6	174	173.5	0	0	0	0	111.8	F229 I242 C243 K248 L249 M261 I275 V279 A333	F229-V246 HydrophobicContact CE1-CG2 3.98Å; F229-V246 HydrophobicContact CZ-CG2 3.87Å; I242-V246 HydrophobicContact CG2-CG2 4.45Å; I242-V246 WeakPolarHBondContact O-CG2 3.36Å; I242-V246 PolarHBondContact O-N 2.95Å; C243-V246 PolarHBondContact O-N 3.46Å; V246-K248 PolarHBondContact O-N 3.39Å; V246-L249 HydrophobicContact CG1-CD1 4.06Å; V246-L249 VanDerWaalsContact O-CB 3.28Å; V246-L249 WeakPolarHBondContact O-CB 3.32Å; V246-L249 WeakPolarHBondContact O-CG 3.38Å; V246-L249 PolarHBondContact O-N 2.94Å; V246-M261 HydrophobicContact CB-CE 4.4Å; V246-M261 HydrophobicContact CG2-CE 3.32Å; V246-I275 HydrophobicContact CG2-CG2 4.24Å; V246-V279 HydrophobicContact CG1-CG1 3.95Å; V246-V279 HydrophobicContact CG2-CG1 4.45Å; V246-A333 HydrophobicContact CB-CB 4.08Å; V246-A333 HydrophobicContact CG1-CB 3.81Å
247	D	86.2	Confident	88	Confident	33 Å²	33	62.9 Å²	62.9	18%	0.176	31%	0.306	C	S	.	.	H	α-helix	trans	-57.2	-24.9	178.8	-167.5	62.2	0	0	0	112.4	C243 T245 L249 D250 A333 R334	C243-D247 PolarHBondContact O-N 3.27Å; T245-D247 PolarHBondContact O-N 3.02Å; D247-L249 PolarHBondContact O-N 3.49Å; D247-D250 PolarHBondContact O-N 3.09Å; D247-A333 HydrophobicContact CB-CB 4.36Å; D247-R334 WeakPolarHBondContact OD1-CA 3.23Å; D247-R334 PolarHBondContact OD1-N 3.23Å
248	K	87.2	Confident	88.3	Confident	70 Å²	70	59.2 Å²	59.2	30%	0.304	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	-73.1	-9.6	177	-58.5	174.8	-177.5	175.2	0	113.9	T245 V246 D250 K251 L252 V257 E260	T245-K248 WeakPolarHBondContact O-CB 3.41Å; T245-K248 PolarHBondContact O-N 3.42Å; V246-K248 PolarHBondContact O-N 3.39Å; K248-D250 PolarHBondContact O-N 3.05Å; K248-D250 VanDerWaalsContact O-N 3.1Å; K248-K251 PolarHBondContact O-N 2.8Å; K248-L252 HydrophobicContact CB-CD1 4.04Å; K248-L252 HydrophobicContact CB-CG 4.32Å; K248-L252 HydrophobicContact CD-CD1 4.21Å; K248-L252 WeakPolarHBondContact O-CB 3.38Å; K248-L252 PolarHBondContact O-N 2.92Å; K248-V257 HydrophobicContact CB-CG2 4.36Å; K248-E260 WeakPolarHBondContact CD-OE2 3.41Å; K248-E260 IonicContact NZ-OE1 2.89Å; K248-E260 PolarHBondContact NZ-OE1 3.25Å; K248-E260 IonicContact NZ-OE2 2.79Å; K248-E260 PolarHBondContact NZ-OE2 3.29Å
249	L	85.9	Confident	88.6	Confident	41 Å²	41	63.1 Å²	63.1	22%	0.215	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-61.3	-15.2	173.4	-72.4	169.9	0	0	0	112.7	V246 D247 K251 W254 V257 V279	V246-L249 HydrophobicContact CG1-CD1 4.06Å; V246-L249 VanDerWaalsContact O-CB 3.28Å; V246-L249 WeakPolarHBondContact O-CB 3.32Å; V246-L249 WeakPolarHBondContact O-CG 3.38Å; V246-L249 PolarHBondContact O-N 2.94Å; D247-L249 PolarHBondContact O-N 3.49Å; L249-K251 PolarHBondContact O-N 3.14Å; L249-W254 HydrophobicContact CD1-CE3 4.3Å; L249-W254 HydrophobicContact CD1-CZ3 4.46Å; L249-W254 HydrophobicContact CD2-CB 4.38Å; L249-W254 HydrophobicContact CD2-CE3 3.86Å; L249-V257 HydrophobicContact CD2-CB 3.81Å; L249-V257 HydrophobicContact CD2-CG1 3.95Å; L249-V257 HydrophobicContact CD2-CG2 3.56Å; L249-V257 HydrophobicContact CG-CB 4.34Å; L249-V257 HydrophobicContact CG-CG1 4.03Å; L249-V257 HydrophobicContact CG-CG2 3.96Å; L249-V279 HydrophobicContact CD1-CB 3.95Å; L249-V279 HydrophobicContact CD1-CG2 3.66Å
250	D	77.4	Confident	88.9	Confident	70 Å²	70	62.8 Å²	62.8	37%	0.374	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-67.3	-20.6	171.5	79.8	-30.1	0	0	0	113.8	D247 K248	D247-D250 PolarHBondContact O-N 3.09Å; K248-D250 PolarHBondContact O-N 3.05Å; K248-D250 VanDerWaalsContact O-N 3.1Å
251	K	80.9	Confident	89.4	Confident	155 Å²	155	54.7 Å²	54.7	67%	0.674	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-130.8	-29.2	-173.2	-71.4	169.9	-161.1	93.6	0	113.9	K248 L249	K248-K251 PolarHBondContact O-N 2.8Å; L249-K251 PolarHBondContact O-N 3.14Å
252	L	86.2	Confident	89.8	Confident	60 Å²	60	53.5 Å²	53.5	31%	0.314	26%	0.259	S	S	.	.	S	Bend	trans	-113.2	143.4	-174.1	-57.1	-175.9	0	0	0	110.1	K248 E256 V257	K248-L252 HydrophobicContact CB-CD1 4.04Å; K248-L252 HydrophobicContact CB-CG 4.32Å; K248-L252 HydrophobicContact CD-CD1 4.21Å; K248-L252 WeakPolarHBondContact O-CB 3.38Å; K248-L252 PolarHBondContact O-N 2.92Å; L252-E256 HydrophobicContact CB-CB 4.4Å; L252-V257 HydrophobicContact CB-CG2 3.98Å
253	P	91.3	Very high	90	Very high	73 Å²	73	58.7 Å²	58.7	47%	0.474	29%	0.287	S	S	.	.			trans	-66.9	154.4	174.5	29.6	-34.5	0	0	0	111	Q255 E256 V257	P253-Q255 PolarHBondContact O-N 3.07Å; P253-E256 HydrophobicContact CG-CB 4.32Å; P253-E256 HydrophobicContact CG-CG 3.95Å; P253-E256 PolarHBondContact O-N 3.44Å; P253-V257 PolarHBondContact O-N 2.77Å
254	W	91.8	Very high	90.3	Very high	69 Å²	69	65.1 Å²	65.1	26%	0.261	32%	0.316	S	S	.	.	H	α-helix	trans	-48.9	-38.6	179.4	171.6	-110.2	0	0	0	113.5	L249 E256 V257 R258 M261 A272 I275 V279	L249-W254 HydrophobicContact CD1-CE3 4.3Å; L249-W254 HydrophobicContact CD1-CZ3 4.46Å; L249-W254 HydrophobicContact CD2-CB 4.38Å; L249-W254 HydrophobicContact CD2-CE3 3.86Å; W254-E256 VanDerWaalsContact C-N 3.33Å; W254-E256 PolarHBondContact O-N 2.85Å; W254-V257 HydrophobicContact CE3-CG1 4.49Å; W254-V257 HydrophobicContact CZ3-CG1 4.35Å; W254-V257 PolarHBondContact O-N 2.82Å; W254-R258 HydrophobicContact CZ2-CB 4.09Å; W254-R258 HydrophobicContact CZ2-CG 4.29Å; W254-R258 VanDerWaalsContact O-CB 3.32Å; W254-R258 WeakPolarHBondContact O-CB 3.27Å; W254-R258 PolarHBondContact O-N 2.79Å; W254-M261 HydrophobicContact CH2-SD 4.41Å; W254-A272 WeakPolarHBondContact CH2-O 3.45Å; W254-A272 WeakPolarHBondContact CZ2-O 3.33Å; W254-I275 HydrophobicContact CH2-CB 4.4Å; W254-I275 HydrophobicContact CH2-CG2 4.23Å; W254-I275 HydrophobicContact CZ3-CG2 4.45Å; W254-V279 HydrophobicContact CE3-CG2 3.96Å; W254-V279 HydrophobicContact CH2-CG2 4.46Å; W254-V279 HydrophobicContact CZ3-CG2 3.64Å
255	Q	93.2	Very high	90.5	Very high	157 Å²	157	65.8 Å²	65.8	73%	0.734	31%	0.313	S	S	*	.	H	α-helix	trans	-61.3	-39.4	-179	-67.4	170.5	-7.7	0	0	112.8	P253 K259	P253-Q255 PolarHBondContact O-N 3.07Å; Q255-K259 WeakPolarHBondContact O-CB 3.12Å; Q255-K259 PolarHBondContact O-N 3.06Å; Q255-K259 VanDerWaalsContact O-N 3.08Å
256	E	93.9	Very high	90.7	Very high	107 Å²	107	68 Å²	68	50%	0.5	34%	0.336	S	S	.	.	H	α-helix	trans	-74.1	-39.9	177.5	-70.3	-172	-179.6	0	0	111.4	L252 P253 W254 K259 E260	L252-E256 HydrophobicContact CB-CB 4.4Å; P253-E256 HydrophobicContact CG-CB 4.32Å; P253-E256 HydrophobicContact CG-CG 3.95Å; P253-E256 PolarHBondContact O-N 3.44Å; W254-E256 VanDerWaalsContact C-N 3.33Å; W254-E256 PolarHBondContact O-N 2.85Å; E256-K259 WeakPolarHBondContact O-CB 3.1Å; E256-K259 PolarHBondContact O-N 3.27Å; E256-E260 PolarHBondContact O-N 3.09Å
257	V	93.3	Very high	90.9	Very high	0 Å²	0	68.4 Å²	68.4	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-62.4	-46.9	175.9	172.7	0	0	0	0	111	T245 K248 L249 L252 P253 W254 K259 E260 M261	T245-V257 HydrophobicContact CG2-CG1 3.91Å; T245-V257 WeakPolarHBondContact CG2-O 3.47Å; T245-V257 WeakPolarHBondContact O-CG1 3.47Å; K248-V257 HydrophobicContact CB-CG2 4.36Å; L249-V257 HydrophobicContact CD2-CB 3.81Å; L249-V257 HydrophobicContact CD2-CG1 3.95Å; L249-V257 HydrophobicContact CD2-CG2 3.56Å; L249-V257 HydrophobicContact CG-CB 4.34Å; L249-V257 HydrophobicContact CG-CG1 4.03Å; L249-V257 HydrophobicContact CG-CG2 3.96Å; L252-V257 HydrophobicContact CB-CG2 3.98Å; P253-V257 PolarHBondContact O-N 2.77Å; W254-V257 HydrophobicContact CE3-CG1 4.49Å; W254-V257 HydrophobicContact CZ3-CG1 4.35Å; W254-V257 PolarHBondContact O-N 2.82Å; V257-K259 VanDerWaalsContact C-N 3.32Å; V257-K259 PolarHBondContact O-N 2.91Å; V257-E260 PolarHBondContact O-N 2.86Å; V257-M261 HydrophobicContact CG1-CE 3.63Å; V257-M261 HydrophobicContact CG1-SD 4.44Å; V257-M261 WeakPolarHBondContact O-CG 3.2Å; V257-M261 PolarHBondContact O-N 3.46Å
258	R	95.3	Very high	91.4	Very high	55 Å²	55	69.6 Å²	69.6	21%	0.208	35%	0.349	C	S	.	.	H	α-helix	trans	-57.7	-45.9	174.3	-175.1	-167.3	-175.4	-89.8	6.2	111	W254 E260 M261 V262 E269 A272 D273	W254-R258 HydrophobicContact CZ2-CB 4.09Å; W254-R258 HydrophobicContact CZ2-CG 4.29Å; W254-R258 VanDerWaalsContact O-CB 3.32Å; W254-R258 WeakPolarHBondContact O-CB 3.27Å; W254-R258 PolarHBondContact O-N 2.79Å; R258-E260 VanDerWaalsContact C-N 3.34Å; R258-E260 PolarHBondContact O-N 3.44Å; R258-M261 WeakPolarHBondContact O-CB 3.38Å; R258-M261 PolarHBondContact O-N 3.42Å; R258-V262 HydrophobicContact CG-CG2 4.49Å; R258-V262 WeakPolarHBondContact O-CG2 3.41Å; R258-V262 PolarHBondContact O-N 3.19Å; R258-E269 IonicContact CZ-OE2 3.93Å; R258-E269 IonicContact NH1-OE2 3.47Å; R258-E269 PolarHBondContact NH1-OE2 3.37Å; R258-E269 IonicContact NH2-OE2 2.83Å; R258-E269 PolarHBondContact NH2-OE2 3.2Å; R258-A272 HydrophobicContact CG-CB 4.06Å; R258-D273 IonicContact CZ-OD1 3.97Å; R258-D273 IonicContact CZ-OD2 2.69Å; R258-D273 IonicContact NE-OD1 3.68Å; R258-D273 PolarHBondContact NE-OD1 2.79Å; R258-D273 IonicContact NE-OD2 2.78Å; R258-D273 IonicContact NH2-OD1 3.54Å; R258-D273 PolarHBondContact NH2-OD1 3.05Å; R258-D273 IonicContact NH2-OD2 2.73Å; R258-D273 PolarHBondContact NH2-OD2 3.22Å
259	K	95.4	Very high	91.8	Very high	130 Å²	130	71.2 Å²	71.2	57%	0.565	36%	0.358	S	S	*	.	H	α-helix	trans	-59.2	-45	178.7	-171.9	-176.5	178	-177.2	0	111.5	Q255 E256 V257 M261 V262 D263	Q255-K259 WeakPolarHBondContact O-CB 3.12Å; Q255-K259 PolarHBondContact O-N 3.06Å; Q255-K259 VanDerWaalsContact O-N 3.08Å; E256-K259 WeakPolarHBondContact O-CB 3.1Å; E256-K259 PolarHBondContact O-N 3.27Å; V257-K259 VanDerWaalsContact C-N 3.32Å; V257-K259 PolarHBondContact O-N 2.91Å; K259-M261 PolarHBondContact O-N 3.08Å; K259-V262 PolarHBondContact O-N 3.27Å; K259-D263 WeakPolarHBondContact CE-OD2 3.41Å; K259-D263 HydrophobicContact CG-CB 4.45Å; K259-D263 WeakPolarHBondContact CG-OD2 3.44Å; K259-D263 VanDerWaalsContact O-CB 3.25Å; K259-D263 WeakPolarHBondContact O-CB 3.1Å; K259-D263 PolarHBondContact O-N 3.2Å
260	E	94	Very high	92.3	Very high	20 Å²	20	75.4 Å²	75.4	9%	0.093	38%	0.376	C	S	.	.	I	π-helix	trans	-61.7	-43.7	176.1	-175.3	-176	141.3	0	0	111.8	T245 K248 E256 V257 R258 V262 E264 K265	T245-E260 HydrophobicContact CG2-CB 3.81Å; T245-E260 HydrophobicContact CG2-CG 3.85Å; T245-E260 PolarHBondContact OG1-OE1 3.3Å; K248-E260 WeakPolarHBondContact CD-OE2 3.41Å; K248-E260 IonicContact NZ-OE1 2.89Å; K248-E260 PolarHBondContact NZ-OE1 3.25Å; K248-E260 IonicContact NZ-OE2 2.79Å; K248-E260 PolarHBondContact NZ-OE2 3.29Å; E256-E260 PolarHBondContact O-N 3.09Å; V257-E260 PolarHBondContact O-N 2.86Å; R258-E260 VanDerWaalsContact C-N 3.34Å; R258-E260 PolarHBondContact O-N 3.44Å; E260-V262 VanDerWaalsContact C-N 3.34Å; E260-V262 PolarHBondContact O-N 2.67Å; E260-E264 HydrophobicContact CG-CB 4.27Å; E260-E264 HydrophobicContact CG-CG 4.41Å; E260-E264 WeakPolarHBondContact O-CB 3.33Å; E260-E264 PolarHBondContact O-N 3.09Å; E260-E264 VanDerWaalsContact O-N 3.09Å; E260-K265 PolarHBondContact O-N 3.14Å
261	M	93.9	Very high	93.1	Very high	0 Å²	0	72.2 Å²	72.2	0%	0	36%	0.36	C	S	.	.	I	π-helix	trans	-59.1	-43.9	177.8	-69	175	178.8	0	0	112.2	I242 T245 V246 W254 V257 R258 K259 K265 G266 L267 I275	I242-M261 HydrophobicContact CD1-CB 4.26Å; I242-M261 HydrophobicContact CD1-CG 4.08Å; I242-M261 HydrophobicContact CG2-CE 4.2Å; T245-M261 HydrophobicContact CG2-CE 4.12Å; T245-M261 HydrophobicContact CG2-CG 3.62Å; V246-M261 HydrophobicContact CB-CE 4.4Å; V246-M261 HydrophobicContact CG2-CE 3.32Å; W254-M261 HydrophobicContact CH2-SD 4.41Å; V257-M261 HydrophobicContact CG1-CE 3.63Å; V257-M261 HydrophobicContact CG1-SD 4.44Å; V257-M261 WeakPolarHBondContact O-CG 3.2Å; V257-M261 PolarHBondContact O-N 3.46Å; R258-M261 WeakPolarHBondContact O-CB 3.38Å; R258-M261 PolarHBondContact O-N 3.42Å; K259-M261 PolarHBondContact O-N 3.08Å; M261-K265 CarbonylContact O-C 3.58Å; M261-K265 WeakPolarHBondContact O-CB 3.47Å; M261-G266 PolarHBondContact O-N 2.78Å; M261-L267 HydrophobicContact CB-CB 4.4Å; M261-L267 HydrophobicContact CB-CD2 4.29Å; M261-L267 VanDerWaalsContact O-CB 3.25Å; M261-L267 WeakPolarHBondContact O-CB 3.41Å; M261-L267 PolarHBondContact O-N 3.02Å; M261-I275 HydrophobicContact CE-CG2 4.29Å; M261-I275 HydrophobicContact SD-CD1 4.49Å
262	V	95.8	Very high	93.8	Very high	24 Å²	24	64.9 Å²	64.9	15%	0.145	33%	0.328	C	S	.	.	I	π-helix	trans	-80.2	-58	-176.8	177.6	0	0	0	0	111	R258 K259 E260 G266 E269 A272	R258-V262 HydrophobicContact CG-CG2 4.49Å; R258-V262 WeakPolarHBondContact O-CG2 3.41Å; R258-V262 PolarHBondContact O-N 3.19Å; K259-V262 PolarHBondContact O-N 3.27Å; E260-V262 VanDerWaalsContact C-N 3.34Å; E260-V262 PolarHBondContact O-N 2.67Å; V262-G266 VanDerWaalsContact O-CA 3.23Å; V262-G266 WeakPolarHBondContact O-CA 3.23Å; V262-G266 PolarHBondContact O-N 2.8Å; V262-G266 VanDerWaalsContact O-N 3.14Å; V262-E269 HydrophobicContact CG1-CG 3.99Å; V262-E269 HydrophobicContact CG2-CG 4.23Å; V262-A272 HydrophobicContact CG2-CB 3.82Å
263	D	95.2	Very high	94.2	Very high	109 Å²	109	65.2 Å²	65.2	58%	0.583	33%	0.33	S	S	*	.	I	π-helix	trans	-75	-38.5	-169.1	-63.5	-5.1	0	0	0	112.4	K259	K259-D263 WeakPolarHBondContact CE-OD2 3.41Å; K259-D263 HydrophobicContact CG-CB 4.45Å; K259-D263 WeakPolarHBondContact CG-OD2 3.44Å; K259-D263 VanDerWaalsContact O-CB 3.25Å; K259-D263 WeakPolarHBondContact O-CB 3.1Å; K259-D263 PolarHBondContact O-N 3.2Å
264	E	93.6	Very high	94.4	Very high	143 Å²	143	64.4 Å²	64.4	67%	0.668	32%	0.32	S	S	*	.	I	π-helix	trans	-100.1	-38.6	-173.6	-57.3	-172.9	-171	0	0	113	E260	E260-E264 HydrophobicContact CG-CB 4.27Å; E260-E264 HydrophobicContact CG-CG 4.41Å; E260-E264 WeakPolarHBondContact O-CB 3.33Å; E260-E264 PolarHBondContact O-N 3.09Å; E260-E264 VanDerWaalsContact O-N 3.09Å
265	K	91.2	Very high	94.5	Very high	65 Å²	65	61.1 Å²	61.1	28%	0.283	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.3	-9.6	-179.6	-48.3	-56.1	-177.8	-174.5	0	113	K238 I242 E260 M261 L267	K238-K265 PolarHBondContact NZ-O 3.36Å; I242-K265 HydrophobicContact CD1-CB 3.93Å; I242-K265 HydrophobicContact CD1-CG 4.27Å; E260-K265 PolarHBondContact O-N 3.14Å; M261-K265 CarbonylContact O-C 3.58Å; M261-K265 WeakPolarHBondContact O-CB 3.47Å; K265-L267 VanDerWaalsContact C-N 3.35Å; K265-L267 PolarHBondContact O-N 3.34Å
266	G	92.9	Very high	94.5	Very high	47 Å²	47	54 Å²	54	49%	0.485	28%	0.276	S	S	.	.			trans	64.6	36.7	177.4	0	0	0	0	0	113	K238 M261 V262	K238-G266 PolarHBondContact NZ-O 3.04Å; M261-G266 PolarHBondContact O-N 2.78Å; V262-G266 VanDerWaalsContact O-CA 3.23Å; V262-G266 WeakPolarHBondContact O-CA 3.23Å; V262-G266 PolarHBondContact O-N 2.8Å; V262-G266 VanDerWaalsContact O-N 3.14Å
267	L	95.1	Very high	94.6	Very high	8 Å²	8	54.4 Å²	54.4	4%	0.042	28%	0.278	C	S	.	.			trans	-79.4	149.9	169.6	-167.8	65.8	0	0	0	109.5	V234 I242 M261 K265 A271 A272 I275	V234-L267 HydrophobicContact CB-CD1 4.37Å; V234-L267 HydrophobicContact CG1-CD1 4.23Å; V234-L267 HydrophobicContact CG2-CD1 4.09Å; V234-L267 HydrophobicContact CG2-CD2 4.37Å; I242-L267 HydrophobicContact CD1-CB 4.24Å; I242-L267 HydrophobicContact CD1-CD2 4Å; I242-L267 HydrophobicContact CG1-CD2 4.46Å; M261-L267 HydrophobicContact CB-CB 4.4Å; M261-L267 HydrophobicContact CB-CD2 4.29Å; M261-L267 VanDerWaalsContact O-CB 3.25Å; M261-L267 WeakPolarHBondContact O-CB 3.41Å; M261-L267 PolarHBondContact O-N 3.02Å; K265-L267 VanDerWaalsContact C-N 3.35Å; K265-L267 PolarHBondContact O-N 3.34Å; L267-A271 HydrophobicContact CD1-CB 3.99Å; L267-A271 HydrophobicContact CD2-CB 4.12Å; L267-A271 HydrophobicContact CG-CB 3.88Å; L267-A272 HydrophobicContact CD2-CB 4.25Å; L267-I275 HydrophobicContact CD2-CD1 3.72Å
268	S	96.3	Very high	94.7	Very high	58 Å²	58	54.9 Å²	54.9	41%	0.406	28%	0.28	S	S	.	.			trans	-68.3	150.4	174	67.4	0	0	0	0	111	E270 A271 A272	S268-E270 VanDerWaalsContact C-N 3.26Å; S268-E270 WeakPolarHBondContact CB-OE2 3.39Å; S268-E270 PolarHBondContact O-N 3.39Å; S268-A271 PolarHBondContact O-N 2.86Å; S268-A271 VanDerWaalsContact OG-CB 3.29Å; S268-A271 WeakPolarHBondContact OG-CB 3.29Å; S268-A271 PolarHBondContact OG-N 3.35Å; S268-A272 PolarHBondContact O-N 2.95Å
269	E	95.8	Very high	94.6	Very high	104 Å²	104	52.5 Å²	52.5	49%	0.486	27%	0.271	S	S	.	.	H	α-helix	trans	-59.6	-40.5	177.7	-71.5	-159.4	-148.8	0	0	111.4	R258 V262 A271 A272 D273	R258-E269 IonicContact CZ-OE2 3.93Å; R258-E269 IonicContact NH1-OE2 3.47Å; R258-E269 PolarHBondContact NH1-OE2 3.37Å; R258-E269 IonicContact NH2-OE2 2.83Å; R258-E269 PolarHBondContact NH2-OE2 3.2Å; V262-E269 HydrophobicContact CG1-CG 3.99Å; V262-E269 HydrophobicContact CG2-CG 4.23Å; E269-A271 VanDerWaalsContact C-N 3.34Å; E269-A271 PolarHBondContact O-N 3.29Å; E269-A272 PolarHBondContact O-N 3.31Å; E269-D273 WeakPolarHBondContact O-CB 3.21Å; E269-D273 VanDerWaalsContact O-CG 3.32Å; E269-D273 PolarHBondContact O-N 3.39Å
270	E	95.8	Very high	94.4	Very high	130 Å²	130	50.1 Å²	50.1	61%	0.607	27%	0.271	S	S	*	.	H	α-helix	trans	-62.7	-41.6	179.2	-59.5	77.1	-168.7	0	0	111.7	S268 Q274	S268-E270 VanDerWaalsContact C-N 3.26Å; S268-E270 WeakPolarHBondContact CB-OE2 3.39Å; S268-E270 PolarHBondContact O-N 3.39Å; E270-Q274 VanDerWaalsContact O-CG 3.22Å; E270-Q274 WeakPolarHBondContact O-CG 3.39Å; E270-Q274 PolarHBondContact O-N 3.06Å
271	A	94.7	Very high	94.5	Very high	3 Å²	3	51.6 Å²	51.6	3%	0.025	28%	0.279	C	S	.	.	H	α-helix	trans	-68.4	-41.5	177.9	0	0	0	0	0	111	C232 L267 S268 E269 Q274 I275	C232-A271 WeakPolarHBondContact O-CA 3.17Å; C232-A271 WeakPolarHBondContact O-CB 3.48Å; L267-A271 HydrophobicContact CD1-CB 3.99Å; L267-A271 HydrophobicContact CD2-CB 4.12Å; L267-A271 HydrophobicContact CG-CB 3.88Å; S268-A271 PolarHBondContact O-N 2.86Å; S268-A271 VanDerWaalsContact OG-CB 3.29Å; S268-A271 WeakPolarHBondContact OG-CB 3.29Å; S268-A271 PolarHBondContact OG-N 3.35Å; E269-A271 VanDerWaalsContact C-N 3.34Å; E269-A271 PolarHBondContact O-N 3.29Å; A271-Q274 PolarHBondContact O-N 2.83Å; A271-I275 VanDerWaalsContact O-CG1 3.25Å; A271-I275 WeakPolarHBondContact O-CG1 3.5Å; A271-I275 PolarHBondContact O-N 2.97Å
272	A	95.1	Very high	94.5	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-61.9	-44.7	176.3	0	0	0	0	0	111.6	W254 R258 V262 L267 S268 E269 Q274 I275 G276	W254-A272 WeakPolarHBondContact CH2-O 3.45Å; W254-A272 WeakPolarHBondContact CZ2-O 3.33Å; R258-A272 HydrophobicContact CG-CB 4.06Å; V262-A272 HydrophobicContact CG2-CB 3.82Å; L267-A272 HydrophobicContact CD2-CB 4.25Å; S268-A272 PolarHBondContact O-N 2.95Å; E269-A272 PolarHBondContact O-N 3.31Å; A272-Q274 PolarHBondContact O-N 3.46Å; A272-I275 WeakPolarHBondContact O-CB 3.35Å; A272-I275 PolarHBondContact O-N 3.49Å; A272-G276 PolarHBondContact O-N 3.1Å
273	D	94.9	Very high	94.5	Very high	68 Å²	68	57.4 Å²	57.4	36%	0.364	31%	0.31	S	S	.	.	H	α-helix	trans	-64.5	-40.8	179	-71.9	-31.2	0	0	0	112.1	R258 E269 I275 G276 E277	R258-D273 IonicContact CZ-OD1 3.97Å; R258-D273 IonicContact CZ-OD2 2.69Å; R258-D273 IonicContact NE-OD1 3.68Å; R258-D273 PolarHBondContact NE-OD1 2.79Å; R258-D273 IonicContact NE-OD2 2.78Å; R258-D273 IonicContact NH2-OD1 3.54Å; R258-D273 PolarHBondContact NH2-OD1 3.05Å; R258-D273 IonicContact NH2-OD2 2.73Å; R258-D273 PolarHBondContact NH2-OD2 3.22Å; E269-D273 WeakPolarHBondContact O-CB 3.21Å; E269-D273 VanDerWaalsContact O-CG 3.32Å; E269-D273 PolarHBondContact O-N 3.39Å; D273-I275 PolarHBondContact O-N 2.91Å; D273-G276 WeakPolarHBondContact O-CA 3.44Å; D273-G276 PolarHBondContact O-N 3.43Å; D273-G276 VanDerWaalsContact O-N 3.1Å; D273-E277 PolarHBondContact O-N 2.79Å; D273-E277 VanDerWaalsContact O-N 3.16Å
274	Q	94.9	Very high	94.4	Very high	56 Å²	56	53 Å²	53	26%	0.262	29%	0.29	S	S	.	.	H	α-helix	trans	-64.8	-38.3	174.4	-70.5	179.6	14.7	0	0	112.8	C232 E270 A271 A272 G276 E277 Y278 R296	C232-Q274 HydrophobicContact CB-CB 4.23Å; E270-Q274 VanDerWaalsContact O-CG 3.22Å; E270-Q274 WeakPolarHBondContact O-CG 3.39Å; E270-Q274 PolarHBondContact O-N 3.06Å; A271-Q274 PolarHBondContact O-N 2.83Å; A272-Q274 PolarHBondContact O-N 3.46Å; Q274-G276 PolarHBondContact O-N 3.39Å; Q274-E277 PolarHBondContact O-N 3.24Å; Q274-Y278 VanDerWaalsContact O-CD2 3.26Å; Q274-Y278 WeakPolarHBondContact O-CD2 3.36Å; Q274-R296 VanDerWaalsContact CD-NH1 3.27Å
275	I	94.5	Very high	94.5	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-59.3	-42.7	171.9	-69.9	165.2	0	0	0	109.5	M228 F229 C232 V234 I242 V246 W254 M261 L267 A271 A272 D273 E277 Y278 V279	M228-I275 HydrophobicContact CE-CG2 4.47Å; F229-I275 HydrophobicContact CD1-CD1 4.04Å; F229-I275 HydrophobicContact CD1-CG1 4.15Å; F229-I275 HydrophobicContact CE1-CD1 4.26Å; F229-I275 HydrophobicContact CE1-CG1 4.4Å; F229-I275 HydrophobicContact CE1-CG2 4.27Å; C232-I275 HydrophobicContact CB-CG1 3.92Å; V234-I275 HydrophobicContact CG2-CD1 3.72Å; I242-I275 HydrophobicContact CG2-CD1 3.99Å; V246-I275 HydrophobicContact CG2-CG2 4.24Å; W254-I275 HydrophobicContact CH2-CB 4.4Å; W254-I275 HydrophobicContact CH2-CG2 4.23Å; W254-I275 HydrophobicContact CZ3-CG2 4.45Å; M261-I275 HydrophobicContact CE-CG2 4.29Å; M261-I275 HydrophobicContact SD-CD1 4.49Å; L267-I275 HydrophobicContact CD2-CD1 3.72Å; A271-I275 VanDerWaalsContact O-CG1 3.25Å; A271-I275 WeakPolarHBondContact O-CG1 3.5Å; A271-I275 PolarHBondContact O-N 2.97Å; A272-I275 WeakPolarHBondContact O-CB 3.35Å; A272-I275 PolarHBondContact O-N 3.49Å; D273-I275 PolarHBondContact O-N 2.91Å; I275-E277 VanDerWaalsContact C-N 3.3Å; I275-E277 PolarHBondContact O-N 2.97Å; I275-Y278 PolarHBondContact O-N 3Å; I275-Y278 VanDerWaalsContact O-N 3.08Å; I275-V279 HydrophobicContact CG2-CG1 3.69Å; I275-V279 HydrophobicContact CG2-CG2 4.48Å; I275-V279 WeakPolarHBondContact O-CG1 3.23Å; I275-V279 WeakPolarHBondContact O-CG2 3.42Å; I275-V279 PolarHBondContact O-N 3.08Å
276	G	93.8	Very high	94.7	Very high	7 Å²	7	49.5 Å²	49.5	7%	0.072	28%	0.278	C	S	.	.	H	α-helix	trans	-54.7	-41.3	178	0	0	0	0	0	114.1	A272 D273 Q274 Y278 S280	A272-G276 PolarHBondContact O-N 3.1Å; D273-G276 WeakPolarHBondContact O-CA 3.44Å; D273-G276 PolarHBondContact O-N 3.43Å; D273-G276 VanDerWaalsContact O-N 3.1Å; Q274-G276 PolarHBondContact O-N 3.39Å; G276-Y278 VanDerWaalsContact C-N 3.32Å; G276-Y278 PolarHBondContact O-N 3.29Å; G276-S280 WeakPolarHBondContact O-CB 3.37Å; G276-S280 PolarHBondContact O-N 3.19Å; G276-S280 PolarHBondContact O-OG 2.82Å
277	E	94.9	Very high	94.9	Very high	115 Å²	115	47.3 Å²	47.3	54%	0.537	26%	0.255	S	S	.	.	H	α-helix	trans	-59.3	-42.5	176.3	-66.3	177.9	165.3	0	0	111.6	D273 Q274 I275 L281 R296	D273-E277 PolarHBondContact O-N 2.79Å; D273-E277 VanDerWaalsContact O-N 3.16Å; Q274-E277 PolarHBondContact O-N 3.24Å; I275-E277 VanDerWaalsContact C-N 3.3Å; I275-E277 PolarHBondContact O-N 2.97Å; E277-L281 WeakPolarHBondContact O-CG 3.44Å; E277-R296 IonicContact OE2-NH1 2.71Å
278	Y	95.1	Very high	94.9	Very high	10 Å²	10	46.9 Å²	46.9	4%	0.039	25%	0.253	C	S	.	.	H	α-helix	trans	-81.3	-45.8	-177.7	-70.7	-66.8	0	0	0	113.9	M228 Q274 I275 G276 S280 L281 L291 D294 M297 L330	M228-Y278 HydrophobicContact CG-CD2 3.84Å; M228-Y278 HydrophobicContact CG-CG 3.98Å; M228-Y278 WeakPolarHBondContact SD-CB 3.47Å; M228-Y278 HydrophobicContact SD-CD2 4.38Å; M228-Y278 HydrophobicContact SD-CG 4.07Å; Q274-Y278 VanDerWaalsContact O-CD2 3.26Å; Q274-Y278 WeakPolarHBondContact O-CD2 3.36Å; I275-Y278 PolarHBondContact O-N 3Å; I275-Y278 VanDerWaalsContact O-N 3.08Å; G276-Y278 VanDerWaalsContact C-N 3.32Å; G276-Y278 PolarHBondContact O-N 3.29Å; Y278-S280 PolarHBondContact O-N 2.91Å; Y278-S280 VanDerWaalsContact O-N 3.14Å; Y278-L281 HydrophobicContact CD1-CD1 4.17Å; Y278-L281 VanDerWaalsContact O-CB 3.25Å; Y278-L281 WeakPolarHBondContact O-CB 2.95Å; Y278-L281 WeakPolarHBondContact O-CG 3.25Å; Y278-L281 PolarHBondContact O-N 3.48Å; Y278-L291 HydrophobicContact CD1-CD2 4.19Å; Y278-L291 HydrophobicContact CE1-CD2 4.17Å; Y278-D294 PolarHBondContact OH-OD1 3.44Å; Y278-M297 HydrophobicContact CE1-CG 3.81Å; Y278-M297 HydrophobicContact CE1-SD 4.33Å; Y278-L330 HydrophobicContact CD1-CD2 4.46Å; Y278-L330 WeakPolarHBondContact O-CB 3.1Å
279	V	93.2	Very high	94.9	Very high	6 Å²	6	47.7 Å²	47.7	4%	0.036	25%	0.25	C	S	.	.	H	α-helix	trans	-66.9	-17.6	-175.9	-60.5	0	0	0	0	112.7	M228 V246 L249 W254 I275 L281 S331	M228-V279 HydrophobicContact CE-CG1 3.99Å; M228-V279 HydrophobicContact SD-CG1 4.37Å; V246-V279 HydrophobicContact CG1-CG1 3.95Å; V246-V279 HydrophobicContact CG2-CG1 4.45Å; L249-V279 HydrophobicContact CD1-CB 3.95Å; L249-V279 HydrophobicContact CD1-CG2 3.66Å; W254-V279 HydrophobicContact CE3-CG2 3.96Å; W254-V279 HydrophobicContact CH2-CG2 4.46Å; W254-V279 HydrophobicContact CZ3-CG2 3.64Å; I275-V279 HydrophobicContact CG2-CG1 3.69Å; I275-V279 HydrophobicContact CG2-CG2 4.48Å; I275-V279 WeakPolarHBondContact O-CG1 3.23Å; I275-V279 WeakPolarHBondContact O-CG2 3.42Å; I275-V279 PolarHBondContact O-N 3.08Å; V279-L281 VanDerWaalsContact C-N 3.25Å; V279-L281 PolarHBondContact O-N 2.96Å; V279-S331 WeakPolarHBondContact O-CB 3.05Å
280	S	92.1	Very high	95	Very high	79 Å²	79	48.7 Å²	48.7	55%	0.552	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-9.8	172.6	-57.2	0	0	0	0	113.2	G276 Y278	G276-S280 WeakPolarHBondContact O-CB 3.37Å; G276-S280 PolarHBondContact O-N 3.19Å; G276-S280 PolarHBondContact O-OG 2.82Å; Y278-S280 PolarHBondContact O-N 2.91Å; Y278-S280 VanDerWaalsContact O-N 3.14Å
281	L	95.1	Very high	95	Very high	52 Å²	52	42.8 Å²	42.8	27%	0.272	22%	0.222	S	C	.	.			trans	-85.7	128.3	-177.9	-56.3	177.1	0	0	0	111.4	E277 Y278 V279 L287 L291 L330	E277-L281 WeakPolarHBondContact O-CG 3.44Å; Y278-L281 HydrophobicContact CD1-CD1 4.17Å; Y278-L281 VanDerWaalsContact O-CB 3.25Å; Y278-L281 WeakPolarHBondContact O-CB 2.95Å; Y278-L281 WeakPolarHBondContact O-CG 3.25Å; Y278-L281 PolarHBondContact O-N 3.48Å; V279-L281 VanDerWaalsContact C-N 3.25Å; V279-L281 PolarHBondContact O-N 2.96Å; L281-L287 HydrophobicContact CB-CD1 4.09Å; L281-L287 HydrophobicContact CB-CD2 4.2Å; L281-L287 HydrophobicContact CD1-CD1 4.29Å; L281-L291 HydrophobicContact CD1-CD2 4.03Å; L281-L330 HydrophobicContact CB-CD1 4.46Å; L281-L330 PolarHBondContact O-N 3.48Å
282	H	95.4	Very high	95.1	Very high	125 Å²	125	45.1 Å²	45.1	58%	0.579	23%	0.234	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-142.5	150.9	169.7	62.3	70.8	0	0	0	110.8	L287 V327 F328 D329	H282-L287 VanDerWaalsContact C-CD2 3.5Å; H282-V327 HydrophobicContact CB-CG1 4.06Å; H282-F328 CarbonylContact C-O 3.59Å; H282-F328 WeakPolarHBondContact CA-O 3.27Å; H282-D329 HydrophobicContact CB-CB 4.23Å
283	G	95.6	Very high	95.1	Very high	20 Å²	20	52.7 Å²	52.7	21%	0.206	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	177.4	-153.7	-174.4	0	0	0	0	0	113.4	F328	G283-F328 PolarHBondContact N-O 2.9Å; G283-F328 PolarHBondContact O-N 3.35Å
284	G	93.7	Very high	95.2	Very high	17 Å²	17	51.3 Å²	51.3	18%	0.175	26%	0.262	C	S	.	.	S	Bend	trans	-116.5	-144.1	175.2	0	0	0	0	0	112.1	D286 L287	G284-D286 PolarHBondContact N-OD1 2.71Å; G284-D286 VanDerWaalsContact N-OD1 3.12Å; G284-D286 PolarHBondContact O-N 2.76Å; G284-L287 PolarHBondContact O-N 2.92Å; G284-L287 VanDerWaalsContact O-N 3.17Å
285	M	94.1	Very high	95.1	Very high	51 Å²	51	53.2 Å²	53.2	25%	0.251	28%	0.279	S	S	.	.	H	α-helix	trans	-57.7	-34	175.8	-172.6	-177.1	-70.3	0	0	112.4	L287 A288 E289 K311 F314	M285-L287 VanDerWaalsContact C-N 3.27Å; M285-L287 PolarHBondContact O-N 2.56Å; M285-A288 PolarHBondContact O-N 3.1Å; M285-E289 WeakPolarHBondContact O-CG 3.18Å; M285-E289 PolarHBondContact O-N 3.35Å; M285-E289 VanDerWaalsContact O-N 3.07Å; M285-K311 HydrophobicContact CG-CG 4.25Å; M285-K311 HydrophobicContact SD-CG 4.46Å; M285-F314 HydrophobicContact CB-CB 4.02Å; M285-F314 HydrophobicContact CB-CD1 4.4Å; M285-F314 HydrophobicContact CB-CG 4.27Å; M285-F314 HydrophobicContact CE-CB 3.56Å; M285-F314 HydrophobicContact CG-CB 4.35Å
286	D	96.4	Very high	95.1	Very high	83 Å²	83	57.6 Å²	57.6	44%	0.444	30%	0.296	S	S	.	.	H	α-helix	trans	-59.3	-36.7	178.3	70	-70.8	0	0	0	112.4	G284 E289 R290	G284-D286 PolarHBondContact N-OD1 2.71Å; G284-D286 VanDerWaalsContact N-OD1 3.12Å; G284-D286 PolarHBondContact O-N 2.76Å; D286-E289 PolarHBondContact O-N 2.75Å; D286-R290 WeakPolarHBondContact O-CG 3.34Å; D286-R290 PolarHBondContact O-N 2.66Å; D286-R290 IonicContact OD2-CZ 3.6Å; D286-R290 IonicContact OD2-NE 2.67Å; D286-R290 IonicContact OD2-NH2 3.27Å; D286-R290 PolarHBondContact OD2-NH2 2.87Å
287	L	96.9	Very high	95	Very high	1 Å²	1	57.3 Å²	57.3	1%	0.005	29%	0.293	C	S	.	.	H	α-helix	trans	-69.6	-41.5	178.7	174.7	60.8	0	0	0	110.5	L281 H282 G284 M285 E289 R290 L291 F328 L330	L281-L287 HydrophobicContact CB-CD1 4.09Å; L281-L287 HydrophobicContact CB-CD2 4.2Å; L281-L287 HydrophobicContact CD1-CD1 4.29Å; H282-L287 VanDerWaalsContact C-CD2 3.5Å; G284-L287 PolarHBondContact O-N 2.92Å; G284-L287 VanDerWaalsContact O-N 3.17Å; M285-L287 VanDerWaalsContact C-N 3.27Å; M285-L287 PolarHBondContact O-N 2.56Å; L287-E289 VanDerWaalsContact C-N 3.3Å; L287-E289 PolarHBondContact O-N 2.97Å; L287-R290 PolarHBondContact O-N 2.79Å; L287-L291 HydrophobicContact CD1-CD1 3.96Å; L287-L291 HydrophobicContact CD1-CG 3.96Å; L287-L291 HydrophobicContact CG-CD1 4.05Å; L287-L291 HydrophobicContact CG-CG 4.44Å; L287-L291 WeakPolarHBondContact O-CB 3.42Å; L287-L291 WeakPolarHBondContact O-CG 3.47Å; L287-L291 PolarHBondContact O-N 3.36Å; L287-F328 HydrophobicContact CB-CD1 4.09Å; L287-F328 HydrophobicContact CD2-CD1 3.76Å; L287-F328 HydrophobicContact CD2-CE1 4.15Å; L287-F328 HydrophobicContact CD2-CG 4.37Å; L287-F328 HydrophobicContact CG-CD1 3.82Å; L287-F328 HydrophobicContact CG-CE1 3.98Å; L287-L330 HydrophobicContact CD2-CD1 3.99Å
288	A	95.7	Very high	94.9	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-61.3	-40.5	175.6	0	0	0	0	0	111.4	M285 L291 L292 L307 I310 F328	M285-A288 PolarHBondContact O-N 3.1Å; A288-L291 PolarHBondContact O-N 2.71Å; A288-L292 WeakPolarHBondContact O-CG 3.43Å; A288-L292 PolarHBondContact O-N 3.07Å; A288-L307 HydrophobicContact CB-CD2 4.44Å; A288-I310 HydrophobicContact CB-CG2 3.91Å; A288-F328 HydrophobicContact CB-CD1 4.29Å; A288-F328 HydrophobicContact CB-CE1 4.16Å
289	E	96.2	Very high	94.8	Very high	74 Å²	74	61.2 Å²	61.2	35%	0.346	32%	0.318	S	S	.	.	H	α-helix	trans	-65.9	-41.6	176.1	-68.3	-175.1	154.6	0	0	112.9	M285 D286 L287 L292 Q293 K311	M285-E289 WeakPolarHBondContact O-CG 3.18Å; M285-E289 PolarHBondContact O-N 3.35Å; M285-E289 VanDerWaalsContact O-N 3.07Å; D286-E289 PolarHBondContact O-N 2.75Å; L287-E289 VanDerWaalsContact C-N 3.3Å; L287-E289 PolarHBondContact O-N 2.97Å; E289-L292 PolarHBondContact O-N 2.91Å; E289-Q293 PolarHBondContact O-N 3.03Å; E289-K311 HydrophobicContact CG-CD 4.15Å; E289-K311 WeakPolarHBondContact OE1-CE 3.47Å; E289-K311 IonicContact OE1-NZ 2.72Å; E289-K311 PolarHBondContact OE1-NZ 3.47Å
290	R	97.2	Very high	94.9	Very high	125 Å²	125	61.7 Å²	61.7	47%	0.472	32%	0.322	S	S	.	.	H	α-helix	trans	-63.1	-44.3	174.5	-75.4	-175.3	-67.2	116.5	-7.1	111.9	D286 L287 L292 Q293 D294	D286-R290 WeakPolarHBondContact O-CG 3.34Å; D286-R290 PolarHBondContact O-N 2.66Å; D286-R290 IonicContact OD2-CZ 3.6Å; D286-R290 IonicContact OD2-NE 2.67Å; D286-R290 IonicContact OD2-NH2 3.27Å; D286-R290 PolarHBondContact OD2-NH2 2.87Å; L287-R290 PolarHBondContact O-N 2.79Å; R290-L292 VanDerWaalsContact C-N 3.31Å; R290-L292 PolarHBondContact O-N 3.41Å; R290-Q293 CarbonylContact O-C 3.55Å; R290-Q293 PolarHBondContact O-N 3.49Å; R290-Q293 VanDerWaalsContact O-N 3.08Å; R290-D294 PolarHBondContact O-N 3.27Å; R290-D294 VanDerWaalsContact O-N 3.12Å
291	L	96.4	Very high	95.1	Very high	6 Å²	6	67 Å²	67	3%	0.031	34%	0.335	C	S	.	.	H	α-helix	trans	-69.8	-26.2	179.5	-69.8	175.9	0	0	0	113.1	Y278 L281 L287 A288 Q293 D294 L307 F328 L330	Y278-L291 HydrophobicContact CD1-CD2 4.19Å; Y278-L291 HydrophobicContact CE1-CD2 4.17Å; L281-L291 HydrophobicContact CD1-CD2 4.03Å; L287-L291 HydrophobicContact CD1-CD1 3.96Å; L287-L291 HydrophobicContact CD1-CG 3.96Å; L287-L291 HydrophobicContact CG-CD1 4.05Å; L287-L291 HydrophobicContact CG-CG 4.44Å; L287-L291 WeakPolarHBondContact O-CB 3.42Å; L287-L291 WeakPolarHBondContact O-CG 3.47Å; L287-L291 PolarHBondContact O-N 3.36Å; A288-L291 PolarHBondContact O-N 2.71Å; L291-Q293 PolarHBondContact O-N 2.85Å; L291-D294 WeakPolarHBondContact O-CB 3.44Å; L291-D294 PolarHBondContact O-N 3.37Å; L291-L307 HydrophobicContact CB-CD1 3.82Å; L291-L307 HydrophobicContact CB-CD2 3.73Å; L291-L307 HydrophobicContact CB-CG 4.46Å; L291-L307 HydrophobicContact CD1-CD2 4Å; L291-F328 HydrophobicContact CD1-CE1 3.88Å; L291-F328 HydrophobicContact CD1-CZ 4.14Å; L291-L330 HydrophobicContact CD1-CD1 3.86Å; L291-L330 HydrophobicContact CD1-CD2 3.9Å; L291-L330 HydrophobicContact CD1-CG 4.49Å
292	L	95.1	Very high	95	Very high	52 Å²	52	69.8 Å²	69.8	27%	0.272	35%	0.346	S	S	.	.	H	α-helix	trans	-66.6	-26.2	170.1	-79.7	166.6	0	0	0	112.6	A288 E289 R290 L307	A288-L292 WeakPolarHBondContact O-CG 3.43Å; A288-L292 PolarHBondContact O-N 3.07Å; E289-L292 PolarHBondContact O-N 2.91Å; R290-L292 VanDerWaalsContact C-N 3.31Å; R290-L292 PolarHBondContact O-N 3.41Å; L292-L307 HydrophobicContact CD1-CB 4.41Å; L292-L307 HydrophobicContact CD2-CB 3.67Å; L292-L307 HydrophobicContact CD2-CD1 4.16Å; L292-L307 HydrophobicContact CG-CB 3.77Å; L292-L307 HydrophobicContact CG-CD1 4.2Å
293	Q	95.9	Very high	95	Very high	159 Å²	159	63.8 Å²	63.8	74%	0.743	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.8	-4.8	176.6	-61.9	176	14.8	0	0	112.7	E289 R290 L291	E289-Q293 PolarHBondContact O-N 3.03Å; R290-Q293 CarbonylContact O-C 3.55Å; R290-Q293 PolarHBondContact O-N 3.49Å; R290-Q293 VanDerWaalsContact O-N 3.08Å; L291-Q293 PolarHBondContact O-N 2.85Å
294	D	96.1	Very high	95.1	Very high	40 Å²	40	64.4 Å²	64.4	21%	0.214	32%	0.319	C	S	.	.			trans	-67.9	125.5	179.9	177.2	-76.6	0	0	0	110.4	Y278 R290 L291 R296 M297 S298	Y278-D294 PolarHBondContact OH-OD1 3.44Å; R290-D294 PolarHBondContact O-N 3.27Å; R290-D294 VanDerWaalsContact O-N 3.12Å; L291-D294 WeakPolarHBondContact O-CB 3.44Å; L291-D294 PolarHBondContact O-N 3.37Å; D294-R296 PolarHBondContact O-N 3.22Å; D294-R296 VanDerWaalsContact O-N 3.13Å; D294-R296 WeakPolarHBondContact OD1-CA 3.41Å; D294-R296 WeakPolarHBondContact OD1-CB 3.36Å; D294-R296 PolarHBondContact OD1-N 3.37Å; D294-M297 HydrophobicContact CB-CB 4.04Å; D294-M297 HydrophobicContact CB-CG 4.23Å; D294-M297 PolarHBondContact O-N 3.31Å; D294-M297 PolarHBondContact OD1-N 2.85Å; D294-S298 VanDerWaalsContact O-CB 3.24Å; D294-S298 WeakPolarHBondContact O-CB 3.42Å; D294-S298 PolarHBondContact O-N 2.93Å; D294-S298 PolarHBondContact O-OG 3.31Å; D294-S298 VanDerWaalsContact O-OG 3.05Å
295	P	94	Very high	95.2	Very high	95 Å²	95	65.5 Å²	65.5	62%	0.617	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-22.6	-173.5	-24.9	33.5	0	0	0	115.7	S298 Q299	P295-S298 PolarHBondContact O-OG 2.81Å; P295-Q299 WeakPolarHBondContact O-CG 3.43Å; P295-Q299 PolarHBondContact O-NE2 2.81Å
296	R	93.4	Very high	95.4	Very high	93 Å²	93	63 Å²	63	35%	0.351	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-52.1	177.3	-59.3	-172.8	-165.4	159	12.4	109.4	V231 Q274 E277 D294 S298 Q299	V231-R296 HydrophobicContact CB-CB 4.27Å; V231-R296 WeakPolarHBondContact CG1-O 3.4Å; V231-R296 HydrophobicContact CG2-CB 4.25Å; Q274-R296 VanDerWaalsContact CD-NH1 3.27Å; E277-R296 IonicContact OE2-NH1 2.71Å; D294-R296 PolarHBondContact O-N 3.22Å; D294-R296 VanDerWaalsContact O-N 3.13Å; D294-R296 WeakPolarHBondContact OD1-CA 3.41Å; D294-R296 WeakPolarHBondContact OD1-CB 3.36Å; D294-R296 PolarHBondContact OD1-N 3.37Å; R296-S298 VanDerWaalsContact C-N 3.25Å; R296-S298 PolarHBondContact O-N 2.96Å; R296-Q299 VanDerWaalsContact O-CB 3.27Å; R296-Q299 WeakPolarHBondContact O-CB 3.45Å; R296-Q299 WeakPolarHBondContact O-CG 3.41Å; R296-Q299 PolarHBondContact O-N 2.97Å
297	M	93.1	Very high	95.5	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-60.7	-35.6	-178.6	-66.9	-66.5	-78.9	0	0	112.2	I224 M228 V231 Y278 D294 Q299 S300 A303	I224-M297 HydrophobicContact CG2-CE 3.86Å; M228-M297 HydrophobicContact CB-CE 4.1Å; M228-M297 HydrophobicContact CB-SD 4Å; M228-M297 HydrophobicContact CG-SD 4.36Å; V231-M297 HydrophobicContact CG2-SD 3.95Å; Y278-M297 HydrophobicContact CE1-CG 3.81Å; Y278-M297 HydrophobicContact CE1-SD 4.33Å; D294-M297 HydrophobicContact CB-CB 4.04Å; D294-M297 HydrophobicContact CB-CG 4.23Å; D294-M297 PolarHBondContact O-N 3.31Å; D294-M297 PolarHBondContact OD1-N 2.85Å; M297-Q299 PolarHBondContact O-N 3.06Å; M297-Q299 VanDerWaalsContact O-N 3.11Å; M297-S300 PolarHBondContact O-N 3.12Å; M297-A303 HydrophobicContact CE-CB 3.78Å
298	S	93.2	Very high	95.5	Very high	59 Å²	59	61.9 Å²	61.9	41%	0.413	31%	0.313	S	S	.	.	G	3₁₀ helix	trans	-62.7	-17.1	176.9	67.8	0	0	0	0	113.9	D294 P295 R296 S300	D294-S298 VanDerWaalsContact O-CB 3.24Å; D294-S298 WeakPolarHBondContact O-CB 3.42Å; D294-S298 PolarHBondContact O-N 2.93Å; D294-S298 PolarHBondContact O-OG 3.31Å; D294-S298 VanDerWaalsContact O-OG 3.05Å; P295-S298 PolarHBondContact O-OG 2.81Å; R296-S298 VanDerWaalsContact C-N 3.25Å; R296-S298 PolarHBondContact O-N 2.96Å; S298-S300 VanDerWaalsContact C-N 3.34Å
299	Q	93.2	Very high	95.6	Very high	148 Å²	148	63.6 Å²	63.6	69%	0.692	32%	0.322	S	S	*	.	G	3₁₀ helix	trans	-77.7	-23.2	176.3	-56.4	178	15.3	0	0	112	P295 R296 M297	P295-Q299 WeakPolarHBondContact O-CG 3.43Å; P295-Q299 PolarHBondContact O-NE2 2.81Å; R296-Q299 VanDerWaalsContact O-CB 3.27Å; R296-Q299 WeakPolarHBondContact O-CB 3.45Å; R296-Q299 WeakPolarHBondContact O-CG 3.41Å; R296-Q299 PolarHBondContact O-N 2.97Å; M297-Q299 PolarHBondContact O-N 3.06Å; M297-Q299 VanDerWaalsContact O-N 3.11Å
300	S	95.1	Very high	95.7	Very high	17 Å²	17	60 Å²	60	12%	0.119	31%	0.306	C	S	.	.			trans	-91.6	111.9	178.8	177.7	0	0	0	0	111.2	G227 M297 S298 Q302 A303 C304	G227-S300 VanDerWaalsContact CA-OG 3.27Å; G227-S300 WeakPolarHBondContact CA-OG 3.45Å; M297-S300 PolarHBondContact O-N 3.12Å; S298-S300 VanDerWaalsContact C-N 3.34Å; S300-Q302 PolarHBondContact O-N 3.17Å; S300-A303 PolarHBondContact O-N 2.82Å; S300-A303 PolarHBondContact OG-N 3.27Å; S300-C304 PolarHBondContact O-N 3.12Å; S300-C304 PolarHBondContact O-SG 2.91Å
301	K	95.4	Very high	95.8	Very high	190 Å²	190	58.1 Å²	58.1	83%	0.826	30%	0.3	S	S	*	.	H	α-helix	trans	-57.9	-35.8	174.6	-66	-175	-178.8	179.4	0	112.3	A305	K301-A305 WeakPolarHBondContact O-CB 3.43Å; K301-A305 PolarHBondContact O-N 2.58Å; K301-A305 VanDerWaalsContact O-N 3.08Å
302	Q	93.1	Very high	95.9	Very high	110 Å²	110	60.4 Å²	60.4	51%	0.514	31%	0.313	S	S	.	.	H	α-helix	trans	-69.4	-46	179.2	-65.3	-170	32.5	0	0	111.1	R223 S300 C304 A305 G306	R223-Q302 HydrophobicContact CB-CB 4.26Å; R223-Q302 WeakPolarHBondContact CB-O 3.43Å; S300-Q302 PolarHBondContact O-N 3.17Å; Q302-C304 VanDerWaalsContact C-N 3.34Å; Q302-C304 PolarHBondContact O-N 2.96Å; Q302-A305 PolarHBondContact O-N 3.48Å; Q302-G306 PolarHBondContact O-N 3.15Å
303	A	95.3	Very high	96	Very high	0 Å²	0	58 Å²	58	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-60.6	-44.6	175.9	0	0	0	0	0	111.4	M297 S300 A305 G306 L307	M297-A303 HydrophobicContact CE-CB 3.78Å; S300-A303 PolarHBondContact O-N 2.82Å; S300-A303 PolarHBondContact OG-N 3.27Å; A303-A305 VanDerWaalsContact C-N 3.33Å; A303-A305 PolarHBondContact O-N 3.1Å; A303-G306 PolarHBondContact O-N 3.4Å; A303-L307 WeakPolarHBondContact O-CB 3.44Å; A303-L307 VanDerWaalsContact O-CG 3.26Å; A303-L307 WeakPolarHBondContact O-CG 3.39Å; A303-L307 PolarHBondContact O-N 3.27Å
304	C	97.1	Very high	96.2	Very high	32 Å²	32	50.8 Å²	50.8	22%	0.216	27%	0.266	C	S	.	.	H	α-helix	trans	-60.2	-41.4	177.9	-67.2	0	0	0	0	112.6	S300 Q302 S308	S300-C304 PolarHBondContact O-N 3.12Å; S300-C304 PolarHBondContact O-SG 2.91Å; Q302-C304 VanDerWaalsContact C-N 3.34Å; Q302-C304 PolarHBondContact O-N 2.96Å; C304-S308 WeakPolarHBondContact O-CB 3.17Å; C304-S308 PolarHBondContact O-N 3.37Å; C304-S308 PolarHBondContact O-OG 3.17Å
305	A	97.1	Very high	96.3	Very high	40 Å²	40	50.7 Å²	50.7	33%	0.331	27%	0.269	S	S	.	.	H	α-helix	trans	-64.5	-47.5	176.2	0	0	0	0	0	111.4	K301 Q302 A303 L307 S308 D309	K301-A305 WeakPolarHBondContact O-CB 3.43Å; K301-A305 PolarHBondContact O-N 2.58Å; K301-A305 VanDerWaalsContact O-N 3.08Å; Q302-A305 PolarHBondContact O-N 3.48Å; A303-A305 VanDerWaalsContact C-N 3.33Å; A303-A305 PolarHBondContact O-N 3.1Å; A305-L307 PolarHBondContact O-N 2.99Å; A305-S308 PolarHBondContact O-N 3.41Å; A305-D309 PolarHBondContact O-N 2.87Å
306	G	97.4	Very high	96.5	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-60.9	-43.5	176.4	0	0	0	0	0	112.8	Q302 A303 S308 D309 I310	Q302-G306 PolarHBondContact O-N 3.15Å; A303-G306 PolarHBondContact O-N 3.4Å; G306-S308 PolarHBondContact O-N 2.84Å; G306-D309 PolarHBondContact O-N 3.16Å; G306-I310 WeakPolarHBondContact O-CG1 3.34Å; G306-I310 PolarHBondContact O-N 3.26Å
307	L	98	Very high	96.7	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-65.1	-37.6	177.3	-72.4	166.4	0	0	0	112.5	I224 A288 L291 L292 A303 A305 D309 I310 K311 F328	I224-L307 HydrophobicContact CD1-CD2 3.84Å; I224-L307 HydrophobicContact CD1-CG 4.03Å; I224-L307 HydrophobicContact CG1-CD2 4.41Å; I224-L307 HydrophobicContact CG1-CG 4.15Å; A288-L307 HydrophobicContact CB-CD2 4.44Å; L291-L307 HydrophobicContact CB-CD1 3.82Å; L291-L307 HydrophobicContact CB-CD2 3.73Å; L291-L307 HydrophobicContact CB-CG 4.46Å; L291-L307 HydrophobicContact CD1-CD2 4Å; L292-L307 HydrophobicContact CD1-CB 4.41Å; L292-L307 HydrophobicContact CD2-CB 3.67Å; L292-L307 HydrophobicContact CD2-CD1 4.16Å; L292-L307 HydrophobicContact CG-CB 3.77Å; L292-L307 HydrophobicContact CG-CD1 4.2Å; A303-L307 WeakPolarHBondContact O-CB 3.44Å; A303-L307 VanDerWaalsContact O-CG 3.26Å; A303-L307 WeakPolarHBondContact O-CG 3.39Å; A303-L307 PolarHBondContact O-N 3.27Å; A305-L307 PolarHBondContact O-N 2.99Å; L307-D309 VanDerWaalsContact C-N 3.35Å; L307-I310 PolarHBondContact O-N 2.85Å; L307-K311 PolarHBondContact O-N 3.32Å; L307-F328 HydrophobicContact CD2-CE1 3.99Å; L307-F328 HydrophobicContact CD2-CZ 3.92Å
308	S	98.1	Very high	97	Very high	60 Å²	60	50.6 Å²	50.6	42%	0.42	26%	0.262	S	S	.	.	H	α-helix	trans	-64.5	-41.5	174.9	-59.5	0	0	0	0	111.3	C304 A305 G306 K311 L312	C304-S308 WeakPolarHBondContact O-CB 3.17Å; C304-S308 PolarHBondContact O-N 3.37Å; C304-S308 PolarHBondContact O-OG 3.17Å; A305-S308 PolarHBondContact O-N 3.41Å; G306-S308 PolarHBondContact O-N 2.84Å; S308-K311 PolarHBondContact O-N 3.21Å; S308-L312 PolarHBondContact O-N 2.73Å
309	D	98.3	Very high	97.2	Very high	35 Å²	35	53.9 Å²	53.9	19%	0.187	27%	0.274	C	S	.	.	H	α-helix	trans	-66.9	-39.1	175.3	-77.1	-10.7	0	0	0	111.8	M193 R223 A305 G306 L307 L312 L313	M193-D309 HydrophobicContact CG-CB 4.06Å; M193-D309 WeakPolarHBondContact CG-O 3.38Å; M193-D309 HydrophobicContact SD-CB 3.79Å; R223-D309 IonicContact CZ-OD2 2.8Å; R223-D309 IonicContact NH1-OD2 3.43Å; R223-D309 PolarHBondContact NH1-OD2 3.34Å; R223-D309 IonicContact NH2-OD2 3.9Å; R223-D309 PolarHBondContact NH2-OD2 3.35Å; A305-D309 PolarHBondContact O-N 2.87Å; G306-D309 PolarHBondContact O-N 3.16Å; L307-D309 VanDerWaalsContact C-N 3.35Å; D309-L312 PolarHBondContact O-N 2.69Å; D309-L313 VanDerWaalsContact O-CB 3.3Å; D309-L313 WeakPolarHBondContact O-CB 3.25Å; D309-L313 PolarHBondContact O-N 2.9Å
310	I	98.2	Very high	97.5	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-61	-45.4	172.1	-70.3	-65.5	0	0	0	110.6	V219 D221 I224 A288 G306 L307 L312 L313 F314 F328 V342	V219-I310 HydrophobicContact CG1-CD1 3.8Å; D221-I310 HydrophobicContact CB-CD1 4.45Å; D221-I310 HydrophobicContact CB-CG1 4.4Å; I224-I310 HydrophobicContact CD1-CG1 3.77Å; A288-I310 HydrophobicContact CB-CG2 3.91Å; G306-I310 WeakPolarHBondContact O-CG1 3.34Å; G306-I310 PolarHBondContact O-N 3.26Å; L307-I310 PolarHBondContact O-N 2.85Å; I310-L312 VanDerWaalsContact C-N 3.33Å; I310-L312 PolarHBondContact O-N 2.78Å; I310-L313 HydrophobicContact CD1-CD2 4.34Å; I310-L313 WeakPolarHBondContact O-CB 3.42Å; I310-L313 PolarHBondContact O-N 2.83Å; I310-F314 HydrophobicContact CG2-CD2 3.82Å; I310-F314 HydrophobicContact CG2-CE2 3.88Å; I310-F314 WeakPolarHBondContact O-CD2 3.25Å; I310-F314 PolarHBondContact O-N 3.24Å; I310-F328 HydrophobicContact CG1-CE2 4.46Å; I310-F328 HydrophobicContact CG2-CD1 4.12Å; I310-F328 HydrophobicContact CG2-CD2 4.33Å; I310-F328 HydrophobicContact CG2-CE1 4.37Å; I310-F328 HydrophobicContact CG2-CG 4.12Å; I310-V342 HydrophobicContact CD1-CG1 4.22Å
311	K	98.1	Very high	97.6	Very high	84 Å²	84	57.2 Å²	57.2	37%	0.365	29%	0.287	S	S	.	.	H	α-helix	trans	-58.8	-45.2	175.8	177.3	170.7	172.5	157.5	0	111.7	M285 E289 L307 S308 F314 S315	M285-K311 HydrophobicContact CG-CG 4.25Å; M285-K311 HydrophobicContact SD-CG 4.46Å; E289-K311 HydrophobicContact CG-CD 4.15Å; E289-K311 WeakPolarHBondContact OE1-CE 3.47Å; E289-K311 IonicContact OE1-NZ 2.72Å; E289-K311 PolarHBondContact OE1-NZ 3.47Å; L307-K311 PolarHBondContact O-N 3.32Å; S308-K311 PolarHBondContact O-N 3.21Å; K311-F314 PolarHBondContact O-N 2.89Å; K311-S315 PolarHBondContact O-N 3.02Å
312	L	98.4	Very high	97.7	Very high	55 Å²	55	48.2 Å²	48.2	29%	0.288	25%	0.248	S	C	.	.	H	α-helix	trans	-62.2	-45.1	176.5	-175.4	61.2	0	0	0	111.5	A192 M193 S308 D309 I310 F314 S315 Y316	A192-L312 HydrophobicContact CB-CD2 4.03Å; M193-L312 HydrophobicContact CB-CD2 4.18Å; M193-L312 HydrophobicContact CB-CG 4.23Å; M193-L312 HydrophobicContact CG-CB 4.3Å; M193-L312 HydrophobicContact CG-CD2 4.07Å; M193-L312 HydrophobicContact CG-CG 4.33Å; S308-L312 PolarHBondContact O-N 2.73Å; D309-L312 PolarHBondContact O-N 2.69Å; I310-L312 VanDerWaalsContact C-N 3.33Å; I310-L312 PolarHBondContact O-N 2.78Å; L312-F314 PolarHBondContact O-N 2.97Å; L312-S315 WeakPolarHBondContact O-CB 3.27Å; L312-S315 PolarHBondContact O-N 3.48Å; L312-S315 VanDerWaalsContact O-N 3.11Å; L312-S315 PolarHBondContact O-OG 3.25Å; L312-Y316 HydrophobicContact CD1-CE1 3.98Å; L312-Y316 HydrophobicContact CD1-CE2 4.21Å; L312-Y316 HydrophobicContact CD2-CE2 4.31Å; L312-Y316 HydrophobicContact CG-CE2 3.89Å; L312-Y316 PolarHBondContact O-N 3.01Å
313	L	98.6	Very high	97.8	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-55.4	-50.2	176.1	177.5	65.9	0	0	0	111.6	M193 D196 A197 L200 V219 D309 I310 S315 Y316 L317 V342	M193-L313 HydrophobicContact CB-CB 4.41Å; M193-L313 HydrophobicContact CE-CB 3.69Å; M193-L313 HydrophobicContact CE-CD1 3.9Å; M193-L313 HydrophobicContact CE-CD2 3.96Å; M193-L313 HydrophobicContact CE-CG 4.05Å; M193-L313 HydrophobicContact CG-CB 4.5Å; D196-L313 HydrophobicContact CB-CD1 4.29Å; A197-L313 HydrophobicContact CB-CD1 3.78Å; L200-L313 HydrophobicContact CD1-CD1 4.15Å; L200-L313 HydrophobicContact CD1-CD2 3.97Å; L200-L313 HydrophobicContact CD1-CG 4.38Å; V219-L313 HydrophobicContact CG1-CD2 3.92Å; D309-L313 VanDerWaalsContact O-CB 3.3Å; D309-L313 WeakPolarHBondContact O-CB 3.25Å; D309-L313 PolarHBondContact O-N 2.9Å; I310-L313 HydrophobicContact CD1-CD2 4.34Å; I310-L313 WeakPolarHBondContact O-CB 3.42Å; I310-L313 PolarHBondContact O-N 2.83Å; L313-S315 PolarHBondContact O-N 2.76Å; L313-Y316 PolarHBondContact O-N 2.84Å; L313-L317 HydrophobicContact CD1-CD1 4.35Å; L313-L317 HydrophobicContact CD1-CG 4.29Å; L313-L317 HydrophobicContact CD2-CD1 4.47Å; L313-L317 HydrophobicContact CG-CD1 3.92Å; L313-L317 HydrophobicContact CG-CG 4.28Å; L313-L317 WeakPolarHBondContact O-CG 3.3Å; L313-L317 PolarHBondContact O-N 2.89Å; L313-V342 HydrophobicContact CD2-CG1 4.36Å
314	F	98.4	Very high	97.7	Very high	8 Å²	8	50.9 Å²	50.9	4%	0.035	27%	0.268	C	S	.	.	H	α-helix	trans	-60.7	-32.7	178.8	-90.2	-94.9	0	0	0	112.6	M285 I310 K311 L312 Y316 L317 Q318 T323 V326 F328	M285-F314 HydrophobicContact CB-CB 4.02Å; M285-F314 HydrophobicContact CB-CD1 4.4Å; M285-F314 HydrophobicContact CB-CG 4.27Å; M285-F314 HydrophobicContact CE-CB 3.56Å; M285-F314 HydrophobicContact CG-CB 4.35Å; I310-F314 HydrophobicContact CG2-CD2 3.82Å; I310-F314 HydrophobicContact CG2-CE2 3.88Å; I310-F314 WeakPolarHBondContact O-CD2 3.25Å; I310-F314 PolarHBondContact O-N 3.24Å; K311-F314 PolarHBondContact O-N 2.89Å; L312-F314 PolarHBondContact O-N 2.97Å; F314-Y316 VanDerWaalsContact C-N 3.35Å; F314-L317 PolarHBondContact O-N 2.86Å; F314-Q318 PolarHBondContact O-N 2.63Å; F314-T323 HydrophobicContact CD1-CG2 4.35Å; F314-V326 HydrophobicContact CE1-CG1 4.35Å; F314-V326 HydrophobicContact CZ-CG1 4Å; F314-F328 HydrophobicContact CE2-CB 3.91Å; F314-F328 HydrophobicContact CZ-CB 3.95Å
315	S	98.4	Very high	97.7	Very high	39 Å²	39	51.4 Å²	51.4	27%	0.273	27%	0.266	S	S	.	.	H	α-helix	trans	-64.4	-38.5	174.8	80.3	0	0	0	0	112.2	K311 L312 L313 L319	K311-S315 PolarHBondContact O-N 3.02Å; L312-S315 WeakPolarHBondContact O-CB 3.27Å; L312-S315 PolarHBondContact O-N 3.48Å; L312-S315 VanDerWaalsContact O-N 3.11Å; L312-S315 PolarHBondContact O-OG 3.25Å; L313-S315 PolarHBondContact O-N 2.76Å; S315-L319 PolarHBondContact O-N 3.46Å
316	Y	98.8	Very high	97.7	Very high	58 Å²	58	49.8 Å²	49.8	23%	0.227	25%	0.252	C	S	.	.	H	α-helix	trans	-73.5	-39.1	175	-59.9	-24.2	0	0	0	112.3	A192 M193 I194 A197 L312 L313 F314 Q318 L319 F320	A192-Y316 WeakPolarHBondContact O-CE2 3.48Å; M193-Y316 HydrophobicContact CB-CD2 4.08Å; M193-Y316 HydrophobicContact CB-CE2 3.89Å; I194-Y316 HydrophobicContact CG1-CD2 4.41Å; I194-Y316 HydrophobicContact CG1-CE2 3.7Å; A197-Y316 HydrophobicContact CB-CD2 4.25Å; L312-Y316 HydrophobicContact CD1-CE1 3.98Å; L312-Y316 HydrophobicContact CD1-CE2 4.21Å; L312-Y316 HydrophobicContact CD2-CE2 4.31Å; L312-Y316 HydrophobicContact CG-CE2 3.89Å; L312-Y316 PolarHBondContact O-N 3.01Å; L313-Y316 PolarHBondContact O-N 2.84Å; F314-Y316 VanDerWaalsContact C-N 3.35Å; Y316-Q318 PolarHBondContact O-N 2.91Å; Y316-L319 HydrophobicContact CD1-CD1 4.49Å; Y316-L319 WeakPolarHBondContact O-CB 3.5Å; Y316-L319 PolarHBondContact O-N 2.81Å; Y316-L319 VanDerWaalsContact O-N 3.08Å; Y316-F320 PolarHBondContact O-N 2.75Å
317	L	98.4	Very high	97.7	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-61.7	-31.9	175.3	-65.5	173.6	0	0	0	112	A197 L200 L313 F314 F320 Q321 V322 T323 V326	A197-L317 HydrophobicContact CB-CD2 4.4Å; L200-L317 HydrophobicContact CB-CD2 3.8Å; L200-L317 HydrophobicContact CD1-CD1 3.85Å; L200-L317 HydrophobicContact CD1-CD2 3.92Å; L200-L317 HydrophobicContact CD1-CG 4.45Å; L313-L317 HydrophobicContact CD1-CD1 4.35Å; L313-L317 HydrophobicContact CD1-CG 4.29Å; L313-L317 HydrophobicContact CD2-CD1 4.47Å; L313-L317 HydrophobicContact CG-CD1 3.92Å; L313-L317 HydrophobicContact CG-CG 4.28Å; L313-L317 WeakPolarHBondContact O-CG 3.3Å; L313-L317 PolarHBondContact O-N 2.89Å; F314-L317 PolarHBondContact O-N 2.86Å; L317-F320 CarbonylContact O-C 3.59Å; L317-F320 PolarHBondContact O-N 2.75Å; L317-Q321 PolarHBondContact O-N 3.17Å; L317-V322 HydrophobicContact CB-CG2 3.96Å; L317-V322 HydrophobicContact CD2-CG2 3.56Å; L317-V322 HydrophobicContact CG-CG2 4.33Å; L317-V322 PolarHBondContact O-N 2.91Å; L317-V322 VanDerWaalsContact O-N 3.1Å; L317-T323 HydrophobicContact CB-CG2 3.75Å; L317-V326 HydrophobicContact CD1-CB 4.16Å; L317-V326 HydrophobicContact CD1-CG1 3.81Å; L317-V326 HydrophobicContact CD1-CG2 4.08Å
318	Q	98.1	Very high	97.7	Very high	127 Å²	127	51.2 Å²	51.2	59%	0.593	26%	0.261	S	S	*	.	H	α-helix	trans	-65.2	-42.7	173.8	-173.1	178.8	3.4	0	0	111	F314 Y316 F320 Q321 T323	F314-Q318 PolarHBondContact O-N 2.63Å; Y316-Q318 PolarHBondContact O-N 2.91Å; Q318-F320 VanDerWaalsContact C-N 3.3Å; Q318-F320 PolarHBondContact O-N 2.83Å; Q318-Q321 PolarHBondContact O-N 2.73Å; Q318-Q321 VanDerWaalsContact O-N 3.11Å; Q318-T323 HydrophobicContact CB-CG2 4.05Å
319	L	98.5	Very high	97.6	Very high	129 Å²	129	48.9 Å²	48.9	68%	0.675	24%	0.244	S	C	*	.	H	α-helix	trans	-63.8	-36.3	174.5	-62.3	173.6	0	0	0	112	S315 Y316 Q321	S315-L319 PolarHBondContact O-N 3.46Å; Y316-L319 HydrophobicContact CD1-CD1 4.49Å; Y316-L319 WeakPolarHBondContact O-CB 3.5Å; Y316-L319 PolarHBondContact O-N 2.81Å; Y316-L319 VanDerWaalsContact O-N 3.08Å; L319-Q321 PolarHBondContact O-N 2.95Å
320	F	98.4	Very high	97.4	Very high	77 Å²	77	47.2 Å²	47.2	34%	0.338	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-6.2	175.3	-66.8	-15.3	0	0	0	114.4	A197 K201 Y316 L317 Q318 V322	A197-F320 HydrophobicContact CB-CD2 4.16Å; A197-F320 HydrophobicContact CB-CE2 3.67Å; K201-F320 HydrophobicContact CB-CD2 4Å; K201-F320 HydrophobicContact CB-CE2 4.5Å; K201-F320 HydrophobicContact CD-CB 4.27Å; K201-F320 HydrophobicContact CG-CD2 4.49Å; K201-F320 PolarHBondContact NZ-O 3.48Å; Y316-F320 PolarHBondContact O-N 2.75Å; L317-F320 CarbonylContact O-C 3.59Å; L317-F320 PolarHBondContact O-N 2.75Å; Q318-F320 VanDerWaalsContact C-N 3.3Å; Q318-F320 PolarHBondContact O-N 2.83Å; F320-V322 HydrophobicContact CB-CG2 4.2Å
321	Q	97.8	Very high	97.1	Very high	158 Å²	158	48.3 Å²	48.3	74%	0.738	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.6	49.4	179.5	-57.3	171.5	43.5	0	0	112.2	L317 Q318 L319	L317-Q321 PolarHBondContact O-N 3.17Å; Q318-Q321 PolarHBondContact O-N 2.73Å; Q318-Q321 VanDerWaalsContact O-N 3.11Å; L319-Q321 PolarHBondContact O-N 2.95Å
322	V	96.8	Very high	96.8	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.226	C	C	.	.			trans	-128.2	4	179.1	-60.1	0	0	0	0	113.7	K201 H204 L317 F320 D324 K325 V326	K201-V322 HydrophobicContact CD-CG1 3.62Å; H204-V322 HydrophobicContact CB-CB 4.42Å; H204-V322 HydrophobicContact CB-CG1 3.98Å; L317-V322 HydrophobicContact CB-CG2 3.96Å; L317-V322 HydrophobicContact CD2-CG2 3.56Å; L317-V322 HydrophobicContact CG-CG2 4.33Å; L317-V322 PolarHBondContact O-N 2.91Å; L317-V322 VanDerWaalsContact O-N 3.1Å; F320-V322 HydrophobicContact CB-CG2 4.2Å; V322-D324 PolarHBondContact O-N 3.36Å; V322-K325 PolarHBondContact O-N 2.89Å; V322-K325 VanDerWaalsContact O-N 3.1Å; V322-V326 WeakPolarHBondContact O-CG2 3.24Å
323	T	95.6	Very high	96.1	Very high	55 Å²	55	42 Å²	42	34%	0.337	21%	0.213	S	C	.	.	G	3₁₀ helix	trans	-61.8	-25.6	-176.5	42.7	0	0	0	0	113.7	F314 L317 Q318 K325 V326	F314-T323 HydrophobicContact CD1-CG2 4.35Å; L317-T323 HydrophobicContact CB-CG2 3.75Å; Q318-T323 HydrophobicContact CB-CG2 4.05Å; T323-K325 PolarHBondContact O-N 3.4Å; T323-V326 PolarHBondContact O-N 2.95Å
324	D	93.8	Very high	95	Very high	112 Å²	112	46 Å²	46	60%	0.599	23%	0.228	S	C	*	.	G	3₁₀ helix	trans	-65.6	-22.6	176.8	66	-58.4	0	0	0	113	V322	V322-D324 PolarHBondContact O-N 3.36Å
325	K	95.8	Very high	93.3	Very high	42 Å²	42	47.6 Å²	47.6	18%	0.183	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-98.4	-9.4	177.1	-58.3	-55	-178.7	-173.4	0	113.8	D214 F215 R216 I217 V322 T323	D214-K325 IonicContact OD1-NZ 3.31Å; D214-K325 PolarHBondContact OD1-NZ 3.4Å; F215-K325 HydrophobicContact CE2-CB 4Å; F215-K325 HydrophobicContact CE2-CD 4.49Å; F215-K325 HydrophobicContact CE2-CG 4.07Å; F215-K325 HydrophobicContact CZ-CG 4.17Å; R216-K325 CarbonylContact C-O 3.55Å; R216-K325 WeakPolarHBondContact CA-O 3.46Å; I217-K325 PolarHBondContact N-O 3.3Å; V322-K325 PolarHBondContact O-N 2.89Å; V322-K325 VanDerWaalsContact O-N 3.1Å; T323-K325 PolarHBondContact O-N 3.4Å
326	V	97.3	Very high	91.7	Very high	7 Å²	7	47 Å²	47	4%	0.042	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	128	-172.3	-178	0	0	0	0	111	I217 V219 F314 L317 V322 T323	I217-V326 HydrophobicContact CB-CG2 4.28Å; I217-V326 HydrophobicContact CD1-CG2 4.38Å; I217-V326 CarbonylContact O-C 3.58Å; I217-V326 WeakPolarHBondContact O-CA 3.35Å; V219-V326 HydrophobicContact CB-CG1 4.41Å; V219-V326 HydrophobicContact CG2-CG1 3.51Å; F314-V326 HydrophobicContact CE1-CG1 4.35Å; F314-V326 HydrophobicContact CZ-CG1 4Å; L317-V326 HydrophobicContact CD1-CB 4.16Å; L317-V326 HydrophobicContact CD1-CG1 3.81Å; L317-V326 HydrophobicContact CD1-CG2 4.08Å; V322-V326 WeakPolarHBondContact O-CG2 3.24Å; T323-V326 PolarHBondContact O-N 2.95Å
327	V	97.1	Very high	90.5	Very high	30 Å²	30	48 Å²	48	18%	0.182	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	125.1	-179.6	-178.2	0	0	0	0	109.2	I217 K218 V219 H282 D329	I217-V327 PolarHBondContact O-N 3.27Å; K218-V327 CarbonylContact C-O 3.53Å; K218-V327 VanDerWaalsContact CA-O 3.32Å; K218-V327 WeakPolarHBondContact CA-O 3.21Å; V219-V327 PolarHBondContact N-O 2.98Å; H282-V327 HydrophobicContact CB-CG1 4.06Å; V327-D329 PolarHBondContact O-N 3.43Å
328	F	97.9	Very high	89.7	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	117	167.5	177	-149.5	0	0	0	108.4	V219 I224 H282 G283 L287 A288 L291 L307 I310 F314 L330	V219-F328 WeakPolarHBondContact O-CA 3.43Å; V219-F328 WeakPolarHBondContact O-CD2 3.45Å; I224-F328 HydrophobicContact CD1-CE2 4Å; I224-F328 HydrophobicContact CD1-CZ 3.81Å; H282-F328 CarbonylContact C-O 3.59Å; H282-F328 WeakPolarHBondContact CA-O 3.27Å; G283-F328 PolarHBondContact N-O 2.9Å; G283-F328 PolarHBondContact O-N 3.35Å; L287-F328 HydrophobicContact CB-CD1 4.09Å; L287-F328 HydrophobicContact CD2-CD1 3.76Å; L287-F328 HydrophobicContact CD2-CE1 4.15Å; L287-F328 HydrophobicContact CD2-CG 4.37Å; L287-F328 HydrophobicContact CG-CD1 3.82Å; L287-F328 HydrophobicContact CG-CE1 3.98Å; A288-F328 HydrophobicContact CB-CD1 4.29Å; A288-F328 HydrophobicContact CB-CE1 4.16Å; L291-F328 HydrophobicContact CD1-CE1 3.88Å; L291-F328 HydrophobicContact CD1-CZ 4.14Å; L307-F328 HydrophobicContact CD2-CE1 3.99Å; L307-F328 HydrophobicContact CD2-CZ 3.92Å; I310-F328 HydrophobicContact CG1-CE2 4.46Å; I310-F328 HydrophobicContact CG2-CD1 4.12Å; I310-F328 HydrophobicContact CG2-CD2 4.33Å; I310-F328 HydrophobicContact CG2-CE1 4.37Å; I310-F328 HydrophobicContact CG2-CG 4.12Å; F314-F328 HydrophobicContact CE2-CB 3.91Å; F314-F328 HydrophobicContact CZ-CB 3.95Å; F328-L330 HydrophobicContact CD1-CD1 4.43Å; F328-L330 HydrophobicContact CD2-CD1 4.32Å; F328-L330 HydrophobicContact CE1-CD1 3.88Å; F328-L330 HydrophobicContact CE2-CD1 3.74Å; F328-L330 HydrophobicContact CE2-CG 4.48Å; F328-L330 HydrophobicContact CZ-CD1 3.47Å; F328-L330 VanDerWaalsContact CZ-CD1 3.47Å; F328-L330 HydrophobicContact CZ-CG 4.33Å
329	D	95.9	Very high	89.4	Confident	10 Å²	10	43.8 Å²	43.8	5%	0.053	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	112.9	-171	-175	-23	0	0	0	109.9	K218 V219 N220 H282 V327 S331 L332	K218-D329 HydrophobicContact CB-CB 4.32Å; K218-D329 HydrophobicContact CD-CB 4.46Å; K218-D329 WeakPolarHBondContact CD-OD2 3.47Å; K218-D329 VanDerWaalsContact CE-OD2 3.3Å; K218-D329 WeakPolarHBondContact CE-OD2 3.48Å; K218-D329 HydrophobicContact CG-CB 4.38Å; K218-D329 IonicContact NZ-OD2 2.73Å; K218-D329 PolarHBondContact NZ-OD2 3.42Å; V219-D329 PolarHBondContact O-N 3.2Å; N220-D329 WeakPolarHBondContact CB-O 3.32Å; N220-D329 PolarHBondContact ND2-O 2.89Å; H282-D329 HydrophobicContact CB-CB 4.23Å; V327-D329 PolarHBondContact O-N 3.43Å; D329-S331 PolarHBondContact O-N 3.02Å; D329-S331 WeakPolarHBondContact OD1-CB 3.44Å; D329-S331 PolarHBondContact OD1-N 3.08Å; D329-S331 PolarHBondContact OD1-OG 2.87Å; D329-S331 PolarHBondContact OD2-OG 3.28Å; D329-L332 WeakPolarHBondContact O-CB 3.46Å; D329-L332 PolarHBondContact O-N 2.68Å
330	L	94.8	Very high	89.1	Confident	1 Å²	1	40.3 Å²	40.3	1%	0.005	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-14.6	-175.4	-84.5	74	0	0	0	113.3	N220 M228 Y278 L281 L287 L291 F328 L332	N220-L330 PolarHBondContact ND2-O 2.91Å; M228-L330 HydrophobicContact SD-CD2 4.24Å; Y278-L330 HydrophobicContact CD1-CD2 4.46Å; Y278-L330 WeakPolarHBondContact O-CB 3.1Å; L281-L330 HydrophobicContact CB-CD1 4.46Å; L281-L330 PolarHBondContact O-N 3.48Å; L287-L330 HydrophobicContact CD2-CD1 3.99Å; L291-L330 HydrophobicContact CD1-CD1 3.86Å; L291-L330 HydrophobicContact CD1-CD2 3.9Å; L291-L330 HydrophobicContact CD1-CG 4.49Å; F328-L330 HydrophobicContact CD1-CD1 4.43Å; F328-L330 HydrophobicContact CD2-CD1 4.32Å; F328-L330 HydrophobicContact CE1-CD1 3.88Å; F328-L330 HydrophobicContact CE2-CD1 3.74Å; F328-L330 HydrophobicContact CE2-CG 4.48Å; F328-L330 HydrophobicContact CZ-CD1 3.47Å; F328-L330 VanDerWaalsContact CZ-CD1 3.47Å; F328-L330 HydrophobicContact CZ-CG 4.33Å; L330-L332 VanDerWaalsContact C-N 3.25Å; L330-L332 PolarHBondContact O-N 2.82Å
331	S	91.8	Very high	89	Confident	22 Å²	22	36.7 Å²	36.7	15%	0.154	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-18.1	174.2	71.1	0	0	0	0	113	V279 D329 A333	V279-S331 WeakPolarHBondContact O-CB 3.05Å; D329-S331 PolarHBondContact O-N 3.02Å; D329-S331 WeakPolarHBondContact OD1-CB 3.44Å; D329-S331 PolarHBondContact OD1-N 3.08Å; D329-S331 PolarHBondContact OD1-OG 2.87Å; D329-S331 PolarHBondContact OD2-OG 3.28Å; S331-A333 PolarHBondContact O-N 2.97Å; S331-A333 VanDerWaalsContact O-N 3.16Å
332	L	92.3	Very high	88.9	Confident	6 Å²	6	29.2 Å²	29.2	3%	0.031	16%	0.162	C	C	.	.			trans	-72.7	109	-179.2	-178.5	70.4	0	0	0	110.3	K218 N220 D329 L330 R334 I343 E345	K218-L332 HydrophobicContact CB-CD2 4.08Å; N220-L332 HydrophobicContact CB-CB 4.01Å; N220-L332 HydrophobicContact CB-CD2 4.18Å; N220-L332 HydrophobicContact CB-CG 4.41Å; N220-L332 PolarHBondContact ND2-O 3.19Å; D329-L332 WeakPolarHBondContact O-CB 3.46Å; D329-L332 PolarHBondContact O-N 2.68Å; L330-L332 VanDerWaalsContact C-N 3.25Å; L330-L332 PolarHBondContact O-N 2.82Å; L332-R334 HydrophobicContact CD1-CG 3.62Å; L332-R334 HydrophobicContact CG-CG 4.22Å; L332-I343 HydrophobicContact CD2-CG1 4.22Å; L332-I343 HydrophobicContact CG-CD1 4.27Å; L332-I343 HydrophobicContact CG-CG1 4.45Å; L332-I343 WeakPolarHBondContact O-CD1 3.42Å; L332-E345 HydrophobicContact CD1-CB 3.76Å; L332-E345 HydrophobicContact CD2-CB 4.49Å
333	A	84.4	Confident	88.9	Confident	1 Å²	1	29.2 Å²	29.2	1%	0.008	16%	0.162	C	C	.	.			trans	-131.3	32	-172.4	0	0	0	0	0	113.6	L225 C243 V246 D247 S331	L225-A333 HydrophobicContact CD1-CB 4.04Å; L225-A333 HydrophobicContact CD2-CB 4.35Å; C243-A333 PolarHBondContact SG-O 3.4Å; C243-A333 VanDerWaalsContact SG-O 3.37Å; V246-A333 HydrophobicContact CB-CB 4.08Å; V246-A333 HydrophobicContact CG1-CB 3.81Å; D247-A333 HydrophobicContact CB-CB 4.36Å; S331-A333 PolarHBondContact O-N 2.97Å; S331-A333 VanDerWaalsContact O-N 3.16Å
334	R	73.9	Confident	88.9	Confident	85 Å²	85	26.8 Å²	26.8	32%	0.321	15%	0.147	S	C	.	.			trans	-37	132.5	-168.9	-69.8	-71.9	-67.7	144.7	0.4	115.2	D247 L332 L336 E345	D247-R334 WeakPolarHBondContact OD1-CA 3.23Å; D247-R334 PolarHBondContact OD1-N 3.23Å; L332-R334 HydrophobicContact CD1-CG 3.62Å; L332-R334 HydrophobicContact CG-CG 4.22Å; R334-L336 PolarHBondContact O-N 3.36Å; R334-E345 IonicContact NE-OE1 3.6Å
335	G	62.8	Low	89	Confident	40 Å²	40	22.2 Å²	22.2	41%	0.412	12%	0.122	S	C	.	.			trans	-81.7	22.2	-165.2	0	0	0	0	0	119.8
336	L	65	Low	88.9	Confident	28 Å²	28	20.3 Å²	20.3	15%	0.147	11%	0.114	C	C	.	.			trans	-93.6	113.2	169.7	-65.1	176.5	0	0	0	109.9	R334 Y338 Y339	R334-L336 PolarHBondContact O-N 3.36Å; L336-Y338 HydrophobicContact CB-CD1 4.08Å; L336-Y338 HydrophobicContact CB-CD2 4.34Å; L336-Y338 HydrophobicContact CB-CE1 3.81Å; L336-Y338 HydrophobicContact CB-CE2 4.07Å; L336-Y338 HydrophobicContact CB-CG 4.37Å; L336-Y338 HydrophobicContact CD1-CE1 3.76Å; L336-Y338 HydrophobicContact CD1-CE2 4.2Å; L336-Y338 VanDerWaalsContact CD1-CZ 3.41Å; L336-Y338 WeakPolarHBondContact CD1-OH 3.3Å; L336-Y338 HydrophobicContact CD2-CE1 4.28Å; L336-Y338 HydrophobicContact CG-CE1 4.15Å; L336-Y338 PolarHBondContact O-N 3.07Å; L336-Y339 HydrophobicContact CB-CD2 4.07Å; L336-Y339 HydrophobicContact CB-CE2 3.84Å; L336-Y339 HydrophobicContact CD1-CE2 4.44Å; L336-Y339 WeakPolarHBondContact O-CD2 3.38Å; L336-Y339 PolarHBondContact O-N 3.12Å
337	D	73.8	Confident	88.6	Confident	78 Å²	78	21.3 Å²	21.3	42%	0.417	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-12.4	-175.3	-78.8	-6.4	0	0	0	114.3	G116 R240	G116-D337 WeakPolarHBondContact CA-OD2 3.43Å; R240-D337 IonicContact NH1-OD2 2.72Å
338	Y	81.9	Confident	88.2	Confident	14 Å²	14	20.2 Å²	20.2	6%	0.055	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-9.4	-176.9	58.8	-120	0	0	0	115	D138 T140 L336 Y382 L385	D138-Y338 PolarHBondContact OD2-OH 3.24Å; T140-Y338 HydrophobicContact CG2-CE2 4.38Å; T140-Y338 PolarHBondContact OG1-OH 3.4Å; L336-Y338 HydrophobicContact CB-CD1 4.08Å; L336-Y338 HydrophobicContact CB-CD2 4.34Å; L336-Y338 HydrophobicContact CB-CE1 3.81Å; L336-Y338 HydrophobicContact CB-CE2 4.07Å; L336-Y338 HydrophobicContact CB-CG 4.37Å; L336-Y338 HydrophobicContact CD1-CE1 3.76Å; L336-Y338 HydrophobicContact CD1-CE2 4.2Å; L336-Y338 VanDerWaalsContact CD1-CZ 3.41Å; L336-Y338 WeakPolarHBondContact CD1-OH 3.3Å; L336-Y338 HydrophobicContact CD2-CE1 4.28Å; L336-Y338 HydrophobicContact CG-CE1 4.15Å; L336-Y338 PolarHBondContact O-N 3.07Å; Y338-Y382 HydrophobicContact CD2-CG 4.15Å; Y338-Y382 HydrophobicContact CE2-CD1 4.45Å; Y338-Y382 HydrophobicContact CE2-CG 4.38Å; Y338-Y382 WeakPolarHBondContact O-CA 3.24Å; Y338-Y382 VanDerWaalsContact O-CB 3.22Å; Y338-Y382 WeakPolarHBondContact O-CB 3.24Å; Y338-L385 HydrophobicContact CD1-CD2 4.49Å; Y338-L385 HydrophobicContact CG-CD2 4.4Å
339	Y	91.3	Very high	87.4	Confident	25 Å²	25	21.4 Å²	21.4	10%	0.098	12%	0.12	C	C	.	.			trans	-71.4	137.7	178	-68.4	-56.5	0	0	0	112.1	L336 I343 G379 G380 R381 Y382	L336-Y339 HydrophobicContact CB-CD2 4.07Å; L336-Y339 HydrophobicContact CB-CE2 3.84Å; L336-Y339 HydrophobicContact CD1-CE2 4.44Å; L336-Y339 WeakPolarHBondContact O-CD2 3.38Å; L336-Y339 PolarHBondContact O-N 3.12Å; Y339-I343 HydrophobicContact CD1-CG2 4.22Å; Y339-I343 HydrophobicContact CD2-CG2 3.72Å; Y339-I343 HydrophobicContact CE2-CG2 4.39Å; Y339-I343 HydrophobicContact CG-CG2 3.62Å; Y339-G379 WeakPolarHBondContact OH-CA 3.48Å; Y339-G380 VanDerWaalsContact CE1-CA 3.44Å; Y339-R381 CarbonylContact C-O 3.44Å; Y339-R381 VanDerWaalsContact CA-O 3.32Å; Y339-R381 WeakPolarHBondContact CA-O 3.43Å; Y339-R381 WeakPolarHBondContact CD1-O 3.22Å; Y339-Y382 HydrophobicContact CD1-CD1 4.47Å; Y339-Y382 HydrophobicContact CE1-CD1 4.27Å
340	T	93.2	Very high	85.8	Confident	55 Å²	55	25.9 Å²	25.9	34%	0.337	14%	0.141	S	C	.	.			trans	-125	-10.4	-174.7	60.7	0	0	0	0	114.1	R381 D383	T340-R381 PolarHBondContact N-O 2.91Å; T340-D383 PolarHBondContact OG1-N 2.95Å
341	G	95.3	Very high	83.4	Confident	1 Å²	1	28.9 Å²	28.9	1%	0.01	17%	0.166	C	C	.	.	S	Bend	trans	-144.5	-129.8	-178.6	0	0	0	0	0	110.6	D221 R222 R381	D221-G341 WeakPolarHBondContact CA-O 3.34Å; D221-G341 VanDerWaalsContact CG-C 3.44Å; D221-G341 WeakPolarHBondContact OD2-CA 3.33Å; R222-G341 PolarHBondContact N-O 2.99Å; G341-R381 PolarHBondContact N-O 2.84Å
342	V	96.9	Very high	80.8	Confident	1 Å²	1	31.1 Å²	31.1	1%	0.006	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.6	144.1	-180	-63.6	0	0	0	0	112.1	M193 D196 N220 D221 I310 L313 Y344 G380 R381	M193-V342 HydrophobicContact CE-CB 4.45Å; M193-V342 HydrophobicContact CE-CG1 3.34Å; M193-V342 HydrophobicContact CE-CG2 4.35Å; M193-V342 HydrophobicContact SD-CG1 4.42Å; D196-V342 HydrophobicContact CB-CG2 4.07Å; D196-V342 VanDerWaalsContact OD1-CG2 3.29Å; D196-V342 WeakPolarHBondContact OD1-CG2 3.11Å; N220-V342 CarbonylContact O-C 3.53Å; N220-V342 VanDerWaalsContact O-CA 3.3Å; N220-V342 WeakPolarHBondContact O-CA 3.38Å; D221-V342 PolarHBondContact OD2-N 3.1Å; D221-V342 VanDerWaalsContact OD2-N 3.1Å; I310-V342 HydrophobicContact CD1-CG1 4.22Å; L313-V342 HydrophobicContact CD2-CG1 4.36Å; V342-Y344 HydrophobicContact CG2-CD1 4.35Å; V342-Y344 HydrophobicContact CG2-CE1 4.1Å; V342-G380 CarbonylContact O-C 3.54Å; V342-G380 WeakPolarHBondContact O-CA 3.46Å; V342-R381 HydrophobicContact CG2-CB 4.09Å; V342-R381 PolarHBondContact O-N 2.78Å
343	I	96.8	Very high	78.4	Confident	1 Å²	1	32.2 Å²	32.2	1%	0.005	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	145.2	171.9	54.5	175	0	0	0	107.8	V219 N220 L225 L332 Y339 G379	V219-I343 CarbonylContact C-O 3.54Å; V219-I343 WeakPolarHBondContact CA-O 3.38Å; N220-I343 HydrophobicContact CB-CD1 4.15Å; N220-I343 HydrophobicContact CB-CG1 3.88Å; N220-I343 PolarHBondContact N-O 3.24Å; N220-I343 PolarHBondContact O-N 2.63Å; N220-I343 VanDerWaalsContact O-O 3.11Å; L225-I343 HydrophobicContact CD1-CD1 3.99Å; L332-I343 HydrophobicContact CD2-CG1 4.22Å; L332-I343 HydrophobicContact CG-CD1 4.27Å; L332-I343 HydrophobicContact CG-CG1 4.45Å; L332-I343 WeakPolarHBondContact O-CD1 3.42Å; Y339-I343 HydrophobicContact CD1-CG2 4.22Å; Y339-I343 HydrophobicContact CD2-CG2 3.72Å; Y339-I343 HydrophobicContact CE2-CG2 4.39Å; Y339-I343 HydrophobicContact CG-CG2 3.62Å; I343-G379 WeakPolarHBondContact CA-O 3.14Å
344	Y	95.6	Very high	76.1	Confident	3 Å²	3	35.9 Å²	35.9	1%	0.012	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	153.9	-178.8	43.1	-101.2	0	0	0	112.9	C199 L200 K218 V342 G378 G379 V399 G400 V401	C199-Y344 WeakPolarHBondContact CB-OH 3.25Å; L200-Y344 HydrophobicContact CD2-CD1 3.79Å; L200-Y344 HydrophobicContact CD2-CD2 3.9Å; L200-Y344 HydrophobicContact CD2-CE1 4.29Å; L200-Y344 HydrophobicContact CD2-CE2 4.38Å; L200-Y344 HydrophobicContact CD2-CG 3.57Å; L200-Y344 HydrophobicContact CG-CD1 4.38Å; K218-Y344 CarbonylContact O-C 3.54Å; K218-Y344 WeakPolarHBondContact O-CA 3.39Å; K218-Y344 VanDerWaalsContact O-CB 3.25Å; K218-Y344 WeakPolarHBondContact O-CB 3.17Å; V342-Y344 HydrophobicContact CG2-CD1 4.35Å; V342-Y344 HydrophobicContact CG2-CE1 4.1Å; Y344-G378 CarbonylContact O-C 3.58Å; Y344-G378 VanDerWaalsContact O-CA 3.28Å; Y344-G378 WeakPolarHBondContact O-CA 3.5Å; Y344-G379 VanDerWaalsContact CE2-C 3.46Å; Y344-G379 PolarHBondContact N-O 3.19Å; Y344-G379 PolarHBondContact O-N 3.18Å; Y344-V399 HydrophobicContact CE1-CG2 4.47Å; Y344-G400 VanDerWaalsContact OH-C 3.28Å; Y344-G400 PolarHBondContact OH-O 3.45Å; Y344-V401 HydrophobicContact CE2-CB 3.87Å; Y344-V401 HydrophobicContact CE2-CG2 3.86Å
345	E	94.7	Very high	74.3	Confident	17 Å²	17	38 Å²	38	8%	0.079	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	128.3	-178.3	-176.9	166.4	-127.7	0	0	110.5	I217 K218 L332 R334 V347 S375 A377	I217-E345 CarbonylContact C-O 3.52Å; I217-E345 WeakPolarHBondContact CA-O 3.5Å; K218-E345 PolarHBondContact N-O 2.87Å; K218-E345 PolarHBondContact O-N 2.46Å; L332-E345 HydrophobicContact CD1-CB 3.76Å; L332-E345 HydrophobicContact CD2-CB 4.49Å; R334-E345 IonicContact NE-OE1 3.6Å; E345-V347 HydrophobicContact CG-CG1 4.28Å; E345-S375 WeakPolarHBondContact CG-OG 3.47Å; E345-S375 WeakPolarHBondContact OE1-CB 3.49Å; E345-S375 PolarHBondContact OE1-OG 2.98Å; E345-A377 CarbonylContact C-O 3.55Å; E345-A377 WeakPolarHBondContact CA-O 3.42Å
346	A	94.5	Very high	73.4	Confident	1 Å²	1	38.6 Å²	38.6	1%	0.008	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	128.3	173.5	0	0	0	0	0	110.4	V203 L207 R216 I217 S375 V376 A377	V203-A346 HydrophobicContact CG1-CB 3.84Å; L207-A346 HydrophobicContact CD1-CB 3.66Å; R216-A346 CarbonylContact O-C 3.56Å; R216-A346 WeakPolarHBondContact O-CA 3.41Å; I217-A346 HydrophobicContact CG1-CB 4.1Å; A346-S375 CarbonylContact O-C 3.57Å; A346-S375 WeakPolarHBondContact O-CA 3.4Å; A346-V376 HydrophobicContact CB-CG2 4.17Å; A346-V376 WeakPolarHBondContact O-CG2 3.29Å; A346-V376 PolarHBondContact O-N 3.21Å; A346-A377 HydrophobicContact CB-CB 3.87Å; A346-A377 PolarHBondContact N-O 3.27Å; A346-A377 PolarHBondContact O-N 3.48Å
347	V	91.6	Very high	72	Confident	28 Å²	28	42 Å²	42	17%	0.17	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	141.7	177	-63.3	0	0	0	0	109.2	F215 R216 E345	F215-V347 CarbonylContact C-O 3.59Å; F215-V347 WeakPolarHBondContact CA-O 3.45Å; F215-V347 WeakPolarHBondContact CB-O 3.41Å; R216-V347 HydrophobicContact CB-CG2 4.3Å; R216-V347 PolarHBondContact N-O 2.65Å; R216-V347 PolarHBondContact O-N 2.6Å; E345-V347 HydrophobicContact CG-CG1 4.28Å
348	L	88.6	Confident	70.3	Confident	7 Å²	7	41.4 Å²	41.4	4%	0.037	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	142.8	170.6	-58.5	178.8	0	0	0	108.8	L212 F215 V373 V376 I411	L212-L348 HydrophobicContact CB-CD1 4.43Å; L212-L348 HydrophobicContact CB-CD2 4.14Å; F215-L348 HydrophobicContact CB-CD2 3.96Å; L348-V373 HydrophobicContact CB-CB 4.1Å; L348-V373 HydrophobicContact CB-CG1 3.64Å; L348-V373 HydrophobicContact CD1-CG1 3.97Å; L348-V373 HydrophobicContact CG-CG1 4.31Å; L348-V376 HydrophobicContact CD1-CG1 3.88Å; L348-V376 HydrophobicContact CD2-CG1 4.41Å; L348-V376 HydrophobicContact CD2-CG2 3.99Å; L348-V376 HydrophobicContact CG-CG1 3.79Å; L348-V376 HydrophobicContact CG-CG2 4.07Å; L348-I411 HydrophobicContact CD1-CD1 3.25Å
349	T	81	Confident	67.9	Low	25 Å²	25	45 Å²	45	15%	0.153	31%	0.311	C	S	.	.			trans	-96.5	149.6	173.8	66.4	0	0	0	0	109.3	D214 R216 A351	D214-T349 VanDerWaalsContact C-OG1 3.26Å; D214-T349 VanDerWaalsContact CB-OG1 3.29Å; D214-T349 WeakPolarHBondContact CB-OG1 3.3Å; D214-T349 PolarHBondContact O-N 2.92Å; D214-T349 PolarHBondContact O-OG1 2.84Å; R216-T349 HydrophobicContact CB-CG2 4.43Å; R216-T349 HydrophobicContact CG-CG2 3.8Å; T349-A351 PolarHBondContact O-N 2.9Å
350	Q	62.9	Low	65.1	Low	104 Å²	104	47.9 Å²	47.9	49%	0.486	34%	0.335	S	S	.	.	S	Bend	trans	-64.9	-10.6	-178	-69.7	-172.9	-25.4	0	0	113.6	G352 V371 V373	Q350-G352 PolarHBondContact O-N 3.4Å; Q350-V371 PolarHBondContact NE2-O 3.16Å; Q350-V373 HydrophobicContact CG-CG2 3.97Å
351	A	43.3	Very low	62.1	Low	65 Å²	65	52.8 Å²	52.8	54%	0.537	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	95.8	174.6	0	0	0	0	0	110.4	D214 T349	D214-A351 HydrophobicContact CB-CB 4.39Å; D214-A351 PolarHBondContact N-O 2.92Å; T349-A351 PolarHBondContact O-N 2.9Å
352	G	38.3	Very low	59.1	Low	68 Å²	68	59.9 Å²	59.9	70%	0.701	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	109.9	-2.7	172.1	0	0	0	0	0	115.7	Q350	Q350-G352 PolarHBondContact O-N 3.4Å
353	V	40.5	Very low	56.1	Low	29 Å²	29	64.3 Å²	64.3	18%	0.176	43%	0.433	C	S	.	.	S	Bend	trans	-86.5	113.6	164.1	-168.4	0	0	0	0	106.4	V356	V353-V356 HydrophobicContact CG1-CG2 3.53Å
354	A	37.3	Very low	53	Low	79 Å²	79	73 Å²	73	65%	0.653	47%	0.474	S	S	*	.			trans	-47.2	137.5	169.4	0	0	0	0	0	108.3	V356	A354-V356 PolarHBondContact O-N 2.83Å
355	P	36.3	Very low	49.8	Very low	129 Å²	129	79.8 Å²	79.8	84%	0.838	51%	0.51	S	S	*	.			trans	-48.3	110.4	-171.6	16.2	-29.5	0	0	0	108.9	A357	P355-A357 VanDerWaalsContact C-N 3.31Å; P355-A357 PolarHBondContact O-N 3.4Å
356	V	42.4	Very low	46.6	Very low	53 Å²	53	83.6 Å²	83.6	32%	0.321	55%	0.554	S	S	.	*			trans	-67.3	103	178.3	-170.6	0	0	0	0	103.9	V353 A354 L358	V353-V356 HydrophobicContact CG1-CG2 3.53Å; A354-V356 PolarHBondContact O-N 2.83Å; V356-L358 HydrophobicContact CG1-CD1 4.33Å; V356-L358 HydrophobicContact CG1-CG 3.87Å; V356-L358 PolarHBondContact O-N 3.4Å
357	A	35.4	Very low	43.2	Very low	98 Å²	98	87.1 Å²	87.1	81%	0.81	58%	0.578	S	S	*	*			trans	-67.1	70.6	163.2	0	0	0	0	0	107.3	P355 A359	P355-A357 VanDerWaalsContact C-N 3.31Å; P355-A357 PolarHBondContact O-N 3.4Å; A357-A359 PolarHBondContact O-N 3.1Å
358	L	37.7	Very low	40.1	Very low	67 Å²	67	95.6 Å²	95.6	35%	0.351	62%	0.616	S	S	.	*			trans	-62.6	103	151.2	-78.8	159.7	0	0	0	103.4	V356 S360 V371	V356-L358 HydrophobicContact CG1-CD1 4.33Å; V356-L358 HydrophobicContact CG1-CG 3.87Å; V356-L358 PolarHBondContact O-N 3.4Å; L358-S360 PolarHBondContact O-N 3.22Å; L358-V371 HydrophobicContact CD1-CG1 3.4Å; L358-V371 VanDerWaalsContact CD1-CG1 3.4Å
359	A	32.1	Very low	37.3	Very low	89 Å²	89	103 Å²	103	74%	0.736	65%	0.65	S	S	*	*			trans	-59.6	84.1	168.8	0	0	0	0	0	108	A357 N361	A357-A359 PolarHBondContact O-N 3.1Å; A359-N361 PolarHBondContact O-N 3.41Å
360	S	32.6	Very low	35	Very low	86 Å²	86	106 Å²	106	60%	0.601	67%	0.672	S	S	*	*			trans	-68.4	104	154	50.1	0	0	0	0	105.2	L358 D362	L358-S360 PolarHBondContact O-N 3.22Å; S360-D362 PolarHBondContact O-N 2.92Å
361	N	31.3	Very low	33.7	Very low	158 Å²	158	104.4 Å²	104.4	85%	0.845	67%	0.67	S	S	*	*	S	Bend	trans	-67.6	8.9	166.7	-82.1	-12.6	0	0	0	112.7	A359	A359-N361 PolarHBondContact O-N 3.41Å
362	D	31.5	Very low	33.7	Very low	149 Å²	149	105.1 Å²	105.1	80%	0.797	67%	0.671	S	S	*	*			trans	-102.8	44.7	173.8	-65.5	-35.7	0	0	0	111.3	S360 Q364	S360-D362 PolarHBondContact O-N 2.92Å; D362-Q364 PolarHBondContact O-N 3.32Å
363	A	34.3	Very low	34.8	Very low	94 Å²	94	103.1 Å²	103.1	78%	0.777	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.4	74.5	165.3	0	0	0	0	0	109.5
364	Q	31	Very low	36.2	Very low	184 Å²	184	102.4 Å²	102.4	86%	0.86	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-140.3	5.7	165	-111.5	-174	13.5	0	0	116.3	D362	D362-Q364 PolarHBondContact O-N 3.32Å
365	N	29.1	Very low	38.5	Very low	146 Å²	146	100.4 Å²	100.4	78%	0.781	63%	0.625	S	S	*	*	S	Bend	trans	-133.2	116.9	166.7	-81.5	-28.4	0	0	0	110	S367	N365-S367 PolarHBondContact O-N 2.95Å
366	G	25.9	Very low	41.1	Very low	96 Å²	96	94.3 Å²	94.3	99%	0.99	59%	0.585	S	S	*	*			trans	-75	60.2	-176.6	0	0	0	0	0	114.2
367	S	24.7	Very low	43.6	Very low	75 Å²	75	92 Å²	92	52%	0.524	57%	0.571	S	S	.	*			trans	-96.6	122.6	158.2	45.9	0	0	0	0	108.4	N365 E369	N365-S367 PolarHBondContact O-N 2.95Å; S367-E369 PolarHBondContact O-N 3.35Å
368	E	26.6	Very low	46.4	Very low	207 Å²	207	87.9 Å²	87.9	97%	0.967	54%	0.539	S	S	*	.			trans	-65	69.8	162.4	-70.4	-177.3	160.4	0	0	108.6	S370	E368-S370 PolarHBondContact O-N 2.83Å; E368-S370 VanDerWaalsContact O-N 3.17Å
369	E	29.2	Very low	49.1	Very low	162 Å²	162	84.9 Å²	84.9	76%	0.757	52%	0.524	S	S	*	.			trans	-73.8	105.7	169.3	-91.4	-174.5	161.9	0	0	107.7	S367 V371	S367-E369 PolarHBondContact O-N 3.35Å; E369-V371 PolarHBondContact O-N 3.47Å
370	S	31.8	Very low	52.2	Low	88 Å²	88	80.6 Å²	80.6	62%	0.615	49%	0.489	S	S	*	.			trans	-49.3	107.6	167	55.3	0	0	0	0	109.3	E368 S372	E368-S370 PolarHBondContact O-N 2.83Å; E368-S370 VanDerWaalsContact O-N 3.17Å; S370-S372 PolarHBondContact O-N 3.47Å
371	V	37.1	Very low	55.3	Low	71 Å²	71	78.1 Å²	78.1	43%	0.43	47%	0.466	S	S	.	.			trans	-58.5	105.9	170.1	176.3	0	0	0	0	107.6	Q350 L358 E369 V373	Q350-V371 PolarHBondContact NE2-O 3.16Å; L358-V371 HydrophobicContact CD1-CG1 3.4Å; L358-V371 VanDerWaalsContact CD1-CG1 3.4Å; E369-V371 PolarHBondContact O-N 3.47Å; V371-V373 PolarHBondContact O-N 3.38Å; V371-V373 VanDerWaalsContact O-N 3.12Å
372	S	43.5	Very low	58.5	Low	80 Å²	80	70.8 Å²	70.8	56%	0.559	43%	0.426	S	S	*	.			trans	-63	118.1	176.9	99.2	0	0	0	0	108.7	S370 G374	S370-S372 PolarHBondContact O-N 3.47Å; S372-G374 VanDerWaalsContact C-N 3.3Å; S372-G374 PolarHBondContact O-N 2.81Å
373	V	59.8	Low	61.5	Low	25 Å²	25	65.7 Å²	65.7	15%	0.152	40%	0.399	C	S	.	.			trans	-76.1	92.5	176	-167.1	0	0	0	0	105.7	L348 Q350 V371	L348-V373 HydrophobicContact CB-CB 4.1Å; L348-V373 HydrophobicContact CB-CG1 3.64Å; L348-V373 HydrophobicContact CD1-CG1 3.97Å; L348-V373 HydrophobicContact CG-CG1 4.31Å; Q350-V373 HydrophobicContact CG-CG2 3.97Å; V371-V373 PolarHBondContact O-N 3.38Å; V371-V373 VanDerWaalsContact O-N 3.12Å
374	G	69.9	Low	64.4	Low	14 Å²	14	62.3 Å²	62.3	14%	0.144	37%	0.374	C	S	.	.			trans	-61.6	172.2	-168.1	0	0	0	0	0	114.5	S372 R407	S372-G374 VanDerWaalsContact C-N 3.3Å; S372-G374 PolarHBondContact O-N 2.81Å; G374-R407 WeakPolarHBondContact O-CD 3.49Å; G374-R407 PolarHBondContact O-NH1 2.89Å; G374-R407 VanDerWaalsContact O-NH1 3.1Å
375	S	85.5	Confident	67.5	Low	38 Å²	38	53.6 Å²	53.6	27%	0.266	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-42.7	137.8	-179.3	-174	0	0	0	0	116	E345 A346 A377 R407	E345-S375 WeakPolarHBondContact CG-OG 3.47Å; E345-S375 WeakPolarHBondContact OE1-CB 3.49Å; E345-S375 PolarHBondContact OE1-OG 2.98Å; A346-S375 CarbonylContact O-C 3.57Å; A346-S375 WeakPolarHBondContact O-CA 3.4Å; S375-A377 PolarHBondContact OG-O 3.45Å; S375-R407 PolarHBondContact O-NH1 2.97Å
376	V	91.6	Very high	70.7	Confident	1 Å²	1	46.8 Å²	46.8	1%	0.006	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	-12.2	178.8	-69	0	0	0	0	113.6	L207 A346 L348 G404 R407	L207-V376 HydrophobicContact CD1-CG2 4.09Å; L207-V376 HydrophobicContact CD2-CG2 4Å; A346-V376 HydrophobicContact CB-CG2 4.17Å; A346-V376 WeakPolarHBondContact O-CG2 3.29Å; A346-V376 PolarHBondContact O-N 3.21Å; L348-V376 HydrophobicContact CD1-CG1 3.88Å; L348-V376 HydrophobicContact CD2-CG1 4.41Å; L348-V376 HydrophobicContact CD2-CG2 3.99Å; L348-V376 HydrophobicContact CG-CG1 3.79Å; L348-V376 HydrophobicContact CG-CG2 4.07Å; V376-G404 WeakPolarHBondContact O-CA 3.16Å; V376-G404 PolarHBondContact O-N 3.22Å; V376-R407 HydrophobicContact CG1-CB 4.37Å; V376-R407 HydrophobicContact CG1-CG 3.92Å
377	A	94.4	Very high	74	Confident	3 Å²	3	42.5 Å²	42.5	3%	0.025	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	152.9	168.1	0	0	0	0	0	109.7	V203 E345 A346 S375 V401 S402 I403	V203-A377 HydrophobicContact CG1-CB 4.1Å; E345-A377 CarbonylContact C-O 3.55Å; E345-A377 WeakPolarHBondContact CA-O 3.42Å; A346-A377 HydrophobicContact CB-CB 3.87Å; A346-A377 PolarHBondContact N-O 3.27Å; A346-A377 PolarHBondContact O-N 3.48Å; S375-A377 PolarHBondContact OG-O 3.45Å; A377-V401 HydrophobicContact CB-CG2 4.44Å; A377-S402 CarbonylContact C-O 3.49Å; A377-S402 VanDerWaalsContact CA-O 3.29Å; A377-S402 WeakPolarHBondContact CA-O 3.48Å; A377-I403 HydrophobicContact CB-CD1 3.73Å
378	G	94.2	Very high	77.3	Confident	13 Å²	13	43.8 Å²	43.8	13%	0.134	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	152.7	175.2	0	0	0	0	0	111.9	Y344 S402	Y344-G378 CarbonylContact O-C 3.58Å; Y344-G378 VanDerWaalsContact O-CA 3.28Å; Y344-G378 WeakPolarHBondContact O-CA 3.5Å; G378-S402 PolarHBondContact N-O 3.4Å; G378-S402 PolarHBondContact O-N 3.1Å
379	G	95.9	Very high	80.5	Confident	3 Å²	3	36.1 Å²	36.1	3%	0.031	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-176.4	-170.2	-176.4	0	0	0	0	0	112.9	Y339 I343 Y344 G400	Y339-G379 WeakPolarHBondContact OH-CA 3.48Å; I343-G379 WeakPolarHBondContact CA-O 3.14Å; Y344-G379 VanDerWaalsContact CE2-C 3.46Å; Y344-G379 PolarHBondContact N-O 3.19Å; Y344-G379 PolarHBondContact O-N 3.18Å; G379-G400 CarbonylContact C-O 3.58Å; G379-G400 WeakPolarHBondContact CA-O 3.24Å
380	G	97.1	Very high	83.5	Confident	0 Å²	0	28.9 Å²	28.9	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	163.2	-177.6	-178.8	0	0	0	0	0	113.6	Y339 V342 Y382 V399 G400	Y339-G380 VanDerWaalsContact CE1-CA 3.44Å; V342-G380 CarbonylContact O-C 3.54Å; V342-G380 WeakPolarHBondContact O-CA 3.46Å; G380-Y382 WeakPolarHBondContact O-CD1 3.38Å; G380-V399 WeakPolarHBondContact O-CA 3.43Å; G380-G400 PolarHBondContact N-O 3Å; G380-G400 PolarHBondContact O-N 3.31Å; G380-G400 VanDerWaalsContact O-N 3.13Å
381	R	97.9	Very high	86.3	Confident	34 Å²	34	30.9 Å²	30.9	13%	0.128	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	134.1	178.4	173	167.9	-71.7	-81.1	4.2	111.4	D196 Y339 T340 G341 V342 D383 C398 V399	D196-R381 IonicContact OD1-CZ 2.68Å; D196-R381 IonicContact OD1-NE 3.92Å; D196-R381 PolarHBondContact OD1-NE 3.26Å; D196-R381 IonicContact OD1-NH2 3.21Å; D196-R381 PolarHBondContact OD1-NH2 2.87Å; D196-R381 IonicContact OD2-CZ 3.17Å; D196-R381 IonicContact OD2-NE 3.65Å; D196-R381 IonicContact OD2-NH2 3.91Å; D196-R381 PolarHBondContact OD2-NH2 3.03Å; Y339-R381 CarbonylContact C-O 3.44Å; Y339-R381 VanDerWaalsContact CA-O 3.32Å; Y339-R381 WeakPolarHBondContact CA-O 3.43Å; Y339-R381 WeakPolarHBondContact CD1-O 3.22Å; T340-R381 PolarHBondContact N-O 2.91Å; G341-R381 PolarHBondContact N-O 2.84Å; V342-R381 HydrophobicContact CG2-CB 4.09Å; V342-R381 PolarHBondContact O-N 2.78Å; R381-D383 WeakPolarHBondContact CG-OD1 3.29Å; R381-D383 IonicContact CZ-OD1 2.76Å; R381-D383 IonicContact NH1-OD1 2.71Å; R381-D383 PolarHBondContact NH1-OD1 2.81Å; R381-D383 IonicContact NH1-OD2 3.51Å; R381-C398 CarbonylContact C-O 3.52Å; R381-C398 WeakPolarHBondContact CA-O 3.33Å; R381-V399 HydrophobicContact CB-CB 4.25Å; R381-V399 HydrophobicContact CB-CG2 4.27Å
382	Y	96.6	Very high	88.9	Confident	3 Å²	3	36.5 Å²	36.5	1%	0.012	21%	0.211	C	C	.	.			trans	-143.1	62.2	-171.8	56.5	-90.8	0	0	0	113.1	T140 D185 Y338 Y339 G380 G384 L385 C398	T140-Y382 HydrophobicContact CG2-CD1 4.48Å; T140-Y382 HydrophobicContact CG2-CD2 4.18Å; T140-Y382 HydrophobicContact CG2-CE1 3.94Å; T140-Y382 HydrophobicContact CG2-CE2 3.62Å; T140-Y382 VanDerWaalsContact CG2-CZ 3.49Å; D185-Y382 WeakPolarHBondContact OD1-CE1 3.21Å; D185-Y382 VanDerWaalsContact OD1-CZ 3.27Å; D185-Y382 PolarHBondContact OD1-OH 3.41Å; Y338-Y382 HydrophobicContact CD2-CG 4.15Å; Y338-Y382 HydrophobicContact CE2-CD1 4.45Å; Y338-Y382 HydrophobicContact CE2-CG 4.38Å; Y338-Y382 WeakPolarHBondContact O-CA 3.24Å; Y338-Y382 VanDerWaalsContact O-CB 3.22Å; Y338-Y382 WeakPolarHBondContact O-CB 3.24Å; Y339-Y382 HydrophobicContact CD1-CD1 4.47Å; Y339-Y382 HydrophobicContact CE1-CD1 4.27Å; G380-Y382 WeakPolarHBondContact O-CD1 3.38Å; Y382-G384 PolarHBondContact O-N 3.38Å; Y382-L385 HydrophobicContact CD2-CB 3.86Å; Y382-L385 HydrophobicContact CD2-CD2 3.9Å; Y382-L385 HydrophobicContact CE2-CD2 4.18Å; Y382-L385 PolarHBondContact O-N 2.82Å; Y382-C398 HydrophobicContact CD1-CB 4.44Å; Y382-C398 HydrophobicContact CD2-CB 3.69Å; Y382-C398 HydrophobicContact CE1-CB 4.06Å; Y382-C398 HydrophobicContact CE2-CB 3.22Å; Y382-C398 HydrophobicContact CG-CB 4.26Å; Y382-C398 VanDerWaalsContact CZ-CB 3.42Å; Y382-C398 PolarHBondContact N-O 3.35Å
383	D	96.4	Very high	91.3	Very high	43 Å²	43	38.3 Å²	38.3	23%	0.23	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-14.2	-168.5	-58.9	-27.6	0	0	0	114.9	T340 R381 P397 C398	T340-D383 PolarHBondContact OG1-N 2.95Å; R381-D383 WeakPolarHBondContact CG-OD1 3.29Å; R381-D383 IonicContact CZ-OD1 2.76Å; R381-D383 IonicContact NH1-OD1 2.71Å; R381-D383 PolarHBondContact NH1-OD1 2.81Å; R381-D383 IonicContact NH1-OD2 3.51Å; D383-P397 HydrophobicContact CB-CB 4.3Å; D383-P397 WeakPolarHBondContact OD1-CA 3.33Å; D383-P397 VanDerWaalsContact OD1-CB 3.25Å; D383-P397 WeakPolarHBondContact OD1-CB 3.4Å; D383-C398 PolarHBondContact OD1-N 2.87Å; D383-C398 VanDerWaalsContact OD1-N 3.08Å
384	G	94.9	Very high	92.8	Very high	23 Å²	23	41.9 Å²	41.9	24%	0.237	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-21.2	-178.1	0	0	0	0	0	114.8	Y382 V386 G387 M388	Y382-G384 PolarHBondContact O-N 3.38Å; G384-V386 PolarHBondContact O-N 2.68Å; G384-G387 PolarHBondContact O-N 2.91Å; G384-M388 PolarHBondContact O-N 2.79Å
385	L	95.1	Very high	94.1	Very high	1 Å²	1	48.6 Å²	48.6	1%	0.005	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-43.8	-163.9	-172.4	61.1	0	0	0	112.9	T140 V141 A144 Y338 Y382 G387 M388	T140-L385 HydrophobicContact CG2-CD2 3.91Å; V141-L385 HydrophobicContact CG2-CD2 4.35Å; A144-L385 HydrophobicContact CB-CB 4.4Å; A144-L385 HydrophobicContact CB-CD2 3.87Å; A144-L385 HydrophobicContact CB-CG 3.68Å; Y338-L385 HydrophobicContact CD1-CD2 4.49Å; Y338-L385 HydrophobicContact CG-CD2 4.4Å; Y382-L385 HydrophobicContact CD2-CB 3.86Å; Y382-L385 HydrophobicContact CD2-CD2 3.9Å; Y382-L385 HydrophobicContact CE2-CD2 4.18Å; Y382-L385 PolarHBondContact O-N 2.82Å; L385-G387 VanDerWaalsContact C-N 3.29Å; L385-G387 PolarHBondContact O-N 3.01Å; L385-M388 HydrophobicContact CD1-SD 4.27Å; L385-M388 WeakPolarHBondContact O-CB 3.16Å; L385-M388 PolarHBondContact O-N 2.86Å; L385-M388 VanDerWaalsContact O-N 3.15Å
386	V	96.8	Very high	94.7	Very high	2 Å²	2	47.1 Å²	47.1	1%	0.012	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-63.4	-38.1	178.2	-175.1	0	0	0	0	111.2	A144 L147 A148 G384 M388 F389 D390 V396	A144-V386 HydrophobicContact CB-CG2 4.12Å; L147-V386 HydrophobicContact CB-CG1 3.96Å; L147-V386 HydrophobicContact CB-CG2 4.44Å; L147-V386 HydrophobicContact CD1-CG2 3.62Å; A148-V386 HydrophobicContact CB-CG1 4.35Å; G384-V386 PolarHBondContact O-N 2.68Å; V386-M388 PolarHBondContact O-N 3.48Å; V386-M388 VanDerWaalsContact O-N 3.15Å; V386-F389 PolarHBondContact O-N 2.99Å; V386-D390 PolarHBondContact O-N 3.27Å; V386-V396 HydrophobicContact CB-CB 3.95Å; V386-V396 HydrophobicContact CB-CG2 4.42Å; V386-V396 HydrophobicContact CG1-CB 3.89Å; V386-V396 HydrophobicContact CG1-CG2 3.86Å; V386-V396 HydrophobicContact CG2-CB 4.06Å
387	G	95.7	Very high	95	Very high	7 Å²	7	47.8 Å²	47.8	7%	0.072	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-61	-23.5	177.6	0	0	0	0	0	113.2	G384 L385 F389 N393 R394	G384-G387 PolarHBondContact O-N 2.91Å; L385-G387 VanDerWaalsContact C-N 3.29Å; L385-G387 PolarHBondContact O-N 3.01Å; G387-F389 PolarHBondContact O-N 3.42Å; G387-N393 WeakPolarHBondContact O-CA 3.27Å; G387-N393 PolarHBondContact O-OD1 3.4Å; G387-R394 WeakPolarHBondContact CA-O 3.46Å
388	M	94.1	Very high	95.2	Very high	102 Å²	102	47.7 Å²	47.7	50%	0.502	24%	0.243	S	C	.	.	G	3₁₀ helix	trans	-74.1	-12.5	175.3	-53.7	-173.9	177.1	0	0	114.1	K114 G384 L385 V386	K114-M388 HydrophobicContact CD-SD 3.89Å; K114-M388 VanDerWaalsContact NZ-CB 3.3Å; K114-M388 PolarHBondContact NZ-SD 3.29Å; G384-M388 PolarHBondContact O-N 2.79Å; L385-M388 HydrophobicContact CD1-SD 4.27Å; L385-M388 WeakPolarHBondContact O-CB 3.16Å; L385-M388 PolarHBondContact O-N 2.86Å; L385-M388 VanDerWaalsContact O-N 3.15Å; V386-M388 PolarHBondContact O-N 3.48Å; V386-M388 VanDerWaalsContact O-N 3.15Å
389	F	94.1	Very high	95.4	Very high	46 Å²	46	47 Å²	47	20%	0.202	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.5	-21.4	178.7	-67.8	-71.7	0	0	0	112.9	T110 K114 V141 A144 R145 A148 V386 G387 P391	T110-F389 HydrophobicContact CG2-CE1 3.74Å; T110-F389 HydrophobicContact CG2-CZ 4.02Å; T110-F389 WeakPolarHBondContact O-CZ 3.28Å; K114-F389 HydrophobicContact CD-CZ 4.43Å; K114-F389 HydrophobicContact CG-CZ 4.49Å; V141-F389 HydrophobicContact CG1-CE2 4.08Å; V141-F389 HydrophobicContact CG1-CZ 3.69Å; A144-F389 HydrophobicContact CB-CD2 3.86Å; A144-F389 HydrophobicContact CB-CE2 3.88Å; R145-F389 HydrophobicContact CB-CD1 4.4Å; R145-F389 HydrophobicContact CB-CE1 4.41Å; R145-F389 HydrophobicContact CB-CG 4.49Å; R145-F389 HydrophobicContact CB-CZ 4.5Å; A148-F389 HydrophobicContact CB-CB 3.48Å; A148-F389 VanDerWaalsContact CB-CB 3.48Å; V386-F389 PolarHBondContact O-N 2.99Å; G387-F389 PolarHBondContact O-N 3.42Å; F389-P391 WeakPolarHBondContact O-CD 3.36Å
390	D	91.6	Very high	95.5	Very high	10 Å²	10	47.1 Å²	47.1	5%	0.053	24%	0.237	C	C	.	.	S	Bend	trans	-77.8	124.4	177.3	-176.1	-79	0	0	0	109.9	V386 K392 N393 R394	V386-D390 PolarHBondContact O-N 3.27Å; D390-K392 PolarHBondContact O-N 2.73Å; D390-K392 WeakPolarHBondContact OD1-CA 3.06Å; D390-K392 WeakPolarHBondContact OD1-CB 3.32Å; D390-K392 PolarHBondContact OD1-N 2.94Å; D390-N393 WeakPolarHBondContact O-CA 3.42Å; D390-N393 PolarHBondContact O-N 2.99Å; D390-N393 PolarHBondContact OD1-N 3.4Å; D390-R394 HydrophobicContact CB-CB 4.43Å; D390-R394 WeakPolarHBondContact OD1-CB 3.36Å; D390-R394 PolarHBondContact OD1-N 2.68Å; D390-R394 IonicContact OD2-CZ 3.71Å; D390-R394 IonicContact OD2-NE 3.48Å; D390-R394 PolarHBondContact OD2-NE 3.09Å; D390-R394 IonicContact OD2-NH2 3.64Å; D390-R394 PolarHBondContact OD2-NH2 2.9Å
391	P	89.4	Confident	95.5	Very high	129 Å²	129	47.2 Å²	47.2	84%	0.838	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-17.7	-177.8	-26.7	34.9	0	0	0	115.1	F389	F389-P391 WeakPolarHBondContact O-CD 3.36Å
392	K	93.2	Very high	95.4	Very high	189 Å²	189	46.5 Å²	46.5	82%	0.822	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-102.1	9.6	176.5	-60.8	-178.5	177.4	-176	0	112.1	D390 R394	D390-K392 PolarHBondContact O-N 2.73Å; D390-K392 WeakPolarHBondContact OD1-CA 3.06Å; D390-K392 WeakPolarHBondContact OD1-CB 3.32Å; D390-K392 PolarHBondContact OD1-N 2.94Å; K392-R394 PolarHBondContact O-N 3.24Å; K392-R394 VanDerWaalsContact O-N 3.14Å
393	N	92.4	Very high	95.4	Very high	119 Å²	119	46.3 Å²	46.3	64%	0.636	24%	0.238	S	C	*	.			trans	51.9	31.1	-174.4	-63.6	-37.2	0	0	0	113.3	G387 D390 K395	G387-N393 WeakPolarHBondContact O-CA 3.27Å; G387-N393 PolarHBondContact O-OD1 3.4Å; D390-N393 WeakPolarHBondContact O-CA 3.42Å; D390-N393 PolarHBondContact O-N 2.99Å; D390-N393 PolarHBondContact OD1-N 3.4Å; N393-K395 PolarHBondContact O-N 3.47Å
394	R	93.1	Very high	95	Very high	99 Å²	99	45.9 Å²	45.9	37%	0.374	24%	0.243	S	C	.	.			trans	-66.7	121.7	177.2	176.8	174.3	41.8	155.5	2.5	109.1	G387 D390 K392	G387-R394 WeakPolarHBondContact CA-O 3.46Å; D390-R394 HydrophobicContact CB-CB 4.43Å; D390-R394 WeakPolarHBondContact OD1-CB 3.36Å; D390-R394 PolarHBondContact OD1-N 2.68Å; D390-R394 IonicContact OD2-CZ 3.71Å; D390-R394 IonicContact OD2-NE 3.48Å; D390-R394 PolarHBondContact OD2-NE 3.09Å; D390-R394 IonicContact OD2-NH2 3.64Å; D390-R394 PolarHBondContact OD2-NH2 2.9Å; K392-R394 PolarHBondContact O-N 3.24Å; K392-R394 VanDerWaalsContact O-N 3.14Å
395	K	95.3	Very high	94.6	Very high	155 Å²	155	44.8 Å²	44.8	67%	0.674	23%	0.232	S	C	*	.			trans	-75.9	137.2	176.4	-62.7	-173.9	178.9	-176	0	110.2	N393	N393-K395 PolarHBondContact O-N 3.47Å
396	V	98	Very high	94.3	Very high	7 Å²	7	45.1 Å²	45.1	4%	0.042	23%	0.233	C	C	.	.			trans	-123	106.9	166.2	178.3	0	0	0	0	105	L147 T153 A187 V386 C398	L147-V396 HydrophobicContact CD1-CG1 4.49Å; T153-V396 WeakPolarHBondContact O-CG1 3.39Å; A187-V396 HydrophobicContact CB-CG1 4.07Å; V386-V396 HydrophobicContact CB-CB 3.95Å; V386-V396 HydrophobicContact CB-CG2 4.42Å; V386-V396 HydrophobicContact CG1-CB 3.89Å; V386-V396 HydrophobicContact CG1-CG2 3.86Å; V386-V396 HydrophobicContact CG2-CB 4.06Å; V396-C398 PolarHBondContact O-SG 3.45Å; V396-C398 VanDerWaalsContact O-SG 3.42Å
397	P	98.3	Very high	93.7	Very high	16 Å²	16	48.9 Å²	48.9	10%	0.104	25%	0.247	C	C	.	.			trans	-58.8	138.3	177.9	-22.7	32.9	0	0	0	110.5	A187 G188 D383	A187-P397 CarbonylContact C-O 3.46Å; A187-P397 WeakPolarHBondContact CA-O 3.19Å; G188-P397 PolarHBondContact N-O 3.25Å; D383-P397 HydrophobicContact CB-CB 4.3Å; D383-P397 WeakPolarHBondContact OD1-CA 3.33Å; D383-P397 VanDerWaalsContact OD1-CB 3.25Å; D383-P397 WeakPolarHBondContact OD1-CB 3.4Å
398	C	98.6	Very high	93.4	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	140.4	-177.4	-67.6	0	0	0	0	110.2	I186 A187 R381 Y382 D383 V396	I186-C398 WeakPolarHBondContact O-CA 3.18Å; A187-C398 VanDerWaalsContact CB-SG 3.57Å; R381-C398 CarbonylContact C-O 3.52Å; R381-C398 WeakPolarHBondContact CA-O 3.33Å; Y382-C398 HydrophobicContact CD1-CB 4.44Å; Y382-C398 HydrophobicContact CD2-CB 3.69Å; Y382-C398 HydrophobicContact CE1-CB 4.06Å; Y382-C398 HydrophobicContact CE2-CB 3.22Å; Y382-C398 HydrophobicContact CG-CB 4.26Å; Y382-C398 VanDerWaalsContact CZ-CB 3.42Å; Y382-C398 PolarHBondContact N-O 3.35Å; D383-C398 PolarHBondContact OD1-N 2.87Å; D383-C398 VanDerWaalsContact OD1-N 3.08Å; V396-C398 PolarHBondContact O-SG 3.45Å; V396-C398 VanDerWaalsContact O-SG 3.42Å
399	V	98.7	Very high	93.1	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	143.2	167.7	60.5	0	0	0	0	109	D185 I186 P195 D196 Y344 G380 R381	D185-V399 WeakPolarHBondContact CA-O 3.39Å; I186-V399 HydrophobicContact CB-CG1 4.33Å; I186-V399 PolarHBondContact N-O 2.72Å; I186-V399 PolarHBondContact O-N 3.34Å; P195-V399 HydrophobicContact CB-CG1 3.65Å; D196-V399 HydrophobicContact CB-CG2 4.34Å; Y344-V399 HydrophobicContact CE1-CG2 4.47Å; G380-V399 WeakPolarHBondContact O-CA 3.43Å; R381-V399 HydrophobicContact CB-CB 4.25Å; R381-V399 HydrophobicContact CB-CG2 4.27Å
400	G	98	Very high	92.6	Very high	4 Å²	4	42.7 Å²	42.7	4%	0.041	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-173.9	179.2	176.7	0	0	0	0	0	114.6	F184 D185 Y344 G379 G380	F184-G400 CarbonylContact O-C 3.37Å; F184-G400 WeakPolarHBondContact O-CA 3.47Å; D185-G400 VanDerWaalsContact OD1-CA 3.28Å; D185-G400 WeakPolarHBondContact OD1-CA 3.44Å; Y344-G400 VanDerWaalsContact OH-C 3.28Å; Y344-G400 PolarHBondContact OH-O 3.45Å; G379-G400 CarbonylContact C-O 3.58Å; G379-G400 WeakPolarHBondContact CA-O 3.24Å; G380-G400 PolarHBondContact N-O 3Å; G380-G400 PolarHBondContact O-N 3.31Å; G380-G400 VanDerWaalsContact O-N 3.13Å
401	V	97.4	Very high	92.2	Very high	2 Å²	2	43.6 Å²	43.6	1%	0.012	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	145.2	-169.9	66	0	0	0	0	111.7	D183 F184 V203 Y344 A377 I403	D183-V401 CarbonylContact C-O 3.53Å; D183-V401 VanDerWaalsContact CA-O 3.27Å; D183-V401 WeakPolarHBondContact CA-O 3.35Å; F184-V401 HydrophobicContact CB-CG1 4.15Å; F184-V401 PolarHBondContact N-O 3.31Å; F184-V401 PolarHBondContact O-N 3.08Å; V203-V401 HydrophobicContact CG2-CB 4.18Å; V203-V401 HydrophobicContact CG2-CG1 4.15Å; V203-V401 HydrophobicContact CG2-CG2 3.42Å; V203-V401 VanDerWaalsContact CG2-CG2 3.42Å; Y344-V401 HydrophobicContact CE2-CB 3.87Å; Y344-V401 HydrophobicContact CE2-CG2 3.86Å; A377-V401 HydrophobicContact CB-CG2 4.44Å; V401-I403 HydrophobicContact CG2-CD1 4.42Å
402	S	96.7	Very high	92.1	Very high	19 Å²	19	38.9 Å²	38.9	13%	0.133	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	126.5	171.8	-167.6	0	0	0	0	109.7	Q181 C182 D183 A377 G378	Q181-S402 PolarHBondContact NE2-OG 2.88Å; Q181-S402 VanDerWaalsContact NE2-OG 3.1Å; C182-S402 WeakPolarHBondContact O-CA 3.49Å; D183-S402 WeakPolarHBondContact OD1-CB 3.27Å; D183-S402 PolarHBondContact OD1-OG 3.08Å; A377-S402 CarbonylContact C-O 3.49Å; A377-S402 VanDerWaalsContact CA-O 3.29Å; A377-S402 WeakPolarHBondContact CA-O 3.48Å; G378-S402 PolarHBondContact N-O 3.4Å; G378-S402 PolarHBondContact O-N 3.1Å
403	I	95.8	Very high	91.7	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	121.8	172.4	-49	-58.3	0	0	0	109.3	I88 C182 V203 I206 A377 V401 I405 I408	I88-I403 HydrophobicContact CD1-CG2 4.25Å; C182-I403 HydrophobicContact CB-CB 4.13Å; C182-I403 PolarHBondContact O-N 2.89Å; V203-I403 HydrophobicContact CG2-CD1 4.39Å; I206-I403 HydrophobicContact CD1-CD1 4.18Å; I206-I403 HydrophobicContact CD1-CG1 4.09Å; A377-I403 HydrophobicContact CB-CD1 3.73Å; V401-I403 HydrophobicContact CG2-CD1 4.42Å; I403-I405 PolarHBondContact O-N 2.73Å; I403-I408 HydrophobicContact CG2-CD1 3.49Å; I403-I408 VanDerWaalsContact CG2-CD1 3.49Å
404	G	87.2	Confident	91.2	Very high	33 Å²	33	30.6 Å²	30.6	34%	0.34	15%	0.151	S	C	.	.			trans	-74.3	68.9	176.6	0	0	0	0	0	112.2	V376 E406 R407	V376-G404 WeakPolarHBondContact O-CA 3.16Å; V376-G404 PolarHBondContact O-N 3.22Å; G404-E406 VanDerWaalsContact C-N 3.33Å; G404-E406 PolarHBondContact O-N 3.42Å; G404-R407 PolarHBondContact O-N 3.2Å
405	I	88.3	Confident	90.7	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-68.7	-23.8	-164.4	-157.9	175.8	0	0	0	114.7	V84 F85 I88 I403 R407 I408 F409	V84-I405 HydrophobicContact CG1-CD1 3.66Å; V84-I405 HydrophobicContact CG1-CG1 3.8Å; F85-I405 HydrophobicContact CD1-CD1 3.54Å; F85-I405 HydrophobicContact CE1-CD1 3.4Å; F85-I405 HydrophobicContact CG-CD1 4.4Å; F85-I405 HydrophobicContact CZ-CD1 4.17Å; I88-I405 HydrophobicContact CD1-CD1 3.58Å; I88-I405 HydrophobicContact CD1-CG1 4.11Å; I403-I405 PolarHBondContact O-N 2.73Å; I405-R407 VanDerWaalsContact C-N 3.3Å; I405-R407 PolarHBondContact O-N 3.42Å; I405-I408 WeakPolarHBondContact O-CB 3.41Å; I405-I408 PolarHBondContact O-N 3.2Å; I405-I408 VanDerWaalsContact O-N 3.16Å; I405-F409 HydrophobicContact CB-CE2 4.26Å; I405-F409 HydrophobicContact CB-CZ 4.24Å; I405-F409 HydrophobicContact CD1-CE1 3.53Å; I405-F409 HydrophobicContact CD1-CE2 4.08Å; I405-F409 HydrophobicContact CD1-CZ 3.24Å; I405-F409 HydrophobicContact CG1-CD1 4.11Å; I405-F409 HydrophobicContact CG1-CD2 4.37Å; I405-F409 HydrophobicContact CG1-CE1 3.51Å; I405-F409 HydrophobicContact CG1-CE2 3.85Å; I405-F409 HydrophobicContact CG1-CZ 3.39Å; I405-F409 HydrophobicContact CG2-CD2 4.38Å; I405-F409 HydrophobicContact CG2-CE2 3.68Å; I405-F409 HydrophobicContact CG2-CZ 3.97Å; I405-F409 VanDerWaalsContact O-CD2 3.3Å; I405-F409 WeakPolarHBondContact O-CD2 3.43Å; I405-F409 VanDerWaalsContact O-CG 3.25Å; I405-F409 WeakPolarHBondContact O-CG 3.39Å; I405-F409 PolarHBondContact O-N 2.94Å
406	E	88	Confident	90.1	Very high	9 Å²	9	25.3 Å²	25.3	4%	0.042	13%	0.128	C	C	.	.	H	α-helix	trans	-63.4	-34.8	178.2	-69.5	-60.4	148.9	0	0	113.3	R71 R81 Y176 F179 Y180 G404 S410	R71-E406 IonicContact CZ-OE2 2.79Å; R71-E406 IonicContact NH2-OE2 3.93Å; R71-E406 PolarHBondContact NH2-OE2 3.34Å; R81-E406 IonicContact NH1-OE1 3.42Å; R81-E406 IonicContact NH2-OE1 2.89Å; R81-E406 PolarHBondContact NH2-OE1 3.41Å; R81-E406 IonicContact NH2-OE2 3.8Å; R81-E406 PolarHBondContact NH2-OE2 3.19Å; Y176-E406 HydrophobicContact CD2-CB 4.24Å; Y176-E406 HydrophobicContact CD2-CG 4.08Å; Y176-E406 HydrophobicContact CE2-CB 4.19Å; Y176-E406 HydrophobicContact CE2-CG 4.38Å; F179-E406 HydrophobicContact CB-CG 3.44Å; F179-E406 VanDerWaalsContact CB-CG 3.44Å; F179-E406 HydrophobicContact CG-CG 4.48Å; Y180-E406 PolarHBondContact N-OE1 3.4Å; G404-E406 VanDerWaalsContact C-N 3.33Å; G404-E406 PolarHBondContact O-N 3.42Å; E406-S410 PolarHBondContact O-N 2.94Å; E406-S410 VanDerWaalsContact O-N 3.12Å; E406-S410 PolarHBondContact O-OG 3.43Å
407	R	84.8	Confident	89.5	Confident	80 Å²	80	31.9 Å²	31.9	30%	0.302	16%	0.158	S	C	.	.	H	α-helix	trans	-70	-40.7	175	177.7	167.6	-95	147.7	-9.6	110.6	G374 S375 V376 G404 I405 S410 I411	G374-R407 WeakPolarHBondContact O-CD 3.49Å; G374-R407 PolarHBondContact O-NH1 2.89Å; G374-R407 VanDerWaalsContact O-NH1 3.1Å; S375-R407 PolarHBondContact O-NH1 2.97Å; V376-R407 HydrophobicContact CG1-CB 4.37Å; V376-R407 HydrophobicContact CG1-CG 3.92Å; G404-R407 PolarHBondContact O-N 3.2Å; I405-R407 VanDerWaalsContact C-N 3.3Å; I405-R407 PolarHBondContact O-N 3.42Å; R407-S410 PolarHBondContact O-N 3.26Å; R407-I411 HydrophobicContact CG-CD1 4.04Å; R407-I411 WeakPolarHBondContact O-CG1 3.49Å; R407-I411 PolarHBondContact O-N 3.12Å
408	I	87.7	Confident	88.8	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-58.3	-48.5	174.7	-62.1	-178.5	0	0	0	110.5	V84 L207 L210 L212 I403 I405 S410 I411 M412	V84-I408 HydrophobicContact CG1-CG2 3.91Å; V84-I408 HydrophobicContact CG2-CG2 4.33Å; L207-I408 HydrophobicContact CD2-CD1 4.35Å; L210-I408 HydrophobicContact CD1-CD1 3.95Å; L210-I408 HydrophobicContact CD1-CG2 3.99Å; L212-I408 HydrophobicContact CD1-CB 4.23Å; L212-I408 HydrophobicContact CD1-CD1 4.03Å; L212-I408 HydrophobicContact CD1-CG1 3.73Å; L212-I408 HydrophobicContact CD1-CG2 3.83Å; L212-I408 HydrophobicContact CD2-CG2 4.09Å; I403-I408 HydrophobicContact CG2-CD1 3.49Å; I403-I408 VanDerWaalsContact CG2-CD1 3.49Å; I405-I408 WeakPolarHBondContact O-CB 3.41Å; I405-I408 PolarHBondContact O-N 3.2Å; I405-I408 VanDerWaalsContact O-N 3.16Å; I408-S410 VanDerWaalsContact C-N 3.31Å; I408-S410 PolarHBondContact O-N 3.08Å; I408-I411 PolarHBondContact O-N 3.07Å; I408-M412 HydrophobicContact CG2-CG 4.48Å; I408-M412 HydrophobicContact CG2-SD 3.96Å; I408-M412 WeakPolarHBondContact O-CG 3.47Å; I408-M412 PolarHBondContact O-N 3.13Å
409	F	88.2	Confident	88.1	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-57	-45.1	176.5	-63.1	-34.6	0	0	0	112	R81 V84 F85 I405 I411 M412 E413	R81-F409 HydrophobicContact CB-CD1 4.32Å; R81-F409 HydrophobicContact CB-CE1 3.79Å; R81-F409 HydrophobicContact CB-CZ 3.9Å; R81-F409 HydrophobicContact CG-CD1 3.68Å; R81-F409 HydrophobicContact CG-CD2 3.97Å; R81-F409 HydrophobicContact CG-CE1 3.56Å; R81-F409 HydrophobicContact CG-CE2 3.84Å; R81-F409 HydrophobicContact CG-CG 3.88Å; R81-F409 HydrophobicContact CG-CZ 3.62Å; V84-F409 HydrophobicContact CB-CD1 4.3Å; V84-F409 HydrophobicContact CB-CE1 3.81Å; V84-F409 HydrophobicContact CG1-CD1 4.43Å; V84-F409 HydrophobicContact CG1-CE1 3.95Å; V84-F409 HydrophobicContact CG2-CD1 4.17Å; V84-F409 HydrophobicContact CG2-CE1 4.17Å; F85-F409 HydrophobicContact CD2-CZ 4.46Å; F85-F409 HydrophobicContact CE1-CZ 4.05Å; F85-F409 AromaticContact CE2-CZ 3.87Å; F85-F409 HydrophobicContact CE2-CZ 3.87Å; F85-F409 HydrophobicContact CZ-CE2 4.26Å; F85-F409 AromaticContact CZ-CZ 3.64Å; F85-F409 HydrophobicContact CZ-CZ 3.64Å; I405-F409 HydrophobicContact CB-CE2 4.26Å; I405-F409 HydrophobicContact CB-CZ 4.24Å; I405-F409 HydrophobicContact CD1-CE1 3.53Å; I405-F409 HydrophobicContact CD1-CE2 4.08Å; I405-F409 HydrophobicContact CD1-CZ 3.24Å; I405-F409 HydrophobicContact CG1-CD1 4.11Å; I405-F409 HydrophobicContact CG1-CD2 4.37Å; I405-F409 HydrophobicContact CG1-CE1 3.51Å; I405-F409 HydrophobicContact CG1-CE2 3.85Å; I405-F409 HydrophobicContact CG1-CZ 3.39Å; I405-F409 HydrophobicContact CG2-CD2 4.38Å; I405-F409 HydrophobicContact CG2-CE2 3.68Å; I405-F409 HydrophobicContact CG2-CZ 3.97Å; I405-F409 VanDerWaalsContact O-CD2 3.3Å; I405-F409 WeakPolarHBondContact O-CD2 3.43Å; I405-F409 VanDerWaalsContact O-CG 3.25Å; I405-F409 WeakPolarHBondContact O-CG 3.39Å; I405-F409 PolarHBondContact O-N 2.94Å; F409-I411 VanDerWaalsContact C-N 3.32Å; F409-I411 PolarHBondContact O-N 3.42Å; F409-M412 PolarHBondContact O-N 3.38Å; F409-E413 VanDerWaalsContact O-CB 3.3Å; F409-E413 WeakPolarHBondContact O-CB 3.35Å; F409-E413 VanDerWaalsContact O-CG 3.24Å; F409-E413 WeakPolarHBondContact O-CG 3.43Å; F409-E413 PolarHBondContact O-N 3.32Å
410	S	84.2	Confident	87.3	Confident	26 Å²	26	43 Å²	43	18%	0.182	25%	0.251	C	S	.	.	H	α-helix	trans	-61.3	-41.9	-179.5	-54.9	0	0	0	0	111.8	E406 R407 I408 Q414	E406-S410 PolarHBondContact O-N 2.94Å; E406-S410 VanDerWaalsContact O-N 3.12Å; E406-S410 PolarHBondContact O-OG 3.43Å; R407-S410 PolarHBondContact O-N 3.26Å; I408-S410 VanDerWaalsContact C-N 3.31Å; I408-S410 PolarHBondContact O-N 3.08Å; S410-Q414 WeakPolarHBondContact O-CB 3.31Å; S410-Q414 VanDerWaalsContact O-CG 3.24Å; S410-Q414 WeakPolarHBondContact O-CG 3.49Å; S410-Q414 PolarHBondContact O-N 2.98Å; S410-Q414 VanDerWaalsContact O-N 3.1Å
411	I	84	Confident	86.4	Confident	28 Å²	28	47.3 Å²	47.3	14%	0.144	27%	0.27	C	S	.	.	H	α-helix	trans	-66.5	-44.7	177.7	-67.6	167	0	0	0	110.9	L212 L348 R407 I408 F409 Q414 R415	L212-I411 HydrophobicContact CD2-CG2 4.17Å; L348-I411 HydrophobicContact CD1-CD1 3.25Å; R407-I411 HydrophobicContact CG-CD1 4.04Å; R407-I411 WeakPolarHBondContact O-CG1 3.49Å; R407-I411 PolarHBondContact O-N 3.12Å; I408-I411 PolarHBondContact O-N 3.07Å; F409-I411 VanDerWaalsContact C-N 3.32Å; F409-I411 PolarHBondContact O-N 3.42Å; I411-Q414 PolarHBondContact O-N 2.91Å; I411-R415 WeakPolarHBondContact O-CB 3.39Å; I411-R415 PolarHBondContact O-N 3.33Å
412	M	85.4	Confident	85.8	Confident	31 Å²	31	53 Å²	53	15%	0.153	30%	0.295	C	S	.	.	H	α-helix	trans	-70.1	-37.5	-179.4	-68.4	-175	70.4	0	0	112.7	I80 V84 L210 L212 I408 F409 R415 A416	I80-M412 HydrophobicContact CG2-CB 3.8Å; V84-M412 HydrophobicContact CG2-CE 3.77Å; V84-M412 HydrophobicContact CG2-SD 3.17Å; V84-M412 WeakPolarHBondContact CG2-SD 3.36Å; L210-M412 HydrophobicContact CD2-SD 4.33Å; L212-M412 HydrophobicContact CD2-CG 3.68Å; L212-M412 HydrophobicContact CD2-SD 4.1Å; I408-M412 HydrophobicContact CG2-CG 4.48Å; I408-M412 HydrophobicContact CG2-SD 3.96Å; I408-M412 WeakPolarHBondContact O-CG 3.47Å; I408-M412 PolarHBondContact O-N 3.13Å; F409-M412 PolarHBondContact O-N 3.38Å; M412-R415 PolarHBondContact O-N 2.97Å; M412-A416 WeakPolarHBondContact O-CB 3.37Å; M412-A416 PolarHBondContact O-N 3.37Å
413	E	84.8	Confident	85.4	Confident	32 Å²	32	53.6 Å²	53.6	15%	0.15	30%	0.297	C	S	.	.	H	α-helix	trans	-59.5	-46.7	172.4	-75.9	174.2	-157.4	0	0	110.8	Q77 I80 F409 A416 E417	Q77-E413 HydrophobicContact CG-CG 4.48Å; Q77-E413 PolarHBondContact NE2-OE2 3.44Å; I80-E413 HydrophobicContact CD1-CB 4.46Å; I80-E413 HydrophobicContact CD1-CG 3.86Å; I80-E413 HydrophobicContact CG2-CG 4.47Å; F409-E413 VanDerWaalsContact O-CB 3.3Å; F409-E413 WeakPolarHBondContact O-CB 3.35Å; F409-E413 VanDerWaalsContact O-CG 3.24Å; F409-E413 WeakPolarHBondContact O-CG 3.43Å; F409-E413 PolarHBondContact O-N 3.32Å; E413-A416 PolarHBondContact O-N 2.89Å; E413-E417 WeakPolarHBondContact O-CB 3.47Å; E413-E417 PolarHBondContact O-N 3.05Å
414	Q	82.2	Confident	85.2	Confident	102 Å²	102	57.5 Å²	57.5	48%	0.477	31%	0.312	S	S	.	.	H	α-helix	trans	-65.1	-41.9	177	-73.4	173.7	5.9	0	0	112.5	S410 I411 E417 A418	S410-Q414 WeakPolarHBondContact O-CB 3.31Å; S410-Q414 VanDerWaalsContact O-CG 3.24Å; S410-Q414 WeakPolarHBondContact O-CG 3.49Å; S410-Q414 PolarHBondContact O-N 2.98Å; S410-Q414 VanDerWaalsContact O-N 3.1Å; I411-Q414 PolarHBondContact O-N 2.91Å; Q414-E417 PolarHBondContact O-N 3.18Å; Q414-A418 WeakPolarHBondContact O-CB 3.05Å; Q414-A418 PolarHBondContact O-N 3.25Å
415	R	83	Confident	85.5	Confident	138 Å²	138	59.4 Å²	59.4	52%	0.521	32%	0.317	S	S	.	.	H	α-helix	trans	-62.2	-44	176.5	-175.8	175.7	173.9	-170.1	-6.9	111.3	E211 I411 M412 E417 A418 A419	E211-R415 PolarHBondContact O-NH1 3.42Å; E211-R415 IonicContact OE2-NH1 3.02Å; E211-R415 IonicContact OE2-NH2 2.69Å; I411-R415 WeakPolarHBondContact O-CB 3.39Å; I411-R415 PolarHBondContact O-N 3.33Å; M412-R415 PolarHBondContact O-N 2.97Å; R415-E417 VanDerWaalsContact C-N 3.32Å; R415-E417 PolarHBondContact O-N 3.41Å; R415-A418 PolarHBondContact O-N 2.96Å; R415-A419 WeakPolarHBondContact O-CB 3.45Å; R415-A419 PolarHBondContact O-N 3.18Å
416	A	83.5	Confident	85.9	Confident	5 Å²	5	61.4 Å²	61.4	4%	0.041	33%	0.33	C	S	.	.	H	α-helix	trans	-65	-36.1	177.1	0	0	0	0	0	112.2	I80 M412 E413 A420 E421 V423	I80-A416 HydrophobicContact CD1-CB 4.13Å; M412-A416 WeakPolarHBondContact O-CB 3.37Å; M412-A416 PolarHBondContact O-N 3.37Å; E413-A416 PolarHBondContact O-N 2.89Å; A416-A420 PolarHBondContact O-N 3.35Å; A416-E421 PolarHBondContact O-N 3.07Å; A416-V423 HydrophobicContact CB-CG2 4.09Å
417	E	84.3	Confident	86.2	Confident	145 Å²	145	67 Å²	67	68%	0.678	36%	0.356	S	S	*	.	H	α-helix	trans	-68.5	-46.4	174.2	-172.4	167.4	-158.6	0	0	112.1	E413 Q414 R415 A419 A420	E413-E417 WeakPolarHBondContact O-CB 3.47Å; E413-E417 PolarHBondContact O-N 3.05Å; Q414-E417 PolarHBondContact O-N 3.18Å; R415-E417 VanDerWaalsContact C-N 3.32Å; R415-E417 PolarHBondContact O-N 3.41Å; E417-A419 VanDerWaalsContact C-N 3.32Å; E417-A419 PolarHBondContact O-N 3.29Å; E417-A420 PolarHBondContact O-N 2.92Å; E417-A420 VanDerWaalsContact O-N 3.07Å
418	A	84.6	Confident	86.8	Confident	92 Å²	92	63.7 Å²	63.7	76%	0.76	34%	0.344	S	S	*	.	H	α-helix	trans	-63.7	-35.4	178.3	0	0	0	0	0	112.9	Q414 R415 A420	Q414-A418 WeakPolarHBondContact O-CB 3.05Å; Q414-A418 PolarHBondContact O-N 3.25Å; R415-A418 PolarHBondContact O-N 2.96Å; A418-A420 PolarHBondContact O-N 3.5Å
419	A	83.5	Confident	87.3	Confident	68 Å²	68	65.4 Å²	65.4	56%	0.562	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-3.3	176.2	0	0	0	0	0	113.6	R415 E417 E421	R415-A419 WeakPolarHBondContact O-CB 3.45Å; R415-A419 PolarHBondContact O-N 3.18Å; E417-A419 VanDerWaalsContact C-N 3.32Å; E417-A419 PolarHBondContact O-N 3.29Å; A419-E421 HydrophobicContact CB-CB 4.21Å; A419-E421 PolarHBondContact O-N 3.12Å; A419-E421 VanDerWaalsContact O-N 3.09Å
420	A	82.9	Confident	87.7	Confident	89 Å²	89	65.4 Å²	65.4	74%	0.736	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.7	33.1	-167.2	0	0	0	0	0	112.2	A416 E417 A418 K422	A416-A420 PolarHBondContact O-N 3.35Å; E417-A420 PolarHBondContact O-N 2.92Å; E417-A420 VanDerWaalsContact O-N 3.07Å; A418-A420 PolarHBondContact O-N 3.5Å; A420-K422 PolarHBondContact O-N 3.44Å
421	E	78.3	Confident	88.4	Confident	94 Å²	94	64.1 Å²	64.1	44%	0.439	34%	0.344	S	S	.	.			trans	-69.2	127.8	-173.7	-173	-178.3	171	0	0	109.4	A416 A419 V423	A416-E421 PolarHBondContact O-N 3.07Å; A419-E421 HydrophobicContact CB-CB 4.21Å; A419-E421 PolarHBondContact O-N 3.12Å; A419-E421 VanDerWaalsContact O-N 3.09Å; E421-V423 VanDerWaalsContact C-N 3.31Å; E421-V423 PolarHBondContact O-N 3.19Å
422	K	83.9	Confident	89.1	Confident	122 Å²	122	62.8 Å²	62.8	53%	0.53	34%	0.337	S	S	.	.			trans	-78	85.4	174	-170	171.4	-175.4	157.3	0	110	A420 R424 E475 E476	A420-K422 PolarHBondContact O-N 3.44Å; K422-R424 PolarHBondContact O-N 3.45Å; K422-E475 PolarHBondContact NZ-O 2.78Å; K422-E476 WeakPolarHBondContact CE-O 3.44Å; K422-E476 PolarHBondContact NZ-O 3.07Å
423	V	88.6	Confident	89.7	Confident	31 Å²	31	61.3 Å²	61.3	19%	0.188	33%	0.33	C	S	.	.			trans	-69.4	115.8	173.8	-177.9	0	0	0	0	109.2	K76 A79 I80 A416 E421	K76-V423 HydrophobicContact CG-CB 4.15Å; K76-V423 HydrophobicContact CG-CG1 4.37Å; A79-V423 HydrophobicContact CB-CG1 3.85Å; I80-V423 HydrophobicContact CD1-CG2 4.47Å; I80-V423 HydrophobicContact CG1-CG1 4.23Å; I80-V423 HydrophobicContact CG1-CG2 4.48Å; A416-V423 HydrophobicContact CB-CG2 4.09Å; E421-V423 VanDerWaalsContact C-N 3.31Å; E421-V423 PolarHBondContact O-N 3.19Å
424	R	92.3	Very high	90.3	Very high	82 Å²	82	59.8 Å²	59.8	31%	0.309	32%	0.322	S	S	.	.			trans	-69.1	134.2	172.8	-65.8	-173.1	64.2	-167.4	-0.5	109.7	A79 K422 T426 V428 G478	A79-R424 WeakPolarHBondContact CB-O 3.4Å; K422-R424 PolarHBondContact O-N 3.45Å; R424-T426 PolarHBondContact NH2-O 3.09Å; R424-V428 PolarHBondContact NH2-O 2.93Å; R424-G478 PolarHBondContact NE-O 3.38Å; R424-G478 PolarHBondContact NH2-O 2.83Å
425	T	94.3	Very high	90.9	Very high	74 Å²	74	57.8 Å²	57.8	45%	0.454	32%	0.323	S	S	.	.	S	Bend	trans	-105.1	2.6	178.4	61.8	0	0	0	0	112.8	P75 K76	P75-T425 HydrophobicContact CB-CG2 3.9Å; K76-T425 HydrophobicContact CB-CG2 4.29Å
426	T	94.6	Very high	91.5	Very high	42 Å²	42	55 Å²	55	26%	0.258	32%	0.316	S	S	.	.			trans	-141	155.2	175.7	73.2	0	0	0	0	109.4	R424	R424-T426 PolarHBondContact NH2-O 3.09Å
427	E	94.8	Very high	92.1	Very high	126 Å²	126	61.9 Å²	61.9	59%	0.589	35%	0.345	S	S	*	.			trans	-101.6	20	-179.4	-60.1	-176.8	159.9	0	0	112.4	Q429 K456	E427-Q429 PolarHBondContact O-N 3.5Å; E427-K456 HydrophobicContact CB-CD 3.62Å; E427-K456 WeakPolarHBondContact O-CB 3.34Å; E427-K456 WeakPolarHBondContact O-CD 3.5Å; E427-K456 WeakPolarHBondContact OE2-CE 3.13Å; E427-K456 IonicContact OE2-NZ 3.78Å; E427-K456 PolarHBondContact OE2-NZ 3.21Å
428	V	97.4	Very high	92.6	Very high	10 Å²	10	61.7 Å²	61.7	6%	0.061	35%	0.349	C	S	.	.			trans	-61.7	121.3	-176.3	179.3	0	0	0	0	110.2	R424 K456 E458 I479 P480	R424-V428 PolarHBondContact NH2-O 2.93Å; V428-K456 CarbonylContact C-O 3.59Å; V428-K456 WeakPolarHBondContact CA-O 3.41Å; V428-E458 HydrophobicContact CG1-CB 4.07Å; V428-E458 HydrophobicContact CG1-CG 4.09Å; V428-E458 HydrophobicContact CG2-CG 3.74Å; V428-E458 VanDerWaalsContact CG2-OE1 3.25Å; V428-E458 WeakPolarHBondContact CG2-OE1 3.32Å; V428-I479 HydrophobicContact CB-CD1 4.08Å; V428-I479 HydrophobicContact CB-CG1 3.97Å; V428-I479 HydrophobicContact CG1-CD1 3.62Å; V428-I479 HydrophobicContact CG1-CG1 3.89Å; V428-I479 HydrophobicContact CG1-CG2 4.09Å; V428-P480 WeakPolarHBondContact O-CD 3.26Å
429	Q	97.9	Very high	93.2	Very high	36 Å²	36	57.9 Å²	57.9	17%	0.168	32%	0.315	C	S	.	.			trans	-84.1	-36.1	-179.9	-71	169.4	-68.6	0	0	111.5	E427 I455 K456 P480 L481 I517 T521	E427-Q429 PolarHBondContact O-N 3.5Å; Q429-I455 HydrophobicContact CB-CG2 4.38Å; Q429-K456 HydrophobicContact CG-CB 4.2Å; Q429-K456 PolarHBondContact N-O 3.49Å; Q429-P480 WeakPolarHBondContact O-CD 3.37Å; Q429-P480 WeakPolarHBondContact O-CG 3.38Å; Q429-L481 WeakPolarHBondContact O-CB 3.49Å; Q429-L481 PolarHBondContact O-N 2.99Å; Q429-I517 HydrophobicContact CB-CG2 4.41Å; Q429-T521 HydrophobicContact CB-CG2 4.13Å; Q429-T521 HydrophobicContact CG-CG2 4.26Å; Q429-T521 PolarHBondContact NE2-OG1 3.18Å
430	V	98.4	Very high	93.9	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	137.9	-174.3	64	0	0	0	0	112.3	L450 I455 K456 A457 E458 L481 A483 L497 I517	V430-L450 HydrophobicContact CG1-CD1 3.88Å; V430-I455 HydrophobicContact CG1-CG2 3.77Å; V430-K456 PolarHBondContact N-O 2.88Å; V430-A457 HydrophobicContact CG1-CB 3.71Å; V430-A457 CarbonylContact O-C 3.57Å; V430-A457 VanDerWaalsContact O-CA 3.25Å; V430-A457 WeakPolarHBondContact O-CA 3.47Å; V430-E458 PolarHBondContact O-N 2.9Å; V430-L481 VanDerWaalsContact CA-O 3.31Å; V430-L481 WeakPolarHBondContact CA-O 3.49Å; V430-L481 HydrophobicContact CB-CB 4.09Å; V430-L481 HydrophobicContact CG2-CB 3.97Å; V430-A483 HydrophobicContact CG2-CB 3.75Å; V430-L497 HydrophobicContact CG2-CD1 4.45Å; V430-I517 HydrophobicContact CB-CD1 4.44Å; V430-I517 HydrophobicContact CG1-CD1 4.07Å; V430-I517 HydrophobicContact CG2-CD1 4.41Å
431	L	98.6	Very high	94.6	Very high	0 Å²	0	59 Å²	59	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	127.8	166.6	-172.7	79	0	0	0	109.8	E458 Q470 L473 C474 I479 L481 V482 A483	L431-E458 CarbonylContact C-O 3.58Å; L431-E458 WeakPolarHBondContact CA-O 3.34Å; L431-E458 HydrophobicContact CD1-CB 3.87Å; L431-Q470 HydrophobicContact CD2-CB 3.82Å; L431-Q470 HydrophobicContact CD2-CG 4.39Å; L431-L473 HydrophobicContact CD1-CD2 4.35Å; L431-L473 HydrophobicContact CD2-CD2 4.5Å; L431-C474 WeakPolarHBondContact CB-SG 3.46Å; L431-C474 WeakPolarHBondContact CD2-SG 3.41Å; L431-I479 HydrophobicContact CB-CD1 4.25Å; L431-I479 HydrophobicContact CD1-CD1 4.46Å; L431-L481 PolarHBondContact N-O 3.45Å; L431-V482 CarbonylContact O-C 3.46Å; L431-V482 VanDerWaalsContact O-CA 3.3Å; L431-V482 WeakPolarHBondContact O-CA 3.48Å; L431-V482 WeakPolarHBondContact O-CG1 3.47Å; L431-A483 PolarHBondContact O-N 3.37Å
432	V	98.6	Very high	95.6	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	117.5	170.2	-179.8	0	0	0	0	109.2	R443 L446 V447 L450 E458 A483 L485	V432-R443 HydrophobicContact CG1-CB 3.81Å; V432-R443 HydrophobicContact CG1-CG 3.83Å; V432-L446 HydrophobicContact CG1-CB 4.26Å; V432-L446 HydrophobicContact CG1-CD2 4Å; V432-L446 HydrophobicContact CG1-CG 4.37Å; V432-L446 HydrophobicContact CG2-CD2 4.37Å; V432-L446 HydrophobicContact CG2-CG 4.3Å; V432-V447 HydrophobicContact CB-CB 4.43Å; V432-V447 HydrophobicContact CG2-CB 3.97Å; V432-V447 HydrophobicContact CG2-CG2 4.14Å; V432-L450 HydrophobicContact CG2-CD1 3.64Å; V432-E458 PolarHBondContact N-O 2.88Å; V432-A483 WeakPolarHBondContact CA-O 3.47Å; V432-L485 HydrophobicContact CG1-CD1 4.29Å
433	A	98.3	Very high	96.2	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	160.6	-172.6	0	0	0	0	0	112.5	L467 Q470 V482 A483 I484 L485	A433-L467 HydrophobicContact CB-CD1 4.28Å; A433-Q470 HydrophobicContact CB-CB 4.25Å; A433-V482 HydrophobicContact CB-CG1 3.47Å; A433-V482 VanDerWaalsContact CB-CG1 3.47Å; A433-A483 PolarHBondContact N-O 3.46Å; A433-I484 HydrophobicContact CB-CG1 4.46Å; A433-I484 CarbonylContact O-C 3.57Å; A433-I484 WeakPolarHBondContact O-CA 3.49Å; A433-L485 PolarHBondContact O-N 2.64Å
434	S	97.4	Very high	96.7	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	145.9	169	66.9	0	0	0	0	109.9	R443 Q470 L485	S434-R443 WeakPolarHBondContact OG-CD 3.32Å; S434-R443 PolarHBondContact OG-NE 2.84Å; S434-Q470 PolarHBondContact O-NE2 3.41Å; S434-L485 WeakPolarHBondContact CA-O 3.29Å; S434-L485 VanDerWaalsContact CB-O 3.32Å; S434-L485 WeakPolarHBondContact CB-O 3.49Å
435	A	94.7	Very high	97	Very high	60 Å²	60	54.7 Å²	54.7	50%	0.496	28%	0.275	S	S	.	.	S	Bend	trans	-91.4	-32.3	174.5	0	0	0	0	0	112.4	L467	A435-L467 HydrophobicContact CB-CB 3.96Å; A435-L467 HydrophobicContact CB-CD2 4.2Å
436	Q	95.1	Very high	97.2	Very high	79 Å²	79	51.3 Å²	51.3	37%	0.369	25%	0.254	S	S	.	.	S	Bend	trans	-81.7	162.1	-178.2	-65.3	168.5	-15	0	0	111.6	L439 E487	Q436-L439 HydrophobicContact CB-CD1 3.86Å; Q436-E487 VanDerWaalsContact OE1-CG 3.31Å
437	K	95.1	Very high	97.4	Very high	149 Å²	149	49.3 Å²	49.3	65%	0.648	24%	0.242	S	C	*	.	S	Bend	trans	-81.6	163.7	178.7	-62.4	-178.9	-177.9	175.1	0	110.8	L439 N464	K437-L439 PolarHBondContact O-N 3.37Å; K437-N464 WeakPolarHBondContact CA-OD1 3.31Å; K437-N464 WeakPolarHBondContact CB-OD1 3.32Å; K437-N464 HydrophobicContact CG-CB 4.24Å
438	N	95.7	Very high	97.6	Very high	141 Å²	141	46.2 Å²	46.2	75%	0.754	23%	0.232	S	C	*	.	S	Bend	trans	62.7	17.2	174.1	-54.7	-29.9	0	0	0	115.5	N464	N438-N464 PolarHBondContact N-OD1 2.93Å
439	L	97.4	Very high	97.6	Very high	12 Å²	12	49.4 Å²	49.4	6%	0.063	25%	0.246	C	C	.	.			trans	-99.1	16.9	177.3	-65.4	-178.8	0	0	0	113.7	Q436 K437 E441 E442 R443 L490	Q436-L439 HydrophobicContact CB-CD1 3.86Å; K437-L439 PolarHBondContact O-N 3.37Å; L439-E441 PolarHBondContact O-N 2.96Å; L439-E442 HydrophobicContact CD2-CG 4.28Å; L439-E442 PolarHBondContact O-N 3.25Å; L439-R443 WeakPolarHBondContact O-CG 3.33Å; L439-R443 PolarHBondContact O-N 3.26Å; L439-L490 HydrophobicContact CD2-CD1 3.74Å
440	L	97.8	Very high	97.6	Very high	48 Å²	48	47.7 Å²	47.7	25%	0.251	24%	0.238	S	C	.	.	H	α-helix	trans	-60.6	-46.1	178	175.2	62.6	0	0	0	111.5	E442 R443 L444 K463	L440-E442 VanDerWaalsContact C-N 3.31Å; L440-E442 PolarHBondContact O-N 3.46Å; L440-R443 PolarHBondContact O-N 2.83Å; L440-L444 HydrophobicContact CD1-CD1 4Å; L440-L444 HydrophobicContact CD1-CD2 4.38Å; L440-L444 HydrophobicContact CD1-CG 3.91Å; L440-L444 HydrophobicContact CD2-CD1 4.45Å; L440-L444 HydrophobicContact CG-CD1 3.89Å; L440-L444 HydrophobicContact CG-CG 4.23Å; L440-L444 WeakPolarHBondContact O-CB 3.43Å; L440-L444 VanDerWaalsContact O-CG 3.29Å; L440-L444 WeakPolarHBondContact O-CG 3.25Å; L440-L444 PolarHBondContact O-N 2.93Å; L440-K463 HydrophobicContact CD2-CG 3.99Å
441	E	98.1	Very high	97.6	Very high	133 Å²	133	53.7 Å²	53.7	62%	0.621	26%	0.261	S	S	*	.	H	α-helix	trans	-60.9	-41.3	-178.8	-66.7	-178.7	-158.9	0	0	111.8	L439 L444 R445	L439-E441 PolarHBondContact O-N 2.96Å; E441-L444 PolarHBondContact O-N 3.05Å; E441-R445 WeakPolarHBondContact O-CG 3.46Å; E441-R445 PolarHBondContact O-N 2.96Å
442	E	98.1	Very high	97.6	Very high	40 Å²	40	60.2 Å²	60.2	19%	0.187	30%	0.296	C	S	.	.	H	α-helix	trans	-67.9	-40.3	177.4	-59.1	-56.8	151.6	0	0	112.2	L439 L440 L444 R445 L446 L485 L490	L439-E442 HydrophobicContact CD2-CG 4.28Å; L439-E442 PolarHBondContact O-N 3.25Å; L440-E442 VanDerWaalsContact C-N 3.31Å; L440-E442 PolarHBondContact O-N 3.46Å; E442-L444 VanDerWaalsContact C-N 3.3Å; E442-L444 PolarHBondContact O-N 2.8Å; E442-R445 PolarHBondContact O-N 3.4Å; E442-R445 IonicContact OE1-CZ 2.96Å; E442-R445 IonicContact OE1-NH1 2.6Å; E442-R445 PolarHBondContact OE1-NH1 3.07Å; E442-R445 IonicContact OE1-NH2 2.65Å; E442-R445 IonicContact OE2-CZ 2.84Å; E442-R445 IonicContact OE2-NH1 2.74Å; E442-R445 PolarHBondContact OE2-NH1 2.91Å; E442-L446 WeakPolarHBondContact O-CB 3.49Å; E442-L446 PolarHBondContact O-N 3.2Å; E442-L485 HydrophobicContact CB-CD1 4.04Å; E442-L490 HydrophobicContact CB-CD1 4.19Å; E442-L490 HydrophobicContact CB-CD2 4.36Å; E442-L490 HydrophobicContact CG-CD1 3.77Å; E442-L490 HydrophobicContact CG-CD2 4.37Å
443	R	98.3	Very high	97.6	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-61.7	-40.1	172.3	-71.3	-171.7	-70.9	130	1	111.6	V432 S434 L439 L440 L446 V447 V459 M460 K462 K463 L485	V432-R443 HydrophobicContact CG1-CB 3.81Å; V432-R443 HydrophobicContact CG1-CG 3.83Å; S434-R443 WeakPolarHBondContact OG-CD 3.32Å; S434-R443 PolarHBondContact OG-NE 2.84Å; L439-R443 WeakPolarHBondContact O-CG 3.33Å; L439-R443 PolarHBondContact O-N 3.26Å; L440-R443 PolarHBondContact O-N 2.83Å; R443-L446 PolarHBondContact O-N 3.28Å; R443-V447 WeakPolarHBondContact O-CB 3.43Å; R443-V447 WeakPolarHBondContact O-CG1 2.98Å; R443-V447 PolarHBondContact O-N 2.98Å; R443-V459 HydrophobicContact CB-CG2 3.97Å; R443-M460 PolarHBondContact NH1-O 2.97Å; R443-M460 VanDerWaalsContact NH1-O 3.1Å; R443-K462 PolarHBondContact NH2-O 2.91Å; R443-K463 PolarHBondContact NH2-O 2.85Å; R443-L485 HydrophobicContact CB-CD1 4.47Å; R443-L485 HydrophobicContact CG-CD1 3.94Å
444	L	98.6	Very high	97.5	Very high	77 Å²	77	64.4 Å²	64.4	40%	0.403	34%	0.336	S	S	.	.	H	α-helix	trans	-67.9	-38.1	177.2	-70.1	176.4	0	0	0	112.2	L440 E441 E442 V447 T448 V459	L440-L444 HydrophobicContact CD1-CD1 4Å; L440-L444 HydrophobicContact CD1-CD2 4.38Å; L440-L444 HydrophobicContact CD1-CG 3.91Å; L440-L444 HydrophobicContact CD2-CD1 4.45Å; L440-L444 HydrophobicContact CG-CD1 3.89Å; L440-L444 HydrophobicContact CG-CG 4.23Å; L440-L444 WeakPolarHBondContact O-CB 3.43Å; L440-L444 VanDerWaalsContact O-CG 3.29Å; L440-L444 WeakPolarHBondContact O-CG 3.25Å; L440-L444 PolarHBondContact O-N 2.93Å; E441-L444 PolarHBondContact O-N 3.05Å; E442-L444 VanDerWaalsContact C-N 3.3Å; E442-L444 PolarHBondContact O-N 2.8Å; L444-V447 WeakPolarHBondContact O-CG1 3.45Å; L444-T448 WeakPolarHBondContact O-CB 3.36Å; L444-T448 PolarHBondContact O-N 3.19Å; L444-T448 VanDerWaalsContact O-N 3.15Å; L444-T448 PolarHBondContact O-OG1 3.32Å; L444-V459 HydrophobicContact CD2-CG1 4.23Å
445	R	98.3	Very high	97.5	Very high	122 Å²	122	64.6 Å²	64.6	46%	0.46	34%	0.337	S	S	.	.	H	α-helix	trans	-62.9	-49.7	172.3	-74.3	-174.2	-157.3	138.2	10.9	111.3	E441 E442 T448 E449	E441-R445 WeakPolarHBondContact O-CG 3.46Å; E441-R445 PolarHBondContact O-N 2.96Å; E442-R445 PolarHBondContact O-N 3.4Å; E442-R445 IonicContact OE1-CZ 2.96Å; E442-R445 IonicContact OE1-NH1 2.6Å; E442-R445 PolarHBondContact OE1-NH1 3.07Å; E442-R445 IonicContact OE1-NH2 2.65Å; E442-R445 IonicContact OE2-CZ 2.84Å; E442-R445 IonicContact OE2-NH1 2.74Å; E442-R445 PolarHBondContact OE2-NH1 2.91Å; R445-T448 WeakPolarHBondContact O-CB 3.25Å; R445-T448 PolarHBondContact O-N 3.01Å; R445-E449 PolarHBondContact O-N 2.94Å
446	L	98.3	Very high	97.7	Very high	2 Å²	2	66.2 Å²	66.2	1%	0.01	33%	0.333	C	S	.	.	H	α-helix	trans	-64.1	-45.2	-178	-177.2	59.7	0	0	0	112.2	V432 E442 R443 T448 E449 L450 A483 L485 V495 L513	V432-L446 HydrophobicContact CG1-CB 4.26Å; V432-L446 HydrophobicContact CG1-CD2 4Å; V432-L446 HydrophobicContact CG1-CG 4.37Å; V432-L446 HydrophobicContact CG2-CD2 4.37Å; V432-L446 HydrophobicContact CG2-CG 4.3Å; E442-L446 WeakPolarHBondContact O-CB 3.49Å; E442-L446 PolarHBondContact O-N 3.2Å; R443-L446 PolarHBondContact O-N 3.28Å; L446-T448 PolarHBondContact O-N 2.69Å; L446-E449 WeakPolarHBondContact O-CB 3.43Å; L446-E449 PolarHBondContact O-N 3.02Å; L446-L450 HydrophobicContact CD1-CG 4.48Å; L446-L450 HydrophobicContact CG-CD1 4.29Å; L446-L450 VanDerWaalsContact O-CG 3.31Å; L446-L450 WeakPolarHBondContact O-CG 3.49Å; L446-L450 PolarHBondContact O-N 2.77Å; L446-A483 HydrophobicContact CD2-CB 4.35Å; L446-L485 HydrophobicContact CB-CD1 4.23Å; L446-L485 HydrophobicContact CD2-CD1 4.01Å; L446-L485 HydrophobicContact CD2-CD2 3.67Å; L446-L485 HydrophobicContact CD2-CG 4Å; L446-V495 HydrophobicContact CD2-CG1 4.2Å; L446-V495 HydrophobicContact CD2-CG2 4.16Å; L446-L513 HydrophobicContact CD1-CD2 3.75Å; L446-L513 HydrophobicContact CD2-CD2 4.28Å; L446-L513 HydrophobicContact CG-CD2 4.49Å
447	V	98.6	Very high	97.8	Very high	0 Å²	0	62.8 Å²	62.8	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-63	-34.1	178.3	79.7	0	0	0	0	111.4	V432 R443 L444 L450 W451 A457 V459	V432-V447 HydrophobicContact CB-CB 4.43Å; V432-V447 HydrophobicContact CG2-CB 3.97Å; V432-V447 HydrophobicContact CG2-CG2 4.14Å; R443-V447 WeakPolarHBondContact O-CB 3.43Å; R443-V447 WeakPolarHBondContact O-CG1 2.98Å; R443-V447 PolarHBondContact O-N 2.98Å; L444-V447 WeakPolarHBondContact O-CG1 3.45Å; V447-L450 PolarHBondContact O-N 2.97Å; V447-W451 HydrophobicContact CG1-CE3 4.38Å; V447-W451 HydrophobicContact CG1-CH2 3.93Å; V447-W451 HydrophobicContact CG1-CZ2 4.21Å; V447-W451 HydrophobicContact CG1-CZ3 4.02Å; V447-W451 HydrophobicContact CG2-CD2 4.2Å; V447-W451 HydrophobicContact CG2-CH2 4.18Å; V447-W451 HydrophobicContact CG2-CZ2 3.59Å; V447-W451 VanDerWaalsContact O-CG 3.23Å; V447-W451 PolarHBondContact O-N 3.15Å; V447-A457 HydrophobicContact CG2-CB 3.79Å; V447-V459 HydrophobicContact CG1-CG1 4.22Å
448	T	98.6	Very high	98	Very high	61 Å²	61	58.6 Å²	58.6	37%	0.374	30%	0.301	S	S	.	.	H	α-helix	trans	-66.5	-43.4	174.5	-57.7	0	0	0	0	111.8	L444 R445 L446 L450 W451 N452	L444-T448 WeakPolarHBondContact O-CB 3.36Å; L444-T448 PolarHBondContact O-N 3.19Å; L444-T448 VanDerWaalsContact O-N 3.15Å; L444-T448 PolarHBondContact O-OG1 3.32Å; R445-T448 WeakPolarHBondContact O-CB 3.25Å; R445-T448 PolarHBondContact O-N 3.01Å; L446-T448 PolarHBondContact O-N 2.69Å; T448-L450 VanDerWaalsContact C-N 3.3Å; T448-L450 PolarHBondContact O-N 3.23Å; T448-W451 PolarHBondContact O-N 2.95Å; T448-N452 WeakPolarHBondContact O-CB 3.48Å; T448-N452 PolarHBondContact O-N 3.33Å; T448-N452 PolarHBondContact O-ND2 3.49Å
449	E	98.1	Very high	98.1	Very high	77 Å²	77	52.3 Å²	52.3	36%	0.36	27%	0.267	S	S	.	.	H	α-helix	trans	-58.4	-43.7	173.9	-74.5	164	-155.5	0	0	111.5	R445 L446 N452 A453 R510	R445-E449 PolarHBondContact O-N 2.94Å; L446-E449 WeakPolarHBondContact O-CB 3.43Å; L446-E449 PolarHBondContact O-N 3.02Å; E449-N452 PolarHBondContact O-N 3.48Å; E449-A453 WeakPolarHBondContact O-CB 3.28Å; E449-A453 PolarHBondContact O-N 2.91Å; E449-A453 VanDerWaalsContact O-N 3.12Å; E449-R510 IonicContact OE1-CZ 3.22Å; E449-R510 IonicContact OE1-NE 3.5Å; E449-R510 IonicContact OE1-NH2 4Å; E449-R510 PolarHBondContact OE1-NH2 3.04Å; E449-R510 IonicContact OE2-CZ 2.71Å; E449-R510 IonicContact OE2-NE 3.63Å; E449-R510 PolarHBondContact OE2-NE 3.5Å; E449-R510 IonicContact OE2-NH2 2.83Å; E449-R510 PolarHBondContact OE2-NH2 2.74Å
450	L	98.3	Very high	98.1	Very high	1 Å²	1	53 Å²	53	1%	0.005	27%	0.271	C	S	.	.	H	α-helix	trans	-64.1	-45.9	177.2	-67.5	174.8	0	0	0	111.7	V430 V432 L446 V447 T448 A453 G454 I455 A457 L513 I514 I517	V430-L450 HydrophobicContact CG1-CD1 3.88Å; V432-L450 HydrophobicContact CG2-CD1 3.64Å; L446-L450 HydrophobicContact CD1-CG 4.48Å; L446-L450 HydrophobicContact CG-CD1 4.29Å; L446-L450 VanDerWaalsContact O-CG 3.31Å; L446-L450 WeakPolarHBondContact O-CG 3.49Å; L446-L450 PolarHBondContact O-N 2.77Å; V447-L450 PolarHBondContact O-N 2.97Å; T448-L450 VanDerWaalsContact C-N 3.3Å; T448-L450 PolarHBondContact O-N 3.23Å; L450-A453 CarbonylContact O-C 3.59Å; L450-A453 PolarHBondContact O-N 2.7Å; L450-A453 VanDerWaalsContact O-N 3.13Å; L450-G454 PolarHBondContact O-N 3.02Å; L450-I455 HydrophobicContact CB-CB 4.08Å; L450-I455 HydrophobicContact CB-CG2 4.36Å; L450-I455 HydrophobicContact CD2-CB 4.43Å; L450-I455 HydrophobicContact CD2-CG1 4.33Å; L450-I455 HydrophobicContact CD2-CG2 4.45Å; L450-I455 WeakPolarHBondContact O-CB 3.31Å; L450-I455 PolarHBondContact O-N 3.48Å; L450-A457 HydrophobicContact CB-CB 3.82Å; L450-A457 HydrophobicContact CD1-CB 3.85Å; L450-L513 HydrophobicContact CD2-CD2 4.28Å; L450-I514 HydrophobicContact CD2-CG1 4.21Å; L450-I517 HydrophobicContact CD1-CD1 4.48Å; L450-I517 HydrophobicContact CD2-CD1 3.6Å
451	W	98.4	Very high	98	Very high	125 Å²	125	60.6 Å²	60.6	47%	0.473	30%	0.297	S	S	.	.	H	α-helix	trans	-60.9	-44.4	175.4	-67.7	-25.7	0	0	0	112.3	V447 T448 A453 G454 A457	V447-W451 HydrophobicContact CG1-CE3 4.38Å; V447-W451 HydrophobicContact CG1-CH2 3.93Å; V447-W451 HydrophobicContact CG1-CZ2 4.21Å; V447-W451 HydrophobicContact CG1-CZ3 4.02Å; V447-W451 HydrophobicContact CG2-CD2 4.2Å; V447-W451 HydrophobicContact CG2-CH2 4.18Å; V447-W451 HydrophobicContact CG2-CZ2 3.59Å; V447-W451 VanDerWaalsContact O-CG 3.23Å; V447-W451 PolarHBondContact O-N 3.15Å; T448-W451 PolarHBondContact O-N 2.95Å; W451-A453 PolarHBondContact O-N 3.44Å; W451-G454 PolarHBondContact O-N 2.87Å; W451-A457 PolarHBondContact NE1-O 2.89Å
452	N	98.2	Very high	97.9	Very high	137 Å²	137	60.1 Å²	60.1	73%	0.733	29%	0.293	S	S	*	.	H	α-helix	trans	-61.5	-24.4	176.5	-71.8	-18.7	0	0	0	112.6	T448 E449	T448-N452 WeakPolarHBondContact O-CB 3.48Å; T448-N452 PolarHBondContact O-N 3.33Å; T448-N452 PolarHBondContact O-ND2 3.49Å; E449-N452 PolarHBondContact O-N 3.48Å
453	A	97.4	Very high	97.9	Very high	29 Å²	29	65.6 Å²	65.6	24%	0.24	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.3	3.1	175.6	0	0	0	0	0	114.4	E449 L450 W451 I455 I514 K518	E449-A453 WeakPolarHBondContact O-CB 3.28Å; E449-A453 PolarHBondContact O-N 2.91Å; E449-A453 VanDerWaalsContact O-N 3.12Å; L450-A453 CarbonylContact O-C 3.59Å; L450-A453 PolarHBondContact O-N 2.7Å; L450-A453 VanDerWaalsContact O-N 3.13Å; W451-A453 PolarHBondContact O-N 3.44Å; A453-I455 HydrophobicContact CB-CG1 4.46Å; A453-I514 HydrophobicContact CB-CD1 3.54Å; A453-I514 HydrophobicContact CB-CG1 3.88Å; A453-I514 HydrophobicContact CB-CG2 3.82Å; A453-K518 PolarHBondContact O-NZ 3.23Å
454	G	97.1	Very high	97.8	Very high	59 Å²	59	69.1 Å²	69.1	61%	0.608	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.3	15.8	-178.2	0	0	0	0	0	114.5	L450 W451	L450-G454 PolarHBondContact O-N 3.02Å; W451-G454 PolarHBondContact O-N 2.87Å
455	I	97.8	Very high	97.7	Very high	4 Å²	4	65.7 Å²	65.7	2%	0.021	32%	0.318	C	S	.	.			trans	-82.6	132.1	175	-58.2	-58.3	0	0	0	109.7	Q429 V430 L450 A453 A457 I514 I517 K518	Q429-I455 HydrophobicContact CB-CG2 4.38Å; V430-I455 HydrophobicContact CG1-CG2 3.77Å; L450-I455 HydrophobicContact CB-CB 4.08Å; L450-I455 HydrophobicContact CB-CG2 4.36Å; L450-I455 HydrophobicContact CD2-CB 4.43Å; L450-I455 HydrophobicContact CD2-CG1 4.33Å; L450-I455 HydrophobicContact CD2-CG2 4.45Å; L450-I455 WeakPolarHBondContact O-CB 3.31Å; L450-I455 PolarHBondContact O-N 3.48Å; A453-I455 HydrophobicContact CB-CG1 4.46Å; I455-A457 VanDerWaalsContact C-N 3.34Å; I455-A457 HydrophobicContact CG2-CB 4.39Å; I455-A457 PolarHBondContact O-N 3.29Å; I455-I514 HydrophobicContact CG1-CG2 4.42Å; I455-I517 HydrophobicContact CD1-CG2 4.07Å; I455-I517 HydrophobicContact CG2-CG2 3.85Å; I455-K518 HydrophobicContact CD1-CD 4.33Å; I455-K518 HydrophobicContact CD1-CG 3.65Å
456	K	98.1	Very high	97.7	Very high	95 Å²	95	67.9 Å²	67.9	41%	0.413	33%	0.33	S	S	.	.			trans	-76.9	85.4	175.7	-56.4	171.8	-170.6	173.1	0	108.7	E427 V428 Q429 V430	E427-K456 HydrophobicContact CB-CD 3.62Å; E427-K456 WeakPolarHBondContact O-CB 3.34Å; E427-K456 WeakPolarHBondContact O-CD 3.5Å; E427-K456 WeakPolarHBondContact OE2-CE 3.13Å; E427-K456 IonicContact OE2-NZ 3.78Å; E427-K456 PolarHBondContact OE2-NZ 3.21Å; V428-K456 CarbonylContact C-O 3.59Å; V428-K456 WeakPolarHBondContact CA-O 3.41Å; Q429-K456 HydrophobicContact CG-CB 4.2Å; Q429-K456 PolarHBondContact N-O 3.49Å; V430-K456 PolarHBondContact N-O 2.88Å
457	A	98.3	Very high	97.6	Very high	6 Å²	6	70 Å²	70	5%	0.05	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	154.5	-176.8	0	0	0	0	0	112.4	V430 V447 L450 W451 I455	V430-A457 HydrophobicContact CG1-CB 3.71Å; V430-A457 CarbonylContact O-C 3.57Å; V430-A457 VanDerWaalsContact O-CA 3.25Å; V430-A457 WeakPolarHBondContact O-CA 3.47Å; V447-A457 HydrophobicContact CG2-CB 3.79Å; L450-A457 HydrophobicContact CB-CB 3.82Å; L450-A457 HydrophobicContact CD1-CB 3.85Å; W451-A457 PolarHBondContact NE1-O 2.89Å; I455-A457 VanDerWaalsContact C-N 3.34Å; I455-A457 HydrophobicContact CG2-CB 4.39Å; I455-A457 PolarHBondContact O-N 3.29Å
458	E	98.1	Very high	97.5	Very high	62 Å²	62	75.5 Å²	75.5	29%	0.29	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	164.3	171.1	-81.9	-165.4	-161.1	0	0	112.3	V428 V430 L431 V432	V428-E458 HydrophobicContact CG1-CB 4.07Å; V428-E458 HydrophobicContact CG1-CG 4.09Å; V428-E458 HydrophobicContact CG2-CG 3.74Å; V428-E458 VanDerWaalsContact CG2-OE1 3.25Å; V428-E458 WeakPolarHBondContact CG2-OE1 3.32Å; V430-E458 PolarHBondContact O-N 2.9Å; L431-E458 CarbonylContact C-O 3.58Å; L431-E458 WeakPolarHBondContact CA-O 3.34Å; L431-E458 HydrophobicContact CD1-CB 3.87Å; V432-E458 PolarHBondContact N-O 2.88Å
459	V	97.6	Very high	97.4	Very high	8 Å²	8	74.2 Å²	74.2	5%	0.048	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	139.4	172.3	63.6	0	0	0	0	109.5	R443 L444 V447 Y461	R443-V459 HydrophobicContact CB-CG2 3.97Å; L444-V459 HydrophobicContact CD2-CG1 4.23Å; V447-V459 HydrophobicContact CG1-CG1 4.22Å; V459-Y461 HydrophobicContact CG1-CD1 4.46Å; V459-Y461 HydrophobicContact CG1-CE1 4.29Å; V459-Y461 WeakPolarHBondContact O-CD1 3.18Å; V459-Y461 WeakPolarHBondContact O-CE1 3.49Å; V459-Y461 PolarHBondContact O-N 2.79Å
460	M	97.3	Very high	97.4	Very high	28 Å²	28	70.6 Å²	70.6	14%	0.138	35%	0.347	C	S	.	.			trans	-69	127.5	174.6	-174.9	175.3	-75.1	0	0	110.7	R443 K462 P465 Q470 L473	R443-M460 PolarHBondContact NH1-O 2.97Å; R443-M460 VanDerWaalsContact NH1-O 3.1Å; M460-K462 HydrophobicContact CG-CB 4.44Å; M460-K462 HydrophobicContact CG-CD 4.41Å; M460-K462 HydrophobicContact CG-CG 4.2Å; M460-K462 PolarHBondContact O-N 2.58Å; M460-K462 HydrophobicContact SD-CD 3.99Å; M460-K462 HydrophobicContact SD-CG 4.42Å; M460-P465 HydrophobicContact CG-CB 4.37Å; M460-P465 HydrophobicContact SD-CB 3.68Å; M460-Q470 HydrophobicContact CB-CG 4.31Å; M460-Q470 HydrophobicContact CE-CG 4.05Å; M460-Q470 HydrophobicContact SD-CG 4.1Å; M460-L473 HydrophobicContact CE-CB 4.22Å; M460-L473 HydrophobicContact CE-CD2 3.85Å
461	Y	97	Very high	97.4	Very high	207 Å²	207	71.4 Å²	71.4	81%	0.812	35%	0.351	S	S	*	.	S	Bend	trans	-73.7	56.5	-179.5	-52.9	-34.8	0	0	0	113.5	V459	V459-Y461 HydrophobicContact CG1-CD1 4.46Å; V459-Y461 HydrophobicContact CG1-CE1 4.29Å; V459-Y461 WeakPolarHBondContact O-CD1 3.18Å; V459-Y461 WeakPolarHBondContact O-CE1 3.49Å; V459-Y461 PolarHBondContact O-N 2.79Å
462	K	96.5	Very high	97.3	Very high	122 Å²	122	69.7 Å²	69.7	53%	0.53	35%	0.348	S	S	.	.			trans	-134.5	143.6	173.7	-67.6	-173.5	179.4	176.5	0	108.3	R443 M460 P465	R443-K462 PolarHBondContact NH2-O 2.91Å; M460-K462 HydrophobicContact CG-CB 4.44Å; M460-K462 HydrophobicContact CG-CD 4.41Å; M460-K462 HydrophobicContact CG-CG 4.2Å; M460-K462 PolarHBondContact O-N 2.58Å; M460-K462 HydrophobicContact SD-CD 3.99Å; M460-K462 HydrophobicContact SD-CG 4.42Å; K462-P465 HydrophobicContact CB-CB 4.16Å
463	K	96.4	Very high	97.1	Very high	156 Å²	156	65 Å²	65	68%	0.678	32%	0.324	S	S	*	.	S	Bend	trans	-61.6	-46.7	175	-68	-173.3	176.7	-174.6	0	111.5	L440 R443	L440-K463 HydrophobicContact CD2-CG 3.99Å; R443-K463 PolarHBondContact NH2-O 2.85Å
464	N	96.9	Very high	97.1	Very high	74 Å²	74	63.7 Å²	63.7	40%	0.396	31%	0.312	S	S	.	.	S	Bend	trans	-132.3	70.6	-174.7	-58	-51.1	0	0	0	111	K437 N438	K437-N464 WeakPolarHBondContact CA-OD1 3.31Å; K437-N464 WeakPolarHBondContact CB-OD1 3.32Å; K437-N464 HydrophobicContact CG-CB 4.24Å; N438-N464 PolarHBondContact N-OD1 2.93Å
465	P	96.6	Very high	97	Very high	5 Å²	5	65.2 Å²	65.2	3%	0.032	30%	0.304	C	S	.	.			trans	-68.5	149.3	177.5	30	-34	0	0	0	111.2	M460 K462 Q470	M460-P465 HydrophobicContact CG-CB 4.37Å; M460-P465 HydrophobicContact SD-CB 3.68Å; K462-P465 HydrophobicContact CB-CB 4.16Å; P465-Q470 HydrophobicContact CB-CG 3.93Å; P465-Q470 VanDerWaalsContact CG-CD 3.46Å; P465-Q470 HydrophobicContact CG-CG 4.24Å
466	K	97.3	Very high	96.7	Very high	167 Å²	167	71.4 Å²	71.4	73%	0.726	33%	0.333	S	S	*	.			trans	-74.1	141.1	168.7	-66.5	-174.7	179.2	-178.7	0	108.6	L468 S469 Q470	K466-L468 VanDerWaalsContact C-N 3.29Å; K466-L468 PolarHBondContact O-N 2.79Å; K466-S469 PolarHBondContact N-OG 2.81Å; K466-S469 PolarHBondContact O-N 2.98Å; K466-S469 PolarHBondContact O-OG 3.17Å; K466-Q470 PolarHBondContact O-N 3.36Å; K466-Q470 PolarHBondContact O-NE2 3.11Å; K466-Q470 VanDerWaalsContact O-NE2 3.15Å
467	L	96.4	Very high	96.5	Very high	46 Å²	46	69.2 Å²	69.2	24%	0.241	32%	0.324	C	S	.	.	H	α-helix	trans	-57.7	-43.7	177.1	-175.8	62.1	0	0	0	111.6	A433 A435 S469 Q470 L471 I484	A433-L467 HydrophobicContact CB-CD1 4.28Å; A435-L467 HydrophobicContact CB-CB 3.96Å; A435-L467 HydrophobicContact CB-CD2 4.2Å; L467-S469 VanDerWaalsContact C-N 3.32Å; L467-S469 PolarHBondContact O-N 3.42Å; L467-Q470 WeakPolarHBondContact O-CB 3.27Å; L467-Q470 PolarHBondContact O-N 2.91Å; L467-L471 HydrophobicContact CD1-CG 4.42Å; L467-L471 HydrophobicContact CG-CD1 4.15Å; L467-L471 HydrophobicContact CG-CG 4.34Å; L467-L471 PolarHBondContact O-N 2.9Å; L467-I484 HydrophobicContact CD1-CD1 4.24Å; L467-I484 HydrophobicContact CD1-CG1 4.41Å
468	L	96.9	Very high	96.2	Very high	116 Å²	116	70.1 Å²	70.1	61%	0.607	33%	0.334	S	S	*	.	H	α-helix	trans	-54.6	-45.6	177.7	-177.6	62.7	0	0	0	112.7	K466 Q470 L471 Q472	K466-L468 VanDerWaalsContact C-N 3.29Å; K466-L468 PolarHBondContact O-N 2.79Å; L468-Q470 VanDerWaalsContact C-N 3.25Å; L468-Q470 PolarHBondContact O-N 3.25Å; L468-L471 PolarHBondContact O-N 3.41Å; L468-Q472 HydrophobicContact CD1-CG 4.44Å; L468-Q472 WeakPolarHBondContact O-CB 3.47Å; L468-Q472 WeakPolarHBondContact O-CG 3.5Å; L468-Q472 PolarHBondContact O-N 2.86Å
469	S	97.2	Very high	96.2	Very high	35 Å²	35	67.2 Å²	67.2	25%	0.245	32%	0.321	C	S	.	.	H	α-helix	trans	-66.2	-27.2	178.6	52.8	0	0	0	0	113.6	K466 L467 L473	K466-S469 PolarHBondContact N-OG 2.81Å; K466-S469 PolarHBondContact O-N 2.98Å; K466-S469 PolarHBondContact O-OG 3.17Å; L467-S469 VanDerWaalsContact C-N 3.32Å; L467-S469 PolarHBondContact O-N 3.42Å; S469-L473 PolarHBondContact O-N 2.84Å
470	Q	97.8	Very high	96.1	Very high	0 Å²	0	68.5 Å²	68.5	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-75.7	-41.9	176.1	-69.3	167.4	105.8	0	0	110.7	L431 A433 S434 M460 P465 K466 L467 L468 L473 C474	L431-Q470 HydrophobicContact CD2-CB 3.82Å; L431-Q470 HydrophobicContact CD2-CG 4.39Å; A433-Q470 HydrophobicContact CB-CB 4.25Å; S434-Q470 PolarHBondContact O-NE2 3.41Å; M460-Q470 HydrophobicContact CB-CG 4.31Å; M460-Q470 HydrophobicContact CE-CG 4.05Å; M460-Q470 HydrophobicContact SD-CG 4.1Å; P465-Q470 HydrophobicContact CB-CG 3.93Å; P465-Q470 VanDerWaalsContact CG-CD 3.46Å; P465-Q470 HydrophobicContact CG-CG 4.24Å; K466-Q470 PolarHBondContact O-N 3.36Å; K466-Q470 PolarHBondContact O-NE2 3.11Å; K466-Q470 VanDerWaalsContact O-NE2 3.15Å; L467-Q470 WeakPolarHBondContact O-CB 3.27Å; L467-Q470 PolarHBondContact O-N 2.91Å; L468-Q470 VanDerWaalsContact C-N 3.25Å; L468-Q470 PolarHBondContact O-N 3.25Å; Q470-L473 WeakPolarHBondContact O-CB 3.37Å; Q470-L473 PolarHBondContact O-N 3.13Å; Q470-C474 PolarHBondContact O-N 3Å; Q470-C474 VanDerWaalsContact O-N 3.11Å; Q470-C474 PolarHBondContact O-SG 2.94Å; Q470-C474 VanDerWaalsContact O-SG 3.36Å
471	L	97.3	Very high	96.2	Very high	19 Å²	19	67.3 Å²	67.3	10%	0.099	32%	0.323	C	S	.	.	H	α-helix	trans	-64.5	-41.9	175.2	-63.8	175.5	0	0	0	111.8	L467 L468 L473 C474 E475 V482	L467-L471 HydrophobicContact CD1-CG 4.42Å; L467-L471 HydrophobicContact CG-CD1 4.15Å; L467-L471 HydrophobicContact CG-CG 4.34Å; L467-L471 PolarHBondContact O-N 2.9Å; L468-L471 PolarHBondContact O-N 3.41Å; L471-L473 VanDerWaalsContact C-N 3.33Å; L471-L473 PolarHBondContact O-N 3.45Å; L471-C474 WeakPolarHBondContact O-CB 3.45Å; L471-C474 PolarHBondContact O-N 3.35Å; L471-C474 VanDerWaalsContact O-N 3.13Å; L471-E475 PolarHBondContact O-N 2.82Å; L471-V482 HydrophobicContact CD2-CB 4.48Å; L471-V482 HydrophobicContact CD2-CG1 4.47Å; L471-V482 HydrophobicContact CD2-CG2 4.01Å
472	Q	96.5	Very high	96.3	Very high	88 Å²	88	57.5 Å²	57.5	41%	0.411	29%	0.285	S	S	.	.	H	α-helix	trans	-59.5	-42.9	174.6	-75.6	173.1	-31.1	0	0	111.8	L468 C474 E475 E476	L468-Q472 HydrophobicContact CD1-CG 4.44Å; L468-Q472 WeakPolarHBondContact O-CB 3.47Å; L468-Q472 WeakPolarHBondContact O-CG 3.5Å; L468-Q472 PolarHBondContact O-N 2.86Å; Q472-C474 VanDerWaalsContact C-N 3.31Å; Q472-C474 PolarHBondContact O-N 3.27Å; Q472-E475 PolarHBondContact O-N 2.83Å; Q472-E476 WeakPolarHBondContact O-CB 3.37Å; Q472-E476 WeakPolarHBondContact O-CG 3.41Å; Q472-E476 PolarHBondContact O-N 3.02Å
473	L	95.4	Very high	96.3	Very high	40 Å²	40	51.7 Å²	51.7	21%	0.209	26%	0.259	C	S	.	.	H	α-helix	trans	-58.7	-43.3	174.1	178.9	68.5	0	0	0	111.5	L431 M460 S469 Q470 L471 E476 M477	L431-L473 HydrophobicContact CD1-CD2 4.35Å; L431-L473 HydrophobicContact CD2-CD2 4.5Å; M460-L473 HydrophobicContact CE-CB 4.22Å; M460-L473 HydrophobicContact CE-CD2 3.85Å; S469-L473 PolarHBondContact O-N 2.84Å; Q470-L473 WeakPolarHBondContact O-CB 3.37Å; Q470-L473 PolarHBondContact O-N 3.13Å; L471-L473 VanDerWaalsContact C-N 3.33Å; L471-L473 PolarHBondContact O-N 3.45Å; L473-E476 PolarHBondContact O-N 3.46Å; L473-M477 HydrophobicContact CD1-CE 4.19Å; L473-M477 HydrophobicContact CD1-CG 3.92Å; L473-M477 HydrophobicContact CD1-SD 3.76Å; L473-M477 HydrophobicContact CD2-CE 4.45Å; L473-M477 HydrophobicContact CG-CE 4.11Å; L473-M477 HydrophobicContact CG-CG 4.45Å; L473-M477 HydrophobicContact CG-SD 4.33Å; L473-M477 WeakPolarHBondContact O-CB 3.3Å; L473-M477 WeakPolarHBondContact O-CG 3.48Å; L473-M477 PolarHBondContact O-N 3.49Å
474	C	96.3	Very high	96.4	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-63.5	-44.1	176.6	-65.8	0	0	0	0	112.3	L431 Q470 L471 Q472 G478 I479 V482 V500	L431-C474 WeakPolarHBondContact CB-SG 3.46Å; L431-C474 WeakPolarHBondContact CD2-SG 3.41Å; Q470-C474 PolarHBondContact O-N 3Å; Q470-C474 VanDerWaalsContact O-N 3.11Å; Q470-C474 PolarHBondContact O-SG 2.94Å; Q470-C474 VanDerWaalsContact O-SG 3.36Å; L471-C474 WeakPolarHBondContact O-CB 3.45Å; L471-C474 PolarHBondContact O-N 3.35Å; L471-C474 VanDerWaalsContact O-N 3.13Å; Q472-C474 VanDerWaalsContact C-N 3.31Å; Q472-C474 PolarHBondContact O-N 3.27Å; C474-G478 CarbonylContact O-C 3.52Å; C474-G478 WeakPolarHBondContact O-CA 3.44Å; C474-G478 PolarHBondContact O-N 3.25Å; C474-I479 HydrophobicContact CB-CB 3.98Å; C474-I479 PolarHBondContact O-N 3.32Å; C474-V482 HydrophobicContact CB-CG2 4.24Å; C474-V482 WeakPolarHBondContact SG-CG2 3.44Å; C474-V500 HydrophobicContact CB-CG1 4.16Å; C474-V500 HydrophobicContact CB-CG2 3.77Å
475	E	94.6	Very high	96.5	Very high	92 Å²	92	41.4 Å²	41.4	43%	0.43	21%	0.212	S	C	.	.	H	α-helix	trans	-60.2	-47.5	175.6	-72.5	176.8	174.2	0	0	110.4	K422 L471 Q472 G478 V500	K422-E475 PolarHBondContact NZ-O 2.78Å; L471-E475 PolarHBondContact O-N 2.82Å; Q472-E475 PolarHBondContact O-N 2.83Å; E475-G478 PolarHBondContact O-N 3.03Å; E475-V500 HydrophobicContact CG-CG1 3.77Å
476	E	92.6	Very high	96.5	Very high	134 Å²	134	41.4 Å²	41.4	63%	0.626	21%	0.213	S	C	*	.	H	α-helix	trans	-61.6	-46.3	179	-76.4	174.2	-168.1	0	0	112.8	K422 Q472 L473	K422-E476 WeakPolarHBondContact CE-O 3.44Å; K422-E476 PolarHBondContact NZ-O 3.07Å; Q472-E476 WeakPolarHBondContact O-CB 3.37Å; Q472-E476 WeakPolarHBondContact O-CG 3.41Å; Q472-E476 PolarHBondContact O-N 3.02Å; L473-E476 PolarHBondContact O-N 3.46Å
477	M	92.6	Very high	96.4	Very high	49 Å²	49	38.6 Å²	38.6	24%	0.241	20%	0.202	C	C	.	.	H	α-helix	trans	-86.3	-6.8	-179.2	-58.2	-159.6	-41.7	0	0	114.1	L473 I479	L473-M477 HydrophobicContact CD1-CE 4.19Å; L473-M477 HydrophobicContact CD1-CG 3.92Å; L473-M477 HydrophobicContact CD1-SD 3.76Å; L473-M477 HydrophobicContact CD2-CE 4.45Å; L473-M477 HydrophobicContact CG-CE 4.11Å; L473-M477 HydrophobicContact CG-CG 4.45Å; L473-M477 HydrophobicContact CG-SD 4.33Å; L473-M477 WeakPolarHBondContact O-CB 3.3Å; L473-M477 WeakPolarHBondContact O-CG 3.48Å; L473-M477 PolarHBondContact O-N 3.49Å; M477-I479 HydrophobicContact CB-CG1 4.19Å; M477-I479 HydrophobicContact CE-CD1 3.34Å; M477-I479 HydrophobicContact CE-CG1 4.03Å
478	G	93.8	Very high	96.4	Very high	25 Å²	25	41.1 Å²	41.1	26%	0.258	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.4	29.6	-176.2	0	0	0	0	0	113.9	R424 C474 E475	R424-G478 PolarHBondContact NE-O 3.38Å; R424-G478 PolarHBondContact NH2-O 2.83Å; C474-G478 CarbonylContact O-C 3.52Å; C474-G478 WeakPolarHBondContact O-CA 3.44Å; C474-G478 PolarHBondContact O-N 3.25Å; E475-G478 PolarHBondContact O-N 3.03Å
479	I	96.6	Very high	96.3	Very high	1 Å²	1	37 Å²	37	1%	0.005	19%	0.19	C	C	.	.			trans	-69	127.7	174.1	-60.9	175.9	0	0	0	108.3	V428 L431 C474 M477 L481 V500	V428-I479 HydrophobicContact CB-CD1 4.08Å; V428-I479 HydrophobicContact CB-CG1 3.97Å; V428-I479 HydrophobicContact CG1-CD1 3.62Å; V428-I479 HydrophobicContact CG1-CG1 3.89Å; V428-I479 HydrophobicContact CG1-CG2 4.09Å; L431-I479 HydrophobicContact CB-CD1 4.25Å; L431-I479 HydrophobicContact CD1-CD1 4.46Å; C474-I479 HydrophobicContact CB-CB 3.98Å; C474-I479 PolarHBondContact O-N 3.32Å; M477-I479 HydrophobicContact CB-CG1 4.19Å; M477-I479 HydrophobicContact CE-CD1 3.34Å; M477-I479 HydrophobicContact CE-CG1 4.03Å; I479-L481 WeakPolarHBondContact CG2-O 3.49Å; I479-V500 WeakPolarHBondContact O-CB 3.45Å; I479-V500 VanDerWaalsContact O-CG2 3.27Å; I479-V500 WeakPolarHBondContact O-CG2 3.33Å
480	P	96.6	Very high	96.1	Very high	34 Å²	34	37.7 Å²	37.7	22%	0.221	19%	0.191	C	C	.	.			trans	-78.1	-30.2	-173.1	27.8	-32	0	0	0	113.7	V428 Q429 V500 T521	V428-P480 WeakPolarHBondContact O-CD 3.26Å; Q429-P480 WeakPolarHBondContact O-CD 3.37Å; Q429-P480 WeakPolarHBondContact O-CG 3.38Å; P480-V500 PolarHBondContact O-N 3.29Å; P480-T521 HydrophobicContact CG-CG2 4.2Å
481	L	98.3	Very high	96.1	Very high	4 Å²	4	45.1 Å²	45.1	2%	0.021	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	152.5	-172.6	-57	173.8	0	0	0	113.4	Q429 V430 L431 I479 L497 R498 V499 I517 R520 T521	Q429-L481 WeakPolarHBondContact O-CB 3.49Å; Q429-L481 PolarHBondContact O-N 2.99Å; V430-L481 VanDerWaalsContact CA-O 3.31Å; V430-L481 WeakPolarHBondContact CA-O 3.49Å; V430-L481 HydrophobicContact CB-CB 4.09Å; V430-L481 HydrophobicContact CG2-CB 3.97Å; L431-L481 PolarHBondContact N-O 3.45Å; I479-L481 WeakPolarHBondContact CG2-O 3.49Å; L481-L497 HydrophobicContact CB-CD1 4.16Å; L481-L497 HydrophobicContact CD1-CD1 4.48Å; L481-R498 CarbonylContact C-O 3.44Å; L481-R498 WeakPolarHBondContact CA-O 3.14Å; L481-V499 HydrophobicContact CD2-CG2 3.99Å; L481-I517 HydrophobicContact CD1-CB 4.44Å; L481-I517 HydrophobicContact CD1-CG1 4.26Å; L481-I517 HydrophobicContact CD1-CG2 4.16Å; L481-R520 HydrophobicContact CD1-CB 4.05Å; L481-R520 HydrophobicContact CD2-CB 4.39Å; L481-T521 HydrophobicContact CD1-CG2 3.72Å; L481-T521 HydrophobicContact CG-CG2 4.38Å
482	V	98.6	Very high	96	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	123.4	170	-172.3	0	0	0	0	109.8	L431 A433 L471 C474 I484 R498 V500	L431-V482 CarbonylContact O-C 3.46Å; L431-V482 VanDerWaalsContact O-CA 3.3Å; L431-V482 WeakPolarHBondContact O-CA 3.48Å; L431-V482 WeakPolarHBondContact O-CG1 3.47Å; A433-V482 HydrophobicContact CB-CG1 3.47Å; A433-V482 VanDerWaalsContact CB-CG1 3.47Å; L471-V482 HydrophobicContact CD2-CB 4.48Å; L471-V482 HydrophobicContact CD2-CG1 4.47Å; L471-V482 HydrophobicContact CD2-CG2 4.01Å; C474-V482 HydrophobicContact CB-CG2 4.24Å; C474-V482 WeakPolarHBondContact SG-CG2 3.44Å; V482-I484 HydrophobicContact CB-CG1 4.41Å; V482-I484 HydrophobicContact CG1-CD1 4.44Å; V482-I484 HydrophobicContact CG1-CG1 3.74Å; V482-R498 HydrophobicContact CB-CB 4.34Å; V482-R498 PolarHBondContact N-O 3.29Å; V482-R498 PolarHBondContact O-N 3.42Å; V482-V500 HydrophobicContact CG2-CG2 3.58Å
483	A	98.4	Very high	96	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	103.2	173.9	0	0	0	0	0	108.9	V430 L431 V432 A433 L446 V495 L497	V430-A483 HydrophobicContact CG2-CB 3.75Å; L431-A483 PolarHBondContact O-N 3.37Å; V432-A483 WeakPolarHBondContact CA-O 3.47Å; A433-A483 PolarHBondContact N-O 3.46Å; L446-A483 HydrophobicContact CD2-CB 4.35Å; A483-V495 HydrophobicContact CB-CG1 3.83Å; A483-L497 HydrophobicContact CB-CD1 4.48Å
484	I	98.3	Very high	96.1	Very high	13 Å²	13	46.1 Å²	46.1	7%	0.067	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	124.7	-173	-54.5	171.6	0	0	0	109.9	A433 L467 V482 K496 R498	A433-I484 HydrophobicContact CB-CG1 4.46Å; A433-I484 CarbonylContact O-C 3.57Å; A433-I484 WeakPolarHBondContact O-CA 3.49Å; L467-I484 HydrophobicContact CD1-CD1 4.24Å; L467-I484 HydrophobicContact CD1-CG1 4.41Å; V482-I484 HydrophobicContact CB-CG1 4.41Å; V482-I484 HydrophobicContact CG1-CD1 4.44Å; V482-I484 HydrophobicContact CG1-CG1 3.74Å; I484-K496 HydrophobicContact CB-CB 4.22Å; I484-K496 PolarHBondContact N-O 2.93Å; I484-K496 PolarHBondContact O-N 2.74Å; I484-K496 VanDerWaalsContact O-N 3.17Å; I484-R498 HydrophobicContact CD1-CB 4.15Å
485	L	97.8	Very high	96.2	Very high	1 Å²	1	46.1 Å²	46.1	1%	0.005	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	139.6	172.9	-59.9	175.3	0	0	0	111.2	V432 A433 S434 E442 R443 L446 L490 V495	V432-L485 HydrophobicContact CG1-CD1 4.29Å; A433-L485 PolarHBondContact O-N 2.64Å; S434-L485 WeakPolarHBondContact CA-O 3.29Å; S434-L485 VanDerWaalsContact CB-O 3.32Å; S434-L485 WeakPolarHBondContact CB-O 3.49Å; E442-L485 HydrophobicContact CB-CD1 4.04Å; R443-L485 HydrophobicContact CB-CD1 4.47Å; R443-L485 HydrophobicContact CG-CD1 3.94Å; L446-L485 HydrophobicContact CB-CD1 4.23Å; L446-L485 HydrophobicContact CD2-CD1 4.01Å; L446-L485 HydrophobicContact CD2-CD2 3.67Å; L446-L485 HydrophobicContact CD2-CG 4Å; L485-L490 HydrophobicContact CD2-CD2 4.29Å; L485-V495 HydrophobicContact CD2-CG1 4.22Å; L485-V495 HydrophobicContact CD2-CG2 3.84Å
486	G	96.6	Very high	96.3	Very high	5 Å²	5	44 Å²	44	5%	0.052	23%	0.232	C	C	.	.			trans	-143.1	164.1	167.4	0	0	0	0	0	110.4	Q488 E489 L490	G486-Q488 PolarHBondContact O-N 2.87Å; G486-E489 WeakPolarHBondContact CA-OE2 3.3Å; G486-E489 PolarHBondContact N-OE2 3.26Å; G486-E489 PolarHBondContact O-N 2.88Å; G486-L490 WeakPolarHBondContact O-CB 3.42Å; G486-L490 VanDerWaalsContact O-CG 3.26Å; G486-L490 WeakPolarHBondContact O-CG 3.45Å; G486-L490 PolarHBondContact O-N 3.41Å
487	E	96.3	Very high	96.6	Very high	108 Å²	108	37.7 Å²	37.7	51%	0.505	20%	0.202	S	C	.	.	H	α-helix	trans	-58.5	-33.4	-179.3	-76.1	175	-163.4	0	0	112.8	Q436 K491	Q436-E487 VanDerWaalsContact OE1-CG 3.31Å; E487-K491 VanDerWaalsContact O-CG 3.31Å; E487-K491 WeakPolarHBondContact O-CG 3.46Å; E487-K491 PolarHBondContact O-N 2.87Å
488	Q	95.3	Very high	96.9	Very high	99 Å²	99	37.2 Å²	37.2	46%	0.463	20%	0.198	S	C	.	.	H	α-helix	trans	-75.2	-46.5	178	-171.9	57.1	44.1	0	0	110.7	G486 L490 K491 D492	G486-Q488 PolarHBondContact O-N 2.87Å; Q488-L490 VanDerWaalsContact C-N 3.25Å; Q488-L490 PolarHBondContact O-N 3.26Å; Q488-K491 WeakPolarHBondContact O-CB 3.37Å; Q488-K491 PolarHBondContact O-N 2.87Å; Q488-D492 WeakPolarHBondContact CG-OD2 3.36Å; Q488-D492 PolarHBondContact NE2-OD1 2.96Å; Q488-D492 PolarHBondContact NE2-OD2 2.94Å; Q488-D492 VanDerWaalsContact O-CG 3.32Å; Q488-D492 PolarHBondContact O-N 3.08Å
489	E	94.8	Very high	97	Very high	29 Å²	29	37.6 Å²	37.6	14%	0.136	20%	0.195	C	C	.	.	H	α-helix	trans	-57.7	-39.2	176.1	-68.1	80.5	179.4	0	0	111.8	G486 D492 G493 V494 K496	G486-E489 WeakPolarHBondContact CA-OE2 3.3Å; G486-E489 PolarHBondContact N-OE2 3.26Å; G486-E489 PolarHBondContact O-N 2.88Å; E489-D492 PolarHBondContact O-N 3.28Å; E489-G493 PolarHBondContact O-N 3.34Å; E489-V494 CarbonylContact C-O 3.56Å; E489-V494 HydrophobicContact CB-CG2 3.99Å; E489-V494 WeakPolarHBondContact CB-O 3.29Å; E489-V494 HydrophobicContact CG-CG2 4.16Å; E489-V494 PolarHBondContact O-N 2.87Å; E489-V494 VanDerWaalsContact O-O 3.07Å; E489-K496 HydrophobicContact CG-CB 4.47Å; E489-K496 IonicContact OE1-NZ 3.22Å; E489-K496 PolarHBondContact OE1-NZ 3.03Å
490	L	94.8	Very high	97	Very high	51 Å²	51	38.1 Å²	38.1	27%	0.267	20%	0.198	S	C	.	.	H	α-helix	trans	-65.2	-38.4	174.9	-71.2	169	0	0	0	113	L439 E442 L485 G486 Q488 G493	L439-L490 HydrophobicContact CD2-CD1 3.74Å; E442-L490 HydrophobicContact CB-CD1 4.19Å; E442-L490 HydrophobicContact CB-CD2 4.36Å; E442-L490 HydrophobicContact CG-CD1 3.77Å; E442-L490 HydrophobicContact CG-CD2 4.37Å; L485-L490 HydrophobicContact CD2-CD2 4.29Å; G486-L490 WeakPolarHBondContact O-CB 3.42Å; G486-L490 VanDerWaalsContact O-CG 3.26Å; G486-L490 WeakPolarHBondContact O-CG 3.45Å; G486-L490 PolarHBondContact O-N 3.41Å; Q488-L490 VanDerWaalsContact C-N 3.25Å; Q488-L490 PolarHBondContact O-N 3.26Å; L490-G493 PolarHBondContact O-N 2.84Å
491	K	96	Very high	96.8	Very high	155 Å²	155	42.8 Å²	42.8	67%	0.674	23%	0.226	S	C	*	.	H	α-helix	trans	-67.8	-38.3	175.2	-73.2	172	-171.4	173.8	0	111.7	E487 Q488 G493	E487-K491 VanDerWaalsContact O-CG 3.31Å; E487-K491 WeakPolarHBondContact O-CG 3.46Å; E487-K491 PolarHBondContact O-N 2.87Å; Q488-K491 WeakPolarHBondContact O-CB 3.37Å; Q488-K491 PolarHBondContact O-N 2.87Å; K491-G493 VanDerWaalsContact C-N 3.26Å; K491-G493 PolarHBondContact O-N 2.84Å
492	D	95.8	Very high	96.7	Very high	99 Å²	99	45.3 Å²	45.3	53%	0.529	24%	0.244	S	C	.	.	H	α-helix	trans	-82.3	-5.6	-177.8	-61.8	-22.8	0	0	0	112.4	Q488 E489 V494	Q488-D492 WeakPolarHBondContact CG-OD2 3.36Å; Q488-D492 PolarHBondContact NE2-OD1 2.96Å; Q488-D492 PolarHBondContact NE2-OD2 2.94Å; Q488-D492 VanDerWaalsContact O-CG 3.32Å; Q488-D492 PolarHBondContact O-N 3.08Å; E489-D492 PolarHBondContact O-N 3.28Å; D492-V494 VanDerWaalsContact C-N 3.29Å; D492-V494 HydrophobicContact CB-CG2 4.05Å; D492-V494 PolarHBondContact O-N 3.46Å
493	G	96.1	Very high	96.6	Very high	40 Å²	40	53 Å²	53	41%	0.412	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.9	23.6	179.4	0	0	0	0	0	113.6	E489 L490 K491 R510	E489-G493 PolarHBondContact O-N 3.34Å; L490-G493 PolarHBondContact O-N 2.84Å; K491-G493 VanDerWaalsContact C-N 3.26Å; K491-G493 PolarHBondContact O-N 2.84Å; G493-R510 WeakPolarHBondContact O-CB 3.41Å; G493-R510 PolarHBondContact O-N 2.88Å
494	V	97.9	Very high	96.5	Very high	29 Å²	29	59.2 Å²	59.2	18%	0.176	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	164.8	-177.4	-58.4	0	0	0	0	111.5	E489 D492 D507 V508	E489-V494 CarbonylContact C-O 3.56Å; E489-V494 HydrophobicContact CB-CG2 3.99Å; E489-V494 WeakPolarHBondContact CB-O 3.29Å; E489-V494 HydrophobicContact CG-CG2 4.16Å; E489-V494 PolarHBondContact O-N 2.87Å; E489-V494 VanDerWaalsContact O-O 3.07Å; D492-V494 VanDerWaalsContact C-N 3.29Å; D492-V494 HydrophobicContact CB-CG2 4.05Å; D492-V494 PolarHBondContact O-N 3.46Å; V494-D507 HydrophobicContact CG2-CB 4.48Å; V494-V508 CarbonylContact C-O 3.59Å; V494-V508 WeakPolarHBondContact CA-O 3.37Å
495	V	97.9	Very high	96.4	Very high	1 Å²	1	62.7 Å²	62.7	1%	0.006	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	130.5	170.3	179.1	0	0	0	0	107.9	L446 A483 L485 L497 V508 R510 L513	L446-V495 HydrophobicContact CD2-CG1 4.2Å; L446-V495 HydrophobicContact CD2-CG2 4.16Å; A483-V495 HydrophobicContact CB-CG1 3.83Å; L485-V495 HydrophobicContact CD2-CG1 4.22Å; L485-V495 HydrophobicContact CD2-CG2 3.84Å; V495-L497 PolarHBondContact O-N 3.28Å; V495-V508 PolarHBondContact N-O 3.15Å; V495-V508 PolarHBondContact O-N 2.9Å; V495-R510 HydrophobicContact CG2-CG 4.47Å; V495-L513 HydrophobicContact CB-CD1 4.32Å; V495-L513 HydrophobicContact CB-CD2 4.15Å; V495-L513 HydrophobicContact CG1-CD1 4.31Å; V495-L513 HydrophobicContact CG1-CD2 4.16Å; V495-L513 HydrophobicContact CG2-CD2 4.03Å
496	K	98.3	Very high	96.4	Very high	48 Å²	48	65.8 Å²	65.8	21%	0.209	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	107.1	177.5	-177.8	169	-74.1	148.1	0	109.4	I484 E489 E505 D507	I484-K496 HydrophobicContact CB-CB 4.22Å; I484-K496 PolarHBondContact N-O 2.93Å; I484-K496 PolarHBondContact O-N 2.74Å; I484-K496 VanDerWaalsContact O-N 3.17Å; E489-K496 HydrophobicContact CG-CB 4.47Å; E489-K496 IonicContact OE1-NZ 3.22Å; E489-K496 PolarHBondContact OE1-NZ 3.03Å; K496-E505 HydrophobicContact CD-CB 4.47Å; K496-E505 WeakPolarHBondContact CD-OE2 3.43Å; K496-E505 HydrophobicContact CG-CB 4.2Å; K496-D507 WeakPolarHBondContact CE-OD1 3.41Å
497	L	98.3	Very high	96.4	Very high	0 Å²	0	70 Å²	70	0%	0	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	115.5	-179	-172.3	65.2	0	0	0	109.9	V430 L481 A483 V495 E505 V506 V508 L513 E516 I517	V430-L497 HydrophobicContact CG2-CD1 4.45Å; L481-L497 HydrophobicContact CB-CD1 4.16Å; L481-L497 HydrophobicContact CD1-CD1 4.48Å; A483-L497 HydrophobicContact CB-CD1 4.48Å; V495-L497 PolarHBondContact O-N 3.28Å; L497-E505 WeakPolarHBondContact O-CA 3.45Å; L497-V506 PolarHBondContact N-O 3.2Å; L497-V506 PolarHBondContact O-N 3.3Å; L497-V508 HydrophobicContact CB-CG2 3.85Å; L497-V508 HydrophobicContact CD2-CG2 4.27Å; L497-L513 HydrophobicContact CD1-CD1 4.29Å; L497-L513 HydrophobicContact CD2-CD1 4.48Å; L497-E516 HydrophobicContact CD2-CG 3.84Å; L497-I517 HydrophobicContact CD1-CG1 4.34Å; L497-I517 HydrophobicContact CD2-CG1 4.46Å
498	R	98.1	Very high	96.5	Very high	40 Å²	40	65.3 Å²	65.3	15%	0.151	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	134.9	178.6	-175.4	178.9	178	142.1	-9	111.5	L481 V482 I484 E504 E505	L481-R498 CarbonylContact C-O 3.44Å; L481-R498 WeakPolarHBondContact CA-O 3.14Å; V482-R498 HydrophobicContact CB-CB 4.34Å; V482-R498 PolarHBondContact N-O 3.29Å; V482-R498 PolarHBondContact O-N 3.42Å; I484-R498 HydrophobicContact CD1-CB 4.15Å; R498-E504 CarbonylContact C-O 3.54Å; R498-E504 VanDerWaalsContact CA-O 3.32Å; R498-E504 WeakPolarHBondContact CA-O 3.31Å; R498-E505 HydrophobicContact CB-CG 3.84Å; R498-E505 WeakPolarHBondContact CD-OE1 3.32Å; R498-E505 HydrophobicContact CG-CG 3.7Å; R498-E505 IonicContact CZ-OE1 3.74Å; R498-E505 IonicContact NE-OE1 2.64Å; R498-E505 IonicContact NH1-OE1 2.84Å; R498-E505 PolarHBondContact NH1-OE1 2.92Å
499	V	97.5	Very high	96.7	Very high	32 Å²	32	63.3 Å²	63.3	19%	0.194	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	124.8	165.2	-178.8	0	0	0	0	108.7	L481 S502 R503 E504	L481-V499 HydrophobicContact CD2-CG2 3.99Å; V499-S502 WeakPolarHBondContact CB-OG 3.49Å; V499-S502 WeakPolarHBondContact CG1-OG 3.41Å; V499-R503 WeakPolarHBondContact O-CA 3.33Å; V499-R503 PolarHBondContact O-N 2.99Å; V499-E504 PolarHBondContact N-O 3Å
500	V	95.4	Very high	96.7	Very high	12 Å²	12	65.3 Å²	65.3	7%	0.073	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-44.8	-172.4	174.4	0	0	0	0	111.7	C474 E475 I479 P480 V482	C474-V500 HydrophobicContact CB-CG1 4.16Å; C474-V500 HydrophobicContact CB-CG2 3.77Å; E475-V500 HydrophobicContact CG-CG1 3.77Å; I479-V500 WeakPolarHBondContact O-CB 3.45Å; I479-V500 VanDerWaalsContact O-CG2 3.27Å; I479-V500 WeakPolarHBondContact O-CG2 3.33Å; P480-V500 PolarHBondContact O-N 3.29Å; V482-V500 HydrophobicContact CG2-CG2 3.58Å
501	V	93.3	Very high	96.7	Very high	133 Å²	133	67.4 Å²	67.4	81%	0.806	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-53.4	-176.5	-179.6	0	0	0	0	112	R503	V501-R503 VanDerWaalsContact C-N 3.33Å
502	S	95.2	Very high	96.8	Very high	57 Å²	57	63.9 Å²	63.9	40%	0.399	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-17.3	-178.6	68	0	0	0	0	113.4	V499 E504	V499-S502 WeakPolarHBondContact CB-OG 3.49Å; V499-S502 WeakPolarHBondContact CG1-OG 3.41Å; S502-E504 PolarHBondContact O-N 3.34Å; S502-E504 PolarHBondContact OG-N 3.32Å; S502-E504 PolarHBondContact OG-OE2 3.31Å
503	R	96.1	Very high	96.9	Very high	161 Å²	161	59.3 Å²	59.3	61%	0.608	32%	0.321	S	S	*	.			trans	63.5	9.2	-174.6	-52	177.3	172.6	-179.1	-2.2	114.5	V499 V501	V499-R503 WeakPolarHBondContact O-CA 3.33Å; V499-R503 PolarHBondContact O-N 2.99Å; V501-R503 VanDerWaalsContact C-N 3.33Å
504	E	96.4	Very high	96.9	Very high	130 Å²	130	59.9 Å²	59.9	61%	0.607	32%	0.315	S	S	*	.			trans	-68.9	138.7	175.5	-67.6	175.6	162.3	0	0	110.6	R498 V499 S502	R498-E504 CarbonylContact C-O 3.54Å; R498-E504 VanDerWaalsContact CA-O 3.32Å; R498-E504 WeakPolarHBondContact CA-O 3.31Å; V499-E504 PolarHBondContact N-O 3Å; S502-E504 PolarHBondContact O-N 3.34Å; S502-E504 PolarHBondContact OG-N 3.32Å; S502-E504 PolarHBondContact OG-OE2 3.31Å
505	E	97	Very high	96.9	Very high	87 Å²	87	63.3 Å²	63.3	41%	0.407	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	134.2	-179.1	-65.5	-178.4	176.3	0	0	109	K496 L497 R498	K496-E505 HydrophobicContact CD-CB 4.47Å; K496-E505 WeakPolarHBondContact CD-OE2 3.43Å; K496-E505 HydrophobicContact CG-CB 4.2Å; L497-E505 WeakPolarHBondContact O-CA 3.45Å; R498-E505 HydrophobicContact CB-CG 3.84Å; R498-E505 WeakPolarHBondContact CD-OE1 3.32Å; R498-E505 HydrophobicContact CG-CG 3.7Å; R498-E505 IonicContact CZ-OE1 3.74Å; R498-E505 IonicContact NE-OE1 2.64Å; R498-E505 IonicContact NH1-OE1 2.84Å; R498-E505 PolarHBondContact NH1-OE1 2.92Å
506	V	97.4	Very high	96.8	Very high	66 Å²	66	65 Å²	65	40%	0.4	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	133.4	176.8	-178.7	0	0	0	0	108.2	L497 V508	L497-V506 PolarHBondContact N-O 3.2Å; L497-V506 PolarHBondContact O-N 3.3Å; V506-V508 HydrophobicContact CG1-CG2 4.42Å; V506-V508 PolarHBondContact O-N 3.28Å
507	D	97.9	Very high	96.8	Very high	93 Å²	93	62.7 Å²	62.7	50%	0.497	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	123.1	171.2	-67.2	-28.4	0	0	0	109.1	V494 K496	V494-D507 HydrophobicContact CG2-CB 4.48Å; K496-D507 WeakPolarHBondContact CE-OD1 3.41Å
508	V	97.9	Very high	96.6	Very high	9 Å²	9	67.6 Å²	67.6	6%	0.055	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	127.5	-177.9	-175.5	0	0	0	0	108.4	V494 V495 L497 V506 R510 D512 L513 E516	V494-V508 CarbonylContact C-O 3.59Å; V494-V508 WeakPolarHBondContact CA-O 3.37Å; V495-V508 PolarHBondContact N-O 3.15Å; V495-V508 PolarHBondContact O-N 2.9Å; L497-V508 HydrophobicContact CB-CG2 3.85Å; L497-V508 HydrophobicContact CD2-CG2 4.27Å; V506-V508 HydrophobicContact CG1-CG2 4.42Å; V506-V508 PolarHBondContact O-N 3.28Å; V508-R510 PolarHBondContact O-N 3.24Å; V508-D512 HydrophobicContact CG1-CB 4.22Å; V508-L513 HydrophobicContact CB-CD1 4.48Å; V508-L513 HydrophobicContact CG1-CB 4.45Å; V508-E516 HydrophobicContact CG1-CB 4.16Å; V508-E516 HydrophobicContact CG1-CG 4.46Å; V508-E516 HydrophobicContact CG2-CG 4.23Å
509	P	97.9	Very high	96.5	Very high	57 Å²	57	72.5 Å²	72.5	37%	0.37	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-52.7	136.6	170.9	-25.6	34.9	0	0	0	110.7	S511 D512 L513	P509-S511 PolarHBondContact O-N 3.1Å; P509-S511 VanDerWaalsContact O-N 3.08Å; P509-D512 PolarHBondContact O-N 2.78Å; P509-L513 PolarHBondContact O-N 3.45Å
510	R	95.2	Very high	96.3	Very high	71 Å²	71	74 Å²	74	27%	0.268	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-29.6	-176.7	-171.9	173.8	-178.4	160.7	-2.1	112.7	E449 G493 V495 V508 D512	E449-R510 IonicContact OE1-CZ 3.22Å; E449-R510 IonicContact OE1-NE 3.5Å; E449-R510 IonicContact OE1-NH2 4Å; E449-R510 PolarHBondContact OE1-NH2 3.04Å; E449-R510 IonicContact OE2-CZ 2.71Å; E449-R510 IonicContact OE2-NE 3.63Å; E449-R510 PolarHBondContact OE2-NE 3.5Å; E449-R510 IonicContact OE2-NH2 2.83Å; E449-R510 PolarHBondContact OE2-NH2 2.74Å; G493-R510 WeakPolarHBondContact O-CB 3.41Å; G493-R510 PolarHBondContact O-N 2.88Å; V495-R510 HydrophobicContact CG2-CG 4.47Å; V508-R510 PolarHBondContact O-N 3.24Å; R510-D512 VanDerWaalsContact C-N 3.27Å; R510-D512 PolarHBondContact O-N 3.38Å
511	S	96.2	Very high	96	Very high	95 Å²	95	73.9 Å²	73.9	66%	0.664	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-32	174	56.4	0	0	0	0	113.7	P509	P509-S511 PolarHBondContact O-N 3.1Å; P509-S511 VanDerWaalsContact O-N 3.08Å
512	D	97.3	Very high	95	Very high	82 Å²	82	71.7 Å²	71.7	44%	0.439	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102	-10.4	-169.9	-57	-14.3	0	0	0	112	V508 P509 R510 I514 T515 E516	V508-D512 HydrophobicContact CG1-CB 4.22Å; P509-D512 PolarHBondContact O-N 2.78Å; R510-D512 VanDerWaalsContact C-N 3.27Å; R510-D512 PolarHBondContact O-N 3.38Å; D512-I514 VanDerWaalsContact C-N 3.32Å; D512-I514 PolarHBondContact O-N 3.4Å; D512-T515 WeakPolarHBondContact O-CB 3.24Å; D512-T515 PolarHBondContact O-N 3.4Å; D512-T515 VanDerWaalsContact O-N 3.09Å; D512-E516 PolarHBondContact O-N 2.76Å
513	L	97.4	Very high	92.7	Very high	2 Å²	2	77.1 Å²	77.1	1%	0.01	39%	0.39	C	S	.	.	H	α-helix	trans	-54.5	-43.5	-174	-178.7	66.5	0	0	0	113.1	L446 L450 V495 L497 V508 P509 E516 I517	L446-L513 HydrophobicContact CD1-CD2 3.75Å; L446-L513 HydrophobicContact CD2-CD2 4.28Å; L446-L513 HydrophobicContact CG-CD2 4.49Å; L450-L513 HydrophobicContact CD2-CD2 4.28Å; V495-L513 HydrophobicContact CB-CD1 4.32Å; V495-L513 HydrophobicContact CB-CD2 4.15Å; V495-L513 HydrophobicContact CG1-CD1 4.31Å; V495-L513 HydrophobicContact CG1-CD2 4.16Å; V495-L513 HydrophobicContact CG2-CD2 4.03Å; L497-L513 HydrophobicContact CD1-CD1 4.29Å; L497-L513 HydrophobicContact CD2-CD1 4.48Å; V508-L513 HydrophobicContact CB-CD1 4.48Å; V508-L513 HydrophobicContact CG1-CB 4.45Å; P509-L513 PolarHBondContact O-N 3.45Å; L513-E516 PolarHBondContact O-N 3.37Å; L513-I517 HydrophobicContact CD1-CD1 3.92Å; L513-I517 HydrophobicContact CD1-CG1 4.24Å; L513-I517 HydrophobicContact CD2-CD1 4.4Å; L513-I517 HydrophobicContact CG-CD1 3.75Å; L513-I517 HydrophobicContact CG-CG1 4.46Å; L513-I517 WeakPolarHBondContact O-CD1 3.45Å; L513-I517 VanDerWaalsContact O-CG1 3.27Å; L513-I517 WeakPolarHBondContact O-CG1 3.41Å; L513-I517 PolarHBondContact O-N 2.8Å
514	I	97	Very high	90.1	Very high	53 Å²	53	75.3 Å²	75.3	27%	0.272	41%	0.41	S	S	.	.	H	α-helix	trans	-61.7	-46.8	179.5	-67.9	160.8	0	0	0	110.4	L450 A453 I455 D512 E516 I517 K518	L450-I514 HydrophobicContact CD2-CG1 4.21Å; A453-I514 HydrophobicContact CB-CD1 3.54Å; A453-I514 HydrophobicContact CB-CG1 3.88Å; A453-I514 HydrophobicContact CB-CG2 3.82Å; I455-I514 HydrophobicContact CG1-CG2 4.42Å; D512-I514 VanDerWaalsContact C-N 3.32Å; D512-I514 PolarHBondContact O-N 3.4Å; I514-E516 VanDerWaalsContact C-N 3.33Å; I514-I517 PolarHBondContact O-N 3.37Å; I514-K518 HydrophobicContact CG2-CD 4.36Å; I514-K518 WeakPolarHBondContact O-CG 3.14Å; I514-K518 PolarHBondContact O-N 2.79Å
515	T	96.8	Very high	89.8	Confident	101 Å²	101	72.6 Å²	72.6	62%	0.62	40%	0.4	S	S	*	.	H	α-helix	trans	-62.7	-43.3	179.2	-55.4	0	0	0	0	110.6	D512 K518 R519	D512-T515 WeakPolarHBondContact O-CB 3.24Å; D512-T515 PolarHBondContact O-N 3.4Å; D512-T515 VanDerWaalsContact O-N 3.09Å; T515-K518 PolarHBondContact O-N 3.4Å; T515-R519 WeakPolarHBondContact O-CB 3.33Å; T515-R519 PolarHBondContact O-N 3.01Å
516	E	96.9	Very high	89.4	Confident	36 Å²	36	71.8 Å²	71.8	17%	0.168	40%	0.4	C	S	.	.	H	α-helix	trans	-68.9	-39.2	-179	-174.7	60.6	-173.5	0	0	112.4	L497 V508 D512 L513 I514 R519 R520	L497-E516 HydrophobicContact CD2-CG 3.84Å; V508-E516 HydrophobicContact CG1-CB 4.16Å; V508-E516 HydrophobicContact CG1-CG 4.46Å; V508-E516 HydrophobicContact CG2-CG 4.23Å; D512-E516 PolarHBondContact O-N 2.76Å; L513-E516 PolarHBondContact O-N 3.37Å; I514-E516 VanDerWaalsContact C-N 3.33Å; E516-R519 PolarHBondContact O-N 3.36Å; E516-R519 IonicContact OE1-CZ 3.85Å; E516-R519 IonicContact OE1-NE 2.77Å; E516-R519 PolarHBondContact OE1-NE 3.18Å; E516-R519 IonicContact OE1-NH2 3.14Å; E516-R519 PolarHBondContact OE1-NH2 3.31Å; E516-R519 IonicContact OE2-CZ 3.97Å; E516-R519 IonicContact OE2-NE 2.69Å; E516-R519 PolarHBondContact OE2-NE 2.86Å; E516-R519 IonicContact OE2-NH2 3.19Å; E516-R520 WeakPolarHBondContact O-CG 3.35Å; E516-R520 PolarHBondContact O-N 2.79Å; E516-R520 IonicContact OE1-CZ 3.03Å; E516-R520 IonicContact OE1-NE 3.44Å; E516-R520 PolarHBondContact OE1-NE 3.5Å; E516-R520 IonicContact OE1-NH2 3.81Å; E516-R520 PolarHBondContact OE1-NH2 2.9Å
517	I	96.7	Very high	89	Confident	0 Å²	0	72.2 Å²	72.2	0%	0	40%	0.4	C	S	.	.	H	α-helix	trans	-61.3	-46.8	172.5	-69.3	162	0	0	0	110.1	Q429 V430 L450 I455 L481 L497 L513 I514 R519 R520 T521	Q429-I517 HydrophobicContact CB-CG2 4.41Å; V430-I517 HydrophobicContact CB-CD1 4.44Å; V430-I517 HydrophobicContact CG1-CD1 4.07Å; V430-I517 HydrophobicContact CG2-CD1 4.41Å; L450-I517 HydrophobicContact CD1-CD1 4.48Å; L450-I517 HydrophobicContact CD2-CD1 3.6Å; I455-I517 HydrophobicContact CD1-CG2 4.07Å; I455-I517 HydrophobicContact CG2-CG2 3.85Å; L481-I517 HydrophobicContact CD1-CB 4.44Å; L481-I517 HydrophobicContact CD1-CG1 4.26Å; L481-I517 HydrophobicContact CD1-CG2 4.16Å; L497-I517 HydrophobicContact CD1-CG1 4.34Å; L497-I517 HydrophobicContact CD2-CG1 4.46Å; L513-I517 HydrophobicContact CD1-CD1 3.92Å; L513-I517 HydrophobicContact CD1-CG1 4.24Å; L513-I517 HydrophobicContact CD2-CD1 4.4Å; L513-I517 HydrophobicContact CG-CD1 3.75Å; L513-I517 HydrophobicContact CG-CG1 4.46Å; L513-I517 WeakPolarHBondContact O-CD1 3.45Å; L513-I517 VanDerWaalsContact O-CG1 3.27Å; L513-I517 WeakPolarHBondContact O-CG1 3.41Å; L513-I517 PolarHBondContact O-N 2.8Å; I514-I517 PolarHBondContact O-N 3.37Å; I517-R519 VanDerWaalsContact C-N 3.33Å; I517-R519 PolarHBondContact O-N 2.73Å; I517-R520 PolarHBondContact O-N 2.66Å; I517-T521 WeakPolarHBondContact O-CB 3.39Å; I517-T521 WeakPolarHBondContact O-CG2 3.35Å; I517-T521 PolarHBondContact O-N 2.82Å; I517-T521 VanDerWaalsContact O-N 3.08Å; I517-T521 PolarHBondContact O-OG1 3.44Å
518	K	95.3	Very high	88.5	Confident	102 Å²	102	70.9 Å²	70.9	44%	0.443	39%	0.394	S	S	.	.	H	α-helix	trans	-58.2	-46.7	177	-72.6	-179.4	-179.8	177.7	0	110.8	A453 I455 I514 T515 R520 T521 S522	A453-K518 PolarHBondContact O-NZ 3.23Å; I455-K518 HydrophobicContact CD1-CD 4.33Å; I455-K518 HydrophobicContact CD1-CG 3.65Å; I514-K518 HydrophobicContact CG2-CD 4.36Å; I514-K518 WeakPolarHBondContact O-CG 3.14Å; I514-K518 PolarHBondContact O-N 2.79Å; T515-K518 PolarHBondContact O-N 3.4Å; K518-R520 VanDerWaalsContact C-N 3.34Å; K518-R520 PolarHBondContact O-N 3.13Å; K518-T521 CarbonylContact O-C 3.56Å; K518-T521 PolarHBondContact O-N 3.11Å; K518-S522 WeakPolarHBondContact O-CB 3.2Å; K518-S522 PolarHBondContact O-N 3.24Å; K518-S522 PolarHBondContact O-OG 3.3Å
519	R	95.1	Very high	87.9	Confident	144 Å²	144	74.8 Å²	74.8	54%	0.543	42%	0.415	S	S	.	.	H	α-helix	trans	-60	-39.7	178.9	-167.3	-165.6	67.8	75.2	-2.8	112.8	T515 E516 I517 T521 S522	T515-R519 WeakPolarHBondContact O-CB 3.33Å; T515-R519 PolarHBondContact O-N 3.01Å; E516-R519 PolarHBondContact O-N 3.36Å; E516-R519 IonicContact OE1-CZ 3.85Å; E516-R519 IonicContact OE1-NE 2.77Å; E516-R519 PolarHBondContact OE1-NE 3.18Å; E516-R519 IonicContact OE1-NH2 3.14Å; E516-R519 PolarHBondContact OE1-NH2 3.31Å; E516-R519 IonicContact OE2-CZ 3.97Å; E516-R519 IonicContact OE2-NE 2.69Å; E516-R519 PolarHBondContact OE2-NE 2.86Å; E516-R519 IonicContact OE2-NH2 3.19Å; I517-R519 VanDerWaalsContact C-N 3.33Å; I517-R519 PolarHBondContact O-N 2.73Å; R519-T521 VanDerWaalsContact C-N 3.33Å; R519-S522 WeakPolarHBondContact CA-OG 3.45Å; R519-S522 PolarHBondContact O-OG 3.46Å
520	R	93	Very high	87.2	Confident	63 Å²	63	76 Å²	76	24%	0.238	42%	0.418	C	S	.	.	H	α-helix	trans	-81.3	-10.1	-180	-68.4	-171.7	-168	-158.2	4.2	114.3	L481 E516 I517 K518	L481-R520 HydrophobicContact CD1-CB 4.05Å; L481-R520 HydrophobicContact CD2-CB 4.39Å; E516-R520 WeakPolarHBondContact O-CG 3.35Å; E516-R520 PolarHBondContact O-N 2.79Å; E516-R520 IonicContact OE1-CZ 3.03Å; E516-R520 IonicContact OE1-NE 3.44Å; E516-R520 PolarHBondContact OE1-NE 3.5Å; E516-R520 IonicContact OE1-NH2 3.81Å; E516-R520 PolarHBondContact OE1-NH2 2.9Å; I517-R520 PolarHBondContact O-N 2.66Å; K518-R520 VanDerWaalsContact C-N 3.34Å; K518-R520 PolarHBondContact O-N 3.13Å
521	T	89.3	Confident	86.6	Confident	10 Å²	10	76.4 Å²	76.4	6%	0.061	43%	0.429	C	S	.	.	H	α-helix	trans	-125.8	8.5	-176.5	60.8	0	0	0	0	113.3	Q429 P480 L481 I517 K518 R519 D523 A524	Q429-T521 HydrophobicContact CB-CG2 4.13Å; Q429-T521 HydrophobicContact CG-CG2 4.26Å; Q429-T521 PolarHBondContact NE2-OG1 3.18Å; P480-T521 HydrophobicContact CG-CG2 4.2Å; L481-T521 HydrophobicContact CD1-CG2 3.72Å; L481-T521 HydrophobicContact CG-CG2 4.38Å; I517-T521 WeakPolarHBondContact O-CB 3.39Å; I517-T521 WeakPolarHBondContact O-CG2 3.35Å; I517-T521 PolarHBondContact O-N 2.82Å; I517-T521 VanDerWaalsContact O-N 3.08Å; I517-T521 PolarHBondContact O-OG1 3.44Å; K518-T521 CarbonylContact O-C 3.56Å; K518-T521 PolarHBondContact O-N 3.11Å; R519-T521 VanDerWaalsContact C-N 3.33Å; T521-D523 VanDerWaalsContact C-N 3.27Å; T521-D523 PolarHBondContact O-N 3.4Å; T521-A524 PolarHBondContact O-N 2.81Å
522	S	72.2	Confident	85.9	Confident	87 Å²	87	74.9 Å²	74.9	61%	0.608	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-20.9	178.8	2	0	0	0	0	112.7	K518 R519	K518-S522 WeakPolarHBondContact O-CB 3.2Å; K518-S522 PolarHBondContact O-N 3.24Å; K518-S522 PolarHBondContact O-OG 3.3Å; R519-S522 WeakPolarHBondContact CA-OG 3.45Å; R519-S522 PolarHBondContact O-OG 3.46Å
523	D	47.9	Very low	84.9	Confident	170 Å²	170	74.3 Å²	74.3	91%	0.909	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100	9.3	177.3	-64.2	-28.6	0	0	0	113	T521	T521-D523 VanDerWaalsContact C-N 3.27Å; T521-D523 PolarHBondContact O-N 3.4Å
524	A	41.7	Very low	83.8	Confident	124 Å²	124	80.9 Å²	80.9	100%	1.025	44%	0.444	S	S	*	.			trans	-108.5	0	-171.6	0	0	0	0	0	114.3	T521	T521-A524 PolarHBondContact O-N 2.81Å

Retrieved 524 of 524 residues in 485.4 ms (Link to these results)

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