F7FYU9_MACMU Loading...

Collagen beta(1-O)galactosyltransferase 2

AlphaFold DB , UniProt , Accession F7FYU9, Species MACMU (Macaca mulatta, Rhesus macaque), Gene COLGALT2, Length 626 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	34.8	Very low	30.7	Very low	247 Å²	247	147.9 Å²	147.9	100%	1.217	86%	0.856	S	S	*	*				0	144.3	0	-83.6	168.6	164	0	0	108.5
2	A	35	Very low	30.4	Very low	105 Å²	105	144.8 Å²	144.8	87%	0.868	85%	0.848	S	S	*	*			trans	6.5	146.5	174.2	0	0	0	0	0	122.2
3	A	27	Very low	30	Very low	98 Å²	98	146.4 Å²	146.4	81%	0.81	85%	0.85	S	S	*	*			cis	-171	141.7	-26.2	0	0	0	0	0	108.3
4	R	33.1	Very low	29.8	Very low	235 Å²	235	146.5 Å²	146.5	89%	0.887	85%	0.845	S	S	*	*			trans	-72.2	173	160.8	-79.7	-176.8	-179.8	-174.8	0.4	109.6
5	P	40.9	Very low	29.5	Very low	115 Å²	115	146.9 Å²	146.9	75%	0.747	84%	0.841	S	S	*	*			cis	-143.2	-175.3	31.1	43.6	-21.4	0	0	0	114.3
6	A	32.4	Very low	29.3	Very low	95 Å²	95	148.3 Å²	148.3	79%	0.785	84%	0.844	S	S	*	*			cis	77.7	89.8	23.9	0	0	0	0	0	117.2
7	A	27.3	Very low	29.1	Very low	88 Å²	88	144.8 Å²	144.8	73%	0.727	83%	0.831	S	S	*	*			trans	-159.7	118	161.1	0	0	0	0	0	107.6
8	T	28.7	Very low	29	Very low	130 Å²	130	143.7 Å²	143.7	80%	0.798	83%	0.833	S	S	*	*				59.8	115	70.5	65.5	0	0	0	0	115.4
9	L	26.7	Very low	28.8	Very low	185 Å²	185	140.7 Å²	140.7	97%	0.969	83%	0.827	S	S	*	*			trans	-163.7	151.9	140.3	-108.1	153.7	0	0	0	110.5
10	A	26.8	Very low	28.7	Very low	80 Å²	80	142.5 Å²	142.5	66%	0.661	83%	0.832	S	S	*	*			trans	-132.5	158.4	-168.3	0	0	0	0	0	112.4
11	W	25.5	Very low	28.8	Very low	249 Å²	249	143.6 Å²	143.6	94%	0.943	83%	0.834	S	S	*	*			trans	39.8	110.9	145.9	-86.5	56.1	0	0	0	120.6
12	S	26.1	Very low	28.5	Very low	110 Å²	110	142.4 Å²	142.4	77%	0.769	82%	0.816	S	S	*	*			trans	159.7	154.6	139.5	46.7	0	0	0	0	108.3
13	L	25.7	Very low	28.2	Very low	166 Å²	166	146.1 Å²	146.1	87%	0.869	82%	0.815	S	S	*	*			cis	-137.1	166.7	26	-90.8	89.7	0	0	0	113.9
14	L	26.9	Very low	28.2	Very low	148 Å²	148	144.8 Å²	144.8	78%	0.775	81%	0.811	S	S	*	*			trans	-105.1	159.2	166.6	-106.5	142.8	0	0	0	110.7
15	L	26.4	Very low	28.1	Very low	152 Å²	152	139.7 Å²	139.7	80%	0.796	81%	0.81	S	S	*	*			trans	66.9	128	153.7	-69.1	160	0	0	0	120.5
16	L	25.8	Very low	27.4	Very low	169 Å²	169	146.1 Å²	146.1	89%	0.885	82%	0.82	S	S	*	*			trans	162.1	139.7	139	-86.6	157.7	0	0	0	107.4
17	S	26.6	Very low	27.7	Very low	89 Å²	89	146 Å²	146	62%	0.622	82%	0.819	S	S	*	*			cis	-166.6	144.5	-19.7	44.2	0	0	0	0	110	A19	S17-A19 PolarHBondContact O-N 3.42Å
18	S	25.6	Very low	27.8	Very low	125 Å²	125	153.4 Å²	153.4	87%	0.874	83%	0.828	S	S	*	*			trans	-39.4	125.1	156.4	50.7	0	0	0	0	114
19	A	25.9	Very low	28.5	Very low	87 Å²	87	157.9 Å²	157.9	72%	0.719	84%	0.837	S	S	*	*			trans	-152.7	107.5	163.4	0	0	0	0	0	110.5	S17	S17-A19 PolarHBondContact O-N 3.42Å
20	L	27.2	Very low	28.7	Very low	177 Å²	177	153.7 Å²	153.7	93%	0.927	83%	0.829	S	S	*	*			trans	167	89.9	143.5	-91.6	161.2	0	0	0	110.2
21	L	30.3	Very low	29.6	Very low	166 Å²	166	154.8 Å²	154.8	87%	0.869	84%	0.838	S	S	*	*			trans	-152.6	141.2	164.6	-111.5	169.9	0	0	0	107.7
22	R	28.7	Very low	30.1	Very low	221 Å²	221	152 Å²	152	83%	0.834	84%	0.835	S	S	*	*			trans	80.7	132	-169.2	-55.1	-175.7	178.1	-158.5	-1	113.1
23	E	29.7	Very low	30.9	Very low	183 Å²	183	152.2 Å²	152.2	86%	0.855	83%	0.834	S	S	*	*			cis	-142.6	167.2	3	-65.1	-159	166.4	0	0	110.4
24	G	26.9	Very low	31.8	Very low	70 Å²	70	152.1 Å²	152.1	72%	0.722	84%	0.835	S	S	*	*			cis	165.6	156.1	-6.6	0	0	0	0	0	114.7
25	C	29.4	Very low	32.5	Very low	129 Å²	129	150.3 Å²	150.3	87%	0.872	83%	0.834	S	S	*	*			trans	51.3	106.2	161.1	-142.4	0	0	0	0	121.2
26	R	27.7	Very low	33.5	Very low	250 Å²	250	151.9 Å²	151.9	94%	0.943	84%	0.838	S	S	*	*				-171.1	149.3	115.1	-106.2	174.1	178.9	-177.2	0.2	112.7
27	A	37.4	Very low	34.6	Very low	93 Å²	93	151.3 Å²	151.3	77%	0.769	84%	0.835	S	S	*	*			trans	-83.2	152.3	-174	0	0	0	0	0	113.9
28	R	30.5	Very low	35.8	Very low	242 Å²	242	154.5 Å²	154.5	91%	0.913	85%	0.845	S	S	*	*			trans	-162.4	123.2	137	-106.6	165.3	-169.6	-167.2	1	110
29	F	42.5	Very low	37.1	Very low	224 Å²	224	151.2 Å²	151.2	98%	0.982	83%	0.831	S	S	*	*			trans	-72.6	121	158	-88.7	-96.3	0	0	0	107.6
30	A	32	Very low	38.7	Very low	97 Å²	97	156 Å²	156	80%	0.802	84%	0.839	S	S	*	*			trans	-147.1	119.7	162.1	0	0	0	0	0	106.2
31	A	45.8	Very low	40.4	Very low	103 Å²	103	155.8 Å²	155.8	85%	0.851	83%	0.833	S	S	*	*			trans	-90.1	129.1	173.5	0	0	0	0	0	108.3
32	E	35.9	Very low	42	Very low	191 Å²	191	153.1 Å²	153.1	89%	0.893	83%	0.826	S	S	*	*			trans	-157.7	161.3	167	-108.3	174.6	-153.6	0	0	107.6
33	P	42.9	Very low	44.1	Very low	115 Å²	115	148 Å²	148	75%	0.747	82%	0.818	S	S	*	*	P	Polyproline II helix		-93.5	172	-115.1	35.1	-39.6	0	0	0	115.1	S35	P33-S35 PolarHBondContact O-N 3.21Å
34	D	42.9	Very low	46.2	Very low	164 Å²	164	145.5 Å²	145.5	88%	0.877	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-46.8	118.2	177.1	-57.1	-59.9	0	0	0	112
35	S	43.3	Very low	48.7	Very low	110 Å²	110	150 Å²	150	77%	0.769	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-71	131.3	165	53.4	0	0	0	0	108.8	P33 D37	P33-S35 PolarHBondContact O-N 3.21Å; S35-D37 PolarHBondContact O-N 3.34Å
36	E	47	Very low	51.3	Low	185 Å²	185	149.5 Å²	149.5	86%	0.864	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-51	128.7	-179.2	-65.7	172.9	136.7	0	0	111.2	D38	E36-D38 PolarHBondContact O-N 3.05Å
37	D	48.4	Very low	54.2	Low	156 Å²	156	146.9 Å²	146.9	83%	0.834	81%	0.809	S	S	*	*			trans	-69.3	97	173	-172.6	34.8	0	0	0	107.4	S35 G39	S35-D37 PolarHBondContact O-N 3.34Å; D37-G39 PolarHBondContact O-N 2.82Å
38	D	51	Low	56.7	Low	156 Å²	156	147.5 Å²	147.5	83%	0.834	81%	0.808	S	S	*	*			trans	-63.5	81.9	168.7	-91.7	-34	0	0	0	108	E36 E40	E36-D38 PolarHBondContact O-N 3.05Å; D38-E40 VanDerWaalsContact C-N 3.33Å; D38-E40 PolarHBondContact O-N 2.76Å
39	G	53.9	Low	59.6	Low	56 Å²	56	141.8 Å²	141.8	58%	0.577	80%	0.802	S	S	*	*			trans	-66.2	87.7	-177.2	0	0	0	0	0	111.3	D37 E41	D37-G39 PolarHBondContact O-N 2.82Å; G39-E41 VanDerWaalsContact C-N 3.3Å; G39-E41 PolarHBondContact O-N 2.89Å
40	E	58.7	Low	62	Low	188 Å²	188	139.3 Å²	139.3	88%	0.879	80%	0.798	S	S	*	*			trans	-59.3	96.6	158.7	-71.9	-166.8	151.7	0	0	107.8	D38	D38-E40 VanDerWaalsContact C-N 3.33Å; D38-E40 PolarHBondContact O-N 2.76Å
41	E	63.5	Low	64.9	Low	173 Å²	173	141.5 Å²	141.5	81%	0.808	79%	0.792	S	S	*	*			trans	-51.3	126.2	173.7	-73	-168.4	149.3	0	0	108.7	G39 V43	G39-E41 VanDerWaalsContact C-N 3.3Å; G39-E41 PolarHBondContact O-N 2.89Å; E41-V43 PolarHBondContact O-N 3.09Å; E41-V43 VanDerWaalsContact O-N 3.09Å
42	P	64.8	Low	67.3	Low	110 Å²	110	138.7 Å²	138.7	71%	0.714	77%	0.766	S	S	*	*			trans	-60.4	122.5	-177.2	23.8	-33.2	0	0	0	108.8	V44	P42-V44 WeakPolarHBondContact O-CG2 3.37Å; P42-V44 PolarHBondContact O-N 3.09Å
43	V	70.8	Confident	70.3	Confident	112 Å²	112	131 Å²	131	68%	0.679	73%	0.733	S	S	*	*			trans	-61.6	95.8	-177.1	-179.8	0	0	0	0	109.7	E41 F45	E41-V43 PolarHBondContact O-N 3.09Å; E41-V43 VanDerWaalsContact O-N 3.09Å; V43-F45 HydrophobicContact CG1-CE1 4.15Å; V43-F45 HydrophobicContact CG1-CE2 4.23Å; V43-F45 HydrophobicContact CG1-CZ 3.96Å; V43-F45 WeakPolarHBondContact O-CD2 3.38Å; V43-F45 PolarHBondContact O-N 2.78Å; V43-F45 VanDerWaalsContact O-N 3.09Å
44	V	75.3	Confident	73	Confident	132 Å²	132	126.6 Å²	126.6	80%	0.8	70%	0.704	S	S	*	*			trans	-74.3	100.8	177	-176.3	0	0	0	0	108.1	P42	P42-V44 WeakPolarHBondContact O-CG2 3.37Å; P42-V44 PolarHBondContact O-N 3.09Å
45	F	79.4	Confident	75.6	Confident	165 Å²	165	118.9 Å²	118.9	72%	0.724	66%	0.662	S	S	*	*	P	Polyproline II helix	trans	-65.7	142.3	170.5	-64.2	-79.8	0	0	0	110.2	V43	V43-F45 HydrophobicContact CG1-CE1 4.15Å; V43-F45 HydrophobicContact CG1-CE2 4.23Å; V43-F45 HydrophobicContact CG1-CZ 3.96Å; V43-F45 WeakPolarHBondContact O-CD2 3.38Å; V43-F45 PolarHBondContact O-N 2.78Å; V43-F45 VanDerWaalsContact O-N 3.09Å
46	P	83.4	Confident	78.3	Confident	117 Å²	117	113.6 Å²	113.6	76%	0.76	63%	0.625	S	S	*	*	P	Polyproline II helix	trans	-61.7	152.3	173.5	27.6	-34.9	0	0	0	110.8	S48	P46-S48 PolarHBondContact O-N 2.93Å
47	E	88.8	Confident	80.7	Confident	196 Å²	196	104.8 Å²	104.8	92%	0.916	58%	0.584	S	S	*	*	P	Polyproline II helix	trans	-54.5	137.1	178.8	-65.9	-172.4	158.9	0	0	111.8
48	S	90.4	Very high	83.1	Confident	106 Å²	106	97.5 Å²	97.5	74%	0.741	55%	0.545	S	S	*	.	P	Polyproline II helix	trans	-68.5	146.8	-179.6	60	0	0	0	0	112	P46	P46-S48 PolarHBondContact O-N 2.93Å
49	P	90.2	Very high	85.4	Confident	122 Å²	122	90 Å²	90	79%	0.792	51%	0.506	S	S	*	.	P	Polyproline II helix	trans	-55.1	151.5	173.2	-25.3	34.4	0	0	0	113.6
50	L	92.6	Very high	87.4	Confident	171 Å²	171	88.5 Å²	88.5	90%	0.895	48%	0.484	S	S	*	.	P	Polyproline II helix	trans	-60.4	143.3	171.2	-66	177	0	0	0	111.2
51	Q	94.6	Very high	89.3	Confident	144 Å²	144	79.6 Å²	79.6	67%	0.673	44%	0.443	S	S	*	.	P	Polyproline II helix	trans	-67.8	145.8	170.9	-65.4	-171.1	-8.5	0	0	111
52	S	96.6	Very high	90.8	Very high	44 Å²	44	72.5 Å²	72.5	31%	0.308	41%	0.408	S	S	.	.	P	Polyproline II helix	trans	-53.8	143.4	171.1	-45.8	0	0	0	0	111	R84	S52-R84 VanDerWaalsContact O-CZ 3.22Å; S52-R84 PolarHBondContact O-NE 3.12Å; S52-R84 PolarHBondContact O-NH2 2.96Å
53	P	98	Very high	92.3	Very high	30 Å²	30	67.3 Å²	67.3	20%	0.195	38%	0.375	C	S	.	.	P	Polyproline II helix	trans	-52	154.5	174	-27.7	35.3	0	0	0	113.5	Y80 D161 Y162	P53-Y80 WeakPolarHBondContact CD-OH 3.27Å; P53-Y80 VanDerWaalsContact O-CE1 3.31Å; P53-Y80 WeakPolarHBondContact O-CE1 3.07Å; P53-Y80 PolarHBondContact O-OH 2.8Å; P53-D161 HydrophobicContact CB-CB 3.76Å; P53-Y162 HydrophobicContact CB-CD2 3.78Å; P53-Y162 HydrophobicContact CB-CE2 3.63Å; P53-Y162 HydrophobicContact CG-CE2 3.9Å
54	T	98.6	Very high	93.5	Very high	22 Å²	22	62.2 Å²	62.2	14%	0.135	34%	0.344	C	S	.	.	P	Polyproline II helix	trans	-77.7	140.2	171.8	52.4	0	0	0	0	111.3	R84 W159 S160 D161 Y162	T54-R84 WeakPolarHBondContact CA-O 3.47Å; T54-W159 PolarHBondContact OG1-O 2.73Å; T54-S160 WeakPolarHBondContact OG1-CA 3.47Å; T54-D161 PolarHBondContact N-OD2 3.45Å; T54-D161 WeakPolarHBondContact O-CB 3.49Å; T54-D161 PolarHBondContact O-N 2.83Å; T54-D161 VanDerWaalsContact O-N 3.17Å; T54-D161 PolarHBondContact OG1-N 2.97Å; T54-D161 PolarHBondContact OG1-OD2 3.12Å; T54-Y162 PolarHBondContact O-N 2.77Å
55	V	98.8	Very high	94.5	Very high	1 Å²	1	56.8 Å²	56.8	1%	0.006	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	121.2	-177.2	-173.9	0	0	0	0	110.3	Y80 R84 M85 A86 Y162 L164 L178 I182 L240	V55-Y80 HydrophobicContact CB-CE1 4.47Å; V55-Y80 HydrophobicContact CG2-CE1 3.68Å; V55-R84 PolarHBondContact N-O 2.88Å; V55-M85 CarbonylContact O-C 3.49Å; V55-M85 VanDerWaalsContact O-CA 3.27Å; V55-M85 WeakPolarHBondContact O-CA 3.35Å; V55-A86 PolarHBondContact O-N 3.32Å; V55-Y162 WeakPolarHBondContact CA-O 3.42Å; V55-L164 HydrophobicContact CG1-CB 4.3Å; V55-L178 HydrophobicContact CB-CD2 4.29Å; V55-L178 HydrophobicContact CG1-CD1 4.04Å; V55-L178 HydrophobicContact CG1-CD2 4.08Å; V55-L178 HydrophobicContact CG2-CD1 4.27Å; V55-L178 HydrophobicContact CG2-CD2 4.08Å; V55-L178 HydrophobicContact CG2-CG 4.47Å; V55-I182 HydrophobicContact CG2-CD1 4.27Å; V55-L240 HydrophobicContact CG1-CD1 4.37Å
56	L	98.9	Very high	95.3	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	127.4	166.9	-174.2	145.2	0	0	0	109.8	A58 A86 W88 T154 A155 Y162 I163 L164	L56-A58 HydrophobicContact CD2-CB 4.28Å; L56-A86 CarbonylContact C-O 3.59Å; L56-A86 WeakPolarHBondContact CA-O 3.39Å; L56-A86 HydrophobicContact CB-CB 4.24Å; L56-A86 HydrophobicContact CD1-CB 4.3Å; L56-A86 HydrophobicContact CG-CB 4.22Å; L56-W88 HydrophobicContact CD1-CB 4.25Å; L56-W88 HydrophobicContact CD2-CB 3.76Å; L56-W88 HydrophobicContact CG-CB 4.21Å; L56-T154 HydrophobicContact CD1-CG2 4.12Å; L56-A155 HydrophobicContact CB-CB 3.98Å; L56-A155 HydrophobicContact CD1-CB 4.05Å; L56-A155 HydrophobicContact CD2-CB 4.3Å; L56-A155 HydrophobicContact CG-CB 4.34Å; L56-Y162 PolarHBondContact N-O 2.85Å; L56-I163 HydrophobicContact CD2-CD1 3.73Å; L56-I163 HydrophobicContact CD2-CG1 3.83Å; L56-I163 CarbonylContact O-C 3.47Å; L56-I163 VanDerWaalsContact O-CA 3.27Å; L56-I163 WeakPolarHBondContact O-CA 3.35Å; L56-L164 PolarHBondContact O-N 3.08Å
57	V	98.8	Very high	96	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	117.4	173.8	-173	0	0	0	0	108.7	V59 L75 M85 A86 I87 W88 L164 I166	V57-V59 HydrophobicContact CG1-CG2 4.02Å; V57-L75 HydrophobicContact CG1-CD1 4.04Å; V57-L75 HydrophobicContact CG2-CD1 4.36Å; V57-M85 HydrophobicContact CG2-CE 3.57Å; V57-A86 PolarHBondContact N-O 3.45Å; V57-I87 HydrophobicContact CB-CD1 4Å; V57-I87 HydrophobicContact CG2-CD1 4.34Å; V57-W88 PolarHBondContact O-N 3.04Å; V57-L164 WeakPolarHBondContact CA-O 3.13Å; V57-L164 HydrophobicContact CG1-CD2 4.23Å; V57-L164 HydrophobicContact CG1-CG 4.49Å; V57-L164 HydrophobicContact CG2-CB 4.4Å; V57-L164 HydrophobicContact CG2-CD2 4.31Å; V57-I166 HydrophobicContact CG1-CG2 3.62Å
58	A	98.6	Very high	96.4	Very high	2 Å²	2	36 Å²	36	2%	0.017	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	111.9	177.5	0	0	0	0	0	110	L56 W88 A151 I163 L164 F165 I166	L56-A58 HydrophobicContact CD2-CB 4.28Å; A58-W88 WeakPolarHBondContact CA-O 3.46Å; A58-A151 HydrophobicContact CB-CB 3.75Å; A58-I163 HydrophobicContact CB-CD1 4.32Å; A58-L164 PolarHBondContact N-O 3Å; A58-F165 HydrophobicContact CB-CD1 3.69Å; A58-F165 HydrophobicContact CB-CE1 3.77Å; A58-F165 HydrophobicContact CB-CG 4.46Å; A58-I166 PolarHBondContact O-N 3.23Å
59	V	98.2	Very high	96.7	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	117.4	-177.6	-177.8	0	0	0	0	108.8	V57 F71 L75 W88 A89 A90 I166 V168	V57-V59 HydrophobicContact CG1-CG2 4.02Å; V59-F71 HydrophobicContact CG1-CE1 3.8Å; V59-F71 HydrophobicContact CG1-CZ 4.11Å; V59-F71 HydrophobicContact CG2-CE1 4.39Å; V59-F71 HydrophobicContact CG2-CZ 4.27Å; V59-L75 HydrophobicContact CG2-CD2 4.33Å; V59-W88 PolarHBondContact N-O 2.91Å; V59-A89 HydrophobicContact CB-CB 4.48Å; V59-A89 WeakPolarHBondContact O-CA 3.45Å; V59-A90 PolarHBondContact O-N 2.86Å; V59-I166 HydrophobicContact CG2-CG2 4.44Å; V59-V168 HydrophobicContact CG1-CG1 3.52Å
60	L	97.2	Very high	97.1	Very high	24 Å²	24	26.7 Å²	26.7	13%	0.126	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	120.9	176.9	-57.5	-176.3	0	0	0	109.2	W88 A90 V144 L147 R148 V168	L60-W88 HydrophobicContact CD2-CE3 4.39Å; L60-W88 HydrophobicContact CD2-CZ3 3.65Å; L60-A90 HydrophobicContact CD2-CB 4Å; L60-V144 HydrophobicContact CD1-CG1 4.13Å; L60-L147 HydrophobicContact CD1-CB 4.33Å; L60-L147 HydrophobicContact CD2-CB 3.89Å; L60-L147 HydrophobicContact CD2-CD1 4.13Å; L60-R148 HydrophobicContact CD1-CG 3.6Å; L60-V168 WeakPolarHBondContact O-CG1 3.45Å; L60-V168 WeakPolarHBondContact O-CG2 3.44Å
61	A	97.1	Very high	97.4	Very high	1 Å²	1	18.6 Å²	18.6	1%	0.008	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	123.3	-174.9	0	0	0	0	0	112.7	A90 T91 D92 T98 L102 V168	A61-A90 PolarHBondContact N-O 2.91Å; A61-T91 HydrophobicContact CB-CG2 4.27Å; A61-T91 VanDerWaalsContact O-CA 3.29Å; A61-T91 WeakPolarHBondContact O-CA 3.36Å; A61-D92 PolarHBondContact O-N 2.83Å; A61-T98 HydrophobicContact CB-CG2 3.51Å; A61-L102 HydrophobicContact CB-CD2 3.86Å; A61-V168 HydrophobicContact CB-CG1 4.01Å; A61-V168 HydrophobicContact CB-CG2 4.13Å
62	R	95.5	Very high	97.6	Very high	23 Å²	23	11.8 Å²	11.8	9%	0.087	7%	0.07	C	C	.	.	S	Bend	trans	-136.5	120.3	172	178.6	157.6	-157.2	-133.9	-7.6	110.5	A64 D92 H93 N94 E125 E130	R62-A64 VanDerWaalsContact C-N 3.27Å; R62-A64 PolarHBondContact O-N 3.44Å; R62-D92 HydrophobicContact CB-CB 4.24Å; R62-D92 WeakPolarHBondContact CB-O 3.47Å; R62-D92 WeakPolarHBondContact CD-O 3.47Å; R62-D92 WeakPolarHBondContact CD-OD2 3.5Å; R62-D92 WeakPolarHBondContact CG-O 3.33Å; R62-D92 PolarHBondContact NE-O 3.07Å; R62-D92 VanDerWaalsContact NE-O 3.12Å; R62-H93 PolarHBondContact NE-O 3.29Å; R62-H93 PolarHBondContact NH2-O 2.89Å; R62-N94 VanDerWaalsContact CA-OD1 3.28Å; R62-N94 WeakPolarHBondContact CA-OD1 3.4Å; R62-E125 PolarHBondContact NH2-O 2.91Å; R62-E130 IonicContact CZ-OE1 3.2Å; R62-E130 IonicContact CZ-OE2 3.83Å; R62-E130 IonicContact NH1-OE1 2.73Å; R62-E130 IonicContact NH1-OE2 3.42Å; R62-E130 PolarHBondContact NH1-OE2 3.1Å; R62-E130 IonicContact NH2-OE1 3.51Å; R62-E130 PolarHBondContact NH2-OE1 3.38Å; R62-E130 IonicContact NH2-OE2 3.92Å; R62-E130 PolarHBondContact NH2-OE2 2.88Å
63	N	96.2	Very high	97.6	Very high	2 Å²	2	9.7 Å²	9.7	1%	0.011	6%	0.055	C	C	.	.	S	Bend	trans	49.4	46.5	178.4	-59.4	-40.9	0	0	0	113.6	H66 N94 V95 D96 L302	N63-H66 PolarHBondContact O-CE1 2.83Å; N63-N94 PolarHBondContact N-OD1 2.7Å; N63-N94 WeakPolarHBondContact OD1-CA 3.38Å; N63-V95 WeakPolarHBondContact OD1-CG2 3.43Å; N63-V95 PolarHBondContact OD1-N 3.42Å; N63-D96 WeakPolarHBondContact CA-OD1 3.46Å; N63-D96 WeakPolarHBondContact CA-OD2 3.41Å; N63-L302 HydrophobicContact CB-CD1 3.94Å; N63-L302 HydrophobicContact CB-CD2 3.6Å; N63-L302 HydrophobicContact CB-CG 4.44Å
64	A	96.6	Very high	97.7	Very high	5 Å²	5	8.4 Å²	8.4	4%	0.041	5%	0.047	C	C	.	.			trans	-118.3	18.3	-169.4	0	0	0	0	0	112.7	R62 H66 T67 L68 D96 T98 V168	R62-A64 VanDerWaalsContact C-N 3.27Å; R62-A64 PolarHBondContact O-N 3.44Å; A64-H66 PolarHBondContact O-N 2.96Å; A64-T67 PolarHBondContact O-N 3.23Å; A64-T67 PolarHBondContact O-OG1 3.04Å; A64-L68 HydrophobicContact CB-CG 4.4Å; A64-L68 WeakPolarHBondContact O-CG 3.34Å; A64-L68 PolarHBondContact O-N 3.22Å; A64-D96 PolarHBondContact N-OD2 2.78Å; A64-T98 HydrophobicContact CB-CG2 4.43Å; A64-T98 PolarHBondContact N-OG1 3.48Å; A64-V168 HydrophobicContact CB-CB 4.4Å; A64-V168 HydrophobicContact CB-CG2 3.43Å; A64-V168 VanDerWaalsContact CB-CG2 3.43Å
65	A	96.9	Very high	97.6	Very high	18 Å²	18	7.5 Å²	7.5	15%	0.149	4%	0.041	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-30.7	-176.6	0	0	0	0	0	112.5	P69 D96 N97 T98 I101	A65-P69 WeakPolarHBondContact O-CD 3.3Å; A65-D96 HydrophobicContact CB-CB 4.2Å; A65-D96 WeakPolarHBondContact CB-OD2 3.33Å; A65-D96 PolarHBondContact N-OD2 3.49Å; A65-N97 HydrophobicContact CB-CB 4.22Å; A65-T98 PolarHBondContact N-OG1 3.09Å; A65-I101 HydrophobicContact CB-CD1 3.78Å; A65-I101 WeakPolarHBondContact O-CD1 3.37Å
66	H	95.9	Very high	97.6	Very high	33 Å²	33	9 Å²	9	15%	0.153	5%	0.048	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-35.5	177.9	63.1	-77.6	0	0	0	113.6	N63 A64 D305 I306 L309	N63-H66 PolarHBondContact O-CE1 2.83Å; A64-H66 PolarHBondContact O-N 2.96Å; H66-D305 IonicContact CE1-OD2 3.64Å; H66-D305 PolarHBondContact CE1-OD2 2.87Å; H66-D305 VanDerWaalsContact CE1-OD2 3.25Å; H66-D305 IonicContact NE2-OD2 3.6Å; H66-D305 PolarHBondContact NE2-OD2 3.43Å; H66-I306 HydrophobicContact CB-CD1 4.45Å; H66-I306 HydrophobicContact CB-CG1 3.62Å; H66-L309 VanDerWaalsContact C-CD2 3.49Å; H66-L309 HydrophobicContact CB-CD2 4.29Å; H66-L309 WeakPolarHBondContact O-CD2 3.25Å
67	T	96.6	Very high	97.5	Very high	7 Å²	7	13.6 Å²	13.6	4%	0.043	7%	0.065	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-35.9	179	72.5	0	0	0	0	112.5	A64 H70 F71 V168 D169 F171 L309	A64-T67 PolarHBondContact O-N 3.23Å; A64-T67 PolarHBondContact O-OG1 3.04Å; T67-H70 PolarHBondContact O-N 3.46Å; T67-H70 VanDerWaalsContact O-N 3.09Å; T67-F71 WeakPolarHBondContact O-CB 3.45Å; T67-F71 PolarHBondContact O-N 3Å; T67-V168 VanDerWaalsContact CB-O 3.3Å; T67-V168 WeakPolarHBondContact CB-O 3.36Å; T67-V168 PolarHBondContact OG1-O 3.18Å; T67-D169 HydrophobicContact CG2-CB 4.3Å; T67-F171 HydrophobicContact CG2-CZ 4.31Å; T67-L309 HydrophobicContact CG2-CD1 4.47Å; T67-L309 HydrophobicContact CG2-CD2 4.13Å
68	L	97.9	Very high	97.5	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-49.4	-48	-170.4	-85.7	178	0	0	0	114.1	A64 H70 F71 L72 T98 I101 L102 V168	A64-L68 HydrophobicContact CB-CG 4.4Å; A64-L68 WeakPolarHBondContact O-CG 3.34Å; A64-L68 PolarHBondContact O-N 3.22Å; L68-H70 VanDerWaalsContact C-N 3.32Å; L68-H70 PolarHBondContact O-N 2.86Å; L68-F71 HydrophobicContact CD2-CD1 4.16Å; L68-F71 PolarHBondContact O-N 3.38Å; L68-L72 HydrophobicContact CB-CD1 4.23Å; L68-L72 HydrophobicContact CD2-CD1 4.17Å; L68-L72 HydrophobicContact CD2-CD2 4.48Å; L68-L72 HydrophobicContact CD2-CG 4.22Å; L68-L72 VanDerWaalsContact O-CB 3.24Å; L68-L72 WeakPolarHBondContact O-CB 3.32Å; L68-L72 WeakPolarHBondContact O-CD1 3.27Å; L68-L72 WeakPolarHBondContact O-CG 3.34Å; L68-L72 PolarHBondContact O-N 3.33Å; L68-T98 HydrophobicContact CD1-CG2 3.94Å; L68-T98 WeakPolarHBondContact CD1-O 3.49Å; L68-I101 HydrophobicContact CB-CG2 3.84Å; L68-I101 HydrophobicContact CD1-CB 4.07Å; L68-I101 HydrophobicContact CD1-CG2 3.98Å; L68-L102 HydrophobicContact CD1-CB 4.03Å; L68-L102 HydrophobicContact CD2-CD1 4.35Å; L68-V168 HydrophobicContact CD2-CB 4.38Å; L68-V168 HydrophobicContact CD2-CG1 4.15Å
69	P	97.9	Very high	97.4	Very high	13 Å²	13	18.3 Å²	18.3	8%	0.084	9%	0.09	C	C	.	.	H	α-helix	trans	-56	-44.8	-179.4	-26.7	35.3	0	0	0	113.2	A65 G73 P325 S326 V329 L331	A65-P69 WeakPolarHBondContact O-CD 3.3Å; P69-G73 PolarHBondContact O-N 2.86Å; P69-G73 VanDerWaalsContact O-N 3.16Å; P69-P325 HydrophobicContact CB-CB 4.09Å; P69-P325 CarbonylContact O-C 3.59Å; P69-P325 WeakPolarHBondContact O-CA 3.45Å; P69-S326 PolarHBondContact O-N 3.04Å; P69-V329 HydrophobicContact CB-CG2 4.01Å; P69-V329 HydrophobicContact CG-CG2 4.3Å; P69-L331 HydrophobicContact CB-CD2 3.66Å; P69-L331 HydrophobicContact CG-CD2 4.14Å
70	H	97.6	Very high	97.4	Very high	20 Å²	20	18.8 Å²	18.8	9%	0.093	9%	0.092	C	C	.	.	H	α-helix	trans	-76.7	-38.8	-178.4	-59	106.5	0	0	0	112.2	T67 L68 G73 C74 F171 Q313 M323	T67-H70 PolarHBondContact O-N 3.46Å; T67-H70 VanDerWaalsContact O-N 3.09Å; L68-H70 VanDerWaalsContact C-N 3.32Å; L68-H70 PolarHBondContact O-N 2.86Å; H70-G73 PolarHBondContact O-N 2.99Å; H70-C74 PolarHBondContact O-N 3.42Å; H70-C74 VanDerWaalsContact O-N 3.08Å; H70-C74 PolarHBondContact O-SG 2.61Å; H70-C74 VanDerWaalsContact O-SG 3.38Å; H70-F171 HydrophobicContact CB-CD1 4.21Å; H70-F171 HydrophobicContact CB-CE1 3.88Å; H70-Q313 PolarHBondContact CD2-NE2 3.28Å; H70-Q313 VanDerWaalsContact CD2-NE2 3.34Å; H70-Q313 PolarHBondContact CE1-NE2 3.32Å; H70-Q313 PolarHBondContact ND1-NE2 2.84Å; H70-Q313 PolarHBondContact NE2-NE2 3.11Å; H70-Q313 VanDerWaalsContact NE2-NE2 3.17Å; H70-M323 PolarHBondContact CD2-O 2.71Å; H70-M323 VanDerWaalsContact CD2-O 3.22Å
71	F	98.4	Very high	97.5	Very high	2 Å²	2	20.1 Å²	20.1	1%	0.009	10%	0.102	C	C	.	.	H	α-helix	trans	-59.4	-51.2	174.2	166.6	-97.8	0	0	0	111.9	V59 T67 L68 G73 C74 L75 I166 V168 N170 F171	V59-F71 HydrophobicContact CG1-CE1 3.8Å; V59-F71 HydrophobicContact CG1-CZ 4.11Å; V59-F71 HydrophobicContact CG2-CE1 4.39Å; V59-F71 HydrophobicContact CG2-CZ 4.27Å; T67-F71 WeakPolarHBondContact O-CB 3.45Å; T67-F71 PolarHBondContact O-N 3Å; L68-F71 HydrophobicContact CD2-CD1 4.16Å; L68-F71 PolarHBondContact O-N 3.38Å; F71-G73 VanDerWaalsContact C-N 3.32Å; F71-G73 PolarHBondContact O-N 3.28Å; F71-C74 WeakPolarHBondContact O-CB 3.45Å; F71-C74 PolarHBondContact O-N 3.37Å; F71-C74 VanDerWaalsContact O-N 3.12Å; F71-L75 HydrophobicContact CE1-CD2 4.41Å; F71-L75 PolarHBondContact O-N 3.31Å; F71-I166 HydrophobicContact CE2-CD1 3.61Å; F71-I166 HydrophobicContact CE2-CG1 3.81Å; F71-I166 HydrophobicContact CE2-CG2 4.28Å; F71-I166 HydrophobicContact CZ-CD1 4.26Å; F71-I166 HydrophobicContact CZ-CG1 4.42Å; F71-I166 HydrophobicContact CZ-CG2 4.02Å; F71-V168 WeakPolarHBondContact CB-O 3.36Å; F71-V168 HydrophobicContact CD1-CB 4.27Å; F71-V168 HydrophobicContact CD1-CG1 4.06Å; F71-V168 HydrophobicContact CD2-CB 4.5Å; F71-V168 HydrophobicContact CE1-CB 4.43Å; F71-V168 HydrophobicContact CE1-CG1 3.8Å; F71-V168 HydrophobicContact CE2-CG1 4.49Å; F71-V168 HydrophobicContact CG-CB 4.32Å; F71-V168 HydrophobicContact CZ-CG1 4.03Å; F71-N170 WeakPolarHBondContact CD2-O 3.46Å; F71-F171 HydrophobicContact CB-CD1 4.29Å; F71-F171 HydrophobicContact CB-CE1 3.97Å
72	L	98.6	Very high	97.5	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-65.1	-37.1	-179.5	-65.5	171.1	0	0	0	111.4	L68 C74 L75 E76 L102 W105 V329	L68-L72 HydrophobicContact CB-CD1 4.23Å; L68-L72 HydrophobicContact CD2-CD1 4.17Å; L68-L72 HydrophobicContact CD2-CD2 4.48Å; L68-L72 HydrophobicContact CD2-CG 4.22Å; L68-L72 VanDerWaalsContact O-CB 3.24Å; L68-L72 WeakPolarHBondContact O-CB 3.32Å; L68-L72 WeakPolarHBondContact O-CD1 3.27Å; L68-L72 WeakPolarHBondContact O-CG 3.34Å; L68-L72 PolarHBondContact O-N 3.33Å; L72-C74 VanDerWaalsContact C-N 3.35Å; L72-C74 PolarHBondContact O-N 3.14Å; L72-L75 PolarHBondContact O-N 3.45Å; L72-E76 WeakPolarHBondContact O-CB 3.43Å; L72-E76 WeakPolarHBondContact O-CG 3.41Å; L72-E76 PolarHBondContact O-N 3.03Å; L72-L102 HydrophobicContact CD2-CD1 4.14Å; L72-W105 HydrophobicContact CB-CG 4.43Å; L72-W105 HydrophobicContact CD1-CB 3.77Å; L72-W105 HydrophobicContact CD1-CD2 4.1Å; L72-W105 HydrophobicContact CD1-CG 3.64Å; L72-W105 HydrophobicContact CD2-CD2 3.66Å; L72-W105 HydrophobicContact CD2-CE3 3.77Å; L72-W105 HydrophobicContact CD2-CG 4.14Å; L72-W105 HydrophobicContact CD2-CH2 4.17Å; L72-W105 HydrophobicContact CD2-CZ2 4.05Å; L72-W105 HydrophobicContact CD2-CZ3 4.02Å; L72-W105 HydrophobicContact CG-CD2 4.28Å; L72-W105 HydrophobicContact CG-CG 4.27Å; L72-V329 HydrophobicContact CD1-CG1 4.02Å
73	G	98.2	Very high	97.6	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-58.7	-43	171	0	0	0	0	0	112.7	P69 H70 F71 E76 R77	P69-G73 PolarHBondContact O-N 2.86Å; P69-G73 VanDerWaalsContact O-N 3.16Å; H70-G73 PolarHBondContact O-N 2.99Å; F71-G73 VanDerWaalsContact C-N 3.32Å; F71-G73 PolarHBondContact O-N 3.28Å; G73-E76 PolarHBondContact O-N 2.87Å; G73-R77 VanDerWaalsContact C-NH1 3.32Å; G73-R77 VanDerWaalsContact C-NH2 3.27Å; G73-R77 WeakPolarHBondContact O-CG 3.26Å; G73-R77 PolarHBondContact O-N 3.22Å; G73-R77 VanDerWaalsContact O-N 3.1Å; G73-R77 PolarHBondContact O-NE 2.67Å; G73-R77 PolarHBondContact O-NH1 2.71Å; G73-R77 VanDerWaalsContact O-NH1 3.15Å; G73-R77 PolarHBondContact O-NH2 2.9Å
74	C	98.3	Very high	97.7	Very high	3 Å²	3	27.5 Å²	27.5	2%	0.02	14%	0.143	C	C	.	.	H	α-helix	trans	-64.5	-44.1	174.9	-70.1	0	0	0	0	112	H70 F71 L72 E76 R77 L78 L172	H70-C74 PolarHBondContact O-N 3.42Å; H70-C74 VanDerWaalsContact O-N 3.08Å; H70-C74 PolarHBondContact O-SG 2.61Å; H70-C74 VanDerWaalsContact O-SG 3.38Å; F71-C74 WeakPolarHBondContact O-CB 3.45Å; F71-C74 PolarHBondContact O-N 3.37Å; F71-C74 VanDerWaalsContact O-N 3.12Å; L72-C74 VanDerWaalsContact C-N 3.35Å; L72-C74 PolarHBondContact O-N 3.14Å; C74-E76 PolarHBondContact O-N 2.72Å; C74-R77 PolarHBondContact O-N 2.74Å; C74-R77 VanDerWaalsContact O-N 3.12Å; C74-R77 PolarHBondContact SG-NH2 2.96Å; C74-L78 PolarHBondContact O-N 3.02Å; C74-L78 VanDerWaalsContact O-N 3.17Å; C74-L172 WeakPolarHBondContact CB-O 3.28Å
75	L	98.1	Very high	97.8	Very high	4 Å²	4	27.2 Å²	27.2	2%	0.021	14%	0.141	C	C	.	.	H	α-helix	trans	-61.6	-40.1	176.7	-179.7	59	0	0	0	112.8	V57 V59 F71 L72 R77 L78 K82 M85 I87 W105	V57-L75 HydrophobicContact CG1-CD1 4.04Å; V57-L75 HydrophobicContact CG2-CD1 4.36Å; V59-L75 HydrophobicContact CG2-CD2 4.33Å; F71-L75 HydrophobicContact CE1-CD2 4.41Å; F71-L75 PolarHBondContact O-N 3.31Å; L72-L75 PolarHBondContact O-N 3.45Å; L75-R77 VanDerWaalsContact C-N 3.34Å; L75-L78 HydrophobicContact CD1-CD1 3.96Å; L75-L78 PolarHBondContact O-N 3.17Å; L75-K82 PolarHBondContact O-NZ 3.43Å; L75-M85 HydrophobicContact CD1-CE 4.2Å; L75-I87 HydrophobicContact CD2-CD1 4.28Å; L75-W105 HydrophobicContact CD2-CH2 3.69Å; L75-W105 HydrophobicContact CD2-CZ2 4.15Å; L75-W105 HydrophobicContact CG-CH2 4.45Å
76	E	97.4	Very high	97.8	Very high	32 Å²	32	26.6 Å²	26.6	15%	0.15	14%	0.135	C	C	.	.	H	α-helix	trans	-61.1	-40.8	172.1	-77.5	164.3	-140.1	0	0	112.4	L72 G73 C74 L78 K82 W105 S326 Y328	L72-E76 WeakPolarHBondContact O-CB 3.43Å; L72-E76 WeakPolarHBondContact O-CG 3.41Å; L72-E76 PolarHBondContact O-N 3.03Å; G73-E76 PolarHBondContact O-N 2.87Å; C74-E76 PolarHBondContact O-N 2.72Å; E76-L78 VanDerWaalsContact C-N 3.35Å; E76-L78 PolarHBondContact O-N 3.36Å; E76-K82 WeakPolarHBondContact O-CE 3.44Å; E76-K82 PolarHBondContact O-NZ 2.83Å; E76-W105 HydrophobicContact CG-CZ2 4.36Å; E76-W105 PolarHBondContact OE1-NE1 2.78Å; E76-S326 WeakPolarHBondContact OE1-CB 3.31Å; E76-S326 PolarHBondContact OE1-OG 3.06Å; E76-Y328 VanDerWaalsContact CD-CD2 3.46Å; E76-Y328 HydrophobicContact CG-CD2 4.26Å; E76-Y328 HydrophobicContact CG-CE2 4.3Å; E76-Y328 WeakPolarHBondContact OE1-CD2 3.34Å; E76-Y328 WeakPolarHBondContact OE2-CD2 3.29Å
77	R	97.5	Very high	98	Very high	96 Å²	96	25 Å²	25	36%	0.362	13%	0.128	S	C	.	.	H	α-helix	trans	-80.8	-6.5	-176.8	-72	-176.5	-62	-90.5	4	114.9	G73 C74 L75 D79 P175 E324	G73-R77 VanDerWaalsContact C-NH1 3.32Å; G73-R77 VanDerWaalsContact C-NH2 3.27Å; G73-R77 WeakPolarHBondContact O-CG 3.26Å; G73-R77 PolarHBondContact O-N 3.22Å; G73-R77 VanDerWaalsContact O-N 3.1Å; G73-R77 PolarHBondContact O-NE 2.67Å; G73-R77 PolarHBondContact O-NH1 2.71Å; G73-R77 VanDerWaalsContact O-NH1 3.15Å; G73-R77 PolarHBondContact O-NH2 2.9Å; C74-R77 PolarHBondContact O-N 2.74Å; C74-R77 VanDerWaalsContact O-N 3.12Å; C74-R77 PolarHBondContact SG-NH2 2.96Å; L75-R77 VanDerWaalsContact C-N 3.34Å; R77-D79 PolarHBondContact O-N 2.6Å; R77-P175 WeakPolarHBondContact O-CB 3.31Å; R77-E324 PolarHBondContact NH1-O 2.73Å; R77-E324 PolarHBondContact NH2-O 2.83Å
78	L	98.2	Very high	98.1	Very high	4 Å²	4	24.7 Å²	24.7	2%	0.021	13%	0.126	C	C	.	.	S	Bend	trans	-55.1	123.9	168.9	-66.8	-175.7	0	0	0	110.3	C74 L75 E76 Y80 K82 M85 L172 P175	C74-L78 PolarHBondContact O-N 3.02Å; C74-L78 VanDerWaalsContact O-N 3.17Å; L75-L78 HydrophobicContact CD1-CD1 3.96Å; L75-L78 PolarHBondContact O-N 3.17Å; E76-L78 VanDerWaalsContact C-N 3.35Å; E76-L78 PolarHBondContact O-N 3.36Å; L78-Y80 PolarHBondContact O-N 2.75Å; L78-K82 PolarHBondContact O-NZ 2.89Å; L78-M85 HydrophobicContact CD1-CE 4.45Å; L78-L172 HydrophobicContact CD1-CD1 4.34Å; L78-L172 HydrophobicContact CD2-CB 4.07Å; L78-L172 HydrophobicContact CD2-CD1 4.22Å; L78-P175 WeakPolarHBondContact CA-O 3.48Å
79	D	98.1	Very high	98.1	Very high	97 Å²	97	24.7 Å²	24.7	52%	0.519	13%	0.126	S	C	.	.	S	Bend	trans	-79.4	73.7	-178.5	-174.2	25.9	0	0	0	110	R77 P175 Q176 N179	R77-D79 PolarHBondContact O-N 2.6Å; D79-P175 HydrophobicContact CB-CB 4.03Å; D79-P175 PolarHBondContact N-O 3.41Å; D79-Q176 PolarHBondContact OD2-NE2 3.04Å; D79-N179 PolarHBondContact O-ND2 3.06Å
80	Y	98.3	Very high	98.1	Very high	10 Å²	10	24.1 Å²	24.1	4%	0.039	12%	0.122	C	C	.	.	S	Bend	trans	-144.8	139.9	-179	-152.2	-94.3	0	0	0	109.1	P53 V55 L78 K82 R84 M85 L178 N179 I182	P53-Y80 WeakPolarHBondContact CD-OH 3.27Å; P53-Y80 VanDerWaalsContact O-CE1 3.31Å; P53-Y80 WeakPolarHBondContact O-CE1 3.07Å; P53-Y80 PolarHBondContact O-OH 2.8Å; V55-Y80 HydrophobicContact CB-CE1 4.47Å; V55-Y80 HydrophobicContact CG2-CE1 3.68Å; L78-Y80 PolarHBondContact O-N 2.75Å; Y80-K82 PolarHBondContact O-N 2.88Å; Y80-R84 HydrophobicContact CE1-CB 4.23Å; Y80-M85 HydrophobicContact CD1-CG 3.67Å; Y80-M85 HydrophobicContact CD1-SD 4.18Å; Y80-M85 HydrophobicContact CE1-CG 4.43Å; Y80-M85 HydrophobicContact CG-SD 4.5Å; Y80-L178 HydrophobicContact CD1-CD2 3.88Å; Y80-L178 HydrophobicContact CD2-CB 4.25Å; Y80-L178 HydrophobicContact CD2-CD2 3.7Å; Y80-L178 HydrophobicContact CD2-CG 3.8Å; Y80-L178 HydrophobicContact CE1-CD2 4.29Å; Y80-L178 HydrophobicContact CE2-CD2 4.13Å; Y80-L178 HydrophobicContact CE2-CG 4.01Å; Y80-L178 HydrophobicContact CG-CD2 3.55Å; Y80-L178 HydrophobicContact CG-CG 4.2Å; Y80-N179 WeakPolarHBondContact CD2-OD1 3.38Å; Y80-N179 WeakPolarHBondContact CE2-OD1 3.48Å; Y80-I182 HydrophobicContact CE2-CD1 3.67Å; Y80-I182 WeakPolarHBondContact OH-CD1 3.41Å
81	P	97.8	Very high	98	Very high	52 Å²	52	23.2 Å²	23.2	34%	0.338	12%	0.118	S	C	.	.			trans	-59.7	114.2	-178.8	-24	33.9	0	0	0	111	S83 R84 M85	P81-S83 PolarHBondContact O-N 2.79Å; P81-R84 HydrophobicContact CB-CB 4.2Å; P81-R84 HydrophobicContact CB-CG 3.89Å; P81-R84 HydrophobicContact CG-CG 4.49Å; P81-R84 WeakPolarHBondContact O-CA 3.33Å; P81-R84 WeakPolarHBondContact O-CB 3.38Å; P81-R84 PolarHBondContact O-N 2.95Å; P81-M85 PolarHBondContact O-N 3.43Å
82	K	97.7	Very high	97.8	Very high	42 Å²	42	23.4 Å²	23.4	18%	0.183	12%	0.12	C	C	.	.	G	3₁₀ helix	trans	-61.5	-30.9	-178.5	-52.9	-51.1	-175.5	-170.2	0	111.7	L75 E76 L78 Y80 R84 M85 L112 Y113 H114	L75-K82 PolarHBondContact O-NZ 3.43Å; E76-K82 WeakPolarHBondContact O-CE 3.44Å; E76-K82 PolarHBondContact O-NZ 2.83Å; L78-K82 PolarHBondContact O-NZ 2.89Å; Y80-K82 PolarHBondContact O-N 2.88Å; K82-R84 PolarHBondContact O-N 3.1Å; K82-R84 VanDerWaalsContact O-N 3.1Å; K82-M85 HydrophobicContact CD-SD 3.66Å; K82-M85 PolarHBondContact O-N 3.33Å; K82-M85 VanDerWaalsContact O-O 3.07Å; K82-L112 CarbonylContact C-O 3.15Å; K82-L112 HydrophobicContact CB-CB 4.41Å; K82-L112 WeakPolarHBondContact CB-O 3.42Å; K82-Y113 HydrophobicContact CB-CD1 4.27Å; K82-Y113 HydrophobicContact CB-CE1 4.28Å; K82-Y113 HydrophobicContact CD-CE1 3.83Å; K82-Y113 HydrophobicContact CG-CE1 4.44Å; K82-Y113 WeakPolarHBondContact O-CA 3.48Å; K82-H114 PolarHBondContact O-N 2.51Å
83	S	97.4	Very high	97.6	Very high	77 Å²	77	23.9 Å²	23.9	54%	0.538	12%	0.122	S	C	.	.	G	3₁₀ helix	trans	-64.3	-7.1	170	56.8	0	0	0	0	115.3	P81 L112 H114	P81-S83 PolarHBondContact O-N 2.79Å; S83-L112 PolarHBondContact N-O 2.75Å; S83-H114 WeakPolarHBondContact O-CB 3.11Å
84	R	97.9	Very high	97.4	Very high	62 Å²	62	24.3 Å²	24.3	23%	0.234	12%	0.124	C	C	.	.	G	3₁₀ helix	trans	-112.9	2.1	171.2	-57	-68.8	-71.2	171.5	-0	112.2	S52 T54 V55 Y80 P81 K82	S52-R84 VanDerWaalsContact O-CZ 3.22Å; S52-R84 PolarHBondContact O-NE 3.12Å; S52-R84 PolarHBondContact O-NH2 2.96Å; T54-R84 WeakPolarHBondContact CA-O 3.47Å; V55-R84 PolarHBondContact N-O 2.88Å; Y80-R84 HydrophobicContact CE1-CB 4.23Å; P81-R84 HydrophobicContact CB-CB 4.2Å; P81-R84 HydrophobicContact CB-CG 3.89Å; P81-R84 HydrophobicContact CG-CG 4.49Å; P81-R84 WeakPolarHBondContact O-CA 3.33Å; P81-R84 WeakPolarHBondContact O-CB 3.38Å; P81-R84 PolarHBondContact O-N 2.95Å; K82-R84 PolarHBondContact O-N 3.1Å; K82-R84 VanDerWaalsContact O-N 3.1Å
85	M	98.5	Very high	97.3	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	130.2	176.5	-64.2	179.5	75.2	0	0	110.7	V55 V57 L75 L78 Y80 P81 K82 Y113 H114 L178	V55-M85 CarbonylContact O-C 3.49Å; V55-M85 VanDerWaalsContact O-CA 3.27Å; V55-M85 WeakPolarHBondContact O-CA 3.35Å; V57-M85 HydrophobicContact CG2-CE 3.57Å; L75-M85 HydrophobicContact CD1-CE 4.2Å; L78-M85 HydrophobicContact CD1-CE 4.45Å; Y80-M85 HydrophobicContact CD1-CG 3.67Å; Y80-M85 HydrophobicContact CD1-SD 4.18Å; Y80-M85 HydrophobicContact CE1-CG 4.43Å; Y80-M85 HydrophobicContact CG-SD 4.5Å; P81-M85 PolarHBondContact O-N 3.43Å; K82-M85 HydrophobicContact CD-SD 3.66Å; K82-M85 PolarHBondContact O-N 3.33Å; K82-M85 VanDerWaalsContact O-O 3.07Å; M85-Y113 HydrophobicContact CB-CD1 3.66Å; M85-Y113 HydrophobicContact CB-CE1 3.88Å; M85-Y113 HydrophobicContact CE-CE1 4.29Å; M85-Y113 HydrophobicContact SD-CE1 4.11Å; M85-H114 WeakPolarHBondContact O-CB 3.24Å; M85-H114 PolarHBondContact O-N 2.75Å; M85-L178 HydrophobicContact CE-CD2 4.34Å
86	A	98.4	Very high	97.2	Very high	4 Å²	4	29.6 Å²	29.6	3%	0.033	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	143.8	165.6	0	0	0	0	0	109.7	V55 L56 V57 Y115	V55-A86 PolarHBondContact O-N 3.32Å; L56-A86 CarbonylContact C-O 3.59Å; L56-A86 WeakPolarHBondContact CA-O 3.39Å; L56-A86 HydrophobicContact CB-CB 4.24Å; L56-A86 HydrophobicContact CD1-CB 4.3Å; L56-A86 HydrophobicContact CG-CB 4.22Å; V57-A86 PolarHBondContact N-O 3.45Å; A86-Y115 CarbonylContact C-O 3.53Å; A86-Y115 WeakPolarHBondContact CA-O 3.5Å; A86-Y115 HydrophobicContact CB-CD1 4.27Å
87	I	98.6	Very high	97.1	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	130.4	171.4	-58	-56.7	0	0	0	109	V57 L75 A89 W105 L106 Y113 Y115 V116 E117	V57-I87 HydrophobicContact CB-CD1 4Å; V57-I87 HydrophobicContact CG2-CD1 4.34Å; L75-I87 HydrophobicContact CD2-CD1 4.28Å; I87-A89 HydrophobicContact CG2-CB 4.17Å; I87-W105 HydrophobicContact CD1-CH2 4.24Å; I87-W105 HydrophobicContact CG1-CH2 4.23Å; I87-W105 HydrophobicContact CG1-CZ3 4.4Å; I87-W105 HydrophobicContact CG2-CZ3 4.15Å; I87-L106 HydrophobicContact CG2-CD2 3.85Å; I87-Y113 HydrophobicContact CD1-CD1 3.81Å; I87-Y113 HydrophobicContact CD1-CE1 3.63Å; I87-Y113 HydrophobicContact CD1-CG 4.4Å; I87-Y113 HydrophobicContact CG1-CD1 3.64Å; I87-Y113 HydrophobicContact CG1-CD2 4.11Å; I87-Y113 HydrophobicContact CG1-CE1 3.92Å; I87-Y113 HydrophobicContact CG1-CE2 4.34Å; I87-Y113 HydrophobicContact CG1-CG 3.76Å; I87-Y115 PolarHBondContact N-O 3.44Å; I87-V116 HydrophobicContact CB-CG2 4.29Å; I87-V116 CarbonylContact O-C 3.56Å; I87-V116 WeakPolarHBondContact O-CA 3.47Å; I87-E117 PolarHBondContact O-N 3.44Å
88	W	98.6	Very high	97.1	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	109.4	167.7	-167.6	95.2	0	0	0	107.7	L56 V57 A58 V59 L60 A90 E117 R119 L147 A150 A151 T154	L56-W88 HydrophobicContact CD1-CB 4.25Å; L56-W88 HydrophobicContact CD2-CB 3.76Å; L56-W88 HydrophobicContact CG-CB 4.21Å; V57-W88 PolarHBondContact O-N 3.04Å; A58-W88 WeakPolarHBondContact CA-O 3.46Å; V59-W88 PolarHBondContact N-O 2.91Å; L60-W88 HydrophobicContact CD2-CE3 4.39Å; L60-W88 HydrophobicContact CD2-CZ3 3.65Å; W88-A90 HydrophobicContact CE3-CB 4.39Å; W88-A90 HydrophobicContact CH2-CB 4.02Å; W88-A90 HydrophobicContact CZ3-CB 3.61Å; W88-E117 VanDerWaalsContact CD1-CD 3.46Å; W88-E117 HydrophobicContact CG-CB 4.42Å; W88-E117 VanDerWaalsContact NE1-CD 3.28Å; W88-E117 PolarHBondContact NE1-OE1 3.16Å; W88-R119 VanDerWaalsContact CZ2-CD 3.47Å; W88-L147 HydrophobicContact CH2-CB 4.26Å; W88-L147 HydrophobicContact CH2-CD2 4.15Å; W88-L147 WeakPolarHBondContact CH2-O 3.42Å; W88-A150 HydrophobicContact CH2-CB 4.16Å; W88-A150 HydrophobicContact CZ2-CB 3.74Å; W88-A151 HydrophobicContact CD2-CB 3.7Å; W88-A151 HydrophobicContact CE3-CB 3.69Å; W88-A151 HydrophobicContact CG-CB 4.21Å; W88-A151 HydrophobicContact CH2-CB 4.32Å; W88-A151 HydrophobicContact CZ2-CB 4.33Å; W88-A151 HydrophobicContact CZ3-CB 4.03Å; W88-T154 PolarHBondContact NE1-OG1 3Å
89	A	98.3	Very high	97.1	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	130.9	-173.9	0	0	0	0	0	110.9	V59 I87 L102 L106 E117 W118 R119	V59-A89 HydrophobicContact CB-CB 4.48Å; V59-A89 WeakPolarHBondContact O-CA 3.45Å; I87-A89 HydrophobicContact CG2-CB 4.17Å; A89-L102 HydrophobicContact CB-CD2 4.34Å; A89-L106 HydrophobicContact CB-CD1 3.83Å; A89-L106 HydrophobicContact CB-CD2 4.05Å; A89-E117 PolarHBondContact N-O 2.83Å; A89-W118 HydrophobicContact CB-CE3 3.83Å; A89-W118 HydrophobicContact CB-CZ3 4.1Å; A89-W118 CarbonylContact O-C 3.6Å; A89-W118 WeakPolarHBondContact O-CA 3.43Å; A89-R119 PolarHBondContact O-N 2.86Å
90	A	97.9	Very high	97	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.008	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	146.7	173.3	0	0	0	0	0	111.5	V59 L60 A61 W88 R119 L147	V59-A90 PolarHBondContact O-N 2.86Å; L60-A90 HydrophobicContact CD2-CB 4Å; A61-A90 PolarHBondContact N-O 2.91Å; W88-A90 HydrophobicContact CE3-CB 4.39Å; W88-A90 HydrophobicContact CH2-CB 4.02Å; W88-A90 HydrophobicContact CZ3-CB 3.61Å; A90-R119 VanDerWaalsContact CA-O 3.24Å; A90-R119 WeakPolarHBondContact CA-O 3.39Å; A90-R119 HydrophobicContact CB-CB 3.98Å; A90-L147 HydrophobicContact CB-CD1 4.3Å; A90-L147 HydrophobicContact CB-CD2 4.26Å
91	T	96.6	Very high	97	Very high	2 Å²	2	27.8 Å²	27.8	1%	0.012	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	159.7	165.8	54.5	0	0	0	0	111.8	A61 N94 T98 T99 L102 W118 R119 P120 M121	A61-T91 HydrophobicContact CB-CG2 4.27Å; A61-T91 VanDerWaalsContact O-CA 3.29Å; A61-T91 WeakPolarHBondContact O-CA 3.36Å; T91-N94 WeakPolarHBondContact CB-ND2 3.24Å; T91-T98 HydrophobicContact CG2-CG2 4.02Å; T91-T99 HydrophobicContact CG2-CG2 4.5Å; T91-T99 PolarHBondContact OG1-OG1 3.48Å; T91-L102 HydrophobicContact CG2-CD2 4.17Å; T91-W118 HydrophobicContact CG2-CH2 3.67Å; T91-W118 HydrophobicContact CG2-CZ3 4.11Å; T91-R119 PolarHBondContact N-O 2.81Å; T91-R119 VanDerWaalsContact N-O 3.08Å; T91-P120 WeakPolarHBondContact OG1-CA 3.14Å; T91-M121 VanDerWaalsContact O-CB 3.32Å; T91-M121 WeakPolarHBondContact O-CB 3.39Å; T91-M121 PolarHBondContact OG1-N 3.32Å
92	D	93.1	Very high	97	Very high	6 Å²	6	25.3 Å²	25.3	3%	0.032	14%	0.135	C	C	.	.			trans	-143.7	103.3	-172.6	171.9	33.8	0	0	0	109	A61 R62 N94 Y127 H143 L147	A61-D92 PolarHBondContact O-N 2.83Å; R62-D92 HydrophobicContact CB-CB 4.24Å; R62-D92 WeakPolarHBondContact CB-O 3.47Å; R62-D92 WeakPolarHBondContact CD-O 3.47Å; R62-D92 WeakPolarHBondContact CD-OD2 3.5Å; R62-D92 WeakPolarHBondContact CG-O 3.33Å; R62-D92 PolarHBondContact NE-O 3.07Å; R62-D92 VanDerWaalsContact NE-O 3.12Å; D92-N94 PolarHBondContact O-N 3.21Å; D92-Y127 WeakPolarHBondContact OD1-CE2 3.46Å; D92-Y127 PolarHBondContact OD1-OH 3.38Å; D92-H143 IonicContact OD1-CD2 2.86Å; D92-H143 IonicContact OD1-NE2 3.79Å; D92-L147 HydrophobicContact CB-CD1 4.48Å
93	H	94.1	Very high	97	Very high	9 Å²	9	26 Å²	26	4%	0.042	14%	0.137	C	C	.	.	S	Bend	trans	46.7	69.5	167.4	-57.3	72.5	0	0	0	113.6	R62 M121 P124 E125 Y127	R62-H93 PolarHBondContact NE-O 3.29Å; R62-H93 PolarHBondContact NH2-O 2.89Å; H93-M121 WeakPolarHBondContact CE1-CE 3.43Å; H93-M121 VanDerWaalsContact CE1-SD 3.58Å; H93-M121 PolarHBondContact N-O 3.23Å; H93-P124 WeakPolarHBondContact CA-O 3.39Å; H93-P124 VanDerWaalsContact CB-O 3.31Å; H93-P124 WeakPolarHBondContact CB-O 3.06Å; H93-P124 PolarHBondContact CD2-O 3.05Å; H93-E125 CarbonylContact C-O 3.55Å; H93-E125 VanDerWaalsContact C-O 3.29Å; H93-Y127 HydrophobicContact CB-CD2 4.28Å; H93-Y127 HydrophobicContact CB-CE2 3.94Å; H93-Y127 AromaticContact CD2-CE2 4Å; H93-Y127 AromaticContact CE1-CE1 3.88Å; H93-Y127 AromaticContact CE1-CE2 3.79Å; H93-Y127 AromaticContact CE1-CZ 3.43Å; H93-Y127 VanDerWaalsContact CE1-CZ 3.43Å; H93-Y127 PolarHBondContact CE1-OH 3.04Å; H93-Y127 AromaticContact CG-CE2 3.58Å; H93-Y127 AromaticContact ND1-CE2 3.44Å; H93-Y127 WeakPolarHBondContact ND1-CE2 3.43Å; H93-Y127 AromaticContact ND1-CZ 3.47Å; H93-Y127 PolarHBondContact ND1-OH 3.47Å; H93-Y127 AromaticContact NE2-CZ 3.97Å
94	N	95.4	Very high	97	Very high	9 Å²	9	25 Å²	25	5%	0.048	12%	0.123	C	C	.	.			trans	-92.3	138.8	-177	-70.2	-45.1	0	0	0	112.3	R62 N63 T91 D92 T98 T99	R62-N94 VanDerWaalsContact CA-OD1 3.28Å; R62-N94 WeakPolarHBondContact CA-OD1 3.4Å; N63-N94 PolarHBondContact N-OD1 2.7Å; N63-N94 WeakPolarHBondContact OD1-CA 3.38Å; T91-N94 WeakPolarHBondContact CB-ND2 3.24Å; D92-N94 PolarHBondContact O-N 3.21Å; N94-T98 WeakPolarHBondContact ND2-CB 3.39Å; N94-T98 WeakPolarHBondContact ND2-CG2 3.33Å; N94-T98 WeakPolarHBondContact OD1-CB 3.09Å; N94-T99 PolarHBondContact ND2-OG1 3.27Å
95	V	95.4	Very high	97	Very high	76 Å²	76	22 Å²	22	46%	0.461	11%	0.112	S	C	.	.	S	Bend	trans	-105.6	1.2	165.1	-64	0	0	0	0	112.4	N63 E125 L302	N63-V95 WeakPolarHBondContact OD1-CG2 3.43Å; N63-V95 PolarHBondContact OD1-N 3.42Å; V95-E125 HydrophobicContact CG1-CB 3.8Å; V95-L302 HydrophobicContact CG2-CD1 3.73Å
96	D	95.5	Very high	97	Very high	42 Å²	42	22.6 Å²	22.6	23%	0.225	12%	0.115	C	C	.	.	S	Bend	trans	-124.1	-178.1	-179	79.1	-4.1	0	0	0	112.1	N63 A64 A65 T98 L302	N63-D96 WeakPolarHBondContact CA-OD1 3.46Å; N63-D96 WeakPolarHBondContact CA-OD2 3.41Å; A64-D96 PolarHBondContact N-OD2 2.78Å; A65-D96 HydrophobicContact CB-CB 4.2Å; A65-D96 WeakPolarHBondContact CB-OD2 3.33Å; A65-D96 PolarHBondContact N-OD2 3.49Å; D96-T98 PolarHBondContact O-N 3.26Å; D96-T98 WeakPolarHBondContact OD1-CB 3.09Å; D96-T98 PolarHBondContact OD1-N 2.91Å; D96-T98 PolarHBondContact OD1-OG1 3.12Å; D96-T98 PolarHBondContact OD2-OG1 2.87Å; D96-L302 HydrophobicContact CB-CD1 4.29Å
97	N	96.1	Very high	97	Very high	93 Å²	93	28.5 Å²	28.5	50%	0.497	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.4	16.1	-175.1	-154.4	41.1	0	0	0	115.1	A65 T99 E100 I101	A65-N97 HydrophobicContact CB-CB 4.22Å; N97-T99 VanDerWaalsContact C-N 3.34Å; N97-T99 PolarHBondContact O-N 2.99Å; N97-E100 PolarHBondContact O-N 2.97Å; N97-E100 WeakPolarHBondContact OD1-CB 3.2Å; N97-I101 HydrophobicContact CB-CD1 4.28Å; N97-I101 WeakPolarHBondContact O-CG1 3.48Å; N97-I101 PolarHBondContact O-N 2.99Å; N97-I101 VanDerWaalsContact O-N 3.12Å
98	T	97.3	Very high	97	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-54.1	-46.8	-176.1	-70.9	0	0	0	0	112.6	A61 A64 A65 L68 T91 N94 D96 E100 L102	A61-T98 HydrophobicContact CB-CG2 3.51Å; A64-T98 HydrophobicContact CB-CG2 4.43Å; A64-T98 PolarHBondContact N-OG1 3.48Å; A65-T98 PolarHBondContact N-OG1 3.09Å; L68-T98 HydrophobicContact CD1-CG2 3.94Å; L68-T98 WeakPolarHBondContact CD1-O 3.49Å; T91-T98 HydrophobicContact CG2-CG2 4.02Å; N94-T98 WeakPolarHBondContact ND2-CB 3.39Å; N94-T98 WeakPolarHBondContact ND2-CG2 3.33Å; N94-T98 WeakPolarHBondContact OD1-CB 3.09Å; D96-T98 PolarHBondContact O-N 3.26Å; D96-T98 WeakPolarHBondContact OD1-CB 3.09Å; D96-T98 PolarHBondContact OD1-N 2.91Å; D96-T98 PolarHBondContact OD1-OG1 3.12Å; D96-T98 PolarHBondContact OD2-OG1 2.87Å; T98-E100 PolarHBondContact O-N 2.56Å; T98-L102 WeakPolarHBondContact O-CB 3.44Å; T98-L102 PolarHBondContact O-N 3.08Å; T98-L102 VanDerWaalsContact O-N 3.09Å
99	T	97.4	Very high	96.9	Very high	7 Å²	7	32.6 Å²	32.6	4%	0.043	16%	0.162	C	C	.	.	H	α-helix	trans	-64.3	-42.8	-177.4	-55.5	0	0	0	0	111.6	T91 N94 N97 R103 W118 P120 D122	T91-T99 HydrophobicContact CG2-CG2 4.5Å; T91-T99 PolarHBondContact OG1-OG1 3.48Å; N94-T99 PolarHBondContact ND2-OG1 3.27Å; N97-T99 VanDerWaalsContact C-N 3.34Å; N97-T99 PolarHBondContact O-N 2.99Å; T99-R103 WeakPolarHBondContact O-CB 3.48Å; T99-R103 PolarHBondContact O-N 2.85Å; T99-W118 HydrophobicContact CG2-CH2 3.98Å; T99-W118 HydrophobicContact CG2-CZ2 3.58Å; T99-P120 HydrophobicContact CG2-CB 4.11Å; T99-D122 WeakPolarHBondContact CB-OD1 3.34Å; T99-D122 WeakPolarHBondContact CG2-OD1 3.35Å; T99-D122 PolarHBondContact OG1-OD1 3.33Å
100	E	96.9	Very high	96.8	Very high	86 Å²	86	37.8 Å²	37.8	40%	0.402	19%	0.186	S	C	.	.	H	α-helix	trans	-69.8	-42	-178.3	-61.8	-58.3	159	0	0	112.4	N97 T98 L102 R103 E104	N97-E100 PolarHBondContact O-N 2.97Å; N97-E100 WeakPolarHBondContact OD1-CB 3.2Å; T98-E100 PolarHBondContact O-N 2.56Å; E100-L102 PolarHBondContact O-N 2.74Å; E100-R103 PolarHBondContact O-N 2.84Å; E100-R103 IonicContact OE1-CZ 2.71Å; E100-R103 VanDerWaalsContact OE1-CZ 3.24Å; E100-R103 IonicContact OE1-NH1 3.37Å; E100-R103 PolarHBondContact OE1-NH1 2.88Å; E100-R103 IonicContact OE1-NH2 3.34Å; E100-R103 PolarHBondContact OE1-NH2 2.77Å; E100-R103 IonicContact OE2-CZ 3.11Å; E100-R103 IonicContact OE2-NE 2.72Å; E100-R103 IonicContact OE2-NH1 3.42Å; E100-R103 PolarHBondContact OE2-NH1 2.88Å; E100-E104 WeakPolarHBondContact O-CB 3.49Å; E100-E104 PolarHBondContact O-N 2.76Å
101	I	97.9	Very high	96.7	Very high	15 Å²	15	48.9 Å²	48.9	8%	0.077	23%	0.228	C	C	.	.	H	α-helix	trans	-61.8	-46	177.8	-65.9	168.9	0	0	0	110.5	A65 L68 N97 R103 E104 W105 V329	A65-I101 HydrophobicContact CB-CD1 3.78Å; A65-I101 WeakPolarHBondContact O-CD1 3.37Å; L68-I101 HydrophobicContact CB-CG2 3.84Å; L68-I101 HydrophobicContact CD1-CB 4.07Å; L68-I101 HydrophobicContact CD1-CG2 3.98Å; N97-I101 HydrophobicContact CB-CD1 4.28Å; N97-I101 WeakPolarHBondContact O-CG1 3.48Å; N97-I101 PolarHBondContact O-N 2.99Å; N97-I101 VanDerWaalsContact O-N 3.12Å; I101-R103 VanDerWaalsContact C-N 3.34Å; I101-R103 PolarHBondContact O-N 3.21Å; I101-E104 PolarHBondContact O-N 3.33Å; I101-W105 PolarHBondContact O-N 3.1Å; I101-V329 HydrophobicContact CG2-CB 4.28Å; I101-V329 HydrophobicContact CG2-CG1 4.03Å
102	L	97.3	Very high	96.8	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-67.3	-37.2	178.4	-170.9	50.7	0	0	0	111.2	A61 L68 L72 A89 T91 T98 E100 W105 L106 W118	A61-L102 HydrophobicContact CB-CD2 3.86Å; L68-L102 HydrophobicContact CD1-CB 4.03Å; L68-L102 HydrophobicContact CD2-CD1 4.35Å; L72-L102 HydrophobicContact CD2-CD1 4.14Å; A89-L102 HydrophobicContact CB-CD2 4.34Å; T91-L102 HydrophobicContact CG2-CD2 4.17Å; T98-L102 WeakPolarHBondContact O-CB 3.44Å; T98-L102 PolarHBondContact O-N 3.08Å; T98-L102 VanDerWaalsContact O-N 3.09Å; E100-L102 PolarHBondContact O-N 2.74Å; L102-W105 HydrophobicContact CD1-CE3 4.17Å; L102-W105 PolarHBondContact O-N 3.12Å; L102-L106 HydrophobicContact CD1-CD1 4.41Å; L102-L106 HydrophobicContact CD1-CG 4.37Å; L102-L106 HydrophobicContact CG-CD1 4.11Å; L102-L106 WeakPolarHBondContact O-CB 3.25Å; L102-L106 WeakPolarHBondContact O-CD1 3.36Å; L102-L106 WeakPolarHBondContact O-CG 3.45Å; L102-L106 PolarHBondContact O-N 3.49Å; L102-W118 HydrophobicContact CB-CH2 4.1Å; L102-W118 HydrophobicContact CB-CZ3 4.34Å; L102-W118 HydrophobicContact CD2-CH2 4.09Å; L102-W118 HydrophobicContact CD2-CZ3 3.65Å; L102-W118 HydrophobicContact CG-CH2 4.02Å; L102-W118 HydrophobicContact CG-CZ3 3.73Å
103	R	97.8	Very high	97	Very high	58 Å²	58	52.9 Å²	52.9	22%	0.219	25%	0.248	C	C	.	.	H	α-helix	trans	-67.3	-38.7	175.6	-172.3	-167.6	-60.8	167	-1.5	112.9	T99 E100 I101 K107 W118 D122	T99-R103 WeakPolarHBondContact O-CB 3.48Å; T99-R103 PolarHBondContact O-N 2.85Å; E100-R103 PolarHBondContact O-N 2.84Å; E100-R103 IonicContact OE1-CZ 2.71Å; E100-R103 VanDerWaalsContact OE1-CZ 3.24Å; E100-R103 IonicContact OE1-NH1 3.37Å; E100-R103 PolarHBondContact OE1-NH1 2.88Å; E100-R103 IonicContact OE1-NH2 3.34Å; E100-R103 PolarHBondContact OE1-NH2 2.77Å; E100-R103 IonicContact OE2-CZ 3.11Å; E100-R103 IonicContact OE2-NE 2.72Å; E100-R103 IonicContact OE2-NH1 3.42Å; E100-R103 PolarHBondContact OE2-NH1 2.88Å; I101-R103 VanDerWaalsContact C-N 3.34Å; I101-R103 PolarHBondContact O-N 3.21Å; R103-K107 WeakPolarHBondContact O-CB 3.49Å; R103-K107 VanDerWaalsContact O-CG 3.27Å; R103-K107 WeakPolarHBondContact O-CG 3.18Å; R103-K107 PolarHBondContact O-N 3.49Å; R103-K107 VanDerWaalsContact O-N 3.14Å; R103-W118 HydrophobicContact CB-CZ2 4.04Å; R103-D122 IonicContact NH2-OD2 3.24Å; R103-D122 PolarHBondContact NH2-OD2 2.78Å
104	E	98.3	Very high	97.1	Very high	55 Å²	55	58.4 Å²	58.4	26%	0.257	27%	0.273	S	S	.	.	H	α-helix	trans	-59.5	-53	172.3	-177.8	-174.1	-162.7	0	0	109.8	E100 I101 L106 K107 N108 V329 S330	E100-E104 WeakPolarHBondContact O-CB 3.49Å; E100-E104 PolarHBondContact O-N 2.76Å; I101-E104 PolarHBondContact O-N 3.33Å; E104-L106 PolarHBondContact O-N 2.86Å; E104-K107 PolarHBondContact O-N 3.36Å; E104-N108 PolarHBondContact O-N 3.15Å; E104-N108 VanDerWaalsContact O-N 3.11Å; E104-N108 PolarHBondContact O-ND2 3.17Å; E104-V329 WeakPolarHBondContact OE2-CA 3.49Å; E104-S330 VanDerWaalsContact CD-N 3.31Å; E104-S330 WeakPolarHBondContact OE1-CB 3.39Å; E104-S330 PolarHBondContact OE1-N 2.9Å; E104-S330 VanDerWaalsContact OE1-N 3.12Å; E104-S330 PolarHBondContact OE1-OG 2.81Å; E104-S330 PolarHBondContact OE2-N 2.85Å
105	W	98.6	Very high	97.2	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-55.8	-53.3	178.5	-174.8	78	0	0	0	112.3	L72 L75 E76 I87 I101 L102 K107 N108 V109 Y113 V329	L72-W105 HydrophobicContact CB-CG 4.43Å; L72-W105 HydrophobicContact CD1-CB 3.77Å; L72-W105 HydrophobicContact CD1-CD2 4.1Å; L72-W105 HydrophobicContact CD1-CG 3.64Å; L72-W105 HydrophobicContact CD2-CD2 3.66Å; L72-W105 HydrophobicContact CD2-CE3 3.77Å; L72-W105 HydrophobicContact CD2-CG 4.14Å; L72-W105 HydrophobicContact CD2-CH2 4.17Å; L72-W105 HydrophobicContact CD2-CZ2 4.05Å; L72-W105 HydrophobicContact CD2-CZ3 4.02Å; L72-W105 HydrophobicContact CG-CD2 4.28Å; L72-W105 HydrophobicContact CG-CG 4.27Å; L75-W105 HydrophobicContact CD2-CH2 3.69Å; L75-W105 HydrophobicContact CD2-CZ2 4.15Å; L75-W105 HydrophobicContact CG-CH2 4.45Å; E76-W105 HydrophobicContact CG-CZ2 4.36Å; E76-W105 PolarHBondContact OE1-NE1 2.78Å; I87-W105 HydrophobicContact CD1-CH2 4.24Å; I87-W105 HydrophobicContact CG1-CH2 4.23Å; I87-W105 HydrophobicContact CG1-CZ3 4.4Å; I87-W105 HydrophobicContact CG2-CZ3 4.15Å; I101-W105 PolarHBondContact O-N 3.1Å; L102-W105 HydrophobicContact CD1-CE3 4.17Å; L102-W105 PolarHBondContact O-N 3.12Å; W105-K107 VanDerWaalsContact C-N 3.32Å; W105-K107 PolarHBondContact O-N 3.5Å; W105-N108 PolarHBondContact O-N 3.05Å; W105-V109 HydrophobicContact CD2-CG1 4.22Å; W105-V109 HydrophobicContact CD2-CG2 3.83Å; W105-V109 HydrophobicContact CE3-CG2 3.88Å; W105-V109 HydrophobicContact CG-CG1 4.37Å; W105-V109 HydrophobicContact CH2-CG2 3.93Å; W105-V109 HydrophobicContact CZ2-CG1 4.24Å; W105-V109 HydrophobicContact CZ2-CG2 3.89Å; W105-V109 HydrophobicContact CZ3-CG2 3.94Å; W105-V109 WeakPolarHBondContact O-CG2 3.12Å; W105-V109 PolarHBondContact O-N 2.89Å; W105-Y113 HydrophobicContact CH2-CE2 4.09Å; W105-Y113 HydrophobicContact CZ2-CE2 4.14Å; W105-V329 HydrophobicContact CB-CG1 3.67Å; W105-V329 HydrophobicContact CG-CG1 4.24Å
106	L	98.1	Very high	97.3	Very high	11 Å²	11	59.4 Å²	59.4	6%	0.058	27%	0.273	C	S	.	.	H	α-helix	trans	-57.9	-43.1	-178.2	-68.3	165.8	0	0	0	111.6	I87 A89 L102 E104 N108 V109 Q110 V116 W118	I87-L106 HydrophobicContact CG2-CD2 3.85Å; A89-L106 HydrophobicContact CB-CD1 3.83Å; A89-L106 HydrophobicContact CB-CD2 4.05Å; L102-L106 HydrophobicContact CD1-CD1 4.41Å; L102-L106 HydrophobicContact CD1-CG 4.37Å; L102-L106 HydrophobicContact CG-CD1 4.11Å; L102-L106 WeakPolarHBondContact O-CB 3.25Å; L102-L106 WeakPolarHBondContact O-CD1 3.36Å; L102-L106 WeakPolarHBondContact O-CG 3.45Å; L102-L106 PolarHBondContact O-N 3.49Å; E104-L106 PolarHBondContact O-N 2.86Å; L106-N108 VanDerWaalsContact C-N 3.28Å; L106-N108 PolarHBondContact O-N 3.49Å; L106-V109 PolarHBondContact O-N 3.34Å; L106-Q110 VanDerWaalsContact O-CB 3.3Å; L106-Q110 WeakPolarHBondContact O-CB 3.33Å; L106-Q110 PolarHBondContact O-N 3.19Å; L106-V116 HydrophobicContact CB-CG1 4.46Å; L106-V116 HydrophobicContact CD2-CG1 3.6Å; L106-W118 HydrophobicContact CD1-CB 4.3Å; L106-W118 HydrophobicContact CD1-CD2 3.63Å; L106-W118 HydrophobicContact CD1-CE3 3.26Å; L106-W118 HydrophobicContact CD1-CG 4.11Å; L106-W118 HydrophobicContact CD1-CH2 4.45Å; L106-W118 HydrophobicContact CD1-CZ3 3.75Å
107	K	97.7	Very high	97.4	Very high	129 Å²	129	58.7 Å²	58.7	56%	0.561	27%	0.268	S	S	*	.	H	α-helix	trans	-59.8	-38.6	175.2	-76.5	170.2	179.1	173.4	0	112.3	R103 E104 W105 Q110	R103-K107 WeakPolarHBondContact O-CB 3.49Å; R103-K107 VanDerWaalsContact O-CG 3.27Å; R103-K107 WeakPolarHBondContact O-CG 3.18Å; R103-K107 PolarHBondContact O-N 3.49Å; R103-K107 VanDerWaalsContact O-N 3.14Å; E104-K107 PolarHBondContact O-N 3.36Å; W105-K107 VanDerWaalsContact C-N 3.32Å; W105-K107 PolarHBondContact O-N 3.5Å; K107-Q110 WeakPolarHBondContact O-CG 3.46Å; K107-Q110 PolarHBondContact O-NE2 3.44Å
108	N	97.8	Very high	97.4	Very high	86 Å²	86	57.7 Å²	57.7	46%	0.46	26%	0.258	S	S	.	.	H	α-helix	trans	-78	-35.4	-177.7	-71	-23.6	0	0	0	112.6	E104 W105 L106 Y328	E104-N108 PolarHBondContact O-N 3.15Å; E104-N108 VanDerWaalsContact O-N 3.11Å; E104-N108 PolarHBondContact O-ND2 3.17Å; W105-N108 PolarHBondContact O-N 3.05Å; L106-N108 VanDerWaalsContact C-N 3.28Å; L106-N108 PolarHBondContact O-N 3.49Å; N108-Y328 HydrophobicContact CB-CD1 4.1Å; N108-Y328 HydrophobicContact CB-CG 4.28Å; N108-Y328 PolarHBondContact ND2-O 3.02Å
109	V	96.9	Very high	97.4	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-96.3	-10.4	-177	-52.6	0	0	0	0	115.5	W105 L106 R111 L112 Y113 Y328	W105-V109 HydrophobicContact CD2-CG1 4.22Å; W105-V109 HydrophobicContact CD2-CG2 3.83Å; W105-V109 HydrophobicContact CE3-CG2 3.88Å; W105-V109 HydrophobicContact CG-CG1 4.37Å; W105-V109 HydrophobicContact CH2-CG2 3.93Å; W105-V109 HydrophobicContact CZ2-CG1 4.24Å; W105-V109 HydrophobicContact CZ2-CG2 3.89Å; W105-V109 HydrophobicContact CZ3-CG2 3.94Å; W105-V109 WeakPolarHBondContact O-CG2 3.12Å; W105-V109 PolarHBondContact O-N 2.89Å; L106-V109 PolarHBondContact O-N 3.34Å; V109-R111 PolarHBondContact O-N 3.05Å; V109-L112 HydrophobicContact CB-CD1 4.29Å; V109-L112 HydrophobicContact CG1-CD1 4.45Å; V109-L112 WeakPolarHBondContact O-CB 3.27Å; V109-L112 PolarHBondContact O-N 2.8Å; V109-Y113 HydrophobicContact CB-CD2 3.93Å; V109-Y113 HydrophobicContact CB-CE2 3.8Å; V109-Y113 HydrophobicContact CG2-CD2 3.71Å; V109-Y113 HydrophobicContact CG2-CE2 3.67Å; V109-Y328 HydrophobicContact CG1-CD1 4.46Å; V109-Y328 HydrophobicContact CG1-CD2 3.44Å; V109-Y328 VanDerWaalsContact CG1-CD2 3.44Å; V109-Y328 HydrophobicContact CG1-CE2 3.88Å; V109-Y328 HydrophobicContact CG1-CG 3.77Å
110	Q	96.1	Very high	97.3	Very high	108 Å²	108	65.2 Å²	65.2	51%	0.505	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.2	-30.5	-173	64.6	-173.7	-55.2	0	0	115.8	L106 K107 V116	L106-Q110 VanDerWaalsContact O-CB 3.3Å; L106-Q110 WeakPolarHBondContact O-CB 3.33Å; L106-Q110 PolarHBondContact O-N 3.19Å; K107-Q110 WeakPolarHBondContact O-CG 3.46Å; K107-Q110 PolarHBondContact O-NE2 3.44Å; Q110-V116 HydrophobicContact CB-CG2 4.42Å
111	R	96.9	Very high	97.1	Very high	235 Å²	235	63.8 Å²	63.8	89%	0.887	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.6	-10.7	-179.4	-63.5	-175.9	179.5	160.8	-0.2	114.1	V109	V109-R111 PolarHBondContact O-N 3.05Å
112	L	97.5	Very high	96.4	Very high	79 Å²	79	66.1 Å²	66.1	41%	0.414	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-33.2	179.5	-53.4	178	0	0	0	111.4	K82 S83 V109 Y328	K82-L112 CarbonylContact C-O 3.15Å; K82-L112 HydrophobicContact CB-CB 4.41Å; K82-L112 WeakPolarHBondContact CB-O 3.42Å; S83-L112 PolarHBondContact N-O 2.75Å; V109-L112 HydrophobicContact CB-CD1 4.29Å; V109-L112 HydrophobicContact CG1-CD1 4.45Å; V109-L112 WeakPolarHBondContact O-CB 3.27Å; V109-L112 PolarHBondContact O-N 2.8Å; L112-Y328 HydrophobicContact CD1-CE2 4.18Å; L112-Y328 WeakPolarHBondContact CD1-OH 3.31Å
113	Y	97.6	Very high	96	Very high	13 Å²	13	72.9 Å²	72.9	5%	0.051	33%	0.332	C	S	.	.	S	Bend	trans	-89.5	151.2	-177.7	-71.6	-83.5	0	0	0	111.7	K82 M85 I87 W105 V109 Y115	K82-Y113 HydrophobicContact CB-CD1 4.27Å; K82-Y113 HydrophobicContact CB-CE1 4.28Å; K82-Y113 HydrophobicContact CD-CE1 3.83Å; K82-Y113 HydrophobicContact CG-CE1 4.44Å; K82-Y113 WeakPolarHBondContact O-CA 3.48Å; M85-Y113 HydrophobicContact CB-CD1 3.66Å; M85-Y113 HydrophobicContact CB-CE1 3.88Å; M85-Y113 HydrophobicContact CE-CE1 4.29Å; M85-Y113 HydrophobicContact SD-CE1 4.11Å; I87-Y113 HydrophobicContact CD1-CD1 3.81Å; I87-Y113 HydrophobicContact CD1-CE1 3.63Å; I87-Y113 HydrophobicContact CD1-CG 4.4Å; I87-Y113 HydrophobicContact CG1-CD1 3.64Å; I87-Y113 HydrophobicContact CG1-CD2 4.11Å; I87-Y113 HydrophobicContact CG1-CE1 3.92Å; I87-Y113 HydrophobicContact CG1-CE2 4.34Å; I87-Y113 HydrophobicContact CG1-CG 3.76Å; W105-Y113 HydrophobicContact CH2-CE2 4.09Å; W105-Y113 HydrophobicContact CZ2-CE2 4.14Å; V109-Y113 HydrophobicContact CB-CD2 3.93Å; V109-Y113 HydrophobicContact CB-CE2 3.8Å; V109-Y113 HydrophobicContact CG2-CD2 3.71Å; V109-Y113 HydrophobicContact CG2-CE2 3.67Å; Y113-Y115 VanDerWaalsContact C-N 3.3Å; Y113-Y115 PolarHBondContact O-N 2.88Å
114	H	96.6	Very high	95.7	Very high	125 Å²	125	73.1 Å²	73.1	58%	0.579	34%	0.34	S	S	*	.	S	Bend	trans	-59.7	-41.6	178	179.4	66.2	0	0	0	112.7	K82 S83 M85	K82-H114 PolarHBondContact O-N 2.51Å; S83-H114 WeakPolarHBondContact O-CB 3.11Å; M85-H114 WeakPolarHBondContact O-CB 3.24Å; M85-H114 PolarHBondContact O-N 2.75Å
115	Y	97.3	Very high	95.4	Very high	67 Å²	67	75.2 Å²	75.2	26%	0.263	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	145.7	-177.4	177	-116.5	0	0	0	108.7	A86 I87 Y113 E117 T154 K158	A86-Y115 CarbonylContact C-O 3.53Å; A86-Y115 WeakPolarHBondContact CA-O 3.5Å; A86-Y115 HydrophobicContact CB-CD1 4.27Å; I87-Y115 PolarHBondContact N-O 3.44Å; Y113-Y115 VanDerWaalsContact C-N 3.3Å; Y113-Y115 PolarHBondContact O-N 2.88Å; Y115-E117 HydrophobicContact CE1-CB 3.75Å; Y115-E117 PolarHBondContact OH-OE2 3.28Å; Y115-T154 HydrophobicContact CE1-CG2 4.37Å; Y115-K158 HydrophobicContact CD1-CG 4.34Å; Y115-K158 HydrophobicContact CE1-CD 4.4Å; Y115-K158 HydrophobicContact CE1-CG 4.27Å; Y115-K158 VanDerWaalsContact CZ-CE 3.46Å
116	V	97.6	Very high	95.2	Very high	39 Å²	39	78.3 Å²	78.3	24%	0.236	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	125.6	172.8	179.3	0	0	0	0	108.8	I87 L106 Q110	I87-V116 HydrophobicContact CB-CG2 4.29Å; I87-V116 CarbonylContact O-C 3.56Å; I87-V116 WeakPolarHBondContact O-CA 3.47Å; L106-V116 HydrophobicContact CB-CG1 4.46Å; L106-V116 HydrophobicContact CD2-CG1 3.6Å; Q110-V116 HydrophobicContact CB-CG2 4.42Å
117	E	97.4	Very high	95	Very high	27 Å²	27	78.4 Å²	78.4	13%	0.126	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	137	170.8	-166.9	171.6	136	0	0	110	I87 W88 A89 Y115 R119 T154	I87-E117 PolarHBondContact O-N 3.44Å; W88-E117 VanDerWaalsContact CD1-CD 3.46Å; W88-E117 HydrophobicContact CG-CB 4.42Å; W88-E117 VanDerWaalsContact NE1-CD 3.28Å; W88-E117 PolarHBondContact NE1-OE1 3.16Å; A89-E117 PolarHBondContact N-O 2.83Å; Y115-E117 HydrophobicContact CE1-CB 3.75Å; Y115-E117 PolarHBondContact OH-OE2 3.28Å; E117-R119 IonicContact OE1-CZ 3.27Å; E117-R119 IonicContact OE1-NE 2.72Å; E117-R119 PolarHBondContact OE1-NE 3.46Å; E117-R119 IonicContact OE1-NH2 2.67Å; E117-R119 PolarHBondContact OE1-NH2 3.12Å; E117-T154 WeakPolarHBondContact OE2-CG2 3.42Å
118	W	97.1	Very high	94.8	Very high	72 Å²	72	78.6 Å²	78.6	27%	0.273	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	125.1	-176.7	177	-129.3	0	0	0	110.7	A89 T91 T99 L102 R103 L106 P120	A89-W118 HydrophobicContact CB-CE3 3.83Å; A89-W118 HydrophobicContact CB-CZ3 4.1Å; A89-W118 CarbonylContact O-C 3.6Å; A89-W118 WeakPolarHBondContact O-CA 3.43Å; T91-W118 HydrophobicContact CG2-CH2 3.67Å; T91-W118 HydrophobicContact CG2-CZ3 4.11Å; T99-W118 HydrophobicContact CG2-CH2 3.98Å; T99-W118 HydrophobicContact CG2-CZ2 3.58Å; L102-W118 HydrophobicContact CB-CH2 4.1Å; L102-W118 HydrophobicContact CB-CZ3 4.34Å; L102-W118 HydrophobicContact CD2-CH2 4.09Å; L102-W118 HydrophobicContact CD2-CZ3 3.65Å; L102-W118 HydrophobicContact CG-CH2 4.02Å; L102-W118 HydrophobicContact CG-CZ3 3.73Å; R103-W118 HydrophobicContact CB-CZ2 4.04Å; L106-W118 HydrophobicContact CD1-CB 4.3Å; L106-W118 HydrophobicContact CD1-CD2 3.63Å; L106-W118 HydrophobicContact CD1-CE3 3.26Å; L106-W118 HydrophobicContact CD1-CG 4.11Å; L106-W118 HydrophobicContact CD1-CH2 4.45Å; L106-W118 HydrophobicContact CD1-CZ3 3.75Å; W118-P120 HydrophobicContact CZ2-CB 3.8Å
119	R	96.9	Very high	94.7	Very high	102 Å²	102	78.1 Å²	78.1	39%	0.385	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	81.3	179.9	-63.2	-170.6	-177.4	-145.9	0.9	110.4	W88 A89 A90 T91 E117	W88-R119 VanDerWaalsContact CZ2-CD 3.47Å; A89-R119 PolarHBondContact O-N 2.86Å; A90-R119 VanDerWaalsContact CA-O 3.24Å; A90-R119 WeakPolarHBondContact CA-O 3.39Å; A90-R119 HydrophobicContact CB-CB 3.98Å; T91-R119 PolarHBondContact N-O 2.81Å; T91-R119 VanDerWaalsContact N-O 3.08Å; E117-R119 IonicContact OE1-CZ 3.27Å; E117-R119 IonicContact OE1-NE 2.72Å; E117-R119 PolarHBondContact OE1-NE 3.46Å; E117-R119 IonicContact OE1-NH2 2.67Å; E117-R119 PolarHBondContact OE1-NH2 3.12Å
120	P	94.8	Very high	94.5	Very high	63 Å²	63	79.6 Å²	79.6	41%	0.409	39%	0.39	S	S	.	.			trans	-70.9	142.7	177	29.5	-32.4	0	0	0	110.9	T91 T99 W118	T91-P120 WeakPolarHBondContact OG1-CA 3.14Å; T99-P120 HydrophobicContact CG2-CB 4.11Å; W118-P120 HydrophobicContact CZ2-CB 3.8Å
121	M	92.4	Very high	94.4	Very high	55 Å²	55	80.3 Å²	80.3	27%	0.271	40%	0.396	S	S	.	.			trans	-134.9	92.5	164.4	-171.3	163.3	-177.6	0	0	109.2	T91 H93 E123 H143	T91-M121 VanDerWaalsContact O-CB 3.32Å; T91-M121 WeakPolarHBondContact O-CB 3.39Å; T91-M121 PolarHBondContact OG1-N 3.32Å; H93-M121 WeakPolarHBondContact CE1-CE 3.43Å; H93-M121 VanDerWaalsContact CE1-SD 3.58Å; H93-M121 PolarHBondContact N-O 3.23Å; M121-E123 WeakPolarHBondContact CE-O 3.38Å; M121-H143 VanDerWaalsContact SD-CE1 3.54Å
122	D	83.5	Confident	94.1	Very high	65 Å²	65	70 Å²	70	35%	0.348	36%	0.362	S	S	.	.			trans	-88.1	-26.4	-178.5	-63.2	-36.5	0	0	0	112.2	T99 R103	T99-D122 WeakPolarHBondContact CB-OD1 3.34Å; T99-D122 WeakPolarHBondContact CG2-OD1 3.35Å; T99-D122 PolarHBondContact OG1-OD1 3.33Å; R103-D122 IonicContact NH2-OD2 3.24Å; R103-D122 PolarHBondContact NH2-OD2 2.78Å
123	E	88.8	Confident	93.9	Very high	142 Å²	142	67.8 Å²	67.8	66%	0.664	35%	0.353	S	S	*	.	S	Bend	trans	-130.3	138	-177.2	-74.7	-74.8	-173.1	0	0	112	M121	M121-E123 WeakPolarHBondContact CE-O 3.38Å
124	P	92.7	Very high	93.7	Very high	62 Å²	62	68.8 Å²	68.8	40%	0.403	36%	0.358	S	S	.	.	S	Bend	cis	-68.4	156.9	-8.6	24.4	-26.4	0	0	0	112.6	H93 S126	H93-P124 WeakPolarHBondContact CA-O 3.39Å; H93-P124 VanDerWaalsContact CB-O 3.31Å; H93-P124 WeakPolarHBondContact CB-O 3.06Å; H93-P124 PolarHBondContact CD2-O 3.05Å; P124-S126 PolarHBondContact O-N 3.23Å
125	E	92.2	Very high	93.6	Very high	100 Å²	100	65 Å²	65	47%	0.467	34%	0.34	S	S	.	.	S	Bend	trans	-69.9	-14.4	175.7	-57.5	-174.9	158	0	0	113.4	R62 H93 V95	R62-E125 PolarHBondContact NH2-O 2.91Å; H93-E125 CarbonylContact C-O 3.55Å; H93-E125 VanDerWaalsContact C-O 3.29Å; V95-E125 HydrophobicContact CG1-CB 3.8Å
126	S	93.8	Very high	93.4	Very high	64 Å²	64	65.4 Å²	65.4	45%	0.448	34%	0.341	S	S	.	.	S	Bend	trans	-145.6	160	-176.3	57.2	0	0	0	0	114	P124 E130	P124-S126 PolarHBondContact O-N 3.23Å; S126-E130 WeakPolarHBondContact CA-OE1 3.34Å; S126-E130 WeakPolarHBondContact CB-OE1 3.31Å
127	Y	94.2	Very high	93.2	Very high	14 Å²	14	63.9 Å²	63.9	6%	0.055	33%	0.332	C	S	.	.			trans	-87.7	137.7	173.5	-74.3	-95.5	0	0	0	111.2	D92 H93 D129 E130 S139 R140 H143	D92-Y127 WeakPolarHBondContact OD1-CE2 3.46Å; D92-Y127 PolarHBondContact OD1-OH 3.38Å; H93-Y127 HydrophobicContact CB-CD2 4.28Å; H93-Y127 HydrophobicContact CB-CE2 3.94Å; H93-Y127 AromaticContact CD2-CE2 4Å; H93-Y127 AromaticContact CE1-CE1 3.88Å; H93-Y127 AromaticContact CE1-CE2 3.79Å; H93-Y127 AromaticContact CE1-CZ 3.43Å; H93-Y127 VanDerWaalsContact CE1-CZ 3.43Å; H93-Y127 PolarHBondContact CE1-OH 3.04Å; H93-Y127 AromaticContact CG-CE2 3.58Å; H93-Y127 AromaticContact ND1-CE2 3.44Å; H93-Y127 WeakPolarHBondContact ND1-CE2 3.43Å; H93-Y127 AromaticContact ND1-CZ 3.47Å; H93-Y127 PolarHBondContact ND1-OH 3.47Å; H93-Y127 AromaticContact NE2-CZ 3.97Å; Y127-D129 PolarHBondContact O-N 2.76Å; Y127-D129 VanDerWaalsContact O-N 3.09Å; Y127-E130 PolarHBondContact N-OE1 3.29Å; Y127-E130 WeakPolarHBondContact O-CG 3.14Å; Y127-E130 PolarHBondContact O-N 3.15Å; Y127-S139 WeakPolarHBondContact CD1-OG 3.49Å; Y127-R140 HydrophobicContact CD1-CB 4.35Å; Y127-R140 HydrophobicContact CD2-CB 4.14Å; Y127-R140 HydrophobicContact CD2-CG 4.41Å; Y127-R140 HydrophobicContact CE1-CB 4.13Å; Y127-R140 HydrophobicContact CE2-CB 3.94Å; Y127-R140 HydrophobicContact CE2-CG 3.91Å; Y127-R140 HydrophobicContact CG-CB 4.33Å; Y127-H143 HydrophobicContact CE1-CB 4.13Å; Y127-H143 WeakPolarHBondContact OH-CB 3.43Å; Y127-H143 PolarHBondContact OH-CD2 2.96Å; Y127-H143 VanDerWaalsContact OH-CD2 3.32Å
128	P	93.2	Very high	93.1	Very high	133 Å²	133	66 Å²	66	86%	0.864	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-23.2	-175.5	-25.7	34.7	0	0	0	115.9
129	D	94.8	Very high	93	Very high	75 Å²	75	64.3 Å²	64.3	40%	0.401	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.3	18.8	179.6	58.1	-26	0	0	0	112.7	Y127 P137 S139	Y127-D129 PolarHBondContact O-N 2.76Å; Y127-D129 VanDerWaalsContact O-N 3.09Å; D129-P137 HydrophobicContact CB-CB 4.41Å; D129-P137 WeakPolarHBondContact OD2-CB 3.29Å; D129-S139 VanDerWaalsContact CG-OG 3.28Å; D129-S139 VanDerWaalsContact OD1-CB 3.25Å; D129-S139 WeakPolarHBondContact OD1-CB 3.5Å; D129-S139 PolarHBondContact OD1-OG 2.99Å; D129-S139 PolarHBondContact OD2-OG 3.48Å
130	E	93.6	Very high	92.9	Very high	31 Å²	31	60.1 Å²	60.1	15%	0.145	33%	0.334	C	S	.	.			trans	-104.6	143.8	174.9	96.6	-168.3	156.6	0	0	115.1	R62 S126 Y127 H135 P137	R62-E130 IonicContact CZ-OE1 3.2Å; R62-E130 IonicContact CZ-OE2 3.83Å; R62-E130 IonicContact NH1-OE1 2.73Å; R62-E130 IonicContact NH1-OE2 3.42Å; R62-E130 PolarHBondContact NH1-OE2 3.1Å; R62-E130 IonicContact NH2-OE1 3.51Å; R62-E130 PolarHBondContact NH2-OE1 3.38Å; R62-E130 IonicContact NH2-OE2 3.92Å; R62-E130 PolarHBondContact NH2-OE2 2.88Å; S126-E130 WeakPolarHBondContact CA-OE1 3.34Å; S126-E130 WeakPolarHBondContact CB-OE1 3.31Å; Y127-E130 PolarHBondContact N-OE1 3.29Å; Y127-E130 WeakPolarHBondContact O-CG 3.14Å; Y127-E130 PolarHBondContact O-N 3.15Å; E130-H135 WeakPolarHBondContact CA-ND1 3.48Å; E130-H135 HydrophobicContact CB-CB 4.3Å; E130-P137 HydrophobicContact CB-CG 3.93Å
131	I	93.1	Very high	92.9	Very high	124 Å²	124	58 Å²	58	64%	0.636	32%	0.318	S	S	*	.	S	Bend	trans	-101.2	-2.8	-177.5	63.2	172.1	0	0	0	113.3	H135	I131-H135 HydrophobicContact CG1-CB 4Å
132	G	92.1	Very high	93.1	Very high	17 Å²	17	56.2 Å²	56.2	18%	0.175	31%	0.311	C	S	.	.	S	Bend	trans	170.7	163.2	-173.8	0	0	0	0	0	112.1	K134 H135	G132-K134 VanDerWaalsContact C-N 3.25Å; G132-K134 PolarHBondContact O-N 3.02Å; G132-H135 VanDerWaalsContact O-CB 3.29Å; G132-H135 WeakPolarHBondContact O-CB 3.28Å; G132-H135 PolarHBondContact O-N 3.45Å
133	P	92.6	Very high	93.8	Very high	34 Å²	34	55.1 Å²	55.1	22%	0.221	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-22.4	-167.7	26.6	-35.5	0	0	0	114.3	R140 L302	P133-R140 PolarHBondContact O-NH1 3.47Å; P133-L302 HydrophobicContact CB-CD2 3.81Å; P133-L302 HydrophobicContact CB-CG 4.2Å; P133-L302 HydrophobicContact CG-CD2 3.89Å; P133-L302 HydrophobicContact CG-CG 3.98Å
134	K	93.3	Very high	94.1	Very high	33 Å²	33	48.8 Å²	48.8	14%	0.143	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.6	0.6	176.5	-55.2	-61.1	-69.1	-169.5	0	113.2	G132 L296 L302 D305	G132-K134 VanDerWaalsContact C-N 3.25Å; G132-K134 PolarHBondContact O-N 3.02Å; K134-L296 HydrophobicContact CB-CB 4.3Å; K134-L296 HydrophobicContact CD-CD1 4.34Å; K134-L296 HydrophobicContact CG-CB 4.11Å; K134-L296 HydrophobicContact CG-CD1 4.1Å; K134-L302 HydrophobicContact CD-CD2 4.39Å; K134-D305 WeakPolarHBondContact CE-OD1 3.22Å; K134-D305 WeakPolarHBondContact CE-OD2 3.31Å; K134-D305 IonicContact NZ-OD1 3.44Å; K134-D305 PolarHBondContact NZ-OD1 3.43Å; K134-D305 IonicContact NZ-OD2 2.68Å; K134-D305 PolarHBondContact NZ-OD2 2.82Å
135	H	93.6	Very high	94.3	Very high	47 Å²	47	45.8 Å²	45.8	22%	0.218	26%	0.256	C	S	.	.			trans	-72.2	143.9	173.4	-174.5	-127.9	0	0	0	111.6	E130 I131 G132 P137 R140	E130-H135 WeakPolarHBondContact CA-ND1 3.48Å; E130-H135 HydrophobicContact CB-CB 4.3Å; I131-H135 HydrophobicContact CG1-CB 4Å; G132-H135 VanDerWaalsContact O-CB 3.29Å; G132-H135 WeakPolarHBondContact O-CB 3.28Å; G132-H135 PolarHBondContact O-N 3.45Å; H135-P137 VanDerWaalsContact C-CD 3.49Å; H135-P137 VanDerWaalsContact O-CD 3.31Å; H135-P137 WeakPolarHBondContact O-CD 3.38Å; H135-R140 WeakPolarHBondContact O-CD 3.45Å; H135-R140 PolarHBondContact O-NH1 3.34Å
136	W	93	Very high	94.6	Very high	75 Å²	75	45.8 Å²	45.8	28%	0.284	25%	0.254	S	S	.	.			trans	-117.6	81.2	176.7	-75.2	81.1	0	0	0	110.5	R140 F141 V144	W136-R140 HydrophobicContact CE3-CG 4.17Å; W136-R140 HydrophobicContact CZ3-CG 4.48Å; W136-F141 HydrophobicContact CB-CE1 3.95Å; W136-F141 HydrophobicContact CB-CE2 4.01Å; W136-F141 HydrophobicContact CB-CZ 3.57Å; W136-F141 HydrophobicContact CD2-CE1 4.06Å; W136-F141 AromaticContact CE3-CD1 3.64Å; W136-F141 HydrophobicContact CE3-CD1 3.64Å; W136-F141 AromaticContact CE3-CE1 3.45Å; W136-F141 HydrophobicContact CE3-CE1 3.45Å; W136-F141 VanDerWaalsContact CE3-CE1 3.45Å; W136-F141 HydrophobicContact CE3-CZ 4.29Å; W136-F141 HydrophobicContact CG-CE1 4.31Å; W136-F141 HydrophobicContact CG-CZ 4.34Å; W136-F141 HydrophobicContact CZ3-CD1 4.21Å; W136-F141 HydrophobicContact CZ3-CE1 4.23Å; W136-F141 WeakPolarHBondContact O-CE2 3.36Å; W136-V144 HydrophobicContact CH2-CG2 4.49Å; W136-V144 HydrophobicContact CZ3-CB 4.46Å; W136-V144 HydrophobicContact CZ3-CG1 4.44Å; W136-V144 HydrophobicContact CZ3-CG2 4.06Å
137	P	94.4	Very high	94.8	Very high	7 Å²	7	43.7 Å²	43.7	5%	0.045	24%	0.238	C	C	.	.			trans	-73.6	164.9	173.7	32.7	-37.9	0	0	0	112.3	D129 E130 H135 S139 R140 F141	D129-P137 HydrophobicContact CB-CB 4.41Å; D129-P137 WeakPolarHBondContact OD2-CB 3.29Å; E130-P137 HydrophobicContact CB-CG 3.93Å; H135-P137 VanDerWaalsContact C-CD 3.49Å; H135-P137 VanDerWaalsContact O-CD 3.31Å; H135-P137 WeakPolarHBondContact O-CD 3.38Å; P137-S139 WeakPolarHBondContact CG-OG 3.37Å; P137-S139 PolarHBondContact O-N 3.22Å; P137-R140 HydrophobicContact CG-CB 3.77Å; P137-R140 PolarHBondContact O-N 2.95Å; P137-R140 VanDerWaalsContact O-N 3.15Å; P137-F141 WeakPolarHBondContact O-CD2 3.32Å; P137-F141 PolarHBondContact O-N 2.92Å
138	S	94.4	Very high	95	Very high	72 Å²	72	43.3 Å²	43.3	50%	0.503	24%	0.236	S	C	.	.	H	α-helix	trans	-55.9	-34.4	176.2	-60.4	0	0	0	0	113.3	A142 F264	S138-A142 WeakPolarHBondContact O-CB 3.28Å; S138-A142 PolarHBondContact O-N 2.89Å; S138-F264 WeakPolarHBondContact O-CE1 3.05Å
139	S	95.4	Very high	95.3	Very high	36 Å²	36	37.7 Å²	37.7	25%	0.252	20%	0.198	S	C	.	.	H	α-helix	trans	-62.2	-49.1	175.5	60.9	0	0	0	0	112.4	Y127 D129 P137 A142 H143	Y127-S139 WeakPolarHBondContact CD1-OG 3.49Å; D129-S139 VanDerWaalsContact CG-OG 3.28Å; D129-S139 VanDerWaalsContact OD1-CB 3.25Å; D129-S139 WeakPolarHBondContact OD1-CB 3.5Å; D129-S139 PolarHBondContact OD1-OG 2.99Å; D129-S139 PolarHBondContact OD2-OG 3.48Å; P137-S139 WeakPolarHBondContact CG-OG 3.37Å; P137-S139 PolarHBondContact O-N 3.22Å; S139-A142 PolarHBondContact O-N 3.33Å; S139-H143 PolarHBondContact O-N 3.43Å
140	R	95.1	Very high	95.4	Very high	14 Å²	14	34.4 Å²	34.4	5%	0.053	18%	0.182	C	C	.	.	H	α-helix	trans	-61.8	-45.8	175.2	-173.9	-173.2	179.5	158.4	0.4	111.3	Y127 P133 H135 W136 P137 A142 H143 V144	Y127-R140 HydrophobicContact CD1-CB 4.35Å; Y127-R140 HydrophobicContact CD2-CB 4.14Å; Y127-R140 HydrophobicContact CD2-CG 4.41Å; Y127-R140 HydrophobicContact CE1-CB 4.13Å; Y127-R140 HydrophobicContact CE2-CB 3.94Å; Y127-R140 HydrophobicContact CE2-CG 3.91Å; Y127-R140 HydrophobicContact CG-CB 4.33Å; P133-R140 PolarHBondContact O-NH1 3.47Å; H135-R140 WeakPolarHBondContact O-CD 3.45Å; H135-R140 PolarHBondContact O-NH1 3.34Å; W136-R140 HydrophobicContact CE3-CG 4.17Å; W136-R140 HydrophobicContact CZ3-CG 4.48Å; P137-R140 HydrophobicContact CG-CB 3.77Å; P137-R140 PolarHBondContact O-N 2.95Å; P137-R140 VanDerWaalsContact O-N 3.15Å; R140-A142 VanDerWaalsContact C-N 3.33Å; R140-A142 PolarHBondContact O-N 3.06Å; R140-H143 PolarHBondContact O-N 2.92Å; R140-H143 VanDerWaalsContact O-N 3.16Å; R140-V144 HydrophobicContact CG-CG2 4.32Å; R140-V144 WeakPolarHBondContact O-CG2 3.33Å; R140-V144 PolarHBondContact O-N 2.85Å
141	F	95.8	Very high	95.7	Very high	19 Å²	19	33 Å²	33	8%	0.083	18%	0.175	C	C	.	.	H	α-helix	trans	-56.2	-47	173.7	-74.9	-50.5	0	0	0	111.8	W136 P137 H143 M145 F264 D265 D266	W136-F141 HydrophobicContact CB-CE1 3.95Å; W136-F141 HydrophobicContact CB-CE2 4.01Å; W136-F141 HydrophobicContact CB-CZ 3.57Å; W136-F141 HydrophobicContact CD2-CE1 4.06Å; W136-F141 AromaticContact CE3-CD1 3.64Å; W136-F141 HydrophobicContact CE3-CD1 3.64Å; W136-F141 AromaticContact CE3-CE1 3.45Å; W136-F141 HydrophobicContact CE3-CE1 3.45Å; W136-F141 VanDerWaalsContact CE3-CE1 3.45Å; W136-F141 HydrophobicContact CE3-CZ 4.29Å; W136-F141 HydrophobicContact CG-CE1 4.31Å; W136-F141 HydrophobicContact CG-CZ 4.34Å; W136-F141 HydrophobicContact CZ3-CD1 4.21Å; W136-F141 HydrophobicContact CZ3-CE1 4.23Å; W136-F141 WeakPolarHBondContact O-CE2 3.36Å; P137-F141 WeakPolarHBondContact O-CD2 3.32Å; P137-F141 PolarHBondContact O-N 2.92Å; F141-H143 VanDerWaalsContact C-N 3.31Å; F141-H143 PolarHBondContact O-N 3.49Å; F141-M145 HydrophobicContact CB-CE 4.18Å; F141-M145 WeakPolarHBondContact O-CB 3.39Å; F141-M145 WeakPolarHBondContact O-CE 3.19Å; F141-M145 WeakPolarHBondContact O-CG 3.34Å; F141-M145 PolarHBondContact O-N 2.99Å; F141-F264 HydrophobicContact CB-CD1 4Å; F141-F264 HydrophobicContact CB-CE1 3.91Å; F141-F264 WeakPolarHBondContact CD2-O 3.37Å; F141-D265 HydrophobicContact CE1-CB 4.3Å; F141-D265 HydrophobicContact CE2-CB 4.48Å; F141-D265 HydrophobicContact CZ-CB 4.14Å; F141-D265 WeakPolarHBondContact CZ-OD2 3Å; F141-D266 HydrophobicContact CD1-CB 4.15Å; F141-D266 WeakPolarHBondContact CD1-OD1 3.22Å; F141-D266 WeakPolarHBondContact CE1-OD1 3.38Å
142	A	96.7	Very high	95.9	Very high	16 Å²	16	27 Å²	27	13%	0.132	15%	0.145	C	C	.	.	H	α-helix	trans	-63.5	-35.8	178.1	0	0	0	0	0	112.6	S138 S139 R140 K146 F264	S138-A142 WeakPolarHBondContact O-CB 3.28Å; S138-A142 PolarHBondContact O-N 2.89Å; S139-A142 PolarHBondContact O-N 3.33Å; R140-A142 VanDerWaalsContact C-N 3.33Å; R140-A142 PolarHBondContact O-N 3.06Å; A142-K146 WeakPolarHBondContact O-CD 3.49Å; A142-K146 WeakPolarHBondContact O-CG 3.48Å; A142-K146 PolarHBondContact O-N 3.33Å; A142-F264 HydrophobicContact CB-CE1 3.91Å; A142-F264 HydrophobicContact CB-CZ 3.94Å
143	H	96.3	Very high	96.2	Very high	43 Å²	43	32.5 Å²	32.5	20%	0.199	16%	0.16	C	C	.	.	H	α-helix	trans	-71.8	-50.8	177.5	-170.9	91	0	0	0	112.1	D92 M121 Y127 S139 R140 F141 M145 K146 L147	D92-H143 IonicContact OD1-CD2 2.86Å; D92-H143 IonicContact OD1-NE2 3.79Å; M121-H143 VanDerWaalsContact SD-CE1 3.54Å; Y127-H143 HydrophobicContact CE1-CB 4.13Å; Y127-H143 WeakPolarHBondContact OH-CB 3.43Å; Y127-H143 PolarHBondContact OH-CD2 2.96Å; Y127-H143 VanDerWaalsContact OH-CD2 3.32Å; S139-H143 PolarHBondContact O-N 3.43Å; R140-H143 PolarHBondContact O-N 2.92Å; R140-H143 VanDerWaalsContact O-N 3.16Å; F141-H143 VanDerWaalsContact C-N 3.31Å; F141-H143 PolarHBondContact O-N 3.49Å; H143-M145 VanDerWaalsContact C-N 3.3Å; H143-M145 PolarHBondContact O-N 3.33Å; H143-K146 WeakPolarHBondContact O-CA 3.44Å; H143-K146 WeakPolarHBondContact O-CB 3.37Å; H143-K146 PolarHBondContact O-N 3.33Å; H143-L147 WeakPolarHBondContact NE2-CD1 3.21Å; H143-L147 PolarHBondContact O-N 3.04Å
144	V	95.9	Very high	96.5	Very high	8 Å²	8	31 Å²	31	5%	0.048	15%	0.151	C	C	.	.	H	α-helix	trans	-58.9	-40.7	178	172.3	0	0	0	0	111.4	L60 W136 R140 K146 L147 R148	L60-V144 HydrophobicContact CD1-CG1 4.13Å; W136-V144 HydrophobicContact CH2-CG2 4.49Å; W136-V144 HydrophobicContact CZ3-CB 4.46Å; W136-V144 HydrophobicContact CZ3-CG1 4.44Å; W136-V144 HydrophobicContact CZ3-CG2 4.06Å; R140-V144 HydrophobicContact CG-CG2 4.32Å; R140-V144 WeakPolarHBondContact O-CG2 3.33Å; R140-V144 PolarHBondContact O-N 2.85Å; V144-K146 PolarHBondContact O-N 3.18Å; V144-L147 PolarHBondContact O-N 2.91Å; V144-R148 PolarHBondContact O-N 3.25Å
145	M	97.8	Very high	96.8	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-62.6	-38.8	173.3	-76.1	-171.1	-80.3	0	0	112.9	F141 H143 Q149 Y254 F264 D266 V269	F141-M145 HydrophobicContact CB-CE 4.18Å; F141-M145 WeakPolarHBondContact O-CB 3.39Å; F141-M145 WeakPolarHBondContact O-CE 3.19Å; F141-M145 WeakPolarHBondContact O-CG 3.34Å; F141-M145 PolarHBondContact O-N 2.99Å; H143-M145 VanDerWaalsContact C-N 3.3Å; H143-M145 PolarHBondContact O-N 3.33Å; M145-Q149 VanDerWaalsContact O-CB 3.31Å; M145-Q149 WeakPolarHBondContact O-CB 3.48Å; M145-Q149 PolarHBondContact O-N 3.22Å; M145-Y254 HydrophobicContact CB-CD2 4.07Å; M145-F264 HydrophobicContact CE-CD1 4.17Å; M145-F264 HydrophobicContact CE-CD2 4.45Å; M145-F264 HydrophobicContact CE-CE1 3.5Å; M145-F264 HydrophobicContact CE-CE2 3.84Å; M145-F264 HydrophobicContact CE-CZ 3.32Å; M145-D266 HydrophobicContact CG-CB 3.67Å; M145-D266 HydrophobicContact SD-CB 4.38Å; M145-V269 HydrophobicContact CE-CG2 4.34Å; M145-V269 HydrophobicContact SD-CB 3.7Å; M145-V269 HydrophobicContact SD-CG1 3.67Å; M145-V269 HydrophobicContact SD-CG2 3.88Å
146	K	98	Very high	97	Very high	99 Å²	99	30.9 Å²	30.9	43%	0.43	15%	0.147	S	C	.	.	H	α-helix	trans	-65.8	-38.4	173.8	-72.6	164.5	-173.4	175	0	112.1	A142 H143 V144 Q149 A150 Y254	A142-K146 WeakPolarHBondContact O-CD 3.49Å; A142-K146 WeakPolarHBondContact O-CG 3.48Å; A142-K146 PolarHBondContact O-N 3.33Å; H143-K146 WeakPolarHBondContact O-CA 3.44Å; H143-K146 WeakPolarHBondContact O-CB 3.37Å; H143-K146 PolarHBondContact O-N 3.33Å; V144-K146 PolarHBondContact O-N 3.18Å; K146-Q149 PolarHBondContact O-N 3.48Å; K146-A150 WeakPolarHBondContact O-CB 3.23Å; K146-A150 PolarHBondContact O-N 3.32Å; K146-Y254 HydrophobicContact CD-CD1 4.44Å; K146-Y254 HydrophobicContact CD-CE1 4.21Å; K146-Y254 WeakPolarHBondContact CE-OH 3.45Å; K146-Y254 HydrophobicContact CG-CD1 3.54Å; K146-Y254 HydrophobicContact CG-CD2 4.14Å; K146-Y254 HydrophobicContact CG-CE1 3.8Å; K146-Y254 HydrophobicContact CG-CE2 4.37Å; K146-Y254 HydrophobicContact CG-CG 3.72Å
147	L	97.9	Very high	97.2	Very high	21 Å²	21	33.5 Å²	33.5	11%	0.11	16%	0.163	C	C	.	.	H	α-helix	trans	-65.3	-49.4	174.7	-66.8	179.7	0	0	0	111.3	L60 W88 A90 D92 H143 V144 Q149 A150 A151	L60-L147 HydrophobicContact CD1-CB 4.33Å; L60-L147 HydrophobicContact CD2-CB 3.89Å; L60-L147 HydrophobicContact CD2-CD1 4.13Å; W88-L147 HydrophobicContact CH2-CB 4.26Å; W88-L147 HydrophobicContact CH2-CD2 4.15Å; W88-L147 WeakPolarHBondContact CH2-O 3.42Å; A90-L147 HydrophobicContact CB-CD1 4.3Å; A90-L147 HydrophobicContact CB-CD2 4.26Å; D92-L147 HydrophobicContact CB-CD1 4.48Å; H143-L147 WeakPolarHBondContact NE2-CD1 3.21Å; H143-L147 PolarHBondContact O-N 3.04Å; V144-L147 PolarHBondContact O-N 2.91Å; L147-Q149 VanDerWaalsContact C-N 3.29Å; L147-Q149 PolarHBondContact O-N 3.41Å; L147-A150 WeakPolarHBondContact O-CB 3.34Å; L147-A150 PolarHBondContact O-N 2.89Å; L147-A151 PolarHBondContact O-N 3.29Å
148	R	98.3	Very high	97.3	Very high	6 Å²	6	37.7 Å²	37.7	2%	0.023	18%	0.18	C	C	.	.	H	α-helix	trans	-59.8	-38.5	175.5	-70.2	-168.7	177.2	152.9	1.2	112.1	L60 V144 A151 L152 F165 D167 F253 D266	L60-R148 HydrophobicContact CD1-CG 3.6Å; V144-R148 PolarHBondContact O-N 3.25Å; R148-A151 PolarHBondContact O-N 3.13Å; R148-L152 WeakPolarHBondContact O-CB 3.23Å; R148-L152 PolarHBondContact O-N 2.95Å; R148-F165 HydrophobicContact CB-CD1 4.43Å; R148-F165 HydrophobicContact CB-CE1 3.78Å; R148-F165 HydrophobicContact CB-CZ 4.37Å; R148-F165 HydrophobicContact CG-CD1 4.05Å; R148-F165 HydrophobicContact CG-CE1 3.87Å; R148-D167 IonicContact CZ-OD1 2.7Å; R148-D167 IonicContact NH2-OD1 3.57Å; R148-D167 PolarHBondContact NH2-OD1 3.43Å; R148-D167 IonicContact NH2-OD2 3.68Å; R148-D167 PolarHBondContact NH2-OD2 3.17Å; R148-F253 HydrophobicContact CB-CB 4.19Å; R148-F253 HydrophobicContact CB-CD1 3.77Å; R148-F253 HydrophobicContact CB-CD2 3.98Å; R148-F253 HydrophobicContact CB-CE1 4.07Å; R148-F253 HydrophobicContact CB-CE2 4.26Å; R148-F253 HydrophobicContact CB-CG 3.72Å; R148-F253 HydrophobicContact CB-CZ 4.3Å; R148-D266 IonicContact CZ-OD2 3.81Å; R148-D266 IonicContact NH1-OD2 3.72Å; R148-D266 PolarHBondContact NH1-OD2 3.32Å; R148-D266 IonicContact NH2-OD2 3.69Å
149	Q	98.6	Very high	97.4	Very high	14 Å²	14	45 Å²	45	7%	0.065	20%	0.197	C	C	.	.	H	α-helix	trans	-64.6	-39.5	173.1	-173.8	61.2	60.2	0	0	113	M145 K146 L147 L152 R153 F253 Y254	M145-Q149 VanDerWaalsContact O-CB 3.31Å; M145-Q149 WeakPolarHBondContact O-CB 3.48Å; M145-Q149 PolarHBondContact O-N 3.22Å; K146-Q149 PolarHBondContact O-N 3.48Å; L147-Q149 VanDerWaalsContact C-N 3.29Å; L147-Q149 PolarHBondContact O-N 3.41Å; Q149-L152 PolarHBondContact O-N 3.4Å; Q149-R153 PolarHBondContact O-N 3.15Å; Q149-F253 HydrophobicContact CB-CB 4.16Å; Q149-Y254 WeakPolarHBondContact CG-O 3.32Å; Q149-Y254 VanDerWaalsContact OE1-N 3.11Å; Q149-Y254 PolarHBondContact OE1-O 3.4Å
150	A	98.5	Very high	97.5	Very high	7 Å²	7	43.8 Å²	43.8	6%	0.058	19%	0.188	C	C	.	.	H	α-helix	trans	-64.7	-46.1	177.2	0	0	0	0	0	110.9	W88 K146 L147 L152 R153 T154	W88-A150 HydrophobicContact CH2-CB 4.16Å; W88-A150 HydrophobicContact CZ2-CB 3.74Å; K146-A150 WeakPolarHBondContact O-CB 3.23Å; K146-A150 PolarHBondContact O-N 3.32Å; L147-A150 WeakPolarHBondContact O-CB 3.34Å; L147-A150 PolarHBondContact O-N 2.89Å; A150-L152 PolarHBondContact O-N 2.74Å; A150-R153 PolarHBondContact O-N 3.42Å; A150-T154 PolarHBondContact O-N 3.48Å; A150-T154 PolarHBondContact O-OG1 2.96Å; A150-T154 VanDerWaalsContact O-OG1 3.07Å
151	A	98.6	Very high	97.7	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-58.7	-43.6	174.6	0	0	0	0	0	112.6	A58 W88 L147 R148 R153 T154 A155 I163 F165	A58-A151 HydrophobicContact CB-CB 3.75Å; W88-A151 HydrophobicContact CD2-CB 3.7Å; W88-A151 HydrophobicContact CE3-CB 3.69Å; W88-A151 HydrophobicContact CG-CB 4.21Å; W88-A151 HydrophobicContact CH2-CB 4.32Å; W88-A151 HydrophobicContact CZ2-CB 4.33Å; W88-A151 HydrophobicContact CZ3-CB 4.03Å; L147-A151 PolarHBondContact O-N 3.29Å; R148-A151 PolarHBondContact O-N 3.13Å; A151-R153 PolarHBondContact O-N 2.95Å; A151-T154 PolarHBondContact O-N 3.07Å; A151-A155 PolarHBondContact O-N 3.37Å; A151-I163 HydrophobicContact CB-CD1 4.24Å; A151-F165 HydrophobicContact CB-CE1 4.14Å; A151-F165 HydrophobicContact CB-CZ 4.49Å
152	L	98.7	Very high	97.9	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-61.4	-41.3	176.1	-179.8	60.3	0	0	0	112.4	R148 Q149 A150 R156 I163 F165 L243 L251 F253	R148-L152 WeakPolarHBondContact O-CB 3.23Å; R148-L152 PolarHBondContact O-N 2.95Å; Q149-L152 PolarHBondContact O-N 3.4Å; A150-L152 PolarHBondContact O-N 2.74Å; L152-R156 PolarHBondContact O-N 3Å; L152-I163 HydrophobicContact CD1-CG2 4.07Å; L152-F165 HydrophobicContact CB-CZ 4.28Å; L152-L243 HydrophobicContact CD1-CD2 3.72Å; L152-L251 HydrophobicContact CD2-CB 4.47Å; L152-F253 HydrophobicContact CB-CD2 4.49Å; L152-F253 HydrophobicContact CB-CE2 4.48Å; L152-F253 HydrophobicContact CD2-CD2 4.04Å; L152-F253 HydrophobicContact CD2-CE2 4.1Å
153	R	98.4	Very high	98	Very high	131 Å²	131	43.9 Å²	43.9	49%	0.494	19%	0.188	S	C	.	.	H	α-helix	trans	-65	-46.9	173.8	-73.9	-171	-59.6	-133.4	-1.2	111.4	Q149 A150 A151 A155 R156 E157	Q149-R153 PolarHBondContact O-N 3.15Å; A150-R153 PolarHBondContact O-N 3.42Å; A151-R153 PolarHBondContact O-N 2.95Å; R153-A155 VanDerWaalsContact C-N 3.29Å; R153-A155 PolarHBondContact O-N 3.43Å; R153-R156 PolarHBondContact O-N 3.45Å; R153-R156 VanDerWaalsContact O-N 3.1Å; R153-E157 WeakPolarHBondContact O-CG 3.37Å; R153-E157 PolarHBondContact O-N 2.76Å
154	T	98.4	Very high	98.1	Very high	4 Å²	4	41.9 Å²	41.9	3%	0.025	18%	0.179	C	C	.	.	H	α-helix	trans	-58.1	-40.8	178.1	-58.2	0	0	0	0	111.7	L56 W88 Y115 E117 A150 A151 R156 E157 K158	L56-T154 HydrophobicContact CD1-CG2 4.12Å; W88-T154 PolarHBondContact NE1-OG1 3Å; Y115-T154 HydrophobicContact CE1-CG2 4.37Å; E117-T154 WeakPolarHBondContact OE2-CG2 3.42Å; A150-T154 PolarHBondContact O-N 3.48Å; A150-T154 PolarHBondContact O-OG1 2.96Å; A150-T154 VanDerWaalsContact O-OG1 3.07Å; A151-T154 PolarHBondContact O-N 3.07Å; T154-R156 VanDerWaalsContact C-N 3.35Å; T154-R156 PolarHBondContact O-N 3.45Å; T154-E157 PolarHBondContact O-N 3.12Å; T154-K158 HydrophobicContact CG2-CG 4.03Å; T154-K158 WeakPolarHBondContact O-CB 3.45Å; T154-K158 VanDerWaalsContact O-CG 3.25Å; T154-K158 WeakPolarHBondContact O-CG 3.4Å; T154-K158 PolarHBondContact O-N 2.83Å
155	A	98.6	Very high	98.2	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-60.3	-42.4	176.3	0	0	0	0	0	112.6	L56 A151 R153 K158 W159 S160 I163 L243	L56-A155 HydrophobicContact CB-CB 3.98Å; L56-A155 HydrophobicContact CD1-CB 4.05Å; L56-A155 HydrophobicContact CD2-CB 4.3Å; L56-A155 HydrophobicContact CG-CB 4.34Å; A151-A155 PolarHBondContact O-N 3.37Å; R153-A155 VanDerWaalsContact C-N 3.29Å; R153-A155 PolarHBondContact O-N 3.43Å; A155-K158 CarbonylContact O-C 3.47Å; A155-K158 PolarHBondContact O-N 3.2Å; A155-W159 PolarHBondContact O-N 2.79Å; A155-S160 WeakPolarHBondContact O-CB 3.45Å; A155-S160 PolarHBondContact O-N 3.44Å; A155-S160 PolarHBondContact O-OG 3.02Å; A155-I163 HydrophobicContact CB-CB 4.05Å; A155-I163 HydrophobicContact CB-CD1 3.97Å; A155-I163 HydrophobicContact CB-CG1 4.39Å; A155-L243 HydrophobicContact CB-CD1 3.57Å
156	R	98.1	Very high	98.2	Very high	77 Å²	77	41.9 Å²	41.9	29%	0.291	18%	0.179	S	C	.	.	H	α-helix	trans	-66.2	-45.6	173.9	-64.9	-178.9	-173.8	156.7	5.1	111.8	L152 R153 T154 K158 W159 S248 D249 L251	L152-R156 PolarHBondContact O-N 3Å; R153-R156 PolarHBondContact O-N 3.45Å; R153-R156 VanDerWaalsContact O-N 3.1Å; T154-R156 VanDerWaalsContact C-N 3.35Å; T154-R156 PolarHBondContact O-N 3.45Å; R156-K158 PolarHBondContact O-N 2.73Å; R156-W159 PolarHBondContact O-N 3.47Å; R156-S248 PolarHBondContact NH2-O 3.3Å; R156-D249 IonicContact NE-OD1 2.76Å; R156-D249 PolarHBondContact NH1-O 2.63Å; R156-D249 PolarHBondContact NH2-O 3.19Å; R156-L251 PolarHBondContact NH2-O 3.31Å
157	E	97.4	Very high	98.2	Very high	130 Å²	130	38.4 Å²	38.4	61%	0.607	17%	0.165	S	C	*	.	H	α-helix	trans	-61.9	-28.6	177.3	-70.4	164.6	-161	0	0	113.2	R153 T154	R153-E157 WeakPolarHBondContact O-CG 3.37Å; R153-E157 PolarHBondContact O-N 2.76Å; T154-E157 PolarHBondContact O-N 3.12Å
158	K	96.5	Very high	98.2	Very high	95 Å²	95	37.9 Å²	37.9	41%	0.413	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.7	9.9	175.5	-61.8	-56.8	-173.1	-174.5	0	113.8	Y115 T154 A155 R156 S160	Y115-K158 HydrophobicContact CD1-CG 4.34Å; Y115-K158 HydrophobicContact CE1-CD 4.4Å; Y115-K158 HydrophobicContact CE1-CG 4.27Å; Y115-K158 VanDerWaalsContact CZ-CE 3.46Å; T154-K158 HydrophobicContact CG2-CG 4.03Å; T154-K158 WeakPolarHBondContact O-CB 3.45Å; T154-K158 VanDerWaalsContact O-CG 3.25Å; T154-K158 WeakPolarHBondContact O-CG 3.4Å; T154-K158 PolarHBondContact O-N 2.83Å; A155-K158 CarbonylContact O-C 3.47Å; A155-K158 PolarHBondContact O-N 3.2Å; R156-K158 PolarHBondContact O-N 2.73Å; K158-S160 PolarHBondContact O-N 2.73Å
159	W	96.5	Very high	98.1	Very high	226 Å²	226	39.8 Å²	39.8	86%	0.856	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.3	37.2	179.5	-56.9	89.4	0	0	0	113.6	T54 A155 R156	T54-W159 PolarHBondContact OG1-O 2.73Å; A155-W159 PolarHBondContact O-N 2.79Å; R156-W159 PolarHBondContact O-N 3.47Å
160	S	98.3	Very high	98	Very high	10 Å²	10	39.3 Å²	39.3	7%	0.07	17%	0.171	C	C	.	.			trans	-73.4	128	176.7	-58.4	0	0	0	0	110.6	T54 A155 K158 Y162 L243	T54-S160 WeakPolarHBondContact OG1-CA 3.47Å; A155-S160 WeakPolarHBondContact O-CB 3.45Å; A155-S160 PolarHBondContact O-N 3.44Å; A155-S160 PolarHBondContact O-OG 3.02Å; K158-S160 PolarHBondContact O-N 2.73Å; S160-Y162 VanDerWaalsContact C-N 3.26Å; S160-Y162 PolarHBondContact O-N 3.44Å; S160-L243 WeakPolarHBondContact O-CD1 3.38Å
161	D	98.7	Very high	98	Very high	44 Å²	44	39 Å²	39	24%	0.235	17%	0.168	C	C	.	.	S	Bend	trans	-64.6	-33.7	177.8	-64.9	-75.6	0	0	0	111.8	P53 T54 L243 R244	P53-D161 HydrophobicContact CB-CB 3.76Å; T54-D161 PolarHBondContact N-OD2 3.45Å; T54-D161 WeakPolarHBondContact O-CB 3.49Å; T54-D161 PolarHBondContact O-N 2.83Å; T54-D161 VanDerWaalsContact O-N 3.17Å; T54-D161 PolarHBondContact OG1-N 2.97Å; T54-D161 PolarHBondContact OG1-OD2 3.12Å; D161-L243 PolarHBondContact O-N 3.38Å; D161-R244 HydrophobicContact CB-CG 3.99Å; D161-R244 VanDerWaalsContact OD1-CD 3.26Å; D161-R244 WeakPolarHBondContact OD1-CD 3.28Å
162	Y	98.9	Very high	98	Very high	6 Å²	6	39.2 Å²	39.2	2%	0.024	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	157.3	177.2	-64	-97.5	0	0	0	112.2	P53 T54 V55 L56 S160 I182 L240 I241 D242 R244	P53-Y162 HydrophobicContact CB-CD2 3.78Å; P53-Y162 HydrophobicContact CB-CE2 3.63Å; P53-Y162 HydrophobicContact CG-CE2 3.9Å; T54-Y162 PolarHBondContact O-N 2.77Å; V55-Y162 WeakPolarHBondContact CA-O 3.42Å; L56-Y162 PolarHBondContact N-O 2.85Å; S160-Y162 VanDerWaalsContact C-N 3.26Å; S160-Y162 PolarHBondContact O-N 3.44Å; Y162-I182 HydrophobicContact CD1-CG1 4.38Å; Y162-I182 HydrophobicContact CD2-CD1 4.31Å; Y162-I182 HydrophobicContact CD2-CG1 4.25Å; Y162-I182 HydrophobicContact CE1-CG1 4.02Å; Y162-I182 HydrophobicContact CE2-CD1 4.19Å; Y162-I182 HydrophobicContact CE2-CG1 3.9Å; Y162-I182 HydrophobicContact CE2-CG2 4.32Å; Y162-I182 HydrophobicContact CG-CG1 4.47Å; Y162-L240 HydrophobicContact CD1-CD1 4.23Å; Y162-L240 HydrophobicContact CD1-CD2 3.63Å; Y162-L240 HydrophobicContact CD1-CG 3.79Å; Y162-L240 HydrophobicContact CE1-CD2 3.92Å; Y162-L240 HydrophobicContact CG-CD1 4.4Å; Y162-L240 HydrophobicContact CG-CD2 4.36Å; Y162-L240 HydrophobicContact CG-CG 4.44Å; Y162-I241 VanDerWaalsContact CA-O 3.25Å; Y162-I241 WeakPolarHBondContact CA-O 3.24Å; Y162-I241 WeakPolarHBondContact CD1-O 3.44Å; Y162-D242 HydrophobicContact CD1-CB 3.86Å; Y162-D242 HydrophobicContact CE1-CB 3.59Å; Y162-R244 VanDerWaalsContact CZ-NH2 3.3Å; Y162-R244 PolarHBondContact OH-NH2 3.41Å
163	I	98.9	Very high	97.9	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	126.8	163.8	-178.4	171.8	0	0	0	110.4	L56 A58 A151 L152 A155 F165 L240 I241 L243	L56-I163 HydrophobicContact CD2-CD1 3.73Å; L56-I163 HydrophobicContact CD2-CG1 3.83Å; L56-I163 CarbonylContact O-C 3.47Å; L56-I163 VanDerWaalsContact O-CA 3.27Å; L56-I163 WeakPolarHBondContact O-CA 3.35Å; A58-I163 HydrophobicContact CB-CD1 4.32Å; A151-I163 HydrophobicContact CB-CD1 4.24Å; L152-I163 HydrophobicContact CD1-CG2 4.07Å; A155-I163 HydrophobicContact CB-CB 4.05Å; A155-I163 HydrophobicContact CB-CD1 3.97Å; A155-I163 HydrophobicContact CB-CG1 4.39Å; I163-F165 HydrophobicContact CD1-CD2 4.35Å; I163-F165 HydrophobicContact CD1-CE1 4.09Å; I163-F165 HydrophobicContact CD1-CE2 3.57Å; I163-F165 HydrophobicContact CD1-CZ 3.43Å; I163-F165 VanDerWaalsContact CD1-CZ 3.43Å; I163-F165 HydrophobicContact CG1-CD2 4.25Å; I163-F165 HydrophobicContact CG1-CE2 3.9Å; I163-F165 HydrophobicContact CG1-CZ 4.2Å; I163-F165 HydrophobicContact CG2-CE2 4.03Å; I163-L240 WeakPolarHBondContact O-CA 3.34Å; I163-I241 HydrophobicContact CG2-CB 3.76Å; I163-I241 HydrophobicContact CG2-CD1 4.08Å; I163-I241 HydrophobicContact CG2-CG1 4.12Å; I163-I241 PolarHBondContact N-O 3.44Å; I163-I241 PolarHBondContact O-N 3.21Å; I163-L243 HydrophobicContact CB-CD1 4.08Å; I163-L243 HydrophobicContact CG2-CD1 3.87Å; I163-L243 HydrophobicContact CG2-CD2 3.92Å; I163-L243 HydrophobicContact CG2-CG 4Å
164	L	98.9	Very high	97.9	Very high	2 Å²	2	36.5 Å²	36.5	1%	0.01	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	112.5	170.9	176.6	63.9	0	0	0	108.4	V55 L56 V57 A58 I166 L172 T238 L240	V55-L164 HydrophobicContact CG1-CB 4.3Å; L56-L164 PolarHBondContact O-N 3.08Å; V57-L164 WeakPolarHBondContact CA-O 3.13Å; V57-L164 HydrophobicContact CG1-CD2 4.23Å; V57-L164 HydrophobicContact CG1-CG 4.49Å; V57-L164 HydrophobicContact CG2-CB 4.4Å; V57-L164 HydrophobicContact CG2-CD2 4.31Å; A58-L164 PolarHBondContact N-O 3Å; L164-I166 HydrophobicContact CG-CB 4.41Å; L164-L172 HydrophobicContact CD2-CD1 4.44Å; L164-T238 HydrophobicContact CD1-CG2 4.15Å; L164-L240 HydrophobicContact CB-CD1 3.92Å; L164-L240 HydrophobicContact CD1-CD1 4.41Å
165	F	98.8	Very high	97.9	Very high	3 Å²	3	38.9 Å²	38.9	1%	0.013	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	132.1	163.4	-73.7	-80.1	0	0	0	108.7	A58 R148 A151 L152 I163 T238 F239 I241 F253	A58-F165 HydrophobicContact CB-CD1 3.69Å; A58-F165 HydrophobicContact CB-CE1 3.77Å; A58-F165 HydrophobicContact CB-CG 4.46Å; R148-F165 HydrophobicContact CB-CD1 4.43Å; R148-F165 HydrophobicContact CB-CE1 3.78Å; R148-F165 HydrophobicContact CB-CZ 4.37Å; R148-F165 HydrophobicContact CG-CD1 4.05Å; R148-F165 HydrophobicContact CG-CE1 3.87Å; A151-F165 HydrophobicContact CB-CE1 4.14Å; A151-F165 HydrophobicContact CB-CZ 4.49Å; L152-F165 HydrophobicContact CB-CZ 4.28Å; I163-F165 HydrophobicContact CD1-CD2 4.35Å; I163-F165 HydrophobicContact CD1-CE1 4.09Å; I163-F165 HydrophobicContact CD1-CE2 3.57Å; I163-F165 HydrophobicContact CD1-CZ 3.43Å; I163-F165 VanDerWaalsContact CD1-CZ 3.43Å; I163-F165 HydrophobicContact CG1-CD2 4.25Å; I163-F165 HydrophobicContact CG1-CE2 3.9Å; I163-F165 HydrophobicContact CG1-CZ 4.2Å; I163-F165 HydrophobicContact CG2-CE2 4.03Å; F165-T238 VanDerWaalsContact O-CA 3.28Å; F165-T238 WeakPolarHBondContact O-CA 3.37Å; F165-F239 HydrophobicContact CB-CD1 4.46Å; F165-F239 HydrophobicContact CB-CD2 4.45Å; F165-F239 HydrophobicContact CB-CE1 4.07Å; F165-F239 HydrophobicContact CB-CE2 4.07Å; F165-F239 HydrophobicContact CB-CZ 3.87Å; F165-F239 HydrophobicContact CD2-CD2 4.3Å; F165-F239 AromaticContact CD2-CE2 3.57Å; F165-F239 HydrophobicContact CD2-CE2 3.57Å; F165-F239 AromaticContact CD2-CZ 3.92Å; F165-F239 HydrophobicContact CD2-CZ 3.92Å; F165-F239 HydrophobicContact CE2-CE2 4.41Å; F165-F239 HydrophobicContact CG-CE2 4.1Å; F165-F239 HydrophobicContact CG-CZ 4.02Å; F165-F239 PolarHBondContact N-O 2.92Å; F165-F239 PolarHBondContact O-N 2.93Å; F165-I241 HydrophobicContact CD2-CD1 4.14Å; F165-I241 HydrophobicContact CE2-CD1 3.82Å; F165-F253 HydrophobicContact CD2-CE2 4.4Å; F165-F253 HydrophobicContact CD2-CZ 4.02Å; F165-F253 HydrophobicContact CE1-CE2 4.24Å; F165-F253 HydrophobicContact CE1-CZ 4.27Å; F165-F253 AromaticContact CE2-CE2 3.56Å; F165-F253 HydrophobicContact CE2-CE2 3.56Å; F165-F253 AromaticContact CE2-CZ 3.62Å; F165-F253 HydrophobicContact CE2-CZ 3.62Å; F165-F253 HydrophobicContact CG-CZ 4.48Å; F165-F253 HydrophobicContact CZ-CD2 4.35Å; F165-F253 AromaticContact CZ-CE2 3.45Å; F165-F253 HydrophobicContact CZ-CE2 3.45Å; F165-F253 VanDerWaalsContact CZ-CE2 3.45Å; F165-F253 AromaticContact CZ-CZ 3.76Å; F165-F253 HydrophobicContact CZ-CZ 3.76Å
166	I	98.3	Very high	97.9	Very high	5 Å²	5	42.3 Å²	42.3	3%	0.026	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	116.1	179.3	-169.2	178.8	0	0	0	110.3	V57 A58 V59 F71 L164 N170 L172 S237 T238	V57-I166 HydrophobicContact CG1-CG2 3.62Å; A58-I166 PolarHBondContact O-N 3.23Å; V59-I166 HydrophobicContact CG2-CG2 4.44Å; F71-I166 HydrophobicContact CE2-CD1 3.61Å; F71-I166 HydrophobicContact CE2-CG1 3.81Å; F71-I166 HydrophobicContact CE2-CG2 4.28Å; F71-I166 HydrophobicContact CZ-CD1 4.26Å; F71-I166 HydrophobicContact CZ-CG1 4.42Å; F71-I166 HydrophobicContact CZ-CG2 4.02Å; L164-I166 HydrophobicContact CG-CB 4.41Å; I166-N170 HydrophobicContact CG1-CB 4.42Å; I166-L172 HydrophobicContact CD1-CD1 3.75Å; I166-L172 HydrophobicContact CD1-CG 3.81Å; I166-S237 CarbonylContact C-O 3.53Å; I166-S237 WeakPolarHBondContact CA-O 3.42Å; I166-T238 HydrophobicContact CB-CG2 4.23Å; I166-T238 HydrophobicContact CD1-CG2 4.37Å; I166-T238 HydrophobicContact CG1-CG2 3.92Å
167	D	97.4	Very high	97.9	Very high	26 Å²	26	38.7 Å²	38.7	14%	0.139	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	144.2	172	-64.3	-13.3	0	0	0	109.4	R148 D169 N170 S237	R148-D167 IonicContact CZ-OD1 2.7Å; R148-D167 IonicContact NH2-OD1 3.57Å; R148-D167 PolarHBondContact NH2-OD1 3.43Å; R148-D167 IonicContact NH2-OD2 3.68Å; R148-D167 PolarHBondContact NH2-OD2 3.17Å; D167-D169 WeakPolarHBondContact CB-OD1 3.47Å; D167-D169 PolarHBondContact O-N 2.84Å; D167-D169 VanDerWaalsContact O-N 3.16Å; D167-N170 WeakPolarHBondContact O-CB 3.28Å; D167-N170 PolarHBondContact O-N 3.28Å; D167-S237 PolarHBondContact N-O 3.04Å; D167-S237 WeakPolarHBondContact OD2-CA 3.37Å; D167-S237 WeakPolarHBondContact OD2-CB 3.49Å; D167-S237 PolarHBondContact OD2-OG 3.35Å
168	V	97	Very high	98	Very high	9 Å²	9	32.7 Å²	32.7	6%	0.055	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	0.3	-168.4	-68.5	0	0	0	0	115.6	V59 L60 A61 A64 T67 L68 F71	V59-V168 HydrophobicContact CG1-CG1 3.52Å; L60-V168 WeakPolarHBondContact O-CG1 3.45Å; L60-V168 WeakPolarHBondContact O-CG2 3.44Å; A61-V168 HydrophobicContact CB-CG1 4.01Å; A61-V168 HydrophobicContact CB-CG2 4.13Å; A64-V168 HydrophobicContact CB-CB 4.4Å; A64-V168 HydrophobicContact CB-CG2 3.43Å; A64-V168 VanDerWaalsContact CB-CG2 3.43Å; T67-V168 VanDerWaalsContact CB-O 3.3Å; T67-V168 WeakPolarHBondContact CB-O 3.36Å; T67-V168 PolarHBondContact OG1-O 3.18Å; L68-V168 HydrophobicContact CD2-CB 4.38Å; L68-V168 HydrophobicContact CD2-CG1 4.15Å; F71-V168 WeakPolarHBondContact CB-O 3.36Å; F71-V168 HydrophobicContact CD1-CB 4.27Å; F71-V168 HydrophobicContact CD1-CG1 4.06Å; F71-V168 HydrophobicContact CD2-CB 4.5Å; F71-V168 HydrophobicContact CE1-CB 4.43Å; F71-V168 HydrophobicContact CE1-CG1 3.8Å; F71-V168 HydrophobicContact CE2-CG1 4.49Å; F71-V168 HydrophobicContact CG-CB 4.32Å; F71-V168 HydrophobicContact CZ-CG1 4.03Å
169	D	96	Very high	98.1	Very high	47 Å²	47	30.5 Å²	30.5	25%	0.251	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.7	2.1	170.4	53.3	-11.2	0	0	0	112.7	T67 D167 F171 P293	T67-D169 HydrophobicContact CG2-CB 4.3Å; D167-D169 WeakPolarHBondContact CB-OD1 3.47Å; D167-D169 PolarHBondContact O-N 2.84Å; D167-D169 VanDerWaalsContact O-N 3.16Å; D169-F171 VanDerWaalsContact O-CD2 3.31Å; D169-F171 WeakPolarHBondContact O-CD2 3.43Å; D169-F171 WeakPolarHBondContact O-CE2 3.43Å; D169-P293 HydrophobicContact CB-CG 3.84Å; D169-P293 WeakPolarHBondContact O-CD 3.3Å
170	N	97.9	Very high	98.2	Very high	3 Å²	3	22.4 Å²	22.4	2%	0.016	12%	0.122	C	C	.	.			trans	-101.5	114.4	177.5	-73.3	7.2	0	0	0	112.2	F71 I166 D167 L193 S237 T238 L292	F71-N170 WeakPolarHBondContact CD2-O 3.46Å; I166-N170 HydrophobicContact CG1-CB 4.42Å; D167-N170 WeakPolarHBondContact O-CB 3.28Å; D167-N170 PolarHBondContact O-N 3.28Å; N170-L193 HydrophobicContact CB-CD1 3.71Å; N170-L193 VanDerWaalsContact ND2-CD1 3.34Å; N170-L193 WeakPolarHBondContact ND2-CD1 3.15Å; N170-S237 WeakPolarHBondContact ND2-CB 3.32Å; N170-T238 VanDerWaalsContact CB-OG1 3.28Å; N170-T238 WeakPolarHBondContact CB-OG1 3.4Å; N170-T238 PolarHBondContact ND2-OG1 3.34Å; N170-L292 WeakPolarHBondContact OD1-CB 3.39Å
171	F	98.1	Very high	98.2	Very high	1 Å²	1	22 Å²	22	0%	0.004	12%	0.119	C	C	.	.	B	Isolated β-bridge	trans	-99.4	98.4	-171.3	-55	-79.1	0	0	0	111.6	T67 H70 F71 D169 T173 G290 Y291 L309 M323	T67-F171 HydrophobicContact CG2-CZ 4.31Å; H70-F171 HydrophobicContact CB-CD1 4.21Å; H70-F171 HydrophobicContact CB-CE1 3.88Å; F71-F171 HydrophobicContact CB-CD1 4.29Å; F71-F171 HydrophobicContact CB-CE1 3.97Å; D169-F171 VanDerWaalsContact O-CD2 3.31Å; D169-F171 WeakPolarHBondContact O-CD2 3.43Å; D169-F171 WeakPolarHBondContact O-CE2 3.43Å; F171-T173 VanDerWaalsContact C-N 3.31Å; F171-T173 HydrophobicContact CB-CG2 4.39Å; F171-T173 PolarHBondContact O-N 3.09Å; F171-G290 CarbonylContact O-C 3.6Å; F171-G290 WeakPolarHBondContact O-CA 3.5Å; F171-Y291 PolarHBondContact N-O 3.37Å; F171-Y291 PolarHBondContact O-N 3.34Å; F171-L309 HydrophobicContact CE1-CD1 4.24Å; F171-L309 HydrophobicContact CE2-CD1 3.63Å; F171-L309 HydrophobicContact CZ-CD1 3.32Å; F171-M323 HydrophobicContact CB-SD 3.52Å; F171-M323 VanDerWaalsContact CB-SD 3.52Å; F171-M323 HydrophobicContact CD1-SD 4.23Å; F171-M323 HydrophobicContact CD2-SD 4.31Å; F171-M323 HydrophobicContact CG-SD 3.75Å
172	L	98.1	Very high	98.2	Very high	4 Å²	4	21.2 Å²	21.2	2%	0.021	12%	0.115	C	C	.	.			trans	-73.3	81	173.5	-63.5	-172.6	0	0	0	111.5	C74 L78 L164 I166 N174 T177 P191 L193 T238 Y289	C74-L172 WeakPolarHBondContact CB-O 3.28Å; L78-L172 HydrophobicContact CD1-CD1 4.34Å; L78-L172 HydrophobicContact CD2-CB 4.07Å; L78-L172 HydrophobicContact CD2-CD1 4.22Å; L164-L172 HydrophobicContact CD2-CD1 4.44Å; I166-L172 HydrophobicContact CD1-CD1 3.75Å; I166-L172 HydrophobicContact CD1-CG 3.81Å; L172-N174 VanDerWaalsContact C-N 3.28Å; L172-N174 PolarHBondContact O-N 3.28Å; L172-T177 HydrophobicContact CD1-CG2 3.89Å; L172-T177 HydrophobicContact CD2-CG2 3.97Å; L172-T177 HydrophobicContact CG-CG2 4.45Å; L172-P191 HydrophobicContact CD2-CG 4.15Å; L172-L193 HydrophobicContact CD2-CD2 3.76Å; L172-T238 HydrophobicContact CD1-CG2 4.45Å; L172-T238 HydrophobicContact CD2-CG2 4.23Å; L172-Y289 CarbonylContact C-O 3.57Å
173	T	97.6	Very high	98.1	Very high	47 Å²	47	24.8 Å²	24.8	29%	0.288	15%	0.146	S	C	.	.			trans	-72.7	-19.9	-178.6	59	0	0	0	0	113.4	F171 P175 Y289 G290 Y291 M323	F171-T173 VanDerWaalsContact C-N 3.31Å; F171-T173 HydrophobicContact CB-CG2 4.39Å; F171-T173 PolarHBondContact O-N 3.09Å; T173-P175 WeakPolarHBondContact O-CD 3.39Å; T173-Y289 PolarHBondContact N-O 3.03Å; T173-G290 WeakPolarHBondContact OG1-CA 3.21Å; T173-Y291 HydrophobicContact CG2-CD2 3.76Å; T173-Y291 HydrophobicContact CG2-CE2 4.1Å; T173-M323 HydrophobicContact CG2-CG 3.6Å; T173-M323 HydrophobicContact CG2-SD 3.59Å; T173-M323 VanDerWaalsContact CG2-SD 3.59Å
174	N	98.1	Very high	98.1	Very high	28 Å²	28	26.3 Å²	26.3	15%	0.15	15%	0.153	C	C	.	.			trans	-87.2	112.9	174.8	-175.4	-23.4	0	0	0	111	L172 Q176 T177 H288 Y289	L172-N174 VanDerWaalsContact C-N 3.28Å; L172-N174 PolarHBondContact O-N 3.28Å; N174-Q176 PolarHBondContact O-N 3.05Å; N174-Q176 VanDerWaalsContact O-N 3.13Å; N174-Q176 WeakPolarHBondContact OD1-CB 3.2Å; N174-Q176 PolarHBondContact OD1-N 3.16Å; N174-T177 WeakPolarHBondContact O-CB 3.09Å; N174-T177 PolarHBondContact O-N 2.84Å; N174-T177 VanDerWaalsContact O-N 3.15Å; N174-T177 PolarHBondContact O-OG1 3.33Å; N174-H288 VanDerWaalsContact CB-O 3.31Å; N174-H288 WeakPolarHBondContact CB-O 3.5Å; N174-H288 PolarHBondContact ND2-O 2.96Å; N174-Y289 WeakPolarHBondContact CB-O 3.34Å; N174-Y289 PolarHBondContact N-O 3.05Å; N174-Y289 VanDerWaalsContact N-O 3.12Å
175	P	98.2	Very high	98	Very high	54 Å²	54	31 Å²	31	35%	0.351	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-31.4	179.7	-29.6	39.2	0	0	0	114.3	R77 L78 D79 T173 T177	R77-P175 WeakPolarHBondContact O-CB 3.31Å; L78-P175 WeakPolarHBondContact CA-O 3.48Å; D79-P175 HydrophobicContact CB-CB 4.03Å; D79-P175 PolarHBondContact N-O 3.41Å; T173-P175 WeakPolarHBondContact O-CD 3.39Å; P175-T177 VanDerWaalsContact C-N 3.28Å; P175-T177 PolarHBondContact O-N 2.76Å
176	Q	98.5	Very high	98	Very high	72 Å²	72	33.7 Å²	33.7	34%	0.336	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-1.3	-174.8	-62.4	-58.4	-28.7	0	0	113.8	D79 N174 L178 N179 L180	D79-Q176 PolarHBondContact OD2-NE2 3.04Å; N174-Q176 PolarHBondContact O-N 3.05Å; N174-Q176 VanDerWaalsContact O-N 3.13Å; N174-Q176 WeakPolarHBondContact OD1-CB 3.2Å; N174-Q176 PolarHBondContact OD1-N 3.16Å; Q176-L178 VanDerWaalsContact C-N 3.27Å; Q176-L178 PolarHBondContact O-N 3.13Å; Q176-L178 VanDerWaalsContact O-N 3.12Å; Q176-N179 PolarHBondContact O-N 3.03Å; Q176-N179 PolarHBondContact OE1-ND2 2.96Å; Q176-L180 HydrophobicContact CB-CD1 3.86Å; Q176-L180 HydrophobicContact CB-CG 4.11Å; Q176-L180 WeakPolarHBondContact O-CG 3.4Å; Q176-L180 PolarHBondContact O-N 3.24Å
177	T	98.6	Very high	98	Very high	1 Å²	1	34.7 Å²	34.7	1%	0.006	20%	0.196	C	C	.	.	H	α-helix	trans	-47.7	-47.6	-174.3	-62.8	0	0	0	0	112.9	L172 N174 P175 L180 L181 P191 Y289	L172-T177 HydrophobicContact CD1-CG2 3.89Å; L172-T177 HydrophobicContact CD2-CG2 3.97Å; L172-T177 HydrophobicContact CG-CG2 4.45Å; N174-T177 WeakPolarHBondContact O-CB 3.09Å; N174-T177 PolarHBondContact O-N 2.84Å; N174-T177 VanDerWaalsContact O-N 3.15Å; N174-T177 PolarHBondContact O-OG1 3.33Å; P175-T177 VanDerWaalsContact C-N 3.28Å; P175-T177 PolarHBondContact O-N 2.76Å; T177-L180 PolarHBondContact O-N 3.02Å; T177-L181 HydrophobicContact CG2-CD1 3.65Å; T177-L181 HydrophobicContact CG2-CG 4.29Å; T177-L181 WeakPolarHBondContact O-CB 3.45Å; T177-L181 WeakPolarHBondContact O-CG 3.15Å; T177-L181 PolarHBondContact O-N 2.84Å; T177-P191 HydrophobicContact CG2-CB 4.1Å; T177-P191 HydrophobicContact CG2-CG 4.13Å; T177-Y289 HydrophobicContact CG2-CD1 3.85Å
178	L	98.3	Very high	98	Very high	3 Å²	3	33.5 Å²	33.5	2%	0.016	19%	0.189	C	C	.	.	H	α-helix	trans	-66.9	-43.5	-177.3	-174.9	51.6	0	0	0	112.3	V55 Y80 M85 Q176 L180 L181 I182 L240	V55-L178 HydrophobicContact CB-CD2 4.29Å; V55-L178 HydrophobicContact CG1-CD1 4.04Å; V55-L178 HydrophobicContact CG1-CD2 4.08Å; V55-L178 HydrophobicContact CG2-CD1 4.27Å; V55-L178 HydrophobicContact CG2-CD2 4.08Å; V55-L178 HydrophobicContact CG2-CG 4.47Å; Y80-L178 HydrophobicContact CD1-CD2 3.88Å; Y80-L178 HydrophobicContact CD2-CB 4.25Å; Y80-L178 HydrophobicContact CD2-CD2 3.7Å; Y80-L178 HydrophobicContact CD2-CG 3.8Å; Y80-L178 HydrophobicContact CE1-CD2 4.29Å; Y80-L178 HydrophobicContact CE2-CD2 4.13Å; Y80-L178 HydrophobicContact CE2-CG 4.01Å; Y80-L178 HydrophobicContact CG-CD2 3.55Å; Y80-L178 HydrophobicContact CG-CG 4.2Å; M85-L178 HydrophobicContact CE-CD2 4.34Å; Q176-L178 VanDerWaalsContact C-N 3.27Å; Q176-L178 PolarHBondContact O-N 3.13Å; Q176-L178 VanDerWaalsContact O-N 3.12Å; L178-L180 PolarHBondContact O-N 3.39Å; L178-L181 PolarHBondContact O-N 3.49Å; L178-I182 HydrophobicContact CD1-CD1 3.96Å; L178-I182 HydrophobicContact CD1-CG1 4.31Å; L178-I182 HydrophobicContact CG-CD1 4.01Å; L178-I182 WeakPolarHBondContact O-CB 3.03Å; L178-I182 VanDerWaalsContact O-CG1 3.23Å; L178-I182 WeakPolarHBondContact O-CG1 3.36Å; L178-I182 PolarHBondContact O-N 2.78Å; L178-L240 HydrophobicContact CD1-CD1 3.69Å; L178-L240 HydrophobicContact CD1-CD2 4.23Å
179	N	98.4	Very high	98.1	Very high	50 Å²	50	33.1 Å²	33.1	27%	0.267	19%	0.187	S	C	.	.	H	α-helix	trans	-61.9	-43.2	176.1	-64.4	-39.7	0	0	0	111.7	D79 Y80 Q176 I182 A183	D79-N179 PolarHBondContact O-ND2 3.06Å; Y80-N179 WeakPolarHBondContact CD2-OD1 3.38Å; Y80-N179 WeakPolarHBondContact CE2-OD1 3.48Å; Q176-N179 PolarHBondContact O-N 3.03Å; Q176-N179 PolarHBondContact OE1-ND2 2.96Å; N179-I182 PolarHBondContact O-N 2.97Å; N179-A183 WeakPolarHBondContact O-CB 3.41Å; N179-A183 PolarHBondContact O-N 3.47Å
180	L	98.6	Very high	98.3	Very high	55 Å²	55	30.9 Å²	30.9	29%	0.288	18%	0.175	S	C	.	.	H	α-helix	trans	-64.7	-43.9	179.6	-68.2	166.9	0	0	0	112.1	Q176 T177 L178 A183 E184 E287 Y289	Q176-L180 HydrophobicContact CB-CD1 3.86Å; Q176-L180 HydrophobicContact CB-CG 4.11Å; Q176-L180 WeakPolarHBondContact O-CG 3.4Å; Q176-L180 PolarHBondContact O-N 3.24Å; T177-L180 PolarHBondContact O-N 3.02Å; L178-L180 PolarHBondContact O-N 3.39Å; L180-A183 PolarHBondContact O-N 2.87Å; L180-E184 PolarHBondContact O-N 2.5Å; L180-E287 HydrophobicContact CD1-CB 4.36Å; L180-E287 HydrophobicContact CD1-CG 3.78Å; L180-Y289 HydrophobicContact CB-CE1 4.01Å; L180-Y289 HydrophobicContact CD1-CD1 4.49Å; L180-Y289 HydrophobicContact CD1-CE1 3.75Å
181	L	98.6	Very high	98.3	Very high	2 Å²	2	30.8 Å²	30.8	1%	0.01	18%	0.175	C	C	.	.	H	α-helix	trans	-67.8	-38.1	177.4	-66.8	170.8	0	0	0	112.1	T177 L178 E184 V189 P191 L240	T177-L181 HydrophobicContact CG2-CD1 3.65Å; T177-L181 HydrophobicContact CG2-CG 4.29Å; T177-L181 WeakPolarHBondContact O-CB 3.45Å; T177-L181 WeakPolarHBondContact O-CG 3.15Å; T177-L181 PolarHBondContact O-N 2.84Å; L178-L181 PolarHBondContact O-N 3.49Å; L181-E184 PolarHBondContact O-N 3.01Å; L181-V189 HydrophobicContact CB-CG1 4.02Å; L181-V189 HydrophobicContact CD2-CB 4.44Å; L181-V189 HydrophobicContact CD2-CG1 4.04Å; L181-V189 HydrophobicContact CD2-CG2 3.78Å; L181-P191 HydrophobicContact CD1-CB 4.32Å; L181-P191 HydrophobicContact CD1-CG 4.02Å; L181-P191 HydrophobicContact CD2-CB 4.28Å; L181-L240 HydrophobicContact CB-CB 4.37Å; L181-L240 HydrophobicContact CB-CD2 3.78Å; L181-L240 HydrophobicContact CD1-CB 4.4Å
182	I	98.5	Very high	98.3	Very high	27 Å²	27	30.7 Å²	30.7	14%	0.138	17%	0.174	C	C	.	.	H	α-helix	trans	-60.4	-45.3	173	-77.4	172.5	0	0	0	110.8	V55 Y80 Y162 L178 N179 E184 N185 L240	V55-I182 HydrophobicContact CG2-CD1 4.27Å; Y80-I182 HydrophobicContact CE2-CD1 3.67Å; Y80-I182 WeakPolarHBondContact OH-CD1 3.41Å; Y162-I182 HydrophobicContact CD1-CG1 4.38Å; Y162-I182 HydrophobicContact CD2-CD1 4.31Å; Y162-I182 HydrophobicContact CD2-CG1 4.25Å; Y162-I182 HydrophobicContact CE1-CG1 4.02Å; Y162-I182 HydrophobicContact CE2-CD1 4.19Å; Y162-I182 HydrophobicContact CE2-CG1 3.9Å; Y162-I182 HydrophobicContact CE2-CG2 4.32Å; Y162-I182 HydrophobicContact CG-CG1 4.47Å; L178-I182 HydrophobicContact CD1-CD1 3.96Å; L178-I182 HydrophobicContact CD1-CG1 4.31Å; L178-I182 HydrophobicContact CG-CD1 4.01Å; L178-I182 WeakPolarHBondContact O-CB 3.03Å; L178-I182 VanDerWaalsContact O-CG1 3.23Å; L178-I182 WeakPolarHBondContact O-CG1 3.36Å; L178-I182 PolarHBondContact O-N 2.78Å; N179-I182 PolarHBondContact O-N 2.97Å; I182-E184 VanDerWaalsContact C-N 3.28Å; I182-E184 PolarHBondContact O-N 3.29Å; I182-N185 PolarHBondContact O-N 3.32Å; I182-L240 HydrophobicContact CG1-CD2 3.74Å
183	A	98	Very high	98.3	Very high	81 Å²	81	30.5 Å²	30.5	67%	0.669	17%	0.173	S	C	*	.	H	α-helix	trans	-64.2	-27.1	-178	0	0	0	0	0	114	N179 L180 N185	N179-A183 WeakPolarHBondContact O-CB 3.41Å; N179-A183 PolarHBondContact O-N 3.47Å; L180-A183 PolarHBondContact O-N 2.87Å; A183-N185 PolarHBondContact O-N 3.24Å
184	E	97.8	Very high	98.1	Very high	32 Å²	32	31.1 Å²	31.1	15%	0.15	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-13.3	177.3	-78.4	-71	162.2	0	0	114	L180 L181 I182 K186 C229 R286	L180-E184 PolarHBondContact O-N 2.5Å; L181-E184 PolarHBondContact O-N 3.01Å; I182-E184 VanDerWaalsContact C-N 3.28Å; I182-E184 PolarHBondContact O-N 3.29Å; E184-K186 VanDerWaalsContact C-N 3.34Å; E184-K186 HydrophobicContact CB-CG 4.3Å; E184-K186 WeakPolarHBondContact O-CD 3.33Å; E184-K186 WeakPolarHBondContact O-CE 3.37Å; E184-K186 WeakPolarHBondContact O-CG 3.32Å; E184-K186 PolarHBondContact O-N 3.07Å; E184-K186 PolarHBondContact O-NZ 3.01Å; E184-K186 IonicContact OE2-NZ 2.73Å; E184-C229 PolarHBondContact OE1-SG 3.41Å; E184-R286 IonicContact OE1-CZ 2.72Å; E184-R286 IonicContact OE1-NE 3.51Å; E184-R286 PolarHBondContact OE1-NE 2.91Å; E184-R286 IonicContact OE1-NH2 3.66Å; E184-R286 PolarHBondContact OE1-NH2 2.85Å; E184-R286 VanDerWaalsContact OE1-NH2 3.1Å
185	N	97.4	Very high	97.9	Very high	101 Å²	101	30.4 Å²	30.4	54%	0.54	17%	0.17	S	C	.	.			trans	51.3	48.3	171.6	-170.8	4.6	0	0	0	112.8	I182 A183 K245	I182-N185 PolarHBondContact O-N 3.32Å; A183-N185 PolarHBondContact O-N 3.24Å; N185-K245 PolarHBondContact O-NZ 2.97Å; N185-K245 WeakPolarHBondContact OD1-CE 3.29Å; N185-K245 PolarHBondContact OD1-NZ 2.79Å
186	K	98	Very high	97.3	Very high	60 Å²	60	32.5 Å²	32.5	26%	0.261	17%	0.171	S	C	.	.			trans	-109.2	158	174.9	-50	-57.9	-179	-118.7	0	110.6	E184 V189 D242 Y282	E184-K186 VanDerWaalsContact C-N 3.34Å; E184-K186 HydrophobicContact CB-CG 4.3Å; E184-K186 WeakPolarHBondContact O-CD 3.33Å; E184-K186 WeakPolarHBondContact O-CE 3.37Å; E184-K186 WeakPolarHBondContact O-CG 3.32Å; E184-K186 PolarHBondContact O-N 3.07Å; E184-K186 PolarHBondContact O-NZ 3.01Å; E184-K186 IonicContact OE2-NZ 2.73Å; K186-V189 HydrophobicContact CB-CB 4.08Å; K186-V189 HydrophobicContact CG-CB 4.33Å; K186-D242 WeakPolarHBondContact O-CB 3.1Å; K186-Y282 HydrophobicContact CB-CD2 3.8Å; K186-Y282 HydrophobicContact CB-CE2 4.36Å; K186-Y282 HydrophobicContact CB-CG 4.36Å; K186-Y282 HydrophobicContact CD-CD1 4.24Å; K186-Y282 HydrophobicContact CD-CD2 3.78Å; K186-Y282 HydrophobicContact CD-CE1 4.29Å; K186-Y282 HydrophobicContact CD-CE2 3.83Å; K186-Y282 HydrophobicContact CD-CG 4Å; K186-Y282 HydrophobicContact CG-CD1 4.49Å; K186-Y282 HydrophobicContact CG-CD2 3.72Å; K186-Y282 HydrophobicContact CG-CE2 4.26Å; K186-Y282 HydrophobicContact CG-CG 3.85Å
187	T	98.3	Very high	96.7	Very high	26 Å²	26	31.6 Å²	31.6	16%	0.16	18%	0.181	C	C	.	.	S	Bend	trans	-72.9	-38.1	176.5	-47.2	0	0	0	0	111.6	I241 D242 K245 I279	T187-I241 VanDerWaalsContact O-CA 3.28Å; T187-I241 WeakPolarHBondContact O-CA 3.39Å; T187-I241 WeakPolarHBondContact O-CG2 3.41Å; T187-D242 PolarHBondContact O-N 2.99Å; T187-K245 HydrophobicContact CG2-CB 4.4Å; T187-K245 WeakPolarHBondContact OG1-CD 3.17Å; T187-I279 HydrophobicContact CG2-CD1 3.93Å; T187-I279 HydrophobicContact CG2-CG1 4.31Å; T187-I279 HydrophobicContact CG2-CG2 4.12Å
188	I	98.8	Very high	96.2	Very high	0 Å²	0	35 Å²	35	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	126.3	170.2	-58.1	173.3	0	0	0	107.8	V235 F239 L240 I241 L251 F270 S274 I279 M281 Y282	I188-V235 HydrophobicContact CG2-CG2 4.02Å; I188-F239 HydrophobicContact CG2-CB 4.46Å; I188-F239 HydrophobicContact CG2-CD2 4.13Å; I188-L240 WeakPolarHBondContact CA-O 3.48Å; I188-I241 HydrophobicContact CG1-CG1 4.41Å; I188-I241 HydrophobicContact CG1-CG2 4.47Å; I188-L251 HydrophobicContact CD1-CD1 3.94Å; I188-L251 HydrophobicContact CD1-CD2 4.01Å; I188-L251 HydrophobicContact CG1-CD1 4.17Å; I188-F270 HydrophobicContact CD1-CE1 4.24Å; I188-F270 HydrophobicContact CD1-CZ 3.97Å; I188-S274 WeakPolarHBondContact CD1-OG 3.31Å; I188-I279 HydrophobicContact CD1-CG2 3.74Å; I188-I279 HydrophobicContact CG1-CG2 3.94Å; I188-M281 HydrophobicContact CB-CG 4.29Å; I188-M281 HydrophobicContact CD1-CE 4.25Å; I188-M281 HydrophobicContact CD1-CG 4.15Å; I188-M281 HydrophobicContact CG2-CB 4.43Å; I188-M281 HydrophobicContact CG2-CG 4.03Å; I188-Y282 PolarHBondContact O-N 2.78Å; I188-Y282 VanDerWaalsContact O-N 3.1Å
189	V	98.8	Very high	95.9	Very high	2 Å²	2	36.2 Å²	36.2	1%	0.012	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	135.5	176	61.4	0	0	0	0	111.9	L181 K186 F239 L240 Y282 C284	L181-V189 HydrophobicContact CB-CG1 4.02Å; L181-V189 HydrophobicContact CD2-CB 4.44Å; L181-V189 HydrophobicContact CD2-CG1 4.04Å; L181-V189 HydrophobicContact CD2-CG2 3.78Å; K186-V189 HydrophobicContact CB-CB 4.08Å; K186-V189 HydrophobicContact CG-CB 4.33Å; V189-F239 WeakPolarHBondContact O-CA 3.1Å; V189-L240 HydrophobicContact CG1-CB 4.17Å; V189-L240 PolarHBondContact N-O 3.01Å; V189-L240 PolarHBondContact O-N 3.41Å; V189-Y282 CarbonylContact C-O 3.48Å; V189-Y282 VanDerWaalsContact CA-O 3.31Å; V189-Y282 WeakPolarHBondContact CA-O 2.97Å; V189-C284 VanDerWaalsContact CG2-SG 3.52Å
190	A	98.8	Very high	95.6	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	141.5	175.9	0	0	0	0	0	111.7	V235 T238 F239 Y282 L283 C284	A190-V235 HydrophobicContact CB-CB 3.6Å; A190-V235 HydrophobicContact CB-CG1 3.64Å; A190-V235 HydrophobicContact CB-CG2 3.94Å; A190-T238 VanDerWaalsContact CB-O 3.29Å; A190-T238 WeakPolarHBondContact CB-O 3.47Å; A190-F239 HydrophobicContact CB-CB 4.03Å; A190-Y282 PolarHBondContact N-O 3.44Å; A190-L283 HydrophobicContact CB-CD1 4.05Å; A190-C284 PolarHBondContact O-N 3.33Å
191	P	98.6	Very high	95.5	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	137.2	161.7	30.6	-28.3	0	0	0	108.7	L172 T177 L181 L193 N201 T238 Y289	L172-P191 HydrophobicContact CD2-CG 4.15Å; T177-P191 HydrophobicContact CG2-CB 4.1Å; T177-P191 HydrophobicContact CG2-CG 4.13Å; L181-P191 HydrophobicContact CD1-CB 4.32Å; L181-P191 HydrophobicContact CD1-CG 4.02Å; L181-P191 HydrophobicContact CD2-CB 4.28Å; P191-L193 HydrophobicContact CB-CD2 4.47Å; P191-L193 HydrophobicContact CG-CD2 4.32Å; P191-L193 PolarHBondContact O-N 2.56Å; P191-N201 PolarHBondContact O-ND2 2.97Å; P191-N201 PolarHBondContact O-OD1 2.89Å; P191-T238 HydrophobicContact CG-CG2 3.98Å; P191-Y289 HydrophobicContact CB-CD1 3.76Å; P191-Y289 HydrophobicContact CB-CD2 3.79Å; P191-Y289 HydrophobicContact CB-CE1 4.38Å; P191-Y289 HydrophobicContact CB-CE2 4.43Å; P191-Y289 HydrophobicContact CB-CG 3.41Å; P191-Y289 VanDerWaalsContact CB-CG 3.41Å
192	M	98.5	Very high	95.4	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	18%	0.176	C	C	.	.	P	Polyproline II helix	trans	-74	120.1	169.7	-166.7	177.7	82.8	0	0	109.1	F202 I221 W224 L283 C284 N285	M192-F202 HydrophobicContact CG-CD1 4.2Å; M192-F202 HydrophobicContact CG-CE1 3.83Å; M192-F202 HydrophobicContact SD-CE1 3.67Å; M192-F202 HydrophobicContact SD-CZ 4.11Å; M192-I221 WeakPolarHBondContact CE-O 3.39Å; M192-I221 HydrophobicContact SD-CG2 3.93Å; M192-W224 HydrophobicContact CE-CD2 3.58Å; M192-W224 VanDerWaalsContact CE-CE2 3.4Å; M192-W224 HydrophobicContact CE-CE3 3.61Å; M192-W224 HydrophobicContact CE-CG 4.44Å; M192-W224 HydrophobicContact CE-CH2 3.34Å; M192-W224 HydrophobicContact CE-CZ2 3.3Å; M192-W224 HydrophobicContact CE-CZ3 3.5Å; M192-L283 HydrophobicContact CB-CD1 3.88Å; M192-L283 HydrophobicContact CB-CD2 4.01Å; M192-L283 HydrophobicContact CB-CG 3.98Å; M192-L283 HydrophobicContact CG-CD1 4.27Å; M192-L283 HydrophobicContact CG-CD2 3.93Å; M192-L283 HydrophobicContact CG-CG 4.39Å; M192-L283 HydrophobicContact SD-CD2 3.95Å; M192-C284 WeakPolarHBondContact CB-O 3.44Å; M192-C284 PolarHBondContact N-O 2.72Å; M192-N285 HydrophobicContact CB-CB 3.85Å; M192-N285 HydrophobicContact CE-CB 3.66Å; M192-N285 HydrophobicContact CG-CB 4.45Å; M192-N285 HydrophobicContact SD-CB 3.81Å
193	L	97.7	Very high	95.2	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	17%	0.171	C	C	.	.	P	Polyproline II helix	trans	-100.6	143.5	179.8	-60.9	178.9	0	0	0	110.6	N170 L172 P191 N201 L292	N170-L193 HydrophobicContact CB-CD1 3.71Å; N170-L193 VanDerWaalsContact ND2-CD1 3.34Å; N170-L193 WeakPolarHBondContact ND2-CD1 3.15Å; L172-L193 HydrophobicContact CD2-CD2 3.76Å; P191-L193 HydrophobicContact CB-CD2 4.47Å; P191-L193 HydrophobicContact CG-CD2 4.32Å; P191-L193 PolarHBondContact O-N 2.56Å; L193-N201 PolarHBondContact N-OD1 3.03Å; L193-L292 HydrophobicContact CB-CB 4.46Å; L193-L292 HydrophobicContact CB-CD2 3.74Å; L193-L292 HydrophobicContact CB-CG 4.47Å; L193-L292 WeakPolarHBondContact O-CD2 3.16Å
194	E	94.8	Very high	95	Very high	60 Å²	60	27.4 Å²	27.4	28%	0.28	15%	0.146	S	C	.	.	B	Isolated β-bridge	trans	-91	127	-177.8	-174.6	163.5	-140.2	0	0	112.2	W224 H288 G290 Y291 L292	E194-W224 HydrophobicContact CB-CH2 4.11Å; E194-H288 IonicContact OE2-CD2 3.85Å; E194-H288 PolarHBondContact OE2-CD2 3.12Å; E194-H288 IonicContact OE2-CE1 3.73Å; E194-H288 IonicContact OE2-NE2 3.55Å; E194-H288 PolarHBondContact OE2-NE2 3.49Å; E194-G290 PolarHBondContact N-O 3.25Å; E194-Y291 HydrophobicContact CB-CD1 3.82Å; E194-Y291 HydrophobicContact CB-CE1 4.05Å; E194-Y291 HydrophobicContact CG-CD1 4.18Å; E194-Y291 HydrophobicContact CG-CE1 4.15Å; E194-Y291 CarbonylContact O-C 3.6Å; E194-Y291 WeakPolarHBondContact O-CA 3.43Å; E194-Y291 VanDerWaalsContact OE2-CE1 3.29Å; E194-Y291 WeakPolarHBondContact OE2-CE1 3.47Å; E194-L292 PolarHBondContact O-N 3.2Å
195	S	92.9	Very high	94.8	Very high	12 Å²	12	26.3 Å²	26.3	8%	0.084	14%	0.144	C	C	.	.			trans	-113.6	171.1	167.8	75.9	0	0	0	0	111.1	Y199 R222 L292	S195-Y199 WeakPolarHBondContact OG-CB 3.14Å; S195-Y199 PolarHBondContact OG-O 2.71Å; S195-R222 PolarHBondContact O-NH2 2.92Å; S195-R222 PolarHBondContact OG-NH2 3.47Å; S195-L292 VanDerWaalsContact CA-O 3.27Å; S195-L292 WeakPolarHBondContact CA-O 3.25Å; S195-L292 VanDerWaalsContact CB-O 3.25Å; S195-L292 WeakPolarHBondContact CB-O 3.35Å
196	R	85.4	Confident	94.5	Very high	98 Å²	98	23.6 Å²	23.6	37%	0.37	13%	0.129	S	C	.	.	S	Bend	trans	-57	139	155.7	179.6	171.5	69.8	152.4	-5	110.3	I294 H311 E442	R196-I294 HydrophobicContact CB-CD1 3.95Å; R196-I294 HydrophobicContact CB-CG1 4.34Å; R196-I294 HydrophobicContact CG-CD1 4.19Å; R196-I294 WeakPolarHBondContact O-CD1 3.31Å; R196-H311 WeakPolarHBondContact CD-NE2 3.41Å; R196-E442 IonicContact NH1-OE1 3.12Å
197	G	85.2	Confident	94.1	Very high	53 Å²	53	22.8 Å²	22.8	55%	0.546	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.6	-147.3	175.6	0	0	0	0	0	114.6	R222	G197-R222 PolarHBondContact O-NH2 3Å; G197-R222 VanDerWaalsContact O-NH2 3.12Å
198	L	88.8	Confident	93.4	Very high	72 Å²	72	27.5 Å²	27.5	38%	0.377	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.1	24.1	-177.1	-65.8	179.1	0	0	0	113.6	R214 Y218 R222	L198-R214 PolarHBondContact O-NH1 3.16Å; L198-Y218 PolarHBondContact O-OH 3.08Å; L198-R222 HydrophobicContact CD2-CG 4.3Å
199	Y	91.4	Very high	92.6	Very high	30 Å²	30	34.6 Å²	34.6	12%	0.118	19%	0.191	C	C	.	.			trans	-78.8	157.3	167.1	179.1	-103.9	0	0	0	110.1	S195 R222 H236 L292 P293 P295 D624	S195-Y199 WeakPolarHBondContact OG-CB 3.14Å; S195-Y199 PolarHBondContact OG-O 2.71Å; Y199-R222 PolarHBondContact O-NE 2.71Å; Y199-R222 PolarHBondContact O-NH2 3.33Å; Y199-R222 VanDerWaalsContact O-NH2 3.13Å; Y199-H236 PolarHBondContact OH-CE1 2.64Å; Y199-L292 HydrophobicContact CD1-CD1 4.34Å; Y199-L292 HydrophobicContact CD1-CG 4.26Å; Y199-L292 HydrophobicContact CE1-CD1 3.61Å; Y199-L292 HydrophobicContact CE1-CG 3.92Å; Y199-P293 WeakPolarHBondContact CE1-O 3.25Å; Y199-P295 HydrophobicContact CE1-CG 3.9Å; Y199-P295 HydrophobicContact CE2-CG 3.81Å; Y199-P295 VanDerWaalsContact OH-CG 3.23Å; Y199-P295 WeakPolarHBondContact OH-CG 3.34Å; Y199-D624 HydrophobicContact CD2-CB 3.96Å; Y199-D624 WeakPolarHBondContact CD2-OD2 3.47Å; Y199-D624 HydrophobicContact CE2-CB 4.12Å; Y199-D624 VanDerWaalsContact CE2-OD2 3.24Å; Y199-D624 WeakPolarHBondContact CE2-OD2 3.5Å
200	S	92.1	Very high	91.8	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.19	C	C	.	.			trans	-169.3	165.6	-179.7	65.3	0	0	0	0	112.6	F202 Y218 H236	S200-F202 VanDerWaalsContact CB-CE1 3.48Å; S200-F202 PolarHBondContact O-N 3.39Å; S200-F202 VanDerWaalsContact O-N 3.14Å; S200-F202 VanDerWaalsContact OG-CD1 3.26Å; S200-F202 WeakPolarHBondContact OG-CD1 3.42Å; S200-F202 WeakPolarHBondContact OG-CE1 3.47Å; S200-F202 PolarHBondContact OG-O 3.15Å; S200-Y218 VanDerWaalsContact CB-OH 3.22Å; S200-Y218 WeakPolarHBondContact CB-OH 3.49Å; S200-Y218 PolarHBondContact OG-OH 2.95Å; S200-H236 PolarHBondContact O-NE2 2.91Å
201	N	96.8	Very high	91.1	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.203	C	C	.	.	S	Bend	trans	-81.3	26.4	175.2	69.4	-46.7	0	0	0	116.1	P191 L193 H236 L292	P191-N201 PolarHBondContact O-ND2 2.97Å; P191-N201 PolarHBondContact O-OD1 2.89Å; L193-N201 PolarHBondContact N-OD1 3.03Å; N201-H236 VanDerWaalsContact CA-CE1 3.5Å; N201-H236 WeakPolarHBondContact CA-CE1 3.47Å; N201-H236 WeakPolarHBondContact CB-O 3.33Å; N201-H236 PolarHBondContact O-N 3.26Å; N201-L292 HydrophobicContact CB-CD1 3.95Å
202	F	96.9	Very high	90.5	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	158.3	-177.3	77.1	-81.7	0	0	0	113.8	M192 S200 Y218 I221 R222 V232 M234 V235 L283	M192-F202 HydrophobicContact CG-CD1 4.2Å; M192-F202 HydrophobicContact CG-CE1 3.83Å; M192-F202 HydrophobicContact SD-CE1 3.67Å; M192-F202 HydrophobicContact SD-CZ 4.11Å; S200-F202 VanDerWaalsContact CB-CE1 3.48Å; S200-F202 PolarHBondContact O-N 3.39Å; S200-F202 VanDerWaalsContact O-N 3.14Å; S200-F202 VanDerWaalsContact OG-CD1 3.26Å; S200-F202 WeakPolarHBondContact OG-CD1 3.42Å; S200-F202 WeakPolarHBondContact OG-CE1 3.47Å; S200-F202 PolarHBondContact OG-O 3.15Å; F202-Y218 HydrophobicContact CD2-CD2 4.44Å; F202-Y218 HydrophobicContact CD2-CE2 4.24Å; F202-Y218 HydrophobicContact CE1-CE2 4.15Å; F202-Y218 AromaticContact CE2-CD2 3.7Å; F202-Y218 HydrophobicContact CE2-CD2 3.7Å; F202-Y218 AromaticContact CE2-CE2 3.67Å; F202-Y218 HydrophobicContact CE2-CE2 3.67Å; F202-Y218 AromaticContact CZ-CD2 3.95Å; F202-Y218 HydrophobicContact CZ-CD2 3.95Å; F202-Y218 AromaticContact CZ-CE2 3.61Å; F202-Y218 HydrophobicContact CZ-CE2 3.61Å; F202-I221 HydrophobicContact CE2-CG2 4.16Å; F202-I221 HydrophobicContact CZ-CB 4.42Å; F202-I221 HydrophobicContact CZ-CG2 3.85Å; F202-R222 HydrophobicContact CZ-CB 4.34Å; F202-V232 HydrophobicContact CD2-CG1 4.21Å; F202-M234 WeakPolarHBondContact CA-O 3.37Å; F202-V235 HydrophobicContact CB-CG1 4.34Å; F202-L283 HydrophobicContact CB-CD1 3.81Å; F202-L283 HydrophobicContact CB-CD2 4.14Å; F202-L283 HydrophobicContact CB-CG 4.36Å; F202-L283 HydrophobicContact CD1-CD1 3.86Å; F202-L283 HydrophobicContact CD1-CD2 3.35Å; F202-L283 HydrophobicContact CD1-CG 4.18Å; F202-L283 HydrophobicContact CD2-CD2 3.57Å; F202-L283 HydrophobicContact CE1-CD2 3.48Å; F202-L283 VanDerWaalsContact CE1-CD2 3.48Å; F202-L283 HydrophobicContact CE2-CD2 3.67Å; F202-L283 HydrophobicContact CG-CD1 3.94Å; F202-L283 HydrophobicContact CG-CD2 3.4Å; F202-L283 HydrophobicContact CG-CG 4.13Å; F202-L283 HydrophobicContact CZ-CD2 3.64Å
203	W	95.3	Very high	90.1	Very high	6 Å²	6	44 Å²	44	2%	0.023	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	131.9	172.8	-59.1	-17.3	0	0	0	111.2	G205 I206 G210 Y212 P233 M234 I267 I268 D624	W203-G205 VanDerWaalsContact C-N 3.33Å; W203-I206 HydrophobicContact CE3-CG2 3.76Å; W203-I206 HydrophobicContact CZ3-CG2 4.19Å; W203-G210 WeakPolarHBondContact CZ3-O 3.41Å; W203-Y212 HydrophobicContact CB-CD2 3.78Å; W203-Y212 HydrophobicContact CB-CE2 3.94Å; W203-Y212 AromaticContact CD1-CD2 3.43Å; W203-Y212 VanDerWaalsContact CD1-CD2 3.43Å; W203-Y212 AromaticContact CD1-CE2 3.72Å; W203-Y212 AromaticContact CD2-CD2 3.62Å; W203-Y212 HydrophobicContact CD2-CD2 3.62Å; W203-Y212 HydrophobicContact CD2-CG 4.37Å; W203-Y212 AromaticContact CE2-CD2 3.85Å; W203-Y212 HydrophobicContact CE3-CD2 4.28Å; W203-Y212 AromaticContact CG-CD2 3.37Å; W203-Y212 HydrophobicContact CG-CD2 3.37Å; W203-Y212 AromaticContact CG-CE2 3.85Å; W203-Y212 HydrophobicContact CG-CE2 3.85Å; W203-Y212 HydrophobicContact CG-CG 4.49Å; W203-Y212 AromaticContact NE1-CD2 3.73Å; W203-P233 WeakPolarHBondContact O-CD 3.31Å; W203-P233 WeakPolarHBondContact O-CG 3.42Å; W203-M234 HydrophobicContact CB-CB 4.16Å; W203-M234 HydrophobicContact CD2-CB 4.41Å; W203-M234 HydrophobicContact CD2-CE 4.32Å; W203-M234 HydrophobicContact CD2-SD 3.72Å; W203-M234 HydrophobicContact CE3-CB 4.23Å; W203-M234 HydrophobicContact CE3-CE 3.41Å; W203-M234 VanDerWaalsContact CE3-CE 3.41Å; W203-M234 HydrophobicContact CE3-CG 4.46Å; W203-M234 HydrophobicContact CE3-SD 3.41Å; W203-M234 HydrophobicContact CG-CB 4.4Å; W203-M234 HydrophobicContact CG-SD 4.47Å; W203-M234 HydrophobicContact CH2-CE 4.13Å; W203-M234 HydrophobicContact CH2-SD 4.04Å; W203-M234 HydrophobicContact CZ2-SD 4.31Å; W203-M234 HydrophobicContact CZ3-CE 3.29Å; W203-M234 HydrophobicContact CZ3-SD 3.59Å; W203-M234 VanDerWaalsContact CZ3-SD 3.59Å; W203-M234 PolarHBondContact N-O 2.75Å; W203-I267 HydrophobicContact CH2-CD1 4.43Å; W203-I267 HydrophobicContact CZ2-CD1 4.04Å; W203-I268 HydrophobicContact CH2-CD1 4.31Å; W203-I268 HydrophobicContact CH2-CG1 4.31Å; W203-D624 PolarHBondContact NE1-OD1 3.09Å
204	C	93.8	Very high	89.7	Confident	23 Å²	23	49 Å²	49	16%	0.155	25%	0.25	C	S	.	.	S	Bend	trans	-79.6	-11.8	174.3	-79.8	0	0	0	0	114.5	T215 Y218	C204-T215 HydrophobicContact CB-CG2 3.99Å; C204-T215 WeakPolarHBondContact CB-OG1 3.39Å; C204-Y218 HydrophobicContact CB-CD2 4.24Å; C204-Y218 VanDerWaalsContact SG-CA 3.58Å
205	G	91.9	Very high	89.6	Confident	9 Å²	9	47.7 Å²	47.7	9%	0.093	25%	0.246	C	C	.	.			trans	-154.6	152	-175.5	0	0	0	0	0	111	W203 K213	W203-G205 VanDerWaalsContact C-N 3.33Å; G205-K213 CarbonylContact C-O 3.56Å; G205-K213 VanDerWaalsContact CA-O 3.3Å; G205-K213 WeakPolarHBondContact CA-O 3.27Å; G205-K213 PolarHBondContact N-O 2.81Å; G205-K213 PolarHBondContact O-N 2.83Å
206	I	91.6	Very high	89.6	Confident	44 Å²	44	52.6 Å²	52.6	23%	0.226	28%	0.278	C	S	.	.	B	Isolated β-bridge	trans	-130.5	152.6	170.1	54.6	173.7	0	0	0	110.9	W203 F211 P233 M234 W262	W203-I206 HydrophobicContact CE3-CG2 3.76Å; W203-I206 HydrophobicContact CZ3-CG2 4.19Å; I206-F211 CarbonylContact C-O 3.56Å; I206-F211 WeakPolarHBondContact CA-O 3.48Å; I206-P233 HydrophobicContact CD1-CB 4.1Å; I206-P233 HydrophobicContact CG1-CB 3.96Å; I206-P233 HydrophobicContact CG1-CG 4.47Å; I206-P233 HydrophobicContact CG2-CB 4.18Å; I206-P233 HydrophobicContact CG2-CG 4.28Å; I206-M234 HydrophobicContact CG2-CE 4.41Å; I206-W262 HydrophobicContact CD1-CH2 4.12Å
207	T	89.3	Confident	90	Very high	43 Å²	43	51.4 Å²	51.4	26%	0.264	28%	0.279	S	S	.	.			trans	-77.2	166.4	168.3	67.2	0	0	0	0	110.9	K209 G210 F211 K213	T207-K209 PolarHBondContact O-N 3.24Å; T207-K209 VanDerWaalsContact O-N 3.08Å; T207-K209 PolarHBondContact OG1-N 2.89Å; T207-G210 PolarHBondContact O-N 3.26Å; T207-F211 HydrophobicContact CG2-CB 4.35Å; T207-F211 PolarHBondContact N-O 3.12Å; T207-F211 PolarHBondContact OG1-N 2.77Å; T207-F211 PolarHBondContact OG1-O 3.23Å; T207-K213 HydrophobicContact CG2-CB 4.42Å
208	P	85	Confident	90.4	Very high	125 Å²	125	48.9 Å²	48.9	81%	0.812	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-18.6	173.1	-25.9	36.1	0	0	0	114.9	W262	P208-W262 PolarHBondContact O-NE1 3.33Å
209	K	80.9	Confident	90.6	Very high	150 Å²	150	47.5 Å²	47.5	65%	0.652	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.7	6.9	176.2	-66.2	-172.8	178.1	-175.1	0	113.6	T207 F211	T207-K209 PolarHBondContact O-N 3.24Å; T207-K209 VanDerWaalsContact O-N 3.08Å; T207-K209 PolarHBondContact OG1-N 2.89Å; K209-F211 HydrophobicContact CB-CD2 3.87Å; K209-F211 HydrophobicContact CB-CE2 4.11Å; K209-F211 PolarHBondContact O-N 3.02Å
210	G	82.2	Confident	90.8	Very high	0 Å²	0	50 Å²	50	0%	0	26%	0.26	C	S	.	.	S	Bend	trans	86.1	-8.5	177.7	0	0	0	0	0	116.2	W203 T207	W203-G210 WeakPolarHBondContact CZ3-O 3.41Å; T207-G210 PolarHBondContact O-N 3.26Å
211	F	84.9	Confident	91	Very high	61 Å²	61	50.2 Å²	50.2	27%	0.268	26%	0.261	S	S	.	.			trans	-69.2	161.7	176.2	-66	-81.5	0	0	0	113.2	I206 T207 K209 T263 L626	I206-F211 CarbonylContact C-O 3.56Å; I206-F211 WeakPolarHBondContact CA-O 3.48Å; T207-F211 HydrophobicContact CG2-CB 4.35Å; T207-F211 PolarHBondContact N-O 3.12Å; T207-F211 PolarHBondContact OG1-N 2.77Å; T207-F211 PolarHBondContact OG1-O 3.23Å; K209-F211 HydrophobicContact CB-CD2 3.87Å; K209-F211 HydrophobicContact CB-CE2 4.11Å; K209-F211 PolarHBondContact O-N 3.02Å; F211-T263 WeakPolarHBondContact CE1-OG1 3.28Å; F211-T263 WeakPolarHBondContact CZ-OG1 3.34Å; F211-L626 HydrophobicContact CD1-CD1 4.48Å; F211-L626 HydrophobicContact CE1-CD1 4.35Å
212	Y	86.1	Confident	90.9	Very high	16 Å²	16	50.7 Å²	50.7	6%	0.063	26%	0.263	C	S	.	.	B	Isolated β-bridge	trans	-49.4	149.6	174.5	-178.5	-116.3	0	0	0	113.9	W203 R214	W203-Y212 HydrophobicContact CB-CD2 3.78Å; W203-Y212 HydrophobicContact CB-CE2 3.94Å; W203-Y212 AromaticContact CD1-CD2 3.43Å; W203-Y212 VanDerWaalsContact CD1-CD2 3.43Å; W203-Y212 AromaticContact CD1-CE2 3.72Å; W203-Y212 AromaticContact CD2-CD2 3.62Å; W203-Y212 HydrophobicContact CD2-CD2 3.62Å; W203-Y212 HydrophobicContact CD2-CG 4.37Å; W203-Y212 AromaticContact CE2-CD2 3.85Å; W203-Y212 HydrophobicContact CE3-CD2 4.28Å; W203-Y212 AromaticContact CG-CD2 3.37Å; W203-Y212 HydrophobicContact CG-CD2 3.37Å; W203-Y212 AromaticContact CG-CE2 3.85Å; W203-Y212 HydrophobicContact CG-CE2 3.85Å; W203-Y212 HydrophobicContact CG-CG 4.49Å; W203-Y212 AromaticContact NE1-CD2 3.73Å; Y212-R214 HydrophobicContact CE1-CB 3.92Å; Y212-R214 WeakPolarHBondContact OH-CA 3.29Å; Y212-R214 WeakPolarHBondContact OH-CD 3.45Å; Y212-R214 PolarHBondContact OH-NE 2.91Å; Y212-R214 PolarHBondContact OH-NH1 3.1Å
213	K	89.9	Confident	90.8	Very high	121 Å²	121	54.8 Å²	54.8	53%	0.526	28%	0.282	S	S	.	.			trans	-149.9	110.4	168.4	-176.4	-179	177	-177.4	0	110.4	G205 T207 T215	G205-K213 CarbonylContact C-O 3.56Å; G205-K213 VanDerWaalsContact CA-O 3.3Å; G205-K213 WeakPolarHBondContact CA-O 3.27Å; G205-K213 PolarHBondContact N-O 2.81Å; G205-K213 PolarHBondContact O-N 2.83Å; T207-K213 HydrophobicContact CG2-CB 4.42Å; K213-T215 PolarHBondContact O-N 3.22Å
214	R	88.7	Confident	90.7	Very high	107 Å²	107	57.8 Å²	57.8	40%	0.404	29%	0.293	S	S	.	.			trans	-57.6	134.7	171.8	-167.1	81.3	60.5	-165.8	-5.5	110	L198 Y212 Y218	L198-R214 PolarHBondContact O-NH1 3.16Å; Y212-R214 HydrophobicContact CE1-CB 3.92Å; Y212-R214 WeakPolarHBondContact OH-CA 3.29Å; Y212-R214 WeakPolarHBondContact OH-CD 3.45Å; Y212-R214 PolarHBondContact OH-NE 2.91Å; Y212-R214 PolarHBondContact OH-NH1 3.1Å; R214-Y218 VanDerWaalsContact NH1-CD1 3.29Å
215	T	92.4	Very high	90.8	Very high	32 Å²	32	63 Å²	63	20%	0.196	31%	0.313	C	S	.	.			trans	-123.7	163.7	174.8	76.2	0	0	0	0	110.5	C204 K213 D217 Y218	C204-T215 HydrophobicContact CB-CG2 3.99Å; C204-T215 WeakPolarHBondContact CB-OG1 3.39Å; K213-T215 PolarHBondContact O-N 3.22Å; T215-D217 VanDerWaalsContact C-N 3.26Å; T215-D217 PolarHBondContact O-N 2.84Å; T215-Y218 WeakPolarHBondContact O-CB 3.03Å; T215-Y218 PolarHBondContact O-N 3.26Å; T215-Y218 VanDerWaalsContact O-N 3.16Å
216	P	92.9	Very high	91	Very high	114 Å²	114	68.4 Å²	68.4	74%	0.74	33%	0.331	S	S	*	.	H	α-helix	trans	-60	-32.8	176.3	-25.2	35.9	0	0	0	114.1	Y218	P216-Y218 VanDerWaalsContact C-N 3.28Å; P216-Y218 PolarHBondContact O-N 2.96Å
217	D	93.4	Very high	91.3	Very high	74 Å²	74	69.6 Å²	69.6	40%	0.396	34%	0.343	S	S	.	.	H	α-helix	trans	-66	-29.2	176.9	-75.1	-65.9	0	0	0	112.9	T215 V219 Q220 I221 R226	T215-D217 VanDerWaalsContact C-N 3.26Å; T215-D217 PolarHBondContact O-N 2.84Å; D217-V219 PolarHBondContact O-N 2.82Å; D217-Q220 WeakPolarHBondContact O-CB 3.44Å; D217-Q220 PolarHBondContact O-N 2.87Å; D217-I221 HydrophobicContact CB-CD1 4.18Å; D217-I221 WeakPolarHBondContact O-CG1 3.31Å; D217-I221 PolarHBondContact O-N 3.25Å; D217-R226 IonicContact OD1-NH1 3.35Å; D217-R226 PolarHBondContact OD1-NH1 3.19Å
218	Y	94.2	Very high	91.7	Very high	0 Å²	0	67.9 Å²	67.9	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-55.1	-50.8	-172	-178.7	-84.9	0	0	0	112.4	L198 S200 F202 C204 R214 T215 P216 Q220 I221 R222	L198-Y218 PolarHBondContact O-OH 3.08Å; S200-Y218 VanDerWaalsContact CB-OH 3.22Å; S200-Y218 WeakPolarHBondContact CB-OH 3.49Å; S200-Y218 PolarHBondContact OG-OH 2.95Å; F202-Y218 HydrophobicContact CD2-CD2 4.44Å; F202-Y218 HydrophobicContact CD2-CE2 4.24Å; F202-Y218 HydrophobicContact CE1-CE2 4.15Å; F202-Y218 AromaticContact CE2-CD2 3.7Å; F202-Y218 HydrophobicContact CE2-CD2 3.7Å; F202-Y218 AromaticContact CE2-CE2 3.67Å; F202-Y218 HydrophobicContact CE2-CE2 3.67Å; F202-Y218 AromaticContact CZ-CD2 3.95Å; F202-Y218 HydrophobicContact CZ-CD2 3.95Å; F202-Y218 AromaticContact CZ-CE2 3.61Å; F202-Y218 HydrophobicContact CZ-CE2 3.61Å; C204-Y218 HydrophobicContact CB-CD2 4.24Å; C204-Y218 VanDerWaalsContact SG-CA 3.58Å; R214-Y218 VanDerWaalsContact NH1-CD1 3.29Å; T215-Y218 WeakPolarHBondContact O-CB 3.03Å; T215-Y218 PolarHBondContact O-N 3.26Å; T215-Y218 VanDerWaalsContact O-N 3.16Å; P216-Y218 VanDerWaalsContact C-N 3.28Å; P216-Y218 PolarHBondContact O-N 2.96Å; Y218-Q220 VanDerWaalsContact C-N 3.31Å; Y218-Q220 PolarHBondContact O-N 3.26Å; Y218-I221 PolarHBondContact O-N 3.05Å; Y218-R222 HydrophobicContact CD1-CB 4.34Å; Y218-R222 HydrophobicContact CE1-CB 3.87Å; Y218-R222 HydrophobicContact CE1-CG 4.01Å; Y218-R222 WeakPolarHBondContact O-CB 3.17Å; Y218-R222 PolarHBondContact O-N 2.82Å
219	V	93.6	Very high	92.3	Very high	42 Å²	42	63.1 Å²	63.1	26%	0.255	30%	0.304	S	S	.	.	H	α-helix	trans	-67.8	-34.2	-179.7	179.9	0	0	0	0	111.1	D217 I221 E223	D217-V219 PolarHBondContact O-N 2.82Å; V219-I221 VanDerWaalsContact C-N 3.35Å; V219-I221 PolarHBondContact O-N 2.69Å; V219-E223 VanDerWaalsContact CG1-CD 3.48Å; V219-E223 HydrophobicContact CG1-CG 4.14Å; V219-E223 WeakPolarHBondContact CG1-OE2 3.08Å; V219-E223 WeakPolarHBondContact O-CB 3.02Å; V219-E223 WeakPolarHBondContact O-CG 3.23Å; V219-E223 PolarHBondContact O-N 2.92Å; V219-E223 VanDerWaalsContact O-N 3.08Å
220	Q	95.8	Very high	93.1	Very high	83 Å²	83	56.9 Å²	56.9	39%	0.388	28%	0.276	S	S	.	.	H	α-helix	trans	-66.8	-37.7	178.2	-55.9	-61.8	-31.5	0	0	111.9	D217 Y218 K225 R226	D217-Q220 WeakPolarHBondContact O-CB 3.44Å; D217-Q220 PolarHBondContact O-N 2.87Å; Y218-Q220 VanDerWaalsContact C-N 3.31Å; Y218-Q220 PolarHBondContact O-N 3.26Å; Q220-K225 HydrophobicContact CB-CB 4.5Å; Q220-K225 CarbonylContact O-C 3.58Å; Q220-K225 WeakPolarHBondContact O-CB 3.14Å; Q220-K225 PolarHBondContact O-N 2.91Å; Q220-K225 VanDerWaalsContact OE1-CB 3.32Å; Q220-K225 VanDerWaalsContact OE1-CD 3.31Å; Q220-R226 HydrophobicContact CB-CB 4.19Å; Q220-R226 PolarHBondContact O-N 3.4Å
221	I	95.9	Very high	93.9	Very high	4 Å²	4	60.8 Å²	60.8	2%	0.021	30%	0.302	C	S	.	.	H	α-helix	trans	-75.5	-49.1	176.7	-65.9	169.9	0	0	0	110.1	M192 F202 D217 Y218 V219 E223 W224 F230 L283 N285	M192-I221 WeakPolarHBondContact CE-O 3.39Å; M192-I221 HydrophobicContact SD-CG2 3.93Å; F202-I221 HydrophobicContact CE2-CG2 4.16Å; F202-I221 HydrophobicContact CZ-CB 4.42Å; F202-I221 HydrophobicContact CZ-CG2 3.85Å; D217-I221 HydrophobicContact CB-CD1 4.18Å; D217-I221 WeakPolarHBondContact O-CG1 3.31Å; D217-I221 PolarHBondContact O-N 3.25Å; Y218-I221 PolarHBondContact O-N 3.05Å; V219-I221 VanDerWaalsContact C-N 3.35Å; V219-I221 PolarHBondContact O-N 2.69Å; I221-E223 VanDerWaalsContact C-N 3.31Å; I221-E223 PolarHBondContact O-N 3.33Å; I221-W224 PolarHBondContact O-N 2.9Å; I221-W224 VanDerWaalsContact O-N 3.13Å; I221-F230 HydrophobicContact CB-CD2 4.48Å; I221-F230 HydrophobicContact CB-CE2 4.37Å; I221-F230 HydrophobicContact CD1-CB 4.14Å; I221-F230 HydrophobicContact CD1-CD1 4.23Å; I221-F230 HydrophobicContact CD1-CD2 3.68Å; I221-F230 HydrophobicContact CD1-CE2 4.13Å; I221-F230 HydrophobicContact CD1-CG 3.73Å; I221-F230 HydrophobicContact CG1-CD2 3.82Å; I221-F230 HydrophobicContact CG1-CE2 3.75Å; I221-F230 HydrophobicContact CG1-CG 4.26Å; I221-F230 HydrophobicContact CG1-CZ 4.16Å; I221-F230 HydrophobicContact CG2-CD2 3.83Å; I221-F230 HydrophobicContact CG2-CE2 3.9Å; I221-L283 HydrophobicContact CG2-CD2 3.8Å; I221-N285 PolarHBondContact O-ND2 2.91Å
222	R	94.4	Very high	94.5	Very high	10 Å²	10	58 Å²	58	4%	0.038	29%	0.29	C	S	.	.	H	α-helix	trans	-65.4	-28.4	-174.6	-179.2	54.5	-178.5	84.8	2	114.5	S195 G197 L198 Y199 F202 Y218 W224	S195-R222 PolarHBondContact O-NH2 2.92Å; S195-R222 PolarHBondContact OG-NH2 3.47Å; G197-R222 PolarHBondContact O-NH2 3Å; G197-R222 VanDerWaalsContact O-NH2 3.12Å; L198-R222 HydrophobicContact CD2-CG 4.3Å; Y199-R222 PolarHBondContact O-NE 2.71Å; Y199-R222 PolarHBondContact O-NH2 3.33Å; Y199-R222 VanDerWaalsContact O-NH2 3.13Å; F202-R222 HydrophobicContact CZ-CB 4.34Å; Y218-R222 HydrophobicContact CD1-CB 4.34Å; Y218-R222 HydrophobicContact CE1-CB 3.87Å; Y218-R222 HydrophobicContact CE1-CG 4.01Å; Y218-R222 WeakPolarHBondContact O-CB 3.17Å; Y218-R222 PolarHBondContact O-N 2.82Å; R222-W224 WeakPolarHBondContact O-CZ3 3.39Å
223	E	93.5	Very high	94.9	Very high	86 Å²	86	59.3 Å²	59.3	40%	0.402	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.9	19.3	177.3	-59.2	179.7	163.1	0	0	112.5	V219 I221 K225	V219-E223 VanDerWaalsContact CG1-CD 3.48Å; V219-E223 HydrophobicContact CG1-CG 4.14Å; V219-E223 WeakPolarHBondContact CG1-OE2 3.08Å; V219-E223 WeakPolarHBondContact O-CB 3.02Å; V219-E223 WeakPolarHBondContact O-CG 3.23Å; V219-E223 PolarHBondContact O-N 2.92Å; V219-E223 VanDerWaalsContact O-N 3.08Å; I221-E223 VanDerWaalsContact C-N 3.31Å; I221-E223 PolarHBondContact O-N 3.33Å; E223-K225 HydrophobicContact CB-CD 4.41Å; E223-K225 HydrophobicContact CB-CG 4.36Å; E223-K225 PolarHBondContact O-N 3.41Å; E223-K225 WeakPolarHBondContact OE2-CE 3.22Å; E223-K225 IonicContact OE2-NZ 3.03Å; E223-K225 PolarHBondContact OE2-NZ 3.47Å
224	W	94.9	Very high	95.2	Very high	70 Å²	70	53.6 Å²	53.6	27%	0.265	28%	0.276	S	S	.	.	S	Bend	trans	55.2	9.4	-179.8	-76.5	-97.1	0	0	0	116.6	M192 E194 I221 R222 R226 N285 E287	M192-W224 HydrophobicContact CE-CD2 3.58Å; M192-W224 VanDerWaalsContact CE-CE2 3.4Å; M192-W224 HydrophobicContact CE-CE3 3.61Å; M192-W224 HydrophobicContact CE-CG 4.44Å; M192-W224 HydrophobicContact CE-CH2 3.34Å; M192-W224 HydrophobicContact CE-CZ2 3.3Å; M192-W224 HydrophobicContact CE-CZ3 3.5Å; E194-W224 HydrophobicContact CB-CH2 4.11Å; I221-W224 PolarHBondContact O-N 2.9Å; I221-W224 VanDerWaalsContact O-N 3.13Å; R222-W224 WeakPolarHBondContact O-CZ3 3.39Å; W224-R226 PolarHBondContact O-N 3.21Å; W224-N285 PolarHBondContact NE1-O 3.46Å; W224-E287 PolarHBondContact NE1-O 3.47Å
225	K	95.3	Very high	95.6	Very high	131 Å²	131	48.6 Å²	48.6	57%	0.57	26%	0.257	S	S	*	.	S	Bend	trans	-59.2	-28	173.6	-65.2	171.3	175.3	164	0	112.4	Q220 E223	Q220-K225 HydrophobicContact CB-CB 4.5Å; Q220-K225 CarbonylContact O-C 3.58Å; Q220-K225 WeakPolarHBondContact O-CB 3.14Å; Q220-K225 PolarHBondContact O-N 2.91Å; Q220-K225 VanDerWaalsContact OE1-CB 3.32Å; Q220-K225 VanDerWaalsContact OE1-CD 3.31Å; E223-K225 HydrophobicContact CB-CD 4.41Å; E223-K225 HydrophobicContact CB-CG 4.36Å; E223-K225 PolarHBondContact O-N 3.41Å; E223-K225 WeakPolarHBondContact OE2-CE 3.22Å; E223-K225 IonicContact OE2-NZ 3.03Å; E223-K225 PolarHBondContact OE2-NZ 3.47Å
226	R	96.1	Very high	95.8	Very high	123 Å²	123	47.4 Å²	47.4	46%	0.464	25%	0.249	S	C	.	.	S	Bend	trans	-125.6	109	169.8	-170	-175.9	177.7	-171	-5.3	108.7	D217 Q220 W224 F230 N285	D217-R226 IonicContact OD1-NH1 3.35Å; D217-R226 PolarHBondContact OD1-NH1 3.19Å; Q220-R226 HydrophobicContact CB-CB 4.19Å; Q220-R226 PolarHBondContact O-N 3.4Å; W224-R226 PolarHBondContact O-N 3.21Å; R226-F230 HydrophobicContact CB-CZ 4.46Å; R226-F230 HydrophobicContact CG-CE1 3.98Å; R226-F230 HydrophobicContact CG-CZ 3.86Å; R226-F230 WeakPolarHBondContact O-CZ 3.47Å; R226-N285 PolarHBondContact O-ND2 3.09Å
227	S	97.3	Very high	95.9	Very high	70 Å²	70	42.6 Å²	42.6	49%	0.49	22%	0.218	S	C	.	.			trans	-96.1	143.9	177.6	-173.5	0	0	0	0	112.1	N285 R286	S227-N285 VanDerWaalsContact CA-OD1 3.27Å; S227-N285 WeakPolarHBondContact CA-OD1 3.47Å; S227-N285 PolarHBondContact OG-O 2.82Å; S227-N285 VanDerWaalsContact OG-O 3.12Å; S227-R286 WeakPolarHBondContact OG-CA 3.48Å
228	G	97.8	Very high	96.2	Very high	7 Å²	7	39.1 Å²	39.1	7%	0.072	20%	0.2	C	C	.	.	S	Bend	trans	158.4	-156.5	179.5	0	0	0	0	0	113.3	C284 N285	G228-C284 WeakPolarHBondContact O-CA 3.44Å; G228-N285 PolarHBondContact N-OD1 2.94Å; G228-N285 PolarHBondContact O-N 3.47Å; G228-N285 PolarHBondContact O-OD1 3.21Å; G228-N285 VanDerWaalsContact O-OD1 3.06Å
229	C	98.2	Very high	96.4	Very high	25 Å²	25	39.2 Å²	39.2	17%	0.169	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	120.7	168.5	-66.5	0	0	0	0	109.5	E184 L283 C284	E184-C229 PolarHBondContact OE1-SG 3.41Å; C229-L283 CarbonylContact C-O 3.56Å; C229-L283 VanDerWaalsContact CA-O 3.22Å; C229-L283 WeakPolarHBondContact CA-O 3.4Å; C229-C284 HydrophobicContact CB-CB 4.2Å; C229-C284 WeakPolarHBondContact CB-SG 3.48Å; C229-C284 VanDerWaalsContact SG-CA 3.56Å; C229-C284 WeakPolarHBondContact SG-CB 3.41Å; C229-C284 CovalentContact SG-SG 2.03Å; C229-C284 PolarHBondContact SG-SG 3.16Å
230	F	98.3	Very high	96.6	Very high	18 Å²	18	37.2 Å²	37.2	8%	0.079	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	138.1	-165.5	-52.2	-73.1	0	0	0	111.3	I221 R226 V232 Y282 L283 N285	I221-F230 HydrophobicContact CB-CD2 4.48Å; I221-F230 HydrophobicContact CB-CE2 4.37Å; I221-F230 HydrophobicContact CD1-CB 4.14Å; I221-F230 HydrophobicContact CD1-CD1 4.23Å; I221-F230 HydrophobicContact CD1-CD2 3.68Å; I221-F230 HydrophobicContact CD1-CE2 4.13Å; I221-F230 HydrophobicContact CD1-CG 3.73Å; I221-F230 HydrophobicContact CG1-CD2 3.82Å; I221-F230 HydrophobicContact CG1-CE2 3.75Å; I221-F230 HydrophobicContact CG1-CG 4.26Å; I221-F230 HydrophobicContact CG1-CZ 4.16Å; I221-F230 HydrophobicContact CG2-CD2 3.83Å; I221-F230 HydrophobicContact CG2-CE2 3.9Å; R226-F230 HydrophobicContact CB-CZ 4.46Å; R226-F230 HydrophobicContact CG-CE1 3.98Å; R226-F230 HydrophobicContact CG-CZ 3.86Å; R226-F230 WeakPolarHBondContact O-CZ 3.47Å; F230-V232 PolarHBondContact O-N 3.44Å; F230-Y282 CarbonylContact O-C 3.5Å; F230-Y282 VanDerWaalsContact O-CA 3.27Å; F230-Y282 WeakPolarHBondContact O-CA 3.42Å; F230-L283 PolarHBondContact N-O 2.8Å; F230-L283 PolarHBondContact O-N 2.89Å; F230-N285 VanDerWaalsContact CE2-OD1 3.31Å; F230-N285 WeakPolarHBondContact CE2-OD1 3.46Å
231	P	98.1	Very high	96.8	Very high	82 Å²	82	33.3 Å²	33.3	53%	0.532	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66	125.7	166.4	29.5	-32.6	0	0	0	108.7	Q280 Y282	P231-Q280 HydrophobicContact CB-CG 3.73Å; P231-Y282 HydrophobicContact CB-CD1 4.41Å; P231-Y282 HydrophobicContact CB-CE1 4.04Å
232	V	97.4	Very high	96.9	Very high	2 Å²	2	33.1 Å²	33.1	1%	0.012	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	146	178.5	-69.3	0	0	0	0	109.9	F202 F230 M234 V235 Q280 M281 L283	F202-V232 HydrophobicContact CD2-CG1 4.21Å; F230-V232 PolarHBondContact O-N 3.44Å; V232-M234 PolarHBondContact O-N 3.33Å; V232-V235 HydrophobicContact CG2-CG1 3.49Å; V232-V235 VanDerWaalsContact CG2-CG1 3.49Å; V232-Q280 PolarHBondContact O-NE2 2.98Å; V232-M281 HydrophobicContact CG2-CB 4.49Å; V232-M281 PolarHBondContact N-O 3.38Å; V232-L283 HydrophobicContact CG1-CB 4.21Å; V232-L283 HydrophobicContact CG2-CB 4.02Å
233	P	95.6	Very high	97.1	Very high	45 Å²	45	33.7 Å²	33.7	29%	0.292	17%	0.172	S	C	.	.	S	Bend	trans	-66.5	-20.9	177.1	26	-35.9	0	0	0	113.8	W203 I206	W203-P233 WeakPolarHBondContact O-CD 3.31Å; W203-P233 WeakPolarHBondContact O-CG 3.42Å; I206-P233 HydrophobicContact CD1-CB 4.1Å; I206-P233 HydrophobicContact CG1-CB 3.96Å; I206-P233 HydrophobicContact CG1-CG 4.47Å; I206-P233 HydrophobicContact CG2-CB 4.18Å; I206-P233 HydrophobicContact CG2-CG 4.28Å
234	M	95.1	Very high	97.3	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.005	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	135.9	-180	-165.5	175.4	-61.8	0	0	112.2	F202 W203 I206 V232 I267 I268 A271	F202-M234 WeakPolarHBondContact CA-O 3.37Å; W203-M234 HydrophobicContact CB-CB 4.16Å; W203-M234 HydrophobicContact CD2-CB 4.41Å; W203-M234 HydrophobicContact CD2-CE 4.32Å; W203-M234 HydrophobicContact CD2-SD 3.72Å; W203-M234 HydrophobicContact CE3-CB 4.23Å; W203-M234 HydrophobicContact CE3-CE 3.41Å; W203-M234 VanDerWaalsContact CE3-CE 3.41Å; W203-M234 HydrophobicContact CE3-CG 4.46Å; W203-M234 HydrophobicContact CE3-SD 3.41Å; W203-M234 HydrophobicContact CG-CB 4.4Å; W203-M234 HydrophobicContact CG-SD 4.47Å; W203-M234 HydrophobicContact CH2-CE 4.13Å; W203-M234 HydrophobicContact CH2-SD 4.04Å; W203-M234 HydrophobicContact CZ2-SD 4.31Å; W203-M234 HydrophobicContact CZ3-CE 3.29Å; W203-M234 HydrophobicContact CZ3-SD 3.59Å; W203-M234 VanDerWaalsContact CZ3-SD 3.59Å; W203-M234 PolarHBondContact N-O 2.75Å; I206-M234 HydrophobicContact CG2-CE 4.41Å; V232-M234 PolarHBondContact O-N 3.33Å; M234-I267 HydrophobicContact SD-CB 4.17Å; M234-I267 HydrophobicContact SD-CD1 3.58Å; M234-I267 VanDerWaalsContact SD-CD1 3.58Å; M234-I267 HydrophobicContact SD-CG1 3.65Å; M234-I268 HydrophobicContact CE-CG1 4.21Å; M234-A271 HydrophobicContact CB-CB 4.47Å; M234-A271 HydrophobicContact CE-CB 3.65Å; M234-A271 HydrophobicContact CG-CB 4.05Å; M234-A271 HydrophobicContact SD-CB 4.48Å
235	V	97.8	Very high	97.5	Very high	2 Å²	2	34.7 Å²	34.7	1%	0.012	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	150.9	158.3	-58.7	0	0	0	0	108.1	I188 A190 F202 V232 F239 M281 L283	I188-V235 HydrophobicContact CG2-CG2 4.02Å; A190-V235 HydrophobicContact CB-CB 3.6Å; A190-V235 HydrophobicContact CB-CG1 3.64Å; A190-V235 HydrophobicContact CB-CG2 3.94Å; F202-V235 HydrophobicContact CB-CG1 4.34Å; V232-V235 HydrophobicContact CG2-CG1 3.49Å; V232-V235 VanDerWaalsContact CG2-CG1 3.49Å; V235-F239 HydrophobicContact CG2-CB 3.95Å; V235-F239 HydrophobicContact CG2-CD1 4.42Å; V235-F239 HydrophobicContact CG2-CG 4.22Å; V235-M281 HydrophobicContact CG1-CB 4.42Å; V235-M281 HydrophobicContact CG2-CB 4.25Å; V235-M281 HydrophobicContact CG2-CG 4.35Å; V235-M281 HydrophobicContact CG2-SD 3.87Å; V235-M281 PolarHBondContact N-SD 3.02Å; V235-M281 VanDerWaalsContact N-SD 3.38Å; V235-L283 HydrophobicContact CG1-CB 4.36Å
236	H	96.4	Very high	97.5	Very high	6 Å²	6	35.8 Å²	35.8	3%	0.028	18%	0.181	C	C	.	.			trans	-145.4	176.4	177	62.4	86.8	0	0	0	111.6	Y199 S200 N201 T238 I267	Y199-H236 PolarHBondContact OH-CE1 2.64Å; S200-H236 PolarHBondContact O-NE2 2.91Å; N201-H236 VanDerWaalsContact CA-CE1 3.5Å; N201-H236 WeakPolarHBondContact CA-CE1 3.47Å; N201-H236 WeakPolarHBondContact CB-O 3.33Å; N201-H236 PolarHBondContact O-N 3.26Å; H236-T238 PolarHBondContact O-N 3.27Å; H236-I267 HydrophobicContact CB-CB 3.9Å; H236-I267 HydrophobicContact CB-CD1 4.11Å; H236-I267 HydrophobicContact CB-CG2 3.57Å
237	S	95.8	Very high	97.5	Very high	14 Å²	14	31.7 Å²	31.7	10%	0.098	17%	0.174	C	C	.	.	S	Bend	trans	58.9	-38.6	174.6	-57.5	0	0	0	0	118.5	I166 D167 N170	I166-S237 CarbonylContact C-O 3.53Å; I166-S237 WeakPolarHBondContact CA-O 3.42Å; D167-S237 PolarHBondContact N-O 3.04Å; D167-S237 WeakPolarHBondContact OD2-CA 3.37Å; D167-S237 WeakPolarHBondContact OD2-CB 3.49Å; D167-S237 PolarHBondContact OD2-OG 3.35Å; N170-S237 WeakPolarHBondContact ND2-CB 3.32Å
238	T	98.4	Very high	97.4	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	118.6	167.4	-53.9	0	0	0	0	110.8	L164 F165 I166 N170 L172 A190 P191 H236	L164-T238 HydrophobicContact CD1-CG2 4.15Å; F165-T238 VanDerWaalsContact O-CA 3.28Å; F165-T238 WeakPolarHBondContact O-CA 3.37Å; I166-T238 HydrophobicContact CB-CG2 4.23Å; I166-T238 HydrophobicContact CD1-CG2 4.37Å; I166-T238 HydrophobicContact CG1-CG2 3.92Å; N170-T238 VanDerWaalsContact CB-OG1 3.28Å; N170-T238 WeakPolarHBondContact CB-OG1 3.4Å; N170-T238 PolarHBondContact ND2-OG1 3.34Å; L172-T238 HydrophobicContact CD1-CG2 4.45Å; L172-T238 HydrophobicContact CD2-CG2 4.23Å; A190-T238 VanDerWaalsContact CB-O 3.29Å; A190-T238 WeakPolarHBondContact CB-O 3.47Å; P191-T238 HydrophobicContact CG-CG2 3.98Å; H236-T238 PolarHBondContact O-N 3.27Å
239	F	98.8	Very high	97.4	Very high	2 Å²	2	32.4 Å²	32.4	1%	0.009	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.2	149.3	177.3	56.1	-87.6	0	0	0	111.7	F165 I188 V189 A190 V235 I241 F253 F270	F165-F239 HydrophobicContact CB-CD1 4.46Å; F165-F239 HydrophobicContact CB-CD2 4.45Å; F165-F239 HydrophobicContact CB-CE1 4.07Å; F165-F239 HydrophobicContact CB-CE2 4.07Å; F165-F239 HydrophobicContact CB-CZ 3.87Å; F165-F239 HydrophobicContact CD2-CD2 4.3Å; F165-F239 AromaticContact CD2-CE2 3.57Å; F165-F239 HydrophobicContact CD2-CE2 3.57Å; F165-F239 AromaticContact CD2-CZ 3.92Å; F165-F239 HydrophobicContact CD2-CZ 3.92Å; F165-F239 HydrophobicContact CE2-CE2 4.41Å; F165-F239 HydrophobicContact CG-CE2 4.1Å; F165-F239 HydrophobicContact CG-CZ 4.02Å; F165-F239 PolarHBondContact N-O 2.92Å; F165-F239 PolarHBondContact O-N 2.93Å; I188-F239 HydrophobicContact CG2-CB 4.46Å; I188-F239 HydrophobicContact CG2-CD2 4.13Å; V189-F239 WeakPolarHBondContact O-CA 3.1Å; A190-F239 HydrophobicContact CB-CB 4.03Å; V235-F239 HydrophobicContact CG2-CB 3.95Å; V235-F239 HydrophobicContact CG2-CD1 4.42Å; V235-F239 HydrophobicContact CG2-CG 4.22Å; F239-I241 HydrophobicContact CD2-CG1 4.06Å; F239-I241 HydrophobicContact CE2-CD1 4.1Å; F239-I241 HydrophobicContact CE2-CG1 4.1Å; F239-F253 HydrophobicContact CE2-CZ 4.13Å; F239-F253 HydrophobicContact CZ-CE1 4.11Å; F239-F253 AromaticContact CZ-CZ 3.9Å; F239-F253 HydrophobicContact CZ-CZ 3.9Å; F239-F270 HydrophobicContact CD2-CE1 4.33Å; F239-F270 HydrophobicContact CE2-CD1 4.35Å; F239-F270 AromaticContact CE2-CE1 3.5Å; F239-F270 HydrophobicContact CE2-CE1 3.5Å; F239-F270 AromaticContact CE2-CZ 3.91Å; F239-F270 HydrophobicContact CE2-CZ 3.91Å; F239-F270 HydrophobicContact CZ-CD1 4.03Å; F239-F270 AromaticContact CZ-CE1 3.65Å; F239-F270 HydrophobicContact CZ-CE1 3.65Å; F239-F270 HydrophobicContact CZ-CZ 4.33Å
240	L	98.9	Very high	97.3	Very high	1 Å²	1	37.3 Å²	37.3	1%	0.005	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	135.1	176.4	-169.9	74.3	0	0	0	109.6	V55 Y162 I163 L164 L178 L181 I182 I188 V189	V55-L240 HydrophobicContact CG1-CD1 4.37Å; Y162-L240 HydrophobicContact CD1-CD1 4.23Å; Y162-L240 HydrophobicContact CD1-CD2 3.63Å; Y162-L240 HydrophobicContact CD1-CG 3.79Å; Y162-L240 HydrophobicContact CE1-CD2 3.92Å; Y162-L240 HydrophobicContact CG-CD1 4.4Å; Y162-L240 HydrophobicContact CG-CD2 4.36Å; Y162-L240 HydrophobicContact CG-CG 4.44Å; I163-L240 WeakPolarHBondContact O-CA 3.34Å; L164-L240 HydrophobicContact CB-CD1 3.92Å; L164-L240 HydrophobicContact CD1-CD1 4.41Å; L178-L240 HydrophobicContact CD1-CD1 3.69Å; L178-L240 HydrophobicContact CD1-CD2 4.23Å; L181-L240 HydrophobicContact CB-CB 4.37Å; L181-L240 HydrophobicContact CB-CD2 3.78Å; L181-L240 HydrophobicContact CD1-CB 4.4Å; I182-L240 HydrophobicContact CG1-CD2 3.74Å; I188-L240 WeakPolarHBondContact CA-O 3.48Å; V189-L240 HydrophobicContact CG1-CB 4.17Å; V189-L240 PolarHBondContact N-O 3.01Å; V189-L240 PolarHBondContact O-N 3.41Å
241	I	98.9	Very high	97.2	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	130.9	169.1	-47	-179.9	0	0	0	109	Y162 I163 F165 T187 I188 F239 L243 L251 F270	Y162-I241 VanDerWaalsContact CA-O 3.25Å; Y162-I241 WeakPolarHBondContact CA-O 3.24Å; Y162-I241 WeakPolarHBondContact CD1-O 3.44Å; I163-I241 HydrophobicContact CG2-CB 3.76Å; I163-I241 HydrophobicContact CG2-CD1 4.08Å; I163-I241 HydrophobicContact CG2-CG1 4.12Å; I163-I241 PolarHBondContact N-O 3.44Å; I163-I241 PolarHBondContact O-N 3.21Å; F165-I241 HydrophobicContact CD2-CD1 4.14Å; F165-I241 HydrophobicContact CE2-CD1 3.82Å; T187-I241 VanDerWaalsContact O-CA 3.28Å; T187-I241 WeakPolarHBondContact O-CA 3.39Å; T187-I241 WeakPolarHBondContact O-CG2 3.41Å; I188-I241 HydrophobicContact CG1-CG1 4.41Å; I188-I241 HydrophobicContact CG1-CG2 4.47Å; F239-I241 HydrophobicContact CD2-CG1 4.06Å; F239-I241 HydrophobicContact CE2-CD1 4.1Å; F239-I241 HydrophobicContact CE2-CG1 4.1Å; I241-L243 HydrophobicContact CB-CD2 4.48Å; I241-L243 HydrophobicContact CG2-CD2 4Å; I241-L251 HydrophobicContact CD1-CD1 4.2Å; I241-L251 HydrophobicContact CG2-CD1 3.73Å; I241-F270 HydrophobicContact CD1-CZ 4.06Å
242	D	98.7	Very high	97.2	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.005	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	106.8	170.1	-170.5	-18.7	0	0	0	109.6	Y162 K186 T187 R244 K245 S248	Y162-D242 HydrophobicContact CD1-CB 3.86Å; Y162-D242 HydrophobicContact CE1-CB 3.59Å; K186-D242 WeakPolarHBondContact O-CB 3.1Å; T187-D242 PolarHBondContact O-N 2.99Å; D242-R244 VanDerWaalsContact C-N 3.34Å; D242-R244 WeakPolarHBondContact OD1-CB 3.31Å; D242-R244 IonicContact OD1-CZ 3.69Å; D242-R244 PolarHBondContact OD1-N 3.25Å; D242-R244 IonicContact OD1-NE 3.33Å; D242-R244 PolarHBondContact OD1-NE 2.65Å; D242-R244 IonicContact OD1-NH2 3.52Å; D242-R244 PolarHBondContact OD1-NH2 2.91Å; D242-R244 IonicContact OD2-CZ 2.61Å; D242-R244 IonicContact OD2-NE 2.76Å; D242-R244 IonicContact OD2-NH2 3.7Å; D242-R244 PolarHBondContact OD2-NH2 2.74Å; D242-K245 HydrophobicContact CB-CD 4.2Å; D242-K245 HydrophobicContact CB-CG 4.38Å; D242-K245 VanDerWaalsContact OD2-CE 3.23Å; D242-K245 WeakPolarHBondContact OD2-CE 3.45Å; D242-K245 IonicContact OD2-NZ 3.93Å; D242-S248 WeakPolarHBondContact O-CB 3.47Å
243	L	98.7	Very high	97.1	Very high	21 Å²	21	34.9 Å²	34.9	11%	0.11	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-11.5	-174.8	-63	179.6	0	0	0	113	L152 A155 S160 D161 I163 I241 K245 S248	L152-L243 HydrophobicContact CD1-CD2 3.72Å; A155-L243 HydrophobicContact CB-CD1 3.57Å; S160-L243 WeakPolarHBondContact O-CD1 3.38Å; D161-L243 PolarHBondContact O-N 3.38Å; I163-L243 HydrophobicContact CB-CD1 4.08Å; I163-L243 HydrophobicContact CG2-CD1 3.87Å; I163-L243 HydrophobicContact CG2-CD2 3.92Å; I163-L243 HydrophobicContact CG2-CG 4Å; I241-L243 HydrophobicContact CB-CD2 4.48Å; I241-L243 HydrophobicContact CG2-CD2 4Å; L243-K245 PolarHBondContact O-N 2.91Å; L243-S248 PolarHBondContact O-OG 3.18Å
244	R	98	Very high	97.2	Very high	124 Å²	124	36.2 Å²	36.2	47%	0.468	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76	-8.9	176.4	-53	164.7	-62.4	176.6	15.7	112.7	D161 Y162 D242	D161-R244 HydrophobicContact CB-CG 3.99Å; D161-R244 VanDerWaalsContact OD1-CD 3.26Å; D161-R244 WeakPolarHBondContact OD1-CD 3.28Å; Y162-R244 VanDerWaalsContact CZ-NH2 3.3Å; Y162-R244 PolarHBondContact OH-NH2 3.41Å; D242-R244 VanDerWaalsContact C-N 3.34Å; D242-R244 WeakPolarHBondContact OD1-CB 3.31Å; D242-R244 IonicContact OD1-CZ 3.69Å; D242-R244 PolarHBondContact OD1-N 3.25Å; D242-R244 IonicContact OD1-NE 3.33Å; D242-R244 PolarHBondContact OD1-NE 2.65Å; D242-R244 IonicContact OD1-NH2 3.52Å; D242-R244 PolarHBondContact OD1-NH2 2.91Å; D242-R244 IonicContact OD2-CZ 2.61Å; D242-R244 IonicContact OD2-NE 2.76Å; D242-R244 IonicContact OD2-NH2 3.7Å; D242-R244 PolarHBondContact OD2-NH2 2.74Å
245	K	97.5	Very high	97.3	Very high	53 Å²	53	40.2 Å²	40.2	23%	0.23	20%	0.199	C	C	.	.	S	Bend	trans	-92.9	120.3	179.7	-64.3	-175.1	176.8	179.2	0	109.4	N185 T187 D242 L243 A247 S248	N185-K245 PolarHBondContact O-NZ 2.97Å; N185-K245 WeakPolarHBondContact OD1-CE 3.29Å; N185-K245 PolarHBondContact OD1-NZ 2.79Å; T187-K245 HydrophobicContact CG2-CB 4.4Å; T187-K245 WeakPolarHBondContact OG1-CD 3.17Å; D242-K245 HydrophobicContact CB-CD 4.2Å; D242-K245 HydrophobicContact CB-CG 4.38Å; D242-K245 VanDerWaalsContact OD2-CE 3.23Å; D242-K245 WeakPolarHBondContact OD2-CE 3.45Å; D242-K245 IonicContact OD2-NZ 3.93Å; L243-K245 PolarHBondContact O-N 2.91Å; K245-A247 PolarHBondContact O-N 3.49Å; K245-S248 WeakPolarHBondContact O-CA 3.39Å; K245-S248 WeakPolarHBondContact O-CB 3.43Å; K245-S248 PolarHBondContact O-N 3.13Å; K245-S248 PolarHBondContact O-OG 3.17Å
246	E	96.2	Very high	97.2	Very high	154 Å²	154	41.8 Å²	41.8	72%	0.72	21%	0.21	S	C	*	.	G	3₁₀ helix	trans	-47.3	-38.1	178.8	-172.5	-162.6	154.6	0	0	113.4	S248 D249	E246-S248 PolarHBondContact O-N 3Å; E246-S248 VanDerWaalsContact O-N 3.15Å; E246-D249 WeakPolarHBondContact O-CB 3.45Å; E246-D249 PolarHBondContact O-N 3.18Å; E246-D249 VanDerWaalsContact O-N 3.12Å
247	A	94.9	Very high	97.1	Very high	38 Å²	38	44.9 Å²	44.9	31%	0.314	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-55.3	-35.2	176.5	0	0	0	0	0	112.6	K245 D249 K250 I279	K245-A247 PolarHBondContact O-N 3.49Å; A247-D249 PolarHBondContact O-N 3.1Å; A247-K250 PolarHBondContact O-N 3.22Å; A247-I279 HydrophobicContact CB-CD1 4.08Å; A247-I279 HydrophobicContact CB-CG1 4.04Å; A247-I279 WeakPolarHBondContact O-CD1 3.41Å
248	S	97.1	Very high	97	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-63.6	-22.3	-178.2	79.6	0	0	0	0	113.4	R156 D242 L243 K245 E246 K250 L251	R156-S248 PolarHBondContact NH2-O 3.3Å; D242-S248 WeakPolarHBondContact O-CB 3.47Å; L243-S248 PolarHBondContact O-OG 3.18Å; K245-S248 WeakPolarHBondContact O-CA 3.39Å; K245-S248 WeakPolarHBondContact O-CB 3.43Å; K245-S248 PolarHBondContact O-N 3.13Å; K245-S248 PolarHBondContact O-OG 3.17Å; E246-S248 PolarHBondContact O-N 3Å; E246-S248 VanDerWaalsContact O-N 3.15Å; S248-K250 PolarHBondContact O-N 2.51Å; S248-L251 VanDerWaalsContact O-CB 3.31Å; S248-L251 WeakPolarHBondContact O-CB 3.38Å; S248-L251 PolarHBondContact O-N 2.7Å
249	D	96.6	Very high	96.7	Very high	91 Å²	91	56.6 Å²	56.6	49%	0.487	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-60.6	-31.2	178.7	-72.3	-42.7	0	0	0	112.4	R156 E246 A247 L251	R156-D249 IonicContact NE-OD1 2.76Å; R156-D249 PolarHBondContact NH1-O 2.63Å; R156-D249 PolarHBondContact NH2-O 3.19Å; E246-D249 WeakPolarHBondContact O-CB 3.45Å; E246-D249 PolarHBondContact O-N 3.18Å; E246-D249 VanDerWaalsContact O-N 3.12Å; A247-D249 PolarHBondContact O-N 3.1Å; D249-L251 VanDerWaalsContact C-N 3.29Å; D249-L251 PolarHBondContact O-N 2.66Å
250	K	96.3	Very high	96.4	Very high	129 Å²	129	58 Å²	58	56%	0.561	29%	0.286	S	S	*	.	G	3₁₀ helix	trans	-74.9	-14.1	178.9	-59.1	175.2	-173.7	173.3	0	113.5	A247 S248 T252 A277	A247-K250 PolarHBondContact O-N 3.22Å; S248-K250 PolarHBondContact O-N 2.51Å; K250-T252 PolarHBondContact O-N 3.27Å; K250-A277 HydrophobicContact CB-CB 3.68Å
251	L	96.8	Very high	96	Very high	0 Å²	0	63.7 Å²	63.7	0%	0	32%	0.32	C	S	.	.			trans	-69.1	130.6	179.6	-65.9	173.4	0	0	0	111.3	L152 R156 I188 I241 S248 D249 F270 S274 A277 I279	L152-L251 HydrophobicContact CD2-CB 4.47Å; R156-L251 PolarHBondContact NH2-O 3.31Å; I188-L251 HydrophobicContact CD1-CD1 3.94Å; I188-L251 HydrophobicContact CD1-CD2 4.01Å; I188-L251 HydrophobicContact CG1-CD1 4.17Å; I241-L251 HydrophobicContact CD1-CD1 4.2Å; I241-L251 HydrophobicContact CG2-CD1 3.73Å; S248-L251 VanDerWaalsContact O-CB 3.31Å; S248-L251 WeakPolarHBondContact O-CB 3.38Å; S248-L251 PolarHBondContact O-N 2.7Å; D249-L251 VanDerWaalsContact C-N 3.29Å; D249-L251 PolarHBondContact O-N 2.66Å; L251-F270 HydrophobicContact CB-CE2 4.46Å; L251-F270 HydrophobicContact CD2-CE2 4.29Å; L251-F270 HydrophobicContact CD2-CZ 4.49Å; L251-S274 WeakPolarHBondContact CD2-OG 3.28Å; L251-A277 HydrophobicContact CD2-CB 4.4Å; L251-I279 HydrophobicContact CD1-CD1 3.93Å; L251-I279 HydrophobicContact CD2-CD1 3.58Å; L251-I279 HydrophobicContact CG-CD1 3.63Å
252	T	96.6	Very high	95.5	Very high	49 Å²	49	65.8 Å²	65.8	30%	0.301	33%	0.328	S	S	.	.			trans	-142.2	126.4	-177.8	-58.8	0	0	0	0	109.7	K250 Y254 P255 S273	K250-T252 PolarHBondContact O-N 3.27Å; T252-Y254 WeakPolarHBondContact CG2-O 3.46Å; T252-P255 WeakPolarHBondContact CG2-O 3.49Å; T252-S273 PolarHBondContact N-OG 3.39Å; T252-S273 VanDerWaalsContact N-OG 3.13Å; T252-S273 WeakPolarHBondContact O-CB 3.33Å; T252-S273 PolarHBondContact O-OG 2.84Å
253	F	97.3	Very high	95	Very high	1 Å²	1	68.6 Å²	68.6	0%	0.004	35%	0.346	C	S	.	.	S	Bend	trans	-86.8	-34	168	-68.5	-88.6	0	0	0	111.5	R148 Q149 L152 F165 F239 F270	R148-F253 HydrophobicContact CB-CB 4.19Å; R148-F253 HydrophobicContact CB-CD1 3.77Å; R148-F253 HydrophobicContact CB-CD2 3.98Å; R148-F253 HydrophobicContact CB-CE1 4.07Å; R148-F253 HydrophobicContact CB-CE2 4.26Å; R148-F253 HydrophobicContact CB-CG 3.72Å; R148-F253 HydrophobicContact CB-CZ 4.3Å; Q149-F253 HydrophobicContact CB-CB 4.16Å; L152-F253 HydrophobicContact CB-CD2 4.49Å; L152-F253 HydrophobicContact CB-CE2 4.48Å; L152-F253 HydrophobicContact CD2-CD2 4.04Å; L152-F253 HydrophobicContact CD2-CE2 4.1Å; F165-F253 HydrophobicContact CD2-CE2 4.4Å; F165-F253 HydrophobicContact CD2-CZ 4.02Å; F165-F253 HydrophobicContact CE1-CE2 4.24Å; F165-F253 HydrophobicContact CE1-CZ 4.27Å; F165-F253 AromaticContact CE2-CE2 3.56Å; F165-F253 HydrophobicContact CE2-CE2 3.56Å; F165-F253 AromaticContact CE2-CZ 3.62Å; F165-F253 HydrophobicContact CE2-CZ 3.62Å; F165-F253 HydrophobicContact CG-CZ 4.48Å; F165-F253 HydrophobicContact CZ-CD2 4.35Å; F165-F253 AromaticContact CZ-CE2 3.45Å; F165-F253 HydrophobicContact CZ-CE2 3.45Å; F165-F253 VanDerWaalsContact CZ-CE2 3.45Å; F165-F253 AromaticContact CZ-CZ 3.76Å; F165-F253 HydrophobicContact CZ-CZ 3.76Å; F239-F253 HydrophobicContact CE2-CZ 4.13Å; F239-F253 HydrophobicContact CZ-CE1 4.11Å; F239-F253 AromaticContact CZ-CZ 3.9Å; F239-F253 HydrophobicContact CZ-CZ 3.9Å; F253-F270 HydrophobicContact CD1-CB 3.91Å; F253-F270 AromaticContact CD1-CD2 3.5Å; F253-F270 HydrophobicContact CD1-CD2 3.5Å; F253-F270 HydrophobicContact CD1-CE2 4.19Å; F253-F270 AromaticContact CD1-CG 3.75Å; F253-F270 HydrophobicContact CD1-CG 3.75Å; F253-F270 HydrophobicContact CD2-CD2 4.21Å; F253-F270 HydrophobicContact CD2-CE2 4.23Å; F253-F270 HydrophobicContact CE1-CB 3.93Å; F253-F270 AromaticContact CE1-CD1 3.82Å; F253-F270 HydrophobicContact CE1-CD1 3.82Å; F253-F270 AromaticContact CE1-CD2 3.31Å; F253-F270 HydrophobicContact CE1-CD2 3.31Å; F253-F270 HydrophobicContact CE1-CE1 4.16Å; F253-F270 AromaticContact CE1-CE2 3.7Å; F253-F270 HydrophobicContact CE1-CE2 3.7Å; F253-F270 AromaticContact CE1-CG 3.39Å; F253-F270 HydrophobicContact CE1-CG 3.39Å; F253-F270 HydrophobicContact CE1-CZ 4.11Å; F253-F270 HydrophobicContact CE2-CD2 4.05Å; F253-F270 AromaticContact CE2-CE2 3.74Å; F253-F270 HydrophobicContact CE2-CE2 3.74Å; F253-F270 HydrophobicContact CE2-CZ 4.3Å; F253-F270 AromaticContact CG-CD2 3.96Å; F253-F270 HydrophobicContact CG-CD2 3.96Å; F253-F270 HydrophobicContact CG-CE2 4.44Å; F253-F270 HydrophobicContact CZ-CD1 4.24Å; F253-F270 AromaticContact CZ-CD2 3.61Å; F253-F270 HydrophobicContact CZ-CD2 3.61Å; F253-F270 HydrophobicContact CZ-CE1 4.1Å; F253-F270 AromaticContact CZ-CE2 3.45Å; F253-F270 HydrophobicContact CZ-CE2 3.45Å; F253-F270 VanDerWaalsContact CZ-CE2 3.45Å; F253-F270 HydrophobicContact CZ-CG 4.02Å; F253-F270 AromaticContact CZ-CZ 3.71Å; F253-F270 HydrophobicContact CZ-CZ 3.71Å
254	Y	97.3	Very high	94.7	Very high	74 Å²	74	71 Å²	71	29%	0.29	36%	0.355	S	S	.	.	S	Bend	trans	-152.8	139.7	-179.2	-164.8	-91.9	0	0	0	112.6	M145 K146 Q149 T252	M145-Y254 HydrophobicContact CB-CD2 4.07Å; K146-Y254 HydrophobicContact CD-CD1 4.44Å; K146-Y254 HydrophobicContact CD-CE1 4.21Å; K146-Y254 WeakPolarHBondContact CE-OH 3.45Å; K146-Y254 HydrophobicContact CG-CD1 3.54Å; K146-Y254 HydrophobicContact CG-CD2 4.14Å; K146-Y254 HydrophobicContact CG-CE1 3.8Å; K146-Y254 HydrophobicContact CG-CE2 4.37Å; K146-Y254 HydrophobicContact CG-CG 3.72Å; Q149-Y254 WeakPolarHBondContact CG-O 3.32Å; Q149-Y254 VanDerWaalsContact OE1-N 3.11Å; Q149-Y254 PolarHBondContact OE1-O 3.4Å; T252-Y254 WeakPolarHBondContact CG2-O 3.46Å
255	P	96.6	Very high	94.4	Very high	84 Å²	84	65.8 Å²	65.8	55%	0.545	34%	0.337	S	S	.	.	S	Bend	cis	-66.6	162.4	-6.3	30.7	-36.3	0	0	0	112	T252	T252-P255 WeakPolarHBondContact CG2-O 3.49Å
256	P	95.3	Very high	94.2	Very high	36 Å²	36	63.3 Å²	63.3	23%	0.234	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-55.4	155	169	-21.3	31.7	0	0	0	111.6	Y260 F264 V269	P256-Y260 HydrophobicContact CB-CD1 4.33Å; P256-Y260 HydrophobicContact CB-CG 4.21Å; P256-F264 HydrophobicContact CG-CE2 3.84Å; P256-V269 HydrophobicContact CB-CG1 4.04Å; P256-V269 HydrophobicContact CG-CG1 4.23Å
257	H	94.1	Very high	94.1	Very high	70 Å²	70	56.5 Å²	56.5	32%	0.324	30%	0.295	S	S	.	.	P	Polyproline II helix	trans	-57.8	146.1	175.2	-163.1	-99.8	0	0	0	111.1	D259 Y260 F272	H257-D259 IonicContact CE1-OD2 2.72Å; H257-D259 PolarHBondContact CE1-OD2 3.47Å; H257-D259 PolarHBondContact ND1-N 3.42Å; H257-D259 IonicContact ND1-OD2 3.96Å; H257-D259 PolarHBondContact ND1-OD2 3.46Å; H257-D259 PolarHBondContact O-N 2.84Å; H257-D259 VanDerWaalsContact O-N 3.13Å; H257-Y260 WeakPolarHBondContact O-CB 3.19Å; H257-Y260 PolarHBondContact O-N 2.96Å; H257-F272 HydrophobicContact CB-CD1 4.04Å; H257-F272 HydrophobicContact CB-CE1 3.84Å
258	Q	93.4	Very high	94.1	Very high	174 Å²	174	55 Å²	55	81%	0.813	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-32.6	-178	67.3	-171.8	6.7	0	0	113.6	Y260	Q258-Y260 VanDerWaalsContact C-N 3.31Å; Q258-Y260 PolarHBondContact O-N 2.03Å
259	D	92.9	Very high	94.1	Very high	87 Å²	87	55 Å²	55	47%	0.465	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	9.7	178.6	-50.5	-60.2	0	0	0	113.6	H257 T261 F272	H257-D259 IonicContact CE1-OD2 2.72Å; H257-D259 PolarHBondContact CE1-OD2 3.47Å; H257-D259 PolarHBondContact ND1-N 3.42Å; H257-D259 IonicContact ND1-OD2 3.96Å; H257-D259 PolarHBondContact ND1-OD2 3.46Å; H257-D259 PolarHBondContact O-N 2.84Å; H257-D259 VanDerWaalsContact O-N 3.13Å; D259-T261 PolarHBondContact O-N 2.83Å; D259-F272 HydrophobicContact CB-CZ 4.44Å; D259-F272 WeakPolarHBondContact O-CZ 3.33Å
260	Y	92.8	Very high	94.1	Very high	31 Å²	31	50.9 Å²	50.9	12%	0.122	26%	0.259	C	S	.	.			trans	-72.6	118.3	-178.4	-168.7	-96.5	0	0	0	111.5	P256 H257 Q258 W262 T263 I268 V269 F272	P256-Y260 HydrophobicContact CB-CD1 4.33Å; P256-Y260 HydrophobicContact CB-CG 4.21Å; H257-Y260 WeakPolarHBondContact O-CB 3.19Å; H257-Y260 PolarHBondContact O-N 2.96Å; Q258-Y260 VanDerWaalsContact C-N 3.31Å; Q258-Y260 PolarHBondContact O-N 2.03Å; Y260-W262 HydrophobicContact CE1-CB 4.16Å; Y260-W262 WeakPolarHBondContact CE1-O 3.34Å; Y260-W262 HydrophobicContact CE2-CB 4Å; Y260-W262 HydrophobicContact CE2-CE3 4.31Å; Y260-T263 PolarHBondContact OH-O 3.15Å; Y260-I268 VanDerWaalsContact OH-CG2 3.26Å; Y260-I268 WeakPolarHBondContact OH-CG2 3.46Å; Y260-V269 HydrophobicContact CD1-CG2 4.3Å; Y260-V269 HydrophobicContact CE1-CG2 3.62Å; Y260-V269 HydrophobicContact CE2-CB 4.32Å; Y260-V269 HydrophobicContact CE2-CG2 3.94Å; Y260-V269 WeakPolarHBondContact OH-CG2 3.37Å; Y260-V269 PolarHBondContact OH-N 2.78Å; Y260-F272 HydrophobicContact CD2-CB 3.75Å; Y260-F272 AromaticContact CD2-CD1 3.66Å; Y260-F272 HydrophobicContact CD2-CD1 3.66Å; Y260-F272 HydrophobicContact CD2-CD2 4.02Å; Y260-F272 HydrophobicContact CD2-CE1 4.16Å; Y260-F272 HydrophobicContact CD2-CE2 4.49Å; Y260-F272 AromaticContact CD2-CG 3.56Å; Y260-F272 HydrophobicContact CD2-CG 3.56Å; Y260-F272 HydrophobicContact CE2-CB 3.62Å; Y260-F272 HydrophobicContact CE2-CD1 4.41Å; Y260-F272 HydrophobicContact CE2-CD2 4.26Å; Y260-F272 AromaticContact CE2-CG 3.89Å; Y260-F272 HydrophobicContact CE2-CG 3.89Å
261	T	89.6	Confident	94	Very high	120 Å²	120	45.1 Å²	45.1	74%	0.736	24%	0.235	S	C	*	.			trans	-130.8	11.1	-174.9	48.4	0	0	0	0	113	D259	D259-T261 PolarHBondContact O-N 2.83Å
262	W	89.3	Confident	93.9	Very high	44 Å²	44	45.7 Å²	45.7	17%	0.167	24%	0.238	C	C	.	.	S	Bend	trans	-94.6	179.2	-179.7	-60.6	-10.7	0	0	0	111.4	I206 P208 Y260 F264 I268 F272	I206-W262 HydrophobicContact CD1-CH2 4.12Å; P208-W262 PolarHBondContact O-NE1 3.33Å; Y260-W262 HydrophobicContact CE1-CB 4.16Å; Y260-W262 WeakPolarHBondContact CE1-O 3.34Å; Y260-W262 HydrophobicContact CE2-CB 4Å; Y260-W262 HydrophobicContact CE2-CE3 4.31Å; W262-F264 PolarHBondContact O-N 3.43Å; W262-I268 HydrophobicContact CB-CG2 4.29Å; W262-I268 HydrophobicContact CE3-CG2 3.7Å; W262-I268 HydrophobicContact CZ3-CG2 4.42Å; W262-F272 AromaticContact CD2-CD2 3.86Å; W262-F272 HydrophobicContact CD2-CD2 3.86Å; W262-F272 HydrophobicContact CD2-CE2 4.37Å; W262-F272 AromaticContact CE2-CD2 3.94Å; W262-F272 HydrophobicContact CE3-CB 4.14Å; W262-F272 AromaticContact CE3-CD2 3.7Å; W262-F272 HydrophobicContact CE3-CD2 3.7Å; W262-F272 HydrophobicContact CE3-CG 4.4Å; W262-F272 AromaticContact CH2-CD2 3.85Å; W262-F272 HydrophobicContact CH2-CD2 3.85Å; W262-F272 AromaticContact CZ2-CD2 3.95Å; W262-F272 HydrophobicContact CZ2-CD2 3.95Å; W262-F272 HydrophobicContact CZ2-CE2 4.26Å; W262-F272 HydrophobicContact CZ3-CB 4.07Å; W262-F272 AromaticContact CZ3-CD2 3.72Å; W262-F272 HydrophobicContact CZ3-CD2 3.72Å; W262-F272 HydrophobicContact CZ3-CG 4.4Å
263	T	88.2	Confident	93.9	Very high	61 Å²	61	43.8 Å²	43.8	37%	0.374	23%	0.227	S	C	.	.			trans	-53	135.4	176	-48.5	0	0	0	0	111.5	F211 Y260 D265	F211-T263 WeakPolarHBondContact CE1-OG1 3.28Å; F211-T263 WeakPolarHBondContact CZ-OG1 3.34Å; Y260-T263 PolarHBondContact OH-O 3.15Å; T263-D265 PolarHBondContact O-N 2.91Å
264	F	91.2	Very high	93.9	Very high	70 Å²	70	43.8 Å²	43.8	31%	0.307	23%	0.227	S	C	.	.			trans	-79.1	84.7	179.4	-167.5	-94.5	0	0	0	110.9	S138 F141 A142 M145 P256 W262	S138-F264 WeakPolarHBondContact O-CE1 3.05Å; F141-F264 HydrophobicContact CB-CD1 4Å; F141-F264 HydrophobicContact CB-CE1 3.91Å; F141-F264 WeakPolarHBondContact CD2-O 3.37Å; A142-F264 HydrophobicContact CB-CE1 3.91Å; A142-F264 HydrophobicContact CB-CZ 3.94Å; M145-F264 HydrophobicContact CE-CD1 4.17Å; M145-F264 HydrophobicContact CE-CD2 4.45Å; M145-F264 HydrophobicContact CE-CE1 3.5Å; M145-F264 HydrophobicContact CE-CE2 3.84Å; M145-F264 HydrophobicContact CE-CZ 3.32Å; P256-F264 HydrophobicContact CG-CE2 3.84Å; W262-F264 PolarHBondContact O-N 3.43Å
265	D	92.8	Very high	93.7	Very high	15 Å²	15	47.8 Å²	47.8	8%	0.08	24%	0.241	C	C	.	.			trans	-134.7	140.1	179.8	175.1	-58.5	0	0	0	108.4	F141 T263 I267 I268 V269 R623	F141-D265 HydrophobicContact CE1-CB 4.3Å; F141-D265 HydrophobicContact CE2-CB 4.48Å; F141-D265 HydrophobicContact CZ-CB 4.14Å; F141-D265 WeakPolarHBondContact CZ-OD2 3Å; T263-D265 PolarHBondContact O-N 2.91Å; D265-I267 PolarHBondContact O-N 3.13Å; D265-I267 VanDerWaalsContact OD1-CG1 3.31Å; D265-I267 WeakPolarHBondContact OD1-CG1 3.33Å; D265-I267 PolarHBondContact OD1-N 3.14Å; D265-I268 HydrophobicContact CB-CB 4.26Å; D265-I268 HydrophobicContact CB-CD1 4Å; D265-I268 HydrophobicContact CB-CG1 4.01Å; D265-I268 PolarHBondContact O-N 2.74Å; D265-V269 WeakPolarHBondContact O-CB 3.5Å; D265-V269 VanDerWaalsContact O-CG2 3.24Å; D265-V269 WeakPolarHBondContact O-CG2 3.19Å; D265-V269 PolarHBondContact O-N 2.87Å; D265-R623 IonicContact OD1-CZ 2.69Å; D265-R623 IonicContact OD1-NH2 3.33Å; D265-R623 PolarHBondContact OD1-NH2 2.79Å; D265-R623 IonicContact OD2-CZ 3.96Å; D265-R623 IonicContact OD2-NE 3.84Å; D265-R623 PolarHBondContact OD2-NE 3.19Å; D265-R623 IonicContact OD2-NH2 3.44Å; D265-R623 PolarHBondContact OD2-NH2 2.7Å
266	D	93.4	Very high	93.6	Very high	2 Å²	2	48.3 Å²	48.3	1%	0.011	24%	0.236	C	C	.	.	H	α-helix	trans	-62.4	-34.5	-172	69.7	-73.3	0	0	0	114.5	F141 M145 R148 F270 R623	F141-D266 HydrophobicContact CD1-CB 4.15Å; F141-D266 WeakPolarHBondContact CD1-OD1 3.22Å; F141-D266 WeakPolarHBondContact CE1-OD1 3.38Å; M145-D266 HydrophobicContact CG-CB 3.67Å; M145-D266 HydrophobicContact SD-CB 4.38Å; R148-D266 IonicContact CZ-OD2 3.81Å; R148-D266 IonicContact NH1-OD2 3.72Å; R148-D266 PolarHBondContact NH1-OD2 3.32Å; R148-D266 IonicContact NH2-OD2 3.69Å; D266-F270 WeakPolarHBondContact O-CB 2.95Å; D266-F270 PolarHBondContact O-N 3.28Å; D266-R623 IonicContact OD1-CZ 3.84Å; D266-R623 IonicContact OD1-NH1 3.06Å; D266-R623 IonicContact OD1-NH2 2.93Å; D266-R623 PolarHBondContact OD1-NH2 3.07Å
267	I	94.3	Very high	93.6	Very high	11 Å²	11	47.3 Å²	47.3	6%	0.056	23%	0.232	C	C	.	.	H	α-helix	trans	-79.4	-36.1	-179.1	77.3	170.7	0	0	0	110.6	W203 M234 H236 D265 A271	W203-I267 HydrophobicContact CH2-CD1 4.43Å; W203-I267 HydrophobicContact CZ2-CD1 4.04Å; M234-I267 HydrophobicContact SD-CB 4.17Å; M234-I267 HydrophobicContact SD-CD1 3.58Å; M234-I267 VanDerWaalsContact SD-CD1 3.58Å; M234-I267 HydrophobicContact SD-CG1 3.65Å; H236-I267 HydrophobicContact CB-CB 3.9Å; H236-I267 HydrophobicContact CB-CD1 4.11Å; H236-I267 HydrophobicContact CB-CG2 3.57Å; D265-I267 PolarHBondContact O-N 3.13Å; D265-I267 VanDerWaalsContact OD1-CG1 3.31Å; D265-I267 WeakPolarHBondContact OD1-CG1 3.33Å; D265-I267 PolarHBondContact OD1-N 3.14Å; I267-A271 WeakPolarHBondContact O-CB 3.36Å; I267-A271 PolarHBondContact O-N 2.81Å
268	I	94.7	Very high	93.7	Very high	5 Å²	5	47.3 Å²	47.3	3%	0.026	25%	0.25	C	S	.	.	H	α-helix	trans	-71.5	-41.9	179.3	-53.3	-175	0	0	0	110.6	W203 M234 Y260 W262 D265 A271 F272	W203-I268 HydrophobicContact CH2-CD1 4.31Å; W203-I268 HydrophobicContact CH2-CG1 4.31Å; M234-I268 HydrophobicContact CE-CG1 4.21Å; Y260-I268 VanDerWaalsContact OH-CG2 3.26Å; Y260-I268 WeakPolarHBondContact OH-CG2 3.46Å; W262-I268 HydrophobicContact CB-CG2 4.29Å; W262-I268 HydrophobicContact CE3-CG2 3.7Å; W262-I268 HydrophobicContact CZ3-CG2 4.42Å; D265-I268 HydrophobicContact CB-CB 4.26Å; D265-I268 HydrophobicContact CB-CD1 4Å; D265-I268 HydrophobicContact CB-CG1 4.01Å; D265-I268 PolarHBondContact O-N 2.74Å; I268-A271 PolarHBondContact O-N 3.23Å; I268-F272 PolarHBondContact O-N 3.37Å
269	V	95.9	Very high	93.9	Very high	2 Å²	2	39.7 Å²	39.7	1%	0.012	22%	0.215	C	C	.	.	H	α-helix	trans	-60.7	-46.5	174.6	171.2	0	0	0	0	111.1	M145 P256 Y260 D265 F272 S273	M145-V269 HydrophobicContact CE-CG2 4.34Å; M145-V269 HydrophobicContact SD-CB 3.7Å; M145-V269 HydrophobicContact SD-CG1 3.67Å; M145-V269 HydrophobicContact SD-CG2 3.88Å; P256-V269 HydrophobicContact CB-CG1 4.04Å; P256-V269 HydrophobicContact CG-CG1 4.23Å; Y260-V269 HydrophobicContact CD1-CG2 4.3Å; Y260-V269 HydrophobicContact CE1-CG2 3.62Å; Y260-V269 HydrophobicContact CE2-CB 4.32Å; Y260-V269 HydrophobicContact CE2-CG2 3.94Å; Y260-V269 WeakPolarHBondContact OH-CG2 3.37Å; Y260-V269 PolarHBondContact OH-N 2.78Å; D265-V269 WeakPolarHBondContact O-CB 3.5Å; D265-V269 VanDerWaalsContact O-CG2 3.24Å; D265-V269 WeakPolarHBondContact O-CG2 3.19Å; D265-V269 PolarHBondContact O-N 2.87Å; V269-F272 PolarHBondContact O-N 2.96Å; V269-S273 PolarHBondContact O-N 3.03Å
270	F	96.7	Very high	94.1	Very high	4 Å²	4	39.5 Å²	39.5	2%	0.018	21%	0.211	C	C	.	.	H	α-helix	trans	-68.9	-37.4	-179.5	-178	-115.3	0	0	0	113.2	I188 F239 I241 L251 F253 D266 S273 S274 M281	I188-F270 HydrophobicContact CD1-CE1 4.24Å; I188-F270 HydrophobicContact CD1-CZ 3.97Å; F239-F270 HydrophobicContact CD2-CE1 4.33Å; F239-F270 HydrophobicContact CE2-CD1 4.35Å; F239-F270 AromaticContact CE2-CE1 3.5Å; F239-F270 HydrophobicContact CE2-CE1 3.5Å; F239-F270 AromaticContact CE2-CZ 3.91Å; F239-F270 HydrophobicContact CE2-CZ 3.91Å; F239-F270 HydrophobicContact CZ-CD1 4.03Å; F239-F270 AromaticContact CZ-CE1 3.65Å; F239-F270 HydrophobicContact CZ-CE1 3.65Å; F239-F270 HydrophobicContact CZ-CZ 4.33Å; I241-F270 HydrophobicContact CD1-CZ 4.06Å; L251-F270 HydrophobicContact CB-CE2 4.46Å; L251-F270 HydrophobicContact CD2-CE2 4.29Å; L251-F270 HydrophobicContact CD2-CZ 4.49Å; F253-F270 HydrophobicContact CD1-CB 3.91Å; F253-F270 AromaticContact CD1-CD2 3.5Å; F253-F270 HydrophobicContact CD1-CD2 3.5Å; F253-F270 HydrophobicContact CD1-CE2 4.19Å; F253-F270 AromaticContact CD1-CG 3.75Å; F253-F270 HydrophobicContact CD1-CG 3.75Å; F253-F270 HydrophobicContact CD2-CD2 4.21Å; F253-F270 HydrophobicContact CD2-CE2 4.23Å; F253-F270 HydrophobicContact CE1-CB 3.93Å; F253-F270 AromaticContact CE1-CD1 3.82Å; F253-F270 HydrophobicContact CE1-CD1 3.82Å; F253-F270 AromaticContact CE1-CD2 3.31Å; F253-F270 HydrophobicContact CE1-CD2 3.31Å; F253-F270 HydrophobicContact CE1-CE1 4.16Å; F253-F270 AromaticContact CE1-CE2 3.7Å; F253-F270 HydrophobicContact CE1-CE2 3.7Å; F253-F270 AromaticContact CE1-CG 3.39Å; F253-F270 HydrophobicContact CE1-CG 3.39Å; F253-F270 HydrophobicContact CE1-CZ 4.11Å; F253-F270 HydrophobicContact CE2-CD2 4.05Å; F253-F270 AromaticContact CE2-CE2 3.74Å; F253-F270 HydrophobicContact CE2-CE2 3.74Å; F253-F270 HydrophobicContact CE2-CZ 4.3Å; F253-F270 AromaticContact CG-CD2 3.96Å; F253-F270 HydrophobicContact CG-CD2 3.96Å; F253-F270 HydrophobicContact CG-CE2 4.44Å; F253-F270 HydrophobicContact CZ-CD1 4.24Å; F253-F270 AromaticContact CZ-CD2 3.61Å; F253-F270 HydrophobicContact CZ-CD2 3.61Å; F253-F270 HydrophobicContact CZ-CE1 4.1Å; F253-F270 AromaticContact CZ-CE2 3.45Å; F253-F270 HydrophobicContact CZ-CE2 3.45Å; F253-F270 VanDerWaalsContact CZ-CE2 3.45Å; F253-F270 HydrophobicContact CZ-CG 4.02Å; F253-F270 AromaticContact CZ-CZ 3.71Å; F253-F270 HydrophobicContact CZ-CZ 3.71Å; D266-F270 WeakPolarHBondContact O-CB 2.95Å; D266-F270 PolarHBondContact O-N 3.28Å; F270-S273 PolarHBondContact O-N 3.2Å; F270-S274 WeakPolarHBondContact O-CB 3.26Å; F270-S274 PolarHBondContact O-N 2.89Å; F270-S274 PolarHBondContact O-OG 2.98Å; F270-M281 HydrophobicContact CD1-CE 3.69Å; F270-M281 HydrophobicContact CE1-CE 3.66Å
271	A	95.4	Very high	94.4	Very high	7 Å²	7	38.2 Å²	38.2	6%	0.058	21%	0.206	C	C	.	.	H	α-helix	trans	-63	-40.9	173.1	0	0	0	0	0	112.1	M234 I267 I268 S274 R275 M281	M234-A271 HydrophobicContact CB-CB 4.47Å; M234-A271 HydrophobicContact CE-CB 3.65Å; M234-A271 HydrophobicContact CG-CB 4.05Å; M234-A271 HydrophobicContact SD-CB 4.48Å; I267-A271 WeakPolarHBondContact O-CB 3.36Å; I267-A271 PolarHBondContact O-N 2.81Å; I268-A271 PolarHBondContact O-N 3.23Å; A271-S274 PolarHBondContact O-N 3.21Å; A271-R275 WeakPolarHBondContact O-CB 3.27Å; A271-R275 PolarHBondContact O-N 3.28Å; A271-M281 HydrophobicContact CB-CE 4.29Å
272	F	95.2	Very high	94.8	Very high	12 Å²	12	35.6 Å²	35.6	5%	0.053	18%	0.183	C	C	.	.	H	α-helix	trans	-63.8	-45.8	173	-172.4	-83	0	0	0	111.8	H257 D259 Y260 W262 I268 V269 S274 R275 Q276	H257-F272 HydrophobicContact CB-CD1 4.04Å; H257-F272 HydrophobicContact CB-CE1 3.84Å; D259-F272 HydrophobicContact CB-CZ 4.44Å; D259-F272 WeakPolarHBondContact O-CZ 3.33Å; Y260-F272 HydrophobicContact CD2-CB 3.75Å; Y260-F272 AromaticContact CD2-CD1 3.66Å; Y260-F272 HydrophobicContact CD2-CD1 3.66Å; Y260-F272 HydrophobicContact CD2-CD2 4.02Å; Y260-F272 HydrophobicContact CD2-CE1 4.16Å; Y260-F272 HydrophobicContact CD2-CE2 4.49Å; Y260-F272 AromaticContact CD2-CG 3.56Å; Y260-F272 HydrophobicContact CD2-CG 3.56Å; Y260-F272 HydrophobicContact CE2-CB 3.62Å; Y260-F272 HydrophobicContact CE2-CD1 4.41Å; Y260-F272 HydrophobicContact CE2-CD2 4.26Å; Y260-F272 AromaticContact CE2-CG 3.89Å; Y260-F272 HydrophobicContact CE2-CG 3.89Å; W262-F272 AromaticContact CD2-CD2 3.86Å; W262-F272 HydrophobicContact CD2-CD2 3.86Å; W262-F272 HydrophobicContact CD2-CE2 4.37Å; W262-F272 AromaticContact CE2-CD2 3.94Å; W262-F272 HydrophobicContact CE3-CB 4.14Å; W262-F272 AromaticContact CE3-CD2 3.7Å; W262-F272 HydrophobicContact CE3-CD2 3.7Å; W262-F272 HydrophobicContact CE3-CG 4.4Å; W262-F272 AromaticContact CH2-CD2 3.85Å; W262-F272 HydrophobicContact CH2-CD2 3.85Å; W262-F272 AromaticContact CZ2-CD2 3.95Å; W262-F272 HydrophobicContact CZ2-CD2 3.95Å; W262-F272 HydrophobicContact CZ2-CE2 4.26Å; W262-F272 HydrophobicContact CZ3-CB 4.07Å; W262-F272 AromaticContact CZ3-CD2 3.72Å; W262-F272 HydrophobicContact CZ3-CD2 3.72Å; W262-F272 HydrophobicContact CZ3-CG 4.4Å; I268-F272 PolarHBondContact O-N 3.37Å; V269-F272 PolarHBondContact O-N 2.96Å; F272-S274 VanDerWaalsContact C-N 3.33Å; F272-S274 PolarHBondContact O-N 3.48Å; F272-R275 PolarHBondContact O-N 3.28Å; F272-Q276 HydrophobicContact CD1-CG 3.68Å; F272-Q276 HydrophobicContact CE1-CG 3.44Å; F272-Q276 VanDerWaalsContact CE1-CG 3.44Å; F272-Q276 VanDerWaalsContact CE1-NE2 3.35Å; F272-Q276 HydrophobicContact CZ-CG 4.13Å; F272-Q276 WeakPolarHBondContact O-CG 3.49Å; F272-Q276 PolarHBondContact O-N 3.44Å
273	S	95.8	Very high	95.3	Very high	9 Å²	9	33.5 Å²	33.5	6%	0.063	18%	0.175	C	C	.	.	H	α-helix	trans	-55.9	-48	175.6	176.6	0	0	0	0	111.5	T252 V269 F270 R275 Q276 A277	T252-S273 PolarHBondContact N-OG 3.39Å; T252-S273 VanDerWaalsContact N-OG 3.13Å; T252-S273 WeakPolarHBondContact O-CB 3.33Å; T252-S273 PolarHBondContact O-OG 2.84Å; V269-S273 PolarHBondContact O-N 3.03Å; F270-S273 PolarHBondContact O-N 3.2Å; S273-R275 VanDerWaalsContact C-N 3.33Å; S273-R275 PolarHBondContact O-N 2.95Å; S273-Q276 PolarHBondContact O-N 3.03Å; S273-A277 WeakPolarHBondContact O-CB 3.29Å; S273-A277 PolarHBondContact O-N 2.9Å
274	S	96.2	Very high	95.8	Very high	1 Å²	1	30.6 Å²	30.6	1%	0.007	16%	0.158	C	C	.	.	H	α-helix	trans	-60.2	-41.9	177.9	-58	0	0	0	0	112	I188 L251 F270 A271 F272 A277 G278 I279 M281	I188-S274 WeakPolarHBondContact CD1-OG 3.31Å; L251-S274 WeakPolarHBondContact CD2-OG 3.28Å; F270-S274 WeakPolarHBondContact O-CB 3.26Å; F270-S274 PolarHBondContact O-N 2.89Å; F270-S274 PolarHBondContact O-OG 2.98Å; A271-S274 PolarHBondContact O-N 3.21Å; F272-S274 VanDerWaalsContact C-N 3.33Å; F272-S274 PolarHBondContact O-N 3.48Å; S274-A277 PolarHBondContact O-N 2.9Å; S274-G278 PolarHBondContact O-N 3.03Å; S274-I279 PolarHBondContact O-N 3.36Å; S274-M281 VanDerWaalsContact OG-CE 3.22Å; S274-M281 WeakPolarHBondContact OG-CE 3.16Å
275	R	94.3	Very high	96.1	Very high	158 Å²	158	27.2 Å²	27.2	60%	0.596	14%	0.143	S	C	*	.	H	α-helix	trans	-63.5	-43.2	175.4	-177.2	178.8	174.9	-173.8	-2.5	112.5	A271 F272 S273 A277 G278	A271-R275 WeakPolarHBondContact O-CB 3.27Å; A271-R275 PolarHBondContact O-N 3.28Å; F272-R275 PolarHBondContact O-N 3.28Å; S273-R275 VanDerWaalsContact C-N 3.33Å; S273-R275 PolarHBondContact O-N 2.95Å; R275-A277 VanDerWaalsContact C-N 3.32Å; R275-G278 PolarHBondContact O-N 3.44Å; R275-G278 VanDerWaalsContact O-N 3.08Å
276	Q	94.7	Very high	96.3	Very high	95 Å²	95	32.8 Å²	32.8	44%	0.444	16%	0.163	S	C	.	.	H	α-helix	trans	-68.3	-31.9	176.7	-63	-59.5	-6.7	0	0	112.3	F272 S273 G278	F272-Q276 HydrophobicContact CD1-CG 3.68Å; F272-Q276 HydrophobicContact CE1-CG 3.44Å; F272-Q276 VanDerWaalsContact CE1-CG 3.44Å; F272-Q276 VanDerWaalsContact CE1-NE2 3.35Å; F272-Q276 HydrophobicContact CZ-CG 4.13Å; F272-Q276 WeakPolarHBondContact O-CG 3.49Å; F272-Q276 PolarHBondContact O-N 3.44Å; S273-Q276 PolarHBondContact O-N 3.03Å; Q276-G278 PolarHBondContact O-N 2.78Å
277	A	95.4	Very high	96.5	Very high	16 Å²	16	37.1 Å²	37.1	13%	0.132	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-8	170.7	0	0	0	0	0	113.8	K250 L251 S273 S274 R275 I279	K250-A277 HydrophobicContact CB-CB 3.68Å; L251-A277 HydrophobicContact CD2-CB 4.4Å; S273-A277 WeakPolarHBondContact O-CB 3.29Å; S273-A277 PolarHBondContact O-N 2.9Å; S274-A277 PolarHBondContact O-N 2.9Å; R275-A277 VanDerWaalsContact C-N 3.32Å; A277-I279 VanDerWaalsContact C-N 3.33Å; A277-I279 HydrophobicContact CB-CD1 3.92Å; A277-I279 HydrophobicContact CB-CG1 4.17Å
278	G	96	Very high	96.6	Very high	69 Å²	69	37.8 Å²	37.8	71%	0.711	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	75.1	19.2	-175.4	0	0	0	0	0	113.9	S274 R275 Q276	S274-G278 PolarHBondContact O-N 3.03Å; R275-G278 PolarHBondContact O-N 3.44Å; R275-G278 VanDerWaalsContact O-N 3.08Å; Q276-G278 PolarHBondContact O-N 2.78Å
279	I	97.7	Very high	96.7	Very high	15 Å²	15	37.7 Å²	37.7	8%	0.077	19%	0.185	C	C	.	.	P	Polyproline II helix	trans	-96.3	123.8	-175.7	-66.5	167.4	0	0	0	110.9	T187 I188 A247 L251 S274 A277	T187-I279 HydrophobicContact CG2-CD1 3.93Å; T187-I279 HydrophobicContact CG2-CG1 4.31Å; T187-I279 HydrophobicContact CG2-CG2 4.12Å; I188-I279 HydrophobicContact CD1-CG2 3.74Å; I188-I279 HydrophobicContact CG1-CG2 3.94Å; A247-I279 HydrophobicContact CB-CD1 4.08Å; A247-I279 HydrophobicContact CB-CG1 4.04Å; A247-I279 WeakPolarHBondContact O-CD1 3.41Å; L251-I279 HydrophobicContact CD1-CD1 3.93Å; L251-I279 HydrophobicContact CD2-CD1 3.58Å; L251-I279 HydrophobicContact CG-CD1 3.63Å; S274-I279 PolarHBondContact O-N 3.36Å; A277-I279 VanDerWaalsContact C-N 3.33Å; A277-I279 HydrophobicContact CB-CD1 3.92Å; A277-I279 HydrophobicContact CB-CG1 4.17Å
280	Q	97.6	Very high	96.8	Very high	82 Å²	82	37.6 Å²	37.6	38%	0.383	19%	0.185	S	C	.	.	P	Polyproline II helix	trans	-80.7	126.8	168.9	-177.7	58.3	69.9	0	0	110.5	P231 V232 Y282	P231-Q280 HydrophobicContact CB-CG 3.73Å; V232-Q280 PolarHBondContact O-NE2 2.98Å; Q280-Y282 HydrophobicContact CB-CE2 3.82Å; Q280-Y282 HydrophobicContact CG-CD2 4.25Å; Q280-Y282 HydrophobicContact CG-CE1 4.29Å; Q280-Y282 HydrophobicContact CG-CE2 3.59Å; Q280-Y282 WeakPolarHBondContact O-CD2 3.35Å; Q280-Y282 WeakPolarHBondContact O-CE2 3.26Å
281	M	98.5	Very high	96.8	Very high	5 Å²	5	38.2 Å²	38.2	3%	0.025	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	146.9	167.9	-62.9	-179.1	172.2	0	0	110.8	I188 V232 V235 F270 A271 S274	I188-M281 HydrophobicContact CB-CG 4.29Å; I188-M281 HydrophobicContact CD1-CE 4.25Å; I188-M281 HydrophobicContact CD1-CG 4.15Å; I188-M281 HydrophobicContact CG2-CB 4.43Å; I188-M281 HydrophobicContact CG2-CG 4.03Å; V232-M281 HydrophobicContact CG2-CB 4.49Å; V232-M281 PolarHBondContact N-O 3.38Å; V235-M281 HydrophobicContact CG1-CB 4.42Å; V235-M281 HydrophobicContact CG2-CB 4.25Å; V235-M281 HydrophobicContact CG2-CG 4.35Å; V235-M281 HydrophobicContact CG2-SD 3.87Å; V235-M281 PolarHBondContact N-SD 3.02Å; V235-M281 VanDerWaalsContact N-SD 3.38Å; F270-M281 HydrophobicContact CD1-CE 3.69Å; F270-M281 HydrophobicContact CE1-CE 3.66Å; A271-M281 HydrophobicContact CB-CE 4.29Å; S274-M281 VanDerWaalsContact OG-CE 3.22Å; S274-M281 WeakPolarHBondContact OG-CE 3.16Å
282	Y	98.8	Very high	96.9	Very high	64 Å²	64	38 Å²	38	25%	0.251	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	143.6	177.4	-68.2	-94.5	0	0	0	111.9	K186 I188 V189 A190 F230 P231 Q280	K186-Y282 HydrophobicContact CB-CD2 3.8Å; K186-Y282 HydrophobicContact CB-CE2 4.36Å; K186-Y282 HydrophobicContact CB-CG 4.36Å; K186-Y282 HydrophobicContact CD-CD1 4.24Å; K186-Y282 HydrophobicContact CD-CD2 3.78Å; K186-Y282 HydrophobicContact CD-CE1 4.29Å; K186-Y282 HydrophobicContact CD-CE2 3.83Å; K186-Y282 HydrophobicContact CD-CG 4Å; K186-Y282 HydrophobicContact CG-CD1 4.49Å; K186-Y282 HydrophobicContact CG-CD2 3.72Å; K186-Y282 HydrophobicContact CG-CE2 4.26Å; K186-Y282 HydrophobicContact CG-CG 3.85Å; I188-Y282 PolarHBondContact O-N 2.78Å; I188-Y282 VanDerWaalsContact O-N 3.1Å; V189-Y282 CarbonylContact C-O 3.48Å; V189-Y282 VanDerWaalsContact CA-O 3.31Å; V189-Y282 WeakPolarHBondContact CA-O 2.97Å; A190-Y282 PolarHBondContact N-O 3.44Å; F230-Y282 CarbonylContact O-C 3.5Å; F230-Y282 VanDerWaalsContact O-CA 3.27Å; F230-Y282 WeakPolarHBondContact O-CA 3.42Å; P231-Y282 HydrophobicContact CB-CD1 4.41Å; P231-Y282 HydrophobicContact CB-CE1 4.04Å; Q280-Y282 HydrophobicContact CB-CE2 3.82Å; Q280-Y282 HydrophobicContact CG-CD2 4.25Å; Q280-Y282 HydrophobicContact CG-CE1 4.29Å; Q280-Y282 HydrophobicContact CG-CE2 3.59Å; Q280-Y282 WeakPolarHBondContact O-CD2 3.35Å; Q280-Y282 WeakPolarHBondContact O-CE2 3.26Å
283	L	98.6	Very high	96.8	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	133.7	169	-179	83	0	0	0	109.7	A190 M192 F202 I221 C229 F230 V232 V235	A190-L283 HydrophobicContact CB-CD1 4.05Å; M192-L283 HydrophobicContact CB-CD1 3.88Å; M192-L283 HydrophobicContact CB-CD2 4.01Å; M192-L283 HydrophobicContact CB-CG 3.98Å; M192-L283 HydrophobicContact CG-CD1 4.27Å; M192-L283 HydrophobicContact CG-CD2 3.93Å; M192-L283 HydrophobicContact CG-CG 4.39Å; M192-L283 HydrophobicContact SD-CD2 3.95Å; F202-L283 HydrophobicContact CB-CD1 3.81Å; F202-L283 HydrophobicContact CB-CD2 4.14Å; F202-L283 HydrophobicContact CB-CG 4.36Å; F202-L283 HydrophobicContact CD1-CD1 3.86Å; F202-L283 HydrophobicContact CD1-CD2 3.35Å; F202-L283 HydrophobicContact CD1-CG 4.18Å; F202-L283 HydrophobicContact CD2-CD2 3.57Å; F202-L283 HydrophobicContact CE1-CD2 3.48Å; F202-L283 VanDerWaalsContact CE1-CD2 3.48Å; F202-L283 HydrophobicContact CE2-CD2 3.67Å; F202-L283 HydrophobicContact CG-CD1 3.94Å; F202-L283 HydrophobicContact CG-CD2 3.4Å; F202-L283 HydrophobicContact CG-CG 4.13Å; F202-L283 HydrophobicContact CZ-CD2 3.64Å; I221-L283 HydrophobicContact CG2-CD2 3.8Å; C229-L283 CarbonylContact C-O 3.56Å; C229-L283 VanDerWaalsContact CA-O 3.22Å; C229-L283 WeakPolarHBondContact CA-O 3.4Å; F230-L283 PolarHBondContact N-O 2.8Å; F230-L283 PolarHBondContact O-N 2.89Å; V232-L283 HydrophobicContact CG1-CB 4.21Å; V232-L283 HydrophobicContact CG2-CB 4.02Å; V235-L283 HydrophobicContact CG1-CB 4.36Å
284	C	98.5	Very high	96.6	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	130.2	176.1	-69.5	0	0	0	0	112.5	V189 A190 M192 G228 C229 Y289	V189-C284 VanDerWaalsContact CG2-SG 3.52Å; A190-C284 PolarHBondContact O-N 3.33Å; M192-C284 WeakPolarHBondContact CB-O 3.44Å; M192-C284 PolarHBondContact N-O 2.72Å; G228-C284 WeakPolarHBondContact O-CA 3.44Å; C229-C284 HydrophobicContact CB-CB 4.2Å; C229-C284 WeakPolarHBondContact CB-SG 3.48Å; C229-C284 VanDerWaalsContact SG-CA 3.56Å; C229-C284 WeakPolarHBondContact SG-CB 3.41Å; C229-C284 CovalentContact SG-SG 2.03Å; C229-C284 PolarHBondContact SG-SG 3.16Å; C284-Y289 HydrophobicContact CB-CE2 4.29Å; C284-Y289 WeakPolarHBondContact O-CE2 3.25Å
285	N	98.1	Very high	96.3	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.209	C	C	.	.			trans	-127.9	29.4	174	73.5	-13.5	0	0	0	111.8	M192 I221 W224 R226 S227 G228 F230 E287	M192-N285 HydrophobicContact CB-CB 3.85Å; M192-N285 HydrophobicContact CE-CB 3.66Å; M192-N285 HydrophobicContact CG-CB 4.45Å; M192-N285 HydrophobicContact SD-CB 3.81Å; I221-N285 PolarHBondContact O-ND2 2.91Å; W224-N285 PolarHBondContact NE1-O 3.46Å; R226-N285 PolarHBondContact O-ND2 3.09Å; S227-N285 VanDerWaalsContact CA-OD1 3.27Å; S227-N285 WeakPolarHBondContact CA-OD1 3.47Å; S227-N285 PolarHBondContact OG-O 2.82Å; S227-N285 VanDerWaalsContact OG-O 3.12Å; G228-N285 PolarHBondContact N-OD1 2.94Å; G228-N285 PolarHBondContact O-N 3.47Å; G228-N285 PolarHBondContact O-OD1 3.21Å; G228-N285 VanDerWaalsContact O-OD1 3.06Å; F230-N285 VanDerWaalsContact CE2-OD1 3.31Å; F230-N285 WeakPolarHBondContact CE2-OD1 3.46Å; N285-E287 VanDerWaalsContact C-N 3.32Å
286	R	97.4	Very high	96.2	Very high	131 Å²	131	35.7 Å²	35.7	49%	0.494	19%	0.187	S	C	.	.	S	Bend	trans	-61.4	-44	176.3	-65.1	-169.5	-171.4	-83.2	5.7	112.1	E184 S227	E184-R286 IonicContact OE1-CZ 2.72Å; E184-R286 IonicContact OE1-NE 3.51Å; E184-R286 PolarHBondContact OE1-NE 2.91Å; E184-R286 IonicContact OE1-NH2 3.66Å; E184-R286 PolarHBondContact OE1-NH2 2.85Å; E184-R286 VanDerWaalsContact OE1-NH2 3.1Å; S227-R286 WeakPolarHBondContact OG-CA 3.48Å
287	E	96.7	Very high	96.1	Very high	94 Å²	94	34.6 Å²	34.6	44%	0.439	18%	0.18	S	C	.	.	S	Bend	trans	-109.3	169.1	176.4	-63.9	-56.3	147.8	0	0	110.7	L180 W224 N285 Y289	L180-E287 HydrophobicContact CD1-CB 4.36Å; L180-E287 HydrophobicContact CD1-CG 3.78Å; W224-E287 PolarHBondContact NE1-O 3.47Å; N285-E287 VanDerWaalsContact C-N 3.32Å; E287-Y289 HydrophobicContact CB-CD2 4.49Å; E287-Y289 HydrophobicContact CB-CE1 4.25Å; E287-Y289 HydrophobicContact CB-CE2 4.15Å; E287-Y289 WeakPolarHBondContact O-CD2 3.44Å; E287-Y289 WeakPolarHBondContact O-CE2 3.46Å
288	H	96.4	Very high	95.9	Very high	25 Å²	25	35.6 Å²	35.6	12%	0.116	19%	0.186	C	C	.	.			trans	-79.5	120.3	154.4	-169.9	-79.1	0	0	0	107.7	N174 E194 Y291	N174-H288 VanDerWaalsContact CB-O 3.31Å; N174-H288 WeakPolarHBondContact CB-O 3.5Å; N174-H288 PolarHBondContact ND2-O 2.96Å; E194-H288 IonicContact OE2-CD2 3.85Å; E194-H288 PolarHBondContact OE2-CD2 3.12Å; E194-H288 IonicContact OE2-CE1 3.73Å; E194-H288 IonicContact OE2-NE2 3.55Å; E194-H288 PolarHBondContact OE2-NE2 3.49Å; H288-Y291 AromaticContact CE1-CE1 3.82Å; H288-Y291 AromaticContact CE1-CE2 3.57Å; H288-Y291 AromaticContact CE1-CZ 3.37Å; H288-Y291 AromaticContact NE2-CE1 3.74Å; H288-Y291 AromaticContact NE2-CZ 3.64Å
289	Y	97.9	Very high	95.6	Very high	2 Å²	2	37.5 Å²	37.5	1%	0.008	18%	0.177	C	C	.	.			trans	-101.3	-29.9	-174.5	-69.8	-81	0	0	0	113.6	L172 T173 N174 T177 L180 P191 C284 E287	L172-Y289 CarbonylContact C-O 3.57Å; T173-Y289 PolarHBondContact N-O 3.03Å; N174-Y289 WeakPolarHBondContact CB-O 3.34Å; N174-Y289 PolarHBondContact N-O 3.05Å; N174-Y289 VanDerWaalsContact N-O 3.12Å; T177-Y289 HydrophobicContact CG2-CD1 3.85Å; L180-Y289 HydrophobicContact CB-CE1 4.01Å; L180-Y289 HydrophobicContact CD1-CD1 4.49Å; L180-Y289 HydrophobicContact CD1-CE1 3.75Å; P191-Y289 HydrophobicContact CB-CD1 3.76Å; P191-Y289 HydrophobicContact CB-CD2 3.79Å; P191-Y289 HydrophobicContact CB-CE1 4.38Å; P191-Y289 HydrophobicContact CB-CE2 4.43Å; P191-Y289 HydrophobicContact CB-CG 3.41Å; P191-Y289 VanDerWaalsContact CB-CG 3.41Å; C284-Y289 HydrophobicContact CB-CE2 4.29Å; C284-Y289 WeakPolarHBondContact O-CE2 3.25Å; E287-Y289 HydrophobicContact CB-CD2 4.49Å; E287-Y289 HydrophobicContact CB-CE1 4.25Å; E287-Y289 HydrophobicContact CB-CE2 4.15Å; E287-Y289 WeakPolarHBondContact O-CD2 3.44Å; E287-Y289 WeakPolarHBondContact O-CE2 3.46Å
290	G	97.3	Very high	95.4	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	18%	0.18	C	C	.	.			trans	161.6	-175.9	-167.5	0	0	0	0	0	114.2	F171 T173 E194	F171-G290 CarbonylContact O-C 3.6Å; F171-G290 WeakPolarHBondContact O-CA 3.5Å; T173-G290 WeakPolarHBondContact OG1-CA 3.21Å; E194-G290 PolarHBondContact N-O 3.25Å
291	Y	97.5	Very high	95.2	Very high	18 Å²	18	37.7 Å²	37.7	7%	0.071	18%	0.182	C	C	.	.	B	Isolated β-bridge	trans	-122.5	157.4	-176.6	-63	-82.1	0	0	0	112.4	F171 T173 E194 H288 V312 A316 R320 M323	F171-Y291 PolarHBondContact N-O 3.37Å; F171-Y291 PolarHBondContact O-N 3.34Å; T173-Y291 HydrophobicContact CG2-CD2 3.76Å; T173-Y291 HydrophobicContact CG2-CE2 4.1Å; E194-Y291 HydrophobicContact CB-CD1 3.82Å; E194-Y291 HydrophobicContact CB-CE1 4.05Å; E194-Y291 HydrophobicContact CG-CD1 4.18Å; E194-Y291 HydrophobicContact CG-CE1 4.15Å; E194-Y291 CarbonylContact O-C 3.6Å; E194-Y291 WeakPolarHBondContact O-CA 3.43Å; E194-Y291 VanDerWaalsContact OE2-CE1 3.29Å; E194-Y291 WeakPolarHBondContact OE2-CE1 3.47Å; H288-Y291 AromaticContact CE1-CE1 3.82Å; H288-Y291 AromaticContact CE1-CE2 3.57Å; H288-Y291 AromaticContact CE1-CZ 3.37Å; H288-Y291 AromaticContact NE2-CE1 3.74Å; H288-Y291 AromaticContact NE2-CZ 3.64Å; Y291-V312 HydrophobicContact CG-CG1 4.48Å; Y291-A316 HydrophobicContact CD1-CB 4.4Å; Y291-A316 HydrophobicContact CD2-CB 3.89Å; Y291-A316 HydrophobicContact CE1-CB 4.02Å; Y291-A316 HydrophobicContact CE2-CB 3.45Å; Y291-A316 VanDerWaalsContact CE2-CB 3.45Å; Y291-A316 HydrophobicContact CG-CB 4.35Å; Y291-R320 WeakPolarHBondContact OH-CG 3.26Å; Y291-M323 HydrophobicContact CD2-CE 4.33Å; Y291-M323 HydrophobicContact CD2-SD 4.18Å
292	L	95.9	Very high	95.1	Very high	2 Å²	2	39 Å²	39	1%	0.01	19%	0.189	C	C	.	.			trans	-143.7	146.9	164.5	80.9	177.4	0	0	0	111.9	N170 L193 E194 S195 Y199 N201	N170-L292 WeakPolarHBondContact OD1-CB 3.39Å; L193-L292 HydrophobicContact CB-CB 4.46Å; L193-L292 HydrophobicContact CB-CD2 3.74Å; L193-L292 HydrophobicContact CB-CG 4.47Å; L193-L292 WeakPolarHBondContact O-CD2 3.16Å; E194-L292 PolarHBondContact O-N 3.2Å; S195-L292 VanDerWaalsContact CA-O 3.27Å; S195-L292 WeakPolarHBondContact CA-O 3.25Å; S195-L292 VanDerWaalsContact CB-O 3.25Å; S195-L292 WeakPolarHBondContact CB-O 3.35Å; Y199-L292 HydrophobicContact CD1-CD1 4.34Å; Y199-L292 HydrophobicContact CD1-CG 4.26Å; Y199-L292 HydrophobicContact CE1-CD1 3.61Å; Y199-L292 HydrophobicContact CE1-CG 3.92Å; N201-L292 HydrophobicContact CB-CD1 3.95Å
293	P	94.5	Very high	94.8	Very high	10 Å²	10	41.2 Å²	41.2	7%	0.065	20%	0.202	C	C	.	.	P	Polyproline II helix	trans	-70.2	165.3	172.7	29.8	-33.6	0	0	0	112.1	D169 Y199 V312	D169-P293 HydrophobicContact CB-CG 3.84Å; D169-P293 WeakPolarHBondContact O-CD 3.3Å; Y199-P293 WeakPolarHBondContact CE1-O 3.25Å; P293-V312 HydrophobicContact CB-CG2 4.06Å
294	I	91.3	Very high	94.6	Very high	50 Å²	50	43 Å²	43	26%	0.256	21%	0.21	S	C	.	.	P	Polyproline II helix	trans	-78.6	130.5	166.3	-56.6	178.5	0	0	0	107.7	R196 L296 N308	R196-I294 HydrophobicContact CB-CD1 3.95Å; R196-I294 HydrophobicContact CB-CG1 4.34Å; R196-I294 HydrophobicContact CG-CD1 4.19Å; R196-I294 WeakPolarHBondContact O-CD1 3.31Å; I294-L296 PolarHBondContact O-N 3.34Å; I294-N308 PolarHBondContact O-ND2 3.5Å
295	P	90.2	Very high	94.4	Very high	49 Å²	49	43.5 Å²	43.5	32%	0.318	21%	0.212	S	C	.	.	P	Polyproline II helix	trans	-57.9	134.8	176.9	-26.4	33.5	0	0	0	112.3	Y199	Y199-P295 HydrophobicContact CE1-CG 3.9Å; Y199-P295 HydrophobicContact CE2-CG 3.81Å; Y199-P295 VanDerWaalsContact OH-CG 3.23Å; Y199-P295 WeakPolarHBondContact OH-CG 3.34Å
296	L	91.8	Very high	94.3	Very high	23 Å²	23	46 Å²	46	12%	0.12	23%	0.226	C	C	.	.	P	Polyproline II helix	trans	-74.8	156.8	174.6	-60.5	-172.2	0	0	0	112.4	K134 I294 Q300 E304 D305 N308	K134-L296 HydrophobicContact CB-CB 4.3Å; K134-L296 HydrophobicContact CD-CD1 4.34Å; K134-L296 HydrophobicContact CG-CB 4.11Å; K134-L296 HydrophobicContact CG-CD1 4.1Å; I294-L296 PolarHBondContact O-N 3.34Å; L296-Q300 HydrophobicContact CB-CB 3.99Å; L296-Q300 HydrophobicContact CD1-CB 4.09Å; L296-E304 HydrophobicContact CD1-CB 4.09Å; L296-D305 HydrophobicContact CD1-CB 3.69Å; L296-D305 VanDerWaalsContact CD1-OD1 3.32Å; L296-D305 WeakPolarHBondContact CD1-OD1 3.23Å; L296-N308 HydrophobicContact CD2-CB 4.44Å
297	K	91.5	Very high	94.1	Very high	71 Å²	71	41.3 Å²	41.3	31%	0.309	21%	0.209	S	C	.	.	P	Polyproline II helix	trans	-72.5	159	172.4	-58.9	-178.8	-178.9	-178.4	0	110.9	H299 Q300	K297-H299 PolarHBondContact O-N 3.3Å; K297-H299 VanDerWaalsContact O-N 3.15Å; K297-Q300 HydrophobicContact CB-CG 4.17Å; K297-Q300 WeakPolarHBondContact O-CB 3.43Å; K297-Q300 PolarHBondContact O-N 3.4Å
298	S	91.4	Very high	93.9	Very high	37 Å²	37	37 Å²	37	26%	0.259	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-30.7	-173.7	51.2	0	0	0	0	115.7
299	H	90.6	Very high	93.9	Very high	110 Å²	110	36.2 Å²	36.2	51%	0.509	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89	-5.4	179.9	57.1	-103.5	0	0	0	114.1	K297	K297-H299 PolarHBondContact O-N 3.3Å; K297-H299 VanDerWaalsContact O-N 3.15Å
300	Q	92.9	Very high	93.7	Very high	33 Å²	33	37.5 Å²	37.5	15%	0.154	19%	0.192	C	C	.	.			trans	-80.7	153.3	-176.3	-67.7	-172.2	-87.1	0	0	112.1	L296 K297 E304	L296-Q300 HydrophobicContact CB-CB 3.99Å; L296-Q300 HydrophobicContact CD1-CB 4.09Å; K297-Q300 HydrophobicContact CB-CG 4.17Å; K297-Q300 WeakPolarHBondContact O-CB 3.43Å; K297-Q300 PolarHBondContact O-N 3.4Å; Q300-E304 WeakPolarHBondContact CA-OE2 3.46Å; Q300-E304 PolarHBondContact NE2-OE1 2.98Å
301	T	94.5	Very high	93.6	Very high	67 Å²	67	38.1 Å²	38.1	41%	0.411	20%	0.195	S	C	.	.			trans	-91.8	166.4	-170	62.2	0	0	0	0	112.7	Q303 E304 D305	T301-Q303 PolarHBondContact O-N 2.93Å; T301-E304 WeakPolarHBondContact CB-OE2 3.45Å; T301-E304 PolarHBondContact N-OE2 3.03Å; T301-E304 PolarHBondContact O-N 2.92Å; T301-E304 WeakPolarHBondContact OG1-CG 3.3Å; T301-E304 PolarHBondContact OG1-N 3.26Å; T301-E304 PolarHBondContact OG1-OE2 2.84Å; T301-D305 PolarHBondContact O-N 3.3Å
302	L	94.7	Very high	93.5	Very high	33 Å²	33	37.8 Å²	37.8	17%	0.173	20%	0.195	C	C	.	.	H	α-helix	trans	-66.9	-26.2	170.7	-60	-173.9	0	0	0	112.7	N63 V95 D96 P133 K134 D305 I306	N63-L302 HydrophobicContact CB-CD1 3.94Å; N63-L302 HydrophobicContact CB-CD2 3.6Å; N63-L302 HydrophobicContact CB-CG 4.44Å; V95-L302 HydrophobicContact CG2-CD1 3.73Å; D96-L302 HydrophobicContact CB-CD1 4.29Å; P133-L302 HydrophobicContact CB-CD2 3.81Å; P133-L302 HydrophobicContact CB-CG 4.2Å; P133-L302 HydrophobicContact CG-CD2 3.89Å; P133-L302 HydrophobicContact CG-CG 3.98Å; K134-L302 HydrophobicContact CD-CD2 4.39Å; L302-D305 VanDerWaalsContact O-CB 3.32Å; L302-D305 WeakPolarHBondContact O-CB 3.44Å; L302-D305 PolarHBondContact O-N 3.09Å; L302-I306 WeakPolarHBondContact O-CG1 3.46Å; L302-I306 PolarHBondContact O-N 2.78Å
303	Q	93.9	Very high	93.5	Very high	111 Å²	111	38.2 Å²	38.2	52%	0.519	20%	0.197	S	C	.	.	H	α-helix	trans	-66.1	-39.9	175.1	-173.1	59.9	31.9	0	0	111.6	T301 D305 I306 E307	T301-Q303 PolarHBondContact O-N 2.93Å; Q303-D305 PolarHBondContact O-N 3.36Å; Q303-I306 WeakPolarHBondContact O-CB 3.26Å; Q303-I306 PolarHBondContact O-N 3.33Å; Q303-E307 VanDerWaalsContact O-CG 3.3Å; Q303-E307 WeakPolarHBondContact O-CG 3.38Å; Q303-E307 PolarHBondContact O-N 3.41Å
304	E	93.6	Very high	93.5	Very high	36 Å²	36	38 Å²	38	17%	0.168	20%	0.195	C	C	.	.	H	α-helix	trans	-67.2	-26.7	173.8	-69.3	164	98	0	0	112.2	L296 Q300 T301 E307 N308	L296-E304 HydrophobicContact CD1-CB 4.09Å; Q300-E304 WeakPolarHBondContact CA-OE2 3.46Å; Q300-E304 PolarHBondContact NE2-OE1 2.98Å; T301-E304 WeakPolarHBondContact CB-OE2 3.45Å; T301-E304 PolarHBondContact N-OE2 3.03Å; T301-E304 PolarHBondContact O-N 2.92Å; T301-E304 WeakPolarHBondContact OG1-CG 3.3Å; T301-E304 PolarHBondContact OG1-N 3.26Å; T301-E304 PolarHBondContact OG1-OE2 2.84Å; E304-E307 PolarHBondContact O-N 2.92Å; E304-N308 VanDerWaalsContact O-CB 3.22Å; E304-N308 WeakPolarHBondContact O-CB 3.32Å; E304-N308 PolarHBondContact O-N 2.8Å
305	D	94.8	Very high	93.6	Very high	11 Å²	11	38 Å²	38	6%	0.059	19%	0.194	C	C	.	.	H	α-helix	trans	-72.9	-40.7	176.1	-142.5	33.3	0	0	0	111	H66 K134 L296 T301 L302 Q303 N308 L309	H66-D305 IonicContact CE1-OD2 3.64Å; H66-D305 PolarHBondContact CE1-OD2 2.87Å; H66-D305 VanDerWaalsContact CE1-OD2 3.25Å; H66-D305 IonicContact NE2-OD2 3.6Å; H66-D305 PolarHBondContact NE2-OD2 3.43Å; K134-D305 WeakPolarHBondContact CE-OD1 3.22Å; K134-D305 WeakPolarHBondContact CE-OD2 3.31Å; K134-D305 IonicContact NZ-OD1 3.44Å; K134-D305 PolarHBondContact NZ-OD1 3.43Å; K134-D305 IonicContact NZ-OD2 2.68Å; K134-D305 PolarHBondContact NZ-OD2 2.82Å; L296-D305 HydrophobicContact CD1-CB 3.69Å; L296-D305 VanDerWaalsContact CD1-OD1 3.32Å; L296-D305 WeakPolarHBondContact CD1-OD1 3.23Å; T301-D305 PolarHBondContact O-N 3.3Å; L302-D305 VanDerWaalsContact O-CB 3.32Å; L302-D305 WeakPolarHBondContact O-CB 3.44Å; L302-D305 PolarHBondContact O-N 3.09Å; Q303-D305 PolarHBondContact O-N 3.36Å; D305-N308 WeakPolarHBondContact O-CB 3.39Å; D305-N308 PolarHBondContact O-N 3.03Å; D305-L309 PolarHBondContact O-N 3.36Å
306	I	94.9	Very high	93.8	Very high	54 Å²	54	35.7 Å²	35.7	28%	0.277	18%	0.18	S	C	.	.	H	α-helix	trans	-59.5	-48.2	168.9	-66.9	162.7	0	0	0	110.6	H66 L302 Q303 N308 L309 I310	H66-I306 HydrophobicContact CB-CD1 4.45Å; H66-I306 HydrophobicContact CB-CG1 3.62Å; L302-I306 WeakPolarHBondContact O-CG1 3.46Å; L302-I306 PolarHBondContact O-N 2.78Å; Q303-I306 WeakPolarHBondContact O-CB 3.26Å; Q303-I306 PolarHBondContact O-N 3.33Å; I306-N308 VanDerWaalsContact C-N 3.28Å; I306-N308 PolarHBondContact O-N 2.97Å; I306-L309 PolarHBondContact O-N 3.01Å; I306-I310 HydrophobicContact CG2-CD1 3.75Å; I306-I310 HydrophobicContact CG2-CG1 4.48Å; I306-I310 VanDerWaalsContact O-CG1 3.3Å; I306-I310 WeakPolarHBondContact O-CG1 3.46Å; I306-I310 PolarHBondContact O-N 3.29Å
307	E	93.4	Very high	93.9	Very high	31 Å²	31	35.2 Å²	35.2	15%	0.145	18%	0.177	C	C	.	.	H	α-helix	trans	-61.2	-34.5	176.6	-70	167.9	167.8	0	0	112.5	Q303 E304 H311 Q444 K447	Q303-E307 VanDerWaalsContact O-CG 3.3Å; Q303-E307 WeakPolarHBondContact O-CG 3.38Å; Q303-E307 PolarHBondContact O-N 3.41Å; E304-E307 PolarHBondContact O-N 2.92Å; E307-H311 WeakPolarHBondContact O-CB 3.5Å; E307-H311 PolarHBondContact O-N 3.36Å; E307-Q444 HydrophobicContact CB-CG 4.18Å; E307-Q444 HydrophobicContact CG-CG 4.46Å; E307-Q444 WeakPolarHBondContact OE2-CG 3.43Å; E307-Q444 PolarHBondContact OE2-NE2 2.93Å; E307-K447 WeakPolarHBondContact OE1-CD 3.3Å; E307-K447 IonicContact OE1-NZ 2.58Å; E307-K447 IonicContact OE2-NZ 2.64Å; E307-K447 PolarHBondContact OE2-NZ 2.71Å
308	N	93.5	Very high	93.9	Very high	5 Å²	5	33.1 Å²	33.1	3%	0.027	17%	0.169	C	C	.	.	H	α-helix	trans	-71	-44.7	176.4	-168	23.6	0	0	0	111.4	I294 L296 E304 D305 I306 H311 V312	I294-N308 PolarHBondContact O-ND2 3.5Å; L296-N308 HydrophobicContact CD2-CB 4.44Å; E304-N308 VanDerWaalsContact O-CB 3.22Å; E304-N308 WeakPolarHBondContact O-CB 3.32Å; E304-N308 PolarHBondContact O-N 2.8Å; D305-N308 WeakPolarHBondContact O-CB 3.39Å; D305-N308 PolarHBondContact O-N 3.03Å; I306-N308 VanDerWaalsContact C-N 3.28Å; I306-N308 PolarHBondContact O-N 2.97Å; N308-H311 PolarHBondContact O-N 3.4Å; N308-V312 WeakPolarHBondContact O-CG2 3.18Å; N308-V312 PolarHBondContact O-N 2.88Å
309	L	95.1	Very high	93.7	Very high	8 Å²	8	36.6 Å²	36.6	4%	0.042	18%	0.184	C	C	.	.	H	α-helix	trans	-60.3	-50.7	173.8	175.2	63.2	0	0	0	111.9	H66 T67 F171 D305 I306 H311 V312 Q313	H66-L309 VanDerWaalsContact C-CD2 3.49Å; H66-L309 HydrophobicContact CB-CD2 4.29Å; H66-L309 WeakPolarHBondContact O-CD2 3.25Å; T67-L309 HydrophobicContact CG2-CD1 4.47Å; T67-L309 HydrophobicContact CG2-CD2 4.13Å; F171-L309 HydrophobicContact CE1-CD1 4.24Å; F171-L309 HydrophobicContact CE2-CD1 3.63Å; F171-L309 HydrophobicContact CZ-CD1 3.32Å; D305-L309 PolarHBondContact O-N 3.36Å; I306-L309 PolarHBondContact O-N 3.01Å; L309-H311 PolarHBondContact O-N 3.34Å; L309-V312 WeakPolarHBondContact O-CB 3.43Å; L309-V312 PolarHBondContact O-N 3.07Å; L309-Q313 HydrophobicContact CD1-CG 4.2Å; L309-Q313 HydrophobicContact CG-CG 4.39Å; L309-Q313 WeakPolarHBondContact O-CG 3.4Å; L309-Q313 PolarHBondContact O-N 3.33Å
310	I	95.1	Very high	93.8	Very high	29 Å²	29	37 Å²	37	15%	0.149	18%	0.181	C	C	.	.	H	α-helix	trans	-54.9	-43.3	179	-70	164	0	0	0	109.7	I306 V312 Q313 I314 E365 Q366	I306-I310 HydrophobicContact CG2-CD1 3.75Å; I306-I310 HydrophobicContact CG2-CG1 4.48Å; I306-I310 VanDerWaalsContact O-CG1 3.3Å; I306-I310 WeakPolarHBondContact O-CG1 3.46Å; I306-I310 PolarHBondContact O-N 3.29Å; I310-V312 PolarHBondContact O-N 2.97Å; I310-Q313 PolarHBondContact O-N 3.43Å; I310-I314 HydrophobicContact CG2-CG2 4.43Å; I310-I314 WeakPolarHBondContact O-CG1 3.2Å; I310-I314 WeakPolarHBondContact O-CG2 3.16Å; I310-I314 PolarHBondContact O-N 3Å; I310-E365 WeakPolarHBondContact CD1-O 3.35Å; I310-E365 HydrophobicContact CG2-CB 4.36Å; I310-Q366 HydrophobicContact CG2-CG 3.71Å
311	H	94.8	Very high	93.7	Very high	12 Å²	12	40.7 Å²	40.7	6%	0.056	21%	0.208	C	C	.	.	H	α-helix	trans	-63	-41.5	177	-172.3	60.4	0	0	0	113.1	R196 E307 N308 L309 Q313 I314 E315 F441	R196-H311 WeakPolarHBondContact CD-NE2 3.41Å; E307-H311 WeakPolarHBondContact O-CB 3.5Å; E307-H311 PolarHBondContact O-N 3.36Å; N308-H311 PolarHBondContact O-N 3.4Å; L309-H311 PolarHBondContact O-N 3.34Å; H311-Q313 VanDerWaalsContact C-N 3.33Å; H311-Q313 PolarHBondContact O-N 2.78Å; H311-I314 WeakPolarHBondContact O-CG1 3.39Å; H311-I314 PolarHBondContact O-N 3.49Å; H311-E315 WeakPolarHBondContact O-CB 3.31Å; H311-E315 WeakPolarHBondContact O-CG 3.27Å; H311-E315 PolarHBondContact O-N 3.02Å; H311-F441 PolarHBondContact CE1-O 3.35Å; H311-F441 VanDerWaalsContact CE1-O 3.31Å; H311-F441 PolarHBondContact ND1-O 2.79Å
312	V	95	Very high	93.6	Very high	12 Å²	12	39.6 Å²	39.6	7%	0.073	20%	0.202	C	C	.	.	H	α-helix	trans	-61.4	-41.2	173.1	172.3	0	0	0	0	111.5	Y291 P293 N308 L309 I310 A316 M323	Y291-V312 HydrophobicContact CG-CG1 4.48Å; P293-V312 HydrophobicContact CB-CG2 4.06Å; N308-V312 WeakPolarHBondContact O-CG2 3.18Å; N308-V312 PolarHBondContact O-N 2.88Å; L309-V312 WeakPolarHBondContact O-CB 3.43Å; L309-V312 PolarHBondContact O-N 3.07Å; I310-V312 PolarHBondContact O-N 2.97Å; V312-A316 VanDerWaalsContact O-CB 3.26Å; V312-A316 WeakPolarHBondContact O-CB 3.43Å; V312-A316 PolarHBondContact O-N 2.59Å; V312-M323 HydrophobicContact CG1-CE 4.15Å
313	Q	95.3	Very high	93.5	Very high	10 Å²	10	38.4 Å²	38.4	5%	0.047	20%	0.196	C	C	.	.	H	α-helix	trans	-64.4	-46.6	178.6	-67.3	-177.1	-86.7	0	0	112.4	H70 L309 I310 H311 A316 M317 M323	H70-Q313 PolarHBondContact CD2-NE2 3.28Å; H70-Q313 VanDerWaalsContact CD2-NE2 3.34Å; H70-Q313 PolarHBondContact CE1-NE2 3.32Å; H70-Q313 PolarHBondContact ND1-NE2 2.84Å; H70-Q313 PolarHBondContact NE2-NE2 3.11Å; H70-Q313 VanDerWaalsContact NE2-NE2 3.17Å; L309-Q313 HydrophobicContact CD1-CG 4.2Å; L309-Q313 HydrophobicContact CG-CG 4.39Å; L309-Q313 WeakPolarHBondContact O-CG 3.4Å; L309-Q313 PolarHBondContact O-N 3.33Å; I310-Q313 PolarHBondContact O-N 3.43Å; H311-Q313 VanDerWaalsContact C-N 3.33Å; H311-Q313 PolarHBondContact O-N 2.78Å; Q313-A316 PolarHBondContact O-N 2.8Å; Q313-M317 WeakPolarHBondContact O-CG 3.45Å; Q313-M317 PolarHBondContact O-N 2.89Å; Q313-M317 VanDerWaalsContact O-N 3.13Å; Q313-M323 HydrophobicContact CB-CE 4.35Å; Q313-M323 HydrophobicContact CG-CE 3.92Å
314	I	95.3	Very high	93.6	Very high	5 Å²	5	37 Å²	37	3%	0.026	19%	0.19	C	C	.	.	H	α-helix	trans	-74.4	-31.2	-176.6	69.8	-175.9	0	0	0	113.1	I310 H311 M317 T362 E365 Q366 F441	I310-I314 HydrophobicContact CG2-CG2 4.43Å; I310-I314 WeakPolarHBondContact O-CG1 3.2Å; I310-I314 WeakPolarHBondContact O-CG2 3.16Å; I310-I314 PolarHBondContact O-N 3Å; H311-I314 WeakPolarHBondContact O-CG1 3.39Å; H311-I314 PolarHBondContact O-N 3.49Å; I314-M317 HydrophobicContact CB-CE 4.27Å; I314-M317 HydrophobicContact CG2-CE 3.84Å; I314-T362 HydrophobicContact CB-CG2 3.92Å; I314-T362 HydrophobicContact CD1-CG2 4.39Å; I314-T362 HydrophobicContact CG2-CG2 3.85Å; I314-E365 HydrophobicContact CG2-CB 4.27Å; I314-Q366 HydrophobicContact CD1-CG 4.42Å; I314-F441 HydrophobicContact CD1-CB 4.07Å
315	E	93	Very high	93.7	Very high	50 Å²	50	36.7 Å²	36.7	23%	0.234	19%	0.19	C	C	.	.	H	α-helix	trans	-70.2	-40.8	170.9	-71.9	-67.8	110.8	0	0	111.3	H311 M317 I318 R440	H311-E315 WeakPolarHBondContact O-CB 3.31Å; H311-E315 WeakPolarHBondContact O-CG 3.27Å; H311-E315 PolarHBondContact O-N 3.02Å; E315-M317 VanDerWaalsContact C-N 3.26Å; E315-M317 PolarHBondContact O-N 3.44Å; E315-I318 HydrophobicContact CB-CD1 4.49Å; E315-I318 WeakPolarHBondContact O-CB 3.46Å; E315-I318 VanDerWaalsContact O-CG1 3.31Å; E315-I318 WeakPolarHBondContact O-CG1 3.13Å; E315-I318 PolarHBondContact O-N 2.78Å; E315-I318 VanDerWaalsContact O-N 3.12Å; E315-R440 WeakPolarHBondContact OE1-CD 3.41Å; E315-R440 IonicContact OE1-NH1 2.63Å; E315-R440 IonicContact OE2-CZ 2.7Å; E315-R440 IonicContact OE2-NH1 3.1Å; E315-R440 PolarHBondContact OE2-NH1 2.64Å
316	A	93.6	Very high	93.9	Very high	2 Å²	2	36.3 Å²	36.3	2%	0.017	19%	0.189	C	C	.	.	H	α-helix	trans	-59	-38.1	175.2	0	0	0	0	0	112.3	Y291 V312 Q313 I318 R320 M323	Y291-A316 HydrophobicContact CD1-CB 4.4Å; Y291-A316 HydrophobicContact CD2-CB 3.89Å; Y291-A316 HydrophobicContact CE1-CB 4.02Å; Y291-A316 HydrophobicContact CE2-CB 3.45Å; Y291-A316 VanDerWaalsContact CE2-CB 3.45Å; Y291-A316 HydrophobicContact CG-CB 4.35Å; V312-A316 VanDerWaalsContact O-CB 3.26Å; V312-A316 WeakPolarHBondContact O-CB 3.43Å; V312-A316 PolarHBondContact O-N 2.59Å; Q313-A316 PolarHBondContact O-N 2.8Å; A316-I318 PolarHBondContact O-N 3.12Å; A316-I318 VanDerWaalsContact O-N 3.14Å; A316-R320 WeakPolarHBondContact O-CB 3.39Å; A316-R320 PolarHBondContact O-N 3.35Å; A316-R320 VanDerWaalsContact O-N 3.07Å; A316-M323 HydrophobicContact CB-CE 3.91Å
317	M	94.1	Very high	94	Very high	13 Å²	13	41.5 Å²	41.5	6%	0.064	21%	0.209	C	C	.	.	H	α-helix	trans	-68.5	-1.9	177.7	-74.9	-170.7	-62.4	0	0	115.2	Q313 I314 E315 R320 P322 R358 R361 E365	Q313-M317 WeakPolarHBondContact O-CG 3.45Å; Q313-M317 PolarHBondContact O-N 2.89Å; Q313-M317 VanDerWaalsContact O-N 3.13Å; I314-M317 HydrophobicContact CB-CE 4.27Å; I314-M317 HydrophobicContact CG2-CE 3.84Å; E315-M317 VanDerWaalsContact C-N 3.26Å; E315-M317 PolarHBondContact O-N 3.44Å; M317-R320 WeakPolarHBondContact CA-O 3.4Å; M317-P322 HydrophobicContact CG-CB 3.99Å; M317-P322 HydrophobicContact CG-CG 4.02Å; M317-P322 HydrophobicContact SD-CB 3.72Å; M317-P322 HydrophobicContact SD-CG 3.74Å; M317-R358 HydrophobicContact CB-CG 4.4Å; M317-R358 VanDerWaalsContact O-CD 3.26Å; M317-R358 WeakPolarHBondContact O-CD 2.98Å; M317-R358 WeakPolarHBondContact O-CG 3.37Å; M317-R361 HydrophobicContact CE-CG 4.18Å; M317-R361 HydrophobicContact SD-CB 4.24Å; M317-R361 HydrophobicContact SD-CG 3.84Å; M317-E365 HydrophobicContact CE-CG 4.37Å
318	I	91.7	Very high	94.2	Very high	26 Å²	26	42.9 Å²	42.9	13%	0.133	21%	0.214	C	C	.	.	H	α-helix	trans	-71.4	-50.2	174.8	-62.2	171.2	0	0	0	110.6	E315 A316 R440 T560	E315-I318 HydrophobicContact CB-CD1 4.49Å; E315-I318 WeakPolarHBondContact O-CB 3.46Å; E315-I318 VanDerWaalsContact O-CG1 3.31Å; E315-I318 WeakPolarHBondContact O-CG1 3.13Å; E315-I318 PolarHBondContact O-N 2.78Å; E315-I318 VanDerWaalsContact O-N 3.12Å; A316-I318 PolarHBondContact O-N 3.12Å; A316-I318 VanDerWaalsContact O-N 3.14Å; I318-R440 HydrophobicContact CD1-CB 3.81Å; I318-R440 VanDerWaalsContact CD1-CD 3.48Å; I318-R440 HydrophobicContact CD1-CG 4.31Å; I318-T560 HydrophobicContact CG1-CG2 4.15Å; I318-T560 HydrophobicContact CG2-CG2 3.89Å
319	D	88.7	Confident	94.4	Very high	110 Å²	110	43.3 Å²	43.3	59%	0.588	22%	0.216	S	C	*	.	H	α-helix	trans	-113.2	-12.8	-172.9	-69.5	-45.1	0	0	0	113.8	H561	D319-H561 IonicContact OD1-CE1 3.43Å; D319-H561 PolarHBondContact OD1-CE1 3.11Å; D319-H561 IonicContact OD1-NE2 2.79Å; D319-H561 PolarHBondContact OD1-NE2 3.02Å
320	R	91.2	Very high	94.4	Very high	118 Å²	118	46.8 Å²	46.8	45%	0.445	24%	0.241	S	C	.	.	S	Bend	trans	-125.6	158.2	-175	-56.5	-59.4	-175.4	-175.3	-0.1	112	Y291 A316 M317	Y291-R320 WeakPolarHBondContact OH-CG 3.26Å; A316-R320 WeakPolarHBondContact O-CB 3.39Å; A316-R320 PolarHBondContact O-N 3.35Å; A316-R320 VanDerWaalsContact O-N 3.07Å; M317-R320 WeakPolarHBondContact CA-O 3.4Å
321	P	91.6	Very high	94.3	Very high	111 Å²	111	49.9 Å²	49.9	72%	0.721	26%	0.258	S	S	*	.			trans	-55.8	150.8	167	-23.5	34.5	0	0	0	111.6
322	P	92.1	Very high	94	Very high	44 Å²	44	55.3 Å²	55.3	29%	0.286	29%	0.291	S	S	.	.			trans	-55.8	146.4	176	-25.1	34.5	0	0	0	113.5	M317 E324 R361	M317-P322 HydrophobicContact CG-CB 3.99Å; M317-P322 HydrophobicContact CG-CG 4.02Å; M317-P322 HydrophobicContact SD-CB 3.72Å; M317-P322 HydrophobicContact SD-CG 3.74Å; P322-E324 PolarHBondContact O-N 3.25Å; P322-R361 VanDerWaalsContact CB-NH1 3.28Å
323	M	93.2	Very high	93.8	Very high	9 Å²	9	58.2 Å²	58.2	4%	0.044	31%	0.311	C	S	.	.			trans	-72.2	97	168.5	-69.7	-172.9	-83	0	0	108.8	H70 F171 T173 Y291 V312 Q313 A316	H70-M323 PolarHBondContact CD2-O 2.71Å; H70-M323 VanDerWaalsContact CD2-O 3.22Å; F171-M323 HydrophobicContact CB-SD 3.52Å; F171-M323 VanDerWaalsContact CB-SD 3.52Å; F171-M323 HydrophobicContact CD1-SD 4.23Å; F171-M323 HydrophobicContact CD2-SD 4.31Å; F171-M323 HydrophobicContact CG-SD 3.75Å; T173-M323 HydrophobicContact CG2-CG 3.6Å; T173-M323 HydrophobicContact CG2-SD 3.59Å; T173-M323 VanDerWaalsContact CG2-SD 3.59Å; Y291-M323 HydrophobicContact CD2-CE 4.33Å; Y291-M323 HydrophobicContact CD2-SD 4.18Å; V312-M323 HydrophobicContact CG1-CE 4.15Å; Q313-M323 HydrophobicContact CB-CE 4.35Å; Q313-M323 HydrophobicContact CG-CE 3.92Å; A316-M323 HydrophobicContact CB-CE 3.91Å
324	E	95.1	Very high	93.7	Very high	82 Å²	82	60.1 Å²	60.1	38%	0.383	32%	0.319	S	S	.	.	P	Polyproline II helix	trans	-69.5	137.1	180	-61.5	-58.5	163.7	0	0	111.5	R77 P322 R361	R77-E324 PolarHBondContact NH1-O 2.73Å; R77-E324 PolarHBondContact NH2-O 2.83Å; P322-E324 PolarHBondContact O-N 3.25Å; E324-R361 VanDerWaalsContact CD-NH1 3.32Å; E324-R361 IonicContact OE1-CZ 3.54Å; E324-R361 IonicContact OE1-NH1 2.71Å; E324-R361 PolarHBondContact OE1-NH1 3.02Å; E324-R361 IonicContact OE1-NH2 3.43Å; E324-R361 IonicContact OE2-CZ 3.34Å; E324-R361 IonicContact OE2-NH1 3.89Å; E324-R361 PolarHBondContact OE2-NH1 3.24Å; E324-R361 IonicContact OE2-NH2 2.81Å; E324-R361 PolarHBondContact OE2-NH2 3.5Å
325	P	97	Very high	93.7	Very high	28 Å²	28	68.1 Å²	68.1	18%	0.182	35%	0.35	C	S	.	.	P	Polyproline II helix	trans	-65.5	165.8	174.3	26	-32.5	0	0	0	112.5	P69 L331	P69-P325 HydrophobicContact CB-CB 4.09Å; P69-P325 CarbonylContact O-C 3.59Å; P69-P325 WeakPolarHBondContact O-CA 3.45Å; P325-L331 HydrophobicContact CB-CD1 4.08Å; P325-L331 HydrophobicContact CB-CD2 3.83Å; P325-L331 HydrophobicContact CG-CD1 3.64Å; P325-L331 HydrophobicContact CG-CD2 4.32Å
326	S	98	Very high	93.9	Very high	4 Å²	4	68 Å²	68	3%	0.028	35%	0.353	C	S	.	.	P	Polyproline II helix	trans	-60.2	138	167.8	170.6	0	0	0	0	110.4	P69 E76 Y328	P69-S326 PolarHBondContact O-N 3.04Å; E76-S326 WeakPolarHBondContact OE1-CB 3.31Å; E76-S326 PolarHBondContact OE1-OG 3.06Å; S326-Y328 VanDerWaalsContact C-N 3.25Å; S326-Y328 PolarHBondContact OG-N 2.82Å
327	K	97.1	Very high	94.1	Very high	162 Å²	162	71 Å²	71	70%	0.704	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.3	2.3	172.5	69.1	-178.9	-177	178.8	0	113.4
328	Y	97.6	Very high	94.3	Very high	61 Å²	61	72.8 Å²	72.8	24%	0.239	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.1	12	-176.8	-58.6	-68.4	0	0	0	112.7	E76 N108 V109 L112 S326	E76-Y328 VanDerWaalsContact CD-CD2 3.46Å; E76-Y328 HydrophobicContact CG-CD2 4.26Å; E76-Y328 HydrophobicContact CG-CE2 4.3Å; E76-Y328 WeakPolarHBondContact OE1-CD2 3.34Å; E76-Y328 WeakPolarHBondContact OE2-CD2 3.29Å; N108-Y328 HydrophobicContact CB-CD1 4.1Å; N108-Y328 HydrophobicContact CB-CG 4.28Å; N108-Y328 PolarHBondContact ND2-O 3.02Å; V109-Y328 HydrophobicContact CG1-CD1 4.46Å; V109-Y328 HydrophobicContact CG1-CD2 3.44Å; V109-Y328 VanDerWaalsContact CG1-CD2 3.44Å; V109-Y328 HydrophobicContact CG1-CE2 3.88Å; V109-Y328 HydrophobicContact CG1-CG 3.77Å; L112-Y328 HydrophobicContact CD1-CE2 4.18Å; L112-Y328 WeakPolarHBondContact CD1-OH 3.31Å; S326-Y328 VanDerWaalsContact C-N 3.25Å; S326-Y328 PolarHBondContact OG-N 2.82Å
329	V	97.5	Very high	94.5	Very high	13 Å²	13	72.3 Å²	72.3	8%	0.079	37%	0.374	C	S	.	.	S	Bend	trans	-127.8	152.5	171.2	-56.8	0	0	0	0	110.5	P69 L72 I101 E104 W105 L331	P69-V329 HydrophobicContact CB-CG2 4.01Å; P69-V329 HydrophobicContact CG-CG2 4.3Å; L72-V329 HydrophobicContact CD1-CG1 4.02Å; I101-V329 HydrophobicContact CG2-CB 4.28Å; I101-V329 HydrophobicContact CG2-CG1 4.03Å; E104-V329 WeakPolarHBondContact OE2-CA 3.49Å; W105-V329 HydrophobicContact CB-CG1 3.67Å; W105-V329 HydrophobicContact CG-CG1 4.24Å; V329-L331 HydrophobicContact CG2-CD2 4.4Å
330	S	95.2	Very high	94.9	Very high	81 Å²	81	70 Å²	70	57%	0.566	38%	0.376	S	S	*	.	P	Polyproline II helix	trans	-77.7	133.1	173.2	-64.3	0	0	0	0	110.4	E104	E104-S330 VanDerWaalsContact CD-N 3.31Å; E104-S330 WeakPolarHBondContact OE1-CB 3.39Å; E104-S330 PolarHBondContact OE1-N 2.9Å; E104-S330 VanDerWaalsContact OE1-N 3.12Å; E104-S330 PolarHBondContact OE1-OG 2.81Å; E104-S330 PolarHBondContact OE2-N 2.85Å
331	L	92.9	Very high	95.2	Very high	95 Å²	95	64.9 Å²	64.9	50%	0.497	36%	0.357	S	S	.	.	P	Polyproline II helix	trans	-96.2	139.4	176.8	-61.9	179	0	0	0	110.9	P69 P325 V329 P333	P69-L331 HydrophobicContact CB-CD2 3.66Å; P69-L331 HydrophobicContact CG-CD2 4.14Å; P325-L331 HydrophobicContact CB-CD1 4.08Å; P325-L331 HydrophobicContact CB-CD2 3.83Å; P325-L331 HydrophobicContact CG-CD1 3.64Å; P325-L331 HydrophobicContact CG-CD2 4.32Å; V329-L331 HydrophobicContact CG2-CD2 4.4Å; L331-P333 WeakPolarHBondContact O-CD 3.42Å
332	V	89.3	Confident	95.6	Very high	126 Å²	126	63 Å²	63	76%	0.764	34%	0.341	S	S	*	.	P	Polyproline II helix	trans	-73.3	124.2	169.3	-177	0	0	0	0	108.1
333	P	90.4	Very high	95.9	Very high	73 Å²	73	61.5 Å²	61.5	47%	0.474	33%	0.33	S	S	.	.	P	Polyproline II helix	trans	-61.4	138.1	172.5	-20.4	32.5	0	0	0	110.4	L331 Y335	L331-P333 WeakPolarHBondContact O-CD 3.42Å; P333-Y335 HydrophobicContact CB-CE2 4.29Å; P333-Y335 WeakPolarHBondContact O-CD2 3.37Å; P333-Y335 WeakPolarHBondContact O-CE2 3.37Å
334	K	93	Very high	96.1	Very high	50 Å²	50	61.1 Å²	61.1	22%	0.217	33%	0.328	C	S	.	.	P	Polyproline II helix	trans	-88.1	151.3	170.4	-68.9	-171.5	171.8	-174.9	0	109.9	P336 Y364 E365 E367	K334-P336 WeakPolarHBondContact O-CD 3.49Å; K334-Y364 HydrophobicContact CB-CE1 4.17Å; K334-Y364 HydrophobicContact CB-CE2 3.88Å; K334-Y364 HydrophobicContact CD-CD1 4.33Å; K334-Y364 HydrophobicContact CD-CE1 4.06Å; K334-Y364 VanDerWaalsContact CD-O 3.27Å; K334-Y364 WeakPolarHBondContact CD-O 3.42Å; K334-Y364 HydrophobicContact CG-CE1 4.29Å; K334-Y364 PolarHBondContact N-OH 2.86Å; K334-E365 PolarHBondContact NZ-O 3.09Å; K334-E365 IonicContact NZ-OE2 2.69Å; K334-E365 PolarHBondContact NZ-OE2 2.81Å; K334-E367 VanDerWaalsContact CA-OE1 3.28Å; K334-E367 WeakPolarHBondContact CA-OE1 3.45Å; K334-E367 HydrophobicContact CB-CG 4.02Å; K334-E367 WeakPolarHBondContact CB-OE1 3.33Å; K334-E367 HydrophobicContact CD-CG 4.04Å; K334-E367 HydrophobicContact CG-CG 4.19Å
335	Y	94.9	Very high	96.3	Very high	172 Å²	172	57.2 Å²	57.2	68%	0.675	31%	0.31	S	S	*	.			trans	-123.1	82.8	-178.4	-60.8	-84.5	0	0	0	109.4	P333 E367	P333-Y335 HydrophobicContact CB-CE2 4.29Å; P333-Y335 WeakPolarHBondContact O-CD2 3.37Å; P333-Y335 WeakPolarHBondContact O-CE2 3.37Å; Y335-E367 PolarHBondContact N-OE1 3.03Å
336	P	97.1	Very high	96.4	Very high	47 Å²	47	55.9 Å²	55.9	31%	0.305	30%	0.301	S	S	.	.			trans	-59.4	139.8	-179.8	-22.3	33.7	0	0	0	112.4	K334 Y364 E367 E369	K334-P336 WeakPolarHBondContact O-CD 3.49Å; P336-Y364 HydrophobicContact CG-CD2 3.93Å; P336-Y364 HydrophobicContact CG-CE2 4.35Å; P336-E367 WeakPolarHBondContact CA-O 3.27Å; P336-E369 HydrophobicContact CB-CB 4.02Å
337	D	97.6	Very high	96.4	Very high	67 Å²	67	56.2 Å²	56.2	36%	0.358	30%	0.303	S	S	.	.	B	Isolated β-bridge	trans	-129.6	168.8	175.6	67.4	54.2	0	0	0	111.5	M339 E367 I368 E369 K446	D337-M339 VanDerWaalsContact C-N 3.35Å; D337-M339 WeakPolarHBondContact OD1-CA 3.22Å; D337-M339 PolarHBondContact OD1-N 3.03Å; D337-E367 PolarHBondContact N-O 3.43Å; D337-E367 VanDerWaalsContact N-O 3.09Å; D337-I368 WeakPolarHBondContact O-CA 3.49Å; D337-E369 PolarHBondContact O-N 3.19Å; D337-K446 IonicContact OD1-NZ 2.72Å; D337-K446 PolarHBondContact OD1-NZ 2.89Å; D337-K446 IonicContact OD2-NZ 2.86Å; D337-K446 PolarHBondContact OD2-NZ 2.72Å
338	K	98.2	Very high	96.4	Very high	50 Å²	50	48.6 Å²	48.6	22%	0.217	27%	0.27	C	S	.	.			trans	-90.5	15.1	178.6	-54.3	-168	-171	-169.3	0	114.3	G340 F341 D342 E343 I344 E369	K338-G340 PolarHBondContact O-N 2.84Å; K338-F341 VanDerWaalsContact CB-O 3.24Å; K338-F341 WeakPolarHBondContact CB-O 3.5Å; K338-F341 WeakPolarHBondContact O-CB 3.37Å; K338-F341 VanDerWaalsContact O-CD2 3.27Å; K338-F341 WeakPolarHBondContact O-CD2 3.26Å; K338-F341 PolarHBondContact O-N 2.85Å; K338-D342 WeakPolarHBondContact CD-O 3.19Å; K338-D342 PolarHBondContact NZ-O 2.83Å; K338-E343 WeakPolarHBondContact CE-OE1 3.36Å; K338-E343 VanDerWaalsContact NZ-CD 3.28Å; K338-E343 IonicContact NZ-OE1 3.8Å; K338-E343 PolarHBondContact NZ-OE1 3.12Å; K338-E343 IonicContact NZ-OE2 3.98Å; K338-E343 PolarHBondContact NZ-OE2 3.46Å; K338-I344 HydrophobicContact CB-CD1 4.3Å; K338-I344 HydrophobicContact CB-CG1 4.31Å; K338-E369 VanDerWaalsContact CE-OE2 3.25Å; K338-E369 WeakPolarHBondContact CE-OE2 3.47Å; K338-E369 HydrophobicContact CG-CB 4.11Å; K338-E369 WeakPolarHBondContact CG-OE2 3.43Å
339	M	96.8	Very high	96.4	Very high	16 Å²	16	46.8 Å²	46.8	8%	0.079	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	52.6	20.5	177.5	-51	-175.9	-76.1	0	0	116.1	D337 F341 I344 I368 L433 F445 K446 L449 M450	D337-M339 VanDerWaalsContact C-N 3.35Å; D337-M339 WeakPolarHBondContact OD1-CA 3.22Å; D337-M339 PolarHBondContact OD1-N 3.03Å; M339-F341 HydrophobicContact CB-CD2 4.01Å; M339-F341 HydrophobicContact CB-CE2 4.09Å; M339-F341 HydrophobicContact CE-CD2 4.36Å; M339-F341 HydrophobicContact CE-CE2 4.15Å; M339-I344 HydrophobicContact CE-CD1 3.58Å; M339-I368 HydrophobicContact CE-CD1 4.07Å; M339-I368 HydrophobicContact CE-CG1 4.22Å; M339-I368 HydrophobicContact CE-CG2 3.98Å; M339-I368 HydrophobicContact SD-CD1 3.99Å; M339-I368 HydrophobicContact SD-CG1 3.97Å; M339-L433 HydrophobicContact CE-CD2 3.65Å; M339-F445 HydrophobicContact CE-CE1 4.25Å; M339-K446 HydrophobicContact CG-CD 4.04Å; M339-K446 HydrophobicContact CG-CG 4.06Å; M339-K446 HydrophobicContact SD-CB 3.93Å; M339-K446 HydrophobicContact SD-CD 3.99Å; M339-K446 HydrophobicContact SD-CG 3.6Å; M339-L449 HydrophobicContact CE-CD2 4.05Å; M339-M450 HydrophobicContact CB-CG 4.02Å; M339-M450 HydrophobicContact CB-SD 4.24Å; M339-M450 HydrophobicContact CG-SD 4.45Å
340	G	96.4	Very high	96.3	Very high	61 Å²	61	52 Å²	52	63%	0.629	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.6	11.4	-173.5	0	0	0	0	0	115.6	K338 K431	K338-G340 PolarHBondContact O-N 2.84Å; G340-K431 VanDerWaalsContact O-CE 3.28Å; G340-K431 WeakPolarHBondContact O-CE 3.5Å
341	F	98.6	Very high	96.3	Very high	10 Å²	10	52.5 Å²	52.5	4%	0.044	28%	0.275	C	S	.	.			trans	-88.1	150.1	163.2	-59.3	-82.4	0	0	0	110.1	K338 M339 E343 I344 K431 L433 L449 M453 V501	K338-F341 VanDerWaalsContact CB-O 3.24Å; K338-F341 WeakPolarHBondContact CB-O 3.5Å; K338-F341 WeakPolarHBondContact O-CB 3.37Å; K338-F341 VanDerWaalsContact O-CD2 3.27Å; K338-F341 WeakPolarHBondContact O-CD2 3.26Å; K338-F341 PolarHBondContact O-N 2.85Å; M339-F341 HydrophobicContact CB-CD2 4.01Å; M339-F341 HydrophobicContact CB-CE2 4.09Å; M339-F341 HydrophobicContact CE-CD2 4.36Å; M339-F341 HydrophobicContact CE-CE2 4.15Å; F341-E343 VanDerWaalsContact C-N 3.34Å; F341-I344 HydrophobicContact CB-CG1 4.13Å; F341-I344 HydrophobicContact CD2-CD1 4.25Å; F341-I344 HydrophobicContact CD2-CG1 4.32Å; F341-I344 HydrophobicContact CG-CG1 4.49Å; F341-K431 WeakPolarHBondContact CA-O 3.49Å; F341-K431 WeakPolarHBondContact CB-O 3.32Å; F341-K431 HydrophobicContact CD1-CD 4.41Å; F341-K431 HydrophobicContact CD1-CG 3.61Å; F341-K431 HydrophobicContact CE1-CD 4.38Å; F341-K431 HydrophobicContact CE1-CG 3.91Å; F341-L433 HydrophobicContact CD1-CB 3.9Å; F341-L433 HydrophobicContact CD2-CB 4.09Å; F341-L433 HydrophobicContact CD2-CD2 4.39Å; F341-L433 HydrophobicContact CE1-CB 4.1Å; F341-L433 HydrophobicContact CE2-CB 4.27Å; F341-L433 HydrophobicContact CE2-CD2 4.17Å; F341-L433 HydrophobicContact CG-CB 3.95Å; F341-L433 HydrophobicContact CZ-CB 4.29Å; F341-L449 HydrophobicContact CE2-CD2 3.9Å; F341-L449 HydrophobicContact CE2-CG 4.29Å; F341-L449 HydrophobicContact CZ-CD1 4.39Å; F341-L449 HydrophobicContact CZ-CD2 3.97Å; F341-L449 HydrophobicContact CZ-CG 4.13Å; F341-M453 HydrophobicContact CE1-CG 4.38Å; F341-M453 HydrophobicContact CZ-CG 3.92Å; F341-V501 HydrophobicContact CD1-CG1 4.26Å; F341-V501 HydrophobicContact CE1-CB 4.37Å; F341-V501 HydrophobicContact CE1-CG1 3.62Å; F341-V501 HydrophobicContact CE1-CG2 3.77Å; F341-V501 HydrophobicContact CZ-CG2 4.03Å
342	D	98.6	Very high	96.3	Very high	72 Å²	72	49.4 Å²	49.4	39%	0.385	26%	0.257	S	S	.	.	S	Bend	trans	-70.3	-36.7	175.8	-55.6	-57.1	0	0	0	111.2	K338 L429 E430 K431	K338-D342 WeakPolarHBondContact CD-O 3.19Å; K338-D342 PolarHBondContact NZ-O 2.83Å; D342-L429 HydrophobicContact CB-CB 4.24Å; D342-L429 HydrophobicContact CB-CD2 3.92Å; D342-E430 PolarHBondContact OD2-N 3.32Å; D342-K431 PolarHBondContact N-O 2.96Å; D342-K431 PolarHBondContact OD2-N 3.42Å
343	E	98.7	Very high	96.6	Very high	13 Å²	13	49.3 Å²	49.3	6%	0.061	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	146.5	173.2	-159.4	64.5	-90.6	0	0	111.3	K338 F341 F345 K371 R427 L429 L433	K338-E343 WeakPolarHBondContact CE-OE1 3.36Å; K338-E343 VanDerWaalsContact NZ-CD 3.28Å; K338-E343 IonicContact NZ-OE1 3.8Å; K338-E343 PolarHBondContact NZ-OE1 3.12Å; K338-E343 IonicContact NZ-OE2 3.98Å; K338-E343 PolarHBondContact NZ-OE2 3.46Å; F341-E343 VanDerWaalsContact C-N 3.34Å; E343-F345 HydrophobicContact CB-CD2 4.26Å; E343-F345 HydrophobicContact CB-CE2 3.74Å; E343-F345 HydrophobicContact CB-CZ 4.03Å; E343-F345 HydrophobicContact CG-CD1 4.12Å; E343-F345 HydrophobicContact CG-CD2 4.01Å; E343-F345 HydrophobicContact CG-CE1 3.76Å; E343-F345 HydrophobicContact CG-CE2 3.6Å; E343-F345 HydrophobicContact CG-CG 4.27Å; E343-F345 HydrophobicContact CG-CZ 3.5Å; E343-K371 HydrophobicContact CG-CB 4.27Å; E343-R427 IonicContact OE2-CZ 3.79Å; E343-R427 VanDerWaalsContact OE2-CZ 3.27Å; E343-R427 IonicContact OE2-NH1 3.01Å; E343-R427 PolarHBondContact OE2-NH1 3.27Å; E343-R427 IonicContact OE2-NH2 3.36Å; E343-R427 PolarHBondContact OE2-NH2 3.37Å; E343-L429 HydrophobicContact CB-CD1 3.75Å; E343-L433 PolarHBondContact O-N 3.34Å; E343-L433 VanDerWaalsContact O-N 3.12Å
344	I	98.8	Very high	96.8	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	120.2	167.3	-54.5	-176.5	0	0	0	106.9	K338 M339 F341 I368 E369 V370 K371 L433	K338-I344 HydrophobicContact CB-CD1 4.3Å; K338-I344 HydrophobicContact CB-CG1 4.31Å; M339-I344 HydrophobicContact CE-CD1 3.58Å; F341-I344 HydrophobicContact CB-CG1 4.13Å; F341-I344 HydrophobicContact CD2-CD1 4.25Å; F341-I344 HydrophobicContact CD2-CG1 4.32Å; F341-I344 HydrophobicContact CG-CG1 4.49Å; I344-I368 HydrophobicContact CD1-CG2 3.67Å; I344-E369 WeakPolarHBondContact CB-O 3.33Å; I344-V370 HydrophobicContact CG2-CG2 4.05Å; I344-V370 WeakPolarHBondContact O-CG2 3.4Å; I344-K371 PolarHBondContact O-N 2.86Å; I344-L433 CarbonylContact C-O 3.56Å; I344-L433 WeakPolarHBondContact CA-O 3.27Å; I344-L433 HydrophobicContact CB-CB 4.5Å; I344-L433 HydrophobicContact CD1-CD2 4.19Å; I344-L433 HydrophobicContact CG1-CB 4.18Å; I344-L433 HydrophobicContact CG1-CD2 4.34Å; I344-L433 HydrophobicContact CG2-CB 4.19Å; I344-L433 HydrophobicContact CG2-CD2 3.86Å; I344-L433 HydrophobicContact CG2-CG 3.99Å
345	F	98.8	Very high	96.8	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	130.6	179.7	-65.3	-79.9	0	0	0	111.5	E343 K371 V373 V420 E423 V424 L429 T432 L433 V434 I435	E343-F345 HydrophobicContact CB-CD2 4.26Å; E343-F345 HydrophobicContact CB-CE2 3.74Å; E343-F345 HydrophobicContact CB-CZ 4.03Å; E343-F345 HydrophobicContact CG-CD1 4.12Å; E343-F345 HydrophobicContact CG-CD2 4.01Å; E343-F345 HydrophobicContact CG-CE1 3.76Å; E343-F345 HydrophobicContact CG-CE2 3.6Å; E343-F345 HydrophobicContact CG-CG 4.27Å; E343-F345 HydrophobicContact CG-CZ 3.5Å; F345-K371 WeakPolarHBondContact CA-O 3.48Å; F345-K371 HydrophobicContact CD1-CB 4.17Å; F345-K371 HydrophobicContact CD1-CD 4.17Å; F345-K371 HydrophobicContact CD1-CG 4.16Å; F345-K371 HydrophobicContact CE1-CB 4.5Å; F345-K371 HydrophobicContact CE1-CD 3.76Å; F345-K371 HydrophobicContact CE1-CG 4.27Å; F345-V373 HydrophobicContact CB-CG2 3.92Å; F345-V373 HydrophobicContact CD1-CG2 3.4Å; F345-V373 HydrophobicContact CE1-CG2 4.23Å; F345-V373 HydrophobicContact CG-CG2 4.04Å; F345-V420 HydrophobicContact CB-CG1 4.26Å; F345-V420 HydrophobicContact CD2-CG1 3.52Å; F345-V420 HydrophobicContact CE2-CG1 3.84Å; F345-V420 HydrophobicContact CG-CG1 3.89Å; F345-V420 HydrophobicContact CZ-CG1 4.45Å; F345-E423 WeakPolarHBondContact CE1-OE1 3.11Å; F345-E423 HydrophobicContact CZ-CB 4.49Å; F345-E423 HydrophobicContact CZ-CG 4.15Å; F345-E423 WeakPolarHBondContact CZ-OE1 3.48Å; F345-V424 HydrophobicContact CE2-CG2 4.23Å; F345-L429 HydrophobicContact CE2-CD1 4.09Å; F345-L429 HydrophobicContact CZ-CD1 4.16Å; F345-T432 HydrophobicContact CD2-CG2 3.42Å; F345-T432 VanDerWaalsContact CD2-CG2 3.42Å; F345-T432 HydrophobicContact CE2-CG2 3.53Å; F345-L433 PolarHBondContact N-O 3.29Å; F345-V434 WeakPolarHBondContact O-CA 3.23Å; F345-I435 WeakPolarHBondContact O-CG1 3.34Å; F345-I435 PolarHBondContact O-N 2.68Å
346	M	98.4	Very high	96.9	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	116.6	165.1	177.5	-171.9	72.2	0	0	109.8	N348 R356 M359 L360 L363 V370 K371 I372 V373 I435	M346-N348 HydrophobicContact CE-CB 4.25Å; M346-R356 HydrophobicContact CE-CG 3.93Å; M346-M359 HydrophobicContact SD-CB 3.42Å; M346-M359 WeakPolarHBondContact SD-CB 3.44Å; M346-M359 HydrophobicContact SD-CE 4.36Å; M346-M359 HydrophobicContact SD-CG 4.15Å; M346-L360 HydrophobicContact CE-CD2 4.1Å; M346-L360 HydrophobicContact CE-CG 4.29Å; M346-L363 HydrophobicContact SD-CD1 4.3Å; M346-V370 HydrophobicContact CB-CG2 3.54Å; M346-K371 PolarHBondContact N-O 2.95Å; M346-I372 HydrophobicContact CE-CD1 4.33Å; M346-I372 HydrophobicContact CE-CG1 4.06Å; M346-I372 HydrophobicContact CE-CG2 4.01Å; M346-V373 PolarHBondContact O-N 3.46Å; M346-I435 WeakPolarHBondContact CA-O 3.43Å; M346-I435 HydrophobicContact CB-CD1 4.41Å; M346-I435 HydrophobicContact CB-CG1 4.07Å; M346-I435 HydrophobicContact CG-CG1 4.43Å
347	I	98.4	Very high	96.9	Very high	12 Å²	12	45.6 Å²	45.6	6%	0.062	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	118.5	175.6	-60.3	-177.5	0	0	0	108.6	V373 A375 H417 V420 V434 I435 D437	I347-V373 HydrophobicContact CG1-CB 4.35Å; I347-A375 HydrophobicContact CG2-CB 3.6Å; I347-H417 WeakPolarHBondContact CD1-ND1 3.41Å; I347-V420 HydrophobicContact CD1-CG2 4.05Å; I347-V420 HydrophobicContact CG1-CG2 4.2Å; I347-V434 HydrophobicContact CD1-CG1 3.83Å; I347-V434 HydrophobicContact CG1-CG1 4.17Å; I347-I435 PolarHBondContact N-O 2.64Å; I347-D437 PolarHBondContact O-N 3.21Å
348	N	97.8	Very high	96.8	Very high	2 Å²	2	44 Å²	44	1%	0.011	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	133	-179.9	166.8	-111.5	0	0	0	111.3	M346 K350 R352 R356 I372 V373 A375 D437	M346-N348 HydrophobicContact CE-CB 4.25Å; N348-K350 PolarHBondContact O-N 2.78Å; N348-R352 PolarHBondContact ND2-O 3.02Å; N348-R356 WeakPolarHBondContact OD1-CD 3.42Å; N348-I372 HydrophobicContact CB-CG2 4.31Å; N348-V373 PolarHBondContact N-O 2.76Å; N348-A375 WeakPolarHBondContact O-CB 3.5Å; N348-A375 PolarHBondContact O-N 2.87Å; N348-D437 HydrophobicContact CB-CB 4.14Å; N348-D437 PolarHBondContact ND2-OD2 2.93Å
349	L	96.5	Very high	96.8	Very high	22 Å²	22	41.7 Å²	41.7	12%	0.115	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	127.2	171.6	-72.5	161.6	0	0	0	109.8	R351 R352 A375 D377 D571	L349-R351 HydrophobicContact CB-CG 4.41Å; L349-R351 PolarHBondContact O-N 3.13Å; L349-R352 HydrophobicContact CB-CB 4.32Å; L349-R352 HydrophobicContact CB-CG 3.98Å; L349-R352 HydrophobicContact CD1-CG 4.37Å; L349-R352 PolarHBondContact O-N 3.06Å; L349-A375 HydrophobicContact CD2-CB 3.84Å; L349-A375 HydrophobicContact CG-CB 3.97Å; L349-D377 HydrophobicContact CD2-CB 4.24Å; L349-D571 HydrophobicContact CD1-CB 3.79Å
350	K	95.8	Very high	96.8	Very high	124 Å²	124	43.8 Å²	43.8	54%	0.539	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-47.2	-33.3	-177.4	-157.4	-158.6	-157.1	79	0	114.5	N348 E374	N348-K350 PolarHBondContact O-N 2.78Å; K350-E374 HydrophobicContact CB-CG 3.98Å; K350-E374 VanDerWaalsContact CD-OE1 3.28Å; K350-E374 WeakPolarHBondContact CD-OE1 3.38Å; K350-E374 HydrophobicContact CG-CG 4.33Å; K350-E374 IonicContact NZ-OE1 2.71Å; K350-E374 PolarHBondContact NZ-OE1 3.12Å; K350-E374 IonicContact NZ-OE2 3.57Å; K350-E374 PolarHBondContact NZ-OE2 3.03Å
351	R	94.7	Very high	96.8	Very high	90 Å²	90	43.7 Å²	43.7	34%	0.34	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-26.7	178.7	70.8	174.2	-174.5	-81.2	2.2	114.2	L349 K353 D377 D571	L349-R351 HydrophobicContact CB-CG 4.41Å; L349-R351 PolarHBondContact O-N 3.13Å; R351-K353 PolarHBondContact O-N 2.8Å; R351-D377 IonicContact CZ-OD1 3.49Å; R351-D377 IonicContact CZ-OD2 2.6Å; R351-D377 IonicContact NH1-OD1 3.53Å; R351-D377 PolarHBondContact NH1-OD1 2.85Å; R351-D377 IonicContact NH1-OD2 2.66Å; R351-D377 PolarHBondContact NH1-OD2 3.36Å; R351-D377 IonicContact NH2-OD1 2.76Å; R351-D571 IonicContact CZ-OD1 3.3Å; R351-D571 IonicContact NE-OD1 3Å; R351-D571 IonicContact NH2-OD1 2.84Å; R351-D571 PolarHBondContact NH2-OD1 3.33Å; R351-D571 IonicContact NH2-OD2 2.91Å
352	R	94.5	Very high	96.7	Very high	30 Å²	30	43.3 Å²	43.3	11%	0.113	20%	0.197	C	C	.	.			trans	-84.1	61	-178.5	-64	-54.1	-59.8	-100.7	7.9	111.4	N348 L349 D354 R355 R356 D571	N348-R352 PolarHBondContact ND2-O 3.02Å; L349-R352 HydrophobicContact CB-CB 4.32Å; L349-R352 HydrophobicContact CB-CG 3.98Å; L349-R352 HydrophobicContact CD1-CG 4.37Å; L349-R352 PolarHBondContact O-N 3.06Å; R352-D354 VanDerWaalsContact C-N 3.25Å; R352-D354 WeakPolarHBondContact CA-OD1 3.48Å; R352-D354 IonicContact CZ-OD1 2.73Å; R352-D354 IonicContact CZ-OD2 3.76Å; R352-D354 IonicContact NE-OD1 3.85Å; R352-D354 PolarHBondContact NE-OD1 3.47Å; R352-D354 IonicContact NE-OD2 2.81Å; R352-D354 PolarHBondContact NE-OD2 2.89Å; R352-D354 IonicContact NH2-OD1 3.99Å; R352-D354 IonicContact NH2-OD2 2.95Å; R352-D354 PolarHBondContact NH2-OD2 3.14Å; R352-D354 PolarHBondContact O-N 2.71Å; R352-R355 HydrophobicContact CB-CB 4.23Å; R352-R355 HydrophobicContact CB-CG 4.25Å; R352-R355 VanDerWaalsContact NH2-NE 3.13Å; R352-R355 PolarHBondContact O-N 2.63Å; R352-R356 PolarHBondContact O-N 2.72Å; R352-R356 VanDerWaalsContact O-N 3.11Å; R352-D571 WeakPolarHBondContact CD-OD2 3.46Å; R352-D571 IonicContact CZ-OD2 3.15Å; R352-D571 IonicContact NE-OD2 2.72Å; R352-D571 IonicContact NH1-OD2 2.71Å; R352-D571 PolarHBondContact NH1-OD2 3.44Å
353	K	95.5	Very high	96.6	Very high	124 Å²	124	40 Å²	40	54%	0.539	18%	0.179	S	C	.	.	H	α-helix	trans	-62.2	-36.4	175.4	-61.1	-168.5	179.1	-179.4	0	111.7	R351 R355 R356 D357	R351-K353 PolarHBondContact O-N 2.8Å; K353-R355 VanDerWaalsContact C-N 3.33Å; K353-R355 PolarHBondContact O-N 2.76Å; K353-R356 PolarHBondContact O-N 3.34Å; K353-D357 WeakPolarHBondContact O-CB 3.42Å; K353-D357 PolarHBondContact O-N 2.81Å
354	D	93.1	Very high	96.5	Very high	92 Å²	92	44.3 Å²	44.3	49%	0.492	20%	0.195	S	C	.	.	H	α-helix	trans	-50.8	-49.9	173.5	60.1	-47.8	0	0	0	112.4	R352 R358	R352-D354 VanDerWaalsContact C-N 3.25Å; R352-D354 WeakPolarHBondContact CA-OD1 3.48Å; R352-D354 IonicContact CZ-OD1 2.73Å; R352-D354 IonicContact CZ-OD2 3.76Å; R352-D354 IonicContact NE-OD1 3.85Å; R352-D354 PolarHBondContact NE-OD1 3.47Å; R352-D354 IonicContact NE-OD2 2.81Å; R352-D354 PolarHBondContact NE-OD2 2.89Å; R352-D354 IonicContact NH2-OD1 3.99Å; R352-D354 IonicContact NH2-OD2 2.95Å; R352-D354 PolarHBondContact NH2-OD2 3.14Å; R352-D354 PolarHBondContact O-N 2.71Å; D354-R358 WeakPolarHBondContact O-CB 3.15Å; D354-R358 PolarHBondContact O-N 2.8Å
355	R	94.5	Very high	96.4	Very high	27 Å²	27	45 Å²	45	10%	0.102	20%	0.198	C	C	.	.	H	α-helix	trans	-71.4	-43.6	178.8	-64.1	-170.7	175.4	-171.6	-9.5	112.1	R352 K353 M359 D437 D438 L569	R352-R355 HydrophobicContact CB-CB 4.23Å; R352-R355 HydrophobicContact CB-CG 4.25Å; R352-R355 VanDerWaalsContact NH2-NE 3.13Å; R352-R355 PolarHBondContact O-N 2.63Å; K353-R355 VanDerWaalsContact C-N 3.33Å; K353-R355 PolarHBondContact O-N 2.76Å; R355-M359 WeakPolarHBondContact O-CB 3.24Å; R355-M359 WeakPolarHBondContact O-CG 3.36Å; R355-M359 PolarHBondContact O-N 2.72Å; R355-D437 HydrophobicContact CB-CB 3.98Å; R355-D437 VanDerWaalsContact CD-CG 3.41Å; R355-D437 WeakPolarHBondContact CD-OD1 3.24Å; R355-D437 IonicContact CZ-OD1 2.65Å; R355-D437 IonicContact NE-OD1 3.9Å; R355-D437 IonicContact NH1-OD1 2.74Å; R355-D437 PolarHBondContact NH1-OD1 2.85Å; R355-D438 IonicContact CZ-OD2 3.25Å; R355-D438 IonicContact NH1-OD2 3.76Å; R355-D438 PolarHBondContact NH1-OD2 3.37Å; R355-D438 IonicContact NH2-OD2 2.91Å; R355-D438 PolarHBondContact NH2-OD2 3.37Å; R355-L569 PolarHBondContact NH2-O 3.45Å
356	R	96.6	Very high	96.2	Very high	54 Å²	54	46 Å²	46	20%	0.204	20%	0.203	C	C	.	.	H	α-helix	trans	-60.2	-50.9	-179.9	-173.1	176.4	59.4	-149.3	12.5	112.3	M346 N348 R352 K353 R358 M359 L360 I372	M346-R356 HydrophobicContact CE-CG 3.93Å; N348-R356 WeakPolarHBondContact OD1-CD 3.42Å; R352-R356 PolarHBondContact O-N 2.72Å; R352-R356 VanDerWaalsContact O-N 3.11Å; K353-R356 PolarHBondContact O-N 3.34Å; R356-R358 VanDerWaalsContact C-N 3.3Å; R356-R358 PolarHBondContact O-N 2.98Å; R356-M359 PolarHBondContact O-N 3.18Å; R356-M359 VanDerWaalsContact O-N 3.15Å; R356-L360 HydrophobicContact CG-CD1 3.81Å; R356-L360 HydrophobicContact CG-CG 4.14Å; R356-L360 WeakPolarHBondContact O-CB 3.43Å; R356-L360 WeakPolarHBondContact O-CG 3.26Å; R356-L360 PolarHBondContact O-N 3.45Å; R356-I372 HydrophobicContact CG-CD1 4.33Å
357	D	96.3	Very high	96.1	Very high	91 Å²	91	49.4 Å²	49.4	49%	0.487	22%	0.219	S	C	.	.	H	α-helix	trans	-68.7	-35	-172.4	-59.1	-11	0	0	0	109.8	K353 R361	K353-D357 WeakPolarHBondContact O-CB 3.42Å; K353-D357 PolarHBondContact O-N 2.81Å; D357-R361 PolarHBondContact O-N 2.98Å
358	R	96	Very high	96.1	Very high	35 Å²	35	49 Å²	49	13%	0.132	22%	0.217	C	C	.	.	H	α-helix	trans	-59.6	-53.2	166.7	-177.6	-165.4	70.8	102.1	-0.1	111.9	M317 D354 R356 R361 T362 D437 V439 T560	M317-R358 HydrophobicContact CB-CG 4.4Å; M317-R358 VanDerWaalsContact O-CD 3.26Å; M317-R358 WeakPolarHBondContact O-CD 2.98Å; M317-R358 WeakPolarHBondContact O-CG 3.37Å; D354-R358 WeakPolarHBondContact O-CB 3.15Å; D354-R358 PolarHBondContact O-N 2.8Å; R356-R358 VanDerWaalsContact C-N 3.3Å; R356-R358 PolarHBondContact O-N 2.98Å; R358-R361 PolarHBondContact O-N 3.03Å; R358-T362 WeakPolarHBondContact O-CB 2.97Å; R358-T362 PolarHBondContact O-N 2.92Å; R358-T362 PolarHBondContact O-OG1 2.84Å; R358-D437 PolarHBondContact NH2-O 3.37Å; R358-V439 VanDerWaalsContact CZ-O 3.32Å; R358-V439 PolarHBondContact NH1-O 2.93Å; R358-V439 PolarHBondContact NH2-O 3.29Å; R358-T560 VanDerWaalsContact NH1-CG2 3.27Å
359	M	97.3	Very high	96.2	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-66.6	-41.5	-175.3	-79.3	-66.5	-70.1	0	0	113.2	M346 R355 R356 R361 T362 L363 I435 D437 V439 F441	M346-M359 HydrophobicContact SD-CB 3.42Å; M346-M359 WeakPolarHBondContact SD-CB 3.44Å; M346-M359 HydrophobicContact SD-CE 4.36Å; M346-M359 HydrophobicContact SD-CG 4.15Å; R355-M359 WeakPolarHBondContact O-CB 3.24Å; R355-M359 WeakPolarHBondContact O-CG 3.36Å; R355-M359 PolarHBondContact O-N 2.72Å; R356-M359 PolarHBondContact O-N 3.18Å; R356-M359 VanDerWaalsContact O-N 3.15Å; M359-R361 VanDerWaalsContact C-N 3.26Å; M359-R361 PolarHBondContact O-N 3.15Å; M359-T362 PolarHBondContact O-N 2.72Å; M359-L363 HydrophobicContact CE-CD1 4.35Å; M359-L363 WeakPolarHBondContact O-CB 3.48Å; M359-L363 VanDerWaalsContact O-CG 3.29Å; M359-L363 WeakPolarHBondContact O-CG 3.46Å; M359-L363 PolarHBondContact O-N 3.43Å; M359-I435 HydrophobicContact CE-CD1 4.03Å; M359-D437 WeakPolarHBondContact CG-O 3.48Å; M359-V439 HydrophobicContact CE-CG2 3.57Å; M359-V439 HydrophobicContact SD-CG2 4.03Å; M359-F441 HydrophobicContact CE-CE2 3.81Å; M359-F441 HydrophobicContact CE-CZ 3.78Å; M359-F441 HydrophobicContact SD-CE2 4.05Å
360	L	97.4	Very high	96.2	Very high	61 Å²	61	53.7 Å²	53.7	32%	0.319	24%	0.24	S	C	.	.	H	α-helix	trans	-59.5	-39.8	174.7	-70.6	175.7	0	0	0	111.2	M346 R356 Y364 V370 I372	M346-L360 HydrophobicContact CE-CD2 4.1Å; M346-L360 HydrophobicContact CE-CG 4.29Å; R356-L360 HydrophobicContact CG-CD1 3.81Å; R356-L360 HydrophobicContact CG-CG 4.14Å; R356-L360 WeakPolarHBondContact O-CB 3.43Å; R356-L360 WeakPolarHBondContact O-CG 3.26Å; R356-L360 PolarHBondContact O-N 3.45Å; L360-Y364 VanDerWaalsContact O-CB 3.26Å; L360-Y364 WeakPolarHBondContact O-CB 3.48Å; L360-Y364 PolarHBondContact O-N 2.78Å; L360-V370 HydrophobicContact CD2-CG1 3.86Å; L360-I372 HydrophobicContact CD1-CD1 3.84Å; L360-I372 HydrophobicContact CD2-CD1 3.84Å; L360-I372 HydrophobicContact CD2-CG1 4.16Å; L360-I372 HydrophobicContact CG-CD1 4.31Å
361	R	96.3	Very high	96.3	Very high	59 Å²	59	51.2 Å²	51.2	22%	0.223	23%	0.23	C	C	.	.	H	α-helix	trans	-66.8	-48.2	173.3	-166	165	-174.1	160	-1.8	111.6	M317 P322 E324 D357 R358 M359 L363 Y364 E365	M317-R361 HydrophobicContact CE-CG 4.18Å; M317-R361 HydrophobicContact SD-CB 4.24Å; M317-R361 HydrophobicContact SD-CG 3.84Å; P322-R361 VanDerWaalsContact CB-NH1 3.28Å; E324-R361 VanDerWaalsContact CD-NH1 3.32Å; E324-R361 IonicContact OE1-CZ 3.54Å; E324-R361 IonicContact OE1-NH1 2.71Å; E324-R361 PolarHBondContact OE1-NH1 3.02Å; E324-R361 IonicContact OE1-NH2 3.43Å; E324-R361 IonicContact OE2-CZ 3.34Å; E324-R361 IonicContact OE2-NH1 3.89Å; E324-R361 PolarHBondContact OE2-NH1 3.24Å; E324-R361 IonicContact OE2-NH2 2.81Å; E324-R361 PolarHBondContact OE2-NH2 3.5Å; D357-R361 PolarHBondContact O-N 2.98Å; R358-R361 PolarHBondContact O-N 3.03Å; M359-R361 VanDerWaalsContact C-N 3.26Å; M359-R361 PolarHBondContact O-N 3.15Å; R361-L363 VanDerWaalsContact C-N 3.27Å; R361-L363 PolarHBondContact O-N 2.88Å; R361-Y364 PolarHBondContact O-N 2.69Å; R361-E365 HydrophobicContact CG-CG 4.35Å; R361-E365 IonicContact NE-OE1 3.59Å; R361-E365 WeakPolarHBondContact O-CG 3.47Å; R361-E365 PolarHBondContact O-N 2.7Å
362	T	96.9	Very high	96.5	Very high	1 Å²	1	50.3 Å²	50.3	1%	0.006	23%	0.231	C	C	.	.	H	α-helix	trans	-56.6	-36.5	176.6	-71.4	0	0	0	0	113.8	I314 R358 M359 Q366 F441	I314-T362 HydrophobicContact CB-CG2 3.92Å; I314-T362 HydrophobicContact CD1-CG2 4.39Å; I314-T362 HydrophobicContact CG2-CG2 3.85Å; R358-T362 WeakPolarHBondContact O-CB 2.97Å; R358-T362 PolarHBondContact O-N 2.92Å; R358-T362 PolarHBondContact O-OG1 2.84Å; M359-T362 PolarHBondContact O-N 2.72Å; T362-Q366 WeakPolarHBondContact O-CG 3.45Å; T362-Q366 PolarHBondContact O-N 3.48Å; T362-Q366 PolarHBondContact O-NE2 2.68Å; T362-F441 HydrophobicContact CG2-CD2 3.47Å; T362-F441 VanDerWaalsContact CG2-CD2 3.47Å; T362-F441 HydrophobicContact CG2-CE2 3.43Å; T362-F441 VanDerWaalsContact CG2-CE2 3.43Å
363	L	97.4	Very high	96.6	Very high	3 Å²	3	49.7 Å²	49.7	2%	0.016	23%	0.23	C	C	.	.	H	α-helix	trans	-78.1	-41.5	177.5	-68.5	165.7	0	0	0	111.3	M346 M359 R361 E365 Q366 E367 I368 V370 I435 F441	M346-L363 HydrophobicContact SD-CD1 4.3Å; M359-L363 HydrophobicContact CE-CD1 4.35Å; M359-L363 WeakPolarHBondContact O-CB 3.48Å; M359-L363 VanDerWaalsContact O-CG 3.29Å; M359-L363 WeakPolarHBondContact O-CG 3.46Å; M359-L363 PolarHBondContact O-N 3.43Å; R361-L363 VanDerWaalsContact C-N 3.27Å; R361-L363 PolarHBondContact O-N 2.88Å; L363-E365 VanDerWaalsContact C-N 3.35Å; L363-E365 PolarHBondContact O-N 2.72Å; L363-Q366 CarbonylContact O-C 3.52Å; L363-Q366 PolarHBondContact O-N 3.02Å; L363-Q366 VanDerWaalsContact O-N 3.16Å; L363-E367 PolarHBondContact O-N 2.93Å; L363-E367 VanDerWaalsContact O-N 3.09Å; L363-I368 HydrophobicContact CB-CB 4.31Å; L363-I368 HydrophobicContact CD2-CB 4Å; L363-I368 HydrophobicContact CD2-CD1 4.09Å; L363-I368 HydrophobicContact CD2-CG2 3.93Å; L363-I368 PolarHBondContact O-N 3.27Å; L363-V370 HydrophobicContact CD1-CB 4.06Å; L363-V370 HydrophobicContact CD1-CG1 3.75Å; L363-V370 HydrophobicContact CD1-CG2 4.18Å; L363-I435 HydrophobicContact CD1-CD1 3.91Å; L363-I435 HydrophobicContact CD2-CD1 3.96Å; L363-F441 HydrophobicContact CD2-CE1 4.36Å; L363-F441 HydrophobicContact CD2-CE2 4.46Å; L363-F441 HydrophobicContact CD2-CZ 3.8Å
364	Y	96.6	Very high	96.7	Very high	103 Å²	103	49.4 Å²	49.4	40%	0.404	23%	0.231	S	C	.	.	H	α-helix	trans	-59.9	-42	171.8	179	-97.6	0	0	0	112.2	K334 P336 L360 R361 Q366 E367	K334-Y364 HydrophobicContact CB-CE1 4.17Å; K334-Y364 HydrophobicContact CB-CE2 3.88Å; K334-Y364 HydrophobicContact CD-CD1 4.33Å; K334-Y364 HydrophobicContact CD-CE1 4.06Å; K334-Y364 VanDerWaalsContact CD-O 3.27Å; K334-Y364 WeakPolarHBondContact CD-O 3.42Å; K334-Y364 HydrophobicContact CG-CE1 4.29Å; K334-Y364 PolarHBondContact N-OH 2.86Å; P336-Y364 HydrophobicContact CG-CD2 3.93Å; P336-Y364 HydrophobicContact CG-CE2 4.35Å; L360-Y364 VanDerWaalsContact O-CB 3.26Å; L360-Y364 WeakPolarHBondContact O-CB 3.48Å; L360-Y364 PolarHBondContact O-N 2.78Å; R361-Y364 PolarHBondContact O-N 2.69Å; Y364-Q366 PolarHBondContact O-N 2.87Å; Y364-E367 PolarHBondContact O-N 3.07Å
365	E	95.1	Very high	96.9	Very high	14 Å²	14	45.5 Å²	45.5	7%	0.065	21%	0.211	C	C	.	.	H	α-helix	trans	-63	-28	177.5	-68.3	-52.8	158.2	0	0	112.8	I310 I314 M317 K334 R361 L363	I310-E365 WeakPolarHBondContact CD1-O 3.35Å; I310-E365 HydrophobicContact CG2-CB 4.36Å; I314-E365 HydrophobicContact CG2-CB 4.27Å; M317-E365 HydrophobicContact CE-CG 4.37Å; K334-E365 PolarHBondContact NZ-O 3.09Å; K334-E365 IonicContact NZ-OE2 2.69Å; K334-E365 PolarHBondContact NZ-OE2 2.81Å; R361-E365 HydrophobicContact CG-CG 4.35Å; R361-E365 IonicContact NE-OE1 3.59Å; R361-E365 WeakPolarHBondContact O-CG 3.47Å; R361-E365 PolarHBondContact O-N 2.7Å; L363-E365 VanDerWaalsContact C-N 3.35Å; L363-E365 PolarHBondContact O-N 2.72Å
366	Q	95.8	Very high	96.9	Very high	21 Å²	21	46.5 Å²	46.5	10%	0.098	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.4	3	176.1	-68.5	176.6	97.3	0	0	113.8	I310 I314 T362 L363 Y364 I368 K446	I310-Q366 HydrophobicContact CG2-CG 3.71Å; I314-Q366 HydrophobicContact CD1-CG 4.42Å; T362-Q366 WeakPolarHBondContact O-CG 3.45Å; T362-Q366 PolarHBondContact O-N 3.48Å; T362-Q366 PolarHBondContact O-NE2 2.68Å; L363-Q366 CarbonylContact O-C 3.52Å; L363-Q366 PolarHBondContact O-N 3.02Å; L363-Q366 VanDerWaalsContact O-N 3.16Å; Y364-Q366 PolarHBondContact O-N 2.87Å; Q366-I368 HydrophobicContact CB-CD1 3.84Å; Q366-I368 HydrophobicContact CB-CG1 4.05Å; Q366-K446 WeakPolarHBondContact O-CD 3.24Å
367	E	96.8	Very high	96.8	Very high	72 Å²	72	46.1 Å²	46.1	34%	0.336	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.4	47.2	-175.3	-49.6	-162.3	95.8	0	0	113.1	K334 Y335 P336 D337 L363 Y364 K446	K334-E367 VanDerWaalsContact CA-OE1 3.28Å; K334-E367 WeakPolarHBondContact CA-OE1 3.45Å; K334-E367 HydrophobicContact CB-CG 4.02Å; K334-E367 WeakPolarHBondContact CB-OE1 3.33Å; K334-E367 HydrophobicContact CD-CG 4.04Å; K334-E367 HydrophobicContact CG-CG 4.19Å; Y335-E367 PolarHBondContact N-OE1 3.03Å; P336-E367 WeakPolarHBondContact CA-O 3.27Å; D337-E367 PolarHBondContact N-O 3.43Å; D337-E367 VanDerWaalsContact N-O 3.09Å; L363-E367 PolarHBondContact O-N 2.93Å; L363-E367 VanDerWaalsContact O-N 3.09Å; Y364-E367 PolarHBondContact O-N 3.07Å; E367-K446 PolarHBondContact O-NZ 2.89Å
368	I	98.1	Very high	96.5	Very high	5 Å²	5	42 Å²	42	3%	0.026	20%	0.202	C	C	.	.	B	Isolated β-bridge	trans	-111.7	116.5	177	-59.3	171.9	0	0	0	109.4	D337 M339 I344 L363 Q366 F445 K446	D337-I368 WeakPolarHBondContact O-CA 3.49Å; M339-I368 HydrophobicContact CE-CD1 4.07Å; M339-I368 HydrophobicContact CE-CG1 4.22Å; M339-I368 HydrophobicContact CE-CG2 3.98Å; M339-I368 HydrophobicContact SD-CD1 3.99Å; M339-I368 HydrophobicContact SD-CG1 3.97Å; I344-I368 HydrophobicContact CD1-CG2 3.67Å; L363-I368 HydrophobicContact CB-CB 4.31Å; L363-I368 HydrophobicContact CD2-CB 4Å; L363-I368 HydrophobicContact CD2-CD1 4.09Å; L363-I368 HydrophobicContact CD2-CG2 3.93Å; L363-I368 PolarHBondContact O-N 3.27Å; Q366-I368 HydrophobicContact CB-CD1 3.84Å; Q366-I368 HydrophobicContact CB-CG1 4.05Å; I368-F445 HydrophobicContact CD1-CD1 3.84Å; I368-F445 HydrophobicContact CD1-CE1 3.79Å; I368-K446 HydrophobicContact CG1-CD 4.21Å
369	E	98.2	Very high	96.1	Very high	92 Å²	92	44.9 Å²	44.9	43%	0.43	22%	0.215	S	C	.	.			trans	-73.5	142	171	-170.1	-172.2	-179.2	0	0	109.4	P336 D337 K338 I344	P336-E369 HydrophobicContact CB-CB 4.02Å; D337-E369 PolarHBondContact O-N 3.19Å; K338-E369 VanDerWaalsContact CE-OE2 3.25Å; K338-E369 WeakPolarHBondContact CE-OE2 3.47Å; K338-E369 HydrophobicContact CG-CB 4.11Å; K338-E369 WeakPolarHBondContact CG-OE2 3.43Å; I344-E369 WeakPolarHBondContact CB-O 3.33Å
370	V	97.8	Very high	95.7	Very high	29 Å²	29	48 Å²	48	18%	0.176	24%	0.241	C	C	.	.			trans	-146.9	138.5	-178	71.1	0	0	0	0	112.3	I344 M346 L360 L363	I344-V370 HydrophobicContact CG2-CG2 4.05Å; I344-V370 WeakPolarHBondContact O-CG2 3.4Å; M346-V370 HydrophobicContact CB-CG2 3.54Å; L360-V370 HydrophobicContact CD2-CG1 3.86Å; L363-V370 HydrophobicContact CD1-CB 4.06Å; L363-V370 HydrophobicContact CD1-CG1 3.75Å; L363-V370 HydrophobicContact CD1-CG2 4.18Å
371	K	98.3	Very high	95.3	Very high	72 Å²	72	46 Å²	46	31%	0.313	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	125.9	166	177.7	170.4	164.4	-177.1	0	109.8	E343 I344 F345 M346 E423	E343-K371 HydrophobicContact CG-CB 4.27Å; I344-K371 PolarHBondContact O-N 2.86Å; F345-K371 WeakPolarHBondContact CA-O 3.48Å; F345-K371 HydrophobicContact CD1-CB 4.17Å; F345-K371 HydrophobicContact CD1-CD 4.17Å; F345-K371 HydrophobicContact CD1-CG 4.16Å; F345-K371 HydrophobicContact CE1-CB 4.5Å; F345-K371 HydrophobicContact CE1-CD 3.76Å; F345-K371 HydrophobicContact CE1-CG 4.27Å; M346-K371 PolarHBondContact N-O 2.95Å; K371-E423 IonicContact NZ-OE1 2.75Å; K371-E423 PolarHBondContact NZ-OE1 2.67Å; K371-E423 IonicContact NZ-OE2 2.94Å; K371-E423 PolarHBondContact NZ-OE2 3.26Å
372	I	98.1	Very high	94.8	Very high	72 Å²	72	46 Å²	46	37%	0.369	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	130	176.1	-44.9	-177.1	0	0	0	109.3	M346 N348 R356 L360	M346-I372 HydrophobicContact CE-CD1 4.33Å; M346-I372 HydrophobicContact CE-CG1 4.06Å; M346-I372 HydrophobicContact CE-CG2 4.01Å; N348-I372 HydrophobicContact CB-CG2 4.31Å; R356-I372 HydrophobicContact CG-CD1 4.33Å; L360-I372 HydrophobicContact CD1-CD1 3.84Å; L360-I372 HydrophobicContact CD2-CD1 3.84Å; L360-I372 HydrophobicContact CD2-CG1 4.16Å; L360-I372 HydrophobicContact CG-CD1 4.31Å
373	V	97.6	Very high	94.4	Very high	17 Å²	17	48.2 Å²	48.2	10%	0.103	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	121.9	172.1	-176.6	0	0	0	0	108	F345 M346 I347 N348 A375 V420	F345-V373 HydrophobicContact CB-CG2 3.92Å; F345-V373 HydrophobicContact CD1-CG2 3.4Å; F345-V373 HydrophobicContact CE1-CG2 4.23Å; F345-V373 HydrophobicContact CG-CG2 4.04Å; M346-V373 PolarHBondContact O-N 3.46Å; I347-V373 HydrophobicContact CG1-CB 4.35Å; N348-V373 PolarHBondContact N-O 2.76Å; V373-A375 PolarHBondContact O-N 2.86Å; V373-A375 VanDerWaalsContact O-N 3.09Å; V373-V420 HydrophobicContact CB-CG2 4.44Å; V373-V420 HydrophobicContact CG1-CG2 4.07Å; V373-V420 HydrophobicContact CG2-CG2 3.93Å
374	E	97.4	Very high	93.9	Very high	117 Å²	117	52.4 Å²	52.4	55%	0.547	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	102.2	174.9	-176	164.2	149.9	0	0	109.4	K350	K350-E374 HydrophobicContact CB-CG 3.98Å; K350-E374 VanDerWaalsContact CD-OE1 3.28Å; K350-E374 WeakPolarHBondContact CD-OE1 3.38Å; K350-E374 HydrophobicContact CG-CG 4.33Å; K350-E374 IonicContact NZ-OE1 2.71Å; K350-E374 PolarHBondContact NZ-OE1 3.12Å; K350-E374 IonicContact NZ-OE2 3.57Å; K350-E374 PolarHBondContact NZ-OE2 3.03Å
375	A	96.2	Very high	93.5	Very high	10 Å²	10	51.3 Å²	51.3	8%	0.083	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	144.4	-177.1	0	0	0	0	0	111.9	I347 N348 L349 V373 D377 S416	I347-A375 HydrophobicContact CG2-CB 3.6Å; N348-A375 WeakPolarHBondContact O-CB 3.5Å; N348-A375 PolarHBondContact O-N 2.87Å; L349-A375 HydrophobicContact CD2-CB 3.84Å; L349-A375 HydrophobicContact CG-CB 3.97Å; V373-A375 PolarHBondContact O-N 2.86Å; V373-A375 VanDerWaalsContact O-N 3.09Å; A375-D377 PolarHBondContact O-N 3.32Å; A375-S416 WeakPolarHBondContact CA-OG 3.49Å; A375-S416 WeakPolarHBondContact CB-OG 3.3Å
376	V	95.8	Very high	93.3	Very high	48 Å²	48	51 Å²	51	29%	0.291	28%	0.275	S	S	.	.			trans	-68.5	117.2	177.5	180	0	0	0	0	109.6	G378 L381 G412 L415 S416	V376-G378 PolarHBondContact O-N 3.49Å; V376-G378 VanDerWaalsContact O-N 3.09Å; V376-L381 HydrophobicContact CG1-CD1 4.24Å; V376-L381 HydrophobicContact CG1-CD2 3.88Å; V376-L381 HydrophobicContact CG1-CG 4.24Å; V376-G412 CarbonylContact O-C 3.6Å; V376-G412 VanDerWaalsContact O-CA 3.28Å; V376-G412 WeakPolarHBondContact O-CA 3.48Å; V376-L415 HydrophobicContact CB-CB 4.15Å; V376-L415 HydrophobicContact CG1-CB 4.36Å; V376-L415 HydrophobicContact CG1-CD1 4.12Å; V376-L415 HydrophobicContact CG2-CB 3.87Å; V376-S416 PolarHBondContact N-OG 3.13Å
377	D	93.7	Very high	93	Very high	47 Å²	47	57.7 Å²	57.7	25%	0.251	30%	0.304	S	S	.	.			trans	-74.8	101	179.1	-170.8	-5.2	0	0	0	111.7	L349 R351 A375 K379 A380 L381	L349-D377 HydrophobicContact CD2-CB 4.24Å; R351-D377 IonicContact CZ-OD1 3.49Å; R351-D377 IonicContact CZ-OD2 2.6Å; R351-D377 IonicContact NH1-OD1 3.53Å; R351-D377 PolarHBondContact NH1-OD1 2.85Å; R351-D377 IonicContact NH1-OD2 2.66Å; R351-D377 PolarHBondContact NH1-OD2 3.36Å; R351-D377 IonicContact NH2-OD1 2.76Å; A375-D377 PolarHBondContact O-N 3.32Å; D377-K379 PolarHBondContact O-N 3.08Å; D377-K379 VanDerWaalsContact O-N 3.11Å; D377-K379 WeakPolarHBondContact OD1-CB 3.34Å; D377-K379 PolarHBondContact OD1-N 2.94Å; D377-A380 HydrophobicContact CB-CB 3.96Å; D377-A380 WeakPolarHBondContact O-CA 3.16Å; D377-A380 WeakPolarHBondContact O-CB 3.37Å; D377-A380 PolarHBondContact O-N 3.06Å; D377-L381 PolarHBondContact O-N 3Å
378	G	89.9	Confident	92.7	Very high	5 Å²	5	58.4 Å²	58.4	5%	0.052	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-26.8	174.5	0	0	0	0	0	115	V376 A380 R408	V376-G378 PolarHBondContact O-N 3.49Å; V376-G378 VanDerWaalsContact O-N 3.09Å; G378-A380 VanDerWaalsContact C-N 3.29Å; G378-R408 WeakPolarHBondContact CA-O 3.42Å; G378-R408 WeakPolarHBondContact O-CB 3.18Å
379	K	87.5	Confident	92.3	Very high	95 Å²	95	61.8 Å²	61.8	41%	0.413	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-20.2	175.4	-66	169.1	175.6	165.5	0	112.7	D377 D571 T574	D377-K379 PolarHBondContact O-N 3.08Å; D377-K379 VanDerWaalsContact O-N 3.11Å; D377-K379 WeakPolarHBondContact OD1-CB 3.34Å; D377-K379 PolarHBondContact OD1-N 2.94Å; K379-D571 IonicContact NZ-OD1 3.35Å; K379-D571 PolarHBondContact NZ-OD1 3.06Å; K379-T574 WeakPolarHBondContact CE-O 3.29Å; K379-T574 PolarHBondContact NZ-O 2.9Å; K379-T574 PolarHBondContact NZ-OG1 2.73Å
380	A	88.4	Confident	92.1	Very high	66 Å²	66	62.3 Å²	62.3	55%	0.545	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.7	-10.8	178	0	0	0	0	0	113.3	D377 G378 N382 Q385	D377-A380 HydrophobicContact CB-CB 3.96Å; D377-A380 WeakPolarHBondContact O-CA 3.16Å; D377-A380 WeakPolarHBondContact O-CB 3.37Å; D377-A380 PolarHBondContact O-N 3.06Å; G378-A380 VanDerWaalsContact C-N 3.29Å; A380-N382 PolarHBondContact O-N 2.94Å; A380-Q385 PolarHBondContact O-OE1 3.32Å
381	L	88.5	Confident	91.8	Very high	17 Å²	17	61.3 Å²	61.3	9%	0.089	34%	0.339	C	S	.	.			trans	-69.2	125.3	176.4	-68	178.8	0	0	0	111.1	V376 D377 L386 R408 I411 L415	V376-L381 HydrophobicContact CG1-CD1 4.24Å; V376-L381 HydrophobicContact CG1-CD2 3.88Å; V376-L381 HydrophobicContact CG1-CG 4.24Å; D377-L381 PolarHBondContact O-N 3Å; L381-L386 HydrophobicContact CD1-CD2 4.18Å; L381-R408 PolarHBondContact O-NH1 2.93Å; L381-I411 HydrophobicContact CD1-CB 4.24Å; L381-I411 HydrophobicContact CD1-CG2 3.75Å; L381-L415 HydrophobicContact CD1-CD1 4.3Å
382	N	86.9	Confident	91.5	Very high	61 Å²	61	63.4 Å²	63.4	33%	0.326	35%	0.35	S	S	.	.			trans	-106	163.1	171.8	71.5	61.7	0	0	0	112.7	A380 S384 Q385 L386 R408 E581	A380-N382 PolarHBondContact O-N 2.94Å; N382-S384 PolarHBondContact O-N 3.37Å; N382-S384 WeakPolarHBondContact OD1-CA 3.43Å; N382-S384 VanDerWaalsContact OD1-CB 3.3Å; N382-S384 WeakPolarHBondContact OD1-CB 3.47Å; N382-S384 PolarHBondContact OD1-N 2.93Å; N382-Q385 PolarHBondContact ND2-OE1 3.23Å; N382-Q385 WeakPolarHBondContact O-CB 3.46Å; N382-Q385 PolarHBondContact O-N 2.78Å; N382-Q385 PolarHBondContact OD1-N 2.79Å; N382-L386 PolarHBondContact O-N 2.73Å; N382-L386 VanDerWaalsContact O-N 3.14Å; N382-R408 VanDerWaalsContact C-NH1 3.31Å; N382-R408 VanDerWaalsContact CA-NH1 3.26Å; N382-E581 WeakPolarHBondContact CA-OE1 3.32Å
383	T	87.3	Confident	91.3	Very high	47 Å²	47	61 Å²	61	29%	0.288	34%	0.338	S	S	.	.	H	α-helix	trans	-61.4	-31.4	-174.8	-56.2	0	0	0	0	112.5	K387 R408 E581	T383-K387 HydrophobicContact CG2-CD 4.47Å; T383-K387 WeakPolarHBondContact O-CG 3.31Å; T383-K387 PolarHBondContact O-N 2.88Å; T383-K387 VanDerWaalsContact O-N 3.13Å; T383-R408 PolarHBondContact OG1-NH2 3.33Å; T383-E581 WeakPolarHBondContact CB-OE1 3.48Å; T383-E581 PolarHBondContact N-OE1 2.84Å; T383-E581 PolarHBondContact OG1-OE1 3.36Å
384	S	88.4	Confident	91	Very high	90 Å²	90	60.2 Å²	60.2	63%	0.629	33%	0.333	S	S	*	.	H	α-helix	trans	-70.1	-36.1	176.8	-52.6	0	0	0	0	111.9	N382 A388	N382-S384 PolarHBondContact O-N 3.37Å; N382-S384 WeakPolarHBondContact OD1-CA 3.43Å; N382-S384 VanDerWaalsContact OD1-CB 3.3Å; N382-S384 WeakPolarHBondContact OD1-CB 3.47Å; N382-S384 PolarHBondContact OD1-N 2.93Å; S384-A388 WeakPolarHBondContact O-CB 3.38Å; S384-A388 PolarHBondContact O-N 2.91Å
385	Q	88.6	Confident	90.8	Very high	81 Å²	81	58.4 Å²	58.4	38%	0.379	33%	0.331	S	S	.	.	H	α-helix	trans	-67.7	-44	173.8	-69.2	168.9	-56.1	0	0	111.8	A380 N382 K387 A388 L389	A380-Q385 PolarHBondContact O-OE1 3.32Å; N382-Q385 PolarHBondContact ND2-OE1 3.23Å; N382-Q385 WeakPolarHBondContact O-CB 3.46Å; N382-Q385 PolarHBondContact O-N 2.78Å; N382-Q385 PolarHBondContact OD1-N 2.79Å; Q385-K387 VanDerWaalsContact C-N 3.32Å; Q385-K387 PolarHBondContact O-N 2.85Å; Q385-A388 PolarHBondContact O-N 3.31Å; Q385-L389 WeakPolarHBondContact O-CG 3.48Å; Q385-L389 PolarHBondContact O-N 2.85Å
386	L	89.3	Confident	90.3	Very high	7 Å²	7	60.7 Å²	60.7	4%	0.037	36%	0.356	C	S	.	.	H	α-helix	trans	-58.6	-45	176.4	-62.7	-176.6	0	0	0	111.4	L381 N382 L389 N390 I391 I411 W578	L381-L386 HydrophobicContact CD1-CD2 4.18Å; N382-L386 PolarHBondContact O-N 2.73Å; N382-L386 VanDerWaalsContact O-N 3.14Å; L386-L389 CarbonylContact O-C 3.29Å; L386-L389 PolarHBondContact O-N 3.43Å; L386-N390 PolarHBondContact O-N 2.98Å; L386-I391 HydrophobicContact CB-CB 4.38Å; L386-I391 HydrophobicContact CD2-CB 4.39Å; L386-I391 HydrophobicContact CD2-CD1 3.9Å; L386-I391 HydrophobicContact CD2-CG2 4.35Å; L386-I391 PolarHBondContact O-N 3.13Å; L386-I411 HydrophobicContact CD1-CD1 4.31Å; L386-I411 HydrophobicContact CD2-CD1 4.23Å; L386-I411 HydrophobicContact CD2-CG2 3.92Å; L386-W578 WeakPolarHBondContact CD1-O 3.26Å
387	K	89.2	Confident	90	Very high	161 Å²	161	58.4 Å²	58.4	70%	0.7	34%	0.342	S	S	*	.	H	α-helix	trans	-64.4	-39.7	175.1	-72.4	178.7	178.7	-175.7	0	113.2	T383 Q385 L389 N390	T383-K387 HydrophobicContact CG2-CD 4.47Å; T383-K387 WeakPolarHBondContact O-CG 3.31Å; T383-K387 PolarHBondContact O-N 2.88Å; T383-K387 VanDerWaalsContact O-N 3.13Å; Q385-K387 VanDerWaalsContact C-N 3.32Å; Q385-K387 PolarHBondContact O-N 2.85Å; K387-L389 PolarHBondContact O-N 2.82Å; K387-N390 PolarHBondContact O-N 2.91Å; K387-N390 VanDerWaalsContact O-N 3.11Å
388	A	90.5	Very high	89.7	Confident	88 Å²	88	61.8 Å²	61.8	73%	0.727	35%	0.351	S	S	*	.	H	α-helix	trans	-66.3	-27.2	177.2	0	0	0	0	0	113.1	S384 Q385	S384-A388 WeakPolarHBondContact O-CB 3.38Å; S384-A388 PolarHBondContact O-N 2.91Å; Q385-A388 PolarHBondContact O-N 3.31Å
389	L	90.4	Very high	89.2	Confident	75 Å²	75	61.9 Å²	61.9	39%	0.393	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.2	3.1	173.6	-66.1	173.6	0	0	0	113.4	Q385 L386 K387 I391 L415 F516	Q385-L389 WeakPolarHBondContact O-CG 3.48Å; Q385-L389 PolarHBondContact O-N 2.85Å; L386-L389 CarbonylContact O-C 3.29Å; L386-L389 PolarHBondContact O-N 3.43Å; K387-L389 PolarHBondContact O-N 2.82Å; L389-I391 HydrophobicContact CB-CD1 3.68Å; L389-I391 HydrophobicContact CB-CG1 3.75Å; L389-I391 HydrophobicContact CD1-CD1 3.79Å; L389-I391 HydrophobicContact CG-CD1 4.4Å; L389-I391 PolarHBondContact O-N 3.33Å; L389-L415 HydrophobicContact CD1-CD1 4.21Å; L389-F516 WeakPolarHBondContact O-CD2 3.46Å
390	N	93.2	Very high	88.8	Confident	103 Å²	103	59.8 Å²	59.8	55%	0.551	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.9	38.6	-174	-161.6	60.8	0	0	0	113.4	L386 K387 E392 F516 G517	L386-N390 PolarHBondContact O-N 2.98Å; K387-N390 PolarHBondContact O-N 2.91Å; K387-N390 VanDerWaalsContact O-N 3.11Å; N390-E392 PolarHBondContact O-N 3.06Å; N390-F516 CarbonylContact O-C 3.46Å; N390-F516 VanDerWaalsContact O-C 3.27Å; N390-G517 PolarHBondContact O-N 3.06Å
391	I	93.1	Very high	88	Confident	8 Å²	8	61.1 Å²	61.1	4%	0.041	34%	0.338	C	S	.	.			trans	-84.2	113	-179.8	-64.4	170.4	0	0	0	110	L386 L389 I411 L415 F516 M519	L386-I391 HydrophobicContact CB-CB 4.38Å; L386-I391 HydrophobicContact CD2-CB 4.39Å; L386-I391 HydrophobicContact CD2-CD1 3.9Å; L386-I391 HydrophobicContact CD2-CG2 4.35Å; L386-I391 PolarHBondContact O-N 3.13Å; L389-I391 HydrophobicContact CB-CD1 3.68Å; L389-I391 HydrophobicContact CB-CG1 3.75Å; L389-I391 HydrophobicContact CD1-CD1 3.79Å; L389-I391 HydrophobicContact CG-CD1 4.4Å; L389-I391 PolarHBondContact O-N 3.33Å; I391-I411 HydrophobicContact CD1-CG2 4.01Å; I391-I411 HydrophobicContact CG2-CD1 4.23Å; I391-I411 HydrophobicContact CG2-CG2 4.4Å; I391-L415 HydrophobicContact CD1-CD1 3.94Å; I391-L415 HydrophobicContact CD1-CD2 4.12Å; I391-L415 HydrophobicContact CD1-CG 4.43Å; I391-F516 WeakPolarHBondContact CA-O 3.48Å; I391-F516 HydrophobicContact CG1-CB 4.4Å; I391-F516 HydrophobicContact CG1-CG 4.39Å; I391-M519 HydrophobicContact CD1-CE 4.28Å; I391-M519 HydrophobicContact CG1-CE 4.1Å; I391-M519 HydrophobicContact CG2-CB 4.45Å; I391-M519 HydrophobicContact CG2-CE 4.13Å; I391-M519 HydrophobicContact CG2-SD 3.77Å
392	E	91.9	Very high	87.2	Confident	116 Å²	116	62 Å²	62	54%	0.542	35%	0.345	S	S	.	.			trans	-124.3	136.8	171.3	-61.1	-163.1	160	0	0	109.8	N390 F516 K518 M519	N390-E392 PolarHBondContact O-N 3.06Å; E392-F516 PolarHBondContact N-O 3.34Å; E392-K518 PolarHBondContact O-N 3.4Å; E392-M519 WeakPolarHBondContact O-CB 3.25Å; E392-M519 PolarHBondContact O-N 2.98Å
393	M	92.6	Very high	86.9	Confident	23 Å²	23	62.9 Å²	62.9	11%	0.113	36%	0.357	C	S	.	.	B	Isolated β-bridge	trans	-68.7	138.3	173.8	-174.4	-170.6	69.7	0	0	109.9	Y397 P405 L406 W578	M393-Y397 HydrophobicContact CG-CD1 4.18Å; M393-Y397 HydrophobicContact SD-CD1 3.92Å; M393-P405 HydrophobicContact SD-CB 4.37Å; M393-L406 HydrophobicContact CB-CD2 4.14Å; M393-L406 HydrophobicContact CG-CB 3.81Å; M393-L406 HydrophobicContact CG-CD2 4.01Å; M393-L406 HydrophobicContact SD-CB 3.66Å; M393-W578 HydrophobicContact CB-CD2 3.78Å; M393-W578 HydrophobicContact CB-CE3 4.07Å; M393-W578 HydrophobicContact CB-CG 4.37Å; M393-W578 HydrophobicContact CB-CH2 4.08Å; M393-W578 HydrophobicContact CB-CZ2 3.79Å; M393-W578 HydrophobicContact CB-CZ3 4.21Å; M393-W578 HydrophobicContact CE-CZ2 4.37Å
394	L	93.1	Very high	86.7	Confident	0 Å²	0	62.2 Å²	62.2	0%	0	35%	0.349	C	S	.	.	P	Polyproline II helix	trans	-49.7	127.8	176.8	-174.7	145.1	0	0	0	111.2	G396 Y397 M519 L520 Y538 Y541 Y542	L394-G396 PolarHBondContact O-N 3.41Å; L394-Y397 VanDerWaalsContact O-CB 3.29Å; L394-Y397 WeakPolarHBondContact O-CB 3.13Å; L394-Y397 PolarHBondContact O-N 3.21Å; L394-M519 PolarHBondContact N-O 2.84Å; L394-L520 HydrophobicContact CB-CD2 3.74Å; L394-L520 HydrophobicContact CB-CG 4.08Å; L394-L520 HydrophobicContact CD1-CD1 4.03Å; L394-L520 HydrophobicContact CD1-CD2 4.21Å; L394-L520 HydrophobicContact CD1-CG 4.15Å; L394-L520 HydrophobicContact CG-CD2 4.37Å; L394-Y538 HydrophobicContact CD2-CD1 3.73Å; L394-Y538 HydrophobicContact CD2-CE1 4.34Å; L394-Y538 HydrophobicContact CD2-CG 4.17Å; L394-Y541 HydrophobicContact CD1-CD2 3.73Å; L394-Y541 HydrophobicContact CD1-CE2 4.45Å; L394-Y541 HydrophobicContact CD1-CG 3.79Å; L394-Y541 HydrophobicContact CD2-CD2 3.96Å; L394-Y541 HydrophobicContact CD2-CE2 3.89Å; L394-Y541 HydrophobicContact CG-CD1 4.48Å; L394-Y541 HydrophobicContact CG-CD2 3.92Å; L394-Y541 HydrophobicContact CG-CE2 4.17Å; L394-Y541 HydrophobicContact CG-CG 4.09Å; L394-Y542 HydrophobicContact CD1-CE2 4Å
395	P	91.3	Very high	86.6	Confident	78 Å²	78	59.4 Å²	59.4	51%	0.506	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	122.7	-173.2	-26.4	33.6	0	0	0	113.1	Y541	P395-Y541 HydrophobicContact CG-CE1 3.98Å
396	G	86.9	Confident	86.6	Confident	58 Å²	58	55.5 Å²	55.5	60%	0.598	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.6	-1.2	-178.1	0	0	0	0	0	115.4	L394 R398	L394-G396 PolarHBondContact O-N 3.41Å; G396-R398 PolarHBondContact O-N 3.11Å
397	Y	89.9	Confident	86.6	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	31%	0.309	C	S	.	.			trans	-54.2	131.4	-178.7	175.5	-110.2	0	0	0	113.1	M393 L394 D399 L406 L520 P521 E524 Y538	M393-Y397 HydrophobicContact CG-CD1 4.18Å; M393-Y397 HydrophobicContact SD-CD1 3.92Å; L394-Y397 VanDerWaalsContact O-CB 3.29Å; L394-Y397 WeakPolarHBondContact O-CB 3.13Å; L394-Y397 PolarHBondContact O-N 3.21Å; Y397-D399 WeakPolarHBondContact OH-CA 3.3Å; Y397-L406 HydrophobicContact CD1-CB 4.39Å; Y397-L406 HydrophobicContact CE1-CB 4.49Å; Y397-L520 HydrophobicContact CD1-CD2 4.21Å; Y397-L520 HydrophobicContact CD2-CD2 3.14Å; Y397-L520 HydrophobicContact CE2-CD2 3.64Å; Y397-L520 HydrophobicContact CG-CD2 3.48Å; Y397-L520 VanDerWaalsContact CG-CD2 3.48Å; Y397-P521 HydrophobicContact CE1-CG 4.16Å; Y397-P521 WeakPolarHBondContact OH-CD 3.45Å; Y397-P521 WeakPolarHBondContact OH-CG 3.46Å; Y397-E524 HydrophobicContact CE2-CG 4.41Å; Y397-E524 PolarHBondContact OH-OE1 2.94Å; Y397-Y538 HydrophobicContact CD2-CD2 4.05Å; Y397-Y538 AromaticContact CD2-CE2 3.48Å; Y397-Y538 HydrophobicContact CD2-CE2 3.48Å; Y397-Y538 VanDerWaalsContact CD2-CE2 3.48Å; Y397-Y538 AromaticContact CD2-CZ 3.77Å; Y397-Y538 HydrophobicContact CE2-CD2 4.43Å; Y397-Y538 AromaticContact CE2-CE2 3.82Å; Y397-Y538 HydrophobicContact CE2-CE2 3.82Å
398	R	86.5	Confident	86.6	Confident	119 Å²	119	47.6 Å²	47.6	45%	0.449	28%	0.276	S	S	.	.			trans	-139.8	136.6	162.2	-65.2	-62.7	-175.2	-89.3	1.7	108.2	G396 P400 R404 Y538	G396-R398 PolarHBondContact O-N 3.11Å; R398-P400 WeakPolarHBondContact O-CD 3.48Å; R398-R404 WeakPolarHBondContact CA-O 3.4Å; R398-Y538 PolarHBondContact N-OH 3.42Å; R398-Y538 PolarHBondContact O-OH 3.23Å
399	D	80.3	Confident	86.6	Confident	7 Å²	7	43.6 Å²	43.6	4%	0.037	24%	0.243	C	C	.	.			trans	-51.9	123	170.4	173.1	-69.5	0	0	0	110.1	Y397 Y401 S402 S403 R404 Y495	Y397-D399 WeakPolarHBondContact OH-CA 3.3Å; D399-Y401 PolarHBondContact O-N 3.12Å; D399-Y401 PolarHBondContact OD1-N 2.95Å; D399-S402 VanDerWaalsContact CB-OG 3.29Å; D399-S402 WeakPolarHBondContact CB-OG 3.19Å; D399-S402 WeakPolarHBondContact OD1-CB 3.47Å; D399-S402 PolarHBondContact OD1-N 2.87Å; D399-S402 PolarHBondContact OD1-OG 3.15Å; D399-S402 PolarHBondContact OD2-OG 3.12Å; D399-S403 WeakPolarHBondContact O-CA 3.39Å; D399-S403 PolarHBondContact O-N 3.36Å; D399-R404 HydrophobicContact CB-CG 3.77Å; D399-R404 PolarHBondContact N-O 3.02Å; D399-R404 IonicContact OD2-CZ 3.32Å; D399-R404 VanDerWaalsContact OD2-CZ 3.3Å; D399-R404 IonicContact OD2-NE 2.79Å; D399-R404 PolarHBondContact OD2-NE 2.75Å; D399-R404 IonicContact OD2-NH2 4Å; D399-R404 PolarHBondContact OD2-NH2 2.97Å; D399-Y495 PolarHBondContact OD2-OH 3.04Å
400	P	78.9	Confident	86.8	Confident	50 Å²	50	40.5 Å²	40.5	33%	0.325	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-16.3	-173.5	-31.1	39.3	0	0	0	116.5	R398 E524 V535	R398-P400 WeakPolarHBondContact O-CD 3.48Å; P400-E524 WeakPolarHBondContact CD-OE1 3.04Å; P400-V535 HydrophobicContact CG-CG2 4.11Å
401	Y	70.7	Confident	86.8	Confident	94 Å²	94	35.6 Å²	35.6	37%	0.369	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.1	-36.3	-176	-66.7	-85.1	0	0	0	114	D399 M473 Y493 Y495	D399-Y401 PolarHBondContact O-N 3.12Å; D399-Y401 PolarHBondContact OD1-N 2.95Å; Y401-M473 HydrophobicContact CD1-CE 4.1Å; Y401-M473 HydrophobicContact CD2-CE 3.68Å; Y401-M473 HydrophobicContact CE1-CE 3.75Å; Y401-M473 HydrophobicContact CE2-CE 3.27Å; Y401-M473 HydrophobicContact CG-CE 4.08Å; Y401-Y493 AromaticContact CE2-CE1 3.65Å; Y401-Y493 HydrophobicContact CE2-CE1 3.65Å; Y401-Y493 AromaticContact CZ-CE1 3.97Å; Y401-Y493 WeakPolarHBondContact OH-CE1 3.46Å; Y401-Y495 HydrophobicContact CD2-CE1 4.34Å; Y401-Y495 AromaticContact CD2-CE2 3.81Å; Y401-Y495 HydrophobicContact CD2-CE2 3.81Å; Y401-Y495 AromaticContact CD2-CZ 3.61Å; Y401-Y495 WeakPolarHBondContact CD2-OH 3.33Å; Y401-Y495 HydrophobicContact CE2-CE1 4.21Å; Y401-Y495 HydrophobicContact CE2-CE2 4.29Å; Y401-Y495 AromaticContact CE2-CZ 3.92Å
402	S	72.8	Confident	87	Confident	35 Å²	35	35.3 Å²	35.3	25%	0.245	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.4	-21.2	-176.8	62.9	0	0	0	0	112.7	D399 R404	D399-S402 VanDerWaalsContact CB-OG 3.29Å; D399-S402 WeakPolarHBondContact CB-OG 3.19Å; D399-S402 WeakPolarHBondContact OD1-CB 3.47Å; D399-S402 PolarHBondContact OD1-N 2.87Å; D399-S402 PolarHBondContact OD1-OG 3.15Å; D399-S402 PolarHBondContact OD2-OG 3.12Å; S402-R404 VanDerWaalsContact C-N 3.26Å; S402-R404 WeakPolarHBondContact OG-CD 3.34Å; S402-R404 VanDerWaalsContact OG-CG 3.25Å; S402-R404 WeakPolarHBondContact OG-CG 3.27Å; S402-R404 PolarHBondContact OG-NE 3.43Å
403	S	80.1	Confident	87.1	Confident	81 Å²	81	30.9 Å²	30.9	57%	0.566	18%	0.181	S	C	*	.			trans	62.4	28.6	-175.6	-46.5	0	0	0	0	114.1	D399	D399-S403 WeakPolarHBondContact O-CA 3.39Å; D399-S403 PolarHBondContact O-N 3.36Å
404	R	82.6	Confident	87.4	Confident	33 Å²	33	29.8 Å²	29.8	13%	0.125	18%	0.176	C	C	.	.	P	Polyproline II helix	trans	-89.9	154.7	178.5	76.5	-158.6	165.8	76.4	7.1	111.8	R398 D399 S402 E410 W587	R398-R404 WeakPolarHBondContact CA-O 3.4Å; D399-R404 HydrophobicContact CB-CG 3.77Å; D399-R404 PolarHBondContact N-O 3.02Å; D399-R404 IonicContact OD2-CZ 3.32Å; D399-R404 VanDerWaalsContact OD2-CZ 3.3Å; D399-R404 IonicContact OD2-NE 2.79Å; D399-R404 PolarHBondContact OD2-NE 2.75Å; D399-R404 IonicContact OD2-NH2 4Å; D399-R404 PolarHBondContact OD2-NH2 2.97Å; S402-R404 VanDerWaalsContact C-N 3.26Å; S402-R404 WeakPolarHBondContact OG-CD 3.34Å; S402-R404 VanDerWaalsContact OG-CG 3.25Å; S402-R404 WeakPolarHBondContact OG-CG 3.27Å; S402-R404 PolarHBondContact OG-NE 3.43Å; R404-E410 IonicContact CZ-OE1 2.67Å; R404-E410 IonicContact NH1-OE1 2.73Å; R404-E410 PolarHBondContact NH1-OE1 3.39Å; R404-E410 IonicContact NH1-OE2 2.79Å; R404-E410 PolarHBondContact NH1-OE2 3.47Å; R404-E410 IonicContact NH2-OE1 2.9Å; R404-E410 PolarHBondContact NH2-OE1 3.02Å; R404-W587 HydrophobicContact CB-CE3 4.16Å; R404-W587 HydrophobicContact CB-CH2 3.79Å; R404-W587 HydrophobicContact CB-CZ2 4.46Å; R404-W587 HydrophobicContact CB-CZ3 3.61Å; R404-W587 HydrophobicContact CG-CE3 4.11Å; R404-W587 HydrophobicContact CG-CH2 4.24Å; R404-W587 HydrophobicContact CG-CZ3 3.6Å
405	P	86.5	Confident	87.6	Confident	30 Å²	30	30.6 Å²	30.6	20%	0.195	18%	0.18	C	C	.	.	P	Polyproline II helix	trans	-77.8	170	168.6	34.7	-36.4	0	0	0	111.7	M393 I577 W587	M393-P405 HydrophobicContact SD-CB 4.37Å; P405-I577 HydrophobicContact CG-CG2 4.25Å; P405-W587 HydrophobicContact CG-CH2 4.16Å
406	L	88.1	Confident	87.9	Confident	0 Å²	0	27 Å²	27	0%	0	16%	0.157	C	C	.	.	P	Polyproline II helix	trans	-59.9	138.4	173.7	-177.2	64.1	0	0	0	112	M393 Y397 E410 I411 M519 P521 W578	M393-L406 HydrophobicContact CB-CD2 4.14Å; M393-L406 HydrophobicContact CG-CB 3.81Å; M393-L406 HydrophobicContact CG-CD2 4.01Å; M393-L406 HydrophobicContact SD-CB 3.66Å; Y397-L406 HydrophobicContact CD1-CB 4.39Å; Y397-L406 HydrophobicContact CE1-CB 4.49Å; L406-E410 HydrophobicContact CD1-CB 3.65Å; L406-I411 HydrophobicContact CD1-CG1 4.31Å; L406-I411 HydrophobicContact CD2-CD1 3.93Å; L406-I411 HydrophobicContact CD2-CG1 3.72Å; L406-I411 HydrophobicContact CG-CD1 4.24Å; L406-I411 HydrophobicContact CG-CG1 3.94Å; L406-M519 HydrophobicContact CD2-CB 4.44Å; L406-M519 HydrophobicContact CD2-CG 4.23Å; L406-P521 HydrophobicContact CD1-CG 3.88Å; L406-W578 HydrophobicContact CB-CB 4.35Å; L406-W578 HydrophobicContact CB-CG 4.37Å; L406-W578 HydrophobicContact CD2-CB 4.48Å; L406-W578 HydrophobicContact CG-CB 4.33Å; L406-W578 WeakPolarHBondContact O-CB 3.44Å; L406-W578 PolarHBondContact O-N 3.47Å
407	T	89.9	Confident	88.5	Confident	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.128	C	C	.	.	B	Isolated β-bridge	trans	-102.5	160.7	173.9	66.7	0	0	0	0	112.1	G409 E410 I411 T572 T576 T585 W587	T407-G409 VanDerWaalsContact C-N 3.29Å; T407-G409 PolarHBondContact O-N 3.44Å; T407-E410 WeakPolarHBondContact CB-OE2 3.2Å; T407-E410 WeakPolarHBondContact CG2-OE2 3.28Å; T407-E410 PolarHBondContact N-OE2 3.43Å; T407-E410 PolarHBondContact O-N 2.81Å; T407-E410 VanDerWaalsContact OG1-CG 3.3Å; T407-E410 WeakPolarHBondContact OG1-CG 3.43Å; T407-E410 PolarHBondContact OG1-N 3.08Å; T407-E410 VanDerWaalsContact OG1-N 3.16Å; T407-E410 PolarHBondContact OG1-OE2 3.37Å; T407-I411 WeakPolarHBondContact O-CG1 3.47Å; T407-I411 PolarHBondContact O-N 3.43Å; T407-I411 VanDerWaalsContact O-N 3.14Å; T407-T572 PolarHBondContact OG1-O 3.46Å; T407-T576 CarbonylContact C-O 3.51Å; T407-T576 WeakPolarHBondContact CA-O 2.94Å; T407-T585 HydrophobicContact CG2-CG2 4.13Å; T407-W587 HydrophobicContact CG2-CE3 3.89Å; T407-W587 HydrophobicContact CG2-CH2 3.89Å; T407-W587 HydrophobicContact CG2-CZ3 3.28Å
408	R	90.6	Very high	88.9	Confident	1 Å²	1	26.3 Å²	26.3	0%	0.004	14%	0.136	C	C	.	.	H	α-helix	trans	-69.4	-28.1	173.5	-62.5	-163.1	174.1	-171	-1.2	113.2	G378 L381 N382 T383 I411 G412 T576 W578 E581	G378-R408 WeakPolarHBondContact CA-O 3.42Å; G378-R408 WeakPolarHBondContact O-CB 3.18Å; L381-R408 PolarHBondContact O-NH1 2.93Å; N382-R408 VanDerWaalsContact C-NH1 3.31Å; N382-R408 VanDerWaalsContact CA-NH1 3.26Å; T383-R408 PolarHBondContact OG1-NH2 3.33Å; R408-I411 PolarHBondContact O-N 2.85Å; R408-G412 PolarHBondContact O-N 3.02Å; R408-T576 WeakPolarHBondContact CD-OG1 3.48Å; R408-T576 PolarHBondContact N-O 3.45Å; R408-W578 VanDerWaalsContact CZ-O 3.3Å; R408-W578 PolarHBondContact NE-O 2.93Å; R408-W578 PolarHBondContact NH2-O 3.18Å; R408-E581 VanDerWaalsContact CZ-CG 3.49Å; R408-E581 IonicContact CZ-OE1 3.49Å; R408-E581 VanDerWaalsContact NH1-CD 3.28Å; R408-E581 IonicContact NH1-OE1 3.91Å; R408-E581 PolarHBondContact NH1-OE1 2.79Å; R408-E581 IonicContact NH2-OE1 3.94Å; R408-E581 PolarHBondContact NH2-OE1 2.94Å
409	G	90.5	Very high	89.4	Confident	5 Å²	5	23 Å²	23	5%	0.052	13%	0.131	C	C	.	.	H	α-helix	trans	-59.7	-44.6	170.9	0	0	0	0	0	112.2	T407 G412 C413 S575	T407-G409 VanDerWaalsContact C-N 3.29Å; T407-G409 PolarHBondContact O-N 3.44Å; G409-G412 PolarHBondContact O-N 2.63Å; G409-C413 PolarHBondContact O-N 2.85Å; G409-S575 PolarHBondContact N-OG 2.88Å
410	E	93.1	Very high	90.3	Very high	10 Å²	10	22.7 Å²	22.7	5%	0.047	13%	0.13	C	C	.	.	H	α-helix	trans	-67	-37.8	174.2	-70.6	162.3	122	0	0	113.1	R404 L406 T407 G412 C413 F414 P521	R404-E410 IonicContact CZ-OE1 2.67Å; R404-E410 IonicContact NH1-OE1 2.73Å; R404-E410 PolarHBondContact NH1-OE1 3.39Å; R404-E410 IonicContact NH1-OE2 2.79Å; R404-E410 PolarHBondContact NH1-OE2 3.47Å; R404-E410 IonicContact NH2-OE1 2.9Å; R404-E410 PolarHBondContact NH2-OE1 3.02Å; L406-E410 HydrophobicContact CD1-CB 3.65Å; T407-E410 WeakPolarHBondContact CB-OE2 3.2Å; T407-E410 WeakPolarHBondContact CG2-OE2 3.28Å; T407-E410 PolarHBondContact N-OE2 3.43Å; T407-E410 PolarHBondContact O-N 2.81Å; T407-E410 VanDerWaalsContact OG1-CG 3.3Å; T407-E410 WeakPolarHBondContact OG1-CG 3.43Å; T407-E410 PolarHBondContact OG1-N 3.08Å; T407-E410 VanDerWaalsContact OG1-N 3.16Å; T407-E410 PolarHBondContact OG1-OE2 3.37Å; E410-G412 VanDerWaalsContact C-N 3.32Å; E410-G412 PolarHBondContact O-N 3.21Å; E410-C413 WeakPolarHBondContact O-CB 3.43Å; E410-C413 PolarHBondContact O-N 3.12Å; E410-F414 WeakPolarHBondContact O-CB 3.42Å; E410-F414 PolarHBondContact O-N 2.98Å; E410-P521 HydrophobicContact CB-CB 4.44Å; E410-P521 HydrophobicContact CB-CG 4.46Å; E410-P521 HydrophobicContact CG-CB 4.4Å; E410-P521 HydrophobicContact CG-CG 4.4Å; E410-P521 WeakPolarHBondContact OE1-CG 3.49Å
411	I	94.3	Very high	91.2	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-60.3	-43.9	171.6	-65.2	169.9	0	0	0	110.3	L381 L386 I391 L406 T407 R408 F414 L415 M519 W578	L381-I411 HydrophobicContact CD1-CB 4.24Å; L381-I411 HydrophobicContact CD1-CG2 3.75Å; L386-I411 HydrophobicContact CD1-CD1 4.31Å; L386-I411 HydrophobicContact CD2-CD1 4.23Å; L386-I411 HydrophobicContact CD2-CG2 3.92Å; I391-I411 HydrophobicContact CD1-CG2 4.01Å; I391-I411 HydrophobicContact CG2-CD1 4.23Å; I391-I411 HydrophobicContact CG2-CG2 4.4Å; L406-I411 HydrophobicContact CD1-CG1 4.31Å; L406-I411 HydrophobicContact CD2-CD1 3.93Å; L406-I411 HydrophobicContact CD2-CG1 3.72Å; L406-I411 HydrophobicContact CG-CD1 4.24Å; L406-I411 HydrophobicContact CG-CG1 3.94Å; T407-I411 WeakPolarHBondContact O-CG1 3.47Å; T407-I411 PolarHBondContact O-N 3.43Å; T407-I411 VanDerWaalsContact O-N 3.14Å; R408-I411 PolarHBondContact O-N 2.85Å; I411-F414 PolarHBondContact O-N 2.91Å; I411-L415 HydrophobicContact CG2-CD1 3.79Å; I411-L415 HydrophobicContact CG2-CG 4.22Å; I411-L415 WeakPolarHBondContact O-CB 3.41Å; I411-L415 VanDerWaalsContact O-CG 3.26Å; I411-L415 WeakPolarHBondContact O-CG 3.3Å; I411-L415 PolarHBondContact O-N 3.06Å; I411-M519 HydrophobicContact CB-SD 4.25Å; I411-M519 HydrophobicContact CG1-SD 3.86Å; I411-M519 HydrophobicContact CG2-SD 3.96Å; I411-W578 HydrophobicContact CD1-CB 3.7Å
412	G	95.8	Very high	92.6	Very high	1 Å²	1	18.5 Å²	18.5	1%	0.01	11%	0.108	C	C	.	.	H	α-helix	trans	-60.9	-43.8	175.4	0	0	0	0	0	112.9	V376 R408 G409 E410 S416	V376-G412 CarbonylContact O-C 3.6Å; V376-G412 VanDerWaalsContact O-CA 3.28Å; V376-G412 WeakPolarHBondContact O-CA 3.48Å; R408-G412 PolarHBondContact O-N 3.02Å; G409-G412 PolarHBondContact O-N 2.63Å; E410-G412 VanDerWaalsContact C-N 3.32Å; E410-G412 PolarHBondContact O-N 3.21Å; G412-S416 WeakPolarHBondContact O-CB 3.26Å; G412-S416 PolarHBondContact O-N 2.94Å; G412-S416 PolarHBondContact O-OG 3.29Å
413	C	95.9	Very high	93.8	Very high	24 Å²	24	19 Å²	19	16%	0.162	11%	0.107	C	C	.	.	H	α-helix	trans	-58.8	-51.6	172.5	174.4	0	0	0	0	111.4	G409 E410 L415 S416 H417 V522 T572	G409-C413 PolarHBondContact O-N 2.85Å; E410-C413 WeakPolarHBondContact O-CB 3.43Å; E410-C413 PolarHBondContact O-N 3.12Å; C413-L415 PolarHBondContact O-N 3.03Å; C413-S416 WeakPolarHBondContact O-CB 3.47Å; C413-S416 PolarHBondContact O-N 2.77Å; C413-S416 VanDerWaalsContact O-N 3.09Å; C413-H417 PolarHBondContact O-CD2 3.06Å; C413-H417 VanDerWaalsContact O-CD2 3.28Å; C413-H417 PolarHBondContact O-N 3.05Å; C413-H417 VanDerWaalsContact O-N 3.11Å; C413-V522 VanDerWaalsContact SG-CG1 3.57Å; C413-T572 HydrophobicContact CB-CG2 3.82Å
414	F	97.6	Very high	94.7	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-55.9	-50.8	178	-167.7	-72.8	0	0	0	112.1	E410 I411 S416 H417 Y418 W421 P515 F516 M519 L520 V522 F525	E410-F414 WeakPolarHBondContact O-CB 3.42Å; E410-F414 PolarHBondContact O-N 2.98Å; I411-F414 PolarHBondContact O-N 2.91Å; F414-S416 PolarHBondContact O-N 3.39Å; F414-H417 PolarHBondContact O-N 3.36Å; F414-Y418 HydrophobicContact CE1-CD2 4.16Å; F414-Y418 WeakPolarHBondContact O-CB 3.35Å; F414-Y418 PolarHBondContact O-N 3.03Å; F414-W421 HydrophobicContact CE1-CZ3 4.29Å; F414-W421 HydrophobicContact CZ-CH2 4.4Å; F414-W421 HydrophobicContact CZ-CZ3 4.16Å; F414-P515 HydrophobicContact CE1-CB 4.01Å; F414-P515 HydrophobicContact CE1-CG 3.65Å; F414-P515 HydrophobicContact CE2-CB 4.45Å; F414-P515 HydrophobicContact CZ-CB 3.53Å; F414-P515 HydrophobicContact CZ-CG 3.57Å; F414-F516 HydrophobicContact CE1-CE1 4.3Å; F414-M519 HydrophobicContact CB-SD 4.42Å; F414-M519 HydrophobicContact CD1-CE 3.77Å; F414-M519 HydrophobicContact CD1-SD 4.48Å; F414-M519 HydrophobicContact CE1-CE 4.2Å; F414-M519 HydrophobicContact CG-CE 4.24Å; F414-M519 HydrophobicContact CG-SD 4.35Å; F414-L520 VanDerWaalsContact CD2-O 3.24Å; F414-L520 WeakPolarHBondContact CD2-O 3.27Å; F414-V522 HydrophobicContact CD2-CB 3.96Å; F414-F525 HydrophobicContact CE2-CB 3.74Å; F414-F525 AromaticContact CE2-CD1 3.55Å; F414-F525 HydrophobicContact CE2-CD1 3.55Å; F414-F525 HydrophobicContact CE2-CD2 4.46Å; F414-F525 HydrophobicContact CE2-CE1 4.25Å; F414-F525 AromaticContact CE2-CG 3.66Å; F414-F525 HydrophobicContact CE2-CG 3.66Å; F414-F525 AromaticContact CZ-CD1 3.71Å; F414-F525 HydrophobicContact CZ-CD1 3.71Å; F414-F525 AromaticContact CZ-CE1 3.94Å; F414-F525 HydrophobicContact CZ-CE1 3.94Å; F414-F525 HydrophobicContact CZ-CG 4.05Å; F414-F525 HydrophobicContact CZ-CZ 4.48Å
415	L	97.4	Very high	95.5	Very high	16 Å²	16	15.3 Å²	15.3	8%	0.084	8%	0.083	C	C	.	.	H	α-helix	trans	-62.3	-30.7	179.5	-69.3	173.2	0	0	0	112.3	V376 L381 L389 I391 I411 C413 S419 F516 M519	V376-L415 HydrophobicContact CB-CB 4.15Å; V376-L415 HydrophobicContact CG1-CB 4.36Å; V376-L415 HydrophobicContact CG1-CD1 4.12Å; V376-L415 HydrophobicContact CG2-CB 3.87Å; L381-L415 HydrophobicContact CD1-CD1 4.3Å; L389-L415 HydrophobicContact CD1-CD1 4.21Å; I391-L415 HydrophobicContact CD1-CD1 3.94Å; I391-L415 HydrophobicContact CD1-CD2 4.12Å; I391-L415 HydrophobicContact CD1-CG 4.43Å; I411-L415 HydrophobicContact CG2-CD1 3.79Å; I411-L415 HydrophobicContact CG2-CG 4.22Å; I411-L415 WeakPolarHBondContact O-CB 3.41Å; I411-L415 VanDerWaalsContact O-CG 3.26Å; I411-L415 WeakPolarHBondContact O-CG 3.3Å; I411-L415 PolarHBondContact O-N 3.06Å; C413-L415 PolarHBondContact O-N 3.03Å; L415-S419 WeakPolarHBondContact O-CB 3.35Å; L415-S419 PolarHBondContact O-N 3.45Å; L415-F516 HydrophobicContact CD2-CE1 3.71Å; L415-F516 HydrophobicContact CD2-CE2 4.3Å; L415-F516 HydrophobicContact CD2-CZ 3.54Å; L415-M519 HydrophobicContact CD2-CE 4.44Å
416	S	97.9	Very high	96	Very high	3 Å²	3	19.4 Å²	19.4	2%	0.021	10%	0.103	C	C	.	.	H	α-helix	trans	-66.4	-50.2	175	-55.1	0	0	0	0	111.3	A375 V376 G412 C413 F414 S419 V420	A375-S416 WeakPolarHBondContact CA-OG 3.49Å; A375-S416 WeakPolarHBondContact CB-OG 3.3Å; V376-S416 PolarHBondContact N-OG 3.13Å; G412-S416 WeakPolarHBondContact O-CB 3.26Å; G412-S416 PolarHBondContact O-N 2.94Å; G412-S416 PolarHBondContact O-OG 3.29Å; C413-S416 WeakPolarHBondContact O-CB 3.47Å; C413-S416 PolarHBondContact O-N 2.77Å; C413-S416 VanDerWaalsContact O-N 3.09Å; F414-S416 PolarHBondContact O-N 3.39Å; S416-S419 PolarHBondContact O-N 3.09Å; S416-S419 PolarHBondContact O-OG 2.85Å; S416-V420 PolarHBondContact O-N 3.28Å
417	H	98.4	Very high	96.5	Very high	1 Å²	1	24.3 Å²	24.3	1%	0.005	12%	0.122	C	C	.	.	H	α-helix	trans	-63.7	-41.5	175	-70.5	-79.3	0	0	0	112.4	I347 C413 F414 S419 V420 W421 E436 Y500 V522	I347-H417 WeakPolarHBondContact CD1-ND1 3.41Å; C413-H417 PolarHBondContact O-CD2 3.06Å; C413-H417 VanDerWaalsContact O-CD2 3.28Å; C413-H417 PolarHBondContact O-N 3.05Å; C413-H417 VanDerWaalsContact O-N 3.11Å; F414-H417 PolarHBondContact O-N 3.36Å; H417-S419 VanDerWaalsContact C-N 3.28Å; H417-S419 PolarHBondContact O-N 3.35Å; H417-V420 WeakPolarHBondContact O-CA 2.68Å; H417-V420 WeakPolarHBondContact O-CB 3.43Å; H417-V420 PolarHBondContact O-N 2.66Å; H417-W421 HydrophobicContact CB-CH2 4.26Å; H417-W421 HydrophobicContact CB-CZ2 3.71Å; H417-W421 PolarHBondContact O-N 3.02Å; H417-E436 IonicContact NE2-OE1 2.71Å; H417-Y500 AromaticContact CE1-CE1 3.77Å; H417-Y500 AromaticContact ND1-CE1 3.51Å; H417-Y500 AromaticContact ND1-CZ 3.75Å; H417-Y500 PolarHBondContact ND1-OH 2.99Å; H417-V522 HydrophobicContact CB-CG2 4.23Å
418	Y	98.4	Very high	96.9	Very high	42 Å²	42	31.7 Å²	31.7	17%	0.165	16%	0.156	C	C	.	.	H	α-helix	trans	-59.5	-38	176	-173.5	-85.2	0	0	0	112.2	F414 V420 W421 K422 V511 P515 F516	F414-Y418 HydrophobicContact CE1-CD2 4.16Å; F414-Y418 WeakPolarHBondContact O-CB 3.35Å; F414-Y418 PolarHBondContact O-N 3.03Å; Y418-V420 VanDerWaalsContact C-N 3.29Å; Y418-V420 PolarHBondContact O-N 3.29Å; Y418-W421 AromaticContact CD2-CE3 3.93Å; Y418-W421 HydrophobicContact CD2-CE3 3.93Å; Y418-W421 HydrophobicContact CD2-CZ3 4.12Å; Y418-W421 HydrophobicContact CG-CE3 4.37Å; Y418-W421 PolarHBondContact O-N 3.11Å; Y418-K422 HydrophobicContact CD1-CG 3.92Å; Y418-K422 HydrophobicContact CE1-CD 4.1Å; Y418-K422 HydrophobicContact CE1-CG 3.52Å; Y418-K422 WeakPolarHBondContact O-CB 3.49Å; Y418-K422 PolarHBondContact O-N 3.48Å; Y418-V511 HydrophobicContact CD2-CG2 4.36Å; Y418-V511 HydrophobicContact CE2-CB 4.35Å; Y418-V511 HydrophobicContact CE2-CG1 4.34Å; Y418-V511 HydrophobicContact CE2-CG2 3.99Å; Y418-P515 HydrophobicContact CD2-CG 4.24Å; Y418-P515 HydrophobicContact CE2-CG 4.12Å; Y418-F516 HydrophobicContact CD1-CE1 4.11Å; Y418-F516 AromaticContact CD1-CZ 3.73Å; Y418-F516 HydrophobicContact CD1-CZ 3.73Å; Y418-F516 AromaticContact CD2-CE1 3.95Å; Y418-F516 HydrophobicContact CD2-CE1 3.95Å; Y418-F516 HydrophobicContact CD2-CZ 4.37Å; Y418-F516 HydrophobicContact CE1-CE1 4.21Å; Y418-F516 HydrophobicContact CE1-CE2 4.44Å; Y418-F516 AromaticContact CE1-CZ 3.67Å; Y418-F516 HydrophobicContact CE1-CZ 3.67Å; Y418-F516 HydrophobicContact CE2-CE1 4.05Å; Y418-F516 HydrophobicContact CE2-CZ 4.3Å; Y418-F516 AromaticContact CG-CE1 3.98Å; Y418-F516 HydrophobicContact CG-CE1 3.98Å; Y418-F516 HydrophobicContact CG-CZ 4.09Å; Y418-F516 AromaticContact CZ-CZ 3.97Å
419	S	98.3	Very high	97.3	Very high	50 Å²	50	32.2 Å²	32.2	35%	0.35	16%	0.159	S	C	.	.	H	α-helix	trans	-63	-35.2	174.3	78.4	0	0	0	0	112.7	L415 S416 H417 E423	L415-S419 WeakPolarHBondContact O-CB 3.35Å; L415-S419 PolarHBondContact O-N 3.45Å; S416-S419 PolarHBondContact O-N 3.09Å; S416-S419 PolarHBondContact O-OG 2.85Å; H417-S419 VanDerWaalsContact C-N 3.28Å; H417-S419 PolarHBondContact O-N 3.35Å; S419-E423 PolarHBondContact O-N 2.64Å
420	V	98.6	Very high	97.7	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.006	18%	0.184	C	C	.	.	H	α-helix	trans	-69.4	-45.5	174.2	179.6	0	0	0	0	110.9	F345 I347 V373 S416 H417 Y418 K422 E423 V424 V434	F345-V420 HydrophobicContact CB-CG1 4.26Å; F345-V420 HydrophobicContact CD2-CG1 3.52Å; F345-V420 HydrophobicContact CE2-CG1 3.84Å; F345-V420 HydrophobicContact CG-CG1 3.89Å; F345-V420 HydrophobicContact CZ-CG1 4.45Å; I347-V420 HydrophobicContact CD1-CG2 4.05Å; I347-V420 HydrophobicContact CG1-CG2 4.2Å; V373-V420 HydrophobicContact CB-CG2 4.44Å; V373-V420 HydrophobicContact CG1-CG2 4.07Å; V373-V420 HydrophobicContact CG2-CG2 3.93Å; S416-V420 PolarHBondContact O-N 3.28Å; H417-V420 WeakPolarHBondContact O-CA 2.68Å; H417-V420 WeakPolarHBondContact O-CB 3.43Å; H417-V420 PolarHBondContact O-N 2.66Å; Y418-V420 VanDerWaalsContact C-N 3.29Å; Y418-V420 PolarHBondContact O-N 3.29Å; V420-K422 VanDerWaalsContact C-N 3.3Å; V420-K422 PolarHBondContact O-N 3.28Å; V420-E423 PolarHBondContact O-N 2.95Å; V420-E423 VanDerWaalsContact O-N 3.13Å; V420-V424 HydrophobicContact CG1-CG2 4.43Å; V420-V424 WeakPolarHBondContact O-CG2 3.45Å; V420-V424 PolarHBondContact O-N 2.91Å; V420-V434 HydrophobicContact CG1-CG2 3.78Å
421	W	98.8	Very high	97.9	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-61	-40	176.1	-51.2	-29.6	0	0	0	111.7	F414 H417 Y418 V424 I425 Y500 I502 A507 L510 V511 V522 F525 L526	F414-W421 HydrophobicContact CE1-CZ3 4.29Å; F414-W421 HydrophobicContact CZ-CH2 4.4Å; F414-W421 HydrophobicContact CZ-CZ3 4.16Å; H417-W421 HydrophobicContact CB-CH2 4.26Å; H417-W421 HydrophobicContact CB-CZ2 3.71Å; H417-W421 PolarHBondContact O-N 3.02Å; Y418-W421 AromaticContact CD2-CE3 3.93Å; Y418-W421 HydrophobicContact CD2-CE3 3.93Å; Y418-W421 HydrophobicContact CD2-CZ3 4.12Å; Y418-W421 HydrophobicContact CG-CE3 4.37Å; Y418-W421 PolarHBondContact O-N 3.11Å; W421-V424 PolarHBondContact O-N 3.15Å; W421-I425 VanDerWaalsContact O-CG1 3.28Å; W421-I425 WeakPolarHBondContact O-CG1 3.26Å; W421-I425 PolarHBondContact O-N 3.25Å; W421-Y500 AromaticContact NE1-CZ 3.81Å; W421-Y500 PolarHBondContact NE1-OH 2.84Å; W421-I502 HydrophobicContact CG-CD1 4.34Å; W421-A507 HydrophobicContact CB-CB 4.13Å; W421-L510 HydrophobicContact CD2-CB 4.05Å; W421-L510 HydrophobicContact CD2-CD1 3.86Å; W421-L510 HydrophobicContact CE3-CB 3.75Å; W421-L510 HydrophobicContact CE3-CD1 4.24Å; W421-L510 HydrophobicContact CG-CD1 4.43Å; W421-L510 HydrophobicContact CH2-CD1 4.1Å; W421-L510 HydrophobicContact CZ2-CD1 3.67Å; W421-L510 HydrophobicContact CZ3-CB 4.01Å; W421-L510 HydrophobicContact CZ3-CD1 4.35Å; W421-V511 HydrophobicContact CB-CG2 3.72Å; W421-V511 HydrophobicContact CE3-CG2 4.47Å; W421-V522 HydrophobicContact CH2-CG2 4Å; W421-V522 HydrophobicContact CZ2-CG2 4.07Å; W421-F525 HydrophobicContact CH2-CD1 4.02Å; W421-F525 AromaticContact CH2-CE1 3.81Å; W421-F525 HydrophobicContact CH2-CE1 3.81Å; W421-F525 HydrophobicContact CZ3-CD1 4.37Å; W421-F525 AromaticContact CZ3-CE1 3.79Å; W421-F525 HydrophobicContact CZ3-CE1 3.79Å; W421-L526 HydrophobicContact CH2-CD2 4.48Å; W421-L526 HydrophobicContact CZ2-CD2 4.19Å
422	K	98.6	Very high	98.1	Very high	55 Å²	55	39.4 Å²	39.4	24%	0.239	19%	0.19	C	C	.	.	H	α-helix	trans	-61.2	-43.9	172.7	-80.6	-62.9	-54.4	91.4	0	112	Y418 V420 I425 D426 V511	Y418-K422 HydrophobicContact CD1-CG 3.92Å; Y418-K422 HydrophobicContact CE1-CD 4.1Å; Y418-K422 HydrophobicContact CE1-CG 3.52Å; Y418-K422 WeakPolarHBondContact O-CB 3.49Å; Y418-K422 PolarHBondContact O-N 3.48Å; V420-K422 VanDerWaalsContact C-N 3.3Å; V420-K422 PolarHBondContact O-N 3.28Å; K422-I425 PolarHBondContact O-N 3.11Å; K422-D426 IonicContact NZ-OD1 2.73Å; K422-D426 PolarHBondContact NZ-OD1 2.96Å; K422-D426 IonicContact NZ-OD2 3.63Å; K422-D426 PolarHBondContact NZ-OD2 3.41Å; K422-D426 WeakPolarHBondContact O-CB 3.44Å; K422-D426 PolarHBondContact O-N 3.28Å; K422-D426 VanDerWaalsContact O-OD2 3.05Å; K422-V511 HydrophobicContact CD-CG1 3.77Å; K422-V511 HydrophobicContact CD-CG2 4.16Å; K422-V511 HydrophobicContact CG-CG2 4.33Å
423	E	98.6	Very high	98.3	Very high	45 Å²	45	39.4 Å²	39.4	21%	0.21	19%	0.19	C	C	.	.	H	α-helix	trans	-66.2	-38.8	177	-174.2	177.4	141.8	0	0	112.4	F345 K371 S419 V420 I425 D426 R427	F345-E423 WeakPolarHBondContact CE1-OE1 3.11Å; F345-E423 HydrophobicContact CZ-CB 4.49Å; F345-E423 HydrophobicContact CZ-CG 4.15Å; F345-E423 WeakPolarHBondContact CZ-OE1 3.48Å; K371-E423 IonicContact NZ-OE1 2.75Å; K371-E423 PolarHBondContact NZ-OE1 2.67Å; K371-E423 IonicContact NZ-OE2 2.94Å; K371-E423 PolarHBondContact NZ-OE2 3.26Å; S419-E423 PolarHBondContact O-N 2.64Å; V420-E423 PolarHBondContact O-N 2.95Å; V420-E423 VanDerWaalsContact O-N 3.13Å; E423-I425 VanDerWaalsContact C-N 3.31Å; E423-I425 PolarHBondContact O-N 3.3Å; E423-D426 PolarHBondContact O-N 3.09Å; E423-R427 HydrophobicContact CG-CG 4.15Å; E423-R427 WeakPolarHBondContact O-CB 3.22Å; E423-R427 PolarHBondContact O-N 3.47Å; E423-R427 VanDerWaalsContact OE1-CD 3.27Å; E423-R427 WeakPolarHBondContact OE1-CD 3.28Å; E423-R427 IonicContact OE1-CZ 3.51Å; E423-R427 IonicContact OE1-NE 3.21Å; E423-R427 IonicContact OE1-NH1 2.64Å; E423-R427 PolarHBondContact OE1-NH1 2.58Å
424	V	98.8	Very high	98.4	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-56.3	-45.5	173.2	165.8	0	0	0	0	110.9	F345 V420 W421 E428 L429 T432 L504 A507	F345-V424 HydrophobicContact CE2-CG2 4.23Å; V420-V424 HydrophobicContact CG1-CG2 4.43Å; V420-V424 WeakPolarHBondContact O-CG2 3.45Å; V420-V424 PolarHBondContact O-N 2.91Å; W421-V424 PolarHBondContact O-N 3.15Å; V424-E428 PolarHBondContact O-N 3.45Å; V424-E428 VanDerWaalsContact O-N 3.11Å; V424-L429 HydrophobicContact CG1-CB 4.27Å; V424-L429 WeakPolarHBondContact CG1-O 3.41Å; V424-L429 HydrophobicContact CG2-CD1 4.29Å; V424-L429 PolarHBondContact O-N 2.89Å; V424-T432 HydrophobicContact CG2-CG2 3.81Å; V424-L504 HydrophobicContact CG1-CD1 4.28Å; V424-A507 HydrophobicContact CB-CB 4.01Å; V424-A507 HydrophobicContact CG1-CB 3.54Å
425	I	98.8	Very high	98.4	Very high	38 Å²	38	38.4 Å²	38.4	20%	0.195	18%	0.183	C	C	.	.	H	α-helix	trans	-67	-50.2	176.2	-62.4	164.3	0	0	0	111.3	W421 K422 E423 R427 E428 A507 Q508 V511	W421-I425 VanDerWaalsContact O-CG1 3.28Å; W421-I425 WeakPolarHBondContact O-CG1 3.26Å; W421-I425 PolarHBondContact O-N 3.25Å; K422-I425 PolarHBondContact O-N 3.11Å; E423-I425 VanDerWaalsContact C-N 3.31Å; E423-I425 PolarHBondContact O-N 3.3Å; I425-R427 PolarHBondContact O-N 3.28Å; I425-E428 PolarHBondContact O-N 3.42Å; I425-E428 VanDerWaalsContact O-N 3.12Å; I425-A507 HydrophobicContact CD1-CB 4.47Å; I425-A507 HydrophobicContact CG1-CB 4.04Å; I425-Q508 HydrophobicContact CD1-CG 4.21Å; I425-Q508 HydrophobicContact CG1-CG 3.87Å; I425-V511 HydrophobicContact CD1-CB 3.7Å; I425-V511 HydrophobicContact CD1-CG1 4Å; I425-V511 HydrophobicContact CD1-CG2 3.64Å
426	D	98.6	Very high	98.4	Very high	115 Å²	115	39.4 Å²	39.4	62%	0.615	19%	0.187	S	C	*	.	H	α-helix	trans	-69	-18.1	-172.8	-64.3	-25.7	0	0	0	113	K422 E423	K422-D426 IonicContact NZ-OD1 2.73Å; K422-D426 PolarHBondContact NZ-OD1 2.96Å; K422-D426 IonicContact NZ-OD2 3.63Å; K422-D426 PolarHBondContact NZ-OD2 3.41Å; K422-D426 WeakPolarHBondContact O-CB 3.44Å; K422-D426 PolarHBondContact O-N 3.28Å; K422-D426 VanDerWaalsContact O-OD2 3.05Å; E423-D426 PolarHBondContact O-N 3.09Å
427	R	98.6	Very high	98.2	Very high	103 Å²	103	39.7 Å²	39.7	39%	0.389	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.1	0.2	174.8	-69.8	175	60.7	-172.6	-6.5	114	E343 E423 I425 L429	E343-R427 IonicContact OE2-CZ 3.79Å; E343-R427 VanDerWaalsContact OE2-CZ 3.27Å; E343-R427 IonicContact OE2-NH1 3.01Å; E343-R427 PolarHBondContact OE2-NH1 3.27Å; E343-R427 IonicContact OE2-NH2 3.36Å; E343-R427 PolarHBondContact OE2-NH2 3.37Å; E423-R427 HydrophobicContact CG-CG 4.15Å; E423-R427 WeakPolarHBondContact O-CB 3.22Å; E423-R427 PolarHBondContact O-N 3.47Å; E423-R427 VanDerWaalsContact OE1-CD 3.27Å; E423-R427 WeakPolarHBondContact OE1-CD 3.28Å; E423-R427 IonicContact OE1-CZ 3.51Å; E423-R427 IonicContact OE1-NE 3.21Å; E423-R427 IonicContact OE1-NH1 2.64Å; E423-R427 PolarHBondContact OE1-NH1 2.58Å; I425-R427 PolarHBondContact O-N 3.28Å; R427-L429 VanDerWaalsContact C-N 3.34Å; R427-L429 HydrophobicContact CB-CD1 4.32Å; R427-L429 HydrophobicContact CB-CD2 3.8Å; R427-L429 HydrophobicContact CB-CG 3.76Å; R427-L429 PolarHBondContact O-N 3.4Å
428	E	98.5	Very high	97.9	Very high	155 Å²	155	41.3 Å²	41.3	72%	0.724	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.2	47.6	-176.2	-58.1	178.9	158.8	0	0	112.7	V424 I425 E430 L504	V424-E428 PolarHBondContact O-N 3.45Å; V424-E428 VanDerWaalsContact O-N 3.11Å; I425-E428 PolarHBondContact O-N 3.42Å; I425-E428 VanDerWaalsContact O-N 3.12Å; E428-E430 PolarHBondContact O-N 3.33Å; E428-L504 HydrophobicContact CB-CD2 4.34Å
429	L	98.6	Very high	97.8	Very high	12 Å²	12	39.3 Å²	39.3	6%	0.063	19%	0.19	C	C	.	.			trans	-82	113.2	-179.8	-52.8	179.8	0	0	0	110.8	D342 E343 F345 V424 R427 T432 L504	D342-L429 HydrophobicContact CB-CB 4.24Å; D342-L429 HydrophobicContact CB-CD2 3.92Å; E343-L429 HydrophobicContact CB-CD1 3.75Å; F345-L429 HydrophobicContact CE2-CD1 4.09Å; F345-L429 HydrophobicContact CZ-CD1 4.16Å; V424-L429 HydrophobicContact CG1-CB 4.27Å; V424-L429 WeakPolarHBondContact CG1-O 3.41Å; V424-L429 HydrophobicContact CG2-CD1 4.29Å; V424-L429 PolarHBondContact O-N 2.89Å; R427-L429 VanDerWaalsContact C-N 3.34Å; R427-L429 HydrophobicContact CB-CD1 4.32Å; R427-L429 HydrophobicContact CB-CD2 3.8Å; R427-L429 HydrophobicContact CB-CG 3.76Å; R427-L429 PolarHBondContact O-N 3.4Å; L429-T432 WeakPolarHBondContact CB-OG1 3.33Å; L429-L504 WeakPolarHBondContact O-CB 3.33Å
430	E	98.2	Very high	97.6	Very high	124 Å²	124	40.4 Å²	40.4	58%	0.579	19%	0.186	S	C	*	.	S	Bend	trans	-71.2	-40.4	-175.5	-67.8	-65.2	173.4	0	0	113	D342 E428 S503 L504	D342-E430 PolarHBondContact OD2-N 3.32Å; E428-E430 PolarHBondContact O-N 3.33Å; E430-S503 VanDerWaalsContact O-CA 3.27Å; E430-S503 WeakPolarHBondContact O-CA 3.13Å; E430-L504 PolarHBondContact O-N 2.94Å
431	K	97.7	Very high	97.5	Very high	42 Å²	42	40.5 Å²	40.5	18%	0.183	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	104.3	-173.9	179.9	160.7	65.3	179.4	0	110.9	G340 F341 D342 M453 D457 W463 V501	G340-K431 VanDerWaalsContact O-CE 3.28Å; G340-K431 WeakPolarHBondContact O-CE 3.5Å; F341-K431 WeakPolarHBondContact CA-O 3.49Å; F341-K431 WeakPolarHBondContact CB-O 3.32Å; F341-K431 HydrophobicContact CD1-CD 4.41Å; F341-K431 HydrophobicContact CD1-CG 3.61Å; F341-K431 HydrophobicContact CE1-CD 4.38Å; F341-K431 HydrophobicContact CE1-CG 3.91Å; D342-K431 PolarHBondContact N-O 2.96Å; D342-K431 PolarHBondContact OD2-N 3.42Å; K431-M453 HydrophobicContact CD-CE 4Å; K431-D457 IonicContact NZ-OD1 3.88Å; K431-D457 IonicContact NZ-OD2 2.74Å; K431-D457 PolarHBondContact NZ-OD2 3.02Å; K431-W463 HydrophobicContact CD-CZ2 4.13Å; K431-W463 HydrophobicContact CG-CH2 4.28Å; K431-W463 HydrophobicContact CG-CZ2 4.27Å; K431-V501 HydrophobicContact CG-CG1 4.44Å
432	T	98.8	Very high	97.2	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	136.1	-173.9	-68.6	0	0	0	0	112.3	F345 V424 L429 V434 V501 I502	F345-T432 HydrophobicContact CD2-CG2 3.42Å; F345-T432 VanDerWaalsContact CD2-CG2 3.42Å; F345-T432 HydrophobicContact CE2-CG2 3.53Å; V424-T432 HydrophobicContact CG2-CG2 3.81Å; L429-T432 WeakPolarHBondContact CB-OG1 3.33Å; T432-V434 HydrophobicContact CG2-CG2 4.07Å; T432-V501 CarbonylContact O-C 3.24Å; T432-V501 VanDerWaalsContact O-CA 3.31Å; T432-V501 WeakPolarHBondContact O-CA 3.47Å; T432-V501 WeakPolarHBondContact O-CG1 3.38Å; T432-I502 HydrophobicContact CG2-CG2 4.28Å; T432-I502 PolarHBondContact N-O 3.32Å; T432-I502 PolarHBondContact O-N 3.06Å
433	L	98.8	Very high	96.9	Very high	2 Å²	2	41 Å²	41	1%	0.01	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	134.2	170.6	172.7	61.5	0	0	0	110.7	M339 F341 E343 I344 F345 I435 L449 I468 V501	M339-L433 HydrophobicContact CE-CD2 3.65Å; F341-L433 HydrophobicContact CD1-CB 3.9Å; F341-L433 HydrophobicContact CD2-CB 4.09Å; F341-L433 HydrophobicContact CD2-CD2 4.39Å; F341-L433 HydrophobicContact CE1-CB 4.1Å; F341-L433 HydrophobicContact CE2-CB 4.27Å; F341-L433 HydrophobicContact CE2-CD2 4.17Å; F341-L433 HydrophobicContact CG-CB 3.95Å; F341-L433 HydrophobicContact CZ-CB 4.29Å; E343-L433 PolarHBondContact O-N 3.34Å; E343-L433 VanDerWaalsContact O-N 3.12Å; I344-L433 CarbonylContact C-O 3.56Å; I344-L433 WeakPolarHBondContact CA-O 3.27Å; I344-L433 HydrophobicContact CB-CB 4.5Å; I344-L433 HydrophobicContact CD1-CD2 4.19Å; I344-L433 HydrophobicContact CG1-CB 4.18Å; I344-L433 HydrophobicContact CG1-CD2 4.34Å; I344-L433 HydrophobicContact CG2-CB 4.19Å; I344-L433 HydrophobicContact CG2-CD2 3.86Å; I344-L433 HydrophobicContact CG2-CG 3.99Å; F345-L433 PolarHBondContact N-O 3.29Å; L433-I435 HydrophobicContact CD1-CG2 4.22Å; L433-I435 HydrophobicContact CG-CG2 4.4Å; L433-L449 HydrophobicContact CD1-CD2 4.47Å; L433-L449 HydrophobicContact CD2-CD2 3.87Å; L433-I468 HydrophobicContact CD1-CD1 3.49Å; L433-I468 VanDerWaalsContact CD1-CD1 3.49Å; L433-I468 HydrophobicContact CD1-CG1 4.42Å; L433-V501 HydrophobicContact CD1-CG2 4.09Å
434	V	98.8	Very high	96.5	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	133.3	177	-170.7	0	0	0	0	109.8	F345 I347 V420 T432 G499 Y500 I502	F345-V434 WeakPolarHBondContact O-CA 3.23Å; I347-V434 HydrophobicContact CD1-CG1 3.83Å; I347-V434 HydrophobicContact CG1-CG1 4.17Å; V420-V434 HydrophobicContact CG1-CG2 3.78Å; T432-V434 HydrophobicContact CG2-CG2 4.07Å; V434-G499 CarbonylContact O-C 3.27Å; V434-G499 WeakPolarHBondContact O-CA 3.45Å; V434-Y500 HydrophobicContact CB-CD1 4.41Å; V434-Y500 HydrophobicContact CB-CD2 4.31Å; V434-Y500 HydrophobicContact CB-CE1 3.96Å; V434-Y500 HydrophobicContact CB-CE2 3.85Å; V434-Y500 HydrophobicContact CG1-CE1 4.05Å; V434-Y500 HydrophobicContact CG2-CD2 4.35Å; V434-Y500 HydrophobicContact CG2-CE2 3.66Å; V434-Y500 PolarHBondContact N-O 3.05Å; V434-Y500 PolarHBondContact O-N 2.71Å; V434-I502 HydrophobicContact CG2-CG2 4.43Å
435	I	98.1	Very high	96.4	Very high	2 Å²	2	41.3 Å²	41.3	1%	0.01	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	149.6	178.4	57.2	174.3	0	0	0	112.3	F345 M346 I347 M359 L363 L433 F441 I468 I557	F345-I435 WeakPolarHBondContact O-CG1 3.34Å; F345-I435 PolarHBondContact O-N 2.68Å; M346-I435 WeakPolarHBondContact CA-O 3.43Å; M346-I435 HydrophobicContact CB-CD1 4.41Å; M346-I435 HydrophobicContact CB-CG1 4.07Å; M346-I435 HydrophobicContact CG-CG1 4.43Å; I347-I435 PolarHBondContact N-O 2.64Å; M359-I435 HydrophobicContact CE-CD1 4.03Å; L363-I435 HydrophobicContact CD1-CD1 3.91Å; L363-I435 HydrophobicContact CD2-CD1 3.96Å; L433-I435 HydrophobicContact CD1-CG2 4.22Å; L433-I435 HydrophobicContact CG-CG2 4.4Å; I435-F441 HydrophobicContact CD1-CZ 4.25Å; I435-I468 HydrophobicContact CG2-CD1 4.47Å; I435-I557 HydrophobicContact CG2-CD1 3.62Å
436	E	96.8	Very high	96.2	Very high	37 Å²	37	41.2 Å²	41.2	17%	0.173	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	169.8	173.2	-63.5	-171.3	123.1	0	0	112.4	H417 V439 L498	H417-E436 IonicContact NE2-OE1 2.71Å; E436-V439 HydrophobicContact CB-CG1 4.2Å; E436-V439 WeakPolarHBondContact O-CG2 3.12Å; E436-L498 PolarHBondContact N-O 3.01Å; E436-L498 VanDerWaalsContact OE2-CA 3.23Å; E436-L498 WeakPolarHBondContact OE2-CA 3.36Å; E436-L498 PolarHBondContact OE2-N 3.06Å
437	D	94.3	Very high	96	Very high	9 Å²	9	40.6 Å²	40.6	5%	0.048	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.6	-10.5	-170.4	69.7	7.4	0	0	0	116.3	I347 N348 R355 R358 M359	I347-D437 PolarHBondContact O-N 3.21Å; N348-D437 HydrophobicContact CB-CB 4.14Å; N348-D437 PolarHBondContact ND2-OD2 2.93Å; R355-D437 HydrophobicContact CB-CB 3.98Å; R355-D437 VanDerWaalsContact CD-CG 3.41Å; R355-D437 WeakPolarHBondContact CD-OD1 3.24Å; R355-D437 IonicContact CZ-OD1 2.65Å; R355-D437 IonicContact NE-OD1 3.9Å; R355-D437 IonicContact NH1-OD1 2.74Å; R355-D437 PolarHBondContact NH1-OD1 2.85Å; R358-D437 PolarHBondContact NH2-O 3.37Å; M359-D437 WeakPolarHBondContact CG-O 3.48Å
438	D	92.1	Very high	95.9	Very high	35 Å²	35	39 Å²	39	19%	0.187	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.8	25.1	-178.8	56.4	12.1	0	0	0	114.6	R355 T560	R355-D438 IonicContact CZ-OD2 3.25Å; R355-D438 IonicContact NH1-OD2 3.76Å; R355-D438 PolarHBondContact NH1-OD2 3.37Å; R355-D438 IonicContact NH2-OD2 2.91Å; R355-D438 PolarHBondContact NH2-OD2 3.37Å; D438-T560 WeakPolarHBondContact O-CB 3.36Å; D438-T560 VanDerWaalsContact O-CG2 3.24Å; D438-T560 WeakPolarHBondContact O-CG2 3.48Å; D438-T560 PolarHBondContact O-N 2.94Å; D438-T560 PolarHBondContact O-OG1 3.11Å
439	V	95	Very high	95.8	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	165.6	-179.7	-52.1	0	0	0	0	114.1	R358 M359 E436 F441 L498 I557 Y558 T560	R358-V439 VanDerWaalsContact CZ-O 3.32Å; R358-V439 PolarHBondContact NH1-O 2.93Å; R358-V439 PolarHBondContact NH2-O 3.29Å; M359-V439 HydrophobicContact CE-CG2 3.57Å; M359-V439 HydrophobicContact SD-CG2 4.03Å; E436-V439 HydrophobicContact CB-CG1 4.2Å; E436-V439 WeakPolarHBondContact O-CG2 3.12Å; V439-F441 HydrophobicContact CG2-CE2 4.16Å; V439-F441 HydrophobicContact CG2-CZ 4.1Å; V439-L498 HydrophobicContact CG1-CB 3.83Å; V439-L498 HydrophobicContact CG1-CD2 4.31Å; V439-I557 HydrophobicContact CB-CG2 3.4Å; V439-I557 VanDerWaalsContact CB-CG2 3.4Å; V439-I557 HydrophobicContact CG1-CG2 3.75Å; V439-I557 HydrophobicContact CG2-CG2 3.72Å; V439-Y558 CarbonylContact C-O 3.6Å; V439-Y558 VanDerWaalsContact CA-O 3.3Å; V439-Y558 WeakPolarHBondContact CA-O 3.42Å; V439-T560 WeakPolarHBondContact O-CG2 3.43Å
440	R	94.6	Very high	95.8	Very high	74 Å²	74	34.2 Å²	34.2	28%	0.279	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	157.7	168.2	67.1	-178.6	177	144.2	-3.6	110.2	E315 I318 I557 Y558 P559 T560	E315-R440 WeakPolarHBondContact OE1-CD 3.41Å; E315-R440 IonicContact OE1-NH1 2.63Å; E315-R440 IonicContact OE2-CZ 2.7Å; E315-R440 IonicContact OE2-NH1 3.1Å; E315-R440 PolarHBondContact OE2-NH1 2.64Å; I318-R440 HydrophobicContact CD1-CB 3.81Å; I318-R440 VanDerWaalsContact CD1-CD 3.48Å; I318-R440 HydrophobicContact CD1-CG 4.31Å; R440-I557 WeakPolarHBondContact O-CA 3.45Å; R440-Y558 PolarHBondContact N-O 3.16Å; R440-Y558 PolarHBondContact O-N 2.74Å; R440-P559 PolarHBondContact NE-O 3.48Å; R440-T560 HydrophobicContact CB-CG2 4.38Å
441	F	95.7	Very high	95.7	Very high	3 Å²	3	33.3 Å²	33.3	1%	0.013	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	137.7	-165.4	-64.1	-92	0	0	0	111.6	H311 I314 M359 T362 L363 I435 V439 F445 I557	H311-F441 PolarHBondContact CE1-O 3.35Å; H311-F441 VanDerWaalsContact CE1-O 3.31Å; H311-F441 PolarHBondContact ND1-O 2.79Å; I314-F441 HydrophobicContact CD1-CB 4.07Å; M359-F441 HydrophobicContact CE-CE2 3.81Å; M359-F441 HydrophobicContact CE-CZ 3.78Å; M359-F441 HydrophobicContact SD-CE2 4.05Å; T362-F441 HydrophobicContact CG2-CD2 3.47Å; T362-F441 VanDerWaalsContact CG2-CD2 3.47Å; T362-F441 HydrophobicContact CG2-CE2 3.43Å; T362-F441 VanDerWaalsContact CG2-CE2 3.43Å; L363-F441 HydrophobicContact CD2-CE1 4.36Å; L363-F441 HydrophobicContact CD2-CE2 4.46Å; L363-F441 HydrophobicContact CD2-CZ 3.8Å; I435-F441 HydrophobicContact CD1-CZ 4.25Å; V439-F441 HydrophobicContact CG2-CE2 4.16Å; V439-F441 HydrophobicContact CG2-CZ 4.1Å; F441-F445 HydrophobicContact CB-CB 4.05Å; F441-F445 HydrophobicContact CB-CG 4.23Å; F441-F445 HydrophobicContact CD1-CB 4.3Å; F441-F445 AromaticContact CD1-CD1 3.56Å; F441-F445 HydrophobicContact CD1-CD1 3.56Å; F441-F445 AromaticContact CD1-CD2 3.76Å; F441-F445 HydrophobicContact CD1-CD2 3.76Å; F441-F445 AromaticContact CD1-CE1 3.76Å; F441-F445 HydrophobicContact CD1-CE1 3.76Å; F441-F445 AromaticContact CD1-CE2 3.97Å; F441-F445 HydrophobicContact CD1-CE2 3.97Å; F441-F445 AromaticContact CD1-CG 3.57Å; F441-F445 HydrophobicContact CD1-CG 3.57Å; F441-F445 AromaticContact CD1-CZ 3.97Å; F441-F445 HydrophobicContact CD1-CZ 3.97Å; F441-F445 HydrophobicContact CE1-CD1 4.03Å; F441-F445 AromaticContact CE1-CE1 3.79Å; F441-F445 HydrophobicContact CE1-CE1 3.79Å; F441-F445 HydrophobicContact CE1-CE2 4.36Å; F441-F445 HydrophobicContact CE1-CG 4.43Å; F441-F445 AromaticContact CE1-CZ 3.97Å; F441-F445 HydrophobicContact CE1-CZ 3.97Å; F441-F445 HydrophobicContact CG-CD1 4.49Å; F441-F445 HydrophobicContact CG-CG 4.34Å; F441-I557 HydrophobicContact CD1-CD1 3.96Å; F441-I557 HydrophobicContact CD1-CG1 3.92Å; F441-I557 HydrophobicContact CE1-CD1 3.59Å; F441-I557 HydrophobicContact CE1-CG1 4.08Å; F441-I557 HydrophobicContact CZ-CD1 4.44Å
442	E	93.4	Very high	95.7	Very high	47 Å²	47	31.7 Å²	31.7	22%	0.22	14%	0.143	C	C	.	.			trans	-61.3	149.5	172.2	-178.8	47.3	-123.7	0	0	110.9	R196 Q444 F445 K448 L556 Y558	R196-E442 IonicContact NH1-OE1 3.12Å; E442-Q444 PolarHBondContact O-N 3.07Å; E442-F445 WeakPolarHBondContact O-CB 3.18Å; E442-F445 PolarHBondContact O-N 2.99Å; E442-K448 HydrophobicContact CG-CD 4.34Å; E442-K448 IonicContact OE1-NZ 2.66Å; E442-K448 PolarHBondContact OE1-NZ 3.09Å; E442-L556 VanDerWaalsContact CB-O 3.31Å; E442-L556 WeakPolarHBondContact CB-O 3.28Å; E442-L556 PolarHBondContact N-O 2.83Å; E442-Y558 HydrophobicContact CB-CE2 4.16Å
443	H	91.3	Very high	95.7	Very high	19 Å²	19	32 Å²	32	9%	0.088	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	135.1	176	173.6	69.3	0	0	0	110.3	F445 K448	H443-F445 VanDerWaalsContact C-N 3.33Å; H443-K448 WeakPolarHBondContact O-CD 3.28Å; H443-K448 WeakPolarHBondContact O-CE 3.36Å; H443-K448 PolarHBondContact O-NZ 2.89Å
444	Q	91.6	Very high	95.6	Very high	47 Å²	47	35.8 Å²	35.8	22%	0.22	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.6	29.9	-171.8	-57.8	172.8	-46.2	0	0	114.6	E307 E442 K446 K447 K448	E307-Q444 HydrophobicContact CB-CG 4.18Å; E307-Q444 HydrophobicContact CG-CG 4.46Å; E307-Q444 WeakPolarHBondContact OE2-CG 3.43Å; E307-Q444 PolarHBondContact OE2-NE2 2.93Å; E442-Q444 PolarHBondContact O-N 3.07Å; Q444-K446 PolarHBondContact O-N 3.47Å; Q444-K447 HydrophobicContact CB-CB 4.4Å; Q444-K447 HydrophobicContact CB-CD 4.47Å; Q444-K447 PolarHBondContact O-N 3.34Å; Q444-K448 HydrophobicContact CB-CD 4.45Å; Q444-K448 HydrophobicContact CB-CG 4.39Å; Q444-K448 WeakPolarHBondContact O-CB 3.1Å; Q444-K448 WeakPolarHBondContact O-CG 3.45Å; Q444-K448 PolarHBondContact O-N 3.23Å
445	F	95.6	Very high	95.5	Very high	3 Å²	3	36.8 Å²	36.8	1%	0.013	17%	0.17	C	C	.	.	H	α-helix	trans	-41.8	-62.3	179.2	173	-106	0	0	0	114.6	M339 I368 F441 E442 H443 K447 K448 L449 I468 L556 I557	M339-F445 HydrophobicContact CE-CE1 4.25Å; I368-F445 HydrophobicContact CD1-CD1 3.84Å; I368-F445 HydrophobicContact CD1-CE1 3.79Å; F441-F445 HydrophobicContact CB-CB 4.05Å; F441-F445 HydrophobicContact CB-CG 4.23Å; F441-F445 HydrophobicContact CD1-CB 4.3Å; F441-F445 AromaticContact CD1-CD1 3.56Å; F441-F445 HydrophobicContact CD1-CD1 3.56Å; F441-F445 AromaticContact CD1-CD2 3.76Å; F441-F445 HydrophobicContact CD1-CD2 3.76Å; F441-F445 AromaticContact CD1-CE1 3.76Å; F441-F445 HydrophobicContact CD1-CE1 3.76Å; F441-F445 AromaticContact CD1-CE2 3.97Å; F441-F445 HydrophobicContact CD1-CE2 3.97Å; F441-F445 AromaticContact CD1-CG 3.57Å; F441-F445 HydrophobicContact CD1-CG 3.57Å; F441-F445 AromaticContact CD1-CZ 3.97Å; F441-F445 HydrophobicContact CD1-CZ 3.97Å; F441-F445 HydrophobicContact CE1-CD1 4.03Å; F441-F445 AromaticContact CE1-CE1 3.79Å; F441-F445 HydrophobicContact CE1-CE1 3.79Å; F441-F445 HydrophobicContact CE1-CE2 4.36Å; F441-F445 HydrophobicContact CE1-CG 4.43Å; F441-F445 AromaticContact CE1-CZ 3.97Å; F441-F445 HydrophobicContact CE1-CZ 3.97Å; F441-F445 HydrophobicContact CG-CD1 4.49Å; F441-F445 HydrophobicContact CG-CG 4.34Å; E442-F445 WeakPolarHBondContact O-CB 3.18Å; E442-F445 PolarHBondContact O-N 2.99Å; H443-F445 VanDerWaalsContact C-N 3.33Å; F445-K447 PolarHBondContact O-N 2.92Å; F445-K448 PolarHBondContact O-N 2.9Å; F445-K448 VanDerWaalsContact O-N 3.15Å; F445-L449 HydrophobicContact CE1-CD2 4.28Å; F445-L449 HydrophobicContact CE2-CD2 4.25Å; F445-L449 HydrophobicContact CZ-CD2 3.68Å; F445-L449 PolarHBondContact O-N 2.97Å; F445-I468 HydrophobicContact CE2-CD1 4.05Å; F445-I468 HydrophobicContact CZ-CD1 4.07Å; F445-L556 HydrophobicContact CD2-CB 3.8Å; F445-L556 WeakPolarHBondContact CD2-O 3.24Å; F445-L556 HydrophobicContact CE2-CB 3.83Å; F445-I557 HydrophobicContact CD2-CG1 4.13Å; F445-I557 HydrophobicContact CE2-CD1 3.8Å; F445-I557 HydrophobicContact CE2-CG1 3.56Å; F445-I557 HydrophobicContact CZ-CD1 3.91Å; F445-I557 HydrophobicContact CZ-CG1 4.2Å
446	K	95.1	Very high	95.4	Very high	37 Å²	37	36.8 Å²	36.8	16%	0.161	17%	0.17	C	C	.	.	H	α-helix	trans	-52.8	-51.4	-177.8	173	159.2	179.3	174.5	0	111.8	D337 M339 Q366 E367 I368 Q444 K448 L449 M450	D337-K446 IonicContact OD1-NZ 2.72Å; D337-K446 PolarHBondContact OD1-NZ 2.89Å; D337-K446 IonicContact OD2-NZ 2.86Å; D337-K446 PolarHBondContact OD2-NZ 2.72Å; M339-K446 HydrophobicContact CG-CD 4.04Å; M339-K446 HydrophobicContact CG-CG 4.06Å; M339-K446 HydrophobicContact SD-CB 3.93Å; M339-K446 HydrophobicContact SD-CD 3.99Å; M339-K446 HydrophobicContact SD-CG 3.6Å; Q366-K446 WeakPolarHBondContact O-CD 3.24Å; E367-K446 PolarHBondContact O-NZ 2.89Å; I368-K446 HydrophobicContact CG1-CD 4.21Å; Q444-K446 PolarHBondContact O-N 3.47Å; K446-K448 PolarHBondContact O-N 2.78Å; K446-L449 PolarHBondContact O-N 2.88Å; K446-M450 HydrophobicContact CG-SD 3.8Å; K446-M450 WeakPolarHBondContact O-CB 3.47Å; K446-M450 VanDerWaalsContact O-CG 3.26Å; K446-M450 WeakPolarHBondContact O-CG 3.44Å; K446-M450 PolarHBondContact O-N 3.03Å
447	K	94.1	Very high	95.4	Very high	102 Å²	102	38.8 Å²	38.8	44%	0.443	18%	0.182	S	C	.	.	H	α-helix	trans	-61	-42.1	177.8	-178.8	178.3	-176.9	177.6	0	113.3	E307 Q444 F445 K451	E307-K447 WeakPolarHBondContact OE1-CD 3.3Å; E307-K447 IonicContact OE1-NZ 2.58Å; E307-K447 IonicContact OE2-NZ 2.64Å; E307-K447 PolarHBondContact OE2-NZ 2.71Å; Q444-K447 HydrophobicContact CB-CB 4.4Å; Q444-K447 HydrophobicContact CB-CD 4.47Å; Q444-K447 PolarHBondContact O-N 3.34Å; F445-K447 PolarHBondContact O-N 2.92Å; K447-K451 VanDerWaalsContact O-CB 3.26Å; K447-K451 WeakPolarHBondContact O-CB 3.31Å; K447-K451 PolarHBondContact O-N 2.95Å
448	K	96.1	Very high	95.5	Very high	68 Å²	68	45.4 Å²	45.4	30%	0.296	21%	0.212	S	C	.	.	H	α-helix	trans	-68.6	-42.4	178.1	-74.2	173.3	175.1	170.8	0	112	E442 H443 Q444 F445 K446 L452 L556	E442-K448 HydrophobicContact CG-CD 4.34Å; E442-K448 IonicContact OE1-NZ 2.66Å; E442-K448 PolarHBondContact OE1-NZ 3.09Å; H443-K448 WeakPolarHBondContact O-CD 3.28Å; H443-K448 WeakPolarHBondContact O-CE 3.36Å; H443-K448 PolarHBondContact O-NZ 2.89Å; Q444-K448 HydrophobicContact CB-CD 4.45Å; Q444-K448 HydrophobicContact CB-CG 4.39Å; Q444-K448 WeakPolarHBondContact O-CB 3.1Å; Q444-K448 WeakPolarHBondContact O-CG 3.45Å; Q444-K448 PolarHBondContact O-N 3.23Å; F445-K448 PolarHBondContact O-N 2.9Å; F445-K448 VanDerWaalsContact O-N 3.15Å; K446-K448 PolarHBondContact O-N 2.78Å; K448-L452 WeakPolarHBondContact O-CB 3.21Å; K448-L452 PolarHBondContact O-N 3.48Å; K448-L556 HydrophobicContact CB-CD2 3.75Å; K448-L556 HydrophobicContact CD-CD2 4.03Å
449	L	97.8	Very high	95.7	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-67	-47.9	178.1	-179.4	57.1	0	0	0	111.3	M339 F341 L433 F445 K446 K451 L452 M453 I468 V501 L556	M339-L449 HydrophobicContact CE-CD2 4.05Å; F341-L449 HydrophobicContact CE2-CD2 3.9Å; F341-L449 HydrophobicContact CE2-CG 4.29Å; F341-L449 HydrophobicContact CZ-CD1 4.39Å; F341-L449 HydrophobicContact CZ-CD2 3.97Å; F341-L449 HydrophobicContact CZ-CG 4.13Å; L433-L449 HydrophobicContact CD1-CD2 4.47Å; L433-L449 HydrophobicContact CD2-CD2 3.87Å; F445-L449 HydrophobicContact CE1-CD2 4.28Å; F445-L449 HydrophobicContact CE2-CD2 4.25Å; F445-L449 HydrophobicContact CZ-CD2 3.68Å; F445-L449 PolarHBondContact O-N 2.97Å; K446-L449 PolarHBondContact O-N 2.88Å; L449-K451 PolarHBondContact O-N 2.82Å; L449-L452 WeakPolarHBondContact O-CB 3.27Å; L449-L452 PolarHBondContact O-N 2.9Å; L449-M453 HydrophobicContact CD1-CG 4.3Å; L449-M453 HydrophobicContact CD1-SD 4.35Å; L449-M453 WeakPolarHBondContact O-CG 3.47Å; L449-M453 PolarHBondContact O-N 3.28Å; L449-I468 HydrophobicContact CD1-CG2 4.01Å; L449-I468 HydrophobicContact CD2-CD1 4.48Å; L449-V501 HydrophobicContact CD1-CG2 4.47Å; L449-L556 HydrophobicContact CB-CD1 3.97Å; L449-L556 HydrophobicContact CD1-CD1 4.05Å
450	M	97.3	Very high	95.8	Very high	67 Å²	67	54.4 Å²	54.4	33%	0.33	26%	0.261	S	S	.	.	H	α-helix	trans	-57.2	-48.8	176.2	-70.2	174.1	71.8	0	0	110.9	M339 K446 L452 M453 D454	M339-M450 HydrophobicContact CB-CG 4.02Å; M339-M450 HydrophobicContact CB-SD 4.24Å; M339-M450 HydrophobicContact CG-SD 4.45Å; K446-M450 HydrophobicContact CG-SD 3.8Å; K446-M450 WeakPolarHBondContact O-CB 3.47Å; K446-M450 VanDerWaalsContact O-CG 3.26Å; K446-M450 WeakPolarHBondContact O-CG 3.44Å; K446-M450 PolarHBondContact O-N 3.03Å; M450-L452 VanDerWaalsContact C-N 3.29Å; M450-L452 PolarHBondContact O-N 3.4Å; M450-M453 PolarHBondContact O-N 2.66Å; M450-M453 VanDerWaalsContact O-N 3.12Å; M450-D454 VanDerWaalsContact O-CG 3.23Å; M450-D454 PolarHBondContact O-N 3.32Å
451	K	97	Very high	95.9	Very high	105 Å²	105	52.9 Å²	52.9	46%	0.457	26%	0.258	S	S	.	.	H	α-helix	trans	-59.7	-37	177.4	-176.9	59.1	171.9	75.8	0	113.3	K447 L449 D455	K447-K451 VanDerWaalsContact O-CB 3.26Å; K447-K451 WeakPolarHBondContact O-CB 3.31Å; K447-K451 PolarHBondContact O-N 2.95Å; L449-K451 PolarHBondContact O-N 2.82Å; K451-D455 IonicContact NZ-OD1 3.11Å; K451-D455 PolarHBondContact NZ-OD1 2.6Å; K451-D455 IonicContact NZ-OD2 3.66Å; K451-D455 PolarHBondContact NZ-OD2 3.27Å; K451-D455 VanDerWaalsContact O-CG 3.24Å; K451-D455 PolarHBondContact O-N 3Å
452	L	97.7	Very high	95.9	Very high	9 Å²	9	57.2 Å²	57.2	5%	0.047	28%	0.281	C	S	.	.	H	α-helix	trans	-65.7	-45.1	175.3	177.9	61.5	0	0	0	111.3	K448 L449 M450 D455 I456 V485 L488 A552	K448-L452 WeakPolarHBondContact O-CB 3.21Å; K448-L452 PolarHBondContact O-N 3.48Å; L449-L452 WeakPolarHBondContact O-CB 3.27Å; L449-L452 PolarHBondContact O-N 2.9Å; M450-L452 VanDerWaalsContact C-N 3.29Å; M450-L452 PolarHBondContact O-N 3.4Å; L452-D455 PolarHBondContact O-N 2.95Å; L452-I456 HydrophobicContact CD1-CD1 4.15Å; L452-I456 HydrophobicContact CD1-CG1 4.49Å; L452-I456 HydrophobicContact CG-CD1 4.03Å; L452-I456 VanDerWaalsContact O-CG1 3.26Å; L452-I456 WeakPolarHBondContact O-CG1 3.4Å; L452-I456 PolarHBondContact O-N 3.11Å; L452-V485 HydrophobicContact CD1-CG1 4.06Å; L452-L488 HydrophobicContact CD1-CB 4.12Å; L452-L488 HydrophobicContact CD1-CD1 4.19Å; L452-L488 HydrophobicContact CD2-CD1 4.45Å; L452-A552 HydrophobicContact CD2-CB 3.87Å
453	M	97.9	Very high	96.2	Very high	7 Å²	7	56.3 Å²	56.3	3%	0.034	28%	0.276	C	S	.	.	H	α-helix	trans	-66	-39.5	177	-59.9	-44.2	-59.4	0	0	111.7	F341 K431 L449 M450 D455 I456 D457 W463 I466 V501	F341-M453 HydrophobicContact CE1-CG 4.38Å; F341-M453 HydrophobicContact CZ-CG 3.92Å; K431-M453 HydrophobicContact CD-CE 4Å; L449-M453 HydrophobicContact CD1-CG 4.3Å; L449-M453 HydrophobicContact CD1-SD 4.35Å; L449-M453 WeakPolarHBondContact O-CG 3.47Å; L449-M453 PolarHBondContact O-N 3.28Å; M450-M453 PolarHBondContact O-N 2.66Å; M450-M453 VanDerWaalsContact O-N 3.12Å; M453-D455 VanDerWaalsContact C-N 3.31Å; M453-D455 PolarHBondContact O-N 3.07Å; M453-I456 HydrophobicContact CE-CD1 4.33Å; M453-I456 PolarHBondContact O-N 3.19Å; M453-I456 HydrophobicContact SD-CD1 4.2Å; M453-D457 WeakPolarHBondContact O-CB 3.43Å; M453-D457 VanDerWaalsContact O-CG 3.3Å; M453-D457 PolarHBondContact O-N 2.94Å; M453-W463 HydrophobicContact CE-CH2 4.4Å; M453-W463 HydrophobicContact CE-CZ2 3.81Å; M453-I466 HydrophobicContact CE-CD1 3.86Å; M453-I466 HydrophobicContact SD-CD1 4.12Å; M453-V501 HydrophobicContact CE-CG1 4.33Å; M453-V501 HydrophobicContact SD-CG2 4.32Å
454	D	97.2	Very high	96.5	Very high	80 Å²	80	55.4 Å²	55.4	43%	0.428	27%	0.271	S	S	.	.	H	α-helix	trans	-60.6	-38.5	174.7	-66	-26.9	0	0	0	112.1	M450 Q458	M450-D454 VanDerWaalsContact O-CG 3.23Å; M450-D454 PolarHBondContact O-N 3.32Å; D454-Q458 WeakPolarHBondContact O-CB 3.31Å; D454-Q458 VanDerWaalsContact O-CG 3.23Å; D454-Q458 WeakPolarHBondContact O-CG 3.44Å; D454-Q458 PolarHBondContact O-N 2.74Å; D454-Q458 PolarHBondContact O-NE2 3.32Å
455	D	96.8	Very high	96.9	Very high	22 Å²	22	53.1 Å²	53.1	12%	0.118	26%	0.261	C	S	.	.	H	α-helix	trans	-72.1	-36.1	178	-73.5	-18.3	0	0	0	112.1	K451 L452 M453 A459 V485	K451-D455 IonicContact NZ-OD1 3.11Å; K451-D455 PolarHBondContact NZ-OD1 2.6Å; K451-D455 IonicContact NZ-OD2 3.66Å; K451-D455 PolarHBondContact NZ-OD2 3.27Å; K451-D455 VanDerWaalsContact O-CG 3.24Å; K451-D455 PolarHBondContact O-N 3Å; L452-D455 PolarHBondContact O-N 2.95Å; M453-D455 VanDerWaalsContact C-N 3.31Å; M453-D455 PolarHBondContact O-N 3.07Å; D455-A459 VanDerWaalsContact O-CB 3.25Å; D455-A459 WeakPolarHBondContact O-CB 3.26Å; D455-A459 PolarHBondContact O-N 3.49Å; D455-V485 HydrophobicContact CB-CG1 4.15Å
456	I	97.3	Very high	97	Very high	1 Å²	1	53 Å²	53	1%	0.005	26%	0.26	C	S	.	.	H	α-helix	trans	-64.4	-47.8	173.7	-74.5	171	0	0	0	110.7	L452 M453 A459 Q460 L461 W463 I466 V485 L488	L452-I456 HydrophobicContact CD1-CD1 4.15Å; L452-I456 HydrophobicContact CD1-CG1 4.49Å; L452-I456 HydrophobicContact CG-CD1 4.03Å; L452-I456 VanDerWaalsContact O-CG1 3.26Å; L452-I456 WeakPolarHBondContact O-CG1 3.4Å; L452-I456 PolarHBondContact O-N 3.11Å; M453-I456 HydrophobicContact CE-CD1 4.33Å; M453-I456 PolarHBondContact O-N 3.19Å; M453-I456 HydrophobicContact SD-CD1 4.2Å; I456-A459 PolarHBondContact O-N 3.35Å; I456-Q460 PolarHBondContact O-N 3.27Å; I456-Q460 VanDerWaalsContact O-N 3.11Å; I456-L461 HydrophobicContact CG1-CD2 4.37Å; I456-L461 HydrophobicContact CG2-CB 4.28Å; I456-L461 PolarHBondContact O-N 3.23Å; I456-W463 HydrophobicContact CG2-CG 4.3Å; I456-I466 HydrophobicContact CD1-CD1 3.59Å; I456-V485 HydrophobicContact CG1-CG1 3.77Å; I456-L488 HydrophobicContact CD1-CD1 4.3Å; I456-L488 HydrophobicContact CD1-CD2 3.98Å; I456-L488 HydrophobicContact CG1-CD2 4.03Å
457	D	96.1	Very high	97.2	Very high	80 Å²	80	51.2 Å²	51.2	43%	0.428	25%	0.253	S	S	.	.	H	α-helix	trans	-65.1	-39	179.1	-69.8	-12.2	0	0	0	110.5	K431 M453 Q460	K431-D457 IonicContact NZ-OD1 3.88Å; K431-D457 IonicContact NZ-OD2 2.74Å; K431-D457 PolarHBondContact NZ-OD2 3.02Å; M453-D457 WeakPolarHBondContact O-CB 3.43Å; M453-D457 VanDerWaalsContact O-CG 3.3Å; M453-D457 PolarHBondContact O-N 2.94Å; D457-Q460 PolarHBondContact O-N 2.61Å
458	Q	96.7	Very high	97.4	Very high	148 Å²	148	46.4 Å²	46.4	69%	0.692	23%	0.232	S	C	*	.	H	α-helix	trans	-67	-38.6	173.6	-80.6	168.8	73.3	0	0	113.9	D454 Q460	D454-Q458 WeakPolarHBondContact O-CB 3.31Å; D454-Q458 VanDerWaalsContact O-CG 3.23Å; D454-Q458 WeakPolarHBondContact O-CG 3.44Å; D454-Q458 PolarHBondContact O-N 2.74Å; D454-Q458 PolarHBondContact O-NE2 3.32Å; Q458-Q460 PolarHBondContact O-N 2.76Å
459	A	96.5	Very high	97.4	Very high	44 Å²	44	43.1 Å²	43.1	36%	0.364	22%	0.217	S	C	.	.	H	α-helix	trans	-74.9	-9.1	176.8	0	0	0	0	0	113	D455 I456 L461 V485	D455-A459 VanDerWaalsContact O-CB 3.25Å; D455-A459 WeakPolarHBondContact O-CB 3.26Å; D455-A459 PolarHBondContact O-N 3.49Å; I456-A459 PolarHBondContact O-N 3.35Å; A459-L461 PolarHBondContact O-N 2.89Å; A459-V485 HydrophobicContact CB-CG2 3.5Å; A459-V485 VanDerWaalsContact CB-CG2 3.5Å
460	Q	96.2	Very high	97.2	Very high	179 Å²	179	43.4 Å²	43.4	84%	0.836	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.8	39.2	-171.6	-50.1	-167.6	-71.5	0	0	111.9	I456 D457 Q458 D462	I456-Q460 PolarHBondContact O-N 3.27Å; I456-Q460 VanDerWaalsContact O-N 3.11Å; D457-Q460 PolarHBondContact O-N 2.61Å; Q458-Q460 PolarHBondContact O-N 2.76Å; Q460-D462 PolarHBondContact O-N 3.13Å
461	L	97.1	Very high	96.8	Very high	42 Å²	42	40.3 Å²	40.3	22%	0.22	20%	0.203	C	C	.	.			trans	-69.5	129.2	-179.8	179.5	70.3	0	0	0	109.7	I456 A459 W463 V482 V485 L488 F550	I456-L461 HydrophobicContact CG1-CD2 4.37Å; I456-L461 HydrophobicContact CG2-CB 4.28Å; I456-L461 PolarHBondContact O-N 3.23Å; A459-L461 PolarHBondContact O-N 2.89Å; L461-W463 VanDerWaalsContact O-CD1 3.31Å; L461-W463 PolarHBondContact O-N 3.14Å; L461-V482 HydrophobicContact CD1-CG1 3.94Å; L461-V482 HydrophobicContact CD2-CG1 4.01Å; L461-V485 HydrophobicContact CD2-CG2 4.5Å; L461-L488 HydrophobicContact CD2-CD2 3.4Å; L461-L488 VanDerWaalsContact CD2-CD2 3.4Å; L461-F550 HydrophobicContact CD1-CE1 4.46Å; L461-F550 HydrophobicContact CD1-CZ 3.96Å; L461-F550 HydrophobicContact CD2-CD2 4.43Å; L461-F550 HydrophobicContact CD2-CE1 4.36Å; L461-F550 HydrophobicContact CD2-CE2 4.16Å; L461-F550 HydrophobicContact CD2-CZ 4.12Å; L461-F550 HydrophobicContact CG-CE2 4.37Å; L461-F550 HydrophobicContact CG-CZ 4.27Å
462	D	96.4	Very high	96.4	Very high	94 Å²	94	36.2 Å²	36.2	50%	0.503	19%	0.185	S	C	.	.			trans	-82.1	111.6	173.3	-175.8	0.4	0	0	0	109.6	Q460 K548	Q460-D462 PolarHBondContact O-N 3.13Å; D462-K548 HydrophobicContact CB-CD 4.19Å; D462-K548 VanDerWaalsContact CG-CD 3.48Å; D462-K548 WeakPolarHBondContact OD1-CD 3.03Å; D462-K548 WeakPolarHBondContact OD1-CE 3.34Å; D462-K548 IonicContact OD1-NZ 3.24Å; D462-K548 PolarHBondContact OD1-NZ 2.76Å; D462-K548 WeakPolarHBondContact OD2-CE 3.22Å; D462-K548 IonicContact OD2-NZ 3.95Å; D462-K548 PolarHBondContact OD2-NZ 3.15Å
463	W	98.1	Very high	95.7	Very high	28 Å²	28	36.3 Å²	36.3	11%	0.106	19%	0.185	C	C	.	.			trans	-139.4	151	-173.7	69.8	-90.8	0	0	0	112.1	K431 M453 I456 L461 I466 V501 F550	K431-W463 HydrophobicContact CD-CZ2 4.13Å; K431-W463 HydrophobicContact CG-CH2 4.28Å; K431-W463 HydrophobicContact CG-CZ2 4.27Å; M453-W463 HydrophobicContact CE-CH2 4.4Å; M453-W463 HydrophobicContact CE-CZ2 3.81Å; I456-W463 HydrophobicContact CG2-CG 4.3Å; L461-W463 VanDerWaalsContact O-CD1 3.31Å; L461-W463 PolarHBondContact O-N 3.14Å; W463-I466 HydrophobicContact CB-CD1 4.49Å; W463-I466 HydrophobicContact CB-CG1 4.45Å; W463-I466 HydrophobicContact CD2-CD1 3.51Å; W463-I466 HydrophobicContact CD2-CG1 4.06Å; W463-I466 HydrophobicContact CE3-CD1 3.54Å; W463-I466 HydrophobicContact CE3-CG1 3.75Å; W463-I466 HydrophobicContact CG-CD1 3.91Å; W463-I466 HydrophobicContact CG-CG1 4.34Å; W463-I466 HydrophobicContact CZ3-CD1 4.11Å; W463-I466 HydrophobicContact CZ3-CG1 4.47Å; W463-V501 HydrophobicContact CH2-CB 4.49Å; W463-V501 HydrophobicContact CH2-CG1 3.43Å; W463-V501 VanDerWaalsContact CH2-CG1 3.43Å; W463-V501 HydrophobicContact CZ2-CG1 4.33Å; W463-V501 HydrophobicContact CZ3-CB 4.29Å; W463-V501 HydrophobicContact CZ3-CG1 3.66Å; W463-F550 HydrophobicContact CB-CD2 3.77Å; W463-F550 HydrophobicContact CB-CE2 3.77Å
464	E	98.7	Very high	94.6	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.198	C	C	.	.	S	Bend	trans	-129	-29.3	-178.4	-72.3	159.1	-155.9	0	0	113.1	I502 S503 E505 K509 L547 K548	E464-I502 WeakPolarHBondContact O-CA 3.2Å; E464-I502 WeakPolarHBondContact O-CG1 3.06Å; E464-S503 WeakPolarHBondContact CA-OG 3.23Å; E464-S503 PolarHBondContact O-N 3.31Å; E464-S503 VanDerWaalsContact O-N 3.09Å; E464-E505 HydrophobicContact CG-CB 4.44Å; E464-E505 HydrophobicContact CG-CG 4.33Å; E464-K509 IonicContact OE1-NZ 3.5Å; E464-K509 PolarHBondContact OE1-NZ 3.31Å; E464-K509 WeakPolarHBondContact OE2-CD 3.31Å; E464-K509 IonicContact OE2-NZ 2.72Å; E464-K509 PolarHBondContact OE2-NZ 3.06Å; E464-K509 VanDerWaalsContact OE2-NZ 3.11Å; E464-L547 HydrophobicContact CB-CD1 3.94Å; E464-L547 HydrophobicContact CB-CG 4.37Å; E464-L547 WeakPolarHBondContact OE2-CA 3.24Å; E464-K548 HydrophobicContact CB-CB 4.18Å; E464-K548 HydrophobicContact CG-CB 4.14Å; E464-K548 HydrophobicContact CG-CG 4.48Å; E464-K548 PolarHBondContact N-O 3.39Å; E464-K548 WeakPolarHBondContact OE1-CE 3.28Å; E464-K548 WeakPolarHBondContact OE1-CG 3.32Å; E464-K548 IonicContact OE1-NZ 3.94Å; E464-K548 PolarHBondContact OE1-NZ 3.17Å; E464-K548 PolarHBondContact OE2-N 2.82Å
465	L	98.8	Very high	93.3	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	130.1	175.2	-173.6	76	0	0	0	109.7	Y467 Y500 V501 I502 L526 L547 K548 A549 F550	L465-Y467 HydrophobicContact CD2-CE1 4.4Å; L465-Y467 HydrophobicContact CD2-CE2 3.93Å; L465-Y500 HydrophobicContact CD1-CD2 3.45Å; L465-Y500 VanDerWaalsContact CD1-CD2 3.45Å; L465-Y500 HydrophobicContact CD1-CE2 4.11Å; L465-Y500 HydrophobicContact CD1-CG 3.86Å; L465-V501 CarbonylContact C-O 3.47Å; L465-V501 WeakPolarHBondContact CA-O 3.24Å; L465-I502 HydrophobicContact CD1-CB 4.43Å; L465-I502 HydrophobicContact CD1-CG1 4.41Å; L465-L526 HydrophobicContact CD2-CD1 4.45Å; L465-L526 HydrophobicContact CD2-CD2 4.23Å; L465-L547 HydrophobicContact CB-CD2 4.09Å; L465-L547 HydrophobicContact CD2-CD2 4.04Å; L465-K548 PolarHBondContact N-O 2.94Å; L465-K548 VanDerWaalsContact N-O 3.11Å; L465-A549 HydrophobicContact CB-CB 4.29Å; L465-A549 HydrophobicContact CD2-CB 4.31Å; L465-A549 CarbonylContact O-C 3.58Å; L465-A549 WeakPolarHBondContact O-CA 3.49Å; L465-F550 PolarHBondContact O-N 2.87Å
466	I	98.7	Very high	92.1	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	110.1	172.4	-55.7	157.5	0	0	0	108.9	M453 I456 W463 I468 L488 Y500 V501 F550	M453-I466 HydrophobicContact CE-CD1 3.86Å; M453-I466 HydrophobicContact SD-CD1 4.12Å; I456-I466 HydrophobicContact CD1-CD1 3.59Å; W463-I466 HydrophobicContact CB-CD1 4.49Å; W463-I466 HydrophobicContact CB-CG1 4.45Å; W463-I466 HydrophobicContact CD2-CD1 3.51Å; W463-I466 HydrophobicContact CD2-CG1 4.06Å; W463-I466 HydrophobicContact CE3-CD1 3.54Å; W463-I466 HydrophobicContact CE3-CG1 3.75Å; W463-I466 HydrophobicContact CG-CD1 3.91Å; W463-I466 HydrophobicContact CG-CG1 4.34Å; W463-I466 HydrophobicContact CZ3-CD1 4.11Å; W463-I466 HydrophobicContact CZ3-CG1 4.47Å; I466-I468 PolarHBondContact O-N 2.88Å; I466-L488 HydrophobicContact CG2-CD1 3.94Å; I466-Y500 CarbonylContact O-C 3.54Å; I466-Y500 WeakPolarHBondContact O-CA 3.42Å; I466-Y500 WeakPolarHBondContact O-CB 3.49Å; I466-V501 HydrophobicContact CB-CB 4.26Å; I466-V501 PolarHBondContact N-O 3.49Å; I466-V501 PolarHBondContact O-N 3.36Å; I466-F550 CarbonylContact C-O 3.56Å; I466-F550 WeakPolarHBondContact CA-O 2.97Å; I466-F550 HydrophobicContact CG1-CB 4.33Å
467	Y	98.6	Very high	91.1	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	131.2	171.7	-68.4	-75.2	0	0	0	111.1	L465 R470 A491 L526 Y530 F550 S551 A552	L465-Y467 HydrophobicContact CD2-CE1 4.4Å; L465-Y467 HydrophobicContact CD2-CE2 3.93Å; Y467-R470 HydrophobicContact CD1-CB 3.96Å; Y467-R470 HydrophobicContact CD1-CG 4.41Å; Y467-R470 HydrophobicContact CG-CB 4.19Å; Y467-R470 HydrophobicContact CG-CG 4.12Å; Y467-A491 HydrophobicContact CD2-CB 4.06Å; Y467-A491 HydrophobicContact CE2-CB 4.2Å; Y467-L526 HydrophobicContact CE1-CD1 4.27Å; Y467-L526 WeakPolarHBondContact OH-CB 3.4Å; Y467-Y530 AromaticContact CE2-CE1 3.98Å; Y467-Y530 HydrophobicContact CE2-CE1 3.98Å; Y467-Y530 AromaticContact CE2-CZ 4Å; Y467-F550 PolarHBondContact N-O 3.48Å; Y467-S551 CarbonylContact O-C 3.5Å; Y467-S551 WeakPolarHBondContact O-CA 3.36Å; Y467-A552 PolarHBondContact O-N 2.82Å
468	I	97.9	Very high	90.5	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	-19.1	171.3	63.5	163	0	0	0	112.4	L433 I435 F445 L449 I466 G499 V501 L556 I557	L433-I468 HydrophobicContact CD1-CD1 3.49Å; L433-I468 VanDerWaalsContact CD1-CD1 3.49Å; L433-I468 HydrophobicContact CD1-CG1 4.42Å; I435-I468 HydrophobicContact CG2-CD1 4.47Å; F445-I468 HydrophobicContact CE2-CD1 4.05Å; F445-I468 HydrophobicContact CZ-CD1 4.07Å; L449-I468 HydrophobicContact CD1-CG2 4.01Å; L449-I468 HydrophobicContact CD2-CD1 4.48Å; I466-I468 PolarHBondContact O-N 2.88Å; I468-G499 VanDerWaalsContact CG1-C 3.46Å; I468-G499 VanDerWaalsContact CG1-O 3.31Å; I468-G499 WeakPolarHBondContact CG1-O 3.33Å; I468-G499 PolarHBondContact N-O 3.22Å; I468-V501 HydrophobicContact CG2-CG2 4.42Å; I468-L556 HydrophobicContact CB-CB 4.38Å; I468-L556 HydrophobicContact CG2-CD1 4.45Å; I468-L556 PolarHBondContact O-N 2.65Å; I468-I557 HydrophobicContact CD1-CD1 3.42Å; I468-I557 VanDerWaalsContact CD1-CD1 3.42Å; I468-I557 HydrophobicContact CD1-CG1 3.97Å; I468-I557 HydrophobicContact CG1-CD1 4.09Å; I468-I557 HydrophobicContact CG1-CG1 4.35Å; I468-I557 PolarHBondContact O-N 2.89Å
469	G	96.1	Very high	90.1	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	119.4	168	0	0	0	0	0	110.3	L498 G499 I557	G469-L498 WeakPolarHBondContact O-CB 3.12Å; G469-L498 PolarHBondContact O-N 3.33Å; G469-G499 PolarHBondContact N-O 2.87Å; G469-G499 PolarHBondContact O-N 2.85Å; G469-I557 WeakPolarHBondContact CA-O 3.48Å
470	R	93.9	Very high	89.9	Confident	5 Å²	5	47.5 Å²	47.5	2%	0.019	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	179.5	178.7	60.6	159.6	175.5	130.5	10.8	110.8	Y467 E479 S494 S551 L555	Y467-R470 HydrophobicContact CD1-CB 3.96Å; Y467-R470 HydrophobicContact CD1-CG 4.41Å; Y467-R470 HydrophobicContact CG-CB 4.19Å; Y467-R470 HydrophobicContact CG-CG 4.12Å; R470-E479 IonicContact CZ-OE1 2.88Å; R470-E479 IonicContact CZ-OE2 3.07Å; R470-E479 IonicContact NH1-OE1 2.71Å; R470-E479 PolarHBondContact NH1-OE1 3.41Å; R470-E479 IonicContact NH1-OE2 3.02Å; R470-E479 VanDerWaalsContact NH2-CD 3.28Å; R470-E479 IonicContact NH2-OE1 3.25Å; R470-E479 PolarHBondContact NH2-OE1 3.21Å; R470-E479 VanDerWaalsContact NH2-OE1 3.12Å; R470-E479 IonicContact NH2-OE2 3.41Å; R470-E479 PolarHBondContact NH2-OE2 3.2Å; R470-S494 VanDerWaalsContact CD-OG 3.26Å; R470-S494 WeakPolarHBondContact CD-OG 3.34Å; R470-S494 PolarHBondContact NH1-OG 3.16Å; R470-S551 PolarHBondContact NE-OG 2.95Å; R470-S551 PolarHBondContact NH2-OG 2.97Å; R470-L555 HydrophobicContact CG-CD1 4.49Å; R470-L555 HydrophobicContact CG-CD2 3.9Å; R470-L555 WeakPolarHBondContact O-CD1 3.27Å
471	K	90.2	Very high	89.8	Confident	3 Å²	3	40.1 Å²	40.1	1%	0.013	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	106	168.2	-171.2	-176.2	-156.9	154	0	109.9	M473 S494 Y495 W496 Q598	K471-M473 HydrophobicContact CB-SD 4.49Å; K471-M473 HydrophobicContact CD-SD 3.59Å; K471-M473 VanDerWaalsContact CD-SD 3.59Å; K471-M473 HydrophobicContact CG-SD 3.74Å; K471-M473 PolarHBondContact O-N 3.39Å; K471-S494 CarbonylContact O-C 3.55Å; K471-S494 WeakPolarHBondContact O-CA 3.45Å; K471-Y495 WeakPolarHBondContact CA-O 3.44Å; K471-Y495 VanDerWaalsContact CB-O 3.31Å; K471-Y495 WeakPolarHBondContact CB-O 3.3Å; K471-Y495 PolarHBondContact N-O 3.11Å; K471-Y495 PolarHBondContact O-N 2.9Å; K471-W496 HydrophobicContact CB-CB 4.38Å; K471-W496 HydrophobicContact CB-CD2 3.68Å; K471-W496 HydrophobicContact CB-CE3 3.53Å; K471-W496 HydrophobicContact CB-CG 4.04Å; K471-W496 HydrophobicContact CB-CZ3 4.07Å; K471-W496 HydrophobicContact CD-CD2 3.91Å; K471-W496 HydrophobicContact CD-CE3 4.14Å; K471-W496 HydrophobicContact CD-CH2 4.06Å; K471-W496 HydrophobicContact CD-CZ2 3.86Å; K471-W496 HydrophobicContact CD-CZ3 4.18Å; K471-W496 HydrophobicContact CG-CD2 4.35Å; K471-W496 HydrophobicContact CG-CE3 4.17Å; K471-W496 HydrophobicContact CG-CZ3 4.24Å; K471-Q598 VanDerWaalsContact NZ-NE2 3.17Å; K471-Q598 VanDerWaalsContact NZ-OE1 3.14Å
472	R	88.3	Confident	89.7	Confident	19 Å²	19	38.5 Å²	38.5	7%	0.072	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64	124.1	169.8	-180	179.4	168.6	-177.8	-13	110.4	Q474 E477 E479 E553	R472-Q474 VanDerWaalsContact CG-O 3.31Å; R472-Q474 WeakPolarHBondContact CG-O 3.4Å; R472-Q474 PolarHBondContact NE-O 3.29Å; R472-E477 PolarHBondContact NH2-O 3.2Å; R472-E479 VanDerWaalsContact CD-OE2 3.24Å; R472-E479 WeakPolarHBondContact CD-OE2 3.45Å; R472-E479 IonicContact CZ-OE2 2.68Å; R472-E479 IonicContact NE-OE2 2.64Å; R472-E479 PolarHBondContact NE-OE2 3.42Å; R472-E479 IonicContact NH1-OE2 3.23Å; R472-E479 PolarHBondContact NH1-OE2 2.93Å; R472-E553 IonicContact NH1-OE2 3.64Å
473	M	83.1	Confident	89.4	Confident	10 Å²	10	38.3 Å²	38.3	5%	0.049	19%	0.193	C	C	.	.			trans	-98.6	-25.5	-176.9	-63.4	-57.2	-76.3	0	0	113.2	Y401 K471 Y493 Y495	Y401-M473 HydrophobicContact CD1-CE 4.1Å; Y401-M473 HydrophobicContact CD2-CE 3.68Å; Y401-M473 HydrophobicContact CE1-CE 3.75Å; Y401-M473 HydrophobicContact CE2-CE 3.27Å; Y401-M473 HydrophobicContact CG-CE 4.08Å; K471-M473 HydrophobicContact CB-SD 4.49Å; K471-M473 HydrophobicContact CD-SD 3.59Å; K471-M473 VanDerWaalsContact CD-SD 3.59Å; K471-M473 HydrophobicContact CG-SD 3.74Å; K471-M473 PolarHBondContact O-N 3.39Å; M473-Y493 HydrophobicContact CB-CD1 3.75Å; M473-Y493 HydrophobicContact CB-CE1 4.12Å; M473-Y493 HydrophobicContact CB-CG 4.4Å; M473-Y493 WeakPolarHBondContact CB-O 3.35Å; M473-Y493 HydrophobicContact CG-CD1 4.48Å; M473-Y493 PolarHBondContact N-O 3.34Å; M473-Y495 HydrophobicContact CE-CD2 3.79Å; M473-Y495 HydrophobicContact CE-CE2 4.1Å; M473-Y495 HydrophobicContact CE-CG 4.07Å; M473-Y495 HydrophobicContact CG-CD1 3.87Å; M473-Y495 HydrophobicContact CG-CD2 4.43Å; M473-Y495 HydrophobicContact CG-CG 3.75Å; M473-Y495 HydrophobicContact SD-CD2 4.02Å; M473-Y495 HydrophobicContact SD-CG 3.84Å
474	Q	74.9	Confident	89	Confident	65 Å²	65	44.1 Å²	44.1	30%	0.304	23%	0.226	S	C	.	.			trans	-83.2	113.8	168.5	175.1	59.6	-78.4	0	0	110.8	R472 K476	R472-Q474 VanDerWaalsContact CG-O 3.31Å; R472-Q474 WeakPolarHBondContact CG-O 3.4Å; R472-Q474 PolarHBondContact NE-O 3.29Å; Q474-K476 VanDerWaalsContact OE1-N 3.07Å
475	V	70.3	Confident	88.7	Confident	46 Å²	46	44.3 Å²	44.3	28%	0.279	23%	0.227	S	C	.	.			trans	-122.7	4.6	-177.3	-60.4	0	0	0	0	114.7	I601 A605	V475-I601 HydrophobicContact CB-CG2 4.43Å; V475-I601 HydrophobicContact CG1-CG2 3.5Å; V475-I601 VanDerWaalsContact CG1-CG2 3.5Å; V475-I601 HydrophobicContact CG2-CG2 4.08Å; V475-A605 HydrophobicContact CG1-CB 3.6Å
476	K	71.1	Confident	88.4	Confident	185 Å²	185	45.5 Å²	45.5	80%	0.804	24%	0.237	S	C	*	.	S	Bend	trans	-83.4	-34.1	178.6	-66.5	-178	179	177.9	0	113.2	Q474	Q474-K476 VanDerWaalsContact OE1-N 3.07Å
477	E	76.6	Confident	88.2	Confident	135 Å²	135	48.2 Å²	48.2	63%	0.631	25%	0.252	S	S	*	.	S	Bend	trans	-128.3	140.3	-172.6	-70.8	167.8	-157.9	0	0	109	R472	R472-E477 PolarHBondContact NH2-O 3.2Å
478	P	81.8	Confident	88.1	Confident	60 Å²	60	48.2 Å²	48.2	39%	0.39	25%	0.252	S	S	.	.	P	Polyproline II helix	trans	-59	145.5	174.3	25.8	-32.9	0	0	0	111.3	N607 E609	P478-N607 WeakPolarHBondContact CB-OD1 3.28Å; P478-E609 HydrophobicContact CB-CB 4.29Å; P478-E609 HydrophobicContact CB-CG 3.89Å; P478-E609 VanDerWaalsContact CG-CD 3.4Å; P478-E609 HydrophobicContact CG-CG 4.03Å; P478-E609 WeakPolarHBondContact CG-OE1 3.42Å; P478-E609 WeakPolarHBondContact CG-OE2 3.39Å
479	E	89.4	Confident	88	Confident	7 Å²	7	48.2 Å²	48.2	3%	0.033	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-78	139.3	167.8	-73.9	168.7	138.7	0	0	108.9	R470 R472 A481 V489 D492 N607	R470-E479 IonicContact CZ-OE1 2.88Å; R470-E479 IonicContact CZ-OE2 3.07Å; R470-E479 IonicContact NH1-OE1 2.71Å; R470-E479 PolarHBondContact NH1-OE1 3.41Å; R470-E479 IonicContact NH1-OE2 3.02Å; R470-E479 VanDerWaalsContact NH2-CD 3.28Å; R470-E479 IonicContact NH2-OE1 3.25Å; R470-E479 PolarHBondContact NH2-OE1 3.21Å; R470-E479 VanDerWaalsContact NH2-OE1 3.12Å; R470-E479 IonicContact NH2-OE2 3.41Å; R470-E479 PolarHBondContact NH2-OE2 3.2Å; R472-E479 VanDerWaalsContact CD-OE2 3.24Å; R472-E479 WeakPolarHBondContact CD-OE2 3.45Å; R472-E479 IonicContact CZ-OE2 2.68Å; R472-E479 IonicContact NE-OE2 2.64Å; R472-E479 PolarHBondContact NE-OE2 3.42Å; R472-E479 IonicContact NH1-OE2 3.23Å; R472-E479 PolarHBondContact NH1-OE2 2.93Å; E479-A481 PolarHBondContact O-N 3.01Å; E479-V489 HydrophobicContact CB-CB 3.96Å; E479-V489 HydrophobicContact CB-CG1 4.49Å; E479-V489 HydrophobicContact CB-CG2 3.91Å; E479-D492 HydrophobicContact CG-CB 3.98Å; E479-D492 WeakPolarHBondContact OE1-CB 3.34Å; E479-D492 PolarHBondContact OE1-N 3.14Å; E479-N607 PolarHBondContact N-ND2 3.32Å; E479-N607 VanDerWaalsContact N-ND2 3.11Å; E479-N607 PolarHBondContact O-ND2 3.18Å
480	K	92	Very high	88	Confident	119 Å²	119	51.2 Å²	51.2	52%	0.517	27%	0.266	S	S	.	.	P	Polyproline II helix	trans	-67.2	123.1	-173.3	177.9	179	162.5	-139	0	110.9	V489 E490	K480-V489 CarbonylContact O-C 3.59Å; K480-V489 VanDerWaalsContact O-CA 3.28Å; K480-V489 WeakPolarHBondContact O-CA 3.44Å; K480-V489 WeakPolarHBondContact O-CB 3.42Å; K480-E490 WeakPolarHBondContact CD-OE1 3.34Å; K480-E490 WeakPolarHBondContact CE-OE1 3.28Å; K480-E490 IonicContact NZ-OE1 2.8Å; K480-E490 PolarHBondContact NZ-OE1 3.16Å; K480-E490 IonicContact NZ-OE2 2.65Å; K480-E490 PolarHBondContact O-N 2.64Å
481	A	94.1	Very high	88	Confident	25 Å²	25	51 Å²	51	21%	0.207	27%	0.266	C	S	.	.	B	Isolated β-bridge	trans	-64.6	143.4	174.2	0	0	0	0	0	112	E479	E479-A481 PolarHBondContact O-N 3.01Å
482	V	94.7	Very high	88.2	Confident	7 Å²	7	52.7 Å²	52.7	4%	0.042	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-80.2	124.5	175.8	-178.1	0	0	0	0	109.3	L461 N484 V485 L488 F550	L461-V482 HydrophobicContact CD1-CG1 3.94Å; L461-V482 HydrophobicContact CD2-CG1 4.01Å; V482-N484 PolarHBondContact O-N 2.93Å; V482-V485 HydrophobicContact CB-CB 4.4Å; V482-V485 HydrophobicContact CG1-CB 4.24Å; V482-V485 HydrophobicContact CG1-CG2 4.18Å; V482-V485 PolarHBondContact O-N 3.16Å; V482-L488 HydrophobicContact CB-CB 4.28Å; V482-L488 HydrophobicContact CB-CD2 4.11Å; V482-L488 HydrophobicContact CB-CG 4.37Å; V482-L488 HydrophobicContact CG1-CD2 4.31Å; V482-L488 HydrophobicContact CG2-CB 4.22Å; V482-L488 HydrophobicContact CG2-CD2 3.8Å; V482-L488 HydrophobicContact CG2-CG 3.87Å; V482-L488 PolarHBondContact N-O 2.89Å; V482-F550 HydrophobicContact CG2-CD1 3.51Å; V482-F550 HydrophobicContact CG2-CE1 3.64Å
483	P	89.8	Confident	88.4	Confident	90 Å²	90	52.3 Å²	52.3	58%	0.584	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	139.4	177.2	-24.9	35	0	0	0	112	V485	P483-V485 PolarHBondContact O-N 3.48Å; P483-V485 VanDerWaalsContact O-N 3.08Å
484	N	89.7	Confident	88.8	Confident	151 Å²	151	51.9 Å²	51.9	81%	0.807	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.4	-4.9	178.5	-46.8	-42.6	0	0	0	116.8	V482	V482-N484 PolarHBondContact O-N 2.93Å
485	V	93.8	Very high	89.5	Confident	3 Å²	3	49.2 Å²	49.2	2%	0.018	26%	0.258	C	S	.	.			trans	-111.8	111.5	173.7	-173.1	0	0	0	0	109.6	L452 D455 I456 A459 L461 V482 P483 L488	L452-V485 HydrophobicContact CD1-CG1 4.06Å; D455-V485 HydrophobicContact CB-CG1 4.15Å; I456-V485 HydrophobicContact CG1-CG1 3.77Å; A459-V485 HydrophobicContact CB-CG2 3.5Å; A459-V485 VanDerWaalsContact CB-CG2 3.5Å; L461-V485 HydrophobicContact CD2-CG2 4.5Å; V482-V485 HydrophobicContact CB-CB 4.4Å; V482-V485 HydrophobicContact CG1-CB 4.24Å; V482-V485 HydrophobicContact CG1-CG2 4.18Å; V482-V485 PolarHBondContact O-N 3.16Å; P483-V485 PolarHBondContact O-N 3.48Å; P483-V485 VanDerWaalsContact O-N 3.08Å; V485-L488 HydrophobicContact CB-CB 4.2Å; V485-L488 HydrophobicContact CB-CD2 4.24Å; V485-L488 HydrophobicContact CG1-CB 3.71Å; V485-L488 HydrophobicContact CG1-CD2 3.84Å; V485-L488 HydrophobicContact CG1-CG 4.4Å
486	A	91.5	Very high	90.4	Very high	26 Å²	26	48.9 Å²	48.9	22%	0.215	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	147.4	178.3	0	0	0	0	0	111.3	L488	A486-L488 PolarHBondContact O-N 3.34Å
487	N	93.9	Very high	91.3	Very high	56 Å²	56	40.3 Å²	40.3	30%	0.299	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.9	25.8	179.3	-43.6	-69	0	0	0	115.6	A552 E553	N487-A552 CarbonylContact O-C 3.56Å; N487-A552 WeakPolarHBondContact O-CA 3.41Å; N487-E553 CarbonylContact C-O 3.52Å; N487-E553 WeakPolarHBondContact CA-O 3.45Å; N487-E553 VanDerWaalsContact CB-O 3.25Å; N487-E553 WeakPolarHBondContact CB-O 3.48Å; N487-E553 PolarHBondContact O-N 3.5Å
488	L	96.6	Very high	92.2	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.005	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	137.5	176.2	-165.3	73.7	0	0	0	111.6	L452 I456 L461 I466 V482 V485 A486 F550 S551	L452-L488 HydrophobicContact CD1-CB 4.12Å; L452-L488 HydrophobicContact CD1-CD1 4.19Å; L452-L488 HydrophobicContact CD2-CD1 4.45Å; I456-L488 HydrophobicContact CD1-CD1 4.3Å; I456-L488 HydrophobicContact CD1-CD2 3.98Å; I456-L488 HydrophobicContact CG1-CD2 4.03Å; L461-L488 HydrophobicContact CD2-CD2 3.4Å; L461-L488 VanDerWaalsContact CD2-CD2 3.4Å; I466-L488 HydrophobicContact CG2-CD1 3.94Å; V482-L488 HydrophobicContact CB-CB 4.28Å; V482-L488 HydrophobicContact CB-CD2 4.11Å; V482-L488 HydrophobicContact CB-CG 4.37Å; V482-L488 HydrophobicContact CG1-CD2 4.31Å; V482-L488 HydrophobicContact CG2-CB 4.22Å; V482-L488 HydrophobicContact CG2-CD2 3.8Å; V482-L488 HydrophobicContact CG2-CG 3.87Å; V482-L488 PolarHBondContact N-O 2.89Å; V485-L488 HydrophobicContact CB-CB 4.2Å; V485-L488 HydrophobicContact CB-CD2 4.24Å; V485-L488 HydrophobicContact CG1-CB 3.71Å; V485-L488 HydrophobicContact CG1-CD2 3.84Å; V485-L488 HydrophobicContact CG1-CG 4.4Å; A486-L488 PolarHBondContact O-N 3.34Å; L488-F550 HydrophobicContact CD1-CB 3.91Å; L488-F550 HydrophobicContact CD2-CB 4.28Å; L488-F550 HydrophobicContact CD2-CD1 4.31Å; L488-F550 HydrophobicContact CD2-CG 4.3Å; L488-F550 HydrophobicContact CG-CB 4.14Å; L488-S551 WeakPolarHBondContact CD1-O 3.39Å
489	V	96.1	Very high	93	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	153.5	176	-58.7	0	0	0	0	111.4	E479 K480 A491 F550 S551 E553 A610	E479-V489 HydrophobicContact CB-CB 3.96Å; E479-V489 HydrophobicContact CB-CG1 4.49Å; E479-V489 HydrophobicContact CB-CG2 3.91Å; K480-V489 CarbonylContact O-C 3.59Å; K480-V489 VanDerWaalsContact O-CA 3.28Å; K480-V489 WeakPolarHBondContact O-CA 3.44Å; K480-V489 WeakPolarHBondContact O-CB 3.42Å; V489-A491 PolarHBondContact O-N 3.2Å; V489-F550 CarbonylContact O-C 2.93Å; V489-F550 VanDerWaalsContact O-CA 3.28Å; V489-F550 WeakPolarHBondContact O-CA 3.24Å; V489-F550 WeakPolarHBondContact O-CB 3.35Å; V489-S551 PolarHBondContact N-O 2.99Å; V489-S551 PolarHBondContact O-N 3.27Å; V489-E553 HydrophobicContact CG1-CB 3.89Å; V489-E553 HydrophobicContact CG1-CG 4.21Å; V489-E553 HydrophobicContact CG2-CB 4.19Å; V489-A610 HydrophobicContact CG1-CB 4.43Å
490	E	96.1	Very high	93.4	Very high	62 Å²	62	31 Å²	31	29%	0.29	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62	127.4	165.5	-70.5	174.7	-161.7	0	0	109.4	K480 F550	K480-E490 WeakPolarHBondContact CD-OE1 3.34Å; K480-E490 WeakPolarHBondContact CE-OE1 3.28Å; K480-E490 IonicContact NZ-OE1 2.8Å; K480-E490 PolarHBondContact NZ-OE1 3.16Å; K480-E490 IonicContact NZ-OE2 2.65Å; K480-E490 PolarHBondContact O-N 2.64Å; E490-F550 HydrophobicContact CG-CD1 4.35Å; E490-F550 HydrophobicContact CG-CE1 4.09Å
491	A	94.8	Very high	93.7	Very high	2 Å²	2	25.4 Å²	25.4	2%	0.017	14%	0.142	C	C	.	.			trans	-72.8	133.1	-177.3	0	0	0	0	0	111.2	Y467 V489 Y530 K532 A549	Y467-A491 HydrophobicContact CD2-CB 4.06Å; Y467-A491 HydrophobicContact CE2-CB 4.2Å; V489-A491 PolarHBondContact O-N 3.2Å; A491-Y530 HydrophobicContact CB-CE2 4.04Å; A491-Y530 WeakPolarHBondContact O-CE2 3.46Å; A491-K532 WeakPolarHBondContact O-CE 3.32Å; A491-A549 HydrophobicContact CB-CB 4.12Å; A491-A549 PolarHBondContact N-O 3.14Å
492	D	93.1	Very high	94	Very high	38 Å²	38	24.2 Å²	24.2	20%	0.203	13%	0.132	C	C	.	.			trans	-102.4	-166.6	168.3	-144.3	-74.3	0	0	0	111.3	E479 S494 Y530 K532	E479-D492 HydrophobicContact CG-CB 3.98Å; E479-D492 WeakPolarHBondContact OE1-CB 3.34Å; E479-D492 PolarHBondContact OE1-N 3.14Å; D492-S494 PolarHBondContact O-N 3.46Å; D492-S494 PolarHBondContact O-OG 3.3Å; D492-Y530 WeakPolarHBondContact O-CE2 3.06Å; D492-Y530 PolarHBondContact O-OH 3.05Å; D492-K532 IonicContact OD2-NZ 3.68Å; D492-K532 PolarHBondContact OD2-NZ 3.27Å
493	Y	93.2	Very high	94.2	Very high	10 Å²	10	24.5 Å²	24.5	4%	0.039	14%	0.135	C	C	.	.	S	Bend	trans	-57.8	123.6	179.3	-178.5	-134.3	0	0	0	111.7	Y401 M473 Y495 E524 P527 H533 P534	Y401-Y493 AromaticContact CE2-CE1 3.65Å; Y401-Y493 HydrophobicContact CE2-CE1 3.65Å; Y401-Y493 AromaticContact CZ-CE1 3.97Å; Y401-Y493 WeakPolarHBondContact OH-CE1 3.46Å; M473-Y493 HydrophobicContact CB-CD1 3.75Å; M473-Y493 HydrophobicContact CB-CE1 4.12Å; M473-Y493 HydrophobicContact CB-CG 4.4Å; M473-Y493 WeakPolarHBondContact CB-O 3.35Å; M473-Y493 HydrophobicContact CG-CD1 4.48Å; M473-Y493 PolarHBondContact N-O 3.34Å; Y493-Y495 HydrophobicContact CE1-CE1 4.48Å; Y493-Y495 HydrophobicContact CE2-CD1 4.39Å; Y493-Y495 HydrophobicContact CE2-CE1 4.11Å; Y493-Y495 AromaticContact CZ-CE1 3.7Å; Y493-Y495 VanDerWaalsContact OH-CE1 3.26Å; Y493-Y495 WeakPolarHBondContact OH-CE1 3.45Å; Y493-E524 PolarHBondContact OH-OE2 3.46Å; Y493-P527 HydrophobicContact CD2-CB 3.79Å; Y493-P527 HydrophobicContact CD2-CG 3.9Å; Y493-P527 HydrophobicContact CE2-CB 4.35Å; Y493-P527 HydrophobicContact CE2-CG 4.31Å; Y493-H533 AromaticContact CE2-CD2 3.84Å; Y493-P534 HydrophobicContact CD1-CG 3.85Å; Y493-P534 HydrophobicContact CD2-CG 4.47Å; Y493-P534 HydrophobicContact CE1-CG 3.5Å; Y493-P534 VanDerWaalsContact CE1-CG 3.5Å; Y493-P534 VanDerWaalsContact CE2-CD 3.47Å; Y493-P534 HydrophobicContact CE2-CG 4.18Å; Y493-P534 HydrophobicContact CG-CG 4.31Å
494	S	91.6	Very high	94.6	Very high	1 Å²	1	21 Å²	21	1%	0.007	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	138.7	-164.2	-62.9	0	0	0	0	109.9	R470 K471 D492 P527 Y530	R470-S494 VanDerWaalsContact CD-OG 3.26Å; R470-S494 WeakPolarHBondContact CD-OG 3.34Å; R470-S494 PolarHBondContact NH1-OG 3.16Å; K471-S494 CarbonylContact O-C 3.55Å; K471-S494 WeakPolarHBondContact O-CA 3.45Å; D492-S494 PolarHBondContact O-N 3.46Å; D492-S494 PolarHBondContact O-OG 3.3Å; S494-P527 WeakPolarHBondContact O-CG 3.41Å; S494-Y530 PolarHBondContact OG-OH 3.36Å
495	Y	89.6	Confident	95	Very high	9 Å²	9	17.9 Å²	17.9	4%	0.035	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	167.1	168.1	-90	18.9	0	0	0	109.5	D399 Y401 K471 M473 Y493 E524	D399-Y495 PolarHBondContact OD2-OH 3.04Å; Y401-Y495 HydrophobicContact CD2-CE1 4.34Å; Y401-Y495 AromaticContact CD2-CE2 3.81Å; Y401-Y495 HydrophobicContact CD2-CE2 3.81Å; Y401-Y495 AromaticContact CD2-CZ 3.61Å; Y401-Y495 WeakPolarHBondContact CD2-OH 3.33Å; Y401-Y495 HydrophobicContact CE2-CE1 4.21Å; Y401-Y495 HydrophobicContact CE2-CE2 4.29Å; Y401-Y495 AromaticContact CE2-CZ 3.92Å; K471-Y495 WeakPolarHBondContact CA-O 3.44Å; K471-Y495 VanDerWaalsContact CB-O 3.31Å; K471-Y495 WeakPolarHBondContact CB-O 3.3Å; K471-Y495 PolarHBondContact N-O 3.11Å; K471-Y495 PolarHBondContact O-N 2.9Å; M473-Y495 HydrophobicContact CE-CD2 3.79Å; M473-Y495 HydrophobicContact CE-CE2 4.1Å; M473-Y495 HydrophobicContact CE-CG 4.07Å; M473-Y495 HydrophobicContact CG-CD1 3.87Å; M473-Y495 HydrophobicContact CG-CD2 4.43Å; M473-Y495 HydrophobicContact CG-CG 3.75Å; M473-Y495 HydrophobicContact SD-CD2 4.02Å; M473-Y495 HydrophobicContact SD-CG 3.84Å; Y493-Y495 HydrophobicContact CE1-CE1 4.48Å; Y493-Y495 HydrophobicContact CE2-CD1 4.39Å; Y493-Y495 HydrophobicContact CE2-CE1 4.11Å; Y493-Y495 AromaticContact CZ-CE1 3.7Å; Y493-Y495 VanDerWaalsContact OH-CE1 3.26Å; Y493-Y495 WeakPolarHBondContact OH-CE1 3.45Å; Y495-E524 HydrophobicContact CE1-CG 4.5Å; Y495-E524 PolarHBondContact OH-OE1 3.47Å
496	W	90.1	Very high	95.2	Very high	40 Å²	40	17.7 Å²	17.7	15%	0.152	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	61.8	144.1	-177.5	-52.7	-21.9	0	0	0	114.3	K471 L498 D523 P559 Y562	K471-W496 HydrophobicContact CB-CB 4.38Å; K471-W496 HydrophobicContact CB-CD2 3.68Å; K471-W496 HydrophobicContact CB-CE3 3.53Å; K471-W496 HydrophobicContact CB-CG 4.04Å; K471-W496 HydrophobicContact CB-CZ3 4.07Å; K471-W496 HydrophobicContact CD-CD2 3.91Å; K471-W496 HydrophobicContact CD-CE3 4.14Å; K471-W496 HydrophobicContact CD-CH2 4.06Å; K471-W496 HydrophobicContact CD-CZ2 3.86Å; K471-W496 HydrophobicContact CD-CZ3 4.18Å; K471-W496 HydrophobicContact CG-CD2 4.35Å; K471-W496 HydrophobicContact CG-CE3 4.17Å; K471-W496 HydrophobicContact CG-CZ3 4.24Å; W496-L498 HydrophobicContact CB-CD2 4.23Å; W496-L498 HydrophobicContact CB-CG 4.01Å; W496-L498 HydrophobicContact CE3-CD1 4.09Å; W496-D523 PolarHBondContact N-OD2 2.83Å; W496-P559 HydrophobicContact CE3-CG 4.43Å; W496-P559 HydrophobicContact CH2-CG 4.3Å; W496-P559 HydrophobicContact CZ3-CG 3.83Å; W496-Y562 AromaticContact CH2-CD1 3.93Å; W496-Y562 HydrophobicContact CH2-CD1 3.93Å; W496-Y562 HydrophobicContact CH2-CE1 4.23Å; W496-Y562 HydrophobicContact CZ3-CD1 4.3Å; W496-Y562 HydrophobicContact CZ3-CE1 4.13Å
497	T	89.8	Confident	95.6	Very high	4 Å²	4	16.5 Å²	16.5	3%	0.025	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	37.1	-176.4	-45.1	0	0	0	0	111.1	G499 Y500 L526	T497-G499 PolarHBondContact O-N 2.97Å; T497-Y500 HydrophobicContact CG2-CD1 3.52Å; T497-Y500 HydrophobicContact CG2-CE1 3.43Å; T497-Y500 VanDerWaalsContact CG2-CE1 3.43Å; T497-L526 HydrophobicContact CG2-CD1 3.94Å
498	L	94.9	Very high	95.8	Very high	8 Å²	8	18.6 Å²	18.6	4%	0.042	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-49.5	-37.7	-174.2	-51.3	173.6	0	0	0	113.4	E436 V439 G469 W496 I557 P559	E436-L498 PolarHBondContact N-O 3.01Å; E436-L498 VanDerWaalsContact OE2-CA 3.23Å; E436-L498 WeakPolarHBondContact OE2-CA 3.36Å; E436-L498 PolarHBondContact OE2-N 3.06Å; V439-L498 HydrophobicContact CG1-CB 3.83Å; V439-L498 HydrophobicContact CG1-CD2 4.31Å; G469-L498 WeakPolarHBondContact O-CB 3.12Å; G469-L498 PolarHBondContact O-N 3.33Å; W496-L498 HydrophobicContact CB-CD2 4.23Å; W496-L498 HydrophobicContact CB-CG 4.01Å; W496-L498 HydrophobicContact CE3-CD1 4.09Å; L498-I557 HydrophobicContact CB-CG2 4.42Å; L498-P559 HydrophobicContact CD1-CB 4.43Å; L498-P559 HydrophobicContact CD1-CG 4.45Å; L498-P559 HydrophobicContact CD2-CB 4.39Å
499	G	97.7	Very high	95.9	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-174.3	147.2	167.6	0	0	0	0	0	113.6	V434 I468 G469 T497	V434-G499 CarbonylContact O-C 3.27Å; V434-G499 WeakPolarHBondContact O-CA 3.45Å; I468-G499 VanDerWaalsContact CG1-C 3.46Å; I468-G499 VanDerWaalsContact CG1-O 3.31Å; I468-G499 WeakPolarHBondContact CG1-O 3.33Å; I468-G499 PolarHBondContact N-O 3.22Å; G469-G499 PolarHBondContact N-O 2.87Å; G469-G499 PolarHBondContact O-N 2.85Å; T497-G499 PolarHBondContact O-N 2.97Å
500	Y	98.7	Very high	96	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	155.1	179.1	59.7	-89.7	0	0	0	111.5	H417 W421 V434 L465 I466 T497 I502	H417-Y500 AromaticContact CE1-CE1 3.77Å; H417-Y500 AromaticContact ND1-CE1 3.51Å; H417-Y500 AromaticContact ND1-CZ 3.75Å; H417-Y500 PolarHBondContact ND1-OH 2.99Å; W421-Y500 AromaticContact NE1-CZ 3.81Å; W421-Y500 PolarHBondContact NE1-OH 2.84Å; V434-Y500 HydrophobicContact CB-CD1 4.41Å; V434-Y500 HydrophobicContact CB-CD2 4.31Å; V434-Y500 HydrophobicContact CB-CE1 3.96Å; V434-Y500 HydrophobicContact CB-CE2 3.85Å; V434-Y500 HydrophobicContact CG1-CE1 4.05Å; V434-Y500 HydrophobicContact CG2-CD2 4.35Å; V434-Y500 HydrophobicContact CG2-CE2 3.66Å; V434-Y500 PolarHBondContact N-O 3.05Å; V434-Y500 PolarHBondContact O-N 2.71Å; L465-Y500 HydrophobicContact CD1-CD2 3.45Å; L465-Y500 VanDerWaalsContact CD1-CD2 3.45Å; L465-Y500 HydrophobicContact CD1-CE2 4.11Å; L465-Y500 HydrophobicContact CD1-CG 3.86Å; I466-Y500 CarbonylContact O-C 3.54Å; I466-Y500 WeakPolarHBondContact O-CA 3.42Å; I466-Y500 WeakPolarHBondContact O-CB 3.49Å; T497-Y500 HydrophobicContact CG2-CD1 3.52Å; T497-Y500 HydrophobicContact CG2-CE1 3.43Å; T497-Y500 VanDerWaalsContact CG2-CE1 3.43Å; Y500-I502 HydrophobicContact CD2-CB 3.95Å; Y500-I502 HydrophobicContact CD2-CG2 4.43Å; Y500-I502 HydrophobicContact CE2-CB 3.86Å; Y500-I502 HydrophobicContact CE2-CD1 4.27Å; Y500-I502 HydrophobicContact CE2-CG2 4Å
501	V	98.8	Very high	96.1	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	140.9	162.3	-173.5	0	0	0	0	108.2	F341 K431 T432 L433 L449 M453 W463 L465 I466 I468	F341-V501 HydrophobicContact CD1-CG1 4.26Å; F341-V501 HydrophobicContact CE1-CB 4.37Å; F341-V501 HydrophobicContact CE1-CG1 3.62Å; F341-V501 HydrophobicContact CE1-CG2 3.77Å; F341-V501 HydrophobicContact CZ-CG2 4.03Å; K431-V501 HydrophobicContact CG-CG1 4.44Å; T432-V501 CarbonylContact O-C 3.24Å; T432-V501 VanDerWaalsContact O-CA 3.31Å; T432-V501 WeakPolarHBondContact O-CA 3.47Å; T432-V501 WeakPolarHBondContact O-CG1 3.38Å; L433-V501 HydrophobicContact CD1-CG2 4.09Å; L449-V501 HydrophobicContact CD1-CG2 4.47Å; M453-V501 HydrophobicContact CE-CG1 4.33Å; M453-V501 HydrophobicContact SD-CG2 4.32Å; W463-V501 HydrophobicContact CH2-CB 4.49Å; W463-V501 HydrophobicContact CH2-CG1 3.43Å; W463-V501 VanDerWaalsContact CH2-CG1 3.43Å; W463-V501 HydrophobicContact CZ2-CG1 4.33Å; W463-V501 HydrophobicContact CZ3-CB 4.29Å; W463-V501 HydrophobicContact CZ3-CG1 3.66Å; L465-V501 CarbonylContact C-O 3.47Å; L465-V501 WeakPolarHBondContact CA-O 3.24Å; I466-V501 HydrophobicContact CB-CB 4.26Å; I466-V501 PolarHBondContact N-O 3.49Å; I466-V501 PolarHBondContact O-N 3.36Å; I468-V501 HydrophobicContact CG2-CG2 4.42Å
502	I	98.8	Very high	96.2	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	143.4	175.8	-165.1	170.8	0	0	0	110.6	W421 T432 V434 E464 L465 Y500 A507 L510	W421-I502 HydrophobicContact CG-CD1 4.34Å; T432-I502 HydrophobicContact CG2-CG2 4.28Å; T432-I502 PolarHBondContact N-O 3.32Å; T432-I502 PolarHBondContact O-N 3.06Å; V434-I502 HydrophobicContact CG2-CG2 4.43Å; E464-I502 WeakPolarHBondContact O-CA 3.2Å; E464-I502 WeakPolarHBondContact O-CG1 3.06Å; L465-I502 HydrophobicContact CD1-CB 4.43Å; L465-I502 HydrophobicContact CD1-CG1 4.41Å; Y500-I502 HydrophobicContact CD2-CB 3.95Å; Y500-I502 HydrophobicContact CD2-CG2 4.43Å; Y500-I502 HydrophobicContact CE2-CB 3.86Å; Y500-I502 HydrophobicContact CE2-CD1 4.27Å; Y500-I502 HydrophobicContact CE2-CG2 4Å; I502-A507 HydrophobicContact CD1-CB 4.05Å; I502-A507 HydrophobicContact CG1-CB 4.5Å; I502-L510 HydrophobicContact CD1-CD1 3.72Å
503	S	98.8	Very high	96.4	Very high	13 Å²	13	20.5 Å²	20.5	9%	0.091	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	166.9	172.4	76	0	0	0	0	112.2	E430 E464 E505 G506 A507	E430-S503 VanDerWaalsContact O-CA 3.27Å; E430-S503 WeakPolarHBondContact O-CA 3.13Å; E464-S503 WeakPolarHBondContact CA-OG 3.23Å; E464-S503 PolarHBondContact O-N 3.31Å; E464-S503 VanDerWaalsContact O-N 3.09Å; S503-E505 PolarHBondContact O-N 3.46Å; S503-G506 PolarHBondContact O-N 3.22Å; S503-G506 PolarHBondContact OG-N 2.88Å; S503-G506 VanDerWaalsContact OG-N 3.12Å; S503-A507 PolarHBondContact O-N 2.99Å
504	L	98.8	Very high	96.5	Very high	18 Å²	18	25 Å²	25	9%	0.094	14%	0.142	C	C	.	.	H	α-helix	trans	-56.7	-47.3	173.4	-178.2	54.9	0	0	0	112	V424 E428 L429 E430 G506 A507 Q508	V424-L504 HydrophobicContact CG1-CD1 4.28Å; E428-L504 HydrophobicContact CB-CD2 4.34Å; L429-L504 WeakPolarHBondContact O-CB 3.33Å; E430-L504 PolarHBondContact O-N 2.94Å; L504-G506 VanDerWaalsContact C-N 3.35Å; L504-G506 PolarHBondContact O-N 3.45Å; L504-A507 PolarHBondContact O-N 3.31Å; L504-Q508 VanDerWaalsContact O-CG 3.31Å; L504-Q508 WeakPolarHBondContact O-CG 3.34Å; L504-Q508 PolarHBondContact O-N 3.28Å
505	E	98.6	Very high	96.7	Very high	84 Å²	84	25 Å²	25	39%	0.393	14%	0.141	S	C	.	.	H	α-helix	trans	-60.3	-43.4	175.7	-179.1	177.4	172	0	0	111.4	E464 S503 A507 Q508 K509 K548	E464-E505 HydrophobicContact CG-CB 4.44Å; E464-E505 HydrophobicContact CG-CG 4.33Å; S503-E505 PolarHBondContact O-N 3.46Å; E505-A507 PolarHBondContact O-N 3.46Å; E505-Q508 WeakPolarHBondContact O-CB 3.47Å; E505-Q508 PolarHBondContact O-N 3.3Å; E505-K509 HydrophobicContact CG-CD 4.37Å; E505-K509 WeakPolarHBondContact O-CG 3.45Å; E505-K509 PolarHBondContact O-N 3.12Å; E505-K509 WeakPolarHBondContact OE1-CE 3.5Å; E505-K509 IonicContact OE1-NZ 3.48Å; E505-K509 PolarHBondContact OE1-NZ 3.11Å; E505-K548 IonicContact OE1-NZ 3.7Å
506	G	98.6	Very high	96.9	Very high	0 Å²	0	26 Å²	26	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-58.2	-47.5	176.5	0	0	0	0	0	112.2	S503 L504 Q508 K509 L510	S503-G506 PolarHBondContact O-N 3.22Å; S503-G506 PolarHBondContact OG-N 2.88Å; S503-G506 VanDerWaalsContact OG-N 3.12Å; L504-G506 VanDerWaalsContact C-N 3.35Å; L504-G506 PolarHBondContact O-N 3.45Å; G506-Q508 PolarHBondContact O-N 2.82Å; G506-K509 PolarHBondContact O-N 2.86Å; G506-L510 WeakPolarHBondContact O-CG 3.47Å; G506-L510 PolarHBondContact O-N 2.95Å
507	A	98.8	Very high	97.1	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-61.3	-42.9	176.3	0	0	0	0	0	112.1	W421 V424 I425 I502 S503 L504 E505 K509 L510 V511	W421-A507 HydrophobicContact CB-CB 4.13Å; V424-A507 HydrophobicContact CB-CB 4.01Å; V424-A507 HydrophobicContact CG1-CB 3.54Å; I425-A507 HydrophobicContact CD1-CB 4.47Å; I425-A507 HydrophobicContact CG1-CB 4.04Å; I502-A507 HydrophobicContact CD1-CB 4.05Å; I502-A507 HydrophobicContact CG1-CB 4.5Å; S503-A507 PolarHBondContact O-N 2.99Å; L504-A507 PolarHBondContact O-N 3.31Å; E505-A507 PolarHBondContact O-N 3.46Å; A507-K509 PolarHBondContact O-N 2.86Å; A507-L510 PolarHBondContact O-N 3.49Å; A507-V511 WeakPolarHBondContact O-CB 3.44Å; A507-V511 WeakPolarHBondContact O-CG2 3.4Å; A507-V511 PolarHBondContact O-N 3.11Å
508	Q	98.7	Very high	97.3	Very high	101 Å²	101	27.5 Å²	27.5	47%	0.472	16%	0.162	S	C	.	.	H	α-helix	trans	-59.6	-44.1	176.2	-71	174.1	3.9	0	0	112.2	I425 L504 E505 G506 G512	I425-Q508 HydrophobicContact CD1-CG 4.21Å; I425-Q508 HydrophobicContact CG1-CG 3.87Å; L504-Q508 VanDerWaalsContact O-CG 3.31Å; L504-Q508 WeakPolarHBondContact O-CG 3.34Å; L504-Q508 PolarHBondContact O-N 3.28Å; E505-Q508 WeakPolarHBondContact O-CB 3.47Å; E505-Q508 PolarHBondContact O-N 3.3Å; G506-Q508 PolarHBondContact O-N 2.82Å; Q508-G512 PolarHBondContact O-N 3.2Å
509	K	98.5	Very high	97.2	Very high	38 Å²	38	27.1 Å²	27.1	17%	0.165	16%	0.16	C	C	.	.	H	α-helix	trans	-63.9	-44	176.5	-72.3	179.8	-175.3	178.9	0	112.7	E464 E505 G506 A507 G512 A513 D546 L547	E464-K509 IonicContact OE1-NZ 3.5Å; E464-K509 PolarHBondContact OE1-NZ 3.31Å; E464-K509 WeakPolarHBondContact OE2-CD 3.31Å; E464-K509 IonicContact OE2-NZ 2.72Å; E464-K509 PolarHBondContact OE2-NZ 3.06Å; E464-K509 VanDerWaalsContact OE2-NZ 3.11Å; E505-K509 HydrophobicContact CG-CD 4.37Å; E505-K509 WeakPolarHBondContact O-CG 3.45Å; E505-K509 PolarHBondContact O-N 3.12Å; E505-K509 WeakPolarHBondContact OE1-CE 3.5Å; E505-K509 IonicContact OE1-NZ 3.48Å; E505-K509 PolarHBondContact OE1-NZ 3.11Å; G506-K509 PolarHBondContact O-N 2.86Å; A507-K509 PolarHBondContact O-N 2.86Å; K509-G512 PolarHBondContact O-N 3.08Å; K509-A513 PolarHBondContact O-N 3.02Å; K509-A513 VanDerWaalsContact O-N 3.14Å; K509-D546 WeakPolarHBondContact CE-OD2 3.49Å; K509-D546 IonicContact NZ-OD2 3.84Å; K509-D546 PolarHBondContact NZ-OD2 3.09Å; K509-L547 HydrophobicContact CB-CD1 4.18Å; K509-L547 HydrophobicContact CD-CD1 4.36Å
510	L	98.4	Very high	97.1	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-65.8	-39.4	179.1	-65.4	-175.9	0	0	0	112.6	W421 I502 G506 A507 A513 F525 L526 M529 L547	W421-L510 HydrophobicContact CD2-CB 4.05Å; W421-L510 HydrophobicContact CD2-CD1 3.86Å; W421-L510 HydrophobicContact CE3-CB 3.75Å; W421-L510 HydrophobicContact CE3-CD1 4.24Å; W421-L510 HydrophobicContact CG-CD1 4.43Å; W421-L510 HydrophobicContact CH2-CD1 4.1Å; W421-L510 HydrophobicContact CZ2-CD1 3.67Å; W421-L510 HydrophobicContact CZ3-CB 4.01Å; W421-L510 HydrophobicContact CZ3-CD1 4.35Å; I502-L510 HydrophobicContact CD1-CD1 3.72Å; G506-L510 WeakPolarHBondContact O-CG 3.47Å; G506-L510 PolarHBondContact O-N 2.95Å; A507-L510 PolarHBondContact O-N 3.49Å; L510-A513 WeakPolarHBondContact O-CB 3.34Å; L510-F525 HydrophobicContact CB-CE1 4.26Å; L510-F525 HydrophobicContact CD2-CE1 3.83Å; L510-F525 HydrophobicContact CD2-CZ 4.18Å; L510-L526 HydrophobicContact CD1-CD2 3.52Å; L510-L526 HydrophobicContact CD2-CD2 3.69Å; L510-L526 HydrophobicContact CG-CD2 4.28Å; L510-M529 HydrophobicContact CD2-CB 3.89Å; L510-M529 HydrophobicContact CD2-CG 3.75Å; L510-L547 HydrophobicContact CD2-CD1 4.27Å; L510-L547 HydrophobicContact CD2-CD2 3.92Å; L510-L547 HydrophobicContact CG-CD1 4.39Å
511	V	98	Very high	96.9	Very high	25 Å²	25	27.1 Å²	27.1	15%	0.152	16%	0.16	C	C	.	.	H	α-helix	trans	-72.7	-41.8	176.5	167.5	0	0	0	0	111.4	Y418 W421 K422 I425 A507 A513 D514	Y418-V511 HydrophobicContact CD2-CG2 4.36Å; Y418-V511 HydrophobicContact CE2-CB 4.35Å; Y418-V511 HydrophobicContact CE2-CG1 4.34Å; Y418-V511 HydrophobicContact CE2-CG2 3.99Å; W421-V511 HydrophobicContact CB-CG2 3.72Å; W421-V511 HydrophobicContact CE3-CG2 4.47Å; K422-V511 HydrophobicContact CD-CG1 3.77Å; K422-V511 HydrophobicContact CD-CG2 4.16Å; K422-V511 HydrophobicContact CG-CG2 4.33Å; I425-V511 HydrophobicContact CD1-CB 3.7Å; I425-V511 HydrophobicContact CD1-CG1 4Å; I425-V511 HydrophobicContact CD1-CG2 3.64Å; A507-V511 WeakPolarHBondContact O-CB 3.44Å; A507-V511 WeakPolarHBondContact O-CG2 3.4Å; A507-V511 PolarHBondContact O-N 3.11Å; V511-A513 PolarHBondContact O-N 3.42Å; V511-D514 PolarHBondContact O-N 3.38Å
512	G	97.3	Very high	96.8	Very high	64 Å²	64	27.3 Å²	27.3	66%	0.66	16%	0.161	S	C	*	.	H	α-helix	trans	-68.6	-12.6	179.3	0	0	0	0	0	115	Q508 K509 D514	Q508-G512 PolarHBondContact O-N 3.2Å; K509-G512 PolarHBondContact O-N 3.08Å; G512-D514 PolarHBondContact O-N 2.93Å
513	A	96.5	Very high	96.5	Very high	15 Å²	15	28.5 Å²	28.5	12%	0.124	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-14.1	174	0	0	0	0	0	114.2	K509 L510 V511 K518 F525 M529 Y542	K509-A513 PolarHBondContact O-N 3.02Å; K509-A513 VanDerWaalsContact O-N 3.14Å; L510-A513 WeakPolarHBondContact O-CB 3.34Å; V511-A513 PolarHBondContact O-N 3.42Å; A513-K518 WeakPolarHBondContact O-CE 3.25Å; A513-K518 PolarHBondContact O-NZ 2.98Å; A513-F525 HydrophobicContact CB-CE2 3.92Å; A513-F525 HydrophobicContact CB-CZ 3.85Å; A513-M529 HydrophobicContact CB-CE 3.65Å; A513-M529 HydrophobicContact CB-SD 3.76Å; A513-Y542 HydrophobicContact CB-CD1 4.06Å; A513-Y542 HydrophobicContact CB-CE1 4.15Å
514	D	95.2	Very high	96.3	Very high	106 Å²	106	28 Å²	28	57%	0.567	16%	0.163	S	C	*	.			trans	46.7	66.3	-173.3	-169.8	20.2	0	0	0	113.6	V511 G512 F516 K518	V511-D514 PolarHBondContact O-N 3.38Å; G512-D514 PolarHBondContact O-N 2.93Å; D514-F516 VanDerWaalsContact C-N 3.33Å; D514-F516 PolarHBondContact O-N 3.36Å; D514-K518 WeakPolarHBondContact O-CE 3.4Å
515	P	95.3	Very high	96.2	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	16%	0.159	C	C	.	.			trans	-76.9	-12	-168.4	29.8	-35.3	0	0	0	114.7	F414 Y418 K518 M519 F525 Y542	F414-P515 HydrophobicContact CE1-CB 4.01Å; F414-P515 HydrophobicContact CE1-CG 3.65Å; F414-P515 HydrophobicContact CE2-CB 4.45Å; F414-P515 HydrophobicContact CZ-CB 3.53Å; F414-P515 HydrophobicContact CZ-CG 3.57Å; Y418-P515 HydrophobicContact CD2-CG 4.24Å; Y418-P515 HydrophobicContact CE2-CG 4.12Å; P515-K518 CarbonylContact O-C 3.6Å; P515-K518 VanDerWaalsContact O-C 3.24Å; P515-K518 PolarHBondContact O-N 2.67Å; P515-M519 VanDerWaalsContact O-CA 3.25Å; P515-M519 WeakPolarHBondContact O-CA 3.16Å; P515-M519 PolarHBondContact O-N 3.43Å; P515-F525 HydrophobicContact CB-CD2 4.41Å; P515-F525 HydrophobicContact CB-CE2 4.02Å; P515-F525 HydrophobicContact CB-CZ 4.26Å; P515-F525 HydrophobicContact CG-CZ 4.47Å; P515-Y542 HydrophobicContact CB-CE1 4.41Å
516	F	94.9	Very high	96.2	Very high	31 Å²	31	23.1 Å²	23.1	14%	0.136	14%	0.14	C	C	.	.	G	3₁₀ helix	trans	-68.4	-42.7	-167.1	-72.8	3	0	0	0	113	L389 N390 I391 E392 F414 L415 Y418 D514 K518 M519	L389-F516 WeakPolarHBondContact O-CD2 3.46Å; N390-F516 CarbonylContact O-C 3.46Å; N390-F516 VanDerWaalsContact O-C 3.27Å; I391-F516 WeakPolarHBondContact CA-O 3.48Å; I391-F516 HydrophobicContact CG1-CB 4.4Å; I391-F516 HydrophobicContact CG1-CG 4.39Å; E392-F516 PolarHBondContact N-O 3.34Å; F414-F516 HydrophobicContact CE1-CE1 4.3Å; L415-F516 HydrophobicContact CD2-CE1 3.71Å; L415-F516 HydrophobicContact CD2-CE2 4.3Å; L415-F516 HydrophobicContact CD2-CZ 3.54Å; Y418-F516 HydrophobicContact CD1-CE1 4.11Å; Y418-F516 AromaticContact CD1-CZ 3.73Å; Y418-F516 HydrophobicContact CD1-CZ 3.73Å; Y418-F516 AromaticContact CD2-CE1 3.95Å; Y418-F516 HydrophobicContact CD2-CE1 3.95Å; Y418-F516 HydrophobicContact CD2-CZ 4.37Å; Y418-F516 HydrophobicContact CE1-CE1 4.21Å; Y418-F516 HydrophobicContact CE1-CE2 4.44Å; Y418-F516 AromaticContact CE1-CZ 3.67Å; Y418-F516 HydrophobicContact CE1-CZ 3.67Å; Y418-F516 HydrophobicContact CE2-CE1 4.05Å; Y418-F516 HydrophobicContact CE2-CZ 4.3Å; Y418-F516 AromaticContact CG-CE1 3.98Å; Y418-F516 HydrophobicContact CG-CE1 3.98Å; Y418-F516 HydrophobicContact CG-CZ 4.09Å; Y418-F516 AromaticContact CZ-CZ 3.97Å; D514-F516 VanDerWaalsContact C-N 3.33Å; D514-F516 PolarHBondContact O-N 3.36Å; F516-K518 PolarHBondContact O-N 3.26Å; F516-M519 HydrophobicContact CD1-CE 3.54Å; F516-M519 HydrophobicContact CE1-CE 3.99Å; F516-M519 HydrophobicContact CG-CE 4.33Å
517	G	93.6	Very high	96.1	Very high	30 Å²	30	23.1 Å²	23.1	31%	0.309	14%	0.14	S	C	.	.	G	3₁₀ helix	trans	-75.9	5.3	176.3	0	0	0	0	0	115.4	N390	N390-G517 PolarHBondContact O-N 3.06Å
518	K	93.8	Very high	96	Very high	44 Å²	44	23.1 Å²	23.1	19%	0.191	14%	0.14	C	C	.	.	G	3₁₀ helix	trans	-155	42.3	-174.1	47.4	175.6	176.4	-178.7	0	110.6	E392 A513 D514 P515 F516 Y541 Y542	E392-K518 PolarHBondContact O-N 3.4Å; A513-K518 WeakPolarHBondContact O-CE 3.25Å; A513-K518 PolarHBondContact O-NZ 2.98Å; D514-K518 WeakPolarHBondContact O-CE 3.4Å; P515-K518 CarbonylContact O-C 3.6Å; P515-K518 VanDerWaalsContact O-C 3.24Å; P515-K518 PolarHBondContact O-N 2.67Å; F516-K518 PolarHBondContact O-N 3.26Å; K518-Y541 VanDerWaalsContact CD-O 3.29Å; K518-Y541 WeakPolarHBondContact CD-O 3.38Å; K518-Y541 PolarHBondContact NZ-O 3.3Å; K518-Y542 HydrophobicContact CD-CD1 4.26Å; K518-Y542 HydrophobicContact CD-CD2 4.47Å; K518-Y542 HydrophobicContact CD-CE1 3.8Å; K518-Y542 HydrophobicContact CD-CE2 4.03Å; K518-Y542 VanDerWaalsContact CE-CE1 3.43Å; K518-Y542 HydrophobicContact CG-CE1 4.23Å; K518-Y542 HydrophobicContact CG-CE2 4.36Å; K518-Y542 PolarHBondContact O-OH 3.19Å
519	M	94.4	Very high	96	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	12%	0.119	C	C	.	.	B	Isolated β-bridge	trans	-72.5	143.7	-167.4	-172.3	170.8	-75.6	0	0	112.5	I391 E392 L394 L406 I411 F414 L415 P515 F516	I391-M519 HydrophobicContact CD1-CE 4.28Å; I391-M519 HydrophobicContact CG1-CE 4.1Å; I391-M519 HydrophobicContact CG2-CB 4.45Å; I391-M519 HydrophobicContact CG2-CE 4.13Å; I391-M519 HydrophobicContact CG2-SD 3.77Å; E392-M519 WeakPolarHBondContact O-CB 3.25Å; E392-M519 PolarHBondContact O-N 2.98Å; L394-M519 PolarHBondContact N-O 2.84Å; L406-M519 HydrophobicContact CD2-CB 4.44Å; L406-M519 HydrophobicContact CD2-CG 4.23Å; I411-M519 HydrophobicContact CB-SD 4.25Å; I411-M519 HydrophobicContact CG1-SD 3.86Å; I411-M519 HydrophobicContact CG2-SD 3.96Å; F414-M519 HydrophobicContact CB-SD 4.42Å; F414-M519 HydrophobicContact CD1-CE 3.77Å; F414-M519 HydrophobicContact CD1-SD 4.48Å; F414-M519 HydrophobicContact CE1-CE 4.2Å; F414-M519 HydrophobicContact CG-CE 4.24Å; F414-M519 HydrophobicContact CG-SD 4.35Å; L415-M519 HydrophobicContact CD2-CE 4.44Å; P515-M519 VanDerWaalsContact O-CA 3.25Å; P515-M519 WeakPolarHBondContact O-CA 3.16Å; P515-M519 PolarHBondContact O-N 3.43Å; F516-M519 HydrophobicContact CD1-CE 3.54Å; F516-M519 HydrophobicContact CE1-CE 3.99Å; F516-M519 HydrophobicContact CG-CE 4.33Å
520	L	94.4	Very high	95.9	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	11%	0.114	C	C	.	.			trans	-131.9	167.8	173.8	-64.1	168.3	0	0	0	107.9	L394 Y397 F414 E524 F525 I528 Y542	L394-L520 HydrophobicContact CB-CD2 3.74Å; L394-L520 HydrophobicContact CB-CG 4.08Å; L394-L520 HydrophobicContact CD1-CD1 4.03Å; L394-L520 HydrophobicContact CD1-CD2 4.21Å; L394-L520 HydrophobicContact CD1-CG 4.15Å; L394-L520 HydrophobicContact CG-CD2 4.37Å; Y397-L520 HydrophobicContact CD1-CD2 4.21Å; Y397-L520 HydrophobicContact CD2-CD2 3.14Å; Y397-L520 HydrophobicContact CE2-CD2 3.64Å; Y397-L520 HydrophobicContact CG-CD2 3.48Å; Y397-L520 VanDerWaalsContact CG-CD2 3.48Å; F414-L520 VanDerWaalsContact CD2-O 3.24Å; F414-L520 WeakPolarHBondContact CD2-O 3.27Å; L520-E524 HydrophobicContact CB-CB 4.12Å; L520-F525 HydrophobicContact CB-CB 4.48Å; L520-I528 HydrophobicContact CD1-CD1 3.2Å; L520-Y542 HydrophobicContact CD1-CE2 4.38Å
521	P	94.8	Very high	95.8	Very high	1 Å²	1	21.2 Å²	21.2	1%	0.006	13%	0.134	C	C	.	.			trans	-54.1	149.1	162.4	-23.6	35.8	0	0	0	111.2	Y397 L406 E410 D523 E524 F525	Y397-P521 HydrophobicContact CE1-CG 4.16Å; Y397-P521 WeakPolarHBondContact OH-CD 3.45Å; Y397-P521 WeakPolarHBondContact OH-CG 3.46Å; L406-P521 HydrophobicContact CD1-CG 3.88Å; E410-P521 HydrophobicContact CB-CB 4.44Å; E410-P521 HydrophobicContact CB-CG 4.46Å; E410-P521 HydrophobicContact CG-CB 4.4Å; E410-P521 HydrophobicContact CG-CG 4.4Å; E410-P521 WeakPolarHBondContact OE1-CG 3.49Å; P521-D523 WeakPolarHBondContact CB-OD1 3.39Å; P521-D523 PolarHBondContact O-N 3.23Å; P521-E524 HydrophobicContact CB-CB 4.43Å; P521-E524 HydrophobicContact CB-CG 3.99Å; P521-E524 HydrophobicContact CG-CG 4.04Å; P521-E524 WeakPolarHBondContact O-CB 3.4Å; P521-E524 PolarHBondContact O-N 2.86Å; P521-F525 PolarHBondContact O-N 3.28Å
522	V	96.1	Very high	95.6	Very high	4 Å²	4	23.6 Å²	23.6	2%	0.024	14%	0.142	C	C	.	.	H	α-helix	trans	-60.7	-36.1	-175.4	61.9	0	0	0	0	112.2	C413 F414 H417 W421 E524 F525 L526	C413-V522 VanDerWaalsContact SG-CG1 3.57Å; F414-V522 HydrophobicContact CD2-CB 3.96Å; H417-V522 HydrophobicContact CB-CG2 4.23Å; W421-V522 HydrophobicContact CH2-CG2 4Å; W421-V522 HydrophobicContact CZ2-CG2 4.07Å; V522-E524 VanDerWaalsContact C-N 3.27Å; V522-E524 PolarHBondContact O-N 3.03Å; V522-F525 PolarHBondContact O-N 3.48Å; V522-L526 HydrophobicContact CG2-CD1 4.12Å; V522-L526 HydrophobicContact CG2-CG 4.28Å; V522-L526 WeakPolarHBondContact O-CG 3.33Å; V522-L526 PolarHBondContact O-N 3.18Å
523	D	92.8	Very high	95.5	Very high	25 Å²	25	20.6 Å²	20.6	13%	0.134	11%	0.111	C	C	.	.	H	α-helix	trans	-78.9	-6.2	178.5	62	-23.8	0	0	0	114	W496 P521 P527	W496-D523 PolarHBondContact N-OD2 2.83Å; P521-D523 WeakPolarHBondContact CB-OD1 3.39Å; P521-D523 PolarHBondContact O-N 3.23Å; D523-P527 WeakPolarHBondContact O-CD 3.5Å; D523-P527 WeakPolarHBondContact O-CG 3.39Å
524	E	95	Very high	95.2	Very high	1 Å²	1	23.6 Å²	23.6	1%	0.005	13%	0.129	C	C	.	.	H	α-helix	trans	-96.3	-38.3	167.5	-61.6	-89.1	-130.5	0	0	110.8	Y397 P400 Y493 Y495 L520 P521 V522 P527 I528 H533	Y397-E524 HydrophobicContact CE2-CG 4.41Å; Y397-E524 PolarHBondContact OH-OE1 2.94Å; P400-E524 WeakPolarHBondContact CD-OE1 3.04Å; Y493-E524 PolarHBondContact OH-OE2 3.46Å; Y495-E524 HydrophobicContact CE1-CG 4.5Å; Y495-E524 PolarHBondContact OH-OE1 3.47Å; L520-E524 HydrophobicContact CB-CB 4.12Å; P521-E524 HydrophobicContact CB-CB 4.43Å; P521-E524 HydrophobicContact CB-CG 3.99Å; P521-E524 HydrophobicContact CG-CG 4.04Å; P521-E524 WeakPolarHBondContact O-CB 3.4Å; P521-E524 PolarHBondContact O-N 2.86Å; V522-E524 VanDerWaalsContact C-N 3.27Å; V522-E524 PolarHBondContact O-N 3.03Å; E524-P527 WeakPolarHBondContact O-CD 3.25Å; E524-I528 WeakPolarHBondContact O-CG1 2.94Å; E524-I528 PolarHBondContact O-N 3Å; E524-H533 IonicContact OE2-CD2 2.82Å; E524-H533 IonicContact OE2-NE2 3.46Å; E524-H533 PolarHBondContact OE2-NE2 3.25Å
525	F	97.2	Very high	95.1	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-64.4	-47.5	177.1	169.1	-112	0	0	0	112.5	F414 W421 L510 A513 P515 L520 P521 V522 I528 M529 Y542	F414-F525 HydrophobicContact CE2-CB 3.74Å; F414-F525 AromaticContact CE2-CD1 3.55Å; F414-F525 HydrophobicContact CE2-CD1 3.55Å; F414-F525 HydrophobicContact CE2-CD2 4.46Å; F414-F525 HydrophobicContact CE2-CE1 4.25Å; F414-F525 AromaticContact CE2-CG 3.66Å; F414-F525 HydrophobicContact CE2-CG 3.66Å; F414-F525 AromaticContact CZ-CD1 3.71Å; F414-F525 HydrophobicContact CZ-CD1 3.71Å; F414-F525 AromaticContact CZ-CE1 3.94Å; F414-F525 HydrophobicContact CZ-CE1 3.94Å; F414-F525 HydrophobicContact CZ-CG 4.05Å; F414-F525 HydrophobicContact CZ-CZ 4.48Å; W421-F525 HydrophobicContact CH2-CD1 4.02Å; W421-F525 AromaticContact CH2-CE1 3.81Å; W421-F525 HydrophobicContact CH2-CE1 3.81Å; W421-F525 HydrophobicContact CZ3-CD1 4.37Å; W421-F525 AromaticContact CZ3-CE1 3.79Å; W421-F525 HydrophobicContact CZ3-CE1 3.79Å; L510-F525 HydrophobicContact CB-CE1 4.26Å; L510-F525 HydrophobicContact CD2-CE1 3.83Å; L510-F525 HydrophobicContact CD2-CZ 4.18Å; A513-F525 HydrophobicContact CB-CE2 3.92Å; A513-F525 HydrophobicContact CB-CZ 3.85Å; P515-F525 HydrophobicContact CB-CD2 4.41Å; P515-F525 HydrophobicContact CB-CE2 4.02Å; P515-F525 HydrophobicContact CB-CZ 4.26Å; P515-F525 HydrophobicContact CG-CZ 4.47Å; L520-F525 HydrophobicContact CB-CB 4.48Å; P521-F525 PolarHBondContact O-N 3.28Å; V522-F525 PolarHBondContact O-N 3.48Å; F525-I528 WeakPolarHBondContact O-CB 3.48Å; F525-I528 PolarHBondContact O-N 3.19Å; F525-M529 HydrophobicContact CD2-CG 4.06Å; F525-M529 HydrophobicContact CD2-SD 4.35Å; F525-M529 HydrophobicContact CE1-CG 4.11Å; F525-M529 HydrophobicContact CE2-CG 3.55Å; F525-M529 HydrophobicContact CE2-SD 3.56Å; F525-M529 VanDerWaalsContact CE2-SD 3.56Å; F525-M529 HydrophobicContact CZ-CG 3.59Å; F525-M529 HydrophobicContact CZ-SD 3.94Å; F525-M529 PolarHBondContact O-N 2.93Å; F525-M529 VanDerWaalsContact O-N 3.13Å; F525-Y542 AromaticContact CD2-CE1 3.95Å; F525-Y542 HydrophobicContact CD2-CE1 3.95Å; F525-Y542 AromaticContact CD2-CZ 3.88Å; F525-Y542 HydrophobicContact CE2-CD1 4.13Å; F525-Y542 AromaticContact CE2-CE1 3.54Å; F525-Y542 HydrophobicContact CE2-CE1 3.54Å; F525-Y542 AromaticContact CE2-CZ 3.98Å
526	L	97.6	Very high	94.9	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-56.2	-51.4	-179.9	-68.8	173	0	0	0	111.5	W421 L465 Y467 T497 L510 V522 I528 M529 Y530	W421-L526 HydrophobicContact CH2-CD2 4.48Å; W421-L526 HydrophobicContact CZ2-CD2 4.19Å; L465-L526 HydrophobicContact CD2-CD1 4.45Å; L465-L526 HydrophobicContact CD2-CD2 4.23Å; Y467-L526 HydrophobicContact CE1-CD1 4.27Å; Y467-L526 WeakPolarHBondContact OH-CB 3.4Å; T497-L526 HydrophobicContact CG2-CD1 3.94Å; L510-L526 HydrophobicContact CD1-CD2 3.52Å; L510-L526 HydrophobicContact CD2-CD2 3.69Å; L510-L526 HydrophobicContact CG-CD2 4.28Å; V522-L526 HydrophobicContact CG2-CD1 4.12Å; V522-L526 HydrophobicContact CG2-CG 4.28Å; V522-L526 WeakPolarHBondContact O-CG 3.33Å; V522-L526 PolarHBondContact O-N 3.18Å; L526-I528 PolarHBondContact O-N 3.34Å; L526-M529 PolarHBondContact O-N 2.91Å; L526-Y530 HydrophobicContact CB-CE1 4.26Å; L526-Y530 WeakPolarHBondContact O-CD1 3.4Å; L526-Y530 VanDerWaalsContact O-CE1 3.23Å; L526-Y530 WeakPolarHBondContact O-CE1 3.5Å; L526-Y530 PolarHBondContact O-N 2.71Å
527	P	96.6	Very high	94.8	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-57.9	-23.8	173	-26.2	33.5	0	0	0	116.7	Y493 S494 D523 E524 Y530 N531 K532 H533	Y493-P527 HydrophobicContact CD2-CB 3.79Å; Y493-P527 HydrophobicContact CD2-CG 3.9Å; Y493-P527 HydrophobicContact CE2-CB 4.35Å; Y493-P527 HydrophobicContact CE2-CG 4.31Å; S494-P527 WeakPolarHBondContact O-CG 3.41Å; D523-P527 WeakPolarHBondContact O-CD 3.5Å; D523-P527 WeakPolarHBondContact O-CG 3.39Å; E524-P527 WeakPolarHBondContact O-CD 3.25Å; P527-Y530 VanDerWaalsContact CA-CE1 3.46Å; P527-Y530 HydrophobicContact CB-CE1 4.39Å; P527-Y530 HydrophobicContact CG-CE1 4.35Å; P527-N531 CarbonylContact O-C 3.49Å; P527-N531 PolarHBondContact O-N 3.22Å; P527-K532 PolarHBondContact O-N 2.72Å; P527-H533 HydrophobicContact CB-CB 4.16Å; P527-H533 PolarHBondContact O-N 2.84Å
528	I	96.9	Very high	94.9	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-71.1	-44.6	171.3	-70.1	173.2	0	0	0	109.9	L520 E524 F525 L526 Y530 N531 H533 K539 Y542 R545	L520-I528 HydrophobicContact CD1-CD1 3.2Å; E524-I528 WeakPolarHBondContact O-CG1 2.94Å; E524-I528 PolarHBondContact O-N 3Å; F525-I528 WeakPolarHBondContact O-CB 3.48Å; F525-I528 PolarHBondContact O-N 3.19Å; L526-I528 PolarHBondContact O-N 3.34Å; I528-Y530 VanDerWaalsContact C-N 3.27Å; I528-Y530 PolarHBondContact O-N 3Å; I528-N531 WeakPolarHBondContact O-CA 3.44Å; I528-N531 PolarHBondContact O-N 3.02Å; I528-H533 HydrophobicContact CB-CB 4.41Å; I528-H533 HydrophobicContact CG1-CB 3.48Å; I528-H533 VanDerWaalsContact CG1-CB 3.48Å; I528-K539 HydrophobicContact CB-CG 4.42Å; I528-K539 HydrophobicContact CG1-CG 4.01Å; I528-K539 HydrophobicContact CG2-CB 4.48Å; I528-K539 HydrophobicContact CG2-CG 4.15Å; I528-Y542 HydrophobicContact CD1-CD2 4.44Å; I528-Y542 HydrophobicContact CG2-CD2 3.72Å; I528-Y542 HydrophobicContact CG2-CG 3.9Å; I528-R545 HydrophobicContact CG2-CG 4.44Å; I528-R545 WeakPolarHBondContact O-CB 3.2Å; I528-R545 WeakPolarHBondContact O-CD 3.46Å; I528-R545 WeakPolarHBondContact O-CG 3.28Å
529	M	98	Very high	94.8	Very high	4 Å²	4	26 Å²	26	2%	0.02	14%	0.139	C	C	.	.	H	α-helix	trans	-66.1	-25	-176.9	-62.5	-52	-58.5	0	0	113.8	L510 A513 F525 L526 Y542 S544 R545 D546 L547	L510-M529 HydrophobicContact CD2-CB 3.89Å; L510-M529 HydrophobicContact CD2-CG 3.75Å; A513-M529 HydrophobicContact CB-CE 3.65Å; A513-M529 HydrophobicContact CB-SD 3.76Å; F525-M529 HydrophobicContact CD2-CG 4.06Å; F525-M529 HydrophobicContact CD2-SD 4.35Å; F525-M529 HydrophobicContact CE1-CG 4.11Å; F525-M529 HydrophobicContact CE2-CG 3.55Å; F525-M529 HydrophobicContact CE2-SD 3.56Å; F525-M529 VanDerWaalsContact CE2-SD 3.56Å; F525-M529 HydrophobicContact CZ-CG 3.59Å; F525-M529 HydrophobicContact CZ-SD 3.94Å; F525-M529 PolarHBondContact O-N 2.93Å; F525-M529 VanDerWaalsContact O-N 3.13Å; L526-M529 PolarHBondContact O-N 2.91Å; M529-Y542 HydrophobicContact SD-CD1 3.96Å; M529-Y542 HydrophobicContact SD-CG 4.38Å; M529-S544 VanDerWaalsContact CE-O 3.26Å; M529-S544 WeakPolarHBondContact CE-O 3.44Å; M529-R545 CarbonylContact O-C 3.49Å; M529-R545 WeakPolarHBondContact O-CA 3.23Å; M529-D546 PolarHBondContact O-N 3.3Å; M529-L547 HydrophobicContact CB-CB 4.13Å; M529-L547 HydrophobicContact CB-CD2 4.19Å; M529-L547 WeakPolarHBondContact O-CB 3.49Å; M529-L547 PolarHBondContact O-N 3.31Å
530	Y	96.9	Very high	94.8	Very high	19 Å²	19	33 Å²	33	8%	0.075	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.6	21.3	167.7	62.6	-94.5	0	0	0	113.7	Y467 A491 D492 S494 L526 P527 I528 K532 L547 A549	Y467-Y530 AromaticContact CE2-CE1 3.98Å; Y467-Y530 HydrophobicContact CE2-CE1 3.98Å; Y467-Y530 AromaticContact CE2-CZ 4Å; A491-Y530 HydrophobicContact CB-CE2 4.04Å; A491-Y530 WeakPolarHBondContact O-CE2 3.46Å; D492-Y530 WeakPolarHBondContact O-CE2 3.06Å; D492-Y530 PolarHBondContact O-OH 3.05Å; S494-Y530 PolarHBondContact OG-OH 3.36Å; L526-Y530 HydrophobicContact CB-CE1 4.26Å; L526-Y530 WeakPolarHBondContact O-CD1 3.4Å; L526-Y530 VanDerWaalsContact O-CE1 3.23Å; L526-Y530 WeakPolarHBondContact O-CE1 3.5Å; L526-Y530 PolarHBondContact O-N 2.71Å; P527-Y530 VanDerWaalsContact CA-CE1 3.46Å; P527-Y530 HydrophobicContact CB-CE1 4.39Å; P527-Y530 HydrophobicContact CG-CE1 4.35Å; I528-Y530 VanDerWaalsContact C-N 3.27Å; I528-Y530 PolarHBondContact O-N 3Å; Y530-K532 HydrophobicContact CD2-CB 3.73Å; Y530-K532 HydrophobicContact CD2-CG 3.42Å; Y530-K532 VanDerWaalsContact CD2-CG 3.42Å; Y530-K532 HydrophobicContact CE2-CB 3.61Å; Y530-K532 HydrophobicContact CE2-CG 3.62Å; Y530-K532 PolarHBondContact O-N 3.41Å; Y530-K532 VanDerWaalsContact O-N 3.07Å; Y530-L547 WeakPolarHBondContact CB-O 3.2Å; Y530-L547 HydrophobicContact CD1-CD2 4.27Å; Y530-A549 HydrophobicContact CD1-CB 3.41Å; Y530-A549 VanDerWaalsContact CD1-CB 3.41Å; Y530-A549 HydrophobicContact CD2-CB 3.86Å; Y530-A549 HydrophobicContact CE1-CB 3.92Å; Y530-A549 HydrophobicContact CE2-CB 4.31Å; Y530-A549 HydrophobicContact CG-CB 3.4Å; Y530-A549 VanDerWaalsContact CG-CB 3.4Å
531	N	96.2	Very high	94.8	Very high	76 Å²	76	37.6 Å²	37.6	41%	0.406	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.2	11	170.1	-160.7	40.9	0	0	0	117.4	P527 I528 K539 R545	P527-N531 CarbonylContact O-C 3.49Å; P527-N531 PolarHBondContact O-N 3.22Å; I528-N531 WeakPolarHBondContact O-CA 3.44Å; I528-N531 PolarHBondContact O-N 3.02Å; N531-K539 PolarHBondContact O-NZ 3.27Å; N531-R545 HydrophobicContact CB-CB 4Å; N531-R545 PolarHBondContact OD1-NE 3.17Å
532	K	94.6	Very high	94.8	Very high	76 Å²	76	37.7 Å²	37.7	33%	0.33	19%	0.19	S	C	.	.			trans	-91.5	-8.2	-178.2	-68	-72.5	-162.7	156.6	0	115.3	A491 D492 P527 Y530	A491-K532 WeakPolarHBondContact O-CE 3.32Å; D492-K532 IonicContact OD2-NZ 3.68Å; D492-K532 PolarHBondContact OD2-NZ 3.27Å; P527-K532 PolarHBondContact O-N 2.72Å; Y530-K532 HydrophobicContact CD2-CB 3.73Å; Y530-K532 HydrophobicContact CD2-CG 3.42Å; Y530-K532 VanDerWaalsContact CD2-CG 3.42Å; Y530-K532 HydrophobicContact CE2-CB 3.61Å; Y530-K532 HydrophobicContact CE2-CG 3.62Å; Y530-K532 PolarHBondContact O-N 3.41Å; Y530-K532 VanDerWaalsContact O-N 3.07Å
533	H	94.1	Very high	94.5	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	23%	0.23	C	C	.	.			trans	-56.6	135.6	177.6	-170.5	-83.3	0	0	0	112.1	Y493 E524 P527 I528 V535 Y538 K539	Y493-H533 AromaticContact CE2-CD2 3.84Å; E524-H533 IonicContact OE2-CD2 2.82Å; E524-H533 IonicContact OE2-NE2 3.46Å; E524-H533 PolarHBondContact OE2-NE2 3.25Å; P527-H533 HydrophobicContact CB-CB 4.16Å; P527-H533 PolarHBondContact O-N 2.84Å; I528-H533 HydrophobicContact CB-CB 4.41Å; I528-H533 HydrophobicContact CG1-CB 3.48Å; I528-H533 VanDerWaalsContact CG1-CB 3.48Å; H533-V535 PolarHBondContact ND1-N 2.81Å; H533-V535 VanDerWaalsContact ND1-N 3.19Å; H533-V535 PolarHBondContact ND1-O 3.21Å; H533-V535 VanDerWaalsContact ND1-O 3.1Å; H533-Y538 AromaticContact CE1-CD2 3.23Å; H533-Y538 WeakPolarHBondContact CE1-CD2 3.19Å; H533-Y538 AromaticContact CE1-CE2 3.82Å; H533-Y538 AromaticContact NE2-CD2 3.74Å; H533-K539 HydrophobicContact CB-CD 4.03Å; H533-K539 HydrophobicContact CB-CG 4.01Å; H533-K539 VanDerWaalsContact O-CE 3.25Å; H533-K539 WeakPolarHBondContact O-CE 3.41Å; H533-K539 PolarHBondContact O-NZ 2.96Å
534	P	91.3	Very high	94.5	Very high	78 Å²	78	48.8 Å²	48.8	51%	0.506	25%	0.249	S	C	.	.	S	Bend	trans	-77.3	-30.5	-170.7	29.9	-37.6	0	0	0	114.4	Y493	Y493-P534 HydrophobicContact CD1-CG 3.85Å; Y493-P534 HydrophobicContact CD2-CG 4.47Å; Y493-P534 HydrophobicContact CE1-CG 3.5Å; Y493-P534 VanDerWaalsContact CE1-CG 3.5Å; Y493-P534 VanDerWaalsContact CE2-CD 3.47Å; Y493-P534 HydrophobicContact CE2-CG 4.18Å; Y493-P534 HydrophobicContact CG-CG 4.31Å
535	V	91.9	Very high	94.5	Very high	33 Å²	33	52.6 Å²	52.6	20%	0.2	26%	0.264	C	S	.	.			trans	-80	125.9	173.7	-171.2	0	0	0	0	108.1	P400 H533 E537 Y538	P400-V535 HydrophobicContact CG-CG2 4.11Å; H533-V535 PolarHBondContact ND1-N 2.81Å; H533-V535 VanDerWaalsContact ND1-N 3.19Å; H533-V535 PolarHBondContact ND1-O 3.21Å; H533-V535 VanDerWaalsContact ND1-O 3.1Å; V535-E537 HydrophobicContact CG1-CB 4.18Å; V535-E537 WeakPolarHBondContact CG1-OE2 3.33Å; V535-Y538 HydrophobicContact CB-CD1 4.39Å; V535-Y538 HydrophobicContact CB-CD2 3.91Å; V535-Y538 HydrophobicContact CB-CE2 4.04Å; V535-Y538 HydrophobicContact CB-CG 4.04Å; V535-Y538 HydrophobicContact CG1-CD1 3.79Å; V535-Y538 HydrophobicContact CG1-CD2 4.19Å; V535-Y538 HydrophobicContact CG1-CE1 3.84Å; V535-Y538 HydrophobicContact CG1-CE2 4.19Å; V535-Y538 HydrophobicContact CG1-CG 3.95Å; V535-Y538 HydrophobicContact CG2-CD2 4.25Å; V535-Y538 HydrophobicContact CG2-CE2 3.92Å
536	A	92.1	Very high	94.5	Very high	50 Å²	50	56.2 Å²	56.2	41%	0.413	28%	0.283	S	S	.	.	H	α-helix	trans	-77.3	-41.4	-176.4	0	0	0	0	0	110.9	Y538 K539 E540	A536-Y538 PolarHBondContact O-N 3.45Å; A536-K539 WeakPolarHBondContact O-CA 3.5Å; A536-K539 WeakPolarHBondContact O-CB 3.31Å; A536-K539 PolarHBondContact O-N 3.37Å; A536-E540 PolarHBondContact O-N 2.97Å
537	E	93.6	Very high	94.5	Very high	115 Å²	115	56.6 Å²	56.6	54%	0.537	29%	0.285	S	S	.	.	H	α-helix	trans	-56.7	-35.5	-178.4	-59.6	87.5	156	0	0	112.1	V535 Y541	V535-E537 HydrophobicContact CG1-CB 4.18Å; V535-E537 WeakPolarHBondContact CG1-OE2 3.33Å; E537-Y541 VanDerWaalsContact O-CD2 3.24Å; E537-Y541 WeakPolarHBondContact O-CD2 3.36Å; E537-Y541 WeakPolarHBondContact O-CE2 3.48Å
538	Y	93.8	Very high	94.6	Very high	24 Å²	24	59.4 Å²	59.4	9%	0.094	30%	0.297	C	S	.	.	H	α-helix	trans	-72.8	-30.8	176.6	-57.6	-6.6	0	0	0	112	L394 Y397 R398 H533 V535 A536 E540	L394-Y538 HydrophobicContact CD2-CD1 3.73Å; L394-Y538 HydrophobicContact CD2-CE1 4.34Å; L394-Y538 HydrophobicContact CD2-CG 4.17Å; Y397-Y538 HydrophobicContact CD2-CD2 4.05Å; Y397-Y538 AromaticContact CD2-CE2 3.48Å; Y397-Y538 HydrophobicContact CD2-CE2 3.48Å; Y397-Y538 VanDerWaalsContact CD2-CE2 3.48Å; Y397-Y538 AromaticContact CD2-CZ 3.77Å; Y397-Y538 HydrophobicContact CE2-CD2 4.43Å; Y397-Y538 AromaticContact CE2-CE2 3.82Å; Y397-Y538 HydrophobicContact CE2-CE2 3.82Å; R398-Y538 PolarHBondContact N-OH 3.42Å; R398-Y538 PolarHBondContact O-OH 3.23Å; H533-Y538 AromaticContact CE1-CD2 3.23Å; H533-Y538 WeakPolarHBondContact CE1-CD2 3.19Å; H533-Y538 AromaticContact CE1-CE2 3.82Å; H533-Y538 AromaticContact NE2-CD2 3.74Å; V535-Y538 HydrophobicContact CB-CD1 4.39Å; V535-Y538 HydrophobicContact CB-CD2 3.91Å; V535-Y538 HydrophobicContact CB-CE2 4.04Å; V535-Y538 HydrophobicContact CB-CG 4.04Å; V535-Y538 HydrophobicContact CG1-CD1 3.79Å; V535-Y538 HydrophobicContact CG1-CD2 4.19Å; V535-Y538 HydrophobicContact CG1-CE1 3.84Å; V535-Y538 HydrophobicContact CG1-CE2 4.19Å; V535-Y538 HydrophobicContact CG1-CG 3.95Å; V535-Y538 HydrophobicContact CG2-CD2 4.25Å; V535-Y538 HydrophobicContact CG2-CE2 3.92Å; A536-Y538 PolarHBondContact O-N 3.45Å; Y538-E540 VanDerWaalsContact C-N 3.32Å
539	K	93.6	Very high	94.7	Very high	40 Å²	40	60 Å²	60	17%	0.174	30%	0.302	C	S	.	.	H	α-helix	trans	-72.6	-24.8	178.2	-66.9	-173.6	-68.4	-160.9	0	112.6	I528 N531 H533 A536 Y541 Y542 R545	I528-K539 HydrophobicContact CB-CG 4.42Å; I528-K539 HydrophobicContact CG1-CG 4.01Å; I528-K539 HydrophobicContact CG2-CB 4.48Å; I528-K539 HydrophobicContact CG2-CG 4.15Å; N531-K539 PolarHBondContact O-NZ 3.27Å; H533-K539 HydrophobicContact CB-CD 4.03Å; H533-K539 HydrophobicContact CB-CG 4.01Å; H533-K539 VanDerWaalsContact O-CE 3.25Å; H533-K539 WeakPolarHBondContact O-CE 3.41Å; H533-K539 PolarHBondContact O-NZ 2.96Å; A536-K539 WeakPolarHBondContact O-CA 3.5Å; A536-K539 WeakPolarHBondContact O-CB 3.31Å; A536-K539 PolarHBondContact O-N 3.37Å; K539-Y541 PolarHBondContact O-N 3.4Å; K539-Y542 PolarHBondContact O-N 2.82Å; K539-R545 PolarHBondContact O-NH1 3.23Å
540	E	93.7	Very high	94.7	Very high	147 Å²	147	60.9 Å²	60.9	69%	0.687	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-25.2	178.6	-67.1	177.5	-179.5	0	0	112.9	A536 Y538 Y542	A536-E540 PolarHBondContact O-N 2.97Å; Y538-E540 VanDerWaalsContact C-N 3.32Å; E540-Y542 PolarHBondContact O-N 3.32Å
541	Y	94.5	Very high	94.7	Very high	97 Å²	97	60 Å²	60	38%	0.38	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-7	175.9	-69.2	-92.5	0	0	0	114.5	L394 P395 K518 E537 K539	L394-Y541 HydrophobicContact CD1-CD2 3.73Å; L394-Y541 HydrophobicContact CD1-CE2 4.45Å; L394-Y541 HydrophobicContact CD1-CG 3.79Å; L394-Y541 HydrophobicContact CD2-CD2 3.96Å; L394-Y541 HydrophobicContact CD2-CE2 3.89Å; L394-Y541 HydrophobicContact CG-CD1 4.48Å; L394-Y541 HydrophobicContact CG-CD2 3.92Å; L394-Y541 HydrophobicContact CG-CE2 4.17Å; L394-Y541 HydrophobicContact CG-CG 4.09Å; P395-Y541 HydrophobicContact CG-CE1 3.98Å; K518-Y541 VanDerWaalsContact CD-O 3.29Å; K518-Y541 WeakPolarHBondContact CD-O 3.38Å; K518-Y541 PolarHBondContact NZ-O 3.3Å; E537-Y541 VanDerWaalsContact O-CD2 3.24Å; E537-Y541 WeakPolarHBondContact O-CD2 3.36Å; E537-Y541 WeakPolarHBondContact O-CE2 3.48Å; K539-Y541 PolarHBondContact O-N 3.4Å
542	Y	94.8	Very high	94.7	Very high	2 Å²	2	56.4 Å²	56.4	1%	0.008	28%	0.284	C	S	.	.			trans	-131.8	100.3	-175.1	-69.1	-85.8	0	0	0	109	L394 A513 P515 K518 L520 F525 I528 M529 K539 E540 R545	L394-Y542 HydrophobicContact CD1-CE2 4Å; A513-Y542 HydrophobicContact CB-CD1 4.06Å; A513-Y542 HydrophobicContact CB-CE1 4.15Å; P515-Y542 HydrophobicContact CB-CE1 4.41Å; K518-Y542 HydrophobicContact CD-CD1 4.26Å; K518-Y542 HydrophobicContact CD-CD2 4.47Å; K518-Y542 HydrophobicContact CD-CE1 3.8Å; K518-Y542 HydrophobicContact CD-CE2 4.03Å; K518-Y542 VanDerWaalsContact CE-CE1 3.43Å; K518-Y542 HydrophobicContact CG-CE1 4.23Å; K518-Y542 HydrophobicContact CG-CE2 4.36Å; K518-Y542 PolarHBondContact O-OH 3.19Å; L520-Y542 HydrophobicContact CD1-CE2 4.38Å; F525-Y542 AromaticContact CD2-CE1 3.95Å; F525-Y542 HydrophobicContact CD2-CE1 3.95Å; F525-Y542 AromaticContact CD2-CZ 3.88Å; F525-Y542 HydrophobicContact CE2-CD1 4.13Å; F525-Y542 AromaticContact CE2-CE1 3.54Å; F525-Y542 HydrophobicContact CE2-CE1 3.54Å; F525-Y542 AromaticContact CE2-CZ 3.98Å; I528-Y542 HydrophobicContact CD1-CD2 4.44Å; I528-Y542 HydrophobicContact CG2-CD2 3.72Å; I528-Y542 HydrophobicContact CG2-CG 3.9Å; M529-Y542 HydrophobicContact SD-CD1 3.96Å; M529-Y542 HydrophobicContact SD-CG 4.38Å; K539-Y542 PolarHBondContact O-N 2.82Å; E540-Y542 PolarHBondContact O-N 3.32Å; Y542-R545 VanDerWaalsContact O-CD 3.28Å; Y542-R545 WeakPolarHBondContact O-CD 3.26Å; Y542-R545 WeakPolarHBondContact O-CG 2.9Å; Y542-R545 PolarHBondContact O-NH1 3.17Å
543	E	89.8	Confident	94.6	Very high	185 Å²	185	54 Å²	54	86%	0.864	27%	0.273	S	S	*	.	S	Bend	trans	-69.6	-50	-171.7	-64.4	-175.4	176.5	0	0	112.9
544	S	92.4	Very high	94.5	Very high	77 Å²	77	57.2 Å²	57.2	54%	0.538	29%	0.294	S	S	.	.			trans	-80.2	118.9	173.2	-140	0	0	0	0	110.2	M529 D546	M529-S544 VanDerWaalsContact CE-O 3.26Å; M529-S544 WeakPolarHBondContact CE-O 3.44Å; S544-D546 PolarHBondContact OG-OD1 3.43Å
545	R	95.6	Very high	94.7	Very high	82 Å²	82	54.4 Å²	54.4	31%	0.309	28%	0.275	S	S	.	.			trans	-137.4	45.4	-178.8	-59	-176.8	-56.3	-80.2	-11.9	110.6	I528 M529 N531 K539 Y542	I528-R545 HydrophobicContact CG2-CG 4.44Å; I528-R545 WeakPolarHBondContact O-CB 3.2Å; I528-R545 WeakPolarHBondContact O-CD 3.46Å; I528-R545 WeakPolarHBondContact O-CG 3.28Å; M529-R545 CarbonylContact O-C 3.49Å; M529-R545 WeakPolarHBondContact O-CA 3.23Å; N531-R545 HydrophobicContact CB-CB 4Å; N531-R545 PolarHBondContact OD1-NE 3.17Å; K539-R545 PolarHBondContact O-NH1 3.23Å; Y542-R545 VanDerWaalsContact O-CD 3.28Å; Y542-R545 WeakPolarHBondContact O-CD 3.26Å; Y542-R545 WeakPolarHBondContact O-CG 2.9Å; Y542-R545 PolarHBondContact O-NH1 3.17Å
546	D	96.5	Very high	94.9	Very high	75 Å²	75	53.3 Å²	53.3	40%	0.401	27%	0.268	S	S	.	.			trans	-105.3	15.3	-172.3	65	-64	0	0	0	113.4	K509 M529 S544 K548	K509-D546 WeakPolarHBondContact CE-OD2 3.49Å; K509-D546 IonicContact NZ-OD2 3.84Å; K509-D546 PolarHBondContact NZ-OD2 3.09Å; M529-D546 PolarHBondContact O-N 3.3Å; S544-D546 PolarHBondContact OG-OD1 3.43Å; D546-K548 PolarHBondContact O-N 3.05Å
547	L	98.3	Very high	95.1	Very high	9 Å²	9	51 Å²	51	5%	0.047	25%	0.249	C	C	.	.			trans	-63.1	125.2	-179.8	-170.6	83.4	0	0	0	110.9	E464 L465 K509 L510 M529 Y530 A549	E464-L547 HydrophobicContact CB-CD1 3.94Å; E464-L547 HydrophobicContact CB-CG 4.37Å; E464-L547 WeakPolarHBondContact OE2-CA 3.24Å; L465-L547 HydrophobicContact CB-CD2 4.09Å; L465-L547 HydrophobicContact CD2-CD2 4.04Å; K509-L547 HydrophobicContact CB-CD1 4.18Å; K509-L547 HydrophobicContact CD-CD1 4.36Å; L510-L547 HydrophobicContact CD2-CD1 4.27Å; L510-L547 HydrophobicContact CD2-CD2 3.92Å; L510-L547 HydrophobicContact CG-CD1 4.39Å; M529-L547 HydrophobicContact CB-CB 4.13Å; M529-L547 HydrophobicContact CB-CD2 4.19Å; M529-L547 WeakPolarHBondContact O-CB 3.49Å; M529-L547 PolarHBondContact O-N 3.31Å; Y530-L547 WeakPolarHBondContact CB-O 3.2Å; Y530-L547 HydrophobicContact CD1-CD2 4.27Å; L547-A549 PolarHBondContact O-N 2.7Å; L547-A549 VanDerWaalsContact O-N 3.11Å
548	K	98.4	Very high	95.1	Very high	58 Å²	58	47 Å²	47	25%	0.252	23%	0.229	S	C	.	.			trans	-82.3	88	-180	-57.6	-174.8	-153	102.1	0	111.4	D462 E464 L465 E505 D546 F550	D462-K548 HydrophobicContact CB-CD 4.19Å; D462-K548 VanDerWaalsContact CG-CD 3.48Å; D462-K548 WeakPolarHBondContact OD1-CD 3.03Å; D462-K548 WeakPolarHBondContact OD1-CE 3.34Å; D462-K548 IonicContact OD1-NZ 3.24Å; D462-K548 PolarHBondContact OD1-NZ 2.76Å; D462-K548 WeakPolarHBondContact OD2-CE 3.22Å; D462-K548 IonicContact OD2-NZ 3.95Å; D462-K548 PolarHBondContact OD2-NZ 3.15Å; E464-K548 HydrophobicContact CB-CB 4.18Å; E464-K548 HydrophobicContact CG-CB 4.14Å; E464-K548 HydrophobicContact CG-CG 4.48Å; E464-K548 PolarHBondContact N-O 3.39Å; E464-K548 WeakPolarHBondContact OE1-CE 3.28Å; E464-K548 WeakPolarHBondContact OE1-CG 3.32Å; E464-K548 IonicContact OE1-NZ 3.94Å; E464-K548 PolarHBondContact OE1-NZ 3.17Å; E464-K548 PolarHBondContact OE2-N 2.82Å; L465-K548 PolarHBondContact N-O 2.94Å; L465-K548 VanDerWaalsContact N-O 3.11Å; E505-K548 IonicContact OE1-NZ 3.7Å; D546-K548 PolarHBondContact O-N 3.05Å; K548-F550 HydrophobicContact CB-CE2 4.35Å
549	A	98.2	Very high	95	Very high	12 Å²	12	46.4 Å²	46.4	10%	0.099	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	129.8	-174.2	0	0	0	0	0	114.8	L465 A491 Y530 L547	L465-A549 HydrophobicContact CB-CB 4.29Å; L465-A549 HydrophobicContact CD2-CB 4.31Å; L465-A549 CarbonylContact O-C 3.58Å; L465-A549 WeakPolarHBondContact O-CA 3.49Å; A491-A549 HydrophobicContact CB-CB 4.12Å; A491-A549 PolarHBondContact N-O 3.14Å; Y530-A549 HydrophobicContact CD1-CB 3.41Å; Y530-A549 VanDerWaalsContact CD1-CB 3.41Å; Y530-A549 HydrophobicContact CD2-CB 3.86Å; Y530-A549 HydrophobicContact CE1-CB 3.92Å; Y530-A549 HydrophobicContact CE2-CB 4.31Å; Y530-A549 HydrophobicContact CG-CB 3.4Å; Y530-A549 VanDerWaalsContact CG-CB 3.4Å; L547-A549 PolarHBondContact O-N 2.7Å; L547-A549 VanDerWaalsContact O-N 3.11Å
550	F	98.3	Very high	94.8	Very high	23 Å²	23	45.6 Å²	45.6	10%	0.101	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	174.3	177.8	-59.4	-84	0	0	0	111.6	L461 W463 L465 I466 Y467 V482 L488 V489 E490 K548	L461-F550 HydrophobicContact CD1-CE1 4.46Å; L461-F550 HydrophobicContact CD1-CZ 3.96Å; L461-F550 HydrophobicContact CD2-CD2 4.43Å; L461-F550 HydrophobicContact CD2-CE1 4.36Å; L461-F550 HydrophobicContact CD2-CE2 4.16Å; L461-F550 HydrophobicContact CD2-CZ 4.12Å; L461-F550 HydrophobicContact CG-CE2 4.37Å; L461-F550 HydrophobicContact CG-CZ 4.27Å; W463-F550 HydrophobicContact CB-CD2 3.77Å; W463-F550 HydrophobicContact CB-CE2 3.77Å; L465-F550 PolarHBondContact O-N 2.87Å; I466-F550 CarbonylContact C-O 3.56Å; I466-F550 WeakPolarHBondContact CA-O 2.97Å; I466-F550 HydrophobicContact CG1-CB 4.33Å; Y467-F550 PolarHBondContact N-O 3.48Å; V482-F550 HydrophobicContact CG2-CD1 3.51Å; V482-F550 HydrophobicContact CG2-CE1 3.64Å; L488-F550 HydrophobicContact CD1-CB 3.91Å; L488-F550 HydrophobicContact CD2-CB 4.28Å; L488-F550 HydrophobicContact CD2-CD1 4.31Å; L488-F550 HydrophobicContact CD2-CG 4.3Å; L488-F550 HydrophobicContact CG-CB 4.14Å; V489-F550 CarbonylContact O-C 2.93Å; V489-F550 VanDerWaalsContact O-CA 3.28Å; V489-F550 WeakPolarHBondContact O-CA 3.24Å; V489-F550 WeakPolarHBondContact O-CB 3.35Å; E490-F550 HydrophobicContact CG-CD1 4.35Å; E490-F550 HydrophobicContact CG-CE1 4.09Å; K548-F550 HydrophobicContact CB-CE2 4.35Å
551	S	97.4	Very high	94.4	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	140.4	175	-178.6	0	0	0	0	111	Y467 R470 L488 V489	Y467-S551 CarbonylContact O-C 3.5Å; Y467-S551 WeakPolarHBondContact O-CA 3.36Å; R470-S551 PolarHBondContact NE-OG 2.95Å; R470-S551 PolarHBondContact NH2-OG 2.97Å; L488-S551 WeakPolarHBondContact CD1-O 3.39Å; V489-S551 PolarHBondContact N-O 2.99Å; V489-S551 PolarHBondContact O-N 3.27Å
552	A	96.8	Very high	93.8	Very high	2 Å²	2	36.3 Å²	36.3	2%	0.017	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.8	141.8	161.1	0	0	0	0	0	110	L452 Y467 N487 L556	L452-A552 HydrophobicContact CD2-CB 3.87Å; Y467-A552 PolarHBondContact O-N 2.82Å; N487-A552 CarbonylContact O-C 3.56Å; N487-A552 WeakPolarHBondContact O-CA 3.41Å; A552-L556 HydrophobicContact CB-CD1 4.32Å; A552-L556 HydrophobicContact CB-CG 4.12Å
553	E	92.1	Very high	92.6	Very high	24 Å²	24	36.8 Å²	36.8	11%	0.112	19%	0.189	C	C	.	.	S	Bend	trans	-147	109.7	177	178.2	66.2	-113.4	0	0	109.4	R472 N487 V489 N607 A610	R472-E553 IonicContact NH1-OE2 3.64Å; N487-E553 CarbonylContact C-O 3.52Å; N487-E553 WeakPolarHBondContact CA-O 3.45Å; N487-E553 VanDerWaalsContact CB-O 3.25Å; N487-E553 WeakPolarHBondContact CB-O 3.48Å; N487-E553 PolarHBondContact O-N 3.5Å; V489-E553 HydrophobicContact CG1-CB 3.89Å; V489-E553 HydrophobicContact CG1-CG 4.21Å; V489-E553 HydrophobicContact CG2-CB 4.19Å; E553-N607 HydrophobicContact CG-CB 3.62Å; E553-N607 VanDerWaalsContact OE2-CB 3.24Å; E553-N607 WeakPolarHBondContact OE2-CB 3.25Å; E553-A610 HydrophobicContact CB-CB 4.16Å; E553-A610 HydrophobicContact CG-CB 3.67Å
554	P	92.5	Very high	91.6	Very high	68 Å²	68	30.9 Å²	30.9	44%	0.442	18%	0.178	S	C	.	.	S	Bend	cis	-67.1	157.6	1.3	30.2	-36.7	0	0	0	112.7
555	L	94.3	Very high	90.7	Very high	20 Å²	20	31.7 Å²	31.7	11%	0.105	17%	0.173	C	C	.	.			trans	-59.5	151	173.3	-65.6	170.6	0	0	0	111.2	R470 Y558	R470-L555 HydrophobicContact CG-CD1 4.49Å; R470-L555 HydrophobicContact CG-CD2 3.9Å; R470-L555 WeakPolarHBondContact O-CD1 3.27Å; L555-Y558 HydrophobicContact CB-CE1 3.81Å; L555-Y558 HydrophobicContact CD1-CE1 4.3Å; L555-Y558 WeakPolarHBondContact O-CE2 3.25Å; L555-Y558 PolarHBondContact O-OH 3.12Å
556	L	96.5	Very high	89.8	Confident	10 Å²	10	33.6 Å²	33.6	5%	0.052	20%	0.196	C	C	.	.	S	Bend	trans	-102.5	-19.4	-177.6	-58.7	-179.7	0	0	0	112.1	E442 F445 K448 L449 I468 A552	E442-L556 VanDerWaalsContact CB-O 3.31Å; E442-L556 WeakPolarHBondContact CB-O 3.28Å; E442-L556 PolarHBondContact N-O 2.83Å; F445-L556 HydrophobicContact CD2-CB 3.8Å; F445-L556 WeakPolarHBondContact CD2-O 3.24Å; F445-L556 HydrophobicContact CE2-CB 3.83Å; K448-L556 HydrophobicContact CB-CD2 3.75Å; K448-L556 HydrophobicContact CD-CD2 4.03Å; L449-L556 HydrophobicContact CB-CD1 3.97Å; L449-L556 HydrophobicContact CD1-CD1 4.05Å; I468-L556 HydrophobicContact CB-CB 4.38Å; I468-L556 HydrophobicContact CG2-CD1 4.45Å; I468-L556 PolarHBondContact O-N 2.65Å; A552-L556 HydrophobicContact CB-CD1 4.32Å; A552-L556 HydrophobicContact CB-CG 4.12Å
557	I	95.4	Very high	88.8	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	138.8	179.4	-61.9	-170	0	0	0	109.8	I435 V439 R440 F441 F445 I468 G469 L498	I435-I557 HydrophobicContact CG2-CD1 3.62Å; V439-I557 HydrophobicContact CB-CG2 3.4Å; V439-I557 VanDerWaalsContact CB-CG2 3.4Å; V439-I557 HydrophobicContact CG1-CG2 3.75Å; V439-I557 HydrophobicContact CG2-CG2 3.72Å; R440-I557 WeakPolarHBondContact O-CA 3.45Å; F441-I557 HydrophobicContact CD1-CD1 3.96Å; F441-I557 HydrophobicContact CD1-CG1 3.92Å; F441-I557 HydrophobicContact CE1-CD1 3.59Å; F441-I557 HydrophobicContact CE1-CG1 4.08Å; F441-I557 HydrophobicContact CZ-CD1 4.44Å; F445-I557 HydrophobicContact CD2-CG1 4.13Å; F445-I557 HydrophobicContact CE2-CD1 3.8Å; F445-I557 HydrophobicContact CE2-CG1 3.56Å; F445-I557 HydrophobicContact CZ-CD1 3.91Å; F445-I557 HydrophobicContact CZ-CG1 4.2Å; I468-I557 HydrophobicContact CD1-CD1 3.42Å; I468-I557 VanDerWaalsContact CD1-CD1 3.42Å; I468-I557 HydrophobicContact CD1-CG1 3.97Å; I468-I557 HydrophobicContact CG1-CD1 4.09Å; I468-I557 HydrophobicContact CG1-CG1 4.35Å; I468-I557 PolarHBondContact O-N 2.89Å; G469-I557 WeakPolarHBondContact CA-O 3.48Å; L498-I557 HydrophobicContact CB-CG2 4.42Å
558	Y	94.1	Very high	88	Confident	33 Å²	33	35 Å²	35	13%	0.129	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	158.5	-178.6	-61.6	-79.2	0	0	0	110	V439 R440 E442 L555 Y602	V439-Y558 CarbonylContact C-O 3.6Å; V439-Y558 VanDerWaalsContact CA-O 3.3Å; V439-Y558 WeakPolarHBondContact CA-O 3.42Å; R440-Y558 PolarHBondContact N-O 3.16Å; R440-Y558 PolarHBondContact O-N 2.74Å; E442-Y558 HydrophobicContact CB-CE2 4.16Å; L555-Y558 HydrophobicContact CB-CE1 3.81Å; L555-Y558 HydrophobicContact CD1-CE1 4.3Å; L555-Y558 WeakPolarHBondContact O-CE2 3.25Å; L555-Y558 PolarHBondContact O-OH 3.12Å; Y558-Y602 WeakPolarHBondContact CD1-OH 3.23Å; Y558-Y602 WeakPolarHBondContact CE1-OH 3.35Å
559	P	91.9	Very high	87.1	Confident	10 Å²	10	35.9 Å²	35.9	7%	0.065	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	148.4	169.7	32.1	-35.1	0	0	0	109.5	R440 W496 L498 H561 Y562	R440-P559 PolarHBondContact NE-O 3.48Å; W496-P559 HydrophobicContact CE3-CG 4.43Å; W496-P559 HydrophobicContact CH2-CG 4.3Å; W496-P559 HydrophobicContact CZ3-CG 3.83Å; L498-P559 HydrophobicContact CD1-CB 4.43Å; L498-P559 HydrophobicContact CD1-CG 4.45Å; L498-P559 HydrophobicContact CD2-CB 4.39Å; P559-H561 VanDerWaalsContact C-N 3.28Å; P559-Y562 HydrophobicContact CG-CD1 4.12Å; P559-Y562 HydrophobicContact CG-CD2 4.21Å; P559-Y562 HydrophobicContact CG-CE1 3.77Å; P559-Y562 HydrophobicContact CG-CE2 3.85Å; P559-Y562 HydrophobicContact CG-CG 4.31Å
560	T	89.3	Confident	86.2	Confident	24 Å²	24	35.8 Å²	35.8	15%	0.147	22%	0.22	C	C	.	.	S	Bend	trans	-57.7	-45.8	168.8	45.5	0	0	0	0	110.9	I318 R358 D438 V439 R440	I318-T560 HydrophobicContact CG1-CG2 4.15Å; I318-T560 HydrophobicContact CG2-CG2 3.89Å; R358-T560 VanDerWaalsContact NH1-CG2 3.27Å; D438-T560 WeakPolarHBondContact O-CB 3.36Å; D438-T560 VanDerWaalsContact O-CG2 3.24Å; D438-T560 WeakPolarHBondContact O-CG2 3.48Å; D438-T560 PolarHBondContact O-N 2.94Å; D438-T560 PolarHBondContact O-OG1 3.11Å; V439-T560 WeakPolarHBondContact O-CG2 3.43Å; R440-T560 HydrophobicContact CB-CG2 4.38Å
561	H	84.9	Confident	85.4	Confident	31 Å²	31	35.6 Å²	35.6	14%	0.144	22%	0.22	C	C	.	.	S	Bend	trans	-130.1	136.5	-176.6	-66.4	89.5	0	0	0	111.1	D319 P559 P566 Y568	D319-H561 IonicContact OD1-CE1 3.43Å; D319-H561 PolarHBondContact OD1-CE1 3.11Å; D319-H561 IonicContact OD1-NE2 2.79Å; D319-H561 PolarHBondContact OD1-NE2 3.02Å; P559-H561 VanDerWaalsContact C-N 3.28Å; H561-P566 PolarHBondContact CD2-O 2.9Å; H561-P566 PolarHBondContact NE2-O 3.15Å; H561-Y568 HydrophobicContact CB-CD2 4.15Å; H561-Y568 WeakPolarHBondContact O-CD2 3.37Å
562	Y	82.2	Confident	84.3	Confident	18 Å²	18	37.7 Å²	37.7	7%	0.071	23%	0.233	C	C	.	.			trans	-91.6	148.8	172.3	-66.9	-101.5	0	0	0	110.4	W496 P559 G564 Q565 Y602	W496-Y562 AromaticContact CH2-CD1 3.93Å; W496-Y562 HydrophobicContact CH2-CD1 3.93Å; W496-Y562 HydrophobicContact CH2-CE1 4.23Å; W496-Y562 HydrophobicContact CZ3-CD1 4.3Å; W496-Y562 HydrophobicContact CZ3-CE1 4.13Å; P559-Y562 HydrophobicContact CG-CD1 4.12Å; P559-Y562 HydrophobicContact CG-CD2 4.21Å; P559-Y562 HydrophobicContact CG-CE1 3.77Å; P559-Y562 HydrophobicContact CG-CE2 3.85Å; P559-Y562 HydrophobicContact CG-CG 4.31Å; Y562-G564 PolarHBondContact O-N 2.71Å; Y562-G564 VanDerWaalsContact O-N 3.15Å; Y562-Q565 VanDerWaalsContact O-CB 3.32Å; Y562-Q565 WeakPolarHBondContact O-CB 3.29Å; Y562-Q565 WeakPolarHBondContact O-CG 3.29Å; Y562-Q565 PolarHBondContact O-N 2.73Å; Y562-Y602 HydrophobicContact CD1-CD1 4.43Å; Y562-Y602 AromaticContact CE1-CD1 3.71Å; Y562-Y602 HydrophobicContact CE1-CD1 3.71Å; Y562-Y602 HydrophobicContact CE1-CD2 4.15Å; Y562-Y602 AromaticContact CE1-CE1 3.71Å; Y562-Y602 HydrophobicContact CE1-CE1 3.71Å; Y562-Y602 HydrophobicContact CE1-CE2 4.14Å; Y562-Y602 AromaticContact CE1-CG 3.95Å; Y562-Y602 HydrophobicContact CE1-CG 3.95Å; Y562-Y602 AromaticContact CE1-CZ 3.95Å; Y562-Y602 AromaticContact CZ-CE1 3.75Å; Y562-Y602 AromaticContact CZ-CZ 3.88Å; Y562-Y602 WeakPolarHBondContact OH-CE1 3.47Å; Y562-Y602 PolarHBondContact OH-OH 2.98Å; Y562-Y602 VanDerWaalsContact OH-OH 3.11Å
563	T	70.4	Confident	83.3	Confident	12 Å²	12	39.5 Å²	39.5	7%	0.074	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50	119.9	-179.5	-41.8	0	0	0	0	112.2	Y568 S595	T563-Y568 HydrophobicContact CG2-CD1 4.28Å; T563-Y568 HydrophobicContact CG2-CE1 3.67Å; T563-Y568 PolarHBondContact OG1-OH 3.11Å; T563-S595 VanDerWaalsContact CG2-CB 3.45Å
564	G	68.8	Low	82.5	Confident	61 Å²	61	39.4 Å²	39.4	63%	0.629	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	88.5	3.6	-178.5	0	0	0	0	0	115.9	Y562	Y562-G564 PolarHBondContact O-N 2.71Å; Y562-G564 VanDerWaalsContact O-N 3.15Å
565	Q	73.2	Confident	81.9	Confident	93 Å²	93	36.7 Å²	36.7	44%	0.435	23%	0.225	S	C	.	.	S	Bend	trans	-77.1	150.5	161.5	-68.3	180	-32.4	0	0	110.4	Y562 Y568	Y562-Q565 VanDerWaalsContact O-CB 3.32Å; Y562-Q565 WeakPolarHBondContact O-CB 3.29Å; Y562-Q565 WeakPolarHBondContact O-CG 3.29Å; Y562-Q565 PolarHBondContact O-N 2.73Å; Q565-Y568 WeakPolarHBondContact O-CB 3.38Å; Q565-Y568 PolarHBondContact O-N 2.91Å
566	P	76.1	Confident	81.2	Confident	122 Å²	122	37 Å²	37	79%	0.792	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.4	141.7	164.5	-21.1	33.3	0	0	0	109.9	H561 Y568	H561-P566 PolarHBondContact CD2-O 2.9Å; H561-P566 PolarHBondContact NE2-O 3.15Å; P566-Y568 VanDerWaalsContact C-N 3.32Å; P566-Y568 PolarHBondContact O-N 3.11Å
567	G	76.3	Confident	80.6	Confident	61 Å²	61	37.8 Å²	37.8	63%	0.629	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	86.6	-16.6	-177.5	0	0	0	0	0	115.8
568	Y	80.5	Confident	79.9	Confident	53 Å²	53	40.3 Å²	40.3	21%	0.208	24%	0.241	C	C	.	.			trans	-64.1	135.2	176.8	-178.1	-98.4	0	0	0	113	H561 T563 Q565 P566 D588	H561-Y568 HydrophobicContact CB-CD2 4.15Å; H561-Y568 WeakPolarHBondContact O-CD2 3.37Å; T563-Y568 HydrophobicContact CG2-CD1 4.28Å; T563-Y568 HydrophobicContact CG2-CE1 3.67Å; T563-Y568 PolarHBondContact OG1-OH 3.11Å; Q565-Y568 WeakPolarHBondContact O-CB 3.38Å; Q565-Y568 PolarHBondContact O-N 2.91Å; P566-Y568 VanDerWaalsContact C-N 3.32Å; P566-Y568 PolarHBondContact O-N 3.11Å; Y568-D588 HydrophobicContact CE1-CB 4.5Å; Y568-D588 WeakPolarHBondContact CE1-OD1 3.4Å
569	L	79.6	Confident	79.2	Confident	76 Å²	76	43.3 Å²	43.3	40%	0.398	26%	0.259	S	S	.	.			trans	-154.9	122.2	176.9	172	63	0	0	0	109.8	R355	R355-L569 PolarHBondContact NH2-O 3.45Å
570	S	80.3	Confident	78.6	Confident	11 Å²	11	45.8 Å²	45.8	8%	0.077	27%	0.272	C	S	.	.			trans	-102.3	118.7	174.9	-175.3	0	0	0	0	111.6	T572 E573 T574 D588	S570-T572 VanDerWaalsContact C-N 3.3Å; S570-T572 PolarHBondContact OG-N 2.86Å; S570-T572 PolarHBondContact OG-OG1 3.49Å; S570-E573 PolarHBondContact OG-N 2.79Å; S570-E573 VanDerWaalsContact OG-N 3.16Å; S570-T574 WeakPolarHBondContact O-CB 3.14Å; S570-T574 PolarHBondContact O-N 2.95Å; S570-T574 PolarHBondContact O-OG1 2.72Å; S570-D588 WeakPolarHBondContact CB-OD1 3.48Å; S570-D588 WeakPolarHBondContact CB-OD2 3.42Å; S570-D588 PolarHBondContact N-OD2 3.23Å
571	D	81.9	Confident	78.1	Confident	19 Å²	19	49.1 Å²	49.1	10%	0.102	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-11.7	173.1	-90.6	-54.1	0	0	0	113.4	L349 R351 R352 K379	L349-D571 HydrophobicContact CD1-CB 3.79Å; R351-D571 IonicContact CZ-OD1 3.3Å; R351-D571 IonicContact NE-OD1 3Å; R351-D571 IonicContact NH2-OD1 2.84Å; R351-D571 PolarHBondContact NH2-OD1 3.33Å; R351-D571 IonicContact NH2-OD2 2.91Å; R352-D571 WeakPolarHBondContact CD-OD2 3.46Å; R352-D571 IonicContact CZ-OD2 3.15Å; R352-D571 IonicContact NE-OD2 2.72Å; R352-D571 IonicContact NH1-OD2 2.71Å; R352-D571 PolarHBondContact NH1-OD2 3.44Å; K379-D571 IonicContact NZ-OD1 3.35Å; K379-D571 PolarHBondContact NZ-OD1 3.06Å
572	T	73.9	Confident	77.6	Confident	43 Å²	43	53.4 Å²	53.4	26%	0.264	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-50.9	172	55.6	0	0	0	0	111	T407 C413 S570 T574 S575	T407-T572 PolarHBondContact OG1-O 3.46Å; C413-T572 HydrophobicContact CB-CG2 3.82Å; S570-T572 VanDerWaalsContact C-N 3.3Å; S570-T572 PolarHBondContact OG-N 2.86Å; S570-T572 PolarHBondContact OG-OG1 3.49Å; T572-T574 PolarHBondContact O-N 2.67Å; T572-S575 PolarHBondContact O-OG 2.96Å
573	E	75.9	Confident	77.5	Confident	41 Å²	41	55.6 Å²	55.6	19%	0.192	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-21.1	-176.5	-63	-172.5	-135.4	0	0	114.1	S570 T585 W587	S570-E573 PolarHBondContact OG-N 2.79Å; S570-E573 VanDerWaalsContact OG-N 3.16Å; E573-T585 WeakPolarHBondContact O-CB 3.26Å; E573-T585 PolarHBondContact O-OG1 2.94Å; E573-W587 HydrophobicContact CB-CB 4.5Å
574	T	74.9	Confident	77.8	Confident	22 Å²	22	58.7 Å²	58.7	14%	0.135	36%	0.357	C	S	.	.	S	Bend	trans	-99.4	67.6	176.9	62.8	0	0	0	0	113.2	K379 S570 T572 T585 D588	K379-T574 WeakPolarHBondContact CE-O 3.29Å; K379-T574 PolarHBondContact NZ-O 2.9Å; K379-T574 PolarHBondContact NZ-OG1 2.73Å; S570-T574 WeakPolarHBondContact O-CB 3.14Å; S570-T574 PolarHBondContact O-N 2.95Å; S570-T574 PolarHBondContact O-OG1 2.72Å; T572-T574 PolarHBondContact O-N 2.67Å; T574-T585 CarbonylContact C-O 3.58Å; T574-T585 VanDerWaalsContact CA-O 3.28Å; T574-T585 WeakPolarHBondContact CA-O 3.2Å; T574-D588 HydrophobicContact CG2-CB 4.27Å
575	S	79	Confident	78	Confident	10 Å²	10	56.1 Å²	56.1	7%	0.07	33%	0.329	C	S	.	.	S	Bend	trans	-136.7	-123.4	-178.7	62.4	0	0	0	0	112.1	G409 T572 A584 T585	G409-S575 PolarHBondContact N-OG 2.88Å; T572-S575 PolarHBondContact O-OG 2.96Å; S575-A584 WeakPolarHBondContact O-CA 3.16Å; S575-T585 PolarHBondContact N-OG1 2.92Å; S575-T585 PolarHBondContact O-N 2.76Å
576	T	79.9	Confident	77.8	Confident	27 Å²	27	54.8 Å²	54.8	17%	0.166	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	161.1	171.1	61.3	0	0	0	0	109	T407 R408 E581 V583	T407-T576 CarbonylContact C-O 3.51Å; T407-T576 WeakPolarHBondContact CA-O 2.94Å; R408-T576 WeakPolarHBondContact CD-OG1 3.48Å; R408-T576 PolarHBondContact N-O 3.45Å; T576-E581 WeakPolarHBondContact CG2-O 3.49Å; T576-V583 VanDerWaalsContact CA-O 3.27Å; T576-V583 WeakPolarHBondContact CA-O 3.48Å; T576-V583 WeakPolarHBondContact CB-O 3.49Å
577	I	83.3	Confident	77.4	Confident	26 Å²	26	51.4 Å²	51.4	13%	0.133	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	150.6	172	71.3	-179	0	0	0	110.6	P405 D579 N580 V583 T585 W587	P405-I577 HydrophobicContact CG-CG2 4.25Å; I577-D579 VanDerWaalsContact C-N 3.34Å; I577-D579 WeakPolarHBondContact CD1-OD1 3.31Å; I577-D579 WeakPolarHBondContact CG1-OD1 3.37Å; I577-D579 PolarHBondContact O-N 3.29Å; I577-N580 HydrophobicContact CD1-CB 3.94Å; I577-N580 HydrophobicContact CG1-CB 3.86Å; I577-N580 PolarHBondContact O-N 3Å; I577-V583 HydrophobicContact CD1-CB 3.91Å; I577-V583 HydrophobicContact CD1-CG1 4.1Å; I577-V583 HydrophobicContact CD1-CG2 4.22Å; I577-V583 HydrophobicContact CG1-CB 4.03Å; I577-V583 HydrophobicContact CG1-CG1 4.43Å; I577-V583 HydrophobicContact CG2-CG1 4.18Å; I577-V583 PolarHBondContact N-O 2.68Å; I577-T585 HydrophobicContact CG2-CG2 3.82Å; I577-W587 HydrophobicContact CG2-CH2 4.11Å; I577-W587 HydrophobicContact CG2-CZ2 4.15Å
578	W	81.4	Confident	76.6	Confident	54 Å²	54	49.4 Å²	49.4	21%	0.205	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-44.1	-170.6	75.2	-69.4	0	0	0	113.9	L386 M393 L406 R408 I411	L386-W578 WeakPolarHBondContact CD1-O 3.26Å; M393-W578 HydrophobicContact CB-CD2 3.78Å; M393-W578 HydrophobicContact CB-CE3 4.07Å; M393-W578 HydrophobicContact CB-CG 4.37Å; M393-W578 HydrophobicContact CB-CH2 4.08Å; M393-W578 HydrophobicContact CB-CZ2 3.79Å; M393-W578 HydrophobicContact CB-CZ3 4.21Å; M393-W578 HydrophobicContact CE-CZ2 4.37Å; L406-W578 HydrophobicContact CB-CB 4.35Å; L406-W578 HydrophobicContact CB-CG 4.37Å; L406-W578 HydrophobicContact CD2-CB 4.48Å; L406-W578 HydrophobicContact CG-CB 4.33Å; L406-W578 WeakPolarHBondContact O-CB 3.44Å; L406-W578 PolarHBondContact O-N 3.47Å; R408-W578 VanDerWaalsContact CZ-O 3.3Å; R408-W578 PolarHBondContact NE-O 2.93Å; R408-W578 PolarHBondContact NH2-O 3.18Å; I411-W578 HydrophobicContact CD1-CB 3.7Å
579	D	80.2	Confident	75.3	Confident	96 Å²	96	56.4 Å²	56.4	51%	0.513	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-9	-173.6	58.1	-12.3	0	0	0	115	I577	I577-D579 VanDerWaalsContact C-N 3.34Å; I577-D579 WeakPolarHBondContact CD1-OD1 3.31Å; I577-D579 WeakPolarHBondContact CG1-OD1 3.37Å; I577-D579 PolarHBondContact O-N 3.29Å
580	N	78.5	Confident	73.8	Confident	62 Å²	62	57.3 Å²	57.3	33%	0.332	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	110.8	-177.5	-170	-9	0	0	0	113.8	I577 T582 V583	I577-N580 HydrophobicContact CD1-CB 3.94Å; I577-N580 HydrophobicContact CG1-CB 3.86Å; I577-N580 PolarHBondContact O-N 3Å; N580-T582 PolarHBondContact ND2-OG1 3.35Å; N580-T582 PolarHBondContact O-N 3.06Å; N580-T582 WeakPolarHBondContact OD1-CB 3.39Å; N580-T582 PolarHBondContact OD1-N 3.3Å; N580-T582 PolarHBondContact OD1-OG1 3.06Å; N580-V583 HydrophobicContact CB-CG2 4.41Å; N580-V583 PolarHBondContact O-N 2.85Å
581	E	77.9	Confident	72.5	Confident	93 Å²	93	60.7 Å²	60.7	44%	0.435	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	-19.8	178.1	-70.8	166.8	-153.5	0	0	114.3	N382 T383 R408 T576	N382-E581 WeakPolarHBondContact CA-OE1 3.32Å; T383-E581 WeakPolarHBondContact CB-OE1 3.48Å; T383-E581 PolarHBondContact N-OE1 2.84Å; T383-E581 PolarHBondContact OG1-OE1 3.36Å; R408-E581 VanDerWaalsContact CZ-CG 3.49Å; R408-E581 IonicContact CZ-OE1 3.49Å; R408-E581 VanDerWaalsContact NH1-CD 3.28Å; R408-E581 IonicContact NH1-OE1 3.91Å; R408-E581 PolarHBondContact NH1-OE1 2.79Å; R408-E581 IonicContact NH2-OE1 3.94Å; R408-E581 PolarHBondContact NH2-OE1 2.94Å; T576-E581 WeakPolarHBondContact CG2-O 3.49Å
582	T	76.2	Confident	70.8	Confident	122 Å²	122	61.6 Å²	61.6	75%	0.748	33%	0.33	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.4	-11.5	-178.7	67.1	0	0	0	0	113.5	N580	N580-T582 PolarHBondContact ND2-OG1 3.35Å; N580-T582 PolarHBondContact O-N 3.06Å; N580-T582 WeakPolarHBondContact OD1-CB 3.39Å; N580-T582 PolarHBondContact OD1-N 3.3Å; N580-T582 PolarHBondContact OD1-OG1 3.06Å
583	V	78.6	Confident	69.3	Low	63 Å²	63	68.4 Å²	68.4	38%	0.382	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	91.4	179.7	-177.6	0	0	0	0	109.3	T576 I577 N580	T576-V583 VanDerWaalsContact CA-O 3.27Å; T576-V583 WeakPolarHBondContact CA-O 3.48Å; T576-V583 WeakPolarHBondContact CB-O 3.49Å; I577-V583 HydrophobicContact CD1-CB 3.91Å; I577-V583 HydrophobicContact CD1-CG1 4.1Å; I577-V583 HydrophobicContact CD1-CG2 4.22Å; I577-V583 HydrophobicContact CG1-CB 4.03Å; I577-V583 HydrophobicContact CG1-CG1 4.43Å; I577-V583 HydrophobicContact CG2-CG1 4.18Å; I577-V583 PolarHBondContact N-O 2.68Å; N580-V583 HydrophobicContact CB-CG2 4.41Å; N580-V583 PolarHBondContact O-N 2.85Å
584	A	76.9	Confident	67.9	Low	78 Å²	78	70.8 Å²	70.8	65%	0.645	36%	0.361	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.4	145.4	172.9	0	0	0	0	0	111.7	S575	S575-A584 WeakPolarHBondContact O-CA 3.16Å
585	T	73.9	Confident	66.6	Low	7 Å²	7	70.3 Å²	70.3	4%	0.043	36%	0.358	C	S	.	.			trans	-108.3	130.5	173	67	0	0	0	0	109.9	T407 E573 T574 S575 I577 W587	T407-T585 HydrophobicContact CG2-CG2 4.13Å; E573-T585 WeakPolarHBondContact O-CB 3.26Å; E573-T585 PolarHBondContact O-OG1 2.94Å; T574-T585 CarbonylContact C-O 3.58Å; T574-T585 VanDerWaalsContact CA-O 3.28Å; T574-T585 WeakPolarHBondContact CA-O 3.2Å; S575-T585 PolarHBondContact N-OG1 2.92Å; S575-T585 PolarHBondContact O-N 2.76Å; I577-T585 HydrophobicContact CG2-CG2 3.82Å; T585-W587 HydrophobicContact CG2-CD2 3.99Å; T585-W587 HydrophobicContact CG2-CE3 4.23Å; T585-W587 HydrophobicContact CG2-CH2 3.72Å; T585-W587 HydrophobicContact CG2-CZ2 3.39Å; T585-W587 HydrophobicContact CG2-CZ3 4.12Å
586	D	69.4	Low	65	Low	64 Å²	64	78.5 Å²	78.5	34%	0.342	39%	0.388	S	S	.	.			trans	-133.4	64.7	168.8	-171.6	-8.4	0	0	0	107.1	R589 T590	D586-R589 WeakPolarHBondContact OD1-CB 3.34Å; D586-R589 WeakPolarHBondContact OD1-CD 3.4Å; D586-R589 WeakPolarHBondContact OD1-CG 3.33Å; D586-R589 WeakPolarHBondContact OD2-CD 3.31Å; D586-R589 IonicContact OD2-NH1 2.71Å; D586-R589 PolarHBondContact OD2-NH1 3.23Å; D586-T590 WeakPolarHBondContact O-CG2 3.41Å; D586-T590 PolarHBondContact O-N 3.38Å; D586-T590 PolarHBondContact O-OG1 2.75Å
587	W	66.2	Low	63.6	Low	51 Å²	51	83.3 Å²	83.3	19%	0.193	41%	0.407	C	S	.	.	H	α-helix	trans	-83.9	-28.3	-169.4	-63.7	-15.2	0	0	0	112.3	R404 P405 T407 E573 I577 T585 R589 T590 H591	R404-W587 HydrophobicContact CB-CE3 4.16Å; R404-W587 HydrophobicContact CB-CH2 3.79Å; R404-W587 HydrophobicContact CB-CZ2 4.46Å; R404-W587 HydrophobicContact CB-CZ3 3.61Å; R404-W587 HydrophobicContact CG-CE3 4.11Å; R404-W587 HydrophobicContact CG-CH2 4.24Å; R404-W587 HydrophobicContact CG-CZ3 3.6Å; P405-W587 HydrophobicContact CG-CH2 4.16Å; T407-W587 HydrophobicContact CG2-CE3 3.89Å; T407-W587 HydrophobicContact CG2-CH2 3.89Å; T407-W587 HydrophobicContact CG2-CZ3 3.28Å; E573-W587 HydrophobicContact CB-CB 4.5Å; I577-W587 HydrophobicContact CG2-CH2 4.11Å; I577-W587 HydrophobicContact CG2-CZ2 4.15Å; T585-W587 HydrophobicContact CG2-CD2 3.99Å; T585-W587 HydrophobicContact CG2-CE3 4.23Å; T585-W587 HydrophobicContact CG2-CH2 3.72Å; T585-W587 HydrophobicContact CG2-CZ2 3.39Å; T585-W587 HydrophobicContact CG2-CZ3 4.12Å; W587-R589 PolarHBondContact O-N 2.97Å; W587-T590 WeakPolarHBondContact CA-OG1 3.11Å; W587-T590 PolarHBondContact O-N 2.98Å; W587-H591 PolarHBondContact O-N 2.92Å
588	D	59.3	Low	61.9	Low	19 Å²	19	83.8 Å²	83.8	10%	0.102	41%	0.408	C	S	.	.	H	α-helix	trans	-42.4	-49.1	164.5	-79.3	-2.6	0	0	0	112.7	Y568 S570 T574	Y568-D588 HydrophobicContact CE1-CB 4.5Å; Y568-D588 WeakPolarHBondContact CE1-OD1 3.4Å; S570-D588 WeakPolarHBondContact CB-OD1 3.48Å; S570-D588 WeakPolarHBondContact CB-OD2 3.42Å; S570-D588 PolarHBondContact N-OD2 3.23Å; T574-D588 HydrophobicContact CG2-CB 4.27Å
589	R	53.2	Low	60.1	Low	200 Å²	200	83.4 Å²	83.4	76%	0.755	41%	0.414	S	S	*	.	H	α-helix	trans	-89.8	-36	-173.1	-66.1	-178.1	177.9	158.3	-7	113.9	D586 W587	D586-R589 WeakPolarHBondContact OD1-CB 3.34Å; D586-R589 WeakPolarHBondContact OD1-CD 3.4Å; D586-R589 WeakPolarHBondContact OD1-CG 3.33Å; D586-R589 WeakPolarHBondContact OD2-CD 3.31Å; D586-R589 IonicContact OD2-NH1 2.71Å; D586-R589 PolarHBondContact OD2-NH1 3.23Å; W587-R589 PolarHBondContact O-N 2.97Å
590	T	49.6	Very low	58.6	Low	95 Å²	95	87.9 Å²	87.9	58%	0.583	42%	0.424	S	S	*	.	H	α-helix	trans	-75.3	-24.8	-173.5	49.7	0	0	0	0	113.6	D586 W587	D586-T590 WeakPolarHBondContact O-CG2 3.41Å; D586-T590 PolarHBondContact O-N 3.38Å; D586-T590 PolarHBondContact O-OG1 2.75Å; W587-T590 WeakPolarHBondContact CA-OG1 3.11Å; W587-T590 PolarHBondContact O-N 2.98Å
591	H	52	Low	57.2	Low	82 Å²	82	87 Å²	87	38%	0.38	42%	0.418	S	S	.	.			trans	-115.5	13.1	-169.9	-81	82.1	0	0	0	116.1	W587 W593 K594 S595	W587-H591 PolarHBondContact O-N 2.92Å; H591-W593 PolarHBondContact O-N 2.85Å; H591-K594 PolarHBondContact O-N 3.01Å; H591-S595 PolarHBondContact O-N 3.43Å; H591-S595 PolarHBondContact O-OG 3.18Å
592	A	47.2	Very low	55.7	Low	39 Å²	39	85.9 Å²	85.9	32%	0.322	41%	0.411	S	S	.	.	H	α-helix	trans	-47.5	-27.9	-176.3	0	0	0	0	0	115.9	S595 R596	A592-S595 PolarHBondContact O-N 3.13Å; A592-R596 WeakPolarHBondContact O-CG 3.44Å; A592-R596 PolarHBondContact O-N 3.22Å
593	W	41.1	Very low	54.2	Low	185 Å²	185	84.3 Å²	84.3	70%	0.701	41%	0.405	S	S	*	.	H	α-helix	trans	-70.5	-37.6	174.3	-174.8	83.9	0	0	0	114.1	H591	H591-W593 PolarHBondContact O-N 2.85Å
594	K	47.9	Very low	52.4	Low	91 Å²	91	84.8 Å²	84.8	40%	0.396	41%	0.411	S	S	.	.	H	α-helix	trans	-69.5	-39	170.4	-69.5	-169.4	-172.8	174.9	0	110	H591 R596 K597 Q598	H591-K594 PolarHBondContact O-N 3.01Å; K594-R596 VanDerWaalsContact C-N 3.27Å; K594-R596 PolarHBondContact O-N 3.28Å; K594-K597 WeakPolarHBondContact O-CB 3.37Å; K594-K597 PolarHBondContact O-N 2.86Å; K594-Q598 PolarHBondContact O-N 2.99Å
595	S	47.4	Very low	51.1	Low	12 Å²	12	81.8 Å²	81.8	8%	0.084	39%	0.386	C	S	.	.	H	α-helix	trans	-62.3	-30.8	177.6	-39	0	0	0	0	113.2	T563 H591 A592 K597 Q598 S599	T563-S595 VanDerWaalsContact CG2-CB 3.45Å; H591-S595 PolarHBondContact O-N 3.43Å; H591-S595 PolarHBondContact O-OG 3.18Å; A592-S595 PolarHBondContact O-N 3.13Å; S595-K597 PolarHBondContact O-N 2.99Å; S595-Q598 WeakPolarHBondContact O-CA 3.08Å; S595-Q598 VanDerWaalsContact O-CB 3.28Å; S595-Q598 WeakPolarHBondContact O-CB 3.49Å; S595-Q598 PolarHBondContact O-N 3.3Å; S595-S599 PolarHBondContact O-N 2.89Å
596	R	45.7	Very low	50	Low	182 Å²	182	90 Å²	90	69%	0.687	42%	0.421	S	S	*	.	H	α-helix	trans	-64.4	-20.9	169.9	-77	176.6	-178.4	-172.4	1.8	114.6	A592 K594 S599	A592-R596 WeakPolarHBondContact O-CG 3.44Å; A592-R596 PolarHBondContact O-N 3.22Å; K594-R596 VanDerWaalsContact C-N 3.27Å; K594-R596 PolarHBondContact O-N 3.28Å; R596-S599 PolarHBondContact O-OG 3.29Å
597	K	49.2	Very low	49.1	Very low	129 Å²	129	87.7 Å²	87.7	56%	0.561	41%	0.409	S	S	*	.	H	α-helix	trans	-77.5	-40.1	167.1	-69.8	-176.8	176.9	-179.3	0	110.8	K594 S595 S599 R600 I601	K594-K597 WeakPolarHBondContact O-CB 3.37Å; K594-K597 PolarHBondContact O-N 2.86Å; S595-K597 PolarHBondContact O-N 2.99Å; K597-S599 PolarHBondContact O-N 2.81Å; K597-R600 WeakPolarHBondContact O-CB 3.2Å; K597-R600 PolarHBondContact O-N 2.82Å; K597-I601 VanDerWaalsContact O-CG1 3.31Å; K597-I601 WeakPolarHBondContact O-CG1 3.39Å; K597-I601 PolarHBondContact O-N 3.11Å
598	Q	48	Very low	48.5	Very low	35 Å²	35	91.6 Å²	91.6	16%	0.164	44%	0.439	C	S	.	.	H	α-helix	trans	-59.2	-40.6	175.1	-100.5	-172.7	-15.9	0	0	113.2	K471 K594 S595 I601 Y602	K471-Q598 VanDerWaalsContact NZ-NE2 3.17Å; K471-Q598 VanDerWaalsContact NZ-OE1 3.14Å; K594-Q598 PolarHBondContact O-N 2.99Å; S595-Q598 WeakPolarHBondContact O-CA 3.08Å; S595-Q598 VanDerWaalsContact O-CB 3.28Å; S595-Q598 WeakPolarHBondContact O-CB 3.49Å; S595-Q598 PolarHBondContact O-N 3.3Å; Q598-I601 PolarHBondContact O-N 2.96Å; Q598-Y602 PolarHBondContact O-N 2.94Å
599	S	44.8	Very low	48	Very low	47 Å²	47	96.2 Å²	96.2	33%	0.329	46%	0.46	S	S	.	.	H	α-helix	trans	-71.1	-32.3	177	60.2	0	0	0	0	113.1	S595 R596 K597 S603	S595-S599 PolarHBondContact O-N 2.89Å; R596-S599 PolarHBondContact O-OG 3.29Å; K597-S599 PolarHBondContact O-N 2.81Å; S599-S603 PolarHBondContact O-N 3.48Å
600	R	47.3	Very low	47.8	Very low	189 Å²	189	87.5 Å²	87.5	71%	0.713	43%	0.43	S	S	*	.	H	α-helix	trans	-64.3	-44.5	170.2	-82.1	-179.6	161	-169.1	-6	112.3	K597 Y602 S603 S604	K597-R600 WeakPolarHBondContact O-CB 3.2Å; K597-R600 PolarHBondContact O-N 2.82Å; R600-Y602 VanDerWaalsContact C-N 3.3Å; R600-Y602 PolarHBondContact O-N 2.65Å; R600-S603 PolarHBondContact O-N 3.19Å; R600-S603 VanDerWaalsContact O-N 3.09Å; R600-S603 PolarHBondContact O-OG 2.66Å; R600-S604 PolarHBondContact O-N 2.98Å; R600-S604 PolarHBondContact O-OG 3.32Å
601	I	49.1	Very low	47.6	Very low	44 Å²	44	87.9 Å²	87.9	23%	0.226	43%	0.428	C	S	.	.	H	α-helix	trans	-54.3	-48.1	176.5	-73.2	167.3	0	0	0	110.2	V475 K597 Q598 S603 S604 A605	V475-I601 HydrophobicContact CB-CG2 4.43Å; V475-I601 HydrophobicContact CG1-CG2 3.5Å; V475-I601 VanDerWaalsContact CG1-CG2 3.5Å; V475-I601 HydrophobicContact CG2-CG2 4.08Å; K597-I601 VanDerWaalsContact O-CG1 3.31Å; K597-I601 WeakPolarHBondContact O-CG1 3.39Å; K597-I601 PolarHBondContact O-N 3.11Å; Q598-I601 PolarHBondContact O-N 2.96Å; I601-S603 PolarHBondContact O-N 2.96Å; I601-S604 WeakPolarHBondContact CA-OG 3.46Å; I601-S604 PolarHBondContact O-N 2.76Å; I601-S604 VanDerWaalsContact O-N 3.17Å; I601-S604 PolarHBondContact O-OG 2.82Å; I601-A605 WeakPolarHBondContact O-CB 3.44Å; I601-A605 PolarHBondContact O-N 2.7Å; I601-A605 VanDerWaalsContact O-N 3.15Å
602	Y	47.1	Very low	47.1	Very low	70 Å²	70	88.7 Å²	88.7	28%	0.275	44%	0.44	S	S	.	.	H	α-helix	trans	-57	-46.1	174.7	176.4	-97.7	0	0	0	112.9	Y558 Y562 Q598 R600 S604 A605	Y558-Y602 WeakPolarHBondContact CD1-OH 3.23Å; Y558-Y602 WeakPolarHBondContact CE1-OH 3.35Å; Y562-Y602 HydrophobicContact CD1-CD1 4.43Å; Y562-Y602 AromaticContact CE1-CD1 3.71Å; Y562-Y602 HydrophobicContact CE1-CD1 3.71Å; Y562-Y602 HydrophobicContact CE1-CD2 4.15Å; Y562-Y602 AromaticContact CE1-CE1 3.71Å; Y562-Y602 HydrophobicContact CE1-CE1 3.71Å; Y562-Y602 HydrophobicContact CE1-CE2 4.14Å; Y562-Y602 AromaticContact CE1-CG 3.95Å; Y562-Y602 HydrophobicContact CE1-CG 3.95Å; Y562-Y602 AromaticContact CE1-CZ 3.95Å; Y562-Y602 AromaticContact CZ-CE1 3.75Å; Y562-Y602 AromaticContact CZ-CZ 3.88Å; Y562-Y602 WeakPolarHBondContact OH-CE1 3.47Å; Y562-Y602 PolarHBondContact OH-OH 2.98Å; Y562-Y602 VanDerWaalsContact OH-OH 3.11Å; Q598-Y602 PolarHBondContact O-N 2.94Å; R600-Y602 VanDerWaalsContact C-N 3.3Å; R600-Y602 PolarHBondContact O-N 2.65Å; Y602-S604 PolarHBondContact O-N 3.33Å; Y602-A605 WeakPolarHBondContact O-CB 3.24Å; Y602-A605 PolarHBondContact O-N 3.34Å
603	S	44	Very low	46.7	Very low	89 Å²	89	90.5 Å²	90.5	62%	0.622	45%	0.449	S	S	*	.	H	α-helix	trans	-64	-22.7	179.3	68.1	0	0	0	0	114.6	S599 R600 I601	S599-S603 PolarHBondContact O-N 3.48Å; R600-S603 PolarHBondContact O-N 3.19Å; R600-S603 VanDerWaalsContact O-N 3.09Å; R600-S603 PolarHBondContact O-OG 2.66Å; I601-S603 PolarHBondContact O-N 2.96Å
604	S	41.6	Very low	46.2	Very low	72 Å²	72	88 Å²	88	50%	0.503	46%	0.457	S	S	.	.	H	α-helix	trans	-91.5	-10.3	173.9	46.3	0	0	0	0	114.4	R600 I601 Y602 K606	R600-S604 PolarHBondContact O-N 2.98Å; R600-S604 PolarHBondContact O-OG 3.32Å; I601-S604 WeakPolarHBondContact CA-OG 3.46Å; I601-S604 PolarHBondContact O-N 2.76Å; I601-S604 VanDerWaalsContact O-N 3.17Å; I601-S604 PolarHBondContact O-OG 2.82Å; Y602-S604 PolarHBondContact O-N 3.33Å; S604-K606 VanDerWaalsContact C-N 3.28Å; S604-K606 PolarHBondContact O-N 3.22Å; S604-K606 VanDerWaalsContact O-N 3.15Å
605	A	48.8	Very low	45.4	Very low	16 Å²	16	89.4 Å²	89.4	13%	0.132	47%	0.473	C	S	.	.			trans	-85.6	29.3	-168.7	0	0	0	0	0	114.8	V475 I601 Y602	V475-A605 HydrophobicContact CG1-CB 3.6Å; I601-A605 WeakPolarHBondContact O-CB 3.44Å; I601-A605 PolarHBondContact O-N 2.7Å; I601-A605 VanDerWaalsContact O-N 3.15Å; Y602-A605 WeakPolarHBondContact O-CB 3.24Å; Y602-A605 PolarHBondContact O-N 3.34Å
606	K	51.9	Low	44.4	Very low	179 Å²	179	93.4 Å²	93.4	78%	0.778	50%	0.501	S	S	*	.			trans	-80.1	125	176	-73	-166.4	173.1	-167.7	0	110.3	S604	S604-K606 VanDerWaalsContact C-N 3.28Å; S604-K606 PolarHBondContact O-N 3.22Å; S604-K606 VanDerWaalsContact O-N 3.15Å
607	N	49.8	Very low	43.6	Very low	16 Å²	16	92 Å²	92	9%	0.086	51%	0.506	C	S	.	.			trans	-85.4	122.6	174.9	-155.2	-11.9	0	0	0	110.8	P478 E479 E553 E609	P478-N607 WeakPolarHBondContact CB-OD1 3.28Å; E479-N607 PolarHBondContact N-ND2 3.32Å; E479-N607 VanDerWaalsContact N-ND2 3.11Å; E479-N607 PolarHBondContact O-ND2 3.18Å; E553-N607 HydrophobicContact CG-CB 3.62Å; E553-N607 VanDerWaalsContact OE2-CB 3.24Å; E553-N607 WeakPolarHBondContact OE2-CB 3.25Å; N607-E609 PolarHBondContact OD1-N 3.31Å
608	T	52.9	Low	42.6	Very low	133 Å²	133	93.3 Å²	93.3	82%	0.816	52%	0.519	S	S	*	.	S	Bend	trans	-93.6	-4.2	177.1	46.3	0	0	0	0	113.7
609	E	48.8	Very low	41.8	Very low	116 Å²	116	95.8 Å²	95.8	54%	0.542	54%	0.537	S	S	.	.			trans	-95.4	-9.3	-178	-63.9	-165.5	169.7	0	0	114.4	P478 N607 L611	P478-E609 HydrophobicContact CB-CB 4.29Å; P478-E609 HydrophobicContact CB-CG 3.89Å; P478-E609 VanDerWaalsContact CG-CD 3.4Å; P478-E609 HydrophobicContact CG-CG 4.03Å; P478-E609 WeakPolarHBondContact CG-OE1 3.42Å; P478-E609 WeakPolarHBondContact CG-OE2 3.39Å; N607-E609 PolarHBondContact OD1-N 3.31Å; E609-L611 PolarHBondContact O-N 3.29Å
610	A	49.1	Very low	41.2	Very low	16 Å²	16	99.1 Å²	99.1	13%	0.132	56%	0.555	C	S	.	*	S	Bend	trans	-63.6	124.5	169.6	0	0	0	0	0	109.4	V489 E553 P612	V489-A610 HydrophobicContact CG1-CB 4.43Å; E553-A610 HydrophobicContact CB-CB 4.16Å; E553-A610 HydrophobicContact CG-CB 3.67Å; A610-P612 VanDerWaalsContact O-CD 3.24Å; A610-P612 WeakPolarHBondContact O-CD 3.17Å; A610-P612 VanDerWaalsContact O-N 3.12Å
611	L	45.9	Very low	40.3	Very low	104 Å²	104	92.9 Å²	92.9	55%	0.545	54%	0.539	S	S	.	.			trans	-60.9	114.5	-178.8	-72	172	0	0	0	109.7	E609	E609-L611 PolarHBondContact O-N 3.29Å
612	P	40.8	Very low	40.1	Very low	98 Å²	98	92.2 Å²	92.2	64%	0.636	54%	0.539	S	S	*	.			trans	-67.4	150.6	175	29.5	-34.1	0	0	0	109.5	A610	A610-P612 VanDerWaalsContact O-CD 3.24Å; A610-P612 WeakPolarHBondContact O-CD 3.17Å; A610-P612 VanDerWaalsContact O-N 3.12Å
613	P	38.8	Very low	40.3	Very low	78 Å²	78	92.6 Å²	92.6	51%	0.506	54%	0.539	S	S	.	.			trans	-57	145.7	169.7	26	-34	0	0	0	109.8	T615	P613-T615 PolarHBondContact O-N 3.07Å
614	P	31.5	Very low	40.1	Very low	132 Å²	132	89.1 Å²	89.1	86%	0.857	51%	0.514	S	S	*	.			trans	-57.6	115.9	-178.1	22.9	-33.1	0	0	0	110.1	S616	P614-S616 PolarHBondContact O-N 3.1Å
615	T	30.4	Very low	39.8	Very low	120 Å²	120	91.7 Å²	91.7	74%	0.736	52%	0.518	S	S	*	.			trans	-64.6	121.2	-179.4	45.4	0	0	0	0	110.3	P613 L617	P613-T615 PolarHBondContact O-N 3.07Å; T615-L617 PolarHBondContact O-N 2.9Å; T615-L617 VanDerWaalsContact O-N 3.11Å
616	S	27.9	Very low	38.9	Very low	96 Å²	96	97 Å²	97	67%	0.671	54%	0.543	S	S	*	.			trans	-59	113.1	161.8	55.1	0	0	0	0	108.7	P614	P614-S616 PolarHBondContact O-N 3.1Å
617	L	28.9	Very low	38.3	Very low	153 Å²	153	92.9 Å²	92.9	80%	0.801	53%	0.531	S	S	*	.	S	Bend	trans	-60.5	160.7	169.9	-78.1	150.3	0	0	0	110.4	T615	T615-L617 PolarHBondContact O-N 2.9Å; T615-L617 VanDerWaalsContact O-N 3.11Å
618	D	28.1	Very low	37.6	Very low	156 Å²	156	96.9 Å²	96.9	83%	0.834	56%	0.555	S	S	*	*			trans	70.4	73.4	-179.2	-54.4	-24.7	0	0	0	116.1
619	T	31	Very low	36.8	Very low	87 Å²	87	94.9 Å²	94.9	53%	0.534	54%	0.54	S	S	.	.			trans	-103.9	115.2	165.6	52.5	0	0	0	0	112.4
620	V	30.6	Very low	36.1	Very low	117 Å²	117	93.6 Å²	93.6	71%	0.709	54%	0.54	S	S	*	.	P	Polyproline II helix	trans	-68.3	133.3	158.7	-178.3	0	0	0	0	108.2
621	P	30.4	Very low	35.3	Very low	59 Å²	59	98.5 Å²	98.5	38%	0.383	57%	0.566	S	S	.	*	P	Polyproline II helix	trans	-64	149.5	178.7	25.9	-35	0	0	0	112.1	E625 L626	P621-E625 HydrophobicContact CB-CB 4.09Å; P621-L626 HydrophobicContact CB-CD2 4.28Å; P621-L626 HydrophobicContact CB-CG 4.15Å; P621-L626 HydrophobicContact CG-CD1 4.4Å; P621-L626 HydrophobicContact CG-CD2 3.44Å; P621-L626 VanDerWaalsContact CG-CD2 3.44Å; P621-L626 HydrophobicContact CG-CG 3.71Å
622	S	43.8	Very low	34.6	Very low	30 Å²	30	98.1 Å²	98.1	21%	0.21	57%	0.567	C	S	.	*	P	Polyproline II helix	trans	-73.7	168.6	176.5	67.7	0	0	0	0	112.4	D624 E625	S622-D624 PolarHBondContact O-N 3.05Å; S622-E625 WeakPolarHBondContact CB-OE2 3.1Å; S622-E625 PolarHBondContact N-OE2 3.07Å; S622-E625 PolarHBondContact O-N 3.27Å; S622-E625 VanDerWaalsContact OG-CG 3.27Å; S622-E625 WeakPolarHBondContact OG-CG 3.48Å; S622-E625 PolarHBondContact OG-OE2 2.8Å
623	R	50.4	Low	34.1	Very low	77 Å²	77	98.1 Å²	98.1	29%	0.291	56%	0.562	S	S	.	*	T	Hydrogen-bonded Turn	trans	-53.8	-25.1	-173.7	-69.3	174	98.9	177.2	-4.8	114.5	D265 D266	D265-R623 IonicContact OD1-CZ 2.69Å; D265-R623 IonicContact OD1-NH2 3.33Å; D265-R623 PolarHBondContact OD1-NH2 2.79Å; D265-R623 IonicContact OD2-CZ 3.96Å; D265-R623 IonicContact OD2-NE 3.84Å; D265-R623 PolarHBondContact OD2-NE 3.19Å; D265-R623 IonicContact OD2-NH2 3.44Å; D265-R623 PolarHBondContact OD2-NH2 2.7Å; D266-R623 IonicContact OD1-CZ 3.84Å; D266-R623 IonicContact OD1-NH1 3.06Å; D266-R623 IonicContact OD1-NH2 2.93Å; D266-R623 PolarHBondContact OD1-NH2 3.07Å
624	D	41.7	Very low	33.8	Very low	16 Å²	16	99.7 Å²	99.7	9%	0.086	57%	0.567	C	S	.	*	T	Hydrogen-bonded Turn	trans	-111.8	5.5	-178.5	-93.5	26.7	0	0	0	113.9	Y199 W203 S622	Y199-D624 HydrophobicContact CD2-CB 3.96Å; Y199-D624 WeakPolarHBondContact CD2-OD2 3.47Å; Y199-D624 HydrophobicContact CE2-CB 4.12Å; Y199-D624 VanDerWaalsContact CE2-OD2 3.24Å; Y199-D624 WeakPolarHBondContact CE2-OD2 3.5Å; W203-D624 PolarHBondContact NE1-OD1 3.09Å; S622-D624 PolarHBondContact O-N 3.05Å
625	E	33.8	Very low	34	Very low	126 Å²	126	97 Å²	97	59%	0.589	54%	0.542	S	S	*	.			trans	-106.5	10.1	177.7	-72.2	174.2	141.3	0	0	113.3	P621 S622	P621-E625 HydrophobicContact CB-CB 4.09Å; S622-E625 WeakPolarHBondContact CB-OE2 3.1Å; S622-E625 PolarHBondContact N-OE2 3.07Å; S622-E625 PolarHBondContact O-N 3.27Å; S622-E625 VanDerWaalsContact OG-CG 3.27Å; S622-E625 WeakPolarHBondContact OG-CG 3.48Å; S622-E625 PolarHBondContact OG-OE2 2.8Å
626	L	30.4	Very low	34.3	Very low	127 Å²	127	94.9 Å²	94.9	67%	0.665	53%	0.525	S	S	*	.			trans	-97.2	0	174.9	-81.3	169.4	0	0	0	113.2	F211 P621	F211-L626 HydrophobicContact CD1-CD1 4.48Å; F211-L626 HydrophobicContact CE1-CD1 4.35Å; P621-L626 HydrophobicContact CB-CD2 4.28Å; P621-L626 HydrophobicContact CB-CG 4.15Å; P621-L626 HydrophobicContact CG-CD1 4.4Å; P621-L626 HydrophobicContact CG-CD2 3.44Å; P621-L626 VanDerWaalsContact CG-CD2 3.44Å; P621-L626 HydrophobicContact CG-CG 3.71Å

Retrieved 626 of 626 residues in 134.3 ms (Link to these results)

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