A0A077YVL3_TRITR Loading...

NADH-ubiquinone oxidoreductase 75 kDa subunit, mitochondrial

AlphaFold DB , UniProt , Accession A0A077YVL3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 737 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.1	Very low	33.6	Very low	234 Å²	234	153.2 Å²	153.2	100%	1.153	83%	0.833	S	S	*	*				0	115.8	0	-82.5	177.4	167.5	0	0	108.8
2	L	33.8	Very low	33.4	Very low	166 Å²	166	145.9 Å²	145.9	87%	0.869	81%	0.809	S	S	*	*			trans	37.4	137.6	148.2	-61.9	152.3	0	0	0	119.7
3	S	32.5	Very low	33.4	Very low	98 Å²	98	146.5 Å²	146.5	69%	0.685	81%	0.807	S	S	*	*			cis	175.7	148.6	-20.8	49.3	0	0	0	0	105
4	A	35.7	Very low	33.1	Very low	91 Å²	91	151.6 Å²	151.6	75%	0.752	81%	0.808	S	S	*	*			trans	68.7	117.1	151.3	0	0	0	0	0	119.8
5	R	37.6	Very low	32.9	Very low	241 Å²	241	146.5 Å²	146.5	91%	0.909	79%	0.789	S	S	*	*				-160.9	102	128.2	-100.3	164.8	-160.2	-152.9	6.3	110
6	V	33.8	Very low	32.8	Very low	134 Å²	134	143.9 Å²	143.9	81%	0.812	77%	0.774	S	S	*	*				78.1	102	113.9	179.9	0	0	0	0	114.5
7	R	31.7	Very low	32.7	Very low	246 Å²	246	139.1 Å²	139.1	93%	0.928	76%	0.758	S	S	*	*			trans	-118.6	126.7	156.6	-82.6	-173.9	177.3	-174.7	-0.7	108.2
8	P	34.5	Very low	32.7	Very low	111 Å²	111	137.1 Å²	137.1	72%	0.721	75%	0.751	S	S	*	*			trans	-86.5	119.9	173.5	29	-22.4	0	0	0	111.4
9	T	30.1	Very low	32.5	Very low	123 Å²	123	137.5 Å²	137.5	76%	0.755	75%	0.747	S	S	*	*			trans	41.2	97.6	135.3	58.5	0	0	0	0	119.7	N11	T9-N11 VanDerWaalsContact C-N 3.27Å; T9-N11 PolarHBondContact O-N 2.75Å
10	A	32.4	Very low	32.3	Very low	98 Å²	98	136.4 Å²	136.4	81%	0.81	74%	0.74	S	S	*	*	S	Bend	trans	-85.4	20.6	163.4	0	0	0	0	0	114
11	N	32.9	Very low	32.2	Very low	143 Å²	143	137.6 Å²	137.6	77%	0.765	74%	0.74	S	S	*	*			trans	-108.2	11.3	-169.2	-85.5	-7.6	0	0	0	115.8	T9	T9-N11 VanDerWaalsContact C-N 3.27Å; T9-N11 PolarHBondContact O-N 2.75Å
12	A	31.2	Very low	31.9	Very low	66 Å²	66	130.4 Å²	130.4	55%	0.545	72%	0.718	S	S	.	*	S	Bend	trans	-101.3	-8.2	179.9	0	0	0	0	0	115.1
13	I	32.8	Very low	31.8	Very low	153 Å²	153	128.3 Å²	128.3	79%	0.785	71%	0.706	S	S	*	*	S	Bend	trans	-97.5	-14.5	-175	-61.8	174.7	0	0	0	112.3
14	R	29.5	Very low	31.7	Very low	219 Å²	219	131.2 Å²	131.2	83%	0.826	71%	0.709	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.1	-10.1	179.1	-89.7	-178.8	173.5	179.9	-2.6	115.5	T18	R14-T18 PolarHBondContact O-OG1 3.13Å
15	S	30.5	Very low	31.5	Very low	75 Å²	75	134.2 Å²	134.2	52%	0.524	71%	0.712	S	S	.	*	T	Hydrogen-bonded Turn	trans	-100	-3.9	179.5	77.4	0	0	0	0	114.8
16	I	31.5	Very low	31.1	Very low	105 Å²	105	132 Å²	132	54%	0.538	71%	0.709	S	S	.	*	T	Hydrogen-bonded Turn	trans	-99.6	-27.2	178.7	-62.9	172.7	0	0	0	111.1	T18 L20	I16-T18 VanDerWaalsContact C-N 3.33Å; I16-T18 PolarHBondContact O-N 2.86Å; I16-L20 HydrophobicContact CG2-CD1 4.19Å
17	A	30.2	Very low	30.9	Very low	61 Å²	61	131.3 Å²	131.3	50%	0.504	71%	0.706	S	S	.	*	H	α-helix	trans	-71.2	-24.4	175.3	0	0	0	0	0	113.7
18	T	32.2	Very low	30.7	Very low	103 Å²	103	123.5 Å²	123.5	63%	0.632	69%	0.694	S	S	*	*	H	α-helix	trans	-86.4	-14.4	178.9	22.7	0	0	0	0	114.2	R14 I16	R14-T18 PolarHBondContact O-OG1 3.13Å; I16-T18 VanDerWaalsContact C-N 3.33Å; I16-T18 PolarHBondContact O-N 2.86Å
19	Q	29.6	Very low	30.4	Very low	146 Å²	146	129 Å²	129	68%	0.682	70%	0.7	S	S	*	*	H	α-helix	trans	-93.5	-19.2	173.5	-78.3	-177.2	-20.8	0	0	113.5
20	L	28.6	Very low	30.7	Very low	115 Å²	115	130.1 Å²	130.1	60%	0.602	70%	0.701	S	S	*	*	H	α-helix	trans	-84.6	-26.4	176.7	-78.3	159	0	0	0	113.3	I16 A22 I23	I16-L20 HydrophobicContact CG2-CD1 4.19Å; L20-A22 VanDerWaalsContact C-N 3.31Å; L20-A22 PolarHBondContact O-N 2.89Å; L20-I23 PolarHBondContact O-N 3.48Å
21	H	30.4	Very low	31	Very low	161 Å²	161	132.9 Å²	132.9	75%	0.745	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.1	-13.5	174.7	-89.8	-36	0	0	0	115.1
22	A	29.5	Very low	31.2	Very low	83 Å²	83	129.6 Å²	129.6	69%	0.686	69%	0.693	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.7	-7.4	176.3	0	0	0	0	0	113.8	L20	L20-A22 VanDerWaalsContact C-N 3.31Å; L20-A22 PolarHBondContact O-N 2.89Å
23	I	30.8	Very low	31.7	Very low	122 Å²	122	128.5 Å²	128.5	63%	0.626	68%	0.68	S	S	*	*	S	Bend	trans	-104.3	-9.3	-172.6	-61.7	176.2	0	0	0	112.6	L20	L20-I23 PolarHBondContact O-N 3.48Å
24	H	31.2	Very low	32.4	Very low	159 Å²	159	126.6 Å²	126.6	74%	0.736	67%	0.671	S	S	*	*	S	Bend	trans	-103.8	2.8	-176.8	-98.6	33.1	0	0	0	116.9
25	N	30.5	Very low	33.5	Very low	155 Å²	155	121.7 Å²	121.7	83%	0.829	67%	0.667	S	S	*	*			trans	-99.8	30.3	178.1	-84.1	-5.7	0	0	0	114.7
26	K	30.4	Very low	35	Very low	194 Å²	194	123 Å²	123	84%	0.843	68%	0.677	S	S	*	*			trans	-95.7	6.9	-177.4	-98.7	-175.3	179.2	178.8	0	116.3
27	T	27.9	Very low	37.3	Very low	120 Å²	120	123.3 Å²	123.3	74%	0.736	68%	0.676	S	S	*	*			trans	-135.5	51.5	-176.9	48.5	0	0	0	0	113.6
28	A	28.5	Very low	40.1	Very low	82 Å²	82	125.1 Å²	125.1	68%	0.678	67%	0.672	S	S	*	*			trans	-129.4	72.6	157.1	0	0	0	0	0	108.1	L30	A28-L30 PolarHBondContact O-N 3.34Å
29	R	28.2	Very low	42.9	Very low	225 Å²	225	121.2 Å²	121.2	85%	0.849	65%	0.649	S	S	*	*			trans	-73.9	78.1	166.5	-79.4	-177.2	177.5	177.8	-1.8	108.1
30	L	36.4	Very low	45.9	Very low	148 Å²	148	116.3 Å²	116.3	78%	0.775	63%	0.626	S	S	*	*			trans	-52	138.7	140.9	-77.3	154.9	0	0	0	106.4	A28 A32	A28-L30 PolarHBondContact O-N 3.34Å; L30-A32 VanDerWaalsContact C-N 3.31Å; L30-A32 PolarHBondContact O-N 2.89Å
31	I	38.9	Very low	49	Very low	155 Å²	155	110.8 Å²	110.8	80%	0.795	60%	0.597	S	S	*	*			trans	-43.7	93.4	-171.9	-60	164	0	0	0	109.7	T33	I31-T33 PolarHBondContact O-N 3.37Å
32	A	35.8	Very low	52.1	Low	75 Å²	75	106.3 Å²	106.3	62%	0.62	57%	0.574	S	S	*	*			trans	-76.9	100.5	172.5	0	0	0	0	0	104.2	L30	L30-A32 VanDerWaalsContact C-N 3.31Å; L30-A32 PolarHBondContact O-N 2.89Å
33	T	42.1	Very low	55.2	Low	42 Å²	42	102.4 Å²	102.4	26%	0.258	54%	0.541	S	S	.	.			trans	-48.4	144.5	164.6	40.2	0	0	0	0	108.8	I31 D51	I31-T33 PolarHBondContact O-N 3.37Å; T33-D51 PolarHBondContact OG1-OD1 3.13Å
34	N	47.7	Very low	58.1	Low	114 Å²	114	98.4 Å²	98.4	61%	0.61	52%	0.521	S	S	*	.			trans	-46.2	135.5	-177.4	-82.2	-31.3	0	0	0	110.2	S36 E37	N34-S36 PolarHBondContact O-N 3.19Å; N34-E37 PolarHBondContact O-N 2.69Å
35	P	52.5	Low	60.9	Low	115 Å²	115	96.9 Å²	96.9	75%	0.747	52%	0.518	S	S	*	.	G	3₁₀ helix	trans	-57.4	-14.9	-173.1	18.9	-30.3	0	0	0	114.2	E37	P35-E37 VanDerWaalsContact C-N 3.28Å; P35-E37 PolarHBondContact O-N 3.03Å
36	S	61.3	Low	63.8	Low	104 Å²	104	93.6 Å²	93.6	73%	0.727	50%	0.499	S	S	*	.	G	3₁₀ helix	trans	-69	-15.2	175.5	51.1	0	0	0	0	115.2	N34	N34-S36 PolarHBondContact O-N 3.19Å
37	E	80.8	Confident	66.7	Low	111 Å²	111	90.3 Å²	90.3	52%	0.519	49%	0.485	S	S	.	.	G	3₁₀ helix	trans	-104.8	3.3	-173	-68.8	179.3	178.3	0	0	114.6	N34 P35 P52	N34-E37 PolarHBondContact O-N 2.69Å; P35-E37 VanDerWaalsContact C-N 3.28Å; P35-E37 PolarHBondContact O-N 3.03Å; E37-P52 WeakPolarHBondContact O-CD 3.01Å; E37-P52 VanDerWaalsContact O-CG 3.3Å; E37-P52 WeakPolarHBondContact O-CG 3.46Å
38	K	88.1	Confident	69.8	Low	98 Å²	98	85.2 Å²	85.2	43%	0.426	45%	0.453	S	S	.	.	P	Polyproline II helix	trans	-67.7	138.4	-178	-65.5	-162.1	171.4	-159.7	0	112.2	L49 D51	K38-L49 HydrophobicContact CB-CB 4.27Å; K38-L49 HydrophobicContact CD-CB 4.06Å; K38-D51 WeakPolarHBondContact CE-OD1 3.46Å
39	V	90.8	Very high	72.9	Confident	22 Å²	22	86 Å²	86	13%	0.133	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	135.2	-179.3	179.4	0	0	0	0	109.8	V41 A50 P52 N105	V39-V41 HydrophobicContact CG1-CG2 4.25Å; V39-A50 PolarHBondContact N-O 3.35Å; V39-A50 PolarHBondContact O-N 2.97Å; V39-P52 HydrophobicContact CG2-CB 4Å; V39-P52 HydrophobicContact CG2-CG 3.83Å; V39-N105 HydrophobicContact CG1-CB 3.89Å
40	E	93.2	Very high	75.8	Confident	42 Å²	42	75.3 Å²	75.3	20%	0.196	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	120.9	176.4	-178.4	173.8	176.1	0	0	110.9	Y42 K47 L49 N105 G106	E40-Y42 HydrophobicContact CG-CE2 4.22Å; E40-Y42 VanDerWaalsContact OE1-CZ 3.23Å; E40-Y42 PolarHBondContact OE1-OH 3.24Å; E40-K47 HydrophobicContact CG-CD 4.19Å; E40-K47 HydrophobicContact CG-CG 3.93Å; E40-K47 WeakPolarHBondContact OE1-CD 3.44Å; E40-K47 WeakPolarHBondContact OE1-CE 3.49Å; E40-K47 IonicContact OE1-NZ 3.33Å; E40-K47 PolarHBondContact OE1-NZ 3.42Å; E40-K47 WeakPolarHBondContact OE2-CE 3.39Å; E40-K47 IonicContact OE2-NZ 3.59Å; E40-K47 PolarHBondContact OE2-NZ 2.88Å; E40-L49 HydrophobicContact CB-CD2 4.42Å; E40-N105 WeakPolarHBondContact CB-OD1 3.35Å; E40-N105 PolarHBondContact N-OD1 3.15Å; E40-N105 PolarHBondContact O-OD1 3.1Å; E40-G106 PolarHBondContact O-N 2.75Å
41	V	93.6	Very high	78.4	Confident	0 Å²	0	69.7 Å²	69.7	0%	0	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	147.3	179.6	-176.3	0	0	0	0	108.5	V39 V43 V48 A50 V103 M107 V109	V39-V41 HydrophobicContact CG1-CG2 4.25Å; V41-V43 HydrophobicContact CG1-CG2 4.48Å; V41-V48 PolarHBondContact N-O 2.92Å; V41-V48 PolarHBondContact O-N 2.86Å; V41-A50 HydrophobicContact CG2-CB 4.42Å; V41-V103 HydrophobicContact CG2-CB 3.67Å; V41-V103 HydrophobicContact CG2-CG1 4.05Å; V41-V103 HydrophobicContact CG2-CG2 4.15Å; V41-M107 HydrophobicContact CG1-CB 4.24Å; V41-M107 HydrophobicContact CG1-CG 4.5Å; V41-M107 WeakPolarHBondContact CG1-O 3.5Å; V41-V109 HydrophobicContact CG1-CG2 4.3Å
42	Y	95.4	Very high	80.8	Confident	67 Å²	67	64.3 Å²	64.3	26%	0.263	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	119.6	175	-60.2	-92.8	0	0	0	109.7	E40 M46 K47 M107 K108 V109	E40-Y42 HydrophobicContact CG-CE2 4.22Å; E40-Y42 VanDerWaalsContact OE1-CZ 3.23Å; E40-Y42 PolarHBondContact OE1-OH 3.24Å; Y42-M46 CarbonylContact C-O 3.5Å; Y42-M46 VanDerWaalsContact CA-O 3.3Å; Y42-M46 WeakPolarHBondContact CA-O 3.49Å; Y42-K47 HydrophobicContact CD1-CB 4.4Å; Y42-K47 HydrophobicContact CE1-CB 4.24Å; Y42-M107 PolarHBondContact N-O 3.35Å; Y42-K108 HydrophobicContact CD2-CD 4.18Å; Y42-K108 HydrophobicContact CD2-CG 3.94Å; Y42-K108 HydrophobicContact CG-CD 4.13Å; Y42-K108 HydrophobicContact CG-CG 4.18Å; Y42-K108 CarbonylContact O-C 3.55Å; Y42-K108 WeakPolarHBondContact O-CA 3.36Å; Y42-V109 PolarHBondContact O-N 3.29Å
43	V	94.2	Very high	83.2	Confident	0 Å²	0	68.6 Å²	68.6	0%	0	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	111.3	174.4	178.7	0	0	0	0	107.8	V41 D45 M46 V48 C60 V63 V65 T111	V41-V43 HydrophobicContact CG1-CG2 4.48Å; V43-D45 VanDerWaalsContact C-N 3.27Å; V43-D45 PolarHBondContact O-N 3.11Å; V43-M46 PolarHBondContact N-O 3.41Å; V43-M46 VanDerWaalsContact O-CB 3.32Å; V43-M46 WeakPolarHBondContact O-CB 3.47Å; V43-M46 PolarHBondContact O-N 3.4Å; V43-V48 HydrophobicContact CB-CG2 4.22Å; V43-V48 HydrophobicContact CG2-CG2 3.9Å; V43-C60 HydrophobicContact CG1-CB 4.34Å; V43-V63 HydrophobicContact CB-CG2 4.32Å; V43-V63 HydrophobicContact CG2-CG2 4.47Å; V43-V65 HydrophobicContact CG1-CB 4.47Å; V43-V65 HydrophobicContact CG1-CG2 4.18Å; V43-T111 HydrophobicContact CG1-CG2 4.43Å
44	N	92.4	Very high	85.6	Confident	38 Å²	38	68.7 Å²	68.7	20%	0.203	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	48.4	49.5	-173.1	-58.5	-29	0	0	0	112.2	M46 V109 T111 N112	N44-M46 HydrophobicContact CB-CE 4.41Å; N44-M46 PolarHBondContact O-N 3.17Å; N44-M46 VanDerWaalsContact O-N 3.08Å; N44-V109 PolarHBondContact N-O 3Å; N44-T111 PolarHBondContact ND2-OG1 3.45Å; N44-T111 PolarHBondContact OD1-N 2.8Å; N44-T111 PolarHBondContact OD1-OG1 3.31Å; N44-N112 PolarHBondContact OD1-OD1 3.16Å
45	D	89.3	Confident	87.8	Confident	127 Å²	127	63.6 Å²	63.6	68%	0.679	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.7	3.5	-177.4	-53.4	-49.7	0	0	0	115.7	V43	V43-D45 VanDerWaalsContact C-N 3.27Å; V43-D45 PolarHBondContact O-N 3.11Å
46	M	91.8	Very high	89.8	Confident	86 Å²	86	58.1 Å²	58.1	42%	0.424	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	127.7	171	-59.5	-180	-76.3	0	0	110.7	Y42 V43 N44 V63 V65	Y42-M46 CarbonylContact C-O 3.5Å; Y42-M46 VanDerWaalsContact CA-O 3.3Å; Y42-M46 WeakPolarHBondContact CA-O 3.49Å; V43-M46 PolarHBondContact N-O 3.41Å; V43-M46 VanDerWaalsContact O-CB 3.32Å; V43-M46 WeakPolarHBondContact O-CB 3.47Å; V43-M46 PolarHBondContact O-N 3.4Å; N44-M46 HydrophobicContact CB-CE 4.41Å; N44-M46 PolarHBondContact O-N 3.17Å; N44-M46 VanDerWaalsContact O-N 3.08Å; M46-V63 HydrophobicContact CB-CG1 4.35Å; M46-V63 HydrophobicContact CE-CG1 3.42Å; M46-V63 VanDerWaalsContact CE-CG1 3.42Å; M46-V63 HydrophobicContact SD-CG1 3.74Å; M46-V65 HydrophobicContact CE-CG2 4.49Å
47	K	92.6	Very high	91.5	Very high	126 Å²	126	53.6 Å²	53.6	55%	0.548	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	131.2	177.8	-179.4	176.2	174	145.3	0	111.2	E40 Y42	E40-K47 HydrophobicContact CG-CD 4.19Å; E40-K47 HydrophobicContact CG-CG 3.93Å; E40-K47 WeakPolarHBondContact OE1-CD 3.44Å; E40-K47 WeakPolarHBondContact OE1-CE 3.49Å; E40-K47 IonicContact OE1-NZ 3.33Å; E40-K47 PolarHBondContact OE1-NZ 3.42Å; E40-K47 WeakPolarHBondContact OE2-CE 3.39Å; E40-K47 IonicContact OE2-NZ 3.59Å; E40-K47 PolarHBondContact OE2-NZ 2.88Å; Y42-K47 HydrophobicContact CD1-CB 4.4Å; Y42-K47 HydrophobicContact CE1-CB 4.24Å
48	V	92.1	Very high	92.1	Very high	12 Å²	12	51.7 Å²	51.7	7%	0.073	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	134.7	179.7	-165.4	0	0	0	0	109.1	V41 V43 L62 V63	V41-V48 PolarHBondContact N-O 2.92Å; V41-V48 PolarHBondContact O-N 2.86Å; V43-V48 HydrophobicContact CB-CG2 4.22Å; V43-V48 HydrophobicContact CG2-CG2 3.9Å; V48-L62 HydrophobicContact CG1-CB 4.21Å; V48-L62 HydrophobicContact CG1-CD1 4.29Å; V48-V63 HydrophobicContact CB-CG2 4.22Å; V48-V63 HydrophobicContact CG1-CG2 4.04Å; V48-V63 HydrophobicContact CG2-CG2 3.13Å
49	L	93.1	Very high	92.4	Very high	98 Å²	98	47 Å²	47	51%	0.513	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	102.8	170.7	-64.5	176.2	0	0	0	108.4	K38 E40	K38-L49 HydrophobicContact CB-CB 4.27Å; K38-L49 HydrophobicContact CD-CB 4.06Å; E40-L49 HydrophobicContact CB-CD2 4.42Å
50	A	90.2	Very high	92.6	Very high	1 Å²	1	46 Å²	46	1%	0.008	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	155.2	-178.5	0	0	0	0	0	110.8	V39 V41 M54 A59 V103	V39-A50 PolarHBondContact N-O 3.35Å; V39-A50 PolarHBondContact O-N 2.97Å; V41-A50 HydrophobicContact CG2-CB 4.42Å; A50-M54 HydrophobicContact CB-SD 4.19Å; A50-A59 HydrophobicContact CB-CB 4.14Å; A50-V103 HydrophobicContact CB-CG2 4.07Å
51	D	91.3	Very high	92.6	Very high	31 Å²	31	46.7 Å²	46.7	17%	0.166	24%	0.239	C	C	.	.			trans	-75.9	145.1	174.9	-57.8	-40.9	0	0	0	109.8	T33 K38 H53 M54	T33-D51 PolarHBondContact OG1-OD1 3.13Å; K38-D51 WeakPolarHBondContact CE-OD1 3.46Å; D51-H53 PolarHBondContact O-N 3.33Å; D51-M54 HydrophobicContact CB-CE 4.22Å; D51-M54 HydrophobicContact CB-CG 4.1Å; D51-M54 HydrophobicContact CB-SD 4.16Å; D51-M54 WeakPolarHBondContact O-CB 3.3Å; D51-M54 PolarHBondContact O-N 3.22Å; D51-M54 VanDerWaalsContact OD2-CE 3.24Å; D51-M54 WeakPolarHBondContact OD2-CE 3.48Å
52	P	87.6	Confident	92.6	Very high	41 Å²	41	51.7 Å²	51.7	27%	0.266	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-28.2	-171.9	-24.6	28	0	0	0	115.7	E37 V39	E37-P52 WeakPolarHBondContact O-CD 3.01Å; E37-P52 VanDerWaalsContact O-CG 3.3Å; E37-P52 WeakPolarHBondContact O-CG 3.46Å; V39-P52 HydrophobicContact CG2-CB 4Å; V39-P52 HydrophobicContact CG2-CG 3.83Å
53	H	86.7	Confident	92.4	Very high	165 Å²	165	50.8 Å²	50.8	76%	0.764	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.4	-4.8	-177.5	-55.5	-59.4	0	0	0	113.7	D51	D51-H53 PolarHBondContact O-N 3.33Å
54	M	92	Very high	92.3	Very high	44 Å²	44	53.8 Å²	53.8	22%	0.217	30%	0.297	C	S	.	.			trans	-67	144.8	178.2	-74.4	-179	170	0	0	111	A50 D51 Q58 L62 P102 V103	A50-M54 HydrophobicContact CB-SD 4.19Å; D51-M54 HydrophobicContact CB-CE 4.22Å; D51-M54 HydrophobicContact CB-CG 4.1Å; D51-M54 HydrophobicContact CB-SD 4.16Å; D51-M54 WeakPolarHBondContact O-CB 3.3Å; D51-M54 PolarHBondContact O-N 3.22Å; D51-M54 VanDerWaalsContact OD2-CE 3.24Å; D51-M54 WeakPolarHBondContact OD2-CE 3.48Å; M54-Q58 HydrophobicContact CB-CB 4.35Å; M54-L62 HydrophobicContact SD-CD1 3.94Å; M54-P102 WeakPolarHBondContact O-CA 3.45Å; M54-V103 HydrophobicContact CB-CG2 4.43Å; M54-V103 WeakPolarHBondContact O-CG2 3.22Å; M54-V103 PolarHBondContact O-N 3.13Å
55	T	95	Very high	92.3	Very high	7 Å²	7	53.3 Å²	53.3	4%	0.043	30%	0.296	C	S	.	.	B	Isolated β-bridge	trans	-77.2	158.5	171.7	63.8	0	0	0	0	110.4	L57 Q58 A59 I78 C99 M101	T55-L57 PolarHBondContact O-N 3.44Å; T55-Q58 PolarHBondContact O-N 3.16Å; T55-Q58 VanDerWaalsContact O-N 3.12Å; T55-Q58 WeakPolarHBondContact OG1-CG 3.45Å; T55-Q58 PolarHBondContact OG1-N 3.27Å; T55-Q58 PolarHBondContact OG1-OE1 3.46Å; T55-A59 PolarHBondContact O-N 3.15Å; T55-I78 HydrophobicContact CG2-CD1 3.73Å; T55-C99 WeakPolarHBondContact CG2-O 3.46Å; T55-M101 CarbonylContact C-O 3.46Å; T55-M101 WeakPolarHBondContact CA-O 3.41Å
56	V	95.4	Very high	92.5	Very high	1 Å²	1	55.6 Å²	55.6	1%	0.006	30%	0.303	C	S	.	.	H	α-helix	trans	-55.3	-36.1	171.9	172.7	0	0	0	0	111.3	A59 C60 V87 S98 M101 V103 M107 V109	V56-A59 PolarHBondContact O-N 3.21Å; V56-C60 WeakPolarHBondContact O-CB 3.25Å; V56-C60 PolarHBondContact O-N 3.14Å; V56-C60 PolarHBondContact O-SG 2.83Å; V56-V87 HydrophobicContact CG1-CG2 4.11Å; V56-S98 PolarHBondContact N-O 2.73Å; V56-M101 HydrophobicContact CG2-CB 4.08Å; V56-M101 HydrophobicContact CG2-CG 4.14Å; V56-M101 WeakPolarHBondContact CG2-O 3.27Å; V56-M101 PolarHBondContact N-O 3.27Å; V56-V103 HydrophobicContact CG2-CG1 4.18Å; V56-M107 HydrophobicContact CG2-CE 3.24Å; V56-M107 HydrophobicContact CG2-SD 3.83Å; V56-V109 HydrophobicContact CG1-CB 4.33Å; V56-V109 HydrophobicContact CG1-CG1 3.64Å; V56-V109 HydrophobicContact CG1-CG2 3.79Å; V56-V109 HydrophobicContact CG2-CG2 4.44Å
57	L	95.2	Very high	92.7	Very high	8 Å²	8	52 Å²	52	4%	0.042	29%	0.285	C	S	.	.	H	α-helix	trans	-61.4	-47	177.1	-172.1	157	0	0	0	111.8	T55 C60 A61 Y72 C85 S98 C99	T55-L57 PolarHBondContact O-N 3.44Å; L57-C60 PolarHBondContact O-N 3.41Å; L57-A61 PolarHBondContact O-N 3.07Å; L57-Y72 HydrophobicContact CD1-CD1 3.92Å; L57-Y72 HydrophobicContact CD1-CD2 4.45Å; L57-Y72 HydrophobicContact CD1-CE1 4.24Å; L57-Y72 HydrophobicContact CD1-CG 3.99Å; L57-Y72 HydrophobicContact CD2-CD1 4.11Å; L57-Y72 HydrophobicContact CD2-CE1 3.62Å; L57-C85 HydrophobicContact CD1-CB 4.46Å; L57-S98 PolarHBondContact N-O 3.48Å; L57-C99 HydrophobicContact CD1-CB 3.89Å
58	Q	94.1	Very high	92.8	Very high	71 Å²	71	46.2 Å²	46.2	33%	0.332	26%	0.26	S	S	.	.	H	α-helix	trans	-65.9	-41.6	176.8	-71.6	163.9	-24.7	0	0	111.6	M54 T55 C60 A61 L62 Y72	M54-Q58 HydrophobicContact CB-CB 4.35Å; T55-Q58 PolarHBondContact O-N 3.16Å; T55-Q58 VanDerWaalsContact O-N 3.12Å; T55-Q58 WeakPolarHBondContact OG1-CG 3.45Å; T55-Q58 PolarHBondContact OG1-N 3.27Å; T55-Q58 PolarHBondContact OG1-OE1 3.46Å; Q58-C60 VanDerWaalsContact C-N 3.32Å; Q58-C60 PolarHBondContact O-N 2.86Å; Q58-A61 WeakPolarHBondContact O-CB 3.43Å; Q58-A61 PolarHBondContact O-N 2.83Å; Q58-A61 VanDerWaalsContact O-N 3.14Å; Q58-L62 PolarHBondContact O-N 2.88Å; Q58-L62 VanDerWaalsContact O-N 3.1Å; Q58-Y72 PolarHBondContact NE2-OH 3.46Å
59	A	94.2	Very high	93	Very high	1 Å²	1	49.3 Å²	49.3	1%	0.008	27%	0.271	C	S	.	.	H	α-helix	trans	-62.8	-37.2	176.6	0	0	0	0	0	112.6	A50 T55 V56 L62 V103	A50-A59 HydrophobicContact CB-CB 4.14Å; T55-A59 PolarHBondContact O-N 3.15Å; V56-A59 PolarHBondContact O-N 3.21Å; A59-L62 PolarHBondContact O-N 3.22Å; A59-V103 HydrophobicContact CB-CG1 3.74Å
60	C	95.1	Very high	93.2	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-67.1	-39	172.4	-70.3	0	0	0	0	112.4	V43 V56 L57 Q58 L62 V63 G64 V65 I67	V43-C60 HydrophobicContact CG1-CB 4.34Å; V56-C60 WeakPolarHBondContact O-CB 3.25Å; V56-C60 PolarHBondContact O-N 3.14Å; V56-C60 PolarHBondContact O-SG 2.83Å; L57-C60 PolarHBondContact O-N 3.41Å; Q58-C60 VanDerWaalsContact C-N 3.32Å; Q58-C60 PolarHBondContact O-N 2.86Å; C60-L62 VanDerWaalsContact C-N 3.28Å; C60-L62 PolarHBondContact O-N 3.41Å; C60-V63 PolarHBondContact O-N 3.05Å; C60-V63 VanDerWaalsContact O-N 3.1Å; C60-G64 PolarHBondContact O-N 3.43Å; C60-V65 CarbonylContact C-O 2.93Å; C60-V65 HydrophobicContact CB-CB 4.18Å; C60-V65 HydrophobicContact CB-CG1 4.43Å; C60-V65 PolarHBondContact O-N 3.11Å; C60-I67 HydrophobicContact CB-CD1 3.81Å; C60-I67 HydrophobicContact CB-CG1 4.21Å
61	A	93.9	Very high	93.5	Very high	57 Å²	57	44.7 Å²	44.7	47%	0.471	25%	0.246	S	C	.	.	H	α-helix	trans	-62.3	-33.2	177.1	0	0	0	0	0	112.6	L57 Q58 V63 G64	L57-A61 PolarHBondContact O-N 3.07Å; Q58-A61 WeakPolarHBondContact O-CB 3.43Å; Q58-A61 PolarHBondContact O-N 2.83Å; Q58-A61 VanDerWaalsContact O-N 3.14Å; A61-V63 PolarHBondContact O-N 3.13Å; A61-G64 PolarHBondContact O-N 2.77Å
62	L	92.3	Very high	93.7	Very high	104 Å²	104	43.6 Å²	43.6	55%	0.545	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-25	174.5	-68.3	176.7	0	0	0	113.6	V48 M54 Q58 A59 C60	V48-L62 HydrophobicContact CG1-CB 4.21Å; V48-L62 HydrophobicContact CG1-CD1 4.29Å; M54-L62 HydrophobicContact SD-CD1 3.94Å; Q58-L62 PolarHBondContact O-N 2.88Å; Q58-L62 VanDerWaalsContact O-N 3.1Å; A59-L62 PolarHBondContact O-N 3.22Å; C60-L62 VanDerWaalsContact C-N 3.28Å; C60-L62 PolarHBondContact O-N 3.41Å
63	V	92.3	Very high	94.1	Very high	48 Å²	48	43 Å²	43	29%	0.291	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.4	5.6	177.1	-160.6	0	0	0	0	111.8	V43 M46 V48 C60 A61 V65	V43-V63 HydrophobicContact CB-CG2 4.32Å; V43-V63 HydrophobicContact CG2-CG2 4.47Å; M46-V63 HydrophobicContact CB-CG1 4.35Å; M46-V63 HydrophobicContact CE-CG1 3.42Å; M46-V63 VanDerWaalsContact CE-CG1 3.42Å; M46-V63 HydrophobicContact SD-CG1 3.74Å; V48-V63 HydrophobicContact CB-CG2 4.22Å; V48-V63 HydrophobicContact CG1-CG2 4.04Å; V48-V63 HydrophobicContact CG2-CG2 3.13Å; C60-V63 PolarHBondContact O-N 3.05Å; C60-V63 VanDerWaalsContact O-N 3.1Å; A61-V63 PolarHBondContact O-N 3.13Å; V63-V65 VanDerWaalsContact C-N 3.28Å; V63-V65 HydrophobicContact CB-CG2 4.46Å; V63-V65 PolarHBondContact O-N 3.15Å
64	G	92.2	Very high	94.3	Very high	63 Å²	63	40.2 Å²	40.2	65%	0.649	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	73	17.8	-174.1	0	0	0	0	0	113.9	C60 A61	C60-G64 PolarHBondContact O-N 3.43Å; A61-G64 PolarHBondContact O-N 2.77Å
65	V	93.1	Very high	94.4	Very high	28 Å²	28	39.8 Å²	39.8	17%	0.17	22%	0.218	C	C	.	.			trans	-92.2	103.4	174.2	-179.7	0	0	0	0	109.5	V43 M46 C60 V63 T111	V43-V65 HydrophobicContact CG1-CB 4.47Å; V43-V65 HydrophobicContact CG1-CG2 4.18Å; M46-V65 HydrophobicContact CE-CG2 4.49Å; C60-V65 CarbonylContact C-O 2.93Å; C60-V65 HydrophobicContact CB-CB 4.18Å; C60-V65 HydrophobicContact CB-CG1 4.43Å; C60-V65 PolarHBondContact O-N 3.11Å; V63-V65 VanDerWaalsContact C-N 3.28Å; V63-V65 HydrophobicContact CB-CG2 4.46Å; V63-V65 PolarHBondContact O-N 3.15Å; V65-T111 HydrophobicContact CG1-CG2 3.99Å; V65-T111 WeakPolarHBondContact CG1-OG1 3.43Å
66	E	92.8	Very high	94.3	Very high	175 Å²	175	39.8 Å²	39.8	82%	0.818	22%	0.218	S	C	*	.	P	Polyproline II helix	trans	-81.5	120.5	176.7	-65.5	-176.4	178.6	0	0	111.4
67	I	95.4	Very high	94.3	Very high	11 Å²	11	41.8 Å²	41.8	6%	0.056	23%	0.231	C	C	.	.	P	Polyproline II helix	trans	-95.3	132.8	176	-63.1	178.5	0	0	0	109.2	C60 R69 C85 V87 T111	C60-I67 HydrophobicContact CB-CD1 3.81Å; C60-I67 HydrophobicContact CB-CG1 4.21Å; I67-R69 PolarHBondContact O-N 2.98Å; I67-C85 HydrophobicContact CG2-CB 3.75Å; I67-V87 HydrophobicContact CD1-CG1 3.8Å; I67-T111 HydrophobicContact CD1-CG2 4.25Å; I67-T111 HydrophobicContact CG1-CG2 4.45Å
68	P	95.9	Very high	94.3	Very high	5 Å²	5	45.3 Å²	45.3	3%	0.032	25%	0.25	C	C	.	.	P	Polyproline II helix	trans	-63.3	138	179.5	26.8	-35.5	0	0	0	112	M84 C85 R120 Q149 F153	P68-M84 HydrophobicContact CB-CE 3.81Å; P68-M84 HydrophobicContact CB-CG 3.8Å; P68-M84 HydrophobicContact CG-CE 4.06Å; P68-M84 HydrophobicContact CG-CG 4.14Å; P68-M84 CarbonylContact O-C 3.59Å; P68-C85 WeakPolarHBondContact O-CA 3.1Å; P68-C85 PolarHBondContact O-N 3.02Å; P68-R120 HydrophobicContact CG-CG 4.22Å; P68-Q149 HydrophobicContact CB-CG 4.29Å; P68-F153 HydrophobicContact CB-CD2 3.69Å; P68-F153 HydrophobicContact CB-CE2 3.72Å; P68-F153 HydrophobicContact CB-CG 4.39Å; P68-F153 HydrophobicContact CB-CZ 4.43Å; P68-F153 HydrophobicContact CG-CD1 4.41Å; P68-F153 HydrophobicContact CG-CD2 3.89Å; P68-F153 HydrophobicContact CG-CE1 4.47Å; P68-F153 HydrophobicContact CG-CE2 3.97Å; P68-F153 HydrophobicContact CG-CG 4.12Å; P68-F153 HydrophobicContact CG-CZ 4.26Å
69	R	95.5	Very high	94.2	Very high	77 Å²	77	43.6 Å²	43.6	29%	0.291	25%	0.248	S	C	.	.			trans	-145.8	136.5	-170.1	67.7	-159.5	-164	170.8	-1.9	111.5	I67 E74 Q149 R192	I67-R69 PolarHBondContact O-N 2.98Å; R69-E74 IonicContact CZ-OE1 2.93Å; R69-E74 VanDerWaalsContact CZ-OE1 3.3Å; R69-E74 IonicContact NH1-OE1 2.73Å; R69-E74 PolarHBondContact NH1-OE1 3.23Å; R69-E74 IonicContact NH2-OE1 3.85Å; R69-E74 PolarHBondContact NH2-OE1 3.25Å; R69-Q149 PolarHBondContact O-NE2 2.86Å; R69-R192 PolarHBondContact O-NH2 3.41Å
70	Y	96.3	Very high	94	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	26%	0.255	C	S	.	.	S	Bend	trans	-122.9	-34.1	172.3	-66.5	-61.4	0	0	0	114.8	M84 L127 D145 L146 Q149 I188 R192 P238	Y70-M84 HydrophobicContact CD2-CB 3.57Å; Y70-M84 HydrophobicContact CD2-CG 3.74Å; Y70-M84 HydrophobicContact CE2-CB 3.91Å; Y70-M84 HydrophobicContact CE2-CE 4.26Å; Y70-M84 HydrophobicContact CE2-CG 3.57Å; Y70-M84 HydrophobicContact CE2-SD 3.91Å; Y70-L127 HydrophobicContact CD2-CD1 3.49Å; Y70-L127 VanDerWaalsContact CD2-CD1 3.49Å; Y70-L127 HydrophobicContact CE2-CD1 3.26Å; Y70-L127 HydrophobicContact CG-CD1 4.49Å; Y70-D145 HydrophobicContact CD1-CB 4.26Å; Y70-D145 HydrophobicContact CE1-CB 4.1Å; Y70-L146 HydrophobicContact CE1-CB 4.12Å; Y70-L146 HydrophobicContact CE1-CD1 4.16Å; Y70-L146 HydrophobicContact CE2-CD1 4.47Å; Y70-L146 WeakPolarHBondContact OH-CD1 3.49Å; Y70-Q149 HydrophobicContact CE1-CB 4.39Å; Y70-Q149 VanDerWaalsContact OH-CB 3.31Å; Y70-Q149 WeakPolarHBondContact OH-CB 3.27Å; Y70-I188 HydrophobicContact CD1-CD1 3.96Å; Y70-I188 HydrophobicContact CD2-CD1 4.46Å; Y70-I188 HydrophobicContact CG-CD1 3.83Å; Y70-R192 VanDerWaalsContact C-NH2 3.27Å; Y70-R192 VanDerWaalsContact CA-NH2 3.33Å; Y70-R192 PolarHBondContact O-NE 3.32Å; Y70-R192 PolarHBondContact O-NH2 2.75Å; Y70-P238 HydrophobicContact CD1-CB 4.01Å
71	C	96.5	Very high	93.8	Very high	1 Å²	1	48.6 Å²	48.6	1%	0.007	28%	0.278	C	S	.	.	S	Bend	trans	-96.7	-33.4	176.3	70.3	0	0	0	0	111.6	H73 C82 C190 R192 R195	C71-H73 PolarHBondContact O-N 3.19Å; C71-C82 HydrophobicContact CB-CB 4.08Å; C71-C82 PolarHBondContact N-SG 3.1Å; C71-C82 PolarHBondContact SG-SG 3.28Å; C71-C190 HydrophobicContact CB-CB 4.11Å; C71-C190 VanDerWaalsContact CB-O 3.25Å; C71-C190 WeakPolarHBondContact CB-O 3.14Å; C71-R192 WeakPolarHBondContact O-CG 3.39Å; C71-R195 PolarHBondContact O-NH1 3.27Å; C71-R195 PolarHBondContact O-NH2 3.34Å
72	Y	96.7	Very high	93.8	Very high	9 Å²	9	46.6 Å²	46.6	4%	0.035	26%	0.26	C	S	.	.			trans	-64.8	137.9	178.5	178.6	-89.2	0	0	0	110.6	L57 Q58 E74 I78 C99 R192	L57-Y72 HydrophobicContact CD1-CD1 3.92Å; L57-Y72 HydrophobicContact CD1-CD2 4.45Å; L57-Y72 HydrophobicContact CD1-CE1 4.24Å; L57-Y72 HydrophobicContact CD1-CG 3.99Å; L57-Y72 HydrophobicContact CD2-CD1 4.11Å; L57-Y72 HydrophobicContact CD2-CE1 3.62Å; Q58-Y72 PolarHBondContact NE2-OH 3.46Å; Y72-E74 HydrophobicContact CE1-CG 3.64Å; Y72-I78 HydrophobicContact CD2-CG1 4.47Å; Y72-I78 HydrophobicContact CE2-CG1 4.37Å; Y72-C99 HydrophobicContact CD2-CB 3.67Å; Y72-C99 HydrophobicContact CE2-CB 4.49Å; Y72-C99 HydrophobicContact CG-CB 4.02Å; Y72-R192 PolarHBondContact O-NE 2.67Å
73	H	95	Very high	94	Very high	27 Å²	27	46.8 Å²	46.8	13%	0.125	25%	0.254	C	S	.	.			trans	-145.3	138.1	173	-169.6	-85.4	0	0	0	106.4	C71 K75 L76 L236 E295 W296	C71-H73 PolarHBondContact O-N 3.19Å; H73-K75 VanDerWaalsContact C-N 3.27Å; H73-K75 PolarHBondContact ND1-N 3.09Å; H73-K75 PolarHBondContact O-N 3.42Å; H73-L76 HydrophobicContact CB-CB 4.14Å; H73-L76 HydrophobicContact CB-CD1 3.95Å; H73-L76 HydrophobicContact CB-CG 4.11Å; H73-L76 PolarHBondContact O-N 2.83Å; H73-L236 WeakPolarHBondContact CD2-CD2 3.29Å; H73-L236 VanDerWaalsContact NE2-CD2 3.28Å; H73-L236 WeakPolarHBondContact NE2-CD2 3.45Å; H73-E295 IonicContact CE1-OE2 3.51Å; H73-E295 PolarHBondContact CE1-OE2 2.76Å; H73-E295 IonicContact NE2-OE2 3.16Å; H73-E295 PolarHBondContact NE2-OE2 3.49Å; H73-W296 AromaticContact CE1-CH2 3.57Å
74	E	92	Very high	94.2	Very high	107 Å²	107	44.5 Å²	44.5	50%	0.5	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-28.3	-169.2	-68.8	170.7	-156.2	0	0	112.8	R69 Y72	R69-E74 IonicContact CZ-OE1 2.93Å; R69-E74 VanDerWaalsContact CZ-OE1 3.3Å; R69-E74 IonicContact NH1-OE1 2.73Å; R69-E74 PolarHBondContact NH1-OE1 3.23Å; R69-E74 IonicContact NH2-OE1 3.85Å; R69-E74 PolarHBondContact NH2-OE1 3.25Å; Y72-E74 HydrophobicContact CE1-CG 3.64Å
75	K	92.6	Very high	94.4	Very high	35 Å²	35	41.7 Å²	41.7	15%	0.152	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.5	2.9	-179.6	-54.6	-58.1	-176.4	169.1	0	115.2	H73 E290 E294 W296	H73-K75 VanDerWaalsContact C-N 3.27Å; H73-K75 PolarHBondContact ND1-N 3.09Å; H73-K75 PolarHBondContact O-N 3.42Å; K75-E290 WeakPolarHBondContact CE-OE1 3.49Å; K75-E290 IonicContact NZ-OE1 2.65Å; K75-E290 PolarHBondContact NZ-OE1 3.16Å; K75-E290 IonicContact NZ-OE2 2.75Å; K75-E290 PolarHBondContact NZ-OE2 2.9Å; K75-E294 IonicContact NZ-OE1 2.89Å; K75-E294 PolarHBondContact NZ-OE1 2.87Å; K75-W296 HydrophobicContact CB-CZ2 3.71Å; K75-W296 HydrophobicContact CG-CZ2 4.34Å
76	L	94.4	Very high	94.6	Very high	8 Å²	8	41.2 Å²	41.2	4%	0.042	21%	0.206	C	C	.	.	S	Bend	trans	-120.6	159.1	179.4	-61.4	176.7	0	0	0	110.5	H73 R192 R195 F196 I200 L236	H73-L76 HydrophobicContact CB-CB 4.14Å; H73-L76 HydrophobicContact CB-CD1 3.95Å; H73-L76 HydrophobicContact CB-CG 4.11Å; H73-L76 PolarHBondContact O-N 2.83Å; L76-R192 HydrophobicContact CD1-CB 4.45Å; L76-R195 HydrophobicContact CD1-CB 4.4Å; L76-F196 HydrophobicContact CD1-CB 4.23Å; L76-F196 HydrophobicContact CD2-CB 4.03Å; L76-F196 HydrophobicContact CD2-CD2 4.28Å; L76-I200 HydrophobicContact CD2-CD1 3.62Å; L76-I200 HydrophobicContact CD2-CG1 4.05Å; L76-L236 HydrophobicContact CD1-CD2 4.14Å
77	S	94.3	Very high	94.7	Very high	42 Å²	42	32.9 Å²	32.9	29%	0.294	17%	0.167	S	C	.	.			trans	-57.2	152.8	175.6	70.2	0	0	0	0	113.1	A79 R195 E199	S77-A79 PolarHBondContact O-N 3.31Å; S77-R195 PolarHBondContact O-NH1 3.45Å; S77-R195 WeakPolarHBondContact OG-CD 3.32Å; S77-E199 WeakPolarHBondContact CB-OE1 3.43Å; S77-E199 PolarHBondContact N-OE2 2.96Å; S77-E199 PolarHBondContact OG-OE1 2.94Å
78	I	94.8	Very high	94.8	Very high	83 Å²	83	34.2 Å²	34.2	43%	0.426	17%	0.174	S	C	.	.			trans	-77.3	118.9	180	-63.2	163.1	0	0	0	110	T55 Y72 C99 A100	T55-I78 HydrophobicContact CG2-CD1 3.73Å; Y72-I78 HydrophobicContact CD2-CG1 4.47Å; Y72-I78 HydrophobicContact CE2-CG1 4.37Å; I78-C99 WeakPolarHBondContact CD1-O 3.19Å; I78-C99 VanDerWaalsContact CG2-O 3.27Å; I78-C99 WeakPolarHBondContact CG2-O 3.44Å; I78-A100 HydrophobicContact CG2-CB 3.69Å
79	A	92	Very high	94.8	Very high	35 Å²	35	34.3 Å²	34.3	29%	0.289	17%	0.174	S	C	.	.			trans	-96.5	-48.8	179.9	0	0	0	0	0	115	S77	S77-A79 PolarHBondContact O-N 3.31Å
80	G	91.1	Very high	94.6	Very high	15 Å²	15	34.1 Å²	34.1	16%	0.155	18%	0.176	C	C	.	.			trans	78.3	11.2	-176.7	0	0	0	0	0	116.6	R83	G80-R83 VanDerWaalsContact O-CD 3.31Å; G80-R83 WeakPolarHBondContact O-CD 3.26Å
81	N	91.4	Very high	94.2	Very high	90 Å²	90	43.8 Å²	43.8	48%	0.481	22%	0.218	S	C	.	.			trans	-71.8	-33.1	-172.7	-68.1	-11	0	0	0	115.4	T191	N81-T191 PolarHBondContact ND2-OG1 3.49Å
82	C	93.9	Very high	93.9	Very high	16 Å²	16	45.7 Å²	45.7	11%	0.108	23%	0.231	C	C	.	.	S	Bend	trans	-89.5	-22.9	-171.3	72.4	0	0	0	0	115.4	C71 M84 V123	C71-C82 HydrophobicContact CB-CB 4.08Å; C71-C82 PolarHBondContact N-SG 3.1Å; C71-C82 PolarHBondContact SG-SG 3.28Å; C82-M84 PolarHBondContact O-N 3Å; C82-V123 VanDerWaalsContact O-CG1 3.25Å; C82-V123 WeakPolarHBondContact O-CG1 3.47Å
83	R	95.5	Very high	93.7	Very high	108 Å²	108	53.5 Å²	53.5	41%	0.408	27%	0.272	S	S	.	.			trans	54.6	16	-175.9	-47.9	-60.2	-67.8	-171.6	-2.7	116.6	G80 C85 L86 V123	G80-R83 VanDerWaalsContact O-CD 3.31Å; G80-R83 WeakPolarHBondContact O-CD 3.26Å; R83-C85 VanDerWaalsContact C-N 3.26Å; R83-C85 PolarHBondContact O-N 3.4Å; R83-L86 HydrophobicContact CB-CD1 4.11Å; R83-L86 HydrophobicContact CB-CG 4.31Å; R83-L86 WeakPolarHBondContact O-CD1 3.18Å; R83-L86 WeakPolarHBondContact O-CG 3.31Å; R83-V123 HydrophobicContact CB-CG2 4.18Å
84	M	96.4	Very high	93.7	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-28.8	177	-173	59	173.5	0	0	113.4	P68 Y70 C82 L86 R120 V123 T124 Q149 F153	P68-M84 HydrophobicContact CB-CE 3.81Å; P68-M84 HydrophobicContact CB-CG 3.8Å; P68-M84 HydrophobicContact CG-CE 4.06Å; P68-M84 HydrophobicContact CG-CG 4.14Å; P68-M84 CarbonylContact O-C 3.59Å; Y70-M84 HydrophobicContact CD2-CB 3.57Å; Y70-M84 HydrophobicContact CD2-CG 3.74Å; Y70-M84 HydrophobicContact CE2-CB 3.91Å; Y70-M84 HydrophobicContact CE2-CE 4.26Å; Y70-M84 HydrophobicContact CE2-CG 3.57Å; Y70-M84 HydrophobicContact CE2-SD 3.91Å; C82-M84 PolarHBondContact O-N 3Å; M84-L86 PolarHBondContact O-N 3.12Å; M84-R120 HydrophobicContact CE-CB 4.34Å; M84-R120 HydrophobicContact SD-CB 4.38Å; M84-V123 HydrophobicContact CB-CG1 4.19Å; M84-V123 HydrophobicContact SD-CB 4.29Å; M84-V123 HydrophobicContact SD-CG1 4.04Å; M84-T124 WeakPolarHBondContact CE-OG1 3.42Å; M84-Q149 HydrophobicContact CE-CB 4.25Å; M84-F153 HydrophobicContact CE-CB 3.94Å; M84-F153 HydrophobicContact CE-CD2 4.49Å
85	C	96.3	Very high	93.8	Very high	3 Å²	3	55.8 Å²	55.8	2%	0.02	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81	21.5	-176.3	72.7	0	0	0	0	114.3	L57 I67 P68 R83 V87 S98 C99	L57-C85 HydrophobicContact CD1-CB 4.46Å; I67-C85 HydrophobicContact CG2-CB 3.75Å; P68-C85 WeakPolarHBondContact O-CA 3.1Å; P68-C85 PolarHBondContact O-N 3.02Å; R83-C85 VanDerWaalsContact C-N 3.26Å; R83-C85 PolarHBondContact O-N 3.4Å; C85-V87 PolarHBondContact O-N 2.7Å; C85-S98 VanDerWaalsContact CB-OG 3.25Å; C85-S98 WeakPolarHBondContact CB-OG 3.35Å; C85-S98 WeakPolarHBondContact O-CB 3.25Å; C85-S98 PolarHBondContact O-N 2.92Å; C85-S98 PolarHBondContact O-OG 3.13Å; C85-C99 PolarHBondContact SG-SG 3.21Å
86	L	97	Very high	93.9	Very high	18 Å²	18	54.7 Å²	54.7	9%	0.094	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	127.9	-177.9	-78.4	171.7	0	0	0	111.2	R83 M84 P95 V96 A119 V123	R83-L86 HydrophobicContact CB-CD1 4.11Å; R83-L86 HydrophobicContact CB-CG 4.31Å; R83-L86 WeakPolarHBondContact O-CD1 3.18Å; R83-L86 WeakPolarHBondContact O-CG 3.31Å; M84-L86 PolarHBondContact O-N 3.12Å; L86-P95 HydrophobicContact CB-CB 4.15Å; L86-P95 HydrophobicContact CD1-CG 4.31Å; L86-P95 HydrophobicContact CD2-CB 4.07Å; L86-P95 HydrophobicContact CD2-CG 4.18Å; L86-P95 WeakPolarHBondContact CD2-O 3.24Å; L86-V96 VanDerWaalsContact CA-O 3.29Å; L86-V96 WeakPolarHBondContact CA-O 3.24Å; L86-A119 HydrophobicContact CB-CB 3.87Å; L86-A119 HydrophobicContact CD1-CB 3.94Å; L86-V123 HydrophobicContact CD1-CG2 4.26Å
87	V	96.5	Very high	94	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	155.8	177.6	-64.4	0	0	0	0	111	V56 I67 C85 P95 V96 V109 T111	V56-V87 HydrophobicContact CG1-CG2 4.11Å; I67-V87 HydrophobicContact CD1-CG1 3.8Å; C85-V87 PolarHBondContact O-N 2.7Å; V87-P95 CarbonylContact O-C 3.39Å; V87-P95 WeakPolarHBondContact O-CA 3.28Å; V87-V96 HydrophobicContact CG2-CG2 3.82Å; V87-V96 PolarHBondContact N-O 3.48Å; V87-V96 PolarHBondContact O-N 3.44Å; V87-V109 HydrophobicContact CB-CG1 4.19Å; V87-V109 HydrophobicContact CG2-CG1 3.94Å; V87-T111 HydrophobicContact CG1-CG2 4.2Å
88	E	96.7	Very high	94.1	Very high	40 Å²	40	52.6 Å²	52.6	19%	0.187	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	129.8	173.1	-177.1	-174.2	144.1	0	0	109.3	K110 S113 M115	E88-K110 HydrophobicContact CB-CB 4.31Å; E88-K110 PolarHBondContact N-O 2.99Å; E88-K110 PolarHBondContact O-N 2.86Å; E88-K110 IonicContact OE1-NZ 3.35Å; E88-S113 WeakPolarHBondContact CB-OG 3.38Å; E88-S113 WeakPolarHBondContact OE2-CB 3.47Å; E88-S113 PolarHBondContact OE2-OG 3.14Å; E88-M115 HydrophobicContact CG-SD 4.14Å; E88-M115 WeakPolarHBondContact OE2-CB 3.49Å
89	I	95	Very high	94.1	Very high	6 Å²	6	48.8 Å²	48.8	3%	0.031	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	136.3	166.2	-61.2	160.8	0	0	0	107.3	K91 S92 V96 M101 W104 M107 K108	I89-K91 PolarHBondContact O-N 3.11Å; I89-S92 WeakPolarHBondContact O-CB 3.38Å; I89-S92 PolarHBondContact O-N 3.26Å; I89-V96 HydrophobicContact CD1-CB 4.01Å; I89-V96 HydrophobicContact CD1-CG1 3.8Å; I89-V96 HydrophobicContact CD1-CG2 3.16Å; I89-V96 HydrophobicContact CG1-CG2 3.65Å; I89-M101 HydrophobicContact CD1-CG 4.33Å; I89-W104 HydrophobicContact CD1-CH2 3.97Å; I89-W104 HydrophobicContact CG2-CH2 4.4Å; I89-W104 HydrophobicContact CG2-CZ2 4.22Å; I89-M107 HydrophobicContact CD1-CE 3.11Å; I89-M107 HydrophobicContact CG1-CE 3.59Å; I89-M107 HydrophobicContact CG2-CE 4.22Å; I89-M107 HydrophobicContact CG2-CG 4.09Å; I89-K108 WeakPolarHBondContact CA-O 3.31Å
90	E	91.6	Very high	94.2	Very high	74 Å²	74	49.5 Å²	49.5	35%	0.346	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.8	131.8	173.2	-164	-175	160.5	0	0	110.4	S92 K108	E90-S92 VanDerWaalsContact C-N 3.3Å; E90-S92 PolarHBondContact O-N 3.02Å; E90-K108 HydrophobicContact CB-CB 3.94Å; E90-K108 PolarHBondContact N-O 3.06Å; E90-K108 IonicContact OE1-NZ 3.88Å; E90-K108 WeakPolarHBondContact OE2-CB 3.47Å; E90-K108 WeakPolarHBondContact OE2-CD 3.33Å; E90-K108 WeakPolarHBondContact OE2-CE 3.49Å; E90-K108 VanDerWaalsContact OE2-CG 3.26Å; E90-K108 WeakPolarHBondContact OE2-CG 3.3Å; E90-K108 IonicContact OE2-NZ 3.35Å; E90-K108 PolarHBondContact OE2-NZ 3.48Å
91	K	88.4	Confident	94.4	Very high	203 Å²	203	51.8 Å²	51.8	88%	0.883	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.4	4.9	-174.5	-47	175.7	-179.6	176.3	0	116.1	I89	I89-K91 PolarHBondContact O-N 3.11Å
92	S	90.6	Very high	94.5	Very high	40 Å²	40	50.7 Å²	50.7	28%	0.28	26%	0.258	S	S	.	.			trans	-91.4	131.4	168.4	-175.2	0	0	0	0	111.3	I89 E90 K94	I89-S92 WeakPolarHBondContact O-CB 3.38Å; I89-S92 PolarHBondContact O-N 3.26Å; E90-S92 VanDerWaalsContact C-N 3.3Å; E90-S92 PolarHBondContact O-N 3.02Å; S92-K94 VanDerWaalsContact C-N 3.33Å; S92-K94 PolarHBondContact OG-O 3.36Å
93	I	92.4	Very high	94.5	Very high	174 Å²	174	50.3 Å²	50.3	89%	0.892	26%	0.255	S	S	*	.	S	Bend	trans	-71	-30.9	178.3	-60.1	168	0	0	0	111.6	M115	I93-M115 WeakPolarHBondContact O-CE 3.39Å
94	K	94.5	Very high	94.4	Very high	149 Å²	149	51 Å²	51	65%	0.648	26%	0.258	S	S	*	.	S	Bend	trans	-121.4	153.9	-175.2	68	-177.4	178.6	-175.1	0	110.8	S92	S92-K94 VanDerWaalsContact C-N 3.33Å; S92-K94 PolarHBondContact OG-O 3.36Å
95	P	94.5	Very high	94.2	Very high	32 Å²	32	56.5 Å²	56.5	21%	0.208	29%	0.287	C	S	.	.			trans	-71.1	141.5	175.7	30.9	-28.7	0	0	0	108.7	L86 V87 M115 A119	L86-P95 HydrophobicContact CB-CB 4.15Å; L86-P95 HydrophobicContact CD1-CG 4.31Å; L86-P95 HydrophobicContact CD2-CB 4.07Å; L86-P95 HydrophobicContact CD2-CG 4.18Å; L86-P95 WeakPolarHBondContact CD2-O 3.24Å; V87-P95 CarbonylContact O-C 3.39Å; V87-P95 WeakPolarHBondContact O-CA 3.28Å; P95-M115 HydrophobicContact CB-CE 4.19Å; P95-M115 HydrophobicContact CG-CE 4.15Å; P95-A119 HydrophobicContact CB-CB 4.46Å; P95-A119 HydrophobicContact CG-CB 4.27Å
96	V	94.9	Very high	94	Very high	12 Å²	12	58.2 Å²	58.2	7%	0.073	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	152	-176.3	-61	0	0	0	0	111.2	L86 V87 I89 S98 M101	L86-V96 VanDerWaalsContact CA-O 3.29Å; L86-V96 WeakPolarHBondContact CA-O 3.24Å; V87-V96 HydrophobicContact CG2-CG2 3.82Å; V87-V96 PolarHBondContact N-O 3.48Å; V87-V96 PolarHBondContact O-N 3.44Å; I89-V96 HydrophobicContact CD1-CB 4.01Å; I89-V96 HydrophobicContact CD1-CG1 3.8Å; I89-V96 HydrophobicContact CD1-CG2 3.16Å; I89-V96 HydrophobicContact CG1-CG2 3.65Å; V96-S98 PolarHBondContact O-N 2.92Å; V96-M101 HydrophobicContact CB-CE 4.25Å; V96-M101 HydrophobicContact CG1-CE 4.13Å
97	A	96.3	Very high	93.8	Very high	7 Å²	7	57.4 Å²	57.4	6%	0.058	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	108.3	172	0	0	0	0	0	109.5	C99 A100 M101	A97-C99 PolarHBondContact O-N 3.38Å; A97-A100 PolarHBondContact O-N 2.92Å; A97-M101 WeakPolarHBondContact O-CB 3.27Å; A97-M101 PolarHBondContact O-N 3.36Å; A97-M101 VanDerWaalsContact O-N 3.13Å
98	S	95.7	Very high	93.8	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-26.2	-178.7	55.3	0	0	0	0	113.6	V56 L57 C85 V96 A100	V56-S98 PolarHBondContact N-O 2.73Å; L57-S98 PolarHBondContact N-O 3.48Å; C85-S98 VanDerWaalsContact CB-OG 3.25Å; C85-S98 WeakPolarHBondContact CB-OG 3.35Å; C85-S98 WeakPolarHBondContact O-CB 3.25Å; C85-S98 PolarHBondContact O-N 2.92Å; C85-S98 PolarHBondContact O-OG 3.13Å; V96-S98 PolarHBondContact O-N 2.92Å; S98-A100 VanDerWaalsContact C-N 3.28Å; S98-A100 PolarHBondContact O-N 2.93Å
99	C	95.5	Very high	93.8	Very high	2 Å²	2	58.9 Å²	58.9	1%	0.014	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-18	-179.5	68.3	0	0	0	0	114.7	T55 L57 Y72 I78 C85 A97	T55-C99 WeakPolarHBondContact CG2-O 3.46Å; L57-C99 HydrophobicContact CD1-CB 3.89Å; Y72-C99 HydrophobicContact CD2-CB 3.67Å; Y72-C99 HydrophobicContact CE2-CB 4.49Å; Y72-C99 HydrophobicContact CG-CB 4.02Å; I78-C99 WeakPolarHBondContact CD1-O 3.19Å; I78-C99 VanDerWaalsContact CG2-O 3.27Å; I78-C99 WeakPolarHBondContact CG2-O 3.44Å; C85-C99 PolarHBondContact SG-SG 3.21Å; A97-C99 PolarHBondContact O-N 3.38Å
100	A	94.9	Very high	93.8	Very high	51 Å²	51	62 Å²	62	42%	0.421	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.3	-20.8	-176.6	0	0	0	0	0	113.1	I78 A97 S98 P102	I78-A100 HydrophobicContact CG2-CB 3.69Å; A97-A100 PolarHBondContact O-N 2.92Å; S98-A100 VanDerWaalsContact C-N 3.28Å; S98-A100 PolarHBondContact O-N 2.93Å; A100-P102 VanDerWaalsContact O-CD 3.28Å; A100-P102 WeakPolarHBondContact O-CD 3.23Å
101	M	94.4	Very high	93.9	Very high	62 Å²	62	59 Å²	59	31%	0.305	31%	0.307	S	S	.	.	P	Polyproline II helix	trans	-75.3	117.5	179.5	-171.7	59.4	67	0	0	109.7	T55 V56 I89 V96 A97 W104 M107	T55-M101 CarbonylContact C-O 3.46Å; T55-M101 WeakPolarHBondContact CA-O 3.41Å; V56-M101 HydrophobicContact CG2-CB 4.08Å; V56-M101 HydrophobicContact CG2-CG 4.14Å; V56-M101 WeakPolarHBondContact CG2-O 3.27Å; V56-M101 PolarHBondContact N-O 3.27Å; I89-M101 HydrophobicContact CD1-CG 4.33Å; V96-M101 HydrophobicContact CB-CE 4.25Å; V96-M101 HydrophobicContact CG1-CE 4.13Å; A97-M101 WeakPolarHBondContact O-CB 3.27Å; A97-M101 PolarHBondContact O-N 3.36Å; A97-M101 VanDerWaalsContact O-N 3.13Å; M101-W104 HydrophobicContact CG-CZ3 3.97Å; M101-W104 HydrophobicContact SD-CZ3 3.85Å; M101-M107 HydrophobicContact CG-CE 4.04Å
102	P	94.5	Very high	94.2	Very high	67 Å²	67	55.3 Å²	55.3	44%	0.435	30%	0.297	S	S	.	.	B	Isolated β-bridge	trans	-70	154.7	171.4	30.6	-34.8	0	0	0	110.6	M54 A100	M54-P102 WeakPolarHBondContact O-CA 3.45Å; A100-P102 VanDerWaalsContact O-CD 3.28Å; A100-P102 WeakPolarHBondContact O-CD 3.23Å
103	V	93.8	Very high	94.4	Very high	8 Å²	8	54.1 Å²	54.1	5%	0.048	29%	0.289	C	S	.	.	P	Polyproline II helix	trans	-81.2	149.1	176.7	-63.3	0	0	0	0	112.4	V41 A50 M54 V56 A59 M107	V41-V103 HydrophobicContact CG2-CB 3.67Å; V41-V103 HydrophobicContact CG2-CG1 4.05Å; V41-V103 HydrophobicContact CG2-CG2 4.15Å; A50-V103 HydrophobicContact CB-CG2 4.07Å; M54-V103 HydrophobicContact CB-CG2 4.43Å; M54-V103 WeakPolarHBondContact O-CG2 3.22Å; M54-V103 PolarHBondContact O-N 3.13Å; V56-V103 HydrophobicContact CG2-CG1 4.18Å; A59-V103 HydrophobicContact CB-CG1 3.74Å; V103-M107 HydrophobicContact CB-SD 4.33Å; V103-M107 HydrophobicContact CG1-SD 4.32Å
104	W	92	Very high	94.5	Very high	123 Å²	123	51.6 Å²	51.6	47%	0.466	28%	0.276	S	S	.	.			trans	-136.9	164.7	171.4	66.3	87.2	0	0	0	111.3	I89 M101 G106 M107	I89-W104 HydrophobicContact CD1-CH2 3.97Å; I89-W104 HydrophobicContact CG2-CH2 4.4Å; I89-W104 HydrophobicContact CG2-CZ2 4.22Å; M101-W104 HydrophobicContact CG-CZ3 3.97Å; M101-W104 HydrophobicContact SD-CZ3 3.85Å; W104-G106 PolarHBondContact O-N 3.46Å; W104-M107 HydrophobicContact CD2-CB 4.12Å; W104-M107 HydrophobicContact CD2-CG 4.26Å; W104-M107 HydrophobicContact CD2-SD 4.1Å; W104-M107 HydrophobicContact CE3-CE 4.01Å; W104-M107 HydrophobicContact CE3-CG 4.49Å; W104-M107 HydrophobicContact CE3-SD 3.82Å; W104-M107 HydrophobicContact CG-CB 4.28Å; W104-M107 HydrophobicContact CH2-CE 3.54Å; W104-M107 HydrophobicContact CH2-CG 4.31Å; W104-M107 HydrophobicContact CH2-SD 4.18Å; W104-M107 HydrophobicContact CZ2-CB 4.42Å; W104-M107 HydrophobicContact CZ2-CE 4.17Å; W104-M107 HydrophobicContact CZ2-CG 4.01Å; W104-M107 HydrophobicContact CZ2-SD 4.4Å; W104-M107 HydrophobicContact CZ3-CE 3.42Å; W104-M107 VanDerWaalsContact CZ3-CE 3.42Å; W104-M107 HydrophobicContact CZ3-SD 3.87Å; W104-M107 WeakPolarHBondContact O-CB 3.33Å; W104-M107 PolarHBondContact O-N 3.24Å
105	N	92.8	Very high	94.5	Very high	115 Å²	115	47.6 Å²	47.6	62%	0.615	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	130.3	-171.2	-163.8	13.9	0	0	0	111.5	V39 E40 M107	V39-N105 HydrophobicContact CG1-CB 3.89Å; E40-N105 WeakPolarHBondContact CB-OD1 3.35Å; E40-N105 PolarHBondContact N-OD1 3.15Å; E40-N105 PolarHBondContact O-OD1 3.1Å; N105-M107 VanDerWaalsContact C-N 3.3Å
106	G	91.4	Very high	94.5	Very high	39 Å²	39	46 Å²	46	40%	0.402	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.6	8.3	-178.3	0	0	0	0	0	114.8	E40 W104 K108	E40-G106 PolarHBondContact O-N 2.75Å; W104-G106 PolarHBondContact O-N 3.46Å; G106-K108 PolarHBondContact O-N 3.39Å
107	M	94.1	Very high	94.6	Very high	2 Å²	2	51.1 Å²	51.1	1%	0.01	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	126.9	176.5	-178.5	-176.1	-160.5	0	0	110.8	V41 Y42 V56 I89 M101 V103 W104 N105 V109	V41-M107 HydrophobicContact CG1-CB 4.24Å; V41-M107 HydrophobicContact CG1-CG 4.5Å; V41-M107 WeakPolarHBondContact CG1-O 3.5Å; Y42-M107 PolarHBondContact N-O 3.35Å; V56-M107 HydrophobicContact CG2-CE 3.24Å; V56-M107 HydrophobicContact CG2-SD 3.83Å; I89-M107 HydrophobicContact CD1-CE 3.11Å; I89-M107 HydrophobicContact CG1-CE 3.59Å; I89-M107 HydrophobicContact CG2-CE 4.22Å; I89-M107 HydrophobicContact CG2-CG 4.09Å; M101-M107 HydrophobicContact CG-CE 4.04Å; V103-M107 HydrophobicContact CB-SD 4.33Å; V103-M107 HydrophobicContact CG1-SD 4.32Å; W104-M107 HydrophobicContact CD2-CB 4.12Å; W104-M107 HydrophobicContact CD2-CG 4.26Å; W104-M107 HydrophobicContact CD2-SD 4.1Å; W104-M107 HydrophobicContact CE3-CE 4.01Å; W104-M107 HydrophobicContact CE3-CG 4.49Å; W104-M107 HydrophobicContact CE3-SD 3.82Å; W104-M107 HydrophobicContact CG-CB 4.28Å; W104-M107 HydrophobicContact CH2-CE 3.54Å; W104-M107 HydrophobicContact CH2-CG 4.31Å; W104-M107 HydrophobicContact CH2-SD 4.18Å; W104-M107 HydrophobicContact CZ2-CB 4.42Å; W104-M107 HydrophobicContact CZ2-CE 4.17Å; W104-M107 HydrophobicContact CZ2-CG 4.01Å; W104-M107 HydrophobicContact CZ2-SD 4.4Å; W104-M107 HydrophobicContact CZ3-CE 3.42Å; W104-M107 VanDerWaalsContact CZ3-CE 3.42Å; W104-M107 HydrophobicContact CZ3-SD 3.87Å; W104-M107 WeakPolarHBondContact O-CB 3.33Å; W104-M107 PolarHBondContact O-N 3.24Å; N105-M107 VanDerWaalsContact C-N 3.3Å; M107-V109 HydrophobicContact CE-CG2 4.15Å; M107-V109 HydrophobicContact CG-CG2 4.03Å; M107-V109 HydrophobicContact SD-CG2 4.18Å
108	K	95.6	Very high	94.6	Very high	68 Å²	68	56.9 Å²	56.9	30%	0.296	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	114	174.3	-49.2	-145	-155.6	111.4	0	111.4	Y42 I89 E90 G106	Y42-K108 HydrophobicContact CD2-CD 4.18Å; Y42-K108 HydrophobicContact CD2-CG 3.94Å; Y42-K108 HydrophobicContact CG-CD 4.13Å; Y42-K108 HydrophobicContact CG-CG 4.18Å; Y42-K108 CarbonylContact O-C 3.55Å; Y42-K108 WeakPolarHBondContact O-CA 3.36Å; I89-K108 WeakPolarHBondContact CA-O 3.31Å; E90-K108 HydrophobicContact CB-CB 3.94Å; E90-K108 PolarHBondContact N-O 3.06Å; E90-K108 IonicContact OE1-NZ 3.88Å; E90-K108 WeakPolarHBondContact OE2-CB 3.47Å; E90-K108 WeakPolarHBondContact OE2-CD 3.33Å; E90-K108 WeakPolarHBondContact OE2-CE 3.49Å; E90-K108 VanDerWaalsContact OE2-CG 3.26Å; E90-K108 WeakPolarHBondContact OE2-CG 3.3Å; E90-K108 IonicContact OE2-NZ 3.35Å; E90-K108 PolarHBondContact OE2-NZ 3.48Å; G106-K108 PolarHBondContact O-N 3.39Å
109	V	96.1	Very high	94.6	Very high	2 Å²	2	57.9 Å²	57.9	1%	0.012	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	123.4	-177.5	-174.2	0	0	0	0	109	V41 Y42 N44 V56 V87 M107 T111	V41-V109 HydrophobicContact CG1-CG2 4.3Å; Y42-V109 PolarHBondContact O-N 3.29Å; N44-V109 PolarHBondContact N-O 3Å; V56-V109 HydrophobicContact CG1-CB 4.33Å; V56-V109 HydrophobicContact CG1-CG1 3.64Å; V56-V109 HydrophobicContact CG1-CG2 3.79Å; V56-V109 HydrophobicContact CG2-CG2 4.44Å; V87-V109 HydrophobicContact CB-CG1 4.19Å; V87-V109 HydrophobicContact CG2-CG1 3.94Å; M107-V109 HydrophobicContact CE-CG2 4.15Å; M107-V109 HydrophobicContact CG-CG2 4.03Å; M107-V109 HydrophobicContact SD-CG2 4.18Å; V109-T111 HydrophobicContact CG1-CG2 4.08Å
110	K	95.6	Very high	94.7	Very high	73 Å²	73	58.7 Å²	58.7	32%	0.317	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	109.1	174.6	-61.6	179.2	-176.6	174.3	0	109.2	E88	E88-K110 HydrophobicContact CB-CB 4.31Å; E88-K110 PolarHBondContact N-O 2.99Å; E88-K110 PolarHBondContact O-N 2.86Å; E88-K110 IonicContact OE1-NZ 3.35Å
111	T	95	Very high	94.8	Very high	10 Å²	10	58.9 Å²	58.9	6%	0.061	30%	0.299	C	S	.	.	S	Bend	trans	-92.8	-15.6	-176.1	66.3	0	0	0	0	113.4	V43 N44 V65 I67 V87 V109 R120	V43-T111 HydrophobicContact CG1-CG2 4.43Å; N44-T111 PolarHBondContact ND2-OG1 3.45Å; N44-T111 PolarHBondContact OD1-N 2.8Å; N44-T111 PolarHBondContact OD1-OG1 3.31Å; V65-T111 HydrophobicContact CG1-CG2 3.99Å; V65-T111 WeakPolarHBondContact CG1-OG1 3.43Å; I67-T111 HydrophobicContact CD1-CG2 4.25Å; I67-T111 HydrophobicContact CG1-CG2 4.45Å; V87-T111 HydrophobicContact CG1-CG2 4.2Å; V109-T111 HydrophobicContact CG1-CG2 4.08Å; T111-R120 PolarHBondContact O-NH1 3.18Å; T111-R120 PolarHBondContact O-NH2 3.4Å; T111-R120 VanDerWaalsContact O-NH2 3.09Å
112	N	93.3	Very high	94.8	Very high	125 Å²	125	57 Å²	57	67%	0.668	29%	0.294	S	S	*	.	S	Bend	trans	-112.8	10.8	-176.8	65.8	-12.7	0	0	0	113.6	N44	N44-N112 PolarHBondContact OD1-OD1 3.16Å
113	S	94.4	Very high	95	Very high	16 Å²	16	54.6 Å²	54.6	11%	0.112	28%	0.279	C	S	.	.	S	Bend	trans	-68.9	157.4	179	77.7	0	0	0	0	112.1	E88 M115 A116 K117	E88-S113 WeakPolarHBondContact CB-OG 3.38Å; E88-S113 WeakPolarHBondContact OE2-CB 3.47Å; E88-S113 PolarHBondContact OE2-OG 3.14Å; S113-M115 PolarHBondContact O-N 3.05Å; S113-A116 PolarHBondContact O-N 2.96Å; S113-A116 PolarHBondContact OG-N 3.06Å; S113-K117 PolarHBondContact O-N 2.95Å
114	L	94.9	Very high	95.1	Very high	121 Å²	121	54.3 Å²	54.3	63%	0.634	28%	0.277	S	S	*	.	H	α-helix	trans	-58.2	-35.2	176.3	-175.7	65.4	0	0	0	111.8	K118	L114-K118 HydrophobicContact CD1-CG 4.49Å; L114-K118 HydrophobicContact CG-CD 4.37Å; L114-K118 WeakPolarHBondContact O-CB 3.48Å; L114-K118 WeakPolarHBondContact O-CG 3.33Å; L114-K118 PolarHBondContact O-N 2.8Å
115	M	94.8	Very high	95.3	Very high	64 Å²	64	50 Å²	50	32%	0.315	26%	0.262	S	S	.	.	H	α-helix	trans	-66.5	-46.3	177.6	-174.7	174.9	179	0	0	111.8	E88 I93 P95 S113 A119	E88-M115 HydrophobicContact CG-SD 4.14Å; E88-M115 WeakPolarHBondContact OE2-CB 3.49Å; I93-M115 WeakPolarHBondContact O-CE 3.39Å; P95-M115 HydrophobicContact CB-CE 4.19Å; P95-M115 HydrophobicContact CG-CE 4.15Å; S113-M115 PolarHBondContact O-N 3.05Å; M115-A119 WeakPolarHBondContact O-CB 3.41Å; M115-A119 PolarHBondContact O-N 3.05Å
116	A	95.3	Very high	95.4	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-63.7	-41.2	176.4	0	0	0	0	0	111.7	S113 A119 R120	S113-A116 PolarHBondContact O-N 2.96Å; S113-A116 PolarHBondContact OG-N 3.06Å; A116-A119 PolarHBondContact O-N 3.17Å; A116-R120 WeakPolarHBondContact O-CG 3.28Å; A116-R120 PolarHBondContact O-N 3.48Å; A116-R120 VanDerWaalsContact O-N 3.09Å
117	K	95.8	Very high	95.5	Very high	118 Å²	118	51.6 Å²	51.6	51%	0.513	25%	0.254	S	S	.	.	H	α-helix	trans	-62.4	-51.3	177	-168.3	-176.9	-179.6	-169.2	0	112	S113 A119 R120 E121	S113-K117 PolarHBondContact O-N 2.95Å; K117-A119 VanDerWaalsContact C-N 3.27Å; K117-A119 PolarHBondContact O-N 2.86Å; K117-R120 PolarHBondContact O-N 3.33Å; K117-R120 VanDerWaalsContact O-N 3.14Å; K117-E121 WeakPolarHBondContact CE-OE1 3.38Å; K117-E121 IonicContact NZ-OE1 2.68Å; K117-E121 WeakPolarHBondContact O-CG 3.35Å; K117-E121 PolarHBondContact O-N 2.76Å
118	K	96.3	Very high	95.6	Very high	129 Å²	129	54.3 Å²	54.3	56%	0.561	27%	0.268	S	S	*	.	H	α-helix	trans	-60	-36.7	177.1	-76	-175.8	176.5	-174.9	0	112.7	L114 G122	L114-K118 HydrophobicContact CD1-CG 4.49Å; L114-K118 HydrophobicContact CG-CD 4.37Å; L114-K118 WeakPolarHBondContact O-CB 3.48Å; L114-K118 WeakPolarHBondContact O-CG 3.33Å; L114-K118 PolarHBondContact O-N 2.8Å; K118-G122 PolarHBondContact O-N 3.13Å
119	A	96.3	Very high	95.5	Very high	20 Å²	20	51.7 Å²	51.7	17%	0.165	26%	0.259	C	S	.	.	H	α-helix	trans	-64	-42.2	176.4	0	0	0	0	0	111.9	L86 P95 M115 A116 K117 V123	L86-A119 HydrophobicContact CB-CB 3.87Å; L86-A119 HydrophobicContact CD1-CB 3.94Å; P95-A119 HydrophobicContact CB-CB 4.46Å; P95-A119 HydrophobicContact CG-CB 4.27Å; M115-A119 WeakPolarHBondContact O-CB 3.41Å; M115-A119 PolarHBondContact O-N 3.05Å; A116-A119 PolarHBondContact O-N 3.17Å; K117-A119 VanDerWaalsContact C-N 3.27Å; K117-A119 PolarHBondContact O-N 2.86Å; A119-V123 VanDerWaalsContact O-CG2 3.31Å; A119-V123 WeakPolarHBondContact O-CG2 3.33Å; A119-V123 PolarHBondContact O-N 3.38Å
120	R	96.4	Very high	95.3	Very high	19 Å²	19	54.3 Å²	54.3	7%	0.072	27%	0.273	C	S	.	.	H	α-helix	trans	-65.6	-47.2	175.4	-69.6	168	-174.4	158.5	8.5	111.8	P68 M84 T111 A116 K117 G122 V123 T124 F153	P68-R120 HydrophobicContact CG-CG 4.22Å; M84-R120 HydrophobicContact CE-CB 4.34Å; M84-R120 HydrophobicContact SD-CB 4.38Å; T111-R120 PolarHBondContact O-NH1 3.18Å; T111-R120 PolarHBondContact O-NH2 3.4Å; T111-R120 VanDerWaalsContact O-NH2 3.09Å; A116-R120 WeakPolarHBondContact O-CG 3.28Å; A116-R120 PolarHBondContact O-N 3.48Å; A116-R120 VanDerWaalsContact O-N 3.09Å; K117-R120 PolarHBondContact O-N 3.33Å; K117-R120 VanDerWaalsContact O-N 3.14Å; R120-G122 VanDerWaalsContact C-N 3.32Å; R120-G122 PolarHBondContact O-N 3.34Å; R120-V123 PolarHBondContact O-N 3.34Å; R120-T124 PolarHBondContact O-N 3.49Å; R120-T124 PolarHBondContact O-OG1 3.12Å; R120-T124 VanDerWaalsContact O-OG1 3.05Å; R120-F153 HydrophobicContact CB-CB 4.35Å
121	E	96.9	Very high	95.2	Very high	56 Å²	56	52 Å²	52	26%	0.262	26%	0.264	S	S	.	.	H	α-helix	trans	-55.2	-47.2	176	-72.1	170.7	-178.4	0	0	111.2	K117 V123 T124 E125 F153	K117-E121 WeakPolarHBondContact CE-OE1 3.38Å; K117-E121 IonicContact NZ-OE1 2.68Å; K117-E121 WeakPolarHBondContact O-CG 3.35Å; K117-E121 PolarHBondContact O-N 2.76Å; E121-V123 PolarHBondContact O-N 3.42Å; E121-T124 PolarHBondContact O-N 3.19Å; E121-E125 WeakPolarHBondContact O-CB 3.23Å; E121-E125 PolarHBondContact O-N 2.77Å; E121-F153 WeakPolarHBondContact CG-O 3.4Å
122	G	96.3	Very high	95.2	Very high	21 Å²	21	52.4 Å²	52.4	22%	0.216	27%	0.266	C	S	.	.	H	α-helix	trans	-64	-39.8	178.1	0	0	0	0	0	113.6	K118 R120 E125 F126	K118-G122 PolarHBondContact O-N 3.13Å; R120-G122 VanDerWaalsContact C-N 3.32Å; R120-G122 PolarHBondContact O-N 3.34Å; G122-E125 PolarHBondContact O-N 3.22Å; G122-F126 WeakPolarHBondContact O-CD2 3.45Å; G122-F126 PolarHBondContact O-N 2.92Å; G122-F126 VanDerWaalsContact O-N 3.12Å
123	V	96.7	Very high	95.3	Very high	18 Å²	18	53.9 Å²	53.9	11%	0.109	27%	0.273	C	S	.	.	H	α-helix	trans	-65.9	-46.7	176.2	170.3	0	0	0	0	111.1	C82 R83 M84 L86 A119 R120 E121 E125 F126 L127	C82-V123 VanDerWaalsContact O-CG1 3.25Å; C82-V123 WeakPolarHBondContact O-CG1 3.47Å; R83-V123 HydrophobicContact CB-CG2 4.18Å; M84-V123 HydrophobicContact CB-CG1 4.19Å; M84-V123 HydrophobicContact SD-CB 4.29Å; M84-V123 HydrophobicContact SD-CG1 4.04Å; L86-V123 HydrophobicContact CD1-CG2 4.26Å; A119-V123 VanDerWaalsContact O-CG2 3.31Å; A119-V123 WeakPolarHBondContact O-CG2 3.33Å; A119-V123 PolarHBondContact O-N 3.38Å; R120-V123 PolarHBondContact O-N 3.34Å; E121-V123 PolarHBondContact O-N 3.42Å; V123-E125 VanDerWaalsContact C-N 3.26Å; V123-E125 PolarHBondContact O-N 3.32Å; V123-F126 PolarHBondContact O-N 3.42Å; V123-L127 HydrophobicContact CG1-CD1 4.03Å; V123-L127 HydrophobicContact CG1-CG 4.37Å; V123-L127 WeakPolarHBondContact O-CG 3.27Å; V123-L127 PolarHBondContact O-N 3.37Å
124	T	96.4	Very high	95.3	Very high	1 Å²	1	55.3 Å²	55.3	1%	0.006	28%	0.279	C	S	.	.	H	α-helix	trans	-59.1	-40.6	177.1	-54.5	0	0	0	0	111.3	M84 R120 E121 F126 L127 L128	M84-T124 WeakPolarHBondContact CE-OG1 3.42Å; R120-T124 PolarHBondContact O-N 3.49Å; R120-T124 PolarHBondContact O-OG1 3.12Å; R120-T124 VanDerWaalsContact O-OG1 3.05Å; E121-T124 PolarHBondContact O-N 3.19Å; T124-F126 PolarHBondContact O-N 3.49Å; T124-L127 PolarHBondContact O-N 2.98Å; T124-L128 HydrophobicContact CG2-CD1 3.89Å; T124-L128 HydrophobicContact CG2-CG 4.34Å; T124-L128 WeakPolarHBondContact O-CB 3.4Å; T124-L128 WeakPolarHBondContact O-CG 3.45Å; T124-L128 PolarHBondContact O-N 3.01Å
125	E	95.9	Very high	95.4	Very high	33 Å²	33	52.8 Å²	52.8	15%	0.154	27%	0.271	C	S	.	.	H	α-helix	trans	-60.4	-45.5	175.7	-175.1	178	-163.2	0	0	112.3	E121 G122 V123 L127 L128 A129 R159	E121-E125 WeakPolarHBondContact O-CB 3.23Å; E121-E125 PolarHBondContact O-N 2.77Å; G122-E125 PolarHBondContact O-N 3.22Å; V123-E125 VanDerWaalsContact C-N 3.26Å; V123-E125 PolarHBondContact O-N 3.32Å; E125-L127 VanDerWaalsContact C-N 3.32Å; E125-L127 PolarHBondContact O-N 3.39Å; E125-L128 PolarHBondContact O-N 3Å; E125-A129 WeakPolarHBondContact O-CB 3.29Å; E125-A129 PolarHBondContact O-N 3.46Å; E125-R159 VanDerWaalsContact CD-NH2 3.29Å; E125-R159 WeakPolarHBondContact OE1-CB 3.42Å; E125-R159 IonicContact OE1-CZ 2.74Å; E125-R159 IonicContact OE1-NE 3.93Å; E125-R159 PolarHBondContact OE1-NE 3.41Å; E125-R159 IonicContact OE1-NH2 2.97Å; E125-R159 PolarHBondContact OE1-NH2 3.22Å; E125-R159 VanDerWaalsContact OE1-NH2 3.16Å; E125-R159 IonicContact OE2-CZ 2.71Å; E125-R159 IonicContact OE2-NE 3.54Å; E125-R159 IonicContact OE2-NH2 3.54Å; E125-R159 PolarHBondContact OE2-NH2 3.15Å
126	F	94.7	Very high	95.4	Very high	160 Å²	160	54.7 Å²	54.7	70%	0.702	29%	0.289	S	S	*	.	H	α-helix	trans	-63.9	-36.7	176.1	-69.5	-54.5	0	0	0	113	G122 V123 T124	G122-F126 WeakPolarHBondContact O-CD2 3.45Å; G122-F126 PolarHBondContact O-N 2.92Å; G122-F126 VanDerWaalsContact O-N 3.12Å; V123-F126 PolarHBondContact O-N 3.42Å; T124-F126 PolarHBondContact O-N 3.49Å
127	L	95.4	Very high	95.4	Very high	27 Å²	27	58.5 Å²	58.5	14%	0.141	31%	0.311	C	S	.	.	H	α-helix	trans	-65.3	-43.1	176.3	-67.8	174.1	0	0	0	111.1	Y70 V123 T124 E125 H131 L146 I188	Y70-L127 HydrophobicContact CD2-CD1 3.49Å; Y70-L127 VanDerWaalsContact CD2-CD1 3.49Å; Y70-L127 HydrophobicContact CE2-CD1 3.26Å; Y70-L127 HydrophobicContact CG-CD1 4.49Å; V123-L127 HydrophobicContact CG1-CD1 4.03Å; V123-L127 HydrophobicContact CG1-CG 4.37Å; V123-L127 WeakPolarHBondContact O-CG 3.27Å; V123-L127 PolarHBondContact O-N 3.37Å; T124-L127 PolarHBondContact O-N 2.98Å; E125-L127 VanDerWaalsContact C-N 3.32Å; E125-L127 PolarHBondContact O-N 3.39Å; L127-H131 WeakPolarHBondContact O-CB 3.45Å; L127-L146 HydrophobicContact CB-CD1 4.22Å; L127-L146 HydrophobicContact CD1-CD1 4.32Å; L127-I188 HydrophobicContact CD2-CB 4Å; L127-I188 HydrophobicContact CD2-CG2 4.23Å
128	L	95.2	Very high	95.4	Very high	60 Å²	60	53.3 Å²	53.3	31%	0.314	29%	0.29	S	S	.	.	H	α-helix	trans	-80.2	-19.1	-179	-65.5	177.4	0	0	0	113.9	T124 E125 N130 H131 L146 S150 K168	T124-L128 HydrophobicContact CG2-CD1 3.89Å; T124-L128 HydrophobicContact CG2-CG 4.34Å; T124-L128 WeakPolarHBondContact O-CB 3.4Å; T124-L128 WeakPolarHBondContact O-CG 3.45Å; T124-L128 PolarHBondContact O-N 3.01Å; E125-L128 PolarHBondContact O-N 3Å; L128-N130 VanDerWaalsContact C-N 3.3Å; L128-N130 PolarHBondContact O-N 3.15Å; L128-H131 HydrophobicContact CD2-CB 4.38Å; L128-H131 PolarHBondContact O-N 3.38Å; L128-L146 HydrophobicContact CD2-CD1 4.18Å; L128-L146 HydrophobicContact CD2-CD2 4.07Å; L128-L146 HydrophobicContact CD2-CG 4.13Å; L128-S150 WeakPolarHBondContact CD1-OG 3.33Å; L128-K168 PolarHBondContact O-NZ 3.04Å
129	A	92.9	Very high	95.3	Very high	13 Å²	13	47.4 Å²	47.4	11%	0.107	26%	0.264	C	S	.	.	H	α-helix	trans	-54.3	-45.7	178.9	0	0	0	0	0	111.9	E125 F160 K168	E125-A129 WeakPolarHBondContact O-CB 3.29Å; E125-A129 PolarHBondContact O-N 3.46Å; A129-F160 HydrophobicContact CB-CD2 3.96Å; A129-F160 HydrophobicContact CB-CE2 4.48Å; A129-F160 HydrophobicContact CB-CG 4.26Å; A129-K168 PolarHBondContact O-NZ 3.29Å
130	N	91.9	Very high	95.1	Very high	57 Å²	57	47.5 Å²	47.5	31%	0.305	26%	0.262	S	S	.	.	S	Bend	trans	-107.3	3.8	-179.6	-81	-53.5	0	0	0	114.3	L128 R169	L128-N130 VanDerWaalsContact C-N 3.3Å; L128-N130 PolarHBondContact O-N 3.15Å; N130-R169 HydrophobicContact CB-CG 4.07Å; N130-R169 PolarHBondContact OD1-N 2.88Å
131	H	94.6	Very high	94.9	Very high	25 Å²	25	46.9 Å²	46.9	12%	0.116	26%	0.261	C	S	.	.			trans	-78.5	139	177.2	-163.9	78.1	0	0	0	110.9	L127 L128 K168 R186	L127-H131 WeakPolarHBondContact O-CB 3.45Å; L128-H131 HydrophobicContact CD2-CB 4.38Å; L128-H131 PolarHBondContact O-N 3.38Å; H131-K168 WeakPolarHBondContact O-CD 3.41Å; H131-K168 WeakPolarHBondContact O-CE 3.29Å; H131-K168 PolarHBondContact O-NZ 3.44Å; H131-K168 VanDerWaalsContact O-NZ 3.12Å; H131-R186 PolarHBondContact CE1-O 3.37Å; H131-R186 PolarHBondContact ND1-O 2.99Å
132	P	94.8	Very high	94.7	Very high	18 Å²	18	45.8 Å²	45.8	12%	0.117	27%	0.265	C	S	.	.			trans	-72.2	155.9	179	31.5	-37.5	0	0	0	111.8	D134 T185 R186	P132-D134 HydrophobicContact CB-CB 4.37Å; P132-D134 HydrophobicContact CG-CB 4.29Å; P132-D134 PolarHBondContact O-N 3.45Å; P132-T185 HydrophobicContact CB-CG2 3.96Å; P132-T185 VanDerWaalsContact CD-O 3.25Å; P132-T185 WeakPolarHBondContact CD-O 3.16Å; P132-T185 HydrophobicContact CG-CG2 3.87Å; P132-R186 HydrophobicContact CG-CB 4.34Å; P132-R186 HydrophobicContact CG-CG 3.59Å
133	L	94.7	Very high	94.6	Very high	156 Å²	156	47 Å²	47	82%	0.817	27%	0.265	S	S	*	.	S	Bend	trans	-84.7	46.9	177.9	-69.3	163.7	0	0	0	111.7
134	D	95.5	Very high	94.6	Very high	45 Å²	45	46.7 Å²	46.7	24%	0.241	26%	0.263	C	S	.	.			trans	-90.7	0.2	-169.5	-89.2	13	0	0	0	114.1	P132 P136 V137 C138 R186	P132-D134 HydrophobicContact CB-CB 4.37Å; P132-D134 HydrophobicContact CG-CB 4.29Å; P132-D134 PolarHBondContact O-N 3.45Å; D134-P136 VanDerWaalsContact C-N 3.27Å; D134-V137 HydrophobicContact CB-CG2 4.04Å; D134-V137 CarbonylContact O-C 3.34Å; D134-V137 VanDerWaalsContact O-CG2 3.22Å; D134-V137 WeakPolarHBondContact O-CG2 3.11Å; D134-V137 PolarHBondContact O-N 2.99Å; D134-C138 VanDerWaalsContact O-CB 3.27Å; D134-C138 WeakPolarHBondContact O-CB 3.3Å; D134-C138 PolarHBondContact O-N 3.27Å; D134-R186 IonicContact OD2-CZ 2.75Å; D134-R186 VanDerWaalsContact OD2-CZ 3.3Å; D134-R186 IonicContact OD2-NE 3.23Å; D134-R186 PolarHBondContact OD2-NE 2.82Å; D134-R186 IonicContact OD2-NH2 2.77Å; D134-R186 PolarHBondContact OD2-NH2 3.05Å
135	C	95.6	Very high	94.6	Very high	68 Å²	68	49.3 Å²	49.3	46%	0.459	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-47.2	-41	-172.2	-57.8	0	0	0	0	114.5	V137 C138	C135-V137 PolarHBondContact O-N 3.43Å; C135-C138 PolarHBondContact O-N 3.05Å
136	P	95.5	Very high	94.6	Very high	105 Å²	105	48 Å²	48	68%	0.682	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-33.4	178.1	-21.9	34.8	0	0	0	114.5	D134 R252	D134-P136 VanDerWaalsContact C-N 3.27Å; P136-R252 PolarHBondContact O-NH2 2.87Å
137	V	95.3	Very high	94.7	Very high	79 Å²	79	44 Å²	44	48%	0.479	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.2	-2.4	-179.1	-62.6	0	0	0	0	112.4	D134 C135 F249	D134-V137 HydrophobicContact CB-CG2 4.04Å; D134-V137 CarbonylContact O-C 3.34Å; D134-V137 VanDerWaalsContact O-CG2 3.22Å; D134-V137 WeakPolarHBondContact O-CG2 3.11Å; D134-V137 PolarHBondContact O-N 2.99Å; C135-V137 PolarHBondContact O-N 3.43Å; V137-F249 WeakPolarHBondContact O-CE1 3.41Å
138	C	95.7	Very high	94.8	Very high	10 Å²	10	46.4 Å²	46.4	7%	0.068	27%	0.268	C	S	.	.			trans	-81.5	124.8	-179.8	-178.8	0	0	0	0	110.3	D134 C135 Q140 G141 R252	D134-C138 VanDerWaalsContact O-CB 3.27Å; D134-C138 WeakPolarHBondContact O-CB 3.3Å; D134-C138 PolarHBondContact O-N 3.27Å; C135-C138 PolarHBondContact O-N 3.05Å; C138-Q140 PolarHBondContact O-N 3.3Å; C138-G141 PolarHBondContact O-N 2.94Å; C138-R252 PolarHBondContact O-NH1 3.27Å; C138-R252 PolarHBondContact O-NH2 2.99Å
139	D	93.6	Very high	94.8	Very high	4 Å²	4	44.6 Å²	44.6	2%	0.021	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58	-37.9	178.7	-71.4	-40	0	0	0	112.5	G141 T243 S248 F249 R252	D139-G141 PolarHBondContact O-N 3.49Å; D139-T243 HydrophobicContact CB-CG2 4.04Å; D139-T243 PolarHBondContact OD2-OG1 2.66Å; D139-S248 WeakPolarHBondContact OD2-CA 3.36Å; D139-S248 WeakPolarHBondContact OD2-CB 3.48Å; D139-S248 PolarHBondContact OD2-OG 3.4Å; D139-F249 WeakPolarHBondContact OD1-CD1 3.38Å; D139-F249 PolarHBondContact OD1-N 3.32Å; D139-R252 VanDerWaalsContact CA-NH1 3.26Å; D139-R252 PolarHBondContact O-NH1 2.98Å
140	Q	93.1	Very high	95	Very high	23 Å²	23	45 Å²	45	11%	0.107	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-4.2	177.5	-151.8	75.4	13.4	0	0	113.5	C138 G142 E143 C144	C138-Q140 PolarHBondContact O-N 3.3Å; Q140-G142 PolarHBondContact O-N 2.91Å; Q140-E143 HydrophobicContact CG-CG 4.07Å; Q140-E143 PolarHBondContact NE2-O 3.21Å; Q140-E143 CarbonylContact O-C 3.52Å; Q140-E143 PolarHBondContact O-N 3.42Å; Q140-C144 HydrophobicContact CB-CB 4.5Å; Q140-C144 HydrophobicContact CG-CB 4.15Å; Q140-C144 WeakPolarHBondContact O-CB 3.49Å; Q140-C144 PolarHBondContact O-N 2.85Å
141	G	92	Very high	95.2	Very high	5 Å²	5	49.8 Å²	49.8	5%	0.052	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	123.3	177.1	0	0	0	0	0	110.5	C138 D139 P253 W254	C138-G141 PolarHBondContact O-N 2.94Å; D139-G141 PolarHBondContact O-N 3.49Å; G141-P253 WeakPolarHBondContact O-CD 3.12Å; G141-P253 WeakPolarHBondContact O-CG 3.48Å; G141-W254 VanDerWaalsContact O-CZ3 3.26Å; G141-W254 WeakPolarHBondContact O-CZ3 3.39Å
142	G	92.9	Very high	95.2	Very high	34 Å²	34	54.8 Å²	54.8	35%	0.351	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	95	-8.6	-173.8	0	0	0	0	0	116.4	Q140 Q147	Q140-G142 PolarHBondContact O-N 2.91Å; G142-Q147 VanDerWaalsContact N-OE1 3.13Å
143	E	94.1	Very high	95.2	Very high	46 Å²	46	56.7 Å²	56.7	22%	0.215	32%	0.316	C	S	.	.	S	Bend	trans	-139.4	29.3	172.7	64.4	-178.1	175.5	0	0	111.3	Q140 P253 R283	Q140-E143 HydrophobicContact CG-CG 4.07Å; Q140-E143 PolarHBondContact NE2-O 3.21Å; Q140-E143 CarbonylContact O-C 3.52Å; Q140-E143 PolarHBondContact O-N 3.42Å; E143-P253 HydrophobicContact CB-CB 4.15Å; E143-P253 HydrophobicContact CB-CG 4.1Å; E143-P253 HydrophobicContact CG-CB 4.14Å; E143-P253 HydrophobicContact CG-CG 3.98Å; E143-R283 IonicContact OE1-CZ 2.76Å; E143-R283 IonicContact OE1-NH1 3.64Å; E143-R283 PolarHBondContact OE1-NH1 2.83Å; E143-R283 IonicContact OE1-NH2 2.83Å; E143-R283 PolarHBondContact OE1-NH2 3.41Å; E143-R283 IonicContact OE2-CZ 3.64Å; E143-R283 IonicContact OE2-NH1 3.86Å; E143-R283 IonicContact OE2-NH2 2.68Å; E143-R283 PolarHBondContact OE2-NH2 3.08Å
144	C	96.8	Very high	95.1	Very high	11 Å²	11	50.1 Å²	50.1	7%	0.074	29%	0.285	C	S	.	.			trans	-96.2	117.7	-174.9	179.7	0	0	0	0	109.9	Q140 L146 Q147 D148	Q140-C144 HydrophobicContact CB-CB 4.5Å; Q140-C144 HydrophobicContact CG-CB 4.15Å; Q140-C144 WeakPolarHBondContact O-CB 3.49Å; Q140-C144 PolarHBondContact O-N 2.85Å; C144-L146 PolarHBondContact O-N 3.46Å; C144-L146 VanDerWaalsContact O-N 3.12Å; C144-Q147 HydrophobicContact CB-CB 3.86Å; C144-Q147 WeakPolarHBondContact O-CB 3.48Å; C144-Q147 PolarHBondContact O-N 2.56Å; C144-D148 PolarHBondContact O-N 2.99Å
145	D	95.9	Very high	95	Very high	57 Å²	57	50.1 Å²	50.1	31%	0.305	29%	0.289	S	S	.	.	H	α-helix	trans	-51.8	-38.8	175.8	-72.6	-19.5	0	0	0	111.3	Y70 Q149 R192 P238	Y70-D145 HydrophobicContact CD1-CB 4.26Å; Y70-D145 HydrophobicContact CE1-CB 4.1Å; D145-Q149 WeakPolarHBondContact O-CB 3.34Å; D145-Q149 VanDerWaalsContact O-CG 3.27Å; D145-Q149 WeakPolarHBondContact O-CG 3.49Å; D145-Q149 PolarHBondContact O-N 2.64Å; D145-R192 IonicContact OD2-CZ 2.67Å; D145-R192 IonicContact OD2-NH1 3.72Å; D145-R192 PolarHBondContact OD2-NH1 2.79Å; D145-R192 IonicContact OD2-NH2 3.7Å; D145-P238 HydrophobicContact CB-CB 3.84Å; D145-P238 WeakPolarHBondContact CB-O 3.5Å; D145-P238 PolarHBondContact N-O 3.26Å; D145-P238 WeakPolarHBondContact OD2-CB 3.33Å
146	L	97	Very high	95	Very high	4 Å²	4	53.2 Å²	53.2	2%	0.021	30%	0.301	C	S	.	.	H	α-helix	trans	-65.3	-39.7	179.6	-179	63.4	0	0	0	112	Y70 L127 L128 C144 S150 I188 P238 V239	Y70-L146 HydrophobicContact CE1-CB 4.12Å; Y70-L146 HydrophobicContact CE1-CD1 4.16Å; Y70-L146 HydrophobicContact CE2-CD1 4.47Å; Y70-L146 WeakPolarHBondContact OH-CD1 3.49Å; L127-L146 HydrophobicContact CB-CD1 4.22Å; L127-L146 HydrophobicContact CD1-CD1 4.32Å; L128-L146 HydrophobicContact CD2-CD1 4.18Å; L128-L146 HydrophobicContact CD2-CD2 4.07Å; L128-L146 HydrophobicContact CD2-CG 4.13Å; C144-L146 PolarHBondContact O-N 3.46Å; C144-L146 VanDerWaalsContact O-N 3.12Å; L146-S150 WeakPolarHBondContact O-CB 3.49Å; L146-S150 PolarHBondContact O-N 3.3Å; L146-I188 HydrophobicContact CD2-CG2 4.05Å; L146-P238 PolarHBondContact N-O 3.33Å; L146-V239 HydrophobicContact CB-CG1 3.75Å; L146-V239 HydrophobicContact CD2-CG1 3.83Å; L146-V239 HydrophobicContact CG-CG1 4.43Å
147	Q	96.8	Very high	94.9	Very high	77 Å²	77	56.4 Å²	56.4	36%	0.36	30%	0.299	S	S	.	.	H	α-helix	trans	-66.7	-50.9	177.3	-175.8	177.4	2.5	0	0	110.3	G142 C144 S150 M151	G142-Q147 VanDerWaalsContact N-OE1 3.13Å; C144-Q147 HydrophobicContact CB-CB 3.86Å; C144-Q147 WeakPolarHBondContact O-CB 3.48Å; C144-Q147 PolarHBondContact O-N 2.56Å; Q147-S150 PolarHBondContact O-N 2.85Å; Q147-M151 WeakPolarHBondContact O-CG 3.45Å; Q147-M151 PolarHBondContact O-N 3.16Å
148	D	96.6	Very high	94.7	Very high	77 Å²	77	56.7 Å²	56.7	41%	0.412	31%	0.305	S	S	.	.	H	α-helix	trans	-66.9	-46.5	-174.8	-65.5	-16.8	0	0	0	111.6	C144 S150 M151 L152	C144-D148 PolarHBondContact O-N 2.99Å; D148-S150 VanDerWaalsContact C-N 3.31Å; D148-S150 PolarHBondContact O-N 2.9Å; D148-M151 PolarHBondContact O-N 3.28Å; D148-L152 VanDerWaalsContact O-CG 3.32Å; D148-L152 WeakPolarHBondContact O-CG 3.38Å; D148-L152 PolarHBondContact O-N 3.25Å
149	Q	95.6	Very high	94.5	Very high	22 Å²	22	64.7 Å²	64.7	10%	0.103	33%	0.334	C	S	.	.	H	α-helix	trans	-70	-27.7	178.1	-66	178.4	25.6	0	0	112.4	P68 R69 Y70 M84 D145 F153 G154	P68-Q149 HydrophobicContact CB-CG 4.29Å; R69-Q149 PolarHBondContact O-NE2 2.86Å; Y70-Q149 HydrophobicContact CE1-CB 4.39Å; Y70-Q149 VanDerWaalsContact OH-CB 3.31Å; Y70-Q149 WeakPolarHBondContact OH-CB 3.27Å; M84-Q149 HydrophobicContact CE-CB 4.25Å; D145-Q149 WeakPolarHBondContact O-CB 3.34Å; D145-Q149 VanDerWaalsContact O-CG 3.27Å; D145-Q149 WeakPolarHBondContact O-CG 3.49Å; D145-Q149 PolarHBondContact O-N 2.64Å; Q149-F153 HydrophobicContact CB-CD2 4.33Å; Q149-F153 WeakPolarHBondContact O-CB 3.5Å; Q149-F153 PolarHBondContact O-N 3.07Å; Q149-G154 PolarHBondContact O-N 2.9Å
150	S	96.2	Very high	94.2	Very high	22 Å²	22	68.5 Å²	68.5	15%	0.154	35%	0.35	C	S	.	.	H	α-helix	trans	-67.2	-41.5	171.2	-177	0	0	0	0	111.4	L128 L146 Q147 D148 L152 G154	L128-S150 WeakPolarHBondContact CD1-OG 3.33Å; L146-S150 WeakPolarHBondContact O-CB 3.49Å; L146-S150 PolarHBondContact O-N 3.3Å; Q147-S150 PolarHBondContact O-N 2.85Å; D148-S150 VanDerWaalsContact C-N 3.31Å; D148-S150 PolarHBondContact O-N 2.9Å; S150-L152 VanDerWaalsContact C-N 3.33Å; S150-G154 VanDerWaalsContact O-CA 3.23Å; S150-G154 WeakPolarHBondContact O-CA 3.44Å; S150-G154 PolarHBondContact O-N 3.36Å
151	M	96.2	Very high	93.6	Very high	157 Å²	157	75.1 Å²	75.1	77%	0.773	38%	0.383	S	S	*	.	H	α-helix	trans	-67.2	-33.6	177.3	-70.1	-59.1	-59.8	0	0	112.5	Q147 D148	Q147-M151 WeakPolarHBondContact O-CG 3.45Å; Q147-M151 PolarHBondContact O-N 3.16Å; D148-M151 PolarHBondContact O-N 3.28Å
152	L	94.8	Very high	92.6	Very high	130 Å²	130	77 Å²	77	68%	0.681	39%	0.392	S	S	*	.	H	α-helix	trans	-87.2	-41.5	-177.3	-67.6	172.2	0	0	0	114.2	D148 S150	D148-L152 VanDerWaalsContact O-CG 3.32Å; D148-L152 WeakPolarHBondContact O-CG 3.38Å; D148-L152 PolarHBondContact O-N 3.25Å; S150-L152 VanDerWaalsContact C-N 3.33Å
153	F	94.5	Very high	91	Very high	59 Å²	59	81.5 Å²	81.5	26%	0.259	41%	0.412	S	S	.	.	H	α-helix	trans	-123.8	-11.3	-170	-56.1	-74.4	0	0	0	114.3	P68 M84 R120 E121 Q149	P68-F153 HydrophobicContact CB-CD2 3.69Å; P68-F153 HydrophobicContact CB-CE2 3.72Å; P68-F153 HydrophobicContact CB-CG 4.39Å; P68-F153 HydrophobicContact CB-CZ 4.43Å; P68-F153 HydrophobicContact CG-CD1 4.41Å; P68-F153 HydrophobicContact CG-CD2 3.89Å; P68-F153 HydrophobicContact CG-CE1 4.47Å; P68-F153 HydrophobicContact CG-CE2 3.97Å; P68-F153 HydrophobicContact CG-CG 4.12Å; P68-F153 HydrophobicContact CG-CZ 4.26Å; M84-F153 HydrophobicContact CE-CB 3.94Å; M84-F153 HydrophobicContact CE-CD2 4.49Å; R120-F153 HydrophobicContact CB-CB 4.35Å; E121-F153 WeakPolarHBondContact CG-O 3.4Å; Q149-F153 HydrophobicContact CB-CD2 4.33Å; Q149-F153 WeakPolarHBondContact O-CB 3.5Å; Q149-F153 PolarHBondContact O-N 3.07Å
154	G	93	Very high	89.8	Confident	17 Å²	17	85.8 Å²	85.8	18%	0.175	44%	0.437	C	S	.	.	S	Bend	trans	-81.2	172.3	179.5	0	0	0	0	0	113.7	Q149 S150	Q149-G154 PolarHBondContact O-N 2.9Å; S150-G154 VanDerWaalsContact O-CA 3.23Å; S150-G154 WeakPolarHBondContact O-CA 3.44Å; S150-G154 PolarHBondContact O-N 3.36Å
155	S	93.6	Very high	88.3	Confident	46 Å²	46	94.5 Å²	94.5	32%	0.322	47%	0.474	S	S	.	.			trans	-76.9	156.6	168.1	58.4	0	0	0	0	111.5	R157	S155-R157 VanDerWaalsContact C-N 3.31Å; S155-R157 PolarHBondContact O-N 3.01Å; S155-R157 PolarHBondContact OG-O 3.14Å; S155-R157 VanDerWaalsContact OG-O 3.08Å
156	D	94.9	Very high	87.1	Confident	132 Å²	132	95.8 Å²	95.8	71%	0.706	49%	0.493	S	S	*	.	S	Bend	trans	-76.7	-14.3	179.8	67.6	-20.4	0	0	0	114.1
157	R	93.8	Very high	86.4	Confident	172 Å²	172	97.6 Å²	97.6	65%	0.649	51%	0.512	S	S	*	.	S	Bend	trans	-138.4	153.8	-173.4	70.5	-167	72	-166.3	-4.1	112.1	S155	S155-R157 VanDerWaalsContact C-N 3.31Å; S155-R157 PolarHBondContact O-N 3.01Å; S155-R157 PolarHBondContact OG-O 3.14Å; S155-R157 VanDerWaalsContact OG-O 3.08Å
158	S	92.4	Very high	86.1	Confident	86 Å²	86	97.6 Å²	97.6	60%	0.601	51%	0.511	S	S	*	.			trans	-91.2	145.2	169.5	179.4	0	0	0	0	110.6	F160	S158-F160 PolarHBondContact OG-N 3.42Å
159	R	90.3	Very high	85.8	Confident	177 Å²	177	97.1 Å²	97.1	67%	0.668	50%	0.503	S	S	*	.			trans	-110.4	-1.6	168.9	-57.2	-178	-66.8	168.2	-1.2	112.9	E125 M161	E125-R159 VanDerWaalsContact CD-NH2 3.29Å; E125-R159 WeakPolarHBondContact OE1-CB 3.42Å; E125-R159 IonicContact OE1-CZ 2.74Å; E125-R159 IonicContact OE1-NE 3.93Å; E125-R159 PolarHBondContact OE1-NE 3.41Å; E125-R159 IonicContact OE1-NH2 2.97Å; E125-R159 PolarHBondContact OE1-NH2 3.22Å; E125-R159 VanDerWaalsContact OE1-NH2 3.16Å; E125-R159 IonicContact OE2-CZ 2.71Å; E125-R159 IonicContact OE2-NE 3.54Å; E125-R159 IonicContact OE2-NH2 3.54Å; E125-R159 PolarHBondContact OE2-NH2 3.15Å; R159-M161 PolarHBondContact O-N 2.82Å
160	F	87.8	Confident	85.6	Confident	84 Å²	84	100.2 Å²	100.2	37%	0.368	53%	0.532	S	S	.	.			trans	-70.3	94.8	-177.9	-174.2	-100	0	0	0	109.9	A129 S158 D162 K168	A129-F160 HydrophobicContact CB-CD2 3.96Å; A129-F160 HydrophobicContact CB-CE2 4.48Å; A129-F160 HydrophobicContact CB-CG 4.26Å; S158-F160 PolarHBondContact OG-N 3.42Å; F160-D162 HydrophobicContact CE1-CB 4.33Å; F160-K168 HydrophobicContact CE1-CG 4.21Å
161	M	80.9	Confident	85.5	Confident	162 Å²	162	99.9 Å²	99.9	80%	0.798	53%	0.53	S	S	*	.			trans	-100.5	119.7	162.9	-62.1	-174.8	-63.2	0	0	106.1	R159 V163	R159-M161 PolarHBondContact O-N 2.82Å; M161-V163 PolarHBondContact O-N 2.97Å
162	D	71.2	Confident	85.3	Confident	45 Å²	45	100 Å²	100	24%	0.241	53%	0.528	C	S	.	.			trans	-70.9	104.7	176.2	-169.1	-18.6	0	0	0	109.1	F160 D164 F165 A166 G167	F160-D162 HydrophobicContact CE1-CB 4.33Å; D162-D164 PolarHBondContact O-N 2.97Å; D162-D164 PolarHBondContact OD1-N 3.13Å; D162-F165 PolarHBondContact OD1-N 3.14Å; D162-A166 PolarHBondContact OD1-N 3.2Å; D162-A166 WeakPolarHBondContact OD2-CA 3.38Å; D162-A166 PolarHBondContact OD2-N 3.28Å; D162-G167 VanDerWaalsContact OD2-CA 3.26Å; D162-G167 WeakPolarHBondContact OD2-CA 3.18Å; D162-G167 PolarHBondContact OD2-N 3.33Å
163	V	59.6	Low	85.2	Confident	128 Å²	128	97.8 Å²	97.8	78%	0.776	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-25.7	-178.1	-174.8	0	0	0	0	110.8	M161	M161-V163 PolarHBondContact O-N 2.97Å
164	D	67.4	Low	85.1	Confident	136 Å²	136	96.4 Å²	96.4	73%	0.727	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.7	5	-172.8	-61.8	-35.9	0	0	0	113.1	D162 A166	D162-D164 PolarHBondContact O-N 2.97Å; D162-D164 PolarHBondContact OD1-N 3.13Å; D164-A166 PolarHBondContact O-N 3.12Å; D164-A166 VanDerWaalsContact O-N 3.09Å
165	F	66.7	Low	85	Confident	195 Å²	195	100.6 Å²	100.6	86%	0.855	53%	0.529	S	S	*	.	S	Bend	trans	53.1	23.6	-175	-60.7	-87.5	0	0	0	114.4	D162 G167	D162-F165 PolarHBondContact OD1-N 3.14Å; F165-G167 VanDerWaalsContact C-N 3.26Å; F165-G167 PolarHBondContact O-N 2.87Å
166	A	70.4	Confident	85	Confident	84 Å²	84	98.6 Å²	98.6	69%	0.694	52%	0.515	S	S	*	.			trans	-74.3	-12.9	-177.7	0	0	0	0	0	114.1	D162 D164	D162-A166 PolarHBondContact OD1-N 3.2Å; D162-A166 WeakPolarHBondContact OD2-CA 3.38Å; D162-A166 PolarHBondContact OD2-N 3.28Å; D164-A166 PolarHBondContact O-N 3.12Å; D164-A166 VanDerWaalsContact O-N 3.09Å
167	G	81.3	Confident	84.8	Confident	42 Å²	42	92.8 Å²	92.8	43%	0.433	49%	0.486	S	S	.	.			trans	70.8	171.3	-166.5	0	0	0	0	0	114	D162 F165	D162-G167 VanDerWaalsContact OD2-CA 3.26Å; D162-G167 WeakPolarHBondContact OD2-CA 3.18Å; D162-G167 PolarHBondContact OD2-N 3.33Å; F165-G167 VanDerWaalsContact C-N 3.26Å; F165-G167 PolarHBondContact O-N 2.87Å
168	K	90.6	Very high	84.8	Confident	76 Å²	76	85.7 Å²	85.7	33%	0.33	46%	0.463	S	S	.	.	S	Bend	trans	-61.4	146.5	161.2	-64.7	172.4	175.7	-82.3	0	108.6	L128 A129 H131 F160	L128-K168 PolarHBondContact O-NZ 3.04Å; A129-K168 PolarHBondContact O-NZ 3.29Å; H131-K168 WeakPolarHBondContact O-CD 3.41Å; H131-K168 WeakPolarHBondContact O-CE 3.29Å; H131-K168 PolarHBondContact O-NZ 3.44Å; H131-K168 VanDerWaalsContact O-NZ 3.12Å; F160-K168 HydrophobicContact CE1-CG 4.21Å
169	R	90.7	Very high	84.9	Confident	68 Å²	68	81.7 Å²	81.7	26%	0.257	44%	0.435	S	S	.	.			trans	-59.6	143	172.6	70.7	179.5	177.6	158.2	-2.5	111.1	N130 H189 G213	N130-R169 HydrophobicContact CB-CG 4.07Å; N130-R169 PolarHBondContact OD1-N 2.88Å; R169-H189 PolarHBondContact NH1-CE1 3.29Å; R169-H189 PolarHBondContact NH1-NE2 2.85Å; R169-H189 PolarHBondContact NH2-CE1 2.73Å; R169-H189 PolarHBondContact NH2-ND1 2.91Å; R169-G213 WeakPolarHBondContact CD-O 3.2Å; R169-G213 PolarHBondContact NH1-O 2.78Å
170	A	91.7	Very high	85.2	Confident	86 Å²	86	73.4 Å²	73.4	71%	0.711	40%	0.404	S	S	*	.			trans	-118.6	144.7	167.2	0	0	0	0	0	109
171	V	92.8	Very high	85.5	Confident	16 Å²	16	71.5 Å²	71.5	10%	0.097	40%	0.395	C	S	.	.			trans	-123.4	136.9	-178.2	-177.2	0	0	0	0	108.2	M184 T185 Q216	V171-M184 HydrophobicContact CB-CB 4.19Å; V171-M184 HydrophobicContact CG1-CB 3.79Å; V171-T185 PolarHBondContact N-OG1 3.46Å; V171-T185 PolarHBondContact O-OG1 2.96Å; V171-Q216 HydrophobicContact CG1-CB 4.48Å; V171-Q216 HydrophobicContact CG1-CG 3.82Å
172	E	92.8	Very high	86.2	Confident	159 Å²	159	64.3 Å²	64.3	74%	0.743	36%	0.36	S	S	*	.	P	Polyproline II helix	trans	-61.1	138.7	173.9	-173.2	-179.7	178.3	0	0	111.1
173	D	93.4	Very high	87.4	Confident	83 Å²	83	63.1 Å²	63.1	44%	0.444	35%	0.354	S	S	.	.	P	Polyproline II helix	trans	-78.4	128.1	177.9	-66.9	-21.1	0	0	0	110.1	T182 I183 M184	D173-T182 WeakPolarHBondContact CB-O 3.14Å; D173-I183 VanDerWaalsContact OD1-CA 3.23Å; D173-I183 WeakPolarHBondContact OD1-CA 3.48Å; D173-M184 PolarHBondContact OD1-N 3.03Å
174	K	91.3	Very high	89.1	Confident	30 Å²	30	57.3 Å²	57.3	13%	0.13	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-98.6	117.6	-173.9	-65.6	178.6	177.8	-175.1	0	110.9	I176 T182 I217	K174-I176 PolarHBondContact O-N 3.07Å; K174-T182 WeakPolarHBondContact O-CB 3.06Å; K174-T182 WeakPolarHBondContact O-CG2 3.34Å; K174-T182 PolarHBondContact O-OG1 2.92Å; K174-I217 WeakPolarHBondContact CD-O 3.36Å; K174-I217 WeakPolarHBondContact CE-O 3.44Å; K174-I217 PolarHBondContact NZ-O 2.86Å
175	D	91.5	Very high	90.5	Very high	106 Å²	106	52.3 Å²	52.3	57%	0.567	29%	0.292	S	S	*	.			trans	-74.3	111.8	175.9	-166.6	19.9	0	0	0	111.3	G177 K245	D175-G177 PolarHBondContact OD1-N 2.89Å; D175-K245 IonicContact OD1-NZ 3.56Å; D175-K245 PolarHBondContact OD1-NZ 2.77Å; D175-K245 VanDerWaalsContact OD1-NZ 3.12Å
176	I	92.8	Very high	91.9	Very high	3 Å²	3	43.3 Å²	43.3	2%	0.015	25%	0.253	C	S	.	.			trans	-111.3	7	179.8	64.2	176.2	0	0	0	112.5	K174 V180 T182 F206 F224 F225 L242	K174-I176 PolarHBondContact O-N 3.07Å; I176-V180 HydrophobicContact CD1-CB 3.95Å; I176-V180 HydrophobicContact CD1-CG1 3.94Å; I176-V180 HydrophobicContact CG1-CB 4.23Å; I176-T182 HydrophobicContact CD1-CG2 3.45Å; I176-T182 VanDerWaalsContact CD1-CG2 3.45Å; I176-T182 HydrophobicContact CG1-CG2 3.6Å; I176-T182 HydrophobicContact CG2-CG2 4.47Å; I176-F206 HydrophobicContact CD1-CE2 4.14Å; I176-F206 HydrophobicContact CG2-CE2 4.38Å; I176-F224 WeakPolarHBondContact O-CD2 3.49Å; I176-F225 HydrophobicContact CB-CB 4.3Å; I176-F225 HydrophobicContact CD1-CD1 4.39Å; I176-F225 WeakPolarHBondContact O-CB 3.41Å; I176-F225 PolarHBondContact O-N 2.64Å; I176-L242 HydrophobicContact CD1-CD2 4.45Å
177	G	91.9	Very high	93.1	Very high	10 Å²	10	39.8 Å²	39.8	10%	0.103	22%	0.223	C	C	.	.			trans	137.6	177	175	0	0	0	0	0	115.4	D175 V179 K245	D175-G177 PolarHBondContact OD1-N 2.89Å; G177-V179 PolarHBondContact O-N 2.96Å; G177-K245 WeakPolarHBondContact O-CE 3.33Å; G177-K245 PolarHBondContact O-NZ 2.89Å
178	P	94	Very high	93.8	Very high	24 Å²	24	38.8 Å²	38.8	16%	0.156	21%	0.208	C	C	.	.	S	Bend	trans	-75.2	-10.9	-176.8	29.5	-33.7	0	0	0	113.9	K245 K720 C721 A724	P178-K245 WeakPolarHBondContact O-CB 3.47Å; P178-K720 HydrophobicContact CB-CB 4.03Å; P178-K720 HydrophobicContact CG-CB 4.49Å; P178-C721 HydrophobicContact CG-CB 4.43Å; P178-A724 HydrophobicContact CG-CB 4.01Å
179	V	94.3	Very high	94	Very high	2 Å²	2	36.1 Å²	36.1	1%	0.012	20%	0.196	C	C	.	.	S	Bend	trans	-94.1	-51.8	-171.5	176.6	0	0	0	0	112.4	G177 K245 P246 F303 C721	G177-V179 PolarHBondContact O-N 2.96Å; V179-K245 WeakPolarHBondContact O-CB 3.21Å; V179-K245 PolarHBondContact O-N 2.86Å; V179-P246 WeakPolarHBondContact O-CD 3.39Å; V179-F303 HydrophobicContact CB-CE2 4.3Å; V179-F303 HydrophobicContact CB-CZ 4.5Å; V179-F303 HydrophobicContact CG1-CD1 4.42Å; V179-F303 HydrophobicContact CG1-CD2 3.57Å; V179-F303 HydrophobicContact CG1-CE1 3.86Å; V179-F303 HydrophobicContact CG1-CE2 2.94Å; V179-F303 HydrophobicContact CG1-CG 4.29Å; V179-F303 HydrophobicContact CG1-CZ 3.1Å; V179-F303 HydrophobicContact CG2-CD2 4.43Å; V179-C721 WeakPolarHBondContact CG2-SG 3.49Å
180	V	95.9	Very high	94.2	Very high	3 Å²	3	33.1 Å²	33.1	2%	0.018	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	120.6	-175.4	-174.3	0	0	0	0	109.2	I176 V233 I234 L242 T243	I176-V180 HydrophobicContact CD1-CB 3.95Å; I176-V180 HydrophobicContact CD1-CG1 3.94Å; I176-V180 HydrophobicContact CG1-CB 4.23Å; V180-V233 HydrophobicContact CG1-CG2 4.11Å; V180-V233 HydrophobicContact CG2-CG2 3.89Å; V180-I234 HydrophobicContact CG1-CG1 4.18Å; V180-I234 HydrophobicContact CG2-CD1 4.09Å; V180-I234 HydrophobicContact CG2-CG1 4.18Å; V180-L242 HydrophobicContact CG1-CB 3.97Å; V180-L242 HydrophobicContact CG1-CD2 4.1Å; V180-T243 CarbonylContact C-O 3.46Å
181	K	95	Very high	94.4	Very high	44 Å²	44	29.8 Å²	29.8	19%	0.191	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	129.4	168.9	-174.4	177.5	-178	177.8	0	108.5	L242 T243 K245 S248	K181-L242 WeakPolarHBondContact O-CA 3.48Å; K181-T243 PolarHBondContact N-O 3.39Å; K181-T243 PolarHBondContact O-N 2.69Å; K181-K245 HydrophobicContact CB-CB 3.91Å; K181-K245 HydrophobicContact CB-CG 4.29Å; K181-S248 WeakPolarHBondContact CD-OG 3.25Å; K181-S248 PolarHBondContact NZ-OG 2.73Å
182	T	95.8	Very high	94.6	Very high	10 Å²	10	29.6 Å²	29.6	6%	0.061	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	126.4	-177.5	49.9	0	0	0	0	109.1	D173 K174 I176 M184 A241 L242	D173-T182 WeakPolarHBondContact CB-O 3.14Å; K174-T182 WeakPolarHBondContact O-CB 3.06Å; K174-T182 WeakPolarHBondContact O-CG2 3.34Å; K174-T182 PolarHBondContact O-OG1 2.92Å; I176-T182 HydrophobicContact CD1-CG2 3.45Å; I176-T182 VanDerWaalsContact CD1-CG2 3.45Å; I176-T182 HydrophobicContact CG1-CG2 3.6Å; I176-T182 HydrophobicContact CG2-CG2 4.47Å; T182-M184 HydrophobicContact CG2-SD 4.45Å; T182-A241 CarbonylContact C-O 3.53Å; T182-A241 WeakPolarHBondContact CA-O 3.19Å; T182-L242 HydrophobicContact CG2-CD2 3.76Å
183	I	96.4	Very high	94.8	Very high	20 Å²	20	22.4 Å²	22.4	10%	0.103	12%	0.121	C	C	.	.			trans	-128	87.6	168.1	-61.7	174.8	0	0	0	107	D173 T185 R186 A241	D173-I183 VanDerWaalsContact OD1-CA 3.23Å; D173-I183 WeakPolarHBondContact OD1-CA 3.48Å; I183-T185 VanDerWaalsContact C-N 3.26Å; I183-T185 PolarHBondContact O-N 2.94Å; I183-R186 VanDerWaalsContact CD1-CZ 3.49Å; I183-R186 HydrophobicContact CG2-CG 4.01Å; I183-R186 WeakPolarHBondContact O-CB 3.37Å; I183-R186 PolarHBondContact O-N 3.38Å; I183-R186 VanDerWaalsContact O-N 3.17Å; I183-A241 PolarHBondContact N-O 3.17Å; I183-A241 WeakPolarHBondContact O-CA 3.4Å; I183-A241 WeakPolarHBondContact O-CB 3.23Å
184	M	95.2	Very high	94.9	Very high	7 Å²	7	19.3 Å²	19.3	3%	0.034	11%	0.105	C	C	.	.	G	3₁₀ helix	trans	-76.6	-17.7	-162.2	-62.8	-52.8	-105.9	0	0	112.9	V171 D173 T182 R186 C187 I217 L242	V171-M184 HydrophobicContact CB-CB 4.19Å; V171-M184 HydrophobicContact CG1-CB 3.79Å; D173-M184 PolarHBondContact OD1-N 3.03Å; T182-M184 HydrophobicContact CG2-SD 4.45Å; M184-R186 PolarHBondContact O-N 2.87Å; M184-C187 WeakPolarHBondContact O-CB 3.35Å; M184-C187 PolarHBondContact O-N 3.44Å; M184-I217 VanDerWaalsContact CE-C 3.47Å; M184-I217 HydrophobicContact CE-CB 3.93Å; M184-I217 HydrophobicContact CE-CG2 3.96Å; M184-I217 WeakPolarHBondContact CE-O 3.31Å; M184-L242 HydrophobicContact SD-CD2 4.26Å
185	T	95.5	Very high	95.1	Very high	30 Å²	30	18.8 Å²	18.8	18%	0.184	10%	0.102	C	C	.	.	G	3₁₀ helix	trans	-58.3	-30.2	170.7	-59.2	0	0	0	0	111.9	P132 V171 I183 C187	P132-T185 HydrophobicContact CB-CG2 3.96Å; P132-T185 VanDerWaalsContact CD-O 3.25Å; P132-T185 WeakPolarHBondContact CD-O 3.16Å; P132-T185 HydrophobicContact CG-CG2 3.87Å; V171-T185 PolarHBondContact N-OG1 3.46Å; V171-T185 PolarHBondContact O-OG1 2.96Å; I183-T185 VanDerWaalsContact C-N 3.26Å; I183-T185 PolarHBondContact O-N 2.94Å; T185-C187 VanDerWaalsContact C-N 3.3Å; T185-C187 PolarHBondContact O-N 3.23Å
186	R	96.4	Very high	95.4	Very high	7 Å²	7	13.7 Å²	13.7	3%	0.026	8%	0.075	C	C	.	.	G	3₁₀ helix	trans	-77.7	-12.9	177.4	-62.6	167.1	-172.7	174.9	2.2	113.4	H131 P132 D134 I183 M184 I188 G240 A241	H131-R186 PolarHBondContact CE1-O 3.37Å; H131-R186 PolarHBondContact ND1-O 2.99Å; P132-R186 HydrophobicContact CG-CB 4.34Å; P132-R186 HydrophobicContact CG-CG 3.59Å; D134-R186 IonicContact OD2-CZ 2.75Å; D134-R186 VanDerWaalsContact OD2-CZ 3.3Å; D134-R186 IonicContact OD2-NE 3.23Å; D134-R186 PolarHBondContact OD2-NE 2.82Å; D134-R186 IonicContact OD2-NH2 2.77Å; D134-R186 PolarHBondContact OD2-NH2 3.05Å; I183-R186 VanDerWaalsContact CD1-CZ 3.49Å; I183-R186 HydrophobicContact CG2-CG 4.01Å; I183-R186 WeakPolarHBondContact O-CB 3.37Å; I183-R186 PolarHBondContact O-N 3.38Å; I183-R186 VanDerWaalsContact O-N 3.17Å; M184-R186 PolarHBondContact O-N 2.87Å; R186-I188 PolarHBondContact O-N 3.35Å; R186-G240 WeakPolarHBondContact CD-O 3.29Å; R186-G240 PolarHBondContact NH1-O 3.13Å; R186-G240 VanDerWaalsContact NH1-O 3.14Å; R186-A241 HydrophobicContact CB-CB 3.99Å
187	C	96.6	Very high	95.5	Very high	10 Å²	10	13.6 Å²	13.6	7%	0.068	7%	0.074	C	C	.	.			trans	-68.8	127.7	-172.5	-171.2	0	0	0	0	112.1	M184 T185 H189 A241	M184-C187 WeakPolarHBondContact O-CB 3.35Å; M184-C187 PolarHBondContact O-N 3.44Å; T185-C187 VanDerWaalsContact C-N 3.3Å; T185-C187 PolarHBondContact O-N 3.23Å; C187-H189 VanDerWaalsContact C-N 3.33Å; C187-H189 PolarHBondContact O-CE1 3.12Å; C187-H189 PolarHBondContact O-ND1 3.5Å; C187-H189 PolarHBondContact SG-N 3.43Å; C187-H189 VanDerWaalsContact SG-N 3.4Å; C187-A241 HydrophobicContact CB-CB 4.01Å
188	I	95.5	Very high	95.6	Very high	21 Å²	21	16 Å²	16	11%	0.108	9%	0.085	C	C	.	.			trans	-90.7	8.2	175.7	59.3	163.2	0	0	0	113.9	Y70 L127 L146 R186 C190 P238 V239	Y70-I188 HydrophobicContact CD1-CD1 3.96Å; Y70-I188 HydrophobicContact CD2-CD1 4.46Å; Y70-I188 HydrophobicContact CG-CD1 3.83Å; L127-I188 HydrophobicContact CD2-CB 4Å; L127-I188 HydrophobicContact CD2-CG2 4.23Å; L146-I188 HydrophobicContact CD2-CG2 4.05Å; R186-I188 PolarHBondContact O-N 3.35Å; I188-C190 VanDerWaalsContact C-N 3.26Å; I188-C190 HydrophobicContact CD1-CB 4.13Å; I188-C190 HydrophobicContact CG1-CB 4.08Å; I188-C190 PolarHBondContact O-N 3.2Å; I188-P238 HydrophobicContact CD1-CG 3.89Å; I188-P238 HydrophobicContact CG1-CG 4.34Å; I188-V239 HydrophobicContact CD1-CG1 4.24Å; I188-V239 HydrophobicContact CG1-CG1 4.14Å; I188-V239 HydrophobicContact CG1-CG2 4.44Å; I188-V239 HydrophobicContact CG2-CG1 4.03Å
189	H	94.7	Very high	95.6	Very high	20 Å²	20	16.3 Å²	16.3	9%	0.093	8%	0.084	C	C	.	.			trans	59.5	34.3	175.8	-54.1	66.6	0	0	0	113.7	R169 C187 T191 M215	R169-H189 PolarHBondContact NH1-CE1 3.29Å; R169-H189 PolarHBondContact NH1-NE2 2.85Å; R169-H189 PolarHBondContact NH2-CE1 2.73Å; R169-H189 PolarHBondContact NH2-ND1 2.91Å; C187-H189 VanDerWaalsContact C-N 3.33Å; C187-H189 PolarHBondContact O-CE1 3.12Å; C187-H189 PolarHBondContact O-ND1 3.5Å; C187-H189 PolarHBondContact SG-N 3.43Å; C187-H189 VanDerWaalsContact SG-N 3.4Å; H189-T191 PolarHBondContact O-N 3.44Å; H189-M215 HydrophobicContact CB-CE 3.66Å; H189-M215 PolarHBondContact CD2-O 2.92Å; H189-M215 PolarHBondContact NE2-O 2.8Å
190	C	95.6	Very high	95.7	Very high	5 Å²	5	17 Å²	17	3%	0.034	9%	0.088	C	C	.	.			trans	-74.7	-9.1	180	65.7	0	0	0	0	114.1	C71 I188 R192	C71-C190 HydrophobicContact CB-CB 4.11Å; C71-C190 VanDerWaalsContact CB-O 3.25Å; C71-C190 WeakPolarHBondContact CB-O 3.14Å; I188-C190 VanDerWaalsContact C-N 3.26Å; I188-C190 HydrophobicContact CD1-CB 4.13Å; I188-C190 HydrophobicContact CG1-CB 4.08Å; I188-C190 PolarHBondContact O-N 3.2Å; C190-R192 PolarHBondContact O-N 3.28Å; C190-R192 VanDerWaalsContact O-N 3.08Å
191	T	96	Very high	95.6	Very high	16 Å²	16	17 Å²	17	10%	0.098	9%	0.088	C	C	.	.			trans	52.5	24.2	-179.6	70.1	0	0	0	0	115.4	N81 H189 R195 T208 I217	N81-T191 PolarHBondContact ND2-OG1 3.49Å; H189-T191 PolarHBondContact O-N 3.44Å; T191-R195 PolarHBondContact O-N 2.79Å; T191-R195 PolarHBondContact O-NE 2.91Å; T191-T208 HydrophobicContact CG2-CG2 4.03Å; T191-I217 HydrophobicContact CG2-CD1 4.32Å
192	R	96.3	Very high	95.5	Very high	12 Å²	12	15.6 Å²	15.6	5%	0.045	9%	0.086	C	C	.	.	H	α-helix	trans	-62.3	-49.8	171.6	-77.3	-171.4	-170.8	156	9.2	111.4	R69 Y70 C71 Y72 L76 D145 C190 V194 R195 F196 L236	R69-R192 PolarHBondContact O-NH2 3.41Å; Y70-R192 VanDerWaalsContact C-NH2 3.27Å; Y70-R192 VanDerWaalsContact CA-NH2 3.33Å; Y70-R192 PolarHBondContact O-NE 3.32Å; Y70-R192 PolarHBondContact O-NH2 2.75Å; C71-R192 WeakPolarHBondContact O-CG 3.39Å; Y72-R192 PolarHBondContact O-NE 2.67Å; L76-R192 HydrophobicContact CD1-CB 4.45Å; D145-R192 IonicContact OD2-CZ 2.67Å; D145-R192 IonicContact OD2-NH1 3.72Å; D145-R192 PolarHBondContact OD2-NH1 2.79Å; D145-R192 IonicContact OD2-NH2 3.7Å; C190-R192 PolarHBondContact O-N 3.28Å; C190-R192 VanDerWaalsContact O-N 3.08Å; R192-V194 PolarHBondContact O-N 3.22Å; R192-R195 PolarHBondContact O-N 2.86Å; R192-F196 PolarHBondContact O-N 3.02Å; R192-L236 WeakPolarHBondContact CD-O 3.41Å; R192-L236 PolarHBondContact NH1-O 3.3Å
193	C	96.1	Very high	95.3	Very high	8 Å²	8	15.6 Å²	15.6	5%	0.054	9%	0.085	C	C	.	.	H	α-helix	trans	-61.7	-39.7	-180	47.9	0	0	0	0	113.2	F196 A197 F206 V233 L242	C193-F196 PolarHBondContact O-N 3.15Å; C193-A197 VanDerWaalsContact O-CB 3.3Å; C193-A197 WeakPolarHBondContact O-CB 3.02Å; C193-A197 PolarHBondContact O-N 3.35Å; C193-F206 HydrophobicContact CB-CE1 3.83Å; C193-F206 HydrophobicContact CB-CZ 4.47Å; C193-V233 HydrophobicContact CB-CB 4.43Å; C193-V233 HydrophobicContact CB-CG1 4.48Å; C193-L242 HydrophobicContact CB-CD1 3.62Å
194	V	96.2	Very high	95.1	Very high	17 Å²	17	21.7 Å²	21.7	10%	0.103	11%	0.113	C	C	.	.	H	α-helix	trans	-63.7	-45.6	176	174.5	0	0	0	0	111.4	R192 A197 N198 F206 I217	R192-V194 PolarHBondContact O-N 3.22Å; V194-A197 PolarHBondContact O-N 3.13Å; V194-N198 VanDerWaalsContact O-CG 3.31Å; V194-N198 PolarHBondContact O-N 3.49Å; V194-F206 HydrophobicContact CG2-CD1 3.92Å; V194-F206 HydrophobicContact CG2-CE1 4.04Å; V194-I217 HydrophobicContact CG2-CG2 3.95Å
195	R	95.6	Very high	94.8	Very high	19 Å²	19	25.6 Å²	25.6	7%	0.072	13%	0.132	C	C	.	.	H	α-helix	trans	-63.6	-43.3	175.3	-79.9	178.7	-71.4	131.4	3.6	112	C71 L76 S77 T191 R192 A197 N198 E199	C71-R195 PolarHBondContact O-NH1 3.27Å; C71-R195 PolarHBondContact O-NH2 3.34Å; L76-R195 HydrophobicContact CD1-CB 4.4Å; S77-R195 PolarHBondContact O-NH1 3.45Å; S77-R195 WeakPolarHBondContact OG-CD 3.32Å; T191-R195 PolarHBondContact O-N 2.79Å; T191-R195 PolarHBondContact O-NE 2.91Å; R192-R195 PolarHBondContact O-N 2.86Å; R195-A197 PolarHBondContact O-N 3.03Å; R195-N198 PolarHBondContact O-N 3.05Å; R195-E199 WeakPolarHBondContact CG-OE1 3.36Å; R195-E199 WeakPolarHBondContact O-CB 3.39Å; R195-E199 WeakPolarHBondContact O-CG 3.41Å; R195-E199 PolarHBondContact O-N 2.8Å
196	F	96.8	Very high	94.7	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-61.3	-45.2	175.9	176.6	-93.5	0	0	0	112.5	L76 R192 C193 N198 I200 A201 L229 N232 V233 L236 W296	L76-F196 HydrophobicContact CD1-CB 4.23Å; L76-F196 HydrophobicContact CD2-CB 4.03Å; L76-F196 HydrophobicContact CD2-CD2 4.28Å; R192-F196 PolarHBondContact O-N 3.02Å; C193-F196 PolarHBondContact O-N 3.15Å; F196-N198 VanDerWaalsContact C-N 3.31Å; F196-N198 PolarHBondContact O-N 2.8Å; F196-I200 HydrophobicContact CD2-CB 3.79Å; F196-I200 HydrophobicContact CD2-CD1 3.86Å; F196-I200 HydrophobicContact CD2-CG1 4.17Å; F196-I200 HydrophobicContact CD2-CG2 4.21Å; F196-I200 HydrophobicContact CE2-CB 3.73Å; F196-I200 HydrophobicContact CE2-CD1 4.07Å; F196-I200 HydrophobicContact CE2-CG1 4.42Å; F196-I200 HydrophobicContact CE2-CG2 3.63Å; F196-I200 HydrophobicContact CG-CB 4.49Å; F196-I200 HydrophobicContact CZ-CB 4.37Å; F196-I200 HydrophobicContact CZ-CG2 4.13Å; F196-I200 PolarHBondContact O-N 3.28Å; F196-A201 HydrophobicContact CD1-CB 4.32Å; F196-A201 HydrophobicContact CE1-CB 3.93Å; F196-A201 PolarHBondContact O-N 3.02Å; F196-L229 WeakPolarHBondContact CE1-O 3.36Å; F196-L229 HydrophobicContact CZ-CB 4.36Å; F196-N232 HydrophobicContact CE1-CB 4.05Å; F196-N232 HydrophobicContact CE2-CB 4.07Å; F196-N232 HydrophobicContact CZ-CB 3.51Å; F196-V233 HydrophobicContact CD1-CG1 3.55Å; F196-V233 HydrophobicContact CE1-CG1 3.98Å; F196-L236 HydrophobicContact CB-CD1 3.39Å; F196-L236 HydrophobicContact CD1-CD1 3.95Å; F196-L236 HydrophobicContact CD2-CD1 3.2Å; F196-L236 HydrophobicContact CE2-CD1 3.92Å; F196-L236 HydrophobicContact CG-CD1 3.21Å; F196-W296 HydrophobicContact CD2-CE3 4.49Å; F196-W296 AromaticContact CD2-CH2 3.94Å; F196-W296 HydrophobicContact CD2-CH2 3.94Å; F196-W296 HydrophobicContact CD2-CZ2 4.17Å; F196-W296 HydrophobicContact CD2-CZ3 4.12Å; F196-W296 AromaticContact CE2-CD2 3.88Å; F196-W296 HydrophobicContact CE2-CD2 3.88Å; F196-W296 AromaticContact CE2-CE3 3.75Å; F196-W296 HydrophobicContact CE2-CE3 3.75Å; F196-W296 AromaticContact CE2-CH2 3.98Å; F196-W296 HydrophobicContact CE2-CH2 3.98Å; F196-W296 HydrophobicContact CE2-CZ2 4.09Å; F196-W296 AromaticContact CE2-CZ3 3.81Å; F196-W296 HydrophobicContact CE2-CZ3 3.81Å; F196-W296 HydrophobicContact CZ-CE3 4.48Å
197	A	95.8	Very high	94.6	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.132	C	C	.	.	I	π-helix	trans	-57.8	-46.4	178	0	0	0	0	0	110.8	C193 V194 R195 A201 G202 F203 F206 F225	C193-A197 VanDerWaalsContact O-CB 3.3Å; C193-A197 WeakPolarHBondContact O-CB 3.02Å; C193-A197 PolarHBondContact O-N 3.35Å; V194-A197 PolarHBondContact O-N 3.13Å; R195-A197 PolarHBondContact O-N 3.03Å; A197-A201 CarbonylContact O-C 3.51Å; A197-G202 CarbonylContact O-C 3.6Å; A197-G202 WeakPolarHBondContact O-CA 3.5Å; A197-G202 PolarHBondContact O-N 2.81Å; A197-F203 CarbonylContact C-O 3.47Å; A197-F203 WeakPolarHBondContact CB-O 3.42Å; A197-F203 PolarHBondContact O-N 3.18Å; A197-F206 HydrophobicContact CB-CB 3.79Å; A197-F206 HydrophobicContact CB-CD1 4.18Å; A197-F206 HydrophobicContact CB-CG 4.28Å; A197-F225 HydrophobicContact CB-CE1 4.15Å; A197-F225 HydrophobicContact CB-CZ 3.7Å
198	N	94.5	Very high	94.5	Very high	60 Å²	60	27.9 Å²	27.9	32%	0.321	15%	0.15	S	C	.	.	I	π-helix	trans	-75.9	-44.3	-178.2	-65.8	-8.3	0	0	0	113.5	V194 R195 F196 F203 Q204 R430	V194-N198 VanDerWaalsContact O-CG 3.31Å; V194-N198 PolarHBondContact O-N 3.49Å; R195-N198 PolarHBondContact O-N 3.05Å; F196-N198 VanDerWaalsContact C-N 3.31Å; F196-N198 PolarHBondContact O-N 2.8Å; N198-F203 PolarHBondContact OD1-O 2.81Å; N198-Q204 WeakPolarHBondContact OD1-CA 3.31Å; N198-R430 PolarHBondContact O-NH2 3.4Å
199	E	94.4	Very high	94.5	Very high	31 Å²	31	28.6 Å²	28.6	15%	0.145	16%	0.155	C	C	.	.	I	π-helix	trans	-85.3	-43.1	-171	-66.1	165.6	-155.6	0	0	112.3	S77 R195 R430 I434	S77-E199 WeakPolarHBondContact CB-OE1 3.43Å; S77-E199 PolarHBondContact N-OE2 2.96Å; S77-E199 PolarHBondContact OG-OE1 2.94Å; R195-E199 WeakPolarHBondContact CG-OE1 3.36Å; R195-E199 WeakPolarHBondContact O-CB 3.39Å; R195-E199 WeakPolarHBondContact O-CG 3.41Å; R195-E199 PolarHBondContact O-N 2.8Å; E199-R430 VanDerWaalsContact O-CD 3.24Å; E199-R430 WeakPolarHBondContact O-CD 3.24Å; E199-R430 PolarHBondContact O-NE 2.87Å; E199-I434 HydrophobicContact CB-CD1 4.33Å; E199-I434 WeakPolarHBondContact O-CD1 3.44Å
200	I	95.3	Very high	94.5	Very high	18 Å²	18	30.7 Å²	30.7	9%	0.092	18%	0.182	C	C	.	.	I	π-helix	trans	-106.7	-49.6	-170.7	-57.7	-172.1	0	0	0	111.8	L76 F196 G202 W296 A427 R430	L76-I200 HydrophobicContact CD2-CD1 3.62Å; L76-I200 HydrophobicContact CD2-CG1 4.05Å; F196-I200 HydrophobicContact CD2-CB 3.79Å; F196-I200 HydrophobicContact CD2-CD1 3.86Å; F196-I200 HydrophobicContact CD2-CG1 4.17Å; F196-I200 HydrophobicContact CD2-CG2 4.21Å; F196-I200 HydrophobicContact CE2-CB 3.73Å; F196-I200 HydrophobicContact CE2-CD1 4.07Å; F196-I200 HydrophobicContact CE2-CG1 4.42Å; F196-I200 HydrophobicContact CE2-CG2 3.63Å; F196-I200 HydrophobicContact CG-CB 4.49Å; F196-I200 HydrophobicContact CZ-CB 4.37Å; F196-I200 HydrophobicContact CZ-CG2 4.13Å; F196-I200 PolarHBondContact O-N 3.28Å; I200-G202 VanDerWaalsContact C-N 3.31Å; I200-W296 HydrophobicContact CD1-CH2 4.37Å; I200-W296 HydrophobicContact CD1-CZ2 3.38Å; I200-A427 HydrophobicContact CG2-CB 4.06Å; I200-R430 WeakPolarHBondContact O-CD 3.43Å
201	A	94.2	Very high	94.4	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.008	22%	0.22	C	C	.	.	I	π-helix	trans	-77.5	-20.4	179.7	0	0	0	0	0	112.9	F196 A197 F203 F225	F196-A201 HydrophobicContact CD1-CB 4.32Å; F196-A201 HydrophobicContact CE1-CB 3.93Å; F196-A201 PolarHBondContact O-N 3.02Å; A197-A201 CarbonylContact O-C 3.51Å; A201-F203 VanDerWaalsContact C-N 3.27Å; A201-F203 PolarHBondContact O-N 2.83Å; A201-F225 HydrophobicContact CB-CE2 4.36Å
202	G	92.4	Very high	94.2	Very high	16 Å²	16	42.9 Å²	42.9	17%	0.165	25%	0.245	C	C	.	.			trans	64.4	24.4	-177.3	0	0	0	0	0	115.8	A197 I200	A197-G202 CarbonylContact O-C 3.6Å; A197-G202 WeakPolarHBondContact O-CA 3.5Å; A197-G202 PolarHBondContact O-N 2.81Å; I200-G202 VanDerWaalsContact C-N 3.31Å
203	F	92.5	Very high	93.7	Very high	9 Å²	9	45 Å²	45	4%	0.039	27%	0.27	C	S	.	.			trans	-100	99.9	175.9	-174.4	-101.7	0	0	0	109.9	A197 N198 A201 E205 F206 T219 L223 F224 F225 A226	A197-F203 CarbonylContact C-O 3.47Å; A197-F203 WeakPolarHBondContact CB-O 3.42Å; A197-F203 PolarHBondContact O-N 3.18Å; N198-F203 PolarHBondContact OD1-O 2.81Å; A201-F203 VanDerWaalsContact C-N 3.27Å; A201-F203 PolarHBondContact O-N 2.83Å; F203-E205 HydrophobicContact CD1-CB 4.49Å; F203-E205 WeakPolarHBondContact CD2-OE2 3.49Å; F203-E205 HydrophobicContact CE1-CB 3.84Å; F203-E205 HydrophobicContact CE2-CB 4.46Å; F203-E205 WeakPolarHBondContact CE2-OE2 3.23Å; F203-E205 HydrophobicContact CZ-CB 3.83Å; F203-E205 HydrophobicContact CZ-CG 4.35Å; F203-F206 HydrophobicContact CD1-CB 3.86Å; F203-F206 HydrophobicContact CE1-CB 4.08Å; F203-T219 HydrophobicContact CE1-CG2 4.23Å; F203-L223 HydrophobicContact CZ-CD2 3.89Å; F203-L223 HydrophobicContact CZ-CG 4.45Å; F203-F224 WeakPolarHBondContact CZ-O 3.37Å; F203-F225 HydrophobicContact CB-CD2 4.41Å; F203-F225 HydrophobicContact CB-CE2 3.85Å; F203-F225 HydrophobicContact CB-CZ 4.39Å; F203-F225 HydrophobicContact CD1-CD1 4.39Å; F203-F225 AromaticContact CD1-CD2 3.9Å; F203-F225 HydrophobicContact CD1-CD2 3.9Å; F203-F225 HydrophobicContact CD1-CE1 4.38Å; F203-F225 AromaticContact CD1-CE2 3.88Å; F203-F225 HydrophobicContact CD1-CE2 3.88Å; F203-F225 HydrophobicContact CD1-CG 4.16Å; F203-F225 HydrophobicContact CD1-CZ 4.14Å; F203-F225 HydrophobicContact CE1-CD2 4.32Å; F203-F225 HydrophobicContact CE1-CG 4.22Å; F203-F225 HydrophobicContact CG-CD2 4.09Å; F203-F225 AromaticContact CG-CE2 3.98Å; F203-F225 HydrophobicContact CG-CE2 3.98Å; F203-A226 HydrophobicContact CE2-CB 4.35Å
204	Q	90.9	Very high	93.4	Very high	148 Å²	148	48.9 Å²	48.9	69%	0.692	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82	-12.9	-169.2	-62.5	-175.3	4.4	0	0	114	N198 F206	N198-Q204 WeakPolarHBondContact OD1-CA 3.31Å; Q204-F206 PolarHBondContact O-N 2.74Å
205	E	90.7	Very high	93.3	Very high	90 Å²	90	50.5 Å²	50.5	42%	0.421	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-13	-176.4	-58.8	92.3	148.8	0	0	113.1	F203 L223	F203-E205 HydrophobicContact CD1-CB 4.49Å; F203-E205 WeakPolarHBondContact CD2-OE2 3.49Å; F203-E205 HydrophobicContact CE1-CB 3.84Å; F203-E205 HydrophobicContact CE2-CB 4.46Å; F203-E205 WeakPolarHBondContact CE2-OE2 3.23Å; F203-E205 HydrophobicContact CZ-CB 3.83Å; F203-E205 HydrophobicContact CZ-CG 4.35Å; E205-L223 HydrophobicContact CB-CD2 3.79Å; E205-L223 HydrophobicContact CG-CD2 3.8Å
206	F	92.7	Very high	93.2	Very high	1 Å²	1	52.6 Å²	52.6	0%	0.004	32%	0.315	C	S	.	.			trans	-89.6	107.2	179.4	-164	-89.6	0	0	0	110.9	I176 C193 V194 A197 F203 Q204 I217 T219 F225	I176-F206 HydrophobicContact CD1-CE2 4.14Å; I176-F206 HydrophobicContact CG2-CE2 4.38Å; C193-F206 HydrophobicContact CB-CE1 3.83Å; C193-F206 HydrophobicContact CB-CZ 4.47Å; V194-F206 HydrophobicContact CG2-CD1 3.92Å; V194-F206 HydrophobicContact CG2-CE1 4.04Å; A197-F206 HydrophobicContact CB-CB 3.79Å; A197-F206 HydrophobicContact CB-CD1 4.18Å; A197-F206 HydrophobicContact CB-CG 4.28Å; F203-F206 HydrophobicContact CD1-CB 3.86Å; F203-F206 HydrophobicContact CE1-CB 4.08Å; Q204-F206 PolarHBondContact O-N 2.74Å; F206-I217 HydrophobicContact CE1-CG2 3.56Å; F206-I217 HydrophobicContact CZ-CG2 3.8Å; F206-T219 HydrophobicContact CD2-CG2 4.26Å; F206-F225 HydrophobicContact CB-CE1 4.23Å; F206-F225 HydrophobicContact CD1-CE1 4.47Å; F206-F225 AromaticContact CD2-CD1 3.78Å; F206-F225 HydrophobicContact CD2-CD1 3.78Å; F206-F225 AromaticContact CD2-CE1 3.84Å; F206-F225 HydrophobicContact CD2-CE1 3.84Å; F206-F225 HydrophobicContact CE2-CD1 4.19Å; F206-F225 HydrophobicContact CE2-CE1 4.3Å; F206-F225 HydrophobicContact CG-CD1 4.32Å; F206-F225 AromaticContact CG-CE1 3.93Å; F206-F225 HydrophobicContact CG-CE1 3.93Å
207	G	94.6	Very high	93.1	Very high	20 Å²	20	52.8 Å²	52.8	21%	0.206	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	-162.4	-169.2	0	0	0	0	0	115.1	I217 G218	G207-I217 WeakPolarHBondContact O-CA 3.49Å; G207-G218 PolarHBondContact N-O 2.9Å; G207-G218 VanDerWaalsContact N-O 3.12Å; G207-G218 PolarHBondContact O-N 2.79Å; G207-G218 VanDerWaalsContact O-O 3.13Å
208	T	94.8	Very high	93	Very high	73 Å²	73	52.8 Å²	52.8	45%	0.448	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	128.9	172.2	52.3	0	0	0	0	110	T191 M215 Q216 I217	T191-T208 HydrophobicContact CG2-CG2 4.03Å; T208-M215 HydrophobicContact CG2-SD 4.25Å; T208-Q216 WeakPolarHBondContact CA-O 3.19Å; T208-I217 HydrophobicContact CG2-CG1 4.18Å
209	T	94.9	Very high	92.9	Very high	36 Å²	36	50.3 Å²	50.3	22%	0.221	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	140.6	175.7	56	0	0	0	0	109.8	M215 Q216 Y220	T209-M215 CarbonylContact O-C 3.31Å; T209-M215 WeakPolarHBondContact O-CA 3.36Å; T209-Q216 PolarHBondContact N-O 3.03Å; T209-Q216 PolarHBondContact O-N 3.39Å; T209-Q216 PolarHBondContact OG1-O 3.07Å; T209-Y220 HydrophobicContact CG2-CD2 3.9Å; T209-Y220 HydrophobicContact CG2-CG 4.42Å
210	G	93.5	Very high	92.7	Very high	64 Å²	64	58.3 Å²	58.3	66%	0.66	33%	0.333	S	S	*	.	S	Bend	trans	82.6	-169.4	-177.6	0	0	0	0	0	113.8
211	R	93.9	Very high	92.5	Very high	217 Å²	217	62.2 Å²	62.2	82%	0.819	35%	0.353	S	S	*	.			trans	-151.3	155.8	-176.8	64.9	-179	-178.2	-179.9	0.1	112	S214	R211-S214 PolarHBondContact O-OG 3.06Å; R211-S214 VanDerWaalsContact O-OG 3.08Å
212	G	91.7	Very high	92.1	Very high	61 Å²	61	67.4 Å²	67.4	63%	0.629	39%	0.387	S	S	*	.	G	3₁₀ helix	trans	65.8	-144.2	178.5	0	0	0	0	0	112.7	S214 M215	G212-S214 PolarHBondContact O-N 2.9Å; G212-M215 VanDerWaalsContact O-CB 3.3Å; G212-M215 WeakPolarHBondContact O-CB 3.35Å; G212-M215 PolarHBondContact O-N 3.32Å; G212-M215 VanDerWaalsContact O-N 3.16Å
213	G	86	Confident	92	Very high	55 Å²	55	67.7 Å²	67.7	57%	0.567	39%	0.385	S	S	*	.	G	3₁₀ helix	trans	-64.9	-20.4	179.7	0	0	0	0	0	114.7	R169	R169-G213 WeakPolarHBondContact CD-O 3.2Å; R169-G213 PolarHBondContact NH1-O 2.78Å
214	S	89.3	Confident	91.9	Very high	90 Å²	90	68.3 Å²	68.3	63%	0.629	39%	0.388	S	S	*	.	G	3₁₀ helix	trans	-95.9	7.1	176.6	60.2	0	0	0	0	113.7	R211 G212	R211-S214 PolarHBondContact O-OG 3.06Å; R211-S214 VanDerWaalsContact O-OG 3.08Å; G212-S214 PolarHBondContact O-N 2.9Å
215	M	94	Very high	92	Very high	51 Å²	51	61.4 Å²	61.4	25%	0.251	36%	0.355	S	S	.	.			trans	-59.6	139.8	168.3	-178.8	177.6	52.3	0	0	109.5	H189 T208 T209 G212	H189-M215 HydrophobicContact CB-CE 3.66Å; H189-M215 PolarHBondContact CD2-O 2.92Å; H189-M215 PolarHBondContact NE2-O 2.8Å; T208-M215 HydrophobicContact CG2-SD 4.25Å; T209-M215 CarbonylContact O-C 3.31Å; T209-M215 WeakPolarHBondContact O-CA 3.36Å; G212-M215 VanDerWaalsContact O-CB 3.3Å; G212-M215 WeakPolarHBondContact O-CB 3.35Å; G212-M215 PolarHBondContact O-N 3.32Å; G212-M215 VanDerWaalsContact O-N 3.16Å
216	Q	94.4	Very high	92	Very high	64 Å²	64	57.3 Å²	57.3	30%	0.299	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	142.8	178	-59.5	178.2	-5.3	0	0	109.7	V171 T208 T209	V171-Q216 HydrophobicContact CG1-CB 4.48Å; V171-Q216 HydrophobicContact CG1-CG 3.82Å; T208-Q216 WeakPolarHBondContact CA-O 3.19Å; T209-Q216 PolarHBondContact N-O 3.03Å; T209-Q216 PolarHBondContact O-N 3.39Å; T209-Q216 PolarHBondContact OG1-O 3.07Å
217	I	95	Very high	92.1	Very high	3 Å²	3	57.3 Å²	57.3	2%	0.015	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	149.5	169.5	-68.1	-172.5	0	0	0	109	K174 M184 T191 V194 F206 G207 T208	K174-I217 WeakPolarHBondContact CD-O 3.36Å; K174-I217 WeakPolarHBondContact CE-O 3.44Å; K174-I217 PolarHBondContact NZ-O 2.86Å; M184-I217 VanDerWaalsContact CE-C 3.47Å; M184-I217 HydrophobicContact CE-CB 3.93Å; M184-I217 HydrophobicContact CE-CG2 3.96Å; M184-I217 WeakPolarHBondContact CE-O 3.31Å; T191-I217 HydrophobicContact CG2-CD1 4.32Å; V194-I217 HydrophobicContact CG2-CG2 3.95Å; F206-I217 HydrophobicContact CE1-CG2 3.56Å; F206-I217 HydrophobicContact CZ-CG2 3.8Å; G207-I217 WeakPolarHBondContact O-CA 3.49Å; T208-I217 HydrophobicContact CG2-CG1 4.18Å
218	G	93	Very high	92.1	Very high	1 Å²	1	56.4 Å²	56.4	1%	0.01	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	133.6	-168.7	171.9	0	0	0	0	0	112.4	G207	G207-G218 PolarHBondContact N-O 2.9Å; G207-G218 VanDerWaalsContact N-O 3.12Å; G207-G218 PolarHBondContact O-N 2.79Å; G207-G218 VanDerWaalsContact O-O 3.13Å
219	T	92.4	Very high	92.1	Very high	8 Å²	8	53 Å²	53	5%	0.049	31%	0.306	C	S	.	.			trans	-78.6	144.5	171.5	47.2	0	0	0	0	109.5	F203 F206 I221 L223	F203-T219 HydrophobicContact CE1-CG2 4.23Å; F206-T219 HydrophobicContact CD2-CG2 4.26Å; T219-I221 WeakPolarHBondContact CB-O 3.47Å; T219-I221 PolarHBondContact OG1-O 2.83Å; T219-I221 VanDerWaalsContact OG1-O 3.04Å; T219-L223 HydrophobicContact CG2-CB 4.13Å
220	Y	91.2	Very high	92.1	Very high	198 Å²	198	51.3 Å²	51.3	78%	0.776	30%	0.296	S	S	*	.	S	Bend	trans	-72.5	-39.7	177.9	176.3	-107.7	0	0	0	111.4	T209	T209-Y220 HydrophobicContact CG2-CD2 3.9Å; T209-Y220 HydrophobicContact CG2-CG 4.42Å
221	I	90	Very high	92.2	Very high	100 Å²	100	48.3 Å²	48.3	51%	0.513	27%	0.265	S	S	.	.	S	Bend	trans	-101.6	154.3	171.2	52.3	167.5	0	0	0	109.8	T219 L223	T219-I221 WeakPolarHBondContact CB-O 3.47Å; T219-I221 PolarHBondContact OG1-O 2.83Å; T219-I221 VanDerWaalsContact OG1-O 3.04Å; I221-L223 VanDerWaalsContact C-N 3.29Å; I221-L223 HydrophobicContact CD1-CD1 4.46Å; I221-L223 HydrophobicContact CG1-CB 4.25Å; I221-L223 PolarHBondContact O-N 2.91Å
222	P	87	Confident	92.3	Very high	110 Å²	110	38 Å²	38	71%	0.714	23%	0.226	S	C	*	.	S	Bend	trans	-66.3	90.2	174.5	27.8	-34.6	0	0	0	110.1
223	L	89.8	Confident	92.6	Very high	23 Å²	23	35 Å²	35	12%	0.12	20%	0.196	C	C	.	.			trans	-120.9	134.1	-175.2	-166.5	68.1	0	0	0	109.5	F203 E205 T219 I221 Y728	F203-L223 HydrophobicContact CZ-CD2 3.89Å; F203-L223 HydrophobicContact CZ-CG 4.45Å; E205-L223 HydrophobicContact CB-CD2 3.79Å; E205-L223 HydrophobicContact CG-CD2 3.8Å; T219-L223 HydrophobicContact CG2-CB 4.13Å; I221-L223 VanDerWaalsContact C-N 3.29Å; I221-L223 HydrophobicContact CD1-CD1 4.46Å; I221-L223 HydrophobicContact CG1-CB 4.25Å; I221-L223 PolarHBondContact O-N 2.91Å; L223-Y728 HydrophobicContact CD1-CD2 3.94Å; L223-Y728 HydrophobicContact CD1-CE2 3.58Å; L223-Y728 HydrophobicContact CD2-CE2 4.39Å; L223-Y728 HydrophobicContact CG-CD2 4.47Å; L223-Y728 HydrophobicContact CG-CE2 3.95Å
224	F	90.9	Very high	93	Very high	22 Å²	22	33 Å²	33	10%	0.096	17%	0.172	C	C	.	.			trans	-63.6	132.2	171.3	174.5	-129.7	0	0	0	109.6	I176 F203 A226 L702 A724 A725 Y728	I176-F224 WeakPolarHBondContact O-CD2 3.49Å; F203-F224 WeakPolarHBondContact CZ-O 3.37Å; F224-A226 HydrophobicContact CD1-CB 3.82Å; F224-A226 HydrophobicContact CE1-CB 4.08Å; F224-A226 PolarHBondContact O-N 2.91Å; F224-L702 HydrophobicContact CE1-CD2 4.03Å; F224-A724 HydrophobicContact CD2-CB 4.36Å; F224-A724 HydrophobicContact CE1-CB 4.48Å; F224-A724 HydrophobicContact CE2-CB 4.33Å; F224-A724 HydrophobicContact CG-CB 4.5Å; F224-A724 HydrophobicContact CZ-CB 4.38Å; F224-A725 HydrophobicContact CE1-CB 4.33Å; F224-Y728 HydrophobicContact CB-CD2 4.12Å; F224-Y728 HydrophobicContact CD1-CG 4.2Å
225	F	92.3	Very high	93.3	Very high	2 Å²	2	31.5 Å²	31.5	1%	0.009	16%	0.157	C	C	.	.			trans	-71.4	83.8	170.6	-162.8	135.2	0	0	0	108.2	I176 A197 A201 F203 F206 S227 S230 V233	I176-F225 HydrophobicContact CB-CB 4.3Å; I176-F225 HydrophobicContact CD1-CD1 4.39Å; I176-F225 WeakPolarHBondContact O-CB 3.41Å; I176-F225 PolarHBondContact O-N 2.64Å; A197-F225 HydrophobicContact CB-CE1 4.15Å; A197-F225 HydrophobicContact CB-CZ 3.7Å; A201-F225 HydrophobicContact CB-CE2 4.36Å; F203-F225 HydrophobicContact CB-CD2 4.41Å; F203-F225 HydrophobicContact CB-CE2 3.85Å; F203-F225 HydrophobicContact CB-CZ 4.39Å; F203-F225 HydrophobicContact CD1-CD1 4.39Å; F203-F225 AromaticContact CD1-CD2 3.9Å; F203-F225 HydrophobicContact CD1-CD2 3.9Å; F203-F225 HydrophobicContact CD1-CE1 4.38Å; F203-F225 AromaticContact CD1-CE2 3.88Å; F203-F225 HydrophobicContact CD1-CE2 3.88Å; F203-F225 HydrophobicContact CD1-CG 4.16Å; F203-F225 HydrophobicContact CD1-CZ 4.14Å; F203-F225 HydrophobicContact CE1-CD2 4.32Å; F203-F225 HydrophobicContact CE1-CG 4.22Å; F203-F225 HydrophobicContact CG-CD2 4.09Å; F203-F225 AromaticContact CG-CE2 3.98Å; F203-F225 HydrophobicContact CG-CE2 3.98Å; F206-F225 HydrophobicContact CB-CE1 4.23Å; F206-F225 HydrophobicContact CD1-CE1 4.47Å; F206-F225 AromaticContact CD2-CD1 3.78Å; F206-F225 HydrophobicContact CD2-CD1 3.78Å; F206-F225 AromaticContact CD2-CE1 3.84Å; F206-F225 HydrophobicContact CD2-CE1 3.84Å; F206-F225 HydrophobicContact CE2-CD1 4.19Å; F206-F225 HydrophobicContact CE2-CE1 4.3Å; F206-F225 HydrophobicContact CG-CD1 4.32Å; F206-F225 AromaticContact CG-CE1 3.93Å; F206-F225 HydrophobicContact CG-CE1 3.93Å; F225-S227 VanDerWaalsContact C-N 3.33Å; F225-S227 PolarHBondContact O-N 3.03Å; F225-S230 VanDerWaalsContact CD2-CB 3.44Å; F225-V233 HydrophobicContact CE1-CG1 4.15Å; F225-V233 HydrophobicContact CZ-CG1 4.24Å
226	A	91.1	Very high	93.3	Very high	5 Å²	5	29.2 Å²	29.2	4%	0.041	15%	0.145	C	C	.	.			trans	-81.9	74.9	-175.1	0	0	0	0	0	111.3	F203 F224 L702 Y728	F203-A226 HydrophobicContact CE2-CB 4.35Å; F224-A226 HydrophobicContact CD1-CB 3.82Å; F224-A226 HydrophobicContact CE1-CB 4.08Å; F224-A226 PolarHBondContact O-N 2.91Å; A226-L702 HydrophobicContact CB-CD2 3.87Å; A226-Y728 HydrophobicContact CB-CD1 3.67Å; A226-Y728 HydrophobicContact CB-CD2 4.2Å; A226-Y728 HydrophobicContact CB-CE1 3.44Å; A226-Y728 VanDerWaalsContact CB-CE1 3.44Å; A226-Y728 HydrophobicContact CB-CE2 3.99Å; A226-Y728 HydrophobicContact CB-CG 4.06Å
227	S	93.9	Very high	93.4	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.135	C	C	.	.			trans	-140.2	147.3	171.5	174.5	0	0	0	0	110.2	F225 L229 S230 D299	F225-S227 VanDerWaalsContact C-N 3.33Å; F225-S227 PolarHBondContact O-N 3.03Å; S227-L229 PolarHBondContact O-N 2.62Å; S227-L229 PolarHBondContact OG-N 3.05Å; S227-S230 WeakPolarHBondContact O-CB 3.21Å; S227-S230 PolarHBondContact O-N 2.81Å; S227-S230 PolarHBondContact O-OG 3.02Å; S227-D299 VanDerWaalsContact O-OD2 3.05Å
228	E	94.6	Very high	93.5	Very high	2 Å²	2	26.6 Å²	26.6	1%	0.009	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-15.2	174.6	71.4	-71.5	169.5	0	0	113.9	D299 R419 F420 P423 L702 F705	E228-D299 WeakPolarHBondContact O-CB 3.06Å; E228-D299 PolarHBondContact O-N 3.39Å; E228-R419 VanDerWaalsContact CD-CG 3.43Å; E228-R419 HydrophobicContact CG-CG 4.13Å; E228-R419 WeakPolarHBondContact CG-O 3.43Å; E228-R419 WeakPolarHBondContact OE1-CG 3.34Å; E228-R419 IonicContact OE1-NE 2.78Å; E228-R419 IonicContact OE2-CZ 3.69Å; E228-R419 IonicContact OE2-NE 2.75Å; E228-R419 PolarHBondContact OE2-NE 2.73Å; E228-R419 IonicContact OE2-NH2 3.96Å; E228-R419 PolarHBondContact OE2-NH2 3.15Å; E228-F420 HydrophobicContact CB-CD1 4.48Å; E228-P423 HydrophobicContact CB-CB 4.47Å; E228-P423 HydrophobicContact CB-CG 4.41Å; E228-P423 HydrophobicContact CG-CB 3.71Å; E228-P423 HydrophobicContact CG-CG 4.08Å; E228-L702 HydrophobicContact CB-CD1 4.33Å; E228-F705 HydrophobicContact CB-CD1 4.15Å; E228-F705 HydrophobicContact CB-CE1 3.83Å; E228-F705 HydrophobicContact CB-CZ 4.07Å
229	L	96	Very high	93.6	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.4	14.8	178.9	-70.8	170.7	0	0	0	112.3	F196 S227 G231 N232 I297 P423 V424 A427	F196-L229 WeakPolarHBondContact CE1-O 3.36Å; F196-L229 HydrophobicContact CZ-CB 4.36Å; S227-L229 PolarHBondContact O-N 2.62Å; S227-L229 PolarHBondContact OG-N 3.05Å; L229-G231 VanDerWaalsContact C-N 3.31Å; L229-G231 PolarHBondContact O-N 2.62Å; L229-N232 WeakPolarHBondContact CD2-ND2 3.48Å; L229-N232 PolarHBondContact O-N 3.25Å; L229-N232 PolarHBondContact O-ND2 3.47Å; L229-I297 VanDerWaalsContact CD2-O 3.32Å; L229-I297 WeakPolarHBondContact CD2-O 3.17Å; L229-P423 HydrophobicContact CD2-CB 4.07Å; L229-P423 HydrophobicContact CG-CB 4.22Å; L229-V424 HydrophobicContact CD2-CG2 4.48Å; L229-A427 HydrophobicContact CD1-CB 3.72Å
230	S	94.6	Very high	93.8	Very high	2 Å²	2	26.4 Å²	26.4	1%	0.014	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-35	-170.4	73.9	0	0	0	0	113.3	F225 S227 N232 V233 D299	F225-S230 VanDerWaalsContact CD2-CB 3.44Å; S227-S230 WeakPolarHBondContact O-CB 3.21Å; S227-S230 PolarHBondContact O-N 2.81Å; S227-S230 PolarHBondContact O-OG 3.02Å; S230-N232 VanDerWaalsContact C-N 3.25Å; S230-N232 PolarHBondContact O-N 3.28Å; S230-V233 WeakPolarHBondContact O-CG1 3.49Å; S230-V233 WeakPolarHBondContact O-CG2 3.19Å; S230-V233 PolarHBondContact O-N 3.34Å; S230-D299 WeakPolarHBondContact CB-OD2 3.27Å; S230-D299 PolarHBondContact N-OD1 2.93Å; S230-D299 PolarHBondContact N-OD2 3.07Å; S230-D299 PolarHBondContact OG-OD2 2.63Å
231	G	94.9	Very high	94.1	Very high	0 Å²	0	17 Å²	17	0%	0	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-16.5	-177.3	0	0	0	0	0	114.7	L229 V233 I234 D299	L229-G231 VanDerWaalsContact C-N 3.31Å; L229-G231 PolarHBondContact O-N 2.62Å; G231-V233 PolarHBondContact O-N 2.81Å; G231-I234 WeakPolarHBondContact O-CB 3.5Å; G231-I234 WeakPolarHBondContact O-CD1 3.42Å; G231-I234 WeakPolarHBondContact O-CG1 3.35Å; G231-I234 PolarHBondContact O-N 2.72Å; G231-I234 VanDerWaalsContact O-N 3.17Å; G231-D299 WeakPolarHBondContact CA-OD1 3.46Å; G231-D299 PolarHBondContact N-OD1 2.78Å; G231-D299 PolarHBondContact N-OD2 3.34Å
232	N	97.1	Very high	94.4	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-67.2	-18	174.8	-62.6	-61.8	0	0	0	112.7	F196 L229 S230 I234 D235 L236 W296 I297 R302	F196-N232 HydrophobicContact CE1-CB 4.05Å; F196-N232 HydrophobicContact CE2-CB 4.07Å; F196-N232 HydrophobicContact CZ-CB 3.51Å; L229-N232 WeakPolarHBondContact CD2-ND2 3.48Å; L229-N232 PolarHBondContact O-N 3.25Å; L229-N232 PolarHBondContact O-ND2 3.47Å; S230-N232 VanDerWaalsContact C-N 3.25Å; S230-N232 PolarHBondContact O-N 3.28Å; N232-I234 PolarHBondContact O-N 3.03Å; N232-I234 VanDerWaalsContact O-N 3.14Å; N232-D235 PolarHBondContact O-N 3.09Å; N232-L236 WeakPolarHBondContact O-CG 3.44Å; N232-L236 PolarHBondContact O-N 2.88Å; N232-W296 HydrophobicContact CB-CE3 3.88Å; N232-W296 HydrophobicContact CB-CZ3 4.37Å; N232-I297 PolarHBondContact ND2-O 2.67Å; N232-I297 PolarHBondContact OD1-N 3.5Å; N232-I297 PolarHBondContact OD1-O 3.17Å; N232-I297 VanDerWaalsContact OD1-O 3.12Å; N232-R302 PolarHBondContact OD1-NH2 3.34Å
233	V	96	Very high	94.8	Very high	0 Å²	0	7.3 Å²	7.3	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-61.1	-21.1	172.9	-58.3	0	0	0	0	112.9	V180 C193 F196 F225 S230 G231 C237 L242	V180-V233 HydrophobicContact CG1-CG2 4.11Å; V180-V233 HydrophobicContact CG2-CG2 3.89Å; C193-V233 HydrophobicContact CB-CB 4.43Å; C193-V233 HydrophobicContact CB-CG1 4.48Å; F196-V233 HydrophobicContact CD1-CG1 3.55Å; F196-V233 HydrophobicContact CE1-CG1 3.98Å; F225-V233 HydrophobicContact CE1-CG1 4.15Å; F225-V233 HydrophobicContact CZ-CG1 4.24Å; S230-V233 WeakPolarHBondContact O-CG1 3.49Å; S230-V233 WeakPolarHBondContact O-CG2 3.19Å; S230-V233 PolarHBondContact O-N 3.34Å; G231-V233 PolarHBondContact O-N 2.81Å; V233-C237 WeakPolarHBondContact O-CB 3.31Å; V233-C237 PolarHBondContact O-N 2.89Å; V233-L242 HydrophobicContact CB-CD1 4.03Å; V233-L242 HydrophobicContact CG2-CD1 3.99Å
234	I	96.4	Very high	95.1	Very high	12 Å²	12	6.9 Å²	6.9	6%	0.062	4%	0.039	C	C	.	.	H	α-helix	trans	-67.8	-49.9	177.1	-63.9	161.4	0	0	0	109.9	V180 G231 N232 L236 C237 F303	V180-I234 HydrophobicContact CG1-CG1 4.18Å; V180-I234 HydrophobicContact CG2-CD1 4.09Å; V180-I234 HydrophobicContact CG2-CG1 4.18Å; G231-I234 WeakPolarHBondContact O-CB 3.5Å; G231-I234 WeakPolarHBondContact O-CD1 3.42Å; G231-I234 WeakPolarHBondContact O-CG1 3.35Å; G231-I234 PolarHBondContact O-N 2.72Å; G231-I234 VanDerWaalsContact O-N 3.17Å; N232-I234 PolarHBondContact O-N 3.03Å; N232-I234 VanDerWaalsContact O-N 3.14Å; I234-L236 VanDerWaalsContact C-N 3.29Å; I234-L236 PolarHBondContact O-N 2.98Å; I234-C237 PolarHBondContact O-N 2.81Å; I234-F303 HydrophobicContact CD1-CE1 4.48Å; I234-F303 HydrophobicContact CD1-CZ 3.91Å
235	D	94.3	Very high	95.3	Very high	58 Å²	58	9.5 Å²	9.5	31%	0.31	5%	0.05	S	C	.	.	H	α-helix	trans	-68.8	-33.2	180	-59.2	-20.8	0	0	0	111.6	N232 C237 P286 R302	N232-D235 PolarHBondContact O-N 3.09Å; D235-C237 VanDerWaalsContact C-N 3.26Å; D235-C237 PolarHBondContact O-N 3.48Å; D235-P286 WeakPolarHBondContact OD2-CD 3.4Å; D235-P286 WeakPolarHBondContact OD2-CG 3.46Å; D235-R302 IonicContact OD1-CZ 2.88Å; D235-R302 IonicContact OD1-NH1 3.84Å; D235-R302 PolarHBondContact OD1-NH1 2.95Å; D235-R302 IonicContact OD2-CZ 2.76Å; D235-R302 IonicContact OD2-NH1 3.86Å; D235-R302 PolarHBondContact OD2-NH1 3.37Å; D235-R302 IonicContact OD2-NH2 3.31Å; D235-R302 PolarHBondContact OD2-NH2 2.67Å
236	L	94.3	Very high	95.4	Very high	3 Å²	3	11.1 Å²	11.1	2%	0.016	6%	0.061	C	C	.	.	H	α-helix	trans	-67.3	-27.6	177.2	-76.8	170.5	0	0	0	113.6	H73 L76 R192 F196 N232 I234 P238 W296	H73-L236 WeakPolarHBondContact CD2-CD2 3.29Å; H73-L236 VanDerWaalsContact NE2-CD2 3.28Å; H73-L236 WeakPolarHBondContact NE2-CD2 3.45Å; L76-L236 HydrophobicContact CD1-CD2 4.14Å; R192-L236 WeakPolarHBondContact CD-O 3.41Å; R192-L236 PolarHBondContact NH1-O 3.3Å; F196-L236 HydrophobicContact CB-CD1 3.39Å; F196-L236 HydrophobicContact CD1-CD1 3.95Å; F196-L236 HydrophobicContact CD2-CD1 3.2Å; F196-L236 HydrophobicContact CE2-CD1 3.92Å; F196-L236 HydrophobicContact CG-CD1 3.21Å; N232-L236 WeakPolarHBondContact O-CG 3.44Å; N232-L236 PolarHBondContact O-N 2.88Å; I234-L236 VanDerWaalsContact C-N 3.29Å; I234-L236 PolarHBondContact O-N 2.98Å; L236-P238 VanDerWaalsContact O-CD 3.3Å; L236-P238 WeakPolarHBondContact O-CD 3.45Å; L236-W296 HydrophobicContact CD1-CH2 3.87Å; L236-W296 HydrophobicContact CD1-CZ3 3.77Å; L236-W296 HydrophobicContact CD2-CH2 3.47Å; L236-W296 VanDerWaalsContact CD2-CH2 3.47Å; L236-W296 HydrophobicContact CD2-CZ3 3.72Å; L236-W296 HydrophobicContact CG-CH2 3.92Å; L236-W296 HydrophobicContact CG-CZ3 3.7Å
237	C	96.9	Very high	95.6	Very high	11 Å²	11	11.1 Å²	11.1	7%	0.074	6%	0.06	C	C	.	.			trans	-72.4	116.6	-172.7	-157.9	0	0	0	0	109.8	V233 I234 D235 V239 L242	V233-C237 WeakPolarHBondContact O-CB 3.31Å; V233-C237 PolarHBondContact O-N 2.89Å; I234-C237 PolarHBondContact O-N 2.81Å; D235-C237 VanDerWaalsContact C-N 3.26Å; D235-C237 PolarHBondContact O-N 3.48Å; C237-V239 PolarHBondContact O-N 2.82Å; C237-V239 PolarHBondContact SG-O 3.44Å; C237-L242 HydrophobicContact CB-CB 4.03Å
238	P	96.1	Very high	95.4	Very high	2 Å²	2	12.1 Å²	12.1	1%	0.013	7%	0.067	C	C	.	.	S	Bend	trans	-68.7	-5.3	179.2	26.9	-32.4	0	0	0	113.2	Y70 D145 L146 I188 L236	Y70-P238 HydrophobicContact CD1-CB 4.01Å; D145-P238 HydrophobicContact CB-CB 3.84Å; D145-P238 WeakPolarHBondContact CB-O 3.5Å; D145-P238 PolarHBondContact N-O 3.26Å; D145-P238 WeakPolarHBondContact OD2-CB 3.33Å; L146-P238 PolarHBondContact N-O 3.33Å; I188-P238 HydrophobicContact CD1-CG 3.89Å; I188-P238 HydrophobicContact CG1-CG 4.34Å; L236-P238 VanDerWaalsContact O-CD 3.3Å; L236-P238 WeakPolarHBondContact O-CD 3.45Å
239	V	96.6	Very high	95.3	Very high	2 Å²	2	17.9 Å²	17.9	1%	0.012	9%	0.092	C	C	.	.	S	Bend	trans	-137.8	159.6	-173.3	-65.7	0	0	0	0	109	L146 I188 C237 A241	L146-V239 HydrophobicContact CB-CG1 3.75Å; L146-V239 HydrophobicContact CD2-CG1 3.83Å; L146-V239 HydrophobicContact CG-CG1 4.43Å; I188-V239 HydrophobicContact CD1-CG1 4.24Å; I188-V239 HydrophobicContact CG1-CG1 4.14Å; I188-V239 HydrophobicContact CG1-CG2 4.44Å; I188-V239 HydrophobicContact CG2-CG1 4.03Å; C237-V239 PolarHBondContact O-N 2.82Å; C237-V239 PolarHBondContact SG-O 3.44Å; V239-A241 HydrophobicContact CG2-CB 3.78Å; V239-A241 PolarHBondContact O-N 3.49Å
240	G	95.7	Very high	95.1	Very high	2 Å²	2	20.8 Å²	20.8	2%	0.021	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78	40.3	176.5	0	0	0	0	0	114.9	R186	R186-G240 WeakPolarHBondContact CD-O 3.29Å; R186-G240 PolarHBondContact NH1-O 3.13Å; R186-G240 VanDerWaalsContact NH1-O 3.14Å
241	A	96.6	Very high	95.1	Very high	1 Å²	1	21 Å²	21	1%	0.008	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-31	173.7	0	0	0	0	0	112.3	T182 I183 R186 C187 V239	T182-A241 CarbonylContact C-O 3.53Å; T182-A241 WeakPolarHBondContact CA-O 3.19Å; I183-A241 PolarHBondContact N-O 3.17Å; I183-A241 WeakPolarHBondContact O-CA 3.4Å; I183-A241 WeakPolarHBondContact O-CB 3.23Å; R186-A241 HydrophobicContact CB-CB 3.99Å; C187-A241 HydrophobicContact CB-CB 4.01Å; V239-A241 HydrophobicContact CG2-CB 3.78Å; V239-A241 PolarHBondContact O-N 3.49Å
242	L	96.3	Very high	95.1	Very high	4 Å²	4	23 Å²	23	2%	0.021	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	105	173.9	-58.4	177.8	0	0	0	106.6	I176 V180 K181 T182 M184 C193 V233 C237	I176-L242 HydrophobicContact CD1-CD2 4.45Å; V180-L242 HydrophobicContact CG1-CB 3.97Å; V180-L242 HydrophobicContact CG1-CD2 4.1Å; K181-L242 WeakPolarHBondContact O-CA 3.48Å; T182-L242 HydrophobicContact CG2-CD2 3.76Å; M184-L242 HydrophobicContact SD-CD2 4.26Å; C193-L242 HydrophobicContact CB-CD1 3.62Å; V233-L242 HydrophobicContact CB-CD1 4.03Å; V233-L242 HydrophobicContact CG2-CD1 3.99Å; C237-L242 HydrophobicContact CB-CB 4.03Å
243	T	96.3	Very high	94.9	Very high	2 Å²	2	23.5 Å²	23.5	1%	0.012	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	163.6	-178	67.2	0	0	0	0	110.4	D139 V180 K181 K245	D139-T243 HydrophobicContact CB-CG2 4.04Å; D139-T243 PolarHBondContact OD2-OG1 2.66Å; V180-T243 CarbonylContact C-O 3.46Å; K181-T243 PolarHBondContact N-O 3.39Å; K181-T243 PolarHBondContact O-N 2.69Å; T243-K245 PolarHBondContact O-N 2.83Å
244	S	95.9	Very high	94.9	Very high	14 Å²	14	31.5 Å²	31.5	10%	0.098	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	118.6	175.7	165.4	0	0	0	0	110.2	P246 Y247 S248	S244-P246 WeakPolarHBondContact OG-CD 3.14Å; S244-Y247 PolarHBondContact O-N 3.37Å; S244-Y247 VanDerWaalsContact OG-CB 3.29Å; S244-Y247 WeakPolarHBondContact OG-CB 3.49Å; S244-Y247 PolarHBondContact OG-N 2.82Å; S244-S248 PolarHBondContact O-N 3.15Å; S244-S248 VanDerWaalsContact O-N 3.08Å
245	K	95.3	Very high	94.8	Very high	77 Å²	77	34.9 Å²	34.9	34%	0.335	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-42.3	176.1	-167.8	176.8	-74.3	176.4	0	111.4	D175 G177 P178 V179 K181 T243 Y247 S248	D175-K245 IonicContact OD1-NZ 3.56Å; D175-K245 PolarHBondContact OD1-NZ 2.77Å; D175-K245 VanDerWaalsContact OD1-NZ 3.12Å; G177-K245 WeakPolarHBondContact O-CE 3.33Å; G177-K245 PolarHBondContact O-NZ 2.89Å; P178-K245 WeakPolarHBondContact O-CB 3.47Å; V179-K245 WeakPolarHBondContact O-CB 3.21Å; V179-K245 PolarHBondContact O-N 2.86Å; K181-K245 HydrophobicContact CB-CB 3.91Å; K181-K245 HydrophobicContact CB-CG 4.29Å; T243-K245 PolarHBondContact O-N 2.83Å; K245-Y247 VanDerWaalsContact C-N 3.32Å; K245-Y247 PolarHBondContact O-N 3.08Å; K245-S248 WeakPolarHBondContact O-CB 3.23Å; K245-S248 PolarHBondContact O-N 2.85Å
246	P	94.5	Very high	94.9	Very high	36 Å²	36	32.9 Å²	32.9	23%	0.234	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-28.5	174.4	-24.7	35.1	0	0	0	115.3	V179 S244 F303 T717	V179-P246 WeakPolarHBondContact O-CD 3.39Å; S244-P246 WeakPolarHBondContact OG-CD 3.14Å; P246-F303 HydrophobicContact CB-CD1 4.44Å; P246-F303 HydrophobicContact CG-CD1 3.83Å; P246-F303 HydrophobicContact CG-CE1 4.27Å; P246-T717 HydrophobicContact CG-CG2 3.58Å
247	Y	94.3	Very high	95	Very high	5 Å²	5	41.6 Å²	41.6	2%	0.02	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.8	-4.5	-179.8	179.8	-114	0	0	0	113.4	S244 K245 F249 V250 A251 M282 R283	S244-Y247 PolarHBondContact O-N 3.37Å; S244-Y247 VanDerWaalsContact OG-CB 3.29Å; S244-Y247 WeakPolarHBondContact OG-CB 3.49Å; S244-Y247 PolarHBondContact OG-N 2.82Å; K245-Y247 VanDerWaalsContact C-N 3.32Å; K245-Y247 PolarHBondContact O-N 3.08Å; Y247-F249 PolarHBondContact O-N 2.86Å; Y247-V250 HydrophobicContact CD2-CB 4.23Å; Y247-V250 HydrophobicContact CE2-CB 4.43Å; Y247-V250 PolarHBondContact O-N 3.02Å; Y247-V250 VanDerWaalsContact O-N 3.16Å; Y247-A251 HydrophobicContact CE2-CB 3.94Å; Y247-A251 WeakPolarHBondContact OH-CB 3.49Å; Y247-A251 PolarHBondContact OH-O 3.33Å; Y247-M282 WeakPolarHBondContact CD2-O 3.33Å; Y247-M282 HydrophobicContact CE2-CB 3.97Å; Y247-R283 HydrophobicContact CD2-CB 4Å; Y247-R283 HydrophobicContact CD2-CG 4.35Å; Y247-R283 HydrophobicContact CE2-CB 4.36Å; Y247-R283 HydrophobicContact CE2-CG 4.23Å; Y247-R283 HydrophobicContact CG-CB 4.25Å
248	S	91.7	Very high	94.9	Very high	21 Å²	21	47.5 Å²	47.5	15%	0.147	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	124.3	-170.3	-162.2	0	0	0	0	111.8	D139 K181 S244 K245 V250	D139-S248 WeakPolarHBondContact OD2-CA 3.36Å; D139-S248 WeakPolarHBondContact OD2-CB 3.48Å; D139-S248 PolarHBondContact OD2-OG 3.4Å; K181-S248 WeakPolarHBondContact CD-OG 3.25Å; K181-S248 PolarHBondContact NZ-OG 2.73Å; S244-S248 PolarHBondContact O-N 3.15Å; S244-S248 VanDerWaalsContact O-N 3.08Å; K245-S248 WeakPolarHBondContact O-CB 3.23Å; K245-S248 PolarHBondContact O-N 2.85Å; S248-V250 PolarHBondContact O-N 3.42Å
249	F	91.5	Very high	95	Very high	124 Å²	124	48.6 Å²	48.6	54%	0.544	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.9	14.8	179.5	-43.1	-43.8	0	0	0	116.2	V137 D139 Y247	V137-F249 WeakPolarHBondContact O-CE1 3.41Å; D139-F249 WeakPolarHBondContact OD1-CD1 3.38Å; D139-F249 PolarHBondContact OD1-N 3.32Å; Y247-F249 PolarHBondContact O-N 2.86Å
250	V	92.8	Very high	95	Very high	61 Å²	61	53.3 Å²	53.3	37%	0.37	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-43.3	-178.1	179.2	0	0	0	0	112.4	Y247 S248 R277 M282	Y247-V250 HydrophobicContact CD2-CB 4.23Å; Y247-V250 HydrophobicContact CE2-CB 4.43Å; Y247-V250 PolarHBondContact O-N 3.02Å; Y247-V250 VanDerWaalsContact O-N 3.16Å; S248-V250 PolarHBondContact O-N 3.42Å; V250-R277 PolarHBondContact O-NH1 3.42Å; V250-R277 PolarHBondContact O-NH2 2.82Å; V250-M282 HydrophobicContact CG1-SD 3.81Å
251	A	93.8	Very high	95	Very high	5 Å²	5	53.3 Å²	53.3	4%	0.041	24%	0.244	C	C	.	.			trans	-151.3	172.2	-179.1	0	0	0	0	0	112.4	Y247 T256 M282	Y247-A251 HydrophobicContact CE2-CB 3.94Å; Y247-A251 WeakPolarHBondContact OH-CB 3.49Å; Y247-A251 PolarHBondContact OH-O 3.33Å; A251-T256 HydrophobicContact CB-CG2 4.3Å; A251-M282 HydrophobicContact CB-CG 4.24Å; A251-M282 HydrophobicContact CB-SD 3.9Å
252	R	94.7	Very high	95	Very high	43 Å²	43	53.5 Å²	53.5	16%	0.162	24%	0.244	C	C	.	.			trans	-115.3	146.1	174.9	-67.7	-67	-179.9	-153.5	5.1	111.2	P136 C138 D139 W254 E255	P136-R252 PolarHBondContact O-NH2 2.87Å; C138-R252 PolarHBondContact O-NH1 3.27Å; C138-R252 PolarHBondContact O-NH2 2.99Å; D139-R252 VanDerWaalsContact CA-NH1 3.26Å; D139-R252 PolarHBondContact O-NH1 2.98Å; R252-W254 VanDerWaalsContact C-N 3.28Å; R252-W254 HydrophobicContact CB-CD2 3.95Å; R252-W254 HydrophobicContact CB-CE3 4.32Å; R252-W254 HydrophobicContact CB-CH2 3.94Å; R252-W254 HydrophobicContact CB-CZ2 3.51Å; R252-W254 HydrophobicContact CB-CZ3 4.32Å; R252-W254 HydrophobicContact CG-CH2 3.87Å; R252-W254 HydrophobicContact CG-CZ2 3.52Å; R252-W254 PolarHBondContact O-N 2.82Å; R252-E255 HydrophobicContact CB-CG 4.21Å; R252-E255 WeakPolarHBondContact O-CB 3.29Å; R252-E255 PolarHBondContact O-N 2.87Å
253	P	94	Very high	95	Very high	11 Å²	11	53.4 Å²	53.4	7%	0.071	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-58.3	-36.7	-171.6	21.8	-33.7	0	0	0	113.5	G141 E143 E255 T256	G141-P253 WeakPolarHBondContact O-CD 3.12Å; G141-P253 WeakPolarHBondContact O-CG 3.48Å; E143-P253 HydrophobicContact CB-CB 4.15Å; E143-P253 HydrophobicContact CB-CG 4.1Å; E143-P253 HydrophobicContact CG-CB 4.14Å; E143-P253 HydrophobicContact CG-CG 3.98Å; P253-E255 VanDerWaalsContact C-N 3.29Å; P253-E255 PolarHBondContact O-N 2.92Å; P253-T256 PolarHBondContact O-N 3.05Å; P253-T256 PolarHBondContact O-OG1 3.3Å
254	W	94.9	Very high	95	Very high	167 Å²	167	53.3 Å²	53.3	63%	0.633	24%	0.243	S	C	*	.	G	3₁₀ helix	trans	-71.7	-17.1	179.1	58.6	77.6	0	0	0	114.6	G141 R252	G141-W254 VanDerWaalsContact O-CZ3 3.26Å; G141-W254 WeakPolarHBondContact O-CZ3 3.39Å; R252-W254 VanDerWaalsContact C-N 3.28Å; R252-W254 HydrophobicContact CB-CD2 3.95Å; R252-W254 HydrophobicContact CB-CE3 4.32Å; R252-W254 HydrophobicContact CB-CH2 3.94Å; R252-W254 HydrophobicContact CB-CZ2 3.51Å; R252-W254 HydrophobicContact CB-CZ3 4.32Å; R252-W254 HydrophobicContact CG-CH2 3.87Å; R252-W254 HydrophobicContact CG-CZ2 3.52Å; R252-W254 PolarHBondContact O-N 2.82Å
255	E	94.9	Very high	95	Very high	84 Å²	84	53 Å²	53	39%	0.393	24%	0.24	S	C	.	.	G	3₁₀ helix	trans	-85.6	-19.2	176.5	-60	174.4	-174.7	0	0	112.3	R252 P253 R277	R252-E255 HydrophobicContact CB-CG 4.21Å; R252-E255 WeakPolarHBondContact O-CB 3.29Å; R252-E255 PolarHBondContact O-N 2.87Å; P253-E255 VanDerWaalsContact C-N 3.29Å; P253-E255 PolarHBondContact O-N 2.92Å; E255-R277 WeakPolarHBondContact OE2-CD 3.27Å; E255-R277 IonicContact OE2-CZ 3.18Å; E255-R277 IonicContact OE2-NH1 2.77Å; E255-R277 PolarHBondContact OE2-NH1 3.44Å
256	T	95.4	Very high	94.9	Very high	15 Å²	15	49.7 Å²	49.7	9%	0.092	23%	0.226	C	C	.	.			trans	-86	137.3	-172.6	62.7	0	0	0	0	111.9	A251 P253 H276 M282	A251-T256 HydrophobicContact CB-CG2 4.3Å; P253-T256 PolarHBondContact O-N 3.05Å; P253-T256 PolarHBondContact O-OG1 3.3Å; T256-H276 WeakPolarHBondContact CA-O 3.43Å; T256-M282 HydrophobicContact CG2-CB 4.47Å; T256-M282 HydrophobicContact CG2-CG 4.39Å
257	R	96.5	Very high	94.9	Very high	187 Å²	187	48.1 Å²	48.1	71%	0.706	22%	0.216	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-87.9	141.4	165.2	-67.4	178.1	-178.6	-99.7	-0.6	108.5	S275 H276	R257-S275 WeakPolarHBondContact O-CA 3.39Å; R257-H276 PolarHBondContact N-O 3.46Å; R257-H276 PolarHBondContact O-N 3.45Å
258	K	96.3	Very high	95	Very high	134 Å²	134	47.9 Å²	47.9	58%	0.583	22%	0.215	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-109	119.1	-178.6	-65.1	-179.3	-178.1	-176.6	0	108.8	I273	K258-I273 HydrophobicContact CB-CG2 3.69Å; K258-I273 HydrophobicContact CD-CG2 4.37Å; K258-I273 HydrophobicContact CG-CG2 4.07Å
259	T	97.1	Very high	95.2	Very high	26 Å²	26	47.1 Å²	47.1	16%	0.16	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	121.1	172.4	-60.4	0	0	0	0	108.1	I274 H276 F616 A618	T259-I274 PolarHBondContact N-O 3.01Å; T259-I274 PolarHBondContact O-N 2.87Å; T259-H276 PolarHBondContact OG1-NE2 3.36Å; T259-F616 HydrophobicContact CG2-CB 3.89Å; T259-A618 HydrophobicContact CG2-CB 4.07Å
260	E	96.4	Very high	95.5	Very high	101 Å²	101	41.2 Å²	41.2	47%	0.472	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	135.7	172.3	-61.3	-173.1	-168.2	0	0	109.6	R287 F616	E260-R287 VanDerWaalsContact OE2-CD 3.3Å; E260-R287 WeakPolarHBondContact OE2-CD 3.09Å; E260-R287 IonicContact OE2-CZ 3.85Å; E260-R287 IonicContact OE2-NE 2.93Å; E260-R287 IonicContact OE2-NH1 3.85Å; E260-R287 PolarHBondContact OE2-NH1 3.42Å; E260-F616 VanDerWaalsContact O-CD2 3.3Å; E260-F616 WeakPolarHBondContact O-CD2 3.33Å
261	S	96.3	Very high	95.7	Very high	2 Å²	2	38.6 Å²	38.6	1%	0.014	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	-169.2	-178.6	-160.8	0	0	0	0	110.5	I272 S615 F616	S261-I272 PolarHBondContact N-O 3.07Å; S261-I272 WeakPolarHBondContact O-CG1 3.25Å; S261-I272 PolarHBondContact O-N 3.37Å; S261-S615 WeakPolarHBondContact OG-CA 3.23Å; S261-S615 WeakPolarHBondContact OG-CB 3.38Å; S261-F616 PolarHBondContact OG-N 3.2Å
262	I	96.6	Very high	95.9	Very high	4 Å²	4	38.3 Å²	38.3	2%	0.021	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	144.3	-175.9	-52.6	-67.1	0	0	0	109.1	N271 Q613 Q614	I262-N271 WeakPolarHBondContact CD1-OD1 3.12Å; I262-Q613 HydrophobicContact CD1-CB 3.85Å; I262-Q613 HydrophobicContact CD1-CG 4.34Å; I262-Q613 HydrophobicContact CG1-CB 3.78Å; I262-Q613 HydrophobicContact CG2-CB 4.35Å; I262-Q613 VanDerWaalsContact CG2-OE1 3.3Å; I262-Q614 VanDerWaalsContact CG1-O 3.31Å; I262-Q614 WeakPolarHBondContact CG1-O 3.29Å
263	D	96.4	Very high	96	Very high	2 Å²	2	38 Å²	38	1%	0.011	17%	0.167	C	C	.	.			trans	-79.4	149	173	-175.8	31.3	0	0	0	112.5	M265 S270 I272 T301	D263-M265 WeakPolarHBondContact OD1-CB 3.47Å; D263-M265 WeakPolarHBondContact OD1-CG 3.15Å; D263-M265 PolarHBondContact OD1-N 3.09Å; D263-S270 WeakPolarHBondContact CB-O 3.48Å; D263-S270 PolarHBondContact N-O 3.16Å; D263-I272 HydrophobicContact CB-CD1 4.41Å; D263-I272 HydrophobicContact CB-CG2 4.22Å; D263-T301 HydrophobicContact CB-CG2 3.63Å; D263-T301 VanDerWaalsContact OD2-CB 3.27Å; D263-T301 WeakPolarHBondContact OD2-CB 3.4Å; D263-T301 WeakPolarHBondContact OD2-CG2 3.42Å; D263-T301 PolarHBondContact OD2-OG1 3.02Å
264	V	96	Very high	96.2	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	16%	0.164	C	C	.	.			trans	-126.6	2.3	178	-59	0	0	0	0	112.7	D266 F356 A528 Y598 Y605	V264-D266 VanDerWaalsContact C-N 3.27Å; V264-D266 PolarHBondContact O-N 3.35Å; V264-F356 HydrophobicContact CB-CD1 3.97Å; V264-F356 HydrophobicContact CG2-CD1 3.52Å; V264-F356 HydrophobicContact CG2-CE1 4Å; V264-F356 HydrophobicContact CG2-CG 4.41Å; V264-F356 WeakPolarHBondContact O-CD1 3.39Å; V264-F356 WeakPolarHBondContact O-CE1 3.47Å; V264-A528 HydrophobicContact CB-CB 3.98Å; V264-A528 VanDerWaalsContact O-CB 3.31Å; V264-A528 WeakPolarHBondContact O-CB 3.33Å; V264-Y598 HydrophobicContact CG1-CD2 4.38Å; V264-Y598 HydrophobicContact CG1-CG 4.28Å; V264-Y598 HydrophobicContact CG2-CD1 3.47Å; V264-Y598 VanDerWaalsContact CG2-CD1 3.47Å; V264-Y598 HydrophobicContact CG2-CD2 3.95Å; V264-Y598 HydrophobicContact CG2-CE1 4.03Å; V264-Y598 HydrophobicContact CG2-CE2 4.46Å; V264-Y598 HydrophobicContact CG2-CG 3.43Å; V264-Y598 VanDerWaalsContact CG2-CG 3.43Å; V264-Y605 HydrophobicContact CG1-CD1 3.8Å; V264-Y605 HydrophobicContact CG1-CD2 3.93Å; V264-Y605 HydrophobicContact CG1-CE1 3.61Å; V264-Y605 HydrophobicContact CG1-CE2 3.76Å; V264-Y605 HydrophobicContact CG1-CG 3.95Å
265	M	95.4	Very high	96.3	Very high	9 Å²	9	29.5 Å²	29.5	4%	0.044	13%	0.134	C	C	.	.	S	Bend	trans	-68.5	-26.2	-178.7	-65	-66.7	164.9	0	0	113.2	D263 K300 A304 F356 Y598 I711 T712	D263-M265 WeakPolarHBondContact OD1-CB 3.47Å; D263-M265 WeakPolarHBondContact OD1-CG 3.15Å; D263-M265 PolarHBondContact OD1-N 3.09Å; M265-K300 HydrophobicContact CB-CD 3.86Å; M265-K300 HydrophobicContact CB-CG 3.99Å; M265-K300 HydrophobicContact CG-CD 4.49Å; M265-K300 HydrophobicContact CG-CG 4.19Å; M265-K300 HydrophobicContact SD-CG 4.26Å; M265-A304 HydrophobicContact CE-CB 3.47Å; M265-A304 VanDerWaalsContact CE-CB 3.47Å; M265-A304 HydrophobicContact SD-CB 3.91Å; M265-F356 HydrophobicContact SD-CE1 4.44Å; M265-F356 HydrophobicContact SD-CZ 4.42Å; M265-Y598 HydrophobicContact CE-CE1 3.86Å; M265-I711 HydrophobicContact CE-CB 4Å; M265-I711 HydrophobicContact CE-CD1 3.63Å; M265-I711 HydrophobicContact CE-CG1 4.41Å; M265-I711 HydrophobicContact CE-CG2 3.8Å; M265-I711 HydrophobicContact SD-CB 4.48Å; M265-I711 HydrophobicContact SD-CD1 4.41Å; M265-T712 HydrophobicContact SD-CG2 4.29Å
266	D	93.6	Very high	96.3	Very high	7 Å²	7	26.6 Å²	26.6	4%	0.037	12%	0.12	C	C	.	.	S	Bend	trans	-131.9	171.7	170	64.8	22.6	0	0	0	109.9	V264 V268	V264-D266 VanDerWaalsContact C-N 3.27Å; V264-D266 PolarHBondContact O-N 3.35Å; D266-V268 PolarHBondContact O-N 3.41Å; D266-V268 VanDerWaalsContact OD1-CB 3.31Å; D266-V268 WeakPolarHBondContact OD1-CB 3.46Å; D266-V268 PolarHBondContact OD1-N 3.28Å
267	A	95.2	Very high	96.3	Very high	2 Å²	2	29.2 Å²	29.2	2%	0.017	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.6	7.9	177	0	0	0	0	0	113.6	G269 H525 N607 T608	A267-G269 VanDerWaalsContact C-N 3.33Å; A267-H525 HydrophobicContact CB-CB 3.51Å; A267-H525 VanDerWaalsContact CB-O 3.23Å; A267-H525 WeakPolarHBondContact CB-O 3.38Å; A267-N607 CarbonylContact O-C 3.56Å; A267-N607 WeakPolarHBondContact O-CA 3.26Å; A267-N607 WeakPolarHBondContact O-CB 3.47Å; A267-T608 PolarHBondContact O-N 3.29Å
268	V	95.9	Very high	96.1	Very high	1 Å²	1	26.6 Å²	26.6	1%	0.006	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-30.6	178.7	179.6	0	0	0	0	110.7	D266 I292 I402 A422 V424 N607	D266-V268 PolarHBondContact O-N 3.41Å; D266-V268 VanDerWaalsContact OD1-CB 3.31Å; D266-V268 WeakPolarHBondContact OD1-CB 3.46Å; D266-V268 PolarHBondContact OD1-N 3.28Å; V268-I292 HydrophobicContact CG1-CG2 3.6Å; V268-I402 HydrophobicContact CG1-CD1 3.98Å; V268-A422 HydrophobicContact CG2-CB 3.49Å; V268-A422 VanDerWaalsContact CG2-CB 3.49Å; V268-V424 HydrophobicContact CG1-CB 4.34Å; V268-V424 HydrophobicContact CG1-CG1 4.37Å; V268-N607 WeakPolarHBondContact O-CB 3.19Å; V268-N607 PolarHBondContact O-ND2 2.96Å; V268-N607 VanDerWaalsContact O-ND2 3.17Å
269	G	95.3	Very high	95.7	Very high	4 Å²	4	22.4 Å²	22.4	4%	0.041	13%	0.128	C	C	.	.			trans	67.8	48.3	-177.5	0	0	0	0	0	111.2	A267 N271 Q613	A267-G269 VanDerWaalsContact C-N 3.33Å; G269-N271 PolarHBondContact O-N 2.99Å; G269-Q613 PolarHBondContact O-NE2 3.28Å; G269-Q613 PolarHBondContact O-OE1 3Å
270	S	97.1	Very high	95.5	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.14	C	C	.	.			trans	-61.6	135.5	-178.6	-63.3	0	0	0	0	111	D263	D263-S270 WeakPolarHBondContact CB-O 3.48Å; D263-S270 PolarHBondContact N-O 3.16Å
271	N	97.3	Very high	95.5	Very high	6 Å²	6	20.6 Å²	20.6	3%	0.032	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	132.2	-179.5	-72.5	-0.2	0	0	0	110.5	I262 G269 R287 N289 N293 Q613	I262-N271 WeakPolarHBondContact CD1-OD1 3.12Å; G269-N271 PolarHBondContact O-N 2.99Å; N271-R287 HydrophobicContact CB-CB 3.97Å; N271-R287 PolarHBondContact ND2-NH2 2.75Å; N271-R287 PolarHBondContact O-N 2.79Å; N271-N289 HydrophobicContact CB-CB 4.2Å; N271-N289 WeakPolarHBondContact ND2-CB 3.46Å; N271-N289 PolarHBondContact ND2-ND2 2.65Å; N271-N293 PolarHBondContact N-OD1 3.47Å; N271-N293 PolarHBondContact O-ND2 3.32Å; N271-Q613 PolarHBondContact OD1-NE2 3.36Å
272	I	97.9	Very high	95.4	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	160.9	-175	58.4	172.5	0	0	0	112.5	S261 D263 I274 I284 I285 I297 T301 Y598	S261-I272 PolarHBondContact N-O 3.07Å; S261-I272 WeakPolarHBondContact O-CG1 3.25Å; S261-I272 PolarHBondContact O-N 3.37Å; D263-I272 HydrophobicContact CB-CD1 4.41Å; D263-I272 HydrophobicContact CB-CG2 4.22Å; I272-I274 HydrophobicContact CD1-CD1 4.36Å; I272-I274 HydrophobicContact CD1-CG1 4.05Å; I272-I274 HydrophobicContact CG1-CG1 4.48Å; I272-I284 HydrophobicContact CB-CG2 3.86Å; I272-I284 HydrophobicContact CD1-CG2 3.97Å; I272-I284 HydrophobicContact CG1-CG2 4.48Å; I272-I284 HydrophobicContact CG2-CG2 3.88Å; I272-I285 CarbonylContact C-O 3.6Å; I272-I285 WeakPolarHBondContact CA-O 3.24Å; I272-I297 HydrophobicContact CG2-CG2 3.96Å; I272-T301 HydrophobicContact CG2-CG2 3.8Å; I272-Y598 HydrophobicContact CD1-CE2 4.08Å
273	I	97.8	Very high	95.4	Very high	36 Å²	36	21.6 Å²	21.6	19%	0.185	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	115.7	168.1	-53.5	-175.4	0	0	0	107.2	K258 I285 R287	K258-I273 HydrophobicContact CB-CG2 3.69Å; K258-I273 HydrophobicContact CD-CG2 4.37Å; K258-I273 HydrophobicContact CG-CG2 4.07Å; I273-I285 PolarHBondContact N-O 3.42Å; I273-I285 PolarHBondContact O-N 2.89Å; I273-R287 HydrophobicContact CD1-CB 4.3Å; I273-R287 HydrophobicContact CD1-CG 4.43Å; I273-R287 HydrophobicContact CG1-CB 3.77Å; I273-R287 HydrophobicContact CG1-CG 4.26Å
274	I	97.1	Very high	95.4	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	115.6	176	-59.8	168.6	0	0	0	107.8	T259 I272 L281 T599 A618	T259-I274 PolarHBondContact N-O 3.01Å; T259-I274 PolarHBondContact O-N 2.87Å; I272-I274 HydrophobicContact CD1-CD1 4.36Å; I272-I274 HydrophobicContact CD1-CG1 4.05Å; I272-I274 HydrophobicContact CG1-CG1 4.48Å; I274-L281 HydrophobicContact CG2-CD2 3.27Å; I274-T599 HydrophobicContact CD1-CG2 3.65Å; I274-A618 HydrophobicContact CB-CB 3.98Å; I274-A618 HydrophobicContact CD1-CB 4.1Å; I274-A618 HydrophobicContact CG2-CB 3.63Å
275	S	96.9	Very high	95.4	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	121.9	173.5	-59.4	0	0	0	0	109.5	R257 M282 R283	R257-S275 WeakPolarHBondContact O-CA 3.39Å; S275-M282 WeakPolarHBondContact O-CB 3.24Å; S275-M282 PolarHBondContact O-N 3.2Å; S275-R283 PolarHBondContact N-O 2.84Å; S275-R283 PolarHBondContact O-N 3.3Å
276	H	95.2	Very high	95.5	Very high	22 Å²	22	23.7 Å²	23.7	10%	0.102	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	154.3	179	64.8	96.2	0	0	0	111.9	T256 R257 T259 E280 L281 A618 I619	T256-H276 WeakPolarHBondContact CA-O 3.43Å; R257-H276 PolarHBondContact N-O 3.46Å; R257-H276 PolarHBondContact O-N 3.45Å; T259-H276 PolarHBondContact OG1-NE2 3.36Å; H276-E280 CarbonylContact C-O 3.56Å; H276-E280 VanDerWaalsContact CA-O 3.23Å; H276-E280 WeakPolarHBondContact CA-O 3.4Å; H276-E280 VanDerWaalsContact CB-O 3.28Å; H276-E280 WeakPolarHBondContact CB-O 3.49Å; H276-L281 HydrophobicContact CB-CD2 4.48Å; H276-A618 PolarHBondContact CE1-O 3.03Å; H276-A618 PolarHBondContact NE2-O 2.84Å; H276-A618 VanDerWaalsContact NE2-O 3.15Å; H276-I619 HydrophobicContact CB-CG2 3.91Å
277	R	95.1	Very high	95.6	Very high	70 Å²	70	26.8 Å²	26.8	26%	0.264	14%	0.144	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	133.1	177	-175.7	-175.1	69.2	-171.4	-7.9	107.9	V250 E255 G279 E280 M282	V250-R277 PolarHBondContact O-NH1 3.42Å; V250-R277 PolarHBondContact O-NH2 2.82Å; E255-R277 WeakPolarHBondContact OE2-CD 3.27Å; E255-R277 IonicContact OE2-CZ 3.18Å; E255-R277 IonicContact OE2-NH1 2.77Å; E255-R277 PolarHBondContact OE2-NH1 3.44Å; R277-G279 PolarHBondContact O-N 3.08Å; R277-E280 PolarHBondContact N-O 3.03Å; R277-E280 PolarHBondContact O-N 2.83Å; R277-M282 HydrophobicContact CB-CE 4.09Å; R277-M282 HydrophobicContact CB-CG 3.77Å; R277-M282 HydrophobicContact CB-SD 4.15Å
278	T	92.7	Very high	95.7	Very high	132 Å²	132	30.7 Å²	30.7	81%	0.81	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.5	37.7	174.5	51.9	0	0	0	0	114.5	E280	T278-E280 VanDerWaalsContact C-N 3.34Å
279	G	89.1	Confident	95.6	Very high	46 Å²	46	32.1 Å²	32.1	47%	0.474	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.8	5.3	180	0	0	0	0	0	115.4	R277 I619	R277-G279 PolarHBondContact O-N 3.08Å; G279-I619 WeakPolarHBondContact O-CG2 3.16Å
280	E	93.2	Very high	95.6	Very high	86 Å²	86	35.9 Å²	35.9	40%	0.402	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	138.9	-180	-173.3	-171.1	176.2	0	0	111.2	H276 R277 T278 M282 K309	H276-E280 CarbonylContact C-O 3.56Å; H276-E280 VanDerWaalsContact CA-O 3.23Å; H276-E280 WeakPolarHBondContact CA-O 3.4Å; H276-E280 VanDerWaalsContact CB-O 3.28Å; H276-E280 WeakPolarHBondContact CB-O 3.49Å; R277-E280 PolarHBondContact N-O 3.03Å; R277-E280 PolarHBondContact O-N 2.83Å; T278-E280 VanDerWaalsContact C-N 3.34Å; E280-M282 HydrophobicContact CB-CE 3.49Å; E280-M282 VanDerWaalsContact CB-CE 3.49Å; E280-M282 HydrophobicContact CG-CE 3.58Å; E280-M282 WeakPolarHBondContact O-CE 3.48Å; E280-M282 PolarHBondContact O-N 3.24Å; E280-M282 WeakPolarHBondContact OE2-CE 3.29Å; E280-K309 HydrophobicContact CG-CD 4.42Å; E280-K309 WeakPolarHBondContact OE1-CE 3.39Å; E280-K309 IonicContact OE1-NZ 2.86Å; E280-K309 PolarHBondContact OE1-NZ 3.34Å
281	L	94.8	Very high	95.4	Very high	4 Å²	4	39.3 Å²	39.3	2%	0.021	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	128	174.6	-63.6	175.8	0	0	0	111	I274 H276 L308 K309 T599 I619	I274-L281 HydrophobicContact CG2-CD2 3.27Å; H276-L281 HydrophobicContact CB-CD2 4.48Å; L281-L308 HydrophobicContact CD1-CB 4.06Å; L281-L308 HydrophobicContact CD1-CD1 3.5Å; L281-L308 VanDerWaalsContact CD1-CD1 3.5Å; L281-L308 HydrophobicContact CD1-CG 4.44Å; L281-K309 WeakPolarHBondContact O-CE 3.32Å; L281-K309 PolarHBondContact O-NZ 2.8Å; L281-T599 HydrophobicContact CD1-CG2 4.21Å; L281-I619 HydrophobicContact CD1-CD1 4.04Å; L281-I619 HydrophobicContact CD2-CD1 4.27Å; L281-I619 HydrophobicContact CD2-CG1 4.09Å; L281-I619 HydrophobicContact CD2-CG2 3.99Å; L281-I619 HydrophobicContact CG-CD1 3.8Å; L281-I619 HydrophobicContact CG-CG1 4.18Å; L281-I619 HydrophobicContact CG-CG2 4.34Å
282	M	95.1	Very high	95.3	Very high	3 Å²	3	39 Å²	39	2%	0.015	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	-49.8	-177.4	-65	-65.6	127.1	0	0	111.7	Y247 V250 A251 T256 S275 R277 E280 Y305	Y247-M282 WeakPolarHBondContact CD2-O 3.33Å; Y247-M282 HydrophobicContact CE2-CB 3.97Å; V250-M282 HydrophobicContact CG1-SD 3.81Å; A251-M282 HydrophobicContact CB-CG 4.24Å; A251-M282 HydrophobicContact CB-SD 3.9Å; T256-M282 HydrophobicContact CG2-CB 4.47Å; T256-M282 HydrophobicContact CG2-CG 4.39Å; S275-M282 WeakPolarHBondContact O-CB 3.24Å; S275-M282 PolarHBondContact O-N 3.2Å; R277-M282 HydrophobicContact CB-CE 4.09Å; R277-M282 HydrophobicContact CB-CG 3.77Å; R277-M282 HydrophobicContact CB-SD 4.15Å; E280-M282 HydrophobicContact CB-CE 3.49Å; E280-M282 VanDerWaalsContact CB-CE 3.49Å; E280-M282 HydrophobicContact CG-CE 3.58Å; E280-M282 WeakPolarHBondContact O-CE 3.48Å; E280-M282 PolarHBondContact O-N 3.24Å; E280-M282 WeakPolarHBondContact OE2-CE 3.29Å; M282-Y305 WeakPolarHBondContact O-CE2 3.44Å; M282-Y305 PolarHBondContact O-OH 3.42Å
283	R	95.8	Very high	95.1	Very high	24 Å²	24	39 Å²	39	9%	0.091	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.5	161.5	179.2	61.3	179.1	179.1	177.8	5.7	111.5	E143 Y247 S275 I285	E143-R283 IonicContact OE1-CZ 2.76Å; E143-R283 IonicContact OE1-NH1 3.64Å; E143-R283 PolarHBondContact OE1-NH1 2.83Å; E143-R283 IonicContact OE1-NH2 2.83Å; E143-R283 PolarHBondContact OE1-NH2 3.41Å; E143-R283 IonicContact OE2-CZ 3.64Å; E143-R283 IonicContact OE2-NH1 3.86Å; E143-R283 IonicContact OE2-NH2 2.68Å; E143-R283 PolarHBondContact OE2-NH2 3.08Å; Y247-R283 HydrophobicContact CD2-CB 4Å; Y247-R283 HydrophobicContact CD2-CG 4.35Å; Y247-R283 HydrophobicContact CE2-CB 4.36Å; Y247-R283 HydrophobicContact CE2-CG 4.23Å; Y247-R283 HydrophobicContact CG-CB 4.25Å; S275-R283 PolarHBondContact N-O 2.84Å; S275-R283 PolarHBondContact O-N 3.3Å; R283-I285 HydrophobicContact CG-CD1 4.39Å; R283-I285 HydrophobicContact CG-CG1 4.44Å
284	I	97.4	Very high	94.9	Very high	3 Å²	3	37.6 Å²	37.6	2%	0.015	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	130.4	172.4	-61.8	179.8	0	0	0	108.7	I272 I297 Y305 Y598	I272-I284 HydrophobicContact CB-CG2 3.86Å; I272-I284 HydrophobicContact CD1-CG2 3.97Å; I272-I284 HydrophobicContact CG1-CG2 4.48Å; I272-I284 HydrophobicContact CG2-CG2 3.88Å; I284-I297 HydrophobicContact CG2-CD1 4.36Å; I284-Y305 HydrophobicContact CG1-CD1 4.41Å; I284-Y305 HydrophobicContact CG1-CG 4.5Å; I284-Y598 WeakPolarHBondContact CD1-OH 3.43Å
285	I	96.1	Very high	94.8	Very high	34 Å²	34	39.7 Å²	39.7	17%	0.174	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	147.3	-179.9	-64.5	171.4	0	0	0	108.2	I272 I273 R283	I272-I285 CarbonylContact C-O 3.6Å; I272-I285 WeakPolarHBondContact CA-O 3.24Å; I273-I285 PolarHBondContact N-O 3.42Å; I273-I285 PolarHBondContact O-N 2.89Å; R283-I285 HydrophobicContact CG-CD1 4.39Å; R283-I285 HydrophobicContact CG-CG1 4.44Å
286	P	97.5	Very high	94.8	Very high	17 Å²	17	40 Å²	40	11%	0.11	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.3	145.8	171.9	25.1	-35.2	0	0	0	112.3	D235 E295 I297 R302	D235-P286 WeakPolarHBondContact OD2-CD 3.4Å; D235-P286 WeakPolarHBondContact OD2-CG 3.46Å; P286-E295 WeakPolarHBondContact CB-O 3.43Å; P286-E295 WeakPolarHBondContact CG-O 3.2Å; P286-I297 HydrophobicContact CB-CG1 4.2Å; P286-I297 HydrophobicContact CB-CG2 3.99Å; P286-I297 HydrophobicContact CG-CG1 4.4Å; P286-R302 VanDerWaalsContact CD-NH2 3.33Å
287	R	96	Very high	94.9	Very high	73 Å²	73	39 Å²	39	28%	0.275	21%	0.205	S	C	.	.			trans	-105.2	138.4	163.1	-175.7	174	67.7	125.7	4.8	108.5	E260 N271 I273 N289 N293	E260-R287 VanDerWaalsContact OE2-CD 3.3Å; E260-R287 WeakPolarHBondContact OE2-CD 3.09Å; E260-R287 IonicContact OE2-CZ 3.85Å; E260-R287 IonicContact OE2-NE 2.93Å; E260-R287 IonicContact OE2-NH1 3.85Å; E260-R287 PolarHBondContact OE2-NH1 3.42Å; N271-R287 HydrophobicContact CB-CB 3.97Å; N271-R287 PolarHBondContact ND2-NH2 2.75Å; N271-R287 PolarHBondContact O-N 2.79Å; I273-R287 HydrophobicContact CD1-CB 4.3Å; I273-R287 HydrophobicContact CD1-CG 4.43Å; I273-R287 HydrophobicContact CG1-CB 3.77Å; I273-R287 HydrophobicContact CG1-CG 4.26Å; R287-N289 PolarHBondContact O-N 3.39Å; R287-N293 PolarHBondContact O-ND2 3.47Å
288	V	95.7	Very high	95	Very high	84 Å²	84	35.7 Å²	35.7	51%	0.509	19%	0.193	S	C	.	.			trans	-64	122.9	-179	-173.4	0	0	0	0	110.7	E294 E295	V288-E294 CarbonylContact C-O 3.59Å; V288-E294 WeakPolarHBondContact CA-O 3.28Å; V288-E295 HydrophobicContact CB-CG 4.42Å; V288-E295 HydrophobicContact CG1-CG 4.02Å; V288-E295 HydrophobicContact CG2-CG 3.9Å
289	N	95.3	Very high	95.2	Very high	31 Å²	31	29.4 Å²	29.4	17%	0.166	15%	0.154	C	C	.	.	B	Isolated β-bridge	trans	-147.9	103.2	169.2	-176.9	0.6	0	0	0	110.9	N271 R287 E291 I292 N293 E294	N271-N289 HydrophobicContact CB-CB 4.2Å; N271-N289 WeakPolarHBondContact ND2-CB 3.46Å; N271-N289 PolarHBondContact ND2-ND2 2.65Å; R287-N289 PolarHBondContact O-N 3.39Å; N289-E291 PolarHBondContact O-N 3.14Å; N289-E291 VanDerWaalsContact O-N 3.12Å; N289-E291 PolarHBondContact OD1-N 2.84Å; N289-I292 WeakPolarHBondContact ND2-CD1 3.45Å; N289-I292 PolarHBondContact O-N 3.15Å; N289-I292 VanDerWaalsContact O-N 3.14Å; N289-N293 PolarHBondContact O-N 2.89Å; N289-N293 VanDerWaalsContact O-N 3.12Å; N289-E294 PolarHBondContact N-O 2.98Å; N289-E294 WeakPolarHBondContact O-CA 3.37Å; N289-E294 PolarHBondContact O-N 2.7Å
290	E	94.2	Very high	95.5	Very high	83 Å²	83	28.3 Å²	28.3	39%	0.388	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-25	179.2	-68.2	-60.8	154.6	0	0	114.1	K75 V403 R428	K75-E290 WeakPolarHBondContact CE-OE1 3.49Å; K75-E290 IonicContact NZ-OE1 2.65Å; K75-E290 PolarHBondContact NZ-OE1 3.16Å; K75-E290 IonicContact NZ-OE2 2.75Å; K75-E290 PolarHBondContact NZ-OE2 2.9Å; E290-V403 WeakPolarHBondContact O-CG2 3.35Å; E290-R428 PolarHBondContact O-NH2 2.99Å
291	E	94	Very high	95.7	Very high	71 Å²	71	24.2 Å²	24.2	33%	0.332	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-18.2	-177.6	-60.5	-169.9	-172.7	0	0	113.4	N289 V403 R611	N289-E291 PolarHBondContact O-N 3.14Å; N289-E291 VanDerWaalsContact O-N 3.12Å; N289-E291 PolarHBondContact OD1-N 2.84Å; E291-V403 HydrophobicContact CB-CG2 4.48Å; E291-R611 IonicContact OE2-CZ 2.67Å; E291-R611 IonicContact OE2-NH1 3.3Å; E291-R611 PolarHBondContact OE2-NH1 2.86Å; E291-R611 IonicContact OE2-NH2 3.53Å; E291-R611 PolarHBondContact OE2-NH2 3.5Å
292	I	94.5	Very high	95.8	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-124.3	-85.1	-176.4	-56.9	177	0	0	0	108.6	V268 N289 I402 R428	V268-I292 HydrophobicContact CG1-CG2 3.6Å; N289-I292 WeakPolarHBondContact ND2-CD1 3.45Å; N289-I292 PolarHBondContact O-N 3.15Å; N289-I292 VanDerWaalsContact O-N 3.14Å; I292-I402 HydrophobicContact CB-CD1 4.45Å; I292-I402 HydrophobicContact CG2-CD1 4Å; I292-R428 PolarHBondContact O-NH2 3.31Å
293	N	94.8	Very high	95.8	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.6	1.6	-162.1	67.2	-61.5	0	0	0	115.5	N271 R287 N289 E295 W296 V424	N271-N293 PolarHBondContact N-OD1 3.47Å; N271-N293 PolarHBondContact O-ND2 3.32Å; R287-N293 PolarHBondContact O-ND2 3.47Å; N289-N293 PolarHBondContact O-N 2.89Å; N289-N293 VanDerWaalsContact O-N 3.12Å; N293-E295 PolarHBondContact O-N 2.8Å; N293-W296 VanDerWaalsContact CB-O 3.27Å; N293-W296 WeakPolarHBondContact CB-O 3.39Å; N293-W296 PolarHBondContact ND2-O 2.99Å; N293-W296 PolarHBondContact O-N 2.85Å; N293-V424 VanDerWaalsContact CA-CG1 3.46Å; N293-V424 HydrophobicContact CB-CG1 3.65Å
294	E	93.4	Very high	95.8	Very high	6 Å²	6	23.3 Å²	23.3	3%	0.028	11%	0.114	C	C	.	.	B	Isolated β-bridge	trans	51.5	-100.1	-166.3	-55.7	-169.1	125.7	0	0	109.3	K75 V288 N289 R428 K431	K75-E294 IonicContact NZ-OE1 2.89Å; K75-E294 PolarHBondContact NZ-OE1 2.87Å; V288-E294 CarbonylContact C-O 3.59Å; V288-E294 WeakPolarHBondContact CA-O 3.28Å; N289-E294 PolarHBondContact N-O 2.98Å; N289-E294 WeakPolarHBondContact O-CA 3.37Å; N289-E294 PolarHBondContact O-N 2.7Å; E294-R428 IonicContact OE1-CZ 2.7Å; E294-R428 IonicContact OE1-NH1 3.35Å; E294-R428 PolarHBondContact OE1-NH1 2.93Å; E294-R428 VanDerWaalsContact OE1-NH1 3.16Å; E294-K431 IonicContact OE1-NZ 3.72Å; E294-K431 PolarHBondContact OE1-NZ 3.3Å
295	E	94.2	Very high	95.7	Very high	44 Å²	44	23.5 Å²	23.5	21%	0.206	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-130.3	8.8	179.7	-52.2	-173.1	138.7	0	0	111.5	H73 P286 V288 N293	H73-E295 IonicContact CE1-OE2 3.51Å; H73-E295 PolarHBondContact CE1-OE2 2.76Å; H73-E295 IonicContact NE2-OE2 3.16Å; H73-E295 PolarHBondContact NE2-OE2 3.49Å; P286-E295 WeakPolarHBondContact CB-O 3.43Å; P286-E295 WeakPolarHBondContact CG-O 3.2Å; V288-E295 HydrophobicContact CB-CG 4.42Å; V288-E295 HydrophobicContact CG1-CG 4.02Å; V288-E295 HydrophobicContact CG2-CG 3.9Å; N293-E295 PolarHBondContact O-N 2.8Å
296	W	97	Very high	95.7	Very high	8 Å²	8	23 Å²	23	3%	0.03	11%	0.112	C	C	.	.			trans	-105	152.1	-172.5	-43.9	123.9	0	0	0	111.5	H73 K75 F196 I200 N232 L236 N293	H73-W296 AromaticContact CE1-CH2 3.57Å; K75-W296 HydrophobicContact CB-CZ2 3.71Å; K75-W296 HydrophobicContact CG-CZ2 4.34Å; F196-W296 HydrophobicContact CD2-CE3 4.49Å; F196-W296 AromaticContact CD2-CH2 3.94Å; F196-W296 HydrophobicContact CD2-CH2 3.94Å; F196-W296 HydrophobicContact CD2-CZ2 4.17Å; F196-W296 HydrophobicContact CD2-CZ3 4.12Å; F196-W296 AromaticContact CE2-CD2 3.88Å; F196-W296 HydrophobicContact CE2-CD2 3.88Å; F196-W296 AromaticContact CE2-CE3 3.75Å; F196-W296 HydrophobicContact CE2-CE3 3.75Å; F196-W296 AromaticContact CE2-CH2 3.98Å; F196-W296 HydrophobicContact CE2-CH2 3.98Å; F196-W296 HydrophobicContact CE2-CZ2 4.09Å; F196-W296 AromaticContact CE2-CZ3 3.81Å; F196-W296 HydrophobicContact CE2-CZ3 3.81Å; F196-W296 HydrophobicContact CZ-CE3 4.48Å; I200-W296 HydrophobicContact CD1-CH2 4.37Å; I200-W296 HydrophobicContact CD1-CZ2 3.38Å; N232-W296 HydrophobicContact CB-CE3 3.88Å; N232-W296 HydrophobicContact CB-CZ3 4.37Å; L236-W296 HydrophobicContact CD1-CH2 3.87Å; L236-W296 HydrophobicContact CD1-CZ3 3.77Å; L236-W296 HydrophobicContact CD2-CH2 3.47Å; L236-W296 VanDerWaalsContact CD2-CH2 3.47Å; L236-W296 HydrophobicContact CD2-CZ3 3.72Å; L236-W296 HydrophobicContact CG-CH2 3.92Å; L236-W296 HydrophobicContact CG-CZ3 3.7Å; N293-W296 VanDerWaalsContact CB-O 3.27Å; N293-W296 WeakPolarHBondContact CB-O 3.39Å; N293-W296 PolarHBondContact ND2-O 2.99Å; N293-W296 PolarHBondContact O-N 2.85Å
297	I	97.7	Very high	95.6	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.107	C	C	.	.			trans	-139.6	158.7	167.1	50.3	171.3	0	0	0	109.4	L229 N232 I272 I284 P286 T301 R302	L229-I297 VanDerWaalsContact CD2-O 3.32Å; L229-I297 WeakPolarHBondContact CD2-O 3.17Å; N232-I297 PolarHBondContact ND2-O 2.67Å; N232-I297 PolarHBondContact OD1-N 3.5Å; N232-I297 PolarHBondContact OD1-O 3.17Å; N232-I297 VanDerWaalsContact OD1-O 3.12Å; I272-I297 HydrophobicContact CG2-CG2 3.96Å; I284-I297 HydrophobicContact CG2-CD1 4.36Å; P286-I297 HydrophobicContact CB-CG1 4.2Å; P286-I297 HydrophobicContact CB-CG2 3.99Å; P286-I297 HydrophobicContact CG-CG1 4.4Å; I297-T301 HydrophobicContact CB-CG2 4.03Å; I297-T301 HydrophobicContact CD1-CG2 4.09Å; I297-T301 HydrophobicContact CG2-CG2 4.15Å; I297-R302 HydrophobicContact CD1-CB 3.82Å; I297-R302 HydrophobicContact CD1-CG 4.23Å; I297-R302 HydrophobicContact CG1-CB 4.34Å
298	S	97	Very high	95.5	Very high	1 Å²	1	19 Å²	19	1%	0.007	10%	0.095	C	C	.	.			trans	-68.1	156.6	175.3	82	0	0	0	0	112.2	K300 T301 R302	S298-K300 PolarHBondContact O-N 3.33Å; S298-K300 PolarHBondContact OG-N 3.46Å; S298-T301 WeakPolarHBondContact O-CB 3.5Å; S298-T301 PolarHBondContact O-N 2.89Å; S298-T301 PolarHBondContact OG-N 3.07Å; S298-T301 PolarHBondContact OG-OG1 3.08Å; S298-R302 WeakPolarHBondContact O-CB 3.4Å; S298-R302 PolarHBondContact O-N 3.04Å
299	D	96.5	Very high	95.4	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-63	-31	173	-74.6	-15.5	0	0	0	111.8	S227 E228 S230 G231 R302 F303 Y706	S227-D299 VanDerWaalsContact O-OD2 3.05Å; E228-D299 WeakPolarHBondContact O-CB 3.06Å; E228-D299 PolarHBondContact O-N 3.39Å; S230-D299 WeakPolarHBondContact CB-OD2 3.27Å; S230-D299 PolarHBondContact N-OD1 2.93Å; S230-D299 PolarHBondContact N-OD2 3.07Å; S230-D299 PolarHBondContact OG-OD2 2.63Å; G231-D299 WeakPolarHBondContact CA-OD1 3.46Å; G231-D299 PolarHBondContact N-OD1 2.78Å; G231-D299 PolarHBondContact N-OD2 3.34Å; D299-R302 PolarHBondContact O-N 3.44Å; D299-F303 HydrophobicContact CB-CD2 4.23Å; D299-F303 HydrophobicContact CB-CE2 4.43Å; D299-F303 WeakPolarHBondContact O-CD2 3.34Å; D299-F303 PolarHBondContact O-N 3.28Å; D299-Y706 HydrophobicContact CB-CE1 4.18Å
300	K	95.5	Very high	95.4	Very high	23 Å²	23	23.9 Å²	23.9	10%	0.1	10%	0.104	C	C	.	.	H	α-helix	trans	-59.3	-54.1	171.9	-173	-177.1	-67.6	-178.3	0	110.5	M265 S298 R302 F303 A304 F705 T712	M265-K300 HydrophobicContact CB-CD 3.86Å; M265-K300 HydrophobicContact CB-CG 3.99Å; M265-K300 HydrophobicContact CG-CD 4.49Å; M265-K300 HydrophobicContact CG-CG 4.19Å; M265-K300 HydrophobicContact SD-CG 4.26Å; S298-K300 PolarHBondContact O-N 3.33Å; S298-K300 PolarHBondContact OG-N 3.46Å; K300-R302 VanDerWaalsContact C-N 3.31Å; K300-R302 PolarHBondContact O-N 3.45Å; K300-F303 PolarHBondContact O-N 3Å; K300-A304 WeakPolarHBondContact O-CB 3.26Å; K300-A304 PolarHBondContact O-N 3.42Å; K300-F705 HydrophobicContact CB-CE1 4.18Å; K300-F705 HydrophobicContact CB-CE2 4.42Å; K300-F705 HydrophobicContact CB-CZ 3.75Å; K300-F705 WeakPolarHBondContact CE-O 3.4Å; K300-F705 PolarHBondContact NZ-O 2.88Å; K300-T712 HydrophobicContact CD-CG2 3.81Å; K300-T712 HydrophobicContact CG-CG2 3.5Å; K300-T712 VanDerWaalsContact CG-CG2 3.5Å
301	T	96.7	Very high	95.3	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-54.9	-46.1	175.8	-47.5	0	0	0	0	112	D263 I272 I297 S298	D263-T301 HydrophobicContact CB-CG2 3.63Å; D263-T301 VanDerWaalsContact OD2-CB 3.27Å; D263-T301 WeakPolarHBondContact OD2-CB 3.4Å; D263-T301 WeakPolarHBondContact OD2-CG2 3.42Å; D263-T301 PolarHBondContact OD2-OG1 3.02Å; I272-T301 HydrophobicContact CG2-CG2 3.8Å; I297-T301 HydrophobicContact CB-CG2 4.03Å; I297-T301 HydrophobicContact CD1-CG2 4.09Å; I297-T301 HydrophobicContact CG2-CG2 4.15Å; S298-T301 WeakPolarHBondContact O-CB 3.5Å; S298-T301 PolarHBondContact O-N 2.89Å; S298-T301 PolarHBondContact OG-N 3.07Å; S298-T301 PolarHBondContact OG-OG1 3.08Å
302	R	96.8	Very high	95.4	Very high	9 Å²	9	23.8 Å²	23.8	3%	0.034	10%	0.102	C	C	.	.	H	α-helix	trans	-70.1	-36	-172.2	-173.6	175.4	-68.4	-88.2	3	113.2	N232 D235 P286 I297 S298 D299 K300 Y305	N232-R302 PolarHBondContact OD1-NH2 3.34Å; D235-R302 IonicContact OD1-CZ 2.88Å; D235-R302 IonicContact OD1-NH1 3.84Å; D235-R302 PolarHBondContact OD1-NH1 2.95Å; D235-R302 IonicContact OD2-CZ 2.76Å; D235-R302 IonicContact OD2-NH1 3.86Å; D235-R302 PolarHBondContact OD2-NH1 3.37Å; D235-R302 IonicContact OD2-NH2 3.31Å; D235-R302 PolarHBondContact OD2-NH2 2.67Å; P286-R302 VanDerWaalsContact CD-NH2 3.33Å; I297-R302 HydrophobicContact CD1-CB 3.82Å; I297-R302 HydrophobicContact CD1-CG 4.23Å; I297-R302 HydrophobicContact CG1-CB 4.34Å; S298-R302 WeakPolarHBondContact O-CB 3.4Å; S298-R302 PolarHBondContact O-N 3.04Å; D299-R302 PolarHBondContact O-N 3.44Å; K300-R302 VanDerWaalsContact C-N 3.31Å; K300-R302 PolarHBondContact O-N 3.45Å; R302-Y305 WeakPolarHBondContact O-CD1 3.49Å; R302-Y305 VanDerWaalsContact O-CE1 3.32Å; R302-Y305 WeakPolarHBondContact O-CE1 3.39Å
303	F	96.9	Very high	95.4	Very high	2 Å²	2	24.3 Å²	24.3	1%	0.009	11%	0.105	C	C	.	.	H	α-helix	trans	-116.6	-7.2	-169.1	-59	-68.4	0	0	0	115.3	V179 I234 P246 D299 K300 Y305 T717 M718	V179-F303 HydrophobicContact CB-CE2 4.3Å; V179-F303 HydrophobicContact CB-CZ 4.5Å; V179-F303 HydrophobicContact CG1-CD1 4.42Å; V179-F303 HydrophobicContact CG1-CD2 3.57Å; V179-F303 HydrophobicContact CG1-CE1 3.86Å; V179-F303 HydrophobicContact CG1-CE2 2.94Å; V179-F303 HydrophobicContact CG1-CG 4.29Å; V179-F303 HydrophobicContact CG1-CZ 3.1Å; V179-F303 HydrophobicContact CG2-CD2 4.43Å; I234-F303 HydrophobicContact CD1-CE1 4.48Å; I234-F303 HydrophobicContact CD1-CZ 3.91Å; P246-F303 HydrophobicContact CB-CD1 4.44Å; P246-F303 HydrophobicContact CG-CD1 3.83Å; P246-F303 HydrophobicContact CG-CE1 4.27Å; D299-F303 HydrophobicContact CB-CD2 4.23Å; D299-F303 HydrophobicContact CB-CE2 4.43Å; D299-F303 WeakPolarHBondContact O-CD2 3.34Å; D299-F303 PolarHBondContact O-N 3.28Å; K300-F303 PolarHBondContact O-N 3Å; F303-Y305 HydrophobicContact CD1-CE1 4.44Å; F303-Y305 PolarHBondContact O-N 3.31Å; F303-Y305 VanDerWaalsContact O-N 3.15Å; F303-T717 HydrophobicContact CB-CG2 3.85Å; F303-T717 HydrophobicContact CG-CG2 4.34Å; F303-M718 HydrophobicContact CB-CE 3.63Å
304	A	95	Very high	95.4	Very high	0 Å²	0	27 Å²	27	0%	0	12%	0.122	C	C	.	.	G	3₁₀ helix	trans	-70.1	-4.5	177.5	0	0	0	0	0	114.6	M265 K300 D306 G307 I711 T712	M265-A304 HydrophobicContact CE-CB 3.47Å; M265-A304 VanDerWaalsContact CE-CB 3.47Å; M265-A304 HydrophobicContact SD-CB 3.91Å; K300-A304 WeakPolarHBondContact O-CB 3.26Å; K300-A304 PolarHBondContact O-N 3.42Å; A304-D306 PolarHBondContact O-N 2.67Å; A304-G307 PolarHBondContact O-N 3.45Å; A304-I711 HydrophobicContact CB-CG2 4.28Å; A304-I711 WeakPolarHBondContact O-CG2 3.45Å; A304-T712 HydrophobicContact CB-CG2 4.22Å
305	Y	95.8	Very high	95.5	Very high	8 Å²	8	28.1 Å²	28.1	3%	0.031	13%	0.13	C	C	.	.	G	3₁₀ helix	trans	-65.1	-20.4	-180	69.9	-91.9	0	0	0	114.1	M282 I284 R302 F303 G307 L308	M282-Y305 WeakPolarHBondContact O-CE2 3.44Å; M282-Y305 PolarHBondContact O-OH 3.42Å; I284-Y305 HydrophobicContact CG1-CD1 4.41Å; I284-Y305 HydrophobicContact CG1-CG 4.5Å; R302-Y305 WeakPolarHBondContact O-CD1 3.49Å; R302-Y305 VanDerWaalsContact O-CE1 3.32Å; R302-Y305 WeakPolarHBondContact O-CE1 3.39Å; F303-Y305 HydrophobicContact CD1-CE1 4.44Å; F303-Y305 PolarHBondContact O-N 3.31Å; F303-Y305 VanDerWaalsContact O-N 3.15Å; Y305-G307 VanDerWaalsContact C-N 3.33Å; Y305-L308 WeakPolarHBondContact O-CB 3.48Å; Y305-L308 PolarHBondContact O-N 3.39Å
306	D	95.2	Very high	95.6	Very high	23 Å²	23	26 Å²	26	12%	0.123	12%	0.12	C	C	.	.	G	3₁₀ helix	trans	-72.8	-28.5	172.8	68.5	-23.6	0	0	0	112	A304 L308 K309 S715 V716 T717	A304-D306 PolarHBondContact O-N 2.67Å; D306-L308 VanDerWaalsContact C-N 3.3Å; D306-L308 PolarHBondContact O-N 3.34Å; D306-K309 PolarHBondContact O-N 2.87Å; D306-S715 WeakPolarHBondContact OD1-CB 3.38Å; D306-S715 PolarHBondContact OD1-OG 3.41Å; D306-S715 PolarHBondContact OD2-OG 2.85Å; D306-V716 PolarHBondContact OD2-N 2.96Å; D306-V716 VanDerWaalsContact OD2-N 3.16Å; D306-T717 VanDerWaalsContact OD2-CB 3.28Å; D306-T717 WeakPolarHBondContact OD2-CB 3.41Å; D306-T717 PolarHBondContact OD2-N 3.23Å; D306-T717 PolarHBondContact OD2-OG1 3.34Å
307	G	95.1	Very high	95.6	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	13%	0.128	C	C	.	.	G	3₁₀ helix	trans	-60.6	-39.5	171.1	0	0	0	0	0	111.7	A304 Y305 K309 R310 H581	A304-G307 PolarHBondContact O-N 3.45Å; Y305-G307 VanDerWaalsContact C-N 3.33Å; G307-K309 PolarHBondContact O-N 3.31Å; G307-R310 PolarHBondContact O-N 2.92Å; G307-H581 PolarHBondContact O-NE2 2.84Å
308	L	95	Very high	95.4	Very high	5 Å²	5	29 Å²	29	3%	0.026	14%	0.136	C	C	.	.	G	3₁₀ helix	trans	-61.4	-13.2	178.2	-63.5	176.2	0	0	0	114.7	L281 Y305 D306 R312 A597 Y598 T599 I711	L281-L308 HydrophobicContact CD1-CB 4.06Å; L281-L308 HydrophobicContact CD1-CD1 3.5Å; L281-L308 VanDerWaalsContact CD1-CD1 3.5Å; L281-L308 HydrophobicContact CD1-CG 4.44Å; Y305-L308 WeakPolarHBondContact O-CB 3.48Å; Y305-L308 PolarHBondContact O-N 3.39Å; D306-L308 VanDerWaalsContact C-N 3.3Å; D306-L308 PolarHBondContact O-N 3.34Å; L308-R312 WeakPolarHBondContact O-CD 3.32Å; L308-R312 WeakPolarHBondContact O-CG 3.37Å; L308-R312 PolarHBondContact O-NH1 3Å; L308-A597 HydrophobicContact CD2-CB 3.74Å; L308-Y598 HydrophobicContact CD1-CE1 3.85Å; L308-Y598 HydrophobicContact CD2-CD1 4.45Å; L308-Y598 HydrophobicContact CD2-CE1 4.13Å; L308-Y598 HydrophobicContact CG-CE1 4.48Å; L308-T599 HydrophobicContact CD1-CG2 3.59Å; L308-I711 HydrophobicContact CD2-CD1 3.96Å; L308-I711 HydrophobicContact CD2-CG1 4.24Å; L308-I711 HydrophobicContact CD2-CG2 3.84Å; L308-I711 HydrophobicContact CG-CG2 4.04Å
309	K	93	Very high	95.3	Very high	88 Å²	88	31.6 Å²	31.6	38%	0.383	15%	0.145	S	C	.	.	G	3₁₀ helix	trans	-97.3	-13.8	176.6	-59.3	-178.4	-174.5	178.6	0	113.2	E280 L281 D306 G307	E280-K309 HydrophobicContact CG-CD 4.42Å; E280-K309 WeakPolarHBondContact OE1-CE 3.39Å; E280-K309 IonicContact OE1-NZ 2.86Å; E280-K309 PolarHBondContact OE1-NZ 3.34Å; L281-K309 WeakPolarHBondContact O-CE 3.32Å; L281-K309 PolarHBondContact O-NZ 2.8Å; D306-K309 PolarHBondContact O-N 2.87Å; G307-K309 PolarHBondContact O-N 3.31Å
310	R	94.2	Very high	95	Very high	130 Å²	130	33.8 Å²	33.8	49%	0.491	16%	0.157	S	C	.	.	S	Bend	trans	-112	148.8	-171.5	-70.6	176.3	60.9	113	-0	110.7	G307 R312 H581 A714	G307-R310 PolarHBondContact O-N 2.92Å; R310-R312 PolarHBondContact O-N 3.38Å; R310-H581 PolarHBondContact O-CD2 2.95Å; R310-H581 PolarHBondContact O-NE2 2.64Å; R310-A714 WeakPolarHBondContact CD-O 3.38Å; R310-A714 PolarHBondContact NE-O 2.59Å
311	Q	93.6	Very high	94.4	Very high	122 Å²	122	42.7 Å²	42.7	57%	0.57	20%	0.199	S	C	*	.	S	Bend	trans	50.2	30.9	177.2	-66.4	180	-26.8	0	0	114.3	H581 G582	Q311-H581 WeakPolarHBondContact O-CA 3.17Å; Q311-G582 PolarHBondContact O-N 2.82Å
312	R	95.7	Very high	93.9	Very high	30 Å²	30	49 Å²	49	11%	0.113	23%	0.228	C	C	.	.	B	Isolated β-bridge	trans	-75.2	139.7	-179.9	-68.8	-60.5	-56.7	-75.8	-1.9	111.5	L308 R310 V314 H580 H581 E600 P622	L308-R312 WeakPolarHBondContact O-CD 3.32Å; L308-R312 WeakPolarHBondContact O-CG 3.37Å; L308-R312 PolarHBondContact O-NH1 3Å; R310-R312 PolarHBondContact O-N 3.38Å; R312-V314 PolarHBondContact O-N 3.37Å; R312-H580 WeakPolarHBondContact CA-O 3.33Å; R312-H580 WeakPolarHBondContact CD-O 3.33Å; R312-H580 PolarHBondContact NE-O 3.07Å; R312-H581 VanDerWaalsContact CD-NE2 3.3Å; R312-H581 WeakPolarHBondContact CD-NE2 3.39Å; R312-E600 IonicContact CZ-OE1 2.68Å; R312-E600 IonicContact CZ-OE2 2.72Å; R312-E600 IonicContact NH1-OE1 2.7Å; R312-E600 PolarHBondContact NH1-OE1 2.9Å; R312-E600 IonicContact NH1-OE2 3.22Å; R312-E600 VanDerWaalsContact NH2-CD 3.33Å; R312-E600 IonicContact NH2-OE1 3.53Å; R312-E600 PolarHBondContact NH2-OE1 3.37Å; R312-E600 VanDerWaalsContact NH2-OE1 3.13Å; R312-E600 IonicContact NH2-OE2 3.4Å; R312-E600 PolarHBondContact NH2-OE2 3.44Å; R312-P622 HydrophobicContact CB-CG 4.07Å; R312-P622 HydrophobicContact CG-CG 4.45Å
313	L	95.1	Very high	93.4	Very high	12 Å²	12	53.8 Å²	53.8	6%	0.063	26%	0.255	C	S	.	.			trans	-81.2	114.1	173.6	-60.6	-179.9	0	0	0	109.3	Y577 G579 H580 H581 L592 P594	L313-Y577 HydrophobicContact CD1-CD1 4.15Å; L313-Y577 HydrophobicContact CD1-CE1 3.66Å; L313-G579 WeakPolarHBondContact CD1-O 3.43Å; L313-H580 PolarHBondContact N-O 2.68Å; L313-H581 VanDerWaalsContact CD1-O 3.29Å; L313-H581 WeakPolarHBondContact CD1-O 3.32Å; L313-L592 HydrophobicContact CB-CD2 4.16Å; L313-L592 HydrophobicContact CD1-CD1 3.83Å; L313-L592 HydrophobicContact CD1-CD2 3.88Å; L313-L592 HydrophobicContact CD1-CG 3.98Å; L313-L592 HydrophobicContact CD2-CD1 3.66Å; L313-L592 HydrophobicContact CD2-CD2 4.09Å; L313-L592 HydrophobicContact CD2-CG 4.42Å; L313-L592 HydrophobicContact CG-CD1 4.34Å; L313-L592 HydrophobicContact CG-CD2 4.25Å; L313-P594 HydrophobicContact CB-CB 3.9Å; L313-P594 WeakPolarHBondContact O-CB 3.39Å
314	V	94.7	Very high	93.1	Very high	56 Å²	56	59.8 Å²	59.8	34%	0.339	28%	0.281	S	S	.	.			trans	-106	-26.6	-172.1	-64.8	0	0	0	0	113.8	R312 P622 I624 A625	R312-V314 PolarHBondContact O-N 3.37Å; V314-P622 HydrophobicContact CG1-CB 4.14Å; V314-P622 HydrophobicContact CG1-CG 4.43Å; V314-I624 WeakPolarHBondContact O-CG1 3.37Å; V314-I624 PolarHBondContact O-N 3Å; V314-A625 PolarHBondContact O-N 3Å
315	S	94.8	Very high	93	Very high	29 Å²	29	62.6 Å²	62.6	20%	0.203	30%	0.295	C	S	.	.	S	Bend	trans	-142.6	148	-175.6	-64	0	0	0	0	110.5
316	P	96.6	Very high	92.9	Very high	0 Å²	0	67.9 Å²	67.9	0%	0	32%	0.321	C	S	.	.			trans	-57.3	145.3	170.1	-21.2	32.6	0	0	0	111.3	C328 W330 A333 L592 P594 I624	P316-C328 PolarHBondContact O-N 2.92Å; P316-W330 HydrophobicContact CG-CD2 3.68Å; P316-W330 HydrophobicContact CG-CE3 4.06Å; P316-W330 HydrophobicContact CG-CG 4.05Å; P316-W330 HydrophobicContact CG-CH2 4.37Å; P316-W330 HydrophobicContact CG-CZ2 4.05Å; P316-W330 HydrophobicContact CG-CZ3 4.39Å; P316-A333 HydrophobicContact CB-CB 3.91Å; P316-L592 VanDerWaalsContact CA-O 3.24Å; P316-L592 WeakPolarHBondContact CA-O 3.34Å; P316-P594 HydrophobicContact CG-CG 4.16Å; P316-I624 VanDerWaalsContact CD-CD1 3.45Å; P316-I624 HydrophobicContact CG-CD1 4.48Å
317	M	96.1	Very high	92.9	Very high	39 Å²	39	72.1 Å²	72.1	19%	0.192	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	140.5	176.7	-55.4	178.2	-170.5	0	0	110.5	L325 Q326 L327 L591 L592	M317-L325 HydrophobicContact CB-CB 4.04Å; M317-L325 HydrophobicContact CB-CD2 4.25Å; M317-L325 HydrophobicContact SD-CB 4.06Å; M317-Q326 CarbonylContact C-O 3.24Å; M317-Q326 WeakPolarHBondContact CA-O 3.3Å; M317-L327 HydrophobicContact CE-CD2 3.72Å; M317-L327 HydrophobicContact CG-CD2 4.06Å; M317-L591 WeakPolarHBondContact O-CA 3.35Å; M317-L592 HydrophobicContact CB-CB 4.09Å; M317-L592 PolarHBondContact N-O 2.96Å; M317-L592 VanDerWaalsContact N-O 3.12Å; M317-L592 PolarHBondContact O-N 3.39Å
318	I	95.4	Very high	92.8	Very high	32 Å²	32	72.6 Å²	72.6	16%	0.164	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	138.3	174.7	-66.9	162.5	0	0	0	108.4	N320 Q326 C328 F336 L591	I318-N320 PolarHBondContact O-N 3.36Å; I318-Q326 PolarHBondContact N-O 3.33Å; I318-Q326 PolarHBondContact O-N 2.96Å; I318-C328 HydrophobicContact CD1-CB 3.95Å; I318-C328 VanDerWaalsContact CD1-SG 3.56Å; I318-C328 HydrophobicContact CG1-CB 4.39Å; I318-F336 HydrophobicContact CD1-CB 4.18Å; I318-F336 HydrophobicContact CD1-CD1 4.46Å; I318-F336 HydrophobicContact CD1-CG 4.36Å; I318-F336 HydrophobicContact CG1-CD1 4.34Å; I318-F336 HydrophobicContact CG2-CD1 4.27Å; I318-F336 HydrophobicContact CG2-CE1 3.98Å; I318-F336 HydrophobicContact CG2-CZ 4.23Å; I318-L591 HydrophobicContact CD1-CD1 4.38Å; I318-L591 HydrophobicContact CG1-CD1 3.51Å
319	R	93.4	Very high	92.8	Very high	55 Å²	55	77.4 Å²	77.4	21%	0.208	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	119.7	173.1	-170.1	169.7	-76.4	-97.3	1.7	110.1	N323 K324 L325 E587 C589 D590	R319-N323 VanDerWaalsContact CD-OD1 3.23Å; R319-N323 WeakPolarHBondContact CD-OD1 3.45Å; R319-N323 PolarHBondContact NH1-O 3.26Å; R319-N323 PolarHBondContact NH1-OD1 3.07Å; R319-K324 WeakPolarHBondContact CA-O 3.48Å; R319-L325 HydrophobicContact CB-CD2 4.09Å; R319-E587 PolarHBondContact NH2-O 3.26Å; R319-C589 PolarHBondContact NE-O 2.87Å; R319-C589 PolarHBondContact NH2-O 3.32Å; R319-D590 WeakPolarHBondContact CB-O 2.92Å; R319-D590 WeakPolarHBondContact CD-OD1 3.36Å; R319-D590 PolarHBondContact N-O 3.21Å
320	N	89.8	Confident	92.9	Very high	47 Å²	47	75.3 Å²	75.3	25%	0.251	36%	0.361	S	S	.	.			trans	-81.9	179.7	179.6	72.3	2.6	0	0	0	111.9	I318 E322 N323 K324	I318-N320 PolarHBondContact O-N 3.36Å; N320-E322 PolarHBondContact O-N 2.9Å; N320-E322 VanDerWaalsContact OD1-C 3.32Å; N320-E322 WeakPolarHBondContact OD1-CA 3.48Å; N320-E322 WeakPolarHBondContact OD1-CB 3.41Å; N320-E322 PolarHBondContact OD1-N 3.18Å; N320-N323 PolarHBondContact O-N 2.89Å; N320-N323 PolarHBondContact OD1-N 3.36Å; N320-N323 VanDerWaalsContact OD1-N 3.15Å; N320-K324 PolarHBondContact N-O 3.39Å; N320-K324 PolarHBondContact OD1-N 2.96Å; N320-K324 PolarHBondContact OD1-O 3.07Å; N320-K324 VanDerWaalsContact OD1-O 3.08Å
321	Q	84.1	Confident	92.9	Very high	210 Å²	210	76.9 Å²	76.9	98%	0.981	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-24.3	176.9	-65.4	178.7	-6.5	0	0	113.2	N323	Q321-N323 PolarHBondContact O-N 3.12Å
322	E	86.2	Confident	92.9	Very high	132 Å²	132	76.2 Å²	76.2	62%	0.617	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81	8.5	173.8	-56.5	-176.3	179.9	0	0	113.2	N320 K324	N320-E322 PolarHBondContact O-N 2.9Å; N320-E322 VanDerWaalsContact OD1-C 3.32Å; N320-E322 WeakPolarHBondContact OD1-CA 3.48Å; N320-E322 WeakPolarHBondContact OD1-CB 3.41Å; N320-E322 PolarHBondContact OD1-N 3.18Å; E322-K324 PolarHBondContact O-N 3.01Å; E322-K324 IonicContact OE2-NZ 3.77Å; E322-K324 PolarHBondContact OE2-NZ 2.97Å
323	N	85.7	Confident	92.9	Very high	109 Å²	109	74.8 Å²	74.8	58%	0.583	37%	0.366	S	S	*	.	S	Bend	trans	63.3	25.4	179.4	-147	3.7	0	0	0	113.8	R319 N320 Q321	R319-N323 VanDerWaalsContact CD-OD1 3.23Å; R319-N323 WeakPolarHBondContact CD-OD1 3.45Å; R319-N323 PolarHBondContact NH1-O 3.26Å; R319-N323 PolarHBondContact NH1-OD1 3.07Å; N320-N323 PolarHBondContact O-N 2.89Å; N320-N323 PolarHBondContact OD1-N 3.36Å; N320-N323 VanDerWaalsContact OD1-N 3.15Å; Q321-N323 PolarHBondContact O-N 3.12Å
324	K	91.8	Very high	92.9	Very high	129 Å²	129	75.8 Å²	75.8	56%	0.561	37%	0.371	S	S	*	.			trans	-110.4	144.3	175.6	-66.7	175.1	-173.6	159.1	0	110.6	R319 N320 E322 Q326	R319-K324 WeakPolarHBondContact CA-O 3.48Å; N320-K324 PolarHBondContact N-O 3.39Å; N320-K324 PolarHBondContact OD1-N 2.96Å; N320-K324 PolarHBondContact OD1-O 3.07Å; N320-K324 VanDerWaalsContact OD1-O 3.08Å; E322-K324 PolarHBondContact O-N 3.01Å; E322-K324 IonicContact OE2-NZ 3.77Å; E322-K324 PolarHBondContact OE2-NZ 2.97Å; K324-Q326 PolarHBondContact O-N 2.62Å
325	L	91.8	Very high	92.9	Very high	58 Å²	58	79.2 Å²	79.2	30%	0.304	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	118.3	172.7	-70.5	172.7	0	0	0	109.9	M317 R319	M317-L325 HydrophobicContact CB-CB 4.04Å; M317-L325 HydrophobicContact CB-CD2 4.25Å; M317-L325 HydrophobicContact SD-CB 4.06Å; R319-L325 HydrophobicContact CB-CD2 4.09Å
326	Q	93.8	Very high	92.7	Very high	120 Å²	120	80.1 Å²	80.1	56%	0.561	38%	0.382	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.9	135.5	176	-176.5	175.5	-3.6	0	0	109.8	M317 I318 K324 C328	M317-Q326 CarbonylContact C-O 3.24Å; M317-Q326 WeakPolarHBondContact CA-O 3.3Å; I318-Q326 PolarHBondContact N-O 3.33Å; I318-Q326 PolarHBondContact O-N 2.96Å; K324-Q326 PolarHBondContact O-N 2.62Å; Q326-C328 PolarHBondContact O-N 2.94Å
327	L	94.5	Very high	92.5	Very high	112 Å²	112	80.1 Å²	80.1	59%	0.586	38%	0.382	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58.8	134.4	175	-65.7	167.2	0	0	0	111	M317	M317-L327 HydrophobicContact CE-CD2 3.72Å; M317-L327 HydrophobicContact CG-CD2 4.06Å
328	C	93.5	Very high	92.3	Very high	10 Å²	10	79.7 Å²	79.7	7%	0.068	38%	0.38	C	S	.	.			trans	-137.7	163.4	176.1	69.2	0	0	0	0	112	P316 I318 Q326 Q332	P316-C328 PolarHBondContact O-N 2.92Å; I318-C328 HydrophobicContact CD1-CB 3.95Å; I318-C328 VanDerWaalsContact CD1-SG 3.56Å; I318-C328 HydrophobicContact CG1-CB 4.39Å; Q326-C328 PolarHBondContact O-N 2.94Å; C328-Q332 HydrophobicContact CB-CB 4.28Å
329	N	94.4	Very high	92.2	Very high	106 Å²	106	82.4 Å²	82.4	57%	0.567	39%	0.392	S	S	*	.			trans	-80.9	160.8	174	-67.3	-7.6	0	0	0	111	E331 Q332 A333	N329-E331 VanDerWaalsContact C-N 3.32Å; N329-E331 PolarHBondContact O-N 3.49Å; N329-Q332 PolarHBondContact O-N 2.97Å; N329-A333 PolarHBondContact O-N 2.97Å
330	W	95.7	Very high	92.1	Very high	43 Å²	43	83.3 Å²	83.3	16%	0.163	40%	0.398	C	S	.	.	H	α-helix	trans	-57.5	-40.6	178	-83.6	107.4	0	0	0	113.3	P316 Q332 A333 L334 L593 P594 I624 R626 I631	P316-W330 HydrophobicContact CG-CD2 3.68Å; P316-W330 HydrophobicContact CG-CE3 4.06Å; P316-W330 HydrophobicContact CG-CG 4.05Å; P316-W330 HydrophobicContact CG-CH2 4.37Å; P316-W330 HydrophobicContact CG-CZ2 4.05Å; P316-W330 HydrophobicContact CG-CZ3 4.39Å; W330-Q332 VanDerWaalsContact C-N 3.32Å; W330-Q332 PolarHBondContact O-N 2.7Å; W330-A333 PolarHBondContact O-N 3.14Å; W330-L334 WeakPolarHBondContact O-CB 3.41Å; W330-L334 VanDerWaalsContact O-CG 3.24Å; W330-L334 WeakPolarHBondContact O-CG 3.48Å; W330-L334 PolarHBondContact O-N 2.81Å; W330-L593 HydrophobicContact CH2-CB 4.3Å; W330-L593 HydrophobicContact CZ3-CB 4.43Å; W330-L593 HydrophobicContact CZ3-CD2 3.9Å; W330-P594 HydrophobicContact CH2-CG 4.35Å; W330-P594 HydrophobicContact CZ2-CG 3.82Å; W330-I624 PolarHBondContact NE1-O 2.96Å; W330-R626 HydrophobicContact CZ2-CB 4.3Å; W330-R626 HydrophobicContact CZ2-CG 3.98Å; W330-I631 HydrophobicContact CH2-CB 4.44Å; W330-I631 HydrophobicContact CH2-CD1 3.75Å; W330-I631 HydrophobicContact CH2-CG1 3.63Å; W330-I631 HydrophobicContact CH2-CG2 4.04Å; W330-I631 HydrophobicContact CZ2-CD1 4.38Å; W330-I631 HydrophobicContact CZ2-CG1 4.36Å; W330-I631 HydrophobicContact CZ3-CG1 4.22Å; W330-I631 HydrophobicContact CZ3-CG2 3.98Å
331	E	95.1	Very high	92.1	Very high	163 Å²	163	81.4 Å²	81.4	76%	0.762	39%	0.387	S	S	*	.	H	α-helix	trans	-59.8	-42.3	177.6	-65.8	174.2	-177.1	0	0	112.2	N329 F335	N329-E331 VanDerWaalsContact C-N 3.32Å; N329-E331 PolarHBondContact O-N 3.49Å; E331-F335 VanDerWaalsContact O-CB 3.25Å; E331-F335 WeakPolarHBondContact O-CB 3.37Å; E331-F335 PolarHBondContact O-N 2.74Å
332	Q	94.1	Very high	92.2	Very high	109 Å²	109	78.5 Å²	78.5	51%	0.509	37%	0.371	S	S	.	.	H	α-helix	trans	-67.4	-43.5	177.5	-68.2	174.9	-21.6	0	0	111.3	C328 N329 W330 F335 F336	C328-Q332 HydrophobicContact CB-CB 4.28Å; N329-Q332 PolarHBondContact O-N 2.97Å; W330-Q332 VanDerWaalsContact C-N 3.32Å; W330-Q332 PolarHBondContact O-N 2.7Å; Q332-F335 PolarHBondContact O-N 3.49Å; Q332-F336 WeakPolarHBondContact O-CB 3.5Å; Q332-F336 PolarHBondContact O-N 2.79Å
333	A	94.9	Very high	92.1	Very high	0 Å²	0	78.6 Å²	78.6	0%	0	38%	0.376	C	S	.	.	H	α-helix	trans	-60.2	-46.8	176.1	0	0	0	0	0	111.7	P316 N329 W330 F336 C337 L591 L593	P316-A333 HydrophobicContact CB-CB 3.91Å; N329-A333 PolarHBondContact O-N 2.97Å; W330-A333 PolarHBondContact O-N 3.14Å; A333-F336 PolarHBondContact O-N 2.69Å; A333-C337 PolarHBondContact O-N 3.26Å; A333-L591 HydrophobicContact CB-CD1 4.02Å; A333-L593 HydrophobicContact CB-CD2 4.07Å
334	L	94.7	Very high	92.2	Very high	33 Å²	33	74.8 Å²	74.8	17%	0.173	36%	0.355	C	S	.	.	H	α-helix	trans	-66.4	-39.7	178.5	-69.6	174.8	0	0	0	112.3	W330 F336 C337 N338 A634 V635 A638	W330-L334 WeakPolarHBondContact O-CB 3.41Å; W330-L334 VanDerWaalsContact O-CG 3.24Å; W330-L334 WeakPolarHBondContact O-CG 3.48Å; W330-L334 PolarHBondContact O-N 2.81Å; L334-F336 VanDerWaalsContact C-N 3.34Å; L334-C337 WeakPolarHBondContact O-CB 3.46Å; L334-C337 PolarHBondContact O-N 3.34Å; L334-N338 PolarHBondContact O-N 3.43Å; L334-A634 HydrophobicContact CD1-CB 4.31Å; L334-A634 HydrophobicContact CD2-CB 4.27Å; L334-V635 HydrophobicContact CD2-CB 4.37Å; L334-V635 HydrophobicContact CD2-CG2 3.65Å; L334-A638 HydrophobicContact CB-CB 3.95Å; L334-A638 HydrophobicContact CD2-CB 4.32Å
335	F	94	Very high	92	Very high	128 Å²	128	75 Å²	75	56%	0.561	36%	0.359	S	S	*	.	H	α-helix	trans	-62.8	-42	174.3	-179.8	-109.6	0	0	0	111.7	E331 Q332 N338 Q339	E331-F335 VanDerWaalsContact O-CB 3.25Å; E331-F335 WeakPolarHBondContact O-CB 3.37Å; E331-F335 PolarHBondContact O-N 2.74Å; Q332-F335 PolarHBondContact O-N 3.49Å; F335-N338 WeakPolarHBondContact O-CB 3.21Å; F335-N338 PolarHBondContact O-N 3.32Å; F335-Q339 HydrophobicContact CE1-CG 4.49Å; F335-Q339 PolarHBondContact O-N 3.47Å; F335-Q339 VanDerWaalsContact O-N 3.09Å
336	F	92.2	Very high	91.9	Very high	48 Å²	48	74.1 Å²	74.1	21%	0.211	36%	0.356	C	S	.	.	H	α-helix	trans	-66.2	-41	177	-167.8	-114.7	0	0	0	112.2	I318 Q332 A333 L334 N338 Q339 K340 F574	I318-F336 HydrophobicContact CD1-CB 4.18Å; I318-F336 HydrophobicContact CD1-CD1 4.46Å; I318-F336 HydrophobicContact CD1-CG 4.36Å; I318-F336 HydrophobicContact CG1-CD1 4.34Å; I318-F336 HydrophobicContact CG2-CD1 4.27Å; I318-F336 HydrophobicContact CG2-CE1 3.98Å; I318-F336 HydrophobicContact CG2-CZ 4.23Å; Q332-F336 WeakPolarHBondContact O-CB 3.5Å; Q332-F336 PolarHBondContact O-N 2.79Å; A333-F336 PolarHBondContact O-N 2.69Å; L334-F336 VanDerWaalsContact C-N 3.34Å; F336-N338 PolarHBondContact O-N 3.17Å; F336-Q339 PolarHBondContact O-N 3.31Å; F336-K340 WeakPolarHBondContact O-CG 3.23Å; F336-K340 PolarHBondContact O-N 3.25Å; F336-K340 VanDerWaalsContact O-N 3.16Å; F336-F574 HydrophobicContact CD1-CE2 4.27Å; F336-F574 AromaticContact CD1-CZ 3.79Å; F336-F574 HydrophobicContact CD1-CZ 3.79Å; F336-F574 AromaticContact CE1-CE2 3.39Å; F336-F574 HydrophobicContact CE1-CE2 3.39Å; F336-F574 AromaticContact CE1-CZ 3.37Å; F336-F574 HydrophobicContact CE1-CZ 3.37Å; F336-F574 AromaticContact CZ-CE2 3.99Å; F336-F574 HydrophobicContact CZ-CE2 3.99Å; F336-F574 HydrophobicContact CZ-CZ 4.31Å
337	C	91.7	Very high	91.5	Very high	0 Å²	0	75.1 Å²	75.1	0%	0	36%	0.361	C	S	.	.	H	α-helix	trans	-51.9	-54.5	168.5	-81.6	0	0	0	0	111	A333 L334 Q339 K340 F341 L591 V635	A333-C337 PolarHBondContact O-N 3.26Å; L334-C337 WeakPolarHBondContact O-CB 3.46Å; L334-C337 PolarHBondContact O-N 3.34Å; C337-Q339 VanDerWaalsContact C-N 3.32Å; C337-Q339 PolarHBondContact O-N 2.96Å; C337-K340 PolarHBondContact O-N 2.96Å; C337-F341 HydrophobicContact CB-CD2 4.27Å; C337-F341 HydrophobicContact CB-CE2 4.4Å; C337-F341 VanDerWaalsContact O-CD2 3.24Å; C337-F341 WeakPolarHBondContact O-CD2 3.23Å; C337-F341 PolarHBondContact O-N 3.34Å; C337-L591 WeakPolarHBondContact SG-CD2 3.14Å; C337-V635 HydrophobicContact CB-CG1 4.46Å
338	N	92.6	Very high	91.4	Very high	29 Å²	29	72.2 Å²	72.2	16%	0.155	35%	0.346	C	S	.	.	H	α-helix	trans	-54.5	-46.6	-178.2	-175.2	6.7	0	0	0	112.1	L334 F335 F336 K340 F341 K342 A638	L334-N338 PolarHBondContact O-N 3.43Å; F335-N338 WeakPolarHBondContact O-CB 3.21Å; F335-N338 PolarHBondContact O-N 3.32Å; F336-N338 PolarHBondContact O-N 3.17Å; N338-K340 VanDerWaalsContact C-N 3.31Å; N338-K340 PolarHBondContact O-N 2.75Å; N338-F341 PolarHBondContact O-N 2.99Å; N338-K342 WeakPolarHBondContact O-CG 3.45Å; N338-K342 PolarHBondContact O-N 2.75Å; N338-K342 VanDerWaalsContact O-N 3.08Å; N338-K342 WeakPolarHBondContact OD1-CD 3.28Å; N338-K342 WeakPolarHBondContact OD1-CE 3.3Å; N338-A638 WeakPolarHBondContact CB-O 3.24Å; N338-A638 PolarHBondContact ND2-O 3.1Å; N338-A638 PolarHBondContact OD1-O 3.21Å
339	Q	91.6	Very high	91.4	Very high	89 Å²	89	71.9 Å²	71.9	42%	0.416	34%	0.343	S	S	.	.	H	α-helix	trans	-59	-41.2	177.6	-70	-170.6	12	0	0	112.9	F335 F336 C337 N343	F335-Q339 HydrophobicContact CE1-CG 4.49Å; F335-Q339 PolarHBondContact O-N 3.47Å; F335-Q339 VanDerWaalsContact O-N 3.09Å; F336-Q339 PolarHBondContact O-N 3.31Å; C337-Q339 VanDerWaalsContact C-N 3.32Å; C337-Q339 PolarHBondContact O-N 2.96Å; Q339-N343 PolarHBondContact O-ND2 3.27Å
340	K	91.2	Very high	91.4	Very high	74 Å²	74	66.8 Å²	66.8	32%	0.322	32%	0.316	S	S	.	.	H	α-helix	trans	-73.1	-44	-178.6	-67.2	-66.8	-174.4	177.5	0	111.9	F336 C337 N338 K342 N343 I344 F574	F336-K340 WeakPolarHBondContact O-CG 3.23Å; F336-K340 PolarHBondContact O-N 3.25Å; F336-K340 VanDerWaalsContact O-N 3.16Å; C337-K340 PolarHBondContact O-N 2.96Å; N338-K340 VanDerWaalsContact C-N 3.31Å; N338-K340 PolarHBondContact O-N 2.75Å; K340-K342 VanDerWaalsContact C-N 3.32Å; K340-K342 PolarHBondContact O-N 3.02Å; K340-N343 PolarHBondContact O-N 3.41Å; K340-I344 WeakPolarHBondContact O-CD1 3.3Å; K340-I344 WeakPolarHBondContact O-CG1 3.48Å; K340-F574 HydrophobicContact CB-CD1 4.03Å; K340-F574 HydrophobicContact CB-CE1 3.98Å; K340-F574 HydrophobicContact CD-CD1 4.46Å; K340-F574 HydrophobicContact CD-CD2 4.16Å; K340-F574 HydrophobicContact CD-CE2 4.31Å; K340-F574 HydrophobicContact CD-CG 4.24Å; K340-F574 HydrophobicContact CG-CD1 4Å; K340-F574 HydrophobicContact CG-CD2 4.3Å; K340-F574 HydrophobicContact CG-CE1 3.77Å; K340-F574 HydrophobicContact CG-CE2 4.1Å; K340-F574 HydrophobicContact CG-CG 4.25Å; K340-F574 HydrophobicContact CG-CZ 3.83Å
341	F	90.3	Very high	91.4	Very high	8 Å²	8	64.8 Å²	64.8	4%	0.035	31%	0.308	C	S	.	.	H	α-helix	trans	-64	-34.2	178.4	-82.4	-77.2	0	0	0	113	C337 N338 N343 I344 M349 F368 L372 L552 Y554 I576 V635 V639	C337-F341 HydrophobicContact CB-CD2 4.27Å; C337-F341 HydrophobicContact CB-CE2 4.4Å; C337-F341 VanDerWaalsContact O-CD2 3.24Å; C337-F341 WeakPolarHBondContact O-CD2 3.23Å; C337-F341 PolarHBondContact O-N 3.34Å; N338-F341 PolarHBondContact O-N 2.99Å; F341-N343 PolarHBondContact O-N 3Å; F341-I344 PolarHBondContact O-N 2.91Å; F341-M349 HydrophobicContact CD1-CE 4.48Å; F341-M349 HydrophobicContact CD1-SD 4.14Å; F341-M349 HydrophobicContact CE1-SD 4.23Å; F341-F368 HydrophobicContact CD1-CZ 4.49Å; F341-F368 HydrophobicContact CE1-CE1 4.08Å; F341-F368 HydrophobicContact CE1-CZ 4.14Å; F341-F368 HydrophobicContact CE2-CZ 4.48Å; F341-F368 AromaticContact CZ-CE1 3.91Å; F341-F368 HydrophobicContact CZ-CE1 3.91Å; F341-F368 HydrophobicContact CZ-CZ 4.15Å; F341-L372 HydrophobicContact CD1-CD1 3.76Å; F341-L372 HydrophobicContact CE1-CD1 3.76Å; F341-L552 HydrophobicContact CD1-CD1 3.95Å; F341-L552 HydrophobicContact CD2-CD1 4.4Å; F341-L552 HydrophobicContact CE1-CD1 3.79Å; F341-L552 HydrophobicContact CE1-CD2 3.85Å; F341-L552 HydrophobicContact CE2-CD1 4.24Å; F341-L552 HydrophobicContact CG-CD1 4.26Å; F341-L552 HydrophobicContact CZ-CD1 3.93Å; F341-L552 HydrophobicContact CZ-CD2 3.96Å; F341-Y554 HydrophobicContact CZ-CD2 4.43Å; F341-I576 HydrophobicContact CE2-CD1 3.66Å; F341-I576 HydrophobicContact CZ-CD1 3.94Å; F341-V635 HydrophobicContact CE2-CG1 4.18Å; F341-V639 HydrophobicContact CB-CB 4.48Å; F341-V639 HydrophobicContact CB-CG1 3.72Å; F341-V639 HydrophobicContact CB-CG2 3.85Å; F341-V639 HydrophobicContact CD2-CG2 3.55Å; F341-V639 HydrophobicContact CE2-CG2 4.32Å; F341-V639 HydrophobicContact CG-CG1 4.19Å; F341-V639 HydrophobicContact CG-CG2 3.82Å
342	K	86.3	Confident	91.5	Very high	149 Å²	149	57 Å²	57	65%	0.648	27%	0.272	S	S	*	.	H	α-helix	trans	-61.7	-29.4	177.1	-82.2	176.2	172.4	169.5	0	114.3	N338 K340	N338-K342 WeakPolarHBondContact O-CG 3.45Å; N338-K342 PolarHBondContact O-N 2.75Å; N338-K342 VanDerWaalsContact O-N 3.08Å; N338-K342 WeakPolarHBondContact OD1-CD 3.28Å; N338-K342 WeakPolarHBondContact OD1-CE 3.3Å; K340-K342 VanDerWaalsContact C-N 3.32Å; K340-K342 PolarHBondContact O-N 3.02Å
343	N	83.7	Confident	91.6	Very high	134 Å²	134	51.9 Å²	51.9	72%	0.717	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.9	-3.6	-171.3	-67.5	-22.7	0	0	0	113.7	Q339 K340 F341	Q339-N343 PolarHBondContact O-ND2 3.27Å; K340-N343 PolarHBondContact O-N 3.41Å; F341-N343 PolarHBondContact O-N 3Å
344	I	88.4	Confident	91.6	Very high	28 Å²	28	51.9 Å²	51.9	14%	0.144	25%	0.248	C	C	.	.	S	Bend	trans	-116.9	129.3	-167.8	-62.1	177.1	0	0	0	109.6	K340 F341 N348 M349 L552	K340-I344 WeakPolarHBondContact O-CD1 3.3Å; K340-I344 WeakPolarHBondContact O-CG1 3.48Å; F341-I344 PolarHBondContact O-N 2.91Å; I344-N348 HydrophobicContact CG2-CB 3.98Å; I344-M349 HydrophobicContact CB-CE 4.07Å; I344-M349 HydrophobicContact CG2-CE 3.96Å; I344-M349 HydrophobicContact CG2-CG 3.78Å; I344-M349 WeakPolarHBondContact O-CE 3.06Å; I344-L552 HydrophobicContact CD1-CB 3.65Å; I344-L552 HydrophobicContact CD1-CD1 3.9Å; I344-L552 HydrophobicContact CD1-CG 4.41Å; I344-L552 HydrophobicContact CG2-CB 4.35Å
345	Q	88.6	Confident	91.5	Very high	135 Å²	135	50.9 Å²	50.9	63%	0.631	24%	0.243	S	C	*	.			trans	-70.5	147.8	174.6	-66.3	-64	-20.4	0	0	110.4	E347 N348	Q345-E347 PolarHBondContact O-N 2.59Å; Q345-N348 PolarHBondContact O-N 3.19Å
346	P	87.8	Confident	91.6	Very high	38 Å²	38	45.2 Å²	45.2	25%	0.247	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-55.8	-29.9	-177.7	-24.4	34.2	0	0	0	113.5	N348 M349 L372 G373 R548	P346-N348 PolarHBondContact O-N 2.81Å; P346-M349 PolarHBondContact O-N 2.92Å; P346-L372 WeakPolarHBondContact CB-O 3.43Å; P346-L372 WeakPolarHBondContact CG-O 3.48Å; P346-G373 WeakPolarHBondContact CB-O 3.47Å; P346-R548 PolarHBondContact O-NH1 3.38Å
347	E	87.2	Confident	91.8	Very high	142 Å²	142	43.2 Å²	43.2	66%	0.664	21%	0.211	S	C	*	.	G	3₁₀ helix	trans	-68.3	-19.8	179.2	-67	177.3	-169.7	0	0	114.6	Q345 R548	Q345-E347 PolarHBondContact O-N 2.59Å; E347-R548 VanDerWaalsContact CA-NH2 3.29Å; E347-R548 WeakPolarHBondContact O-CD 3.19Å; E347-R548 PolarHBondContact O-NE 3.4Å; E347-R548 PolarHBondContact O-NH1 3.28Å; E347-R548 PolarHBondContact O-NH2 2.86Å
348	N	91.5	Very high	92	Very high	50 Å²	50	43.4 Å²	43.4	27%	0.267	21%	0.211	S	C	.	.	G	3₁₀ helix	trans	-102.5	15.6	-178.1	-65.6	-55.1	0	0	0	112.4	I344 Q345 P346 P550 K551 L552	I344-N348 HydrophobicContact CG2-CB 3.98Å; Q345-N348 PolarHBondContact O-N 3.19Å; P346-N348 PolarHBondContact O-N 2.81Å; N348-P550 CarbonylContact O-C 3.53Å; N348-P550 WeakPolarHBondContact O-CA 3.44Å; N348-P550 WeakPolarHBondContact O-CB 3.27Å; N348-K551 HydrophobicContact CB-CB 4.04Å; N348-K551 HydrophobicContact CB-CD 4.38Å; N348-K551 HydrophobicContact CB-CG 4.11Å; N348-K551 PolarHBondContact O-N 3.2Å; N348-L552 PolarHBondContact O-N 2.81Å
349	M	93.7	Very high	92.2	Very high	3 Å²	3	42 Å²	42	2%	0.015	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	149.4	177.4	-54.7	-175.1	-158.1	0	0	110.5	F341 I344 P346 M369 L372 C374 R548 L552	F341-M349 HydrophobicContact CD1-CE 4.48Å; F341-M349 HydrophobicContact CD1-SD 4.14Å; F341-M349 HydrophobicContact CE1-SD 4.23Å; I344-M349 HydrophobicContact CB-CE 4.07Å; I344-M349 HydrophobicContact CG2-CE 3.96Å; I344-M349 HydrophobicContact CG2-CG 3.78Å; I344-M349 WeakPolarHBondContact O-CE 3.06Å; P346-M349 PolarHBondContact O-N 2.92Å; M349-M369 HydrophobicContact CB-CE 3.96Å; M349-L372 HydrophobicContact SD-CB 4.45Å; M349-L372 HydrophobicContact SD-CD1 4.09Å; M349-C374 HydrophobicContact CB-CB 4.13Å; M349-C374 PolarHBondContact O-SG 3.25Å; M349-R548 PolarHBondContact O-NH1 2.96Å; M349-L552 WeakPolarHBondContact CA-O 3.47Å; M349-L552 HydrophobicContact CG-CB 4.42Å
350	S	94.6	Very high	92.5	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152	156.1	168.6	-60.9	0	0	0	0	109.8	T376 L552 L553 Y554	S350-T376 WeakPolarHBondContact CA-O 3.31Å; S350-T376 WeakPolarHBondContact OG-CG2 3.35Å; S350-L552 PolarHBondContact N-O 3.4Å; S350-L553 WeakPolarHBondContact O-CA 3.3Å; S350-Y554 PolarHBondContact O-N 3.47Å
351	A	96.1	Very high	92.8	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	149.9	170	0	0	0	0	0	111.8	L365 M369 T376 L377 C378 Y554	A351-L365 HydrophobicContact CB-CD2 3.97Å; A351-L365 HydrophobicContact CB-CG 4.37Å; A351-M369 HydrophobicContact CB-CE 4.16Å; A351-T376 PolarHBondContact N-O 3.4Å; A351-L377 HydrophobicContact CB-CD2 3.71Å; A351-C378 PolarHBondContact O-N 3.35Å; A351-Y554 CarbonylContact C-O 3.58Å; A351-Y554 WeakPolarHBondContact CA-O 3.47Å; A351-Y554 WeakPolarHBondContact CB-O 3.45Å
352	V	96	Very high	93.1	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	131.9	175.4	-174.7	0	0	0	0	109.5	C378 E380 V545 L553 Y554 L555 L556 A558 F563	V352-C378 CarbonylContact C-O 3.58Å; V352-C378 VanDerWaalsContact CA-O 3.29Å; V352-C378 WeakPolarHBondContact CA-O 3.36Å; V352-C378 HydrophobicContact CG2-CB 4.25Å; V352-E380 HydrophobicContact CG1-CG 4.08Å; V352-V545 HydrophobicContact CG2-CG2 3.9Å; V352-L553 HydrophobicContact CG2-CD1 4.11Å; V352-Y554 PolarHBondContact N-O 2.83Å; V352-L555 HydrophobicContact CB-CD2 3.91Å; V352-L555 HydrophobicContact CG2-CD2 4.25Å; V352-L556 PolarHBondContact O-N 2.91Å; V352-A558 HydrophobicContact CB-CB 4.27Å; V352-A558 HydrophobicContact CG1-CB 3.94Å; V352-F563 HydrophobicContact CG2-CE2 4.1Å; V352-F563 HydrophobicContact CG2-CZ 4.08Å
353	V	96.4	Very high	93.7	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.006	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	129	178	171.5	0	0	0	0	109.8	V357 M362 L365 C378 E380 Y538 L556	V353-V357 HydrophobicContact CG1-CB 3.66Å; V353-V357 HydrophobicContact CG1-CG1 3.91Å; V353-V357 HydrophobicContact CG1-CG2 3.84Å; V353-M362 HydrophobicContact CG1-CE 3.94Å; V353-M362 HydrophobicContact CG1-CG 3.96Å; V353-M362 HydrophobicContact CG1-SD 4.19Å; V353-M362 HydrophobicContact CG2-CG 4.39Å; V353-L365 HydrophobicContact CG2-CD2 4.23Å; V353-C378 PolarHBondContact N-O 2.76Å; V353-E380 WeakPolarHBondContact O-CG 3.31Å; V353-E380 PolarHBondContact O-N 3.4Å; V353-Y538 HydrophobicContact CB-CE1 4.29Å; V353-Y538 HydrophobicContact CG2-CD1 3.96Å; V353-Y538 HydrophobicContact CG2-CE1 3.31Å; V353-L556 HydrophobicContact CG2-CB 4.46Å; V353-L556 HydrophobicContact CG2-CD2 4.37Å
354	G	94.5	Very high	94.3	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.102	C	C	.	.			trans	-89.1	-179.4	-179.7	0	0	0	0	0	115.6	F356 S529 L556 G557	G354-F356 PolarHBondContact O-N 3Å; G354-S529 WeakPolarHBondContact O-CB 3.29Å; G354-S529 PolarHBondContact O-OG 2.93Å; G354-L556 PolarHBondContact N-O 3.27Å; G354-G557 WeakPolarHBondContact CA-O 3.16Å
355	T	93.5	Very high	94.7	Very high	12 Å²	12	19 Å²	19	7%	0.074	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-35.3	-170.5	-56	0	0	0	0	115.8	E380 K527 S529 D560	T355-E380 PolarHBondContact N-OE2 2.82Å; T355-E380 PolarHBondContact OG1-OE2 3.24Å; T355-K527 HydrophobicContact CG2-CB 3.86Å; T355-K527 HydrophobicContact CG2-CD 4.28Å; T355-K527 HydrophobicContact CG2-CG 3.85Å; T355-K527 VanDerWaalsContact OG1-CD 3.25Å; T355-K527 WeakPolarHBondContact OG1-CD 3.14Å; T355-K527 WeakPolarHBondContact OG1-CE 3.27Å; T355-K527 PolarHBondContact OG1-NZ 2.63Å; T355-K527 VanDerWaalsContact OG1-NZ 3.13Å; T355-S529 VanDerWaalsContact C-OG 3.31Å; T355-S529 VanDerWaalsContact CA-OG 3.3Å; T355-S529 WeakPolarHBondContact CA-OG 3.08Å; T355-S529 WeakPolarHBondContact O-CB 3.5Å; T355-S529 PolarHBondContact O-N 3.4Å; T355-S529 PolarHBondContact O-OG 2.71Å; T355-S529 VanDerWaalsContact O-OG 3.07Å; T355-D560 PolarHBondContact OG1-OD2 2.62Å
356	F	95.1	Very high	95.1	Very high	9 Å²	9	14.6 Å²	14.6	4%	0.039	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.2	8.4	-169.4	-59.2	-56.5	0	0	0	115	V264 M265 G354 Y605 D709 V710 I711	V264-F356 HydrophobicContact CB-CD1 3.97Å; V264-F356 HydrophobicContact CG2-CD1 3.52Å; V264-F356 HydrophobicContact CG2-CE1 4Å; V264-F356 HydrophobicContact CG2-CG 4.41Å; V264-F356 WeakPolarHBondContact O-CD1 3.39Å; V264-F356 WeakPolarHBondContact O-CE1 3.47Å; M265-F356 HydrophobicContact SD-CE1 4.44Å; M265-F356 HydrophobicContact SD-CZ 4.42Å; G354-F356 PolarHBondContact O-N 3Å; F356-Y605 WeakPolarHBondContact O-CE1 3.48Å; F356-Y605 PolarHBondContact O-OH 3.28Å; F356-D709 HydrophobicContact CE2-CB 3.81Å; F356-D709 HydrophobicContact CZ-CB 3.51Å; F356-D709 VanDerWaalsContact CZ-CG 3.44Å; F356-V710 HydrophobicContact CD2-CG2 4.47Å; F356-V710 HydrophobicContact CE2-CG2 4.17Å; F356-I711 HydrophobicContact CD1-CD1 4.49Å; F356-I711 HydrophobicContact CD2-CD1 4.1Å; F356-I711 HydrophobicContact CD2-CG1 4.36Å; F356-I711 HydrophobicContact CE1-CD1 4.23Å; F356-I711 HydrophobicContact CE2-CD1 3.81Å; F356-I711 HydrophobicContact CE2-CG1 3.84Å; F356-I711 HydrophobicContact CG-CD1 4.4Å; F356-I711 HydrophobicContact CZ-CD1 3.86Å; F356-I711 HydrophobicContact CZ-CG1 4.18Å
357	V	96.3	Very high	95.5	Very high	7 Å²	7	13.4 Å²	13.4	4%	0.042	7%	0.066	C	C	.	.			trans	-74.6	140.7	-176.1	-176.5	0	0	0	0	110.3	V353 A361 M362 S529 L556 Y605	V353-V357 HydrophobicContact CG1-CB 3.66Å; V353-V357 HydrophobicContact CG1-CG1 3.91Å; V353-V357 HydrophobicContact CG1-CG2 3.84Å; V357-A361 HydrophobicContact CG1-CB 4.05Å; V357-M362 HydrophobicContact CB-CE 3.9Å; V357-M362 HydrophobicContact CG1-CE 3.98Å; V357-M362 HydrophobicContact CG1-CG 3.81Å; V357-M362 WeakPolarHBondContact O-CE 3.39Å; V357-S529 WeakPolarHBondContact O-CB 3.45Å; V357-L556 HydrophobicContact CG1-CD2 3.49Å; V357-L556 VanDerWaalsContact CG1-CD2 3.49Å; V357-L556 HydrophobicContact CG1-CG 3.88Å; V357-L556 HydrophobicContact CG2-CD2 4.39Å; V357-L556 HydrophobicContact CG2-CG 3.89Å; V357-L556 WeakPolarHBondContact CG2-O 3.47Å; V357-Y605 WeakPolarHBondContact O-CE1 3.48Å
358	D	97	Very high	95.9	Very high	3 Å²	3	6.7 Å²	6.7	2%	0.016	3%	0.034	C	C	.	.			trans	-86.3	155.2	177.6	54.1	-57.2	0	0	0	112.7	E360 A361 M362 K601 A603 Y605	D358-E360 VanDerWaalsContact C-N 3.31Å; D358-E360 PolarHBondContact O-N 3.44Å; D358-A361 PolarHBondContact O-N 3.47Å; D358-A361 WeakPolarHBondContact OD1-CB 3.21Å; D358-A361 PolarHBondContact OD2-N 3.23Å; D358-M362 WeakPolarHBondContact O-CG 3.18Å; D358-M362 PolarHBondContact O-N 3.1Å; D358-M362 VanDerWaalsContact O-N 3.15Å; D358-K601 IonicContact OD1-NZ 3.31Å; D358-K601 PolarHBondContact OD1-NZ 2.94Å; D358-A603 HydrophobicContact CB-CB 3.44Å; D358-A603 VanDerWaalsContact CB-CB 3.44Å; D358-Y605 HydrophobicContact CB-CE1 4.31Å; D358-Y605 HydrophobicContact CB-CE2 4.46Å
359	A	97.1	Very high	96.1	Very high	0 Å²	0	4.3 Å²	4.3	0%	0	2%	0.021	C	C	.	.	H	α-helix	trans	-63.3	-35.6	-177	0	0	0	0	0	112.7	M362 V363 A532 T604 M655	A359-M362 PolarHBondContact O-N 2.81Å; A359-V363 PolarHBondContact O-N 3.12Å; A359-A532 HydrophobicContact CB-CB 4.18Å; A359-T604 HydrophobicContact CB-CG2 4.38Å; A359-T604 PolarHBondContact N-O 3.31Å; A359-M655 HydrophobicContact CB-CE 3.58Å
360	E	97.5	Very high	96.2	Very high	0 Å²	0	7.3 Å²	7.3	0%	0	4%	0.037	C	C	.	.	H	α-helix	trans	-57.3	-51.4	175.3	-71.3	82.9	166.8	0	0	111.2	D358 M362 V363 C364 T604 W629 I648 V651 R652 M655	D358-E360 VanDerWaalsContact C-N 3.31Å; D358-E360 PolarHBondContact O-N 3.44Å; E360-M362 VanDerWaalsContact C-N 3.34Å; E360-M362 PolarHBondContact O-N 3.21Å; E360-V363 PolarHBondContact O-N 2.84Å; E360-C364 PolarHBondContact O-N 3.31Å; E360-C364 PolarHBondContact O-SG 3.41Å; E360-T604 WeakPolarHBondContact OE1-CB 3.05Å; E360-T604 PolarHBondContact OE1-N 2.86Å; E360-T604 PolarHBondContact OE1-OG1 3.4Å; E360-T604 VanDerWaalsContact OE2-CB 3.3Å; E360-T604 WeakPolarHBondContact OE2-CB 3.38Å; E360-T604 PolarHBondContact OE2-N 3.44Å; E360-T604 PolarHBondContact OE2-OG1 3.05Å; E360-W629 HydrophobicContact CB-CB 4.45Å; E360-I648 HydrophobicContact CG-CG1 4.44Å; E360-V651 HydrophobicContact CB-CG1 3.87Å; E360-V651 HydrophobicContact CG-CG1 4.02Å; E360-R652 HydrophobicContact CG-CG 4.37Å; E360-R652 IonicContact OE1-CZ 2.74Å; E360-R652 IonicContact OE1-NE 3.96Å; E360-R652 PolarHBondContact OE1-NE 3.25Å; E360-R652 IonicContact OE1-NH2 2.87Å; E360-R652 PolarHBondContact OE1-NH2 2.79Å; E360-M655 HydrophobicContact CB-SD 4.26Å; E360-M655 HydrophobicContact CG-SD 3.65Å
361	A	97.3	Very high	96.1	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-64.1	-36.6	178.9	0	0	0	0	0	112.7	V357 D358 C364 L365 L556 D628 I632	V357-A361 HydrophobicContact CG1-CB 4.05Å; D358-A361 PolarHBondContact O-N 3.47Å; D358-A361 WeakPolarHBondContact OD1-CB 3.21Å; D358-A361 PolarHBondContact OD2-N 3.23Å; A361-C364 PolarHBondContact O-N 2.93Å; A361-L365 WeakPolarHBondContact O-CB 3.4Å; A361-L365 PolarHBondContact O-N 3.41Å; A361-L556 HydrophobicContact CB-CD2 4.11Å; A361-D628 HydrophobicContact CB-CB 3.68Å; A361-I632 HydrophobicContact CB-CD1 4.2Å; A361-I632 WeakPolarHBondContact O-CD1 3.42Å
362	M	97.1	Very high	96	Very high	0 Å²	0	13 Å²	13	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-63.2	-46.8	174.5	-65.6	178.2	-150.5	0	0	112	V353 V357 D358 A359 E360 C364 L365 K366 S529 A532 A533 Y538	V353-M362 HydrophobicContact CG1-CE 3.94Å; V353-M362 HydrophobicContact CG1-CG 3.96Å; V353-M362 HydrophobicContact CG1-SD 4.19Å; V353-M362 HydrophobicContact CG2-CG 4.39Å; V357-M362 HydrophobicContact CB-CE 3.9Å; V357-M362 HydrophobicContact CG1-CE 3.98Å; V357-M362 HydrophobicContact CG1-CG 3.81Å; V357-M362 WeakPolarHBondContact O-CE 3.39Å; D358-M362 WeakPolarHBondContact O-CG 3.18Å; D358-M362 PolarHBondContact O-N 3.1Å; D358-M362 VanDerWaalsContact O-N 3.15Å; A359-M362 PolarHBondContact O-N 2.81Å; E360-M362 VanDerWaalsContact C-N 3.34Å; E360-M362 PolarHBondContact O-N 3.21Å; M362-C364 VanDerWaalsContact C-N 3.27Å; M362-C364 PolarHBondContact O-N 3.43Å; M362-L365 PolarHBondContact O-N 3.39Å; M362-K366 VanDerWaalsContact O-CB 3.3Å; M362-K366 WeakPolarHBondContact O-CB 3.3Å; M362-K366 PolarHBondContact O-N 3.26Å; M362-S529 VanDerWaalsContact CE-CB 3.48Å; M362-A532 HydrophobicContact CE-CB 4.21Å; M362-A532 HydrophobicContact SD-CB 4.27Å; M362-A533 HydrophobicContact CE-CB 4.45Å; M362-A533 VanDerWaalsContact SD-CA 3.53Å; M362-A533 HydrophobicContact SD-CB 3.65Å; M362-Y538 HydrophobicContact CB-CE2 4.06Å; M362-Y538 PolarHBondContact O-OH 3.01Å
363	V	97.4	Very high	95.8	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-61.4	-41	176.9	168.2	0	0	0	0	110.8	A359 E360 K366 D367 V536 R654 M655 I658	A359-V363 PolarHBondContact O-N 3.12Å; E360-V363 PolarHBondContact O-N 2.84Å; V363-K366 PolarHBondContact O-N 2.9Å; V363-D367 WeakPolarHBondContact O-CB 3.43Å; V363-D367 PolarHBondContact O-N 3.07Å; V363-V536 HydrophobicContact CG2-CG1 4.01Å; V363-V536 HydrophobicContact CG2-CG2 3.75Å; V363-R654 HydrophobicContact CG1-CG 3.8Å; V363-M655 HydrophobicContact CB-CG 4.1Å; V363-M655 HydrophobicContact CG1-CG 4.36Å; V363-M655 HydrophobicContact CG2-CG 3.67Å; V363-I658 HydrophobicContact CB-CD1 4.46Å; V363-I658 HydrophobicContact CG1-CD1 3.69Å; V363-I658 HydrophobicContact CG2-CD1 4Å
364	C	97.3	Very high	95.6	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-62	-46.7	177	-68.4	0	0	0	0	113.6	E360 A361 M362 K366 F368 W629 I632 L643 Y645	E360-C364 PolarHBondContact O-N 3.31Å; E360-C364 PolarHBondContact O-SG 3.41Å; A361-C364 PolarHBondContact O-N 2.93Å; M362-C364 VanDerWaalsContact C-N 3.27Å; M362-C364 PolarHBondContact O-N 3.43Å; C364-K366 VanDerWaalsContact C-N 3.34Å; C364-F368 VanDerWaalsContact O-CB 3.29Å; C364-F368 WeakPolarHBondContact O-CB 3.2Å; C364-F368 PolarHBondContact O-N 3.49Å; C364-W629 HydrophobicContact CB-CB 4.42Å; C364-I632 HydrophobicContact CB-CB 4.18Å; C364-I632 HydrophobicContact CB-CD1 4.21Å; C364-I632 HydrophobicContact CB-CG2 3.92Å; C364-L643 HydrophobicContact CB-CD1 4.39Å; C364-Y645 VanDerWaalsContact CA-OH 3.23Å; C364-Y645 WeakPolarHBondContact CA-OH 3.35Å; C364-Y645 HydrophobicContact CB-CE2 4.37Å; C364-Y645 WeakPolarHBondContact SG-CE2 3.41Å; C364-Y645 PolarHBondContact SG-OH 3.06Å
365	L	97	Very high	95.4	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-66	-40.3	178.5	-176.2	59.8	0	0	0	111.2	A351 V353 A361 M362 F368 M369 L377 Y554 L556 I632	A351-L365 HydrophobicContact CB-CD2 3.97Å; A351-L365 HydrophobicContact CB-CG 4.37Å; V353-L365 HydrophobicContact CG2-CD2 4.23Å; A361-L365 WeakPolarHBondContact O-CB 3.4Å; A361-L365 PolarHBondContact O-N 3.41Å; M362-L365 PolarHBondContact O-N 3.39Å; L365-F368 HydrophobicContact CD1-CD1 4.48Å; L365-F368 PolarHBondContact O-N 2.68Å; L365-M369 HydrophobicContact CD1-CG 4.05Å; L365-M369 HydrophobicContact CG-CG 4.42Å; L365-M369 WeakPolarHBondContact O-CB 3.29Å; L365-M369 VanDerWaalsContact O-CG 3.26Å; L365-M369 WeakPolarHBondContact O-CG 3.41Å; L365-M369 PolarHBondContact O-N 3.32Å; L365-L377 HydrophobicContact CG-CD2 4.49Å; L365-Y554 HydrophobicContact CD1-CD1 4Å; L365-Y554 HydrophobicContact CD1-CE1 4.19Å; L365-Y554 HydrophobicContact CD1-CG 4.18Å; L365-Y554 HydrophobicContact CD2-CD1 4.18Å; L365-L556 HydrophobicContact CB-CD2 4.43Å; L365-L556 HydrophobicContact CD2-CB 3.93Å; L365-L556 HydrophobicContact CD2-CD2 3.79Å; L365-L556 HydrophobicContact CD2-CG 4.49Å; L365-I632 HydrophobicContact CB-CD1 3.98Å
366	K	96.8	Very high	95.4	Very high	41 Å²	41	22.3 Å²	22.3	18%	0.178	12%	0.116	C	C	.	.	H	α-helix	trans	-61.6	-52.6	176.7	177.5	164.5	-177.8	168.6	0	112	M362 V363 C364 F368 M369 N370 L377 V536 G537 Y538	M362-K366 VanDerWaalsContact O-CB 3.3Å; M362-K366 WeakPolarHBondContact O-CB 3.3Å; M362-K366 PolarHBondContact O-N 3.26Å; V363-K366 PolarHBondContact O-N 2.9Å; C364-K366 VanDerWaalsContact C-N 3.34Å; K366-F368 VanDerWaalsContact C-N 3.26Å; K366-F368 PolarHBondContact O-N 2.7Å; K366-M369 PolarHBondContact O-N 3.37Å; K366-N370 WeakPolarHBondContact CG-ND2 3.5Å; K366-N370 VanDerWaalsContact O-CB 3.25Å; K366-N370 WeakPolarHBondContact O-CB 3.16Å; K366-N370 PolarHBondContact O-N 3.16Å; K366-N370 PolarHBondContact O-ND2 3.36Å; K366-L377 HydrophobicContact CB-CD1 3.79Å; K366-L377 HydrophobicContact CD-CD1 4.3Å; K366-L377 HydrophobicContact CG-CD1 3.62Å; K366-V536 HydrophobicContact CD-CG1 3.6Å; K366-V536 PolarHBondContact NZ-O 2.88Å; K366-G537 PolarHBondContact NZ-O 3.29Å; K366-Y538 HydrophobicContact CB-CE2 3.83Å; K366-Y538 HydrophobicContact CD-CD2 4.43Å; K366-Y538 HydrophobicContact CD-CE2 4.11Å; K366-Y538 HydrophobicContact CG-CE2 4.47Å; K366-Y538 PolarHBondContact N-OH 2.99Å
367	D	96.8	Very high	95.4	Very high	14 Å²	14	22.1 Å²	22.1	8%	0.075	12%	0.115	C	C	.	.	H	α-helix	trans	-62	-35.8	178.8	-79.4	-20	0	0	0	111.5	V363 R371 L643 R654	V363-D367 WeakPolarHBondContact O-CB 3.43Å; V363-D367 PolarHBondContact O-N 3.07Å; D367-R371 WeakPolarHBondContact O-CB 3.25Å; D367-R371 VanDerWaalsContact O-CG 3.3Å; D367-R371 WeakPolarHBondContact O-CG 3.31Å; D367-R371 PolarHBondContact O-N 3.03Å; D367-L643 HydrophobicContact CB-CD2 3.67Å; D367-R654 IonicContact OD1-CZ 2.63Å; D367-R654 IonicContact OD1-NE 3.16Å; D367-R654 IonicContact OD1-NH2 2.71Å; D367-R654 PolarHBondContact OD1-NH2 2.9Å; D367-R654 WeakPolarHBondContact OD2-CG 3.25Å; D367-R654 IonicContact OD2-CZ 3.8Å; D367-R654 IonicContact OD2-NE 3Å; D367-R654 PolarHBondContact OD2-NE 3.49Å; D367-R654 IonicContact OD2-NH2 3.74Å
368	F	95.9	Very high	95.3	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-66.3	-49.6	177.4	173.5	-123.7	0	0	0	112.2	F341 C364 L365 K366 R371 L372 I632 V635 S636 V639 L643	F341-F368 HydrophobicContact CD1-CZ 4.49Å; F341-F368 HydrophobicContact CE1-CE1 4.08Å; F341-F368 HydrophobicContact CE1-CZ 4.14Å; F341-F368 HydrophobicContact CE2-CZ 4.48Å; F341-F368 AromaticContact CZ-CE1 3.91Å; F341-F368 HydrophobicContact CZ-CE1 3.91Å; F341-F368 HydrophobicContact CZ-CZ 4.15Å; C364-F368 VanDerWaalsContact O-CB 3.29Å; C364-F368 WeakPolarHBondContact O-CB 3.2Å; C364-F368 PolarHBondContact O-N 3.49Å; L365-F368 HydrophobicContact CD1-CD1 4.48Å; L365-F368 PolarHBondContact O-N 2.68Å; K366-F368 VanDerWaalsContact C-N 3.26Å; K366-F368 PolarHBondContact O-N 2.7Å; F368-R371 WeakPolarHBondContact O-CB 3.46Å; F368-R371 PolarHBondContact O-N 2.77Å; F368-L372 HydrophobicContact CD1-CD1 4.43Å; F368-L372 HydrophobicContact CD2-CD1 4.39Å; F368-L372 HydrophobicContact CE1-CD1 3.88Å; F368-L372 HydrophobicContact CE2-CD1 3.82Å; F368-L372 HydrophobicContact CE2-CG 4.22Å; F368-L372 HydrophobicContact CZ-CD1 3.54Å; F368-L372 HydrophobicContact CZ-CG 4.43Å; F368-L372 PolarHBondContact O-N 3.14Å; F368-L372 VanDerWaalsContact O-N 3.09Å; F368-I632 HydrophobicContact CB-CG2 4.19Å; F368-V635 HydrophobicContact CE1-CG1 4.13Å; F368-V635 HydrophobicContact CZ-CG1 4.03Å; F368-S636 VanDerWaalsContact CD2-CB 3.49Å; F368-V639 HydrophobicContact CE2-CB 4.38Å; F368-V639 HydrophobicContact CE2-CG1 4.45Å; F368-V639 HydrophobicContact CZ-CB 4.42Å; F368-V639 HydrophobicContact CZ-CG1 4.49Å; F368-V639 HydrophobicContact CZ-CG2 4.22Å; F368-L643 HydrophobicContact CB-CD1 4.17Å; F368-L643 HydrophobicContact CB-CD2 4.31Å
369	M	95	Very high	95.2	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-67.2	-37.7	179.3	-64.7	-66.5	-82.7	0	0	111.4	M349 A351 L365 K366 R371 L372 G373 C374 L377	M349-M369 HydrophobicContact CB-CE 3.96Å; A351-M369 HydrophobicContact CB-CE 4.16Å; L365-M369 HydrophobicContact CD1-CG 4.05Å; L365-M369 HydrophobicContact CG-CG 4.42Å; L365-M369 WeakPolarHBondContact O-CB 3.29Å; L365-M369 VanDerWaalsContact O-CG 3.26Å; L365-M369 WeakPolarHBondContact O-CG 3.41Å; L365-M369 PolarHBondContact O-N 3.32Å; K366-M369 PolarHBondContact O-N 3.37Å; M369-R371 PolarHBondContact O-N 3.18Å; M369-L372 CarbonylContact O-C 3.16Å; M369-L372 WeakPolarHBondContact O-CA 3.37Å; M369-L372 WeakPolarHBondContact O-CB 2.86Å; M369-L372 PolarHBondContact O-N 3.28Å; M369-L372 HydrophobicContact SD-CD1 4.28Å; M369-G373 PolarHBondContact O-N 2.96Å; M369-G373 VanDerWaalsContact O-N 3.07Å; M369-C374 CarbonylContact C-O 3.59Å; M369-C374 VanDerWaalsContact C-O 3.31Å; M369-C374 HydrophobicContact CB-CB 4.37Å; M369-C374 HydrophobicContact CE-CB 4.15Å; M369-C374 PolarHBondContact O-N 2.81Å; M369-L377 HydrophobicContact CB-CD1 4.48Å; M369-L377 HydrophobicContact CB-CD2 3.82Å; M369-L377 HydrophobicContact CB-CG 4.4Å; M369-L377 HydrophobicContact CG-CD2 3.73Å
370	N	94.8	Very high	94.9	Very high	66 Å²	66	22.4 Å²	22.4	35%	0.353	12%	0.116	S	C	.	.	H	α-helix	trans	-60.9	-43.3	172.8	-72.1	-14.6	0	0	0	111.7	K366 L372 G373	K366-N370 WeakPolarHBondContact CG-ND2 3.5Å; K366-N370 VanDerWaalsContact O-CB 3.25Å; K366-N370 WeakPolarHBondContact O-CB 3.16Å; K366-N370 PolarHBondContact O-N 3.16Å; K366-N370 PolarHBondContact O-ND2 3.36Å; N370-L372 PolarHBondContact O-N 3.38Å; N370-G373 PolarHBondContact O-N 3.24Å
371	R	93.9	Very high	94.6	Very high	111 Å²	111	22.6 Å²	22.6	42%	0.419	12%	0.117	S	C	.	.	H	α-helix	trans	-61.6	-29.3	173.4	-79.4	-179.5	-176.3	-125.8	-9.4	112.4	D367 F368 M369 G373 R641 P642 P644	D367-R371 WeakPolarHBondContact O-CB 3.25Å; D367-R371 VanDerWaalsContact O-CG 3.3Å; D367-R371 WeakPolarHBondContact O-CG 3.31Å; D367-R371 PolarHBondContact O-N 3.03Å; F368-R371 WeakPolarHBondContact O-CB 3.46Å; F368-R371 PolarHBondContact O-N 2.77Å; M369-R371 PolarHBondContact O-N 3.18Å; R371-G373 VanDerWaalsContact C-N 3.31Å; R371-R641 WeakPolarHBondContact O-CD 3.5Å; R371-R641 PolarHBondContact O-NH1 3.33Å; R371-P642 PolarHBondContact NH1-O 2.72Å; R371-P644 VanDerWaalsContact NH2-CD 3.35Å
372	L	92.5	Very high	94.4	Very high	9 Å²	9	23.8 Å²	23.8	5%	0.047	12%	0.122	C	C	.	.	H	α-helix	trans	-76.1	-17.1	172.8	-70.7	170.4	0	0	0	113.2	F341 P346 M349 F368 M369 N370 V639 R641	F341-L372 HydrophobicContact CD1-CD1 3.76Å; F341-L372 HydrophobicContact CE1-CD1 3.76Å; P346-L372 WeakPolarHBondContact CB-O 3.43Å; P346-L372 WeakPolarHBondContact CG-O 3.48Å; M349-L372 HydrophobicContact SD-CB 4.45Å; M349-L372 HydrophobicContact SD-CD1 4.09Å; F368-L372 HydrophobicContact CD1-CD1 4.43Å; F368-L372 HydrophobicContact CD2-CD1 4.39Å; F368-L372 HydrophobicContact CE1-CD1 3.88Å; F368-L372 HydrophobicContact CE2-CD1 3.82Å; F368-L372 HydrophobicContact CE2-CG 4.22Å; F368-L372 HydrophobicContact CZ-CD1 3.54Å; F368-L372 HydrophobicContact CZ-CG 4.43Å; F368-L372 PolarHBondContact O-N 3.14Å; F368-L372 VanDerWaalsContact O-N 3.09Å; M369-L372 CarbonylContact O-C 3.16Å; M369-L372 WeakPolarHBondContact O-CA 3.37Å; M369-L372 WeakPolarHBondContact O-CB 2.86Å; M369-L372 PolarHBondContact O-N 3.28Å; M369-L372 HydrophobicContact SD-CD1 4.28Å; N370-L372 PolarHBondContact O-N 3.38Å; L372-V639 HydrophobicContact CD2-CG1 4.21Å; L372-R641 VanDerWaalsContact CA-NH1 3.3Å; L372-R641 PolarHBondContact O-NH1 2.69Å
373	G	92.2	Very high	94.1	Very high	48 Å²	48	23.8 Å²	23.8	50%	0.495	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	89.2	18.3	-173.8	0	0	0	0	0	113.5	P346 M369 N370 R371	P346-G373 WeakPolarHBondContact CB-O 3.47Å; M369-G373 PolarHBondContact O-N 2.96Å; M369-G373 VanDerWaalsContact O-N 3.07Å; N370-G373 PolarHBondContact O-N 3.24Å; R371-G373 VanDerWaalsContact C-N 3.31Å
374	C	92.4	Very high	93.6	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.122	C	C	.	.			trans	-106.1	118.3	177.6	176.2	0	0	0	0	111	M349 M369	M349-C374 HydrophobicContact CB-CB 4.13Å; M349-C374 PolarHBondContact O-SG 3.25Å; M369-C374 CarbonylContact C-O 3.59Å; M369-C374 VanDerWaalsContact C-O 3.31Å; M369-C374 HydrophobicContact CB-CB 4.37Å; M369-C374 HydrophobicContact CE-CB 4.15Å; M369-C374 PolarHBondContact O-N 2.81Å
375	E	91.5	Very high	92.8	Very high	147 Å²	147	26.3 Å²	26.3	69%	0.687	14%	0.139	S	C	*	.			trans	-98.7	-8	177.7	-60.9	-177.7	166.4	0	0	113.3	L377	E375-L377 VanDerWaalsContact C-N 3.3Å; E375-L377 PolarHBondContact O-N 3.3Å
376	T	92.7	Very high	91.8	Very high	14 Å²	14	29.6 Å²	29.6	9%	0.086	16%	0.157	C	C	.	.			trans	-78.6	79.5	-177.8	-48.2	0	0	0	0	111.2	S350 A351 A544 R548	S350-T376 WeakPolarHBondContact CA-O 3.31Å; S350-T376 WeakPolarHBondContact OG-CG2 3.35Å; A351-T376 PolarHBondContact N-O 3.4Å; T376-A544 HydrophobicContact CG2-CB 4.34Å; T376-R548 VanDerWaalsContact OG1-CZ 3.29Å; T376-R548 PolarHBondContact OG1-NH1 3.24Å
377	L	94.7	Very high	90.6	Very high	5 Å²	5	30.3 Å²	30.3	3%	0.026	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	114.1	178	-68.1	168.3	0	0	0	108.4	A351 L365 K366 M369 E375 Y538 M539	A351-L377 HydrophobicContact CB-CD2 3.71Å; L365-L377 HydrophobicContact CG-CD2 4.49Å; K366-L377 HydrophobicContact CB-CD1 3.79Å; K366-L377 HydrophobicContact CD-CD1 4.3Å; K366-L377 HydrophobicContact CG-CD1 3.62Å; M369-L377 HydrophobicContact CB-CD1 4.48Å; M369-L377 HydrophobicContact CB-CD2 3.82Å; M369-L377 HydrophobicContact CB-CG 4.4Å; M369-L377 HydrophobicContact CG-CD2 3.73Å; E375-L377 VanDerWaalsContact C-N 3.3Å; E375-L377 PolarHBondContact O-N 3.3Å; L377-Y538 HydrophobicContact CB-CD1 3.69Å; L377-Y538 HydrophobicContact CB-CE1 3.65Å; L377-Y538 HydrophobicContact CB-CG 4.26Å; L377-Y538 HydrophobicContact CD2-CE1 4.14Å; L377-Y538 HydrophobicContact CG-CE1 4.33Å; L377-M539 WeakPolarHBondContact O-CB 3.21Å; L377-M539 PolarHBondContact O-N 2.94Å
378	C	94.6	Very high	89.4	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	156	-170.7	-68.8	0	0	0	0	112.8	A351 V352 V353 M539 G541 V545	A351-C378 PolarHBondContact O-N 3.35Å; V352-C378 CarbonylContact C-O 3.58Å; V352-C378 VanDerWaalsContact CA-O 3.29Å; V352-C378 WeakPolarHBondContact CA-O 3.36Å; V352-C378 HydrophobicContact CG2-CB 4.25Å; V353-C378 PolarHBondContact N-O 2.76Å; C378-M539 CarbonylContact C-O 3.59Å; C378-M539 WeakPolarHBondContact CA-O 3.17Å; C378-G541 WeakPolarHBondContact CB-O 3.35Å; C378-G541 PolarHBondContact SG-O 3.45Å; C378-G541 VanDerWaalsContact SG-O 3.38Å; C378-V545 HydrophobicContact CB-CG2 3.95Å
379	T	94.6	Very high	88.4	Confident	1 Å²	1	30.4 Å²	30.4	1%	0.006	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	163.2	163.7	64.2	0	0	0	0	110.5	E381 Q530 A533 M539 P540 G541	T379-E381 PolarHBondContact OG1-O 3.17Å; T379-Q530 VanDerWaalsContact CB-OE1 3.29Å; T379-Q530 PolarHBondContact OG1-OE1 3.18Å; T379-A533 HydrophobicContact CG2-CB 3.46Å; T379-A533 VanDerWaalsContact CG2-CB 3.46Å; T379-M539 PolarHBondContact N-O 2.88Å; T379-M539 VanDerWaalsContact N-O 3.07Å; T379-P540 WeakPolarHBondContact OG1-CA 3.35Å; T379-G541 CarbonylContact O-C 3.5Å; T379-G541 VanDerWaalsContact O-C 3.24Å; T379-G541 WeakPolarHBondContact O-CA 3.19Å; T379-G541 PolarHBondContact O-N 3.08Å; T379-G541 PolarHBondContact OG1-N 3.4Å; T379-G541 VanDerWaalsContact OG1-N 3.12Å
380	E	91.7	Very high	88.1	Confident	15 Å²	15	32.5 Å²	32.5	7%	0.07	18%	0.182	C	C	.	.	S	Bend	trans	-66.5	-40.4	174	-62	-172.9	129.3	0	0	112.3	V352 V353 T355 K527 A558 D559 D560	V352-E380 HydrophobicContact CG1-CG 4.08Å; V353-E380 WeakPolarHBondContact O-CG 3.31Å; V353-E380 PolarHBondContact O-N 3.4Å; T355-E380 PolarHBondContact N-OE2 2.82Å; T355-E380 PolarHBondContact OG1-OE2 3.24Å; E380-K527 IonicContact OE2-NZ 3.54Å; E380-K527 PolarHBondContact OE2-NZ 3.12Å; E380-A558 HydrophobicContact CG-CB 4.13Å; E380-A558 VanDerWaalsContact OE1-C 3.26Å; E380-A558 WeakPolarHBondContact OE1-CA 3.46Å; E380-A558 WeakPolarHBondContact OE1-CB 3.31Å; E380-D559 PolarHBondContact OE1-N 2.88Å; E380-D560 PolarHBondContact OE1-N 3.31Å
381	E	91	Very high	87.8	Confident	3 Å²	3	34.9 Å²	34.9	1%	0.014	20%	0.195	C	C	.	.	S	Bend	trans	-94.4	125.5	-173.5	-170.5	170.3	-152.4	0	0	111.3	T379 T489 R526 K527 Q530 G541	T379-E381 PolarHBondContact OG1-O 3.17Å; E381-T489 VanDerWaalsContact CD-OG1 3.24Å; E381-T489 WeakPolarHBondContact OE1-CB 3.49Å; E381-T489 PolarHBondContact OE1-OG1 3.38Å; E381-T489 PolarHBondContact OE2-OG1 3.27Å; E381-R526 IonicContact OE1-CZ 3.44Å; E381-R526 VanDerWaalsContact OE1-CZ 3.27Å; E381-R526 IonicContact OE1-NE 3.74Å; E381-R526 PolarHBondContact OE1-NE 3.24Å; E381-R526 IonicContact OE1-NH2 2.76Å; E381-R526 PolarHBondContact OE1-NH2 3.12Å; E381-K527 HydrophobicContact CB-CD 4.06Å; E381-Q530 PolarHBondContact O-NE2 2.86Å; E381-G541 PolarHBondContact O-N 3.16Å
382	Y	92.3	Very high	87.7	Confident	25 Å²	25	31.7 Å²	31.7	10%	0.098	18%	0.184	C	C	.	.			trans	-72.2	143.2	176.1	-173.8	-102.5	0	0	0	111	F492 Q493 A497 D498 P540	Y382-F492 VanDerWaalsContact CD1-O 3.31Å; Y382-F492 WeakPolarHBondContact CD1-O 3.35Å; Y382-Q493 VanDerWaalsContact N-OE1 3.12Å; Y382-Q493 PolarHBondContact O-NE2 2.81Å; Y382-A497 HydrophobicContact CD1-CB 4.46Å; Y382-A497 HydrophobicContact CE1-CB 4.17Å; Y382-D498 PolarHBondContact OH-OD2 2.99Å; Y382-P540 VanDerWaalsContact CD2-O 3.3Å; Y382-P540 WeakPolarHBondContact CD2-O 3.18Å
383	F	91.8	Very high	87.7	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	19%	0.188	C	C	.	.			trans	-137.2	142.6	173.6	-175.9	-92.4	0	0	0	107.5	S385 I390 N395 F492 Y501 I523 L534 P540	F383-S385 PolarHBondContact O-N 3.27Å; F383-S385 VanDerWaalsContact O-N 3.14Å; F383-I390 HydrophobicContact CD1-CG2 4.43Å; F383-N395 WeakPolarHBondContact CZ-O 3.47Å; F383-F492 AromaticContact CD2-CD2 3.81Å; F383-F492 HydrophobicContact CD2-CD2 3.81Å; F383-F492 HydrophobicContact CD2-CE2 4.1Å; F383-F492 AromaticContact CE2-CD2 3.93Å; F383-F492 HydrophobicContact CE2-CD2 3.93Å; F383-F492 AromaticContact CE2-CE2 3.73Å; F383-F492 HydrophobicContact CE2-CE2 3.73Å; F383-Y501 HydrophobicContact CZ-CD2 4.45Å; F383-Y501 AromaticContact CZ-CE2 3.93Å; F383-Y501 HydrophobicContact CZ-CE2 3.93Å; F383-I523 HydrophobicContact CE2-CG1 4.47Å; F383-I523 HydrophobicContact CE2-CG2 4.21Å; F383-L534 HydrophobicContact CG-CD1 4.42Å; F383-P540 HydrophobicContact CB-CB 3.67Å; F383-P540 HydrophobicContact CB-CG 4.24Å; F383-P540 WeakPolarHBondContact O-CG 3.35Å
384	P	86.5	Confident	87.6	Confident	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.166	C	C	.	.			trans	-54.9	119	-179.8	-28.3	38.6	0	0	0	111.8	F492 A497 D498 Y501	P384-F492 HydrophobicContact CG-CB 4.26Å; P384-F492 HydrophobicContact CG-CD1 3.69Å; P384-F492 HydrophobicContact CG-CD2 4.33Å; P384-F492 HydrophobicContact CG-CE1 4.14Å; P384-F492 HydrophobicContact CG-CG 3.83Å; P384-A497 HydrophobicContact CG-CB 4.21Å; P384-D498 VanDerWaalsContact CA-OD1 3.22Å; P384-D498 WeakPolarHBondContact CA-OD1 3.44Å; P384-D498 HydrophobicContact CB-CB 4.47Å; P384-D498 WeakPolarHBondContact CB-OD1 3.31Å; P384-Y501 HydrophobicContact CB-CG 4.25Å; P384-Y501 HydrophobicContact CG-CD2 4.18Å; P384-Y501 HydrophobicContact CG-CG 4.14Å
385	S	80.6	Confident	87.6	Confident	53 Å²	53	31 Å²	31	37%	0.371	17%	0.167	S	C	.	.			trans	-114.4	-5.5	-174.6	60.6	0	0	0	0	113.6	F383 D498	F383-S385 PolarHBondContact O-N 3.27Å; F383-S385 VanDerWaalsContact O-N 3.14Å; S385-D498 PolarHBondContact N-OD1 2.85Å; S385-D498 VanDerWaalsContact N-OD1 3.15Å
386	L	75.7	Confident	87.7	Confident	70 Å²	70	24.4 Å²	24.4	37%	0.366	14%	0.136	S	C	.	.	S	Bend	trans	-63.3	146.8	175.3	-86.2	126.3	0	0	0	111.9	T388 D498 I684	L386-T388 PolarHBondContact O-N 2.96Å; L386-D498 HydrophobicContact CB-CB 4.28Å; L386-D498 HydrophobicContact CD1-CB 3.74Å; L386-D498 WeakPolarHBondContact CD1-OD1 3.35Å; L386-D498 VanDerWaalsContact CD1-OD2 3.25Å; L386-D498 WeakPolarHBondContact CD1-OD2 3.4Å; L386-D498 PolarHBondContact N-OD1 3.37Å; L386-I684 HydrophobicContact CB-CD1 3.89Å
387	A	70.4	Confident	87.7	Confident	56 Å²	56	23.9 Å²	23.9	46%	0.463	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.3	-103.1	-169.2	0	0	0	0	0	114.9	I684	A387-I684 HydrophobicContact CB-CD1 3.35Å; A387-I684 HydrophobicContact CB-CG1 4.41Å
388	T	72.5	Confident	87.7	Confident	15 Å²	15	23.7 Å²	23.7	9%	0.092	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-125	28	-171	57.9	0	0	0	0	110.9	L386 I390 D391 F392 N395 Y680	L386-T388 PolarHBondContact O-N 2.96Å; T388-I390 VanDerWaalsContact C-N 3.34Å; T388-I390 PolarHBondContact O-N 3.18Å; T388-D391 WeakPolarHBondContact CA-OD2 3.29Å; T388-D391 PolarHBondContact O-N 2.85Å; T388-F392 HydrophobicContact CG2-CE2 4.06Å; T388-N395 PolarHBondContact O-ND2 3.43Å; T388-N395 VanDerWaalsContact O-ND2 3.16Å; T388-Y680 HydrophobicContact CG2-CD1 4Å; T388-Y680 HydrophobicContact CG2-CD2 3.85Å; T388-Y680 HydrophobicContact CG2-CE1 4.28Å; T388-Y680 HydrophobicContact CG2-CE2 4.17Å; T388-Y680 HydrophobicContact CG2-CG 3.78Å
389	G	75.5	Confident	87.6	Confident	1 Å²	1	24 Å²	24	1%	0.01	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-46	-164.7	0	0	0	0	0	113.6	N395	G389-N395 WeakPolarHBondContact O-CB 3.44Å; G389-N395 PolarHBondContact O-ND2 2.9Å
390	I	87.3	Confident	87.4	Confident	43 Å²	43	24.7 Å²	24.7	22%	0.221	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.3	-15.1	-178.8	64.6	173.4	0	0	0	113.9	F383 T388 Y396 L534 P540	F383-I390 HydrophobicContact CD1-CG2 4.43Å; T388-I390 VanDerWaalsContact C-N 3.34Å; T388-I390 PolarHBondContact O-N 3.18Å; I390-Y396 WeakPolarHBondContact O-CE1 3.32Å; I390-L534 HydrophobicContact CG2-CD2 3.84Å; I390-P540 HydrophobicContact CG2-CG 4.09Å
391	D	89.8	Confident	87.4	Confident	116 Å²	116	25 Å²	25	62%	0.62	14%	0.141	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-39.7	-177.4	-59	-32.6	0	0	0	111.4	T388	T388-D391 WeakPolarHBondContact CA-OD2 3.29Å; T388-D391 PolarHBondContact O-N 2.85Å
392	F	90.8	Very high	87.5	Confident	45 Å²	45	24.9 Å²	24.9	20%	0.197	14%	0.141	C	C	.	.	S	Bend	trans	-96.1	113.1	176.1	-60.7	-67.6	0	0	0	110.6	T388 A394 N395 F673 Y680	T388-F392 HydrophobicContact CG2-CE2 4.06Å; F392-A394 PolarHBondContact O-N 3.42Å; F392-A394 VanDerWaalsContact O-N 3.07Å; F392-N395 VanDerWaalsContact O-CB 3.27Å; F392-N395 WeakPolarHBondContact O-CB 3.45Å; F392-N395 PolarHBondContact O-N 3.32Å; F392-F673 HydrophobicContact CD1-CB 3.68Å; F392-F673 HydrophobicContact CD1-CD2 4.21Å; F392-F673 HydrophobicContact CD1-CG 4.2Å; F392-F673 HydrophobicContact CE1-CB 3.77Å; F392-F673 HydrophobicContact CE1-CD2 4.32Å; F392-F673 HydrophobicContact CE1-CG 4.08Å; F392-F673 HydrophobicContact CG-CB 4.49Å; F392-Y680 HydrophobicContact CE2-CD2 4.22Å; F392-Y680 HydrophobicContact CE2-CE2 4.26Å
393	R	92	Very high	87.6	Confident	34 Å²	34	25.7 Å²	25.7	13%	0.128	15%	0.148	C	C	.	.	G	3₁₀ helix	trans	-53.9	-29.2	174.2	-165	171.4	-167.5	-125.6	2.4	114.3	N395 Y396 V397 D535 G610 H661 T671	R393-N395 PolarHBondContact O-N 3.2Å; R393-Y396 HydrophobicContact CB-CE1 4.46Å; R393-Y396 HydrophobicContact CG-CE2 3.85Å; R393-Y396 PolarHBondContact O-N 3.26Å; R393-V397 HydrophobicContact CG-CG2 3.62Å; R393-V397 WeakPolarHBondContact O-CB 3.23Å; R393-V397 WeakPolarHBondContact O-CG2 3.49Å; R393-V397 PolarHBondContact O-N 2.93Å; R393-D535 WeakPolarHBondContact CD-OD1 3.4Å; R393-D535 IonicContact CZ-OD1 2.72Å; R393-D535 IonicContact CZ-OD2 3.27Å; R393-D535 IonicContact NE-OD1 2.82Å; R393-D535 PolarHBondContact NE-OD1 3.17Å; R393-D535 IonicContact NE-OD2 2.98Å; R393-D535 PolarHBondContact NE-OD2 3.44Å; R393-D535 IonicContact NH2-OD1 3Å; R393-D535 IonicContact NH2-OD2 3.04Å; R393-D535 PolarHBondContact NH2-OD2 2.51Å; R393-G610 PolarHBondContact NH1-O 3.03Å; R393-G610 VanDerWaalsContact NH2-CA 3.27Å; R393-G610 PolarHBondContact NH2-O 3.17Å; R393-H661 PolarHBondContact NE-NE2 3.2Å; R393-H661 PolarHBondContact NH2-CD2 3.12Å; R393-T671 HydrophobicContact CG-CG2 4.41Å
394	A	91.3	Very high	87.5	Confident	3 Å²	3	25.8 Å²	25.8	3%	0.025	15%	0.149	C	C	.	.	G	3₁₀ helix	trans	-54.6	-21.1	172.2	0	0	0	0	0	114.5	F392 N399 M672 H674	F392-A394 PolarHBondContact O-N 3.42Å; F392-A394 VanDerWaalsContact O-N 3.07Å; A394-N399 WeakPolarHBondContact CA-OD1 3.17Å; A394-N399 PolarHBondContact O-ND2 2.93Å; A394-N399 PolarHBondContact O-OD1 3.39Å; A394-M672 WeakPolarHBondContact CB-O 3.38Å; A394-H674 WeakPolarHBondContact CB-CE1 3.46Å
395	N	92.1	Very high	87.9	Confident	6 Å²	6	25.8 Å²	25.8	3%	0.032	15%	0.149	C	C	.	.	G	3₁₀ helix	trans	-83.8	-33.2	-173.5	-67.8	-15.7	0	0	0	113.5	F383 T388 G389 F392 R393 Y501 I523 S677	F383-N395 WeakPolarHBondContact CZ-O 3.47Å; T388-N395 PolarHBondContact O-ND2 3.43Å; T388-N395 VanDerWaalsContact O-ND2 3.16Å; G389-N395 WeakPolarHBondContact O-CB 3.44Å; G389-N395 PolarHBondContact O-ND2 2.9Å; F392-N395 VanDerWaalsContact O-CB 3.27Å; F392-N395 WeakPolarHBondContact O-CB 3.45Å; F392-N395 PolarHBondContact O-N 3.32Å; R393-N395 PolarHBondContact O-N 3.2Å; N395-Y501 VanDerWaalsContact C-OH 3.3Å; N395-Y501 WeakPolarHBondContact CA-OH 3.36Å; N395-Y501 WeakPolarHBondContact CB-OH 3.47Å; N395-Y501 WeakPolarHBondContact O-CE2 3.46Å; N395-Y501 PolarHBondContact O-OH 3.29Å; N395-I523 WeakPolarHBondContact O-CG1 3.46Å; N395-S677 PolarHBondContact ND2-OG 2.89Å; N395-S677 WeakPolarHBondContact OD1-CB 3.4Å; N395-S677 PolarHBondContact OD1-OG 3.35Å
396	Y	93	Very high	88.4	Confident	8 Å²	8	25.1 Å²	25.1	3%	0.031	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.1	-9.2	-174.5	55.3	-96.7	0	0	0	113.1	I390 R393 I523 H525 V531 L534 D535	I390-Y396 WeakPolarHBondContact O-CE1 3.32Å; R393-Y396 HydrophobicContact CB-CE1 4.46Å; R393-Y396 HydrophobicContact CG-CE2 3.85Å; R393-Y396 PolarHBondContact O-N 3.26Å; Y396-I523 WeakPolarHBondContact O-CB 3.45Å; Y396-H525 PolarHBondContact O-CD2 3.48Å; Y396-H525 PolarHBondContact O-NE2 2.81Å; Y396-V531 HydrophobicContact CD2-CG1 4.4Å; Y396-V531 HydrophobicContact CE2-CG1 4.27Å; Y396-L534 HydrophobicContact CD1-CB 4.36Å; Y396-L534 HydrophobicContact CD1-CD1 4.16Å; Y396-L534 HydrophobicContact CD2-CB 4Å; Y396-L534 HydrophobicContact CD2-CD1 3.78Å; Y396-L534 HydrophobicContact CE1-CB 4.14Å; Y396-L534 HydrophobicContact CE2-CB 3.78Å; Y396-L534 HydrophobicContact CE2-CD1 4.44Å; Y396-L534 HydrophobicContact CG-CB 4.28Å; Y396-L534 HydrophobicContact CG-CD1 3.62Å; Y396-D535 WeakPolarHBondContact CE2-OD1 3.5Å; Y396-D535 PolarHBondContact OH-OD1 2.77Å
397	V	94.2	Very high	89.2	Confident	2 Å²	2	27.7 Å²	27.7	1%	0.012	15%	0.148	C	C	.	.	S	Bend	trans	-89.9	152.5	178.5	176	0	0	0	0	111.2	R393 N399 I523 V531 T608 E609 T671	R393-V397 HydrophobicContact CG-CG2 3.62Å; R393-V397 WeakPolarHBondContact O-CB 3.23Å; R393-V397 WeakPolarHBondContact O-CG2 3.49Å; R393-V397 PolarHBondContact O-N 2.93Å; V397-N399 VanDerWaalsContact C-N 3.29Å; V397-N399 PolarHBondContact O-N 2.61Å; V397-N399 PolarHBondContact O-ND2 2.8Å; V397-I523 PolarHBondContact O-N 2.93Å; V397-V531 HydrophobicContact CG2-CG1 4.16Å; V397-T608 WeakPolarHBondContact CG1-O 3.3Å; V397-E609 WeakPolarHBondContact CG1-O 3.46Å; V397-T671 HydrophobicContact CB-CG2 4.41Å
398	M	94.2	Very high	90.3	Very high	1 Å²	1	25.3 Å²	25.3	1%	0.005	13%	0.128	C	C	.	.	B	Isolated β-bridge	trans	-67.4	92.4	159.4	-164.6	-171.9	172.4	0	0	107.8	D400 I402 I405 L425 M484 N522 T608 E609	M398-D400 VanDerWaalsContact C-N 3.3Å; M398-D400 CarbonylContact C-O 3.5Å; M398-D400 WeakPolarHBondContact CG-O 3.4Å; M398-D400 PolarHBondContact O-N 2.84Å; M398-I402 HydrophobicContact SD-CG1 4.24Å; M398-I405 HydrophobicContact CE-CD1 3.93Å; M398-I405 HydrophobicContact CE-CG1 4.02Å; M398-L425 HydrophobicContact CE-CD1 3.86Å; M398-L425 HydrophobicContact SD-CD1 3.66Å; M398-M484 HydrophobicContact CE-SD 4.45Å; M398-N522 HydrophobicContact CG-CB 3.86Å; M398-T608 HydrophobicContact CB-CG2 4.27Å; M398-T608 VanDerWaalsContact CB-O 3.3Å; M398-T608 WeakPolarHBondContact CB-O 3.46Å; M398-T608 PolarHBondContact N-O 3.4Å; M398-T608 HydrophobicContact SD-CG2 4.27Å; M398-E609 HydrophobicContact CB-CB 4.29Å
399	N	92.3	Very high	91.3	Very high	6 Å²	6	27 Å²	27	3%	0.032	14%	0.136	C	C	.	.			trans	-64.8	-33.6	-169.9	-70.2	-55.4	0	0	0	113.4	A394 V397 K519 L521 N522 R668 T671 H674	A394-N399 WeakPolarHBondContact CA-OD1 3.17Å; A394-N399 PolarHBondContact O-ND2 2.93Å; A394-N399 PolarHBondContact O-OD1 3.39Å; V397-N399 VanDerWaalsContact C-N 3.29Å; V397-N399 PolarHBondContact O-N 2.61Å; V397-N399 PolarHBondContact O-ND2 2.8Å; N399-K519 HydrophobicContact CB-CB 3.56Å; N399-K519 HydrophobicContact CB-CG 3.94Å; N399-L521 PolarHBondContact ND2-O 2.67Å; N399-N522 PolarHBondContact N-OD1 3.13Å; N399-R668 PolarHBondContact O-NH1 2.94Å; N399-T671 WeakPolarHBondContact OD1-CB 3.44Å; N399-T671 WeakPolarHBondContact OD1-CG2 3.41Å; N399-T671 PolarHBondContact OD1-OG1 3.12Å; N399-H674 VanDerWaalsContact CG-CE1 3.48Å; N399-H674 PolarHBondContact OD1-CE1 2.8Å
400	D	90.7	Very high	92.2	Very high	16 Å²	16	27 Å²	27	9%	0.086	14%	0.136	C	C	.	.	S	Bend	trans	-87.8	156.4	165.3	-153.4	-6.5	0	0	0	110.9	M398 M484 W518 K519 N522	M398-D400 VanDerWaalsContact C-N 3.3Å; M398-D400 CarbonylContact C-O 3.5Å; M398-D400 WeakPolarHBondContact CG-O 3.4Å; M398-D400 PolarHBondContact O-N 2.84Å; D400-M484 HydrophobicContact CB-CE 3.66Å; D400-M484 VanDerWaalsContact OD2-CE 3.28Å; D400-M484 WeakPolarHBondContact OD2-CE 3.29Å; D400-W518 WeakPolarHBondContact OD2-CH2 3.42Å; D400-W518 WeakPolarHBondContact OD2-CZ2 3.49Å; D400-W518 WeakPolarHBondContact OD2-CZ3 3.22Å; D400-K519 HydrophobicContact CB-CB 4.45Å; D400-N522 PolarHBondContact N-OD1 3.39Å
401	S	92.1	Very high	92.6	Very high	23 Å²	23	25 Å²	25	16%	0.161	13%	0.126	C	C	.	.			trans	-77.2	159.9	-176.6	52.5	0	0	0	0	110	V403 G404 E609 R668	S401-V403 PolarHBondContact O-N 3.44Å; S401-G404 VanDerWaalsContact O-CA 3.3Å; S401-G404 WeakPolarHBondContact O-CA 3.25Å; S401-G404 PolarHBondContact O-N 3.35Å; S401-G404 PolarHBondContact OG-N 3.36Å; S401-E609 WeakPolarHBondContact CA-OE2 3.24Å; S401-R668 VanDerWaalsContact CA-NH1 3.34Å
402	I	93	Very high	92.9	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.096	C	C	.	.	G	3₁₀ helix	trans	-57.1	-36.9	170.6	-62.4	172.4	0	0	0	110.4	V268 I292 M398 G404 I405 L425 R428 E609	V268-I402 HydrophobicContact CG1-CD1 3.98Å; I292-I402 HydrophobicContact CB-CD1 4.45Å; I292-I402 HydrophobicContact CG2-CD1 4Å; M398-I402 HydrophobicContact SD-CG1 4.24Å; I402-G404 VanDerWaalsContact C-N 3.26Å; I402-G404 PolarHBondContact O-N 3.25Å; I402-I405 WeakPolarHBondContact O-CB 3.43Å; I402-I405 WeakPolarHBondContact O-CG1 3.41Å; I402-I405 PolarHBondContact O-N 2.88Å; I402-L425 HydrophobicContact CG1-CD1 4.41Å; I402-R428 HydrophobicContact CG2-CG 3.87Å; I402-E609 PolarHBondContact N-OE2 2.94Å; I402-E609 VanDerWaalsContact N-OE2 3.17Å
403	V	93	Very high	93.2	Very high	41 Å²	41	17.3 Å²	17.3	25%	0.248	9%	0.087	C	C	.	.	G	3₁₀ helix	trans	-66.1	-26.3	172.3	-176	0	0	0	0	112.7	E290 E291 S401 I405 E406	E290-V403 WeakPolarHBondContact O-CG2 3.35Å; E291-V403 HydrophobicContact CB-CG2 4.48Å; S401-V403 PolarHBondContact O-N 3.44Å; V403-I405 PolarHBondContact O-N 3.07Å; V403-E406 PolarHBondContact O-N 3.4Å
404	G	91.4	Very high	93.4	Very high	2 Å²	2	15.7 Å²	15.7	2%	0.021	8%	0.081	C	C	.	.	G	3₁₀ helix	trans	-61.6	-27.5	177.9	0	0	0	0	0	113	S401 I402 E406 K407 S408	S401-G404 VanDerWaalsContact O-CA 3.3Å; S401-G404 WeakPolarHBondContact O-CA 3.25Å; S401-G404 PolarHBondContact O-N 3.35Å; S401-G404 PolarHBondContact OG-N 3.36Å; I402-G404 VanDerWaalsContact C-N 3.26Å; I402-G404 PolarHBondContact O-N 3.25Å; G404-E406 PolarHBondContact O-N 3.03Å; G404-K407 PolarHBondContact O-N 3.13Å; G404-S408 PolarHBondContact O-N 2.97Å
405	I	93.3	Very high	93.4	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.08	C	C	.	.	G	3₁₀ helix	trans	-54.9	-39.1	174.8	-63.1	175.1	0	0	0	111.2	M398 I402 V403 K407 S408 I411 L425 R428 I429 S432 M484	M398-I405 HydrophobicContact CE-CD1 3.93Å; M398-I405 HydrophobicContact CE-CG1 4.02Å; I402-I405 WeakPolarHBondContact O-CB 3.43Å; I402-I405 WeakPolarHBondContact O-CG1 3.41Å; I402-I405 PolarHBondContact O-N 2.88Å; V403-I405 PolarHBondContact O-N 3.07Å; I405-K407 PolarHBondContact O-N 3.03Å; I405-K407 VanDerWaalsContact O-N 3.14Å; I405-S408 PolarHBondContact O-N 3.33Å; I405-S408 VanDerWaalsContact O-N 3.16Å; I405-S408 PolarHBondContact O-OG 3.32Å; I405-I411 HydrophobicContact CG2-CD1 3.84Å; I405-L425 HydrophobicContact CD1-CD1 3.97Å; I405-L425 HydrophobicContact CD1-CD2 4.45Å; I405-L425 HydrophobicContact CD1-CG 3.8Å; I405-R428 HydrophobicContact CD1-CB 4.35Å; I405-I429 HydrophobicContact CD1-CG1 4.11Å; I405-I429 HydrophobicContact CG2-CB 4.42Å; I405-I429 HydrophobicContact CG2-CG1 3.81Å; I405-S432 PolarHBondContact O-OG 3.34Å; I405-M484 HydrophobicContact CG1-CE 4.44Å; I405-M484 HydrophobicContact CG1-SD 3.98Å
406	E	92.3	Very high	93.4	Very high	40 Å²	40	15.3 Å²	15.3	19%	0.187	8%	0.078	C	C	.	.	G	3₁₀ helix	trans	-66.9	-14.8	-179.7	-59	-174.5	176	0	0	113	V403 G404 R428 K431 H436	V403-E406 PolarHBondContact O-N 3.4Å; G404-E406 PolarHBondContact O-N 3.03Å; E406-R428 IonicContact OE1-CZ 3.77Å; E406-R428 IonicContact OE1-NH1 3.5Å; E406-R428 PolarHBondContact OE1-NH1 2.77Å; E406-K431 IonicContact OE1-NZ 3.67Å; E406-K431 PolarHBondContact OE1-NZ 2.96Å; E406-K431 IonicContact OE2-NZ 3.64Å; E406-H436 PolarHBondContact O-CD2 2.83Å; E406-H436 VanDerWaalsContact O-CD2 3.23Å; E406-H436 PolarHBondContact O-NE2 3.31Å
407	K	92	Very high	93.5	Very high	123 Å²	123	14.9 Å²	14.9	54%	0.535	8%	0.077	S	C	.	.	G	3₁₀ helix	trans	-101.6	-12.2	177.9	-62.9	177	-175.8	170.7	0	113.1	G404 I405 K482 W518	G404-K407 PolarHBondContact O-N 3.13Å; I405-K407 PolarHBondContact O-N 3.03Å; I405-K407 VanDerWaalsContact O-N 3.14Å; K407-K482 WeakPolarHBondContact O-CD 3.38Å; K407-W518 HydrophobicContact CB-CH2 3.98Å; K407-W518 HydrophobicContact CB-CZ3 4.13Å
408	S	92.9	Very high	93.6	Very high	6 Å²	6	14.8 Å²	14.8	4%	0.042	8%	0.076	C	C	.	.			trans	-71	148.8	-178.9	65.9	0	0	0	0	111.4	G404 I405 I411	G404-S408 PolarHBondContact O-N 2.97Å; I405-S408 PolarHBondContact O-N 3.33Å; I405-S408 VanDerWaalsContact O-N 3.16Å; I405-S408 PolarHBondContact O-OG 3.32Å; S408-I411 WeakPolarHBondContact OG-CD1 3.02Å; S408-I411 WeakPolarHBondContact OG-CG1 3.01Å
409	D	93	Very high	93.6	Very high	50 Å²	50	15.7 Å²	15.7	27%	0.267	8%	0.079	S	C	.	.	S	Bend	trans	-108.9	-26.7	176.8	56.5	-7.3	0	0	0	112.9	E439 A480 K481 K482	D409-E439 PolarHBondContact O-N 3.47Å; D409-E439 VanDerWaalsContact O-N 3.15Å; D409-A480 WeakPolarHBondContact OD1-CB 3.3Å; D409-K481 WeakPolarHBondContact OD2-CA 3.38Å; D409-K481 WeakPolarHBondContact OD2-CB 3.44Å; D409-K481 PolarHBondContact OD2-N 3.49Å; D409-K482 VanDerWaalsContact OD1-CA 3.26Å; D409-K482 WeakPolarHBondContact OD1-CA 3.2Å; D409-K482 PolarHBondContact OD1-N 2.72Å; D409-K482 PolarHBondContact OD2-N 3.43Å; D409-K482 VanDerWaalsContact OD2-N 3.16Å
410	F	95.1	Very high	93.7	Very high	3 Å²	3	15.9 Å²	15.9	1%	0.013	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	123.8	171.4	-175.6	-93.8	0	0	0	111	L412 E439 F456 R476 L477 A480 P483 M484	F410-L412 HydrophobicContact CE1-CB 4.06Å; F410-E439 WeakPolarHBondContact CA-O 3.26Å; F410-E439 HydrophobicContact CD2-CB 3.81Å; F410-E439 HydrophobicContact CD2-CG 3.69Å; F410-E439 HydrophobicContact CE2-CB 4.41Å; F410-E439 HydrophobicContact CE2-CG 3.79Å; F410-F456 HydrophobicContact CZ-CE2 4.45Å; F410-R476 HydrophobicContact CD2-CB 4.44Å; F410-R476 HydrophobicContact CE2-CB 3.96Å; F410-R476 HydrophobicContact CZ-CB 4Å; F410-L477 HydrophobicContact CD1-CD2 3.52Å; F410-L477 HydrophobicContact CD1-CG 4.1Å; F410-L477 HydrophobicContact CE1-CD2 3.63Å; F410-L477 HydrophobicContact CE1-CG 3.83Å; F410-A480 HydrophobicContact CB-CB 3.67Å; F410-P483 WeakPolarHBondContact O-CA 3.32Å; F410-M484 PolarHBondContact O-N 3.18Å
411	I	96.5	Very high	93.9	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	126.7	173.7	-66.6	172.7	0	0	0	109.9	I405 S408 L413 I429 L438 E439 I440 G441 M484 I486	I405-I411 HydrophobicContact CG2-CD1 3.84Å; S408-I411 WeakPolarHBondContact OG-CD1 3.02Å; S408-I411 WeakPolarHBondContact OG-CG1 3.01Å; I411-L413 HydrophobicContact CG2-CD2 3.76Å; I411-L413 HydrophobicContact CG2-CG 4.22Å; I411-I429 HydrophobicContact CD1-CG1 4.27Å; I411-I429 HydrophobicContact CD1-CG2 4.35Å; I411-L438 HydrophobicContact CD1-CD1 4.1Å; I411-L438 HydrophobicContact CD1-CD2 3.71Å; I411-L438 HydrophobicContact CD1-CG 4.48Å; I411-L438 HydrophobicContact CG1-CD1 3.94Å; I411-L438 HydrophobicContact CG1-CD2 4.42Å; I411-E439 PolarHBondContact N-O 3.04Å; I411-I440 WeakPolarHBondContact O-CA 3.19Å; I411-G441 PolarHBondContact O-N 3.37Å; I411-M484 CarbonylContact C-O 3.53Å; I411-M484 VanDerWaalsContact CA-O 3.31Å; I411-M484 WeakPolarHBondContact CA-O 3.43Å; I411-M484 HydrophobicContact CG1-CB 4.14Å; I411-I486 HydrophobicContact CG2-CD1 4Å; I411-I486 HydrophobicContact CG2-CG1 4.32Å
412	L	96.8	Very high	94	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	115.9	168.8	-177.4	67.4	0	0	0	110.4	F410 V414 G441 I443 F456 M466 V473 L477 M484 I485 I486	F410-L412 HydrophobicContact CE1-CB 4.06Å; L412-V414 HydrophobicContact CD2-CG2 4.01Å; L412-V414 HydrophobicContact CG-CG2 3.94Å; L412-G441 CarbonylContact C-O 3.6Å; L412-G441 WeakPolarHBondContact CA-O 3.38Å; L412-I443 HydrophobicContact CD1-CD1 4.02Å; L412-I443 HydrophobicContact CD1-CG1 4.1Å; L412-I443 HydrophobicContact CD2-CD1 4.11Å; L412-I443 HydrophobicContact CG-CD1 4.46Å; L412-F456 HydrophobicContact CD1-CD2 4.21Å; L412-F456 HydrophobicContact CD1-CE2 4.17Å; L412-M466 HydrophobicContact CD2-CE 3.66Å; L412-M466 HydrophobicContact CD2-SD 4.4Å; L412-V473 HydrophobicContact CD1-CG1 3.81Å; L412-V473 HydrophobicContact CD2-CG1 3.71Å; L412-V473 HydrophobicContact CG-CG1 4.38Å; L412-L477 HydrophobicContact CD2-CD1 4.14Å; L412-M484 PolarHBondContact N-O 3.29Å; L412-I485 HydrophobicContact CB-CG1 4.29Å; L412-I485 HydrophobicContact CD2-CG1 4.39Å; L412-I485 HydrophobicContact CD2-CG2 4.33Å; L412-I485 CarbonylContact O-C 3.52Å; L412-I485 WeakPolarHBondContact O-CA 3.42Å; L412-I486 PolarHBondContact O-N 2.97Å
413	L	96.7	Very high	94.1	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	124.8	171.6	-56.5	179.9	0	0	0	109.7	I411 P418 I429 I440 G441 M442 I443 L449 I486	I411-L413 HydrophobicContact CG2-CD2 3.76Å; I411-L413 HydrophobicContact CG2-CG 4.22Å; L413-P418 HydrophobicContact CD1-CG 3.9Å; L413-P418 HydrophobicContact CD2-CG 4.41Å; L413-I429 HydrophobicContact CD2-CD1 4.35Å; L413-I440 HydrophobicContact CD1-CG2 4.24Å; L413-I440 HydrophobicContact CG-CG2 4.41Å; L413-G441 PolarHBondContact N-O 2.79Å; L413-M442 HydrophobicContact CB-CG 4.39Å; L413-M442 CarbonylContact O-C 3.51Å; L413-M442 WeakPolarHBondContact O-CA 3.39Å; L413-I443 PolarHBondContact O-N 2.88Å; L413-L449 HydrophobicContact CD1-CD1 3.57Å; L413-I486 WeakPolarHBondContact CA-O 3.16Å; L413-I486 HydrophobicContact CD2-CB 3.88Å; L413-I486 HydrophobicContact CD2-CD1 4.08Å; L413-I486 HydrophobicContact CD2-CG1 4.39Å; L413-I486 HydrophobicContact CD2-CG2 4.4Å
414	V	95.2	Very high	94.3	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	109.8	-179.7	-172.1	0	0	0	0	109.9	L412 A416 I443 L463 I485 I486 V487 S488 L491 L504	L412-V414 HydrophobicContact CD2-CG2 4.01Å; L412-V414 HydrophobicContact CG-CG2 3.94Å; V414-A416 PolarHBondContact O-N 2.65Å; V414-I443 HydrophobicContact CG1-CB 4.48Å; V414-I443 HydrophobicContact CG2-CD1 4.5Å; V414-L463 HydrophobicContact CG1-CD1 4.03Å; V414-L463 HydrophobicContact CG1-CD2 4.09Å; V414-I485 HydrophobicContact CG2-CG2 4.06Å; V414-I486 PolarHBondContact N-O 3.01Å; V414-V487 HydrophobicContact CB-CG1 4.41Å; V414-V487 HydrophobicContact CB-CG2 4.26Å; V414-V487 HydrophobicContact CG2-CG2 4.47Å; V414-S488 PolarHBondContact O-N 2.8Å; V414-L491 HydrophobicContact CG1-CD2 3.92Å; V414-L504 HydrophobicContact CG2-CD2 4.17Å
415	G	91.7	Very high	94.5	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	6%	0.059	C	C	.	.	S	Bend	trans	60	10.6	-178	0	0	0	0	0	114.5	I443	G415-I443 PolarHBondContact N-O 3.45Å
416	A	92.8	Very high	94.6	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	6%	0.059	C	C	.	.			trans	-98.6	132.4	-173.8	0	0	0	0	0	110.7	V414 P418 M442	V414-A416 PolarHBondContact O-N 2.65Å; A416-P418 VanDerWaalsContact C-CD 3.46Å; A416-P418 VanDerWaalsContact O-CD 3.29Å; A416-P418 WeakPolarHBondContact O-CD 3.48Å; A416-M442 WeakPolarHBondContact O-CE 3.39Å
417	N	95.2	Very high	94.8	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	5%	0.053	C	C	.	.			trans	-109.3	81.3	161.8	-171.8	-8.6	0	0	0	108.3	R419 F420 E421 V447 L449 P699	N417-R419 PolarHBondContact O-N 3.44Å; N417-R419 VanDerWaalsContact OD1-CB 3.29Å; N417-R419 WeakPolarHBondContact OD1-CB 3.19Å; N417-R419 PolarHBondContact OD1-N 3.35Å; N417-F420 WeakPolarHBondContact ND2-CD2 3.28Å; N417-F420 WeakPolarHBondContact ND2-CE2 3.44Å; N417-F420 PolarHBondContact O-N 3.3Å; N417-F420 VanDerWaalsContact O-N 3.12Å; N417-E421 WeakPolarHBondContact O-CB 3.32Å; N417-E421 WeakPolarHBondContact O-CG 3.47Å; N417-E421 PolarHBondContact O-N 3.46Å; N417-V447 HydrophobicContact CB-CG2 4.34Å; N417-L449 WeakPolarHBondContact OD1-CD2 3.45Å; N417-P699 PolarHBondContact ND2-O 2.83Å
418	P	95.2	Very high	95	Very high	0 Å²	0	5.7 Å²	5.7	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-59	-25.8	-176.2	24.7	-34.7	0	0	0	111.9	L413 A416 F420 A422 L425 N426 I429 L449 L524	L413-P418 HydrophobicContact CD1-CG 3.9Å; L413-P418 HydrophobicContact CD2-CG 4.41Å; A416-P418 VanDerWaalsContact C-CD 3.46Å; A416-P418 VanDerWaalsContact O-CD 3.29Å; A416-P418 WeakPolarHBondContact O-CD 3.48Å; P418-F420 VanDerWaalsContact C-N 3.32Å; P418-F420 PolarHBondContact O-N 3.43Å; P418-A422 CarbonylContact O-C 3.57Å; P418-A422 WeakPolarHBondContact O-CA 3.3Å; P418-A422 PolarHBondContact O-N 3.12Å; P418-L425 HydrophobicContact CB-CD2 3.88Å; P418-N426 HydrophobicContact CB-CB 4.18Å; P418-I429 HydrophobicContact CB-CD1 4.33Å; P418-I429 HydrophobicContact CG-CD1 4.24Å; P418-L449 HydrophobicContact CG-CD2 4.15Å; P418-L524 HydrophobicContact CB-CD2 4.28Å
419	R	95.4	Very high	95.1	Very high	19 Å²	19	5.4 Å²	5.4	7%	0.072	3%	0.027	C	C	.	.	H	α-helix	trans	-56.3	-43.7	177.2	-171.5	-177.8	177.3	178.2	2.1	112.3	E228 N417 P423 N426 D448 L449	E228-R419 VanDerWaalsContact CD-CG 3.43Å; E228-R419 HydrophobicContact CG-CG 4.13Å; E228-R419 WeakPolarHBondContact CG-O 3.43Å; E228-R419 WeakPolarHBondContact OE1-CG 3.34Å; E228-R419 IonicContact OE1-NE 2.78Å; E228-R419 IonicContact OE2-CZ 3.69Å; E228-R419 IonicContact OE2-NE 2.75Å; E228-R419 PolarHBondContact OE2-NE 2.73Å; E228-R419 IonicContact OE2-NH2 3.96Å; E228-R419 PolarHBondContact OE2-NH2 3.15Å; N417-R419 PolarHBondContact O-N 3.44Å; N417-R419 VanDerWaalsContact OD1-CB 3.29Å; N417-R419 WeakPolarHBondContact OD1-CB 3.19Å; N417-R419 PolarHBondContact OD1-N 3.35Å; R419-P423 WeakPolarHBondContact O-CA 3.41Å; R419-P423 VanDerWaalsContact O-CG 3.31Å; R419-P423 WeakPolarHBondContact O-CG 3.36Å; R419-N426 HydrophobicContact CB-CB 4.48Å; R419-D448 WeakPolarHBondContact CD-O 3.31Å; R419-D448 IonicContact CZ-OD2 3.12Å; R419-D448 PolarHBondContact NH1-O 3Å; R419-D448 IonicContact NH1-OD1 3.07Å; R419-D448 IonicContact NH1-OD2 3.98Å; R419-D448 PolarHBondContact NH1-OD2 3.18Å; R419-L449 HydrophobicContact CB-CD2 4.31Å
420	F	94.5	Very high	95.3	Very high	11 Å²	11	3.3 Å²	3.3	5%	0.048	2%	0.016	C	C	.	.	H	α-helix	trans	-102.4	-27.1	-177.2	-57.9	-40.9	0	0	0	113.5	E228 N417 P418 P699 L702 F705	E228-F420 HydrophobicContact CB-CD1 4.48Å; N417-F420 WeakPolarHBondContact ND2-CD2 3.28Å; N417-F420 WeakPolarHBondContact ND2-CE2 3.44Å; N417-F420 PolarHBondContact O-N 3.3Å; N417-F420 VanDerWaalsContact O-N 3.12Å; P418-F420 VanDerWaalsContact C-N 3.32Å; P418-F420 PolarHBondContact O-N 3.43Å; F420-P699 HydrophobicContact CB-CB 4.04Å; F420-P699 HydrophobicContact CB-CG 3.7Å; F420-P699 HydrophobicContact CD2-CB 3.98Å; F420-P699 HydrophobicContact CG-CB 4.38Å; F420-L702 HydrophobicContact CD1-CD1 4.44Å; F420-L702 HydrophobicContact CE1-CB 4.27Å; F420-L702 HydrophobicContact CE1-CD1 3.76Å; F420-L702 HydrophobicContact CZ-CB 4.2Å; F420-F705 HydrophobicContact CB-CB 4.14Å; F420-F705 HydrophobicContact CB-CD2 3.93Å; F420-F705 HydrophobicContact CB-CG 4.39Å; F420-F705 HydrophobicContact CD1-CB 3.78Å; F420-F705 HydrophobicContact CD1-CD2 4.22Å; F420-F705 HydrophobicContact CD1-CG 4.02Å; F420-F705 HydrophobicContact CE1-CB 4.45Å; F420-F705 HydrophobicContact CG-CB 4.03Å; F420-F705 HydrophobicContact CG-CD2 4.47Å; F420-F705 WeakPolarHBondContact O-CD2 3.5Å; F420-F705 WeakPolarHBondContact O-CE2 3.34Å
421	E	93.2	Very high	95.3	Very high	10 Å²	10	5.7 Å²	5.7	5%	0.047	3%	0.026	C	C	.	.	H	α-helix	trans	-76.5	-40	177.3	-66.3	177.2	158.6	0	0	112.3	N417 S488 L524 R526	N417-E421 WeakPolarHBondContact O-CB 3.32Å; N417-E421 WeakPolarHBondContact O-CG 3.47Å; N417-E421 PolarHBondContact O-N 3.46Å; E421-S488 WeakPolarHBondContact OE1-CB 3.42Å; E421-S488 PolarHBondContact OE1-OG 3.36Å; E421-S488 VanDerWaalsContact OE2-CB 3.23Å; E421-S488 WeakPolarHBondContact OE2-CB 3.37Å; E421-S488 PolarHBondContact OE2-OG 3.3Å; E421-L524 HydrophobicContact CB-CD2 4.26Å; E421-R526 HydrophobicContact CB-CG 4.18Å; E421-R526 HydrophobicContact CG-CG 3.93Å; E421-R526 WeakPolarHBondContact OE1-CD 3.41Å
422	A	95	Very high	95.2	Very high	1 Å²	1	5.8 Å²	5.8	1%	0.008	3%	0.026	C	C	.	.			trans	-147.3	71.8	-177.6	0	0	0	0	0	110.8	V268 P418 V424 L425 N426 L524	V268-A422 HydrophobicContact CG2-CB 3.49Å; V268-A422 VanDerWaalsContact CG2-CB 3.49Å; P418-A422 CarbonylContact O-C 3.57Å; P418-A422 WeakPolarHBondContact O-CA 3.3Å; P418-A422 PolarHBondContact O-N 3.12Å; A422-V424 PolarHBondContact O-N 2.66Å; A422-L425 HydrophobicContact CB-CB 3.84Å; A422-L425 WeakPolarHBondContact O-CA 3.44Å; A422-L425 WeakPolarHBondContact O-CB 3.42Å; A422-L425 PolarHBondContact O-N 3.36Å; A422-N426 PolarHBondContact O-N 3.44Å; A422-L524 HydrophobicContact CB-CD1 3.73Å; A422-L524 HydrophobicContact CB-CD2 4.25Å; A422-L524 HydrophobicContact CB-CG 4.45Å
423	P	96.1	Very high	95.1	Very high	1 Å²	1	9.6 Å²	9.6	1%	0.006	4%	0.041	C	C	.	.	H	α-helix	trans	-49.3	-40.8	-172.8	-31	35.6	0	0	0	114.8	E228 L229 R419 N426 A427 F705	E228-P423 HydrophobicContact CB-CB 4.47Å; E228-P423 HydrophobicContact CB-CG 4.41Å; E228-P423 HydrophobicContact CG-CB 3.71Å; E228-P423 HydrophobicContact CG-CG 4.08Å; L229-P423 HydrophobicContact CD2-CB 4.07Å; L229-P423 HydrophobicContact CG-CB 4.22Å; R419-P423 WeakPolarHBondContact O-CA 3.41Å; R419-P423 VanDerWaalsContact O-CG 3.31Å; R419-P423 WeakPolarHBondContact O-CG 3.36Å; P423-N426 WeakPolarHBondContact O-CB 3.48Å; P423-N426 PolarHBondContact O-N 2.85Å; P423-A427 PolarHBondContact O-N 3.35Å; P423-F705 HydrophobicContact CG-CE2 3.64Å; P423-F705 HydrophobicContact CG-CZ 3.85Å
424	V	95.6	Very high	95	Very high	2 Å²	2	12.8 Å²	12.8	1%	0.012	6%	0.057	C	C	.	.	H	α-helix	trans	-67.9	-36.9	179.8	173.5	0	0	0	0	111.8	L229 V268 N293 A422 A427 R428	L229-V424 HydrophobicContact CD2-CG2 4.48Å; V268-V424 HydrophobicContact CG1-CB 4.34Å; V268-V424 HydrophobicContact CG1-CG1 4.37Å; N293-V424 VanDerWaalsContact CA-CG1 3.46Å; N293-V424 HydrophobicContact CB-CG1 3.65Å; A422-V424 PolarHBondContact O-N 2.66Å; V424-A427 WeakPolarHBondContact O-CB 3.4Å; V424-A427 PolarHBondContact O-N 2.74Å; V424-R428 PolarHBondContact O-N 2.98Å
425	L	95.6	Very high	94.8	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-67.4	-39.3	173.4	-178.5	133.3	0	0	0	110.6	M398 I402 I405 P418 A422 A427 R428 I429 L524	M398-L425 HydrophobicContact CE-CD1 3.86Å; M398-L425 HydrophobicContact SD-CD1 3.66Å; I402-L425 HydrophobicContact CG1-CD1 4.41Å; I405-L425 HydrophobicContact CD1-CD1 3.97Å; I405-L425 HydrophobicContact CD1-CD2 4.45Å; I405-L425 HydrophobicContact CD1-CG 3.8Å; P418-L425 HydrophobicContact CB-CD2 3.88Å; A422-L425 HydrophobicContact CB-CB 3.84Å; A422-L425 WeakPolarHBondContact O-CA 3.44Å; A422-L425 WeakPolarHBondContact O-CB 3.42Å; A422-L425 PolarHBondContact O-N 3.36Å; L425-A427 VanDerWaalsContact C-N 3.33Å; L425-A427 PolarHBondContact O-N 3.02Å; L425-R428 WeakPolarHBondContact O-CB 3.37Å; L425-R428 PolarHBondContact O-N 3.24Å; L425-R428 VanDerWaalsContact O-N 3.13Å; L425-I429 HydrophobicContact CD2-CD1 3.8Å; L425-I429 WeakPolarHBondContact O-CG1 3.49Å; L425-I429 PolarHBondContact O-N 3.38Å; L425-L524 HydrophobicContact CD1-CD1 4.21Å; L425-L524 HydrophobicContact CD2-CD1 4.39Å; L425-L524 HydrophobicContact CD2-CD2 4.46Å
426	N	96.6	Very high	94.6	Very high	1 Å²	1	22.4 Å²	22.4	1%	0.005	10%	0.098	C	C	.	.	H	α-helix	trans	-61.4	-40	173	-164.7	53.2	0	0	0	112.5	P418 R419 A422 P423 R428 I429 R430 L449 Y451	P418-N426 HydrophobicContact CB-CB 4.18Å; R419-N426 HydrophobicContact CB-CB 4.48Å; A422-N426 PolarHBondContact O-N 3.44Å; P423-N426 WeakPolarHBondContact O-CB 3.48Å; P423-N426 PolarHBondContact O-N 2.85Å; N426-R428 VanDerWaalsContact C-N 3.26Å; N426-R428 PolarHBondContact O-N 3.42Å; N426-I429 PolarHBondContact O-N 3.26Å; N426-R430 WeakPolarHBondContact O-CB 3.39Å; N426-R430 PolarHBondContact O-N 2.9Å; N426-L449 PolarHBondContact ND2-O 3.28Å; N426-Y451 WeakPolarHBondContact OD1-CE1 3.39Å; N426-Y451 PolarHBondContact OD1-OH 2.98Å
427	A	95.7	Very high	94.4	Very high	8 Å²	8	30.8 Å²	30.8	7%	0.066	14%	0.143	C	C	.	.	H	α-helix	trans	-60.9	-34.6	174.3	0	0	0	0	0	112.5	I200 L229 P423 V424 L425 K431	I200-A427 HydrophobicContact CG2-CB 4.06Å; L229-A427 HydrophobicContact CD1-CB 3.72Å; P423-A427 PolarHBondContact O-N 3.35Å; V424-A427 WeakPolarHBondContact O-CB 3.4Å; V424-A427 PolarHBondContact O-N 2.74Å; L425-A427 VanDerWaalsContact C-N 3.33Å; L425-A427 PolarHBondContact O-N 3.02Å; A427-K431 VanDerWaalsContact O-CB 3.24Å; A427-K431 WeakPolarHBondContact O-CB 3.41Å; A427-K431 PolarHBondContact O-N 2.86Å
428	R	95.4	Very high	94.3	Very high	7 Å²	7	31.1 Å²	31.1	3%	0.026	15%	0.145	C	C	.	.	H	α-helix	trans	-69.3	-41.4	173.5	-68.6	-70.7	-165	150.7	11.1	112.6	E290 I292 E294 I402 I405 E406 V424 L425 N426 K431 S432	E290-R428 PolarHBondContact O-NH2 2.99Å; I292-R428 PolarHBondContact O-NH2 3.31Å; E294-R428 IonicContact OE1-CZ 2.7Å; E294-R428 IonicContact OE1-NH1 3.35Å; E294-R428 PolarHBondContact OE1-NH1 2.93Å; E294-R428 VanDerWaalsContact OE1-NH1 3.16Å; I402-R428 HydrophobicContact CG2-CG 3.87Å; I405-R428 HydrophobicContact CD1-CB 4.35Å; E406-R428 IonicContact OE1-CZ 3.77Å; E406-R428 IonicContact OE1-NH1 3.5Å; E406-R428 PolarHBondContact OE1-NH1 2.77Å; V424-R428 PolarHBondContact O-N 2.98Å; L425-R428 WeakPolarHBondContact O-CB 3.37Å; L425-R428 PolarHBondContact O-N 3.24Å; L425-R428 VanDerWaalsContact O-N 3.13Å; N426-R428 VanDerWaalsContact C-N 3.26Å; N426-R428 PolarHBondContact O-N 3.42Å; R428-K431 PolarHBondContact O-N 2.87Å; R428-S432 WeakPolarHBondContact O-CB 3.35Å; R428-S432 PolarHBondContact O-N 2.67Å
429	I	96.3	Very high	94.3	Very high	0 Å²	0	35 Å²	35	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-60.9	-48.6	174.1	-63.7	170.5	0	0	0	109.6	I405 I411 L413 P418 L425 N426 K431 S432 W433 L438 I440 Y451 I486	I405-I429 HydrophobicContact CD1-CG1 4.11Å; I405-I429 HydrophobicContact CG2-CB 4.42Å; I405-I429 HydrophobicContact CG2-CG1 3.81Å; I411-I429 HydrophobicContact CD1-CG1 4.27Å; I411-I429 HydrophobicContact CD1-CG2 4.35Å; L413-I429 HydrophobicContact CD2-CD1 4.35Å; P418-I429 HydrophobicContact CB-CD1 4.33Å; P418-I429 HydrophobicContact CG-CD1 4.24Å; L425-I429 HydrophobicContact CD2-CD1 3.8Å; L425-I429 WeakPolarHBondContact O-CG1 3.49Å; L425-I429 PolarHBondContact O-N 3.38Å; N426-I429 PolarHBondContact O-N 3.26Å; I429-K431 PolarHBondContact O-N 3.46Å; I429-S432 WeakPolarHBondContact O-CB 3.44Å; I429-S432 PolarHBondContact O-N 3.41Å; I429-W433 PolarHBondContact O-N 3.45Å; I429-L438 HydrophobicContact CG2-CD2 4.39Å; I429-I440 HydrophobicContact CG2-CD1 3.52Å; I429-I440 HydrophobicContact CG2-CG1 4.5Å; I429-Y451 HydrophobicContact CB-CE1 4.35Å; I429-Y451 HydrophobicContact CG2-CE1 4.01Å; I429-Y451 HydrophobicContact CG2-CE2 4.04Å; I429-Y451 WeakPolarHBondContact CG2-OH 3.47Å; I429-I486 HydrophobicContact CD1-CD1 4.22Å
430	R	95.9	Very high	94.4	Very high	7 Å²	7	34.3 Å²	34.3	3%	0.026	16%	0.16	C	C	.	.	H	α-helix	trans	-58.1	-46.8	176.5	-175.1	-177.3	179.4	69	9.1	112.1	N198 E199 I200 N426 S432 W433 I434 T450 Y451	N198-R430 PolarHBondContact O-NH2 3.4Å; E199-R430 VanDerWaalsContact O-CD 3.24Å; E199-R430 WeakPolarHBondContact O-CD 3.24Å; E199-R430 PolarHBondContact O-NE 2.87Å; I200-R430 WeakPolarHBondContact O-CD 3.43Å; N426-R430 WeakPolarHBondContact O-CB 3.39Å; N426-R430 PolarHBondContact O-N 2.9Å; R430-S432 VanDerWaalsContact C-N 3.3Å; R430-S432 PolarHBondContact O-N 3.42Å; R430-W433 WeakPolarHBondContact O-CB 3.31Å; R430-W433 PolarHBondContact O-N 2.89Å; R430-I434 HydrophobicContact CG-CD1 4.2Å; R430-I434 WeakPolarHBondContact O-CG1 3.17Å; R430-I434 PolarHBondContact O-N 3.21Å; R430-T450 PolarHBondContact NH1-O 3.24Å; R430-T450 PolarHBondContact NH1-OG1 3.49Å; R430-Y451 HydrophobicContact CB-CD1 3.7Å; R430-Y451 HydrophobicContact CB-CE1 4.05Å; R430-Y451 HydrophobicContact CG-CD1 4.02Å
431	K	95	Very high	94.4	Very high	53 Å²	53	33.8 Å²	33.8	23%	0.23	16%	0.158	C	C	.	.	H	α-helix	trans	-56.9	-46.8	176.4	179.8	-172.3	174.3	-162.7	0	110.5	E294 E406 A427 R428 I429 I434 Y435	E294-K431 IonicContact OE1-NZ 3.72Å; E294-K431 PolarHBondContact OE1-NZ 3.3Å; E406-K431 IonicContact OE1-NZ 3.67Å; E406-K431 PolarHBondContact OE1-NZ 2.96Å; E406-K431 IonicContact OE2-NZ 3.64Å; A427-K431 VanDerWaalsContact O-CB 3.24Å; A427-K431 WeakPolarHBondContact O-CB 3.41Å; A427-K431 PolarHBondContact O-N 2.86Å; R428-K431 PolarHBondContact O-N 2.87Å; I429-K431 PolarHBondContact O-N 3.46Å; K431-I434 PolarHBondContact O-N 2.87Å; K431-Y435 HydrophobicContact CG-CD2 3.78Å; K431-Y435 HydrophobicContact CG-CE2 4.02Å; K431-Y435 VanDerWaalsContact O-CD2 3.23Å; K431-Y435 WeakPolarHBondContact O-CD2 3.38Å; K431-Y435 PolarHBondContact O-N 2.85Å; K431-Y435 VanDerWaalsContact O-N 3.09Å
432	S	94.6	Very high	94.5	Very high	1 Å²	1	33.3 Å²	33.3	1%	0.007	16%	0.156	C	C	.	.	H	α-helix	trans	-60.9	-43.7	176.2	-164.2	0	0	0	0	111.5	I405 R428 I429 R430 I434 Y435 H436	I405-S432 PolarHBondContact O-OG 3.34Å; R428-S432 WeakPolarHBondContact O-CB 3.35Å; R428-S432 PolarHBondContact O-N 2.67Å; I429-S432 WeakPolarHBondContact O-CB 3.44Å; I429-S432 PolarHBondContact O-N 3.41Å; R430-S432 VanDerWaalsContact C-N 3.3Å; R430-S432 PolarHBondContact O-N 3.42Å; S432-I434 VanDerWaalsContact C-N 3.34Å; S432-I434 PolarHBondContact O-N 3.01Å; S432-Y435 PolarHBondContact O-N 2.98Å; S432-H436 CarbonylContact O-C 3.54Å; S432-H436 VanDerWaalsContact O-CA 3.23Å; S432-H436 WeakPolarHBondContact O-CA 3.22Å; S432-H436 WeakPolarHBondContact O-CB 3.23Å; S432-H436 PolarHBondContact O-N 3.47Å
433	W	95.6	Very high	94.5	Very high	81 Å²	81	33.3 Å²	33.3	31%	0.307	16%	0.155	S	C	.	.	H	α-helix	trans	-61.6	-33.5	175.2	178.3	82	0	0	0	114.6	I429 R430 H436 I440 D452	I429-W433 PolarHBondContact O-N 3.45Å; R430-W433 WeakPolarHBondContact O-CB 3.31Å; R430-W433 PolarHBondContact O-N 2.89Å; W433-H436 CarbonylContact C-O 3.52Å; W433-H436 VanDerWaalsContact O-O 3.13Å; W433-I440 HydrophobicContact CB-CD1 4.22Å; W433-I440 HydrophobicContact CG-CD1 4.41Å; W433-D452 HydrophobicContact CZ2-CB 3.97Å
434	I	93.5	Very high	94.3	Very high	66 Å²	66	33.2 Å²	33.2	34%	0.338	16%	0.155	S	C	.	.	H	α-helix	trans	-76.4	-42.7	178.1	-67.5	175.6	0	0	0	111.9	E199 R430 K431 S432	E199-I434 HydrophobicContact CB-CD1 4.33Å; E199-I434 WeakPolarHBondContact O-CD1 3.44Å; R430-I434 HydrophobicContact CG-CD1 4.2Å; R430-I434 WeakPolarHBondContact O-CG1 3.17Å; R430-I434 PolarHBondContact O-N 3.21Å; K431-I434 PolarHBondContact O-N 2.87Å; S432-I434 VanDerWaalsContact C-N 3.34Å; S432-I434 PolarHBondContact O-N 3.01Å
435	Y	91.4	Very high	94.1	Very high	116 Å²	116	34.3 Å²	34.3	46%	0.455	16%	0.162	S	C	.	.	H	α-helix	trans	-98.6	-20	-170.9	-66.7	-67.2	0	0	0	113.9	K431 S432	K431-Y435 HydrophobicContact CG-CD2 3.78Å; K431-Y435 HydrophobicContact CG-CE2 4.02Å; K431-Y435 VanDerWaalsContact O-CD2 3.23Å; K431-Y435 WeakPolarHBondContact O-CD2 3.38Å; K431-Y435 PolarHBondContact O-N 2.85Å; K431-Y435 VanDerWaalsContact O-N 3.09Å; S432-Y435 PolarHBondContact O-N 2.98Å
436	H	89	Confident	93.9	Very high	87 Å²	87	38 Å²	38	40%	0.403	19%	0.185	S	C	.	.	S	Bend	trans	-123.2	145.1	178.2	-53.5	-50.7	0	0	0	108.4	E406 S432 W433 L438	E406-H436 PolarHBondContact O-CD2 2.83Å; E406-H436 VanDerWaalsContact O-CD2 3.23Å; E406-H436 PolarHBondContact O-NE2 3.31Å; S432-H436 CarbonylContact O-C 3.54Å; S432-H436 VanDerWaalsContact O-CA 3.23Å; S432-H436 WeakPolarHBondContact O-CA 3.22Å; S432-H436 WeakPolarHBondContact O-CB 3.23Å; S432-H436 PolarHBondContact O-N 3.47Å; W433-H436 CarbonylContact C-O 3.52Å; W433-H436 VanDerWaalsContact O-O 3.13Å; H436-L438 PolarHBondContact O-N 3.18Å
437	D	87.5	Confident	93.7	Very high	175 Å²	175	38.6 Å²	38.6	94%	0.936	19%	0.189	S	C	*	.			trans	-75.5	63.6	177.2	-165	22	0	0	0	109.6
438	L	93.7	Very high	93.6	Very high	8 Å²	8	43 Å²	43	4%	0.042	21%	0.212	C	C	.	.			trans	-84.9	119.4	-174.8	171.3	66.3	0	0	0	109.7	I411 I429 H436 I440	I411-L438 HydrophobicContact CD1-CD1 4.1Å; I411-L438 HydrophobicContact CD1-CD2 3.71Å; I411-L438 HydrophobicContact CD1-CG 4.48Å; I411-L438 HydrophobicContact CG1-CD1 3.94Å; I411-L438 HydrophobicContact CG1-CD2 4.42Å; I429-L438 HydrophobicContact CG2-CD2 4.39Å; H436-L438 PolarHBondContact O-N 3.18Å; L438-I440 HydrophobicContact CD2-CD1 4.03Å; L438-I440 HydrophobicContact CD2-CG1 4Å; L438-I440 HydrophobicContact CG-CD1 4.38Å; L438-I440 HydrophobicContact CG-CG1 3.9Å
439	E	95	Very high	93.5	Very high	81 Å²	81	42.6 Å²	42.6	38%	0.379	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	128.2	173.1	-175.2	-176.5	176.4	0	0	110.3	D409 F410 I411 R476	D409-E439 PolarHBondContact O-N 3.47Å; D409-E439 VanDerWaalsContact O-N 3.15Å; F410-E439 WeakPolarHBondContact CA-O 3.26Å; F410-E439 HydrophobicContact CD2-CB 3.81Å; F410-E439 HydrophobicContact CD2-CG 3.69Å; F410-E439 HydrophobicContact CE2-CB 4.41Å; F410-E439 HydrophobicContact CE2-CG 3.79Å; I411-E439 PolarHBondContact N-O 3.04Å; E439-R476 VanDerWaalsContact OE1-CD 3.3Å; E439-R476 WeakPolarHBondContact OE1-CD 3.37Å; E439-R476 IonicContact OE1-CZ 3.93Å; E439-R476 IonicContact OE1-NE 3.63Å; E439-R476 IonicContact OE1-NH1 2.73Å; E439-R476 PolarHBondContact OE1-NH1 2.87Å
440	I	96.5	Very high	93.3	Very high	5 Å²	5	43.6 Å²	43.6	3%	0.026	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	129.6	-177.9	-54.3	172.3	0	0	0	109.9	I411 L413 I429 W433 L438 Y451 Y453 T454	I411-I440 WeakPolarHBondContact O-CA 3.19Å; L413-I440 HydrophobicContact CD1-CG2 4.24Å; L413-I440 HydrophobicContact CG-CG2 4.41Å; I429-I440 HydrophobicContact CG2-CD1 3.52Å; I429-I440 HydrophobicContact CG2-CG1 4.5Å; W433-I440 HydrophobicContact CB-CD1 4.22Å; W433-I440 HydrophobicContact CG-CD1 4.41Å; L438-I440 HydrophobicContact CD2-CD1 4.03Å; L438-I440 HydrophobicContact CD2-CG1 4Å; L438-I440 HydrophobicContact CG-CD1 4.38Å; L438-I440 HydrophobicContact CG-CG1 3.9Å; I440-Y451 HydrophobicContact CD1-CD2 3.51Å; I440-Y451 HydrophobicContact CD1-CE2 3.43Å; I440-Y451 VanDerWaalsContact CD1-CE2 3.43Å; I440-Y451 HydrophobicContact CD1-CG 4.38Å; I440-Y451 HydrophobicContact CG2-CE2 4.25Å; I440-Y453 WeakPolarHBondContact O-CA 3.33Å; I440-T454 PolarHBondContact O-N 3.42Å; I440-T454 PolarHBondContact O-OG1 3.03Å; I440-T454 VanDerWaalsContact O-OG1 3.07Å
441	G	95.9	Very high	93.2	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	144	175.8	0	0	0	0	0	111.7	I411 L412 L413 T454	I411-G441 PolarHBondContact O-N 3.37Å; L412-G441 CarbonylContact C-O 3.6Å; L412-G441 WeakPolarHBondContact CA-O 3.38Å; L413-G441 PolarHBondContact N-O 2.79Å; G441-T454 CarbonylContact C-O 3.58Å; G441-T454 WeakPolarHBondContact CA-O 3.44Å
442	M	95.4	Very high	93.2	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	135.6	175.1	-169.5	174	-173	0	0	111.5	L413 A416 V447 L449 Y453 T454 N455 F456 T697	L413-M442 HydrophobicContact CB-CG 4.39Å; L413-M442 CarbonylContact O-C 3.51Å; L413-M442 WeakPolarHBondContact O-CA 3.39Å; A416-M442 WeakPolarHBondContact O-CE 3.39Å; M442-V447 HydrophobicContact CE-CG2 3.5Å; M442-V447 VanDerWaalsContact CE-CG2 3.5Å; M442-V447 HydrophobicContact SD-CG2 4.11Å; M442-L449 HydrophobicContact SD-CD1 4.16Å; M442-Y453 HydrophobicContact CB-CD2 3.51Å; M442-Y453 HydrophobicContact CB-CE2 3.67Å; M442-Y453 HydrophobicContact CB-CG 4.48Å; M442-Y453 HydrophobicContact CG-CD2 4.45Å; M442-Y453 HydrophobicContact CG-CE2 4.2Å; M442-Y453 HydrophobicContact SD-CD2 4.18Å; M442-Y453 HydrophobicContact SD-CE2 3.54Å; M442-Y453 VanDerWaalsContact SD-CE2 3.54Å; M442-T454 PolarHBondContact N-O 3.16Å; M442-N455 PolarHBondContact O-OD1 3.1Å; M442-F456 PolarHBondContact O-N 2.95Å; M442-T697 HydrophobicContact CE-CG2 3.39Å
443	I	94.7	Very high	93.2	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	112.3	167.8	-63.1	169.1	0	0	0	107.2	L412 L413 V414 G415 F456 G457 I462 L463 M466 I695	L412-I443 HydrophobicContact CD1-CD1 4.02Å; L412-I443 HydrophobicContact CD1-CG1 4.1Å; L412-I443 HydrophobicContact CD2-CD1 4.11Å; L412-I443 HydrophobicContact CG-CD1 4.46Å; L413-I443 PolarHBondContact O-N 2.88Å; V414-I443 HydrophobicContact CG1-CB 4.48Å; V414-I443 HydrophobicContact CG2-CD1 4.5Å; G415-I443 PolarHBondContact N-O 3.45Å; I443-F456 HydrophobicContact CG1-CB 4.22Å; I443-F456 HydrophobicContact CG1-CD2 4.36Å; I443-G457 CarbonylContact C-O 3.57Å; I443-G457 WeakPolarHBondContact CA-O 3.39Å; I443-I462 HydrophobicContact CD1-CG2 3.74Å; I443-I462 HydrophobicContact CG1-CG2 4.2Å; I443-I462 HydrophobicContact CG2-CD1 4.43Å; I443-L463 HydrophobicContact CD1-CD2 3.89Å; I443-M466 HydrophobicContact CD1-SD 3.66Å; I443-I695 HydrophobicContact CG2-CD1 3.88Å
444	G	92.3	Very high	93.2	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.247	C	C	.	.	S	Bend	trans	149.8	-179.2	-176.5	0	0	0	0	0	112.1	G457 I695	G444-G457 PolarHBondContact N-O 3.27Å; G444-I695 WeakPolarHBondContact CA-O 3.37Å
445	T	91	Very high	93.2	Very high	25 Å²	25	48 Å²	48	15%	0.153	25%	0.247	C	C	.	.	S	Bend	trans	-60.4	133.6	172.8	45	0	0	0	0	110.7	V447 D458 I695 T697	T445-V447 PolarHBondContact O-N 3.17Å; T445-D458 HydrophobicContact CG2-CB 4.5Å; T445-I695 PolarHBondContact N-O 3.36Å; T445-I695 VanDerWaalsContact N-O 3.1Å; T445-T697 PolarHBondContact O-OG1 3.49Å; T445-T697 PolarHBondContact OG1-N 3.46Å; T445-T697 PolarHBondContact OG1-OG1 3.2Å
446	P	91.4	Very high	93.3	Very high	76 Å²	76	43.9 Å²	43.9	49%	0.494	23%	0.231	S	C	.	.			trans	-62.3	131.6	-179.6	23.9	-31.5	0	0	0	110.9
447	V	92.4	Very high	93.4	Very high	14 Å²	14	40.9 Å²	40.9	9%	0.085	22%	0.224	C	C	.	.			trans	-134.2	159.2	177.3	-66.8	0	0	0	0	110.6	N417 M442 T445 L449 Y453 T697	N417-V447 HydrophobicContact CB-CG2 4.34Å; M442-V447 HydrophobicContact CE-CG2 3.5Å; M442-V447 VanDerWaalsContact CE-CG2 3.5Å; M442-V447 HydrophobicContact SD-CG2 4.11Å; T445-V447 PolarHBondContact O-N 3.17Å; V447-L449 HydrophobicContact CG2-CD2 3.82Å; V447-L449 HydrophobicContact CG2-CG 4.12Å; V447-L449 PolarHBondContact O-N 2.51Å; V447-Y453 PolarHBondContact N-OH 2.95Å; V447-Y453 VanDerWaalsContact O-CE1 3.31Å; V447-Y453 WeakPolarHBondContact O-CE1 3.46Å; V447-Y453 PolarHBondContact O-OH 3.06Å; V447-T697 WeakPolarHBondContact CG1-OG1 3.12Å
448	D	92.2	Very high	93.7	Very high	100 Å²	100	34.3 Å²	34.3	54%	0.535	19%	0.189	S	C	.	.			trans	-80.9	108.2	174.6	176.8	17.5	0	0	0	110.6	R419 T450	R419-D448 WeakPolarHBondContact CD-O 3.31Å; R419-D448 IonicContact CZ-OD2 3.12Å; R419-D448 PolarHBondContact NH1-O 3Å; R419-D448 IonicContact NH1-OD1 3.07Å; R419-D448 IonicContact NH1-OD2 3.98Å; R419-D448 PolarHBondContact NH1-OD2 3.18Å; D448-T450 WeakPolarHBondContact OD1-CA 3.43Å; D448-T450 PolarHBondContact OD1-N 3.19Å
449	L	93.1	Very high	93.6	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	20%	0.2	C	C	.	.			trans	-95.5	0.9	177.1	-62.9	-179.9	0	0	0	113.4	L413 N417 P418 R419 N426 M442 V447 Y451 Y453	L413-L449 HydrophobicContact CD1-CD1 3.57Å; N417-L449 WeakPolarHBondContact OD1-CD2 3.45Å; P418-L449 HydrophobicContact CG-CD2 4.15Å; R419-L449 HydrophobicContact CB-CD2 4.31Å; N426-L449 PolarHBondContact ND2-O 3.28Å; M442-L449 HydrophobicContact SD-CD1 4.16Å; V447-L449 HydrophobicContact CG2-CD2 3.82Å; V447-L449 HydrophobicContact CG2-CG 4.12Å; V447-L449 PolarHBondContact O-N 2.51Å; L449-Y451 VanDerWaalsContact C-N 3.26Å; L449-Y451 HydrophobicContact CB-CD2 4.25Å; L449-Y451 HydrophobicContact CB-CE1 4.12Å; L449-Y451 HydrophobicContact CB-CE2 3.74Å; L449-Y451 HydrophobicContact CD1-CE2 3.92Å; L449-Y451 HydrophobicContact CG-CE2 4.49Å; L449-Y451 VanDerWaalsContact O-CD1 3.23Å; L449-Y451 WeakPolarHBondContact O-CD1 3.04Å; L449-Y451 WeakPolarHBondContact O-CE1 3.33Å; L449-Y451 PolarHBondContact O-N 3.11Å; L449-Y453 HydrophobicContact CB-CD1 4.38Å; L449-Y453 HydrophobicContact CB-CE1 4.34Å; L449-Y453 HydrophobicContact CD1-CD1 3.87Å; L449-Y453 HydrophobicContact CD1-CE1 3.98Å; L449-Y453 HydrophobicContact CD1-CG 4.36Å; L449-Y453 HydrophobicContact CG-CD1 4.31Å; L449-Y453 HydrophobicContact CG-CE1 4.06Å
450	T	93	Very high	93.3	Very high	20 Å²	20	31.9 Å²	31.9	12%	0.123	18%	0.182	C	C	.	.	S	Bend	trans	76.4	-15.9	-172.2	78.3	0	0	0	0	116.4	R430 D448	R430-T450 PolarHBondContact NH1-O 3.24Å; R430-T450 PolarHBondContact NH1-OG1 3.49Å; D448-T450 WeakPolarHBondContact OD1-CA 3.43Å; D448-T450 PolarHBondContact OD1-N 3.19Å
451	Y	94	Very high	93	Very high	8 Å²	8	36.2 Å²	36.2	3%	0.031	20%	0.202	C	C	.	.	S	Bend	trans	-126.1	163	178.9	46.7	-100.5	0	0	0	110.9	N426 I429 R430 I440 L449	N426-Y451 WeakPolarHBondContact OD1-CE1 3.39Å; N426-Y451 PolarHBondContact OD1-OH 2.98Å; I429-Y451 HydrophobicContact CB-CE1 4.35Å; I429-Y451 HydrophobicContact CG2-CE1 4.01Å; I429-Y451 HydrophobicContact CG2-CE2 4.04Å; I429-Y451 WeakPolarHBondContact CG2-OH 3.47Å; R430-Y451 HydrophobicContact CB-CD1 3.7Å; R430-Y451 HydrophobicContact CB-CE1 4.05Å; R430-Y451 HydrophobicContact CG-CD1 4.02Å; I440-Y451 HydrophobicContact CD1-CD2 3.51Å; I440-Y451 HydrophobicContact CD1-CE2 3.43Å; I440-Y451 VanDerWaalsContact CD1-CE2 3.43Å; I440-Y451 HydrophobicContact CD1-CG 4.38Å; I440-Y451 HydrophobicContact CG2-CE2 4.25Å; L449-Y451 VanDerWaalsContact C-N 3.26Å; L449-Y451 HydrophobicContact CB-CD2 4.25Å; L449-Y451 HydrophobicContact CB-CE1 4.12Å; L449-Y451 HydrophobicContact CB-CE2 3.74Å; L449-Y451 HydrophobicContact CD1-CE2 3.92Å; L449-Y451 HydrophobicContact CG-CE2 4.49Å; L449-Y451 VanDerWaalsContact O-CD1 3.23Å; L449-Y451 WeakPolarHBondContact O-CD1 3.04Å; L449-Y451 WeakPolarHBondContact O-CE1 3.33Å; L449-Y451 PolarHBondContact O-N 3.11Å
452	D	94.1	Very high	92.8	Very high	123 Å²	123	36.7 Å²	36.7	66%	0.658	20%	0.204	S	C	*	.			trans	-73.7	139	-179.6	-63.4	-31.8	0	0	0	111.3	W433	W433-D452 HydrophobicContact CZ2-CB 3.97Å
453	Y	95.2	Very high	92.6	Very high	56 Å²	56	36.8 Å²	36.8	22%	0.22	21%	0.205	C	C	.	.			trans	-147	160.5	175.8	65.1	-89.7	0	0	0	110.9	I440 M442 V447 L449 N455	I440-Y453 WeakPolarHBondContact O-CA 3.33Å; M442-Y453 HydrophobicContact CB-CD2 3.51Å; M442-Y453 HydrophobicContact CB-CE2 3.67Å; M442-Y453 HydrophobicContact CB-CG 4.48Å; M442-Y453 HydrophobicContact CG-CD2 4.45Å; M442-Y453 HydrophobicContact CG-CE2 4.2Å; M442-Y453 HydrophobicContact SD-CD2 4.18Å; M442-Y453 HydrophobicContact SD-CE2 3.54Å; M442-Y453 VanDerWaalsContact SD-CE2 3.54Å; V447-Y453 PolarHBondContact N-OH 2.95Å; V447-Y453 VanDerWaalsContact O-CE1 3.31Å; V447-Y453 WeakPolarHBondContact O-CE1 3.46Å; V447-Y453 PolarHBondContact O-OH 3.06Å; L449-Y453 HydrophobicContact CB-CD1 4.38Å; L449-Y453 HydrophobicContact CB-CE1 4.34Å; L449-Y453 HydrophobicContact CD1-CD1 3.87Å; L449-Y453 HydrophobicContact CD1-CE1 3.98Å; L449-Y453 HydrophobicContact CD1-CG 4.36Å; L449-Y453 HydrophobicContact CG-CD1 4.31Å; L449-Y453 HydrophobicContact CG-CE1 4.06Å; Y453-N455 HydrophobicContact CD2-CB 4.43Å; Y453-N455 HydrophobicContact CE2-CB 3.97Å
454	T	95.5	Very high	92.4	Very high	50 Å²	50	43.5 Å²	43.5	31%	0.307	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	113	174.8	53.2	0	0	0	0	110.2	I440 G441 M442 F456 R476	I440-T454 PolarHBondContact O-N 3.42Å; I440-T454 PolarHBondContact O-OG1 3.03Å; I440-T454 VanDerWaalsContact O-OG1 3.07Å; G441-T454 CarbonylContact C-O 3.58Å; G441-T454 WeakPolarHBondContact CA-O 3.44Å; M442-T454 PolarHBondContact N-O 3.16Å; T454-F456 WeakPolarHBondContact OG1-CZ 3.21Å; T454-R476 PolarHBondContact OG1-NH1 3.19Å
455	N	94	Very high	92.3	Very high	64 Å²	64	47.7 Å²	47.7	34%	0.342	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	120.7	174.5	-169.6	-2.8	0	0	0	110.2	M442 Y453 G457	M442-N455 PolarHBondContact O-OD1 3.1Å; Y453-N455 HydrophobicContact CD2-CB 4.43Å; Y453-N455 HydrophobicContact CE2-CB 3.97Å; N455-G457 PolarHBondContact OD1-N 2.87Å
456	F	93.2	Very high	92.3	Very high	29 Å²	29	46.5 Å²	46.5	13%	0.127	24%	0.241	C	C	.	.			trans	-90.9	-6.3	178.2	-60.7	-68.1	0	0	0	113.7	F410 L412 M442 I443 T454 I462 E472 V473	F410-F456 HydrophobicContact CZ-CE2 4.45Å; L412-F456 HydrophobicContact CD1-CD2 4.21Å; L412-F456 HydrophobicContact CD1-CE2 4.17Å; M442-F456 PolarHBondContact O-N 2.95Å; I443-F456 HydrophobicContact CG1-CB 4.22Å; I443-F456 HydrophobicContact CG1-CD2 4.36Å; T454-F456 WeakPolarHBondContact OG1-CZ 3.21Å; F456-I462 VanDerWaalsContact O-CD1 3.27Å; F456-I462 WeakPolarHBondContact O-CD1 3.19Å; F456-E472 HydrophobicContact CD1-CG 4.11Å; F456-E472 HydrophobicContact CE1-CG 3.99Å; F456-E472 VanDerWaalsContact CE1-OE1 3.24Å; F456-E472 WeakPolarHBondContact CE1-OE1 3.24Å; F456-V473 HydrophobicContact CB-CG2 3.94Å; F456-V473 HydrophobicContact CD1-CG2 3.45Å; F456-V473 VanDerWaalsContact CD1-CG2 3.45Å; F456-V473 HydrophobicContact CD2-CG2 3.34Å; F456-V473 HydrophobicContact CE1-CG2 3.7Å; F456-V473 HydrophobicContact CE2-CG1 4.44Å; F456-V473 HydrophobicContact CE2-CG2 3.56Å; F456-V473 HydrophobicContact CG-CG2 3.27Å; F456-V473 HydrophobicContact CZ-CG2 3.75Å
457	G	92.2	Very high	92.2	Very high	24 Å²	24	43.1 Å²	43.1	25%	0.247	22%	0.219	C	C	.	.			trans	113.7	175.1	-179.5	0	0	0	0	0	113.3	I443 G444 N455	I443-G457 CarbonylContact C-O 3.57Å; I443-G457 WeakPolarHBondContact CA-O 3.39Å; G444-G457 PolarHBondContact N-O 3.27Å; N455-G457 PolarHBondContact OD1-N 2.87Å
458	D	91.9	Very high	92	Very high	37 Å²	37	46.2 Å²	46.2	20%	0.198	23%	0.233	C	C	.	.	S	Bend	trans	-106.6	1.4	-173.7	59.6	2.7	0	0	0	113.4	T445 K694 I695	T445-D458 HydrophobicContact CG2-CB 4.5Å; D458-K694 HydrophobicContact CB-CB 4.22Å; D458-K694 HydrophobicContact CB-CG 4.45Å; D458-K694 CarbonylContact O-C 3.53Å; D458-K694 WeakPolarHBondContact O-CA 3.29Å; D458-K694 IonicContact OD1-NZ 3.67Å; D458-K694 WeakPolarHBondContact OD2-CD 3.42Å; D458-K694 VanDerWaalsContact OD2-CE 3.27Å; D458-K694 WeakPolarHBondContact OD2-CE 3.2Å; D458-K694 WeakPolarHBondContact OD2-CG 3.16Å; D458-K694 IonicContact OD2-NZ 3.75Å; D458-K694 PolarHBondContact OD2-NZ 3.39Å; D458-I695 PolarHBondContact O-N 3.04Å
459	S	92.1	Very high	91.9	Very high	39 Å²	39	46.7 Å²	46.7	27%	0.273	23%	0.23	S	C	.	.			trans	-78.5	128.3	-176.6	-178.8	0	0	0	0	112.3	E461 I462	S459-E461 PolarHBondContact O-N 3.18Å; S459-E461 VanDerWaalsContact O-N 3.13Å; S459-E461 PolarHBondContact OG-N 3.34Å; S459-I462 WeakPolarHBondContact O-CB 3.29Å; S459-I462 WeakPolarHBondContact O-CD1 3.4Å; S459-I462 VanDerWaalsContact O-CG1 3.3Å; S459-I462 WeakPolarHBondContact O-CG1 3.47Å; S459-I462 PolarHBondContact O-N 2.99Å; S459-I462 VanDerWaalsContact O-N 3.11Å
460	P	89.9	Confident	91.7	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-23.1	171.7	-24.2	33.1	0	0	0	114.5	I462 L463 L500 I690 L691 D693 I695	P460-I462 PolarHBondContact O-N 3.45Å; P460-I462 VanDerWaalsContact O-N 3.16Å; P460-L463 PolarHBondContact O-N 2.92Å; P460-L463 VanDerWaalsContact O-N 3.14Å; P460-L500 HydrophobicContact CB-CD2 4.04Å; P460-I690 HydrophobicContact CB-CG2 3.43Å; P460-I690 VanDerWaalsContact CB-CG2 3.43Å; P460-I690 HydrophobicContact CG-CG2 4.48Å; P460-L691 WeakPolarHBondContact CG-O 3.37Å; P460-D693 WeakPolarHBondContact CD-O 3.38Å; P460-D693 WeakPolarHBondContact CG-O 3.33Å; P460-I695 HydrophobicContact CB-CD1 4.44Å; P460-I695 HydrophobicContact CB-CG1 4.46Å; P460-I695 HydrophobicContact CG-CD1 4.4Å; P460-I695 HydrophobicContact CG-CG1 3.92Å
461	E	89.9	Confident	91.6	Very high	95 Å²	95	55.2 Å²	55.2	44%	0.444	27%	0.266	S	S	.	.	H	α-helix	trans	-60.3	-25.2	176.6	-65.9	-171.8	177.9	0	0	112.9	S459 L463 R464 K465	S459-E461 PolarHBondContact O-N 3.18Å; S459-E461 VanDerWaalsContact O-N 3.13Å; S459-E461 PolarHBondContact OG-N 3.34Å; E461-L463 VanDerWaalsContact C-N 3.27Å; E461-L463 PolarHBondContact O-N 3.05Å; E461-R464 WeakPolarHBondContact O-CB 3.47Å; E461-R464 PolarHBondContact O-N 3.29Å; E461-K465 WeakPolarHBondContact O-CG 3.44Å; E461-K465 PolarHBondContact O-N 3.23Å; E461-K465 IonicContact OE2-NZ 3.57Å; E461-K465 PolarHBondContact OE2-NZ 3.39Å; E461-K465 VanDerWaalsContact OE2-NZ 3.13Å
462	I	92	Very high	91.6	Very high	10 Å²	10	60 Å²	60	5%	0.051	29%	0.288	C	S	.	.	H	α-helix	trans	-57.7	-44.6	177.2	-64.1	167.4	0	0	0	109.5	I443 F456 S459 P460 R464 K465 M466	I443-I462 HydrophobicContact CD1-CG2 3.74Å; I443-I462 HydrophobicContact CG1-CG2 4.2Å; I443-I462 HydrophobicContact CG2-CD1 4.43Å; F456-I462 VanDerWaalsContact O-CD1 3.27Å; F456-I462 WeakPolarHBondContact O-CD1 3.19Å; S459-I462 WeakPolarHBondContact O-CB 3.29Å; S459-I462 WeakPolarHBondContact O-CD1 3.4Å; S459-I462 VanDerWaalsContact O-CG1 3.3Å; S459-I462 WeakPolarHBondContact O-CG1 3.47Å; S459-I462 PolarHBondContact O-N 2.99Å; S459-I462 VanDerWaalsContact O-N 3.11Å; P460-I462 PolarHBondContact O-N 3.45Å; P460-I462 VanDerWaalsContact O-N 3.16Å; I462-R464 VanDerWaalsContact C-N 3.32Å; I462-R464 PolarHBondContact O-N 2.76Å; I462-K465 PolarHBondContact O-N 3.18Å; I462-M466 HydrophobicContact CG2-CG 4.43Å; I462-M466 HydrophobicContact CG2-SD 4.11Å; I462-M466 WeakPolarHBondContact O-CB 3.38Å; I462-M466 VanDerWaalsContact O-CG 3.25Å; I462-M466 WeakPolarHBondContact O-CG 3.43Å; I462-M466 PolarHBondContact O-N 2.68Å
463	L	91.1	Very high	91.5	Very high	2 Å²	2	54.1 Å²	54.1	1%	0.01	26%	0.257	C	S	.	.	H	α-helix	trans	-64.9	-36.9	179.1	-63.5	179.9	0	0	0	111.9	V414 I443 P460 E461 M466 S467 L500 C503 L504 I695	V414-L463 HydrophobicContact CG1-CD1 4.03Å; V414-L463 HydrophobicContact CG1-CD2 4.09Å; I443-L463 HydrophobicContact CD1-CD2 3.89Å; P460-L463 PolarHBondContact O-N 2.92Å; P460-L463 VanDerWaalsContact O-N 3.14Å; E461-L463 VanDerWaalsContact C-N 3.27Å; E461-L463 PolarHBondContact O-N 3.05Å; L463-M466 HydrophobicContact CD2-SD 4.11Å; L463-M466 PolarHBondContact O-N 2.83Å; L463-S467 PolarHBondContact O-N 3.22Å; L463-L500 HydrophobicContact CD1-CB 4.45Å; L463-L500 HydrophobicContact CD1-CD2 4.15Å; L463-C503 HydrophobicContact CB-CB 4.37Å; L463-L504 HydrophobicContact CD1-CD1 4.47Å; L463-L504 HydrophobicContact CD1-CG 4.45Å; L463-L504 HydrophobicContact CD2-CD2 3.79Å; L463-L504 HydrophobicContact CD2-CG 4.4Å; L463-I695 HydrophobicContact CD1-CD1 4.15Å
464	R	89.2	Confident	91.4	Very high	141 Å²	141	51.7 Å²	51.7	53%	0.532	25%	0.247	S	C	.	.	H	α-helix	trans	-65.8	-47.8	173.6	-172.1	179.2	176	165.6	5.5	111.4	E461 I462 M466 S467 E468 I690	E461-R464 WeakPolarHBondContact O-CB 3.47Å; E461-R464 PolarHBondContact O-N 3.29Å; I462-R464 VanDerWaalsContact C-N 3.32Å; I462-R464 PolarHBondContact O-N 2.76Å; R464-M466 VanDerWaalsContact C-N 3.26Å; R464-M466 PolarHBondContact O-N 2.74Å; R464-S467 WeakPolarHBondContact O-CB 3.48Å; R464-S467 PolarHBondContact O-N 3.46Å; R464-S467 PolarHBondContact O-OG 3.03Å; R464-E468 IonicContact NE-OE1 3.64Å; R464-E468 PolarHBondContact O-N 3.31Å; R464-E468 VanDerWaalsContact O-N 3.13Å; R464-I690 HydrophobicContact CB-CD1 3.91Å; R464-I690 HydrophobicContact CG-CD1 4.39Å
465	K	91.1	Very high	91.2	Very high	89 Å²	89	50.5 Å²	50.5	39%	0.387	25%	0.246	S	C	.	.	H	α-helix	trans	-61.8	-34.1	177.3	-70.8	170.7	-173.7	160.7	0	111.7	E461 I462 E468 K469 K470 H471	E461-K465 WeakPolarHBondContact O-CG 3.44Å; E461-K465 PolarHBondContact O-N 3.23Å; E461-K465 IonicContact OE2-NZ 3.57Å; E461-K465 PolarHBondContact OE2-NZ 3.39Å; E461-K465 VanDerWaalsContact OE2-NZ 3.13Å; I462-K465 PolarHBondContact O-N 3.18Å; K465-E468 CarbonylContact O-C 3.56Å; K465-E468 PolarHBondContact O-N 3.03Å; K465-K469 PolarHBondContact O-N 3.05Å; K465-K470 PolarHBondContact O-N 3.09Å; K465-H471 HydrophobicContact CB-CB 3.99Å
466	M	91.5	Very high	91.1	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-64.9	-43.2	170.7	-72.2	173.6	59.2	0	0	112	L412 I443 I462 L463 R464 E468 K469 H471 V473 L477 V507	L412-M466 HydrophobicContact CD2-CE 3.66Å; L412-M466 HydrophobicContact CD2-SD 4.4Å; I443-M466 HydrophobicContact CD1-SD 3.66Å; I462-M466 HydrophobicContact CG2-CG 4.43Å; I462-M466 HydrophobicContact CG2-SD 4.11Å; I462-M466 WeakPolarHBondContact O-CB 3.38Å; I462-M466 VanDerWaalsContact O-CG 3.25Å; I462-M466 WeakPolarHBondContact O-CG 3.43Å; I462-M466 PolarHBondContact O-N 2.68Å; L463-M466 HydrophobicContact CD2-SD 4.11Å; L463-M466 PolarHBondContact O-N 2.83Å; R464-M466 VanDerWaalsContact C-N 3.26Å; R464-M466 PolarHBondContact O-N 2.74Å; M466-E468 PolarHBondContact O-N 3.03Å; M466-K469 PolarHBondContact O-N 3.2Å; M466-H471 HydrophobicContact CG-CB 3.78Å; M466-V473 HydrophobicContact CE-CB 4.29Å; M466-V473 HydrophobicContact CE-CG1 3.6Å; M466-V473 HydrophobicContact CG-CB 4.18Å; M466-V473 HydrophobicContact CG-CG1 4.49Å; M466-V473 HydrophobicContact SD-CB 3.9Å; M466-V473 HydrophobicContact SD-CG1 3.68Å; M466-L477 HydrophobicContact CE-CD1 3.7Å; M466-V507 HydrophobicContact CB-CG2 3.8Å; M466-V507 HydrophobicContact CE-CG1 4.04Å; M466-V507 HydrophobicContact CE-CG2 4.41Å
467	S	87.7	Confident	91.1	Very high	5 Å²	5	49.6 Å²	49.6	4%	0.035	24%	0.236	C	C	.	.	H	α-helix	trans	-64.4	-20.2	177.2	84.3	0	0	0	0	113.7	L463 R464 R506	L463-S467 PolarHBondContact O-N 3.22Å; R464-S467 WeakPolarHBondContact O-CB 3.48Å; R464-S467 PolarHBondContact O-N 3.46Å; R464-S467 PolarHBondContact O-OG 3.03Å; S467-R506 PolarHBondContact O-NE 3.24Å
468	E	88.3	Confident	91.1	Very high	78 Å²	78	54.4 Å²	54.4	36%	0.364	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.6	2.5	174.2	-65	179.8	-163.3	0	0	113.9	R464 K465 M466 K470	R464-E468 IonicContact NE-OE1 3.64Å; R464-E468 PolarHBondContact O-N 3.31Å; R464-E468 VanDerWaalsContact O-N 3.13Å; K465-E468 CarbonylContact O-C 3.56Å; K465-E468 PolarHBondContact O-N 3.03Å; M466-E468 PolarHBondContact O-N 3.03Å; E468-K470 VanDerWaalsContact C-N 3.27Å; E468-K470 HydrophobicContact CB-CD 4.2Å; E468-K470 HydrophobicContact CB-CG 4.25Å; E468-K470 PolarHBondContact O-N 3.45Å; E468-K470 WeakPolarHBondContact OE2-CE 3.48Å; E468-K470 IonicContact OE2-NZ 2.75Å; E468-K470 PolarHBondContact OE2-NZ 2.75Å
469	K	89.9	Confident	91.1	Very high	111 Å²	111	61.4 Å²	61.4	48%	0.483	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.2	21.2	-176.3	-47.2	-169.8	176.3	-154.5	0	115.8	K465 M466 Y474 M510	K465-K469 PolarHBondContact O-N 3.05Å; M466-K469 PolarHBondContact O-N 3.2Å; K469-Y474 HydrophobicContact CB-CD1 3.82Å; K469-Y474 HydrophobicContact CB-CE1 3.81Å; K469-Y474 HydrophobicContact CB-CG 4.4Å; K469-Y474 HydrophobicContact CD-CD1 4.5Å; K469-Y474 HydrophobicContact CD-CE1 3.65Å; K469-Y474 WeakPolarHBondContact CE-OH 3.35Å; K469-Y474 HydrophobicContact CG-CD1 4.03Å; K469-Y474 HydrophobicContact CG-CE1 3.58Å; K469-Y474 HydrophobicContact CG-CE2 4.22Å; K469-Y474 PolarHBondContact NZ-OH 3.11Å; K469-Y474 VanDerWaalsContact NZ-OH 3.15Å; K469-M510 HydrophobicContact CG-SD 4.33Å
470	K	90.7	Very high	91.1	Very high	158 Å²	158	60.4 Å²	60.4	69%	0.687	28%	0.276	S	S	*	.			trans	-98.2	-11.5	-175.3	-67.7	176.3	-174.6	161.2	0	114.5	K465 E468	K465-K470 PolarHBondContact O-N 3.09Å; E468-K470 VanDerWaalsContact C-N 3.27Å; E468-K470 HydrophobicContact CB-CD 4.2Å; E468-K470 HydrophobicContact CB-CG 4.25Å; E468-K470 PolarHBondContact O-N 3.45Å; E468-K470 WeakPolarHBondContact OE2-CE 3.48Å; E468-K470 IonicContact OE2-NZ 2.75Å; E468-K470 PolarHBondContact OE2-NZ 2.75Å
471	H	91.1	Very high	91.1	Very high	40 Å²	40	66.8 Å²	66.8	19%	0.185	30%	0.303	C	S	.	.	S	Bend	trans	-96.7	147.2	-176.4	-157.7	-93.1	0	0	0	111.9	K465 M466 V473 Y474	K465-H471 HydrophobicContact CB-CB 3.99Å; M466-H471 HydrophobicContact CG-CB 3.78Å; H471-V473 WeakPolarHBondContact ND1-CG2 3.36Å; H471-V473 PolarHBondContact ND1-N 3.13Å; H471-V473 PolarHBondContact O-N 3.42Å; H471-Y474 WeakPolarHBondContact O-CB 3.37Å; H471-Y474 PolarHBondContact O-N 2.77Å; H471-Y474 VanDerWaalsContact O-N 3.09Å
472	E	92.7	Very high	91.3	Very high	108 Å²	108	64.2 Å²	64.2	51%	0.505	29%	0.291	S	S	.	.	H	α-helix	trans	-60	-32.8	-178.4	75.6	171.6	-119.9	0	0	113.2	F456 Y474 G475 R476	F456-E472 HydrophobicContact CD1-CG 4.11Å; F456-E472 HydrophobicContact CE1-CG 3.99Å; F456-E472 VanDerWaalsContact CE1-OE1 3.24Å; F456-E472 WeakPolarHBondContact CE1-OE1 3.24Å; E472-Y474 PolarHBondContact O-N 2.87Å; E472-G475 CarbonylContact O-C 3.4Å; E472-G475 WeakPolarHBondContact O-CA 3.42Å; E472-G475 PolarHBondContact O-N 3.15Å; E472-R476 PolarHBondContact O-N 3.22Å; E472-R476 IonicContact OE1-CZ 2.67Å; E472-R476 IonicContact OE1-NE 3.12Å; E472-R476 PolarHBondContact OE1-NE 3.17Å; E472-R476 IonicContact OE1-NH2 3.13Å; E472-R476 PolarHBondContact OE1-NH2 2.77Å
473	V	92.3	Very high	91.4	Very high	0 Å²	0	63.8 Å²	63.8	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-57	-40	178	178.9	0	0	0	0	111.3	L412 F456 M466 H471 G475 R476 L477	L412-V473 HydrophobicContact CD1-CG1 3.81Å; L412-V473 HydrophobicContact CD2-CG1 3.71Å; L412-V473 HydrophobicContact CG-CG1 4.38Å; F456-V473 HydrophobicContact CB-CG2 3.94Å; F456-V473 HydrophobicContact CD1-CG2 3.45Å; F456-V473 VanDerWaalsContact CD1-CG2 3.45Å; F456-V473 HydrophobicContact CD2-CG2 3.34Å; F456-V473 HydrophobicContact CE1-CG2 3.7Å; F456-V473 HydrophobicContact CE2-CG1 4.44Å; F456-V473 HydrophobicContact CE2-CG2 3.56Å; F456-V473 HydrophobicContact CG-CG2 3.27Å; F456-V473 HydrophobicContact CZ-CG2 3.75Å; M466-V473 HydrophobicContact CE-CB 4.29Å; M466-V473 HydrophobicContact CE-CG1 3.6Å; M466-V473 HydrophobicContact CG-CB 4.18Å; M466-V473 HydrophobicContact CG-CG1 4.49Å; M466-V473 HydrophobicContact SD-CB 3.9Å; M466-V473 HydrophobicContact SD-CG1 3.68Å; H471-V473 WeakPolarHBondContact ND1-CG2 3.36Å; H471-V473 PolarHBondContact ND1-N 3.13Å; H471-V473 PolarHBondContact O-N 3.42Å; V473-G475 VanDerWaalsContact C-N 3.32Å; V473-G475 PolarHBondContact O-N 3.32Å; V473-R476 PolarHBondContact O-N 2.93Å; V473-L477 HydrophobicContact CG1-CD1 4.03Å; V473-L477 HydrophobicContact CG1-CG 4.46Å; V473-L477 WeakPolarHBondContact O-CB 3.39Å; V473-L477 WeakPolarHBondContact O-CG 3.19Å; V473-L477 PolarHBondContact O-N 3.47Å
474	Y	92.3	Very high	91.6	Very high	5 Å²	5	63.7 Å²	63.7	2%	0.02	29%	0.288	C	S	.	.	H	α-helix	trans	-64.3	-41	176.5	-176	-91.3	0	0	0	110.9	K469 H471 E472 R476 L477 E478 V507 M510 L511	K469-Y474 HydrophobicContact CB-CD1 3.82Å; K469-Y474 HydrophobicContact CB-CE1 3.81Å; K469-Y474 HydrophobicContact CB-CG 4.4Å; K469-Y474 HydrophobicContact CD-CD1 4.5Å; K469-Y474 HydrophobicContact CD-CE1 3.65Å; K469-Y474 WeakPolarHBondContact CE-OH 3.35Å; K469-Y474 HydrophobicContact CG-CD1 4.03Å; K469-Y474 HydrophobicContact CG-CE1 3.58Å; K469-Y474 HydrophobicContact CG-CE2 4.22Å; K469-Y474 PolarHBondContact NZ-OH 3.11Å; K469-Y474 VanDerWaalsContact NZ-OH 3.15Å; H471-Y474 WeakPolarHBondContact O-CB 3.37Å; H471-Y474 PolarHBondContact O-N 2.77Å; H471-Y474 VanDerWaalsContact O-N 3.09Å; E472-Y474 PolarHBondContact O-N 2.87Å; Y474-R476 VanDerWaalsContact C-N 3.31Å; Y474-R476 PolarHBondContact O-N 3.17Å; Y474-L477 PolarHBondContact O-N 2.91Å; Y474-E478 WeakPolarHBondContact O-CB 3.15Å; Y474-E478 PolarHBondContact O-N 3.25Å; Y474-V507 HydrophobicContact CD2-CG1 4.23Å; Y474-M510 HydrophobicContact CE2-CB 4.25Å; Y474-L511 HydrophobicContact CE2-CD2 4.09Å; Y474-L511 HydrophobicContact CE2-CG 4.45Å
475	G	91.6	Very high	91.9	Very high	26 Å²	26	57 Å²	57	27%	0.268	26%	0.263	S	S	.	.	H	α-helix	trans	-65.4	-30.2	176	0	0	0	0	0	113.8	E472 V473 K479	E472-G475 CarbonylContact O-C 3.4Å; E472-G475 WeakPolarHBondContact O-CA 3.42Å; E472-G475 PolarHBondContact O-N 3.15Å; V473-G475 VanDerWaalsContact C-N 3.32Å; V473-G475 PolarHBondContact O-N 3.32Å; G475-K479 VanDerWaalsContact O-CG 3.29Å; G475-K479 WeakPolarHBondContact O-CG 3.32Å; G475-K479 PolarHBondContact O-N 2.83Å
476	R	92.7	Very high	92.2	Very high	72 Å²	72	52.8 Å²	52.8	27%	0.272	25%	0.245	S	C	.	.	H	α-helix	trans	-73.3	-45.6	172.1	-61.3	-167.5	-168.4	-167.7	6.1	111.5	F410 E439 T454 E472 V473 Y474 E478 K479 A480	F410-R476 HydrophobicContact CD2-CB 4.44Å; F410-R476 HydrophobicContact CE2-CB 3.96Å; F410-R476 HydrophobicContact CZ-CB 4Å; E439-R476 VanDerWaalsContact OE1-CD 3.3Å; E439-R476 WeakPolarHBondContact OE1-CD 3.37Å; E439-R476 IonicContact OE1-CZ 3.93Å; E439-R476 IonicContact OE1-NE 3.63Å; E439-R476 IonicContact OE1-NH1 2.73Å; E439-R476 PolarHBondContact OE1-NH1 2.87Å; T454-R476 PolarHBondContact OG1-NH1 3.19Å; E472-R476 PolarHBondContact O-N 3.22Å; E472-R476 IonicContact OE1-CZ 2.67Å; E472-R476 IonicContact OE1-NE 3.12Å; E472-R476 PolarHBondContact OE1-NE 3.17Å; E472-R476 IonicContact OE1-NH2 3.13Å; E472-R476 PolarHBondContact OE1-NH2 2.77Å; V473-R476 PolarHBondContact O-N 2.93Å; Y474-R476 VanDerWaalsContact C-N 3.31Å; Y474-R476 PolarHBondContact O-N 3.17Å; R476-E478 VanDerWaalsContact C-N 3.29Å; R476-E478 PolarHBondContact O-N 3.03Å; R476-K479 PolarHBondContact O-N 2.9Å; R476-A480 PolarHBondContact O-N 2.83Å; R476-A480 VanDerWaalsContact O-N 3.13Å
477	L	92.7	Very high	92.4	Very high	1 Å²	1	52.8 Å²	52.8	1%	0.005	25%	0.245	C	C	.	.	H	α-helix	trans	-59.1	-36.8	175.6	-75.1	167.2	0	0	0	113.1	F410 L412 M466 V473 Y474 P483 I485 V507 L511	F410-L477 HydrophobicContact CD1-CD2 3.52Å; F410-L477 HydrophobicContact CD1-CG 4.1Å; F410-L477 HydrophobicContact CE1-CD2 3.63Å; F410-L477 HydrophobicContact CE1-CG 3.83Å; L412-L477 HydrophobicContact CD2-CD1 4.14Å; M466-L477 HydrophobicContact CE-CD1 3.7Å; V473-L477 HydrophobicContact CG1-CD1 4.03Å; V473-L477 HydrophobicContact CG1-CG 4.46Å; V473-L477 WeakPolarHBondContact O-CB 3.39Å; V473-L477 WeakPolarHBondContact O-CG 3.19Å; V473-L477 PolarHBondContact O-N 3.47Å; Y474-L477 PolarHBondContact O-N 2.91Å; L477-P483 HydrophobicContact CD2-CB 3.75Å; L477-I485 HydrophobicContact CD1-CD1 4.14Å; L477-I485 HydrophobicContact CD2-CD1 4.43Å; L477-I485 HydrophobicContact CD2-CG1 4.1Å; L477-V507 HydrophobicContact CD1-CG1 4.18Å; L477-L511 HydrophobicContact CB-CD1 3.97Å; L477-L511 HydrophobicContact CB-CD2 3.89Å; L477-L511 HydrophobicContact CD1-CD1 4.35Å; L477-L511 HydrophobicContact CD2-CD1 4.49Å
478	E	92.2	Very high	92.7	Very high	126 Å²	126	52.6 Å²	52.6	59%	0.589	24%	0.243	S	C	*	.	H	α-helix	trans	-73	-29.6	178.6	-173.5	173.6	-140.4	0	0	112.8	Y474 R476 L511	Y474-E478 WeakPolarHBondContact O-CB 3.15Å; Y474-E478 PolarHBondContact O-N 3.25Å; R476-E478 VanDerWaalsContact C-N 3.29Å; R476-E478 PolarHBondContact O-N 3.03Å; E478-L511 HydrophobicContact CB-CD2 4.21Å
479	K	92	Very high	93	Very high	183 Å²	183	48.9 Å²	48.9	80%	0.796	23%	0.226	S	C	*	.	H	α-helix	trans	-76.9	-29.3	176.1	-73.7	173.6	-176	179.5	0	112.8	G475 R476	G475-K479 VanDerWaalsContact O-CG 3.29Å; G475-K479 WeakPolarHBondContact O-CG 3.32Å; G475-K479 PolarHBondContact O-N 2.83Å; R476-K479 PolarHBondContact O-N 2.9Å
480	A	91.6	Very high	93.1	Very high	19 Å²	19	44.1 Å²	44.1	16%	0.157	21%	0.207	C	C	.	.			trans	-65.5	134.1	178.1	0	0	0	0	0	111	D409 F410 R476 P483	D409-A480 WeakPolarHBondContact OD1-CB 3.3Å; F410-A480 HydrophobicContact CB-CB 3.67Å; R476-A480 PolarHBondContact O-N 2.83Å; R476-A480 VanDerWaalsContact O-N 3.13Å; A480-P483 HydrophobicContact CB-CB 4.01Å; A480-P483 HydrophobicContact CB-CG 4.48Å
481	K	91.3	Very high	93.1	Very high	133 Å²	133	36.8 Å²	36.8	58%	0.578	18%	0.175	S	C	*	.	S	Bend	trans	-75.3	-31.4	174	-64.1	-179.8	-179	175.2	0	111.9	D409 V513	D409-K481 WeakPolarHBondContact OD2-CA 3.38Å; D409-K481 WeakPolarHBondContact OD2-CB 3.44Å; D409-K481 PolarHBondContact OD2-N 3.49Å; K481-V513 WeakPolarHBondContact O-CG1 3.47Å
482	K	92.4	Very high	93.1	Very high	41 Å²	41	34.9 Å²	34.9	18%	0.178	17%	0.167	C	C	.	.	S	Bend	trans	-135.7	60.7	-175.9	-65.4	174.8	-168.4	-124	0	111.1	K407 D409 E515 W518	K407-K482 WeakPolarHBondContact O-CD 3.38Å; D409-K482 VanDerWaalsContact OD1-CA 3.26Å; D409-K482 WeakPolarHBondContact OD1-CA 3.2Å; D409-K482 PolarHBondContact OD1-N 2.72Å; D409-K482 PolarHBondContact OD2-N 3.43Å; D409-K482 VanDerWaalsContact OD2-N 3.16Å; K482-E515 WeakPolarHBondContact CE-OE1 3.47Å; K482-E515 WeakPolarHBondContact CE-OE2 3.32Å; K482-E515 IonicContact NZ-OE1 2.78Å; K482-E515 PolarHBondContact NZ-OE1 3.34Å; K482-E515 IonicContact NZ-OE2 2.62Å; K482-E515 PolarHBondContact NZ-OE2 2.71Å; K482-W518 HydrophobicContact CB-CD2 4.19Å; K482-W518 HydrophobicContact CB-CH2 4.14Å; K482-W518 HydrophobicContact CB-CZ2 3.72Å; K482-W518 HydrophobicContact CD-CH2 4.36Å; K482-W518 HydrophobicContact CD-CZ3 4.25Å; K482-W518 HydrophobicContact CG-CD2 4.32Å; K482-W518 HydrophobicContact CG-CE3 4.38Å; K482-W518 HydrophobicContact CG-CZ2 4.49Å
483	P	94.5	Very high	93	Very high	2 Å²	2	33.1 Å²	33.1	1%	0.013	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	141.3	-178.3	28.1	-33.7	0	0	0	111.1	F410 L477 A480 V513 W518 I520	F410-P483 WeakPolarHBondContact O-CA 3.32Å; L477-P483 HydrophobicContact CD2-CB 3.75Å; A480-P483 HydrophobicContact CB-CB 4.01Å; A480-P483 HydrophobicContact CB-CG 4.48Å; P483-V513 HydrophobicContact CG-CG2 4.07Å; P483-W518 PolarHBondContact O-NE1 2.78Å; P483-I520 HydrophobicContact CG-CG1 4.47Å
484	M	95	Very high	92.9	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	129.2	175.8	-179.2	175.7	-69.4	0	0	109.7	M398 D400 I405 F410 I411 L412 I486 W518 N522	M398-M484 HydrophobicContact CE-SD 4.45Å; D400-M484 HydrophobicContact CB-CE 3.66Å; D400-M484 VanDerWaalsContact OD2-CE 3.28Å; D400-M484 WeakPolarHBondContact OD2-CE 3.29Å; I405-M484 HydrophobicContact CG1-CE 4.44Å; I405-M484 HydrophobicContact CG1-SD 3.98Å; F410-M484 PolarHBondContact O-N 3.18Å; I411-M484 CarbonylContact C-O 3.53Å; I411-M484 VanDerWaalsContact CA-O 3.31Å; I411-M484 WeakPolarHBondContact CA-O 3.43Å; I411-M484 HydrophobicContact CG1-CB 4.14Å; L412-M484 PolarHBondContact N-O 3.29Å; M484-I486 HydrophobicContact CG-CD1 4.48Å; M484-I486 HydrophobicContact CG-CG1 4.02Å; M484-I486 HydrophobicContact SD-CD1 4.05Å; M484-I486 HydrophobicContact SD-CG1 4.16Å; M484-W518 HydrophobicContact CE-CZ2 4.11Å; M484-N522 WeakPolarHBondContact CG-ND2 3.3Å
485	I	96.3	Very high	92.6	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	115.3	175.9	-56.8	174.9	0	0	0	107.7	L412 V414 L477 V487 L504 V507 I520 L521 N522	L412-I485 HydrophobicContact CB-CG1 4.29Å; L412-I485 HydrophobicContact CD2-CG1 4.39Å; L412-I485 HydrophobicContact CD2-CG2 4.33Å; L412-I485 CarbonylContact O-C 3.52Å; L412-I485 WeakPolarHBondContact O-CA 3.42Å; V414-I485 HydrophobicContact CG2-CG2 4.06Å; L477-I485 HydrophobicContact CD1-CD1 4.14Å; L477-I485 HydrophobicContact CD2-CD1 4.43Å; L477-I485 HydrophobicContact CD2-CG1 4.1Å; I485-V487 HydrophobicContact CG2-CG2 3.92Å; I485-L504 HydrophobicContact CG2-CD2 4.17Å; I485-V507 HydrophobicContact CD1-CG1 4.12Å; I485-I520 HydrophobicContact CD1-CG2 3.82Å; I485-I520 HydrophobicContact CG1-CG2 3.86Å; I485-I520 PolarHBondContact N-O 3.47Å; I485-L521 HydrophobicContact CB-CD1 4.49Å; I485-L521 HydrophobicContact CG2-CD1 4.27Å; I485-N522 WeakPolarHBondContact O-CA 2.94Å; I485-N522 WeakPolarHBondContact O-CB 3.23Å; I485-N522 PolarHBondContact O-N 2.97Å
486	I	96.5	Very high	92.5	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.005	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	120.7	177.9	-55.3	177.7	0	0	0	108.7	I411 L412 L413 V414 I429 M484 N522 L524	I411-I486 HydrophobicContact CG2-CD1 4Å; I411-I486 HydrophobicContact CG2-CG1 4.32Å; L412-I486 PolarHBondContact O-N 2.97Å; L413-I486 WeakPolarHBondContact CA-O 3.16Å; L413-I486 HydrophobicContact CD2-CB 3.88Å; L413-I486 HydrophobicContact CD2-CD1 4.08Å; L413-I486 HydrophobicContact CD2-CG1 4.39Å; L413-I486 HydrophobicContact CD2-CG2 4.4Å; V414-I486 PolarHBondContact N-O 3.01Å; I429-I486 HydrophobicContact CD1-CD1 4.22Å; M484-I486 HydrophobicContact CG-CD1 4.48Å; M484-I486 HydrophobicContact CG-CG1 4.02Å; M484-I486 HydrophobicContact SD-CD1 4.05Å; M484-I486 HydrophobicContact SD-CG1 4.16Å; I486-N522 WeakPolarHBondContact CA-O 3.49Å; I486-N522 HydrophobicContact CG1-CB 4.37Å; I486-L524 HydrophobicContact CG2-CB 3.86Å; I486-L524 HydrophobicContact CG2-CD2 4.44Å
487	V	95.6	Very high	92.3	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	123.9	-176.5	-170.9	0	0	0	0	109	V414 I485 L491 F492 L504 L521 N522 I523 L524	V414-V487 HydrophobicContact CB-CG1 4.41Å; V414-V487 HydrophobicContact CB-CG2 4.26Å; V414-V487 HydrophobicContact CG2-CG2 4.47Å; I485-V487 HydrophobicContact CG2-CG2 3.92Å; V487-L491 HydrophobicContact CG1-CB 4.5Å; V487-L491 HydrophobicContact CG1-CD2 3.67Å; V487-F492 HydrophobicContact CB-CZ 4.4Å; V487-F492 HydrophobicContact CG1-CE1 4.06Å; V487-F492 HydrophobicContact CG1-CE2 4.31Å; V487-F492 HydrophobicContact CG1-CZ 3.57Å; V487-L504 HydrophobicContact CG1-CD1 3.94Å; V487-L504 HydrophobicContact CG2-CD1 3.83Å; V487-L504 HydrophobicContact CG2-CD2 4.32Å; V487-L521 HydrophobicContact CG2-CD1 3.88Å; V487-N522 PolarHBondContact N-O 3.28Å; V487-I523 HydrophobicContact CB-CD1 3.88Å; V487-I523 HydrophobicContact CG2-CD1 4.32Å; V487-I523 WeakPolarHBondContact O-CA 3.42Å; V487-L524 PolarHBondContact O-N 3.44Å
488	S	95	Very high	92.1	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	143.2	176.2	169.8	0	0	0	0	111.5	V414 E421 A490 L491	V414-S488 PolarHBondContact O-N 2.8Å; E421-S488 WeakPolarHBondContact OE1-CB 3.42Å; E421-S488 PolarHBondContact OE1-OG 3.36Å; E421-S488 VanDerWaalsContact OE2-CB 3.23Å; E421-S488 WeakPolarHBondContact OE2-CB 3.37Å; E421-S488 PolarHBondContact OE2-OG 3.3Å; S488-A490 PolarHBondContact O-N 2.79Å; S488-A490 VanDerWaalsContact OG-CB 3.23Å; S488-A490 WeakPolarHBondContact OG-CB 3.42Å; S488-A490 PolarHBondContact OG-N 3.42Å; S488-L491 WeakPolarHBondContact O-CB 3.44Å; S488-L491 PolarHBondContact O-N 3.04Å; S488-L491 VanDerWaalsContact O-N 3.13Å
489	T	93.5	Very high	91.9	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.006	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-14.9	169.9	56.5	0	0	0	0	113.5	E381 L491 F492 Q493 I523 L524	E381-T489 VanDerWaalsContact CD-OG1 3.24Å; E381-T489 WeakPolarHBondContact OE1-CB 3.49Å; E381-T489 PolarHBondContact OE1-OG1 3.38Å; E381-T489 PolarHBondContact OE2-OG1 3.27Å; T489-L491 VanDerWaalsContact C-N 3.28Å; T489-L491 PolarHBondContact O-N 2.8Å; T489-F492 HydrophobicContact CG2-CD2 4.41Å; T489-F492 PolarHBondContact O-N 2.92Å; T489-F492 VanDerWaalsContact O-N 3.15Å; T489-Q493 PolarHBondContact O-NE2 3.2Å; T489-I523 HydrophobicContact CG2-CG2 3.75Å; T489-L524 PolarHBondContact N-O 3.43Å
490	A	92	Very high	91.8	Very high	11 Å²	11	19.7 Å²	19.7	9%	0.091	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-40.3	169.4	0	0	0	0	0	112.2	S488 F492 Q493	S488-A490 PolarHBondContact O-N 2.79Å; S488-A490 VanDerWaalsContact OG-CB 3.23Å; S488-A490 WeakPolarHBondContact OG-CB 3.42Å; S488-A490 PolarHBondContact OG-N 3.42Å; A490-F492 PolarHBondContact O-N 2.9Å; A490-Q493 PolarHBondContact O-N 3.35Å; A490-Q493 VanDerWaalsContact O-N 3.14Å
491	L	92.3	Very high	91.8	Very high	3 Å²	3	18.8 Å²	18.8	2%	0.016	9%	0.094	C	C	.	.	G	3₁₀ helix	trans	-57.6	-35.9	177.5	-177.6	68.4	0	0	0	111.5	V414 V487 S488 T489 Q493 R494 L500 L504 I695	V414-L491 HydrophobicContact CG1-CD2 3.92Å; V487-L491 HydrophobicContact CG1-CB 4.5Å; V487-L491 HydrophobicContact CG1-CD2 3.67Å; S488-L491 WeakPolarHBondContact O-CB 3.44Å; S488-L491 PolarHBondContact O-N 3.04Å; S488-L491 VanDerWaalsContact O-N 3.13Å; T489-L491 VanDerWaalsContact C-N 3.28Å; T489-L491 PolarHBondContact O-N 2.8Å; L491-Q493 VanDerWaalsContact C-N 3.26Å; L491-Q493 PolarHBondContact O-N 2.96Å; L491-R494 WeakPolarHBondContact O-CD 3.23Å; L491-R494 WeakPolarHBondContact O-CG 3.44Å; L491-R494 PolarHBondContact O-N 3.35Å; L491-L500 HydrophobicContact CD1-CD1 3.93Å; L491-L500 HydrophobicContact CD2-CD1 4.49Å; L491-L500 HydrophobicContact CG-CD1 4.12Å; L491-L504 HydrophobicContact CD2-CD1 4.33Å; L491-I695 HydrophobicContact CD1-CB 4.41Å; L491-I695 HydrophobicContact CD1-CD1 4.2Å; L491-I695 HydrophobicContact CD1-CG1 4.01Å; L491-I695 HydrophobicContact CD1-CG2 3.65Å
492	F	91.1	Very high	91.7	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	7%	0.066	C	C	.	.	G	3₁₀ helix	trans	-78.5	-5.7	-175.5	-55.5	-39.7	0	0	0	113.9	Y382 F383 P384 V487 T489 A490 R494 A497 Y501 I523	Y382-F492 VanDerWaalsContact CD1-O 3.31Å; Y382-F492 WeakPolarHBondContact CD1-O 3.35Å; F383-F492 AromaticContact CD2-CD2 3.81Å; F383-F492 HydrophobicContact CD2-CD2 3.81Å; F383-F492 HydrophobicContact CD2-CE2 4.1Å; F383-F492 AromaticContact CE2-CD2 3.93Å; F383-F492 HydrophobicContact CE2-CD2 3.93Å; F383-F492 AromaticContact CE2-CE2 3.73Å; F383-F492 HydrophobicContact CE2-CE2 3.73Å; P384-F492 HydrophobicContact CG-CB 4.26Å; P384-F492 HydrophobicContact CG-CD1 3.69Å; P384-F492 HydrophobicContact CG-CD2 4.33Å; P384-F492 HydrophobicContact CG-CE1 4.14Å; P384-F492 HydrophobicContact CG-CG 3.83Å; V487-F492 HydrophobicContact CB-CZ 4.4Å; V487-F492 HydrophobicContact CG1-CE1 4.06Å; V487-F492 HydrophobicContact CG1-CE2 4.31Å; V487-F492 HydrophobicContact CG1-CZ 3.57Å; T489-F492 HydrophobicContact CG2-CD2 4.41Å; T489-F492 PolarHBondContact O-N 2.92Å; T489-F492 VanDerWaalsContact O-N 3.15Å; A490-F492 PolarHBondContact O-N 2.9Å; F492-R494 PolarHBondContact O-N 2.68Å; F492-A497 HydrophobicContact CB-CB 4.06Å; F492-A497 HydrophobicContact CD1-CB 4.25Å; F492-A497 VanDerWaalsContact O-CB 3.23Å; F492-A497 WeakPolarHBondContact O-CB 3.43Å; F492-Y501 AromaticContact CE1-CD2 3.84Å; F492-Y501 HydrophobicContact CE1-CD2 3.84Å; F492-Y501 HydrophobicContact CE1-CG 4.5Å; F492-Y501 HydrophobicContact CE2-CD2 4.29Å; F492-Y501 AromaticContact CZ-CD2 3.56Å; F492-Y501 HydrophobicContact CZ-CD2 3.56Å; F492-Y501 HydrophobicContact CZ-CE2 4.22Å; F492-I523 HydrophobicContact CE2-CD1 4.12Å; F492-I523 HydrophobicContact CE2-CG2 4.19Å; F492-I523 HydrophobicContact CZ-CD1 4.08Å
493	Q	89.8	Confident	91.6	Very high	72 Å²	72	10.6 Å²	10.6	34%	0.336	6%	0.058	S	C	.	.	G	3₁₀ helix	trans	-72	-11.4	173.8	-55.6	-40.8	-63.3	0	0	112.7	Y382 T489 A490 L491	Y382-Q493 VanDerWaalsContact N-OE1 3.12Å; Y382-Q493 PolarHBondContact O-NE2 2.81Å; T489-Q493 PolarHBondContact O-NE2 3.2Å; A490-Q493 PolarHBondContact O-N 3.35Å; A490-Q493 VanDerWaalsContact O-N 3.14Å; L491-Q493 VanDerWaalsContact C-N 3.26Å; L491-Q493 PolarHBondContact O-N 2.96Å
494	R	90	Very high	91.4	Very high	35 Å²	35	10.6 Å²	10.6	13%	0.132	6%	0.058	C	C	.	.	S	Bend	trans	-68.9	160.2	177.3	-63.5	174.2	57.1	106.8	-8.1	112.9	L491 F492 D496 R543 D693 K694	L491-R494 WeakPolarHBondContact O-CD 3.23Å; L491-R494 WeakPolarHBondContact O-CG 3.44Å; L491-R494 PolarHBondContact O-N 3.35Å; F492-R494 PolarHBondContact O-N 2.68Å; R494-D496 VanDerWaalsContact C-N 3.31Å; R494-D496 WeakPolarHBondContact CB-OD1 3.41Å; R494-D496 IonicContact CZ-OD1 3.13Å; R494-D496 IonicContact CZ-OD2 3.65Å; R494-D496 IonicContact NE-OD1 3.34Å; R494-D496 PolarHBondContact NE-OD1 3.33Å; R494-D496 IonicContact NE-OD2 2.75Å; R494-D496 IonicContact NH2-OD1 3.8Å; R494-D496 IonicContact NH2-OD2 2.73Å; R494-D496 PolarHBondContact NH2-OD2 3.39Å; R494-D496 VanDerWaalsContact NH2-OD2 3.16Å; R494-D496 PolarHBondContact O-N 2.86Å; R494-R543 PolarHBondContact O-NH2 3.47Å; R494-D693 VanDerWaalsContact CZ-O 3.25Å; R494-D693 PolarHBondContact NH1-O 3.41Å; R494-D693 PolarHBondContact NH2-O 2.93Å; R494-K694 PolarHBondContact NH1-O 2.99Å
495	P	86.9	Confident	91.2	Very high	84 Å²	84	10.9 Å²	10.9	55%	0.545	6%	0.061	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-31.8	176	-13.8	27.2	0	0	0	113.2	A497 L691	P495-A497 VanDerWaalsContact C-N 3.35Å; P495-L691 HydrophobicContact CB-CD1 3.83Å; P495-L691 HydrophobicContact CG-CD1 3.62Å
496	D	88.9	Confident	90.8	Very high	4 Å²	4	14.8 Å²	14.8	2%	0.021	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.9	16.9	-175.5	58.9	-16.3	0	0	0	113.9	R494 D498 A499 L500 L691	R494-D496 VanDerWaalsContact C-N 3.31Å; R494-D496 WeakPolarHBondContact CB-OD1 3.41Å; R494-D496 IonicContact CZ-OD1 3.13Å; R494-D496 IonicContact CZ-OD2 3.65Å; R494-D496 IonicContact NE-OD1 3.34Å; R494-D496 PolarHBondContact NE-OD1 3.33Å; R494-D496 IonicContact NE-OD2 2.75Å; R494-D496 IonicContact NH2-OD1 3.8Å; R494-D496 IonicContact NH2-OD2 2.73Å; R494-D496 PolarHBondContact NH2-OD2 3.39Å; R494-D496 VanDerWaalsContact NH2-OD2 3.16Å; R494-D496 PolarHBondContact O-N 2.86Å; D496-D498 VanDerWaalsContact C-N 3.34Å; D496-D498 PolarHBondContact O-N 2.75Å; D496-A499 WeakPolarHBondContact O-CB 3.4Å; D496-A499 PolarHBondContact O-N 2.78Å; D496-A499 VanDerWaalsContact O-N 3.13Å; D496-L500 WeakPolarHBondContact O-CG 3.24Å; D496-L500 PolarHBondContact O-N 3.33Å; D496-L500 VanDerWaalsContact O-N 3.15Å; D496-L691 HydrophobicContact CB-CD1 4.21Å; D496-L691 HydrophobicContact CB-CG 4.06Å; D496-L691 WeakPolarHBondContact OD2-CB 3.16Å; D496-L691 PolarHBondContact OD2-N 3.06Å
497	A	88.6	Confident	90.5	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-54.2	-42.6	-174	0	0	0	0	0	114.2	Y382 P384 F492 P495 A499 L500 Y501	Y382-A497 HydrophobicContact CD1-CB 4.46Å; Y382-A497 HydrophobicContact CE1-CB 4.17Å; P384-A497 HydrophobicContact CG-CB 4.21Å; F492-A497 HydrophobicContact CB-CB 4.06Å; F492-A497 HydrophobicContact CD1-CB 4.25Å; F492-A497 VanDerWaalsContact O-CB 3.23Å; F492-A497 WeakPolarHBondContact O-CB 3.43Å; P495-A497 VanDerWaalsContact C-N 3.35Å; A497-A499 PolarHBondContact O-N 3.06Å; A497-L500 PolarHBondContact O-N 3.43Å; A497-Y501 WeakPolarHBondContact O-CB 3.29Å; A497-Y501 PolarHBondContact O-N 3.5Å
498	D	88.1	Confident	90.3	Very high	5 Å²	5	15.5 Å²	15.5	3%	0.027	8%	0.081	C	C	.	.	H	α-helix	trans	-65.6	-37.8	180	-55.9	-88.6	0	0	0	112.4	Y382 P384 S385 L386 D496 A502	Y382-D498 PolarHBondContact OH-OD2 2.99Å; P384-D498 VanDerWaalsContact CA-OD1 3.22Å; P384-D498 WeakPolarHBondContact CA-OD1 3.44Å; P384-D498 HydrophobicContact CB-CB 4.47Å; P384-D498 WeakPolarHBondContact CB-OD1 3.31Å; S385-D498 PolarHBondContact N-OD1 2.85Å; S385-D498 VanDerWaalsContact N-OD1 3.15Å; L386-D498 HydrophobicContact CB-CB 4.28Å; L386-D498 HydrophobicContact CD1-CB 3.74Å; L386-D498 WeakPolarHBondContact CD1-OD1 3.35Å; L386-D498 VanDerWaalsContact CD1-OD2 3.25Å; L386-D498 WeakPolarHBondContact CD1-OD2 3.4Å; L386-D498 PolarHBondContact N-OD1 3.37Å; D496-D498 VanDerWaalsContact C-N 3.34Å; D496-D498 PolarHBondContact O-N 2.75Å; D498-A502 VanDerWaalsContact O-CB 3.27Å; D498-A502 WeakPolarHBondContact O-CB 3.36Å; D498-A502 PolarHBondContact O-N 3.29Å
499	A	88.6	Confident	89.9	Confident	2 Å²	2	18.9 Å²	18.9	2%	0.017	11%	0.105	C	C	.	.	H	α-helix	trans	-65.5	-43.3	175.7	0	0	0	0	0	111.8	D496 A497 A502 C503 Q688 I690	D496-A499 WeakPolarHBondContact O-CB 3.4Å; D496-A499 PolarHBondContact O-N 2.78Å; D496-A499 VanDerWaalsContact O-N 3.13Å; A497-A499 PolarHBondContact O-N 3.06Å; A499-A502 PolarHBondContact O-N 2.95Å; A499-C503 PolarHBondContact O-N 3.22Å; A499-C503 PolarHBondContact O-SG 3.37Å; A499-Q688 HydrophobicContact CB-CB 3.85Å; A499-I690 HydrophobicContact CB-CG1 4.02Å
500	L	89.8	Confident	89.6	Confident	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-64.6	-44.9	177.8	-60.6	179.3	0	0	0	111.2	P460 L463 L491 D496 A497 A502 C503 L504 I690	P460-L500 HydrophobicContact CB-CD2 4.04Å; L463-L500 HydrophobicContact CD1-CB 4.45Å; L463-L500 HydrophobicContact CD1-CD2 4.15Å; L491-L500 HydrophobicContact CD1-CD1 3.93Å; L491-L500 HydrophobicContact CD2-CD1 4.49Å; L491-L500 HydrophobicContact CG-CD1 4.12Å; D496-L500 WeakPolarHBondContact O-CG 3.24Å; D496-L500 PolarHBondContact O-N 3.33Å; D496-L500 VanDerWaalsContact O-N 3.15Å; A497-L500 PolarHBondContact O-N 3.43Å; L500-A502 VanDerWaalsContact C-N 3.34Å; L500-A502 PolarHBondContact O-N 3.39Å; L500-C503 WeakPolarHBondContact O-CB 3.01Å; L500-C503 PolarHBondContact O-N 3.12Å; L500-L504 WeakPolarHBondContact O-CG 3.46Å; L500-L504 PolarHBondContact O-N 3.19Å; L500-I690 HydrophobicContact CD2-CD1 4.44Å; L500-I690 HydrophobicContact CD2-CG1 4.32Å; L500-I690 HydrophobicContact CD2-CG2 3.87Å
501	Y	90.9	Very high	89.4	Confident	1 Å²	1	21.9 Å²	21.9	0%	0.004	12%	0.118	C	C	.	.	H	α-helix	trans	-60.4	-44.9	175.5	-171.9	-83.4	0	0	0	111.5	F383 P384 N395 F492 A497 C503 L504 A505 L521 I523 F681	F383-Y501 HydrophobicContact CZ-CD2 4.45Å; F383-Y501 AromaticContact CZ-CE2 3.93Å; F383-Y501 HydrophobicContact CZ-CE2 3.93Å; P384-Y501 HydrophobicContact CB-CG 4.25Å; P384-Y501 HydrophobicContact CG-CD2 4.18Å; P384-Y501 HydrophobicContact CG-CG 4.14Å; N395-Y501 VanDerWaalsContact C-OH 3.3Å; N395-Y501 WeakPolarHBondContact CA-OH 3.36Å; N395-Y501 WeakPolarHBondContact CB-OH 3.47Å; N395-Y501 WeakPolarHBondContact O-CE2 3.46Å; N395-Y501 PolarHBondContact O-OH 3.29Å; F492-Y501 AromaticContact CE1-CD2 3.84Å; F492-Y501 HydrophobicContact CE1-CD2 3.84Å; F492-Y501 HydrophobicContact CE1-CG 4.5Å; F492-Y501 HydrophobicContact CE2-CD2 4.29Å; F492-Y501 AromaticContact CZ-CD2 3.56Å; F492-Y501 HydrophobicContact CZ-CD2 3.56Å; F492-Y501 HydrophobicContact CZ-CE2 4.22Å; A497-Y501 WeakPolarHBondContact O-CB 3.29Å; A497-Y501 PolarHBondContact O-N 3.5Å; Y501-C503 VanDerWaalsContact C-N 3.29Å; Y501-C503 PolarHBondContact O-N 2.52Å; Y501-L504 WeakPolarHBondContact O-CB 3.33Å; Y501-L504 PolarHBondContact O-N 3.08Å; Y501-L504 VanDerWaalsContact O-N 3.11Å; Y501-A505 HydrophobicContact CD1-CB 4.48Å; Y501-A505 HydrophobicContact CE1-CB 4.19Å; Y501-A505 WeakPolarHBondContact O-CB 3.48Å; Y501-A505 PolarHBondContact O-N 3.12Å; Y501-L521 HydrophobicContact CE2-CD2 4.44Å; Y501-I523 HydrophobicContact CE2-CD1 4.03Å; Y501-F681 AromaticContact CD1-CD1 3.79Å; Y501-F681 HydrophobicContact CD1-CD1 3.79Å; Y501-F681 HydrophobicContact CD1-CD2 4.15Å; Y501-F681 AromaticContact CD1-CE1 3.5Å; Y501-F681 HydrophobicContact CD1-CE1 3.5Å; Y501-F681 VanDerWaalsContact CD1-CE1 3.5Å; Y501-F681 AromaticContact CD1-CE2 3.89Å; Y501-F681 HydrophobicContact CD1-CE2 3.89Å; Y501-F681 HydrophobicContact CD1-CG 4.1Å; Y501-F681 AromaticContact CD1-CZ 3.54Å; Y501-F681 HydrophobicContact CD1-CZ 3.54Å; Y501-F681 HydrophobicContact CE1-CD1 4.25Å; Y501-F681 AromaticContact CE1-CD2 3.77Å; Y501-F681 HydrophobicContact CE1-CD2 3.77Å; Y501-F681 AromaticContact CE1-CE1 3.89Å; Y501-F681 HydrophobicContact CE1-CE1 3.89Å; Y501-F681 AromaticContact CE1-CE2 3.37Å; Y501-F681 HydrophobicContact CE1-CE2 3.37Å; Y501-F681 HydrophobicContact CE1-CG 4.19Å; Y501-F681 AromaticContact CE1-CZ 3.42Å; Y501-F681 HydrophobicContact CE1-CZ 3.42Å; Y501-F681 VanDerWaalsContact CE1-CZ 3.42Å
502	A	89.4	Confident	88.8	Confident	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-62.6	-36.3	178.8	0	0	0	0	0	112.3	D498 A499 L500 R506 F681 I685	D498-A502 VanDerWaalsContact O-CB 3.27Å; D498-A502 WeakPolarHBondContact O-CB 3.36Å; D498-A502 PolarHBondContact O-N 3.29Å; A499-A502 PolarHBondContact O-N 2.95Å; L500-A502 VanDerWaalsContact C-N 3.34Å; L500-A502 PolarHBondContact O-N 3.39Å; A502-R506 WeakPolarHBondContact O-CB 3.44Å; A502-R506 PolarHBondContact O-N 3.35Å; A502-F681 HydrophobicContact CB-CB 4.11Å; A502-F681 HydrophobicContact CB-CD1 4.16Å; A502-I685 HydrophobicContact CB-CD1 4.4Å; A502-I685 HydrophobicContact CB-CG1 3.52Å; A502-I685 WeakPolarHBondContact O-CD1 3.13Å
503	C	89.9	Confident	88.2	Confident	2 Å²	2	30.9 Å²	30.9	1%	0.014	17%	0.167	C	C	.	.	H	α-helix	trans	-62.5	-45.3	171.9	-67.6	0	0	0	0	111.8	L463 A499 L500 Y501 R506 V507	L463-C503 HydrophobicContact CB-CB 4.37Å; A499-C503 PolarHBondContact O-N 3.22Å; A499-C503 PolarHBondContact O-SG 3.37Å; L500-C503 WeakPolarHBondContact O-CB 3.01Å; L500-C503 PolarHBondContact O-N 3.12Å; Y501-C503 VanDerWaalsContact C-N 3.29Å; Y501-C503 PolarHBondContact O-N 2.52Å; C503-R506 PolarHBondContact O-N 3.09Å; C503-V507 WeakPolarHBondContact O-CG2 3.41Å; C503-V507 PolarHBondContact O-N 2.98Å
504	L	91.5	Very high	87.1	Confident	1 Å²	1	34.9 Å²	34.9	1%	0.005	19%	0.186	C	C	.	.	H	α-helix	trans	-64.8	-43.7	178.7	-71.6	160.6	0	0	0	112.3	V414 L463 I485 V487 L491 L500 Y501 R506 V507 A508 L521	V414-L504 HydrophobicContact CG2-CD2 4.17Å; L463-L504 HydrophobicContact CD1-CD1 4.47Å; L463-L504 HydrophobicContact CD1-CG 4.45Å; L463-L504 HydrophobicContact CD2-CD2 3.79Å; L463-L504 HydrophobicContact CD2-CG 4.4Å; I485-L504 HydrophobicContact CG2-CD2 4.17Å; V487-L504 HydrophobicContact CG1-CD1 3.94Å; V487-L504 HydrophobicContact CG2-CD1 3.83Å; V487-L504 HydrophobicContact CG2-CD2 4.32Å; L491-L504 HydrophobicContact CD2-CD1 4.33Å; L500-L504 WeakPolarHBondContact O-CG 3.46Å; L500-L504 PolarHBondContact O-N 3.19Å; Y501-L504 WeakPolarHBondContact O-CB 3.33Å; Y501-L504 PolarHBondContact O-N 3.08Å; Y501-L504 VanDerWaalsContact O-N 3.11Å; L504-R506 VanDerWaalsContact C-N 3.3Å; L504-R506 PolarHBondContact O-N 3.5Å; L504-V507 PolarHBondContact O-N 3.47Å; L504-A508 WeakPolarHBondContact O-CB 3.18Å; L504-A508 PolarHBondContact O-N 2.98Å; L504-L521 HydrophobicContact CB-CD1 4.24Å
505	A	89.7	Confident	86.5	Confident	7 Å²	7	37.2 Å²	37.2	6%	0.058	20%	0.198	C	C	.	.	H	α-helix	trans	-61.7	-38.1	175.2	0	0	0	0	0	111.9	Y501 S509 F681	Y501-A505 HydrophobicContact CD1-CB 4.48Å; Y501-A505 HydrophobicContact CE1-CB 4.19Å; Y501-A505 WeakPolarHBondContact O-CB 3.48Å; Y501-A505 PolarHBondContact O-N 3.12Å; A505-S509 PolarHBondContact O-N 3.03Å; A505-S509 PolarHBondContact O-OG 3.23Å; A505-F681 HydrophobicContact CB-CB 4.19Å; A505-F681 HydrophobicContact CB-CD2 4.45Å; A505-F681 HydrophobicContact CB-CG 4.46Å
506	R	88.9	Confident	85.9	Confident	82 Å²	82	39.5 Å²	39.5	31%	0.309	21%	0.214	S	C	.	.	H	α-helix	trans	-65.7	-43.9	172.9	177.3	169.1	174.9	144.1	3.9	112.3	S467 A502 C503 L504 A508 S509 M510 I685	S467-R506 PolarHBondContact O-NE 3.24Å; A502-R506 WeakPolarHBondContact O-CB 3.44Å; A502-R506 PolarHBondContact O-N 3.35Å; C503-R506 PolarHBondContact O-N 3.09Å; L504-R506 VanDerWaalsContact C-N 3.3Å; L504-R506 PolarHBondContact O-N 3.5Å; R506-A508 VanDerWaalsContact C-N 3.35Å; R506-A508 PolarHBondContact O-N 2.59Å; R506-S509 WeakPolarHBondContact CA-OG 3.3Å; R506-S509 PolarHBondContact O-N 2.69Å; R506-S509 PolarHBondContact O-OG 3.04Å; R506-M510 HydrophobicContact CG-CE 3.84Å; R506-M510 HydrophobicContact CG-SD 4.17Å; R506-M510 VanDerWaalsContact NE-CE 3.29Å; R506-M510 VanDerWaalsContact O-CG 3.28Å; R506-M510 WeakPolarHBondContact O-CG 3.46Å; R506-M510 PolarHBondContact O-N 2.89Å; R506-M510 VanDerWaalsContact O-N 3.12Å; R506-I685 HydrophobicContact CB-CD1 3.69Å; R506-I685 HydrophobicContact CG-CD1 4.16Å
507	V	90.6	Very high	85.5	Confident	1 Å²	1	42.3 Å²	42.3	1%	0.006	24%	0.243	C	C	.	.	H	α-helix	trans	-59.6	-47.9	175.5	170.8	0	0	0	0	110.4	M466 Y474 L477 I485 C503 L504 S509 M510 L511	M466-V507 HydrophobicContact CB-CG2 3.8Å; M466-V507 HydrophobicContact CE-CG1 4.04Å; M466-V507 HydrophobicContact CE-CG2 4.41Å; Y474-V507 HydrophobicContact CD2-CG1 4.23Å; L477-V507 HydrophobicContact CD1-CG1 4.18Å; I485-V507 HydrophobicContact CD1-CG1 4.12Å; C503-V507 WeakPolarHBondContact O-CG2 3.41Å; C503-V507 PolarHBondContact O-N 2.98Å; L504-V507 PolarHBondContact O-N 3.47Å; V507-S509 PolarHBondContact O-N 3.15Å; V507-M510 PolarHBondContact O-N 2.73Å; V507-L511 HydrophobicContact CG1-CD1 4.25Å; V507-L511 WeakPolarHBondContact O-CG 3.37Å; V507-L511 PolarHBondContact O-N 3.43Å
508	A	90.2	Very high	85.5	Confident	15 Å²	15	44 Å²	44	12%	0.124	25%	0.249	C	C	.	.	H	α-helix	trans	-61.6	-40.3	-180	0	0	0	0	0	112.7	L504 R506 M510 L511 I520 L521	L504-A508 WeakPolarHBondContact O-CB 3.18Å; L504-A508 PolarHBondContact O-N 2.98Å; R506-A508 VanDerWaalsContact C-N 3.35Å; R506-A508 PolarHBondContact O-N 2.59Å; A508-M510 VanDerWaalsContact C-N 3.32Å; A508-M510 PolarHBondContact O-N 3.47Å; A508-L511 PolarHBondContact O-N 3.22Å; A508-I520 HydrophobicContact CB-CB 4.38Å; A508-I520 HydrophobicContact CB-CG2 4.42Å; A508-I520 WeakPolarHBondContact O-CD1 3.48Å; A508-L521 HydrophobicContact CB-CB 4.06Å
509	S	87.4	Confident	85.6	Confident	71 Å²	71	45.7 Å²	45.7	50%	0.497	26%	0.256	S	S	.	.	H	α-helix	trans	-72.3	-21.6	177.8	55.7	0	0	0	0	114.3	A505 R506 V507	A505-S509 PolarHBondContact O-N 3.03Å; A505-S509 PolarHBondContact O-OG 3.23Å; R506-S509 WeakPolarHBondContact CA-OG 3.3Å; R506-S509 PolarHBondContact O-N 2.69Å; R506-S509 PolarHBondContact O-OG 3.04Å; V507-S509 PolarHBondContact O-N 3.15Å
510	M	87.3	Confident	85.8	Confident	59 Å²	59	46.4 Å²	46.4	29%	0.291	26%	0.26	S	S	.	.	H	α-helix	trans	-82.7	-18.7	177	-74.7	-177.5	170.3	0	0	114	K469 Y474 R506 V507 A508	K469-M510 HydrophobicContact CG-SD 4.33Å; Y474-M510 HydrophobicContact CE2-CB 4.25Å; R506-M510 HydrophobicContact CG-CE 3.84Å; R506-M510 HydrophobicContact CG-SD 4.17Å; R506-M510 VanDerWaalsContact NE-CE 3.29Å; R506-M510 VanDerWaalsContact O-CG 3.28Å; R506-M510 WeakPolarHBondContact O-CG 3.46Å; R506-M510 PolarHBondContact O-N 2.89Å; R506-M510 VanDerWaalsContact O-N 3.12Å; V507-M510 PolarHBondContact O-N 2.73Å; A508-M510 VanDerWaalsContact C-N 3.32Å; A508-M510 PolarHBondContact O-N 3.47Å
511	L	87.8	Confident	85.9	Confident	15 Å²	15	47.1 Å²	47.1	8%	0.079	26%	0.264	C	S	.	.			trans	-82.8	119	-178.9	-69.5	167.9	0	0	0	109.8	Y474 L477 E478 V507 A508 V513 I520	Y474-L511 HydrophobicContact CE2-CD2 4.09Å; Y474-L511 HydrophobicContact CE2-CG 4.45Å; L477-L511 HydrophobicContact CB-CD1 3.97Å; L477-L511 HydrophobicContact CB-CD2 3.89Å; L477-L511 HydrophobicContact CD1-CD1 4.35Å; L477-L511 HydrophobicContact CD2-CD1 4.49Å; E478-L511 HydrophobicContact CB-CD2 4.21Å; V507-L511 HydrophobicContact CG1-CD1 4.25Å; V507-L511 WeakPolarHBondContact O-CG 3.37Å; V507-L511 PolarHBondContact O-N 3.43Å; A508-L511 PolarHBondContact O-N 3.22Å; L511-V513 PolarHBondContact O-N 3.18Å; L511-I520 HydrophobicContact CB-CD1 3.82Å; L511-I520 HydrophobicContact CD1-CD1 4.36Å; L511-I520 HydrophobicContact CD1-CG2 4.09Å
512	N	78.9	Confident	86.1	Confident	164 Å²	164	47.1 Å²	47.1	88%	0.877	26%	0.264	S	S	*	.			trans	-92.4	90.4	179.5	-159.3	17	0	0	0	109.9
513	V	78.1	Confident	86.4	Confident	29 Å²	29	47.1 Å²	47.1	18%	0.176	26%	0.264	C	S	.	.			trans	-74.7	130.9	-177	-175.4	0	0	0	0	110.1	K481 P483 L511 E515 W518 I520	K481-V513 WeakPolarHBondContact O-CG1 3.47Å; P483-V513 HydrophobicContact CG-CG2 4.07Å; L511-V513 PolarHBondContact O-N 3.18Å; V513-E515 VanDerWaalsContact C-N 3.29Å; V513-E515 PolarHBondContact O-N 2.72Å; V513-W518 HydrophobicContact CG1-CB 3.7Å; V513-W518 HydrophobicContact CG1-CG 4Å; V513-I520 HydrophobicContact CG2-CD1 3.63Å; V513-I520 HydrophobicContact CG2-CG1 3.68Å
514	Q	68.7	Low	86.7	Confident	155 Å²	155	47.1 Å²	47.1	72%	0.724	26%	0.263	S	S	*	.	S	Bend	trans	-66.5	-30.8	-176.6	-64.5	-177.8	-4.5	0	0	112.7
515	E	76.4	Confident	86.9	Confident	84 Å²	84	47.1 Å²	47.1	39%	0.393	26%	0.263	S	S	.	.	S	Bend	trans	-86.4	119.7	179.5	-74.8	-165.2	169.7	0	0	112.2	K482 V513 G517 W518	K482-E515 WeakPolarHBondContact CE-OE1 3.47Å; K482-E515 WeakPolarHBondContact CE-OE2 3.32Å; K482-E515 IonicContact NZ-OE1 2.78Å; K482-E515 PolarHBondContact NZ-OE1 3.34Å; K482-E515 IonicContact NZ-OE2 2.62Å; K482-E515 PolarHBondContact NZ-OE2 2.71Å; V513-E515 VanDerWaalsContact C-N 3.29Å; V513-E515 PolarHBondContact O-N 2.72Å; E515-G517 PolarHBondContact O-N 3.31Å; E515-W518 HydrophobicContact CB-CB 4.42Å; E515-W518 PolarHBondContact O-N 3.16Å
516	P	75.1	Confident	87.1	Confident	133 Å²	133	50 Å²	50	86%	0.864	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	121.9	179.2	26.4	-33	0	0	0	110.2
517	G	80.6	Confident	87.3	Confident	62 Å²	62	47.3 Å²	47.3	64%	0.639	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	97.1	-2.3	175.3	0	0	0	0	0	115.6	E515	E515-G517 PolarHBondContact O-N 3.31Å
518	W	88	Confident	87.5	Confident	36 Å²	36	47.5 Å²	47.5	14%	0.136	27%	0.265	C	S	.	.			trans	-62.8	139.6	172.4	-169.8	-99.2	0	0	0	111.2	D400 K407 K482 P483 M484 V513 E515	D400-W518 WeakPolarHBondContact OD2-CH2 3.42Å; D400-W518 WeakPolarHBondContact OD2-CZ2 3.49Å; D400-W518 WeakPolarHBondContact OD2-CZ3 3.22Å; K407-W518 HydrophobicContact CB-CH2 3.98Å; K407-W518 HydrophobicContact CB-CZ3 4.13Å; K482-W518 HydrophobicContact CB-CD2 4.19Å; K482-W518 HydrophobicContact CB-CH2 4.14Å; K482-W518 HydrophobicContact CB-CZ2 3.72Å; K482-W518 HydrophobicContact CD-CH2 4.36Å; K482-W518 HydrophobicContact CD-CZ3 4.25Å; K482-W518 HydrophobicContact CG-CD2 4.32Å; K482-W518 HydrophobicContact CG-CE3 4.38Å; K482-W518 HydrophobicContact CG-CZ2 4.49Å; P483-W518 PolarHBondContact O-NE1 2.78Å; M484-W518 HydrophobicContact CE-CZ2 4.11Å; V513-W518 HydrophobicContact CG1-CB 3.7Å; V513-W518 HydrophobicContact CG1-CG 4Å; E515-W518 HydrophobicContact CB-CB 4.42Å; E515-W518 PolarHBondContact O-N 3.16Å
519	K	89.5	Confident	87.7	Confident	40 Å²	40	46.9 Å²	46.9	17%	0.174	26%	0.26	C	S	.	.			trans	-114.4	115.7	-174.8	-54.2	-60.3	-170.8	163.8	0	109.8	N399 D400 N522 T671 H674	N399-K519 HydrophobicContact CB-CB 3.56Å; N399-K519 HydrophobicContact CB-CG 3.94Å; D400-K519 HydrophobicContact CB-CB 4.45Å; K519-N522 PolarHBondContact O-ND2 2.83Å; K519-T671 PolarHBondContact NZ-O 3.27Å; K519-H674 WeakPolarHBondContact CD-NE2 3.35Å; K519-H674 WeakPolarHBondContact CE-NE2 3.26Å; K519-H674 PolarHBondContact NZ-CD2 2.91Å; K519-H674 PolarHBondContact NZ-NE2 3.49Å
520	I	92.2	Very high	88.1	Confident	18 Å²	18	43.6 Å²	43.6	9%	0.092	24%	0.237	C	C	.	.			trans	-82.4	-53.7	-171.3	-54.5	155.8	0	0	0	111.3	P483 I485 A508 L511 V513 N522	P483-I520 HydrophobicContact CG-CG1 4.47Å; I485-I520 HydrophobicContact CD1-CG2 3.82Å; I485-I520 HydrophobicContact CG1-CG2 3.86Å; I485-I520 PolarHBondContact N-O 3.47Å; A508-I520 HydrophobicContact CB-CB 4.38Å; A508-I520 HydrophobicContact CB-CG2 4.42Å; A508-I520 WeakPolarHBondContact O-CD1 3.48Å; L511-I520 HydrophobicContact CB-CD1 3.82Å; L511-I520 HydrophobicContact CD1-CD1 4.36Å; L511-I520 HydrophobicContact CD1-CG2 4.09Å; V513-I520 HydrophobicContact CG2-CD1 3.63Å; V513-I520 HydrophobicContact CG2-CG1 3.68Å; I520-N522 PolarHBondContact O-ND2 2.93Å
521	L	93.4	Very high	88.5	Confident	15 Å²	15	40.8 Å²	40.8	8%	0.079	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	125.9	-173.8	-174.9	64.3	0	0	0	110.4	N399 I485 V487 Y501 L504 A508 I523	N399-L521 PolarHBondContact ND2-O 2.67Å; I485-L521 HydrophobicContact CB-CD1 4.49Å; I485-L521 HydrophobicContact CG2-CD1 4.27Å; V487-L521 HydrophobicContact CG2-CD1 3.88Å; Y501-L521 HydrophobicContact CE2-CD2 4.44Å; L504-L521 HydrophobicContact CB-CD1 4.24Å; A508-L521 HydrophobicContact CB-CB 4.06Å; L521-I523 HydrophobicContact CD1-CD1 4.49Å; L521-I523 HydrophobicContact CG-CD1 4.48Å
522	N	95.3	Very high	88.9	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	127.5	-176.2	-71.1	-74.8	0	0	0	109.2	M398 N399 D400 M484 I485 I486 V487 K519 I520	M398-N522 HydrophobicContact CG-CB 3.86Å; N399-N522 PolarHBondContact N-OD1 3.13Å; D400-N522 PolarHBondContact N-OD1 3.39Å; M484-N522 WeakPolarHBondContact CG-ND2 3.3Å; I485-N522 WeakPolarHBondContact O-CA 2.94Å; I485-N522 WeakPolarHBondContact O-CB 3.23Å; I485-N522 PolarHBondContact O-N 2.97Å; I486-N522 WeakPolarHBondContact CA-O 3.49Å; I486-N522 HydrophobicContact CG1-CB 4.37Å; V487-N522 PolarHBondContact N-O 3.28Å; K519-N522 PolarHBondContact O-ND2 2.83Å; I520-N522 PolarHBondContact O-ND2 2.93Å
523	I	95.7	Very high	89.7	Confident	1 Å²	1	32.3 Å²	32.3	1%	0.005	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	126.7	177.9	-54.8	-51.6	0	0	0	109.4	F383 N395 Y396 V397 V487 T489 F492 Y501 L521 T608	F383-I523 HydrophobicContact CE2-CG1 4.47Å; F383-I523 HydrophobicContact CE2-CG2 4.21Å; N395-I523 WeakPolarHBondContact O-CG1 3.46Å; Y396-I523 WeakPolarHBondContact O-CB 3.45Å; V397-I523 PolarHBondContact O-N 2.93Å; V487-I523 HydrophobicContact CB-CD1 3.88Å; V487-I523 HydrophobicContact CG2-CD1 4.32Å; V487-I523 WeakPolarHBondContact O-CA 3.42Å; T489-I523 HydrophobicContact CG2-CG2 3.75Å; F492-I523 HydrophobicContact CE2-CD1 4.12Å; F492-I523 HydrophobicContact CE2-CG2 4.19Å; F492-I523 HydrophobicContact CZ-CD1 4.08Å; Y501-I523 HydrophobicContact CE2-CD1 4.03Å; L521-I523 HydrophobicContact CD1-CD1 4.49Å; L521-I523 HydrophobicContact CG-CD1 4.48Å; I523-T608 PolarHBondContact O-OG1 2.87Å; I523-T608 VanDerWaalsContact O-OG1 3.07Å
524	L	96	Very high	90.5	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.005	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	109.1	174.3	-178	63.2	0	0	0	109.2	P418 E421 A422 L425 I486 V487 T489 T608	P418-L524 HydrophobicContact CB-CD2 4.28Å; E421-L524 HydrophobicContact CB-CD2 4.26Å; A422-L524 HydrophobicContact CB-CD1 3.73Å; A422-L524 HydrophobicContact CB-CD2 4.25Å; A422-L524 HydrophobicContact CB-CG 4.45Å; L425-L524 HydrophobicContact CD1-CD1 4.21Å; L425-L524 HydrophobicContact CD2-CD1 4.39Å; L425-L524 HydrophobicContact CD2-CD2 4.46Å; I486-L524 HydrophobicContact CG2-CB 3.86Å; I486-L524 HydrophobicContact CG2-CD2 4.44Å; V487-L524 PolarHBondContact O-N 3.44Å; T489-L524 PolarHBondContact N-O 3.43Å; L524-T608 HydrophobicContact CD1-CG2 4.42Å
525	H	95.3	Very high	91.8	Very high	1 Å²	1	24.5 Å²	24.5	1%	0.005	14%	0.14	C	C	.	.			trans	-79.6	149.5	172.8	-72.9	-89.4	0	0	0	111.1	A267 Y396 Q530 V531 T608	A267-H525 HydrophobicContact CB-CB 3.51Å; A267-H525 VanDerWaalsContact CB-O 3.23Å; A267-H525 WeakPolarHBondContact CB-O 3.38Å; Y396-H525 PolarHBondContact O-CD2 3.48Å; Y396-H525 PolarHBondContact O-NE2 2.81Å; H525-Q530 VanDerWaalsContact ND1-CG 3.33Å; H525-Q530 WeakPolarHBondContact ND1-CG 3.43Å; H525-V531 HydrophobicContact CB-CG2 4.33Å; H525-V531 VanDerWaalsContact CD2-CG2 3.41Å; H525-V531 WeakPolarHBondContact CD2-CG2 3.21Å; H525-T608 PolarHBondContact N-OG1 3.3Å; H525-T608 VanDerWaalsContact N-OG1 3.08Å
526	R	92.7	Very high	92.7	Very high	67 Å²	67	20.7 Å²	20.7	25%	0.253	12%	0.122	S	C	.	.	S	Bend	trans	-99.7	-32.4	173.1	-59.3	178.9	-62	172	1.4	112	E381 E421	E381-R526 IonicContact OE1-CZ 3.44Å; E381-R526 VanDerWaalsContact OE1-CZ 3.27Å; E381-R526 IonicContact OE1-NE 3.74Å; E381-R526 PolarHBondContact OE1-NE 3.24Å; E381-R526 IonicContact OE1-NH2 2.76Å; E381-R526 PolarHBondContact OE1-NH2 3.12Å; E421-R526 HydrophobicContact CB-CG 4.18Å; E421-R526 HydrophobicContact CG-CG 3.93Å; E421-R526 WeakPolarHBondContact OE1-CD 3.41Å
527	K	93.5	Very high	93.6	Very high	26 Å²	26	15.9 Å²	15.9	11%	0.113	10%	0.098	C	C	.	.			trans	-100	130.2	-175.2	-64.6	-167.3	171.7	-150	0	112	T355 E380 E381 S529 Q530 D560	T355-K527 HydrophobicContact CG2-CB 3.86Å; T355-K527 HydrophobicContact CG2-CD 4.28Å; T355-K527 HydrophobicContact CG2-CG 3.85Å; T355-K527 VanDerWaalsContact OG1-CD 3.25Å; T355-K527 WeakPolarHBondContact OG1-CD 3.14Å; T355-K527 WeakPolarHBondContact OG1-CE 3.27Å; T355-K527 PolarHBondContact OG1-NZ 2.63Å; T355-K527 VanDerWaalsContact OG1-NZ 3.13Å; E380-K527 IonicContact OE2-NZ 3.54Å; E380-K527 PolarHBondContact OE2-NZ 3.12Å; E381-K527 HydrophobicContact CB-CD 4.06Å; K527-S529 VanDerWaalsContact C-N 3.34Å; K527-S529 PolarHBondContact O-N 2.82Å; K527-Q530 HydrophobicContact CB-CB 4.15Å; K527-Q530 PolarHBondContact O-N 3.16Å; K527-D560 IonicContact NZ-OD2 3.88Å; K527-D560 PolarHBondContact NZ-OD2 2.78Å
528	A	94.6	Very high	94.2	Very high	6 Å²	6	13 Å²	13	5%	0.05	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-31.8	-177	0	0	0	0	0	114.2	V264	V264-A528 HydrophobicContact CB-CB 3.98Å; V264-A528 VanDerWaalsContact O-CB 3.31Å; V264-A528 WeakPolarHBondContact O-CB 3.33Å
529	S	95.7	Very high	94.5	Very high	2 Å²	2	15.1 Å²	15.1	1%	0.014	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-19.7	179.1	61.6	0	0	0	0	114.2	G354 T355 V357 M362 K527 V531 A532 A533	G354-S529 WeakPolarHBondContact O-CB 3.29Å; G354-S529 PolarHBondContact O-OG 2.93Å; T355-S529 VanDerWaalsContact C-OG 3.31Å; T355-S529 VanDerWaalsContact CA-OG 3.3Å; T355-S529 WeakPolarHBondContact CA-OG 3.08Å; T355-S529 WeakPolarHBondContact O-CB 3.5Å; T355-S529 PolarHBondContact O-N 3.4Å; T355-S529 PolarHBondContact O-OG 2.71Å; T355-S529 VanDerWaalsContact O-OG 3.07Å; V357-S529 WeakPolarHBondContact O-CB 3.45Å; M362-S529 VanDerWaalsContact CE-CB 3.48Å; K527-S529 VanDerWaalsContact C-N 3.34Å; K527-S529 PolarHBondContact O-N 2.82Å; S529-V531 PolarHBondContact O-N 3.14Å; S529-A532 PolarHBondContact O-N 3.27Å; S529-A533 WeakPolarHBondContact O-CB 3.36Å; S529-A533 PolarHBondContact O-N 2.67Å
530	Q	95.3	Very high	94.6	Very high	2 Å²	2	13.8 Å²	13.8	1%	0.009	8%	0.075	C	C	.	.	H	α-helix	trans	-63.5	-47.1	-165.1	-174.9	72.1	5.4	0	0	112.1	T379 E381 H525 K527 A532 A533 L534	T379-Q530 VanDerWaalsContact CB-OE1 3.29Å; T379-Q530 PolarHBondContact OG1-OE1 3.18Å; E381-Q530 PolarHBondContact O-NE2 2.86Å; H525-Q530 VanDerWaalsContact ND1-CG 3.33Å; H525-Q530 WeakPolarHBondContact ND1-CG 3.43Å; K527-Q530 HydrophobicContact CB-CB 4.15Å; K527-Q530 PolarHBondContact O-N 3.16Å; Q530-A532 PolarHBondContact O-N 2.85Å; Q530-A533 PolarHBondContact O-N 3.07Å; Q530-L534 HydrophobicContact CG-CD1 4.26Å; Q530-L534 VanDerWaalsContact O-CG 3.29Å; Q530-L534 WeakPolarHBondContact O-CG 3.03Å; Q530-L534 PolarHBondContact O-N 2.73Å
531	V	95.9	Very high	94.5	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-63.7	-42.9	-179.2	-176.4	0	0	0	0	111.2	Y396 V397 H525 S529 A533 L534 D535 V606	Y396-V531 HydrophobicContact CD2-CG1 4.4Å; Y396-V531 HydrophobicContact CE2-CG1 4.27Å; V397-V531 HydrophobicContact CG2-CG1 4.16Å; H525-V531 HydrophobicContact CB-CG2 4.33Å; H525-V531 VanDerWaalsContact CD2-CG2 3.41Å; H525-V531 WeakPolarHBondContact CD2-CG2 3.21Å; S529-V531 PolarHBondContact O-N 3.14Å; V531-A533 VanDerWaalsContact C-N 3.33Å; V531-A533 PolarHBondContact O-N 3.12Å; V531-L534 PolarHBondContact O-N 3.02Å; V531-D535 WeakPolarHBondContact O-CB 3.46Å; V531-D535 VanDerWaalsContact O-CG 3.27Å; V531-D535 PolarHBondContact O-N 2.92Å; V531-V606 HydrophobicContact CB-CB 4.35Å; V531-V606 HydrophobicContact CB-CG1 4.18Å; V531-V606 HydrophobicContact CG1-CB 4.24Å; V531-V606 HydrophobicContact CG1-CG1 3.58Å
532	A	96.3	Very high	94.3	Very high	1 Å²	1	13.4 Å²	13.4	1%	0.008	7%	0.073	C	C	.	.	H	α-helix	trans	-63	-40	176.4	0	0	0	0	0	111.8	A359 M362 S529 Q530 D535 V536 V606	A359-A532 HydrophobicContact CB-CB 4.18Å; M362-A532 HydrophobicContact CE-CB 4.21Å; M362-A532 HydrophobicContact SD-CB 4.27Å; S529-A532 PolarHBondContact O-N 3.27Å; Q530-A532 PolarHBondContact O-N 2.85Å; A532-D535 PolarHBondContact O-N 3.26Å; A532-V536 WeakPolarHBondContact O-CB 3.48Å; A532-V536 VanDerWaalsContact O-CG2 3.28Å; A532-V536 WeakPolarHBondContact O-CG2 3.2Å; A532-V536 PolarHBondContact O-N 2.9Å; A532-V606 HydrophobicContact CB-CB 4.13Å; A532-V606 HydrophobicContact CB-CG2 3.94Å
533	A	96.3	Very high	93.9	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-65.3	-40.7	177.4	0	0	0	0	0	112.2	M362 T379 S529 Q530 V531 V536 G537 Y538	M362-A533 HydrophobicContact CE-CB 4.45Å; M362-A533 VanDerWaalsContact SD-CA 3.53Å; M362-A533 HydrophobicContact SD-CB 3.65Å; T379-A533 HydrophobicContact CG2-CB 3.46Å; T379-A533 VanDerWaalsContact CG2-CB 3.46Å; S529-A533 WeakPolarHBondContact O-CB 3.36Å; S529-A533 PolarHBondContact O-N 2.67Å; Q530-A533 PolarHBondContact O-N 3.07Å; V531-A533 VanDerWaalsContact C-N 3.33Å; V531-A533 PolarHBondContact O-N 3.12Å; A533-V536 PolarHBondContact O-N 2.88Å; A533-G537 PolarHBondContact O-N 2.89Å; A533-Y538 HydrophobicContact CB-CG 4.39Å; A533-Y538 WeakPolarHBondContact O-CB 3.49Å; A533-Y538 PolarHBondContact O-N 2.91Å
534	L	95.2	Very high	93.5	Very high	3 Å²	3	19.3 Å²	19.3	2%	0.016	10%	0.103	C	C	.	.	H	α-helix	trans	-67.4	-40.6	174.9	-64.3	177.6	0	0	0	111.7	F383 I390 Y396 Q530 V531 V536 G537 P540	F383-L534 HydrophobicContact CG-CD1 4.42Å; I390-L534 HydrophobicContact CG2-CD2 3.84Å; Y396-L534 HydrophobicContact CD1-CB 4.36Å; Y396-L534 HydrophobicContact CD1-CD1 4.16Å; Y396-L534 HydrophobicContact CD2-CB 4Å; Y396-L534 HydrophobicContact CD2-CD1 3.78Å; Y396-L534 HydrophobicContact CE1-CB 4.14Å; Y396-L534 HydrophobicContact CE2-CB 3.78Å; Y396-L534 HydrophobicContact CE2-CD1 4.44Å; Y396-L534 HydrophobicContact CG-CB 4.28Å; Y396-L534 HydrophobicContact CG-CD1 3.62Å; Q530-L534 HydrophobicContact CG-CD1 4.26Å; Q530-L534 VanDerWaalsContact O-CG 3.29Å; Q530-L534 WeakPolarHBondContact O-CG 3.03Å; Q530-L534 PolarHBondContact O-N 2.73Å; V531-L534 PolarHBondContact O-N 3.02Å; L534-V536 VanDerWaalsContact C-N 3.32Å; L534-V536 PolarHBondContact O-N 2.83Å; L534-G537 WeakPolarHBondContact O-CA 3.28Å; L534-G537 PolarHBondContact O-N 3.12Å; L534-P540 HydrophobicContact CD2-CB 4.14Å
535	D	95.1	Very high	93.1	Very high	16 Å²	16	19.3 Å²	19.3	9%	0.086	10%	0.103	C	C	.	.	H	α-helix	trans	-61.7	-38.5	175.3	-79	-25.5	0	0	0	112	R393 Y396 V531 A532 G537 H661 L662	R393-D535 WeakPolarHBondContact CD-OD1 3.4Å; R393-D535 IonicContact CZ-OD1 2.72Å; R393-D535 IonicContact CZ-OD2 3.27Å; R393-D535 IonicContact NE-OD1 2.82Å; R393-D535 PolarHBondContact NE-OD1 3.17Å; R393-D535 IonicContact NE-OD2 2.98Å; R393-D535 PolarHBondContact NE-OD2 3.44Å; R393-D535 IonicContact NH2-OD1 3Å; R393-D535 IonicContact NH2-OD2 3.04Å; R393-D535 PolarHBondContact NH2-OD2 2.51Å; Y396-D535 WeakPolarHBondContact CE2-OD1 3.5Å; Y396-D535 PolarHBondContact OH-OD1 2.77Å; V531-D535 WeakPolarHBondContact O-CB 3.46Å; V531-D535 VanDerWaalsContact O-CG 3.27Å; V531-D535 PolarHBondContact O-N 2.92Å; A532-D535 PolarHBondContact O-N 3.26Å; D535-G537 VanDerWaalsContact C-N 3.28Å; D535-H661 IonicContact OD1-CE1 3.42Å; D535-H661 IonicContact OD1-NE2 2.82Å; D535-H661 PolarHBondContact OD1-NE2 3.02Å; D535-H661 IonicContact OD2-CD2 3.22Å; D535-H661 IonicContact OD2-NE2 2.66Å; D535-H661 PolarHBondContact OD2-NE2 2.95Å; D535-L662 HydrophobicContact CB-CD2 4.1Å
536	V	94.9	Very high	92.7	Very high	4 Å²	4	23.5 Å²	23.5	2%	0.024	12%	0.123	C	C	.	.	H	α-helix	trans	-73.7	-22	174.7	172.6	0	0	0	0	111.3	V363 K366 A532 A533 L534 Y538 L662	V363-V536 HydrophobicContact CG2-CG1 4.01Å; V363-V536 HydrophobicContact CG2-CG2 3.75Å; K366-V536 HydrophobicContact CD-CG1 3.6Å; K366-V536 PolarHBondContact NZ-O 2.88Å; A532-V536 WeakPolarHBondContact O-CB 3.48Å; A532-V536 VanDerWaalsContact O-CG2 3.28Å; A532-V536 WeakPolarHBondContact O-CG2 3.2Å; A532-V536 PolarHBondContact O-N 2.9Å; A533-V536 PolarHBondContact O-N 2.88Å; L534-V536 VanDerWaalsContact C-N 3.32Å; L534-V536 PolarHBondContact O-N 2.83Å; V536-Y538 HydrophobicContact CB-CD2 4.32Å; V536-Y538 HydrophobicContact CG1-CD2 3.98Å; V536-Y538 HydrophobicContact CG1-CE2 3.84Å; V536-L662 HydrophobicContact CG2-CD1 3.93Å
537	G	93.6	Very high	92.5	Very high	33 Å²	33	29 Å²	29	34%	0.34	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	87.9	49.5	179.4	0	0	0	0	0	113.3	K366 A533 L534 D535	K366-G537 PolarHBondContact NZ-O 3.29Å; A533-G537 PolarHBondContact O-N 2.89Å; L534-G537 WeakPolarHBondContact O-CA 3.28Å; L534-G537 PolarHBondContact O-N 3.12Å; D535-G537 VanDerWaalsContact C-N 3.28Å
538	Y	94.7	Very high	92.1	Very high	1 Å²	1	31.5 Å²	31.5	0%	0.004	16%	0.157	C	C	.	.	P	Polyproline II helix	trans	-79.6	151.8	164.9	-85.3	-119.8	0	0	0	110.5	V353 M362 K366 L377 A533 V536	V353-Y538 HydrophobicContact CB-CE1 4.29Å; V353-Y538 HydrophobicContact CG2-CD1 3.96Å; V353-Y538 HydrophobicContact CG2-CE1 3.31Å; M362-Y538 HydrophobicContact CB-CE2 4.06Å; M362-Y538 PolarHBondContact O-OH 3.01Å; K366-Y538 HydrophobicContact CB-CE2 3.83Å; K366-Y538 HydrophobicContact CD-CD2 4.43Å; K366-Y538 HydrophobicContact CD-CE2 4.11Å; K366-Y538 HydrophobicContact CG-CE2 4.47Å; K366-Y538 PolarHBondContact N-OH 2.99Å; L377-Y538 HydrophobicContact CB-CD1 3.69Å; L377-Y538 HydrophobicContact CB-CE1 3.65Å; L377-Y538 HydrophobicContact CB-CG 4.26Å; L377-Y538 HydrophobicContact CD2-CE1 4.14Å; L377-Y538 HydrophobicContact CG-CE1 4.33Å; A533-Y538 HydrophobicContact CB-CG 4.39Å; A533-Y538 WeakPolarHBondContact O-CB 3.49Å; A533-Y538 PolarHBondContact O-N 2.91Å; V536-Y538 HydrophobicContact CB-CD2 4.32Å; V536-Y538 HydrophobicContact CG1-CD2 3.98Å; V536-Y538 HydrophobicContact CG1-CE2 3.84Å
539	M	93.4	Very high	91.7	Very high	81 Å²	81	34 Å²	34	40%	0.399	18%	0.175	S	C	.	.	B	Isolated β-bridge	trans	-72.6	128.8	171.6	-62.6	-175.3	-176.2	0	0	109.1	L377 C378 T379 G541	L377-M539 WeakPolarHBondContact O-CB 3.21Å; L377-M539 PolarHBondContact O-N 2.94Å; C378-M539 CarbonylContact C-O 3.59Å; C378-M539 WeakPolarHBondContact CA-O 3.17Å; T379-M539 PolarHBondContact N-O 2.88Å; T379-M539 VanDerWaalsContact N-O 3.07Å; M539-G541 PolarHBondContact O-N 3.31Å
540	P	91.7	Very high	91.5	Very high	11 Å²	11	34 Å²	34	7%	0.071	17%	0.174	C	C	.	.	P	Polyproline II helix	trans	-74.8	131.4	-178.8	28.4	-33.8	0	0	0	111.7	T379 Y382 F383 I390 L534	T379-P540 WeakPolarHBondContact OG1-CA 3.35Å; Y382-P540 VanDerWaalsContact CD2-O 3.3Å; Y382-P540 WeakPolarHBondContact CD2-O 3.18Å; F383-P540 HydrophobicContact CB-CB 3.67Å; F383-P540 HydrophobicContact CB-CG 4.24Å; F383-P540 WeakPolarHBondContact O-CG 3.35Å; I390-P540 HydrophobicContact CG2-CG 4.09Å; L534-P540 HydrophobicContact CD2-CB 4.14Å
541	G	90.2	Very high	91.4	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.01	19%	0.194	C	C	.	.	S	Bend	trans	78.8	168.4	172.5	0	0	0	0	0	116.7	C378 T379 E381 M539	C378-G541 WeakPolarHBondContact CB-O 3.35Å; C378-G541 PolarHBondContact SG-O 3.45Å; C378-G541 VanDerWaalsContact SG-O 3.38Å; T379-G541 CarbonylContact O-C 3.5Å; T379-G541 VanDerWaalsContact O-C 3.24Å; T379-G541 WeakPolarHBondContact O-CA 3.19Å; T379-G541 PolarHBondContact O-N 3.08Å; T379-G541 PolarHBondContact OG1-N 3.4Å; T379-G541 VanDerWaalsContact OG1-N 3.12Å; E381-G541 PolarHBondContact O-N 3.16Å; M539-G541 PolarHBondContact O-N 3.31Å
542	I	89.8	Confident	91.3	Very high	24 Å²	24	38.6 Å²	38.6	12%	0.123	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-18	-165.1	-61.2	162	0	0	0	113.7	A544 V545 E546 C561 F563	I542-A544 PolarHBondContact O-N 3.17Å; I542-V545 HydrophobicContact CG2-CB 4.49Å; I542-V545 WeakPolarHBondContact O-CA 3.35Å; I542-V545 WeakPolarHBondContact O-CB 3.4Å; I542-V545 PolarHBondContact O-N 2.64Å; I542-E546 HydrophobicContact CG2-CG 4.15Å; I542-E546 PolarHBondContact O-N 2.92Å; I542-C561 HydrophobicContact CD1-CB 3.68Å; I542-F563 HydrophobicContact CG2-CD1 4.34Å; I542-F563 HydrophobicContact CG2-CE1 3.23Å; I542-F563 HydrophobicContact CG2-CE2 4.43Å; I542-F563 HydrophobicContact CG2-CZ 3.29Å
543	R	86.9	Confident	91.2	Very high	89 Å²	89	38.6 Å²	38.6	34%	0.336	19%	0.194	S	C	.	.	H	α-helix	trans	-54.2	-30.8	-173.1	-65.6	-179.3	-177.6	163.7	5.1	113.9	R494 K547	R494-R543 PolarHBondContact O-NH2 3.47Å; R543-K547 WeakPolarHBondContact O-CB 3.13Å; R543-K547 VanDerWaalsContact O-CG 3.26Å; R543-K547 WeakPolarHBondContact O-CG 3.16Å; R543-K547 PolarHBondContact O-N 3.5Å; R543-K547 VanDerWaalsContact O-N 3.11Å
544	A	86.7	Confident	91.2	Very high	37 Å²	37	38.6 Å²	38.6	31%	0.306	19%	0.194	S	C	.	.	H	α-helix	trans	-68.1	-36.4	177.3	0	0	0	0	0	112.2	T376 I542 R548	T376-A544 HydrophobicContact CG2-CB 4.34Å; I542-A544 PolarHBondContact O-N 3.17Å; A544-R548 WeakPolarHBondContact O-CB 3.49Å; A544-R548 PolarHBondContact O-N 3.22Å; A544-R548 VanDerWaalsContact O-N 3.14Å
545	V	88.3	Confident	91.3	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-67	-46.8	176.1	-175.6	0	0	0	0	110.4	V352 C378 I542 K547 R548 S549 P550 L553 F563	V352-V545 HydrophobicContact CG2-CG2 3.9Å; C378-V545 HydrophobicContact CB-CG2 3.95Å; I542-V545 HydrophobicContact CG2-CB 4.49Å; I542-V545 WeakPolarHBondContact O-CA 3.35Å; I542-V545 WeakPolarHBondContact O-CB 3.4Å; I542-V545 PolarHBondContact O-N 2.64Å; V545-K547 PolarHBondContact O-N 3.3Å; V545-R548 PolarHBondContact O-N 3.05Å; V545-S549 PolarHBondContact O-N 3.41Å; V545-P550 HydrophobicContact CG1-CG 3.83Å; V545-P550 VanDerWaalsContact O-CD 3.28Å; V545-P550 WeakPolarHBondContact O-CD 3.46Å; V545-L553 HydrophobicContact CG1-CD1 3.8Å; V545-F563 HydrophobicContact CG1-CZ 4.3Å
546	E	87	Confident	91.3	Very high	89 Å²	89	37.9 Å²	37.9	42%	0.416	19%	0.19	S	C	.	.	H	α-helix	trans	-60.1	-45	179	-64.9	177.4	147.4	0	0	111.5	I542 R548 S549	I542-E546 HydrophobicContact CG2-CG 4.15Å; I542-E546 PolarHBondContact O-N 2.92Å; E546-R548 VanDerWaalsContact C-N 3.33Å; E546-R548 PolarHBondContact O-N 2.98Å; E546-S549 PolarHBondContact O-N 3.3Å; E546-S549 PolarHBondContact O-OG 3.05Å
547	K	87	Confident	91.3	Very high	182 Å²	182	38.2 Å²	38.2	79%	0.791	19%	0.194	S	C	*	.	H	α-helix	trans	-62.5	-37	177.2	-74.8	175.8	-178	-176.7	0	113.1	R543 V545	R543-K547 WeakPolarHBondContact O-CB 3.13Å; R543-K547 VanDerWaalsContact O-CG 3.26Å; R543-K547 WeakPolarHBondContact O-CG 3.16Å; R543-K547 PolarHBondContact O-N 3.5Å; R543-K547 VanDerWaalsContact O-N 3.11Å; V545-K547 PolarHBondContact O-N 3.3Å
548	R	85.6	Confident	91.3	Very high	79 Å²	79	36.7 Å²	36.7	30%	0.298	18%	0.179	S	C	.	.	H	α-helix	trans	-79.3	-27.9	-177.7	-160.6	177.5	-151.8	-162.9	8.7	112.6	P346 E347 M349 T376 A544 V545 E546	P346-R548 PolarHBondContact O-NH1 3.38Å; E347-R548 VanDerWaalsContact CA-NH2 3.29Å; E347-R548 WeakPolarHBondContact O-CD 3.19Å; E347-R548 PolarHBondContact O-NE 3.4Å; E347-R548 PolarHBondContact O-NH1 3.28Å; E347-R548 PolarHBondContact O-NH2 2.86Å; M349-R548 PolarHBondContact O-NH1 2.96Å; T376-R548 VanDerWaalsContact OG1-CZ 3.29Å; T376-R548 PolarHBondContact OG1-NH1 3.24Å; A544-R548 WeakPolarHBondContact O-CB 3.49Å; A544-R548 PolarHBondContact O-N 3.22Å; A544-R548 VanDerWaalsContact O-N 3.14Å; V545-R548 PolarHBondContact O-N 3.05Å; E546-R548 VanDerWaalsContact C-N 3.33Å; E546-R548 PolarHBondContact O-N 2.98Å
549	S	87.2	Confident	91.1	Very high	60 Å²	60	37 Å²	37	42%	0.42	18%	0.18	S	C	.	.			trans	51	65.7	-176.4	-70.9	0	0	0	0	112.3	V545 E546	V545-S549 PolarHBondContact O-N 3.41Å; E546-S549 PolarHBondContact O-N 3.3Å; E546-S549 PolarHBondContact O-OG 3.05Å
550	P	90.7	Very high	90.7	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	17%	0.173	C	C	.	.			trans	-67.5	152.6	-172.6	30.7	-38.3	0	0	0	112.7	N348 V545 C573	N348-P550 CarbonylContact O-C 3.53Å; N348-P550 WeakPolarHBondContact O-CA 3.44Å; N348-P550 WeakPolarHBondContact O-CB 3.27Å; V545-P550 HydrophobicContact CG1-CG 3.83Å; V545-P550 VanDerWaalsContact O-CD 3.28Å; V545-P550 WeakPolarHBondContact O-CD 3.46Å; P550-C573 WeakPolarHBondContact O-CB 3.2Å; P550-C573 PolarHBondContact O-SG 3.32Å
551	K	92.5	Very high	90.1	Very high	100 Å²	100	35.5 Å²	35.5	44%	0.435	18%	0.175	S	C	.	.	S	Bend	trans	-87.9	-18.6	168.8	-65.6	-174.3	175.2	-175.9	0	113	N348 C573 F574	N348-K551 HydrophobicContact CB-CB 4.04Å; N348-K551 HydrophobicContact CB-CD 4.38Å; N348-K551 HydrophobicContact CB-CG 4.11Å; N348-K551 PolarHBondContact O-N 3.2Å; K551-C573 CarbonylContact O-C 3.42Å; K551-C573 WeakPolarHBondContact O-CA 3.47Å; K551-F574 PolarHBondContact O-N 2.87Å
552	L	94.2	Very high	89.8	Confident	0 Å²	0	42 Å²	42	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	124.2	171	-176.4	151.5	0	0	0	109.7	F341 I344 N348 M349 S350 F574 I576	F341-L552 HydrophobicContact CD1-CD1 3.95Å; F341-L552 HydrophobicContact CD2-CD1 4.4Å; F341-L552 HydrophobicContact CE1-CD1 3.79Å; F341-L552 HydrophobicContact CE1-CD2 3.85Å; F341-L552 HydrophobicContact CE2-CD1 4.24Å; F341-L552 HydrophobicContact CG-CD1 4.26Å; F341-L552 HydrophobicContact CZ-CD1 3.93Å; F341-L552 HydrophobicContact CZ-CD2 3.96Å; I344-L552 HydrophobicContact CD1-CB 3.65Å; I344-L552 HydrophobicContact CD1-CD1 3.9Å; I344-L552 HydrophobicContact CD1-CG 4.41Å; I344-L552 HydrophobicContact CG2-CB 4.35Å; N348-L552 PolarHBondContact O-N 2.81Å; M349-L552 WeakPolarHBondContact CA-O 3.47Å; M349-L552 HydrophobicContact CG-CB 4.42Å; S350-L552 PolarHBondContact N-O 3.4Å; L552-F574 WeakPolarHBondContact CA-O 3.08Å; L552-F574 HydrophobicContact CD1-CD1 4.24Å; L552-F574 HydrophobicContact CG-CD1 4.42Å; L552-I576 HydrophobicContact CD1-CD1 4.43Å
553	L	94.8	Very high	89.6	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	123.9	176.7	-177.4	62.7	0	0	0	109.9	S350 V352 V545 L555 F563 I569 F574 V575 I576	S350-L553 WeakPolarHBondContact O-CA 3.3Å; V352-L553 HydrophobicContact CG2-CD1 4.11Å; V545-L553 HydrophobicContact CG1-CD1 3.8Å; L553-L555 HydrophobicContact CD1-CD2 4.3Å; L553-L555 HydrophobicContact CD2-CD2 3.77Å; L553-L555 HydrophobicContact CD2-CG 4.27Å; L553-L555 HydrophobicContact CG-CD2 3.82Å; L553-L555 HydrophobicContact CG-CG 4.2Å; L553-F563 HydrophobicContact CD2-CD2 4.17Å; L553-F563 HydrophobicContact CD2-CE2 3.91Å; L553-F563 HydrophobicContact CD2-CZ 4.26Å; L553-I569 HydrophobicContact CD2-CD1 3.28Å; L553-I569 HydrophobicContact CD2-CG1 4.12Å; L553-F574 PolarHBondContact N-O 3.32Å; L553-V575 HydrophobicContact CB-CG2 4.41Å; L553-V575 WeakPolarHBondContact O-CA 3.11Å; L553-I576 PolarHBondContact O-N 3.35Å
554	Y	96.1	Very high	89.6	Confident	1 Å²	1	43.4 Å²	43.4	0%	0.004	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	111.4	174.5	-158.9	-69	0	0	0	110	F341 S350 A351 V352 L365 L556 I576 Q578	F341-Y554 HydrophobicContact CZ-CD2 4.43Å; S350-Y554 PolarHBondContact O-N 3.47Å; A351-Y554 CarbonylContact C-O 3.58Å; A351-Y554 WeakPolarHBondContact CA-O 3.47Å; A351-Y554 WeakPolarHBondContact CB-O 3.45Å; V352-Y554 PolarHBondContact N-O 2.83Å; L365-Y554 HydrophobicContact CD1-CD1 4Å; L365-Y554 HydrophobicContact CD1-CE1 4.19Å; L365-Y554 HydrophobicContact CD1-CG 4.18Å; L365-Y554 HydrophobicContact CD2-CD1 4.18Å; Y554-L556 HydrophobicContact CD1-CB 4.41Å; Y554-L556 HydrophobicContact CE1-CB 4.35Å; Y554-I576 HydrophobicContact CD2-CB 4.05Å; Y554-I576 HydrophobicContact CD2-CD1 4.05Å; Y554-I576 HydrophobicContact CD2-CG2 4.03Å; Y554-I576 HydrophobicContact CE2-CB 4.29Å; Y554-I576 HydrophobicContact CE2-CD1 4.29Å; Y554-I576 HydrophobicContact CE2-CG2 3.75Å; Y554-I576 HydrophobicContact CG-CB 4.49Å; Y554-Q578 HydrophobicContact CE1-CB 3.92Å; Y554-Q578 PolarHBondContact OH-OE1 3.44Å
555	L	96.4	Very high	89.5	Confident	1 Å²	1	44.9 Å²	44.9	1%	0.005	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	108.7	175.9	-59.7	-178.7	0	0	0	108.9	V352 L553 A558 F563 V575 I576 Y577 Q578	V352-L555 HydrophobicContact CB-CD2 3.91Å; V352-L555 HydrophobicContact CG2-CD2 4.25Å; L553-L555 HydrophobicContact CD1-CD2 4.3Å; L553-L555 HydrophobicContact CD2-CD2 3.77Å; L553-L555 HydrophobicContact CD2-CG 4.27Å; L553-L555 HydrophobicContact CG-CD2 3.82Å; L553-L555 HydrophobicContact CG-CG 4.2Å; L555-A558 HydrophobicContact CB-CB 4.27Å; L555-A558 HydrophobicContact CD2-CB 4.21Å; L555-F563 HydrophobicContact CD2-CD2 4.15Å; L555-F563 HydrophobicContact CD2-CE2 3.78Å; L555-V575 HydrophobicContact CD1-CG1 3.7Å; L555-V575 HydrophobicContact CG-CG1 4.1Å; L555-I576 PolarHBondContact N-O 3.43Å; L555-Y577 HydrophobicContact CB-CD2 3.85Å; L555-Y577 HydrophobicContact CD1-CD2 4.34Å; L555-Y577 WeakPolarHBondContact O-CA 3.43Å; L555-Q578 PolarHBondContact O-N 2.73Å
556	L	96.6	Very high	89.1	Confident	2 Å²	2	46.9 Å²	46.9	1%	0.01	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	95.3	174	-176.5	61.8	0	0	0	108.5	V352 V353 G354 V357 A361 L365 Y554 A558 Q578 I632	V352-L556 PolarHBondContact O-N 2.91Å; V353-L556 HydrophobicContact CG2-CB 4.46Å; V353-L556 HydrophobicContact CG2-CD2 4.37Å; G354-L556 PolarHBondContact N-O 3.27Å; V357-L556 HydrophobicContact CG1-CD2 3.49Å; V357-L556 VanDerWaalsContact CG1-CD2 3.49Å; V357-L556 HydrophobicContact CG1-CG 3.88Å; V357-L556 HydrophobicContact CG2-CD2 4.39Å; V357-L556 HydrophobicContact CG2-CG 3.89Å; V357-L556 WeakPolarHBondContact CG2-O 3.47Å; A361-L556 HydrophobicContact CB-CD2 4.11Å; L365-L556 HydrophobicContact CB-CD2 4.43Å; L365-L556 HydrophobicContact CD2-CB 3.93Å; L365-L556 HydrophobicContact CD2-CD2 3.79Å; L365-L556 HydrophobicContact CD2-CG 4.49Å; Y554-L556 HydrophobicContact CD1-CB 4.41Å; Y554-L556 HydrophobicContact CE1-CB 4.35Å; L556-A558 PolarHBondContact O-N 2.72Å; L556-A558 VanDerWaalsContact O-N 3.14Å; L556-Q578 CarbonylContact C-O 3.48Å; L556-Q578 WeakPolarHBondContact CA-O 3.35Å; L556-Q578 HydrophobicContact CD1-CB 3.87Å; L556-Q578 HydrophobicContact CD1-CG 3.7Å; L556-I632 HydrophobicContact CD1-CD1 4.48Å; L556-I632 HydrophobicContact CD2-CD1 4.18Å
557	G	94.1	Very high	88.9	Confident	11 Å²	11	49.4 Å²	49.4	11%	0.113	25%	0.25	C	C	.	.	S	Bend	trans	61.7	20.6	179.3	0	0	0	0	0	114	G354 Q578	G354-G557 WeakPolarHBondContact CA-O 3.16Å; G557-Q578 PolarHBondContact N-O 3.26Å
558	A	93.6	Very high	88.7	Confident	1 Å²	1	41.4 Å²	41.4	1%	0.008	22%	0.217	C	C	.	.			trans	-93	111.8	-174.4	0	0	0	0	0	110.5	V352 E380 L555 L556	V352-A558 HydrophobicContact CB-CB 4.27Å; V352-A558 HydrophobicContact CG1-CB 3.94Å; E380-A558 HydrophobicContact CG-CB 4.13Å; E380-A558 VanDerWaalsContact OE1-C 3.26Å; E380-A558 WeakPolarHBondContact OE1-CA 3.46Å; E380-A558 WeakPolarHBondContact OE1-CB 3.31Å; L555-A558 HydrophobicContact CB-CB 4.27Å; L555-A558 HydrophobicContact CD2-CB 4.21Å; L556-A558 PolarHBondContact O-N 2.72Å; L556-A558 VanDerWaalsContact O-N 3.14Å
559	D	90.2	Very high	88.8	Confident	7 Å²	7	38 Å²	38	4%	0.037	21%	0.205	C	C	.	.			trans	-126.1	-19.5	-175.5	-73	-68.3	0	0	0	112.7	E380 C561 Y577 G585 V710	E380-D559 PolarHBondContact OE1-N 2.88Å; D559-C561 VanDerWaalsContact C-N 3.3Å; D559-C561 PolarHBondContact O-N 3.02Å; D559-Y577 WeakPolarHBondContact OD1-CE2 3.12Å; D559-Y577 PolarHBondContact OD1-OH 3.2Å; D559-Y577 PolarHBondContact OD2-OH 3.14Å; D559-G585 VanDerWaalsContact OD1-CA 3.29Å; D559-G585 WeakPolarHBondContact OD1-CA 3.39Å; D559-G585 PolarHBondContact OD1-N 3.23Å; D559-V710 HydrophobicContact CB-CG1 4.35Å; D559-V710 HydrophobicContact CB-CG2 3.77Å; D559-V710 WeakPolarHBondContact OD2-CG2 3.09Å
560	D	85	Confident	88.8	Confident	48 Å²	48	36.6 Å²	36.6	26%	0.257	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90	7.5	-177.2	-64.2	-26	0	0	0	112.9	T355 E380 K527 N562	T355-D560 PolarHBondContact OG1-OD2 2.62Å; E380-D560 PolarHBondContact OE1-N 3.31Å; K527-D560 IonicContact NZ-OD2 3.88Å; K527-D560 PolarHBondContact NZ-OD2 2.78Å; D560-N562 VanDerWaalsContact C-N 3.29Å; D560-N562 PolarHBondContact O-N 3.26Å
561	C	79.7	Confident	88.7	Confident	14 Å²	14	43.3 Å²	43.3	10%	0.095	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-14.6	-174	-64.4	0	0	0	0	114.7	I542 D559 F563	I542-C561 HydrophobicContact CD1-CB 3.68Å; D559-C561 VanDerWaalsContact C-N 3.3Å; D559-C561 PolarHBondContact O-N 3.02Å; C561-F563 HydrophobicContact CB-CD1 4.44Å; C561-F563 HydrophobicContact CB-CD2 3.29Å; C561-F563 HydrophobicContact CB-CE2 3.41Å; C561-F563 VanDerWaalsContact CB-CE2 3.41Å; C561-F563 HydrophobicContact CB-CG 3.87Å; C561-F563 HydrophobicContact CB-CZ 4.11Å; C561-F563 PolarHBondContact O-N 3.14Å
562	N	82.8	Confident	88.5	Confident	137 Å²	137	43.8 Å²	43.8	73%	0.733	23%	0.232	S	C	*	.			trans	49.9	29.1	-174	-70.5	-35.4	0	0	0	114.8	D560	D560-N562 VanDerWaalsContact C-N 3.29Å; D560-N562 PolarHBondContact O-N 3.26Å
563	F	86.2	Confident	88.4	Confident	10 Å²	10	43.8 Å²	43.8	4%	0.044	23%	0.233	C	C	.	.			trans	-62.2	138.1	179.5	-75	-49.2	0	0	0	111.7	V352 I542 V545 L553 L555 C561 S568 I569 L588	V352-F563 HydrophobicContact CG2-CE2 4.1Å; V352-F563 HydrophobicContact CG2-CZ 4.08Å; I542-F563 HydrophobicContact CG2-CD1 4.34Å; I542-F563 HydrophobicContact CG2-CE1 3.23Å; I542-F563 HydrophobicContact CG2-CE2 4.43Å; I542-F563 HydrophobicContact CG2-CZ 3.29Å; V545-F563 HydrophobicContact CG1-CZ 4.3Å; L553-F563 HydrophobicContact CD2-CD2 4.17Å; L553-F563 HydrophobicContact CD2-CE2 3.91Å; L553-F563 HydrophobicContact CD2-CZ 4.26Å; L555-F563 HydrophobicContact CD2-CD2 4.15Å; L555-F563 HydrophobicContact CD2-CE2 3.78Å; C561-F563 HydrophobicContact CB-CD1 4.44Å; C561-F563 HydrophobicContact CB-CD2 3.29Å; C561-F563 HydrophobicContact CB-CE2 3.41Å; C561-F563 VanDerWaalsContact CB-CE2 3.41Å; C561-F563 HydrophobicContact CB-CG 3.87Å; C561-F563 HydrophobicContact CB-CZ 4.11Å; C561-F563 PolarHBondContact O-N 3.14Å; F563-S568 WeakPolarHBondContact CA-OG 3.38Å; F563-S568 WeakPolarHBondContact CD1-OG 3.46Å; F563-I569 HydrophobicContact CB-CD1 3.59Å; F563-I569 HydrophobicContact CB-CG1 4.36Å; F563-I569 HydrophobicContact CD1-CD1 3.75Å; F563-I569 HydrophobicContact CD1-CG1 3.85Å; F563-I569 HydrophobicContact CD2-CD1 3.93Å; F563-I569 HydrophobicContact CE1-CD1 4.29Å; F563-I569 HydrophobicContact CE1-CG1 4.24Å; F563-I569 HydrophobicContact CG-CD1 3.51Å; F563-I569 HydrophobicContact CG-CG1 4.15Å; F563-L588 HydrophobicContact CB-CD1 3.96Å; F563-L588 VanDerWaalsContact O-CD1 3.23Å; F563-L588 WeakPolarHBondContact O-CD1 3.31Å
564	K	86.4	Confident	88.3	Confident	132 Å²	132	44.5 Å²	44.5	57%	0.574	24%	0.236	S	C	*	.			trans	-132.1	127.9	174.3	-67.1	-178.9	-177.8	178.8	0	109.9	G566 I567 S568 I569	K564-G566 PolarHBondContact O-N 3.04Å; K564-I567 HydrophobicContact CB-CB 4.22Å; K564-I567 HydrophobicContact CB-CD1 4.14Å; K564-I567 HydrophobicContact CB-CG1 4.47Å; K564-I567 HydrophobicContact CD-CD1 4.03Å; K564-I567 PolarHBondContact O-N 2.94Å; K564-I567 VanDerWaalsContact O-N 3.13Å; K564-S568 PolarHBondContact N-OG 3.49Å; K564-S568 PolarHBondContact O-N 3.17Å; K564-S568 PolarHBondContact O-OG 2.92Å; K564-I569 PolarHBondContact O-N 2.78Å
565	R	85.8	Confident	88.3	Confident	68 Å²	68	44.5 Å²	44.5	26%	0.257	24%	0.236	S	C	.	.	B	Isolated β-bridge	trans	-59.9	129.1	174.1	-68.1	-177.1	178.1	-95.4	0.1	109.7	H571 C573 L588 D590	R565-H571 PolarHBondContact NH1-O 3.31Å; R565-C573 PolarHBondContact NH1-O 2.87Å; R565-L588 PolarHBondContact NE-O 2.66Å; R565-L588 PolarHBondContact NH2-O 3.48Å; R565-D590 IonicContact CZ-OD1 2.88Å; R565-D590 IonicContact CZ-OD2 3.54Å; R565-D590 IonicContact NH1-OD2 3.16Å; R565-D590 IonicContact NH2-OD1 2.7Å; R565-D590 PolarHBondContact NH2-OD1 3.42Å; R565-D590 IonicContact NH2-OD2 3.38Å; R565-D590 PolarHBondContact NH2-OD2 2.84Å
566	G	79.3	Confident	88.2	Confident	43 Å²	43	44.5 Å²	44.5	44%	0.443	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	90.8	-14.5	-176.6	0	0	0	0	0	115.4	K564 I569 H571	K564-G566 PolarHBondContact O-N 3.04Å; G566-I569 PolarHBondContact N-O 2.52Å; G566-H571 VanDerWaalsContact CA-NE2 3.31Å; G566-H571 WeakPolarHBondContact CA-NE2 3.21Å
567	I	82.7	Confident	88.3	Confident	141 Å²	141	44.5 Å²	44.5	72%	0.723	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-112.2	-61.6	-179.8	-59	172.8	0	0	0	110.4	K564	K564-I567 HydrophobicContact CB-CB 4.22Å; K564-I567 HydrophobicContact CB-CD1 4.14Å; K564-I567 HydrophobicContact CB-CG1 4.47Å; K564-I567 HydrophobicContact CD-CD1 4.03Å; K564-I567 PolarHBondContact O-N 2.94Å; K564-I567 VanDerWaalsContact O-N 3.13Å
568	S	82.6	Confident	88.4	Confident	15 Å²	15	44 Å²	44	11%	0.105	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.2	-24	-177.1	62.2	0	0	0	0	112.7	F563 K564	F563-S568 WeakPolarHBondContact CA-OG 3.38Å; F563-S568 WeakPolarHBondContact CD1-OG 3.46Å; K564-S568 PolarHBondContact N-OG 3.49Å; K564-S568 PolarHBondContact O-N 3.17Å; K564-S568 PolarHBondContact O-OG 2.92Å
569	I	87.5	Confident	88.5	Confident	7 Å²	7	44 Å²	44	4%	0.036	23%	0.23	C	C	.	.	B	Isolated β-bridge	trans	-134.2	140.8	-178.4	-58	169.3	0	0	0	108.3	L553 F563 K564 G566 C573	L553-I569 HydrophobicContact CD2-CD1 3.28Å; L553-I569 HydrophobicContact CD2-CG1 4.12Å; F563-I569 HydrophobicContact CB-CD1 3.59Å; F563-I569 HydrophobicContact CB-CG1 4.36Å; F563-I569 HydrophobicContact CD1-CD1 3.75Å; F563-I569 HydrophobicContact CD1-CG1 3.85Å; F563-I569 HydrophobicContact CD2-CD1 3.93Å; F563-I569 HydrophobicContact CE1-CD1 4.29Å; F563-I569 HydrophobicContact CE1-CG1 4.24Å; F563-I569 HydrophobicContact CG-CD1 3.51Å; F563-I569 HydrophobicContact CG-CG1 4.15Å; K564-I569 PolarHBondContact O-N 2.78Å; G566-I569 PolarHBondContact N-O 2.52Å; I569-C573 HydrophobicContact CG2-CB 3.16Å; I569-C573 WeakPolarHBondContact CG2-SG 3.32Å
570	P	88.3	Confident	88.8	Confident	31 Å²	31	44.3 Å²	44.3	20%	0.201	23%	0.232	C	C	.	.			trans	-54.3	149.6	172.9	-25.6	34.8	0	0	0	113.6	D572 C573	P570-D572 WeakPolarHBondContact CB-OD1 3.39Å; P570-D572 PolarHBondContact O-N 2.9Å; P570-C573 HydrophobicContact CB-CB 4.39Å; P570-C573 VanDerWaalsContact O-CB 3.27Å; P570-C573 WeakPolarHBondContact O-CB 3.35Å; P570-C573 PolarHBondContact O-N 2.77Å
571	H	87	Confident	89.3	Confident	140 Å²	140	42.1 Å²	42.1	65%	0.648	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-33.7	177.7	-76.7	-70.3	0	0	0	112.9	R565 G566 C573	R565-H571 PolarHBondContact NH1-O 3.31Å; G566-H571 VanDerWaalsContact CA-NE2 3.31Å; G566-H571 WeakPolarHBondContact CA-NE2 3.21Å; H571-C573 VanDerWaalsContact C-N 3.31Å
572	D	88.7	Confident	89.7	Confident	110 Å²	110	42.8 Å²	42.8	59%	0.588	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.3	2.1	180	67	-38.7	0	0	0	113.7	P570 F574	P570-D572 WeakPolarHBondContact CB-OD1 3.39Å; P570-D572 PolarHBondContact O-N 2.9Å; D572-F574 PolarHBondContact O-N 3.32Å
573	C	92	Very high	90.1	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.007	21%	0.207	C	C	.	.			trans	-67	128.8	177.3	-173.7	0	0	0	0	111	P550 K551 R565 I569 P570 H571	P550-C573 WeakPolarHBondContact O-CB 3.2Å; P550-C573 PolarHBondContact O-SG 3.32Å; K551-C573 CarbonylContact O-C 3.42Å; K551-C573 WeakPolarHBondContact O-CA 3.47Å; R565-C573 PolarHBondContact NH1-O 2.87Å; I569-C573 HydrophobicContact CG2-CB 3.16Å; I569-C573 WeakPolarHBondContact CG2-SG 3.32Å; P570-C573 HydrophobicContact CB-CB 4.39Å; P570-C573 VanDerWaalsContact O-CB 3.27Å; P570-C573 WeakPolarHBondContact O-CB 3.35Å; P570-C573 PolarHBondContact O-N 2.77Å; H571-C573 VanDerWaalsContact C-N 3.31Å
574	F	93.6	Very high	90.3	Very high	14 Å²	14	39.6 Å²	39.6	6%	0.061	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	112.9	173.4	-173.5	-106.6	0	0	0	110.4	F336 K340 K551 L552 L553 D572 I576 D590 L591	F336-F574 HydrophobicContact CD1-CE2 4.27Å; F336-F574 AromaticContact CD1-CZ 3.79Å; F336-F574 HydrophobicContact CD1-CZ 3.79Å; F336-F574 AromaticContact CE1-CE2 3.39Å; F336-F574 HydrophobicContact CE1-CE2 3.39Å; F336-F574 AromaticContact CE1-CZ 3.37Å; F336-F574 HydrophobicContact CE1-CZ 3.37Å; F336-F574 AromaticContact CZ-CE2 3.99Å; F336-F574 HydrophobicContact CZ-CE2 3.99Å; F336-F574 HydrophobicContact CZ-CZ 4.31Å; K340-F574 HydrophobicContact CB-CD1 4.03Å; K340-F574 HydrophobicContact CB-CE1 3.98Å; K340-F574 HydrophobicContact CD-CD1 4.46Å; K340-F574 HydrophobicContact CD-CD2 4.16Å; K340-F574 HydrophobicContact CD-CE2 4.31Å; K340-F574 HydrophobicContact CD-CG 4.24Å; K340-F574 HydrophobicContact CG-CD1 4Å; K340-F574 HydrophobicContact CG-CD2 4.3Å; K340-F574 HydrophobicContact CG-CE1 3.77Å; K340-F574 HydrophobicContact CG-CE2 4.1Å; K340-F574 HydrophobicContact CG-CG 4.25Å; K340-F574 HydrophobicContact CG-CZ 3.83Å; K551-F574 PolarHBondContact O-N 2.87Å; L552-F574 WeakPolarHBondContact CA-O 3.08Å; L552-F574 HydrophobicContact CD1-CD1 4.24Å; L552-F574 HydrophobicContact CG-CD1 4.42Å; L553-F574 PolarHBondContact N-O 3.32Å; D572-F574 PolarHBondContact O-N 3.32Å; F574-I576 HydrophobicContact CD1-CD1 4.29Å; F574-I576 HydrophobicContact CD1-CG1 3.88Å; F574-I576 HydrophobicContact CE1-CD1 3.86Å; F574-I576 HydrophobicContact CE1-CG1 3.43Å; F574-I576 VanDerWaalsContact CE1-CG1 3.43Å; F574-I576 HydrophobicContact CZ-CG1 4.36Å; F574-D590 WeakPolarHBondContact CA-OD2 3Å; F574-D590 HydrophobicContact CD2-CB 3.58Å; F574-D590 HydrophobicContact CE2-CB 3.36Å; F574-D590 HydrophobicContact CZ-CB 4.21Å; F574-L591 HydrophobicContact CE1-CB 4.42Å; F574-L591 HydrophobicContact CZ-CB 3.81Å
575	V	94.9	Very high	90.5	Very high	2 Å²	2	33.5 Å²	33.5	1%	0.012	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	116.1	-176.2	-178.6	0	0	0	0	110.1	L553 L555 C589 D590 L591	L553-V575 HydrophobicContact CB-CG2 4.41Å; L553-V575 WeakPolarHBondContact O-CA 3.11Å; L555-V575 HydrophobicContact CD1-CG1 3.7Å; L555-V575 HydrophobicContact CG-CG1 4.1Å; V575-C589 HydrophobicContact CG1-CB 4.3Å; V575-D590 PolarHBondContact N-OD2 3.08Å; V575-D590 PolarHBondContact O-N 3.08Å; V575-L591 PolarHBondContact O-N 3.26Å
576	I	96.2	Very high	90.7	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	120.9	170.2	-57.2	173.8	0	0	0	107.3	F341 L552 L553 Y554 L555 F574 L591 L593	F341-I576 HydrophobicContact CE2-CD1 3.66Å; F341-I576 HydrophobicContact CZ-CD1 3.94Å; L552-I576 HydrophobicContact CD1-CD1 4.43Å; L553-I576 PolarHBondContact O-N 3.35Å; Y554-I576 HydrophobicContact CD2-CB 4.05Å; Y554-I576 HydrophobicContact CD2-CD1 4.05Å; Y554-I576 HydrophobicContact CD2-CG2 4.03Å; Y554-I576 HydrophobicContact CE2-CB 4.29Å; Y554-I576 HydrophobicContact CE2-CD1 4.29Å; Y554-I576 HydrophobicContact CE2-CG2 3.75Å; Y554-I576 HydrophobicContact CG-CB 4.49Å; L555-I576 PolarHBondContact N-O 3.43Å; F574-I576 HydrophobicContact CD1-CD1 4.29Å; F574-I576 HydrophobicContact CD1-CG1 3.88Å; F574-I576 HydrophobicContact CE1-CD1 3.86Å; F574-I576 HydrophobicContact CE1-CG1 3.43Å; F574-I576 VanDerWaalsContact CE1-CG1 3.43Å; F574-I576 HydrophobicContact CZ-CG1 4.36Å; I576-L591 CarbonylContact C-O 3.42Å; I576-L591 WeakPolarHBondContact CA-O 3.42Å; I576-L591 HydrophobicContact CG1-CB 4.49Å; I576-L591 HydrophobicContact CG1-CD2 4.36Å; I576-L591 HydrophobicContact CG2-CD2 4.34Å; I576-L593 HydrophobicContact CG2-CD1 3.83Å; I576-L593 HydrophobicContact CG2-CG 4.25Å
577	Y	96.8	Very high	91.3	Very high	2 Å²	2	35.8 Å²	35.8	1%	0.008	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	115.6	173.4	178.5	-94.5	0	0	0	109.7	L313 L555 D559 H581 G585 A586 C589 L591 L592 L593	L313-Y577 HydrophobicContact CD1-CD1 4.15Å; L313-Y577 HydrophobicContact CD1-CE1 3.66Å; L555-Y577 HydrophobicContact CB-CD2 3.85Å; L555-Y577 HydrophobicContact CD1-CD2 4.34Å; L555-Y577 WeakPolarHBondContact O-CA 3.43Å; D559-Y577 WeakPolarHBondContact OD1-CE2 3.12Å; D559-Y577 PolarHBondContact OD1-OH 3.2Å; D559-Y577 PolarHBondContact OD2-OH 3.14Å; Y577-H581 PolarHBondContact OH-O 3.4Å; Y577-G585 VanDerWaalsContact CD2-C 3.43Å; Y577-A586 HydrophobicContact CD1-CB 3.97Å; Y577-A586 HydrophobicContact CE1-CB 3.9Å; Y577-C589 VanDerWaalsContact CB-CB 3.49Å; Y577-L591 PolarHBondContact N-O 3.2Å; Y577-L592 HydrophobicContact CD1-CG 4.46Å; Y577-L592 CarbonylContact O-C 3.55Å; Y577-L592 WeakPolarHBondContact O-CA 3.45Å; Y577-L593 PolarHBondContact O-N 3.4Å
578	Q	97.2	Very high	91.7	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	111.2	168.5	178.7	-176.1	-24.7	0	0	108.6	Y554 L555 L556 G557 L593 D628 I631	Y554-Q578 HydrophobicContact CE1-CB 3.92Å; Y554-Q578 PolarHBondContact OH-OE1 3.44Å; L555-Q578 PolarHBondContact O-N 2.73Å; L556-Q578 CarbonylContact C-O 3.48Å; L556-Q578 WeakPolarHBondContact CA-O 3.35Å; L556-Q578 HydrophobicContact CD1-CB 3.87Å; L556-Q578 HydrophobicContact CD1-CG 3.7Å; G557-Q578 PolarHBondContact N-O 3.26Å; Q578-L593 VanDerWaalsContact CA-O 3.29Å; Q578-L593 WeakPolarHBondContact CA-O 3.45Å; Q578-L593 HydrophobicContact CB-CB 4.18Å; Q578-L593 HydrophobicContact CG-CB 4.32Å; Q578-D628 PolarHBondContact NE2-O 2.87Å; Q578-D628 PolarHBondContact NE2-OD1 3.35Å; Q578-I631 HydrophobicContact CG-CD1 4.22Å; Q578-I631 HydrophobicContact CG-CG2 4.43Å
579	G	96	Very high	92.1	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.01	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.3	-177.4	-178.4	0	0	0	0	0	111.9	L313 L593 G595	L313-G579 WeakPolarHBondContact CD1-O 3.43Å; G579-L593 PolarHBondContact N-O 3.35Å; G579-G595 PolarHBondContact O-N 2.66Å
580	H	95.9	Very high	92.5	Very high	15 Å²	15	31.3 Å²	31.3	7%	0.069	17%	0.171	C	C	.	.	S	Bend	trans	-116	-14.6	-173.3	58.7	83.3	0	0	0	114.3	R312 L313	R312-H580 WeakPolarHBondContact CA-O 3.33Å; R312-H580 WeakPolarHBondContact CD-O 3.33Å; R312-H580 PolarHBondContact NE-O 3.07Å; L313-H580 PolarHBondContact N-O 2.68Å
581	H	95.7	Very high	92.8	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.005	16%	0.161	C	C	.	.	B	Isolated β-bridge	trans	-121.6	155.2	172.8	-72.7	93	0	0	0	111.5	G307 R310 Q311 R312 L313 Y577 V710	G307-H581 PolarHBondContact O-NE2 2.84Å; R310-H581 PolarHBondContact O-CD2 2.95Å; R310-H581 PolarHBondContact O-NE2 2.64Å; Q311-H581 WeakPolarHBondContact O-CA 3.17Å; R312-H581 VanDerWaalsContact CD-NE2 3.3Å; R312-H581 WeakPolarHBondContact CD-NE2 3.39Å; L313-H581 VanDerWaalsContact CD1-O 3.29Å; L313-H581 WeakPolarHBondContact CD1-O 3.32Å; Y577-H581 PolarHBondContact OH-O 3.4Å; H581-V710 HydrophobicContact CB-CB 4.3Å; H581-V710 HydrophobicContact CB-CG1 3.64Å
582	G	88.7	Confident	93.3	Very high	28 Å²	28	23.3 Å²	23.3	29%	0.289	13%	0.131	S	C	.	.			trans	-93.3	102	168.7	0	0	0	0	0	111.9	Q311	Q311-G582 PolarHBondContact O-N 2.82Å
583	D	90.6	Very high	93.7	Very high	48 Å²	48	18 Å²	18	26%	0.257	10%	0.103	S	C	.	.	S	Bend	trans	-133.8	-146.3	170.4	-166	20.5	0	0	0	109.4	G585 A586 E587 V710 K713	D583-G585 PolarHBondContact O-N 3.37Å; D583-A586 PolarHBondContact O-N 2.62Å; D583-E587 PolarHBondContact O-N 3.34Å; D583-V710 HydrophobicContact CB-CG1 3.39Å; D583-K713 WeakPolarHBondContact OD2-CD 3.3Å; D583-K713 IonicContact OD2-NZ 2.64Å; D583-K713 PolarHBondContact OD2-NZ 3Å
584	A	90.4	Very high	93.9	Very high	33 Å²	33	18 Å²	18	27%	0.273	10%	0.103	S	C	.	.	H	α-helix	trans	-55	-42.4	-174.9	0	0	0	0	0	114.5	E587 L588	A584-E587 PolarHBondContact O-N 2.97Å; A584-L588 WeakPolarHBondContact O-CD1 3.4Å; A584-L588 VanDerWaalsContact O-CG 3.31Å; A584-L588 WeakPolarHBondContact O-CG 3.42Å; A584-L588 PolarHBondContact O-N 2.77Å
585	G	89.7	Confident	94.1	Very high	3 Å²	3	17.3 Å²	17.3	3%	0.031	10%	0.1	C	C	.	.	H	α-helix	trans	-68.1	-38.5	-179.8	0	0	0	0	0	112.6	D559 Y577 D583 L588 C589	D559-G585 VanDerWaalsContact OD1-CA 3.29Å; D559-G585 WeakPolarHBondContact OD1-CA 3.39Å; D559-G585 PolarHBondContact OD1-N 3.23Å; Y577-G585 VanDerWaalsContact CD2-C 3.43Å; D583-G585 PolarHBondContact O-N 3.37Å; G585-L588 PolarHBondContact O-N 3.21Å; G585-C589 PolarHBondContact O-N 3.34Å
586	A	91.6	Very high	94.1	Very high	7 Å²	7	17.3 Å²	17.3	6%	0.058	10%	0.1	C	C	.	.	H	α-helix	trans	-70	-35.7	176.5	0	0	0	0	0	112.5	Y577 D583 L588 C589 L592	Y577-A586 HydrophobicContact CD1-CB 3.97Å; Y577-A586 HydrophobicContact CE1-CB 3.9Å; D583-A586 PolarHBondContact O-N 2.62Å; A586-L588 VanDerWaalsContact C-N 3.3Å; A586-L588 PolarHBondContact O-N 2.83Å; A586-C589 PolarHBondContact O-N 3.32Å; A586-C589 PolarHBondContact O-SG 3.31Å; A586-L592 HydrophobicContact CB-CD1 4.04Å
587	E	90.6	Very high	94.1	Very high	153 Å²	153	17.3 Å²	17.3	72%	0.715	10%	0.1	S	C	*	.	H	α-helix	trans	-64.6	-36	177	-172.9	177.2	180	0	0	112.2	R319 D583 A584	R319-E587 PolarHBondContact NH2-O 3.26Å; D583-E587 PolarHBondContact O-N 3.34Å; A584-E587 PolarHBondContact O-N 2.97Å
588	L	91	Very high	94.1	Very high	42 Å²	42	17.3 Å²	17.3	22%	0.22	10%	0.1	C	C	.	.	H	α-helix	trans	-76.1	-21.2	-178.6	-69.6	166.1	0	0	0	113.9	F563 R565 A584 G585 A586	F563-L588 HydrophobicContact CB-CD1 3.96Å; F563-L588 VanDerWaalsContact O-CD1 3.23Å; F563-L588 WeakPolarHBondContact O-CD1 3.31Å; R565-L588 PolarHBondContact NE-O 2.66Å; R565-L588 PolarHBondContact NH2-O 3.48Å; A584-L588 WeakPolarHBondContact O-CD1 3.4Å; A584-L588 VanDerWaalsContact O-CG 3.31Å; A584-L588 WeakPolarHBondContact O-CG 3.42Å; A584-L588 PolarHBondContact O-N 2.77Å; G585-L588 PolarHBondContact O-N 3.21Å; A586-L588 VanDerWaalsContact C-N 3.3Å; A586-L588 PolarHBondContact O-N 2.83Å
589	C	92.7	Very high	94.1	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	10%	0.1	C	C	.	.			trans	-72.9	151.9	-166.3	80.6	0	0	0	0	114.3	R319 V575 Y577 G585 A586	R319-C589 PolarHBondContact NE-O 2.87Å; R319-C589 PolarHBondContact NH2-O 3.32Å; V575-C589 HydrophobicContact CG1-CB 4.3Å; Y577-C589 VanDerWaalsContact CB-CB 3.49Å; G585-C589 PolarHBondContact O-N 3.34Å; A586-C589 PolarHBondContact O-N 3.32Å; A586-C589 PolarHBondContact O-SG 3.31Å
590	D	94.3	Very high	94.1	Very high	26 Å²	26	17.5 Å²	17.5	14%	0.139	10%	0.101	C	C	.	.	S	Bend	trans	-95.9	-28.3	168.4	-59.3	-63.5	0	0	0	111.7	R319 R565 F574 V575	R319-D590 WeakPolarHBondContact CB-O 2.92Å; R319-D590 WeakPolarHBondContact CD-OD1 3.36Å; R319-D590 PolarHBondContact N-O 3.21Å; R565-D590 IonicContact CZ-OD1 2.88Å; R565-D590 IonicContact CZ-OD2 3.54Å; R565-D590 IonicContact NH1-OD2 3.16Å; R565-D590 IonicContact NH2-OD1 2.7Å; R565-D590 PolarHBondContact NH2-OD1 3.42Å; R565-D590 IonicContact NH2-OD2 3.38Å; R565-D590 PolarHBondContact NH2-OD2 2.84Å; F574-D590 WeakPolarHBondContact CA-OD2 3Å; F574-D590 HydrophobicContact CD2-CB 3.58Å; F574-D590 HydrophobicContact CE2-CB 3.36Å; F574-D590 HydrophobicContact CZ-CB 4.21Å; V575-D590 PolarHBondContact N-OD2 3.08Å; V575-D590 PolarHBondContact O-N 3.08Å
591	L	95.6	Very high	94.1	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	127.6	173.2	174.8	70.1	0	0	0	109.6	M317 I318 A333 C337 F574 V575 I576 Y577 L593	M317-L591 WeakPolarHBondContact O-CA 3.35Å; I318-L591 HydrophobicContact CD1-CD1 4.38Å; I318-L591 HydrophobicContact CG1-CD1 3.51Å; A333-L591 HydrophobicContact CB-CD1 4.02Å; C337-L591 WeakPolarHBondContact SG-CD2 3.14Å; F574-L591 HydrophobicContact CE1-CB 4.42Å; F574-L591 HydrophobicContact CZ-CB 3.81Å; V575-L591 PolarHBondContact O-N 3.26Å; I576-L591 CarbonylContact C-O 3.42Å; I576-L591 WeakPolarHBondContact CA-O 3.42Å; I576-L591 HydrophobicContact CG1-CB 4.49Å; I576-L591 HydrophobicContact CG1-CD2 4.36Å; I576-L591 HydrophobicContact CG2-CD2 4.34Å; Y577-L591 PolarHBondContact N-O 3.2Å; L591-L593 HydrophobicContact CD1-CD2 4.22Å; L591-L593 HydrophobicContact CD2-CD2 4.13Å; L591-L593 HydrophobicContact CD2-CG 4.47Å; L591-L593 HydrophobicContact CG-CD2 4.07Å; L591-L593 HydrophobicContact CG-CG 4.37Å
592	L	96.7	Very high	94.1	Very high	3 Å²	3	21.4 Å²	21.4	2%	0.016	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	128.5	178.5	-173	149.2	0	0	0	110	L313 P316 M317 Y577 A586	L313-L592 HydrophobicContact CB-CD2 4.16Å; L313-L592 HydrophobicContact CD1-CD1 3.83Å; L313-L592 HydrophobicContact CD1-CD2 3.88Å; L313-L592 HydrophobicContact CD1-CG 3.98Å; L313-L592 HydrophobicContact CD2-CD1 3.66Å; L313-L592 HydrophobicContact CD2-CD2 4.09Å; L313-L592 HydrophobicContact CD2-CG 4.42Å; L313-L592 HydrophobicContact CG-CD1 4.34Å; L313-L592 HydrophobicContact CG-CD2 4.25Å; P316-L592 VanDerWaalsContact CA-O 3.24Å; P316-L592 WeakPolarHBondContact CA-O 3.34Å; M317-L592 HydrophobicContact CB-CB 4.09Å; M317-L592 PolarHBondContact N-O 2.96Å; M317-L592 VanDerWaalsContact N-O 3.12Å; M317-L592 PolarHBondContact O-N 3.39Å; Y577-L592 HydrophobicContact CD1-CG 4.46Å; Y577-L592 CarbonylContact O-C 3.55Å; Y577-L592 WeakPolarHBondContact O-CA 3.45Å; A586-L592 HydrophobicContact CB-CD1 4.04Å
593	L	97.2	Very high	94.4	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	112.2	177.1	-56.7	179.6	0	0	0	109.4	W330 A333 I576 Y577 Q578 G579 L591 G595 I631 V635	W330-L593 HydrophobicContact CH2-CB 4.3Å; W330-L593 HydrophobicContact CZ3-CB 4.43Å; W330-L593 HydrophobicContact CZ3-CD2 3.9Å; A333-L593 HydrophobicContact CB-CD2 4.07Å; I576-L593 HydrophobicContact CG2-CD1 3.83Å; I576-L593 HydrophobicContact CG2-CG 4.25Å; Y577-L593 PolarHBondContact O-N 3.4Å; Q578-L593 VanDerWaalsContact CA-O 3.29Å; Q578-L593 WeakPolarHBondContact CA-O 3.45Å; Q578-L593 HydrophobicContact CB-CB 4.18Å; Q578-L593 HydrophobicContact CG-CB 4.32Å; G579-L593 PolarHBondContact N-O 3.35Å; L591-L593 HydrophobicContact CD1-CD2 4.22Å; L591-L593 HydrophobicContact CD2-CD2 4.13Å; L591-L593 HydrophobicContact CD2-CG 4.47Å; L591-L593 HydrophobicContact CG-CD2 4.07Å; L591-L593 HydrophobicContact CG-CG 4.37Å; L593-G595 PolarHBondContact O-N 2.72Å; L593-I631 HydrophobicContact CB-CG2 4.14Å; L593-I631 HydrophobicContact CD1-CG2 3.84Å; L593-V635 HydrophobicContact CD1-CG2 4.2Å
594	P	97.1	Very high	94.7	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	114.7	-174.8	31.3	-37.1	0	0	0	112	L313 P316 W330 A625 R626 I631	L313-P594 HydrophobicContact CB-CB 3.9Å; L313-P594 WeakPolarHBondContact O-CB 3.39Å; P316-P594 HydrophobicContact CG-CG 4.16Å; W330-P594 HydrophobicContact CH2-CG 4.35Å; W330-P594 HydrophobicContact CZ2-CG 3.82Å; P594-A625 HydrophobicContact CB-CB 3.95Å; P594-A625 HydrophobicContact CG-CB 4.46Å; P594-A625 WeakPolarHBondContact O-CA 3.47Å; P594-R626 PolarHBondContact O-N 3.44Å; P594-I631 WeakPolarHBondContact O-CD1 3.4Å
595	G	96.5	Very high	95.1	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	8%	0.077	C	C	.	.	B	Isolated β-bridge	trans	-96.2	176.6	177.3	0	0	0	0	0	114.6	G579 L593 R626 D628	G579-G595 PolarHBondContact O-N 2.66Å; L593-G595 PolarHBondContact O-N 2.72Å; G595-R626 CarbonylContact C-O 3.56Å; G595-R626 WeakPolarHBondContact CA-O 3.4Å; G595-D628 WeakPolarHBondContact CA-OD1 3.36Å
596	C	96.2	Very high	95.4	Very high	1 Å²	1	16.5 Å²	16.5	1%	0.007	8%	0.076	C	C	.	.			trans	-86.6	143.4	176.9	-74.4	0	0	0	0	111.9	E600 K601 R626 E627	C596-E600 HydrophobicContact CB-CB 4Å; C596-K601 HydrophobicContact CB-CB 4.05Å; C596-K601 HydrophobicContact CB-CD 4.07Å; C596-K601 HydrophobicContact CB-CG 4.25Å; C596-R626 PolarHBondContact N-O 2.99Å; C596-R626 PolarHBondContact SG-O 2.94Å; C596-E627 PolarHBondContact SG-N 2.82Å
597	A	96.4	Very high	95.6	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	7%	0.074	C	C	.	.			trans	-74.1	165.4	163.6	0	0	0	0	0	111.2	L308 T599 E600	L308-A597 HydrophobicContact CD2-CB 3.74Å; A597-T599 PolarHBondContact O-N 2.85Å; A597-T599 VanDerWaalsContact O-N 3.09Å; A597-E600 PolarHBondContact N-OE2 2.87Å; A597-E600 WeakPolarHBondContact O-CB 3.41Å; A597-E600 PolarHBondContact O-N 3.17Å
598	Y	95.9	Very high	95.8	Very high	2 Å²	2	9 Å²	9	1%	0.008	4%	0.04	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-25.8	-177.8	76.1	-84.3	0	0	0	114.4	V264 M265 I272 I284 L308 E600 I711	V264-Y598 HydrophobicContact CG1-CD2 4.38Å; V264-Y598 HydrophobicContact CG1-CG 4.28Å; V264-Y598 HydrophobicContact CG2-CD1 3.47Å; V264-Y598 VanDerWaalsContact CG2-CD1 3.47Å; V264-Y598 HydrophobicContact CG2-CD2 3.95Å; V264-Y598 HydrophobicContact CG2-CE1 4.03Å; V264-Y598 HydrophobicContact CG2-CE2 4.46Å; V264-Y598 HydrophobicContact CG2-CG 3.43Å; V264-Y598 VanDerWaalsContact CG2-CG 3.43Å; M265-Y598 HydrophobicContact CE-CE1 3.86Å; I272-Y598 HydrophobicContact CD1-CE2 4.08Å; I284-Y598 WeakPolarHBondContact CD1-OH 3.43Å; L308-Y598 HydrophobicContact CD1-CE1 3.85Å; L308-Y598 HydrophobicContact CD2-CD1 4.45Å; L308-Y598 HydrophobicContact CD2-CE1 4.13Å; L308-Y598 HydrophobicContact CG-CE1 4.48Å; Y598-E600 VanDerWaalsContact C-N 3.33Å; Y598-I711 HydrophobicContact CD1-CD1 4.14Å; Y598-I711 HydrophobicContact CE1-CD1 4.09Å
599	T	96.7	Very high	95.9	Very high	0 Å²	0	7.1 Å²	7.1	0%	0	3%	0.03	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-8.5	177.8	60.2	0	0	0	0	114.2	I274 L281 L308 A597 A618 I619	I274-T599 HydrophobicContact CD1-CG2 3.65Å; L281-T599 HydrophobicContact CD1-CG2 4.21Å; L308-T599 HydrophobicContact CD1-CG2 3.59Å; A597-T599 PolarHBondContact O-N 2.85Å; A597-T599 VanDerWaalsContact O-N 3.09Å; T599-A618 PolarHBondContact O-N 3.42Å; T599-I619 PolarHBondContact O-N 3.08Å
600	E	96.4	Very high	96	Very high	6 Å²	6	7.2 Å²	7.2	3%	0.028	3%	0.032	C	C	.	.	S	Bend	trans	-110.4	-3.2	-170.7	-67.7	162.2	178.9	0	0	113.3	R312 C596 A597 Y598 I619 P621 P622	R312-E600 IonicContact CZ-OE1 2.68Å; R312-E600 IonicContact CZ-OE2 2.72Å; R312-E600 IonicContact NH1-OE1 2.7Å; R312-E600 PolarHBondContact NH1-OE1 2.9Å; R312-E600 IonicContact NH1-OE2 3.22Å; R312-E600 VanDerWaalsContact NH2-CD 3.33Å; R312-E600 IonicContact NH2-OE1 3.53Å; R312-E600 PolarHBondContact NH2-OE1 3.37Å; R312-E600 VanDerWaalsContact NH2-OE1 3.13Å; R312-E600 IonicContact NH2-OE2 3.4Å; R312-E600 PolarHBondContact NH2-OE2 3.44Å; C596-E600 HydrophobicContact CB-CB 4Å; A597-E600 PolarHBondContact N-OE2 2.87Å; A597-E600 WeakPolarHBondContact O-CB 3.41Å; A597-E600 PolarHBondContact O-N 3.17Å; Y598-E600 VanDerWaalsContact C-N 3.33Å; E600-I619 WeakPolarHBondContact CA-O 3.37Å; E600-I619 HydrophobicContact CG-CD1 3.86Å; E600-I619 HydrophobicContact CG-CG1 3.76Å; E600-P621 HydrophobicContact CB-CB 4.31Å; E600-P621 HydrophobicContact CG-CB 4.45Å; E600-P622 WeakPolarHBondContact OE1-CD 3.49Å
601	K	95.5	Very high	96.1	Very high	6 Å²	6	6.5 Å²	6.5	3%	0.026	3%	0.027	C	C	.	.	S	Bend	trans	-132.3	148	-175.1	58.8	-177.6	173.2	-177.9	0	111.6	D358 C596 A603 Y605 S615 E627 D628	D358-K601 IonicContact OD1-NZ 3.31Å; D358-K601 PolarHBondContact OD1-NZ 2.94Å; C596-K601 HydrophobicContact CB-CB 4.05Å; C596-K601 HydrophobicContact CB-CD 4.07Å; C596-K601 HydrophobicContact CB-CG 4.25Å; K601-A603 HydrophobicContact CD-CB 3.98Å; K601-A603 HydrophobicContact CG-CB 3.83Å; K601-A603 PolarHBondContact O-N 3.45Å; K601-Y605 VanDerWaalsContact CE-OH 3.29Å; K601-Y605 WeakPolarHBondContact CE-OH 3.4Å; K601-S615 PolarHBondContact O-OG 2.71Å; K601-S615 VanDerWaalsContact O-OG 3.05Å; K601-E627 HydrophobicContact CB-CG 4.38Å; K601-D628 IonicContact NZ-OD2 2.66Å; K601-D628 PolarHBondContact NZ-OD2 3.37Å
602	W	95.6	Very high	96.1	Very high	91 Å²	91	6.6 Å²	6.6	35%	0.345	3%	0.027	S	C	.	.			trans	-86	99.6	166.3	-176	6.1	0	0	0	108.3	S615 F616 I648 R652	W602-S615 WeakPolarHBondContact CA-O 3.34Å; W602-F616 HydrophobicContact CD2-CD1 4.48Å; W602-F616 HydrophobicContact CD2-CE1 4.5Å; W602-F616 AromaticContact CE2-CE1 3.8Å; W602-F616 HydrophobicContact CG-CD1 4.36Å; W602-F616 HydrophobicContact CZ2-CE1 4.14Å; W602-F616 AromaticContact NE1-CD1 3.91Å; W602-F616 AromaticContact NE1-CE1 3.56Å; W602-I648 HydrophobicContact CB-CD1 4.47Å; W602-I648 WeakPolarHBondContact O-CD1 3.29Å; W602-R652 VanDerWaalsContact NE1-NH2 3.18Å; W602-R652 PolarHBondContact O-NH2 3.21Å
603	A	96.2	Very high	96.1	Very high	0 Å²	0	7 Å²	7	0%	0	3%	0.029	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	155	-168.5	0	0	0	0	0	111.6	D358 K601 Y605 Q614 S615	D358-A603 HydrophobicContact CB-CB 3.44Å; D358-A603 VanDerWaalsContact CB-CB 3.44Å; K601-A603 HydrophobicContact CD-CB 3.98Å; K601-A603 HydrophobicContact CG-CB 3.83Å; K601-A603 PolarHBondContact O-N 3.45Å; A603-Y605 HydrophobicContact CB-CE2 3.86Å; A603-Q614 CarbonylContact O-C 3.54Å; A603-Q614 VanDerWaalsContact O-CA 3.3Å; A603-Q614 WeakPolarHBondContact O-CA 3.28Å; A603-S615 WeakPolarHBondContact CB-OG 3.09Å; A603-S615 PolarHBondContact N-O 2.88Å; A603-S615 PolarHBondContact N-OG 3.21Å; A603-S615 PolarHBondContact O-N 2.95Å; A603-S615 PolarHBondContact O-OG 3.16Å
604	T	97.2	Very high	96	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	4%	0.037	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	128.6	177.6	-57.8	0	0	0	0	110.3	A359 E360 A612 Q613 M655 L662 Y665	A359-T604 HydrophobicContact CB-CG2 4.38Å; A359-T604 PolarHBondContact N-O 3.31Å; E360-T604 WeakPolarHBondContact OE1-CB 3.05Å; E360-T604 PolarHBondContact OE1-N 2.86Å; E360-T604 PolarHBondContact OE1-OG1 3.4Å; E360-T604 VanDerWaalsContact OE2-CB 3.3Å; E360-T604 WeakPolarHBondContact OE2-CB 3.38Å; E360-T604 PolarHBondContact OE2-N 3.44Å; E360-T604 PolarHBondContact OE2-OG1 3.05Å; T604-A612 HydrophobicContact CG2-CB 4.5Å; T604-Q613 WeakPolarHBondContact CA-O 3.44Å; T604-M655 HydrophobicContact CG2-CE 4.11Å; T604-L662 WeakPolarHBondContact CG2-O 3.42Å; T604-Y665 HydrophobicContact CG2-CD1 4.46Å; T604-Y665 HydrophobicContact CG2-CE1 3.72Å; T604-Y665 PolarHBondContact OG1-OH 2.92Å
605	Y	97	Very high	95.9	Very high	7 Å²	7	8.6 Å²	8.6	3%	0.027	4%	0.037	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	152.4	173.7	-67.9	-82.5	0	0	0	109.9	V264 F356 V357 D358 K601 A603 A612 Q613	V264-Y605 HydrophobicContact CG1-CD1 3.8Å; V264-Y605 HydrophobicContact CG1-CD2 3.93Å; V264-Y605 HydrophobicContact CG1-CE1 3.61Å; V264-Y605 HydrophobicContact CG1-CE2 3.76Å; V264-Y605 HydrophobicContact CG1-CG 3.95Å; F356-Y605 WeakPolarHBondContact O-CE1 3.48Å; F356-Y605 PolarHBondContact O-OH 3.28Å; V357-Y605 WeakPolarHBondContact O-CE1 3.48Å; D358-Y605 HydrophobicContact CB-CE1 4.31Å; D358-Y605 HydrophobicContact CB-CE2 4.46Å; K601-Y605 VanDerWaalsContact CE-OH 3.29Å; K601-Y605 WeakPolarHBondContact CE-OH 3.4Å; A603-Y605 HydrophobicContact CB-CE2 3.86Å; Y605-A612 WeakPolarHBondContact O-CA 3.3Å; Y605-Q613 PolarHBondContact N-O 3Å; Y605-Q613 PolarHBondContact O-N 2.89Å
606	V	96.8	Very high	95.8	Very high	2 Å²	2	12.7 Å²	12.7	1%	0.012	6%	0.055	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	121.5	177.4	-174.4	0	0	0	0	108.4	V531 A532 R611 A612 L662	V531-V606 HydrophobicContact CB-CB 4.35Å; V531-V606 HydrophobicContact CB-CG1 4.18Å; V531-V606 HydrophobicContact CG1-CB 4.24Å; V531-V606 HydrophobicContact CG1-CG1 3.58Å; A532-V606 HydrophobicContact CB-CB 4.13Å; A532-V606 HydrophobicContact CB-CG2 3.94Å; V606-R611 WeakPolarHBondContact CA-O 3.3Å; V606-A612 HydrophobicContact CG2-CB 4.4Å; V606-L662 HydrophobicContact CG2-CD2 3.48Å; V606-L662 VanDerWaalsContact CG2-CD2 3.48Å
607	N	96	Very high	95.7	Very high	3 Å²	3	15.1 Å²	15.1	2%	0.016	8%	0.075	C	C	.	.			trans	-80	177	-179.2	74.3	-2	0	0	0	112.9	A267 V268 E609 G610 R611	A267-N607 CarbonylContact O-C 3.56Å; A267-N607 WeakPolarHBondContact O-CA 3.26Å; A267-N607 WeakPolarHBondContact O-CB 3.47Å; V268-N607 WeakPolarHBondContact O-CB 3.19Å; V268-N607 PolarHBondContact O-ND2 2.96Å; V268-N607 VanDerWaalsContact O-ND2 3.17Å; N607-E609 VanDerWaalsContact C-N 3.25Å; N607-E609 WeakPolarHBondContact ND2-CG 3.35Å; N607-E609 PolarHBondContact O-N 3.15Å; N607-E609 WeakPolarHBondContact OD1-CG 3.28Å; N607-E609 PolarHBondContact OD1-N 3.13Å; N607-G610 WeakPolarHBondContact O-CA 3.37Å; N607-G610 PolarHBondContact O-N 3.22Å; N607-G610 PolarHBondContact OD1-N 2.98Å; N607-R611 PolarHBondContact N-O 2.84Å; N607-R611 VanDerWaalsContact N-O 3.13Å; N607-R611 VanDerWaalsContact OD1-CB 3.31Å; N607-R611 WeakPolarHBondContact OD1-CB 3.3Å; N607-R611 PolarHBondContact OD1-N 3.31Å; N607-R611 PolarHBondContact OD1-O 3.4Å
608	T	94.7	Very high	95.7	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-28.2	-176.8	-160	0	0	0	0	113.8	A267 V397 M398 I523 L524 H525 G610	A267-T608 PolarHBondContact O-N 3.29Å; V397-T608 WeakPolarHBondContact CG1-O 3.3Å; M398-T608 HydrophobicContact CB-CG2 4.27Å; M398-T608 VanDerWaalsContact CB-O 3.3Å; M398-T608 WeakPolarHBondContact CB-O 3.46Å; M398-T608 PolarHBondContact N-O 3.4Å; M398-T608 HydrophobicContact SD-CG2 4.27Å; I523-T608 PolarHBondContact O-OG1 2.87Å; I523-T608 VanDerWaalsContact O-OG1 3.07Å; L524-T608 HydrophobicContact CD1-CG2 4.42Å; H525-T608 PolarHBondContact N-OG1 3.3Å; H525-T608 VanDerWaalsContact N-OG1 3.08Å; T608-G610 VanDerWaalsContact C-N 3.27Å
609	E	94.1	Very high	95.6	Very high	2 Å²	2	16.5 Å²	16.5	1%	0.009	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.3	5.9	174.7	64.6	166.2	-161	0	0	113.6	V397 M398 S401 I402 N607 R611 R668	V397-E609 WeakPolarHBondContact CG1-O 3.46Å; M398-E609 HydrophobicContact CB-CB 4.29Å; S401-E609 WeakPolarHBondContact CA-OE2 3.24Å; I402-E609 PolarHBondContact N-OE2 2.94Å; I402-E609 VanDerWaalsContact N-OE2 3.17Å; N607-E609 VanDerWaalsContact C-N 3.25Å; N607-E609 WeakPolarHBondContact ND2-CG 3.35Å; N607-E609 PolarHBondContact O-N 3.15Å; N607-E609 WeakPolarHBondContact OD1-CG 3.28Å; N607-E609 PolarHBondContact OD1-N 3.13Å; E609-R611 HydrophobicContact CG-CB 4.29Å; E609-R611 IonicContact OE1-CZ 2.77Å; E609-R611 VanDerWaalsContact OE1-CZ 3.23Å; E609-R611 IonicContact OE1-NE 3.3Å; E609-R611 PolarHBondContact OE1-NE 2.99Å; E609-R611 IonicContact OE1-NH2 3.6Å; E609-R611 PolarHBondContact OE1-NH2 2.93Å; E609-R668 WeakPolarHBondContact O-CG 3.06Å
610	G	93.8	Very high	95.5	Very high	3 Å²	3	21.7 Å²	21.7	3%	0.031	12%	0.115	C	C	.	.			trans	79	18.5	175.3	0	0	0	0	0	114	R393 N607 T608	R393-G610 PolarHBondContact NH1-O 3.03Å; R393-G610 VanDerWaalsContact NH2-CA 3.27Å; R393-G610 PolarHBondContact NH2-O 3.17Å; N607-G610 WeakPolarHBondContact O-CA 3.37Å; N607-G610 PolarHBondContact O-N 3.22Å; N607-G610 PolarHBondContact OD1-N 2.98Å; T608-G610 VanDerWaalsContact C-N 3.27Å
611	R	95.8	Very high	95.4	Very high	11 Å²	11	23.1 Å²	23.1	4%	0.042	13%	0.125	C	C	.	.	B	Isolated β-bridge	trans	-85.1	123.5	174.8	-174.9	-173.8	-54.7	-96.9	-1.3	110.1	E291 V606 N607 E609 Q613 G666	E291-R611 IonicContact OE2-CZ 2.67Å; E291-R611 IonicContact OE2-NH1 3.3Å; E291-R611 PolarHBondContact OE2-NH1 2.86Å; E291-R611 IonicContact OE2-NH2 3.53Å; E291-R611 PolarHBondContact OE2-NH2 3.5Å; V606-R611 WeakPolarHBondContact CA-O 3.3Å; N607-R611 PolarHBondContact N-O 2.84Å; N607-R611 VanDerWaalsContact N-O 3.13Å; N607-R611 VanDerWaalsContact OD1-CB 3.31Å; N607-R611 WeakPolarHBondContact OD1-CB 3.3Å; N607-R611 PolarHBondContact OD1-N 3.31Å; N607-R611 PolarHBondContact OD1-O 3.4Å; E609-R611 HydrophobicContact CG-CB 4.29Å; E609-R611 IonicContact OE1-CZ 2.77Å; E609-R611 VanDerWaalsContact OE1-CZ 3.23Å; E609-R611 IonicContact OE1-NE 3.3Å; E609-R611 PolarHBondContact OE1-NE 2.99Å; E609-R611 IonicContact OE1-NH2 3.6Å; E609-R611 PolarHBondContact OE1-NH2 2.93Å; R611-Q613 HydrophobicContact CG-CG 4.21Å; R611-G666 PolarHBondContact NH1-O 3.32Å
612	A	96.5	Very high	95.3	Very high	1 Å²	1	24.7 Å²	24.7	1%	0.008	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	133.9	170.3	0	0	0	0	0	110.5	T604 Y605 V606 L662 Y665 G666	T604-A612 HydrophobicContact CG2-CB 4.5Å; Y605-A612 WeakPolarHBondContact O-CA 3.3Å; V606-A612 HydrophobicContact CG2-CB 4.4Å; A612-L662 WeakPolarHBondContact CB-O 3.3Å; A612-Y665 HydrophobicContact CB-CD1 4.19Å; A612-Y665 WeakPolarHBondContact O-CA 3.25Å; A612-G666 PolarHBondContact O-N 3.19Å
613	Q	96.2	Very high	95.1	Very high	11 Å²	11	23.3 Å²	23.3	5%	0.051	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	156.7	178.4	-56.3	174.5	-55.7	0	0	109.9	I262 G269 N271 T604 Y605 R611	I262-Q613 HydrophobicContact CD1-CB 3.85Å; I262-Q613 HydrophobicContact CD1-CG 4.34Å; I262-Q613 HydrophobicContact CG1-CB 3.78Å; I262-Q613 HydrophobicContact CG2-CB 4.35Å; I262-Q613 VanDerWaalsContact CG2-OE1 3.3Å; G269-Q613 PolarHBondContact O-NE2 3.28Å; G269-Q613 PolarHBondContact O-OE1 3Å; N271-Q613 PolarHBondContact OD1-NE2 3.36Å; T604-Q613 WeakPolarHBondContact CA-O 3.44Å; Y605-Q613 PolarHBondContact N-O 3Å; Y605-Q613 PolarHBondContact O-N 2.89Å; R611-Q613 HydrophobicContact CG-CG 4.21Å
614	Q	94.6	Very high	95	Very high	34 Å²	34	26 Å²	26	16%	0.159	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	129.6	180	-58.4	-171.1	-63.2	0	0	111.2	I262 A603 F616 Y665	I262-Q614 VanDerWaalsContact CG1-O 3.31Å; I262-Q614 WeakPolarHBondContact CG1-O 3.29Å; A603-Q614 CarbonylContact O-C 3.54Å; A603-Q614 VanDerWaalsContact O-CA 3.3Å; A603-Q614 WeakPolarHBondContact O-CA 3.28Å; Q614-F616 HydrophobicContact CB-CE2 4.45Å; Q614-F616 HydrophobicContact CB-CZ 4.45Å; Q614-Y665 VanDerWaalsContact CD-CD2 3.5Å; Q614-Y665 HydrophobicContact CG-CD1 3.28Å; Q614-Y665 HydrophobicContact CG-CD2 3.94Å; Q614-Y665 HydrophobicContact CG-CE1 3.27Å; Q614-Y665 HydrophobicContact CG-CE2 3.96Å; Q614-Y665 HydrophobicContact CG-CG 3.61Å; Q614-Y665 PolarHBondContact NE2-OH 2.97Å; Q614-Y665 VanDerWaalsContact NE2-OH 3.08Å
615	S	95.1	Very high	94.9	Very high	0 Å²	0	26 Å²	26	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	150	161	71	0	0	0	0	109.6	S261 K601 W602 A603	S261-S615 WeakPolarHBondContact OG-CA 3.23Å; S261-S615 WeakPolarHBondContact OG-CB 3.38Å; K601-S615 PolarHBondContact O-OG 2.71Å; K601-S615 VanDerWaalsContact O-OG 3.05Å; W602-S615 WeakPolarHBondContact CA-O 3.34Å; A603-S615 WeakPolarHBondContact CB-OG 3.09Å; A603-S615 PolarHBondContact N-O 2.88Å; A603-S615 PolarHBondContact N-OG 3.21Å; A603-S615 PolarHBondContact O-N 2.95Å; A603-S615 PolarHBondContact O-OG 3.16Å
616	F	95.3	Very high	94.9	Very high	86 Å²	86	31.2 Å²	31.2	38%	0.377	18%	0.183	S	C	.	.			trans	-117.4	143.9	171.1	-66	-84	0	0	0	110	T259 E260 S261 W602 Q614 A618	T259-F616 HydrophobicContact CG2-CB 3.89Å; E260-F616 VanDerWaalsContact O-CD2 3.3Å; E260-F616 WeakPolarHBondContact O-CD2 3.33Å; S261-F616 PolarHBondContact OG-N 3.2Å; W602-F616 HydrophobicContact CD2-CD1 4.48Å; W602-F616 HydrophobicContact CD2-CE1 4.5Å; W602-F616 AromaticContact CE2-CE1 3.8Å; W602-F616 HydrophobicContact CG-CD1 4.36Å; W602-F616 HydrophobicContact CZ2-CE1 4.14Å; W602-F616 AromaticContact NE1-CD1 3.91Å; W602-F616 AromaticContact NE1-CE1 3.56Å; Q614-F616 HydrophobicContact CB-CE2 4.45Å; Q614-F616 HydrophobicContact CB-CZ 4.45Å; F616-A618 PolarHBondContact O-N 2.81Å; F616-A618 VanDerWaalsContact O-N 3.14Å
617	A	94.6	Very high	94.8	Very high	52 Å²	52	32.9 Å²	32.9	43%	0.43	19%	0.191	S	C	.	.			trans	-66.3	113.2	178.5	0	0	0	0	0	110.4
618	A	94.7	Very high	94.9	Very high	9 Å²	9	33.1 Å²	33.1	7%	0.074	19%	0.192	C	C	.	.			trans	-87.5	-39.6	176.6	0	0	0	0	0	111.5	T259 I274 H276 T599 F616	T259-A618 HydrophobicContact CG2-CB 4.07Å; I274-A618 HydrophobicContact CB-CB 3.98Å; I274-A618 HydrophobicContact CD1-CB 4.1Å; I274-A618 HydrophobicContact CG2-CB 3.63Å; H276-A618 PolarHBondContact CE1-O 3.03Å; H276-A618 PolarHBondContact NE2-O 2.84Å; H276-A618 VanDerWaalsContact NE2-O 3.15Å; T599-A618 PolarHBondContact O-N 3.42Å; F616-A618 PolarHBondContact O-N 2.81Å; F616-A618 VanDerWaalsContact O-N 3.14Å
619	I	94.8	Very high	95	Very high	23 Å²	23	33.7 Å²	33.7	12%	0.118	19%	0.194	C	C	.	.	S	Bend	trans	-130.1	162.7	-179.7	54.5	152.8	0	0	0	110.3	H276 G279 L281 T599 E600	H276-I619 HydrophobicContact CB-CG2 3.91Å; G279-I619 WeakPolarHBondContact O-CG2 3.16Å; L281-I619 HydrophobicContact CD1-CD1 4.04Å; L281-I619 HydrophobicContact CD2-CD1 4.27Å; L281-I619 HydrophobicContact CD2-CG1 4.09Å; L281-I619 HydrophobicContact CD2-CG2 3.99Å; L281-I619 HydrophobicContact CG-CD1 3.8Å; L281-I619 HydrophobicContact CG-CG1 4.18Å; L281-I619 HydrophobicContact CG-CG2 4.34Å; T599-I619 PolarHBondContact O-N 3.08Å; E600-I619 WeakPolarHBondContact CA-O 3.37Å; E600-I619 HydrophobicContact CG-CD1 3.86Å; E600-I619 HydrophobicContact CG-CG1 3.76Å
620	T	94.1	Very high	95.1	Very high	109 Å²	109	39.6 Å²	39.6	67%	0.669	22%	0.216	S	C	*	.	P	Polyproline II helix	trans	-81.4	147	171.1	52.3	0	0	0	0	110.4
621	P	94	Very high	95.2	Very high	35 Å²	35	39.6 Å²	39.6	23%	0.227	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-64.3	150.1	178.2	29.8	-37.5	0	0	0	112.1	E600 A625	E600-P621 HydrophobicContact CB-CB 4.31Å; E600-P621 HydrophobicContact CG-CB 4.45Å; P621-A625 HydrophobicContact CB-CB 4.01Å
622	P	93.1	Very high	95.3	Very high	40 Å²	40	39.1 Å²	39.1	26%	0.26	21%	0.214	S	C	.	.	S	Bend	trans	-73.7	143.7	-177.8	30.8	-36	0	0	0	112.1	R312 V314 E600 I624 A625	R312-P622 HydrophobicContact CB-CG 4.07Å; R312-P622 HydrophobicContact CG-CG 4.45Å; V314-P622 HydrophobicContact CG1-CB 4.14Å; V314-P622 HydrophobicContact CG1-CG 4.43Å; E600-P622 WeakPolarHBondContact OE1-CD 3.49Å; P622-I624 PolarHBondContact O-N 3.44Å; P622-A625 WeakPolarHBondContact O-CB 3.49Å; P622-A625 PolarHBondContact O-N 3.38Å
623	G	92.1	Very high	95.3	Very high	61 Å²	61	40.7 Å²	40.7	63%	0.629	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.8	-130.9	176.3	0	0	0	0	0	113.4
624	I	94.3	Very high	95.3	Very high	57 Å²	57	41.8 Å²	41.8	29%	0.292	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.7	19.3	178.2	60.2	171.3	0	0	0	112.6	V314 P316 W330 P622 R626	V314-I624 WeakPolarHBondContact O-CG1 3.37Å; V314-I624 PolarHBondContact O-N 3Å; P316-I624 VanDerWaalsContact CD-CD1 3.45Å; P316-I624 HydrophobicContact CG-CD1 4.48Å; W330-I624 PolarHBondContact NE1-O 2.96Å; P622-I624 PolarHBondContact O-N 3.44Å; I624-R626 PolarHBondContact O-NH1 3.33Å
625	A	95.2	Very high	95.3	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.223	C	C	.	.			trans	-59.2	154.1	170.5	0	0	0	0	0	111.9	V314 P594 P621 P622	V314-A625 PolarHBondContact O-N 3Å; P594-A625 HydrophobicContact CB-CB 3.95Å; P594-A625 HydrophobicContact CG-CB 4.46Å; P594-A625 WeakPolarHBondContact O-CA 3.47Å; P621-A625 HydrophobicContact CB-CB 4.01Å; P622-A625 WeakPolarHBondContact O-CB 3.49Å; P622-A625 PolarHBondContact O-N 3.38Å
626	R	96.1	Very high	95.4	Very high	116 Å²	116	40.2 Å²	40.2	44%	0.438	22%	0.223	S	C	.	.	B	Isolated β-bridge	trans	-138.1	160.4	-174.8	-65	-65.2	-179.5	-97.1	2.9	111.2	W330 P594 G595 C596 I624 I631	W330-R626 HydrophobicContact CZ2-CB 4.3Å; W330-R626 HydrophobicContact CZ2-CG 3.98Å; P594-R626 PolarHBondContact O-N 3.44Å; G595-R626 CarbonylContact C-O 3.56Å; G595-R626 WeakPolarHBondContact CA-O 3.4Å; C596-R626 PolarHBondContact N-O 2.99Å; C596-R626 PolarHBondContact SG-O 2.94Å; I624-R626 PolarHBondContact O-NH1 3.33Å; R626-I631 HydrophobicContact CB-CD1 4.15Å; R626-I631 HydrophobicContact CB-CG1 3.83Å; R626-I631 WeakPolarHBondContact O-CD1 3.41Å
627	E	95.9	Very high	95.4	Very high	38 Å²	38	41.7 Å²	41.7	18%	0.178	23%	0.231	C	C	.	.			trans	-57.9	141.4	173.4	-71.7	176.7	-174.4	0	0	111.1	C596 K601 W629 R630 I631	C596-E627 PolarHBondContact SG-N 2.82Å; K601-E627 HydrophobicContact CB-CG 4.38Å; E627-W629 PolarHBondContact O-N 2.98Å; E627-W629 PolarHBondContact OE2-NE1 2.72Å; E627-R630 HydrophobicContact CB-CB 4.43Å; E627-R630 HydrophobicContact CB-CG 4.03Å; E627-R630 WeakPolarHBondContact O-CB 3.38Å; E627-R630 PolarHBondContact O-N 3.27Å; E627-R630 VanDerWaalsContact O-N 3.08Å; E627-R630 IonicContact OE1-NH2 2.72Å; E627-R630 PolarHBondContact OE1-NH2 3.42Å; E627-R630 IonicContact OE2-CZ 2.81Å; E627-R630 VanDerWaalsContact OE2-CZ 3.31Å; E627-R630 IonicContact OE2-NE 3.78Å; E627-R630 PolarHBondContact OE2-NE 3.4Å; E627-R630 IonicContact OE2-NH2 2.77Å; E627-R630 PolarHBondContact OE2-NH2 3.47Å; E627-I631 PolarHBondContact O-N 3.25Å
628	D	96.8	Very high	95.3	Very high	7 Å²	7	40.6 Å²	40.6	4%	0.037	22%	0.223	C	C	.	.	H	α-helix	trans	-63.9	-43.6	-166.5	-69.8	-52.5	0	0	0	113.5	A361 Q578 G595 K601 R630 I631 I632	A361-D628 HydrophobicContact CB-CB 3.68Å; Q578-D628 PolarHBondContact NE2-O 2.87Å; Q578-D628 PolarHBondContact NE2-OD1 3.35Å; G595-D628 WeakPolarHBondContact CA-OD1 3.36Å; K601-D628 IonicContact NZ-OD2 2.66Å; K601-D628 PolarHBondContact NZ-OD2 3.37Å; D628-R630 VanDerWaalsContact C-N 3.29Å; D628-R630 PolarHBondContact O-N 2.74Å; D628-I631 PolarHBondContact O-N 3.37Å; D628-I632 WeakPolarHBondContact O-CG1 3.36Å; D628-I632 PolarHBondContact O-N 3.46Å
629	W	96.6	Very high	95.3	Very high	13 Å²	13	41.1 Å²	41.1	5%	0.049	23%	0.225	C	C	.	.	H	α-helix	trans	-64.4	-32.6	177.2	74.7	-93	0	0	0	112.4	E360 C364 E627 I632 R633 I648 V651	E360-W629 HydrophobicContact CB-CB 4.45Å; C364-W629 HydrophobicContact CB-CB 4.42Å; E627-W629 PolarHBondContact O-N 2.98Å; E627-W629 PolarHBondContact OE2-NE1 2.72Å; W629-I632 PolarHBondContact O-N 3.26Å; W629-R633 HydrophobicContact CE3-CB 4.48Å; W629-R633 WeakPolarHBondContact O-CB 3.35Å; W629-R633 PolarHBondContact O-N 3.16Å; W629-I648 HydrophobicContact CZ2-CB 4.06Å; W629-V651 HydrophobicContact CD2-CG2 4.35Å; W629-V651 HydrophobicContact CE3-CG2 3.85Å; W629-V651 HydrophobicContact CZ3-CG2 4.18Å
630	R	96.6	Very high	95.1	Very high	126 Å²	126	42.9 Å²	42.9	48%	0.475	25%	0.248	S	C	.	.	H	α-helix	trans	-69.5	-37.6	178.1	-63.1	-170.9	-162.3	-162.4	5.3	111.6	E627 D628 I632 R633 A634	E627-R630 HydrophobicContact CB-CB 4.43Å; E627-R630 HydrophobicContact CB-CG 4.03Å; E627-R630 WeakPolarHBondContact O-CB 3.38Å; E627-R630 PolarHBondContact O-N 3.27Å; E627-R630 VanDerWaalsContact O-N 3.08Å; E627-R630 IonicContact OE1-NH2 2.72Å; E627-R630 PolarHBondContact OE1-NH2 3.42Å; E627-R630 IonicContact OE2-CZ 2.81Å; E627-R630 VanDerWaalsContact OE2-CZ 3.31Å; E627-R630 IonicContact OE2-NE 3.78Å; E627-R630 PolarHBondContact OE2-NE 3.4Å; E627-R630 IonicContact OE2-NH2 2.77Å; E627-R630 PolarHBondContact OE2-NH2 3.47Å; D628-R630 VanDerWaalsContact C-N 3.29Å; D628-R630 PolarHBondContact O-N 2.74Å; R630-I632 VanDerWaalsContact C-N 3.35Å; R630-R633 PolarHBondContact O-N 3.12Å; R630-A634 WeakPolarHBondContact O-CB 3.43Å; R630-A634 PolarHBondContact O-N 3.41Å
631	I	96.8	Very high	95	Very high	3 Å²	3	43.3 Å²	43.3	2%	0.015	24%	0.238	C	C	.	.	H	α-helix	trans	-60.2	-49.7	175	-63.7	169.2	0	0	0	109.1	W330 Q578 L593 P594 R626 E627 D628 R633 A634 V635	W330-I631 HydrophobicContact CH2-CB 4.44Å; W330-I631 HydrophobicContact CH2-CD1 3.75Å; W330-I631 HydrophobicContact CH2-CG1 3.63Å; W330-I631 HydrophobicContact CH2-CG2 4.04Å; W330-I631 HydrophobicContact CZ2-CD1 4.38Å; W330-I631 HydrophobicContact CZ2-CG1 4.36Å; W330-I631 HydrophobicContact CZ3-CG1 4.22Å; W330-I631 HydrophobicContact CZ3-CG2 3.98Å; Q578-I631 HydrophobicContact CG-CD1 4.22Å; Q578-I631 HydrophobicContact CG-CG2 4.43Å; L593-I631 HydrophobicContact CB-CG2 4.14Å; L593-I631 HydrophobicContact CD1-CG2 3.84Å; P594-I631 WeakPolarHBondContact O-CD1 3.4Å; R626-I631 HydrophobicContact CB-CD1 4.15Å; R626-I631 HydrophobicContact CB-CG1 3.83Å; R626-I631 WeakPolarHBondContact O-CD1 3.41Å; E627-I631 PolarHBondContact O-N 3.25Å; D628-I631 PolarHBondContact O-N 3.37Å; I631-R633 PolarHBondContact O-N 2.86Å; I631-A634 PolarHBondContact O-N 3.26Å; I631-V635 HydrophobicContact CG2-CG2 4.43Å; I631-V635 VanDerWaalsContact O-CG2 3.29Å; I631-V635 WeakPolarHBondContact O-CG2 3.23Å; I631-V635 PolarHBondContact O-N 3.35Å
632	I	97	Very high	95	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.005	25%	0.245	C	C	.	.	H	α-helix	trans	-62.5	-43.7	179.4	-61.8	159.2	0	0	0	110.9	A361 C364 L365 F368 L556 D628 W629 R630 A634 V635 S636 L643	A361-I632 HydrophobicContact CB-CD1 4.2Å; A361-I632 WeakPolarHBondContact O-CD1 3.42Å; C364-I632 HydrophobicContact CB-CB 4.18Å; C364-I632 HydrophobicContact CB-CD1 4.21Å; C364-I632 HydrophobicContact CB-CG2 3.92Å; L365-I632 HydrophobicContact CB-CD1 3.98Å; F368-I632 HydrophobicContact CB-CG2 4.19Å; L556-I632 HydrophobicContact CD1-CD1 4.48Å; L556-I632 HydrophobicContact CD2-CD1 4.18Å; D628-I632 WeakPolarHBondContact O-CG1 3.36Å; D628-I632 PolarHBondContact O-N 3.46Å; W629-I632 PolarHBondContact O-N 3.26Å; R630-I632 VanDerWaalsContact C-N 3.35Å; I632-A634 PolarHBondContact O-N 2.86Å; I632-V635 PolarHBondContact O-N 3.46Å; I632-S636 WeakPolarHBondContact O-CB 3.37Å; I632-S636 PolarHBondContact O-N 2.81Å; I632-L643 HydrophobicContact CG2-CD1 4.21Å
633	R	96.6	Very high	95.1	Very high	33 Å²	33	42.7 Å²	42.7	13%	0.125	23%	0.234	C	C	.	.	H	α-helix	trans	-59.5	-43.2	175.5	176.2	59.2	-175.3	72.7	4.2	112.2	W629 R630 I631 S636 E637 L643 Y645 D646	W629-R633 HydrophobicContact CE3-CB 4.48Å; W629-R633 WeakPolarHBondContact O-CB 3.35Å; W629-R633 PolarHBondContact O-N 3.16Å; R630-R633 PolarHBondContact O-N 3.12Å; I631-R633 PolarHBondContact O-N 2.86Å; R633-S636 PolarHBondContact O-N 2.83Å; R633-S636 PolarHBondContact O-OG 3.44Å; R633-E637 IonicContact CZ-OE2 3.57Å; R633-E637 IonicContact NH1-OE2 3.49Å; R633-E637 PolarHBondContact NH1-OE2 2.93Å; R633-E637 IonicContact NH2-OE2 2.79Å; R633-E637 PolarHBondContact O-N 3.19Å; R633-L643 PolarHBondContact NE-O 2.95Å; R633-Y645 VanDerWaalsContact CD-O 3.22Å; R633-Y645 WeakPolarHBondContact CD-O 3.45Å; R633-Y645 PolarHBondContact NE-O 3.19Å; R633-D646 IonicContact CZ-OD1 3.53Å; R633-D646 IonicContact NE-OD1 3.35Å; R633-D646 PolarHBondContact NE-OD1 2.89Å; R633-D646 IonicContact NH2-OD1 3.62Å; R633-D646 PolarHBondContact NH2-OD1 2.81Å
634	A	96.3	Very high	95.2	Very high	35 Å²	35	44 Å²	44	29%	0.289	23%	0.231	S	C	.	.	H	α-helix	trans	-68.6	-39.8	176.9	0	0	0	0	0	112.4	L334 R630 I631 I632 S636 E637 A638	L334-A634 HydrophobicContact CD1-CB 4.31Å; L334-A634 HydrophobicContact CD2-CB 4.27Å; R630-A634 WeakPolarHBondContact O-CB 3.43Å; R630-A634 PolarHBondContact O-N 3.41Å; I631-A634 PolarHBondContact O-N 3.26Å; I632-A634 PolarHBondContact O-N 2.86Å; A634-S636 VanDerWaalsContact C-N 3.33Å; A634-S636 PolarHBondContact O-N 2.77Å; A634-E637 PolarHBondContact O-N 3.02Å; A634-A638 WeakPolarHBondContact O-CB 3.49Å; A634-A638 PolarHBondContact O-N 3.44Å
635	V	95.6	Very high	95.2	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-61.2	-43.2	173.3	171.4	0	0	0	0	110.4	L334 C337 F341 F368 L593 I631 I632 E637 A638 V639	L334-V635 HydrophobicContact CD2-CB 4.37Å; L334-V635 HydrophobicContact CD2-CG2 3.65Å; C337-V635 HydrophobicContact CB-CG1 4.46Å; F341-V635 HydrophobicContact CE2-CG1 4.18Å; F368-V635 HydrophobicContact CE1-CG1 4.13Å; F368-V635 HydrophobicContact CZ-CG1 4.03Å; L593-V635 HydrophobicContact CD1-CG2 4.2Å; I631-V635 HydrophobicContact CG2-CG2 4.43Å; I631-V635 VanDerWaalsContact O-CG2 3.29Å; I631-V635 WeakPolarHBondContact O-CG2 3.23Å; I631-V635 PolarHBondContact O-N 3.35Å; I632-V635 PolarHBondContact O-N 3.46Å; V635-E637 VanDerWaalsContact C-N 3.28Å; V635-E637 PolarHBondContact O-N 2.72Å; V635-A638 PolarHBondContact O-N 3.22Å; V635-V639 HydrophobicContact CG1-CG2 4.22Å; V635-V639 WeakPolarHBondContact O-CB 3.3Å; V635-V639 VanDerWaalsContact O-CG2 3.25Å; V635-V639 WeakPolarHBondContact O-CG2 3.42Å; V635-V639 PolarHBondContact O-N 2.67Å
636	S	95.7	Very high	95.1	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-60.1	-38.7	179	79	0	0	0	0	112.8	F368 I632 R633 A634 G640 R641 L643	F368-S636 VanDerWaalsContact CD2-CB 3.49Å; I632-S636 WeakPolarHBondContact O-CB 3.37Å; I632-S636 PolarHBondContact O-N 2.81Å; R633-S636 PolarHBondContact O-N 2.83Å; R633-S636 PolarHBondContact O-OG 3.44Å; A634-S636 VanDerWaalsContact C-N 3.33Å; A634-S636 PolarHBondContact O-N 2.77Å; S636-G640 PolarHBondContact O-N 3.31Å; S636-R641 CarbonylContact O-C 3.56Å; S636-R641 PolarHBondContact O-N 3Å; S636-L643 PolarHBondContact OG-N 3.16Å; S636-L643 VanDerWaalsContact OG-N 3.12Å
637	E	95.5	Very high	95.1	Very high	117 Å²	117	43.3 Å²	43.3	55%	0.547	24%	0.239	S	C	.	.	H	α-helix	trans	-70.6	-45.5	176.8	-170	171.5	163.7	0	0	111.7	R633 A634 V635 V639 G640 P642	R633-E637 IonicContact CZ-OE2 3.57Å; R633-E637 IonicContact NH1-OE2 3.49Å; R633-E637 PolarHBondContact NH1-OE2 2.93Å; R633-E637 IonicContact NH2-OE2 2.79Å; R633-E637 PolarHBondContact O-N 3.19Å; A634-E637 PolarHBondContact O-N 3.02Å; V635-E637 VanDerWaalsContact C-N 3.28Å; V635-E637 PolarHBondContact O-N 2.72Å; E637-V639 VanDerWaalsContact C-N 3.27Å; E637-V639 PolarHBondContact O-N 3.14Å; E637-G640 WeakPolarHBondContact O-CA 3.28Å; E637-G640 PolarHBondContact O-N 3.27Å; E637-P642 HydrophobicContact CB-CB 4.4Å
638	A	94.4	Very high	95	Very high	30 Å²	30	42.3 Å²	42.3	25%	0.248	24%	0.235	C	C	.	.	H	α-helix	trans	-60.9	-36.4	177.9	0	0	0	0	0	112.5	L334 N338 A634 V635 G640	L334-A638 HydrophobicContact CB-CB 3.95Å; L334-A638 HydrophobicContact CD2-CB 4.32Å; N338-A638 WeakPolarHBondContact CB-O 3.24Å; N338-A638 PolarHBondContact ND2-O 3.1Å; N338-A638 PolarHBondContact OD1-O 3.21Å; A634-A638 WeakPolarHBondContact O-CB 3.49Å; A634-A638 PolarHBondContact O-N 3.44Å; V635-A638 PolarHBondContact O-N 3.22Å; A638-G640 PolarHBondContact O-N 3.27Å
639	V	92.7	Very high	95	Very high	20 Å²	20	47.1 Å²	47.1	12%	0.121	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-12.6	176.6	174.6	0	0	0	0	112.2	F341 F368 L372 V635 E637	F341-V639 HydrophobicContact CB-CB 4.48Å; F341-V639 HydrophobicContact CB-CG1 3.72Å; F341-V639 HydrophobicContact CB-CG2 3.85Å; F341-V639 HydrophobicContact CD2-CG2 3.55Å; F341-V639 HydrophobicContact CE2-CG2 4.32Å; F341-V639 HydrophobicContact CG-CG1 4.19Å; F341-V639 HydrophobicContact CG-CG2 3.82Å; F368-V639 HydrophobicContact CE2-CB 4.38Å; F368-V639 HydrophobicContact CE2-CG1 4.45Å; F368-V639 HydrophobicContact CZ-CB 4.42Å; F368-V639 HydrophobicContact CZ-CG1 4.49Å; F368-V639 HydrophobicContact CZ-CG2 4.22Å; L372-V639 HydrophobicContact CD2-CG1 4.21Å; V635-V639 HydrophobicContact CG1-CG2 4.22Å; V635-V639 WeakPolarHBondContact O-CB 3.3Å; V635-V639 VanDerWaalsContact O-CG2 3.25Å; V635-V639 WeakPolarHBondContact O-CG2 3.42Å; V635-V639 PolarHBondContact O-N 2.67Å; E637-V639 VanDerWaalsContact C-N 3.27Å; E637-V639 PolarHBondContact O-N 3.14Å
640	G	91.6	Very high	94.9	Very high	59 Å²	59	50.1 Å²	50.1	61%	0.608	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	86	16.5	178.6	0	0	0	0	0	114.5	S636 E637 A638 P642	S636-G640 PolarHBondContact O-N 3.31Å; E637-G640 WeakPolarHBondContact O-CA 3.28Å; E637-G640 PolarHBondContact O-N 3.27Å; A638-G640 PolarHBondContact O-N 3.27Å; G640-P642 VanDerWaalsContact C-CD 3.5Å
641	R	91.8	Very high	94.9	Very high	118 Å²	118	44.1 Å²	44.1	45%	0.445	25%	0.251	S	S	.	.			trans	-125.6	64.9	172.2	-61.9	-165.2	-169.3	-173.8	6.7	109.8	R371 L372 S636 L643	R371-R641 WeakPolarHBondContact O-CD 3.5Å; R371-R641 PolarHBondContact O-NH1 3.33Å; L372-R641 VanDerWaalsContact CA-NH1 3.3Å; L372-R641 PolarHBondContact O-NH1 2.69Å; S636-R641 CarbonylContact O-C 3.56Å; S636-R641 PolarHBondContact O-N 3Å; R641-L643 PolarHBondContact O-N 3.47Å
642	P	93.3	Very high	94.9	Very high	59 Å²	59	45 Å²	45	38%	0.383	26%	0.255	S	S	.	.			trans	-60.6	138.3	-172.2	26.5	-35.2	0	0	0	111.2	R371 E637 G640	R371-P642 PolarHBondContact NH1-O 2.72Å; E637-P642 HydrophobicContact CB-CB 4.4Å; G640-P642 VanDerWaalsContact C-CD 3.5Å
643	L	95.9	Very high	94.9	Very high	4 Å²	4	47.5 Å²	47.5	2%	0.021	28%	0.275	C	S	.	.			trans	-70.2	154	172.1	-69.6	164.1	0	0	0	111.2	C364 D367 F368 I632 R633 S636 R641 Y645	C364-L643 HydrophobicContact CB-CD1 4.39Å; D367-L643 HydrophobicContact CB-CD2 3.67Å; F368-L643 HydrophobicContact CB-CD1 4.17Å; F368-L643 HydrophobicContact CB-CD2 4.31Å; I632-L643 HydrophobicContact CG2-CD1 4.21Å; R633-L643 PolarHBondContact NE-O 2.95Å; S636-L643 PolarHBondContact OG-N 3.16Å; S636-L643 VanDerWaalsContact OG-N 3.12Å; R641-L643 PolarHBondContact O-N 3.47Å; L643-Y645 VanDerWaalsContact C-N 3.27Å; L643-Y645 HydrophobicContact CB-CD2 4.21Å; L643-Y645 HydrophobicContact CB-CE1 4.31Å; L643-Y645 HydrophobicContact CB-CE2 3.64Å; L643-Y645 HydrophobicContact CD1-CE2 3.79Å; L643-Y645 VanDerWaalsContact CD1-OH 3.26Å; L643-Y645 WeakPolarHBondContact CD1-OH 3.27Å; L643-Y645 WeakPolarHBondContact CD2-OH 3.33Å; L643-Y645 HydrophobicContact CG-CE2 4.22Å; L643-Y645 PolarHBondContact O-N 3.02Å
644	P	94.1	Very high	94.9	Very high	89 Å²	89	49.5 Å²	49.5	58%	0.578	28%	0.283	S	S	*	.	S	Bend	trans	-84.6	9.3	-168.1	36	-34.6	0	0	0	114.5	R371	R371-P644 VanDerWaalsContact NH2-CD 3.35Å
645	Y	94.8	Very high	94.9	Very high	5 Å²	5	47.9 Å²	47.9	2%	0.02	27%	0.269	C	S	.	.			trans	-126.1	143.6	-176.6	36.3	-105	0	0	0	111.1	C364 R633 L643 D650 V651 R654	C364-Y645 VanDerWaalsContact CA-OH 3.23Å; C364-Y645 WeakPolarHBondContact CA-OH 3.35Å; C364-Y645 HydrophobicContact CB-CE2 4.37Å; C364-Y645 WeakPolarHBondContact SG-CE2 3.41Å; C364-Y645 PolarHBondContact SG-OH 3.06Å; R633-Y645 VanDerWaalsContact CD-O 3.22Å; R633-Y645 WeakPolarHBondContact CD-O 3.45Å; R633-Y645 PolarHBondContact NE-O 3.19Å; L643-Y645 VanDerWaalsContact C-N 3.27Å; L643-Y645 HydrophobicContact CB-CD2 4.21Å; L643-Y645 HydrophobicContact CB-CE1 4.31Å; L643-Y645 HydrophobicContact CB-CE2 3.64Å; L643-Y645 HydrophobicContact CD1-CE2 3.79Å; L643-Y645 VanDerWaalsContact CD1-OH 3.26Å; L643-Y645 WeakPolarHBondContact CD1-OH 3.27Å; L643-Y645 WeakPolarHBondContact CD2-OH 3.33Å; L643-Y645 HydrophobicContact CG-CE2 4.22Å; L643-Y645 PolarHBondContact O-N 3.02Å; Y645-D650 VanDerWaalsContact CB-CB 3.41Å; Y645-V651 HydrophobicContact CD2-CG2 3.42Å; Y645-V651 VanDerWaalsContact CD2-CG2 3.42Å; Y645-V651 HydrophobicContact CE2-CG2 3.85Å; Y645-V651 HydrophobicContact CG-CG2 3.81Å; Y645-R654 HydrophobicContact CD1-CB 4.37Å; Y645-R654 HydrophobicContact CE1-CB 4.46Å; Y645-R654 HydrophobicContact CE1-CG 4.18Å
646	D	93.8	Very high	95	Very high	117 Å²	117	51.3 Å²	51.3	63%	0.626	29%	0.287	S	S	*	.			trans	-121.7	-17.8	-178.4	-65.7	-33.4	0	0	0	112.6	R633	R633-D646 IonicContact CZ-OD1 3.53Å; R633-D646 IonicContact NE-OD1 3.35Å; R633-D646 PolarHBondContact NE-OD1 2.89Å; R633-D646 IonicContact NH2-OD1 3.62Å; R633-D646 PolarHBondContact NH2-OD1 2.81Å
647	S	95.7	Very high	95	Very high	35 Å²	35	57.7 Å²	57.7	25%	0.245	32%	0.317	C	S	.	.	S	Bend	trans	-115.5	161.8	177	73.3	0	0	0	0	112.4	E649 D650 V651	S647-E649 WeakPolarHBondContact CB-OE2 3.41Å; S647-E649 PolarHBondContact O-N 3.29Å; S647-D650 WeakPolarHBondContact CB-OD2 3.31Å; S647-D650 PolarHBondContact N-OD2 2.99Å; S647-D650 PolarHBondContact O-N 2.77Å; S647-D650 PolarHBondContact OG-N 3Å; S647-D650 VanDerWaalsContact OG-N 3.16Å; S647-D650 PolarHBondContact OG-OD1 3.47Å; S647-D650 PolarHBondContact OG-OD2 2.82Å; S647-V651 WeakPolarHBondContact O-CG2 3.25Å; S647-V651 PolarHBondContact O-N 2.8Å
648	I	94.4	Very high	94.9	Very high	18 Å²	18	54.7 Å²	54.7	9%	0.092	30%	0.304	C	S	.	.	H	α-helix	trans	-67.6	-30.3	175.2	-169.7	168.5	0	0	0	111.4	E360 W602 W629 D650 V651 R652	E360-I648 HydrophobicContact CG-CG1 4.44Å; W602-I648 HydrophobicContact CB-CD1 4.47Å; W602-I648 WeakPolarHBondContact O-CD1 3.29Å; W629-I648 HydrophobicContact CZ2-CB 4.06Å; I648-D650 VanDerWaalsContact C-N 3.35Å; I648-V651 PolarHBondContact O-N 3.49Å; I648-R652 WeakPolarHBondContact O-CG 3.4Å; I648-R652 PolarHBondContact O-N 2.9Å
649	E	95.1	Very high	94.9	Very high	108 Å²	108	53.5 Å²	53.5	51%	0.505	29%	0.294	S	S	.	.	H	α-helix	trans	-63	-41.5	174.3	-66.8	72.6	-158.9	0	0	111.3	S647 R652 A653	S647-E649 WeakPolarHBondContact CB-OE2 3.41Å; S647-E649 PolarHBondContact O-N 3.29Å; E649-R652 PolarHBondContact O-N 3.29Å; E649-A653 PolarHBondContact O-N 2.94Å
650	D	96	Very high	94.9	Very high	76 Å²	76	55.4 Å²	55.4	41%	0.406	31%	0.307	S	S	.	.	H	α-helix	trans	-67	-40	176.7	-57.1	-40.1	0	0	0	111.5	Y645 S647 I648 R652 A653 R654	Y645-D650 VanDerWaalsContact CB-CB 3.41Å; S647-D650 WeakPolarHBondContact CB-OD2 3.31Å; S647-D650 PolarHBondContact N-OD2 2.99Å; S647-D650 PolarHBondContact O-N 2.77Å; S647-D650 PolarHBondContact OG-N 3Å; S647-D650 VanDerWaalsContact OG-N 3.16Å; S647-D650 PolarHBondContact OG-OD1 3.47Å; S647-D650 PolarHBondContact OG-OD2 2.82Å; I648-D650 VanDerWaalsContact C-N 3.35Å; D650-R652 VanDerWaalsContact C-N 3.3Å; D650-R652 PolarHBondContact O-N 3.12Å; D650-A653 WeakPolarHBondContact O-CB 3.45Å; D650-A653 PolarHBondContact O-N 3.38Å; D650-R654 PolarHBondContact O-N 3.41Å
651	V	96.4	Very high	95	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-60.8	-41.8	174	176.7	0	0	0	0	110.5	E360 W629 Y645 S647 I648 R654 M655	E360-V651 HydrophobicContact CB-CG1 3.87Å; E360-V651 HydrophobicContact CG-CG1 4.02Å; W629-V651 HydrophobicContact CD2-CG2 4.35Å; W629-V651 HydrophobicContact CE3-CG2 3.85Å; W629-V651 HydrophobicContact CZ3-CG2 4.18Å; Y645-V651 HydrophobicContact CD2-CG2 3.42Å; Y645-V651 VanDerWaalsContact CD2-CG2 3.42Å; Y645-V651 HydrophobicContact CE2-CG2 3.85Å; Y645-V651 HydrophobicContact CG-CG2 3.81Å; S647-V651 WeakPolarHBondContact O-CG2 3.25Å; S647-V651 PolarHBondContact O-N 2.8Å; I648-V651 PolarHBondContact O-N 3.49Å; V651-R654 CarbonylContact O-C 3.57Å; V651-R654 WeakPolarHBondContact O-CB 3.17Å; V651-R654 PolarHBondContact O-N 3.14Å; V651-M655 HydrophobicContact CG1-SD 4.4Å; V651-M655 WeakPolarHBondContact O-CG 3.27Å; V651-M655 PolarHBondContact O-N 3.36Å
652	R	96.6	Very high	95.1	Very high	22 Å²	22	48.6 Å²	48.6	8%	0.083	26%	0.264	C	S	.	.	H	α-helix	trans	-70.8	-33.3	177.4	-73.1	169.8	176	165.5	1.9	112.7	E360 W602 I648 E649 D650 R654 M655 N656 T663	E360-R652 HydrophobicContact CG-CG 4.37Å; E360-R652 IonicContact OE1-CZ 2.74Å; E360-R652 IonicContact OE1-NE 3.96Å; E360-R652 PolarHBondContact OE1-NE 3.25Å; E360-R652 IonicContact OE1-NH2 2.87Å; E360-R652 PolarHBondContact OE1-NH2 2.79Å; W602-R652 VanDerWaalsContact NE1-NH2 3.18Å; W602-R652 PolarHBondContact O-NH2 3.21Å; I648-R652 WeakPolarHBondContact O-CG 3.4Å; I648-R652 PolarHBondContact O-N 2.9Å; E649-R652 PolarHBondContact O-N 3.29Å; D650-R652 VanDerWaalsContact C-N 3.3Å; D650-R652 PolarHBondContact O-N 3.12Å; R652-R654 VanDerWaalsContact C-N 3.29Å; R652-M655 HydrophobicContact CG-SD 4.04Å; R652-M655 WeakPolarHBondContact O-CB 3.09Å; R652-M655 PolarHBondContact O-N 3.43Å; R652-N656 WeakPolarHBondContact O-CB 3.48Å; R652-N656 PolarHBondContact O-N 3.13Å; R652-T663 HydrophobicContact CB-CG2 4.38Å; R652-T663 WeakPolarHBondContact O-CG2 3.25Å
653	A	96.8	Very high	95.2	Very high	52 Å²	52	47.4 Å²	47.4	43%	0.43	26%	0.256	S	S	.	.	H	α-helix	trans	-61	-43.1	169.6	0	0	0	0	0	110.3	E649 D650 N656 E657	E649-A653 PolarHBondContact O-N 2.94Å; D650-A653 WeakPolarHBondContact O-CB 3.45Å; D650-A653 PolarHBondContact O-N 3.38Å; A653-N656 WeakPolarHBondContact O-CB 3.5Å; A653-N656 PolarHBondContact O-N 2.97Å; A653-N656 VanDerWaalsContact O-N 3.15Å; A653-E657 PolarHBondContact O-N 3.25Å
654	R	97	Very high	95.1	Very high	76 Å²	76	53.1 Å²	53.1	29%	0.287	28%	0.277	S	S	.	.	H	α-helix	trans	-63.6	-41.5	173.8	-179.9	58.8	179.4	151.2	8	112.9	V363 D367 Y645 D650 V651 R652 N656 E657 I658	V363-R654 HydrophobicContact CG1-CG 3.8Å; D367-R654 IonicContact OD1-CZ 2.63Å; D367-R654 IonicContact OD1-NE 3.16Å; D367-R654 IonicContact OD1-NH2 2.71Å; D367-R654 PolarHBondContact OD1-NH2 2.9Å; D367-R654 WeakPolarHBondContact OD2-CG 3.25Å; D367-R654 IonicContact OD2-CZ 3.8Å; D367-R654 IonicContact OD2-NE 3Å; D367-R654 PolarHBondContact OD2-NE 3.49Å; D367-R654 IonicContact OD2-NH2 3.74Å; Y645-R654 HydrophobicContact CD1-CB 4.37Å; Y645-R654 HydrophobicContact CE1-CB 4.46Å; Y645-R654 HydrophobicContact CE1-CG 4.18Å; D650-R654 PolarHBondContact O-N 3.41Å; V651-R654 CarbonylContact O-C 3.57Å; V651-R654 WeakPolarHBondContact O-CB 3.17Å; V651-R654 PolarHBondContact O-N 3.14Å; R652-R654 VanDerWaalsContact C-N 3.29Å; R654-N656 VanDerWaalsContact C-N 3.27Å; R654-N656 PolarHBondContact O-N 3.1Å; R654-E657 VanDerWaalsContact CD-OE2 3.32Å; R654-E657 WeakPolarHBondContact CD-OE2 3.08Å; R654-E657 IonicContact CZ-OE2 3.02Å; R654-E657 IonicContact NH1-OE2 3.31Å; R654-E657 PolarHBondContact NH1-OE2 3.19Å; R654-E657 WeakPolarHBondContact O-CB 3.19Å; R654-E657 PolarHBondContact O-N 3.04Å; R654-I658 HydrophobicContact CG-CD1 4.36Å; R654-I658 WeakPolarHBondContact O-CG1 3.41Å; R654-I658 PolarHBondContact O-N 2.7Å
655	M	96.6	Very high	95	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-58.2	-41.4	171.9	-70.8	165.9	61.7	0	0	111.3	A359 E360 V363 T604 V651 R652 E657 I658 A659 L662 T663	A359-M655 HydrophobicContact CB-CE 3.58Å; E360-M655 HydrophobicContact CB-SD 4.26Å; E360-M655 HydrophobicContact CG-SD 3.65Å; V363-M655 HydrophobicContact CB-CG 4.1Å; V363-M655 HydrophobicContact CG1-CG 4.36Å; V363-M655 HydrophobicContact CG2-CG 3.67Å; T604-M655 HydrophobicContact CG2-CE 4.11Å; V651-M655 HydrophobicContact CG1-SD 4.4Å; V651-M655 WeakPolarHBondContact O-CG 3.27Å; V651-M655 PolarHBondContact O-N 3.36Å; R652-M655 HydrophobicContact CG-SD 4.04Å; R652-M655 WeakPolarHBondContact O-CB 3.09Å; R652-M655 PolarHBondContact O-N 3.43Å; M655-E657 VanDerWaalsContact C-N 3.32Å; M655-E657 PolarHBondContact O-N 3.25Å; M655-I658 PolarHBondContact O-N 3.5Å; M655-A659 CarbonylContact O-C 3.59Å; M655-A659 PolarHBondContact O-N 3.33Å; M655-L662 HydrophobicContact CB-CD1 4.42Å; M655-L662 HydrophobicContact CE-CB 3.87Å; M655-L662 HydrophobicContact CE-CD1 4.17Å; M655-T663 HydrophobicContact CB-CG2 4.47Å
656	N	96	Very high	94.5	Very high	72 Å²	72	54.5 Å²	54.5	39%	0.385	29%	0.286	S	S	.	.	H	α-helix	trans	-65.7	-32.3	178.2	-175.1	67.1	0	0	0	113	R652 A653 R654 P660 T663	R652-N656 WeakPolarHBondContact O-CB 3.48Å; R652-N656 PolarHBondContact O-N 3.13Å; A653-N656 WeakPolarHBondContact O-CB 3.5Å; A653-N656 PolarHBondContact O-N 2.97Å; A653-N656 VanDerWaalsContact O-N 3.15Å; R654-N656 VanDerWaalsContact C-N 3.27Å; R654-N656 PolarHBondContact O-N 3.1Å; N656-P660 WeakPolarHBondContact O-CA 3.44Å; N656-P660 WeakPolarHBondContact OD1-CA 3.47Å; N656-T663 HydrophobicContact CB-CG2 3.91Å; N656-T663 PolarHBondContact OD1-OG1 3.24Å; N656-T663 VanDerWaalsContact OD1-OG1 3.11Å
657	E	96.1	Very high	94.2	Very high	135 Å²	135	51.2 Å²	51.2	63%	0.631	27%	0.273	S	S	*	.	H	α-helix	trans	-67.3	-39.1	172.7	-67.9	173.4	179.8	0	0	112.5	A653 R654 M655	A653-E657 PolarHBondContact O-N 3.25Å; R654-E657 VanDerWaalsContact CD-OE2 3.32Å; R654-E657 WeakPolarHBondContact CD-OE2 3.08Å; R654-E657 IonicContact CZ-OE2 3.02Å; R654-E657 IonicContact NH1-OE2 3.31Å; R654-E657 PolarHBondContact NH1-OE2 3.19Å; R654-E657 WeakPolarHBondContact O-CB 3.19Å; R654-E657 PolarHBondContact O-N 3.04Å; M655-E657 VanDerWaalsContact C-N 3.32Å; M655-E657 PolarHBondContact O-N 3.25Å
658	I	94.4	Very high	93.9	Very high	54 Å²	54	53 Å²	53	28%	0.277	27%	0.274	S	S	.	.	H	α-helix	trans	-75.8	-51.9	-179.5	-63.1	168.5	0	0	0	110.3	V363 R654 M655	V363-I658 HydrophobicContact CB-CD1 4.46Å; V363-I658 HydrophobicContact CG1-CD1 3.69Å; V363-I658 HydrophobicContact CG2-CD1 4Å; R654-I658 HydrophobicContact CG-CD1 4.36Å; R654-I658 WeakPolarHBondContact O-CG1 3.41Å; R654-I658 PolarHBondContact O-N 2.7Å; M655-I658 PolarHBondContact O-N 3.5Å
659	A	93.5	Very high	93.7	Very high	4 Å²	4	55.1 Å²	55.1	3%	0.033	28%	0.284	C	S	.	.			trans	-146.4	91.4	-171.5	0	0	0	0	0	109.4	M655 H661 L662	M655-A659 CarbonylContact O-C 3.59Å; M655-A659 PolarHBondContact O-N 3.33Å; A659-H661 PolarHBondContact O-N 2.93Å; A659-L662 HydrophobicContact CB-CD1 3.69Å; A659-L662 HydrophobicContact CB-CG 3.79Å; A659-L662 WeakPolarHBondContact O-CB 3.5Å; A659-L662 WeakPolarHBondContact O-CG 3.5Å; A659-L662 PolarHBondContact O-N 3.4Å
660	P	94	Very high	93.2	Very high	61 Å²	61	60.1 Å²	60.1	40%	0.396	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-14.1	-170.2	24.9	-35.2	0	0	0	114.6	N656 T663	N656-P660 WeakPolarHBondContact O-CA 3.44Å; N656-P660 WeakPolarHBondContact OD1-CA 3.47Å; P660-T663 PolarHBondContact O-OG1 3.03Å
661	H	93	Very high	92.8	Very high	33 Å²	33	57 Å²	57	15%	0.153	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-21.2	175.3	60.1	-88.5	0	0	0	113.2	R393 D535 A659 T663 R664 E669	R393-H661 PolarHBondContact NE-NE2 3.2Å; R393-H661 PolarHBondContact NH2-CD2 3.12Å; D535-H661 IonicContact OD1-CE1 3.42Å; D535-H661 IonicContact OD1-NE2 2.82Å; D535-H661 PolarHBondContact OD1-NE2 3.02Å; D535-H661 IonicContact OD2-CD2 3.22Å; D535-H661 IonicContact OD2-NE2 2.66Å; D535-H661 PolarHBondContact OD2-NE2 2.95Å; A659-H661 PolarHBondContact O-N 2.93Å; H661-T663 PolarHBondContact O-N 2.92Å; H661-R664 PolarHBondContact O-N 3.21Å; H661-E669 HydrophobicContact CB-CB 4.26Å; H661-E669 HydrophobicContact CB-CG 3.66Å
662	L	94.3	Very high	92.3	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-24.8	-179.2	-65.1	-179.8	0	0	0	113	D535 V536 T604 V606 A612 M655 A659 Y665	D535-L662 HydrophobicContact CB-CD2 4.1Å; V536-L662 HydrophobicContact CG2-CD1 3.93Å; T604-L662 WeakPolarHBondContact CG2-O 3.42Å; V606-L662 HydrophobicContact CG2-CD2 3.48Å; V606-L662 VanDerWaalsContact CG2-CD2 3.48Å; A612-L662 WeakPolarHBondContact CB-O 3.3Å; M655-L662 HydrophobicContact CB-CD1 4.42Å; M655-L662 HydrophobicContact CE-CB 3.87Å; M655-L662 HydrophobicContact CE-CD1 4.17Å; A659-L662 HydrophobicContact CB-CD1 3.69Å; A659-L662 HydrophobicContact CB-CG 3.79Å; A659-L662 WeakPolarHBondContact O-CB 3.5Å; A659-L662 WeakPolarHBondContact O-CG 3.5Å; A659-L662 PolarHBondContact O-N 3.4Å; L662-Y665 VanDerWaalsContact O-CE1 3.29Å; L662-Y665 WeakPolarHBondContact O-CE1 3.45Å
663	T	94.1	Very high	91.7	Very high	34 Å²	34	67 Å²	67	21%	0.209	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99	-1.1	-179.3	57.6	0	0	0	0	113.5	R652 M655 N656 P660 H661 Y665	R652-T663 HydrophobicContact CB-CG2 4.38Å; R652-T663 WeakPolarHBondContact O-CG2 3.25Å; M655-T663 HydrophobicContact CB-CG2 4.47Å; N656-T663 HydrophobicContact CB-CG2 3.91Å; N656-T663 PolarHBondContact OD1-OG1 3.24Å; N656-T663 VanDerWaalsContact OD1-OG1 3.11Å; P660-T663 PolarHBondContact O-OG1 3.03Å; H661-T663 PolarHBondContact O-N 2.92Å; T663-Y665 WeakPolarHBondContact O-CD2 3.27Å; T663-Y665 WeakPolarHBondContact O-CE2 3.21Å; T663-Y665 PolarHBondContact O-N 3.19Å
664	R	93.9	Very high	91	Very high	125 Å²	125	67.2 Å²	67.2	47%	0.472	32%	0.321	S	S	.	.	S	Bend	trans	-94.9	69.8	-179.8	-65.6	-179.1	-176.4	-177.4	2.1	111.3	H661 S667 E669	H661-R664 PolarHBondContact O-N 3.21Å; R664-S667 PolarHBondContact O-N 3.38Å; R664-S667 PolarHBondContact O-OG 3.34Å; R664-E669 WeakPolarHBondContact CD-OE1 3.46Å; R664-E669 IonicContact CZ-OE1 3.31Å; R664-E669 IonicContact NE-OE1 2.82Å; R664-E669 IonicContact NH1-OE1 2.97Å; R664-E669 PolarHBondContact NH1-OE1 3.3Å; R664-E669 IonicContact NH1-OE2 2.64Å
665	Y	93.1	Very high	90.2	Very high	74 Å²	74	65.7 Å²	65.7	29%	0.29	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	142	-171.4	-49.4	-63.5	0	0	0	113.4	T604 A612 Q614 L662 T663 S667	T604-Y665 HydrophobicContact CG2-CD1 4.46Å; T604-Y665 HydrophobicContact CG2-CE1 3.72Å; T604-Y665 PolarHBondContact OG1-OH 2.92Å; A612-Y665 HydrophobicContact CB-CD1 4.19Å; A612-Y665 WeakPolarHBondContact O-CA 3.25Å; Q614-Y665 VanDerWaalsContact CD-CD2 3.5Å; Q614-Y665 HydrophobicContact CG-CD1 3.28Å; Q614-Y665 HydrophobicContact CG-CD2 3.94Å; Q614-Y665 HydrophobicContact CG-CE1 3.27Å; Q614-Y665 HydrophobicContact CG-CE2 3.96Å; Q614-Y665 HydrophobicContact CG-CG 3.61Å; Q614-Y665 PolarHBondContact NE2-OH 2.97Å; Q614-Y665 VanDerWaalsContact NE2-OH 3.08Å; L662-Y665 VanDerWaalsContact O-CE1 3.29Å; L662-Y665 WeakPolarHBondContact O-CE1 3.45Å; T663-Y665 WeakPolarHBondContact O-CD2 3.27Å; T663-Y665 WeakPolarHBondContact O-CE2 3.21Å; T663-Y665 PolarHBondContact O-N 3.19Å; Y665-S667 PolarHBondContact O-N 3.47Å; Y665-S667 VanDerWaalsContact O-N 3.12Å
666	G	84.4	Confident	89.5	Confident	48 Å²	48	70.4 Å²	70.4	50%	0.495	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.7	-2.5	176.2	0	0	0	0	0	114.3	R611 A612	R611-G666 PolarHBondContact NH1-O 3.32Å; A612-G666 PolarHBondContact O-N 3.19Å
667	S	86.2	Confident	88.9	Confident	48 Å²	48	67 Å²	67	34%	0.336	33%	0.333	S	S	.	.			trans	-107.6	136.3	173.6	69	0	0	0	0	110.8	R664 Y665	R664-S667 PolarHBondContact O-N 3.38Å; R664-S667 PolarHBondContact O-OG 3.34Å; Y665-S667 PolarHBondContact O-N 3.47Å; Y665-S667 VanDerWaalsContact O-N 3.12Å
668	R	89.6	Confident	88.2	Confident	74 Å²	74	61 Å²	61	28%	0.279	31%	0.306	S	S	.	.	B	Isolated β-bridge	trans	-91.5	114.3	172	-172.6	-168.8	68.1	152.8	-2.1	109.4	N399 S401 E609	N399-R668 PolarHBondContact O-NH1 2.94Å; S401-R668 VanDerWaalsContact CA-NH1 3.34Å; E609-R668 WeakPolarHBondContact O-CG 3.06Å
669	E	90.3	Very high	87.5	Confident	62 Å²	62	61.9 Å²	61.9	29%	0.29	32%	0.316	S	S	.	.	P	Polyproline II helix	trans	-74.4	135.1	175.8	-69.2	-65.6	170.7	0	0	111.2	H661 R664	H661-E669 HydrophobicContact CB-CB 4.26Å; H661-E669 HydrophobicContact CB-CG 3.66Å; R664-E669 WeakPolarHBondContact CD-OE1 3.46Å; R664-E669 IonicContact CZ-OE1 3.31Å; R664-E669 IonicContact NE-OE1 2.82Å; R664-E669 IonicContact NH1-OE1 2.97Å; R664-E669 PolarHBondContact NH1-OE1 3.3Å; R664-E669 IonicContact NH1-OE2 2.64Å
670	R	85	Confident	87	Confident	213 Å²	213	66.5 Å²	66.5	80%	0.804	33%	0.334	S	S	*	.	P	Polyproline II helix	trans	-71.8	132.3	-176.6	-66.9	-178.3	-179.7	-178.1	-0.4	110.7
671	T	87.4	Confident	86.3	Confident	9 Å²	9	63.6 Å²	63.6	6%	0.055	32%	0.315	C	S	.	.	P	Polyproline II helix	trans	-83.4	139.1	171.9	55.4	0	0	0	0	111.4	R393 V397 N399 K519 H674	R393-T671 HydrophobicContact CG-CG2 4.41Å; V397-T671 HydrophobicContact CB-CG2 4.41Å; N399-T671 WeakPolarHBondContact OD1-CB 3.44Å; N399-T671 WeakPolarHBondContact OD1-CG2 3.41Å; N399-T671 PolarHBondContact OD1-OG1 3.12Å; K519-T671 PolarHBondContact NZ-O 3.27Å; T671-H674 PolarHBondContact O-NE2 3.47Å
672	M	85.5	Confident	85.4	Confident	116 Å²	116	64.5 Å²	64.5	57%	0.571	33%	0.325	S	S	*	.			trans	-126.9	178.3	-179.8	-62.7	-63.7	-75.2	0	0	109.4	A394	A394-M672 WeakPolarHBondContact CB-O 3.38Å
673	F	84.8	Confident	84.5	Confident	117 Å²	117	73.7 Å²	73.7	51%	0.513	36%	0.359	S	S	.	.			trans	69.6	28.2	173.2	-46.6	-69.6	0	0	0	117.1	F392 G675 E676 S677	F392-F673 HydrophobicContact CD1-CB 3.68Å; F392-F673 HydrophobicContact CD1-CD2 4.21Å; F392-F673 HydrophobicContact CD1-CG 4.2Å; F392-F673 HydrophobicContact CE1-CB 3.77Å; F392-F673 HydrophobicContact CE1-CD2 4.32Å; F392-F673 HydrophobicContact CE1-CG 4.08Å; F392-F673 HydrophobicContact CG-CB 4.49Å; F673-G675 PolarHBondContact O-N 3.09Å; F673-E676 WeakPolarHBondContact CA-OE2 3.47Å; F673-E676 HydrophobicContact CB-CB 4.5Å; F673-S677 WeakPolarHBondContact O-CB 3.4Å; F673-S677 PolarHBondContact O-N 3.02Å
674	H	82.1	Confident	83.4	Confident	56 Å²	56	72.9 Å²	72.9	26%	0.259	35%	0.353	S	S	.	.	H	α-helix	trans	-64.8	-38.3	178.1	-58.7	-84	0	0	0	112.9	A394 N399 K519 T671 A678	A394-H674 WeakPolarHBondContact CB-CE1 3.46Å; N399-H674 VanDerWaalsContact CG-CE1 3.48Å; N399-H674 PolarHBondContact OD1-CE1 2.8Å; K519-H674 WeakPolarHBondContact CD-NE2 3.35Å; K519-H674 WeakPolarHBondContact CE-NE2 3.26Å; K519-H674 PolarHBondContact NZ-CD2 2.91Å; K519-H674 PolarHBondContact NZ-NE2 3.49Å; T671-H674 PolarHBondContact O-NE2 3.47Å; H674-A678 VanDerWaalsContact O-CB 3.29Å; H674-A678 WeakPolarHBondContact O-CB 3.22Å; H674-A678 PolarHBondContact O-N 2.6Å
675	G	79.8	Confident	82.2	Confident	44 Å²	44	68 Å²	68	45%	0.454	34%	0.337	S	S	.	.	H	α-helix	trans	-70.8	-41.2	-177.6	0	0	0	0	0	112.1	F673 A678 C679	F673-G675 PolarHBondContact O-N 3.09Å; G675-A678 PolarHBondContact O-N 3.39Å; G675-C679 PolarHBondContact O-N 2.79Å; G675-C679 PolarHBondContact O-SG 3.4Å
676	E	83	Confident	80.9	Confident	99 Å²	99	71.5 Å²	71.5	46%	0.463	36%	0.36	S	S	.	.	H	α-helix	trans	-64.3	-48.9	176.2	-63.4	87	158.5	0	0	110.3	F673 A678 C679 Y680	F673-E676 WeakPolarHBondContact CA-OE2 3.47Å; F673-E676 HydrophobicContact CB-CB 4.5Å; E676-A678 VanDerWaalsContact C-N 3.35Å; E676-A678 PolarHBondContact O-N 2.8Å; E676-C679 WeakPolarHBondContact O-CB 3.42Å; E676-C679 PolarHBondContact O-N 3.18Å; E676-C679 VanDerWaalsContact O-N 3.15Å; E676-Y680 WeakPolarHBondContact O-CD2 3.26Å; E676-Y680 PolarHBondContact O-N 2.91Å
677	S	82.4	Confident	80.1	Confident	1 Å²	1	73.4 Å²	73.4	1%	0.007	37%	0.366	C	S	.	.	H	α-helix	trans	-58.3	-46.3	175.9	-176.7	0	0	0	0	112	N395 F673 C679 Y680 F681	N395-S677 PolarHBondContact ND2-OG 2.89Å; N395-S677 WeakPolarHBondContact OD1-CB 3.4Å; N395-S677 PolarHBondContact OD1-OG 3.35Å; F673-S677 WeakPolarHBondContact O-CB 3.4Å; F673-S677 PolarHBondContact O-N 3.02Å; S677-C679 VanDerWaalsContact C-N 3.27Å; S677-C679 PolarHBondContact O-N 2.77Å; S677-Y680 WeakPolarHBondContact O-CB 3.49Å; S677-Y680 PolarHBondContact O-N 3.18Å; S677-F681 WeakPolarHBondContact O-CD2 3.42Å; S677-F681 PolarHBondContact O-N 3.1Å; S677-F681 VanDerWaalsContact O-N 3.12Å
678	A	80.5	Confident	79.5	Confident	8 Å²	8	74.1 Å²	74.1	7%	0.066	36%	0.364	C	S	.	.	H	α-helix	trans	-60.3	-36.1	177.5	0	0	0	0	0	112.6	H674 G675 E676 Y680 F681 S682	H674-A678 VanDerWaalsContact O-CB 3.29Å; H674-A678 WeakPolarHBondContact O-CB 3.22Å; H674-A678 PolarHBondContact O-N 2.6Å; G675-A678 PolarHBondContact O-N 3.39Å; E676-A678 VanDerWaalsContact C-N 3.35Å; E676-A678 PolarHBondContact O-N 2.8Å; A678-Y680 VanDerWaalsContact C-N 3.33Å; A678-Y680 PolarHBondContact O-N 3.39Å; A678-F681 PolarHBondContact O-N 3.44Å; A678-S682 WeakPolarHBondContact O-CB 3.35Å; A678-S682 PolarHBondContact O-N 2.72Å
679	C	80.8	Confident	78.9	Confident	73 Å²	73	76.4 Å²	76.4	49%	0.493	39%	0.387	S	S	.	.	H	α-helix	trans	-60.2	-41.1	174	-71.8	0	0	0	0	112.1	G675 E676 S677 S682	G675-C679 PolarHBondContact O-N 2.79Å; G675-C679 PolarHBondContact O-SG 3.4Å; E676-C679 WeakPolarHBondContact O-CB 3.42Å; E676-C679 PolarHBondContact O-N 3.18Å; E676-C679 VanDerWaalsContact O-N 3.15Å; S677-C679 VanDerWaalsContact C-N 3.27Å; S677-C679 PolarHBondContact O-N 2.77Å; C679-S682 PolarHBondContact O-N 2.92Å; C679-S682 PolarHBondContact O-OG 2.72Å
680	Y	82.1	Confident	78.3	Confident	102 Å²	102	75.2 Å²	75.2	40%	0.4	38%	0.382	S	S	.	.	H	α-helix	trans	-66	-46	177.2	-74.1	-75.4	0	0	0	112.1	T388 F392 E676 S677 A678 S682 R683	T388-Y680 HydrophobicContact CG2-CD1 4Å; T388-Y680 HydrophobicContact CG2-CD2 3.85Å; T388-Y680 HydrophobicContact CG2-CE1 4.28Å; T388-Y680 HydrophobicContact CG2-CE2 4.17Å; T388-Y680 HydrophobicContact CG2-CG 3.78Å; F392-Y680 HydrophobicContact CE2-CD2 4.22Å; F392-Y680 HydrophobicContact CE2-CE2 4.26Å; E676-Y680 WeakPolarHBondContact O-CD2 3.26Å; E676-Y680 PolarHBondContact O-N 2.91Å; S677-Y680 WeakPolarHBondContact O-CB 3.49Å; S677-Y680 PolarHBondContact O-N 3.18Å; A678-Y680 VanDerWaalsContact C-N 3.33Å; A678-Y680 PolarHBondContact O-N 3.39Å; Y680-S682 VanDerWaalsContact C-N 3.3Å; Y680-S682 PolarHBondContact O-N 3.45Å; Y680-R683 PolarHBondContact O-N 2.92Å
681	F	79.4	Confident	78.2	Confident	0 Å²	0	68.1 Å²	68.1	0%	0	36%	0.359	C	S	.	.	H	α-helix	trans	-64.3	-34.3	176.8	-79.2	-69.8	0	0	0	113.1	Y501 A502 A505 S677 A678 R683 I684 I685	Y501-F681 AromaticContact CD1-CD1 3.79Å; Y501-F681 HydrophobicContact CD1-CD1 3.79Å; Y501-F681 HydrophobicContact CD1-CD2 4.15Å; Y501-F681 AromaticContact CD1-CE1 3.5Å; Y501-F681 HydrophobicContact CD1-CE1 3.5Å; Y501-F681 VanDerWaalsContact CD1-CE1 3.5Å; Y501-F681 AromaticContact CD1-CE2 3.89Å; Y501-F681 HydrophobicContact CD1-CE2 3.89Å; Y501-F681 HydrophobicContact CD1-CG 4.1Å; Y501-F681 AromaticContact CD1-CZ 3.54Å; Y501-F681 HydrophobicContact CD1-CZ 3.54Å; Y501-F681 HydrophobicContact CE1-CD1 4.25Å; Y501-F681 AromaticContact CE1-CD2 3.77Å; Y501-F681 HydrophobicContact CE1-CD2 3.77Å; Y501-F681 AromaticContact CE1-CE1 3.89Å; Y501-F681 HydrophobicContact CE1-CE1 3.89Å; Y501-F681 AromaticContact CE1-CE2 3.37Å; Y501-F681 HydrophobicContact CE1-CE2 3.37Å; Y501-F681 HydrophobicContact CE1-CG 4.19Å; Y501-F681 AromaticContact CE1-CZ 3.42Å; Y501-F681 HydrophobicContact CE1-CZ 3.42Å; Y501-F681 VanDerWaalsContact CE1-CZ 3.42Å; A502-F681 HydrophobicContact CB-CB 4.11Å; A502-F681 HydrophobicContact CB-CD1 4.16Å; A505-F681 HydrophobicContact CB-CB 4.19Å; A505-F681 HydrophobicContact CB-CD2 4.45Å; A505-F681 HydrophobicContact CB-CG 4.46Å; S677-F681 WeakPolarHBondContact O-CD2 3.42Å; S677-F681 PolarHBondContact O-N 3.1Å; S677-F681 VanDerWaalsContact O-N 3.12Å; A678-F681 PolarHBondContact O-N 3.44Å; F681-R683 PolarHBondContact O-N 2.99Å; F681-R683 VanDerWaalsContact O-N 3.1Å; F681-I684 HydrophobicContact CD1-CD1 4.16Å; F681-I684 WeakPolarHBondContact O-CB 3.44Å; F681-I684 PolarHBondContact O-N 3.5Å; F681-I685 PolarHBondContact O-N 2.95Å
682	S	73.8	Confident	77.9	Confident	52 Å²	52	73.3 Å²	73.3	36%	0.364	39%	0.391	S	S	.	.	H	α-helix	trans	-58.2	-27.5	178.8	77.3	0	0	0	0	113.4	A678 C679 Y680 I684	A678-S682 WeakPolarHBondContact O-CB 3.35Å; A678-S682 PolarHBondContact O-N 2.72Å; C679-S682 PolarHBondContact O-N 2.92Å; C679-S682 PolarHBondContact O-OG 2.72Å; Y680-S682 VanDerWaalsContact C-N 3.3Å; Y680-S682 PolarHBondContact O-N 3.45Å; S682-I684 VanDerWaalsContact C-N 3.34Å
683	R	75.5	Confident	77.9	Confident	192 Å²	192	72.3 Å²	72.3	73%	0.725	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-22.5	177.1	-62.2	177.4	-176.8	172.7	1.7	112.9	Y680 F681	Y680-R683 PolarHBondContact O-N 2.92Å; F681-R683 PolarHBondContact O-N 2.99Å; F681-R683 VanDerWaalsContact O-N 3.1Å
684	I	72.3	Confident	78.1	Confident	17 Å²	17	72.7 Å²	72.7	9%	0.087	39%	0.39	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-26.1	-177.5	-61.8	164.3	0	0	0	111.8	L386 A387 F681 S682 N686 S687	L386-I684 HydrophobicContact CB-CD1 3.89Å; A387-I684 HydrophobicContact CB-CD1 3.35Å; A387-I684 HydrophobicContact CB-CG1 4.41Å; F681-I684 HydrophobicContact CD1-CD1 4.16Å; F681-I684 WeakPolarHBondContact O-CB 3.44Å; F681-I684 PolarHBondContact O-N 3.5Å; S682-I684 VanDerWaalsContact C-N 3.34Å; I684-N686 PolarHBondContact O-N 3Å; I684-S687 PolarHBondContact O-N 3.4Å; I684-S687 PolarHBondContact O-OG 3.48Å
685	I	68.2	Low	78.4	Confident	24 Å²	24	70 Å²	70	12%	0.123	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.8	-36.7	-171.2	-64.2	173	0	0	0	113.1	A502 R506 F681	A502-I685 HydrophobicContact CB-CD1 4.4Å; A502-I685 HydrophobicContact CB-CG1 3.52Å; A502-I685 WeakPolarHBondContact O-CD1 3.13Å; R506-I685 HydrophobicContact CB-CD1 3.69Å; R506-I685 HydrophobicContact CG-CD1 4.16Å; F681-I685 PolarHBondContact O-N 2.95Å
686	N	66.1	Low	78.8	Confident	147 Å²	147	73 Å²	73	79%	0.786	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.3	-11.1	-177.4	-66.9	-20.6	0	0	0	114.1	I684	I684-N686 PolarHBondContact O-N 3Å
687	S	68.1	Low	78.8	Confident	88 Å²	88	68.2 Å²	68.2	62%	0.615	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.6	-13.1	-175	68.1	0	0	0	0	113.8	I684	I684-S687 PolarHBondContact O-N 3.4Å; I684-S687 PolarHBondContact O-OG 3.48Å
688	Q	72.1	Confident	78.8	Confident	62 Å²	62	70.6 Å²	70.6	29%	0.29	37%	0.371	S	S	.	.	S	Bend	trans	-125.8	135.1	-176.1	-67.9	-169	-11.5	0	0	112.6	A499	A499-Q688 HydrophobicContact CB-CB 3.85Å
689	T	77.2	Confident	79.1	Confident	123 Å²	123	71.5 Å²	71.5	76%	0.755	38%	0.377	S	S	*	.	P	Polyproline II helix	trans	-79.3	127.1	172	37.8	0	0	0	0	110.6
690	I	78.5	Confident	79.4	Confident	37 Å²	37	72 Å²	72	19%	0.19	37%	0.371	C	S	.	.	P	Polyproline II helix	trans	-73.6	130.3	169.7	-63.8	170.5	0	0	0	108.3	P460 R464 A499 L500	P460-I690 HydrophobicContact CB-CG2 3.43Å; P460-I690 VanDerWaalsContact CB-CG2 3.43Å; P460-I690 HydrophobicContact CG-CG2 4.48Å; R464-I690 HydrophobicContact CB-CD1 3.91Å; R464-I690 HydrophobicContact CG-CD1 4.39Å; A499-I690 HydrophobicContact CB-CG1 4.02Å; L500-I690 HydrophobicContact CD2-CD1 4.44Å; L500-I690 HydrophobicContact CD2-CG1 4.32Å; L500-I690 HydrophobicContact CD2-CG2 3.87Å
691	L	82.2	Confident	79.8	Confident	63 Å²	63	69.7 Å²	69.7	33%	0.33	37%	0.367	S	S	.	.	P	Polyproline II helix	trans	-75.3	152.6	178.8	-63.4	170.8	0	0	0	110.2	P460 P495 D496 D693	P460-L691 WeakPolarHBondContact CG-O 3.37Å; P495-L691 HydrophobicContact CB-CD1 3.83Å; P495-L691 HydrophobicContact CG-CD1 3.62Å; D496-L691 HydrophobicContact CB-CD1 4.21Å; D496-L691 HydrophobicContact CB-CG 4.06Å; D496-L691 WeakPolarHBondContact OD2-CB 3.16Å; D496-L691 PolarHBondContact OD2-N 3.06Å; L691-D693 VanDerWaalsContact C-N 3.26Å; L691-D693 PolarHBondContact O-N 3.12Å
692	T	82.3	Confident	80.3	Confident	118 Å²	118	70.2 Å²	70.2	72%	0.724	37%	0.37	S	S	*	.			trans	-77.8	-11.4	179.1	49.2	0	0	0	0	113.5	K694	T692-K694 PolarHBondContact O-N 3.45Å
693	D	84.7	Confident	81.2	Confident	95 Å²	95	68.3 Å²	68.3	51%	0.508	36%	0.356	S	S	.	.	S	Bend	trans	-59.8	136.8	-176.9	-62.6	-27.6	0	0	0	110.9	P460 R494 L691	P460-D693 WeakPolarHBondContact CD-O 3.38Å; P460-D693 WeakPolarHBondContact CG-O 3.33Å; R494-D693 VanDerWaalsContact CZ-O 3.25Å; R494-D693 PolarHBondContact NH1-O 3.41Å; R494-D693 PolarHBondContact NH2-O 2.93Å; L691-D693 VanDerWaalsContact C-N 3.26Å; L691-D693 PolarHBondContact O-N 3.12Å
694	K	89.4	Confident	81.9	Confident	125 Å²	125	63.6 Å²	63.6	54%	0.543	34%	0.342	S	S	.	.			trans	-59.4	144.7	-178.4	-67.4	169.2	164.2	-124.9	0	111.9	D458 R494 T692 E696	D458-K694 HydrophobicContact CB-CB 4.22Å; D458-K694 HydrophobicContact CB-CG 4.45Å; D458-K694 CarbonylContact O-C 3.53Å; D458-K694 WeakPolarHBondContact O-CA 3.29Å; D458-K694 IonicContact OD1-NZ 3.67Å; D458-K694 WeakPolarHBondContact OD2-CD 3.42Å; D458-K694 VanDerWaalsContact OD2-CE 3.27Å; D458-K694 WeakPolarHBondContact OD2-CE 3.2Å; D458-K694 WeakPolarHBondContact OD2-CG 3.16Å; D458-K694 IonicContact OD2-NZ 3.75Å; D458-K694 PolarHBondContact OD2-NZ 3.39Å; R494-K694 PolarHBondContact NH1-O 2.99Å; T692-K694 PolarHBondContact O-N 3.45Å; K694-E696 PolarHBondContact O-N 3.18Å; K694-E696 VanDerWaalsContact O-N 3.07Å
695	I	87.9	Confident	82.9	Confident	0 Å²	0	62.9 Å²	62.9	0%	0	34%	0.339	C	S	.	.			trans	-72.5	97.1	169.9	-63.3	175.1	0	0	0	107.5	I443 G444 T445 D458 P460 L463 L491	I443-I695 HydrophobicContact CG2-CD1 3.88Å; G444-I695 WeakPolarHBondContact CA-O 3.37Å; T445-I695 PolarHBondContact N-O 3.36Å; T445-I695 VanDerWaalsContact N-O 3.1Å; D458-I695 PolarHBondContact O-N 3.04Å; P460-I695 HydrophobicContact CB-CD1 4.44Å; P460-I695 HydrophobicContact CB-CG1 4.46Å; P460-I695 HydrophobicContact CG-CD1 4.4Å; P460-I695 HydrophobicContact CG-CG1 3.92Å; L463-I695 HydrophobicContact CD1-CD1 4.15Å; L491-I695 HydrophobicContact CD1-CB 4.41Å; L491-I695 HydrophobicContact CD1-CD1 4.2Å; L491-I695 HydrophobicContact CD1-CG1 4.01Å; L491-I695 HydrophobicContact CD1-CG2 3.65Å
696	E	87.5	Confident	84.1	Confident	106 Å²	106	61.8 Å²	61.8	50%	0.495	33%	0.333	S	S	.	.			trans	-78.4	136.1	173.5	-62.7	-159.3	-172	0	0	111	K694 K700	K694-E696 PolarHBondContact O-N 3.18Å; K694-E696 VanDerWaalsContact O-N 3.07Å; E696-K700 IonicContact OE2-NZ 3.94Å; E696-K700 PolarHBondContact OE2-NZ 3.05Å
697	T	84.1	Confident	85.2	Confident	0 Å²	0	58 Å²	58	0%	0	31%	0.312	C	S	.	.			trans	-97	120.7	171.2	58.1	0	0	0	0	108.3	M442 T445 V447 K700	M442-T697 HydrophobicContact CE-CG2 3.39Å; T445-T697 PolarHBondContact O-OG1 3.49Å; T445-T697 PolarHBondContact OG1-N 3.46Å; T445-T697 PolarHBondContact OG1-OG1 3.2Å; V447-T697 WeakPolarHBondContact CG1-OG1 3.12Å; T697-K700 WeakPolarHBondContact O-CG 3.36Å
698	T	82.3	Confident	86	Confident	50 Å²	50	55.7 Å²	55.7	31%	0.307	30%	0.302	S	S	.	.	S	Bend	trans	-127.6	132.7	-179.4	58.2	0	0	0	0	109.1
699	P	87.3	Confident	86.9	Confident	27 Å²	27	53.1 Å²	53.1	18%	0.175	29%	0.29	C	S	.	.			cis	-72	153.2	1.5	-12.2	27.5	0	0	0	113.1	N417 F420 E704	N417-P699 PolarHBondContact ND2-O 2.83Å; F420-P699 HydrophobicContact CB-CB 4.04Å; F420-P699 HydrophobicContact CB-CG 3.7Å; F420-P699 HydrophobicContact CD2-CB 3.98Å; F420-P699 HydrophobicContact CG-CB 4.38Å; P699-E704 WeakPolarHBondContact CA-OE2 3.33Å; P699-E704 HydrophobicContact CB-CB 3.83Å
700	K	86.2	Confident	87.6	Confident	84 Å²	84	47.6 Å²	47.6	37%	0.365	26%	0.257	S	S	.	.			trans	-95.4	-34.8	179	-68.8	177.1	-174.6	166.2	0	112.5	E696 T697 E704	E696-K700 IonicContact OE2-NZ 3.94Å; E696-K700 PolarHBondContact OE2-NZ 3.05Å; T697-K700 WeakPolarHBondContact O-CG 3.36Å; K700-E704 PolarHBondContact N-OE2 3.41Å
701	V	90.1	Very high	88.4	Confident	53 Å²	53	45.9 Å²	45.9	32%	0.321	25%	0.248	S	C	.	.	S	Bend	trans	-128.2	161.5	-170.3	-64.8	0	0	0	0	111.5	S703 E704 E729	V701-S703 VanDerWaalsContact C-N 3.31Å; V701-S703 VanDerWaalsContact CG2-OG 3.27Å; V701-S703 WeakPolarHBondContact CG2-OG 2.98Å; V701-S703 PolarHBondContact O-N 3.42Å; V701-E704 HydrophobicContact CG2-CB 4.22Å; V701-E704 HydrophobicContact CG2-CG 3.66Å; V701-E704 PolarHBondContact O-N 3.31Å; V701-E729 WeakPolarHBondContact CB-OE1 2.99Å
702	L	90.6	Very high	89	Confident	11 Å²	11	42.9 Å²	42.9	6%	0.058	23%	0.232	C	C	.	.	H	α-helix	trans	-69.3	-30.4	-175.7	-178.5	65.1	0	0	0	111.7	F224 A226 E228 F420 E704 F705 Y706 A725 E729	F224-L702 HydrophobicContact CE1-CD2 4.03Å; A226-L702 HydrophobicContact CB-CD2 3.87Å; E228-L702 HydrophobicContact CB-CD1 4.33Å; F420-L702 HydrophobicContact CD1-CD1 4.44Å; F420-L702 HydrophobicContact CE1-CB 4.27Å; F420-L702 HydrophobicContact CE1-CD1 3.76Å; F420-L702 HydrophobicContact CZ-CB 4.2Å; L702-E704 VanDerWaalsContact C-N 3.31Å; L702-E704 PolarHBondContact O-N 2.86Å; L702-F705 HydrophobicContact CD1-CB 4.45Å; L702-F705 HydrophobicContact CD1-CD1 4.15Å; L702-F705 WeakPolarHBondContact O-CB 3.37Å; L702-F705 PolarHBondContact O-N 3.05Å; L702-Y706 HydrophobicContact CD1-CE2 3.97Å; L702-Y706 HydrophobicContact CD2-CE2 4.14Å; L702-Y706 HydrophobicContact CG-CD2 4.41Å; L702-Y706 HydrophobicContact CG-CE2 3.69Å; L702-Y706 VanDerWaalsContact O-CD2 3.31Å; L702-Y706 WeakPolarHBondContact O-CD2 3.48Å; L702-A725 HydrophobicContact CD2-CB 4.41Å; L702-A725 HydrophobicContact CG-CB 4.32Å; L702-E729 PolarHBondContact N-OE1 2.65Å
703	S	91.7	Very high	89.6	Confident	12 Å²	12	41.3 Å²	41.3	8%	0.084	22%	0.215	C	C	.	.	H	α-helix	trans	-61.4	-36.6	175.2	54.4	0	0	0	0	113.2	V701 F705 E729	V701-S703 VanDerWaalsContact C-N 3.31Å; V701-S703 VanDerWaalsContact CG2-OG 3.27Å; V701-S703 WeakPolarHBondContact CG2-OG 2.98Å; V701-S703 PolarHBondContact O-N 3.42Å; S703-F705 VanDerWaalsContact C-N 3.33Å; S703-E729 WeakPolarHBondContact CB-OE2 3.48Å; S703-E729 PolarHBondContact N-OE1 3.16Å; S703-E729 PolarHBondContact OG-OE1 2.71Å; S703-E729 PolarHBondContact OG-OE2 3.08Å
704	E	91.1	Very high	90.1	Very high	93 Å²	93	37 Å²	37	44%	0.435	19%	0.193	S	C	.	.	H	α-helix	trans	-71.1	-27.1	175.4	-68.8	173.4	175.7	0	0	112.5	P699 K700 V701 L702	P699-E704 WeakPolarHBondContact CA-OE2 3.33Å; P699-E704 HydrophobicContact CB-CB 3.83Å; K700-E704 PolarHBondContact N-OE2 3.41Å; V701-E704 HydrophobicContact CG2-CB 4.22Å; V701-E704 HydrophobicContact CG2-CG 3.66Å; V701-E704 PolarHBondContact O-N 3.31Å; L702-E704 VanDerWaalsContact C-N 3.31Å; L702-E704 PolarHBondContact O-N 2.86Å
705	F	93.4	Very high	90.4	Very high	3 Å²	3	31.1 Å²	31.1	1%	0.013	17%	0.167	C	C	.	.	H	α-helix	trans	-64.3	-42	178.3	167.6	-105.9	0	0	0	112.3	E228 K300 F420 P423 L702 S703 I707	E228-F705 HydrophobicContact CB-CD1 4.15Å; E228-F705 HydrophobicContact CB-CE1 3.83Å; E228-F705 HydrophobicContact CB-CZ 4.07Å; K300-F705 HydrophobicContact CB-CE1 4.18Å; K300-F705 HydrophobicContact CB-CE2 4.42Å; K300-F705 HydrophobicContact CB-CZ 3.75Å; K300-F705 WeakPolarHBondContact CE-O 3.4Å; K300-F705 PolarHBondContact NZ-O 2.88Å; F420-F705 HydrophobicContact CB-CB 4.14Å; F420-F705 HydrophobicContact CB-CD2 3.93Å; F420-F705 HydrophobicContact CB-CG 4.39Å; F420-F705 HydrophobicContact CD1-CB 3.78Å; F420-F705 HydrophobicContact CD1-CD2 4.22Å; F420-F705 HydrophobicContact CD1-CG 4.02Å; F420-F705 HydrophobicContact CE1-CB 4.45Å; F420-F705 HydrophobicContact CG-CB 4.03Å; F420-F705 HydrophobicContact CG-CD2 4.47Å; F420-F705 WeakPolarHBondContact O-CD2 3.5Å; F420-F705 WeakPolarHBondContact O-CE2 3.34Å; P423-F705 HydrophobicContact CG-CE2 3.64Å; P423-F705 HydrophobicContact CG-CZ 3.85Å; L702-F705 HydrophobicContact CD1-CB 4.45Å; L702-F705 HydrophobicContact CD1-CD1 4.15Å; L702-F705 WeakPolarHBondContact O-CB 3.37Å; L702-F705 PolarHBondContact O-N 3.05Å; S703-F705 VanDerWaalsContact C-N 3.33Å; F705-I707 PolarHBondContact O-N 3Å
706	Y	93.8	Very high	90.8	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-72.6	-25.4	-172.7	-70.1	-62.2	0	0	0	114.3	D299 L702 T712 M718 C721 T722 A725	D299-Y706 HydrophobicContact CB-CE1 4.18Å; L702-Y706 HydrophobicContact CD1-CE2 3.97Å; L702-Y706 HydrophobicContact CD2-CE2 4.14Å; L702-Y706 HydrophobicContact CG-CD2 4.41Å; L702-Y706 HydrophobicContact CG-CE2 3.69Å; L702-Y706 VanDerWaalsContact O-CD2 3.31Å; L702-Y706 WeakPolarHBondContact O-CD2 3.48Å; Y706-T712 VanDerWaalsContact O-CB 3.31Å; Y706-T712 WeakPolarHBondContact O-CB 3.36Å; Y706-M718 HydrophobicContact CD1-CE 4.21Å; Y706-M718 HydrophobicContact CD1-SD 3.74Å; Y706-M718 HydrophobicContact CG-SD 4.47Å; Y706-M718 WeakPolarHBondContact O-CB 3.31Å; Y706-C721 HydrophobicContact CD1-CB 3.7Å; Y706-C721 HydrophobicContact CD2-CB 3.71Å; Y706-C721 HydrophobicContact CE1-CB 3.82Å; Y706-C721 HydrophobicContact CE2-CB 3.79Å; Y706-C721 HydrophobicContact CG-CB 3.66Å; Y706-T722 WeakPolarHBondContact CB-OG1 3.39Å; Y706-A725 HydrophobicContact CD2-CB 4.3Å; Y706-A725 HydrophobicContact CE2-CB 4.14Å
707	I	89.7	Confident	91.2	Very high	68 Å²	68	29.1 Å²	29.1	35%	0.349	16%	0.162	S	C	.	.	S	Bend	trans	-125	98.8	179.8	-61.6	174.8	0	0	0	108.4	F705 K713 T722	F705-I707 PolarHBondContact O-N 3Å; I707-K713 HydrophobicContact CG2-CB 4.48Å; I707-K713 HydrophobicContact CG2-CG 3.56Å; I707-T722 HydrophobicContact CD1-CG2 3.92Å; I707-T722 VanDerWaalsContact CD1-OG1 3.23Å; I707-T722 WeakPolarHBondContact CD1-OG1 3.34Å; I707-T722 VanDerWaalsContact CG1-OG1 3.3Å; I707-T722 WeakPolarHBondContact CG1-OG1 3.31Å
708	G	83.9	Confident	91.8	Very high	39 Å²	39	29.1 Å²	29.1	40%	0.402	16%	0.162	S	C	.	.			trans	-133.9	-20.4	179.6	0	0	0	0	0	114.6	T712	G708-T712 PolarHBondContact N-OG1 3.02Å
709	D	90.2	Very high	92.4	Very high	8 Å²	8	28.6 Å²	28.6	4%	0.043	16%	0.163	C	C	.	.	S	Bend	trans	-140.1	173.1	-169.3	61.7	56.7	0	0	0	111.5	F356 I711 T712 K713	F356-D709 HydrophobicContact CE2-CB 3.81Å; F356-D709 HydrophobicContact CZ-CB 3.51Å; F356-D709 VanDerWaalsContact CZ-CG 3.44Å; D709-I711 VanDerWaalsContact C-N 3.28Å; D709-I711 PolarHBondContact O-N 3.22Å; D709-I711 PolarHBondContact OD1-N 3.44Å; D709-T712 PolarHBondContact N-OG1 2.75Å; D709-T712 PolarHBondContact O-N 3.31Å; D709-T712 PolarHBondContact O-OG1 2.99Å; D709-T712 WeakPolarHBondContact OD1-CB 3.03Å; D709-T712 VanDerWaalsContact OD1-CG2 3.31Å; D709-T712 WeakPolarHBondContact OD1-CG2 3.5Å; D709-T712 PolarHBondContact OD1-N 3.26Å; D709-T712 PolarHBondContact OD1-OG1 3.06Å; D709-T712 WeakPolarHBondContact OD2-CG2 3.38Å; D709-T712 PolarHBondContact OD2-OG1 3.18Å; D709-K713 WeakPolarHBondContact O-CB 3.32Å; D709-K713 WeakPolarHBondContact O-CG 3.41Å; D709-K713 PolarHBondContact O-N 2.95Å
710	V	93.4	Very high	92.8	Very high	8 Å²	8	32.8 Å²	32.8	5%	0.048	18%	0.178	C	C	.	.	H	α-helix	trans	-61.9	-32.9	-174.4	-138.3	0	0	0	0	113.3	F356 D559 H581 D583 A714	F356-V710 HydrophobicContact CD2-CG2 4.47Å; F356-V710 HydrophobicContact CE2-CG2 4.17Å; D559-V710 HydrophobicContact CB-CG1 4.35Å; D559-V710 HydrophobicContact CB-CG2 3.77Å; D559-V710 WeakPolarHBondContact OD2-CG2 3.09Å; H581-V710 HydrophobicContact CB-CB 4.3Å; H581-V710 HydrophobicContact CB-CG1 3.64Å; D583-V710 HydrophobicContact CB-CG1 3.39Å; V710-A714 PolarHBondContact O-N 3.4Å
711	I	95.7	Very high	93.3	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-78.9	-44	-177.3	-54.1	171.1	0	0	0	110	M265 A304 L308 F356 Y598 D709 A714 S715	M265-I711 HydrophobicContact CE-CB 4Å; M265-I711 HydrophobicContact CE-CD1 3.63Å; M265-I711 HydrophobicContact CE-CG1 4.41Å; M265-I711 HydrophobicContact CE-CG2 3.8Å; M265-I711 HydrophobicContact SD-CB 4.48Å; M265-I711 HydrophobicContact SD-CD1 4.41Å; A304-I711 HydrophobicContact CB-CG2 4.28Å; A304-I711 WeakPolarHBondContact O-CG2 3.45Å; L308-I711 HydrophobicContact CD2-CD1 3.96Å; L308-I711 HydrophobicContact CD2-CG1 4.24Å; L308-I711 HydrophobicContact CD2-CG2 3.84Å; L308-I711 HydrophobicContact CG-CG2 4.04Å; F356-I711 HydrophobicContact CD1-CD1 4.49Å; F356-I711 HydrophobicContact CD2-CD1 4.1Å; F356-I711 HydrophobicContact CD2-CG1 4.36Å; F356-I711 HydrophobicContact CE1-CD1 4.23Å; F356-I711 HydrophobicContact CE2-CD1 3.81Å; F356-I711 HydrophobicContact CE2-CG1 3.84Å; F356-I711 HydrophobicContact CG-CD1 4.4Å; F356-I711 HydrophobicContact CZ-CD1 3.86Å; F356-I711 HydrophobicContact CZ-CG1 4.18Å; Y598-I711 HydrophobicContact CD1-CD1 4.14Å; Y598-I711 HydrophobicContact CE1-CD1 4.09Å; D709-I711 VanDerWaalsContact C-N 3.28Å; D709-I711 PolarHBondContact O-N 3.22Å; D709-I711 PolarHBondContact OD1-N 3.44Å; I711-A714 PolarHBondContact O-N 3.37Å; I711-S715 PolarHBondContact O-N 2.75Å; I711-S715 VanDerWaalsContact O-N 3.11Å
712	T	94.7	Very high	93.5	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-68.5	-36.8	178.7	53.8	0	0	0	0	112.3	M265 K300 A304 Y706 G708 D709 A714 S715 M718	M265-T712 HydrophobicContact SD-CG2 4.29Å; K300-T712 HydrophobicContact CD-CG2 3.81Å; K300-T712 HydrophobicContact CG-CG2 3.5Å; K300-T712 VanDerWaalsContact CG-CG2 3.5Å; A304-T712 HydrophobicContact CB-CG2 4.22Å; Y706-T712 VanDerWaalsContact O-CB 3.31Å; Y706-T712 WeakPolarHBondContact O-CB 3.36Å; G708-T712 PolarHBondContact N-OG1 3.02Å; D709-T712 PolarHBondContact N-OG1 2.75Å; D709-T712 PolarHBondContact O-N 3.31Å; D709-T712 PolarHBondContact O-OG1 2.99Å; D709-T712 WeakPolarHBondContact OD1-CB 3.03Å; D709-T712 VanDerWaalsContact OD1-CG2 3.31Å; D709-T712 WeakPolarHBondContact OD1-CG2 3.5Å; D709-T712 PolarHBondContact OD1-N 3.26Å; D709-T712 PolarHBondContact OD1-OG1 3.06Å; D709-T712 WeakPolarHBondContact OD2-CG2 3.38Å; D709-T712 PolarHBondContact OD2-OG1 3.18Å; T712-A714 VanDerWaalsContact C-N 3.3Å; T712-A714 PolarHBondContact O-N 3.49Å; T712-S715 WeakPolarHBondContact O-CB 3.14Å; T712-S715 PolarHBondContact O-N 2.86Å; T712-M718 HydrophobicContact CG2-CG 4.14Å; T712-M718 WeakPolarHBondContact O-CB 3.26Å
713	K	94.2	Very high	93.7	Very high	86 Å²	86	33 Å²	33	37%	0.374	18%	0.178	S	C	.	.	H	α-helix	trans	-60.2	-38.5	170.5	-73.7	172.4	-164.2	175.1	0	112.4	D583 I707 D709 S715	D583-K713 WeakPolarHBondContact OD2-CD 3.3Å; D583-K713 IonicContact OD2-NZ 2.64Å; D583-K713 PolarHBondContact OD2-NZ 3Å; I707-K713 HydrophobicContact CG2-CB 4.48Å; I707-K713 HydrophobicContact CG2-CG 3.56Å; D709-K713 WeakPolarHBondContact O-CB 3.32Å; D709-K713 WeakPolarHBondContact O-CG 3.41Å; D709-K713 PolarHBondContact O-N 2.95Å; K713-S715 VanDerWaalsContact C-N 3.32Å
714	A	95.1	Very high	93.8	Very high	4 Å²	4	33.7 Å²	33.7	3%	0.033	18%	0.184	C	C	.	.	H	α-helix	trans	-77.4	-16.2	178.6	0	0	0	0	0	113.7	R310 V710 I711 T712	R310-A714 WeakPolarHBondContact CD-O 3.38Å; R310-A714 PolarHBondContact NE-O 2.59Å; V710-A714 PolarHBondContact O-N 3.4Å; I711-A714 PolarHBondContact O-N 3.37Å; T712-A714 VanDerWaalsContact C-N 3.3Å; T712-A714 PolarHBondContact O-N 3.49Å
715	S	96.6	Very high	93.8	Very high	2 Å²	2	29.2 Å²	29.2	1%	0.014	16%	0.164	C	C	.	.			trans	-75.3	127.1	-177	169.9	0	0	0	0	112.6	D306 I711 T712 K713 T717 M718 A719	D306-S715 WeakPolarHBondContact OD1-CB 3.38Å; D306-S715 PolarHBondContact OD1-OG 3.41Å; D306-S715 PolarHBondContact OD2-OG 2.85Å; I711-S715 PolarHBondContact O-N 2.75Å; I711-S715 VanDerWaalsContact O-N 3.11Å; T712-S715 WeakPolarHBondContact O-CB 3.14Å; T712-S715 PolarHBondContact O-N 2.86Å; K713-S715 VanDerWaalsContact C-N 3.32Å; S715-T717 VanDerWaalsContact C-N 3.32Å; S715-T717 PolarHBondContact OG-N 3.46Å; S715-M718 WeakPolarHBondContact OG-CG 3.32Å; S715-M718 PolarHBondContact OG-N 2.93Å; S715-A719 PolarHBondContact O-N 2.98Å
716	V	95.7	Very high	93.8	Very high	50 Å²	50	33.4 Å²	33.4	30%	0.303	19%	0.186	S	C	.	.	H	α-helix	trans	-70.5	-36.3	174.3	-178.2	0	0	0	0	110.4	D306 A719 K720	D306-V716 PolarHBondContact OD2-N 2.96Å; D306-V716 VanDerWaalsContact OD2-N 3.16Å; V716-A719 PolarHBondContact O-N 3.08Å; V716-K720 HydrophobicContact CG1-CD 4.46Å; V716-K720 WeakPolarHBondContact O-CG 3.42Å; V716-K720 PolarHBondContact O-N 3.31Å
717	T	96	Very high	93.8	Very high	14 Å²	14	35.6 Å²	35.6	9%	0.086	20%	0.203	C	C	.	.	H	α-helix	trans	-66	-46.7	-179.9	-54.9	0	0	0	0	110.3	P246 F303 D306 S715 A719 K720 C721	P246-T717 HydrophobicContact CG-CG2 3.58Å; F303-T717 HydrophobicContact CB-CG2 3.85Å; F303-T717 HydrophobicContact CG-CG2 4.34Å; D306-T717 VanDerWaalsContact OD2-CB 3.28Å; D306-T717 WeakPolarHBondContact OD2-CB 3.41Å; D306-T717 PolarHBondContact OD2-N 3.23Å; D306-T717 PolarHBondContact OD2-OG1 3.34Å; S715-T717 VanDerWaalsContact C-N 3.32Å; S715-T717 PolarHBondContact OG-N 3.46Å; T717-A719 VanDerWaalsContact C-N 3.34Å; T717-A719 PolarHBondContact O-N 3.33Å; T717-K720 PolarHBondContact O-N 2.99Å; T717-C721 PolarHBondContact O-N 3.32Å; T717-C721 PolarHBondContact O-SG 3.33Å
718	M	95.8	Very high	93.7	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-63.1	-38.8	176.4	-64.4	-61	93.1	0	0	112.4	F303 Y706 T712 S715 K720 C721 T722	F303-M718 HydrophobicContact CB-CE 3.63Å; Y706-M718 HydrophobicContact CD1-CE 4.21Å; Y706-M718 HydrophobicContact CD1-SD 3.74Å; Y706-M718 HydrophobicContact CG-SD 4.47Å; Y706-M718 WeakPolarHBondContact O-CB 3.31Å; T712-M718 HydrophobicContact CG2-CG 4.14Å; T712-M718 WeakPolarHBondContact O-CB 3.26Å; S715-M718 WeakPolarHBondContact OG-CG 3.32Å; S715-M718 PolarHBondContact OG-N 2.93Å; M718-K720 PolarHBondContact O-N 2.76Å; M718-C721 PolarHBondContact O-N 2.89Å; M718-T722 WeakPolarHBondContact O-CB 3.48Å; M718-T722 PolarHBondContact O-N 2.87Å; M718-T722 PolarHBondContact O-OG1 3.18Å
719	A	95.8	Very high	93.9	Very high	38 Å²	38	34.3 Å²	34.3	31%	0.314	18%	0.184	S	C	.	.	H	α-helix	trans	-59.8	-43.4	173.3	0	0	0	0	0	112.4	S715 V716 T717 T722 Q723	S715-A719 PolarHBondContact O-N 2.98Å; V716-A719 PolarHBondContact O-N 3.08Å; T717-A719 VanDerWaalsContact C-N 3.34Å; T717-A719 PolarHBondContact O-N 3.33Å; A719-T722 PolarHBondContact O-N 2.9Å; A719-Q723 WeakPolarHBondContact O-CG 3.48Å; A719-Q723 PolarHBondContact O-N 3.2Å
720	K	95.6	Very high	93.8	Very high	116 Å²	116	38.5 Å²	38.5	50%	0.504	21%	0.214	S	C	.	.	H	α-helix	trans	-66.2	-39.2	174.4	-71.8	176	180	178	0	112.6	P178 V716 T717 M718 T722 Q723 A724	P178-K720 HydrophobicContact CB-CB 4.03Å; P178-K720 HydrophobicContact CG-CB 4.49Å; V716-K720 HydrophobicContact CG1-CD 4.46Å; V716-K720 WeakPolarHBondContact O-CG 3.42Å; V716-K720 PolarHBondContact O-N 3.31Å; T717-K720 PolarHBondContact O-N 2.99Å; M718-K720 PolarHBondContact O-N 2.76Å; K720-T722 VanDerWaalsContact C-N 3.32Å; K720-Q723 PolarHBondContact O-N 3.09Å; K720-A724 PolarHBondContact O-N 2.96Å
721	C	95.4	Very high	93.3	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-62.1	-42.4	175.6	-63.8	0	0	0	0	111.1	P178 V179 Y706 T717 M718 A724 A725	P178-C721 HydrophobicContact CG-CB 4.43Å; V179-C721 WeakPolarHBondContact CG2-SG 3.49Å; Y706-C721 HydrophobicContact CD1-CB 3.7Å; Y706-C721 HydrophobicContact CD2-CB 3.71Å; Y706-C721 HydrophobicContact CE1-CB 3.82Å; Y706-C721 HydrophobicContact CE2-CB 3.79Å; Y706-C721 HydrophobicContact CG-CB 3.66Å; T717-C721 PolarHBondContact O-N 3.32Å; T717-C721 PolarHBondContact O-SG 3.33Å; M718-C721 PolarHBondContact O-N 2.89Å; C721-A724 PolarHBondContact O-N 2.82Å; C721-A725 WeakPolarHBondContact O-CB 3.39Å; C721-A725 PolarHBondContact O-N 3.14Å
722	T	94.7	Very high	92.4	Very high	18 Å²	18	50.8 Å²	50.8	11%	0.11	27%	0.266	C	S	.	.	H	α-helix	trans	-62.1	-45.1	176.4	-52.9	0	0	0	0	111.3	Y706 I707 M718 A719 K720 A724 A725 L726	Y706-T722 WeakPolarHBondContact CB-OG1 3.39Å; I707-T722 HydrophobicContact CD1-CG2 3.92Å; I707-T722 VanDerWaalsContact CD1-OG1 3.23Å; I707-T722 WeakPolarHBondContact CD1-OG1 3.34Å; I707-T722 VanDerWaalsContact CG1-OG1 3.3Å; I707-T722 WeakPolarHBondContact CG1-OG1 3.31Å; M718-T722 WeakPolarHBondContact O-CB 3.48Å; M718-T722 PolarHBondContact O-N 2.87Å; M718-T722 PolarHBondContact O-OG1 3.18Å; A719-T722 PolarHBondContact O-N 2.9Å; K720-T722 VanDerWaalsContact C-N 3.32Å; T722-A724 VanDerWaalsContact C-N 3.34Å; T722-A724 PolarHBondContact O-N 3.47Å; T722-A725 PolarHBondContact O-N 3.09Å; T722-L726 HydrophobicContact CG2-CD1 4.14Å; T722-L726 HydrophobicContact CG2-CG 4.43Å; T722-L726 WeakPolarHBondContact O-CB 3.45Å; T722-L726 VanDerWaalsContact O-CG 3.28Å; T722-L726 WeakPolarHBondContact O-CG 3.23Å; T722-L726 PolarHBondContact O-N 3.07Å
723	Q	94.8	Very high	90.9	Very high	134 Å²	134	55.9 Å²	55.9	63%	0.626	30%	0.298	S	S	*	.	H	α-helix	trans	-60.9	-42	175.4	-71.6	175.1	-5.5	0	0	112.2	A719 K720 A727	A719-Q723 WeakPolarHBondContact O-CG 3.48Å; A719-Q723 PolarHBondContact O-N 3.2Å; K720-Q723 PolarHBondContact O-N 3.09Å; Q723-A727 WeakPolarHBondContact O-CB 3.49Å; Q723-A727 PolarHBondContact O-N 3.32Å
724	A	93.4	Very high	89	Confident	26 Å²	26	61.7 Å²	61.7	22%	0.215	32%	0.324	C	S	.	.	H	α-helix	trans	-66.8	-40.9	176.6	0	0	0	0	0	112.2	P178 F224 K720 C721 T722 A727 Y728	P178-A724 HydrophobicContact CG-CB 4.01Å; F224-A724 HydrophobicContact CD2-CB 4.36Å; F224-A724 HydrophobicContact CE1-CB 4.48Å; F224-A724 HydrophobicContact CE2-CB 4.33Å; F224-A724 HydrophobicContact CG-CB 4.5Å; F224-A724 HydrophobicContact CZ-CB 4.38Å; K720-A724 PolarHBondContact O-N 2.96Å; C721-A724 PolarHBondContact O-N 2.82Å; T722-A724 VanDerWaalsContact C-N 3.34Å; T722-A724 PolarHBondContact O-N 3.47Å; A724-A727 PolarHBondContact O-N 3.4Å; A724-Y728 WeakPolarHBondContact O-CB 3.47Å; A724-Y728 PolarHBondContact O-N 2.96Å
725	A	93	Very high	86.7	Confident	0 Å²	0	67.8 Å²	67.8	0%	0	36%	0.36	C	S	.	.	H	α-helix	trans	-64.5	-46.6	176.5	0	0	0	0	0	111.6	F224 L702 Y706 C721 T722 A727 Y728 E729	F224-A725 HydrophobicContact CE1-CB 4.33Å; L702-A725 HydrophobicContact CD2-CB 4.41Å; L702-A725 HydrophobicContact CG-CB 4.32Å; Y706-A725 HydrophobicContact CD2-CB 4.3Å; Y706-A725 HydrophobicContact CE2-CB 4.14Å; C721-A725 WeakPolarHBondContact O-CB 3.39Å; C721-A725 PolarHBondContact O-N 3.14Å; T722-A725 PolarHBondContact O-N 3.09Å; A725-A727 VanDerWaalsContact C-N 3.3Å; A725-A727 PolarHBondContact O-N 3.01Å; A725-Y728 WeakPolarHBondContact O-CB 3.37Å; A725-Y728 PolarHBondContact O-N 3.38Å; A725-Y728 VanDerWaalsContact O-N 3.1Å; A725-E729 WeakPolarHBondContact O-CB 3.11Å; A725-E729 VanDerWaalsContact O-CG 3.24Å; A725-E729 WeakPolarHBondContact O-CG 3.41Å; A725-E729 PolarHBondContact O-N 3Å
726	L	93.3	Very high	83.4	Confident	91 Å²	91	73 Å²	73	48%	0.476	40%	0.397	S	S	.	.	H	α-helix	trans	-59.2	-40.9	174.9	-72.3	171	0	0	0	111.9	T722 S730	T722-L726 HydrophobicContact CG2-CD1 4.14Å; T722-L726 HydrophobicContact CG2-CG 4.43Å; T722-L726 WeakPolarHBondContact O-CB 3.45Å; T722-L726 VanDerWaalsContact O-CG 3.28Å; T722-L726 WeakPolarHBondContact O-CG 3.23Å; T722-L726 PolarHBondContact O-N 3.07Å; L726-S730 WeakPolarHBondContact O-CB 3.42Å; L726-S730 PolarHBondContact O-N 3.47Å
727	A	92	Very high	80.4	Confident	45 Å²	45	78.1 Å²	78.1	37%	0.372	44%	0.444	S	S	.	.	H	α-helix	trans	-65.8	-38.1	175.8	0	0	0	0	0	112.2	Q723 A724 A725 S730 R731	Q723-A727 WeakPolarHBondContact O-CB 3.49Å; Q723-A727 PolarHBondContact O-N 3.32Å; A724-A727 PolarHBondContact O-N 3.4Å; A725-A727 VanDerWaalsContact C-N 3.3Å; A725-A727 PolarHBondContact O-N 3.01Å; A727-S730 PolarHBondContact O-OG 2.98Å; A727-R731 WeakPolarHBondContact O-CG 3.19Å
728	Y	89.4	Confident	79.6	Confident	36 Å²	36	81.3 Å²	81.3	14%	0.141	46%	0.462	C	S	.	.	H	α-helix	trans	-67.6	-49.3	175	175.6	-93.9	0	0	0	111.8	L223 F224 A226 A724 A725 S730 R731 L732	L223-Y728 HydrophobicContact CD1-CD2 3.94Å; L223-Y728 HydrophobicContact CD1-CE2 3.58Å; L223-Y728 HydrophobicContact CD2-CE2 4.39Å; L223-Y728 HydrophobicContact CG-CD2 4.47Å; L223-Y728 HydrophobicContact CG-CE2 3.95Å; F224-Y728 HydrophobicContact CB-CD2 4.12Å; F224-Y728 HydrophobicContact CD1-CG 4.2Å; A226-Y728 HydrophobicContact CB-CD1 3.67Å; A226-Y728 HydrophobicContact CB-CD2 4.2Å; A226-Y728 HydrophobicContact CB-CE1 3.44Å; A226-Y728 VanDerWaalsContact CB-CE1 3.44Å; A226-Y728 HydrophobicContact CB-CE2 3.99Å; A226-Y728 HydrophobicContact CB-CG 4.06Å; A724-Y728 WeakPolarHBondContact O-CB 3.47Å; A724-Y728 PolarHBondContact O-N 2.96Å; A725-Y728 WeakPolarHBondContact O-CB 3.37Å; A725-Y728 PolarHBondContact O-N 3.38Å; A725-Y728 VanDerWaalsContact O-N 3.1Å; Y728-S730 PolarHBondContact O-N 2.97Å; Y728-R731 WeakPolarHBondContact O-CB 3.36Å; Y728-R731 PolarHBondContact O-N 3.19Å; Y728-L732 HydrophobicContact CD1-CD1 4.29Å; Y728-L732 HydrophobicContact CE1-CD1 3.83Å; Y728-L732 HydrophobicContact CE1-CD2 4.25Å; Y728-L732 HydrophobicContact CE1-CG 4.18Å; Y728-L732 PolarHBondContact O-N 2.74Å
729	E	87.9	Confident	78.8	Confident	44 Å²	44	85.6 Å²	85.6	21%	0.206	49%	0.486	C	S	.	.	H	α-helix	trans	-58.2	-36.2	178.1	-72.1	164.2	-172.7	0	0	111.7	V701 L702 S703 A725 R731 L732	V701-E729 WeakPolarHBondContact CB-OE1 2.99Å; L702-E729 PolarHBondContact N-OE1 2.65Å; S703-E729 WeakPolarHBondContact CB-OE2 3.48Å; S703-E729 PolarHBondContact N-OE1 3.16Å; S703-E729 PolarHBondContact OG-OE1 2.71Å; S703-E729 PolarHBondContact OG-OE2 3.08Å; A725-E729 WeakPolarHBondContact O-CB 3.11Å; A725-E729 VanDerWaalsContact O-CG 3.24Å; A725-E729 WeakPolarHBondContact O-CG 3.41Å; A725-E729 PolarHBondContact O-N 3Å; E729-R731 PolarHBondContact O-N 2.91Å; E729-L732 PolarHBondContact O-N 2.55Å
730	S	87.7	Confident	77.8	Confident	96 Å²	96	88.2 Å²	88.2	67%	0.671	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-21.8	176.3	76.6	0	0	0	0	114.6	L726 A727 Y728	L726-S730 WeakPolarHBondContact O-CB 3.42Å; L726-S730 PolarHBondContact O-N 3.47Å; A727-S730 PolarHBondContact O-OG 2.98Å; Y728-S730 PolarHBondContact O-N 2.97Å
731	R	83.2	Confident	76.8	Confident	183 Å²	183	86.6 Å²	86.6	69%	0.691	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.6	-19.2	179.3	-65.8	175.7	-176.7	-176.1	1.7	112.7	A727 Y728 E729	A727-R731 WeakPolarHBondContact O-CG 3.19Å; Y728-R731 WeakPolarHBondContact O-CB 3.36Å; Y728-R731 PolarHBondContact O-N 3.19Å; E729-R731 PolarHBondContact O-N 2.91Å
732	L	75.8	Confident	75.6	Confident	84 Å²	84	92 Å²	92	44%	0.44	53%	0.526	S	S	.	.	S	Bend	trans	-66.5	138.2	176.1	-67.2	175.8	0	0	0	108.8	Y728 E729 K734	Y728-L732 HydrophobicContact CD1-CD1 4.29Å; Y728-L732 HydrophobicContact CE1-CD1 3.83Å; Y728-L732 HydrophobicContact CE1-CD2 4.25Å; Y728-L732 HydrophobicContact CE1-CG 4.18Å; Y728-L732 PolarHBondContact O-N 2.74Å; E729-L732 PolarHBondContact O-N 2.55Å; L732-K734 PolarHBondContact O-N 3.45Å; L732-K734 VanDerWaalsContact O-N 3.12Å
733	P	63.8	Low	74.4	Confident	106 Å²	106	96.9 Å²	96.9	69%	0.688	55%	0.554	S	S	*	*			trans	-55.3	126.3	168.1	24.4	-30.8	0	0	0	106.7	V735	P733-V735 VanDerWaalsContact C-N 3.28Å; P733-V735 PolarHBondContact O-N 3.25Å
734	K	54.8	Low	72.9	Confident	209 Å²	209	94.3 Å²	94.3	91%	0.909	55%	0.549	S	S	*	.			trans	-57.1	99	174.7	-71.5	-175.7	179.1	-178	0	107	L732 S736	L732-K734 PolarHBondContact O-N 3.45Å; L732-K734 VanDerWaalsContact O-N 3.12Å; K734-S736 PolarHBondContact O-N 2.95Å
735	V	45.7	Very low	71.3	Confident	131 Å²	131	99.5 Å²	99.5	79%	0.794	58%	0.575	S	S	*	*			trans	-59.1	116.7	173.1	-177.3	0	0	0	0	104.7	P733 A737	P733-V735 VanDerWaalsContact C-N 3.28Å; P733-V735 PolarHBondContact O-N 3.25Å; V735-A737 PolarHBondContact O-N 2.97Å
736	S	28.3	Very low	69.5	Low	112 Å²	112	107.8 Å²	107.8	78%	0.783	62%	0.622	S	S	*	*			trans	-55.6	111.2	174.1	48.5	0	0	0	0	107.3	K734	K734-S736 PolarHBondContact O-N 2.95Å
737	A	32.5	Very low	67.4	Low	157 Å²	157	109.4 Å²	109.4	100%	1.298	64%	0.636	S	S	*	*			trans	-59.3	0	173.1	0	0	0	0	0	111.5	V735	V735-A737 PolarHBondContact O-N 2.97Å

Retrieved 737 of 737 residues in 463.6 ms (Link to these results)

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