A0A087YIU1_POEFO Loading...

Kelch like family member 22

AlphaFold DB , UniProt , Accession A0A087YIU1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 632 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	38.2	Very low	30.1	Very low	253 Å²	253	163.5 Å²	163.5	100%	1.246	85%	0.845	S	S	*	*				0	130.6	0	-90.1	171.4	166.8	0	0	107.4
2	K	28.7	Very low	30.3	Very low	210 Å²	210	164 Å²	164	91%	0.913	84%	0.841	S	S	*	*			trans	-74	162.3	-163.7	-78.6	179.3	173.2	-177.9	0	113.9
3	P	42.3	Very low	30.6	Very low	104 Å²	104	161.8 Å²	161.8	68%	0.675	83%	0.832	S	S	*	*			trans	-105.6	175.4	-169.3	41.8	-33	0	0	0	114.8
4	E	30.7	Very low	30.5	Very low	193 Å²	193	155.2 Å²	155.2	90%	0.902	82%	0.824	S	S	*	*			trans	65.4	149.5	153.6	-71.3	162.1	-158.2	0	0	118.3
5	G	27.7	Very low	30.5	Very low	71 Å²	71	161.7 Å²	161.7	73%	0.732	83%	0.832	S	S	*	*			cis	155	143.9	12.4	0	0	0	0	0	107.4
6	H	27.5	Very low	30.8	Very low	187 Å²	187	162.9 Å²	162.9	87%	0.866	83%	0.833	S	S	*	*			trans	-45.6	162.7	-176.8	-64.4	-62.5	0	0	0	116.1
7	R	27.3	Very low	30.9	Very low	204 Å²	204	164 Å²	164	77%	0.77	84%	0.84	S	S	*	*			cis	171.4	146.5	44.3	-138	162.4	179	-164.2	5	104.7
8	F	25.3	Very low	31.2	Very low	170 Å²	170	162.3 Å²	162.3	75%	0.746	84%	0.838	S	S	*	*				169.2	162.3	79.5	-115	-71.3	0	0	0	110.3
9	V	28.6	Very low	31.2	Very low	124 Å²	124	157.6 Å²	157.6	75%	0.752	83%	0.834	S	S	*	*			trans	-77.7	145	-175	174.4	0	0	0	0	113.5
10	M	26.6	Very low	31.3	Very low	191 Å²	191	155.1 Å²	155.1	94%	0.941	83%	0.829	S	S	*	*			trans	-137.2	141.1	155.9	-90	-75	-97.7	0	0	109.9
11	A	28.3	Very low	31.5	Very low	91 Å²	91	154.2 Å²	154.2	75%	0.752	83%	0.83	S	S	*	*			trans	-92.7	151.1	-158.2	0	0	0	0	0	115.8
12	E	32.8	Very low	31.4	Very low	170 Å²	170	151.1 Å²	151.1	79%	0.794	81%	0.809	S	S	*	*			trans	-34.8	164.8	151.7	-76.8	-175.9	164.9	0	0	116
13	N	33.4	Very low	32.2	Very low	135 Å²	135	150.7 Å²	150.7	72%	0.722	81%	0.811	S	S	*	*			cis	-166.8	145.5	4	-98.6	-28	0	0	0	104
14	G	30	Very low	32.1	Very low	70 Å²	70	150.1 Å²	150.1	72%	0.722	81%	0.814	S	S	*	*				79.7	90.4	61.6	0	0	0	0	0	112.5
15	R	30.2	Very low	32.9	Very low	252 Å²	252	152.6 Å²	152.6	95%	0.951	82%	0.816	S	S	*	*			trans	-145.5	116.6	157.3	-82.6	-164.3	177.4	175	0	112.5
16	E	34.8	Very low	33.9	Very low	181 Å²	181	158.6 Å²	158.6	85%	0.846	82%	0.822	S	S	*	*			trans	-72.9	154.5	167.9	-66.9	175.6	138.4	0	0	111.9
17	L	32.7	Very low	35.3	Very low	182 Å²	182	153.6 Å²	153.6	95%	0.953	81%	0.808	S	S	*	*			trans	-137.9	123.5	156.9	-102.5	148.9	0	0	0	110.3
18	V	36.1	Very low	36.9	Very low	133 Å²	133	152 Å²	152	81%	0.806	81%	0.814	S	S	*	*			trans	-77.5	129.4	-173	172.7	0	0	0	0	111
19	G	32.3	Very low	38.5	Very low	73 Å²	73	154.4 Å²	154.4	75%	0.753	82%	0.818	S	S	*	*			trans	-102.3	114.5	171.7	0	0	0	0	0	112.3
20	S	32.3	Very low	40.7	Very low	107 Å²	107	157.5 Å²	157.5	75%	0.748	83%	0.825	S	S	*	*			trans	-64.3	128.2	174.3	174.1	0	0	0	0	112.2	K22	S20-K22 PolarHBondContact O-N 3.21Å
21	V	35.3	Very low	43.1	Very low	138 Å²	138	153.7 Å²	153.7	84%	0.836	82%	0.817	S	S	*	*			trans	-80.1	104.6	171.6	179.7	0	0	0	0	109.1
22	K	37	Very low	45.9	Very low	187 Å²	187	158.2 Å²	158.2	81%	0.813	82%	0.82	S	S	*	*			trans	-101.5	122	158.3	-84.6	-175.3	176.4	177.9	0	108.9	S20 A24	S20-K22 PolarHBondContact O-N 3.21Å; K22-A24 PolarHBondContact O-N 3.15Å; K22-A24 VanDerWaalsContact O-N 3.13Å
23	Q	45.9	Very low	48.3	Very low	202 Å²	202	157.5 Å²	157.5	94%	0.944	81%	0.814	S	S	*	*			trans	-52.7	113	168.8	-86.1	170.9	-31.3	0	0	110.2
24	A	40.1	Very low	50.9	Low	91 Å²	91	153.9 Å²	153.9	75%	0.752	80%	0.799	S	S	*	*			trans	-124.2	137.6	163.8	0	0	0	0	0	108.3	K22	K22-A24 PolarHBondContact O-N 3.15Å; K22-A24 VanDerWaalsContact O-N 3.13Å
25	R	45.8	Very low	53.4	Low	246 Å²	246	160.8 Å²	160.8	93%	0.928	80%	0.803	S	S	*	*			trans	-40.1	130.6	-176.3	-65.6	167.2	176.4	174.7	-2.8	112.3	S27	R25-S27 PolarHBondContact O-N 3.09Å
26	F	49.5	Very low	56.2	Low	197 Å²	197	153.3 Å²	153.3	86%	0.864	79%	0.786	S	S	*	*			trans	-55.2	112	172.4	-84.1	-92.1	0	0	0	109.5
27	S	57.4	Low	58.8	Low	82 Å²	82	150.4 Å²	150.4	57%	0.573	77%	0.772	S	S	*	*			trans	-81.4	130.1	152.2	90.6	0	0	0	0	106.2	R25 R29	R25-S27 PolarHBondContact O-N 3.09Å; S27-R29 PolarHBondContact O-N 3.2Å; S27-R29 PolarHBondContact OG-O 3.29Å
28	D	60.7	Low	61.2	Low	169 Å²	169	147.6 Å²	147.6	90%	0.904	75%	0.752	S	S	*	*	S	Bend	trans	-64.6	20.1	175.6	-79.1	-30	0	0	0	113.8
29	R	58	Low	63.5	Low	221 Å²	221	148.2 Å²	148.2	83%	0.834	75%	0.746	S	S	*	*			trans	-122.9	116.1	178.5	-71.8	-178	170.3	174.4	-3.1	109.3	S27	S27-R29 PolarHBondContact O-N 3.2Å; S27-R29 PolarHBondContact OG-O 3.29Å
30	Q	75.9	Confident	66.2	Low	190 Å²	190	148.8 Å²	148.8	89%	0.888	74%	0.738	S	S	*	*			trans	-102.4	131.4	165.8	-67	-175.3	-10	0	0	108.6
31	S	75.9	Confident	68.9	Low	111 Å²	111	147.8 Å²	147.8	78%	0.776	72%	0.724	S	S	*	*			trans	-112.5	124	174.7	60.6	0	0	0	0	110
32	F	87.6	Confident	71.4	Confident	185 Å²	185	142.5 Å²	142.5	81%	0.811	69%	0.691	S	S	*	*			trans	-96.4	133.3	171.8	174	-105.7	0	0	0	110.1	C34	F32-C34 HydrophobicContact CE1-CB 3.71Å; F32-C34 HydrophobicContact CZ-CB 3.87Å
33	K	83.4	Confident	73.8	Confident	156 Å²	156	135.3 Å²	135.3	68%	0.678	67%	0.67	S	S	*	*			trans	-125.9	121.8	173.3	-71.4	-174	178.1	-176.4	0	109.2
34	C	88.5	Confident	76	Confident	59 Å²	59	127.2 Å²	127.2	40%	0.399	64%	0.641	S	S	.	*			trans	-102.6	111.2	177	-175.5	0	0	0	0	110.2	F32 T36 H37	F32-C34 HydrophobicContact CE1-CB 3.71Å; F32-C34 HydrophobicContact CZ-CB 3.87Å; C34-T36 VanDerWaalsContact C-N 3.34Å; C34-T36 PolarHBondContact SG-OG1 3.25Å; C34-H37 HydrophobicContact CB-CB 4.18Å
35	W	81.6	Confident	78.3	Confident	215 Å²	215	124.5 Å²	124.5	81%	0.814	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.3	-21.1	-176.6	-60.5	101.6	0	0	0	113.8
36	T	89	Confident	80.4	Confident	94 Å²	94	114.7 Å²	114.7	58%	0.577	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.6	-16.2	178.6	53.1	0	0	0	0	113.3	C34 F38 H39 S40	C34-T36 VanDerWaalsContact C-N 3.34Å; C34-T36 PolarHBondContact SG-OG1 3.25Å; T36-F38 VanDerWaalsContact C-N 3.29Å; T36-F38 PolarHBondContact O-N 3.43Å; T36-H39 PolarHBondContact O-N 2.64Å; T36-S40 PolarHBondContact O-N 2.82Å; T36-S40 VanDerWaalsContact O-N 3.1Å; T36-S40 PolarHBondContact O-OG 3.46Å
37	H	89.3	Confident	82.5	Confident	120 Å²	120	109.3 Å²	109.3	56%	0.556	56%	0.563	S	S	*	*	H	α-helix	trans	-57.3	-40.6	-176.1	179.7	60.2	0	0	0	112.8	C34 S40 L41	C34-H37 HydrophobicContact CB-CB 4.18Å; H37-S40 PolarHBondContact O-N 2.92Å; H37-L41 WeakPolarHBondContact O-CB 3.35Å; H37-L41 PolarHBondContact O-N 3.15Å
38	F	83.6	Confident	84.2	Confident	124 Å²	124	108 Å²	108	54%	0.544	55%	0.549	S	S	.	.	H	α-helix	trans	-63.1	-47	-180	-175.8	-94.3	0	0	0	112.4	T36 S40 L41 M42	T36-F38 VanDerWaalsContact C-N 3.29Å; T36-F38 PolarHBondContact O-N 3.43Å; F38-S40 VanDerWaalsContact C-N 3.35Å; F38-S40 PolarHBondContact O-N 2.9Å; F38-L41 PolarHBondContact O-N 3.05Å; F38-M42 HydrophobicContact CD1-CG 4.19Å; F38-M42 HydrophobicContact CE1-CG 3.77Å; F38-M42 HydrophobicContact CE2-CG 4.49Å; F38-M42 HydrophobicContact CZ-CG 3.94Å; F38-M42 HydrophobicContact CZ-SD 4.25Å; F38-M42 WeakPolarHBondContact O-CG 3.1Å; F38-M42 PolarHBondContact O-N 2.84Å
39	H	84.5	Confident	85.7	Confident	145 Å²	145	102 Å²	102	67%	0.671	51%	0.514	S	S	*	.	H	α-helix	trans	-62.7	-42.1	177.7	-70.8	88.2	0	0	0	111.6	T36 L41 M42 G43	T36-H39 PolarHBondContact O-N 2.64Å; H39-L41 VanDerWaalsContact C-N 3.34Å; H39-L41 PolarHBondContact O-N 2.9Å; H39-M42 PolarHBondContact O-N 2.81Å; H39-G43 PolarHBondContact O-N 3.16Å
40	S	88.4	Confident	87.2	Confident	85 Å²	85	98.4 Å²	98.4	59%	0.594	51%	0.506	S	S	*	.	H	α-helix	trans	-65.4	-35.8	175.8	-58.7	0	0	0	0	112.8	T36 H37 F38 G44	T36-S40 PolarHBondContact O-N 2.82Å; T36-S40 VanDerWaalsContact O-N 3.1Å; T36-S40 PolarHBondContact O-OG 3.46Å; H37-S40 PolarHBondContact O-N 2.92Å; F38-S40 VanDerWaalsContact C-N 3.35Å; F38-S40 PolarHBondContact O-N 2.9Å; S40-G44 PolarHBondContact O-N 2.86Å
41	L	89.7	Confident	87.9	Confident	86 Å²	86	92.8 Å²	92.8	45%	0.45	49%	0.488	S	S	.	.	H	α-helix	trans	-66.8	-47.7	175.8	179.3	63.9	0	0	0	111.4	H37 F38 H39 G44 L45	H37-L41 WeakPolarHBondContact O-CB 3.35Å; H37-L41 PolarHBondContact O-N 3.15Å; F38-L41 PolarHBondContact O-N 3.05Å; H39-L41 VanDerWaalsContact C-N 3.34Å; H39-L41 PolarHBondContact O-N 2.9Å; L41-G44 PolarHBondContact O-N 3.01Å; L41-G44 VanDerWaalsContact O-N 3.16Å; L41-L45 HydrophobicContact CG-CD1 4.28Å; L41-L45 WeakPolarHBondContact O-CG 3.49Å; L41-L45 PolarHBondContact O-N 3.27Å
42	M	87.6	Confident	88.6	Confident	27 Å²	27	89.5 Å²	89.5	13%	0.133	47%	0.472	C	S	.	.	H	α-helix	trans	-61.4	-44.8	177.7	-69.7	-55.8	-61.7	0	0	111.7	F38 H39 G44 L45 D46 I113 Y114	F38-M42 HydrophobicContact CD1-CG 4.19Å; F38-M42 HydrophobicContact CE1-CG 3.77Å; F38-M42 HydrophobicContact CE2-CG 4.49Å; F38-M42 HydrophobicContact CZ-CG 3.94Å; F38-M42 HydrophobicContact CZ-SD 4.25Å; F38-M42 WeakPolarHBondContact O-CG 3.1Å; F38-M42 PolarHBondContact O-N 2.84Å; H39-M42 PolarHBondContact O-N 2.81Å; M42-G44 VanDerWaalsContact C-N 3.27Å; M42-G44 PolarHBondContact O-N 2.86Å; M42-L45 PolarHBondContact O-N 2.79Å; M42-L45 VanDerWaalsContact O-N 3.13Å; M42-L45 HydrophobicContact SD-CD1 4.11Å; M42-D46 PolarHBondContact O-N 3.39Å; M42-I113 WeakPolarHBondContact CE-O 3.49Å; M42-Y114 WeakPolarHBondContact CE-O 3.33Å
43	G	88.1	Confident	88.8	Confident	36 Å²	36	83.5 Å²	83.5	37%	0.371	45%	0.45	S	S	.	.	H	α-helix	trans	-61.8	-34.1	174.6	0	0	0	0	0	113.3	H39 T47	H39-G43 PolarHBondContact O-N 3.16Å; G43-T47 PolarHBondContact O-N 3.21Å; G43-T47 VanDerWaalsContact O-N 3.08Å; G43-T47 PolarHBondContact O-OG1 3.21Å
44	G	90.8	Very high	89.1	Confident	33 Å²	33	82.4 Å²	82.4	34%	0.34	45%	0.451	S	S	.	.	H	α-helix	trans	-66.1	-42.2	172.5	0	0	0	0	0	113	S40 L41 M42 T47 L48	S40-G44 PolarHBondContact O-N 2.86Å; L41-G44 PolarHBondContact O-N 3.01Å; L41-G44 VanDerWaalsContact O-N 3.16Å; M42-G44 VanDerWaalsContact C-N 3.27Å; M42-G44 PolarHBondContact O-N 2.86Å; G44-T47 WeakPolarHBondContact O-CB 3.24Å; G44-T47 PolarHBondContact O-N 2.79Å; G44-L48 WeakPolarHBondContact O-CG 3.13Å; G44-L48 PolarHBondContact O-N 2.73Å
45	L	89.8	Confident	89.3	Confident	33 Å²	33	81.9 Å²	81.9	17%	0.173	44%	0.442	C	S	.	.	H	α-helix	trans	-65.9	-40.2	177.5	-71.5	167.7	0	0	0	112.3	L41 M42 L48 R49 L72 Y114	L41-L45 HydrophobicContact CG-CD1 4.28Å; L41-L45 WeakPolarHBondContact O-CG 3.49Å; L41-L45 PolarHBondContact O-N 3.27Å; M42-L45 PolarHBondContact O-N 2.79Å; M42-L45 VanDerWaalsContact O-N 3.13Å; M42-L45 HydrophobicContact SD-CD1 4.11Å; L45-L48 HydrophobicContact CD2-CD1 4.48Å; L45-L48 PolarHBondContact O-N 3.42Å; L45-R49 PolarHBondContact O-N 3.26Å; L45-L72 HydrophobicContact CD1-CD1 3.97Å; L45-Y114 HydrophobicContact CB-CD1 4.44Å
46	D	90.1	Very high	89.9	Confident	40 Å²	40	75.1 Å²	75.1	21%	0.214	42%	0.422	C	S	.	.	H	α-helix	trans	-63.1	-41.8	173.3	-176.9	41.1	0	0	0	111.6	M42 L48 R49 Q50	M42-D46 PolarHBondContact O-N 3.39Å; D46-L48 VanDerWaalsContact C-N 3.32Å; D46-L48 PolarHBondContact O-N 2.97Å; D46-R49 WeakPolarHBondContact O-CB 3.47Å; D46-R49 PolarHBondContact O-N 3.4Å; D46-R49 VanDerWaalsContact O-N 3.14Å; D46-Q50 VanDerWaalsContact CG-NE2 3.34Å; D46-Q50 WeakPolarHBondContact O-CG 3.47Å; D46-Q50 PolarHBondContact O-N 2.99Å; D46-Q50 PolarHBondContact OD1-NE2 3.01Å; D46-Q50 PolarHBondContact OD2-NE2 3.43Å
47	T	92.3	Very high	90.1	Very high	85 Å²	85	70.8 Å²	70.8	52%	0.521	40%	0.395	S	S	.	.	H	α-helix	trans	-60.6	-39.6	174.1	-55	0	0	0	0	112.2	G43 G44 Q50 S51	G43-T47 PolarHBondContact O-N 3.21Å; G43-T47 VanDerWaalsContact O-N 3.08Å; G43-T47 PolarHBondContact O-OG1 3.21Å; G44-T47 WeakPolarHBondContact O-CB 3.24Å; G44-T47 PolarHBondContact O-N 2.79Å; T47-Q50 PolarHBondContact O-N 2.85Å; T47-S51 WeakPolarHBondContact O-CB 3.27Å; T47-S51 PolarHBondContact O-N 2.86Å; T47-S51 PolarHBondContact O-OG 3.01Å
48	L	93	Very high	90.3	Very high	53 Å²	53	66.4 Å²	66.4	28%	0.277	38%	0.377	S	S	.	.	H	α-helix	trans	-63.8	-41.4	175.4	-71	172.8	0	0	0	111.6	G44 L45 D46 S51 G52 T53 L54	G44-L48 WeakPolarHBondContact O-CG 3.13Å; G44-L48 PolarHBondContact O-N 2.73Å; L45-L48 HydrophobicContact CD2-CD1 4.48Å; L45-L48 PolarHBondContact O-N 3.42Å; D46-L48 VanDerWaalsContact C-N 3.32Å; D46-L48 PolarHBondContact O-N 2.97Å; L48-S51 WeakPolarHBondContact CA-OG 3.41Å; L48-S51 PolarHBondContact O-N 3.38Å; L48-S51 PolarHBondContact O-OG 2.78Å; L48-S51 VanDerWaalsContact O-OG 3.09Å; L48-G52 PolarHBondContact O-N 3.19Å; L48-G52 VanDerWaalsContact O-N 3.15Å; L48-T53 WeakPolarHBondContact CD2-OG1 3.47Å; L48-T53 PolarHBondContact O-N 3.48Å; L48-T53 VanDerWaalsContact O-N 3.11Å; L48-T53 PolarHBondContact O-OG1 2.86Å; L48-L54 HydrophobicContact CD1-CD1 4.28Å; L48-L54 HydrophobicContact CD2-CD1 4.2Å
49	R	91.6	Very high	90.9	Very high	44 Å²	44	60.5 Å²	60.5	17%	0.166	35%	0.351	C	S	.	.	H	α-helix	trans	-61.6	-50	175	-176.6	-178.5	177.4	-169.9	-6.6	111.8	L45 D46 S51 G52 F55 L110 D111 Y114	L45-R49 PolarHBondContact O-N 3.26Å; D46-R49 WeakPolarHBondContact O-CB 3.47Å; D46-R49 PolarHBondContact O-N 3.4Å; D46-R49 VanDerWaalsContact O-N 3.14Å; R49-S51 VanDerWaalsContact C-N 3.27Å; R49-S51 PolarHBondContact O-N 3.42Å; R49-G52 PolarHBondContact O-N 3.34Å; R49-G52 VanDerWaalsContact O-N 3.11Å; R49-F55 HydrophobicContact CG-CE1 4.29Å; R49-F55 HydrophobicContact CG-CZ 4.19Å; R49-L110 PolarHBondContact NH1-O 3.33Å; R49-L110 VanDerWaalsContact NH1-O 3.16Å; R49-D111 IonicContact CZ-OD1 3.2Å; R49-D111 VanDerWaalsContact NH1-CA 3.26Å; R49-D111 VanDerWaalsContact NH1-N 3.16Å; R49-D111 IonicContact NH1-OD1 3.05Å; R49-D111 PolarHBondContact NH1-OD1 3.37Å; R49-D111 IonicContact NH2-OD1 2.76Å; R49-D111 PolarHBondContact NH2-OD1 3.45Å; R49-Y114 HydrophobicContact CB-CD1 3.86Å; R49-Y114 HydrophobicContact CB-CE1 3.7Å; R49-Y114 HydrophobicContact CG-CD1 4.37Å; R49-Y114 HydrophobicContact CG-CE1 4.17Å
50	Q	90	Very high	91.4	Very high	145 Å²	145	55.9 Å²	55.9	68%	0.678	33%	0.331	S	S	*	.	H	α-helix	trans	-63.5	-32.5	-179.2	-68.2	175.3	17.6	0	0	112.9	D46 T47 G52	D46-Q50 VanDerWaalsContact CG-NE2 3.34Å; D46-Q50 WeakPolarHBondContact O-CG 3.47Å; D46-Q50 PolarHBondContact O-N 2.99Å; D46-Q50 PolarHBondContact OD1-NE2 3.01Å; D46-Q50 PolarHBondContact OD2-NE2 3.43Å; T47-Q50 PolarHBondContact O-N 2.85Å; Q50-G52 VanDerWaalsContact C-N 3.33Å
51	S	91.9	Very high	91.7	Very high	72 Å²	72	51.8 Å²	51.8	50%	0.503	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-3.8	177.2	59.4	0	0	0	0	114.2	T47 L48 R49 T53	T47-S51 WeakPolarHBondContact O-CB 3.27Å; T47-S51 PolarHBondContact O-N 2.86Å; T47-S51 PolarHBondContact O-OG 3.01Å; L48-S51 WeakPolarHBondContact CA-OG 3.41Å; L48-S51 PolarHBondContact O-N 3.38Å; L48-S51 PolarHBondContact O-OG 2.78Å; L48-S51 VanDerWaalsContact O-OG 3.09Å; R49-S51 VanDerWaalsContact C-N 3.27Å; R49-S51 PolarHBondContact O-N 3.42Å; S51-T53 VanDerWaalsContact C-N 3.31Å; S51-T53 PolarHBondContact O-N 3.22Å; S51-T53 PolarHBondContact OG-OG1 2.93Å
52	G	89.9	Confident	91.8	Very high	42 Å²	42	54 Å²	54	43%	0.433	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.2	30.7	179.6	0	0	0	0	0	114.3	L48 R49 Q50 F55	L48-G52 PolarHBondContact O-N 3.19Å; L48-G52 VanDerWaalsContact O-N 3.15Å; R49-G52 PolarHBondContact O-N 3.34Å; R49-G52 VanDerWaalsContact O-N 3.11Å; Q50-G52 VanDerWaalsContact C-N 3.33Å; G52-F55 VanDerWaalsContact CA-CE2 3.45Å
53	T	91.2	Very high	91.9	Very high	59 Å²	59	56.1 Å²	56.1	36%	0.362	34%	0.339	S	S	.	.			trans	-105.3	147.9	-175.9	42.6	0	0	0	0	112.1	L48 S51 F55 H69	L48-T53 WeakPolarHBondContact CD2-OG1 3.47Å; L48-T53 PolarHBondContact O-N 3.48Å; L48-T53 VanDerWaalsContact O-N 3.11Å; L48-T53 PolarHBondContact O-OG1 2.86Å; S51-T53 VanDerWaalsContact C-N 3.31Å; S51-T53 PolarHBondContact O-N 3.22Å; S51-T53 PolarHBondContact OG-OG1 2.93Å; T53-F55 VanDerWaalsContact C-N 3.25Å; T53-F55 PolarHBondContact O-N 3.12Å; T53-H69 PolarHBondContact O-NE2 3.45Å
54	L	90.9	Very high	92.2	Very high	133 Å²	133	61.2 Å²	61.2	70%	0.696	35%	0.347	S	S	*	.	S	Bend	trans	63.5	14.8	174.2	-57.1	176.8	0	0	0	116.9	L48 D56 H69	L48-L54 HydrophobicContact CD1-CD1 4.28Å; L48-L54 HydrophobicContact CD2-CD1 4.2Å; L54-D56 PolarHBondContact O-N 3.44Å; L54-H69 PolarHBondContact O-CD2 3.42Å
55	F	92.9	Very high	92.4	Very high	49 Å²	49	63.7 Å²	63.7	22%	0.215	36%	0.357	C	S	.	.			trans	-60.5	131.2	171	-63.4	-46.2	0	0	0	112.2	R49 G52 T53 Q67 H69	R49-F55 HydrophobicContact CG-CE1 4.29Å; R49-F55 HydrophobicContact CG-CZ 4.19Å; G52-F55 VanDerWaalsContact CA-CE2 3.45Å; T53-F55 VanDerWaalsContact C-N 3.25Å; T53-F55 PolarHBondContact O-N 3.12Å; F55-Q67 HydrophobicContact CB-CB 4.06Å; F55-Q67 HydrophobicContact CD1-CB 4.1Å; F55-Q67 HydrophobicContact CD2-CB 3.31Å; F55-Q67 HydrophobicContact CD2-CG 4.08Å; F55-Q67 HydrophobicContact CE1-CB 4.33Å; F55-Q67 HydrophobicContact CE2-CB 3.53Å; F55-Q67 HydrophobicContact CE2-CG 4.4Å; F55-Q67 HydrophobicContact CG-CB 3.59Å; F55-Q67 HydrophobicContact CZ-CB 4.07Å; F55-H69 AromaticContact CD1-CE1 3.53Å; F55-H69 AromaticContact CD1-ND1 3.86Å; F55-H69 AromaticContact CD1-NE2 3.79Å; F55-H69 AromaticContact CE1-CE1 3.51Å; F55-H69 AromaticContact CE1-ND1 3.89Å
56	D	92.5	Very high	92.7	Very high	72 Å²	72	62.7 Å²	62.7	39%	0.385	35%	0.352	S	S	.	.			trans	-126.1	6.4	-175	63	-5.2	0	0	0	112.7	L54 A68 H69 R70	L54-D56 PolarHBondContact O-N 3.44Å; D56-A68 PolarHBondContact N-O 3.4Å; D56-H69 VanDerWaalsContact OD1-CA 3.27Å; D56-H69 WeakPolarHBondContact OD1-CA 3.42Å; D56-R70 PolarHBondContact O-NE 3.11Å; D56-R70 VanDerWaalsContact O-NE 3.16Å; D56-R70 WeakPolarHBondContact OD1-CG 3.41Å; D56-R70 PolarHBondContact OD1-N 3.15Å
57	V	93.6	Very high	92.9	Very high	3 Å²	3	66 Å²	66	2%	0.018	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	148.6	171.9	64.7	0	0	0	0	111.7	L59 A68 R70 L73 F84 I96	V57-L59 HydrophobicContact CG2-CD2 4.17Å; V57-A68 HydrophobicContact CG1-CB 4.1Å; V57-A68 PolarHBondContact N-O 3.09Å; V57-A68 PolarHBondContact O-N 3.16Å; V57-R70 HydrophobicContact CB-CG 3.69Å; V57-R70 HydrophobicContact CG1-CG 3.69Å; V57-R70 HydrophobicContact CG2-CG 4.49Å; V57-L73 HydrophobicContact CG1-CD1 4.21Å; V57-F84 HydrophobicContact CG2-CZ 4.29Å; V57-I96 HydrophobicContact CG2-CD1 3.65Å; V57-I96 HydrophobicContact CG2-CG1 4.15Å
58	V	94.9	Very high	93	Very high	28 Å²	28	61.9 Å²	61.9	17%	0.17	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	120.8	170.1	-177.3	0	0	0	0	108.6	P65 I66 Q67 N94 E95 I96	V58-P65 HydrophobicContact CG1-CB 3.5Å; V58-P65 VanDerWaalsContact CG1-CB 3.5Å; V58-I66 CarbonylContact C-O 3.58Å; V58-I66 WeakPolarHBondContact CA-O 3.42Å; V58-Q67 HydrophobicContact CG2-CG 4.35Å; V58-N94 PolarHBondContact N-O 3.16Å; V58-E95 HydrophobicContact CB-CG 4.03Å; V58-E95 HydrophobicContact CG1-CG 4.39Å; V58-E95 CarbonylContact O-C 3.58Å; V58-E95 WeakPolarHBondContact O-CA 3.18Å; V58-I96 PolarHBondContact O-N 3.03Å
59	L	94.6	Very high	93.1	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	123.3	173.7	-55.5	178.9	0	0	0	108.7	V57 P65 I66 L73 F80 I96 I98 M106	V57-L59 HydrophobicContact CG2-CD2 4.17Å; L59-P65 CarbonylContact O-C 3.59Å; L59-I66 PolarHBondContact N-O 3.27Å; L59-I66 PolarHBondContact O-N 3.17Å; L59-L73 HydrophobicContact CD1-CD1 4.04Å; L59-F80 HydrophobicContact CD1-CE1 4.39Å; L59-F80 HydrophobicContact CD1-CZ 4.18Å; L59-F80 HydrophobicContact CD2-CE1 4.21Å; L59-I96 CarbonylContact C-O 3.56Å; L59-I96 WeakPolarHBondContact CA-O 3.31Å; L59-I96 HydrophobicContact CD2-CB 4.37Å; L59-I98 HydrophobicContact CB-CG1 4.29Å; L59-I98 HydrophobicContact CD2-CD1 4.34Å; L59-I98 HydrophobicContact CD2-CG1 4.22Å; L59-M106 HydrophobicContact CD1-CE 3.37Å
60	L	94.9	Very high	93.1	Very high	48 Å²	48	59.5 Å²	59.5	25%	0.251	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	106.7	177	-71.1	169.1	0	0	0	109	P65 E95 I96 P97 I98	L60-P65 HydrophobicContact CD2-CB 3.99Å; L60-E95 HydrophobicContact CD1-CB 3.96Å; L60-I96 PolarHBondContact N-O 3.33Å; L60-P97 WeakPolarHBondContact O-CA 3.29Å; L60-I98 PolarHBondContact O-N 3.06Å
61	V	95	Very high	93.1	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	123.9	178.4	-173.8	0	0	0	0	108.4	G63 R64 I66 I98 I101 Y103 M106	V61-G63 PolarHBondContact O-N 3.04Å; V61-R64 PolarHBondContact N-O 3.42Å; V61-R64 WeakPolarHBondContact O-CB 3.44Å; V61-R64 PolarHBondContact O-N 3.11Å; V61-I66 HydrophobicContact CB-CD1 4.5Å; V61-I66 HydrophobicContact CG2-CD1 4.11Å; V61-I98 HydrophobicContact CG2-CB 4.12Å; V61-I101 HydrophobicContact CG1-CG1 3.98Å; V61-I101 WeakPolarHBondContact CG1-O 3.43Å; V61-Y103 HydrophobicContact CB-CD2 4.45Å; V61-M106 HydrophobicContact CG1-CB 4.45Å; V61-M106 HydrophobicContact CG2-CB 3.99Å; V61-M106 HydrophobicContact CG2-CG 3.84Å
62	E	92.9	Very high	93.1	Very high	133 Å²	133	54.7 Å²	54.7	62%	0.621	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	51	32.5	-176.3	-60.3	-176.4	124.9	0	0	113.7	R64 Y103	E62-R64 VanDerWaalsContact C-N 3.25Å; E62-R64 PolarHBondContact O-N 2.76Å; E62-Y103 PolarHBondContact OE2-N 2.88Å
63	G	88.6	Confident	93.2	Very high	70 Å²	70	52.7 Å²	52.7	72%	0.722	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.6	3.7	-177.5	0	0	0	0	0	115.1	V61	V61-G63 PolarHBondContact O-N 3.04Å
64	R	95.2	Very high	93.2	Very high	144 Å²	144	50.8 Å²	50.8	54%	0.543	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	132.2	176.5	-60.4	179.6	-175.6	-173.8	4.2	110.6	V61 E62 Y103	V61-R64 PolarHBondContact N-O 3.42Å; V61-R64 WeakPolarHBondContact O-CB 3.44Å; V61-R64 PolarHBondContact O-N 3.11Å; E62-R64 VanDerWaalsContact C-N 3.25Å; E62-R64 PolarHBondContact O-N 2.76Å; R64-Y103 HydrophobicContact CB-CD2 3.4Å; R64-Y103 VanDerWaalsContact CB-CD2 3.4Å; R64-Y103 HydrophobicContact CB-CE2 3.49Å; R64-Y103 VanDerWaalsContact CB-CE2 3.49Å; R64-Y103 HydrophobicContact CB-CG 4.31Å; R64-Y103 HydrophobicContact CG-CD2 4.16Å; R64-Y103 HydrophobicContact CG-CE2 4.43Å
65	P	95	Very high	93.2	Very high	85 Å²	85	48.4 Å²	48.4	55%	0.552	27%	0.274	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.8	134.2	-179.8	31.8	-33.1	0	0	0	112.2	V58 L59 L60	V58-P65 HydrophobicContact CG1-CB 3.5Å; V58-P65 VanDerWaalsContact CG1-CB 3.5Å; L59-P65 CarbonylContact O-C 3.59Å; L60-P65 HydrophobicContact CD2-CB 3.99Å
66	I	95.5	Very high	93	Very high	12 Å²	12	48.5 Å²	48.5	6%	0.062	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	120.5	171.4	-51.3	171.9	0	0	0	109	V58 L59 V61 Y103 M106 E107 L110	V58-I66 CarbonylContact C-O 3.58Å; V58-I66 WeakPolarHBondContact CA-O 3.42Å; L59-I66 PolarHBondContact N-O 3.27Å; L59-I66 PolarHBondContact O-N 3.17Å; V61-I66 HydrophobicContact CB-CD1 4.5Å; V61-I66 HydrophobicContact CG2-CD1 4.11Å; I66-Y103 HydrophobicContact CD1-CD2 3.75Å; I66-Y103 HydrophobicContact CD1-CE2 3.59Å; I66-Y103 HydrophobicContact CG1-CD2 3.93Å; I66-Y103 HydrophobicContact CG1-CE2 3.31Å; I66-M106 HydrophobicContact CD1-CB 3.98Å; I66-M106 HydrophobicContact CD1-CG 3.74Å; I66-E107 HydrophobicContact CD1-CG 4.22Å; I66-L110 HydrophobicContact CB-CD1 4.37Å; I66-L110 HydrophobicContact CD1-CD1 4.48Å; I66-L110 HydrophobicContact CG2-CD1 3.37Å
67	Q	94.7	Very high	92.9	Very high	108 Å²	108	45.5 Å²	45.5	51%	0.505	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	139.3	179.7	-55.3	-173.3	-65	0	0	111.1	F55 V58	F55-Q67 HydrophobicContact CB-CB 4.06Å; F55-Q67 HydrophobicContact CD1-CB 4.1Å; F55-Q67 HydrophobicContact CD2-CB 3.31Å; F55-Q67 HydrophobicContact CD2-CG 4.08Å; F55-Q67 HydrophobicContact CE1-CB 4.33Å; F55-Q67 HydrophobicContact CE2-CB 3.53Å; F55-Q67 HydrophobicContact CE2-CG 4.4Å; F55-Q67 HydrophobicContact CG-CB 3.59Å; F55-Q67 HydrophobicContact CZ-CB 4.07Å; V58-Q67 HydrophobicContact CG2-CG 4.35Å
68	A	94.7	Very high	92.6	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	177.1	-177.8	0	0	0	0	0	112.8	D56 V57 L73 L110	D56-A68 PolarHBondContact N-O 3.4Å; V57-A68 HydrophobicContact CG1-CB 4.1Å; V57-A68 PolarHBondContact N-O 3.09Å; V57-A68 PolarHBondContact O-N 3.16Å; A68-L73 HydrophobicContact CB-CD1 3.82Å; A68-L73 HydrophobicContact CB-CG 4.42Å; A68-L110 HydrophobicContact CB-CD2 4.46Å
69	H	93.8	Very high	92.4	Very high	11 Å²	11	50.9 Å²	50.9	5%	0.051	29%	0.289	C	S	.	.			trans	-108.2	116.4	176.7	-59.7	98	0	0	0	110.4	T53 L54 F55 D56 V71 L72 L73 Y114	T53-H69 PolarHBondContact O-NE2 3.45Å; L54-H69 PolarHBondContact O-CD2 3.42Å; F55-H69 AromaticContact CD1-CE1 3.53Å; F55-H69 AromaticContact CD1-ND1 3.86Å; F55-H69 AromaticContact CD1-NE2 3.79Å; F55-H69 AromaticContact CE1-CE1 3.51Å; F55-H69 AromaticContact CE1-ND1 3.89Å; D56-H69 VanDerWaalsContact OD1-CA 3.27Å; D56-H69 WeakPolarHBondContact OD1-CA 3.42Å; H69-V71 VanDerWaalsContact C-N 3.27Å; H69-V71 PolarHBondContact O-N 3.34Å; H69-L72 HydrophobicContact CB-CB 4.25Å; H69-L72 PolarHBondContact O-N 2.85Å; H69-L72 VanDerWaalsContact O-N 3.16Å; H69-L73 WeakPolarHBondContact O-CG 3.4Å; H69-L73 PolarHBondContact O-N 3.03Å; H69-L73 VanDerWaalsContact O-N 3.12Å; H69-Y114 PolarHBondContact N-OH 3.05Å; H69-Y114 AromaticContact ND1-CE1 3.54Å; H69-Y114 AromaticContact ND1-CZ 3.55Å; H69-Y114 PolarHBondContact ND1-OH 3Å
70	R	91.5	Very high	92.2	Very high	35 Å²	35	50.9 Å²	50.9	13%	0.132	29%	0.289	C	S	.	.	H	α-helix	trans	-54.1	-43.2	-179.5	-71.9	169.5	162.4	-93.5	-4.8	112.2	D56 V57 L72 L73 A74 F84 E90 M91 Q93	D56-R70 PolarHBondContact O-NE 3.11Å; D56-R70 VanDerWaalsContact O-NE 3.16Å; D56-R70 WeakPolarHBondContact OD1-CG 3.41Å; D56-R70 PolarHBondContact OD1-N 3.15Å; V57-R70 HydrophobicContact CB-CG 3.69Å; V57-R70 HydrophobicContact CG1-CG 3.69Å; V57-R70 HydrophobicContact CG2-CG 4.49Å; R70-L72 VanDerWaalsContact C-N 3.32Å; R70-L72 PolarHBondContact O-N 2.81Å; R70-L73 PolarHBondContact O-N 3.27Å; R70-A74 VanDerWaalsContact O-CB 3.24Å; R70-A74 WeakPolarHBondContact O-CB 3.36Å; R70-A74 PolarHBondContact O-N 2.95Å; R70-F84 HydrophobicContact CB-CD2 3.87Å; R70-F84 HydrophobicContact CB-CE2 4.2Å; R70-F84 HydrophobicContact CB-CG 4.35Å; R70-F84 HydrophobicContact CG-CD2 4.05Å; R70-F84 HydrophobicContact CG-CE2 4.1Å; R70-F84 HydrophobicContact CG-CG 4.29Å; R70-F84 HydrophobicContact CG-CZ 4.4Å; R70-F84 VanDerWaalsContact NH1-CD1 3.29Å; R70-E90 PolarHBondContact NH2-O 3.05Å; R70-M91 PolarHBondContact NH1-O 3.14Å; R70-M91 VanDerWaalsContact NH1-O 3.15Å; R70-M91 PolarHBondContact NH2-O 3.36Å; R70-Q93 PolarHBondContact NH2-O 2.95Å
71	V	90.6	Very high	92	Very high	105 Å²	105	54.9 Å²	54.9	64%	0.636	30%	0.301	S	S	*	.	H	α-helix	trans	-62.3	-40.6	-177.8	66.5	0	0	0	0	111.8	H69 A75	H69-V71 VanDerWaalsContact C-N 3.27Å; H69-V71 PolarHBondContact O-N 3.34Å; V71-A75 WeakPolarHBondContact O-CB 3.27Å; V71-A75 PolarHBondContact O-N 2.99Å
72	L	91.4	Very high	91.6	Very high	12 Å²	12	58.2 Å²	58.2	6%	0.063	32%	0.323	C	S	.	.	H	α-helix	trans	-71.9	-45.3	-179.8	-173.1	62.1	0	0	0	110.4	L45 H69 R70 A74 A75 S76 I113 Y114	L45-L72 HydrophobicContact CD1-CD1 3.97Å; H69-L72 HydrophobicContact CB-CB 4.25Å; H69-L72 PolarHBondContact O-N 2.85Å; H69-L72 VanDerWaalsContact O-N 3.16Å; R70-L72 VanDerWaalsContact C-N 3.32Å; R70-L72 PolarHBondContact O-N 2.81Å; L72-A74 PolarHBondContact O-N 3.28Å; L72-A75 PolarHBondContact O-N 3.1Å; L72-S76 VanDerWaalsContact O-CB 3.31Å; L72-S76 WeakPolarHBondContact O-CB 3.42Å; L72-S76 PolarHBondContact O-N 3.4Å; L72-S76 PolarHBondContact O-OG 3.4Å; L72-S76 VanDerWaalsContact O-OG 3.06Å; L72-I113 HydrophobicContact CD1-CG2 4.48Å; L72-I113 HydrophobicContact CD2-CG2 3.82Å; L72-I113 HydrophobicContact CG-CG2 3.65Å; L72-Y114 HydrophobicContact CD2-CD1 3.44Å; L72-Y114 VanDerWaalsContact CD2-CD1 3.44Å; L72-Y114 HydrophobicContact CD2-CD2 3.74Å; L72-Y114 HydrophobicContact CD2-CE1 3.36Å; L72-Y114 HydrophobicContact CD2-CE2 3.71Å; L72-Y114 HydrophobicContact CD2-CG 3.65Å
73	L	92.3	Very high	91.4	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-57.4	-48	175.5	-67.6	178.9	0	0	0	112.1	V57 L59 A68 H69 R70 A75 S76 C77 F80 F84 L110 I113	V57-L73 HydrophobicContact CG1-CD1 4.21Å; L59-L73 HydrophobicContact CD1-CD1 4.04Å; A68-L73 HydrophobicContact CB-CD1 3.82Å; A68-L73 HydrophobicContact CB-CG 4.42Å; H69-L73 WeakPolarHBondContact O-CG 3.4Å; H69-L73 PolarHBondContact O-N 3.03Å; H69-L73 VanDerWaalsContact O-N 3.12Å; R70-L73 PolarHBondContact O-N 3.27Å; L73-A75 VanDerWaalsContact C-N 3.33Å; L73-A75 PolarHBondContact O-N 2.9Å; L73-S76 PolarHBondContact O-N 3.42Å; L73-C77 PolarHBondContact O-N 3.46Å; L73-F80 HydrophobicContact CB-CB 3.76Å; L73-F80 HydrophobicContact CB-CD2 3.78Å; L73-F80 HydrophobicContact CB-CG 3.77Å; L73-F80 HydrophobicContact CD1-CD1 4.44Å; L73-F80 HydrophobicContact CD1-CD2 4.45Å; L73-F80 HydrophobicContact CD1-CG 4.42Å; L73-F80 HydrophobicContact CD2-CD2 3.9Å; L73-F80 HydrophobicContact CD2-CE2 3.97Å; L73-F80 HydrophobicContact CG-CD2 4.25Å; L73-F80 HydrophobicContact CG-CG 4.49Å; L73-F84 HydrophobicContact CB-CD2 4.47Å; L73-F84 HydrophobicContact CB-CE2 3.84Å; L73-F84 HydrophobicContact CD1-CE2 3.83Å; L73-F84 HydrophobicContact CD1-CZ 4.24Å; L73-F84 HydrophobicContact CG-CE2 4.49Å; L73-L110 HydrophobicContact CD2-CD2 3.51Å; L73-I113 HydrophobicContact CD2-CD1 3.88Å
74	A	91.4	Very high	91.4	Very high	18 Å²	18	50.1 Å²	50.1	15%	0.149	27%	0.266	C	S	.	.	H	α-helix	trans	-70.3	-26.8	178.9	0	0	0	0	0	113.7	R70 L72 R81 F84	R70-A74 VanDerWaalsContact O-CB 3.24Å; R70-A74 WeakPolarHBondContact O-CB 3.36Å; R70-A74 PolarHBondContact O-N 2.95Å; L72-A74 PolarHBondContact O-N 3.28Å; A74-R81 HydrophobicContact CB-CB 4.38Å; A74-R81 WeakPolarHBondContact O-CB 3.49Å; A74-R81 WeakPolarHBondContact O-CG 3.46Å; A74-F84 HydrophobicContact CB-CD2 4.25Å
75	A	90.4	Very high	90.9	Very high	83 Å²	83	46.7 Å²	46.7	69%	0.686	27%	0.269	S	S	*	.	H	α-helix	trans	-77.5	-31.8	174.3	0	0	0	0	0	112.1	V71 L72 L73	V71-A75 WeakPolarHBondContact O-CB 3.27Å; V71-A75 PolarHBondContact O-N 2.99Å; L72-A75 PolarHBondContact O-N 3.1Å; L73-A75 VanDerWaalsContact C-N 3.33Å; L73-A75 PolarHBondContact O-N 2.9Å
76	S	89.3	Confident	90.1	Very high	51 Å²	51	45.3 Å²	45.3	36%	0.357	27%	0.27	S	S	.	.	H	α-helix	trans	-94.1	-24.5	-173	-61.5	0	0	0	0	114.5	L72 L73	L72-S76 VanDerWaalsContact O-CB 3.31Å; L72-S76 WeakPolarHBondContact O-CB 3.42Å; L72-S76 PolarHBondContact O-N 3.4Å; L72-S76 PolarHBondContact O-OG 3.4Å; L72-S76 VanDerWaalsContact O-OG 3.06Å; L73-S76 PolarHBondContact O-N 3.42Å
77	C	89.9	Confident	89.2	Confident	9 Å²	9	47.7 Å²	47.7	6%	0.061	30%	0.297	C	S	.	.			trans	-144.1	145.9	174.7	95.7	0	0	0	0	114.3	L73 Y79 F80 R81 L137	L73-C77 PolarHBondContact O-N 3.46Å; C77-Y79 VanDerWaalsContact C-N 3.32Å; C77-Y79 PolarHBondContact O-N 3.45Å; C77-F80 PolarHBondContact O-N 3.48Å; C77-F80 WeakPolarHBondContact SG-CD2 3.46Å; C77-F80 PolarHBondContact SG-N 3.36Å; C77-F80 VanDerWaalsContact SG-N 3.37Å; C77-R81 WeakPolarHBondContact O-CB 3.34Å; C77-R81 PolarHBondContact O-N 3Å; C77-L137 HydrophobicContact CB-CD2 3.67Å; C77-L137 HydrophobicContact CB-CG 4.43Å
78	D	87.7	Confident	88.5	Confident	75 Å²	75	46.9 Å²	46.9	40%	0.401	30%	0.296	S	S	.	.	H	α-helix	trans	-69.1	-29	-177.1	-85.7	-38.5	0	0	0	113.3	R81 C82	D78-R81 PolarHBondContact O-N 3Å; D78-R81 IonicContact OD1-CZ 3.87Å; D78-R81 IonicContact OD1-NE 3.66Å; D78-R81 PolarHBondContact OD1-NE 2.76Å; D78-R81 IonicContact OD1-NH2 2.78Å; D78-R81 PolarHBondContact OD1-NH2 3.34Å; D78-C82 WeakPolarHBondContact O-CB 3.24Å; D78-C82 PolarHBondContact O-N 2.91Å; D78-C82 PolarHBondContact O-SG 3.16Å
79	Y	90.3	Very high	87.6	Confident	69 Å²	69	56.6 Å²	56.6	27%	0.271	33%	0.333	S	S	.	.	H	α-helix	trans	-58.4	-53.4	174.7	176.8	-90.8	0	0	0	111.2	C77 R81 C82 M83 I98 L134 F135	C77-Y79 VanDerWaalsContact C-N 3.32Å; C77-Y79 PolarHBondContact O-N 3.45Å; Y79-R81 VanDerWaalsContact C-N 3.34Å; Y79-C82 PolarHBondContact O-N 2.89Å; Y79-M83 HydrophobicContact CD1-CE 4.31Å; Y79-M83 HydrophobicContact CE1-CE 3.38Å; Y79-M83 WeakPolarHBondContact O-CB 3.45Å; Y79-M83 PolarHBondContact O-N 3.32Å; Y79-M83 WeakPolarHBondContact OH-CE 3.22Å; Y79-I98 HydrophobicContact CE1-CD1 4.3Å; Y79-L134 HydrophobicContact CE2-CD1 4.38Å; Y79-F135 AromaticContact CD1-CD1 3.51Å; Y79-F135 HydrophobicContact CD1-CD1 3.51Å; Y79-F135 AromaticContact CD1-CE1 3.74Å; Y79-F135 HydrophobicContact CD1-CE1 3.74Å; Y79-F135 AromaticContact CE1-CD1 3.98Å; Y79-F135 HydrophobicContact CE1-CD1 3.98Å; Y79-F135 AromaticContact CE1-CE1 3.73Å; Y79-F135 HydrophobicContact CE1-CE1 3.73Å; Y79-F135 AromaticContact CG-CD1 3.84Å; Y79-F135 HydrophobicContact CG-CD1 3.84Å; Y79-F135 HydrophobicContact CG-CE1 4.43Å
80	F	91.4	Very high	86.9	Confident	0 Å²	0	59 Å²	59	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-71.5	-30.3	177.6	-70.4	-56.8	0	0	0	112.3	L59 L73 C77 M83 F84 I98 M106 F135	L59-F80 HydrophobicContact CD1-CE1 4.39Å; L59-F80 HydrophobicContact CD1-CZ 4.18Å; L59-F80 HydrophobicContact CD2-CE1 4.21Å; L73-F80 HydrophobicContact CB-CB 3.76Å; L73-F80 HydrophobicContact CB-CD2 3.78Å; L73-F80 HydrophobicContact CB-CG 3.77Å; L73-F80 HydrophobicContact CD1-CD1 4.44Å; L73-F80 HydrophobicContact CD1-CD2 4.45Å; L73-F80 HydrophobicContact CD1-CG 4.42Å; L73-F80 HydrophobicContact CD2-CD2 3.9Å; L73-F80 HydrophobicContact CD2-CE2 3.97Å; L73-F80 HydrophobicContact CG-CD2 4.25Å; L73-F80 HydrophobicContact CG-CG 4.49Å; C77-F80 PolarHBondContact O-N 3.48Å; C77-F80 WeakPolarHBondContact SG-CD2 3.46Å; C77-F80 PolarHBondContact SG-N 3.36Å; C77-F80 VanDerWaalsContact SG-N 3.37Å; F80-M83 HydrophobicContact CD1-SD 4.1Å; F80-M83 HydrophobicContact CE1-SD 4.37Å; F80-M83 PolarHBondContact O-N 3.47Å; F80-F84 HydrophobicContact CB-CD2 4.12Å; F80-F84 HydrophobicContact CB-CE2 3.87Å; F80-F84 AromaticContact CD1-CE2 3.83Å; F80-F84 HydrophobicContact CD1-CE2 3.83Å; F80-F84 AromaticContact CD1-CZ 3.74Å; F80-F84 HydrophobicContact CD1-CZ 3.74Å; F80-F84 HydrophobicContact CE1-CZ 4.44Å; F80-F84 HydrophobicContact CG-CE2 4.11Å; F80-F84 HydrophobicContact CG-CZ 4.48Å; F80-F84 WeakPolarHBondContact O-CB 3.15Å; F80-F84 WeakPolarHBondContact O-CD2 3.43Å; F80-F84 WeakPolarHBondContact O-CG 3.34Å; F80-F84 PolarHBondContact O-N 2.66Å; F80-I98 HydrophobicContact CE1-CD1 4.07Å; F80-M106 HydrophobicContact CE2-CE 4.16Å; F80-M106 HydrophobicContact CZ-CE 3.89Å; F80-F135 HydrophobicContact CE1-CE1 4.42Å; F80-F135 HydrophobicContact CE2-CD1 4.03Å; F80-F135 AromaticContact CE2-CE1 3.93Å; F80-F135 HydrophobicContact CE2-CE1 3.93Å; F80-F135 HydrophobicContact CE2-CG 4.45Å; F80-F135 HydrophobicContact CE2-CZ 4.25Å; F80-F135 HydrophobicContact CZ-CD1 4.13Å; F80-F135 AromaticContact CZ-CE1 3.59Å; F80-F135 HydrophobicContact CZ-CE1 3.59Å; F80-F135 AromaticContact CZ-CZ 3.91Å; F80-F135 HydrophobicContact CZ-CZ 3.91Å
81	R	89.9	Confident	86.4	Confident	133 Å²	133	60.8 Å²	60.8	50%	0.502	35%	0.354	S	S	.	.	H	α-helix	trans	-60.5	-47.5	172.7	-163.8	171.6	65.6	104.3	-2.8	111.3	A74 C77 D78 Y79 M83 A85	A74-R81 HydrophobicContact CB-CB 4.38Å; A74-R81 WeakPolarHBondContact O-CB 3.49Å; A74-R81 WeakPolarHBondContact O-CG 3.46Å; C77-R81 WeakPolarHBondContact O-CB 3.34Å; C77-R81 PolarHBondContact O-N 3Å; D78-R81 PolarHBondContact O-N 3Å; D78-R81 IonicContact OD1-CZ 3.87Å; D78-R81 IonicContact OD1-NE 3.66Å; D78-R81 PolarHBondContact OD1-NE 2.76Å; D78-R81 IonicContact OD1-NH2 2.78Å; D78-R81 PolarHBondContact OD1-NH2 3.34Å; Y79-R81 VanDerWaalsContact C-N 3.34Å; R81-M83 VanDerWaalsContact C-N 3.34Å; R81-A85 WeakPolarHBondContact O-CA 3.48Å; R81-A85 VanDerWaalsContact O-CB 3.27Å; R81-A85 WeakPolarHBondContact O-CB 3.39Å; R81-A85 PolarHBondContact O-N 3.06Å
82	C	87.1	Confident	85.8	Confident	69 Å²	69	64.1 Å²	64.1	47%	0.466	36%	0.363	S	S	.	.	H	α-helix	trans	-62.4	-42.7	174.8	-67.6	0	0	0	0	111.2	D78 Y79 G86	D78-C82 WeakPolarHBondContact O-CB 3.24Å; D78-C82 PolarHBondContact O-N 2.91Å; D78-C82 PolarHBondContact O-SG 3.16Å; Y79-C82 PolarHBondContact O-N 2.89Å; C82-G86 WeakPolarHBondContact O-CA 3.4Å; C82-G86 PolarHBondContact O-N 2.67Å
83	M	88.9	Confident	85.6	Confident	14 Å²	14	66.7 Å²	66.7	7%	0.069	38%	0.375	C	S	.	.	H	α-helix	trans	-62	-46.3	179.1	-170.2	178.6	-76.5	0	0	113.4	Y79 F80 R81 E90 I96 I98	Y79-M83 HydrophobicContact CD1-CE 4.31Å; Y79-M83 HydrophobicContact CE1-CE 3.38Å; Y79-M83 WeakPolarHBondContact O-CB 3.45Å; Y79-M83 PolarHBondContact O-N 3.32Å; Y79-M83 WeakPolarHBondContact OH-CE 3.22Å; F80-M83 HydrophobicContact CD1-SD 4.1Å; F80-M83 HydrophobicContact CE1-SD 4.37Å; F80-M83 PolarHBondContact O-N 3.47Å; R81-M83 VanDerWaalsContact C-N 3.34Å; M83-E90 HydrophobicContact CG-CB 3.56Å; M83-E90 HydrophobicContact CG-CG 4.07Å; M83-E90 HydrophobicContact SD-CB 4.28Å; M83-E90 HydrophobicContact SD-CG 4.43Å; M83-I96 HydrophobicContact CE-CG2 4.33Å; M83-I96 HydrophobicContact SD-CD1 4.2Å; M83-I96 HydrophobicContact SD-CG2 3.75Å; M83-I98 HydrophobicContact CE-CD1 4.12Å
84	F	89.3	Confident	85.3	Confident	19 Å²	19	72.7 Å²	72.7	8%	0.083	41%	0.407	C	S	.	.	H	α-helix	trans	-95.4	-22.1	-172	-57.2	-29.1	0	0	0	114.2	V57 R70 L73 A74 F80 M91 I96	V57-F84 HydrophobicContact CG2-CZ 4.29Å; R70-F84 HydrophobicContact CB-CD2 3.87Å; R70-F84 HydrophobicContact CB-CE2 4.2Å; R70-F84 HydrophobicContact CB-CG 4.35Å; R70-F84 HydrophobicContact CG-CD2 4.05Å; R70-F84 HydrophobicContact CG-CE2 4.1Å; R70-F84 HydrophobicContact CG-CG 4.29Å; R70-F84 HydrophobicContact CG-CZ 4.4Å; R70-F84 VanDerWaalsContact NH1-CD1 3.29Å; L73-F84 HydrophobicContact CB-CD2 4.47Å; L73-F84 HydrophobicContact CB-CE2 3.84Å; L73-F84 HydrophobicContact CD1-CE2 3.83Å; L73-F84 HydrophobicContact CD1-CZ 4.24Å; L73-F84 HydrophobicContact CG-CE2 4.49Å; A74-F84 HydrophobicContact CB-CD2 4.25Å; F80-F84 HydrophobicContact CB-CD2 4.12Å; F80-F84 HydrophobicContact CB-CE2 3.87Å; F80-F84 AromaticContact CD1-CE2 3.83Å; F80-F84 HydrophobicContact CD1-CE2 3.83Å; F80-F84 AromaticContact CD1-CZ 3.74Å; F80-F84 HydrophobicContact CD1-CZ 3.74Å; F80-F84 HydrophobicContact CE1-CZ 4.44Å; F80-F84 HydrophobicContact CG-CE2 4.11Å; F80-F84 HydrophobicContact CG-CZ 4.48Å; F80-F84 WeakPolarHBondContact O-CB 3.15Å; F80-F84 WeakPolarHBondContact O-CD2 3.43Å; F80-F84 WeakPolarHBondContact O-CG 3.34Å; F80-F84 PolarHBondContact O-N 2.66Å; F84-M91 VanDerWaalsContact O-CE 3.24Å; F84-M91 WeakPolarHBondContact O-CE 3.23Å; F84-M91 WeakPolarHBondContact O-CG 3.45Å; F84-I96 HydrophobicContact CD1-CD1 4.31Å; F84-I96 HydrophobicContact CE1-CD1 3.4Å; F84-I96 HydrophobicContact CZ-CD1 4.15Å
85	A	84.1	Confident	85.3	Confident	73 Å²	73	77.7 Å²	77.7	60%	0.603	43%	0.427	S	S	*	.	H	α-helix	trans	-119.8	-5.8	-178.4	0	0	0	0	0	114	R81	R81-A85 WeakPolarHBondContact O-CA 3.48Å; R81-A85 VanDerWaalsContact O-CB 3.27Å; R81-A85 WeakPolarHBondContact O-CB 3.39Å; R81-A85 PolarHBondContact O-N 3.06Å
86	G	78	Confident	85.4	Confident	55 Å²	55	73.8 Å²	73.8	57%	0.567	40%	0.395	S	S	*	.	S	Bend	trans	-91.3	6.9	-175.6	0	0	0	0	0	116.3	C82	C82-G86 WeakPolarHBondContact O-CA 3.4Å; C82-G86 PolarHBondContact O-N 2.67Å
87	G	75.9	Confident	85.5	Confident	62 Å²	62	74.3 Å²	74.3	64%	0.639	40%	0.397	S	S	*	.			trans	80.5	15	178.7	0	0	0	0	0	115.1
88	L	80.8	Confident	85.6	Confident	91 Å²	91	74 Å²	74	48%	0.476	40%	0.395	S	S	.	.			trans	-72.6	161.9	175	-69.4	173.1	0	0	0	111.8	E90 M91	L88-E90 WeakPolarHBondContact CB-OE2 3.39Å; L88-E90 PolarHBondContact O-N 2.78Å; L88-M91 WeakPolarHBondContact O-CB 3.48Å; L88-M91 PolarHBondContact O-N 3.16Å; L88-M91 VanDerWaalsContact O-N 3.09Å
89	R	76.4	Confident	85.7	Confident	205 Å²	205	77.5 Å²	77.5	77%	0.774	41%	0.409	S	S	*	.	G	3₁₀ helix	trans	-65.4	-30.9	-174.5	-167.5	176.8	178.2	179.6	-2.1	111.8	M91 Q92	R89-M91 PolarHBondContact O-N 2.96Å; R89-Q92 PolarHBondContact O-N 3.29Å; R89-Q92 VanDerWaalsContact O-N 3.15Å
90	E	79.3	Confident	85.6	Confident	62 Å²	62	77 Å²	77	29%	0.29	43%	0.425	S	S	.	.	G	3₁₀ helix	trans	-58.5	-23.1	175.1	-67.1	80.4	176.4	0	0	112.3	R70 M83 L88 Q92 Q93 I96	R70-E90 PolarHBondContact NH2-O 3.05Å; M83-E90 HydrophobicContact CG-CB 3.56Å; M83-E90 HydrophobicContact CG-CG 4.07Å; M83-E90 HydrophobicContact SD-CB 4.28Å; M83-E90 HydrophobicContact SD-CG 4.43Å; L88-E90 WeakPolarHBondContact CB-OE2 3.39Å; L88-E90 PolarHBondContact O-N 2.78Å; E90-Q92 PolarHBondContact O-N 2.92Å; E90-Q93 PolarHBondContact O-N 3.48Å; E90-I96 HydrophobicContact CB-CD1 4.15Å; E90-I96 HydrophobicContact CG-CG2 4.21Å
91	M	79.3	Confident	85.7	Confident	71 Å²	71	77.5 Å²	77.5	35%	0.35	43%	0.427	S	S	.	.	G	3₁₀ helix	trans	-56.2	-33.5	173.4	-176.9	-177	-76.5	0	0	112.2	R70 F84 L88 R89	R70-M91 PolarHBondContact NH1-O 3.14Å; R70-M91 VanDerWaalsContact NH1-O 3.15Å; R70-M91 PolarHBondContact NH2-O 3.36Å; F84-M91 VanDerWaalsContact O-CE 3.24Å; F84-M91 WeakPolarHBondContact O-CE 3.23Å; F84-M91 WeakPolarHBondContact O-CG 3.45Å; L88-M91 WeakPolarHBondContact O-CB 3.48Å; L88-M91 PolarHBondContact O-N 3.16Å; L88-M91 VanDerWaalsContact O-N 3.09Å; R89-M91 PolarHBondContact O-N 2.96Å
92	Q	78.8	Confident	85.9	Confident	176 Å²	176	71.6 Å²	71.6	82%	0.822	41%	0.406	S	S	*	.	G	3₁₀ helix	trans	-104.5	2.5	-176.4	-61.8	-175.9	-4.4	0	0	113.6	R89 E90	R89-Q92 PolarHBondContact O-N 3.29Å; R89-Q92 VanDerWaalsContact O-N 3.15Å; E90-Q92 PolarHBondContact O-N 2.92Å
93	Q	86.3	Confident	86.3	Confident	66 Å²	66	70.3 Å²	70.3	31%	0.308	39%	0.392	S	S	.	.			trans	-96.2	134.7	-176.4	-69.8	179.8	-35.7	0	0	112	R70 E90 I96	R70-Q93 PolarHBondContact NH2-O 2.95Å; E90-Q93 PolarHBondContact O-N 3.48Å; Q93-I96 HydrophobicContact CB-CG1 4.2Å
94	N	85.9	Confident	86.5	Confident	125 Å²	125	73.2 Å²	73.2	67%	0.668	41%	0.41	S	S	*	.	S	Bend	trans	-80.5	-26.3	175.7	-67.9	-15.1	0	0	0	112.5	V58	V58-N94 PolarHBondContact N-O 3.16Å
95	E	92.8	Very high	86.8	Confident	123 Å²	123	72.3 Å²	72.3	58%	0.575	41%	0.407	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.9	127	178.6	-72.7	176.8	-162.5	0	0	109.6	V58 L60	V58-E95 HydrophobicContact CB-CG 4.03Å; V58-E95 HydrophobicContact CG1-CG 4.39Å; V58-E95 CarbonylContact O-C 3.58Å; V58-E95 WeakPolarHBondContact O-CA 3.18Å; L60-E95 HydrophobicContact CD1-CB 3.96Å
96	I	92.2	Very high	87.4	Confident	1 Å²	1	68.9 Å²	68.9	1%	0.005	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	116.8	-172.2	-58.8	178.1	0	0	0	109.4	V57 V58 L59 L60 M83 F84 E90 Q93 I98	V57-I96 HydrophobicContact CG2-CD1 3.65Å; V57-I96 HydrophobicContact CG2-CG1 4.15Å; V58-I96 PolarHBondContact O-N 3.03Å; L59-I96 CarbonylContact C-O 3.56Å; L59-I96 WeakPolarHBondContact CA-O 3.31Å; L59-I96 HydrophobicContact CD2-CB 4.37Å; L60-I96 PolarHBondContact N-O 3.33Å; M83-I96 HydrophobicContact CE-CG2 4.33Å; M83-I96 HydrophobicContact SD-CD1 4.2Å; M83-I96 HydrophobicContact SD-CG2 3.75Å; F84-I96 HydrophobicContact CD1-CD1 4.31Å; F84-I96 HydrophobicContact CE1-CD1 3.4Å; F84-I96 HydrophobicContact CZ-CD1 4.15Å; E90-I96 HydrophobicContact CB-CD1 4.15Å; E90-I96 HydrophobicContact CG-CG2 4.21Å; Q93-I96 HydrophobicContact CB-CG1 4.2Å; I96-I98 HydrophobicContact CG2-CD1 4.13Å; I96-I98 PolarHBondContact O-N 2.81Å
97	P	91.4	Very high	88.2	Confident	63 Å²	63	69.6 Å²	69.6	41%	0.409	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	127.6	175.8	30.6	-32.9	0	0	0	110.5	L60	L60-P97 WeakPolarHBondContact O-CA 3.29Å
98	I	91.9	Very high	89.1	Confident	3 Å²	3	69.4 Å²	69.4	2%	0.015	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	124.4	170.6	-53.5	-62.5	0	0	0	107.6	L59 L60 V61 Y79 F80 M83 I96 I101 F135	L59-I98 HydrophobicContact CB-CG1 4.29Å; L59-I98 HydrophobicContact CD2-CD1 4.34Å; L59-I98 HydrophobicContact CD2-CG1 4.22Å; L60-I98 PolarHBondContact O-N 3.06Å; V61-I98 HydrophobicContact CG2-CB 4.12Å; Y79-I98 HydrophobicContact CE1-CD1 4.3Å; F80-I98 HydrophobicContact CE1-CD1 4.07Å; M83-I98 HydrophobicContact CE-CD1 4.12Å; I96-I98 HydrophobicContact CG2-CD1 4.13Å; I96-I98 PolarHBondContact O-N 2.81Å; I98-I101 HydrophobicContact CG2-CD1 3.61Å; I98-I101 HydrophobicContact CG2-CG1 3.96Å; I98-F135 HydrophobicContact CG2-CE1 4.34Å; I98-F135 HydrophobicContact CG2-CZ 4.1Å
99	H	90.3	Very high	89.8	Confident	148 Å²	148	65.1 Å²	65.1	69%	0.685	33%	0.326	S	S	*	.			trans	-109.6	151.6	-175.7	-61.8	-57.9	0	0	0	110.8
100	G	87	Confident	90.7	Very high	59 Å²	59	55.3 Å²	55.3	61%	0.608	29%	0.289	S	S	*	.	S	Bend	trans	84.8	11.5	172.3	0	0	0	0	0	115.6	M130	G100-M130 WeakPolarHBondContact O-CE 3.47Å; G100-M130 VanDerWaalsContact O-SD 3.34Å
101	I	93.9	Very high	91.4	Very high	9 Å²	9	55.7 Å²	55.7	5%	0.046	29%	0.293	C	S	.	.	S	Bend	trans	-136	153.7	174.2	65.6	177.8	0	0	0	111	V61 I98 M106 A131 L134 F135	V61-I101 HydrophobicContact CG1-CG1 3.98Å; V61-I101 WeakPolarHBondContact CG1-O 3.43Å; I98-I101 HydrophobicContact CG2-CD1 3.61Å; I98-I101 HydrophobicContact CG2-CG1 3.96Å; I101-M106 HydrophobicContact CD1-CB 3.84Å; I101-M106 HydrophobicContact CD1-CG 4.15Å; I101-M106 HydrophobicContact CD1-SD 3.48Å; I101-M106 WeakPolarHBondContact CD1-SD 3.34Å; I101-A131 HydrophobicContact CB-CB 4.34Å; I101-A131 HydrophobicContact CG2-CB 3.83Å; I101-L134 HydrophobicContact CG2-CD2 3.74Å; I101-F135 HydrophobicContact CD1-CE2 3.73Å; I101-F135 HydrophobicContact CD1-CZ 3.48Å; I101-F135 VanDerWaalsContact CD1-CZ 3.48Å
102	S	94.6	Very high	92.1	Very high	10 Å²	10	54.5 Å²	54.5	7%	0.07	29%	0.285	C	S	.	.			trans	-76.5	153.8	173.3	64.6	0	0	0	0	111.2	T104 A105 M106 E127	S102-T104 VanDerWaalsContact C-N 3.28Å; S102-T104 PolarHBondContact O-N 3.08Å; S102-T104 PolarHBondContact OG-OG1 3.49Å; S102-T104 VanDerWaalsContact OG-OG1 3.08Å; S102-A105 PolarHBondContact O-N 2.71Å; S102-A105 WeakPolarHBondContact OG-CB 3.42Å; S102-A105 PolarHBondContact OG-N 3.38Å; S102-A105 VanDerWaalsContact OG-N 3.16Å; S102-M106 PolarHBondContact O-N 3.41Å; S102-M106 VanDerWaalsContact O-N 3.1Å; S102-E127 WeakPolarHBondContact CB-OE2 3.46Å; S102-E127 PolarHBondContact OG-OE2 2.78Å
103	Y	94.7	Very high	92.8	Very high	41 Å²	41	46.5 Å²	46.5	16%	0.161	25%	0.247	C	C	.	.	H	α-helix	trans	-57.9	-41.4	174.5	178	-91.4	0	0	0	112.2	V61 E62 R64 I66 M106 E107	V61-Y103 HydrophobicContact CB-CD2 4.45Å; E62-Y103 PolarHBondContact OE2-N 2.88Å; R64-Y103 HydrophobicContact CB-CD2 3.4Å; R64-Y103 VanDerWaalsContact CB-CD2 3.4Å; R64-Y103 HydrophobicContact CB-CE2 3.49Å; R64-Y103 VanDerWaalsContact CB-CE2 3.49Å; R64-Y103 HydrophobicContact CB-CG 4.31Å; R64-Y103 HydrophobicContact CG-CD2 4.16Å; R64-Y103 HydrophobicContact CG-CE2 4.43Å; I66-Y103 HydrophobicContact CD1-CD2 3.75Å; I66-Y103 HydrophobicContact CD1-CE2 3.59Å; I66-Y103 HydrophobicContact CG1-CD2 3.93Å; I66-Y103 HydrophobicContact CG1-CE2 3.31Å; Y103-M106 PolarHBondContact O-N 3.03Å; Y103-E107 HydrophobicContact CD1-CG 4.34Å; Y103-E107 HydrophobicContact CE1-CG 3.83Å; Y103-E107 WeakPolarHBondContact CE1-OE1 3.25Å; Y103-E107 VanDerWaalsContact CE1-OE2 3.23Å; Y103-E107 WeakPolarHBondContact CE1-OE2 3.44Å; Y103-E107 PolarHBondContact O-N 3Å; Y103-E107 PolarHBondContact OH-OE1 3.08Å
104	T	94.4	Very high	93.1	Very high	75 Å²	75	43.4 Å²	43.4	46%	0.46	23%	0.233	S	C	.	.	H	α-helix	trans	-63.5	-44.5	179.1	41.3	0	0	0	0	112.6	S102 M106 E107 K108 E127	S102-T104 VanDerWaalsContact C-N 3.28Å; S102-T104 PolarHBondContact O-N 3.08Å; S102-T104 PolarHBondContact OG-OG1 3.49Å; S102-T104 VanDerWaalsContact OG-OG1 3.08Å; T104-M106 VanDerWaalsContact C-N 3.35Å; T104-E107 PolarHBondContact O-N 3.09Å; T104-K108 PolarHBondContact O-N 2.89Å; T104-K108 VanDerWaalsContact O-N 3.11Å; T104-E127 PolarHBondContact OG1-OE2 2.65Å; T104-E127 VanDerWaalsContact OG1-OE2 3.09Å
105	A	95.3	Very high	93.4	Very high	1 Å²	1	40 Å²	40	1%	0.008	22%	0.217	C	C	.	.	H	α-helix	trans	-65	-40.7	176.2	0	0	0	0	0	111.3	S102 E107 K108 I109 E127 A131	S102-A105 PolarHBondContact O-N 2.71Å; S102-A105 WeakPolarHBondContact OG-CB 3.42Å; S102-A105 PolarHBondContact OG-N 3.38Å; S102-A105 VanDerWaalsContact OG-N 3.16Å; A105-E107 PolarHBondContact O-N 2.61Å; A105-K108 PolarHBondContact O-N 2.78Å; A105-I109 WeakPolarHBondContact O-CG1 3.39Å; A105-I109 PolarHBondContact O-N 3.25Å; A105-E127 HydrophobicContact CB-CB 3.9Å; A105-A131 HydrophobicContact CB-CB 4.1Å
106	M	95.6	Very high	93.3	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-61.5	-43.3	175.7	-171.9	69.9	-154.4	0	0	111.8	L59 V61 I66 F80 I101 S102 Y103 T104 K108 I109 L110 F135	L59-M106 HydrophobicContact CD1-CE 3.37Å; V61-M106 HydrophobicContact CG1-CB 4.45Å; V61-M106 HydrophobicContact CG2-CB 3.99Å; V61-M106 HydrophobicContact CG2-CG 3.84Å; I66-M106 HydrophobicContact CD1-CB 3.98Å; I66-M106 HydrophobicContact CD1-CG 3.74Å; F80-M106 HydrophobicContact CE2-CE 4.16Å; F80-M106 HydrophobicContact CZ-CE 3.89Å; I101-M106 HydrophobicContact CD1-CB 3.84Å; I101-M106 HydrophobicContact CD1-CG 4.15Å; I101-M106 HydrophobicContact CD1-SD 3.48Å; I101-M106 WeakPolarHBondContact CD1-SD 3.34Å; S102-M106 PolarHBondContact O-N 3.41Å; S102-M106 VanDerWaalsContact O-N 3.1Å; Y103-M106 PolarHBondContact O-N 3.03Å; T104-M106 VanDerWaalsContact C-N 3.35Å; M106-K108 PolarHBondContact O-N 3.43Å; M106-I109 PolarHBondContact O-N 3.45Å; M106-L110 HydrophobicContact CE-CD1 3.94Å; M106-L110 HydrophobicContact CE-CD2 3.68Å; M106-L110 HydrophobicContact CE-CG 3.61Å; M106-L110 HydrophobicContact CG-CD1 4.21Å; M106-L110 HydrophobicContact CG-CG 4.49Å; M106-L110 WeakPolarHBondContact O-CG 3.48Å; M106-L110 PolarHBondContact O-N 3.24Å; M106-F135 HydrophobicContact CE-CE2 4.26Å; M106-F135 HydrophobicContact CE-CZ 4.18Å; M106-F135 HydrophobicContact SD-CE2 3.5Å; M106-F135 VanDerWaalsContact SD-CE2 3.5Å; M106-F135 HydrophobicContact SD-CZ 3.45Å; M106-F135 WeakPolarHBondContact SD-CZ 3.5Å
107	E	94.8	Very high	93.3	Very high	71 Å²	71	44.5 Å²	44.5	33%	0.332	25%	0.246	S	C	.	.	H	α-helix	trans	-58.7	-46.6	176.6	-79.5	-170.7	144.9	0	0	111.6	I66 Y103 T104 A105 I109 L110 D111	I66-E107 HydrophobicContact CD1-CG 4.22Å; Y103-E107 HydrophobicContact CD1-CG 4.34Å; Y103-E107 HydrophobicContact CE1-CG 3.83Å; Y103-E107 WeakPolarHBondContact CE1-OE1 3.25Å; Y103-E107 VanDerWaalsContact CE1-OE2 3.23Å; Y103-E107 WeakPolarHBondContact CE1-OE2 3.44Å; Y103-E107 PolarHBondContact O-N 3Å; Y103-E107 PolarHBondContact OH-OE1 3.08Å; T104-E107 PolarHBondContact O-N 3.09Å; A105-E107 PolarHBondContact O-N 2.61Å; E107-I109 PolarHBondContact O-N 3.16Å; E107-L110 CarbonylContact O-C 3.55Å; E107-L110 WeakPolarHBondContact O-CB 3.39Å; E107-L110 PolarHBondContact O-N 2.93Å; E107-L110 VanDerWaalsContact O-N 3.16Å; E107-D111 VanDerWaalsContact O-CG 3.28Å; E107-D111 PolarHBondContact O-N 3.33Å
108	K	95.7	Very high	93.5	Very high	58 Å²	58	43 Å²	43	25%	0.252	23%	0.234	S	C	.	.	H	α-helix	trans	-63.8	-39.4	177.2	-74.6	-167.3	166.7	-156.4	0	113.4	T104 A105 M106 L110 D111 Y112 E119 N124 I128	T104-K108 PolarHBondContact O-N 2.89Å; T104-K108 VanDerWaalsContact O-N 3.11Å; A105-K108 PolarHBondContact O-N 2.78Å; M106-K108 PolarHBondContact O-N 3.43Å; K108-L110 VanDerWaalsContact C-N 3.31Å; K108-D111 PolarHBondContact O-N 3.11Å; K108-Y112 PolarHBondContact O-N 3.3Å; K108-E119 PolarHBondContact NZ-O 2.84Å; K108-N124 PolarHBondContact NZ-ND2 2.94Å; K108-I128 HydrophobicContact CD-CD1 3.57Å; K108-I128 HydrophobicContact CD-CG1 4.26Å
109	I	96.1	Very high	93.7	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-64.4	-39.3	174	-69.1	-58	0	0	0	110.8	A105 M106 E107 Y112 I113 I118 I128 A131 A132 F135 L137 V140	A105-I109 WeakPolarHBondContact O-CG1 3.39Å; A105-I109 PolarHBondContact O-N 3.25Å; M106-I109 PolarHBondContact O-N 3.45Å; E107-I109 PolarHBondContact O-N 3.16Å; I109-Y112 WeakPolarHBondContact O-CB 3.26Å; I109-Y112 PolarHBondContact O-N 2.97Å; I109-I113 HydrophobicContact CG2-CD1 3.95Å; I109-I113 VanDerWaalsContact O-CG1 3.29Å; I109-I113 WeakPolarHBondContact O-CG1 3.45Å; I109-I113 PolarHBondContact O-N 2.93Å; I109-I118 HydrophobicContact CD1-CD1 4.23Å; I109-I128 HydrophobicContact CD1-CG2 4.24Å; I109-A131 HydrophobicContact CG1-CB 3.87Å; I109-A132 HydrophobicContact CD1-CB 4.34Å; I109-F135 HydrophobicContact CG2-CD2 3.9Å; I109-F135 HydrophobicContact CG2-CE2 4.19Å; I109-L137 HydrophobicContact CD1-CD1 3.98Å; I109-L137 HydrophobicContact CG2-CD1 3.68Å; I109-V140 HydrophobicContact CD1-CG1 4.27Å
110	L	94.2	Very high	93.9	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-65.7	-46	174.2	-71.4	171.1	0	0	0	110.8	R49 I66 A68 L73 M106 E107 K108 Y112 I113 Y114	R49-L110 PolarHBondContact NH1-O 3.33Å; R49-L110 VanDerWaalsContact NH1-O 3.16Å; I66-L110 HydrophobicContact CB-CD1 4.37Å; I66-L110 HydrophobicContact CD1-CD1 4.48Å; I66-L110 HydrophobicContact CG2-CD1 3.37Å; A68-L110 HydrophobicContact CB-CD2 4.46Å; L73-L110 HydrophobicContact CD2-CD2 3.51Å; M106-L110 HydrophobicContact CE-CD1 3.94Å; M106-L110 HydrophobicContact CE-CD2 3.68Å; M106-L110 HydrophobicContact CE-CG 3.61Å; M106-L110 HydrophobicContact CG-CD1 4.21Å; M106-L110 HydrophobicContact CG-CG 4.49Å; M106-L110 WeakPolarHBondContact O-CG 3.48Å; M106-L110 PolarHBondContact O-N 3.24Å; E107-L110 CarbonylContact O-C 3.55Å; E107-L110 WeakPolarHBondContact O-CB 3.39Å; E107-L110 PolarHBondContact O-N 2.93Å; E107-L110 VanDerWaalsContact O-N 3.16Å; K108-L110 VanDerWaalsContact C-N 3.31Å; L110-Y112 VanDerWaalsContact C-N 3.27Å; L110-Y112 PolarHBondContact O-N 3.45Å; L110-I113 WeakPolarHBondContact O-CA 3.33Å; L110-I113 WeakPolarHBondContact O-CB 3.41Å; L110-I113 PolarHBondContact O-N 3.34Å; L110-Y114 VanDerWaalsContact O-CD2 3.25Å; L110-Y114 WeakPolarHBondContact O-CD2 3.24Å; L110-Y114 PolarHBondContact O-N 3.47Å
111	D	93.7	Very high	94.2	Very high	69 Å²	69	45 Å²	45	37%	0.369	23%	0.231	S	C	.	.	H	α-helix	trans	-52.1	-50.2	174.7	-67.1	-15.9	0	0	0	110.4	R49 E107 K108 I113 Y114 T115	R49-D111 IonicContact CZ-OD1 3.2Å; R49-D111 VanDerWaalsContact NH1-CA 3.26Å; R49-D111 VanDerWaalsContact NH1-N 3.16Å; R49-D111 IonicContact NH1-OD1 3.05Å; R49-D111 PolarHBondContact NH1-OD1 3.37Å; R49-D111 IonicContact NH2-OD1 2.76Å; R49-D111 PolarHBondContact NH2-OD1 3.45Å; E107-D111 VanDerWaalsContact O-CG 3.28Å; E107-D111 PolarHBondContact O-N 3.33Å; K108-D111 PolarHBondContact O-N 3.11Å; D111-I113 VanDerWaalsContact C-N 3.34Å; D111-I113 PolarHBondContact O-N 2.81Å; D111-Y114 PolarHBondContact O-N 2.79Å; D111-T115 WeakPolarHBondContact O-CB 3.04Å; D111-T115 WeakPolarHBondContact O-CG2 3.27Å; D111-T115 PolarHBondContact O-N 2.78Å; D111-T115 PolarHBondContact O-OG1 2.93Å
112	Y	95.2	Very high	94	Very high	47 Å²	47	50 Å²	50	18%	0.184	26%	0.256	C	S	.	.	H	α-helix	trans	-54.3	-44.6	172.3	174.6	-104.4	0	0	0	113.9	K108 I109 L110 Y114 S116 E117 I118 V140	K108-Y112 PolarHBondContact O-N 3.3Å; I109-Y112 WeakPolarHBondContact O-CB 3.26Å; I109-Y112 PolarHBondContact O-N 2.97Å; L110-Y112 VanDerWaalsContact C-N 3.27Å; L110-Y112 PolarHBondContact O-N 3.45Å; Y112-Y114 VanDerWaalsContact C-N 3.27Å; Y112-Y114 PolarHBondContact O-N 3.33Å; Y112-S116 WeakPolarHBondContact O-CA 3.39Å; Y112-S116 PolarHBondContact O-N 3.33Å; Y112-E117 VanDerWaalsContact CA-O 3.29Å; Y112-E117 WeakPolarHBondContact CA-O 3.49Å; Y112-I118 HydrophobicContact CD2-CB 4.1Å; Y112-I118 HydrophobicContact CD2-CG2 4.22Å; Y112-I118 HydrophobicContact CG-CB 4.45Å; Y112-V140 HydrophobicContact CD1-CG2 3.66Å; Y112-V140 HydrophobicContact CD2-CG2 4.24Å; Y112-V140 HydrophobicContact CE1-CG2 3.4Å; Y112-V140 VanDerWaalsContact CE1-CG2 3.4Å; Y112-V140 HydrophobicContact CE2-CG2 4.02Å; Y112-V140 HydrophobicContact CG-CG2 4.07Å
113	I	93.5	Very high	93.9	Very high	7 Å²	7	58.1 Å²	58.1	4%	0.036	29%	0.293	C	S	.	.	H	α-helix	trans	-63	-32.4	179	-74.3	169	0	0	0	112.2	M42 L72 L73 I109 L110 D111	M42-I113 WeakPolarHBondContact CE-O 3.49Å; L72-I113 HydrophobicContact CD1-CG2 4.48Å; L72-I113 HydrophobicContact CD2-CG2 3.82Å; L72-I113 HydrophobicContact CG-CG2 3.65Å; L73-I113 HydrophobicContact CD2-CD1 3.88Å; I109-I113 HydrophobicContact CG2-CD1 3.95Å; I109-I113 VanDerWaalsContact O-CG1 3.29Å; I109-I113 WeakPolarHBondContact O-CG1 3.45Å; I109-I113 PolarHBondContact O-N 2.93Å; L110-I113 WeakPolarHBondContact O-CA 3.33Å; L110-I113 WeakPolarHBondContact O-CB 3.41Å; L110-I113 PolarHBondContact O-N 3.34Å; D111-I113 VanDerWaalsContact C-N 3.34Å; D111-I113 PolarHBondContact O-N 2.81Å
114	Y	92.7	Very high	93.8	Very high	2 Å²	2	56.9 Å²	56.9	1%	0.008	29%	0.29	C	S	.	.	H	α-helix	trans	-92.9	-28.6	-179.2	-77.4	-99.9	0	0	0	114	M42 L45 R49 H69 L72 L110 D111 Y112	M42-Y114 WeakPolarHBondContact CE-O 3.33Å; L45-Y114 HydrophobicContact CB-CD1 4.44Å; R49-Y114 HydrophobicContact CB-CD1 3.86Å; R49-Y114 HydrophobicContact CB-CE1 3.7Å; R49-Y114 HydrophobicContact CG-CD1 4.37Å; R49-Y114 HydrophobicContact CG-CE1 4.17Å; H69-Y114 PolarHBondContact N-OH 3.05Å; H69-Y114 AromaticContact ND1-CE1 3.54Å; H69-Y114 AromaticContact ND1-CZ 3.55Å; H69-Y114 PolarHBondContact ND1-OH 3Å; L72-Y114 HydrophobicContact CD2-CD1 3.44Å; L72-Y114 VanDerWaalsContact CD2-CD1 3.44Å; L72-Y114 HydrophobicContact CD2-CD2 3.74Å; L72-Y114 HydrophobicContact CD2-CE1 3.36Å; L72-Y114 HydrophobicContact CD2-CE2 3.71Å; L72-Y114 HydrophobicContact CD2-CG 3.65Å; L110-Y114 VanDerWaalsContact O-CD2 3.25Å; L110-Y114 WeakPolarHBondContact O-CD2 3.24Å; L110-Y114 PolarHBondContact O-N 3.47Å; D111-Y114 PolarHBondContact O-N 2.79Å; Y112-Y114 VanDerWaalsContact C-N 3.27Å; Y112-Y114 PolarHBondContact O-N 3.33Å
115	T	91.8	Very high	93.8	Very high	53 Å²	53	53.6 Å²	53.6	33%	0.325	27%	0.269	S	S	.	.	H	α-helix	trans	-111.8	-18.4	-173.6	68.1	0	0	0	0	113.1	D111 E117	D111-T115 WeakPolarHBondContact O-CB 3.04Å; D111-T115 WeakPolarHBondContact O-CG2 3.27Å; D111-T115 PolarHBondContact O-N 2.78Å; D111-T115 PolarHBondContact O-OG1 2.93Å; T115-E117 PolarHBondContact O-N 2.84Å; T115-E117 PolarHBondContact OG1-N 3.13Å; T115-E117 VanDerWaalsContact OG1-N 3.09Å; T115-E117 PolarHBondContact OG1-O 3.32Å
116	S	90.6	Very high	93.7	Very high	72 Å²	72	58.8 Å²	58.8	50%	0.503	29%	0.294	S	S	.	.	S	Bend	trans	63	18.5	-166.4	-51.7	0	0	0	0	114.4	Y112	Y112-S116 WeakPolarHBondContact O-CA 3.39Å; Y112-S116 PolarHBondContact O-N 3.33Å
117	E	92.7	Very high	93.7	Very high	147 Å²	147	62.3 Å²	62.3	69%	0.687	31%	0.31	S	S	*	.			trans	-120.9	140.1	-179.7	-63.5	-178.6	173.2	0	0	110.7	Y112 T115	Y112-E117 VanDerWaalsContact CA-O 3.29Å; Y112-E117 WeakPolarHBondContact CA-O 3.49Å; T115-E117 PolarHBondContact O-N 2.84Å; T115-E117 PolarHBondContact OG1-N 3.13Å; T115-E117 VanDerWaalsContact OG1-N 3.09Å; T115-E117 PolarHBondContact OG1-O 3.32Å
118	I	95.8	Very high	93.8	Very high	31 Å²	31	59 Å²	59	16%	0.159	29%	0.294	C	S	.	.			trans	-146.3	136.8	175.8	-163.6	168.1	0	0	0	110.5	I109 Y112 I128 V140 F143	I109-I118 HydrophobicContact CD1-CD1 4.23Å; Y112-I118 HydrophobicContact CD2-CB 4.1Å; Y112-I118 HydrophobicContact CD2-CG2 4.22Å; Y112-I118 HydrophobicContact CG-CB 4.45Å; I118-I128 HydrophobicContact CD1-CG2 3.64Å; I118-V140 HydrophobicContact CD1-CG1 3.91Å; I118-F143 HydrophobicContact CG2-CD1 3.89Å; I118-F143 HydrophobicContact CG2-CE1 4.06Å
119	E	94.8	Very high	93.8	Very high	161 Å²	161	56.2 Å²	56.2	75%	0.752	28%	0.282	S	S	*	.			trans	-109.9	129.6	178.4	-66	-174.3	161.9	0	0	110.9	K108	K108-E119 PolarHBondContact NZ-O 2.84Å
120	L	95.1	Very high	93.6	Very high	24 Å²	24	58.9 Å²	58.9	13%	0.126	30%	0.296	C	S	.	.			trans	-110.3	143.4	178.4	-59.9	-178.2	0	0	0	111.3	N124 V125 I128 F143 C144 F147	L120-N124 WeakPolarHBondContact CA-OD1 3.46Å; L120-V125 HydrophobicContact CD1-CG2 4.46Å; L120-I128 HydrophobicContact CD2-CB 4.19Å; L120-I128 HydrophobicContact CD2-CD1 3.5Å; L120-I128 VanDerWaalsContact CD2-CD1 3.5Å; L120-I128 HydrophobicContact CD2-CG1 4.47Å; L120-I128 HydrophobicContact CD2-CG2 3.92Å; L120-F143 HydrophobicContact CB-CE1 4.41Å; L120-F143 HydrophobicContact CD1-CD1 3.42Å; L120-F143 VanDerWaalsContact CD1-CD1 3.42Å; L120-F143 HydrophobicContact CD1-CE1 3.54Å; L120-F143 HydrophobicContact CD1-CG 4.11Å; L120-F143 HydrophobicContact CD1-CZ 4.28Å; L120-F143 HydrophobicContact CG-CD1 3.87Å; L120-F143 HydrophobicContact CG-CE1 3.61Å; L120-F143 HydrophobicContact CG-CZ 4.49Å; L120-C144 HydrophobicContact CD1-CB 4.38Å; L120-F147 HydrophobicContact CB-CD1 4.44Å; L120-F147 HydrophobicContact CB-CD2 4.08Å; L120-F147 HydrophobicContact CB-CE2 4.28Å; L120-F147 HydrophobicContact CB-CG 4.16Å; L120-F147 HydrophobicContact CD1-CB 3.82Å; L120-F147 HydrophobicContact CD1-CG 4.13Å
121	D	94	Very high	93.7	Very high	68 Å²	68	58.9 Å²	58.9	36%	0.364	30%	0.296	S	S	.	.			trans	-141.1	175.8	167.3	60.1	46.9	0	0	0	109.4	E123 N124 V125	D121-E123 PolarHBondContact O-N 3.33Å; D121-E123 WeakPolarHBondContact OD1-CA 3.35Å; D121-E123 WeakPolarHBondContact OD1-CB 3.47Å; D121-E123 PolarHBondContact OD1-N 2.91Å; D121-N124 VanDerWaalsContact CG-CG 3.46Å; D121-N124 PolarHBondContact N-ND2 3.48Å; D121-N124 PolarHBondContact N-OD1 3.1Å; D121-N124 PolarHBondContact O-N 3.39Å; D121-N124 PolarHBondContact O-OD1 3.26Å; D121-N124 WeakPolarHBondContact OD1-CB 3.21Å; D121-N124 PolarHBondContact OD1-N 3.47Å; D121-N124 PolarHBondContact OD1-ND2 3.21Å; D121-N124 PolarHBondContact OD2-ND2 3.45Å; D121-V125 WeakPolarHBondContact O-CB 3.29Å; D121-V125 WeakPolarHBondContact O-CG1 3.47Å; D121-V125 PolarHBondContact O-N 2.99Å; D121-V125 VanDerWaalsContact O-N 3.1Å
122	L	89.6	Confident	93.7	Very high	112 Å²	112	55.6 Å²	55.6	59%	0.586	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-21.9	-178.4	-66	173.2	0	0	0	113.3	F147 W151	L122-F147 HydrophobicContact CD2-CE1 4.08Å; L122-F147 HydrophobicContact CD2-CZ 4.41Å; L122-W151 HydrophobicContact CD1-CE3 4.35Å; L122-W151 HydrophobicContact CD1-CZ3 4.49Å; L122-W151 HydrophobicContact CD2-CB 4.21Å; L122-W151 HydrophobicContact CD2-CD2 4.21Å; L122-W151 HydrophobicContact CD2-CG 4.03Å
123	E	91.3	Very high	93.6	Very high	181 Å²	181	54.6 Å²	54.6	85%	0.846	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-32.5	-178.4	-59.9	-178.5	178.6	0	0	111.3	D121	D121-E123 PolarHBondContact O-N 3.33Å; D121-E123 WeakPolarHBondContact OD1-CA 3.35Å; D121-E123 WeakPolarHBondContact OD1-CB 3.47Å; D121-E123 PolarHBondContact OD1-N 2.91Å
124	N	93.7	Very high	93.6	Very high	16 Å²	16	57.2 Å²	57.2	9%	0.086	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.9	-19.2	-172.1	72	37.2	0	0	0	114.9	K108 L120 D121 Q126 E127 I128	K108-N124 PolarHBondContact NZ-ND2 2.94Å; L120-N124 WeakPolarHBondContact CA-OD1 3.46Å; D121-N124 VanDerWaalsContact CG-CG 3.46Å; D121-N124 PolarHBondContact N-ND2 3.48Å; D121-N124 PolarHBondContact N-OD1 3.1Å; D121-N124 PolarHBondContact O-N 3.39Å; D121-N124 PolarHBondContact O-OD1 3.26Å; D121-N124 WeakPolarHBondContact OD1-CB 3.21Å; D121-N124 PolarHBondContact OD1-N 3.47Å; D121-N124 PolarHBondContact OD1-ND2 3.21Å; D121-N124 PolarHBondContact OD2-ND2 3.45Å; N124-Q126 VanDerWaalsContact C-N 3.28Å; N124-Q126 PolarHBondContact O-N 3.26Å; N124-E127 PolarHBondContact O-N 3.32Å; N124-E127 VanDerWaalsContact O-N 3.17Å; N124-I128 HydrophobicContact CB-CD1 3.97Å; N124-I128 WeakPolarHBondContact O-CG1 3.33Å; N124-I128 PolarHBondContact O-N 2.9Å; N124-I128 VanDerWaalsContact OD1-CD1 3.31Å; N124-I128 WeakPolarHBondContact OD1-CD1 3.45Å
125	V	94.8	Very high	93.6	Very high	5 Å²	5	57.1 Å²	57.1	3%	0.03	29%	0.291	C	S	.	.	H	α-helix	trans	-59.8	-38	-168.9	61	0	0	0	0	112.6	L120 D121 L129 C144 F147 L148	L120-V125 HydrophobicContact CD1-CG2 4.46Å; D121-V125 WeakPolarHBondContact O-CB 3.29Å; D121-V125 WeakPolarHBondContact O-CG1 3.47Å; D121-V125 PolarHBondContact O-N 2.99Å; D121-V125 VanDerWaalsContact O-N 3.1Å; V125-L129 WeakPolarHBondContact O-CB 3.48Å; V125-L129 PolarHBondContact O-N 3.32Å; V125-C144 HydrophobicContact CG2-CB 4.19Å; V125-F147 HydrophobicContact CB-CD1 4.09Å; V125-F147 HydrophobicContact CB-CE1 4.19Å; V125-F147 HydrophobicContact CG1-CD1 4.37Å; V125-F147 HydrophobicContact CG1-CE1 4.24Å; V125-F147 HydrophobicContact CG2-CD1 3.88Å; V125-F147 HydrophobicContact CG2-CE1 4.47Å; V125-L148 HydrophobicContact CG1-CD2 3.8Å; V125-L148 HydrophobicContact CG2-CD2 4.01Å; V125-L148 HydrophobicContact CG2-CG 3.95Å
126	Q	93.3	Very high	93.6	Very high	111 Å²	111	60.7 Å²	60.7	52%	0.519	30%	0.304	S	S	.	.	H	α-helix	trans	-66.8	-44.5	-180	-179	174.9	-9.7	0	0	111.8	N124 L129 M130 L163	N124-Q126 VanDerWaalsContact C-N 3.28Å; N124-Q126 PolarHBondContact O-N 3.26Å; Q126-L129 PolarHBondContact O-N 3.22Å; Q126-M130 WeakPolarHBondContact O-CB 3.14Å; Q126-M130 PolarHBondContact O-N 3.26Å; Q126-L163 HydrophobicContact CG-CD2 3.87Å
127	E	94.4	Very high	93.7	Very high	74 Å²	74	57.9 Å²	57.9	35%	0.346	28%	0.283	S	S	.	.	H	α-helix	trans	-67.7	-39.2	179.3	-57.2	-170.2	165.7	0	0	111.5	S102 T104 A105 N124 M130 A131	S102-E127 WeakPolarHBondContact CB-OE2 3.46Å; S102-E127 PolarHBondContact OG-OE2 2.78Å; T104-E127 PolarHBondContact OG1-OE2 2.65Å; T104-E127 VanDerWaalsContact OG1-OE2 3.09Å; A105-E127 HydrophobicContact CB-CB 3.9Å; N124-E127 PolarHBondContact O-N 3.32Å; N124-E127 VanDerWaalsContact O-N 3.17Å; E127-M130 WeakPolarHBondContact O-CB 3.49Å; E127-M130 PolarHBondContact O-N 3.03Å; E127-A131 PolarHBondContact O-N 3.08Å
128	I	96.4	Very high	93.8	Very high	1 Å²	1	58.3 Å²	58.3	1%	0.005	29%	0.285	C	S	.	.	H	α-helix	trans	-67.6	-43.5	176.8	-65.5	169.6	0	0	0	110.7	K108 I109 I118 L120 N124 M130 A131 A132 V140	K108-I128 HydrophobicContact CD-CD1 3.57Å; K108-I128 HydrophobicContact CD-CG1 4.26Å; I109-I128 HydrophobicContact CD1-CG2 4.24Å; I118-I128 HydrophobicContact CD1-CG2 3.64Å; L120-I128 HydrophobicContact CD2-CB 4.19Å; L120-I128 HydrophobicContact CD2-CD1 3.5Å; L120-I128 VanDerWaalsContact CD2-CD1 3.5Å; L120-I128 HydrophobicContact CD2-CG1 4.47Å; L120-I128 HydrophobicContact CD2-CG2 3.92Å; N124-I128 HydrophobicContact CB-CD1 3.97Å; N124-I128 WeakPolarHBondContact O-CG1 3.33Å; N124-I128 PolarHBondContact O-N 2.9Å; N124-I128 VanDerWaalsContact OD1-CD1 3.31Å; N124-I128 WeakPolarHBondContact OD1-CD1 3.45Å; I128-M130 VanDerWaalsContact C-N 3.3Å; I128-M130 PolarHBondContact O-N 3.34Å; I128-A131 PolarHBondContact O-N 3.42Å; I128-A132 VanDerWaalsContact O-CB 3.24Å; I128-A132 WeakPolarHBondContact O-CB 3.48Å; I128-A132 PolarHBondContact O-N 2.93Å; I128-V140 HydrophobicContact CG2-CG1 3.96Å
129	L	95.4	Very high	93.7	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-60.4	-42	176.5	175.6	61.7	0	0	0	111.3	V125 Q126 A132 S133 I141 C144 L148 Y167 L169	V125-L129 WeakPolarHBondContact O-CB 3.48Å; V125-L129 PolarHBondContact O-N 3.32Å; Q126-L129 PolarHBondContact O-N 3.22Å; L129-A132 PolarHBondContact O-N 2.86Å; L129-S133 VanDerWaalsContact O-CB 3.26Å; L129-S133 WeakPolarHBondContact O-CB 3.27Å; L129-S133 PolarHBondContact O-N 3.25Å; L129-S133 PolarHBondContact O-OG 2.92Å; L129-I141 HydrophobicContact CD1-CG2 4.22Å; L129-C144 HydrophobicContact CB-CB 4.17Å; L129-C144 HydrophobicContact CD1-CB 3.91Å; L129-L148 HydrophobicContact CD2-CD1 3.84Å; L129-Y167 HydrophobicContact CD2-CD2 4.02Å; L129-Y167 HydrophobicContact CD2-CE2 4.37Å; L129-Y167 HydrophobicContact CG-CD2 4.19Å; L129-Y167 HydrophobicContact CG-CE2 4.48Å; L129-L169 HydrophobicContact CD1-CD1 3.95Å; L129-L169 HydrophobicContact CD2-CD1 3.8Å; L129-L169 HydrophobicContact CG-CD1 4.35Å
130	M	93.3	Very high	93.7	Very high	56 Å²	56	55.1 Å²	55.1	28%	0.276	27%	0.274	S	S	.	.	H	α-helix	trans	-59.8	-49.2	175	-175.9	175	56.9	0	0	111.3	G100 Q126 E127 I128 S133 L134 Y167	G100-M130 WeakPolarHBondContact O-CE 3.47Å; G100-M130 VanDerWaalsContact O-SD 3.34Å; Q126-M130 WeakPolarHBondContact O-CB 3.14Å; Q126-M130 PolarHBondContact O-N 3.26Å; E127-M130 WeakPolarHBondContact O-CB 3.49Å; E127-M130 PolarHBondContact O-N 3.03Å; I128-M130 VanDerWaalsContact C-N 3.3Å; I128-M130 PolarHBondContact O-N 3.34Å; M130-S133 PolarHBondContact O-N 2.81Å; M130-L134 PolarHBondContact O-N 3.45Å; M130-Y167 HydrophobicContact CB-CE1 4.12Å; M130-Y167 WeakPolarHBondContact CB-OH 3.41Å; M130-Y167 HydrophobicContact CG-CE1 4.04Å; M130-Y167 WeakPolarHBondContact CG-OH 3.44Å
131	A	95.1	Very high	93.7	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-64.9	-44.3	178.6	0	0	0	0	0	112.3	I101 A105 I109 E127 I128 S133 L134 F135	I101-A131 HydrophobicContact CB-CB 4.34Å; I101-A131 HydrophobicContact CG2-CB 3.83Å; A105-A131 HydrophobicContact CB-CB 4.1Å; I109-A131 HydrophobicContact CG1-CB 3.87Å; E127-A131 PolarHBondContact O-N 3.08Å; I128-A131 PolarHBondContact O-N 3.42Å; A131-S133 VanDerWaalsContact C-N 3.3Å; A131-S133 PolarHBondContact O-N 3.43Å; A131-L134 PolarHBondContact O-N 3.42Å; A131-F135 HydrophobicContact CB-CD2 4.41Å; A131-F135 HydrophobicContact CB-CE2 4.26Å; A131-F135 WeakPolarHBondContact O-CB 3.2Å; A131-F135 WeakPolarHBondContact O-CD2 2.91Å; A131-F135 WeakPolarHBondContact O-CG 3.46Å; A131-F135 PolarHBondContact O-N 3.44Å
132	A	95.3	Very high	93.8	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-62.1	-38.5	177.3	0	0	0	0	0	111.9	I109 I128 L129 F135 Q136 L137 V140 I141	I109-A132 HydrophobicContact CD1-CB 4.34Å; I128-A132 VanDerWaalsContact O-CB 3.24Å; I128-A132 WeakPolarHBondContact O-CB 3.48Å; I128-A132 PolarHBondContact O-N 2.93Å; L129-A132 PolarHBondContact O-N 2.86Å; A132-F135 CarbonylContact O-C 3.57Å; A132-F135 PolarHBondContact O-N 3.04Å; A132-Q136 WeakPolarHBondContact O-CA 3.42Å; A132-Q136 PolarHBondContact O-N 3.48Å; A132-L137 HydrophobicContact CB-CB 4.29Å; A132-L137 PolarHBondContact O-N 3.44Å; A132-V140 HydrophobicContact CB-CB 3.94Å; A132-V140 HydrophobicContact CB-CG1 3.72Å; A132-I141 HydrophobicContact CB-CG1 3.87Å
133	S	93.1	Very high	94.1	Very high	25 Å²	25	54 Å²	54	18%	0.175	27%	0.268	C	S	.	.	H	α-helix	trans	-66.9	-44.2	175.7	-58.6	0	0	0	0	111.7	L129 M130 A131 F135 Q136	L129-S133 VanDerWaalsContact O-CB 3.26Å; L129-S133 WeakPolarHBondContact O-CB 3.27Å; L129-S133 PolarHBondContact O-N 3.25Å; L129-S133 PolarHBondContact O-OG 2.92Å; M130-S133 PolarHBondContact O-N 2.81Å; A131-S133 VanDerWaalsContact C-N 3.3Å; A131-S133 PolarHBondContact O-N 3.43Å; S133-F135 VanDerWaalsContact C-N 3.31Å; S133-F135 PolarHBondContact O-N 3.47Å; S133-Q136 PolarHBondContact O-N 2.87Å
134	L	92.7	Very high	94.4	Very high	63 Å²	63	45.4 Å²	45.4	33%	0.33	23%	0.228	S	C	.	.	H	α-helix	trans	-59.3	-43.2	175.1	178.7	64.5	0	0	0	111.7	Y79 I101 M130 A131 Q136	Y79-L134 HydrophobicContact CE2-CD1 4.38Å; I101-L134 HydrophobicContact CG2-CD2 3.74Å; M130-L134 PolarHBondContact O-N 3.45Å; A131-L134 PolarHBondContact O-N 3.42Å; L134-Q136 VanDerWaalsContact C-N 3.34Å
135	F	92.9	Very high	94.5	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-0.6	-178.2	-59.2	-43.2	0	0	0	114.5	Y79 F80 I98 I101 M106 I109 A131 A132 S133 L137	Y79-F135 AromaticContact CD1-CD1 3.51Å; Y79-F135 HydrophobicContact CD1-CD1 3.51Å; Y79-F135 AromaticContact CD1-CE1 3.74Å; Y79-F135 HydrophobicContact CD1-CE1 3.74Å; Y79-F135 AromaticContact CE1-CD1 3.98Å; Y79-F135 HydrophobicContact CE1-CD1 3.98Å; Y79-F135 AromaticContact CE1-CE1 3.73Å; Y79-F135 HydrophobicContact CE1-CE1 3.73Å; Y79-F135 AromaticContact CG-CD1 3.84Å; Y79-F135 HydrophobicContact CG-CD1 3.84Å; Y79-F135 HydrophobicContact CG-CE1 4.43Å; F80-F135 HydrophobicContact CE1-CE1 4.42Å; F80-F135 HydrophobicContact CE2-CD1 4.03Å; F80-F135 AromaticContact CE2-CE1 3.93Å; F80-F135 HydrophobicContact CE2-CE1 3.93Å; F80-F135 HydrophobicContact CE2-CG 4.45Å; F80-F135 HydrophobicContact CE2-CZ 4.25Å; F80-F135 HydrophobicContact CZ-CD1 4.13Å; F80-F135 AromaticContact CZ-CE1 3.59Å; F80-F135 HydrophobicContact CZ-CE1 3.59Å; F80-F135 AromaticContact CZ-CZ 3.91Å; F80-F135 HydrophobicContact CZ-CZ 3.91Å; I98-F135 HydrophobicContact CG2-CE1 4.34Å; I98-F135 HydrophobicContact CG2-CZ 4.1Å; I101-F135 HydrophobicContact CD1-CE2 3.73Å; I101-F135 HydrophobicContact CD1-CZ 3.48Å; I101-F135 VanDerWaalsContact CD1-CZ 3.48Å; M106-F135 HydrophobicContact CE-CE2 4.26Å; M106-F135 HydrophobicContact CE-CZ 4.18Å; M106-F135 HydrophobicContact SD-CE2 3.5Å; M106-F135 VanDerWaalsContact SD-CE2 3.5Å; M106-F135 HydrophobicContact SD-CZ 3.45Å; M106-F135 WeakPolarHBondContact SD-CZ 3.5Å; I109-F135 HydrophobicContact CG2-CD2 3.9Å; I109-F135 HydrophobicContact CG2-CE2 4.19Å; A131-F135 HydrophobicContact CB-CD2 4.41Å; A131-F135 HydrophobicContact CB-CE2 4.26Å; A131-F135 WeakPolarHBondContact O-CB 3.2Å; A131-F135 WeakPolarHBondContact O-CD2 2.91Å; A131-F135 WeakPolarHBondContact O-CG 3.46Å; A131-F135 PolarHBondContact O-N 3.44Å; A132-F135 CarbonylContact O-C 3.57Å; A132-F135 PolarHBondContact O-N 3.04Å; S133-F135 VanDerWaalsContact C-N 3.31Å; S133-F135 PolarHBondContact O-N 3.47Å; F135-L137 VanDerWaalsContact C-N 3.34Å; F135-L137 HydrophobicContact CB-CD1 4.14Å; F135-L137 HydrophobicContact CB-CG 4.03Å; F135-L137 PolarHBondContact O-N 3.01Å
136	Q	91.6	Very high	94.5	Very high	127 Å²	127	47.9 Å²	47.9	59%	0.593	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.6	42.8	-179.3	-57.4	179.2	-9.6	0	0	113.3	A132 S133 L134 E138	A132-Q136 WeakPolarHBondContact O-CA 3.42Å; A132-Q136 PolarHBondContact O-N 3.48Å; S133-Q136 PolarHBondContact O-N 2.87Å; L134-Q136 VanDerWaalsContact C-N 3.34Å; Q136-E138 PolarHBondContact O-N 3.15Å
137	L	93.8	Very high	94.6	Very high	13 Å²	13	44.2 Å²	44.2	7%	0.068	22%	0.224	C	C	.	.			trans	-88	80.2	178.5	-66.2	173.5	0	0	0	110.9	C77 I109 A132 F135 N139 V140 I141	C77-L137 HydrophobicContact CB-CD2 3.67Å; C77-L137 HydrophobicContact CB-CG 4.43Å; I109-L137 HydrophobicContact CD1-CD1 3.98Å; I109-L137 HydrophobicContact CG2-CD1 3.68Å; A132-L137 HydrophobicContact CB-CB 4.29Å; A132-L137 PolarHBondContact O-N 3.44Å; F135-L137 VanDerWaalsContact C-N 3.34Å; F135-L137 HydrophobicContact CB-CD1 4.14Å; F135-L137 HydrophobicContact CB-CG 4.03Å; F135-L137 PolarHBondContact O-N 3.01Å; L137-N139 VanDerWaalsContact C-N 3.31Å; L137-N139 PolarHBondContact O-N 3.21Å; L137-V140 HydrophobicContact CB-CB 4.12Å; L137-V140 HydrophobicContact CB-CG2 4.11Å; L137-V140 PolarHBondContact O-N 2.82Å; L137-I141 WeakPolarHBondContact O-CG1 3.17Å; L137-I141 PolarHBondContact O-N 3.36Å
138	E	92.8	Very high	94.7	Very high	157 Å²	157	41.5 Å²	41.5	73%	0.734	21%	0.212	S	C	*	.	H	α-helix	trans	-52.6	-41.2	-172.4	-65.3	-173.8	169.8	0	0	114.4	Q136 V140 I141 S142	Q136-E138 PolarHBondContact O-N 3.15Å; E138-V140 PolarHBondContact O-N 2.85Å; E138-I141 PolarHBondContact O-N 3.17Å; E138-S142 WeakPolarHBondContact O-CB 3.27Å; E138-S142 PolarHBondContact O-N 3.28Å
139	N	94.3	Very high	94.6	Very high	122 Å²	122	44.6 Å²	44.6	65%	0.652	23%	0.225	S	C	*	.	H	α-helix	trans	-63.8	-40.3	178.8	-67.8	-33.6	0	0	0	112.2	L137 F143	L137-N139 VanDerWaalsContact C-N 3.31Å; L137-N139 PolarHBondContact O-N 3.21Å; N139-F143 WeakPolarHBondContact O-CB 3.35Å; N139-F143 PolarHBondContact O-N 3.1Å
140	V	95.7	Very high	94.6	Very high	2 Å²	2	48.5 Å²	48.5	1%	0.012	25%	0.253	C	S	.	.	H	α-helix	trans	-72.5	-40.1	178.5	-177.3	0	0	0	0	110.1	I109 Y112 I118 I128 A132 L137 E138 S142 F143 C144	I109-V140 HydrophobicContact CD1-CG1 4.27Å; Y112-V140 HydrophobicContact CD1-CG2 3.66Å; Y112-V140 HydrophobicContact CD2-CG2 4.24Å; Y112-V140 HydrophobicContact CE1-CG2 3.4Å; Y112-V140 VanDerWaalsContact CE1-CG2 3.4Å; Y112-V140 HydrophobicContact CE2-CG2 4.02Å; Y112-V140 HydrophobicContact CG-CG2 4.07Å; I118-V140 HydrophobicContact CD1-CG1 3.91Å; I128-V140 HydrophobicContact CG2-CG1 3.96Å; A132-V140 HydrophobicContact CB-CB 3.94Å; A132-V140 HydrophobicContact CB-CG1 3.72Å; L137-V140 HydrophobicContact CB-CB 4.12Å; L137-V140 HydrophobicContact CB-CG2 4.11Å; L137-V140 PolarHBondContact O-N 2.82Å; E138-V140 PolarHBondContact O-N 2.85Å; V140-S142 VanDerWaalsContact C-N 3.34Å; V140-S142 PolarHBondContact O-N 2.89Å; V140-F143 PolarHBondContact O-N 3.44Å; V140-C144 WeakPolarHBondContact O-CB 3.37Å; V140-C144 PolarHBondContact O-N 3.18Å; V140-C144 PolarHBondContact O-SG 2.71Å
141	I	95.4	Very high	94.6	Very high	31 Å²	31	52.7 Å²	52.7	16%	0.159	27%	0.265	C	S	.	.	H	α-helix	trans	-58.4	-47.7	174	-64.2	167.7	0	0	0	110.1	L129 A132 L137 E138 F143 C144 C145 L169	L129-I141 HydrophobicContact CD1-CG2 4.22Å; A132-I141 HydrophobicContact CB-CG1 3.87Å; L137-I141 WeakPolarHBondContact O-CG1 3.17Å; L137-I141 PolarHBondContact O-N 3.36Å; E138-I141 PolarHBondContact O-N 3.17Å; I141-F143 PolarHBondContact O-N 3.46Å; I141-C144 PolarHBondContact O-N 2.95Å; I141-C145 PolarHBondContact O-N 3.04Å; I141-C145 PolarHBondContact O-SG 3.45Å; I141-L169 HydrophobicContact CG2-CD2 3.54Å
142	S	95.6	Very high	94.6	Very high	55 Å²	55	53.4 Å²	53.4	39%	0.385	27%	0.269	S	S	.	.	H	α-helix	trans	-60.2	-45.1	177.5	-170.6	0	0	0	0	111.7	E138 V140 C144 C145 D146	E138-S142 WeakPolarHBondContact O-CB 3.27Å; E138-S142 PolarHBondContact O-N 3.28Å; V140-S142 VanDerWaalsContact C-N 3.34Å; V140-S142 PolarHBondContact O-N 2.89Å; S142-C144 PolarHBondContact O-N 3.01Å; S142-C145 WeakPolarHBondContact O-CB 3.16Å; S142-C145 PolarHBondContact O-N 3.26Å; S142-D146 PolarHBondContact O-N 3.04Å
143	F	96.3	Very high	94.4	Very high	95 Å²	95	56.6 Å²	56.6	42%	0.417	29%	0.287	S	S	.	.	H	α-helix	trans	-63.1	-41.3	178.1	-176.1	-128.4	0	0	0	112.4	I118 L120 N139 V140 I141 D146 F147	I118-F143 HydrophobicContact CG2-CD1 3.89Å; I118-F143 HydrophobicContact CG2-CE1 4.06Å; L120-F143 HydrophobicContact CB-CE1 4.41Å; L120-F143 HydrophobicContact CD1-CD1 3.42Å; L120-F143 VanDerWaalsContact CD1-CD1 3.42Å; L120-F143 HydrophobicContact CD1-CE1 3.54Å; L120-F143 HydrophobicContact CD1-CG 4.11Å; L120-F143 HydrophobicContact CD1-CZ 4.28Å; L120-F143 HydrophobicContact CG-CD1 3.87Å; L120-F143 HydrophobicContact CG-CE1 3.61Å; L120-F143 HydrophobicContact CG-CZ 4.49Å; N139-F143 WeakPolarHBondContact O-CB 3.35Å; N139-F143 PolarHBondContact O-N 3.1Å; V140-F143 PolarHBondContact O-N 3.44Å; I141-F143 PolarHBondContact O-N 3.46Å; F143-D146 PolarHBondContact O-N 3.09Å; F143-F147 WeakPolarHBondContact O-CB 3.45Å; F143-F147 PolarHBondContact O-N 3.45Å
144	C	96.2	Very high	94.4	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-62.4	-42.5	173.7	-65.4	0	0	0	0	111.8	L120 V125 L129 V140 I141 S142 D146 F147 L148	L120-C144 HydrophobicContact CD1-CB 4.38Å; V125-C144 HydrophobicContact CG2-CB 4.19Å; L129-C144 HydrophobicContact CB-CB 4.17Å; L129-C144 HydrophobicContact CD1-CB 3.91Å; V140-C144 WeakPolarHBondContact O-CB 3.37Å; V140-C144 PolarHBondContact O-N 3.18Å; V140-C144 PolarHBondContact O-SG 2.71Å; I141-C144 PolarHBondContact O-N 2.95Å; S142-C144 PolarHBondContact O-N 3.01Å; C144-D146 PolarHBondContact O-N 2.94Å; C144-F147 PolarHBondContact O-N 2.97Å; C144-L148 WeakPolarHBondContact O-CB 3.48Å; C144-L148 VanDerWaalsContact O-CG 3.32Å; C144-L148 WeakPolarHBondContact O-CG 3.31Å; C144-L148 PolarHBondContact O-N 2.76Å
145	C	95.9	Very high	94.3	Very high	7 Å²	7	58.7 Å²	58.7	5%	0.047	30%	0.303	C	S	.	.	H	α-helix	trans	-62.2	-42.9	176.9	-67.6	0	0	0	0	112	I141 S142 F149 L172	I141-C145 PolarHBondContact O-N 3.04Å; I141-C145 PolarHBondContact O-SG 3.45Å; S142-C145 WeakPolarHBondContact O-CB 3.16Å; S142-C145 PolarHBondContact O-N 3.26Å; C145-F149 WeakPolarHBondContact O-CB 3.36Å; C145-F149 PolarHBondContact O-N 3.14Å; C145-L172 HydrophobicContact CB-CB 4.31Å; C145-L172 HydrophobicContact CB-CD1 4.45Å
146	D	95.4	Very high	94.2	Very high	66 Å²	66	60.2 Å²	60.2	35%	0.353	31%	0.311	S	S	.	.	H	α-helix	trans	-66.5	-40	178	-70.1	-24.2	0	0	0	111.6	S142 F143 C144 F149 S150 K175	S142-D146 PolarHBondContact O-N 3.04Å; F143-D146 PolarHBondContact O-N 3.09Å; C144-D146 PolarHBondContact O-N 2.94Å; D146-F149 PolarHBondContact O-N 3.45Å; D146-S150 WeakPolarHBondContact O-CB 3.37Å; D146-S150 PolarHBondContact O-N 3.12Å; D146-K175 IonicContact OD1-NZ 3.98Å; D146-K175 PolarHBondContact OD1-NZ 3.21Å
147	F	95.6	Very high	94.4	Very high	34 Å²	34	54.1 Å²	54.1	15%	0.149	28%	0.283	C	S	.	.	H	α-helix	trans	-62	-52.6	173.9	-177.1	-91.5	0	0	0	111.6	L120 L122 V125 F143 C144 F149 S150 W151	L120-F147 HydrophobicContact CB-CD1 4.44Å; L120-F147 HydrophobicContact CB-CD2 4.08Å; L120-F147 HydrophobicContact CB-CE2 4.28Å; L120-F147 HydrophobicContact CB-CG 4.16Å; L120-F147 HydrophobicContact CD1-CB 3.82Å; L120-F147 HydrophobicContact CD1-CG 4.13Å; L122-F147 HydrophobicContact CD2-CE1 4.08Å; L122-F147 HydrophobicContact CD2-CZ 4.41Å; V125-F147 HydrophobicContact CB-CD1 4.09Å; V125-F147 HydrophobicContact CB-CE1 4.19Å; V125-F147 HydrophobicContact CG1-CD1 4.37Å; V125-F147 HydrophobicContact CG1-CE1 4.24Å; V125-F147 HydrophobicContact CG2-CD1 3.88Å; V125-F147 HydrophobicContact CG2-CE1 4.47Å; F143-F147 WeakPolarHBondContact O-CB 3.45Å; F143-F147 PolarHBondContact O-N 3.45Å; C144-F147 PolarHBondContact O-N 2.97Å; F147-F149 VanDerWaalsContact C-N 3.28Å; F147-F149 PolarHBondContact O-N 3.31Å; F147-S150 PolarHBondContact O-N 2.94Å; F147-S150 VanDerWaalsContact O-N 3.08Å; F147-S150 PolarHBondContact O-OG 2.9Å; F147-W151 AromaticContact CE2-CD1 3.98Å; F147-W151 AromaticContact CE2-NE1 3.61Å; F147-W151 AromaticContact CZ-CD1 3.82Å; F147-W151 AromaticContact CZ-NE1 3.64Å; F147-W151 PolarHBondContact O-N 3.04Å
148	L	95.2	Very high	94.4	Very high	18 Å²	18	55.6 Å²	55.6	9%	0.094	29%	0.29	C	S	.	.	H	α-helix	trans	-56.1	-43	177.7	-73.4	172.6	0	0	0	111.7	V125 L129 C144 S150 W151 L152 L163 L172	V125-L148 HydrophobicContact CG1-CD2 3.8Å; V125-L148 HydrophobicContact CG2-CD2 4.01Å; V125-L148 HydrophobicContact CG2-CG 3.95Å; L129-L148 HydrophobicContact CD2-CD1 3.84Å; C144-L148 WeakPolarHBondContact O-CB 3.48Å; C144-L148 VanDerWaalsContact O-CG 3.32Å; C144-L148 WeakPolarHBondContact O-CG 3.31Å; C144-L148 PolarHBondContact O-N 2.76Å; L148-S150 PolarHBondContact O-N 2.74Å; L148-W151 PolarHBondContact O-N 2.89Å; L148-L152 PolarHBondContact O-N 3.27Å; L148-L163 HydrophobicContact CD1-CD1 4.29Å; L148-L163 HydrophobicContact CD2-CD1 4.45Å; L148-L172 HydrophobicContact CD1-CD2 4.1Å
149	F	95.1	Very high	94.5	Very high	65 Å²	65	54.7 Å²	54.7	29%	0.285	29%	0.286	S	S	.	.	H	α-helix	trans	-67.8	-34.6	178.4	-172.8	-103.1	0	0	0	113	C145 D146 F147 W151 L152 L172 K175	C145-F149 WeakPolarHBondContact O-CB 3.36Å; C145-F149 PolarHBondContact O-N 3.14Å; D146-F149 PolarHBondContact O-N 3.45Å; F147-F149 VanDerWaalsContact C-N 3.28Å; F147-F149 PolarHBondContact O-N 3.31Å; F149-W151 PolarHBondContact O-N 3.09Å; F149-L152 HydrophobicContact CD2-CD2 3.9Å; F149-L152 HydrophobicContact CE2-CD2 3.75Å; F149-L152 VanDerWaalsContact O-CB 3.28Å; F149-L152 WeakPolarHBondContact O-CB 3.45Å; F149-L152 PolarHBondContact O-N 3.41Å; F149-L172 HydrophobicContact CB-CD1 4.05Å; F149-K175 HydrophobicContact CB-CD 4.44Å; F149-K175 HydrophobicContact CD1-CD 4.19Å; F149-K175 HydrophobicContact CD2-CB 3.6Å; F149-K175 HydrophobicContact CD2-CD 4.39Å; F149-K175 VanDerWaalsContact CE2-C 3.45Å; F149-K175 HydrophobicContact CE2-CB 3.58Å; F149-K175 VanDerWaalsContact CE2-O 3.29Å; F149-K175 WeakPolarHBondContact CE2-O 3.35Å; F149-K175 HydrophobicContact CG-CB 4.13Å; F149-K175 HydrophobicContact CG-CD 4.06Å; F149-K175 HydrophobicContact CZ-CB 4.07Å
150	S	95.4	Very high	94.5	Very high	83 Å²	83	49.2 Å²	49.2	58%	0.58	26%	0.257	S	S	*	.	H	α-helix	trans	-66.4	-22.1	178.5	71.9	0	0	0	0	113.9	D146 F147 L148	D146-S150 WeakPolarHBondContact O-CB 3.37Å; D146-S150 PolarHBondContact O-N 3.12Å; F147-S150 PolarHBondContact O-N 2.94Å; F147-S150 VanDerWaalsContact O-N 3.08Å; F147-S150 PolarHBondContact O-OG 2.9Å; L148-S150 PolarHBondContact O-N 2.74Å
151	W	93.3	Very high	94.4	Very high	143 Å²	143	49.9 Å²	49.9	54%	0.542	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.5	11.7	176.5	-71	93.1	0	0	0	113	L122 F147 L148 F149 N156	L122-W151 HydrophobicContact CD1-CE3 4.35Å; L122-W151 HydrophobicContact CD1-CZ3 4.49Å; L122-W151 HydrophobicContact CD2-CB 4.21Å; L122-W151 HydrophobicContact CD2-CD2 4.21Å; L122-W151 HydrophobicContact CD2-CG 4.03Å; F147-W151 AromaticContact CE2-CD1 3.98Å; F147-W151 AromaticContact CE2-NE1 3.61Å; F147-W151 AromaticContact CZ-CD1 3.82Å; F147-W151 AromaticContact CZ-NE1 3.64Å; F147-W151 PolarHBondContact O-N 3.04Å; L148-W151 PolarHBondContact O-N 2.89Å; F149-W151 PolarHBondContact O-N 3.09Å; W151-N156 PolarHBondContact O-ND2 3.24Å
152	L	94.4	Very high	94.3	Very high	16 Å²	16	54.1 Å²	54.1	8%	0.084	28%	0.28	C	S	.	.			trans	-69.9	130.4	179.7	-172.2	78.1	0	0	0	111.3	L148 F149 N156 I157 V160 V176 Y179	L148-L152 PolarHBondContact O-N 3.27Å; F149-L152 HydrophobicContact CD2-CD2 3.9Å; F149-L152 HydrophobicContact CE2-CD2 3.75Å; F149-L152 VanDerWaalsContact O-CB 3.28Å; F149-L152 WeakPolarHBondContact O-CB 3.45Å; F149-L152 PolarHBondContact O-N 3.41Å; L152-N156 WeakPolarHBondContact CA-OD1 3.39Å; L152-I157 HydrophobicContact CD1-CG1 4.07Å; L152-I157 HydrophobicContact CG-CG1 4.36Å; L152-V160 HydrophobicContact CD1-CB 3.89Å; L152-V160 HydrophobicContact CD1-CG1 4.13Å; L152-V160 HydrophobicContact CD1-CG2 3.8Å; L152-V176 HydrophobicContact CD1-CG2 4.24Å; L152-V176 HydrophobicContact CD2-CB 4.42Å; L152-V176 HydrophobicContact CD2-CG1 4.27Å; L152-V176 HydrophobicContact CD2-CG2 4.06Å; L152-Y179 HydrophobicContact CD2-CD1 3.86Å; L152-Y179 HydrophobicContact CD2-CD2 3.94Å; L152-Y179 HydrophobicContact CD2-CE1 4.47Å; L152-Y179 HydrophobicContact CD2-CG 3.58Å
153	D	92.8	Very high	94.2	Very high	67 Å²	67	52.3 Å²	52.3	36%	0.358	27%	0.265	S	S	.	.			trans	-142.1	172.7	173.5	67	42.7	0	0	0	111.6	S155 N156 I157	D153-S155 PolarHBondContact O-N 3.46Å; D153-S155 WeakPolarHBondContact OD1-CA 3.49Å; D153-S155 VanDerWaalsContact OD1-CB 3.29Å; D153-S155 WeakPolarHBondContact OD1-CB 3.39Å; D153-S155 PolarHBondContact OD1-N 3.05Å; D153-S155 PolarHBondContact OD1-OG 3.05Å; D153-N156 PolarHBondContact N-OD1 2.91Å; D153-N156 PolarHBondContact O-N 3.22Å; D153-N156 PolarHBondContact O-OD1 2.96Å; D153-N156 VanDerWaalsContact O-OD1 3.04Å; D153-N156 PolarHBondContact OD1-N 3.15Å; D153-N156 VanDerWaalsContact OD1-N 3.12Å; D153-I157 WeakPolarHBondContact O-CG1 3.49Å; D153-I157 PolarHBondContact O-N 3.49Å
154	D	91.3	Very high	94.1	Very high	43 Å²	43	47.8 Å²	47.8	23%	0.23	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-20.8	-177.7	-70.4	-12.9	0	0	0	113.8	L187 V192	D154-L187 HydrophobicContact CB-CD1 4.13Å; D154-V192 WeakPolarHBondContact O-CG1 3.45Å; D154-V192 WeakPolarHBondContact O-CG2 3.25Å
155	S	91	Very high	94	Very high	89 Å²	89	52.2 Å²	52.2	62%	0.622	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.3	-28.8	-178.5	76.4	0	0	0	0	113.8	D153	D153-S155 PolarHBondContact O-N 3.46Å; D153-S155 WeakPolarHBondContact OD1-CA 3.49Å; D153-S155 VanDerWaalsContact OD1-CB 3.29Å; D153-S155 WeakPolarHBondContact OD1-CB 3.39Å; D153-S155 PolarHBondContact OD1-N 3.05Å; D153-S155 PolarHBondContact OD1-OG 3.05Å
156	N	92.2	Very high	93.9	Very high	31 Å²	31	55.8 Å²	55.8	17%	0.166	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.6	2.6	-173.8	69.5	17.7	0	0	0	114.8	W151 L152 D153 L158 E159 V160	W151-N156 PolarHBondContact O-ND2 3.24Å; L152-N156 WeakPolarHBondContact CA-OD1 3.39Å; D153-N156 PolarHBondContact N-OD1 2.91Å; D153-N156 PolarHBondContact O-N 3.22Å; D153-N156 PolarHBondContact O-OD1 2.96Å; D153-N156 VanDerWaalsContact O-OD1 3.04Å; D153-N156 PolarHBondContact OD1-N 3.15Å; D153-N156 VanDerWaalsContact OD1-N 3.12Å; N156-L158 VanDerWaalsContact C-N 3.3Å; N156-L158 PolarHBondContact O-N 3.47Å; N156-E159 PolarHBondContact O-N 3.31Å; N156-E159 VanDerWaalsContact O-N 3.14Å; N156-V160 WeakPolarHBondContact O-CG2 3.32Å; N156-V160 PolarHBondContact O-N 3.36Å
157	I	94.9	Very high	93.7	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-51.2	-45.6	178.7	-76.4	160.3	0	0	0	112.9	L152 D153 E159 V160 L161 V176 Y179 I180 L187 V192 L196	L152-I157 HydrophobicContact CD1-CG1 4.07Å; L152-I157 HydrophobicContact CG-CG1 4.36Å; D153-I157 WeakPolarHBondContact O-CG1 3.49Å; D153-I157 PolarHBondContact O-N 3.49Å; I157-E159 VanDerWaalsContact C-N 3.32Å; I157-E159 PolarHBondContact O-N 2.89Å; I157-V160 PolarHBondContact O-N 3.5Å; I157-L161 HydrophobicContact CG2-CD1 3.73Å; I157-L161 HydrophobicContact CG2-CG 4.28Å; I157-L161 WeakPolarHBondContact O-CB 3.46Å; I157-L161 WeakPolarHBondContact O-CG 3.48Å; I157-L161 PolarHBondContact O-N 3.28Å; I157-V176 HydrophobicContact CG2-CG1 4.22Å; I157-Y179 HydrophobicContact CD1-CD1 4.19Å; I157-Y179 HydrophobicContact CD1-CE1 3.98Å; I157-I180 HydrophobicContact CD1-CG1 4.37Å; I157-I180 HydrophobicContact CG2-CD1 4.05Å; I157-I180 HydrophobicContact CG2-CG1 4.49Å; I157-L187 HydrophobicContact CD1-CD1 3.61Å; I157-L187 HydrophobicContact CD1-CD2 3.96Å; I157-L187 HydrophobicContact CD1-CG 4.43Å; I157-V192 HydrophobicContact CB-CG1 4.33Å; I157-L196 HydrophobicContact CG2-CD2 4.15Å
158	L	94.6	Very high	93.6	Very high	44 Å²	44	56 Å²	56	23%	0.23	30%	0.3	C	S	.	.	H	α-helix	trans	-65	-39.1	-177	-62.7	171.5	0	0	0	111.7	N156 H162 V192 Q195 L196	N156-L158 VanDerWaalsContact C-N 3.3Å; N156-L158 PolarHBondContact O-N 3.47Å; L158-H162 VanDerWaalsContact O-CB 3.27Å; L158-H162 WeakPolarHBondContact O-CB 3.49Å; L158-H162 PolarHBondContact O-N 3.3Å; L158-V192 HydrophobicContact CD1-CB 4.46Å; L158-V192 HydrophobicContact CD1-CG1 4.06Å; L158-V192 HydrophobicContact CD1-CG2 4.38Å; L158-V192 HydrophobicContact CD2-CG1 4.39Å; L158-V192 HydrophobicContact CG-CG1 3.84Å; L158-Q195 HydrophobicContact CD1-CB 3.75Å; L158-Q195 VanDerWaalsContact CD1-OE1 3.31Å; L158-Q195 HydrophobicContact CD2-CB 4.36Å; L158-L196 HydrophobicContact CD2-CD2 3.58Å; L158-L196 HydrophobicContact CD2-CG 4.13Å
159	E	93	Very high	93.5	Very high	137 Å²	137	55.9 Å²	55.9	64%	0.64	30%	0.3	S	S	*	.	H	α-helix	trans	-67.4	-45.5	179.2	-62	-178.3	175	0	0	110.5	N156 I157 H162 L163	N156-E159 PolarHBondContact O-N 3.31Å; N156-E159 VanDerWaalsContact O-N 3.14Å; I157-E159 VanDerWaalsContact C-N 3.32Å; I157-E159 PolarHBondContact O-N 2.89Å; E159-H162 WeakPolarHBondContact O-CB 3.49Å; E159-H162 PolarHBondContact O-N 2.91Å; E159-L163 WeakPolarHBondContact O-CG 3.42Å; E159-L163 PolarHBondContact O-N 2.87Å
160	V	94.7	Very high	93.4	Very high	8 Å²	8	58.1 Å²	58.1	5%	0.048	31%	0.311	C	S	.	.	H	α-helix	trans	-65.7	-40.4	178.1	-179.5	0	0	0	0	111.4	L152 N156 I157 L163 A164 L172 V176	L152-V160 HydrophobicContact CD1-CB 3.89Å; L152-V160 HydrophobicContact CD1-CG1 4.13Å; L152-V160 HydrophobicContact CD1-CG2 3.8Å; N156-V160 WeakPolarHBondContact O-CG2 3.32Å; N156-V160 PolarHBondContact O-N 3.36Å; I157-V160 PolarHBondContact O-N 3.5Å; V160-L163 PolarHBondContact O-N 2.68Å; V160-A164 WeakPolarHBondContact O-CB 2.85Å; V160-A164 PolarHBondContact O-N 3.23Å; V160-L172 HydrophobicContact CG1-CD1 4.16Å; V160-L172 HydrophobicContact CG1-CD2 3.92Å; V160-L172 HydrophobicContact CG1-CG 4.11Å; V160-V176 HydrophobicContact CG1-CG2 3.82Å
161	L	94.7	Very high	93.2	Very high	16 Å²	16	59.8 Å²	59.8	8%	0.084	31%	0.31	C	S	.	.	H	α-helix	trans	-62.7	-44.1	173.6	-75.9	174.5	0	0	0	111.5	I157 L163 A164 D165 V176 I180 L196	I157-L161 HydrophobicContact CG2-CD1 3.73Å; I157-L161 HydrophobicContact CG2-CG 4.28Å; I157-L161 WeakPolarHBondContact O-CB 3.46Å; I157-L161 WeakPolarHBondContact O-CG 3.48Å; I157-L161 PolarHBondContact O-N 3.28Å; L161-L163 PolarHBondContact O-N 2.81Å; L161-A164 CarbonylContact O-C 3.54Å; L161-A164 WeakPolarHBondContact O-CB 3.36Å; L161-A164 PolarHBondContact O-N 2.95Å; L161-A164 VanDerWaalsContact O-N 3.12Å; L161-D165 PolarHBondContact O-N 3.28Å; L161-V176 HydrophobicContact CD1-CG1 4.35Å; L161-V176 HydrophobicContact CD2-CB 4.01Å; L161-V176 HydrophobicContact CD2-CG1 3.65Å; L161-V176 HydrophobicContact CG-CG1 3.83Å; L161-I180 HydrophobicContact CD1-CD1 4.5Å; L161-L196 HydrophobicContact CD1-CD2 3.6Å
162	H	93.6	Very high	93.3	Very high	120 Å²	120	53 Å²	53	56%	0.556	28%	0.284	S	S	*	.	H	α-helix	trans	-59.4	-46.3	176.9	178.4	62.4	0	0	0	111.8	L158 E159 A164 D165 V166	L158-H162 VanDerWaalsContact O-CB 3.27Å; L158-H162 WeakPolarHBondContact O-CB 3.49Å; L158-H162 PolarHBondContact O-N 3.3Å; E159-H162 WeakPolarHBondContact O-CB 3.49Å; E159-H162 PolarHBondContact O-N 2.91Å; H162-A164 VanDerWaalsContact C-N 3.3Å; H162-A164 PolarHBondContact O-N 3.13Å; H162-D165 PolarHBondContact O-N 2.85Å; H162-V166 VanDerWaalsContact CE1-CG2 3.48Å; H162-V166 WeakPolarHBondContact CE1-CG2 3.34Å; H162-V166 WeakPolarHBondContact O-CB 3.44Å; H162-V166 VanDerWaalsContact O-CG2 3.27Å; H162-V166 WeakPolarHBondContact O-CG2 3.15Å; H162-V166 PolarHBondContact O-N 3.27Å
163	L	93.3	Very high	93.3	Very high	17 Å²	17	53.5 Å²	53.5	9%	0.089	29%	0.285	C	S	.	.	H	α-helix	trans	-59.4	-43.3	174.4	-69.5	172.9	0	0	0	111.2	Q126 L148 E159 V160 L161 D165 V166 Y167	Q126-L163 HydrophobicContact CG-CD2 3.87Å; L148-L163 HydrophobicContact CD1-CD1 4.29Å; L148-L163 HydrophobicContact CD2-CD1 4.45Å; E159-L163 WeakPolarHBondContact O-CG 3.42Å; E159-L163 PolarHBondContact O-N 2.87Å; V160-L163 PolarHBondContact O-N 2.68Å; L161-L163 PolarHBondContact O-N 2.81Å; L163-D165 VanDerWaalsContact C-N 3.33Å; L163-D165 PolarHBondContact O-N 3.36Å; L163-V166 PolarHBondContact O-N 3.01Å; L163-Y167 HydrophobicContact CD2-CE2 3.9Å; L163-Y167 WeakPolarHBondContact O-CD2 3.43Å; L163-Y167 PolarHBondContact O-N 3Å; L163-Y167 VanDerWaalsContact O-N 3.08Å
164	A	94.6	Very high	93.3	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-65	-35.8	179.1	0	0	0	0	0	112.7	V160 L161 H162 G168 L169 L172 K173	V160-A164 WeakPolarHBondContact O-CB 2.85Å; V160-A164 PolarHBondContact O-N 3.23Å; L161-A164 CarbonylContact O-C 3.54Å; L161-A164 WeakPolarHBondContact O-CB 3.36Å; L161-A164 PolarHBondContact O-N 2.95Å; L161-A164 VanDerWaalsContact O-N 3.12Å; H162-A164 VanDerWaalsContact C-N 3.3Å; H162-A164 PolarHBondContact O-N 3.13Å; A164-G168 CarbonylContact O-C 3.57Å; A164-G168 WeakPolarHBondContact O-CA 3.2Å; A164-G168 PolarHBondContact O-N 3.36Å; A164-L169 HydrophobicContact CB-CB 4.12Å; A164-L169 PolarHBondContact O-N 3.46Å; A164-L172 HydrophobicContact CB-CB 4.37Å; A164-L172 HydrophobicContact CB-CD2 4.15Å; A164-L172 HydrophobicContact CB-CG 4.29Å; A164-K173 VanDerWaalsContact C-CE 3.44Å; A164-K173 HydrophobicContact CB-CD 4.46Å; A164-K173 HydrophobicContact CB-CG 3.56Å; A164-K173 VanDerWaalsContact O-CE 3.27Å; A164-K173 WeakPolarHBondContact O-CE 3.22Å
165	D	93.4	Very high	93.5	Very high	92 Å²	92	55.2 Å²	55.2	49%	0.492	30%	0.295	S	S	.	.	H	α-helix	trans	-69.2	-48	174.2	-77.8	-34.1	0	0	0	112.3	L161 H162 L163 Y167 G168 K173	L161-D165 PolarHBondContact O-N 3.28Å; H162-D165 PolarHBondContact O-N 2.85Å; L163-D165 VanDerWaalsContact C-N 3.33Å; L163-D165 PolarHBondContact O-N 3.36Å; D165-Y167 VanDerWaalsContact C-N 3.29Å; D165-Y167 PolarHBondContact O-N 3.07Å; D165-G168 PolarHBondContact O-N 3.25Å; D165-K173 WeakPolarHBondContact OD1-CE 3.3Å; D165-K173 IonicContact OD1-NZ 2.82Å; D165-K173 PolarHBondContact OD1-NZ 2.85Å
166	V	92.6	Very high	93.7	Very high	82 Å²	82	51 Å²	51	50%	0.497	27%	0.266	S	S	.	.	H	α-helix	trans	-60	-39.6	-178.2	169.7	0	0	0	0	111.7	H162 L163	H162-V166 VanDerWaalsContact CE1-CG2 3.48Å; H162-V166 WeakPolarHBondContact CE1-CG2 3.34Å; H162-V166 WeakPolarHBondContact O-CB 3.44Å; H162-V166 VanDerWaalsContact O-CG2 3.27Å; H162-V166 WeakPolarHBondContact O-CG2 3.15Å; H162-V166 PolarHBondContact O-N 3.27Å; L163-V166 PolarHBondContact O-N 3.01Å
167	Y	91.9	Very high	93.8	Very high	58 Å²	58	51.8 Å²	51.8	23%	0.227	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.5	4.9	-177.3	-58.9	-64.9	0	0	0	114.3	L129 M130 L163 D165 L169	L129-Y167 HydrophobicContact CD2-CD2 4.02Å; L129-Y167 HydrophobicContact CD2-CE2 4.37Å; L129-Y167 HydrophobicContact CG-CD2 4.19Å; L129-Y167 HydrophobicContact CG-CE2 4.48Å; M130-Y167 HydrophobicContact CB-CE1 4.12Å; M130-Y167 WeakPolarHBondContact CB-OH 3.41Å; M130-Y167 HydrophobicContact CG-CE1 4.04Å; M130-Y167 WeakPolarHBondContact CG-OH 3.44Å; L163-Y167 HydrophobicContact CD2-CE2 3.9Å; L163-Y167 WeakPolarHBondContact O-CD2 3.43Å; L163-Y167 PolarHBondContact O-N 3Å; L163-Y167 VanDerWaalsContact O-N 3.08Å; D165-Y167 VanDerWaalsContact C-N 3.29Å; D165-Y167 PolarHBondContact O-N 3.07Å; Y167-L169 PolarHBondContact O-N 3.33Å
168	G	92.8	Very high	93.8	Very high	47 Å²	47	53.9 Å²	53.9	49%	0.485	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	64	34.7	178.6	0	0	0	0	0	114.3	A164 D165 E170	A164-G168 CarbonylContact O-C 3.57Å; A164-G168 WeakPolarHBondContact O-CA 3.2Å; A164-G168 PolarHBondContact O-N 3.36Å; D165-G168 PolarHBondContact O-N 3.25Å; G168-E170 VanDerWaalsContact C-N 3.34Å; G168-E170 PolarHBondContact O-N 3.08Å
169	L	94	Very high	93.8	Very high	15 Å²	15	54.2 Å²	54.2	8%	0.079	28%	0.281	C	S	.	.			trans	-84.6	70.3	-174.5	-51.6	173.8	0	0	0	111.6	L129 I141 A164 Y167 H171 L172 K173	L129-L169 HydrophobicContact CD1-CD1 3.95Å; L129-L169 HydrophobicContact CD2-CD1 3.8Å; L129-L169 HydrophobicContact CG-CD1 4.35Å; I141-L169 HydrophobicContact CG2-CD2 3.54Å; A164-L169 HydrophobicContact CB-CB 4.12Å; A164-L169 PolarHBondContact O-N 3.46Å; Y167-L169 PolarHBondContact O-N 3.33Å; L169-H171 VanDerWaalsContact C-N 3.28Å; L169-H171 PolarHBondContact O-N 3.37Å; L169-L172 HydrophobicContact CB-CB 3.97Å; L169-L172 HydrophobicContact CD1-CD2 4.1Å; L169-L172 WeakPolarHBondContact O-CB 3.32Å; L169-L172 PolarHBondContact O-N 3.36Å; L169-K173 PolarHBondContact O-N 2.94Å; L169-K173 VanDerWaalsContact O-N 3.09Å
170	E	92.8	Very high	94	Very high	113 Å²	113	47.7 Å²	47.7	53%	0.528	25%	0.251	S	S	.	.	H	α-helix	trans	-58.3	-36.6	-174.5	-66.5	-55.6	135.6	0	0	113.6	G168 L172 K173 V174	G168-E170 VanDerWaalsContact C-N 3.34Å; G168-E170 PolarHBondContact O-N 3.08Å; E170-L172 PolarHBondContact O-N 3.24Å; E170-K173 PolarHBondContact O-N 3.48Å; E170-K173 IonicContact OE1-NZ 2.67Å; E170-K173 PolarHBondContact OE1-NZ 2.81Å; E170-V174 WeakPolarHBondContact O-CG2 3.39Å; E170-V174 PolarHBondContact O-N 3.26Å
171	H	92.2	Very high	94	Very high	118 Å²	118	48.4 Å²	48.4	55%	0.546	25%	0.254	S	S	.	.	H	α-helix	trans	-65.4	-37.6	177	-175.8	-111.3	0	0	0	112.6	L169 V174 K175	L169-H171 VanDerWaalsContact C-N 3.28Å; L169-H171 PolarHBondContact O-N 3.37Å; H171-V174 PolarHBondContact O-N 2.89Å; H171-K175 WeakPolarHBondContact CE1-CE 3.44Å; H171-K175 WeakPolarHBondContact O-CG 3.48Å; H171-K175 PolarHBondContact O-N 2.86Å; H171-K175 VanDerWaalsContact O-N 3.15Å
172	L	95.1	Very high	94	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-67.4	-42.5	175.2	-178.6	57.6	0	0	0	110.6	C145 L148 F149 V160 A164 L169 E170 V174 K175 V176	C145-L172 HydrophobicContact CB-CB 4.31Å; C145-L172 HydrophobicContact CB-CD1 4.45Å; L148-L172 HydrophobicContact CD1-CD2 4.1Å; F149-L172 HydrophobicContact CB-CD1 4.05Å; V160-L172 HydrophobicContact CG1-CD1 4.16Å; V160-L172 HydrophobicContact CG1-CD2 3.92Å; V160-L172 HydrophobicContact CG1-CG 4.11Å; A164-L172 HydrophobicContact CB-CB 4.37Å; A164-L172 HydrophobicContact CB-CD2 4.15Å; A164-L172 HydrophobicContact CB-CG 4.29Å; L169-L172 HydrophobicContact CB-CB 3.97Å; L169-L172 HydrophobicContact CD1-CD2 4.1Å; L169-L172 WeakPolarHBondContact O-CB 3.32Å; L169-L172 PolarHBondContact O-N 3.36Å; E170-L172 PolarHBondContact O-N 3.24Å; L172-V174 VanDerWaalsContact C-N 3.33Å; L172-V174 PolarHBondContact O-N 3.38Å; L172-K175 WeakPolarHBondContact O-CB 3.39Å; L172-K175 PolarHBondContact O-N 3.12Å; L172-K175 VanDerWaalsContact O-N 3.13Å; L172-V176 HydrophobicContact CD1-CG2 4.25Å; L172-V176 HydrophobicContact CG-CG2 4.41Å; L172-V176 WeakPolarHBondContact O-CG2 3.48Å; L172-V176 PolarHBondContact O-N 3.15Å
173	K	93.9	Very high	94	Very high	27 Å²	27	51.3 Å²	51.3	12%	0.117	26%	0.263	C	S	.	.	H	α-helix	trans	-57.3	-45.5	174.9	-63.4	-175.7	-165.7	172.1	0	112	A164 D165 L169 E170 K175 V176 H177	A164-K173 VanDerWaalsContact C-CE 3.44Å; A164-K173 HydrophobicContact CB-CD 4.46Å; A164-K173 HydrophobicContact CB-CG 3.56Å; A164-K173 VanDerWaalsContact O-CE 3.27Å; A164-K173 WeakPolarHBondContact O-CE 3.22Å; D165-K173 WeakPolarHBondContact OD1-CE 3.3Å; D165-K173 IonicContact OD1-NZ 2.82Å; D165-K173 PolarHBondContact OD1-NZ 2.85Å; L169-K173 PolarHBondContact O-N 2.94Å; L169-K173 VanDerWaalsContact O-N 3.09Å; E170-K173 PolarHBondContact O-N 3.48Å; E170-K173 IonicContact OE1-NZ 2.67Å; E170-K173 PolarHBondContact OE1-NZ 2.81Å; K173-K175 VanDerWaalsContact C-N 3.31Å; K173-K175 PolarHBondContact O-N 3.02Å; K173-V176 PolarHBondContact O-N 3.4Å; K173-H177 WeakPolarHBondContact O-CB 3.45Å; K173-H177 VanDerWaalsContact O-CG 3.23Å; K173-H177 PolarHBondContact O-N 3.4Å
174	V	93.7	Very high	94.1	Very high	94 Å²	94	50.7 Å²	50.7	57%	0.57	26%	0.26	S	S	*	.	H	α-helix	trans	-59.5	-42.7	177	172	0	0	0	0	111.2	E170 H171 L172 S178	E170-V174 WeakPolarHBondContact O-CG2 3.39Å; E170-V174 PolarHBondContact O-N 3.26Å; H171-V174 PolarHBondContact O-N 2.89Å; L172-V174 VanDerWaalsContact C-N 3.33Å; L172-V174 PolarHBondContact O-N 3.38Å; V174-S178 PolarHBondContact O-N 3.04Å
175	K	94.5	Very high	93.9	Very high	52 Å²	52	55.9 Å²	55.9	23%	0.226	28%	0.284	C	S	.	.	H	α-helix	trans	-63	-47	175.8	-74.4	-176.4	170.4	-176.2	0	112	D146 F149 H171 L172 K173 S178 Y179	D146-K175 IonicContact OD1-NZ 3.98Å; D146-K175 PolarHBondContact OD1-NZ 3.21Å; F149-K175 HydrophobicContact CB-CD 4.44Å; F149-K175 HydrophobicContact CD1-CD 4.19Å; F149-K175 HydrophobicContact CD2-CB 3.6Å; F149-K175 HydrophobicContact CD2-CD 4.39Å; F149-K175 VanDerWaalsContact CE2-C 3.45Å; F149-K175 HydrophobicContact CE2-CB 3.58Å; F149-K175 VanDerWaalsContact CE2-O 3.29Å; F149-K175 WeakPolarHBondContact CE2-O 3.35Å; F149-K175 HydrophobicContact CG-CB 4.13Å; F149-K175 HydrophobicContact CG-CD 4.06Å; F149-K175 HydrophobicContact CZ-CB 4.07Å; H171-K175 WeakPolarHBondContact CE1-CE 3.44Å; H171-K175 WeakPolarHBondContact O-CG 3.48Å; H171-K175 PolarHBondContact O-N 2.86Å; H171-K175 VanDerWaalsContact O-N 3.15Å; L172-K175 WeakPolarHBondContact O-CB 3.39Å; L172-K175 PolarHBondContact O-N 3.12Å; L172-K175 VanDerWaalsContact O-N 3.13Å; K173-K175 VanDerWaalsContact C-N 3.31Å; K173-K175 PolarHBondContact O-N 3.02Å; K175-S178 WeakPolarHBondContact O-CB 3.27Å; K175-S178 PolarHBondContact O-N 3.48Å; K175-Y179 PolarHBondContact O-N 3.31Å
176	V	95.6	Very high	93.9	Very high	0 Å²	0	55 Å²	55	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-63.2	-43.5	177.9	177.8	0	0	0	0	111.2	L152 I157 V160 L161 L172 K173 S178 Y179 I180	L152-V176 HydrophobicContact CD1-CG2 4.24Å; L152-V176 HydrophobicContact CD2-CB 4.42Å; L152-V176 HydrophobicContact CD2-CG1 4.27Å; L152-V176 HydrophobicContact CD2-CG2 4.06Å; I157-V176 HydrophobicContact CG2-CG1 4.22Å; V160-V176 HydrophobicContact CG1-CG2 3.82Å; L161-V176 HydrophobicContact CD1-CG1 4.35Å; L161-V176 HydrophobicContact CD2-CB 4.01Å; L161-V176 HydrophobicContact CD2-CG1 3.65Å; L161-V176 HydrophobicContact CG-CG1 3.83Å; L172-V176 HydrophobicContact CD1-CG2 4.25Å; L172-V176 HydrophobicContact CG-CG2 4.41Å; L172-V176 WeakPolarHBondContact O-CG2 3.48Å; L172-V176 PolarHBondContact O-N 3.15Å; K173-V176 PolarHBondContact O-N 3.4Å; V176-S178 VanDerWaalsContact C-N 3.32Å; V176-S178 PolarHBondContact O-N 2.98Å; V176-Y179 WeakPolarHBondContact O-CA 3.45Å; V176-Y179 VanDerWaalsContact O-CB 3.31Å; V176-Y179 WeakPolarHBondContact O-CB 3.41Å; V176-Y179 PolarHBondContact O-N 3.5Å; V176-I180 HydrophobicContact CG1-CD1 4.13Å; V176-I180 WeakPolarHBondContact O-CG1 3.32Å; V176-I180 PolarHBondContact O-N 2.83Å
177	H	94	Very high	94.1	Very high	48 Å²	48	51.1 Å²	51.1	22%	0.222	26%	0.259	C	S	.	.	H	α-helix	trans	-60	-41.9	173.7	-69.8	173.4	0	0	0	111.7	K173 Y179 I180 L181 M204	K173-H177 WeakPolarHBondContact O-CB 3.45Å; K173-H177 VanDerWaalsContact O-CG 3.23Å; K173-H177 PolarHBondContact O-N 3.4Å; H177-Y179 VanDerWaalsContact C-N 3.26Å; H177-Y179 PolarHBondContact O-N 3.13Å; H177-I180 PolarHBondContact O-N 3.31Å; H177-L181 VanDerWaalsContact O-CG 3.29Å; H177-L181 WeakPolarHBondContact O-CG 3.45Å; H177-L181 PolarHBondContact O-N 2.68Å; H177-M204 HydrophobicContact CB-CE 4.45Å; H177-M204 WeakPolarHBondContact CD2-CE 3.35Å
178	S	94.6	Very high	94.3	Very high	43 Å²	43	48.6 Å²	48.6	30%	0.301	25%	0.249	S	C	.	.	H	α-helix	trans	-63.4	-31.9	173.7	-178.2	0	0	0	0	112.8	V174 K175 V176 R182	V174-S178 PolarHBondContact O-N 3.04Å; K175-S178 WeakPolarHBondContact O-CB 3.27Å; K175-S178 PolarHBondContact O-N 3.48Å; V176-S178 VanDerWaalsContact C-N 3.32Å; V176-S178 PolarHBondContact O-N 2.98Å; S178-R182 WeakPolarHBondContact O-CD 3.44Å; S178-R182 VanDerWaalsContact O-CG 3.24Å; S178-R182 WeakPolarHBondContact O-CG 3.26Å; S178-R182 PolarHBondContact O-N 3.36Å
179	Y	95.6	Very high	94.4	Very high	51 Å²	51	51.7 Å²	51.7	20%	0.2	25%	0.246	C	C	.	.	H	α-helix	trans	-67.3	-47.1	173.5	178.1	-84.9	0	0	0	110.8	L152 I157 K175 V176 H177 L181 R182 N183	L152-Y179 HydrophobicContact CD2-CD1 3.86Å; L152-Y179 HydrophobicContact CD2-CD2 3.94Å; L152-Y179 HydrophobicContact CD2-CE1 4.47Å; L152-Y179 HydrophobicContact CD2-CG 3.58Å; I157-Y179 HydrophobicContact CD1-CD1 4.19Å; I157-Y179 HydrophobicContact CD1-CE1 3.98Å; K175-Y179 PolarHBondContact O-N 3.31Å; V176-Y179 WeakPolarHBondContact O-CA 3.45Å; V176-Y179 VanDerWaalsContact O-CB 3.31Å; V176-Y179 WeakPolarHBondContact O-CB 3.41Å; V176-Y179 PolarHBondContact O-N 3.5Å; H177-Y179 VanDerWaalsContact C-N 3.26Å; H177-Y179 PolarHBondContact O-N 3.13Å; Y179-L181 PolarHBondContact O-N 3.08Å; Y179-R182 PolarHBondContact O-N 2.95Å; Y179-R182 VanDerWaalsContact O-N 3.12Å; Y179-N183 HydrophobicContact CE1-CB 4.33Å; Y179-N183 WeakPolarHBondContact CE2-ND2 3.24Å; Y179-N183 PolarHBondContact O-N 3.34Å; Y179-N183 VanDerWaalsContact O-N 3.07Å; Y179-N183 PolarHBondContact O-ND2 3.37Å
180	I	95.7	Very high	94.4	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-59.6	-45.7	178.2	-65.9	166.3	0	0	0	110.9	I157 L161 V176 H177 R182 N183 I184 L187 L196 M204	I157-I180 HydrophobicContact CD1-CG1 4.37Å; I157-I180 HydrophobicContact CG2-CD1 4.05Å; I157-I180 HydrophobicContact CG2-CG1 4.49Å; L161-I180 HydrophobicContact CD1-CD1 4.5Å; V176-I180 HydrophobicContact CG1-CD1 4.13Å; V176-I180 WeakPolarHBondContact O-CG1 3.32Å; V176-I180 PolarHBondContact O-N 2.83Å; H177-I180 PolarHBondContact O-N 3.31Å; I180-R182 PolarHBondContact O-N 2.59Å; I180-N183 CarbonylContact O-C 3.56Å; I180-N183 PolarHBondContact O-N 3.37Å; I180-N183 VanDerWaalsContact O-N 3.16Å; I180-I184 HydrophobicContact CG2-CD1 4.4Å; I180-I184 PolarHBondContact O-N 3.08Å; I180-L187 HydrophobicContact CB-CD2 4.17Å; I180-L187 HydrophobicContact CG1-CD2 3.84Å; I180-L187 HydrophobicContact CG2-CD2 3.71Å; I180-L196 HydrophobicContact CD1-CD1 4.43Å; I180-M204 HydrophobicContact CB-CE 4.48Å; I180-M204 HydrophobicContact CB-SD 4.16Å; I180-M204 HydrophobicContact CD1-CE 3.59Å; I180-M204 HydrophobicContact CD1-SD 4.07Å; I180-M204 HydrophobicContact CG2-CE 4.34Å; I180-M204 HydrophobicContact CG2-CG 4.49Å; I180-M204 HydrophobicContact CG2-SD 3.44Å; I180-M204 WeakPolarHBondContact CG2-SD 3.46Å
181	L	95.6	Very high	94.4	Very high	23 Å²	23	52.5 Å²	52.5	12%	0.12	26%	0.256	C	S	.	.	H	α-helix	trans	-60.3	-27.6	178.6	-69.8	175.8	0	0	0	113.4	H177 Y179 M204 A209 L210 Q211	H177-L181 VanDerWaalsContact O-CG 3.29Å; H177-L181 WeakPolarHBondContact O-CG 3.45Å; H177-L181 PolarHBondContact O-N 2.68Å; Y179-L181 PolarHBondContact O-N 3.08Å; L181-M204 HydrophobicContact CD2-CB 3.97Å; L181-M204 HydrophobicContact CD2-CG 4.3Å; L181-M204 WeakPolarHBondContact CD2-O 3.29Å; L181-A209 HydrophobicContact CD1-CB 4.07Å; L181-L210 HydrophobicContact CD2-CB 4.24Å; L181-L210 HydrophobicContact CD2-CD1 3.63Å; L181-Q211 PolarHBondContact O-N 2.97Å
182	R	94.3	Very high	94.5	Very high	146 Å²	146	47.9 Å²	47.9	55%	0.551	24%	0.236	S	C	*	.	H	α-helix	trans	-84.2	-30.6	178.2	-70.4	174	-177.9	-176.6	3.3	113.1	S178 Y179 I180 Q211	S178-R182 WeakPolarHBondContact O-CD 3.44Å; S178-R182 VanDerWaalsContact O-CG 3.24Å; S178-R182 WeakPolarHBondContact O-CG 3.26Å; S178-R182 PolarHBondContact O-N 3.36Å; Y179-R182 PolarHBondContact O-N 2.95Å; Y179-R182 VanDerWaalsContact O-N 3.12Å; I180-R182 PolarHBondContact O-N 2.59Å; R182-Q211 HydrophobicContact CG-CG 4.33Å
183	N	94.2	Very high	94.5	Very high	52 Å²	52	48 Å²	48	28%	0.278	24%	0.236	S	C	.	.	H	α-helix	trans	-113.6	17.1	-171.7	-61.5	-65.1	0	0	0	113.2	Y179 I180 Q185 T186 L187	Y179-N183 HydrophobicContact CE1-CB 4.33Å; Y179-N183 WeakPolarHBondContact CE2-ND2 3.24Å; Y179-N183 PolarHBondContact O-N 3.34Å; Y179-N183 VanDerWaalsContact O-N 3.07Å; Y179-N183 PolarHBondContact O-ND2 3.37Å; I180-N183 CarbonylContact O-C 3.56Å; I180-N183 PolarHBondContact O-N 3.37Å; I180-N183 VanDerWaalsContact O-N 3.16Å; N183-Q185 PolarHBondContact O-N 3.13Å; N183-Q185 VanDerWaalsContact O-N 3.08Å; N183-T186 PolarHBondContact O-N 3.49Å; N183-T186 VanDerWaalsContact O-N 3.15Å; N183-T186 PolarHBondContact O-OG1 3.14Å; N183-T186 VanDerWaalsContact O-OG1 3.09Å; N183-L187 VanDerWaalsContact O-CB 3.29Å; N183-L187 WeakPolarHBondContact O-CB 3.23Å; N183-L187 PolarHBondContact O-N 2.94Å
184	I	94.6	Very high	94.6	Very high	3 Å²	3	49.5 Å²	49.5	2%	0.015	24%	0.241	C	C	.	.	H	α-helix	trans	-55.4	-33.1	-175.7	-167.2	63.4	0	0	0	113	I180 T186 S188 Y193 L205 L210 V212 A221	I180-I184 HydrophobicContact CG2-CD1 4.4Å; I180-I184 PolarHBondContact O-N 3.08Å; I184-T186 PolarHBondContact O-N 3.04Å; I184-S188 WeakPolarHBondContact O-CB 3.23Å; I184-S188 PolarHBondContact O-N 2.92Å; I184-S188 PolarHBondContact O-OG 2.94Å; I184-Y193 HydrophobicContact CD1-CD2 4.24Å; I184-Y193 HydrophobicContact CD1-CE2 3.55Å; I184-L205 HydrophobicContact CD1-CD2 4.3Å; I184-L205 HydrophobicContact CG1-CD2 4.23Å; I184-L210 HydrophobicContact CB-CD1 3.94Å; I184-L210 HydrophobicContact CG1-CD1 4.11Å; I184-L210 HydrophobicContact CG2-CD1 3.77Å; I184-L210 HydrophobicContact CG2-CG 4.25Å; I184-V212 HydrophobicContact CG2-CG1 3.74Å; I184-A221 HydrophobicContact CG1-CB 4.13Å
185	Q	91.6	Very high	94.6	Very high	110 Å²	110	51.1 Å²	51.1	51%	0.514	24%	0.243	S	C	.	.	H	α-helix	trans	-63	-43.6	-179	-172.5	179.2	31.2	0	0	112.3	N183 S188 E217	N183-Q185 PolarHBondContact O-N 3.13Å; N183-Q185 VanDerWaalsContact O-N 3.08Å; Q185-S188 PolarHBondContact O-OG 3.5Å; Q185-E217 PolarHBondContact NE2-OE1 3.18Å
186	T	93.7	Very high	94.7	Very high	74 Å²	74	48.9 Å²	48.9	45%	0.454	23%	0.233	S	C	.	.	H	α-helix	trans	-81.7	-46.5	177.4	54.2	0	0	0	0	110.7	N183 I184 S188 R189	N183-T186 PolarHBondContact O-N 3.49Å; N183-T186 VanDerWaalsContact O-N 3.15Å; N183-T186 PolarHBondContact O-OG1 3.14Å; N183-T186 VanDerWaalsContact O-OG1 3.09Å; I184-T186 PolarHBondContact O-N 3.04Å; T186-S188 VanDerWaalsContact C-N 3.33Å; T186-S188 PolarHBondContact O-N 2.75Å; T186-R189 PolarHBondContact O-N 2.69Å
187	L	95.3	Very high	94.6	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-60.4	-41.1	-176	-178.2	65.7	0	0	0	111.9	D154 I157 I180 N183 R189 T190 V192 Y193	D154-L187 HydrophobicContact CB-CD1 4.13Å; I157-L187 HydrophobicContact CD1-CD1 3.61Å; I157-L187 HydrophobicContact CD1-CD2 3.96Å; I157-L187 HydrophobicContact CD1-CG 4.43Å; I180-L187 HydrophobicContact CB-CD2 4.17Å; I180-L187 HydrophobicContact CG1-CD2 3.84Å; I180-L187 HydrophobicContact CG2-CD2 3.71Å; N183-L187 VanDerWaalsContact O-CB 3.29Å; N183-L187 WeakPolarHBondContact O-CB 3.23Å; N183-L187 PolarHBondContact O-N 2.94Å; L187-R189 PolarHBondContact O-N 3.26Å; L187-T190 WeakPolarHBondContact O-CB 3.39Å; L187-T190 PolarHBondContact O-N 3.38Å; L187-T190 PolarHBondContact O-OG1 3.39Å; L187-V192 HydrophobicContact CD1-CG1 4.34Å; L187-Y193 HydrophobicContact CD2-CD2 4.47Å; L187-Y193 HydrophobicContact CG-CD2 4.4Å; L187-Y193 VanDerWaalsContact O-CB 3.25Å; L187-Y193 WeakPolarHBondContact O-CB 3.39Å
188	S	95.9	Very high	94.7	Very high	4 Å²	4	53.7 Å²	53.7	3%	0.028	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-25.4	-176.5	64.6	0	0	0	0	113.8	I184 Q185 T186 T190 Y193 H224	I184-S188 WeakPolarHBondContact O-CB 3.23Å; I184-S188 PolarHBondContact O-N 2.92Å; I184-S188 PolarHBondContact O-OG 2.94Å; Q185-S188 PolarHBondContact O-OG 3.5Å; T186-S188 VanDerWaalsContact C-N 3.33Å; T186-S188 PolarHBondContact O-N 2.75Å; S188-T190 VanDerWaalsContact C-N 3.3Å; S188-T190 PolarHBondContact O-N 3.49Å; S188-Y193 WeakPolarHBondContact O-CD1 3.29Å; S188-H224 WeakPolarHBondContact O-CB 3.15Å; S188-H224 PolarHBondContact OG-ND1 2.75Å
189	R	94.8	Very high	94.7	Very high	112 Å²	112	56.2 Å²	56.2	42%	0.423	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-14	179	-64.1	173.5	172.9	-115.1	-6.8	113.1	T186 L187 P229 E233	T186-R189 PolarHBondContact O-N 2.69Å; L187-R189 PolarHBondContact O-N 3.26Å; R189-P229 HydrophobicContact CB-CG 4.35Å; R189-P229 WeakPolarHBondContact O-CG 3.38Å; R189-E233 IonicContact CZ-OE1 3.88Å; R189-E233 IonicContact NH1-OE1 3.74Å; R189-E233 PolarHBondContact NH1-OE1 2.98Å; R189-E233 IonicContact NH2-OE1 2.87Å
190	T	94.8	Very high	94.6	Very high	39 Å²	39	55.7 Å²	55.7	24%	0.239	27%	0.269	C	S	.	.	S	Bend	trans	-85.6	159.4	-175.8	71.5	0	0	0	0	112.5	L187 S188 V192 Y193	L187-T190 WeakPolarHBondContact O-CB 3.39Å; L187-T190 PolarHBondContact O-N 3.38Å; L187-T190 PolarHBondContact O-OG1 3.39Å; S188-T190 VanDerWaalsContact C-N 3.3Å; S188-T190 PolarHBondContact O-N 3.49Å; T190-V192 VanDerWaalsContact C-N 3.25Å; T190-V192 PolarHBondContact O-N 3.3Å; T190-V192 PolarHBondContact OG1-N 3.19Å; T190-Y193 PolarHBondContact OG1-N 3.18Å
191	D	92.5	Very high	94.7	Very high	106 Å²	106	55.7 Å²	55.7	57%	0.567	27%	0.269	S	S	*	.	H	α-helix	trans	-68.9	-26	171.1	-70.2	-39.7	0	0	0	112.9	Y193 R194 Q195	D191-Y193 VanDerWaalsContact C-N 3.3Å; D191-Y193 PolarHBondContact O-N 3.36Å; D191-R194 PolarHBondContact O-N 3.27Å; D191-R194 IonicContact OD1-CZ 2.68Å; D191-R194 IonicContact OD1-NE 2.81Å; D191-R194 PolarHBondContact OD1-NE 3.44Å; D191-R194 IonicContact OD1-NH2 3.69Å; D191-R194 PolarHBondContact OD1-NH2 3.34Å; D191-Q195 WeakPolarHBondContact O-CG 3.46Å; D191-Q195 PolarHBondContact O-N 3.5Å
192	V	94.2	Very high	94.7	Very high	22 Å²	22	57 Å²	57	13%	0.133	27%	0.274	C	S	.	.	H	α-helix	trans	-59.9	-42.7	177.3	165.3	0	0	0	0	110.8	D154 I157 L158 L187 T190 R194 Q195 L196	D154-V192 WeakPolarHBondContact O-CG1 3.45Å; D154-V192 WeakPolarHBondContact O-CG2 3.25Å; I157-V192 HydrophobicContact CB-CG1 4.33Å; L158-V192 HydrophobicContact CD1-CB 4.46Å; L158-V192 HydrophobicContact CD1-CG1 4.06Å; L158-V192 HydrophobicContact CD1-CG2 4.38Å; L158-V192 HydrophobicContact CD2-CG1 4.39Å; L158-V192 HydrophobicContact CG-CG1 3.84Å; L187-V192 HydrophobicContact CD1-CG1 4.34Å; T190-V192 VanDerWaalsContact C-N 3.25Å; T190-V192 PolarHBondContact O-N 3.3Å; T190-V192 PolarHBondContact OG1-N 3.19Å; V192-R194 VanDerWaalsContact C-N 3.32Å; V192-R194 PolarHBondContact O-N 2.85Å; V192-Q195 PolarHBondContact O-N 3.48Å; V192-Q195 VanDerWaalsContact O-N 3.08Å; V192-L196 PolarHBondContact O-N 3.21Å
193	Y	95.8	Very high	94.8	Very high	1 Å²	1	57.7 Å²	57.7	0%	0.004	28%	0.277	C	S	.	.	H	α-helix	trans	-60.1	-39.7	178.2	176.9	-109.7	0	0	0	113.5	I184 L187 S188 T190 D191 Q195 L196 V201 A221 Y225	I184-Y193 HydrophobicContact CD1-CD2 4.24Å; I184-Y193 HydrophobicContact CD1-CE2 3.55Å; L187-Y193 HydrophobicContact CD2-CD2 4.47Å; L187-Y193 HydrophobicContact CG-CD2 4.4Å; L187-Y193 VanDerWaalsContact O-CB 3.25Å; L187-Y193 WeakPolarHBondContact O-CB 3.39Å; S188-Y193 WeakPolarHBondContact O-CD1 3.29Å; T190-Y193 PolarHBondContact OG1-N 3.18Å; D191-Y193 VanDerWaalsContact C-N 3.3Å; D191-Y193 PolarHBondContact O-N 3.36Å; Y193-Q195 PolarHBondContact O-N 2.69Å; Y193-L196 HydrophobicContact CD2-CD1 3.96Å; Y193-L196 WeakPolarHBondContact O-CB 3.43Å; Y193-L196 PolarHBondContact O-N 3.4Å; Y193-V201 HydrophobicContact CE2-CG1 3.68Å; Y193-V201 HydrophobicContact CE2-CG2 4.27Å; Y193-V201 VanDerWaalsContact OH-CG1 3.24Å; Y193-V201 WeakPolarHBondContact OH-CG1 3.47Å; Y193-A221 VanDerWaalsContact CE1-O 3.23Å; Y193-A221 WeakPolarHBondContact CE1-O 3.44Å; Y193-A221 PolarHBondContact OH-O 3.47Å; Y193-Y225 HydrophobicContact CD1-CD2 4.26Å; Y193-Y225 AromaticContact CE1-CD2 3.99Å; Y193-Y225 HydrophobicContact CE1-CD2 3.99Å; Y193-Y225 HydrophobicContact CE1-CG 4.38Å
194	R	94.7	Very high	94.9	Very high	59 Å²	59	55.8 Å²	55.8	22%	0.223	27%	0.266	C	S	.	.	H	α-helix	trans	-68	-21.3	177.5	-71	-176.6	-90.3	-91	-2.4	113.4	D191 V192 H224 Y227	D191-R194 PolarHBondContact O-N 3.27Å; D191-R194 IonicContact OD1-CZ 2.68Å; D191-R194 IonicContact OD1-NE 2.81Å; D191-R194 PolarHBondContact OD1-NE 3.44Å; D191-R194 IonicContact OD1-NH2 3.69Å; D191-R194 PolarHBondContact OD1-NH2 3.34Å; V192-R194 VanDerWaalsContact C-N 3.32Å; V192-R194 PolarHBondContact O-N 2.85Å; R194-H224 VanDerWaalsContact CG-O 3.23Å; R194-H224 WeakPolarHBondContact CG-O 3.44Å; R194-H224 PolarHBondContact NH1-O 2.69Å; R194-H224 VanDerWaalsContact NH1-O 3.17Å; R194-Y227 PolarHBondContact NH1-O 3.25Å
195	Q	95.4	Very high	95	Very high	129 Å²	129	55.6 Å²	55.6	60%	0.603	27%	0.265	S	S	*	.	H	α-helix	trans	-89.7	-9.5	178.8	-66	174.1	35.8	0	0	112.7	L158 D191 V192 Y193	L158-Q195 HydrophobicContact CD1-CB 3.75Å; L158-Q195 VanDerWaalsContact CD1-OE1 3.31Å; L158-Q195 HydrophobicContact CD2-CB 4.36Å; D191-Q195 WeakPolarHBondContact O-CG 3.46Å; D191-Q195 PolarHBondContact O-N 3.5Å; V192-Q195 PolarHBondContact O-N 3.48Å; V192-Q195 VanDerWaalsContact O-N 3.08Å; Y193-Q195 PolarHBondContact O-N 2.69Å
196	L	95.1	Very high	95.2	Very high	4 Å²	4	52.4 Å²	52.4	2%	0.021	26%	0.255	C	S	.	.	S	Bend	trans	-65.5	148.4	175.8	-70.6	170.1	0	0	0	111.2	I157 L158 L161 I180 V192 Y193 E198 V201 Y225	I157-L196 HydrophobicContact CG2-CD2 4.15Å; L158-L196 HydrophobicContact CD2-CD2 3.58Å; L158-L196 HydrophobicContact CD2-CG 4.13Å; L161-L196 HydrophobicContact CD1-CD2 3.6Å; I180-L196 HydrophobicContact CD1-CD1 4.43Å; V192-L196 PolarHBondContact O-N 3.21Å; Y193-L196 HydrophobicContact CD2-CD1 3.96Å; Y193-L196 WeakPolarHBondContact O-CB 3.43Å; Y193-L196 PolarHBondContact O-N 3.4Å; L196-E198 PolarHBondContact O-N 3.21Å; L196-V201 HydrophobicContact CB-CG2 3.48Å; L196-V201 VanDerWaalsContact CB-CG2 3.48Å; L196-V201 HydrophobicContact CD1-CG2 4.14Å; L196-V201 HydrophobicContact CG-CG2 4.47Å; L196-Y225 PolarHBondContact O-OH 3.37Å
197	P	94.3	Very high	95.3	Very high	64 Å²	64	50.5 Å²	50.5	42%	0.416	24%	0.244	S	C	.	.			trans	-56.4	131.6	176.1	-23.6	33.7	0	0	0	112	E199 D200 V201	P197-E199 VanDerWaalsContact C-N 3.28Å; P197-E199 PolarHBondContact O-N 2.93Å; P197-D200 HydrophobicContact CB-CB 4.3Å; P197-D200 PolarHBondContact O-N 2.79Å; P197-V201 PolarHBondContact O-N 3.19Å
198	E	95.3	Very high	95.3	Very high	85 Å²	85	53.8 Å²	53.8	40%	0.397	26%	0.262	S	S	.	.	H	α-helix	trans	-54.6	-42.1	-175.6	-173	-172.1	139.2	0	0	112.8	L196 D200 F202 Y225 R244 M245	L196-E198 PolarHBondContact O-N 3.21Å; E198-D200 VanDerWaalsContact C-N 3.33Å; E198-D200 PolarHBondContact O-N 3.26Å; E198-F202 WeakPolarHBondContact O-CB 3.33Å; E198-F202 PolarHBondContact O-N 3.37Å; E198-Y225 WeakPolarHBondContact CA-OH 3.46Å; E198-Y225 HydrophobicContact CB-CE1 4.41Å; E198-Y225 HydrophobicContact CG-CE1 4.16Å; E198-Y225 PolarHBondContact N-OH 2.68Å; E198-R244 WeakPolarHBondContact OE1-CD 3.31Å; E198-R244 IonicContact OE1-CZ 2.78Å; E198-R244 IonicContact OE1-NE 3.13Å; E198-R244 IonicContact OE1-NH1 2.74Å; E198-R244 PolarHBondContact OE1-NH1 3.35Å; E198-M245 HydrophobicContact CG-CE 3.51Å
199	E	95.4	Very high	95.3	Very high	97 Å²	97	55.7 Å²	55.7	45%	0.453	28%	0.278	S	S	.	.	H	α-helix	trans	-63.3	-38.2	178.2	-68.1	-62.2	151.9	0	0	112.8	P197 R203 R244	P197-E199 VanDerWaalsContact C-N 3.28Å; P197-E199 PolarHBondContact O-N 2.93Å; E199-R203 VanDerWaalsContact O-CB 3.3Å; E199-R203 WeakPolarHBondContact O-CB 3.36Å; E199-R203 PolarHBondContact O-N 3.04Å; E199-R244 IonicContact OE1-CZ 2.9Å; E199-R244 IonicContact OE1-NH1 3.75Å; E199-R244 PolarHBondContact OE1-NH1 2.91Å; E199-R244 IonicContact OE1-NH2 2.73Å; E199-R244 PolarHBondContact OE1-NH2 2.96Å; E199-R244 IonicContact OE2-CZ 2.65Å; E199-R244 IonicContact OE2-NH1 3.68Å; E199-R244 IonicContact OE2-NH2 2.87Å; E199-R244 PolarHBondContact OE2-NH2 3.03Å
200	D	93.7	Very high	95.3	Very high	39 Å²	39	50.5 Å²	50.5	21%	0.209	26%	0.259	C	S	.	.	H	α-helix	trans	-74	-42.6	-178	-68.5	-32.8	0	0	0	110.3	P197 E198 F202 R203 M204	P197-D200 HydrophobicContact CB-CB 4.3Å; P197-D200 PolarHBondContact O-N 2.79Å; E198-D200 VanDerWaalsContact C-N 3.33Å; E198-D200 PolarHBondContact O-N 3.26Å; D200-F202 PolarHBondContact O-N 3.3Å; D200-R203 PolarHBondContact O-N 3.03Å; D200-R203 IonicContact OD1-NH1 2.86Å; D200-M204 HydrophobicContact CB-CE 4.21Å; D200-M204 WeakPolarHBondContact O-CB 3.36Å; D200-M204 WeakPolarHBondContact O-CG 3.47Å; D200-M204 PolarHBondContact O-N 2.57Å
201	V	96.8	Very high	95.2	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-61.3	-46.5	174.1	179.5	0	0	0	0	110.8	Y193 L196 P197 R203 M204 L205 Y225 M245	Y193-V201 HydrophobicContact CE2-CG1 3.68Å; Y193-V201 HydrophobicContact CE2-CG2 4.27Å; Y193-V201 VanDerWaalsContact OH-CG1 3.24Å; Y193-V201 WeakPolarHBondContact OH-CG1 3.47Å; L196-V201 HydrophobicContact CB-CG2 3.48Å; L196-V201 VanDerWaalsContact CB-CG2 3.48Å; L196-V201 HydrophobicContact CD1-CG2 4.14Å; L196-V201 HydrophobicContact CG-CG2 4.47Å; P197-V201 PolarHBondContact O-N 3.19Å; V201-R203 VanDerWaalsContact C-N 3.3Å; V201-R203 PolarHBondContact O-N 2.92Å; V201-M204 PolarHBondContact O-N 3.16Å; V201-L205 HydrophobicContact CG1-CD1 4.02Å; V201-L205 HydrophobicContact CG1-CG 4.2Å; V201-L205 WeakPolarHBondContact O-CG 3.31Å; V201-L205 PolarHBondContact O-N 3.02Å; V201-Y225 HydrophobicContact CB-CD2 4.3Å; V201-Y225 HydrophobicContact CB-CE2 4.14Å; V201-Y225 HydrophobicContact CG1-CD2 3.92Å; V201-Y225 HydrophobicContact CG1-CE2 4.28Å; V201-Y225 HydrophobicContact CG1-CG 4.37Å; V201-Y225 HydrophobicContact CG2-CD2 4.06Å; V201-Y225 HydrophobicContact CG2-CE2 3.68Å; V201-M245 HydrophobicContact CB-SD 4.1Å; V201-M245 HydrophobicContact CG1-SD 3.71Å
202	F	97.5	Very high	95.1	Very high	52 Å²	52	49.7 Å²	49.7	23%	0.228	25%	0.25	C	S	.	.	H	α-helix	trans	-58.3	-44.1	176.8	-178.8	-103.7	0	0	0	111.9	E198 D200 L205 S206 R244 M245 D247 A248	E198-F202 WeakPolarHBondContact O-CB 3.33Å; E198-F202 PolarHBondContact O-N 3.37Å; D200-F202 PolarHBondContact O-N 3.3Å; F202-L205 PolarHBondContact O-N 2.78Å; F202-S206 VanDerWaalsContact O-CB 3.26Å; F202-S206 WeakPolarHBondContact O-CB 3.29Å; F202-S206 PolarHBondContact O-N 3Å; F202-S206 PolarHBondContact O-OG 3.25Å; F202-R244 HydrophobicContact CD2-CG 4.28Å; F202-M245 HydrophobicContact CB-CE 3.79Å; F202-M245 HydrophobicContact CB-SD 4.03Å; F202-M245 HydrophobicContact CD2-CE 4.31Å; F202-D247 HydrophobicContact CE2-CB 3.98Å; F202-D247 HydrophobicContact CZ-CB 4.49Å; F202-A248 HydrophobicContact CD2-CB 4.15Å; F202-A248 HydrophobicContact CE2-CB 3.96Å
203	R	96.1	Very high	94.9	Very high	160 Å²	160	51.8 Å²	51.8	60%	0.604	27%	0.27	S	S	*	.	H	α-helix	trans	-63.8	-41	177.3	-170.9	-175.8	-59.1	159.3	8.1	111.8	E199 D200 V201 S206 S207	E199-R203 VanDerWaalsContact O-CB 3.3Å; E199-R203 WeakPolarHBondContact O-CB 3.36Å; E199-R203 PolarHBondContact O-N 3.04Å; D200-R203 PolarHBondContact O-N 3.03Å; D200-R203 IonicContact OD1-NH1 2.86Å; V201-R203 VanDerWaalsContact C-N 3.3Å; V201-R203 PolarHBondContact O-N 2.92Å; R203-S206 PolarHBondContact O-N 3.35Å; R203-S207 PolarHBondContact O-N 2.97Å
204	M	95.6	Very high	94.8	Very high	11 Å²	11	54.4 Å²	54.4	5%	0.054	29%	0.288	C	S	.	.	H	α-helix	trans	-64.2	-49.8	176.8	-70.6	165.1	-172.4	0	0	111.4	H177 I180 L181 D200 V201 S206 S207	H177-M204 HydrophobicContact CB-CE 4.45Å; H177-M204 WeakPolarHBondContact CD2-CE 3.35Å; I180-M204 HydrophobicContact CB-CE 4.48Å; I180-M204 HydrophobicContact CB-SD 4.16Å; I180-M204 HydrophobicContact CD1-CE 3.59Å; I180-M204 HydrophobicContact CD1-SD 4.07Å; I180-M204 HydrophobicContact CG2-CE 4.34Å; I180-M204 HydrophobicContact CG2-CG 4.49Å; I180-M204 HydrophobicContact CG2-SD 3.44Å; I180-M204 WeakPolarHBondContact CG2-SD 3.46Å; L181-M204 HydrophobicContact CD2-CB 3.97Å; L181-M204 HydrophobicContact CD2-CG 4.3Å; L181-M204 WeakPolarHBondContact CD2-O 3.29Å; D200-M204 HydrophobicContact CB-CE 4.21Å; D200-M204 WeakPolarHBondContact O-CB 3.36Å; D200-M204 WeakPolarHBondContact O-CG 3.47Å; D200-M204 PolarHBondContact O-N 2.57Å; V201-M204 PolarHBondContact O-N 3.16Å; M204-S206 PolarHBondContact O-N 3.39Å; M204-S207 WeakPolarHBondContact O-CB 3.28Å; M204-S207 PolarHBondContact O-N 2.93Å; M204-S207 VanDerWaalsContact O-N 3.11Å
205	L	96.8	Very high	94.8	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-64	-27.7	177.5	-67.3	-179.5	0	0	0	112.4	I184 V201 F202 L210 V218 A221 A222 M245 A248 R299	I184-L205 HydrophobicContact CD1-CD2 4.3Å; I184-L205 HydrophobicContact CG1-CD2 4.23Å; V201-L205 HydrophobicContact CG1-CD1 4.02Å; V201-L205 HydrophobicContact CG1-CG 4.2Å; V201-L205 WeakPolarHBondContact O-CG 3.31Å; V201-L205 PolarHBondContact O-N 3.02Å; F202-L205 PolarHBondContact O-N 2.78Å; L205-L210 HydrophobicContact CD2-CD2 4.44Å; L205-V218 HydrophobicContact CB-CG1 4.47Å; L205-V218 HydrophobicContact CD2-CG1 4.19Å; L205-A221 HydrophobicContact CD2-CB 3.99Å; L205-A222 HydrophobicContact CD1-CB 4.1Å; L205-M245 HydrophobicContact CD1-CB 3.94Å; L205-M245 HydrophobicContact CD1-CG 4.28Å; L205-M245 HydrophobicContact CD1-SD 4.1Å; L205-A248 HydrophobicContact CB-CB 3.66Å; L205-R299 PolarHBondContact O-NH1 3.29Å; L205-R299 PolarHBondContact O-NH2 3.02Å
206	S	96.1	Very high	94.8	Very high	42 Å²	42	48.1 Å²	48.1	29%	0.294	26%	0.263	S	S	.	.	H	α-helix	trans	-80	-16.9	177	-61.4	0	0	0	0	113.5	F202 R203 M204 A248 R250 R299	F202-S206 VanDerWaalsContact O-CB 3.26Å; F202-S206 WeakPolarHBondContact O-CB 3.29Å; F202-S206 PolarHBondContact O-N 3Å; F202-S206 PolarHBondContact O-OG 3.25Å; R203-S206 PolarHBondContact O-N 3.35Å; M204-S206 PolarHBondContact O-N 3.39Å; S206-A248 WeakPolarHBondContact OG-CB 3.38Å; S206-R250 PolarHBondContact O-NH2 3.43Å; S206-R299 PolarHBondContact O-NH1 3.08Å
207	S	95.9	Very high	94.8	Very high	34 Å²	34	49.6 Å²	49.6	24%	0.238	27%	0.27	C	S	.	.			trans	-66.6	143.3	-173.3	-173.8	0	0	0	0	113.3	R203 M204 A209 L210	R203-S207 PolarHBondContact O-N 2.97Å; M204-S207 WeakPolarHBondContact O-CB 3.28Å; M204-S207 PolarHBondContact O-N 2.93Å; M204-S207 VanDerWaalsContact O-N 3.11Å; S207-A209 VanDerWaalsContact C-N 3.27Å; S207-A209 PolarHBondContact OG-N 2.85Å; S207-A209 VanDerWaalsContact OG-N 3.12Å; S207-L210 WeakPolarHBondContact O-CB 3.47Å
208	D	95.3	Very high	94.9	Very high	69 Å²	69	46.6 Å²	46.6	37%	0.369	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-14	169	-73.1	-43.2	0	0	0	113.2	L210 R250 R299 S300 T301	D208-L210 VanDerWaalsContact C-N 3.33Å; D208-R250 IonicContact OD1-CZ 3.73Å; D208-R250 IonicContact OD1-NH1 2.6Å; D208-R250 PolarHBondContact OD1-NH1 3.06Å; D208-R250 IonicContact OD1-NH2 2.8Å; D208-R250 PolarHBondContact OD1-NH2 3.45Å; D208-R299 CarbonylContact O-C 3.59Å; D208-S300 CarbonylContact O-C 3.52Å; D208-S300 WeakPolarHBondContact O-CA 3.32Å; D208-S300 PolarHBondContact O-N 3.2Å; D208-T301 HydrophobicContact CB-CG2 4.28Å
209	A	94.9	Very high	95	Very high	44 Å²	44	43.6 Å²	43.6	36%	0.364	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-1	176.6	0	0	0	0	0	113.2	L181 S207 Q211 T301	L181-A209 HydrophobicContact CD1-CB 4.07Å; S207-A209 VanDerWaalsContact C-N 3.27Å; S207-A209 PolarHBondContact OG-N 2.85Å; S207-A209 VanDerWaalsContact OG-N 3.12Å; A209-Q211 PolarHBondContact O-N 3.47Å; A209-T301 HydrophobicContact CB-CG2 4.38Å
210	L	95.1	Very high	95	Very high	4 Å²	4	42 Å²	42	2%	0.021	23%	0.228	C	C	.	.			trans	-63.4	124	176.6	-170.7	70.2	0	0	0	110.3	L181 I184 L205 S207 D208 V212 V218	L181-L210 HydrophobicContact CD2-CB 4.24Å; L181-L210 HydrophobicContact CD2-CD1 3.63Å; I184-L210 HydrophobicContact CB-CD1 3.94Å; I184-L210 HydrophobicContact CG1-CD1 4.11Å; I184-L210 HydrophobicContact CG2-CD1 3.77Å; I184-L210 HydrophobicContact CG2-CG 4.25Å; L205-L210 HydrophobicContact CD2-CD2 4.44Å; S207-L210 WeakPolarHBondContact O-CB 3.47Å; D208-L210 VanDerWaalsContact C-N 3.33Å; L210-V212 HydrophobicContact CD2-CG1 4.12Å; L210-V212 HydrophobicContact CG-CG1 4.12Å; L210-V212 PolarHBondContact O-N 3.39Å; L210-V218 HydrophobicContact CD2-CG1 4.28Å; L210-V218 HydrophobicContact CD2-CG2 3.79Å
211	Q	92.1	Very high	95.1	Very high	105 Å²	105	40.3 Å²	40.3	49%	0.491	22%	0.219	S	C	.	.			trans	-92.1	100.6	-179.7	-60	-166.7	-6.3	0	0	110.1	L181 R182 A209	L181-Q211 PolarHBondContact O-N 2.97Å; R182-Q211 HydrophobicContact CG-CG 4.33Å; A209-Q211 PolarHBondContact O-N 3.47Å
212	V	91.9	Very high	95.2	Very high	22 Å²	22	40.3 Å²	40.3	13%	0.133	22%	0.219	C	C	.	.			trans	-134.6	150.7	176.4	-72.7	0	0	0	0	109.9	I184 L210 E217 V218	I184-V212 HydrophobicContact CG2-CG1 3.74Å; L210-V212 HydrophobicContact CD2-CG1 4.12Å; L210-V212 HydrophobicContact CG-CG1 4.12Å; L210-V212 PolarHBondContact O-N 3.39Å; V212-E217 VanDerWaalsContact CA-OE2 3.31Å; V212-E217 WeakPolarHBondContact CA-OE2 3.43Å; V212-E217 HydrophobicContact CB-CB 4.22Å; V212-E217 WeakPolarHBondContact CB-OE2 3.49Å; V212-E217 HydrophobicContact CG1-CB 4.04Å; V212-V218 HydrophobicContact CB-CG2 4.33Å; V212-V218 HydrophobicContact CG1-CG2 4.01Å; V212-V218 HydrophobicContact CG2-CG2 3.79Å
213	A	90	Very high	95.1	Very high	67 Å²	67	38 Å²	38	55%	0.554	21%	0.21	S	C	*	.	S	Bend	trans	-77.2	-27.3	174.2	0	0	0	0	0	111.9	E217 A602	A213-E217 PolarHBondContact N-OE2 3.15Å; A213-A602 WeakPolarHBondContact O-CB 3.26Å
214	S	93.1	Very high	95.1	Very high	55 Å²	55	30.5 Å²	30.5	39%	0.385	18%	0.181	S	C	.	.	S	Bend	trans	-156.2	161.8	179.3	70.5	0	0	0	0	112.3	N216 E217	S214-N216 PolarHBondContact O-N 2.89Å; S214-N216 WeakPolarHBondContact OG-CB 3.37Å; S214-N216 PolarHBondContact OG-N 3.14Å; S214-E217 PolarHBondContact O-N 2.74Å; S214-E217 VanDerWaalsContact O-N 3.16Å
215	E	95.4	Very high	95.2	Very high	11 Å²	11	31.6 Å²	31.6	5%	0.051	19%	0.185	C	C	.	.	H	α-helix	trans	-65.3	-16.1	170.9	-77.4	-57.1	136.5	0	0	113.6	E217 V218 Y219 R250 L253 I254 R299	E215-E217 VanDerWaalsContact C-N 3.27Å; E215-E217 PolarHBondContact O-N 3.09Å; E215-V218 PolarHBondContact O-N 3.29Å; E215-Y219 PolarHBondContact O-N 3.05Å; E215-R250 HydrophobicContact CG-CB 3.89Å; E215-R250 WeakPolarHBondContact OE2-CB 3.42Å; E215-R250 PolarHBondContact OE2-N 2.61Å; E215-L253 HydrophobicContact CB-CB 4.47Å; E215-L253 HydrophobicContact CG-CB 3.7Å; E215-L253 HydrophobicContact CG-CD1 4.27Å; E215-I254 HydrophobicContact CB-CD1 4.29Å; E215-I254 HydrophobicContact CB-CG1 3.51Å; E215-R299 VanDerWaalsContact CD-NE 3.33Å; E215-R299 VanDerWaalsContact OE1-CD 3.26Å; E215-R299 WeakPolarHBondContact OE1-CD 3.3Å; E215-R299 WeakPolarHBondContact OE1-CG 3.46Å; E215-R299 IonicContact OE1-CZ 2.69Å; E215-R299 IonicContact OE1-NE 3.6Å; E215-R299 PolarHBondContact OE1-NE 3.08Å; E215-R299 IonicContact OE1-NH2 2.59Å; E215-R299 IonicContact OE2-CZ 3.71Å; E215-R299 IonicContact OE2-NE 2.65Å; E215-R299 PolarHBondContact OE2-NE 3.08Å; E215-R299 IonicContact OE2-NH2 3.94Å; E215-R299 PolarHBondContact OE2-NH2 3.37Å
216	N	94.8	Very high	95	Very high	46 Å²	46	34.6 Å²	34.6	25%	0.246	20%	0.199	C	C	.	.	H	α-helix	trans	-64.6	-35.4	173.3	-173.4	79.4	0	0	0	111.2	S214 V218 Y219 E220	S214-N216 PolarHBondContact O-N 2.89Å; S214-N216 WeakPolarHBondContact OG-CB 3.37Å; S214-N216 PolarHBondContact OG-N 3.14Å; N216-V218 VanDerWaalsContact C-N 3.29Å; N216-V218 PolarHBondContact O-N 3.29Å; N216-Y219 WeakPolarHBondContact O-CB 3.44Å; N216-Y219 PolarHBondContact O-N 2.95Å; N216-E220 PolarHBondContact ND2-OE1 2.87Å; N216-E220 WeakPolarHBondContact O-CG 3.5Å; N216-E220 PolarHBondContact O-N 3.42Å
217	E	94.8	Very high	94.9	Very high	34 Å²	34	34.2 Å²	34.2	16%	0.159	19%	0.191	C	C	.	.	H	α-helix	trans	-66.6	-33.8	175.1	-63.9	-179.9	167.7	0	0	111.7	Q185 V212 A213 S214 E215 E220 A221	Q185-E217 PolarHBondContact NE2-OE1 3.18Å; V212-E217 VanDerWaalsContact CA-OE2 3.31Å; V212-E217 WeakPolarHBondContact CA-OE2 3.43Å; V212-E217 HydrophobicContact CB-CB 4.22Å; V212-E217 WeakPolarHBondContact CB-OE2 3.49Å; V212-E217 HydrophobicContact CG1-CB 4.04Å; A213-E217 PolarHBondContact N-OE2 3.15Å; S214-E217 PolarHBondContact O-N 2.74Å; S214-E217 VanDerWaalsContact O-N 3.16Å; E215-E217 VanDerWaalsContact C-N 3.27Å; E215-E217 PolarHBondContact O-N 3.09Å; E217-E220 PolarHBondContact O-N 3.05Å; E217-A221 VanDerWaalsContact O-CB 3.29Å; E217-A221 WeakPolarHBondContact O-CB 3.44Å; E217-A221 PolarHBondContact O-N 2.68Å
218	V	96.8	Very high	94.8	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.006	19%	0.192	C	C	.	.	H	α-helix	trans	-69.3	-41	174.5	-170.2	0	0	0	0	110.6	L205 L210 V212 E215 N216 A221 A222 V249	L205-V218 HydrophobicContact CB-CG1 4.47Å; L205-V218 HydrophobicContact CD2-CG1 4.19Å; L210-V218 HydrophobicContact CD2-CG1 4.28Å; L210-V218 HydrophobicContact CD2-CG2 3.79Å; V212-V218 HydrophobicContact CB-CG2 4.33Å; V212-V218 HydrophobicContact CG1-CG2 4.01Å; V212-V218 HydrophobicContact CG2-CG2 3.79Å; E215-V218 PolarHBondContact O-N 3.29Å; N216-V218 VanDerWaalsContact C-N 3.29Å; N216-V218 PolarHBondContact O-N 3.29Å; V218-A221 PolarHBondContact O-N 2.79Å; V218-A222 VanDerWaalsContact O-CB 3.3Å; V218-A222 WeakPolarHBondContact O-CB 3.47Å; V218-A222 PolarHBondContact O-N 3.35Å; V218-V249 HydrophobicContact CG1-CG2 4.29Å
219	Y	96.4	Very high	94.7	Very high	23 Å²	23	32.4 Å²	32.4	9%	0.09	18%	0.183	C	C	.	.	H	α-helix	trans	-59.5	-46.5	173.5	175.2	-107.5	0	0	0	111.6	E215 N216 A222 L223 L246 V249 F251 L262	E215-Y219 PolarHBondContact O-N 3.05Å; N216-Y219 WeakPolarHBondContact O-CB 3.44Å; N216-Y219 PolarHBondContact O-N 2.95Å; Y219-A222 PolarHBondContact O-N 2.85Å; Y219-L223 HydrophobicContact CD1-CD1 4.26Å; Y219-L223 HydrophobicContact CE1-CD1 3.64Å; Y219-L223 HydrophobicContact CE1-CG 4.49Å; Y219-L223 HydrophobicContact CE2-CD1 4.29Å; Y219-L223 HydrophobicContact CE2-CG 4.41Å; Y219-L223 WeakPolarHBondContact O-CG 3.1Å; Y219-L223 PolarHBondContact O-N 2.97Å; Y219-L246 HydrophobicContact CD2-CD2 3.74Å; Y219-L246 HydrophobicContact CE2-CD2 3.75Å; Y219-V249 HydrophobicContact CD2-CG1 4.5Å; Y219-F251 AromaticContact CD2-CE1 3.85Å; Y219-F251 HydrophobicContact CD2-CE1 3.85Å; Y219-F251 HydrophobicContact CD2-CZ 4.1Å; Y219-F251 HydrophobicContact CE2-CE1 4.1Å; Y219-F251 HydrophobicContact CE2-CZ 4.34Å; Y219-L262 HydrophobicContact CE2-CD2 4.24Å
220	E	95.6	Very high	94.5	Very high	64 Å²	64	37.6 Å²	37.6	30%	0.299	20%	0.2	S	C	.	.	H	α-helix	trans	-63.1	-46	175.2	-73.4	176.3	-164.1	0	0	112	N216 E217 A222 L223 H224	N216-E220 PolarHBondContact ND2-OE1 2.87Å; N216-E220 WeakPolarHBondContact O-CG 3.5Å; N216-E220 PolarHBondContact O-N 3.42Å; E217-E220 PolarHBondContact O-N 3.05Å; E220-A222 VanDerWaalsContact C-N 3.28Å; E220-A222 PolarHBondContact O-N 3.36Å; E220-L223 WeakPolarHBondContact O-CB 3.3Å; E220-L223 PolarHBondContact O-N 3.41Å; E220-L223 VanDerWaalsContact O-N 3.08Å; E220-H224 PolarHBondContact O-N 2.84Å; E220-H224 PolarHBondContact O-ND1 2.66Å
221	A	97.1	Very high	94.4	Very high	2 Å²	2	41.2 Å²	41.2	2%	0.017	22%	0.217	C	C	.	.	H	α-helix	trans	-62.3	-35	177	0	0	0	0	0	112.6	I184 Y193 L205 E217 V218 Y225	I184-A221 HydrophobicContact CG1-CB 4.13Å; Y193-A221 VanDerWaalsContact CE1-O 3.23Å; Y193-A221 WeakPolarHBondContact CE1-O 3.44Å; Y193-A221 PolarHBondContact OH-O 3.47Å; L205-A221 HydrophobicContact CD2-CB 3.99Å; E217-A221 VanDerWaalsContact O-CB 3.29Å; E217-A221 WeakPolarHBondContact O-CB 3.44Å; E217-A221 PolarHBondContact O-N 2.68Å; V218-A221 PolarHBondContact O-N 2.79Å; A221-Y225 PolarHBondContact O-N 3.26Å
222	A	97.1	Very high	94.4	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-66.1	-38.6	173.2	0	0	0	0	0	111.8	L205 V218 Y219 E220 H226 M245 L246 V249	L205-A222 HydrophobicContact CD1-CB 4.1Å; V218-A222 VanDerWaalsContact O-CB 3.3Å; V218-A222 WeakPolarHBondContact O-CB 3.47Å; V218-A222 PolarHBondContact O-N 3.35Å; Y219-A222 PolarHBondContact O-N 2.85Å; E220-A222 VanDerWaalsContact C-N 3.28Å; E220-A222 PolarHBondContact O-N 3.36Å; A222-H226 PolarHBondContact O-CD2 3.11Å; A222-M245 HydrophobicContact CB-CB 3.64Å; A222-M245 WeakPolarHBondContact CB-O 3.1Å; A222-L246 HydrophobicContact CB-CD2 3.9Å; A222-V249 HydrophobicContact CB-CG2 3.96Å
223	L	96.1	Very high	94.3	Very high	5 Å²	5	41.9 Å²	41.9	3%	0.026	22%	0.22	C	C	.	.	H	α-helix	trans	-69.8	-42.1	174.9	-68	-180	0	0	0	112.4	Y219 E220 Y225 H226 Y227 V232 L239 L243 L246	Y219-L223 HydrophobicContact CD1-CD1 4.26Å; Y219-L223 HydrophobicContact CE1-CD1 3.64Å; Y219-L223 HydrophobicContact CE1-CG 4.49Å; Y219-L223 HydrophobicContact CE2-CD1 4.29Å; Y219-L223 HydrophobicContact CE2-CG 4.41Å; Y219-L223 WeakPolarHBondContact O-CG 3.1Å; Y219-L223 PolarHBondContact O-N 2.97Å; E220-L223 WeakPolarHBondContact O-CB 3.3Å; E220-L223 PolarHBondContact O-N 3.41Å; E220-L223 VanDerWaalsContact O-N 3.08Å; L223-Y225 PolarHBondContact O-N 3.17Å; L223-Y225 VanDerWaalsContact O-N 3.14Å; L223-H226 PolarHBondContact O-N 3.3Å; L223-Y227 HydrophobicContact CD2-CD2 4.44Å; L223-Y227 HydrophobicContact CD2-CE2 4.44Å; L223-Y227 PolarHBondContact O-N 3.04Å; L223-V232 HydrophobicContact CB-CG1 4.28Å; L223-V232 HydrophobicContact CB-CG2 3.84Å; L223-V232 HydrophobicContact CD1-CG1 4.14Å; L223-L239 HydrophobicContact CD2-CD2 3.58Å; L223-L243 HydrophobicContact CD2-CD1 4.41Å; L223-L246 HydrophobicContact CD2-CD2 4.07Å; L223-L246 HydrophobicContact CG-CD2 4.46Å
224	H	96.6	Very high	94.3	Very high	2 Å²	2	42.5 Å²	42.5	1%	0.009	22%	0.216	C	C	.	.	H	α-helix	trans	-63	-19.8	-179.7	-67	147.4	0	0	0	113.9	S188 R194 E220 H226 Y227	S188-H224 WeakPolarHBondContact O-CB 3.15Å; S188-H224 PolarHBondContact OG-ND1 2.75Å; R194-H224 VanDerWaalsContact CG-O 3.23Å; R194-H224 WeakPolarHBondContact CG-O 3.44Å; R194-H224 PolarHBondContact NH1-O 2.69Å; R194-H224 VanDerWaalsContact NH1-O 3.17Å; E220-H224 PolarHBondContact O-N 2.84Å; E220-H224 PolarHBondContact O-ND1 2.66Å; H224-H226 VanDerWaalsContact C-N 3.3Å; H224-Y227 CarbonylContact C-O 3.57Å; H224-Y227 WeakPolarHBondContact CA-O 3.48Å
225	Y	96.6	Very high	93.9	Very high	34 Å²	34	43.6 Å²	43.6	13%	0.133	22%	0.218	C	C	.	.	H	α-helix	trans	-67.7	-33.2	171.6	-168.8	-104.9	0	0	0	112	Y193 L196 E198 V201 A221 L223 M245	Y193-Y225 HydrophobicContact CD1-CD2 4.26Å; Y193-Y225 AromaticContact CE1-CD2 3.99Å; Y193-Y225 HydrophobicContact CE1-CD2 3.99Å; Y193-Y225 HydrophobicContact CE1-CG 4.38Å; L196-Y225 PolarHBondContact O-OH 3.37Å; E198-Y225 WeakPolarHBondContact CA-OH 3.46Å; E198-Y225 HydrophobicContact CB-CE1 4.41Å; E198-Y225 HydrophobicContact CG-CE1 4.16Å; E198-Y225 PolarHBondContact N-OH 2.68Å; V201-Y225 HydrophobicContact CB-CD2 4.3Å; V201-Y225 HydrophobicContact CB-CE2 4.14Å; V201-Y225 HydrophobicContact CG1-CD2 3.92Å; V201-Y225 HydrophobicContact CG1-CE2 4.28Å; V201-Y225 HydrophobicContact CG1-CG 4.37Å; V201-Y225 HydrophobicContact CG2-CD2 4.06Å; V201-Y225 HydrophobicContact CG2-CE2 3.68Å; A221-Y225 PolarHBondContact O-N 3.26Å; L223-Y225 PolarHBondContact O-N 3.17Å; L223-Y225 VanDerWaalsContact O-N 3.14Å; Y225-M245 HydrophobicContact CD1-CE 4.49Å; Y225-M245 HydrophobicContact CD1-CG 3.58Å; Y225-M245 HydrophobicContact CD1-SD 4.26Å; Y225-M245 HydrophobicContact CE1-CE 4.43Å; Y225-M245 HydrophobicContact CE1-CG 4.4Å; Y225-M245 HydrophobicContact CG-CG 3.87Å
226	H	93.9	Very high	93.4	Very high	63 Å²	63	50.6 Å²	50.6	29%	0.292	25%	0.248	S	C	.	.	H	α-helix	trans	-101.2	-22	-176.3	-63	-64	0	0	0	113.7	A222 L223 H224 L243	A222-H226 PolarHBondContact O-CD2 3.11Å; L223-H226 PolarHBondContact O-N 3.3Å; H224-H226 VanDerWaalsContact C-N 3.3Å; H226-L243 HydrophobicContact CB-CD2 3.78Å
227	Y	94.5	Very high	93.1	Very high	34 Å²	34	49.3 Å²	49.3	13%	0.133	24%	0.242	C	C	.	.	S	Bend	trans	-133.5	156.7	-174.1	-58.7	-74	0	0	0	112	R194 L223 H224 V237 Y238 L243	R194-Y227 PolarHBondContact NH1-O 3.25Å; L223-Y227 HydrophobicContact CD2-CD2 4.44Å; L223-Y227 HydrophobicContact CD2-CE2 4.44Å; L223-Y227 PolarHBondContact O-N 3.04Å; H224-Y227 CarbonylContact C-O 3.57Å; H224-Y227 WeakPolarHBondContact CA-O 3.48Å; Y227-V237 HydrophobicContact CD1-CG1 4.27Å; Y227-V237 HydrophobicContact CD2-CB 4.04Å; Y227-V237 HydrophobicContact CD2-CG1 3.7Å; Y227-V237 HydrophobicContact CE2-CB 4.04Å; Y227-V237 HydrophobicContact CE2-CG1 4.22Å; Y227-V237 HydrophobicContact CG-CB 4.34Å; Y227-V237 HydrophobicContact CG-CG1 3.74Å; Y227-Y238 PolarHBondContact OH-N 3.15Å; Y227-Y238 PolarHBondContact OH-O 3.08Å; Y227-L243 HydrophobicContact CE2-CD1 4.12Å; Y227-L243 HydrophobicContact CE2-CD2 3.95Å
228	S	92.8	Very high	92.7	Very high	37 Å²	37	54.1 Å²	54.1	26%	0.259	26%	0.26	S	S	.	.			trans	-67.5	155.4	171.8	65.5	0	0	0	0	111.6	E230 E231 V232	S228-E230 PolarHBondContact O-N 2.95Å; S228-E231 WeakPolarHBondContact CB-OE2 3.33Å; S228-E231 PolarHBondContact N-OE2 3.31Å; S228-E231 PolarHBondContact O-N 3.45Å; S228-E231 VanDerWaalsContact O-N 3.15Å; S228-E231 VanDerWaalsContact OG-CG 3.26Å; S228-E231 WeakPolarHBondContact OG-CG 3.4Å; S228-E231 PolarHBondContact OG-N 2.9Å; S228-E231 PolarHBondContact OG-OE2 3.12Å; S228-V232 PolarHBondContact O-N 3.5Å
229	P	92.8	Very high	92.2	Very high	27 Å²	27	54.8 Å²	54.8	18%	0.175	26%	0.263	C	S	.	.	H	α-helix	trans	-58.6	-37.6	177.6	-22.4	35.2	0	0	0	112	R189 E231 V232 E233	R189-P229 HydrophobicContact CB-CG 4.35Å; R189-P229 WeakPolarHBondContact O-CG 3.38Å; P229-E231 VanDerWaalsContact C-N 3.33Å; P229-E231 PolarHBondContact O-N 2.93Å; P229-V232 PolarHBondContact O-N 3.18Å; P229-E233 WeakPolarHBondContact O-CB 3.21Å; P229-E233 VanDerWaalsContact O-CG 3.31Å; P229-E233 WeakPolarHBondContact O-CG 3.11Å; P229-E233 PolarHBondContact O-N 2.89Å
230	E	92.2	Very high	91.4	Very high	154 Å²	154	57.8 Å²	57.8	72%	0.72	28%	0.278	S	S	*	.	H	α-helix	trans	-61.2	-39.9	177.7	-62.8	-175.7	-179.5	0	0	112.3	S228 T234	S228-E230 PolarHBondContact O-N 2.95Å; E230-T234 VanDerWaalsContact O-CB 3.31Å; E230-T234 WeakPolarHBondContact O-CB 3.24Å; E230-T234 VanDerWaalsContact O-CG2 3.31Å; E230-T234 WeakPolarHBondContact O-CG2 3.29Å; E230-T234 PolarHBondContact O-N 3.33Å; E230-T234 PolarHBondContact O-OG1 3.43Å
231	E	92.4	Very high	90.6	Very high	80 Å²	80	56.4 Å²	56.4	37%	0.374	28%	0.281	S	S	.	.	H	α-helix	trans	-68.5	-39.8	177.6	-72.7	167.3	125.6	0	0	112	S228 P229 D235 K236 V237	S228-E231 WeakPolarHBondContact CB-OE2 3.33Å; S228-E231 PolarHBondContact N-OE2 3.31Å; S228-E231 PolarHBondContact O-N 3.45Å; S228-E231 VanDerWaalsContact O-N 3.15Å; S228-E231 VanDerWaalsContact OG-CG 3.26Å; S228-E231 WeakPolarHBondContact OG-CG 3.4Å; S228-E231 PolarHBondContact OG-N 2.9Å; S228-E231 PolarHBondContact OG-OE2 3.12Å; P229-E231 VanDerWaalsContact C-N 3.33Å; P229-E231 PolarHBondContact O-N 2.93Å; E231-D235 PolarHBondContact O-N 3.5Å; E231-D235 VanDerWaalsContact O-N 3.14Å; E231-K236 PolarHBondContact O-N 3.18Å; E231-V237 HydrophobicContact CB-CG1 4.45Å
232	V	91.4	Very high	89.8	Confident	20 Å²	20	63.5 Å²	63.5	12%	0.121	32%	0.319	C	S	.	.	H	α-helix	trans	-68	-47.7	177.7	179.8	0	0	0	0	110.6	L223 S228 P229 T234 D235 V237	L223-V232 HydrophobicContact CB-CG1 4.28Å; L223-V232 HydrophobicContact CB-CG2 3.84Å; L223-V232 HydrophobicContact CD1-CG1 4.14Å; S228-V232 PolarHBondContact O-N 3.5Å; P229-V232 PolarHBondContact O-N 3.18Å; V232-T234 PolarHBondContact O-N 3.38Å; V232-D235 PolarHBondContact O-N 2.94Å; V232-D235 VanDerWaalsContact O-N 3.11Å; V232-V237 HydrophobicContact CB-CG1 4.49Å; V232-V237 HydrophobicContact CG2-CG1 3.95Å
233	E	90.2	Very high	89.6	Confident	121 Å²	121	64.2 Å²	64.2	57%	0.565	32%	0.323	S	S	*	.	H	α-helix	trans	-67.4	-34.7	-179.2	-70.8	179.1	174.6	0	0	112.6	R189 P229 D235	R189-E233 IonicContact CZ-OE1 3.88Å; R189-E233 IonicContact NH1-OE1 3.74Å; R189-E233 PolarHBondContact NH1-OE1 2.98Å; R189-E233 IonicContact NH2-OE1 2.87Å; P229-E233 WeakPolarHBondContact O-CB 3.21Å; P229-E233 VanDerWaalsContact O-CG 3.31Å; P229-E233 WeakPolarHBondContact O-CG 3.11Å; P229-E233 PolarHBondContact O-N 2.89Å; E233-D235 VanDerWaalsContact C-N 3.26Å; E233-D235 PolarHBondContact O-N 3.16Å
234	T	89.1	Confident	89.5	Confident	79 Å²	79	67 Å²	67	49%	0.485	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.6	4	174.2	62.8	0	0	0	0	113.8	E230 V232 K236	E230-T234 VanDerWaalsContact O-CB 3.31Å; E230-T234 WeakPolarHBondContact O-CB 3.24Å; E230-T234 VanDerWaalsContact O-CG2 3.31Å; E230-T234 WeakPolarHBondContact O-CG2 3.29Å; E230-T234 PolarHBondContact O-N 3.33Å; E230-T234 PolarHBondContact O-OG1 3.43Å; V232-T234 PolarHBondContact O-N 3.38Å; T234-K236 PolarHBondContact O-N 2.91Å; T234-K236 WeakPolarHBondContact OG1-CD 3.47Å
235	D	84.7	Confident	89.4	Confident	79 Å²	79	66.9 Å²	66.9	42%	0.422	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.4	29.9	176.3	-161.2	34.5	0	0	0	113.9	E231 V232 E233 V237 R265	E231-D235 PolarHBondContact O-N 3.5Å; E231-D235 VanDerWaalsContact O-N 3.14Å; V232-D235 PolarHBondContact O-N 2.94Å; V232-D235 VanDerWaalsContact O-N 3.11Å; E233-D235 VanDerWaalsContact C-N 3.26Å; E233-D235 PolarHBondContact O-N 3.16Å; D235-V237 VanDerWaalsContact C-N 3.34Å; D235-V237 PolarHBondContact O-N 3.09Å; D235-R265 IonicContact OD1-CZ 2.75Å; D235-R265 IonicContact OD1-NH1 2.8Å; D235-R265 PolarHBondContact OD1-NH1 3.11Å; D235-R265 IonicContact OD1-NH2 3.51Å; D235-R265 PolarHBondContact OD1-NH2 3.47Å; D235-R265 IonicContact OD2-CZ 3.16Å; D235-R265 IonicContact OD2-NE 2.69Å; D235-R265 IonicContact OD2-NH1 3.28Å; D235-R265 PolarHBondContact OD2-NH1 2.87Å; D235-R265 IonicContact OD2-NH2 2.66Å; D235-R265 PolarHBondContact OD2-NH2 3.27Å
236	K	85.4	Confident	89.4	Confident	157 Å²	157	65.7 Å²	65.7	68%	0.683	33%	0.328	S	S	*	.			trans	-95.9	31.9	-178.9	-67.2	-179.4	-174.3	167.4	0	112.9	E231 T234	E231-K236 PolarHBondContact O-N 3.18Å; T234-K236 PolarHBondContact O-N 2.91Å; T234-K236 WeakPolarHBondContact OG1-CD 3.47Å
237	V	88.3	Confident	89.4	Confident	20 Å²	20	67.7 Å²	67.7	12%	0.121	34%	0.341	C	S	.	.			trans	-91.3	144.6	-176.6	-66.3	0	0	0	0	112.8	Y227 E231 V232 D235 L239	Y227-V237 HydrophobicContact CD1-CG1 4.27Å; Y227-V237 HydrophobicContact CD2-CB 4.04Å; Y227-V237 HydrophobicContact CD2-CG1 3.7Å; Y227-V237 HydrophobicContact CE2-CB 4.04Å; Y227-V237 HydrophobicContact CE2-CG1 4.22Å; Y227-V237 HydrophobicContact CG-CB 4.34Å; Y227-V237 HydrophobicContact CG-CG1 3.74Å; E231-V237 HydrophobicContact CB-CG1 4.45Å; V232-V237 HydrophobicContact CB-CG1 4.49Å; V232-V237 HydrophobicContact CG2-CG1 3.95Å; D235-V237 VanDerWaalsContact C-N 3.34Å; D235-V237 PolarHBondContact O-N 3.09Å; V237-L239 HydrophobicContact CB-CD2 4.3Å; V237-L239 HydrophobicContact CG2-CD1 4.3Å; V237-L239 HydrophobicContact CG2-CD2 3.71Å; V237-L239 HydrophobicContact CG2-CG 3.87Å; V237-L239 PolarHBondContact O-N 2.92Å
238	Y	87.2	Confident	89.4	Confident	135 Å²	135	66.2 Å²	66.2	53%	0.529	34%	0.336	S	S	.	.			trans	-95.9	85.8	178.6	-178.1	-107.9	0	0	0	112.4	Y227 Q240 G241	Y227-Y238 PolarHBondContact OH-N 3.15Å; Y227-Y238 PolarHBondContact OH-O 3.08Å; Y238-Q240 HydrophobicContact CE1-CB 3.87Å; Y238-Q240 HydrophobicContact CE2-CB 3.87Å; Y238-Q240 HydrophobicContact CE2-CG 4.32Å; Y238-Q240 VanDerWaalsContact CZ-CB 3.48Å; Y238-Q240 PolarHBondContact O-N 3.32Å; Y238-Q240 WeakPolarHBondContact OH-CB 3.43Å; Y238-Q240 PolarHBondContact OH-OE1 3.12Å; Y238-G241 PolarHBondContact O-N 3.41Å
239	L	85.9	Confident	89.6	Confident	15 Å²	15	64.5 Å²	64.5	8%	0.079	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76	9.1	-172.2	-58.5	177.1	0	0	0	116.2	L223 V237 L243 L262 L266 L271	L223-L239 HydrophobicContact CD2-CD2 3.58Å; V237-L239 HydrophobicContact CB-CD2 4.3Å; V237-L239 HydrophobicContact CG2-CD1 4.3Å; V237-L239 HydrophobicContact CG2-CD2 3.71Å; V237-L239 HydrophobicContact CG2-CG 3.87Å; V237-L239 PolarHBondContact O-N 2.92Å; L239-L243 HydrophobicContact CD2-CD1 4.1Å; L239-L262 HydrophobicContact CD1-CD1 3.83Å; L239-L266 HydrophobicContact CB-CD2 3.64Å; L239-L266 HydrophobicContact CD1-CD2 3.88Å; L239-L266 HydrophobicContact CG-CD2 4.43Å; L239-L271 HydrophobicContact CB-CD2 4.06Å
240	Q	78.6	Confident	89.8	Confident	85 Å²	85	63.9 Å²	63.9	40%	0.397	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.7	-7.3	178.4	-69.8	164.6	15.2	0	0	112.7	Y238 N267	Y238-Q240 HydrophobicContact CE1-CB 3.87Å; Y238-Q240 HydrophobicContact CE2-CB 3.87Å; Y238-Q240 HydrophobicContact CE2-CG 4.32Å; Y238-Q240 VanDerWaalsContact CZ-CB 3.48Å; Y238-Q240 PolarHBondContact O-N 3.32Å; Y238-Q240 WeakPolarHBondContact OH-CB 3.43Å; Y238-Q240 PolarHBondContact OH-OE1 3.12Å; Q240-N267 PolarHBondContact NE2-ND2 3.07Å
241	G	78.8	Confident	90	Very high	35 Å²	35	57.2 Å²	57.2	36%	0.361	29%	0.287	S	S	.	.	S	Bend	trans	-72.3	171.5	175.2	0	0	0	0	0	113.1	Y238 L243	Y238-G241 PolarHBondContact O-N 3.41Å; G241-L243 PolarHBondContact O-N 3.02Å; G241-L243 VanDerWaalsContact O-N 3.13Å
242	N	81.5	Confident	90.2	Very high	151 Å²	151	54.2 Å²	54.2	81%	0.807	27%	0.274	S	S	*	.			trans	-76.7	95.8	169.3	-173.5	13	0	0	0	109.3
243	L	91.9	Very high	90.4	Very high	16 Å²	16	54.5 Å²	54.5	8%	0.084	28%	0.275	C	S	.	.			trans	-107.5	78.2	-177.8	-59.9	175.6	0	0	0	109.1	L223 H226 Y227 L239 G241 M245 L246	L223-L243 HydrophobicContact CD2-CD1 4.41Å; H226-L243 HydrophobicContact CB-CD2 3.78Å; Y227-L243 HydrophobicContact CE2-CD1 4.12Å; Y227-L243 HydrophobicContact CE2-CD2 3.95Å; L239-L243 HydrophobicContact CD2-CD1 4.1Å; G241-L243 PolarHBondContact O-N 3.02Å; G241-L243 VanDerWaalsContact O-N 3.13Å; L243-M245 PolarHBondContact O-N 3.45Å; L243-M245 VanDerWaalsContact O-N 3.08Å; L243-L246 HydrophobicContact CB-CD1 3.72Å; L243-L246 HydrophobicContact CB-CG 3.88Å; L243-L246 HydrophobicContact CD1-CD1 3.72Å; L243-L246 HydrophobicContact CG-CD1 4.37Å; L243-L246 WeakPolarHBondContact O-CB 3.08Å; L243-L246 PolarHBondContact O-N 3.19Å
244	R	93.8	Very high	90.7	Very high	62 Å²	62	49 Å²	49	23%	0.234	25%	0.25	C	C	.	.	G	3₁₀ helix	trans	-52	-35.9	-172.9	-175.5	-172.5	177.3	173.5	-1.6	113.6	E198 E199 F202 L246 D247	E198-R244 WeakPolarHBondContact OE1-CD 3.31Å; E198-R244 IonicContact OE1-CZ 2.78Å; E198-R244 IonicContact OE1-NE 3.13Å; E198-R244 IonicContact OE1-NH1 2.74Å; E198-R244 PolarHBondContact OE1-NH1 3.35Å; E199-R244 IonicContact OE1-CZ 2.9Å; E199-R244 IonicContact OE1-NH1 3.75Å; E199-R244 PolarHBondContact OE1-NH1 2.91Å; E199-R244 IonicContact OE1-NH2 2.73Å; E199-R244 PolarHBondContact OE1-NH2 2.96Å; E199-R244 IonicContact OE2-CZ 2.65Å; E199-R244 IonicContact OE2-NH1 3.68Å; E199-R244 IonicContact OE2-NH2 2.87Å; E199-R244 PolarHBondContact OE2-NH2 3.03Å; F202-R244 HydrophobicContact CD2-CG 4.28Å; R244-L246 PolarHBondContact O-N 3.08Å; R244-L246 VanDerWaalsContact O-N 3.14Å; R244-D247 WeakPolarHBondContact O-CB 3.41Å; R244-D247 PolarHBondContact O-N 2.99Å
245	M	96.1	Very high	90.9	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-61.9	-23	-179.4	-61.4	-53.2	108.8	0	0	113	E198 V201 F202 L205 A222 Y225 L243 D247 A248	E198-M245 HydrophobicContact CG-CE 3.51Å; V201-M245 HydrophobicContact CB-SD 4.1Å; V201-M245 HydrophobicContact CG1-SD 3.71Å; F202-M245 HydrophobicContact CB-CE 3.79Å; F202-M245 HydrophobicContact CB-SD 4.03Å; F202-M245 HydrophobicContact CD2-CE 4.31Å; L205-M245 HydrophobicContact CD1-CB 3.94Å; L205-M245 HydrophobicContact CD1-CG 4.28Å; L205-M245 HydrophobicContact CD1-SD 4.1Å; A222-M245 HydrophobicContact CB-CB 3.64Å; A222-M245 WeakPolarHBondContact CB-O 3.1Å; Y225-M245 HydrophobicContact CD1-CE 4.49Å; Y225-M245 HydrophobicContact CD1-CG 3.58Å; Y225-M245 HydrophobicContact CD1-SD 4.26Å; Y225-M245 HydrophobicContact CE1-CE 4.43Å; Y225-M245 HydrophobicContact CE1-CG 4.4Å; Y225-M245 HydrophobicContact CG-CG 3.87Å; L243-M245 PolarHBondContact O-N 3.45Å; L243-M245 VanDerWaalsContact O-N 3.08Å; M245-D247 VanDerWaalsContact C-N 3.25Å; M245-D247 PolarHBondContact O-N 2.99Å; M245-A248 WeakPolarHBondContact O-CB 3.44Å; M245-A248 PolarHBondContact O-N 3.39Å
246	L	95.4	Very high	91.4	Very high	10 Å²	10	51.9 Å²	51.9	5%	0.052	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-68.7	-22.8	176.2	-64.2	-177.1	0	0	0	113	Y219 A222 L223 L243 R244 A248 V249 L271	Y219-L246 HydrophobicContact CD2-CD2 3.74Å; Y219-L246 HydrophobicContact CE2-CD2 3.75Å; A222-L246 HydrophobicContact CB-CD2 3.9Å; L223-L246 HydrophobicContact CD2-CD2 4.07Å; L223-L246 HydrophobicContact CG-CD2 4.46Å; L243-L246 HydrophobicContact CB-CD1 3.72Å; L243-L246 HydrophobicContact CB-CG 3.88Å; L243-L246 HydrophobicContact CD1-CD1 3.72Å; L243-L246 HydrophobicContact CG-CD1 4.37Å; L243-L246 WeakPolarHBondContact O-CB 3.08Å; L243-L246 PolarHBondContact O-N 3.19Å; R244-L246 PolarHBondContact O-N 3.08Å; R244-L246 VanDerWaalsContact O-N 3.14Å; L246-A248 PolarHBondContact O-N 3.32Å; L246-V249 HydrophobicContact CD2-CG2 4.33Å; L246-V249 WeakPolarHBondContact O-CB 3.47Å; L246-V249 PolarHBondContact O-N 2.95Å; L246-V249 VanDerWaalsContact O-N 3.09Å; L246-L271 HydrophobicContact CD1-CD1 4.02Å; L246-L271 HydrophobicContact CD1-CD2 3.77Å; L246-L271 HydrophobicContact CD1-CG 4.45Å
247	D	94.1	Very high	91.9	Very high	104 Å²	104	51 Å²	51	56%	0.556	25%	0.252	S	S	*	.	G	3₁₀ helix	trans	-68.2	-20.7	176.6	-64.7	-25.8	0	0	0	111.9	F202 R244 M245 V249	F202-D247 HydrophobicContact CE2-CB 3.98Å; F202-D247 HydrophobicContact CZ-CB 4.49Å; R244-D247 WeakPolarHBondContact O-CB 3.41Å; R244-D247 PolarHBondContact O-N 2.99Å; M245-D247 VanDerWaalsContact C-N 3.25Å; M245-D247 PolarHBondContact O-N 2.99Å; D247-V249 VanDerWaalsContact C-N 3.32Å
248	A	95.7	Very high	92.3	Very high	3 Å²	3	51.5 Å²	51.5	3%	0.025	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-76.6	-19.9	174.2	0	0	0	0	0	112.5	F202 L205 S206 M245 L246 R299	F202-A248 HydrophobicContact CD2-CB 4.15Å; F202-A248 HydrophobicContact CE2-CB 3.96Å; L205-A248 HydrophobicContact CB-CB 3.66Å; S206-A248 WeakPolarHBondContact OG-CB 3.38Å; M245-A248 WeakPolarHBondContact O-CB 3.44Å; M245-A248 PolarHBondContact O-N 3.39Å; L246-A248 PolarHBondContact O-N 3.32Å; A248-R299 PolarHBondContact O-NH2 3.43Å
249	V	96.8	Very high	92.7	Very high	2 Å²	2	45.1 Å²	45.1	1%	0.012	23%	0.23	C	C	.	.			trans	-76.2	130.2	-172	-179.3	0	0	0	0	111.2	V218 Y219 A222 L246 D247 F251 I254	V218-V249 HydrophobicContact CG1-CG2 4.29Å; Y219-V249 HydrophobicContact CD2-CG1 4.5Å; A222-V249 HydrophobicContact CB-CG2 3.96Å; L246-V249 HydrophobicContact CD2-CG2 4.33Å; L246-V249 WeakPolarHBondContact O-CB 3.47Å; L246-V249 PolarHBondContact O-N 2.95Å; L246-V249 VanDerWaalsContact O-N 3.09Å; D247-V249 VanDerWaalsContact C-N 3.32Å; V249-F251 HydrophobicContact CB-CD2 4.26Å; V249-F251 HydrophobicContact CB-CE2 3.82Å; V249-F251 HydrophobicContact CB-CZ 3.95Å; V249-F251 HydrophobicContact CG1-CD1 4.14Å; V249-F251 HydrophobicContact CG1-CD2 4.21Å; V249-F251 HydrophobicContact CG1-CE1 3.95Å; V249-F251 HydrophobicContact CG1-CE2 4.03Å; V249-F251 HydrophobicContact CG1-CG 4.25Å; V249-F251 HydrophobicContact CG1-CZ 3.88Å; V249-F251 PolarHBondContact O-N 3.05Å; V249-F251 VanDerWaalsContact O-N 3.11Å; V249-I254 HydrophobicContact CG1-CD1 3.92Å
250	R	96.6	Very high	93.3	Very high	13 Å²	13	49.1 Å²	49.1	5%	0.049	25%	0.249	C	C	.	.			trans	-89.5	73.3	178.9	-60.4	178	-169.6	-178.2	3.7	110.1	S206 D208 E215 S252 L253 L295 Q297 P298 R299	S206-R250 PolarHBondContact O-NH2 3.43Å; D208-R250 IonicContact OD1-CZ 3.73Å; D208-R250 IonicContact OD1-NH1 2.6Å; D208-R250 PolarHBondContact OD1-NH1 3.06Å; D208-R250 IonicContact OD1-NH2 2.8Å; D208-R250 PolarHBondContact OD1-NH2 3.45Å; E215-R250 HydrophobicContact CG-CB 3.89Å; E215-R250 WeakPolarHBondContact OE2-CB 3.42Å; E215-R250 PolarHBondContact OE2-N 2.61Å; R250-S252 PolarHBondContact O-N 3.15Å; R250-L253 HydrophobicContact CB-CD1 4.08Å; R250-L253 HydrophobicContact CB-CG 4.24Å; R250-L253 PolarHBondContact O-N 3.04Å; R250-L295 VanDerWaalsContact CB-O 3.29Å; R250-L295 WeakPolarHBondContact CB-O 3.3Å; R250-L295 HydrophobicContact CG-CD2 4.28Å; R250-Q297 VanDerWaalsContact CD-O 3.3Å; R250-Q297 WeakPolarHBondContact CD-O 3.27Å; R250-Q297 PolarHBondContact NH1-O 3.44Å; R250-P298 VanDerWaalsContact NH1-C 3.31Å; R250-P298 PolarHBondContact NH1-O 2.82Å; R250-R299 VanDerWaalsContact NH1-CG 3.34Å
251	F	97	Very high	94.1	Very high	15 Å²	15	53 Å²	53	7%	0.066	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-51.9	-32.8	-175.7	-71	-77.9	0	0	0	113.7	Y219 V249 L253 I254 L259 L262 L271 V275 A278	Y219-F251 AromaticContact CD2-CE1 3.85Å; Y219-F251 HydrophobicContact CD2-CE1 3.85Å; Y219-F251 HydrophobicContact CD2-CZ 4.1Å; Y219-F251 HydrophobicContact CE2-CE1 4.1Å; Y219-F251 HydrophobicContact CE2-CZ 4.34Å; V249-F251 HydrophobicContact CB-CD2 4.26Å; V249-F251 HydrophobicContact CB-CE2 3.82Å; V249-F251 HydrophobicContact CB-CZ 3.95Å; V249-F251 HydrophobicContact CG1-CD1 4.14Å; V249-F251 HydrophobicContact CG1-CD2 4.21Å; V249-F251 HydrophobicContact CG1-CE1 3.95Å; V249-F251 HydrophobicContact CG1-CE2 4.03Å; V249-F251 HydrophobicContact CG1-CG 4.25Å; V249-F251 HydrophobicContact CG1-CZ 3.88Å; V249-F251 PolarHBondContact O-N 3.05Å; V249-F251 VanDerWaalsContact O-N 3.11Å; F251-L253 PolarHBondContact O-N 2.84Å; F251-I254 HydrophobicContact CD1-CD1 3.89Å; F251-I254 HydrophobicContact CE1-CD1 4.34Å; F251-I254 PolarHBondContact O-N 3.4Å; F251-L259 HydrophobicContact CB-CD2 4.13Å; F251-L259 HydrophobicContact CD1-CD2 3.98Å; F251-L259 WeakPolarHBondContact O-CD1 3.39Å; F251-L262 HydrophobicContact CE1-CD2 4.1Å; F251-L271 HydrophobicContact CE1-CD1 4.06Å; F251-L271 HydrophobicContact CE2-CD1 3.83Å; F251-L271 HydrophobicContact CZ-CD1 3.37Å; F251-V275 HydrophobicContact CD1-CG2 3.99Å; F251-V275 HydrophobicContact CE1-CG2 4.13Å; F251-V275 HydrophobicContact CG-CG2 4.48Å; F251-A278 HydrophobicContact CB-CB 3.71Å
252	S	96.3	Very high	94.8	Very high	16 Å²	16	52 Å²	52	11%	0.112	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-64.1	-7.8	176.9	-57.5	0	0	0	0	115.1	R250 H282	R250-S252 PolarHBondContact O-N 3.15Å; S252-H282 PolarHBondContact O-NE2 2.61Å
253	L	95.6	Very high	95.5	Very high	26 Å²	26	47.5 Å²	47.5	14%	0.136	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-111.3	-2.2	176	-54.5	-178	0	0	0	113.1	E215 R250 F251 T296 Q297	E215-L253 HydrophobicContact CB-CB 4.47Å; E215-L253 HydrophobicContact CG-CB 3.7Å; E215-L253 HydrophobicContact CG-CD1 4.27Å; R250-L253 HydrophobicContact CB-CD1 4.08Å; R250-L253 HydrophobicContact CB-CG 4.24Å; R250-L253 PolarHBondContact O-N 3.04Å; F251-L253 PolarHBondContact O-N 2.84Å; L253-T296 WeakPolarHBondContact CD2-O 3.48Å; L253-Q297 WeakPolarHBondContact CD1-O 3.31Å
254	I	96.1	Very high	95.6	Very high	7 Å²	7	49.8 Å²	49.8	4%	0.036	25%	0.247	C	C	.	.	S	Bend	trans	-78.4	146.4	171.1	-64.1	-180	0	0	0	108.8	E215 V249 F251 K256 V258 L259 H282	E215-I254 HydrophobicContact CB-CD1 4.29Å; E215-I254 HydrophobicContact CB-CG1 3.51Å; V249-I254 HydrophobicContact CG1-CD1 3.92Å; F251-I254 HydrophobicContact CD1-CD1 3.89Å; F251-I254 HydrophobicContact CE1-CD1 4.34Å; F251-I254 PolarHBondContact O-N 3.4Å; I254-K256 PolarHBondContact O-N 3.48Å; I254-V258 HydrophobicContact CG2-CB 3.79Å; I254-V258 HydrophobicContact CG2-CG1 3.78Å; I254-L259 HydrophobicContact CB-CD2 4.01Å; I254-L259 HydrophobicContact CB-CG 4.14Å; I254-L259 HydrophobicContact CG2-CD2 4.1Å; I254-L259 HydrophobicContact CG2-CG 4.06Å; I254-H282 PolarHBondContact O-CE1 3.26Å; I254-H282 PolarHBondContact O-NE2 3.02Å; I254-H282 VanDerWaalsContact O-NE2 3.07Å
255	E	94.1	Very high	95.5	Very high	139 Å²	139	52.8 Å²	52.8	65%	0.65	26%	0.259	S	S	*	.			trans	-56.4	136.2	179	-65.1	-177.4	178.1	0	0	112.8	Q257 V258 L259	E255-Q257 PolarHBondContact O-N 2.8Å; E255-Q257 VanDerWaalsContact O-N 3.11Å; E255-V258 HydrophobicContact CB-CG2 4.12Å; E255-V258 WeakPolarHBondContact O-CB 3.4Å; E255-V258 PolarHBondContact O-N 2.74Å; E255-L259 PolarHBondContact O-N 3.34Å; E255-L259 VanDerWaalsContact O-N 3.13Å
256	K	95	Very high	95.3	Very high	78 Å²	78	53.2 Å²	53.2	34%	0.339	26%	0.261	S	S	.	.	H	α-helix	trans	-51.9	-40.1	-177.3	-174.4	178	-176.8	171.9	0	113.1	I254 V258 L259 Q260 L279 H282	I254-K256 PolarHBondContact O-N 3.48Å; K256-V258 VanDerWaalsContact C-N 3.35Å; K256-V258 PolarHBondContact O-N 3.28Å; K256-L259 PolarHBondContact O-N 2.88Å; K256-Q260 HydrophobicContact CG-CG 4.5Å; K256-Q260 VanDerWaalsContact O-CG 3.3Å; K256-Q260 WeakPolarHBondContact O-CG 3.42Å; K256-Q260 PolarHBondContact O-N 2.85Å; K256-L279 HydrophobicContact CG-CD2 4.16Å; K256-H282 HydrophobicContact CB-CB 4.46Å; K256-H282 HydrophobicContact CD-CB 4.13Å; K256-H282 HydrophobicContact CG-CB 4.29Å
257	Q	95.8	Very high	95.1	Very high	138 Å²	138	57.2 Å²	57.2	65%	0.645	28%	0.282	S	S	*	.	H	α-helix	trans	-67.4	-34	-179.4	-62.7	-177.9	12.4	0	0	112.7	E255 R261	E255-Q257 PolarHBondContact O-N 2.8Å; E255-Q257 VanDerWaalsContact O-N 3.11Å; Q257-R261 WeakPolarHBondContact O-CG 3.38Å; Q257-R261 PolarHBondContact O-N 2.92Å; Q257-R261 PolarHBondContact O-NE 3.37Å
258	V	95.7	Very high	95	Very high	32 Å²	32	58 Å²	58	19%	0.194	29%	0.293	C	S	.	.	H	α-helix	trans	-68.5	-46.6	175	178.6	0	0	0	0	109.5	I254 E255 K256 Q260 R261 L262	I254-V258 HydrophobicContact CG2-CB 3.79Å; I254-V258 HydrophobicContact CG2-CG1 3.78Å; E255-V258 HydrophobicContact CB-CG2 4.12Å; E255-V258 WeakPolarHBondContact O-CB 3.4Å; E255-V258 PolarHBondContact O-N 2.74Å; K256-V258 VanDerWaalsContact C-N 3.35Å; K256-V258 PolarHBondContact O-N 3.28Å; V258-Q260 VanDerWaalsContact C-N 3.34Å; V258-Q260 PolarHBondContact O-N 3.46Å; V258-R261 PolarHBondContact O-N 3.5Å; V258-L262 PolarHBondContact O-N 3.01Å
259	L	97.1	Very high	94.8	Very high	1 Å²	1	58.8 Å²	58.8	1%	0.005	30%	0.298	C	S	.	.	H	α-helix	trans	-60.6	-40.4	177.2	-65.6	172.1	0	0	0	112.7	F251 I254 E255 K256 L262 H263 V275 A278 L279	F251-L259 HydrophobicContact CB-CD2 4.13Å; F251-L259 HydrophobicContact CD1-CD2 3.98Å; F251-L259 WeakPolarHBondContact O-CD1 3.39Å; I254-L259 HydrophobicContact CB-CD2 4.01Å; I254-L259 HydrophobicContact CB-CG 4.14Å; I254-L259 HydrophobicContact CG2-CD2 4.1Å; I254-L259 HydrophobicContact CG2-CG 4.06Å; E255-L259 PolarHBondContact O-N 3.34Å; E255-L259 VanDerWaalsContact O-N 3.13Å; K256-L259 PolarHBondContact O-N 2.88Å; L259-L262 PolarHBondContact O-N 3.42Å; L259-H263 VanDerWaalsContact O-CB 3.3Å; L259-H263 WeakPolarHBondContact O-CB 3.49Å; L259-H263 PolarHBondContact O-N 3.22Å; L259-V275 HydrophobicContact CB-CG1 4.16Å; L259-V275 HydrophobicContact CD2-CG1 4.07Å; L259-V275 WeakPolarHBondContact O-CG1 3.49Å; L259-A278 HydrophobicContact CD1-CB 3.81Å; L259-A278 HydrophobicContact CD2-CB 4.36Å; L259-L279 HydrophobicContact CB-CD2 3.63Å; L259-L279 HydrophobicContact CB-CG 4.04Å; L259-L279 HydrophobicContact CD1-CD2 4.41Å
260	Q	97.2	Very high	94.5	Very high	99 Å²	99	63.7 Å²	63.7	46%	0.463	33%	0.33	S	S	.	.	H	α-helix	trans	-61.8	-43.9	177.2	-76.6	174	-32.7	0	0	112	K256 V258 G264 L279	K256-Q260 HydrophobicContact CG-CG 4.5Å; K256-Q260 VanDerWaalsContact O-CG 3.3Å; K256-Q260 WeakPolarHBondContact O-CG 3.42Å; K256-Q260 PolarHBondContact O-N 2.85Å; V258-Q260 VanDerWaalsContact C-N 3.34Å; V258-Q260 PolarHBondContact O-N 3.46Å; Q260-G264 PolarHBondContact O-N 2.88Å; Q260-G264 VanDerWaalsContact O-N 3.08Å; Q260-L279 HydrophobicContact CG-CD2 3.69Å
261	R	95.1	Very high	94.4	Very high	167 Å²	167	63.9 Å²	63.9	63%	0.63	33%	0.332	S	S	*	.	H	α-helix	trans	-63.4	-45.1	175.6	-72.3	-176	-71.4	162.4	-3.9	111.4	Q257 V258 G264 R265	Q257-R261 WeakPolarHBondContact O-CG 3.38Å; Q257-R261 PolarHBondContact O-N 2.92Å; Q257-R261 PolarHBondContact O-NE 3.37Å; V258-R261 PolarHBondContact O-N 3.5Å; R261-G264 PolarHBondContact O-N 3.27Å; R261-R265 WeakPolarHBondContact O-CG 3.28Å; R261-R265 PolarHBondContact O-N 2.66Å
262	L	94.3	Very high	94.3	Very high	12 Å²	12	65.3 Å²	65.3	6%	0.063	34%	0.338	C	S	.	.	H	α-helix	trans	-61.8	-50.2	177.6	-179.8	57.6	0	0	0	111.3	Y219 L239 F251 V258 L259 G264 R265 L266 V275	Y219-L262 HydrophobicContact CE2-CD2 4.24Å; L239-L262 HydrophobicContact CD1-CD1 3.83Å; F251-L262 HydrophobicContact CE1-CD2 4.1Å; V258-L262 PolarHBondContact O-N 3.01Å; L259-L262 PolarHBondContact O-N 3.42Å; L262-G264 VanDerWaalsContact C-N 3.28Å; L262-G264 PolarHBondContact O-N 3.14Å; L262-R265 PolarHBondContact O-N 3.27Å; L262-R265 VanDerWaalsContact O-N 3.08Å; L262-L266 HydrophobicContact CD1-CD1 4.07Å; L262-L266 HydrophobicContact CD1-CD2 4.44Å; L262-L266 HydrophobicContact CD1-CG 4.18Å; L262-L266 HydrophobicContact CG-CD1 3.95Å; L262-L266 HydrophobicContact CG-CG 4.49Å; L262-L266 WeakPolarHBondContact O-CG 3.47Å; L262-L266 PolarHBondContact O-N 3.4Å; L262-V275 HydrophobicContact CD2-CG2 3.66Å; L262-V275 HydrophobicContact CG-CG2 4.13Å
263	H	96.1	Very high	94.2	Very high	58 Å²	58	69.7 Å²	69.7	27%	0.269	36%	0.36	S	S	.	.	H	α-helix	trans	-57.5	-39.5	178.6	-178	-96.2	0	0	0	112.9	L259 R265 L266 K272 V275 L279	L259-H263 VanDerWaalsContact O-CB 3.3Å; L259-H263 WeakPolarHBondContact O-CB 3.49Å; L259-H263 PolarHBondContact O-N 3.22Å; H263-R265 VanDerWaalsContact C-N 3.3Å; H263-R265 PolarHBondContact O-N 3.29Å; H263-L266 PolarHBondContact O-N 3.47Å; H263-K272 VanDerWaalsContact NE2-CE 3.31Å; H263-K272 WeakPolarHBondContact NE2-CE 3.35Å; H263-K272 WeakPolarHBondContact O-CE 3.3Å; H263-V275 HydrophobicContact CB-CG1 3.78Å; H263-L279 HydrophobicContact CB-CD1 3.86Å
264	G	94.1	Very high	94.2	Very high	64 Å²	64	71.1 Å²	71.1	66%	0.66	37%	0.372	S	S	*	.	H	α-helix	trans	-66.5	-28.4	178.3	0	0	0	0	0	114	Q260 R261 L262	Q260-G264 PolarHBondContact O-N 2.88Å; Q260-G264 VanDerWaalsContact O-N 3.08Å; R261-G264 PolarHBondContact O-N 3.27Å; L262-G264 VanDerWaalsContact C-N 3.28Å; L262-G264 PolarHBondContact O-N 3.14Å
265	R	92	Very high	94.2	Very high	124 Å²	124	70.8 Å²	70.8	47%	0.468	37%	0.371	S	S	.	.	H	α-helix	trans	-85.2	-23.6	179.1	-70.1	172.7	56.3	-151.3	-10	113.6	D235 R261 L262 H263	D235-R265 IonicContact OD1-CZ 2.75Å; D235-R265 IonicContact OD1-NH1 2.8Å; D235-R265 PolarHBondContact OD1-NH1 3.11Å; D235-R265 IonicContact OD1-NH2 3.51Å; D235-R265 PolarHBondContact OD1-NH2 3.47Å; D235-R265 IonicContact OD2-CZ 3.16Å; D235-R265 IonicContact OD2-NE 2.69Å; D235-R265 IonicContact OD2-NH1 3.28Å; D235-R265 PolarHBondContact OD2-NH1 2.87Å; D235-R265 IonicContact OD2-NH2 2.66Å; D235-R265 PolarHBondContact OD2-NH2 3.27Å; R261-R265 WeakPolarHBondContact O-CG 3.28Å; R261-R265 PolarHBondContact O-N 2.66Å; L262-R265 PolarHBondContact O-N 3.27Å; L262-R265 VanDerWaalsContact O-N 3.08Å; H263-R265 VanDerWaalsContact C-N 3.3Å; H263-R265 PolarHBondContact O-N 3.29Å
266	L	91.9	Very high	94.3	Very high	9 Å²	9	65.3 Å²	65.3	5%	0.047	35%	0.349	C	S	.	.			trans	-79.6	138.1	-176.9	-67	170.1	0	0	0	111.8	L239 L262 H263 L271 K272 V275	L239-L266 HydrophobicContact CB-CD2 3.64Å; L239-L266 HydrophobicContact CD1-CD2 3.88Å; L239-L266 HydrophobicContact CG-CD2 4.43Å; L262-L266 HydrophobicContact CD1-CD1 4.07Å; L262-L266 HydrophobicContact CD1-CD2 4.44Å; L262-L266 HydrophobicContact CD1-CG 4.18Å; L262-L266 HydrophobicContact CG-CD1 3.95Å; L262-L266 HydrophobicContact CG-CG 4.49Å; L262-L266 WeakPolarHBondContact O-CG 3.47Å; L262-L266 PolarHBondContact O-N 3.4Å; H263-L266 PolarHBondContact O-N 3.47Å; L266-L271 HydrophobicContact CD1-CB 4.47Å; L266-L271 HydrophobicContact CD1-CD2 3.99Å; L266-L271 HydrophobicContact CD1-CG 3.83Å; L266-L271 HydrophobicContact CD2-CD2 3.89Å; L266-K272 HydrophobicContact CB-CB 3.94Å; L266-K272 HydrophobicContact CB-CD 3.99Å; L266-K272 HydrophobicContact CB-CG 4Å; L266-K272 HydrophobicContact CD1-CB 4.13Å; L266-K272 WeakPolarHBondContact O-CD 3.36Å; L266-K272 WeakPolarHBondContact O-CE 3.32Å; L266-K272 PolarHBondContact O-NZ 2.99Å; L266-V275 HydrophobicContact CD1-CG2 4.3Å
267	N	90.8	Very high	94.4	Very high	94 Å²	94	63.2 Å²	63.2	50%	0.503	35%	0.347	S	S	.	.			trans	-79	167.4	161.9	-73.3	-33.7	0	0	0	110	Q240 C269 K272	Q240-N267 PolarHBondContact NE2-ND2 3.07Å; N267-C269 PolarHBondContact O-N 3.49Å; N267-C269 PolarHBondContact O-SG 3.21Å; N267-C269 VanDerWaalsContact O-SG 3.37Å; N267-K272 WeakPolarHBondContact O-CD 3.31Å
268	P	92	Very high	94.4	Very high	122 Å²	122	56.7 Å²	56.7	79%	0.792	32%	0.316	S	S	*	.	S	Bend	trans	-53.7	112.3	175.9	-26	35.7	0	0	0	111.8
269	C	90.8	Very high	94.5	Very high	18 Å²	18	56 Å²	56	12%	0.122	31%	0.311	C	S	.	.	S	Bend	trans	-160.3	163.6	179.6	67.7	0	0	0	0	109.7	N267 L271 K272 D273	N267-C269 PolarHBondContact O-N 3.49Å; N267-C269 PolarHBondContact O-SG 3.21Å; N267-C269 VanDerWaalsContact O-SG 3.37Å; C269-L271 VanDerWaalsContact C-N 3.26Å; C269-L271 PolarHBondContact O-N 2.58Å; C269-K272 WeakPolarHBondContact O-CA 3.28Å; C269-K272 WeakPolarHBondContact O-CB 3.49Å; C269-K272 PolarHBondContact O-N 3.15Å; C269-D273 PolarHBondContact O-N 2.88Å
270	P	92	Very high	94.5	Very high	105 Å²	105	62.8 Å²	62.8	68%	0.682	34%	0.337	S	S	*	.	H	α-helix	trans	-54.9	-38.1	-179.6	-28	36	0	0	0	114.1	K272 D273 S274	P270-K272 VanDerWaalsContact C-N 3.3Å; P270-K272 PolarHBondContact O-N 3.5Å; P270-D273 WeakPolarHBondContact O-CB 3.41Å; P270-D273 PolarHBondContact O-N 2.84Å; P270-D273 VanDerWaalsContact O-N 3.16Å; P270-S274 PolarHBondContact O-N 3.34Å; P270-S274 PolarHBondContact O-OG 2.96Å
271	L	93.9	Very high	94.4	Very high	17 Å²	17	58.6 Å²	58.6	9%	0.089	32%	0.317	C	S	.	.	H	α-helix	trans	-60.5	-40.3	175.5	177.7	62.6	0	0	0	111.9	L239 L246 F251 L266 C269 D273 S274 V275	L239-L271 HydrophobicContact CB-CD2 4.06Å; L246-L271 HydrophobicContact CD1-CD1 4.02Å; L246-L271 HydrophobicContact CD1-CD2 3.77Å; L246-L271 HydrophobicContact CD1-CG 4.45Å; F251-L271 HydrophobicContact CE1-CD1 4.06Å; F251-L271 HydrophobicContact CE2-CD1 3.83Å; F251-L271 HydrophobicContact CZ-CD1 3.37Å; L266-L271 HydrophobicContact CD1-CB 4.47Å; L266-L271 HydrophobicContact CD1-CD2 3.99Å; L266-L271 HydrophobicContact CD1-CG 3.83Å; L266-L271 HydrophobicContact CD2-CD2 3.89Å; C269-L271 VanDerWaalsContact C-N 3.26Å; C269-L271 PolarHBondContact O-N 2.58Å; L271-D273 VanDerWaalsContact C-N 3.28Å; L271-D273 PolarHBondContact O-N 3.47Å; L271-S274 PolarHBondContact O-N 3.04Å; L271-V275 HydrophobicContact CD1-CG2 4.22Å; L271-V275 HydrophobicContact CG-CG2 4.44Å; L271-V275 VanDerWaalsContact O-CG2 3.28Å; L271-V275 WeakPolarHBondContact O-CG2 3.44Å; L271-V275 PolarHBondContact O-N 3.22Å
272	K	94.9	Very high	94.4	Very high	46 Å²	46	52.1 Å²	52.1	20%	0.2	29%	0.294	C	S	.	.	H	α-helix	trans	-63.2	-38.2	177.4	-168.9	172.5	-174.2	163.9	0	111.3	H263 L266 N267 C269 P270 V275 A276	H263-K272 VanDerWaalsContact NE2-CE 3.31Å; H263-K272 WeakPolarHBondContact NE2-CE 3.35Å; H263-K272 WeakPolarHBondContact O-CE 3.3Å; L266-K272 HydrophobicContact CB-CB 3.94Å; L266-K272 HydrophobicContact CB-CD 3.99Å; L266-K272 HydrophobicContact CB-CG 4Å; L266-K272 HydrophobicContact CD1-CB 4.13Å; L266-K272 WeakPolarHBondContact O-CD 3.36Å; L266-K272 WeakPolarHBondContact O-CE 3.32Å; L266-K272 PolarHBondContact O-NZ 2.99Å; N267-K272 WeakPolarHBondContact O-CD 3.31Å; C269-K272 WeakPolarHBondContact O-CA 3.28Å; C269-K272 WeakPolarHBondContact O-CB 3.49Å; C269-K272 PolarHBondContact O-N 3.15Å; P270-K272 VanDerWaalsContact C-N 3.3Å; P270-K272 PolarHBondContact O-N 3.5Å; K272-V275 PolarHBondContact O-N 2.86Å; K272-A276 VanDerWaalsContact O-CB 3.28Å; K272-A276 WeakPolarHBondContact O-CB 3.31Å; K272-A276 PolarHBondContact O-N 2.71Å
273	D	94.1	Very high	94.4	Very high	108 Å²	108	57.2 Å²	57.2	58%	0.578	32%	0.317	S	S	*	.	H	α-helix	trans	-66.5	-41.6	176.6	-62.4	-33.2	0	0	0	111.6	C269 P270 L271 A276 A277	C269-D273 PolarHBondContact O-N 2.88Å; P270-D273 WeakPolarHBondContact O-CB 3.41Å; P270-D273 PolarHBondContact O-N 2.84Å; P270-D273 VanDerWaalsContact O-N 3.16Å; L271-D273 VanDerWaalsContact C-N 3.28Å; L271-D273 PolarHBondContact O-N 3.47Å; D273-A276 PolarHBondContact O-N 3Å; D273-A277 WeakPolarHBondContact O-CB 3.29Å; D273-A277 PolarHBondContact O-N 2.89Å
274	S	94.6	Very high	94.3	Very high	55 Å²	55	57.7 Å²	57.7	39%	0.385	32%	0.322	S	S	.	.	H	α-helix	trans	-62	-46	174	-64.8	0	0	0	0	112.2	P270 L271 A276 A277 A278	P270-S274 PolarHBondContact O-N 3.34Å; P270-S274 PolarHBondContact O-OG 2.96Å; L271-S274 PolarHBondContact O-N 3.04Å; S274-A276 VanDerWaalsContact C-N 3.35Å; S274-A276 PolarHBondContact O-N 3.24Å; S274-A277 WeakPolarHBondContact O-CB 3.29Å; S274-A277 PolarHBondContact O-N 3.46Å; S274-A278 PolarHBondContact O-N 2.95Å
275	V	96.6	Very high	94.2	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-65	-39.7	176.2	176.3	0	0	0	0	110.9	F251 L259 L262 H263 L266 L271 K272 A277 A278 L279	F251-V275 HydrophobicContact CD1-CG2 3.99Å; F251-V275 HydrophobicContact CE1-CG2 4.13Å; F251-V275 HydrophobicContact CG-CG2 4.48Å; L259-V275 HydrophobicContact CB-CG1 4.16Å; L259-V275 HydrophobicContact CD2-CG1 4.07Å; L259-V275 WeakPolarHBondContact O-CG1 3.49Å; L262-V275 HydrophobicContact CD2-CG2 3.66Å; L262-V275 HydrophobicContact CG-CG2 4.13Å; H263-V275 HydrophobicContact CB-CG1 3.78Å; L266-V275 HydrophobicContact CD1-CG2 4.3Å; L271-V275 HydrophobicContact CD1-CG2 4.22Å; L271-V275 HydrophobicContact CG-CG2 4.44Å; L271-V275 VanDerWaalsContact O-CG2 3.28Å; L271-V275 WeakPolarHBondContact O-CG2 3.44Å; L271-V275 PolarHBondContact O-N 3.22Å; K272-V275 PolarHBondContact O-N 2.86Å; V275-A277 VanDerWaalsContact C-N 3.32Å; V275-A277 PolarHBondContact O-N 3.39Å; V275-A278 PolarHBondContact O-N 2.87Å; V275-L279 HydrophobicContact CG1-CD1 4.41Å; V275-L279 WeakPolarHBondContact O-CG 3.3Å; V275-L279 PolarHBondContact O-N 3.27Å
276	A	96.9	Very high	94.2	Very high	24 Å²	24	55.6 Å²	55.6	20%	0.198	30%	0.302	C	S	.	.	H	α-helix	trans	-62.7	-38.9	174.3	0	0	0	0	0	111.7	K272 D273 S274 L279 R280	K272-A276 VanDerWaalsContact O-CB 3.28Å; K272-A276 WeakPolarHBondContact O-CB 3.31Å; K272-A276 PolarHBondContact O-N 2.71Å; D273-A276 PolarHBondContact O-N 3Å; S274-A276 VanDerWaalsContact C-N 3.35Å; S274-A276 PolarHBondContact O-N 3.24Å; A276-L279 PolarHBondContact O-N 3.45Å; A276-R280 WeakPolarHBondContact O-CG 3.29Å; A276-R280 PolarHBondContact O-N 3.47Å
277	A	95.8	Very high	94.3	Very high	35 Å²	35	57.7 Å²	57.7	29%	0.289	31%	0.312	S	S	.	.	H	α-helix	trans	-63.3	-42.7	174.3	0	0	0	0	0	112.7	D273 S274 V275 R280 Y281	D273-A277 WeakPolarHBondContact O-CB 3.29Å; D273-A277 PolarHBondContact O-N 2.89Å; S274-A277 WeakPolarHBondContact O-CB 3.29Å; S274-A277 PolarHBondContact O-N 3.46Å; V275-A277 VanDerWaalsContact C-N 3.32Å; V275-A277 PolarHBondContact O-N 3.39Å; A277-R280 PolarHBondContact O-N 3.41Å; A277-Y281 PolarHBondContact O-N 2.94Å
278	A	96.9	Very high	94.5	Very high	1 Å²	1	53.4 Å²	53.4	1%	0.008	29%	0.29	C	S	.	.	H	α-helix	trans	-61	-43.8	173.1	0	0	0	0	0	111.9	F251 L259 S274 V275 R280 Y281 H282	F251-A278 HydrophobicContact CB-CB 3.71Å; L259-A278 HydrophobicContact CD1-CB 3.81Å; L259-A278 HydrophobicContact CD2-CB 4.36Å; S274-A278 PolarHBondContact O-N 2.95Å; V275-A278 PolarHBondContact O-N 2.87Å; A278-R280 PolarHBondContact O-N 3.02Å; A278-Y281 WeakPolarHBondContact O-CA 3.47Å; A278-Y281 VanDerWaalsContact O-CB 3.3Å; A278-Y281 WeakPolarHBondContact O-CB 3.49Å; A278-Y281 PolarHBondContact O-N 2.77Å; A278-Y281 VanDerWaalsContact O-N 3.08Å; A278-H282 PolarHBondContact O-CD2 2.91Å; A278-H282 PolarHBondContact O-N 3.49Å
279	L	97.6	Very high	94.5	Very high	17 Å²	17	47.6 Å²	47.6	9%	0.089	25%	0.252	C	S	.	.	H	α-helix	trans	-59.4	-45.2	176.1	-73.6	171.2	0	0	0	112.3	K256 L259 Q260 H263 V275 A276 Y281 H282 E283	K256-L279 HydrophobicContact CG-CD2 4.16Å; L259-L279 HydrophobicContact CB-CD2 3.63Å; L259-L279 HydrophobicContact CB-CG 4.04Å; L259-L279 HydrophobicContact CD1-CD2 4.41Å; Q260-L279 HydrophobicContact CG-CD2 3.69Å; H263-L279 HydrophobicContact CB-CD1 3.86Å; V275-L279 HydrophobicContact CG1-CD1 4.41Å; V275-L279 WeakPolarHBondContact O-CG 3.3Å; V275-L279 PolarHBondContact O-N 3.27Å; A276-L279 PolarHBondContact O-N 3.45Å; L279-Y281 VanDerWaalsContact C-N 3.26Å; L279-Y281 PolarHBondContact O-N 2.66Å; L279-H282 PolarHBondContact O-N 3.36Å; L279-H282 VanDerWaalsContact O-N 3.17Å; L279-E283 WeakPolarHBondContact O-CG 3.26Å; L279-E283 PolarHBondContact O-N 3.42Å
280	R	96.3	Very high	94.6	Very high	144 Å²	144	49.1 Å²	49.1	54%	0.543	27%	0.265	S	S	.	.	H	α-helix	trans	-59.9	-38.2	173.9	-66.2	-170.9	-35.9	-93.8	-3.1	111.8	A276 A277 A278 H282 E283 N284	A276-R280 WeakPolarHBondContact O-CG 3.29Å; A276-R280 PolarHBondContact O-N 3.47Å; A277-R280 PolarHBondContact O-N 3.41Å; A278-R280 PolarHBondContact O-N 3.02Å; R280-H282 VanDerWaalsContact C-N 3.35Å; R280-E283 PolarHBondContact O-N 3.33Å; R280-N284 PolarHBondContact O-N 3.18Å; R280-N284 PolarHBondContact O-ND2 2.73Å
281	Y	95.8	Very high	94.7	Very high	10 Å²	10	48 Å²	48	4%	0.039	25%	0.253	C	S	.	.	H	α-helix	trans	-62.2	-41.3	176.4	-179.3	-90	0	0	0	111.8	A277 A278 L279 N284 Q288 L291 Q292 T296 R381	A277-Y281 PolarHBondContact O-N 2.94Å; A278-Y281 WeakPolarHBondContact O-CA 3.47Å; A278-Y281 VanDerWaalsContact O-CB 3.3Å; A278-Y281 WeakPolarHBondContact O-CB 3.49Å; A278-Y281 PolarHBondContact O-N 2.77Å; A278-Y281 VanDerWaalsContact O-N 3.08Å; L279-Y281 VanDerWaalsContact C-N 3.26Å; L279-Y281 PolarHBondContact O-N 2.66Å; Y281-N284 PolarHBondContact O-N 2.87Å; Y281-Q288 HydrophobicContact CD1-CG 4.09Å; Y281-Q288 HydrophobicContact CD2-CG 4.15Å; Y281-Q288 HydrophobicContact CE1-CB 4.28Å; Y281-Q288 VanDerWaalsContact CE1-CD 3.43Å; Y281-Q288 HydrophobicContact CE1-CG 3.67Å; Y281-Q288 HydrophobicContact CE2-CB 3.87Å; Y281-Q288 HydrophobicContact CE2-CG 3.75Å; Y281-Q288 HydrophobicContact CG-CG 4.31Å; Y281-Q288 VanDerWaalsContact CZ-CG 3.49Å; Y281-Q288 WeakPolarHBondContact O-CG 3.34Å; Y281-Q288 PolarHBondContact O-NE2 2.92Å; Y281-L291 HydrophobicContact CD2-CB 3.9Å; Y281-L291 HydrophobicContact CD2-CD1 4.3Å; Y281-L291 HydrophobicContact CE2-CB 3.91Å; Y281-Q292 PolarHBondContact OH-NE2 2.94Å; Y281-T296 HydrophobicContact CD2-CG2 4Å; Y281-T296 HydrophobicContact CE2-CG2 3.65Å; Y281-R381 PolarHBondContact OH-NH1 2.97Å; Y281-R381 PolarHBondContact OH-NH2 3.06Å
282	H	94.9	Very high	94.7	Very high	32 Å²	32	49.3 Å²	49.3	15%	0.148	26%	0.259	C	S	.	.	H	α-helix	trans	-68.3	-32.2	173.7	-73	-75.8	0	0	0	113.9	S252 I254 K256 A278 L279 R280 N284	S252-H282 PolarHBondContact O-NE2 2.61Å; I254-H282 PolarHBondContact O-CE1 3.26Å; I254-H282 PolarHBondContact O-NE2 3.02Å; I254-H282 VanDerWaalsContact O-NE2 3.07Å; K256-H282 HydrophobicContact CB-CB 4.46Å; K256-H282 HydrophobicContact CD-CB 4.13Å; K256-H282 HydrophobicContact CG-CB 4.29Å; A278-H282 PolarHBondContact O-CD2 2.91Å; A278-H282 PolarHBondContact O-N 3.49Å; L279-H282 PolarHBondContact O-N 3.36Å; L279-H282 VanDerWaalsContact O-N 3.17Å; R280-H282 VanDerWaalsContact C-N 3.35Å; H282-N284 VanDerWaalsContact C-N 3.26Å; H282-N284 PolarHBondContact O-N 3.1Å
283	E	94.6	Very high	94.5	Very high	118 Å²	118	49.4 Å²	49.4	55%	0.551	27%	0.265	S	S	*	.	H	α-helix	trans	-70.8	-23.8	178	-73.1	169.3	174.3	0	0	113	L279 R280	L279-E283 WeakPolarHBondContact O-CG 3.26Å; L279-E283 PolarHBondContact O-N 3.42Å; R280-E283 PolarHBondContact O-N 3.33Å
284	N	93.4	Very high	94.3	Very high	68 Å²	68	49.4 Å²	49.4	36%	0.364	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.5	55.8	-176.1	-67	-80.9	0	0	0	111.7	R280 Y281 H282 L286 L287 Q288	R280-N284 PolarHBondContact O-N 3.18Å; R280-N284 PolarHBondContact O-ND2 2.73Å; Y281-N284 PolarHBondContact O-N 2.87Å; H282-N284 VanDerWaalsContact C-N 3.26Å; H282-N284 PolarHBondContact O-N 3.1Å; N284-L286 VanDerWaalsContact C-N 3.27Å; N284-L286 PolarHBondContact O-N 2.77Å; N284-L286 VanDerWaalsContact O-N 3.15Å; N284-L287 HydrophobicContact CB-CB 4.01Å; N284-L287 HydrophobicContact CB-CD1 3.97Å; N284-L287 HydrophobicContact CB-CG 4.17Å; N284-L287 PolarHBondContact O-N 3.4Å; N284-Q288 WeakPolarHBondContact O-CG 3.45Å; N284-Q288 PolarHBondContact O-N 3.37Å
285	E	92.7	Very high	94.2	Very high	88 Å²	88	50.7 Å²	50.7	41%	0.411	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-50.2	-44.1	-173.2	-158.9	-162	156.9	0	0	113.1	L287 Q288 R377	E285-L287 PolarHBondContact O-N 2.8Å; E285-Q288 WeakPolarHBondContact O-CB 3.41Å; E285-Q288 WeakPolarHBondContact O-CG 3.28Å; E285-Q288 PolarHBondContact O-N 2.84Å; E285-R377 VanDerWaalsContact O-CZ 3.26Å; E285-R377 PolarHBondContact O-NH1 3Å; E285-R377 PolarHBondContact O-NH2 2.91Å; E285-R377 IonicContact OE1-NH2 2.67Å
286	L	91.9	Very high	94	Very high	56 Å²	56	50.9 Å²	50.9	29%	0.293	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-69	-31.1	-179.8	-65.9	177.1	0	0	0	113.3	N284 P289 R377 I388 N430	N284-L286 VanDerWaalsContact C-N 3.27Å; N284-L286 PolarHBondContact O-N 2.77Å; N284-L286 VanDerWaalsContact O-N 3.15Å; L286-P289 WeakPolarHBondContact O-CD 3.36Å; L286-R377 PolarHBondContact O-NH1 3.01Å; L286-I388 HydrophobicContact CD2-CG2 4.05Å; L286-N430 HydrophobicContact CD1-CB 4.35Å
287	L	93.4	Very high	93.9	Very high	53 Å²	53	51.9 Å²	51.9	28%	0.277	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-80.8	-15.4	179.6	-60.6	-176.8	0	0	0	113.5	N284 E285 P289 A290 L291 V428	N284-L287 HydrophobicContact CB-CB 4.01Å; N284-L287 HydrophobicContact CB-CD1 3.97Å; N284-L287 HydrophobicContact CB-CG 4.17Å; N284-L287 PolarHBondContact O-N 3.4Å; E285-L287 PolarHBondContact O-N 2.8Å; L287-P289 VanDerWaalsContact C-N 3.28Å; L287-P289 VanDerWaalsContact O-N 3.11Å; L287-A290 WeakPolarHBondContact O-CA 3.44Å; L287-A290 WeakPolarHBondContact O-CB 3.04Å; L287-A290 PolarHBondContact O-N 3.24Å; L287-L291 HydrophobicContact CB-CD1 3.95Å; L287-L291 HydrophobicContact CB-CG 4.3Å; L287-L291 WeakPolarHBondContact O-CG 3.2Å; L287-L291 PolarHBondContact O-N 3.01Å; L287-V428 HydrophobicContact CD2-CG1 4.3Å; L287-V428 WeakPolarHBondContact CD2-O 3.33Å
288	Q	94.9	Very high	93.7	Very high	5 Å²	5	50.4 Å²	50.4	2%	0.023	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-47.8	-39.7	-177.4	-69.4	-177.8	0.4	0	0	115	Y281 N284 E285 A290 L291 Q292 F356	Y281-Q288 HydrophobicContact CD1-CG 4.09Å; Y281-Q288 HydrophobicContact CD2-CG 4.15Å; Y281-Q288 HydrophobicContact CE1-CB 4.28Å; Y281-Q288 VanDerWaalsContact CE1-CD 3.43Å; Y281-Q288 HydrophobicContact CE1-CG 3.67Å; Y281-Q288 HydrophobicContact CE2-CB 3.87Å; Y281-Q288 HydrophobicContact CE2-CG 3.75Å; Y281-Q288 HydrophobicContact CG-CG 4.31Å; Y281-Q288 VanDerWaalsContact CZ-CG 3.49Å; Y281-Q288 WeakPolarHBondContact O-CG 3.34Å; Y281-Q288 PolarHBondContact O-NE2 2.92Å; N284-Q288 WeakPolarHBondContact O-CG 3.45Å; N284-Q288 PolarHBondContact O-N 3.37Å; E285-Q288 WeakPolarHBondContact O-CB 3.41Å; E285-Q288 WeakPolarHBondContact O-CG 3.28Å; E285-Q288 PolarHBondContact O-N 2.84Å; Q288-A290 PolarHBondContact O-N 2.93Å; Q288-L291 CarbonylContact O-C 3.59Å; Q288-L291 PolarHBondContact O-N 3.42Å; Q288-Q292 PolarHBondContact O-NE2 2.97Å; Q288-F356 HydrophobicContact CB-CZ 3.97Å
289	P	93.3	Very high	93.5	Very high	0 Å²	0	51 Å²	51	0%	0	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-59	-34.1	175.1	-23	34.7	0	0	0	112.8	L286 L287 N354 F356 Y358	L286-P289 WeakPolarHBondContact O-CD 3.36Å; L287-P289 VanDerWaalsContact C-N 3.28Å; L287-P289 VanDerWaalsContact O-N 3.11Å; P289-N354 WeakPolarHBondContact O-CB 3.49Å; P289-N354 PolarHBondContact O-ND2 2.86Å; P289-F356 HydrophobicContact CB-CD2 3.81Å; P289-F356 HydrophobicContact CB-CE2 4.14Å; P289-F356 HydrophobicContact CB-CG 4.46Å; P289-F356 HydrophobicContact CG-CB 4.5Å; P289-F356 HydrophobicContact CG-CD1 4.47Å; P289-F356 HydrophobicContact CG-CD2 3.7Å; P289-F356 HydrophobicContact CG-CE2 3.96Å; P289-F356 HydrophobicContact CG-CG 3.97Å; P289-F356 HydrophobicContact CG-CZ 4.44Å; P289-Y358 WeakPolarHBondContact CB-OH 3.19Å; P289-Y358 WeakPolarHBondContact CG-OH 3.12Å
290	A	92.8	Very high	93.4	Very high	49 Å²	49	50.4 Å²	50.4	41%	0.405	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-83.7	-13.5	176.4	0	0	0	0	0	113.5	L287 Q288 V428	L287-A290 WeakPolarHBondContact O-CA 3.44Å; L287-A290 WeakPolarHBondContact O-CB 3.04Å; L287-A290 PolarHBondContact O-N 3.24Å; Q288-A290 PolarHBondContact O-N 2.93Å; A290-V428 HydrophobicContact CB-CG2 3.66Å
291	L	93.4	Very high	93.2	Very high	82 Å²	82	47.6 Å²	47.6	43%	0.429	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	-102.4	22.3	-178.2	-60	176.4	0	0	0	112.7	Y281 L287 Q288	Y281-L291 HydrophobicContact CD2-CB 3.9Å; Y281-L291 HydrophobicContact CD2-CD1 4.3Å; Y281-L291 HydrophobicContact CE2-CB 3.91Å; L287-L291 HydrophobicContact CB-CD1 3.95Å; L287-L291 HydrophobicContact CB-CG 4.3Å; L287-L291 WeakPolarHBondContact O-CG 3.2Å; L287-L291 PolarHBondContact O-N 3.01Å; Q288-L291 CarbonylContact O-C 3.59Å; Q288-L291 PolarHBondContact O-N 3.42Å
292	Q	93.1	Very high	93.1	Very high	44 Å²	44	50.1 Å²	50.1	21%	0.206	27%	0.272	C	S	.	.			trans	-69.9	139.1	-179.2	-73	-46.8	-62.6	0	0	113.1	Y281 Q288 T296 N354 F356	Y281-Q292 PolarHBondContact OH-NE2 2.94Å; Q288-Q292 PolarHBondContact O-NE2 2.97Å; Q292-T296 WeakPolarHBondContact CA-OG1 3.48Å; Q292-T296 VanDerWaalsContact CD-OG1 3.3Å; Q292-T296 PolarHBondContact OE1-O 2.84Å; Q292-T296 PolarHBondContact OE1-OG1 3.41Å; Q292-N354 HydrophobicContact CB-CB 4.43Å; Q292-N354 HydrophobicContact CG-CB 3.7Å; Q292-F356 HydrophobicContact CG-CE2 4.43Å
293	S	92.2	Very high	93.2	Very high	48 Å²	48	52.9 Å²	52.9	34%	0.336	29%	0.285	S	S	.	.			trans	-146.2	170.7	171.6	70.7	0	0	0	0	109	L295 T296 Q297	S293-L295 PolarHBondContact O-N 3.08Å; S293-L295 PolarHBondContact OG-N 2.82Å; S293-T296 PolarHBondContact N-OG1 3.28Å; S293-T296 PolarHBondContact O-N 2.67Å; S293-T296 PolarHBondContact O-OG1 3.46Å; S293-Q297 PolarHBondContact O-N 3.43Å
294	P	90.2	Very high	93.4	Very high	108 Å²	108	47.2 Å²	47.2	70%	0.701	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.1	-27.4	171.6	-27.7	36.6	0	0	0	113.6
295	L	91.1	Very high	93.6	Very high	83 Å²	83	44 Å²	44	44%	0.435	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-2.7	-179.8	-60.6	178.7	0	0	0	114.7	R250 S293	R250-L295 VanDerWaalsContact CB-O 3.29Å; R250-L295 WeakPolarHBondContact CB-O 3.3Å; R250-L295 HydrophobicContact CG-CD2 4.28Å; S293-L295 PolarHBondContact O-N 3.08Å; S293-L295 PolarHBondContact OG-N 2.82Å
296	T	93.9	Very high	93.8	Very high	4 Å²	4	39.8 Å²	39.8	3%	0.025	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.4	-5.1	178.7	60.8	0	0	0	0	112.8	L253 Y281 Q292 S293 R381	L253-T296 WeakPolarHBondContact CD2-O 3.48Å; Y281-T296 HydrophobicContact CD2-CG2 4Å; Y281-T296 HydrophobicContact CE2-CG2 3.65Å; Q292-T296 WeakPolarHBondContact CA-OG1 3.48Å; Q292-T296 VanDerWaalsContact CD-OG1 3.3Å; Q292-T296 PolarHBondContact OE1-O 2.84Å; Q292-T296 PolarHBondContact OE1-OG1 3.41Å; S293-T296 PolarHBondContact N-OG1 3.28Å; S293-T296 PolarHBondContact O-N 2.67Å; S293-T296 PolarHBondContact O-OG1 3.46Å; T296-R381 PolarHBondContact O-NH1 3.39Å
297	Q	92.9	Very high	94	Very high	44 Å²	44	37.2 Å²	37.2	21%	0.206	21%	0.209	C	C	.	.	S	Bend	trans	-84.9	139.5	176.4	-71	-66.5	-37	0	0	110.4	R250 L253 S293	R250-Q297 VanDerWaalsContact CD-O 3.3Å; R250-Q297 WeakPolarHBondContact CD-O 3.27Å; R250-Q297 PolarHBondContact NH1-O 3.44Å; L253-Q297 WeakPolarHBondContact CD1-O 3.31Å; S293-Q297 PolarHBondContact O-N 3.43Å
298	P	93.4	Very high	94	Very high	5 Å²	5	34.9 Å²	34.9	3%	0.032	20%	0.197	C	C	.	.			trans	-62.5	143.5	176.9	23.8	-29.3	0	0	0	111.4	R250 S300 R381 L598 P600	R250-P298 VanDerWaalsContact NH1-C 3.31Å; R250-P298 PolarHBondContact NH1-O 2.82Å; P298-S300 VanDerWaalsContact C-N 3.34Å; P298-S300 PolarHBondContact O-N 3.19Å; P298-R381 HydrophobicContact CB-CG 4.18Å; P298-R381 HydrophobicContact CG-CG 3.98Å; P298-L598 HydrophobicContact CG-CD2 4.17Å; P298-L598 HydrophobicContact CG-CG 4.38Å; P298-P600 HydrophobicContact CB-CB 4.32Å; P298-P600 HydrophobicContact CB-CG 3.86Å; P298-P600 HydrophobicContact CG-CG 4.41Å
299	R	92.7	Very high	93.8	Very high	12 Å²	12	35.6 Å²	35.6	5%	0.045	21%	0.205	C	C	.	.	S	Bend	trans	-69.7	93.7	170	-74.3	-174.5	-153.4	-79.2	-1.2	109.5	L205 S206 D208 E215 A248 R250 P601	L205-R299 PolarHBondContact O-NH1 3.29Å; L205-R299 PolarHBondContact O-NH2 3.02Å; S206-R299 PolarHBondContact O-NH1 3.08Å; D208-R299 CarbonylContact O-C 3.59Å; E215-R299 VanDerWaalsContact CD-NE 3.33Å; E215-R299 VanDerWaalsContact OE1-CD 3.26Å; E215-R299 WeakPolarHBondContact OE1-CD 3.3Å; E215-R299 WeakPolarHBondContact OE1-CG 3.46Å; E215-R299 IonicContact OE1-CZ 2.69Å; E215-R299 IonicContact OE1-NE 3.6Å; E215-R299 PolarHBondContact OE1-NE 3.08Å; E215-R299 IonicContact OE1-NH2 2.59Å; E215-R299 IonicContact OE2-CZ 3.71Å; E215-R299 IonicContact OE2-NE 2.65Å; E215-R299 PolarHBondContact OE2-NE 3.08Å; E215-R299 IonicContact OE2-NH2 3.94Å; E215-R299 PolarHBondContact OE2-NH2 3.37Å; A248-R299 PolarHBondContact O-NH2 3.43Å; R250-R299 VanDerWaalsContact NH1-CG 3.34Å; R299-P601 WeakPolarHBondContact O-CD 3.18Å
300	S	93.8	Very high	93.6	Very high	6 Å²	6	36.1 Å²	36.1	4%	0.042	21%	0.21	C	C	.	.			trans	-156.7	153.8	177.9	-170.6	0	0	0	0	110.5	D208 P298 F302 L598 M599	D208-S300 CarbonylContact O-C 3.52Å; D208-S300 WeakPolarHBondContact O-CA 3.32Å; D208-S300 PolarHBondContact O-N 3.2Å; P298-S300 VanDerWaalsContact C-N 3.34Å; P298-S300 PolarHBondContact O-N 3.19Å; S300-F302 PolarHBondContact OG-N 3.36Å; S300-L598 WeakPolarHBondContact O-CD1 3.15Å; S300-M599 VanDerWaalsContact CB-O 3.28Å; S300-M599 WeakPolarHBondContact CB-O 3.27Å; S300-M599 PolarHBondContact OG-O 3.02Å
301	T	93.2	Very high	93.4	Very high	84 Å²	84	35 Å²	35	52%	0.515	20%	0.197	S	C	.	.			trans	-114	-0.9	166.3	52.1	0	0	0	0	111.7	D208 A209 H303	D208-T301 HydrophobicContact CB-CG2 4.28Å; A209-T301 HydrophobicContact CB-CG2 4.38Å; T301-H303 PolarHBondContact O-N 3.34Å
302	F	93.9	Very high	93	Very high	63 Å²	63	34.1 Å²	34.1	28%	0.276	19%	0.19	S	C	.	.			trans	-84.8	92.8	-174.6	-71.4	-95.3	0	0	0	111.4	S300 C304 H328 M599 P601 L604	S300-F302 PolarHBondContact OG-N 3.36Å; F302-C304 PolarHBondContact O-N 2.93Å; F302-H328 AromaticContact CD1-CD2 3.75Å; F302-H328 AromaticContact CD1-CE1 3.96Å; F302-H328 AromaticContact CD1-CG 3.99Å; F302-H328 AromaticContact CD1-NE2 3.73Å; F302-M599 PolarHBondContact O-N 2.75Å; F302-P601 HydrophobicContact CD2-CG 4.46Å; F302-L604 HydrophobicContact CB-CD1 3.67Å; F302-L604 HydrophobicContact CD1-CD1 4.18Å; F302-L604 HydrophobicContact CG-CD1 3.91Å
303	H	96.8	Very high	92.1	Very high	90 Å²	90	35 Å²	35	42%	0.417	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	110.3	166.4	-70	82.5	0	0	0	108.9	T301 H328 L548 V596	T301-H303 PolarHBondContact O-N 3.34Å; H303-H328 PolarHBondContact O-CD2 2.86Å; H303-L548 HydrophobicContact CB-CD1 3.76Å; H303-V596 HydrophobicContact CB-CG1 4.01Å
304	C	97.8	Very high	90.9	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	143.5	-176.9	-63.8	0	0	0	0	111	F302 L306 V326 F327 V596 T597 M599	F302-C304 PolarHBondContact O-N 2.93Å; C304-L306 HydrophobicContact CB-CD2 4.15Å; C304-V326 HydrophobicContact CB-CG2 3.78Å; C304-F327 CarbonylContact C-O 3.48Å; C304-F327 VanDerWaalsContact CA-O 3.27Å; C304-F327 WeakPolarHBondContact CA-O 3.4Å; C304-F327 WeakPolarHBondContact CB-O 3.45Å; C304-V596 WeakPolarHBondContact O-CA 3.33Å; C304-T597 PolarHBondContact N-O 2.72Å; C304-T597 PolarHBondContact O-N 2.76Å; C304-M599 HydrophobicContact CB-CB 4.42Å; C304-M599 HydrophobicContact CB-CG 3.8Å
305	I	98.4	Very high	89.3	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	123.6	167.7	-60	170.8	0	0	0	107.6	V326 F327 W334 A546 L548 Y553 L555 C595 V596	I305-V326 CarbonylContact O-C 3.59Å; I305-V326 WeakPolarHBondContact O-CA 3.31Å; I305-F327 HydrophobicContact CD1-CD1 4.3Å; I305-F327 PolarHBondContact N-O 3.06Å; I305-F327 PolarHBondContact O-N 3.06Å; I305-W334 HydrophobicContact CB-CH2 4.29Å; I305-W334 HydrophobicContact CG2-CH2 3.83Å; I305-W334 HydrophobicContact CG2-CZ3 4.25Å; I305-A546 HydrophobicContact CG1-CB 4.31Å; I305-A546 HydrophobicContact CG2-CB 3.76Å; I305-L548 HydrophobicContact CD1-CD2 4.38Å; I305-L548 HydrophobicContact CG1-CD2 4.2Å; I305-Y553 HydrophobicContact CD1-CD1 3.38Å; I305-Y553 HydrophobicContact CD1-CD2 3.55Å; I305-Y553 HydrophobicContact CD1-CE1 3.62Å; I305-Y553 HydrophobicContact CD1-CE2 3.79Å; I305-Y553 HydrophobicContact CD1-CG 3.36Å; I305-L555 HydrophobicContact CG2-CD1 3.84Å; I305-C595 CarbonylContact C-O 3.54Å; I305-C595 WeakPolarHBondContact CA-O 3.41Å; I305-V596 HydrophobicContact CG1-CG2 4.08Å
306	L	97.6	Very high	87.6	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	141.8	175.7	-53.9	-166	0	0	0	110.1	C304 F308 F324 Q325 V326 Y378 A594 C595 T597 M599	C304-L306 HydrophobicContact CB-CD2 4.15Å; L306-F308 HydrophobicContact CB-CD2 4.31Å; L306-F308 HydrophobicContact CB-CE2 3.53Å; L306-F308 HydrophobicContact CB-CZ 3.83Å; L306-F308 HydrophobicContact CD1-CE2 3.92Å; L306-F308 HydrophobicContact CD1-CZ 3.53Å; L306-F308 HydrophobicContact CG-CE2 4.4Å; L306-F308 HydrophobicContact CG-CZ 4.35Å; L306-F324 HydrophobicContact CD1-CE2 4.09Å; L306-F324 HydrophobicContact CD2-CE2 4.1Å; L306-Q325 CarbonylContact C-O 3.54Å; L306-Q325 WeakPolarHBondContact CA-O 3.27Å; L306-V326 HydrophobicContact CD2-CB 3.79Å; L306-V326 HydrophobicContact CD2-CG2 3.52Å; L306-Y378 HydrophobicContact CD1-CE1 4.11Å; L306-A594 WeakPolarHBondContact O-CA 3.3Å; L306-C595 PolarHBondContact N-O 3.06Å; L306-C595 PolarHBondContact O-N 3.13Å; L306-T597 HydrophobicContact CD1-CG2 3.4Å; L306-T597 HydrophobicContact CG-CG2 3.9Å; L306-M599 HydrophobicContact CD1-SD 4.01Å; L306-M599 HydrophobicContact CD2-CG 4.31Å; L306-M599 HydrophobicContact CD2-SD 4.31Å
307	G	95.3	Very high	85.5	Confident	2 Å²	2	38.3 Å²	38.3	2%	0.021	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	114	175.3	0	0	0	0	0	111.1	F324 Q325 A593	G307-F324 WeakPolarHBondContact O-CB 3.46Å; G307-Q325 PolarHBondContact N-O 3.02Å; G307-Q325 PolarHBondContact O-N 3.02Å; G307-A593 WeakPolarHBondContact CA-O 3.41Å
308	F	93.4	Very high	83.5	Confident	4 Å²	4	39.7 Å²	39.7	2%	0.018	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	141.3	-177.7	-58.6	-79.4	0	0	0	112.7	L306 F324 I350 V357 L359 Y378 W385 A593	L306-F308 HydrophobicContact CB-CD2 4.31Å; L306-F308 HydrophobicContact CB-CE2 3.53Å; L306-F308 HydrophobicContact CB-CZ 3.83Å; L306-F308 HydrophobicContact CD1-CE2 3.92Å; L306-F308 HydrophobicContact CD1-CZ 3.53Å; L306-F308 HydrophobicContact CG-CE2 4.4Å; L306-F308 HydrophobicContact CG-CZ 4.35Å; F308-F324 HydrophobicContact CD1-CB 3.5Å; F308-F324 VanDerWaalsContact CD1-CB 3.5Å; F308-F324 HydrophobicContact CD1-CD1 4.26Å; F308-F324 AromaticContact CD1-CD2 3.97Å; F308-F324 HydrophobicContact CD1-CD2 3.97Å; F308-F324 AromaticContact CD1-CG 3.66Å; F308-F324 HydrophobicContact CD1-CG 3.66Å; F308-F324 HydrophobicContact CE1-CB 3.86Å; F308-F324 AromaticContact CE1-CD1 3.87Å; F308-F324 HydrophobicContact CE1-CD1 3.87Å; F308-F324 AromaticContact CE1-CD2 3.44Å; F308-F324 HydrophobicContact CE1-CD2 3.44Å; F308-F324 VanDerWaalsContact CE1-CD2 3.44Å; F308-F324 HydrophobicContact CE1-CE1 4.26Å; F308-F324 AromaticContact CE1-CE2 3.87Å; F308-F324 HydrophobicContact CE1-CE2 3.87Å; F308-F324 AromaticContact CE1-CG 3.44Å; F308-F324 HydrophobicContact CE1-CG 3.44Å; F308-F324 VanDerWaalsContact CE1-CG 3.44Å; F308-F324 HydrophobicContact CE1-CZ 4.26Å; F308-F324 HydrophobicContact CG-CB 4.37Å; F308-F324 HydrophobicContact CZ-CD2 4Å; F308-F324 HydrophobicContact CZ-CE2 4.18Å; F308-F324 HydrophobicContact CZ-CG 4.43Å; F308-I350 HydrophobicContact CD2-CD1 3.91Å; F308-I350 HydrophobicContact CE2-CD1 4.39Å; F308-V357 HydrophobicContact CD2-CG1 4.39Å; F308-V357 HydrophobicContact CE2-CB 4.47Å; F308-V357 HydrophobicContact CE2-CG1 3.82Å; F308-V357 HydrophobicContact CE2-CG2 4.45Å; F308-V357 HydrophobicContact CZ-CG1 4.46Å; F308-L359 HydrophobicContact CB-CD1 3.91Å; F308-L359 HydrophobicContact CB-CD2 4.34Å; F308-L359 HydrophobicContact CG-CD1 4.2Å; F308-Y378 HydrophobicContact CZ-CD1 4.17Å; F308-Y378 HydrophobicContact CZ-CE1 4.44Å; F308-W385 HydrophobicContact CD1-CH2 4.15Å; F308-W385 AromaticContact CD1-CZ2 3.6Å; F308-W385 HydrophobicContact CD1-CZ2 3.6Å; F308-W385 HydrophobicContact CE1-CH2 4.1Å; F308-W385 AromaticContact CE1-CZ2 3.48Å; F308-W385 HydrophobicContact CE1-CZ2 3.48Å; F308-W385 VanDerWaalsContact CE1-CZ2 3.48Å; F308-W385 HydrophobicContact CG-CZ2 4.4Å; F308-W385 HydrophobicContact CZ-CH2 4.43Å; F308-W385 HydrophobicContact CZ-CZ2 4.18Å; F308-A593 HydrophobicContact CB-CB 4.46Å; F308-A593 PolarHBondContact N-O 2.83Å; F308-A593 PolarHBondContact O-N 3.11Å
309	G	90.3	Very high	81.4	Confident	20 Å²	20	44.1 Å²	44.1	21%	0.206	27%	0.274	C	S	.	.			trans	64.9	-145.6	171.5	0	0	0	0	0	113.6	M345 I589	G309-M345 CarbonylContact C-O 3.51Å; G309-M345 WeakPolarHBondContact CA-O 3.13Å; G309-I589 WeakPolarHBondContact O-CD1 3.36Å
310	G	89.5	Confident	79.8	Confident	10 Å²	10	44.6 Å²	44.6	10%	0.103	28%	0.281	C	S	.	.			trans	98.4	170.6	-179.4	0	0	0	0	0	114.7	M345 S590 G591	G310-M345 PolarHBondContact N-O 2.73Å; G310-S590 CarbonylContact C-O 3.56Å; G310-S590 WeakPolarHBondContact CA-O 3.3Å; G310-G591 WeakPolarHBondContact CA-O 3.41Å
311	M	88.1	Confident	78.2	Confident	25 Å²	25	46.6 Å²	46.6	12%	0.123	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	121.1	177.3	-70.6	-177.2	-83.4	0	0	110.3	N365 F369 R565 I589 S590	M311-N365 WeakPolarHBondContact CG-ND2 3.38Å; M311-F369 HydrophobicContact SD-CE1 4.36Å; M311-R565 WeakPolarHBondContact O-CD 3.4Å; M311-R565 PolarHBondContact O-NE 3.21Å; M311-R565 VanDerWaalsContact O-NE 3.16Å; M311-I589 WeakPolarHBondContact O-CA 3.38Å; M311-S590 PolarHBondContact N-O 3.29Å; M311-S590 PolarHBondContact O-N 3.21Å; M311-S590 VanDerWaalsContact O-N 3.08Å
312	F	85.8	Confident	77.5	Confident	65 Å²	65	46 Å²	46	29%	0.285	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	155.6	177.1	-59.3	-86.1	0	0	0	111.8	S314 R587 R588 I589	F312-S314 VanDerWaalsContact C-N 3.29Å; F312-S314 PolarHBondContact O-N 3.46Å; F312-R587 HydrophobicContact CD1-CB 3.89Å; F312-R587 HydrophobicContact CE1-CB 4.11Å; F312-R588 WeakPolarHBondContact CA-O 3.38Å; F312-I589 HydrophobicContact CD1-CB 4.04Å; F312-I589 HydrophobicContact CD1-CD1 4.07Å; F312-I589 HydrophobicContact CD1-CG1 4.06Å; F312-I589 HydrophobicContact CE1-CB 3.98Å; F312-I589 HydrophobicContact CE1-CD1 3.38Å; F312-I589 HydrophobicContact CE1-CG1 3.87Å; F312-I589 HydrophobicContact CE2-CD1 3.93Å; F312-I589 HydrophobicContact CZ-CD1 3.3Å; F312-I589 HydrophobicContact CZ-CG1 4.15Å
313	S	74.5	Confident	77.1	Confident	63 Å²	63	44.6 Å²	44.6	44%	0.441	28%	0.279	S	S	.	.	S	Bend	trans	-72.1	-14.4	178.5	-63.7	0	0	0	0	115.1	R588	S313-R588 PolarHBondContact N-O 2.79Å
314	S	66.4	Low	76.9	Confident	71 Å²	71	40.6 Å²	40.6	50%	0.497	26%	0.26	S	S	.	.	S	Bend	trans	-119.6	140.9	175.8	55.9	0	0	0	0	111.3	F312 V316 R587	F312-S314 VanDerWaalsContact C-N 3.29Å; F312-S314 PolarHBondContact O-N 3.46Å; S314-V316 WeakPolarHBondContact O-CG2 3.27Å; S314-V316 PolarHBondContact O-N 3.34Å; S314-R587 PolarHBondContact OG-NH2 2.92Å
315	S	56.6	Low	76.6	Confident	123 Å²	123	41.3 Å²	41.3	86%	0.86	26%	0.263	S	S	*	.			trans	-65.3	115.4	169.1	50.9	0	0	0	0	108.5
316	V	54.9	Low	76.6	Confident	40 Å²	40	41.3 Å²	41.3	24%	0.242	26%	0.263	C	S	.	.			trans	-90.4	147.4	-178.7	-152.8	0	0	0	0	109.6	S314 A320	S314-V316 WeakPolarHBondContact O-CG2 3.27Å; S314-V316 PolarHBondContact O-N 3.34Å; V316-A320 HydrophobicContact CB-CB 3.83Å; V316-A320 HydrophobicContact CG1-CB 3.23Å
317	S	51.2	Low	76.5	Confident	77 Å²	77	41.3 Å²	41.3	54%	0.538	26%	0.263	S	S	.	.			trans	-50.9	156.2	165.2	50.3	0	0	0	0	111.3	D319 A320	S317-D319 PolarHBondContact O-N 2.97Å; S317-D319 VanDerWaalsContact O-N 3.14Å; S317-A320 PolarHBondContact O-N 2.9Å
318	A	49.5	Very low	76.6	Confident	73 Å²	73	42.8 Å²	42.8	60%	0.603	27%	0.27	S	S	*	.	G	3₁₀ helix	trans	-56.9	-25.4	179.9	0	0	0	0	0	113.1	A320 D321	A318-A320 PolarHBondContact O-N 2.67Å; A318-D321 WeakPolarHBondContact O-CB 3.33Å; A318-D321 VanDerWaalsContact O-CG 3.27Å; A318-D321 PolarHBondContact O-N 2.75Å
319	D	50.8	Low	76.5	Confident	98 Å²	98	45 Å²	45	52%	0.524	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-70.4	-10.9	179.8	-60.4	-46.9	0	0	0	115.5	S317 D321 Y613	S317-D319 PolarHBondContact O-N 2.97Å; S317-D319 VanDerWaalsContact O-N 3.14Å; D319-D321 VanDerWaalsContact C-N 3.28Å; D319-Y613 PolarHBondContact O-OH 2.85Å; D319-Y613 VanDerWaalsContact O-OH 3.12Å
320	A	58.4	Low	76.6	Confident	22 Å²	22	48 Å²	48	18%	0.182	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-85.5	-1.3	168.7	0	0	0	0	0	113.1	V316 S317 A318 H322 V323	V316-A320 HydrophobicContact CB-CB 3.83Å; V316-A320 HydrophobicContact CG1-CB 3.23Å; S317-A320 PolarHBondContact O-N 2.9Å; A318-A320 PolarHBondContact O-N 2.67Å; A320-H322 PolarHBondContact O-N 3.11Å; A320-V323 WeakPolarHBondContact O-CG2 3.4Å
321	D	60.9	Low	76.8	Confident	48 Å²	48	49.1 Å²	49.1	26%	0.257	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	131.2	162.8	-63.5	-24.3	0	0	0	106.3	A318 D319 R344	A318-D321 WeakPolarHBondContact O-CB 3.33Å; A318-D321 VanDerWaalsContact O-CG 3.27Å; A318-D321 PolarHBondContact O-N 2.75Å; D319-D321 VanDerWaalsContact C-N 3.28Å; D321-R344 WeakPolarHBondContact OD1-CD 3.42Å; D321-R344 IonicContact OD1-CZ 3.62Å; D321-R344 IonicContact OD1-NE 3.7Å; D321-R344 IonicContact OD1-NH1 2.81Å; D321-R344 PolarHBondContact OD1-NH1 3.5Å; D321-R344 IonicContact OD2-NH1 3.94Å
322	H	76.4	Confident	77	Confident	71 Å²	71	54.1 Å²	54.1	33%	0.329	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	94	3.6	179.1	-44.3	-47	0	0	0	118.5	A320 K338 A339 H341 A342	A320-H322 PolarHBondContact O-N 3.11Å; H322-K338 HydrophobicContact CB-CG 4.12Å; H322-K338 CarbonylContact O-C 3.54Å; H322-K338 WeakPolarHBondContact O-CA 3.46Å; H322-A339 VanDerWaalsContact CB-O 3.32Å; H322-A339 WeakPolarHBondContact CB-O 3.46Å; H322-A339 PolarHBondContact O-N 3.48Å; H322-H341 PolarHBondContact ND1-N 3.35Å; H322-A342 PolarHBondContact ND1-N 3.22Å
323	V	86.9	Confident	77.4	Confident	35 Å²	35	54.4 Å²	54.4	21%	0.212	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	147.3	176	-61.5	0	0	0	0	114.4	A320 T336 L337 K338 Y613	A320-V323 WeakPolarHBondContact O-CG2 3.4Å; V323-T336 HydrophobicContact CB-CG2 3.54Å; V323-T336 HydrophobicContact CG1-CG2 3.94Å; V323-T336 HydrophobicContact CG2-CG2 4.2Å; V323-L337 CarbonylContact C-O 3.55Å; V323-L337 VanDerWaalsContact CA-O 3.25Å; V323-L337 WeakPolarHBondContact CA-O 3.31Å; V323-K338 HydrophobicContact CG1-CB 4.29Å; V323-K338 HydrophobicContact CG1-CG 4.44Å; V323-Y613 HydrophobicContact CG1-CE2 3.9Å
324	F	91.4	Very high	78.4	Confident	6 Å²	6	51.9 Å²	51.9	3%	0.026	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	158.4	172.5	69.4	-86.9	0	0	0	111.2	L306 G307 F308 T336 L337 A339 Y378	L306-F324 HydrophobicContact CD1-CE2 4.09Å; L306-F324 HydrophobicContact CD2-CE2 4.1Å; G307-F324 WeakPolarHBondContact O-CB 3.46Å; F308-F324 HydrophobicContact CD1-CB 3.5Å; F308-F324 VanDerWaalsContact CD1-CB 3.5Å; F308-F324 HydrophobicContact CD1-CD1 4.26Å; F308-F324 AromaticContact CD1-CD2 3.97Å; F308-F324 HydrophobicContact CD1-CD2 3.97Å; F308-F324 AromaticContact CD1-CG 3.66Å; F308-F324 HydrophobicContact CD1-CG 3.66Å; F308-F324 HydrophobicContact CE1-CB 3.86Å; F308-F324 AromaticContact CE1-CD1 3.87Å; F308-F324 HydrophobicContact CE1-CD1 3.87Å; F308-F324 AromaticContact CE1-CD2 3.44Å; F308-F324 HydrophobicContact CE1-CD2 3.44Å; F308-F324 VanDerWaalsContact CE1-CD2 3.44Å; F308-F324 HydrophobicContact CE1-CE1 4.26Å; F308-F324 AromaticContact CE1-CE2 3.87Å; F308-F324 HydrophobicContact CE1-CE2 3.87Å; F308-F324 AromaticContact CE1-CG 3.44Å; F308-F324 HydrophobicContact CE1-CG 3.44Å; F308-F324 VanDerWaalsContact CE1-CG 3.44Å; F308-F324 HydrophobicContact CE1-CZ 4.26Å; F308-F324 HydrophobicContact CG-CB 4.37Å; F308-F324 HydrophobicContact CZ-CD2 4Å; F308-F324 HydrophobicContact CZ-CE2 4.18Å; F308-F324 HydrophobicContact CZ-CG 4.43Å; F324-T336 WeakPolarHBondContact O-CA 3.41Å; F324-L337 HydrophobicContact CD1-CB 4.19Å; F324-L337 HydrophobicContact CE1-CB 3.55Å; F324-L337 HydrophobicContact CE2-CB 3.96Å; F324-L337 HydrophobicContact CE2-CD1 3.9Å; F324-L337 HydrophobicContact CZ-CB 3.42Å; F324-L337 VanDerWaalsContact CZ-CB 3.42Å; F324-L337 HydrophobicContact CZ-CD1 3.62Å; F324-L337 HydrophobicContact CZ-CG 4.16Å; F324-L337 PolarHBondContact N-O 3.19Å; F324-L337 PolarHBondContact O-N 2.8Å; F324-A339 HydrophobicContact CD1-CB 4.39Å; F324-A339 HydrophobicContact CE1-CB 3.9Å; F324-Y378 HydrophobicContact CE1-CE2 4.28Å; F324-Y378 HydrophobicContact CZ-CE1 4.44Å; F324-Y378 HydrophobicContact CZ-CE2 4.28Å; F324-Y378 AromaticContact CZ-CZ 3.8Å; F324-Y378 WeakPolarHBondContact CZ-OH 3.2Å
325	Q	93.4	Very high	79.7	Confident	14 Å²	14	52 Å²	52	7%	0.065	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	141.8	-175.9	-58.1	-173	-70.5	0	0	110.7	L306 G307 W334 R335	L306-Q325 CarbonylContact C-O 3.54Å; L306-Q325 WeakPolarHBondContact CA-O 3.27Å; G307-Q325 PolarHBondContact N-O 3.02Å; G307-Q325 PolarHBondContact O-N 3.02Å; Q325-W334 HydrophobicContact CB-CE3 3.97Å; Q325-W334 HydrophobicContact CB-CZ3 4.41Å; Q325-R335 WeakPolarHBondContact CA-O 3.38Å
326	V	96.5	Very high	81.4	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	137.9	176.3	57.5	0	0	0	0	110	C304 I305 L306 W331 R335 L337 L604 A607	C304-V326 HydrophobicContact CB-CG2 3.78Å; I305-V326 CarbonylContact O-C 3.59Å; I305-V326 WeakPolarHBondContact O-CA 3.31Å; L306-V326 HydrophobicContact CD2-CB 3.79Å; L306-V326 HydrophobicContact CD2-CG2 3.52Å; V326-W331 HydrophobicContact CG1-CZ3 4.36Å; V326-W331 HydrophobicContact CG2-CH2 4.49Å; V326-W331 HydrophobicContact CG2-CZ3 4.29Å; V326-R335 HydrophobicContact CG1-CB 3.99Å; V326-R335 PolarHBondContact N-O 2.84Å; V326-R335 PolarHBondContact O-N 3.02Å; V326-L337 HydrophobicContact CB-CD1 4.23Å; V326-L337 HydrophobicContact CG1-CD1 3.86Å; V326-L337 HydrophobicContact CG1-CG 3.91Å; V326-L604 HydrophobicContact CG2-CD2 3.94Å; V326-A607 HydrophobicContact CG1-CB 3.96Å
327	F	97.1	Very high	83.2	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	142.4	177.2	176.9	-101.5	0	0	0	111.2	C304 I305 W331 W334 Y553 E582	C304-F327 CarbonylContact C-O 3.48Å; C304-F327 VanDerWaalsContact CA-O 3.27Å; C304-F327 WeakPolarHBondContact CA-O 3.4Å; C304-F327 WeakPolarHBondContact CB-O 3.45Å; I305-F327 HydrophobicContact CD1-CD1 4.3Å; I305-F327 PolarHBondContact N-O 3.06Å; I305-F327 PolarHBondContact O-N 3.06Å; F327-W331 HydrophobicContact CE2-CB 4.49Å; F327-W331 WeakPolarHBondContact CE2-O 3.3Å; F327-W334 HydrophobicContact CB-CD2 3.58Å; F327-W334 HydrophobicContact CB-CE3 3.35Å; F327-W334 HydrophobicContact CB-CG 4.34Å; F327-W334 HydrophobicContact CB-CH2 3.69Å; F327-W334 HydrophobicContact CB-CZ2 3.9Å; F327-W334 HydrophobicContact CB-CZ3 3.41Å; F327-W334 VanDerWaalsContact CB-CZ3 3.41Å; F327-W334 HydrophobicContact CD1-CH2 4.5Å; F327-W334 HydrophobicContact CD1-CZ2 4.25Å; F327-W334 HydrophobicContact CD2-CD2 4.23Å; F327-W334 HydrophobicContact CD2-CG 4.29Å; F327-W334 HydrophobicContact CG-CD2 4.08Å; F327-W334 AromaticContact CG-CE2 3.93Å; F327-W334 HydrophobicContact CG-CE3 4.32Å; F327-W334 HydrophobicContact CG-CH2 4.28Å; F327-W334 HydrophobicContact CG-CZ2 4.05Å; F327-W334 HydrophobicContact CG-CZ3 4.42Å; F327-Y553 HydrophobicContact CE1-CE1 4.39Å; F327-E582 HydrophobicContact CE1-CG 4.15Å; F327-E582 HydrophobicContact CZ-CG 3.99Å
328	H	95.8	Very high	85.1	Confident	33 Å²	33	47 Å²	47	15%	0.153	26%	0.259	C	S	.	.			trans	-121.4	138	168.4	-175.4	-97.8	0	0	0	107.9	F302 H303 S330 W331	F302-H328 AromaticContact CD1-CD2 3.75Å; F302-H328 AromaticContact CD1-CE1 3.96Å; F302-H328 AromaticContact CD1-CG 3.99Å; F302-H328 AromaticContact CD1-NE2 3.73Å; H303-H328 PolarHBondContact O-CD2 2.86Å; H328-S330 PolarHBondContact CE1-OG 2.78Å; H328-S330 WeakPolarHBondContact ND1-CB 3.38Å; H328-S330 PolarHBondContact ND1-N 2.92Å; H328-S330 PolarHBondContact ND1-OG 3.42Å; H328-S330 PolarHBondContact O-N 3.23Å; H328-W331 HydrophobicContact CB-CD2 3.71Å; H328-W331 HydrophobicContact CB-CE3 4.11Å; H328-W331 HydrophobicContact CB-CG 4.05Å; H328-W331 HydrophobicContact CB-CZ2 4.15Å; H328-W331 HydrophobicContact CB-CZ3 4.5Å; H328-W331 WeakPolarHBondContact O-CB 3.3Å; H328-W331 PolarHBondContact O-N 2.73Å
329	P	92.8	Very high	86.8	Confident	50 Å²	50	43.6 Å²	43.6	33%	0.325	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-22.6	-177	-27.8	35.6	0	0	0	115.4	W331 L548	P329-W331 PolarHBondContact O-N 3.03Å; P329-L548 HydrophobicContact CG-CD2 3.49Å; P329-L548 VanDerWaalsContact CG-CD2 3.49Å
330	S	92.5	Very high	88.2	Confident	84 Å²	84	41.9 Å²	41.9	59%	0.587	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79	-2.4	175.6	81.9	0	0	0	0	114	H328	H328-S330 PolarHBondContact CE1-OG 2.78Å; H328-S330 WeakPolarHBondContact ND1-CB 3.38Å; H328-S330 PolarHBondContact ND1-N 2.92Å; H328-S330 PolarHBondContact ND1-OG 3.42Å; H328-S330 PolarHBondContact O-N 3.23Å
331	W	93.9	Very high	89	Confident	33 Å²	33	47 Å²	47	13%	0.125	25%	0.25	C	S	.	.			trans	-99.2	152.6	-179.7	-60.3	-10.6	0	0	0	111	V326 F327 H328 P329 R335 L604	V326-W331 HydrophobicContact CG1-CZ3 4.36Å; V326-W331 HydrophobicContact CG2-CH2 4.49Å; V326-W331 HydrophobicContact CG2-CZ3 4.29Å; F327-W331 HydrophobicContact CE2-CB 4.49Å; F327-W331 WeakPolarHBondContact CE2-O 3.3Å; H328-W331 HydrophobicContact CB-CD2 3.71Å; H328-W331 HydrophobicContact CB-CE3 4.11Å; H328-W331 HydrophobicContact CB-CG 4.05Å; H328-W331 HydrophobicContact CB-CZ2 4.15Å; H328-W331 HydrophobicContact CB-CZ3 4.5Å; H328-W331 WeakPolarHBondContact O-CB 3.3Å; H328-W331 PolarHBondContact O-N 2.73Å; P329-W331 PolarHBondContact O-N 3.03Å; W331-R335 HydrophobicContact CE3-CG 4.11Å; W331-R335 HydrophobicContact CZ3-CB 4.13Å; W331-R335 HydrophobicContact CZ3-CG 4.01Å; W331-L604 HydrophobicContact CH2-CB 4.46Å; W331-L604 HydrophobicContact CH2-CD2 3.85Å; W331-L604 HydrophobicContact CZ2-CD1 4.45Å; W331-L604 HydrophobicContact CZ2-CD2 4.41Å
332	T	91.8	Very high	89.7	Confident	131 Å²	131	45.4 Å²	45.4	80%	0.804	24%	0.243	S	C	*	.	S	Bend	trans	-93.2	-2.6	177.8	58.4	0	0	0	0	113.4	T583	T332-T583 WeakPolarHBondContact O-CG2 3.39Å
333	E	94.2	Very high	89.7	Confident	70 Å²	70	42.8 Å²	42.8	33%	0.327	23%	0.233	S	C	.	.	S	Bend	trans	-146.8	151.2	-177.1	67.2	175.6	165.3	0	0	111.9	R335	E333-R335 HydrophobicContact CG-CG 4.31Å
334	W	95	Very high	89.2	Confident	10 Å²	10	47 Å²	47	4%	0.038	25%	0.245	C	C	.	.			trans	-72.9	134	163.8	-71.9	81.3	0	0	0	109.8	I305 Q325 F327 L555 V569 T583 L585	I305-W334 HydrophobicContact CB-CH2 4.29Å; I305-W334 HydrophobicContact CG2-CH2 3.83Å; I305-W334 HydrophobicContact CG2-CZ3 4.25Å; Q325-W334 HydrophobicContact CB-CE3 3.97Å; Q325-W334 HydrophobicContact CB-CZ3 4.41Å; F327-W334 HydrophobicContact CB-CD2 3.58Å; F327-W334 HydrophobicContact CB-CE3 3.35Å; F327-W334 HydrophobicContact CB-CG 4.34Å; F327-W334 HydrophobicContact CB-CH2 3.69Å; F327-W334 HydrophobicContact CB-CZ2 3.9Å; F327-W334 HydrophobicContact CB-CZ3 3.41Å; F327-W334 VanDerWaalsContact CB-CZ3 3.41Å; F327-W334 HydrophobicContact CD1-CH2 4.5Å; F327-W334 HydrophobicContact CD1-CZ2 4.25Å; F327-W334 HydrophobicContact CD2-CD2 4.23Å; F327-W334 HydrophobicContact CD2-CG 4.29Å; F327-W334 HydrophobicContact CG-CD2 4.08Å; F327-W334 AromaticContact CG-CE2 3.93Å; F327-W334 HydrophobicContact CG-CE3 4.32Å; F327-W334 HydrophobicContact CG-CH2 4.28Å; F327-W334 HydrophobicContact CG-CZ2 4.05Å; F327-W334 HydrophobicContact CG-CZ3 4.42Å; W334-L555 HydrophobicContact CH2-CD1 3.72Å; W334-L555 HydrophobicContact CH2-CD2 3.81Å; W334-L555 HydrophobicContact CH2-CG 4.41Å; W334-L555 HydrophobicContact CZ2-CD2 3.81Å; W334-L555 HydrophobicContact CZ3-CD1 4.4Å; W334-V569 HydrophobicContact CZ2-CG1 4.37Å; W334-V569 HydrophobicContact CZ2-CG2 3.98Å; W334-T583 PolarHBondContact NE1-O 3.28Å; W334-L585 HydrophobicContact CD2-CD2 3.5Å; W334-L585 VanDerWaalsContact CE2-CD2 3.47Å; W334-L585 HydrophobicContact CE3-CD2 3.88Å; W334-L585 HydrophobicContact CG-CD2 3.94Å; W334-L585 HydrophobicContact CH2-CD2 4.22Å; W334-L585 HydrophobicContact CZ2-CD2 3.86Å; W334-L585 HydrophobicContact CZ3-CD2 4.22Å
335	R	94.5	Very high	89	Confident	73 Å²	73	46.9 Å²	46.9	28%	0.275	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	166.9	174.8	-60.7	-177.2	-176.2	171.1	2.9	110.5	Q325 V326 W331 E333 A607 R608	Q325-R335 WeakPolarHBondContact CA-O 3.38Å; V326-R335 HydrophobicContact CG1-CB 3.99Å; V326-R335 PolarHBondContact N-O 2.84Å; V326-R335 PolarHBondContact O-N 3.02Å; W331-R335 HydrophobicContact CE3-CG 4.11Å; W331-R335 HydrophobicContact CZ3-CB 4.13Å; W331-R335 HydrophobicContact CZ3-CG 4.01Å; E333-R335 HydrophobicContact CG-CG 4.31Å; R335-A607 HydrophobicContact CB-CB 3.8Å; R335-R608 CarbonylContact C-O 3.57Å; R335-R608 WeakPolarHBondContact CA-O 3.47Å; R335-R608 WeakPolarHBondContact CB-O 3.48Å
336	T	91.9	Very high	88.8	Confident	8 Å²	8	46.2 Å²	46.2	5%	0.049	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	138.3	-179.3	-54.4	0	0	0	0	109.8	V323 F324 A607 R608	V323-T336 HydrophobicContact CB-CG2 3.54Å; V323-T336 HydrophobicContact CG1-CG2 3.94Å; V323-T336 HydrophobicContact CG2-CG2 4.2Å; F324-T336 WeakPolarHBondContact O-CA 3.41Å; T336-A607 WeakPolarHBondContact O-CA 3.42Å; T336-R608 PolarHBondContact N-O 3.48Å; T336-R608 PolarHBondContact O-N 2.77Å; T336-R608 VanDerWaalsContact O-N 3.08Å
337	L	92.1	Very high	88.6	Confident	4 Å²	4	47.3 Å²	47.3	2%	0.021	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	146.3	171.1	-77.9	168.9	0	0	0	109.5	V323 F324 V326 M599 V603 Q606 A607	V323-L337 CarbonylContact C-O 3.55Å; V323-L337 VanDerWaalsContact CA-O 3.25Å; V323-L337 WeakPolarHBondContact CA-O 3.31Å; F324-L337 HydrophobicContact CD1-CB 4.19Å; F324-L337 HydrophobicContact CE1-CB 3.55Å; F324-L337 HydrophobicContact CE2-CB 3.96Å; F324-L337 HydrophobicContact CE2-CD1 3.9Å; F324-L337 HydrophobicContact CZ-CB 3.42Å; F324-L337 VanDerWaalsContact CZ-CB 3.42Å; F324-L337 HydrophobicContact CZ-CD1 3.62Å; F324-L337 HydrophobicContact CZ-CG 4.16Å; F324-L337 PolarHBondContact N-O 3.19Å; F324-L337 PolarHBondContact O-N 2.8Å; V326-L337 HydrophobicContact CB-CD1 4.23Å; V326-L337 HydrophobicContact CG1-CD1 3.86Å; V326-L337 HydrophobicContact CG1-CG 3.91Å; L337-M599 HydrophobicContact CD1-CE 3.72Å; L337-V603 HydrophobicContact CD1-CG1 4.13Å; L337-V603 HydrophobicContact CD2-CG1 4.39Å; L337-V603 WeakPolarHBondContact CD2-O 3.08Å; L337-Q606 HydrophobicContact CD2-CB 4.03Å; L337-A607 HydrophobicContact CD2-CB 3.77Å; L337-A607 HydrophobicContact CG-CB 3.93Å
338	K	90.4	Very high	88.4	Confident	125 Å²	125	47.9 Å²	47.9	54%	0.543	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	127.1	171.9	-172	174	-178.6	173.2	0	108.4	H322 V323 N383	H322-K338 HydrophobicContact CB-CG 4.12Å; H322-K338 CarbonylContact O-C 3.54Å; H322-K338 WeakPolarHBondContact O-CA 3.46Å; V323-K338 HydrophobicContact CG1-CB 4.29Å; V323-K338 HydrophobicContact CG1-CG 4.44Å; K338-N383 PolarHBondContact O-ND2 3.28Å
339	A	86.9	Confident	88.4	Confident	1 Å²	1	46.4 Å²	46.4	1%	0.008	24%	0.244	C	C	.	.			trans	-128.8	121.1	174.4	0	0	0	0	0	108.9	H322 F324 H341 A342 Y378 N383	H322-A339 VanDerWaalsContact CB-O 3.32Å; H322-A339 WeakPolarHBondContact CB-O 3.46Å; H322-A339 PolarHBondContact O-N 3.48Å; F324-A339 HydrophobicContact CD1-CB 4.39Å; F324-A339 HydrophobicContact CE1-CB 3.9Å; A339-H341 PolarHBondContact O-N 2.77Å; A339-A342 WeakPolarHBondContact O-CB 3.45Å; A339-A342 PolarHBondContact O-N 3.16Å; A339-A342 VanDerWaalsContact O-N 3.12Å; A339-Y378 HydrophobicContact CB-CE2 4.12Å; A339-N383 WeakPolarHBondContact CB-O 3.39Å
340	A	79.8	Confident	88.6	Confident	62 Å²	62	45.8 Å²	45.8	51%	0.512	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51	138.1	178.2	0	0	0	0	0	110.5	A342	A340-A342 VanDerWaalsContact C-N 3.29Å; A340-A342 PolarHBondContact O-N 3.39Å
341	H	75.7	Confident	88.8	Confident	130 Å²	130	42.1 Å²	42.1	60%	0.602	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.8	16.5	-179.4	-46.3	-69.9	0	0	0	116.5	H322 A339	H322-H341 PolarHBondContact ND1-N 3.35Å; A339-H341 PolarHBondContact O-N 2.77Å
342	A	75.7	Confident	89	Confident	13 Å²	13	43 Å²	43	11%	0.107	22%	0.221	C	C	.	.			trans	-58	130.1	175.5	0	0	0	0	0	111.3	H322 A339 A340 R344	H322-A342 PolarHBondContact ND1-N 3.22Å; A339-A342 WeakPolarHBondContact O-CB 3.45Å; A339-A342 PolarHBondContact O-N 3.16Å; A339-A342 VanDerWaalsContact O-N 3.12Å; A340-A342 VanDerWaalsContact C-N 3.29Å; A340-A342 PolarHBondContact O-N 3.39Å; A342-R344 PolarHBondContact O-N 2.85Å
343	P	75.5	Confident	89.3	Confident	17 Å²	17	37.2 Å²	37.2	11%	0.11	19%	0.185	C	C	.	.			trans	-74.6	126	-174.7	28.6	-34.3	0	0	0	111.7	M345 L359 W376	P343-M345 HydrophobicContact CB-SD 4.4Å; P343-M345 PolarHBondContact O-N 2.82Å; P343-L359 HydrophobicContact CG-CD1 3.67Å; P343-W376 HydrophobicContact CB-CG 4.3Å; P343-W376 HydrophobicContact CG-CB 4.4Å; P343-W376 HydrophobicContact CG-CG 3.99Å
344	R	77.1	Confident	89.3	Confident	122 Å²	122	37.7 Å²	37.7	46%	0.46	19%	0.19	S	C	.	.			trans	-87.4	87.6	175.6	-176.7	169.4	169.9	-167.8	1	111.6	D321 A342	D321-R344 WeakPolarHBondContact OD1-CD 3.42Å; D321-R344 IonicContact OD1-CZ 3.62Å; D321-R344 IonicContact OD1-NE 3.7Å; D321-R344 IonicContact OD1-NH1 2.81Å; D321-R344 PolarHBondContact OD1-NH1 3.5Å; D321-R344 IonicContact OD2-NH1 3.94Å; A342-R344 PolarHBondContact O-N 2.85Å
345	M	86.1	Confident	89.4	Confident	4 Å²	4	38.2 Å²	38.2	2%	0.02	19%	0.194	C	C	.	.			trans	-142.8	159.9	-179.3	-65.8	168.6	60.5	0	0	110.6	G309 G310 P343 Q348 G361 D363 E372	G309-M345 CarbonylContact C-O 3.51Å; G309-M345 WeakPolarHBondContact CA-O 3.13Å; G310-M345 PolarHBondContact N-O 2.73Å; P343-M345 HydrophobicContact CB-SD 4.4Å; P343-M345 PolarHBondContact O-N 2.82Å; M345-Q348 VanDerWaalsContact CB-CD 3.45Å; M345-Q348 HydrophobicContact CB-CG 3.58Å; M345-Q348 HydrophobicContact CE-CG 4.31Å; M345-Q348 PolarHBondContact O-NE2 3.39Å; M345-Q348 VanDerWaalsContact O-NE2 3.09Å; M345-G361 VanDerWaalsContact CE-C 3.43Å; M345-G361 WeakPolarHBondContact CE-O 3.31Å; M345-D363 VanDerWaalsContact CA-O 3.28Å; M345-D363 WeakPolarHBondContact CA-O 3.31Å; M345-D363 WeakPolarHBondContact CB-O 3.42Å; M345-E372 HydrophobicContact CE-CB 3.33Å; M345-E372 HydrophobicContact CE-CG 3.46Å; M345-E372 VanDerWaalsContact CE-CG 3.46Å; M345-E372 HydrophobicContact SD-CB 4.41Å; M345-E372 HydrophobicContact SD-CG 3.94Å
346	S	89.6	Confident	89.5	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.181	C	C	.	.	B	Isolated β-bridge	trans	-117.9	170.4	169.1	73.8	0	0	0	0	111	Q348 D363 N365 G591	S346-Q348 PolarHBondContact O-N 2.97Å; S346-D363 PolarHBondContact N-O 3.48Å; S346-D363 VanDerWaalsContact N-O 3.14Å; S346-D363 PolarHBondContact O-N 3.47Å; S346-N365 WeakPolarHBondContact CB-ND2 3.39Å; S346-N365 PolarHBondContact N-ND2 3.03Å; S346-N365 PolarHBondContact OG-ND2 2.97Å; S346-G591 WeakPolarHBondContact CA-O 3.28Å; S346-G591 WeakPolarHBondContact CB-O 3.42Å
347	N	91.7	Very high	89.8	Confident	23 Å²	23	34.5 Å²	34.5	12%	0.123	18%	0.179	C	C	.	.	S	Bend	trans	50.8	35.5	177.8	-56.8	-37.2	0	0	0	111.2	G362 D363 G591	N347-G362 WeakPolarHBondContact O-CA 3.41Å; N347-D363 WeakPolarHBondContact CB-OD2 3.47Å; N347-D363 PolarHBondContact ND2-OD2 2.98Å; N347-G591 PolarHBondContact N-O 3.24Å; N347-G591 WeakPolarHBondContact OD1-CA 3.39Å
348	Q	93.2	Very high	90.1	Very high	12 Å²	12	34.4 Å²	34.4	6%	0.056	18%	0.178	C	C	.	.			trans	-75.2	140.2	177.5	-61.5	-177.8	76.3	0	0	108.3	M345 S346 L359 A593	M345-Q348 VanDerWaalsContact CB-CD 3.45Å; M345-Q348 HydrophobicContact CB-CG 3.58Å; M345-Q348 HydrophobicContact CE-CG 4.31Å; M345-Q348 PolarHBondContact O-NE2 3.39Å; M345-Q348 VanDerWaalsContact O-NE2 3.09Å; S346-Q348 PolarHBondContact O-N 2.97Å; Q348-L359 HydrophobicContact CB-CD2 4.32Å; Q348-A593 HydrophobicContact CB-CB 4.21Å
349	G	95.9	Very high	90.4	Very high	3 Å²	3	28.5 Å²	28.5	3%	0.031	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	132.6	165.2	0	0	0	0	0	109.2	L359 I360 V400	G349-L359 WeakPolarHBondContact O-CA 3.32Å; G349-I360 PolarHBondContact N-O 2.8Å; G349-I360 PolarHBondContact O-N 3.05Å; G349-V400 VanDerWaalsContact CA-CG2 3.46Å
350	I	97.4	Very high	90.9	Very high	36 Å²	36	28.4 Å²	28.4	19%	0.185	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	138	179.8	-169.3	163.6	0	0	0	111.2	F308 V357 Y358 L359 A593 A594 C595	F308-I350 HydrophobicContact CD2-CD1 3.91Å; F308-I350 HydrophobicContact CE2-CD1 4.39Å; I350-V357 HydrophobicContact CD1-CG1 3.84Å; I350-V357 HydrophobicContact CG1-CG1 3.91Å; I350-Y358 VanDerWaalsContact CA-O 3.31Å; I350-Y358 WeakPolarHBondContact CA-O 3.33Å; I350-L359 HydrophobicContact CB-CD2 4.08Å; I350-L359 HydrophobicContact CD1-CD2 3.85Å; I350-L359 HydrophobicContact CG1-CD2 3.9Å; I350-A593 HydrophobicContact CB-CB 4.05Å; I350-A593 HydrophobicContact CD1-CB 3.97Å; I350-A593 HydrophobicContact CG2-CB 4.29Å; I350-A594 WeakPolarHBondContact CG2-O 3.19Å; I350-C595 HydrophobicContact CD1-CB 3.72Å; I350-C595 HydrophobicContact CG1-CB 4.17Å
351	A	96.9	Very high	91.6	Very high	7 Å²	7	25.5 Å²	25.5	6%	0.058	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	151.8	175.1	0	0	0	0	0	110.2	V357 Y358 V400 V402 I407	A351-V357 CarbonylContact O-C 3.56Å; A351-V357 WeakPolarHBondContact O-CA 3.46Å; A351-Y358 PolarHBondContact N-O 2.98Å; A351-Y358 PolarHBondContact O-N 3.26Å; A351-V400 HydrophobicContact CB-CG1 3.67Å; A351-V402 HydrophobicContact CB-CG2 3.38Å; A351-I407 HydrophobicContact CB-CD1 4.5Å; A351-I407 HydrophobicContact CB-CG2 4Å
352	V	97.8	Very high	92.4	Very high	52 Å²	52	19.3 Å²	19.3	32%	0.315	10%	0.099	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	122.4	168.3	-176.8	0	0	0	0	108	F356 V357 C595	V352-F356 WeakPolarHBondContact CA-O 3.32Å; V352-V357 HydrophobicContact CG2-CG2 4.29Å; V352-C595 HydrophobicContact CG2-CB 3.51Å
353	L	97.4	Very high	93	Very high	10 Å²	10	18.7 Å²	18.7	5%	0.052	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	117.7	175.2	173.8	64.5	0	0	0	108.3	N355 F356 Y358 V402 G405 I407 P427	L353-N355 VanDerWaalsContact C-N 3.28Å; L353-N355 PolarHBondContact O-N 2.8Å; L353-F356 PolarHBondContact N-O 3.32Å; L353-F356 PolarHBondContact O-N 2.86Å; L353-Y358 HydrophobicContact CB-CD2 4.35Å; L353-Y358 HydrophobicContact CB-CE2 3.83Å; L353-V402 HydrophobicContact CB-CG1 4.2Å; L353-V402 HydrophobicContact CD1-CG1 3.76Å; L353-V402 HydrophobicContact CG-CG1 4.45Å; L353-G405 WeakPolarHBondContact CD2-O 3.35Å; L353-I407 HydrophobicContact CD2-CG1 4.34Å; L353-P427 HydrophobicContact CD2-CB 4.4Å; L353-P427 HydrophobicContact CD2-CG 3.87Å
354	N	95.8	Very high	93.4	Very high	79 Å²	79	21.8 Å²	21.8	42%	0.422	10%	0.103	S	C	.	.	T	Hydrogen-bonded Turn	trans	54	42.8	174.8	-66.7	-17.4	0	0	0	113.6	P289 Q292 F356	P289-N354 WeakPolarHBondContact O-CB 3.49Å; P289-N354 PolarHBondContact O-ND2 2.86Å; Q292-N354 HydrophobicContact CB-CB 4.43Å; Q292-N354 HydrophobicContact CG-CB 3.7Å; N354-F356 VanDerWaalsContact C-N 3.26Å; N354-F356 VanDerWaalsContact O-CD2 3.27Å; N354-F356 WeakPolarHBondContact O-CD2 3.5Å; N354-F356 PolarHBondContact O-N 2.83Å
355	N	96.5	Very high	93.1	Very high	22 Å²	22	18.4 Å²	18.4	12%	0.118	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.1	10.2	-176.4	-159.3	44.2	0	0	0	115.9	L353 P380 T597 L598	L353-N355 VanDerWaalsContact C-N 3.28Å; L353-N355 PolarHBondContact O-N 2.8Å; N355-P380 WeakPolarHBondContact ND2-CG 3.46Å; N355-P380 WeakPolarHBondContact O-CD 3.41Å; N355-P380 WeakPolarHBondContact O-CG 3.49Å; N355-T597 PolarHBondContact O-OG1 2.96Å; N355-T597 PolarHBondContact OD1-OG1 3.47Å; N355-L598 PolarHBondContact ND2-O 3.4Å; N355-L598 WeakPolarHBondContact OD1-CB 3.21Å; N355-L598 PolarHBondContact OD1-N 3.45Å; N355-L598 PolarHBondContact OD1-O 2.54Å
356	F	97.4	Very high	92	Very high	3 Å²	3	23.2 Å²	23.2	1%	0.013	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	138.8	167.9	-62.9	-92.8	0	0	0	109.7	Q288 P289 Q292 V352 L353 N354 Y358 R377 D379	Q288-F356 HydrophobicContact CB-CZ 3.97Å; P289-F356 HydrophobicContact CB-CD2 3.81Å; P289-F356 HydrophobicContact CB-CE2 4.14Å; P289-F356 HydrophobicContact CB-CG 4.46Å; P289-F356 HydrophobicContact CG-CB 4.5Å; P289-F356 HydrophobicContact CG-CD1 4.47Å; P289-F356 HydrophobicContact CG-CD2 3.7Å; P289-F356 HydrophobicContact CG-CE2 3.96Å; P289-F356 HydrophobicContact CG-CG 3.97Å; P289-F356 HydrophobicContact CG-CZ 4.44Å; Q292-F356 HydrophobicContact CG-CE2 4.43Å; V352-F356 WeakPolarHBondContact CA-O 3.32Å; L353-F356 PolarHBondContact N-O 3.32Å; L353-F356 PolarHBondContact O-N 2.86Å; N354-F356 VanDerWaalsContact C-N 3.26Å; N354-F356 VanDerWaalsContact O-CD2 3.27Å; N354-F356 WeakPolarHBondContact O-CD2 3.5Å; N354-F356 PolarHBondContact O-N 2.83Å; F356-Y358 HydrophobicContact CB-CD2 4.49Å; F356-Y358 HydrophobicContact CB-CE2 3.76Å; F356-Y358 WeakPolarHBondContact O-CD2 3.27Å; F356-R377 HydrophobicContact CB-CG 3.96Å; F356-R377 HydrophobicContact CD1-CG 4.3Å; F356-R377 HydrophobicContact CG-CG 4.5Å; F356-D379 HydrophobicContact CD1-CB 4.12Å; F356-D379 HydrophobicContact CE1-CB 3.99Å
357	V	97.9	Very high	90.5	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	135.3	177.1	-175.2	0	0	0	0	109.1	F308 I350 A351 V352 R377 Y378	F308-V357 HydrophobicContact CD2-CG1 4.39Å; F308-V357 HydrophobicContact CE2-CB 4.47Å; F308-V357 HydrophobicContact CE2-CG1 3.82Å; F308-V357 HydrophobicContact CE2-CG2 4.45Å; F308-V357 HydrophobicContact CZ-CG1 4.46Å; I350-V357 HydrophobicContact CD1-CG1 3.84Å; I350-V357 HydrophobicContact CG1-CG1 3.91Å; A351-V357 CarbonylContact O-C 3.56Å; A351-V357 WeakPolarHBondContact O-CA 3.46Å; V352-V357 HydrophobicContact CG2-CG2 4.29Å; V357-R377 CarbonylContact O-C 3.52Å; V357-R377 VanDerWaalsContact O-CA 3.28Å; V357-R377 WeakPolarHBondContact O-CA 3.37Å; V357-Y378 HydrophobicContact CB-CD1 4.37Å; V357-Y378 HydrophobicContact CG2-CD1 4.21Å; V357-Y378 PolarHBondContact N-O 3.45Å; V357-Y378 VanDerWaalsContact N-O 3.13Å; V357-Y378 PolarHBondContact O-N 2.86Å
358	Y	97.8	Very high	89.3	Confident	1 Å²	1	27.3 Å²	27.3	0%	0.004	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	128.3	179.2	-68.3	-101.5	0	0	0	109.4	P289 I350 A351 L353 F356 W376 R377 I388 I407 Y425	P289-Y358 WeakPolarHBondContact CB-OH 3.19Å; P289-Y358 WeakPolarHBondContact CG-OH 3.12Å; I350-Y358 VanDerWaalsContact CA-O 3.31Å; I350-Y358 WeakPolarHBondContact CA-O 3.33Å; A351-Y358 PolarHBondContact N-O 2.98Å; A351-Y358 PolarHBondContact O-N 3.26Å; L353-Y358 HydrophobicContact CB-CD2 4.35Å; L353-Y358 HydrophobicContact CB-CE2 3.83Å; F356-Y358 HydrophobicContact CB-CD2 4.49Å; F356-Y358 HydrophobicContact CB-CE2 3.76Å; F356-Y358 WeakPolarHBondContact O-CD2 3.27Å; Y358-W376 CarbonylContact C-O 3.58Å; Y358-W376 WeakPolarHBondContact CA-O 3.47Å; Y358-R377 HydrophobicContact CD1-CB 4.12Å; Y358-R377 HydrophobicContact CD1-CG 4.17Å; Y358-R377 HydrophobicContact CE1-CB 4.02Å; Y358-R377 HydrophobicContact CE1-CG 3.81Å; Y358-R377 HydrophobicContact CE2-CG 4.15Å; Y358-I388 HydrophobicContact CD1-CD1 3.81Å; Y358-I388 HydrophobicContact CE1-CD1 4.08Å; Y358-I407 HydrophobicContact CD1-CD1 3.42Å; Y358-I407 VanDerWaalsContact CD1-CD1 3.42Å; Y358-I407 HydrophobicContact CD2-CD1 3.59Å; Y358-I407 HydrophobicContact CE1-CD1 3.68Å; Y358-I407 HydrophobicContact CE2-CD1 3.86Å; Y358-I407 HydrophobicContact CG-CD1 3.35Å; Y358-Y425 HydrophobicContact CE1-CE1 4.03Å
359	L	96.8	Very high	88.3	Confident	1 Å²	1	33.1 Å²	33.1	1%	0.005	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	116.1	171.1	-66.3	-179	0	0	0	108.8	F308 P343 Q348 G349 I350 C375 W376 W385 A593	F308-L359 HydrophobicContact CB-CD1 3.91Å; F308-L359 HydrophobicContact CB-CD2 4.34Å; F308-L359 HydrophobicContact CG-CD1 4.2Å; P343-L359 HydrophobicContact CG-CD1 3.67Å; Q348-L359 HydrophobicContact CB-CD2 4.32Å; G349-L359 WeakPolarHBondContact O-CA 3.32Å; I350-L359 HydrophobicContact CB-CD2 4.08Å; I350-L359 HydrophobicContact CD1-CD2 3.85Å; I350-L359 HydrophobicContact CG1-CD2 3.9Å; L359-C375 CarbonylContact O-C 3.3Å; L359-C375 WeakPolarHBondContact O-CA 3.42Å; L359-W376 HydrophobicContact CB-CB 4.45Å; L359-W376 PolarHBondContact N-O 3.42Å; L359-W376 PolarHBondContact O-N 3.02Å; L359-W385 HydrophobicContact CB-CH2 4.47Å; L359-W385 HydrophobicContact CB-CZ3 4.3Å; L359-W385 HydrophobicContact CD1-CH2 3.2Å; L359-W385 HydrophobicContact CD1-CZ2 3.93Å; L359-W385 HydrophobicContact CD1-CZ3 3.77Å; L359-W385 HydrophobicContact CG-CH2 3.61Å; L359-W385 HydrophobicContact CG-CZ3 3.89Å; L359-A593 HydrophobicContact CD2-CB 3.89Å
360	I	97.2	Very high	87.9	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	121.5	-168.2	-52.8	-54.3	0	0	0	108	G349 C375 I388 L391 H398 V400 A409 W432	G349-I360 PolarHBondContact N-O 2.8Å; G349-I360 PolarHBondContact O-N 3.05Å; I360-C375 HydrophobicContact CD1-CB 3.72Å; I360-I388 HydrophobicContact CD1-CD1 4.03Å; I360-L391 HydrophobicContact CG2-CD1 3.89Å; I360-L391 HydrophobicContact CG2-CD2 3.98Å; I360-L391 HydrophobicContact CG2-CG 4.03Å; I360-H398 PolarHBondContact O-CE1 3.48Å; I360-H398 PolarHBondContact O-NE2 3.27Å; I360-V400 HydrophobicContact CB-CG2 4Å; I360-V400 HydrophobicContact CG1-CG1 4.23Å; I360-V400 HydrophobicContact CG1-CG2 4.43Å; I360-V400 HydrophobicContact CG2-CG2 4.21Å; I360-A409 HydrophobicContact CG2-CB 4.16Å; I360-W432 HydrophobicContact CD1-CH2 4.24Å; I360-W432 HydrophobicContact CD1-CZ2 3.94Å; I360-W432 HydrophobicContact CG1-CH2 4.32Å; I360-W432 HydrophobicContact CG1-CZ2 4.47Å; I360-W432 HydrophobicContact CG2-CH2 3.71Å; I360-W432 HydrophobicContact CG2-CZ2 3.94Å
361	G	94.8	Very high	87.6	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	52.4	-152.3	179.5	0	0	0	0	0	113.8	M345 E372 R374	M345-G361 VanDerWaalsContact CE-C 3.43Å; M345-G361 WeakPolarHBondContact CE-O 3.31Å; G361-E372 VanDerWaalsContact CA-O 3.26Å; G361-E372 WeakPolarHBondContact CA-O 3.5Å; G361-R374 PolarHBondContact N-O 2.9Å
362	G	92.6	Very high	87.4	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	112.3	-166.7	-180	0	0	0	0	0	113.5	N347 E372 H395	N347-G362 WeakPolarHBondContact O-CA 3.41Å; G362-E372 WeakPolarHBondContact O-CB 3.13Å; G362-E372 PolarHBondContact O-N 3.04Å; G362-H395 PolarHBondContact N-O 3.48Å
363	D	88.8	Confident	87.2	Confident	1 Å²	1	38.9 Å²	38.9	1%	0.005	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	122.8	-175.5	-70.2	-45.1	0	0	0	112.7	M345 S346 N347 N365 A396 Y415	M345-D363 VanDerWaalsContact CA-O 3.28Å; M345-D363 WeakPolarHBondContact CA-O 3.31Å; M345-D363 WeakPolarHBondContact CB-O 3.42Å; S346-D363 PolarHBondContact N-O 3.48Å; S346-D363 VanDerWaalsContact N-O 3.14Å; S346-D363 PolarHBondContact O-N 3.47Å; N347-D363 WeakPolarHBondContact CB-OD2 3.47Å; N347-D363 PolarHBondContact ND2-OD2 2.98Å; D363-N365 WeakPolarHBondContact CB-OD1 3.4Å; D363-N365 PolarHBondContact O-N 3.02Å; D363-N365 VanDerWaalsContact O-N 3.14Å; D363-A396 WeakPolarHBondContact OD1-CB 3.42Å; D363-Y415 VanDerWaalsContact CG-OH 3.27Å; D363-Y415 VanDerWaalsContact OD1-CE2 3.3Å; D363-Y415 WeakPolarHBondContact OD1-CE2 3.37Å; D363-Y415 VanDerWaalsContact OD1-CZ 3.31Å; D363-Y415 PolarHBondContact OD1-OH 3.44Å
364	R	82.9	Confident	87.1	Confident	81 Å²	81	43 Å²	43	31%	0.306	22%	0.217	S	C	.	.			trans	-83.7	81.5	173	-167.9	-165.3	-72.9	-160.2	1.6	111.5	N366 R370 E372 R374	R364-N366 WeakPolarHBondContact CD-OD1 3.09Å; R364-N366 VanDerWaalsContact CG-OD1 3.32Å; R364-N366 WeakPolarHBondContact CG-OD1 3.48Å; R364-N366 PolarHBondContact O-N 3.46Å; R364-N366 VanDerWaalsContact O-N 3.07Å; R364-R370 PolarHBondContact N-O 2.77Å; R364-E372 IonicContact CZ-OE2 2.75Å; R364-E372 IonicContact NE-OE2 2.69Å; R364-E372 PolarHBondContact NE-OE2 2.89Å; R364-E372 IonicContact NH2-OE1 2.76Å; R364-E372 PolarHBondContact NH2-OE1 3.04Å; R364-E372 IonicContact NH2-OE2 3.72Å; R364-E372 PolarHBondContact NH2-OE2 2.71Å; R364-R374 VanDerWaalsContact NH2-NH2 3.11Å
365	N	70.9	Confident	87.1	Confident	51 Å²	51	39.4 Å²	39.4	27%	0.273	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	1.2	-172.4	-59.8	-36.5	0	0	0	116.9	M311 S346 D363 S367	M311-N365 WeakPolarHBondContact CG-ND2 3.38Å; S346-N365 WeakPolarHBondContact CB-ND2 3.39Å; S346-N365 PolarHBondContact N-ND2 3.03Å; S346-N365 PolarHBondContact OG-ND2 2.97Å; D363-N365 WeakPolarHBondContact CB-OD1 3.4Å; D363-N365 PolarHBondContact O-N 3.02Å; D363-N365 VanDerWaalsContact O-N 3.14Å; N365-S367 VanDerWaalsContact C-N 3.33Å
366	N	63.8	Low	87	Confident	106 Å²	106	40 Å²	40	57%	0.567	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.7	-12.4	-179.3	68.4	5.8	0	0	0	113.7	R364	R364-N366 WeakPolarHBondContact CD-OD1 3.09Å; R364-N366 VanDerWaalsContact CG-OD1 3.32Å; R364-N366 WeakPolarHBondContact CG-OD1 3.48Å; R364-N366 PolarHBondContact O-N 3.46Å; R364-N366 VanDerWaalsContact O-N 3.07Å
367	S	57.3	Low	87	Confident	67 Å²	67	40 Å²	40	47%	0.469	20%	0.198	S	C	.	.	S	Bend	trans	-147.2	24.2	-173.6	49.2	0	0	0	0	113.6	N365	N365-S367 VanDerWaalsContact C-N 3.33Å
368	G	66.2	Low	86.9	Confident	41 Å²	41	40 Å²	40	42%	0.423	20%	0.198	S	C	.	.	S	Bend	trans	106.9	170.2	-177.6	0	0	0	0	0	113.3	R370	G368-R370 PolarHBondContact O-N 3.23Å; G368-R370 VanDerWaalsContact O-N 3.08Å
369	F	73.3	Confident	86.8	Confident	134 Å²	134	40.2 Å²	40.2	59%	0.588	20%	0.199	S	C	*	.	S	Bend	trans	-69.9	104.6	178.7	-63.4	-73.4	0	0	0	110.5	M311 Y415	M311-F369 HydrophobicContact SD-CE1 4.36Å; F369-Y415 HydrophobicContact CB-CD1 4.39Å; F369-Y415 HydrophobicContact CB-CE1 3.7Å; F369-Y415 HydrophobicContact CB-CE2 4.48Å
370	R	86.6	Confident	86.7	Confident	161 Å²	161	40.2 Å²	40.2	61%	0.608	20%	0.199	S	C	*	.			trans	-139.1	133.9	177.7	-66.8	-174.6	-179.5	-169.8	1.3	109.6	R364 G368	R364-R370 PolarHBondContact N-O 2.77Å; G368-R370 PolarHBondContact O-N 3.23Å; G368-R370 VanDerWaalsContact O-N 3.08Å
371	A	91.7	Very high	86.4	Confident	9 Å²	9	41.3 Å²	41.3	7%	0.074	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	149.4	171.2	0	0	0	0	0	110.5	Q394 A396 Y415	A371-Q394 HydrophobicContact CB-CB 4.06Å; A371-Q394 HydrophobicContact CB-CG 3.92Å; A371-A396 HydrophobicContact CB-CB 3.82Å; A371-Y415 HydrophobicContact CB-CD2 4.03Å; A371-Y415 HydrophobicContact CB-CE2 4.26Å
372	E	91.8	Very high	86.2	Confident	11 Å²	11	46 Å²	46	5%	0.051	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	146.9	-175.6	-176.9	70.2	-115.5	0	0	110.5	M345 G361 G362 R364 R374 H395	M345-E372 HydrophobicContact CE-CB 3.33Å; M345-E372 HydrophobicContact CE-CG 3.46Å; M345-E372 VanDerWaalsContact CE-CG 3.46Å; M345-E372 HydrophobicContact SD-CB 4.41Å; M345-E372 HydrophobicContact SD-CG 3.94Å; G361-E372 VanDerWaalsContact CA-O 3.26Å; G361-E372 WeakPolarHBondContact CA-O 3.5Å; G362-E372 WeakPolarHBondContact O-CB 3.13Å; G362-E372 PolarHBondContact O-N 3.04Å; R364-E372 IonicContact CZ-OE2 2.75Å; R364-E372 IonicContact NE-OE2 2.69Å; R364-E372 PolarHBondContact NE-OE2 2.89Å; R364-E372 IonicContact NH2-OE1 2.76Å; R364-E372 PolarHBondContact NH2-OE1 3.04Å; R364-E372 IonicContact NH2-OE2 3.72Å; R364-E372 PolarHBondContact NH2-OE2 2.71Å; E372-R374 HydrophobicContact CG-CB 3.97Å; E372-R374 WeakPolarHBondContact OE1-CG 3.35Å; E372-R374 IonicContact OE1-CZ 2.67Å; E372-R374 IonicContact OE1-NE 2.75Å; E372-R374 PolarHBondContact OE1-NE 2.85Å; E372-R374 IonicContact OE1-NH2 3.11Å; E372-R374 IonicContact OE2-CZ 2.85Å; E372-R374 IonicContact OE2-NE 3.07Å; E372-R374 PolarHBondContact OE2-NE 2.92Å; E372-R374 IonicContact OE2-NH2 2.72Å; E372-R374 PolarHBondContact OE2-NH2 2.88Å; E372-H395 PolarHBondContact O-N 2.86Å; E372-H395 VanDerWaalsContact O-N 3.13Å
373	S	94.3	Very high	86.2	Confident	38 Å²	38	46.7 Å²	46.7	27%	0.266	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	-17.9	173.2	58.6	0	0	0	0	113.7	C375 P390 L391	S373-C375 PolarHBondContact O-SG 2.89Å; S373-P390 CarbonylContact O-C 3.57Å; S373-P390 VanDerWaalsContact O-CA 3.29Å; S373-P390 WeakPolarHBondContact O-CA 2.94Å; S373-P390 WeakPolarHBondContact O-CB 3.39Å; S373-L391 PolarHBondContact O-N 2.9Å
374	R	94.3	Very high	86.4	Confident	98 Å²	98	48.6 Å²	48.6	37%	0.37	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.3	141.1	179	-71.7	-180	-67	159.3	10.9	111.8	G361 R364 E372	G361-R374 PolarHBondContact N-O 2.9Å; R364-R374 VanDerWaalsContact NH2-NH2 3.11Å; E372-R374 HydrophobicContact CG-CB 3.97Å; E372-R374 WeakPolarHBondContact OE1-CG 3.35Å; E372-R374 IonicContact OE1-CZ 2.67Å; E372-R374 IonicContact OE1-NE 2.75Å; E372-R374 PolarHBondContact OE1-NE 2.85Å; E372-R374 IonicContact OE1-NH2 3.11Å; E372-R374 IonicContact OE2-CZ 2.85Å; E372-R374 IonicContact OE2-NE 3.07Å; E372-R374 PolarHBondContact OE2-NE 2.92Å; E372-R374 IonicContact OE2-NH2 2.72Å; E372-R374 PolarHBondContact OE2-NH2 2.88Å
375	C	95.8	Very high	86.9	Confident	2 Å²	2	45.6 Å²	45.6	1%	0.014	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	140.3	-177.5	-65.3	0	0	0	0	109.3	L359 I360 S373 I388	L359-C375 CarbonylContact O-C 3.3Å; L359-C375 WeakPolarHBondContact O-CA 3.42Å; I360-C375 HydrophobicContact CD1-CB 3.72Å; S373-C375 PolarHBondContact O-SG 2.89Å; C375-I388 HydrophobicContact CB-CD1 3.81Å; C375-I388 HydrophobicContact CB-CG1 3.42Å; C375-I388 VanDerWaalsContact CB-CG1 3.42Å; C375-I388 PolarHBondContact O-N 2.79Å
376	W	95.5	Very high	88	Confident	36 Å²	36	44.1 Å²	44.1	14%	0.136	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	146.8	-173.6	-57.7	89.3	0	0	0	110.3	P343 Y358 L359 W385 C386 S387	P343-W376 HydrophobicContact CB-CG 4.3Å; P343-W376 HydrophobicContact CG-CB 4.4Å; P343-W376 HydrophobicContact CG-CG 3.99Å; Y358-W376 CarbonylContact C-O 3.58Å; Y358-W376 WeakPolarHBondContact CA-O 3.47Å; L359-W376 HydrophobicContact CB-CB 4.45Å; L359-W376 PolarHBondContact N-O 3.42Å; L359-W376 PolarHBondContact O-N 3.02Å; W376-W385 HydrophobicContact CB-CE3 3.62Å; W376-W385 HydrophobicContact CB-CZ3 3.83Å; W376-C386 WeakPolarHBondContact CA-O 3.42Å; W376-S387 WeakPolarHBondContact CH2-OG 3.41Å; W376-S387 WeakPolarHBondContact CZ3-OG 3.3Å
377	R	96.6	Very high	89.4	Confident	2 Å²	2	42.6 Å²	42.6	1%	0.008	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	130.6	171	-175.9	-166.5	67.7	176.2	5.3	109.5	E285 L286 F356 V357 Y358 W385 C386 I388	E285-R377 VanDerWaalsContact O-CZ 3.26Å; E285-R377 PolarHBondContact O-NH1 3Å; E285-R377 PolarHBondContact O-NH2 2.91Å; E285-R377 IonicContact OE1-NH2 2.67Å; L286-R377 PolarHBondContact O-NH1 3.01Å; F356-R377 HydrophobicContact CB-CG 3.96Å; F356-R377 HydrophobicContact CD1-CG 4.3Å; F356-R377 HydrophobicContact CG-CG 4.5Å; V357-R377 CarbonylContact O-C 3.52Å; V357-R377 VanDerWaalsContact O-CA 3.28Å; V357-R377 WeakPolarHBondContact O-CA 3.37Å; Y358-R377 HydrophobicContact CD1-CB 4.12Å; Y358-R377 HydrophobicContact CD1-CG 4.17Å; Y358-R377 HydrophobicContact CE1-CB 4.02Å; Y358-R377 HydrophobicContact CE1-CG 3.81Å; Y358-R377 HydrophobicContact CE2-CG 4.15Å; R377-W385 VanDerWaalsContact C-CE3 3.46Å; R377-W385 WeakPolarHBondContact O-CA 3.45Å; R377-C386 PolarHBondContact N-O 2.88Å; R377-C386 PolarHBondContact NE-SG 3.43Å; R377-C386 VanDerWaalsContact NE-SG 3.38Å; R377-C386 PolarHBondContact NH2-SG 2.91Å; R377-C386 VanDerWaalsContact NH2-SG 3.38Å; R377-C386 PolarHBondContact O-N 3.17Å; R377-I388 HydrophobicContact CB-CG2 3.86Å
378	Y	96.3	Very high	91.2	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	134.2	173.5	175.8	-108.7	0	0	0	110.6	L306 F308 F324 A339 V357 P380 N383 S384 W385 M599	L306-Y378 HydrophobicContact CD1-CE1 4.11Å; F308-Y378 HydrophobicContact CZ-CD1 4.17Å; F308-Y378 HydrophobicContact CZ-CE1 4.44Å; F324-Y378 HydrophobicContact CE1-CE2 4.28Å; F324-Y378 HydrophobicContact CZ-CE1 4.44Å; F324-Y378 HydrophobicContact CZ-CE2 4.28Å; F324-Y378 AromaticContact CZ-CZ 3.8Å; F324-Y378 WeakPolarHBondContact CZ-OH 3.2Å; A339-Y378 HydrophobicContact CB-CE2 4.12Å; V357-Y378 HydrophobicContact CB-CD1 4.37Å; V357-Y378 HydrophobicContact CG2-CD1 4.21Å; V357-Y378 PolarHBondContact N-O 3.45Å; V357-Y378 VanDerWaalsContact N-O 3.13Å; V357-Y378 PolarHBondContact O-N 2.86Å; Y378-P380 HydrophobicContact CD1-CB 4.5Å; Y378-P380 HydrophobicContact CE1-CB 3.91Å; Y378-N383 WeakPolarHBondContact CE2-OD1 3.46Å; Y378-N383 PolarHBondContact OH-OD1 2.88Å; Y378-S384 WeakPolarHBondContact CA-O 3.48Å; Y378-S384 VanDerWaalsContact CD2-O 3.3Å; Y378-S384 WeakPolarHBondContact CD2-O 3.34Å; Y378-W385 VanDerWaalsContact CB-CH2 3.45Å; Y378-W385 VanDerWaalsContact CB-CZ3 3.42Å; Y378-W385 HydrophobicContact CD2-CD2 4Å; Y378-W385 AromaticContact CD2-CE2 3.63Å; Y378-W385 HydrophobicContact CD2-CG 4.25Å; Y378-W385 AromaticContact CD2-CZ2 4Å; Y378-W385 HydrophobicContact CD2-CZ2 4Å; Y378-W385 AromaticContact CD2-NE1 3.61Å; Y378-W385 HydrophobicContact CG-CD2 4.36Å; Y378-W385 HydrophobicContact CG-CH2 4.25Å; Y378-W385 AromaticContact CG-CZ2 4Å; Y378-W385 HydrophobicContact CG-CZ2 4Å; Y378-M599 HydrophobicContact CE1-SD 4.49Å
379	D	95.3	Very high	92.7	Very high	5 Å²	5	42.2 Å²	42.2	3%	0.027	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	109.2	172.1	-171.1	-15.6	0	0	0	110	F356 R381 Y382 N383 S384	F356-D379 HydrophobicContact CD1-CB 4.12Å; F356-D379 HydrophobicContact CE1-CB 3.99Å; D379-R381 PolarHBondContact O-N 2.83Å; D379-R381 VanDerWaalsContact O-N 3.16Å; D379-R381 WeakPolarHBondContact OD1-CB 3.27Å; D379-R381 VanDerWaalsContact OD1-CG 3.32Å; D379-R381 WeakPolarHBondContact OD1-CG 3.38Å; D379-R381 IonicContact OD1-CZ 3.02Å; D379-R381 PolarHBondContact OD1-N 2.84Å; D379-R381 IonicContact OD1-NE 3.13Å; D379-R381 PolarHBondContact OD1-NE 2.74Å; D379-R381 IonicContact OD1-NH2 3.42Å; D379-R381 IonicContact OD2-CZ 3.47Å; D379-R381 IonicContact OD2-NE 3.29Å; D379-R381 PolarHBondContact OD2-NE 3.11Å; D379-R381 IonicContact OD2-NH2 2.66Å; D379-R381 PolarHBondContact OD2-NH2 2.86Å; D379-Y382 PolarHBondContact O-N 2.88Å; D379-Y382 WeakPolarHBondContact OD2-CD2 3.26Å; D379-N383 PolarHBondContact O-N 3.17Å; D379-S384 PolarHBondContact N-O 3.18Å; D379-S384 PolarHBondContact O-N 2.79Å
380	P	94.9	Very high	93.9	Very high	1 Å²	1	38.4 Å²	38.4	1%	0.006	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-16.1	-179.9	28.5	-35.6	0	0	0	113	N355 Y378 T597 M599 P600	N355-P380 WeakPolarHBondContact ND2-CG 3.46Å; N355-P380 WeakPolarHBondContact O-CD 3.41Å; N355-P380 WeakPolarHBondContact O-CG 3.49Å; Y378-P380 HydrophobicContact CD1-CB 4.5Å; Y378-P380 HydrophobicContact CE1-CB 3.91Å; P380-T597 HydrophobicContact CB-CG2 4.1Å; P380-T597 HydrophobicContact CG-CG2 4.49Å; P380-M599 HydrophobicContact CB-SD 3.47Å; P380-M599 WeakPolarHBondContact CB-SD 3.36Å; P380-P600 WeakPolarHBondContact O-CD 3.48Å; P380-P600 WeakPolarHBondContact O-CG 3.23Å
381	R	91.9	Very high	94.4	Very high	23 Å²	23	31 Å²	31	9%	0.087	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-36.4	-177.5	-58.7	172.1	-64.1	157.6	8.9	112.1	Y281 T296 P298 D379	Y281-R381 PolarHBondContact OH-NH1 2.97Å; Y281-R381 PolarHBondContact OH-NH2 3.06Å; T296-R381 PolarHBondContact O-NH1 3.39Å; P298-R381 HydrophobicContact CB-CG 4.18Å; P298-R381 HydrophobicContact CG-CG 3.98Å; D379-R381 PolarHBondContact O-N 2.83Å; D379-R381 VanDerWaalsContact O-N 3.16Å; D379-R381 WeakPolarHBondContact OD1-CB 3.27Å; D379-R381 VanDerWaalsContact OD1-CG 3.32Å; D379-R381 WeakPolarHBondContact OD1-CG 3.38Å; D379-R381 IonicContact OD1-CZ 3.02Å; D379-R381 PolarHBondContact OD1-N 2.84Å; D379-R381 IonicContact OD1-NE 3.13Å; D379-R381 PolarHBondContact OD1-NE 2.74Å; D379-R381 IonicContact OD1-NH2 3.42Å; D379-R381 IonicContact OD2-CZ 3.47Å; D379-R381 IonicContact OD2-NE 3.29Å; D379-R381 PolarHBondContact OD2-NE 3.11Å; D379-R381 IonicContact OD2-NH2 2.66Å; D379-R381 PolarHBondContact OD2-NH2 2.86Å
382	Y	89.5	Confident	94.6	Very high	98 Å²	98	35.4 Å²	35.4	38%	0.384	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-117.5	2.4	-176.3	-52.5	-64.2	0	0	0	113.1	D379 S384	D379-Y382 PolarHBondContact O-N 2.88Å; D379-Y382 WeakPolarHBondContact OD2-CD2 3.26Å; Y382-S384 VanDerWaalsContact C-N 3.3Å; Y382-S384 PolarHBondContact O-N 2.88Å
383	N	93.2	Very high	94.6	Very high	16 Å²	16	38.2 Å²	38.2	9%	0.086	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.5	45.9	-177.7	-170.8	33.3	0	0	0	112.6	K338 A339 Y378 D379 V603	K338-N383 PolarHBondContact O-ND2 3.28Å; A339-N383 WeakPolarHBondContact CB-O 3.39Å; Y378-N383 WeakPolarHBondContact CE2-OD1 3.46Å; Y378-N383 PolarHBondContact OH-OD1 2.88Å; D379-N383 PolarHBondContact O-N 3.17Å; N383-V603 HydrophobicContact CB-CG1 3.82Å; N383-V603 HydrophobicContact CB-CG2 4.31Å
384	S	92.5	Very high	94.4	Very high	40 Å²	40	40.1 Å²	40.1	28%	0.28	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	152.5	-172.5	62.2	0	0	0	0	112.5	Y378 D379 Y382	Y378-S384 WeakPolarHBondContact CA-O 3.48Å; Y378-S384 VanDerWaalsContact CD2-O 3.3Å; Y378-S384 WeakPolarHBondContact CD2-O 3.34Å; D379-S384 PolarHBondContact N-O 3.18Å; D379-S384 PolarHBondContact O-N 2.79Å; Y382-S384 VanDerWaalsContact C-N 3.3Å; Y382-S384 PolarHBondContact O-N 2.88Å
385	W	93.6	Very high	94.2	Very high	19 Å²	19	35.4 Å²	35.4	7%	0.072	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	142.8	174.3	-70.1	93.5	0	0	0	110.8	F308 L359 W376 R377 Y378	F308-W385 HydrophobicContact CD1-CH2 4.15Å; F308-W385 AromaticContact CD1-CZ2 3.6Å; F308-W385 HydrophobicContact CD1-CZ2 3.6Å; F308-W385 HydrophobicContact CE1-CH2 4.1Å; F308-W385 AromaticContact CE1-CZ2 3.48Å; F308-W385 HydrophobicContact CE1-CZ2 3.48Å; F308-W385 VanDerWaalsContact CE1-CZ2 3.48Å; F308-W385 HydrophobicContact CG-CZ2 4.4Å; F308-W385 HydrophobicContact CZ-CH2 4.43Å; F308-W385 HydrophobicContact CZ-CZ2 4.18Å; L359-W385 HydrophobicContact CB-CH2 4.47Å; L359-W385 HydrophobicContact CB-CZ3 4.3Å; L359-W385 HydrophobicContact CD1-CH2 3.2Å; L359-W385 HydrophobicContact CD1-CZ2 3.93Å; L359-W385 HydrophobicContact CD1-CZ3 3.77Å; L359-W385 HydrophobicContact CG-CH2 3.61Å; L359-W385 HydrophobicContact CG-CZ3 3.89Å; W376-W385 HydrophobicContact CB-CE3 3.62Å; W376-W385 HydrophobicContact CB-CZ3 3.83Å; R377-W385 VanDerWaalsContact C-CE3 3.46Å; R377-W385 WeakPolarHBondContact O-CA 3.45Å; Y378-W385 VanDerWaalsContact CB-CH2 3.45Å; Y378-W385 VanDerWaalsContact CB-CZ3 3.42Å; Y378-W385 HydrophobicContact CD2-CD2 4Å; Y378-W385 AromaticContact CD2-CE2 3.63Å; Y378-W385 HydrophobicContact CD2-CG 4.25Å; Y378-W385 AromaticContact CD2-CZ2 4Å; Y378-W385 HydrophobicContact CD2-CZ2 4Å; Y378-W385 AromaticContact CD2-NE1 3.61Å; Y378-W385 HydrophobicContact CG-CD2 4.36Å; Y378-W385 HydrophobicContact CG-CH2 4.25Å; Y378-W385 AromaticContact CG-CZ2 4Å; Y378-W385 HydrophobicContact CG-CZ2 4Å
386	C	92.8	Very high	94.1	Very high	19 Å²	19	35.3 Å²	35.3	13%	0.128	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	148.5	164.7	73.5	0	0	0	0	110.1	W376 R377	W376-C386 WeakPolarHBondContact CA-O 3.42Å; R377-C386 PolarHBondContact N-O 2.88Å; R377-C386 PolarHBondContact NE-SG 3.43Å; R377-C386 VanDerWaalsContact NE-SG 3.38Å; R377-C386 PolarHBondContact NH2-SG 2.91Å; R377-C386 VanDerWaalsContact NH2-SG 3.38Å; R377-C386 PolarHBondContact O-N 3.17Å
387	S	94.1	Very high	94	Very high	74 Å²	74	34 Å²	34	52%	0.517	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	141.3	169.9	-56.5	0	0	0	0	109.9	W376	W376-S387 WeakPolarHBondContact CH2-OG 3.41Å; W376-S387 WeakPolarHBondContact CZ3-OG 3.3Å
388	I	96	Very high	94	Very high	12 Å²	12	34.5 Å²	34.5	6%	0.062	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	179.6	168.5	64.6	166.2	0	0	0	109.1	L286 Y358 I360 C375 R377 Y425	L286-I388 HydrophobicContact CD2-CG2 4.05Å; Y358-I388 HydrophobicContact CD1-CD1 3.81Å; Y358-I388 HydrophobicContact CE1-CD1 4.08Å; I360-I388 HydrophobicContact CD1-CD1 4.03Å; C375-I388 HydrophobicContact CB-CD1 3.81Å; C375-I388 HydrophobicContact CB-CG1 3.42Å; C375-I388 VanDerWaalsContact CB-CG1 3.42Å; C375-I388 PolarHBondContact O-N 2.79Å; R377-I388 HydrophobicContact CB-CG2 3.86Å; I388-Y425 HydrophobicContact CD1-CD1 4.48Å; I388-Y425 HydrophobicContact CD1-CD2 4.49Å; I388-Y425 HydrophobicContact CD1-CE1 3.98Å; I388-Y425 HydrophobicContact CD1-CE2 3.99Å
389	Q	97.5	Very high	94	Very high	88 Å²	88	35 Å²	35	41%	0.411	18%	0.181	S	C	.	.	P	Polyproline II helix	trans	-53.5	128.3	176.6	-170.1	64.7	11.2	0	0	110.5	Y425 N430 W432	Q389-Y425 HydrophobicContact CB-CE2 4.33Å; Q389-N430 WeakPolarHBondContact CB-O 3.49Å; Q389-N430 WeakPolarHBondContact CB-OD1 3.37Å; Q389-N430 PolarHBondContact N-OD1 2.99Å; Q389-W432 PolarHBondContact O-NE1 2.93Å
390	P	97.5	Very high	94.2	Very high	54 Å²	54	35.5 Å²	35.5	35%	0.351	18%	0.184	S	C	.	.	P	Polyproline II helix	trans	-68.3	154.3	175.2	29.1	-34.9	0	0	0	110.4	S373	S373-P390 CarbonylContact O-C 3.57Å; S373-P390 VanDerWaalsContact O-CA 3.29Å; S373-P390 WeakPolarHBondContact O-CA 2.94Å; S373-P390 WeakPolarHBondContact O-CB 3.39Å
391	L	97	Very high	94.4	Very high	7 Å²	7	35.8 Å²	35.8	4%	0.037	19%	0.186	C	C	.	.	P	Polyproline II helix	trans	-53.5	148.9	168.5	-69.2	163.8	0	0	0	110.3	I360 S373 M393 H395 A409 E423 W432	I360-L391 HydrophobicContact CG2-CD1 3.89Å; I360-L391 HydrophobicContact CG2-CD2 3.98Å; I360-L391 HydrophobicContact CG2-CG 4.03Å; S373-L391 PolarHBondContact O-N 2.9Å; L391-M393 WeakPolarHBondContact CB-O 3.3Å; L391-M393 PolarHBondContact O-N 2.82Å; L391-H395 HydrophobicContact CD1-CB 4.08Å; L391-A409 HydrophobicContact CD2-CB 3.78Å; L391-E423 HydrophobicContact CD2-CB 4.27Å; L391-W432 HydrophobicContact CD2-CD2 3.85Å; L391-W432 HydrophobicContact CD2-CE3 3.78Å; L391-W432 HydrophobicContact CD2-CH2 3.79Å; L391-W432 HydrophobicContact CD2-CZ2 3.85Å; L391-W432 HydrophobicContact CD2-CZ3 3.75Å; L391-W432 HydrophobicContact CG-CZ2 4.44Å
392	Q	96.1	Very high	94.7	Very high	100 Å²	100	36.3 Å²	36.3	47%	0.467	19%	0.192	S	C	.	.	S	Bend	trans	-67.9	-31.2	173.9	-65	176.6	81.4	0	0	110.9	E423 W432 F434	Q392-E423 VanDerWaalsContact CB-OE2 3.3Å; Q392-E423 WeakPolarHBondContact CB-OE2 3.2Å; Q392-E423 WeakPolarHBondContact CG-OE2 3.2Å; Q392-E423 PolarHBondContact N-OE1 3.04Å; Q392-E423 PolarHBondContact N-OE2 2.96Å; Q392-E423 PolarHBondContact NE2-OE2 3.11Å; Q392-W432 HydrophobicContact CG-CB 4.4Å; Q392-W432 PolarHBondContact NE2-O 3.43Å; Q392-F434 HydrophobicContact CB-CE2 4.03Å; Q392-F434 HydrophobicContact CB-CZ 3.93Å; Q392-F434 HydrophobicContact CG-CE2 4.42Å
393	M	91.1	Very high	95	Very high	71 Å²	71	32.3 Å²	32.3	35%	0.35	18%	0.177	S	C	.	.	S	Bend	trans	-125.1	151.3	175.3	-63.4	-61.5	-73.8	0	0	111.9	L391 W421 E423 F434	L391-M393 WeakPolarHBondContact CB-O 3.3Å; L391-M393 PolarHBondContact O-N 2.82Å; M393-W421 HydrophobicContact CB-CE3 4.28Å; M393-W421 HydrophobicContact CB-CZ3 4.18Å; M393-W421 HydrophobicContact CE-CH2 4Å; M393-W421 HydrophobicContact CE-CZ3 3.59Å; M393-W421 HydrophobicContact CG-CE3 4.01Å; M393-W421 HydrophobicContact CG-CZ3 3.77Å; M393-W421 HydrophobicContact SD-CZ3 4.45Å; M393-E423 PolarHBondContact N-OE1 3.07Å; M393-F434 HydrophobicContact CG-CZ 4.12Å
394	Q	91.9	Very high	95.2	Very high	77 Å²	77	34.9 Å²	34.9	36%	0.36	21%	0.207	S	C	.	.			trans	-79.6	127.2	-179.1	65.2	-169.2	48.1	0	0	111.2	A371 D414	A371-Q394 HydrophobicContact CB-CB 4.06Å; A371-Q394 HydrophobicContact CB-CG 3.92Å; Q394-D414 HydrophobicContact CG-CB 3.74Å; Q394-D414 PolarHBondContact NE2-O 2.89Å
395	H	89.3	Confident	95.3	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	21%	0.212	C	C	.	.	B	Isolated β-bridge	trans	-122.5	138.1	-175.9	-58.9	162.3	0	0	0	111.6	G362 E372 L391 H398 L419 E423	G362-H395 PolarHBondContact N-O 3.48Å; E372-H395 PolarHBondContact O-N 2.86Å; E372-H395 VanDerWaalsContact O-N 3.13Å; L391-H395 HydrophobicContact CD1-CB 4.08Å; H395-H398 HydrophobicContact CB-CB 4.29Å; H395-L419 WeakPolarHBondContact CD2-CD1 3.43Å; H395-E423 IonicContact CE1-OE1 3.78Å; H395-E423 PolarHBondContact CE1-OE1 3.42Å; H395-E423 IonicContact NE2-OE1 3.79Å
396	A	92.6	Very high	95.5	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	22%	0.218	C	C	.	.	B	Isolated β-bridge	trans	-135.8	156.9	166.3	0	0	0	0	0	110.2	D363 A371 H398 G412 R413 Y415	D363-A396 WeakPolarHBondContact OD1-CB 3.42Å; A371-A396 HydrophobicContact CB-CB 3.82Å; A396-H398 PolarHBondContact O-N 3.42Å; A396-H398 VanDerWaalsContact O-N 3.16Å; A396-G412 CarbonylContact O-C 3.5Å; A396-G412 VanDerWaalsContact O-CA 3.25Å; A396-G412 WeakPolarHBondContact O-CA 3.36Å; A396-R413 PolarHBondContact N-O 3.22Å; A396-R413 PolarHBondContact O-N 3.48Å; A396-Y415 HydrophobicContact CB-CE2 3.75Å
397	D	94.4	Very high	95.8	Very high	8 Å²	8	35 Å²	35	4%	0.043	21%	0.212	C	C	.	.	S	Bend	trans	50	38.1	-177.5	-63	-53.5	0	0	0	113.3	R413 Y443 A444	D397-R413 IonicContact OD2-CZ 3.46Å; D397-R413 IonicContact OD2-NE 3.37Å; D397-R413 PolarHBondContact OD2-NE 3.34Å; D397-R413 IonicContact OD2-NH2 2.89Å; D397-R413 PolarHBondContact OD2-NH2 3.22Å; D397-Y443 HydrophobicContact CB-CD2 4.29Å; D397-A444 HydrophobicContact CB-CB 4.26Å; D397-A444 PolarHBondContact O-N 2.8Å
398	H	96.8	Very high	96	Very high	13 Å²	13	31.6 Å²	31.6	6%	0.06	19%	0.188	C	C	.	.			trans	-104.7	169.9	178.6	69	-74	0	0	0	109.6	I360 H395 A396 V400 I410 G411	I360-H398 PolarHBondContact O-CE1 3.48Å; I360-H398 PolarHBondContact O-NE2 3.27Å; H395-H398 HydrophobicContact CB-CB 4.29Å; A396-H398 PolarHBondContact O-N 3.42Å; A396-H398 VanDerWaalsContact O-N 3.16Å; H398-V400 WeakPolarHBondContact NE2-CG2 3.47Å; H398-I410 WeakPolarHBondContact CB-O 3.45Å; H398-G411 WeakPolarHBondContact CB-O 3.26Å
399	C	97	Very high	96.1	Very high	10 Å²	10	31 Å²	31	7%	0.068	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	153.6	168.9	79.5	0	0	0	0	111.6	I410 H445	C399-I410 PolarHBondContact N-O 2.6Å; C399-I410 PolarHBondContact O-N 3.49Å; C399-H445 PolarHBondContact SG-NE2 3Å; C399-H445 VanDerWaalsContact SG-NE2 3.36Å
400	V	98.3	Very high	96.2	Very high	15 Å²	15	26.9 Å²	26.9	9%	0.091	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	135	176.5	176.1	0	0	0	0	109.4	G349 A351 I360 H398 I407 Y408 A409	G349-V400 VanDerWaalsContact CA-CG2 3.46Å; A351-V400 HydrophobicContact CB-CG1 3.67Å; I360-V400 HydrophobicContact CB-CG2 4Å; I360-V400 HydrophobicContact CG1-CG1 4.23Å; I360-V400 HydrophobicContact CG1-CG2 4.43Å; I360-V400 HydrophobicContact CG2-CG2 4.21Å; H398-V400 WeakPolarHBondContact NE2-CG2 3.47Å; V400-I407 HydrophobicContact CG1-CG2 3.41Å; V400-I407 VanDerWaalsContact CG1-CG2 3.41Å; V400-Y408 CarbonylContact C-O 3.42Å; V400-Y408 WeakPolarHBondContact CA-O 3.16Å; V400-A409 HydrophobicContact CG2-CB 4.3Å
401	C	98.3	Very high	96.2	Very high	7 Å²	7	24.3 Å²	24.3	5%	0.047	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	151.1	-174.1	-77.4	0	0	0	0	110.8	I407 Y408 V449 I454	C401-I407 CarbonylContact O-C 3.59Å; C401-I407 WeakPolarHBondContact O-CA 3.43Å; C401-Y408 PolarHBondContact N-O 3.42Å; C401-Y408 PolarHBondContact O-N 3.13Å; C401-V449 HydrophobicContact CB-CG2 3.65Å; C401-I454 HydrophobicContact CB-CD1 3.94Å; C401-I454 HydrophobicContact CB-CG1 4.2Å; C401-I454 HydrophobicContact CB-CG2 3.85Å
402	V	98.3	Very high	96.2	Very high	35 Å²	35	24 Å²	24	21%	0.212	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	121.7	178.2	-178	0	0	0	0	109.9	A351 L353 H406 I407	A351-V402 HydrophobicContact CB-CG2 3.38Å; L353-V402 HydrophobicContact CB-CG1 4.2Å; L353-V402 HydrophobicContact CD1-CG1 3.76Å; L353-V402 HydrophobicContact CG-CG1 4.45Å; V402-H406 WeakPolarHBondContact CA-O 3.49Å; V402-I407 HydrophobicContact CG2-CG1 4.23Å
403	V	97.7	Very high	96.1	Very high	14 Å²	14	21.8 Å²	21.8	9%	0.085	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	133.4	175.5	-173.3	0	0	0	0	110.6	G405 H406 Y408 V449 G452 I454 P474	V403-G405 PolarHBondContact O-N 3.4Å; V403-H406 PolarHBondContact N-O 3.37Å; V403-H406 PolarHBondContact O-N 2.95Å; V403-Y408 HydrophobicContact CB-CE2 4.01Å; V403-V449 HydrophobicContact CG2-CB 4.38Å; V403-V449 HydrophobicContact CG2-CG1 3.69Å; V403-V449 HydrophobicContact CG2-CG2 3.74Å; V403-G452 VanDerWaalsContact CG1-O 3.29Å; V403-G452 WeakPolarHBondContact CG1-O 3.43Å; V403-I454 HydrophobicContact CG2-CD1 3.89Å; V403-I454 HydrophobicContact CG2-CG1 3.46Å; V403-I454 VanDerWaalsContact CG2-CG1 3.46Å; V403-P474 HydrophobicContact CB-CG 4.18Å; V403-P474 HydrophobicContact CG1-CG 3.84Å
404	G	95.6	Very high	96.2	Very high	69 Å²	69	19.3 Å²	19.3	71%	0.711	12%	0.123	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.6	36.5	174.3	0	0	0	0	0	113.3	H406	G404-H406 VanDerWaalsContact C-N 3.26Å; G404-H406 PolarHBondContact O-CE1 3.29Å; G404-H406 PolarHBondContact O-N 3.17Å; G404-H406 PolarHBondContact O-ND1 3.25Å
405	G	95.8	Very high	96.1	Very high	36 Å²	36	19.2 Å²	19.2	37%	0.371	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.4	1.7	-178.6	0	0	0	0	0	115.7	L353 V403 P427	L353-G405 WeakPolarHBondContact CD2-O 3.35Å; V403-G405 PolarHBondContact O-N 3.4Å; G405-P427 WeakPolarHBondContact O-CD 3.42Å; G405-P427 WeakPolarHBondContact O-CG 3.21Å
406	H	98.1	Very high	96.2	Very high	44 Å²	44	28 Å²	28	20%	0.204	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	156.1	179.2	-58.9	79.8	0	0	0	111	V402 V403 G404 Y408 R424 Y425	V402-H406 WeakPolarHBondContact CA-O 3.49Å; V403-H406 PolarHBondContact N-O 3.37Å; V403-H406 PolarHBondContact O-N 2.95Å; G404-H406 VanDerWaalsContact C-N 3.26Å; G404-H406 PolarHBondContact O-CE1 3.29Å; G404-H406 PolarHBondContact O-N 3.17Å; G404-H406 PolarHBondContact O-ND1 3.25Å; H406-Y408 HydrophobicContact CB-CE2 3.81Å; H406-R424 HydrophobicContact CB-CG 3.77Å; H406-Y425 WeakPolarHBondContact CA-O 3.49Å
407	I	98.6	Very high	96.1	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	133.6	177.4	-52.2	179.2	0	0	0	108.7	A351 L353 Y358 V400 C401 V402 R424 Y425 W432	A351-I407 HydrophobicContact CB-CD1 4.5Å; A351-I407 HydrophobicContact CB-CG2 4Å; L353-I407 HydrophobicContact CD2-CG1 4.34Å; Y358-I407 HydrophobicContact CD1-CD1 3.42Å; Y358-I407 VanDerWaalsContact CD1-CD1 3.42Å; Y358-I407 HydrophobicContact CD2-CD1 3.59Å; Y358-I407 HydrophobicContact CE1-CD1 3.68Å; Y358-I407 HydrophobicContact CE2-CD1 3.86Å; Y358-I407 HydrophobicContact CG-CD1 3.35Å; V400-I407 HydrophobicContact CG1-CG2 3.41Å; V400-I407 VanDerWaalsContact CG1-CG2 3.41Å; C401-I407 CarbonylContact O-C 3.59Å; C401-I407 WeakPolarHBondContact O-CA 3.43Å; V402-I407 HydrophobicContact CG2-CG1 4.23Å; I407-R424 CarbonylContact O-C 3.59Å; I407-R424 WeakPolarHBondContact O-CA 3.47Å; I407-Y425 HydrophobicContact CB-CD1 4.38Å; I407-Y425 HydrophobicContact CD1-CD1 4.02Å; I407-Y425 HydrophobicContact CG1-CD1 4.29Å; I407-Y425 PolarHBondContact N-O 3.37Å; I407-Y425 VanDerWaalsContact N-O 3.12Å; I407-Y425 PolarHBondContact O-N 2.82Å; I407-W432 HydrophobicContact CG2-CH2 4.49Å
408	Y	98.7	Very high	96.2	Very high	4 Å²	4	33 Å²	33	2%	0.016	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	124.9	-178	-63.9	-99.8	0	0	0	109.5	V400 C401 V403 H406 V422 E423 R424 V435 I454 Y472	V400-Y408 CarbonylContact C-O 3.42Å; V400-Y408 WeakPolarHBondContact CA-O 3.16Å; C401-Y408 PolarHBondContact N-O 3.42Å; C401-Y408 PolarHBondContact O-N 3.13Å; V403-Y408 HydrophobicContact CB-CE2 4.01Å; H406-Y408 HydrophobicContact CB-CE2 3.81Å; Y408-V422 HydrophobicContact CD1-CG1 4.24Å; Y408-E423 CarbonylContact C-O 3.56Å; Y408-E423 VanDerWaalsContact CA-O 3.3Å; Y408-E423 WeakPolarHBondContact CA-O 3.42Å; Y408-R424 HydrophobicContact CD1-CB 4.02Å; Y408-R424 HydrophobicContact CD1-CG 4.16Å; Y408-R424 HydrophobicContact CE1-CB 3.85Å; Y408-R424 HydrophobicContact CE1-CG 3.68Å; Y408-R424 HydrophobicContact CE2-CG 4.37Å; Y408-R424 VanDerWaalsContact OH-CD 3.28Å; Y408-R424 WeakPolarHBondContact OH-CD 3.48Å; Y408-V435 HydrophobicContact CD1-CG2 4.37Å; Y408-V435 HydrophobicContact CE1-CG2 4.43Å; Y408-I454 HydrophobicContact CD1-CD1 4.26Å; Y408-I454 HydrophobicContact CD2-CD1 3.77Å; Y408-I454 HydrophobicContact CE2-CD1 4.41Å; Y408-I454 HydrophobicContact CG-CD1 3.7Å; Y408-Y472 HydrophobicContact CD1-CE1 4.07Å; Y408-Y472 AromaticContact CE1-CE1 3.72Å; Y408-Y472 HydrophobicContact CE1-CE1 3.72Å
409	A	98.4	Very high	96.2	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	121.2	169.1	0	0	0	0	0	108.9	I360 L391 V400 V422 E423 W432	I360-A409 HydrophobicContact CG2-CB 4.16Å; L391-A409 HydrophobicContact CD2-CB 3.78Å; V400-A409 HydrophobicContact CG2-CB 4.3Å; A409-V422 WeakPolarHBondContact O-CA 3.33Å; A409-E423 PolarHBondContact N-O 3.39Å; A409-E423 PolarHBondContact O-N 3.36Å; A409-W432 HydrophobicContact CB-CH2 4.27Å; A409-W432 HydrophobicContact CB-CZ3 3.96Å
410	I	98.4	Very high	96.2	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	118	-164.4	-62	156.9	0	0	0	110.6	H398 C399 V422 M438 H445 I454 V456 W479	H398-I410 WeakPolarHBondContact CB-O 3.45Å; C399-I410 PolarHBondContact N-O 2.6Å; C399-I410 PolarHBondContact O-N 3.49Å; I410-V422 HydrophobicContact CG1-CG1 3.76Å; I410-V422 HydrophobicContact CG1-CG2 4.38Å; I410-V422 HydrophobicContact CG2-CG2 4.23Å; I410-M438 HydrophobicContact CG2-CE 4.16Å; I410-M438 HydrophobicContact CG2-CG 4.17Å; I410-M438 HydrophobicContact CG2-SD 3.52Å; I410-M438 VanDerWaalsContact CG2-SD 3.52Å; I410-H445 PolarHBondContact O-CE1 2.8Å; I410-H445 PolarHBondContact O-NE2 2.7Å; I410-I454 HydrophobicContact CD1-CD1 4.05Å; I410-I454 HydrophobicContact CD1-CG2 3.69Å; I410-V456 HydrophobicContact CD1-CG2 4.48Å; I410-V456 HydrophobicContact CG2-CG2 4.1Å; I410-W479 HydrophobicContact CD1-CH2 4.39Å; I410-W479 HydrophobicContact CG2-CH2 3.92Å; I410-W479 HydrophobicContact CG2-CZ2 4.05Å
411	G	97.3	Very high	96.1	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	61.9	-141	171.9	0	0	0	0	0	114.7	H398 W421 M438	H398-G411 WeakPolarHBondContact CB-O 3.26Å; G411-W421 PolarHBondContact N-O 3.07Å; G411-M438 VanDerWaalsContact CA-CE 3.43Å
412	G	96.8	Very high	96.1	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	94.5	-148.8	-177.1	0	0	0	0	0	112.4	A396 L419 V442 Y443	A396-G412 CarbonylContact O-C 3.5Å; A396-G412 VanDerWaalsContact O-CA 3.25Å; A396-G412 WeakPolarHBondContact O-CA 3.36Å; G412-L419 WeakPolarHBondContact O-CB 3.48Å; G412-L419 PolarHBondContact O-N 2.75Å; G412-V442 PolarHBondContact N-O 2.77Å; G412-Y443 WeakPolarHBondContact O-CB 3.39Å
413	R	94.6	Very high	96.1	Very high	55 Å²	55	36.1 Å²	36.1	21%	0.208	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	155.6	179.8	59.9	179.3	177.3	162.5	5.6	111.8	A396 D397 Y415 S417 Y443	A396-R413 PolarHBondContact N-O 3.22Å; A396-R413 PolarHBondContact O-N 3.48Å; D397-R413 IonicContact OD2-CZ 3.46Å; D397-R413 IonicContact OD2-NE 3.37Å; D397-R413 PolarHBondContact OD2-NE 3.34Å; D397-R413 IonicContact OD2-NH2 2.89Å; D397-R413 PolarHBondContact OD2-NH2 3.22Å; R413-Y415 VanDerWaalsContact CZ-CE1 3.49Å; R413-Y415 PolarHBondContact NH2-OH 3.23Å; R413-S417 WeakPolarHBondContact CA-O 3.1Å; R413-S417 WeakPolarHBondContact CB-O 3.3Å; R413-Y443 HydrophobicContact CB-CG 4.4Å; R413-Y443 HydrophobicContact CG-CD2 4.25Å; R413-Y443 HydrophobicContact CG-CG 4.34Å
414	D	92.6	Very high	96.1	Very high	19 Å²	19	38.6 Å²	38.6	10%	0.102	20%	0.202	C	C	.	.			trans	-107.9	9.3	172.8	76.2	-21.2	0	0	0	112.9	Q394 K416 S417	Q394-D414 HydrophobicContact CG-CB 3.74Å; Q394-D414 PolarHBondContact NE2-O 2.89Å; D414-K416 PolarHBondContact O-N 3.48Å; D414-K416 WeakPolarHBondContact OD1-CA 3.15Å; D414-K416 WeakPolarHBondContact OD1-CB 3.43Å; D414-K416 PolarHBondContact OD1-N 3.45Å; D414-S417 PolarHBondContact N-O 3.25Å; D414-S417 PolarHBondContact OD1-N 2.95Å; D414-S417 VanDerWaalsContact OD1-O 3.12Å; D414-S417 PolarHBondContact OD1-OG 2.9Å
415	Y	90.3	Very high	96.2	Very high	74 Å²	74	35.3 Å²	35.3	29%	0.29	17%	0.168	S	C	.	.	S	Bend	trans	67.5	4.3	-170.8	-64.7	-87.9	0	0	0	116	D363 F369 A371 A396 R413	D363-Y415 VanDerWaalsContact CG-OH 3.27Å; D363-Y415 VanDerWaalsContact OD1-CE2 3.3Å; D363-Y415 WeakPolarHBondContact OD1-CE2 3.37Å; D363-Y415 VanDerWaalsContact OD1-CZ 3.31Å; D363-Y415 PolarHBondContact OD1-OH 3.44Å; F369-Y415 HydrophobicContact CB-CD1 4.39Å; F369-Y415 HydrophobicContact CB-CE1 3.7Å; F369-Y415 HydrophobicContact CB-CE2 4.48Å; A371-Y415 HydrophobicContact CB-CD2 4.03Å; A371-Y415 HydrophobicContact CB-CE2 4.26Å; A396-Y415 HydrophobicContact CB-CE2 3.75Å; R413-Y415 VanDerWaalsContact CZ-CE1 3.49Å; R413-Y415 PolarHBondContact NH2-OH 3.23Å
416	K	90.8	Very high	96.3	Very high	185 Å²	185	35.2 Å²	35.2	80%	0.804	16%	0.159	S	C	*	.	S	Bend	trans	-110.4	-36	167.9	-60.9	174.8	-178.3	170.5	0	111.6	D414	D414-K416 PolarHBondContact O-N 3.48Å; D414-K416 WeakPolarHBondContact OD1-CA 3.15Å; D414-K416 WeakPolarHBondContact OD1-CB 3.43Å; D414-K416 PolarHBondContact OD1-N 3.45Å
417	S	92.4	Very high	96.2	Very high	56 Å²	56	33.4 Å²	33.4	39%	0.392	15%	0.151	S	C	.	.	S	Bend	trans	-142.5	156.6	-178.4	42	0	0	0	0	111.3	R413 D414	R413-S417 WeakPolarHBondContact CA-O 3.1Å; R413-S417 WeakPolarHBondContact CB-O 3.3Å; D414-S417 PolarHBondContact N-O 3.25Å; D414-S417 PolarHBondContact OD1-N 2.95Å; D414-S417 VanDerWaalsContact OD1-O 3.12Å; D414-S417 PolarHBondContact OD1-OG 2.9Å
418	E	95.3	Very high	96	Very high	58 Å²	58	37.3 Å²	37.3	27%	0.271	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	140.8	166.2	-62.7	167.7	-171.1	0	0	107.8	E441 Y443 R461 G462	E418-E441 HydrophobicContact CB-CB 3.98Å; E418-E441 HydrophobicContact CB-CG 3.69Å; E418-Y443 HydrophobicContact CG-CD1 3.73Å; E418-Y443 HydrophobicContact CG-CE1 3.98Å; E418-R461 VanDerWaalsContact OE2-CA 3.26Å; E418-R461 WeakPolarHBondContact OE2-CA 3.45Å; E418-R461 WeakPolarHBondContact OE2-CG 3.31Å; E418-G462 VanDerWaalsContact CD-N 3.27Å; E418-G462 WeakPolarHBondContact OE1-CA 3.39Å; E418-G462 PolarHBondContact OE1-N 3.12Å; E418-G462 PolarHBondContact OE2-N 2.87Å
419	L	96.3	Very high	95.9	Very high	3 Å²	3	40.9 Å²	40.9	2%	0.016	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	142.6	-168.3	-54.3	175.4	0	0	0	111.4	H395 G412 W421 E441 V442	H395-L419 WeakPolarHBondContact CD2-CD1 3.43Å; G412-L419 WeakPolarHBondContact O-CB 3.48Å; G412-L419 PolarHBondContact O-N 2.75Å; L419-W421 HydrophobicContact CD2-CE3 4.05Å; L419-W421 HydrophobicContact CD2-CH2 4.27Å; L419-W421 HydrophobicContact CD2-CZ3 3.78Å; L419-E441 WeakPolarHBondContact O-CA 3.4Å; L419-V442 PolarHBondContact O-N 3.15Å; L419-V442 VanDerWaalsContact O-N 3.14Å
420	D	96.9	Very high	95.8	Very high	49 Å²	49	42.5 Å²	42.5	26%	0.262	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	-8.9	170.9	64.7	-19.2	0	0	0	113	P437 M438 E441	D420-P437 CarbonylContact O-C 3.56Å; D420-P437 WeakPolarHBondContact O-CA 3.48Å; D420-P437 WeakPolarHBondContact O-CB 3.25Å; D420-M438 HydrophobicContact CB-CB 4.43Å; D420-M438 PolarHBondContact O-N 3.44Å; D420-E441 HydrophobicContact CB-CB 4.26Å
421	W	96.6	Very high	95.7	Very high	92 Å²	92	45.6 Å²	45.6	35%	0.348	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	153.3	-176.5	-51.8	-32.7	0	0	0	113.1	M393 G411 L419 F434	M393-W421 HydrophobicContact CB-CE3 4.28Å; M393-W421 HydrophobicContact CB-CZ3 4.18Å; M393-W421 HydrophobicContact CE-CH2 4Å; M393-W421 HydrophobicContact CE-CZ3 3.59Å; M393-W421 HydrophobicContact CG-CE3 4.01Å; M393-W421 HydrophobicContact CG-CZ3 3.77Å; M393-W421 HydrophobicContact SD-CZ3 4.45Å; G411-W421 PolarHBondContact N-O 3.07Å; L419-W421 HydrophobicContact CD2-CE3 4.05Å; L419-W421 HydrophobicContact CD2-CH2 4.27Å; L419-W421 HydrophobicContact CD2-CZ3 3.78Å; W421-F434 HydrophobicContact CB-CD1 4.27Å; W421-F434 HydrophobicContact CB-CE1 4.09Å; W421-F434 HydrophobicContact CG-CE1 4.42Å
422	V	98.3	Very high	95.8	Very high	1 Å²	1	46.4 Å²	46.4	1%	0.006	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	124.6	175	-174.3	0	0	0	0	108	Y408 A409 I410 F434 V435 M438 W479	Y408-V422 HydrophobicContact CD1-CG1 4.24Å; A409-V422 WeakPolarHBondContact O-CA 3.33Å; I410-V422 HydrophobicContact CG1-CG1 3.76Å; I410-V422 HydrophobicContact CG1-CG2 4.38Å; I410-V422 HydrophobicContact CG2-CG2 4.23Å; V422-F434 WeakPolarHBondContact O-CA 3.3Å; V422-V435 HydrophobicContact CB-CG2 3.67Å; V422-V435 HydrophobicContact CG1-CG2 3.43Å; V422-V435 VanDerWaalsContact CG1-CG2 3.43Å; V422-V435 PolarHBondContact O-N 2.79Å; V422-M438 HydrophobicContact CG2-CG 4.21Å; V422-W479 HydrophobicContact CG2-CZ2 3.79Å
423	E	98.3	Very high	95.9	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	132.7	174.8	-64.7	-170.1	-119.8	0	0	109.8	L391 Q392 M393 H395 Y408 A409 W432 E433 F434	L391-E423 HydrophobicContact CD2-CB 4.27Å; Q392-E423 VanDerWaalsContact CB-OE2 3.3Å; Q392-E423 WeakPolarHBondContact CB-OE2 3.2Å; Q392-E423 WeakPolarHBondContact CG-OE2 3.2Å; Q392-E423 PolarHBondContact N-OE1 3.04Å; Q392-E423 PolarHBondContact N-OE2 2.96Å; Q392-E423 PolarHBondContact NE2-OE2 3.11Å; M393-E423 PolarHBondContact N-OE1 3.07Å; H395-E423 IonicContact CE1-OE1 3.78Å; H395-E423 PolarHBondContact CE1-OE1 3.42Å; H395-E423 IonicContact NE2-OE1 3.79Å; Y408-E423 CarbonylContact C-O 3.56Å; Y408-E423 VanDerWaalsContact CA-O 3.3Å; Y408-E423 WeakPolarHBondContact CA-O 3.42Å; A409-E423 PolarHBondContact N-O 3.39Å; A409-E423 PolarHBondContact O-N 3.36Å; E423-W432 HydrophobicContact CB-CE3 3.64Å; E423-W432 HydrophobicContact CB-CZ3 4.2Å; E423-E433 CarbonylContact C-O 3.52Å; E423-E433 VanDerWaalsContact CA-O 3.32Å; E423-E433 WeakPolarHBondContact CA-O 3.2Å; E423-F434 HydrophobicContact CG-CD1 3.69Å; E423-F434 HydrophobicContact CG-CE1 3.46Å; E423-F434 VanDerWaalsContact CG-CE1 3.46Å; E423-F434 HydrophobicContact CG-CZ 4.16Å
424	R	98.4	Very high	96.1	Very high	65 Å²	65	52 Å²	52	25%	0.245	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	127.6	174.2	-178	-179.7	75.6	177.4	5.2	109.8	H406 I407 Y408 W432 E433 V435	H406-R424 HydrophobicContact CB-CG 3.77Å; I407-R424 CarbonylContact O-C 3.59Å; I407-R424 WeakPolarHBondContact O-CA 3.47Å; Y408-R424 HydrophobicContact CD1-CB 4.02Å; Y408-R424 HydrophobicContact CD1-CG 4.16Å; Y408-R424 HydrophobicContact CE1-CB 3.85Å; Y408-R424 HydrophobicContact CE1-CG 3.68Å; Y408-R424 HydrophobicContact CE2-CG 4.37Å; Y408-R424 VanDerWaalsContact OH-CD 3.28Å; Y408-R424 WeakPolarHBondContact OH-CD 3.48Å; R424-W432 CarbonylContact O-C 3.57Å; R424-W432 VanDerWaalsContact O-CA 3.31Å; R424-W432 WeakPolarHBondContact O-CA 3.37Å; R424-E433 HydrophobicContact CB-CG 4.26Å; R424-E433 IonicContact CZ-OE1 3.24Å; R424-E433 PolarHBondContact N-O 3.41Å; R424-E433 IonicContact NE-OE1 2.73Å; R424-E433 PolarHBondContact NE-OE1 3.02Å; R424-E433 IonicContact NH2-OE1 2.61Å; R424-E433 PolarHBondContact NH2-OE1 3.01Å; R424-E433 IonicContact NH2-OE2 3.85Å; R424-E433 PolarHBondContact O-N 3.16Å; R424-V435 HydrophobicContact CB-CG1 3.69Å
425	Y	98.4	Very high	96.3	Very high	1 Å²	1	52.1 Å²	52.1	0%	0.004	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	129	172.6	177.5	-106	0	0	0	110.9	Y358 I388 Q389 H406 I407 P427 N430 T431 W432	Y358-Y425 HydrophobicContact CE1-CE1 4.03Å; I388-Y425 HydrophobicContact CD1-CD1 4.48Å; I388-Y425 HydrophobicContact CD1-CD2 4.49Å; I388-Y425 HydrophobicContact CD1-CE1 3.98Å; I388-Y425 HydrophobicContact CD1-CE2 3.99Å; Q389-Y425 HydrophobicContact CB-CE2 4.33Å; H406-Y425 WeakPolarHBondContact CA-O 3.49Å; I407-Y425 HydrophobicContact CB-CD1 4.38Å; I407-Y425 HydrophobicContact CD1-CD1 4.02Å; I407-Y425 HydrophobicContact CG1-CD1 4.29Å; I407-Y425 PolarHBondContact N-O 3.37Å; I407-Y425 VanDerWaalsContact N-O 3.12Å; I407-Y425 PolarHBondContact O-N 2.82Å; Y425-P427 HydrophobicContact CE1-CB 3.87Å; Y425-N430 PolarHBondContact OH-OD1 2.8Å; Y425-T431 WeakPolarHBondContact CA-O 3.36Å; Y425-W432 VanDerWaalsContact CB-CZ3 3.48Å; Y425-W432 AromaticContact CD2-CD1 3.98Å; Y425-W432 HydrophobicContact CD2-CD2 4.04Å; Y425-W432 AromaticContact CD2-CE2 3.67Å; Y425-W432 HydrophobicContact CD2-CG 4.22Å; Y425-W432 HydrophobicContact CD2-CZ2 4.09Å; Y425-W432 AromaticContact CD2-NE1 3.62Å; Y425-W432 HydrophobicContact CG-CD2 4.3Å; Y425-W432 AromaticContact CG-CE2 3.99Å; Y425-W432 HydrophobicContact CG-CH2 4.34Å; Y425-W432 HydrophobicContact CG-CZ2 4.01Å
426	D	97.1	Very high	96.7	Very high	33 Å²	33	50.2 Å²	50.2	18%	0.176	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	114.7	168.3	-178.6	-7.5	0	0	0	109.5	V428 T429 N430 T431	D426-V428 PolarHBondContact O-N 2.74Å; D426-V428 WeakPolarHBondContact OD1-CA 3.33Å; D426-V428 VanDerWaalsContact OD1-CB 3.26Å; D426-V428 WeakPolarHBondContact OD1-CB 3.3Å; D426-V428 PolarHBondContact OD1-N 3.12Å; D426-T429 WeakPolarHBondContact CB-OG1 3.48Å; D426-T429 PolarHBondContact O-N 2.65Å; D426-N430 WeakPolarHBondContact O-CA 3.47Å; D426-N430 PolarHBondContact O-N 3.3Å; D426-T431 PolarHBondContact N-O 3.13Å; D426-T431 PolarHBondContact O-N 2.82Å
427	P	95.6	Very high	97.1	Very high	6 Å²	6	44.3 Å²	44.3	4%	0.039	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-19	177.5	30.2	-37.1	0	0	0	113.9	L353 G405 Y425	L353-P427 HydrophobicContact CD2-CB 4.4Å; L353-P427 HydrophobicContact CD2-CG 3.87Å; G405-P427 WeakPolarHBondContact O-CD 3.42Å; G405-P427 WeakPolarHBondContact O-CG 3.21Å; Y425-P427 HydrophobicContact CE1-CB 3.87Å
428	V	94.9	Very high	97.3	Very high	83 Å²	83	41.9 Å²	41.9	50%	0.503	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-41.7	178	-179.3	0	0	0	0	110.7	L287 A290 D426	L287-V428 HydrophobicContact CD2-CG1 4.3Å; L287-V428 WeakPolarHBondContact CD2-O 3.33Å; A290-V428 HydrophobicContact CB-CG2 3.66Å; D426-V428 PolarHBondContact O-N 2.74Å; D426-V428 WeakPolarHBondContact OD1-CA 3.33Å; D426-V428 VanDerWaalsContact OD1-CB 3.26Å; D426-V428 WeakPolarHBondContact OD1-CB 3.3Å; D426-V428 PolarHBondContact OD1-N 3.12Å
429	T	95.4	Very high	97.2	Very high	79 Å²	79	44.8 Å²	44.8	49%	0.485	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.8	-13.4	179.1	58.8	0	0	0	0	112.8	D426 T431	D426-T429 WeakPolarHBondContact CB-OG1 3.48Å; D426-T429 PolarHBondContact O-N 2.65Å; T429-T431 VanDerWaalsContact C-N 3.32Å; T429-T431 PolarHBondContact OG1-OG1 3.28Å
430	N	96.7	Very high	97.2	Very high	33 Å²	33	49 Å²	49	18%	0.176	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.9	50.5	-170.3	-180	49.5	0	0	0	110.9	L286 Q389 Y425 D426	L286-N430 HydrophobicContact CD1-CB 4.35Å; Q389-N430 WeakPolarHBondContact CB-O 3.49Å; Q389-N430 WeakPolarHBondContact CB-OD1 3.37Å; Q389-N430 PolarHBondContact N-OD1 2.99Å; Y425-N430 PolarHBondContact OH-OD1 2.8Å; D426-N430 WeakPolarHBondContact O-CA 3.47Å; D426-N430 PolarHBondContact O-N 3.3Å
431	T	97.6	Very high	97.2	Very high	65 Å²	65	50 Å²	50	40%	0.399	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	148.2	179.3	57.3	0	0	0	0	111.7	Y425 D426 T429	Y425-T431 WeakPolarHBondContact CA-O 3.36Å; D426-T431 PolarHBondContact N-O 3.13Å; D426-T431 PolarHBondContact O-N 2.82Å; T429-T431 VanDerWaalsContact C-N 3.32Å; T429-T431 PolarHBondContact OG1-OG1 3.28Å
432	W	98.5	Very high	97.3	Very high	17 Å²	17	46 Å²	46	6%	0.064	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	145.5	166.8	-65.7	91.6	0	0	0	110.2	I360 Q389 L391 Q392 I407 A409 E423 R424 Y425	I360-W432 HydrophobicContact CD1-CH2 4.24Å; I360-W432 HydrophobicContact CD1-CZ2 3.94Å; I360-W432 HydrophobicContact CG1-CH2 4.32Å; I360-W432 HydrophobicContact CG1-CZ2 4.47Å; I360-W432 HydrophobicContact CG2-CH2 3.71Å; I360-W432 HydrophobicContact CG2-CZ2 3.94Å; Q389-W432 PolarHBondContact O-NE1 2.93Å; L391-W432 HydrophobicContact CD2-CD2 3.85Å; L391-W432 HydrophobicContact CD2-CE3 3.78Å; L391-W432 HydrophobicContact CD2-CH2 3.79Å; L391-W432 HydrophobicContact CD2-CZ2 3.85Å; L391-W432 HydrophobicContact CD2-CZ3 3.75Å; L391-W432 HydrophobicContact CG-CZ2 4.44Å; Q392-W432 HydrophobicContact CG-CB 4.4Å; Q392-W432 PolarHBondContact NE2-O 3.43Å; I407-W432 HydrophobicContact CG2-CH2 4.49Å; A409-W432 HydrophobicContact CB-CH2 4.27Å; A409-W432 HydrophobicContact CB-CZ3 3.96Å; E423-W432 HydrophobicContact CB-CE3 3.64Å; E423-W432 HydrophobicContact CB-CZ3 4.2Å; R424-W432 CarbonylContact O-C 3.57Å; R424-W432 VanDerWaalsContact O-CA 3.31Å; R424-W432 WeakPolarHBondContact O-CA 3.37Å; Y425-W432 VanDerWaalsContact CB-CZ3 3.48Å; Y425-W432 AromaticContact CD2-CD1 3.98Å; Y425-W432 HydrophobicContact CD2-CD2 4.04Å; Y425-W432 AromaticContact CD2-CE2 3.67Å; Y425-W432 HydrophobicContact CD2-CG 4.22Å; Y425-W432 HydrophobicContact CD2-CZ2 4.09Å; Y425-W432 AromaticContact CD2-NE1 3.62Å; Y425-W432 HydrophobicContact CG-CD2 4.3Å; Y425-W432 AromaticContact CG-CE2 3.99Å; Y425-W432 HydrophobicContact CG-CH2 4.34Å; Y425-W432 HydrophobicContact CG-CZ2 4.01Å
433	E	98.3	Very high	97.2	Very high	79 Å²	79	46.8 Å²	46.8	37%	0.369	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	153.5	169.3	74	-163.8	131.8	0	0	110.3	E423 R424 V435	E423-E433 CarbonylContact C-O 3.52Å; E423-E433 VanDerWaalsContact CA-O 3.32Å; E423-E433 WeakPolarHBondContact CA-O 3.2Å; R424-E433 HydrophobicContact CB-CG 4.26Å; R424-E433 IonicContact CZ-OE1 3.24Å; R424-E433 PolarHBondContact N-O 3.41Å; R424-E433 IonicContact NE-OE1 2.73Å; R424-E433 PolarHBondContact NE-OE1 3.02Å; R424-E433 IonicContact NH2-OE1 2.61Å; R424-E433 PolarHBondContact NH2-OE1 3.01Å; R424-E433 IonicContact NH2-OE2 3.85Å; R424-E433 PolarHBondContact O-N 3.16Å; E433-V435 HydrophobicContact CG-CG1 4.43Å
434	F	98.4	Very high	97.2	Very high	95 Å²	95	47 Å²	47	42%	0.417	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	134.9	172.5	-69.8	-74.9	0	0	0	110.3	Q392 M393 W421 V422 E423	Q392-F434 HydrophobicContact CB-CE2 4.03Å; Q392-F434 HydrophobicContact CB-CZ 3.93Å; Q392-F434 HydrophobicContact CG-CE2 4.42Å; M393-F434 HydrophobicContact CG-CZ 4.12Å; W421-F434 HydrophobicContact CB-CD1 4.27Å; W421-F434 HydrophobicContact CB-CE1 4.09Å; W421-F434 HydrophobicContact CG-CE1 4.42Å; V422-F434 WeakPolarHBondContact O-CA 3.3Å; E423-F434 HydrophobicContact CG-CD1 3.69Å; E423-F434 HydrophobicContact CG-CE1 3.46Å; E423-F434 VanDerWaalsContact CG-CE1 3.46Å; E423-F434 HydrophobicContact CG-CZ 4.16Å
435	V	98.5	Very high	97.1	Very high	20 Å²	20	44.3 Å²	44.3	12%	0.121	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	-175.4	169.8	-58.9	0	0	0	0	109.3	Y408 V422 R424 E433 D477	Y408-V435 HydrophobicContact CD1-CG2 4.37Å; Y408-V435 HydrophobicContact CE1-CG2 4.43Å; V422-V435 HydrophobicContact CB-CG2 3.67Å; V422-V435 HydrophobicContact CG1-CG2 3.43Å; V422-V435 VanDerWaalsContact CG1-CG2 3.43Å; V422-V435 PolarHBondContact O-N 2.79Å; R424-V435 HydrophobicContact CB-CG1 3.69Å; E433-V435 HydrophobicContact CG-CG1 4.43Å; V435-D477 WeakPolarHBondContact CB-OD1 3.31Å
436	S	98.4	Very high	97.1	Very high	35 Å²	35	44.9 Å²	44.9	25%	0.245	24%	0.235	C	C	.	.	P	Polyproline II helix	trans	-57.7	125.2	-175.6	-76	0	0	0	0	112	D477 W479	S436-D477 WeakPolarHBondContact CB-O 3.41Å; S436-D477 WeakPolarHBondContact CB-OD1 3.48Å; S436-D477 PolarHBondContact N-OD1 3.05Å; S436-D477 PolarHBondContact N-OD2 2.87Å; S436-D477 PolarHBondContact OG-O 2.9Å; S436-D477 PolarHBondContact OG-OD1 3.34Å; S436-D477 PolarHBondContact OG-OD2 2.92Å; S436-W479 PolarHBondContact O-NE1 3.36Å
437	P	98.2	Very high	97.1	Very high	61 Å²	61	44 Å²	44	40%	0.396	23%	0.234	S	C	.	.	P	Polyproline II helix	trans	-69.6	158.6	-178.2	30.4	-35.6	0	0	0	110.6	D420	D420-P437 CarbonylContact O-C 3.56Å; D420-P437 WeakPolarHBondContact O-CA 3.48Å; D420-P437 WeakPolarHBondContact O-CB 3.25Å
438	M	97.6	Very high	97.2	Very high	5 Å²	5	44 Å²	44	3%	0.025	24%	0.235	C	C	.	.	P	Polyproline II helix	trans	-58.9	153.2	169.2	-65.6	-174.3	-64.9	0	0	110.2	I410 G411 D420 V422 K440 V442 W479	I410-M438 HydrophobicContact CG2-CE 4.16Å; I410-M438 HydrophobicContact CG2-CG 4.17Å; I410-M438 HydrophobicContact CG2-SD 3.52Å; I410-M438 VanDerWaalsContact CG2-SD 3.52Å; G411-M438 VanDerWaalsContact CA-CE 3.43Å; D420-M438 HydrophobicContact CB-CB 4.43Å; D420-M438 PolarHBondContact O-N 3.44Å; V422-M438 HydrophobicContact CG2-CG 4.21Å; M438-K440 WeakPolarHBondContact CB-O 3.33Å; M438-K440 PolarHBondContact O-N 2.9Å; M438-V442 HydrophobicContact CE-CG1 3.42Å; M438-V442 VanDerWaalsContact CE-CG1 3.42Å; M438-V442 HydrophobicContact SD-CG1 3.62Å; M438-W479 HydrophobicContact CG-CD2 4.23Å; M438-W479 HydrophobicContact CG-CH2 4.05Å; M438-W479 HydrophobicContact CG-CZ2 3.66Å; M438-W479 HydrophobicContact CG-CZ3 4.49Å; M438-W479 HydrophobicContact SD-CH2 4.42Å
439	K	93.6	Very high	97.4	Very high	118 Å²	118	42.3 Å²	42.3	51%	0.513	23%	0.225	S	C	.	.	S	Bend	trans	-65	-21.9	-179.8	-57.8	-56.9	-176.1	-164.5	0	113.2	Y470 D478 W479	K439-Y470 HydrophobicContact CB-CE1 4.39Å; K439-Y470 HydrophobicContact CG-CE1 4.47Å; K439-D478 IonicContact NZ-OD1 3.81Å; K439-D478 PolarHBondContact NZ-OD1 3.17Å; K439-W479 WeakPolarHBondContact CE-O 3.26Å; K439-W479 HydrophobicContact CG-CB 4.29Å
440	K	95.5	Very high	97.5	Very high	93 Å²	93	39.2 Å²	39.2	40%	0.404	21%	0.205	S	C	.	.	S	Bend	trans	-151.4	152.6	177.9	-63.4	-174.3	-175.2	173.1	0	109.7	M438 E468	M438-K440 WeakPolarHBondContact CB-O 3.33Å; M438-K440 PolarHBondContact O-N 2.9Å; K440-E468 IonicContact NZ-OE1 2.82Å
441	E	96.9	Very high	97.5	Very high	70 Å²	70	43.8 Å²	43.8	33%	0.327	23%	0.23	S	C	.	.			trans	-63.6	145	175.3	69.7	-74.2	-179.6	0	0	112.2	E418 L419 D420 R461	E418-E441 HydrophobicContact CB-CB 3.98Å; E418-E441 HydrophobicContact CB-CG 3.69Å; L419-E441 WeakPolarHBondContact O-CA 3.4Å; D420-E441 HydrophobicContact CB-CB 4.26Å; E441-R461 HydrophobicContact CG-CG 4.09Å; E441-R461 PolarHBondContact O-NE 2.84Å; E441-R461 PolarHBondContact O-NH2 3.3Å; E441-R461 VanDerWaalsContact OE1-CD 3.27Å; E441-R461 WeakPolarHBondContact OE1-CD 3.43Å; E441-R461 WeakPolarHBondContact OE1-CG 3.42Å; E441-R461 IonicContact OE1-NE 3.52Å
442	V	97.6	Very high	97.5	Very high	8 Å²	8	42.7 Å²	42.7	5%	0.048	23%	0.232	C	C	.	.			trans	-159.1	138.3	175.8	58.8	0	0	0	0	111.9	G412 L419 M438 H445 C458 L466	G412-V442 PolarHBondContact N-O 2.77Å; L419-V442 PolarHBondContact O-N 3.15Å; L419-V442 VanDerWaalsContact O-N 3.14Å; M438-V442 HydrophobicContact CE-CG1 3.42Å; M438-V442 VanDerWaalsContact CE-CG1 3.42Å; M438-V442 HydrophobicContact SD-CG1 3.62Å; V442-H445 HydrophobicContact CG2-CB 3.82Å; V442-H445 PolarHBondContact O-CE1 3.04Å; V442-H445 PolarHBondContact O-ND1 2.84Å; V442-C458 WeakPolarHBondContact CG2-O 3.2Å; V442-L466 HydrophobicContact CB-CD1 4.38Å; V442-L466 HydrophobicContact CG2-CD1 3.85Å
443	Y	97.5	Very high	97.5	Very high	17 Å²	17	47 Å²	47	7%	0.067	25%	0.248	C	C	.	.	B	Isolated β-bridge	trans	-130.2	166.3	171.9	77.6	-81.1	0	0	0	111.7	D397 G412 R413 E418 H445 G459 R460 W491	D397-Y443 HydrophobicContact CB-CD2 4.29Å; G412-Y443 WeakPolarHBondContact O-CB 3.39Å; R413-Y443 HydrophobicContact CB-CG 4.4Å; R413-Y443 HydrophobicContact CG-CD2 4.25Å; R413-Y443 HydrophobicContact CG-CG 4.34Å; E418-Y443 HydrophobicContact CG-CD1 3.73Å; E418-Y443 HydrophobicContact CG-CE1 3.98Å; Y443-H445 PolarHBondContact O-N 3.36Å; Y443-H445 VanDerWaalsContact O-N 3.08Å; Y443-G459 CarbonylContact O-C 3.53Å; Y443-G459 WeakPolarHBondContact O-CA 3.41Å; Y443-R460 HydrophobicContact CD1-CB 3.9Å; Y443-R460 WeakPolarHBondContact CD1-O 3.5Å; Y443-R460 HydrophobicContact CE1-CB 3.39Å; Y443-R460 HydrophobicContact CE2-CB 4.08Å; Y443-R460 HydrophobicContact CG-CB 4.45Å; Y443-R460 VanDerWaalsContact CZ-CB 3.49Å; Y443-R460 PolarHBondContact N-O 3.42Å; Y443-R460 VanDerWaalsContact N-O 3.15Å; Y443-R460 PolarHBondContact O-N 3.4Å; Y443-R460 PolarHBondContact OH-NE 2.91Å; Y443-W491 HydrophobicContact CE2-CZ2 4.18Å
444	A	97.1	Very high	97.5	Very high	3 Å²	3	43.3 Å²	43.3	3%	0.025	23%	0.23	C	C	.	.	S	Bend	trans	54.6	26.3	-176.3	0	0	0	0	0	113.2	D397 A490 W491	D397-A444 HydrophobicContact CB-CB 4.26Å; D397-A444 PolarHBondContact O-N 2.8Å; A444-A490 HydrophobicContact CB-CB 4.02Å; A444-A490 CarbonylContact O-C 3.5Å; A444-A490 WeakPolarHBondContact O-CA 3.31Å; A444-W491 HydrophobicContact CB-CD2 3.71Å; A444-W491 HydrophobicContact CB-CE3 4.39Å; A444-W491 HydrophobicContact CB-CG 3.86Å; A444-W491 HydrophobicContact CB-CZ2 4.14Å; A444-W491 PolarHBondContact O-N 3.3Å
445	H	97.9	Very high	97.6	Very high	10 Å²	10	39.3 Å²	39.3	5%	0.046	21%	0.213	C	C	.	.			trans	-87.4	174.6	169.1	65.5	-87.7	0	0	0	109.5	C399 I410 V442 Y443 V456	C399-H445 PolarHBondContact SG-NE2 3Å; C399-H445 VanDerWaalsContact SG-NE2 3.36Å; I410-H445 PolarHBondContact O-CE1 2.8Å; I410-H445 PolarHBondContact O-NE2 2.7Å; V442-H445 HydrophobicContact CG2-CB 3.82Å; V442-H445 PolarHBondContact O-CE1 3.04Å; V442-H445 PolarHBondContact O-ND1 2.84Å; Y443-H445 PolarHBondContact O-N 3.36Å; Y443-H445 VanDerWaalsContact O-N 3.08Å; H445-V456 HydrophobicContact CB-CG1 4.15Å; H445-V456 WeakPolarHBondContact CD2-CG1 3.39Å
446	A	97.8	Very high	97.5	Very high	12 Å²	12	38.5 Å²	38.5	10%	0.099	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	166.4	168.5	0	0	0	0	0	109.5	V456 A457 M494	A446-V456 WeakPolarHBondContact O-CA 3.39Å; A446-A457 PolarHBondContact O-N 3.27Å; A446-M494 HydrophobicContact CB-CB 3.75Å; A446-M494 HydrophobicContact CB-CG 3.66Å; A446-M494 HydrophobicContact CB-SD 3.86Å
447	G	97.4	Very high	97.5	Very high	15 Å²	15	36.9 Å²	36.9	16%	0.155	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	154.7	178.8	0	0	0	0	0	111.8	Y455	G447-Y455 CarbonylContact C-O 3.41Å; G447-Y455 WeakPolarHBondContact CA-O 3.39Å
448	A	98.1	Very high	97.5	Very high	7 Å²	7	34.2 Å²	34.2	6%	0.058	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	151.4	173	0	0	0	0	0	110.7	Y455 M494 A496 V501	A448-Y455 PolarHBondContact N-O 3.13Å; A448-Y455 PolarHBondContact O-N 2.81Å; A448-M494 HydrophobicContact CB-CB 4.21Å; A448-M494 HydrophobicContact CB-CE 4.39Å; A448-A496 HydrophobicContact CB-CB 4.27Å; A448-V501 HydrophobicContact CB-CG1 3.85Å; A448-V501 HydrophobicContact CB-CG2 4.28Å
449	V	98.4	Very high	97.5	Very high	46 Å²	46	34 Å²	34	28%	0.279	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	127.6	-179.8	177.1	0	0	0	0	110	C401 V403 R453 I454 A496	C401-V449 HydrophobicContact CB-CG2 3.65Å; V403-V449 HydrophobicContact CG2-CB 4.38Å; V403-V449 HydrophobicContact CG2-CG1 3.69Å; V403-V449 HydrophobicContact CG2-CG2 3.74Å; V449-R453 WeakPolarHBondContact CA-O 3.4Å; V449-I454 HydrophobicContact CG2-CG1 4.31Å; V449-A496 WeakPolarHBondContact O-CB 3.45Å
450	L	98.1	Very high	97.6	Very high	14 Å²	14	29.3 Å²	29.3	7%	0.073	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	131	175.1	177.8	66.6	0	0	0	109.6	G452 R453 Y455 A496 G499 V501 P525	L450-G452 VanDerWaalsContact C-N 3.28Å; L450-G452 PolarHBondContact O-N 3.26Å; L450-R453 PolarHBondContact N-O 2.85Å; L450-R453 PolarHBondContact O-N 3.01Å; L450-Y455 HydrophobicContact CB-CD2 4.13Å; L450-Y455 HydrophobicContact CB-CE2 3.83Å; L450-A496 HydrophobicContact CB-CB 4.43Å; L450-G499 WeakPolarHBondContact CD2-O 3.42Å; L450-V501 HydrophobicContact CB-CG2 3.88Å; L450-V501 HydrophobicContact CD2-CG2 3.94Å; L450-P525 HydrophobicContact CD2-CG 3.71Å
451	N	96.4	Very high	97.6	Very high	129 Å²	129	26.9 Å²	26.9	69%	0.69	15%	0.145	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.2	42.1	179.1	-59.3	-21.8	0	0	0	113.7	R453	N451-R453 PolarHBondContact O-N 3Å
452	G	97.6	Very high	97.4	Very high	43 Å²	43	24.8 Å²	24.8	44%	0.443	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.8	15.3	178.9	0	0	0	0	0	114.7	V403 L450	V403-G452 VanDerWaalsContact CG1-O 3.29Å; V403-G452 WeakPolarHBondContact CG1-O 3.43Å; L450-G452 VanDerWaalsContact C-N 3.28Å; L450-G452 PolarHBondContact O-N 3.26Å
453	R	98.5	Very high	97.1	Very high	108 Å²	108	32.3 Å²	32.3	41%	0.408	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	152.1	177	-66	-178.6	172	-168.7	-3.4	110.8	V449 L450 N451 Y455 D473	V449-R453 WeakPolarHBondContact CA-O 3.4Å; L450-R453 PolarHBondContact N-O 2.85Å; L450-R453 PolarHBondContact O-N 3.01Å; N451-R453 PolarHBondContact O-N 3Å; R453-Y455 HydrophobicContact CB-CE2 3.96Å; R453-D473 IonicContact CZ-OD2 3.64Å; R453-D473 IonicContact NE-OD2 3.28Å; R453-D473 PolarHBondContact NE-OD2 2.9Å; R453-D473 IonicContact NH2-OD2 3.39Å; R453-D473 PolarHBondContact NH2-OD2 2.86Å
454	I	98.8	Very high	96.9	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	125	179.9	-49.3	177.6	0	0	0	108.8	C401 V403 Y408 I410 V449 V456 C471 Y472	C401-I454 HydrophobicContact CB-CD1 3.94Å; C401-I454 HydrophobicContact CB-CG1 4.2Å; C401-I454 HydrophobicContact CB-CG2 3.85Å; V403-I454 HydrophobicContact CG2-CD1 3.89Å; V403-I454 HydrophobicContact CG2-CG1 3.46Å; V403-I454 VanDerWaalsContact CG2-CG1 3.46Å; Y408-I454 HydrophobicContact CD1-CD1 4.26Å; Y408-I454 HydrophobicContact CD2-CD1 3.77Å; Y408-I454 HydrophobicContact CE2-CD1 4.41Å; Y408-I454 HydrophobicContact CG-CD1 3.7Å; I410-I454 HydrophobicContact CD1-CD1 4.05Å; I410-I454 HydrophobicContact CD1-CG2 3.69Å; V449-I454 HydrophobicContact CG2-CG1 4.31Å; I454-V456 HydrophobicContact CG2-CG2 4.49Å; I454-C471 CarbonylContact O-C 3.57Å; I454-C471 VanDerWaalsContact O-CA 3.31Å; I454-C471 WeakPolarHBondContact O-CA 3.41Å; I454-Y472 HydrophobicContact CD1-CD1 3.91Å; I454-Y472 HydrophobicContact CG1-CD1 4.3Å; I454-Y472 PolarHBondContact N-O 3.02Å; I454-Y472 PolarHBondContact O-N 2.92Å
455	Y	98.6	Very high	96.9	Very high	12 Å²	12	34.5 Å²	34.5	5%	0.047	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	126.5	175.2	-62.9	-92.8	0	0	0	109.2	G447 A448 L450 R453 Y470 C471 V501 F523 P525	G447-Y455 CarbonylContact C-O 3.41Å; G447-Y455 WeakPolarHBondContact CA-O 3.39Å; A448-Y455 PolarHBondContact N-O 3.13Å; A448-Y455 PolarHBondContact O-N 2.81Å; L450-Y455 HydrophobicContact CB-CD2 4.13Å; L450-Y455 HydrophobicContact CB-CE2 3.83Å; R453-Y455 HydrophobicContact CB-CE2 3.96Å; Y455-Y470 WeakPolarHBondContact CA-O 3.49Å; Y455-C471 HydrophobicContact CD1-CB 3.89Å; Y455-C471 HydrophobicContact CE1-CB 3.74Å; Y455-V501 HydrophobicContact CD2-CG2 4.03Å; Y455-V501 HydrophobicContact CG-CG2 4.27Å; Y455-F523 HydrophobicContact CD1-CD1 4.2Å; Y455-F523 AromaticContact CD1-CE1 3.85Å; Y455-F523 HydrophobicContact CD1-CE1 3.85Å; Y455-F523 HydrophobicContact CE1-CD1 4.28Å; Y455-F523 AromaticContact CE1-CE1 3.62Å; Y455-F523 HydrophobicContact CE1-CE1 3.62Å; Y455-P525 HydrophobicContact CE1-CB 4.37Å; Y455-P525 WeakPolarHBondContact OH-CB 3.49Å
456	V	98.3	Very high	96.9	Very high	3 Å²	3	34.7 Å²	34.7	2%	0.018	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	132.5	173.4	169.1	0	0	0	0	108.5	I410 H445 A446 I454 T469 Y470 W479	I410-V456 HydrophobicContact CD1-CG2 4.48Å; I410-V456 HydrophobicContact CG2-CG2 4.1Å; H445-V456 HydrophobicContact CB-CG1 4.15Å; H445-V456 WeakPolarHBondContact CD2-CG1 3.39Å; A446-V456 WeakPolarHBondContact O-CA 3.39Å; I454-V456 HydrophobicContact CG2-CG2 4.49Å; V456-T469 CarbonylContact O-C 3.54Å; V456-T469 WeakPolarHBondContact O-CA 3.48Å; V456-Y470 PolarHBondContact N-O 3.03Å; V456-Y470 PolarHBondContact O-N 3.41Å; V456-W479 HydrophobicContact CB-CZ3 4.3Å; V456-W479 HydrophobicContact CG2-CH2 3.96Å; V456-W479 HydrophobicContact CG2-CZ3 4.15Å
457	A	98	Very high	96.8	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	149.9	-179.6	0	0	0	0	0	112.9	A446 E468 T469 H492 M494 V503 W530	A446-A457 PolarHBondContact O-N 3.27Å; A457-E468 WeakPolarHBondContact CA-O 3.3Å; A457-T469 HydrophobicContact CB-CG2 4.21Å; A457-H492 PolarHBondContact O-CE1 3.25Å; A457-H492 PolarHBondContact O-NE2 3.26Å; A457-M494 HydrophobicContact CB-CE 3.9Å; A457-M494 HydrophobicContact CB-SD 3.73Å; A457-V503 HydrophobicContact CB-CG2 4.15Å; A457-W530 HydrophobicContact CB-CH2 4.27Å; A457-W530 HydrophobicContact CB-CZ2 4.11Å
458	C	97.8	Very high	96.8	Very high	5 Å²	5	40 Å²	40	3%	0.034	21%	0.213	C	C	.	.			trans	55.7	-146.9	173.6	-51.5	0	0	0	0	112.5	V442 L466 E468 R489	V442-C458 WeakPolarHBondContact CG2-O 3.2Å; C458-L466 WeakPolarHBondContact CA-O 3.3Å; C458-L466 VanDerWaalsContact CB-O 3.26Å; C458-L466 WeakPolarHBondContact CB-O 3.36Å; C458-E468 PolarHBondContact N-O 3.39Å; C458-R489 HydrophobicContact CB-CG 3.79Å; C458-R489 VanDerWaalsContact CB-O 3.25Å; C458-R489 WeakPolarHBondContact CB-O 3.46Å
459	G	97.6	Very high	96.8	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.211	C	C	.	.			trans	102.6	-157.9	-175.7	0	0	0	0	0	112.9	Y443 L466 R489	Y443-G459 CarbonylContact O-C 3.53Å; Y443-G459 WeakPolarHBondContact O-CA 3.41Å; G459-L466 PolarHBondContact O-N 2.89Å; G459-R489 WeakPolarHBondContact CA-O 3.47Å; G459-R489 PolarHBondContact N-O 2.9Å
460	R	96.6	Very high	96.8	Very high	20 Å²	20	39.1 Å²	39.1	8%	0.075	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	149.9	-178.2	-68.3	-176	62.6	121.2	4.6	112.6	Y443 G462 A464 Y465 A490 W491	Y443-R460 HydrophobicContact CD1-CB 3.9Å; Y443-R460 WeakPolarHBondContact CD1-O 3.5Å; Y443-R460 HydrophobicContact CE1-CB 3.39Å; Y443-R460 HydrophobicContact CE2-CB 4.08Å; Y443-R460 HydrophobicContact CG-CB 4.45Å; Y443-R460 VanDerWaalsContact CZ-CB 3.49Å; Y443-R460 PolarHBondContact N-O 3.42Å; Y443-R460 VanDerWaalsContact N-O 3.15Å; Y443-R460 PolarHBondContact O-N 3.4Å; Y443-R460 PolarHBondContact OH-NE 2.91Å; R460-G462 PolarHBondContact NH2-O 3.03Å; R460-G462 VanDerWaalsContact NH2-O 3.16Å; R460-A464 VanDerWaalsContact CA-O 3.29Å; R460-A464 WeakPolarHBondContact CA-O 3.2Å; R460-Y465 HydrophobicContact CG-CD1 4.19Å; R460-Y465 HydrophobicContact CG-CE1 4.35Å; R460-Y465 PolarHBondContact NH1-OH 2.84Å; R460-A490 HydrophobicContact CG-CB 3.47Å; R460-A490 VanDerWaalsContact CG-CB 3.47Å; R460-W491 HydrophobicContact CG-CZ3 4.5Å
461	R	95.4	Very high	96.8	Very high	42 Å²	42	38.8 Å²	38.8	16%	0.158	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	112.5	167	-170.4	-179.8	-58.2	126.3	3.9	108.7	E418 E441 M463 A464 L466 E468	E418-R461 VanDerWaalsContact OE2-CA 3.26Å; E418-R461 WeakPolarHBondContact OE2-CA 3.45Å; E418-R461 WeakPolarHBondContact OE2-CG 3.31Å; E441-R461 HydrophobicContact CG-CG 4.09Å; E441-R461 PolarHBondContact O-NE 2.84Å; E441-R461 PolarHBondContact O-NH2 3.3Å; E441-R461 VanDerWaalsContact OE1-CD 3.27Å; E441-R461 WeakPolarHBondContact OE1-CD 3.43Å; E441-R461 WeakPolarHBondContact OE1-CG 3.42Å; E441-R461 IonicContact OE1-NE 3.52Å; R461-M463 PolarHBondContact O-N 2.83Å; R461-A464 PolarHBondContact N-O 2.81Å; R461-A464 VanDerWaalsContact N-O 3.17Å; R461-A464 WeakPolarHBondContact O-CB 3.32Å; R461-A464 PolarHBondContact O-N 2.83Å; R461-L466 HydrophobicContact CB-CD1 4.11Å; R461-L466 HydrophobicContact CB-CD2 4.22Å; R461-E468 IonicContact CZ-OE1 3.43Å; R461-E468 IonicContact CZ-OE2 3.17Å; R461-E468 IonicContact NH1-OE1 3.43Å; R461-E468 PolarHBondContact NH1-OE1 2.83Å; R461-E468 IonicContact NH1-OE2 3.53Å; R461-E468 PolarHBondContact NH1-OE2 3.16Å; R461-E468 IonicContact NH2-OE1 3.07Å; R461-E468 IonicContact NH2-OE2 3.2Å; R461-E468 PolarHBondContact NH2-OE2 3.37Å
462	G	92.6	Very high	97	Very high	27 Å²	27	32.8 Å²	32.8	28%	0.278	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.8	-118.3	-165.3	0	0	0	0	0	112.8	E418 R460	E418-G462 VanDerWaalsContact CD-N 3.27Å; E418-G462 WeakPolarHBondContact OE1-CA 3.39Å; E418-G462 PolarHBondContact OE1-N 3.12Å; E418-G462 PolarHBondContact OE2-N 2.87Å; R460-G462 PolarHBondContact NH2-O 3.03Å; R460-G462 VanDerWaalsContact NH2-O 3.16Å
463	M	90.8	Very high	97	Very high	165 Å²	165	31.7 Å²	31.7	81%	0.813	15%	0.154	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.3	-9.2	179.2	-60.9	-57.7	130	0	0	113.6	R461	R461-M463 PolarHBondContact O-N 2.83Å
464	A	94	Very high	96.9	Very high	50 Å²	50	28 Å²	28	41%	0.413	14%	0.144	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	140.1	-175.8	0	0	0	0	0	111.8	R460 R461 L466	R460-A464 VanDerWaalsContact CA-O 3.29Å; R460-A464 WeakPolarHBondContact CA-O 3.2Å; R461-A464 PolarHBondContact N-O 2.81Å; R461-A464 VanDerWaalsContact N-O 3.17Å; R461-A464 WeakPolarHBondContact O-CB 3.32Å; R461-A464 PolarHBondContact O-N 2.83Å; A464-L466 HydrophobicContact CB-CD2 4.4Å
465	Y	96.6	Very high	96.8	Very high	17 Å²	17	32.8 Å²	32.8	7%	0.067	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	143.5	159.8	-67.8	-94.2	0	0	0	108.4	R460 A490 W491 S507 N508 D509	R460-Y465 HydrophobicContact CG-CD1 4.19Å; R460-Y465 HydrophobicContact CG-CE1 4.35Å; R460-Y465 PolarHBondContact NH1-OH 2.84Å; Y465-A490 HydrophobicContact CD1-CB 3.73Å; Y465-A490 HydrophobicContact CE1-CB 3.82Å; Y465-W491 HydrophobicContact CE1-CZ3 4.07Å; Y465-S507 WeakPolarHBondContact CD1-O 3.32Å; Y465-S507 WeakPolarHBondContact CE1-O 3.28Å; Y465-N508 HydrophobicContact CD1-CB 4.09Å; Y465-N508 HydrophobicContact CD2-CB 4.43Å; Y465-N508 HydrophobicContact CE1-CB 4.35Å; Y465-N508 HydrophobicContact CG-CB 4.11Å; Y465-D509 HydrophobicContact CD2-CB 4.44Å; Y465-D509 HydrophobicContact CE2-CB 3.78Å; Y465-D509 WeakPolarHBondContact CE2-OD1 3.39Å; Y465-D509 WeakPolarHBondContact CE2-OD2 3.49Å; Y465-D509 PolarHBondContact OH-OD1 2.93Å
466	L	96.9	Very high	96.8	Very high	14 Å²	14	36.7 Å²	36.7	7%	0.073	20%	0.203	C	C	.	.			trans	-109.3	151.6	-171.2	-55.7	178.3	0	0	0	111.9	V442 C458 G459 R461 A464 E488 R489	V442-L466 HydrophobicContact CB-CD1 4.38Å; V442-L466 HydrophobicContact CG2-CD1 3.85Å; C458-L466 WeakPolarHBondContact CA-O 3.3Å; C458-L466 VanDerWaalsContact CB-O 3.26Å; C458-L466 WeakPolarHBondContact CB-O 3.36Å; G459-L466 PolarHBondContact O-N 2.89Å; R461-L466 HydrophobicContact CB-CD1 4.11Å; R461-L466 HydrophobicContact CB-CD2 4.22Å; A464-L466 HydrophobicContact CB-CD2 4.4Å; L466-E488 VanDerWaalsContact O-CA 3.31Å; L466-E488 WeakPolarHBondContact O-CA 3.5Å; L466-R489 PolarHBondContact O-N 3.2Å
467	R	96.9	Very high	96.8	Very high	104 Å²	104	39.3 Å²	39.3	39%	0.392	22%	0.217	S	C	.	.			trans	-109.1	-8.1	166.9	-60.2	177.5	61.7	-157.8	-9.1	112.6	E484 G485 E488	R467-E484 HydrophobicContact CB-CB 4.13Å; R467-E484 CarbonylContact O-C 3.57Å; R467-E484 WeakPolarHBondContact O-CA 3.41Å; R467-G485 PolarHBondContact NE-O 2.67Å; R467-G485 PolarHBondContact NH2-O 3.49Å; R467-G485 PolarHBondContact O-N 3.4Å; R467-E488 HydrophobicContact CG-CB 3.69Å
468	E	97.8	Very high	96.8	Very high	33 Å²	33	42.3 Å²	42.3	15%	0.154	23%	0.233	C	C	.	.			trans	-54.4	142.2	-176	-60.3	178	-171.7	0	0	110.4	K440 A457 C458 R461 Y470	K440-E468 IonicContact NZ-OE1 2.82Å; A457-E468 WeakPolarHBondContact CA-O 3.3Å; C458-E468 PolarHBondContact N-O 3.39Å; R461-E468 IonicContact CZ-OE1 3.43Å; R461-E468 IonicContact CZ-OE2 3.17Å; R461-E468 IonicContact NH1-OE1 3.43Å; R461-E468 PolarHBondContact NH1-OE1 2.83Å; R461-E468 IonicContact NH1-OE2 3.53Å; R461-E468 PolarHBondContact NH1-OE2 3.16Å; R461-E468 IonicContact NH2-OE1 3.07Å; R461-E468 IonicContact NH2-OE2 3.2Å; R461-E468 PolarHBondContact NH2-OE2 3.37Å; E468-Y470 HydrophobicContact CB-CD2 4.46Å; E468-Y470 HydrophobicContact CB-CE2 3.74Å; E468-Y470 HydrophobicContact CG-CE2 4.5Å; E468-Y470 WeakPolarHBondContact OE2-CE2 3.38Å; E468-Y470 PolarHBondContact OE2-OH 2.93Å
469	T	98.1	Very high	96.8	Very high	4 Å²	4	42.3 Å²	42.3	3%	0.025	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	130	173.5	-58.1	0	0	0	0	108	V456 A457 C482 A483 W530	V456-T469 CarbonylContact O-C 3.54Å; V456-T469 WeakPolarHBondContact O-CA 3.48Å; A457-T469 HydrophobicContact CB-CG2 4.21Å; T469-C482 HydrophobicContact CG2-CB 3.87Å; T469-C482 PolarHBondContact O-N 2.96Å; T469-A483 WeakPolarHBondContact CB-O 3.4Å; T469-A483 PolarHBondContact OG1-O 2.88Å; T469-W530 HydrophobicContact CG2-CZ2 4Å
470	Y	98.1	Very high	96.8	Very high	32 Å²	32	46.3 Å²	46.3	13%	0.125	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	147.6	177.5	-61.5	-84.4	0	0	0	110.6	K439 Y455 V456 E468 T480 A481	K439-Y470 HydrophobicContact CB-CE1 4.39Å; K439-Y470 HydrophobicContact CG-CE1 4.47Å; Y455-Y470 WeakPolarHBondContact CA-O 3.49Å; V456-Y470 PolarHBondContact N-O 3.03Å; V456-Y470 PolarHBondContact O-N 3.41Å; E468-Y470 HydrophobicContact CB-CD2 4.46Å; E468-Y470 HydrophobicContact CB-CE2 3.74Å; E468-Y470 HydrophobicContact CG-CE2 4.5Å; E468-Y470 WeakPolarHBondContact OE2-CE2 3.38Å; E468-Y470 PolarHBondContact OE2-OH 2.93Å; Y470-T480 WeakPolarHBondContact CA-O 3.4Å; Y470-A481 HydrophobicContact CD1-CB 4.19Å; Y470-A481 HydrophobicContact CE1-CB 4.08Å
471	C	98.4	Very high	96.9	Very high	7 Å²	7	48.6 Å²	48.6	5%	0.047	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	123.8	174.8	175.8	0	0	0	0	108.9	I454 Y455 W479 T480 C482	I454-C471 CarbonylContact O-C 3.57Å; I454-C471 VanDerWaalsContact O-CA 3.31Å; I454-C471 WeakPolarHBondContact O-CA 3.41Å; Y455-C471 HydrophobicContact CD1-CB 3.89Å; Y455-C471 HydrophobicContact CE1-CB 3.74Å; C471-W479 CarbonylContact O-C 3.49Å; C471-W479 WeakPolarHBondContact O-CA 3.34Å; C471-T480 PolarHBondContact N-O 3.16Å; C471-T480 PolarHBondContact O-N 3.18Å; C471-C482 VanDerWaalsContact CB-SG 3.55Å
472	Y	98.8	Very high	97	Very high	2 Å²	2	47.8 Å²	47.8	1%	0.008	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	129.3	169.6	179.3	-112.2	0	0	0	109.9	Y408 I454 P474 D477 D478 W479	Y408-Y472 HydrophobicContact CD1-CE1 4.07Å; Y408-Y472 AromaticContact CE1-CE1 3.72Å; Y408-Y472 HydrophobicContact CE1-CE1 3.72Å; I454-Y472 HydrophobicContact CD1-CD1 3.91Å; I454-Y472 HydrophobicContact CG1-CD1 4.3Å; I454-Y472 PolarHBondContact N-O 3.02Å; I454-Y472 PolarHBondContact O-N 2.92Å; Y472-P474 HydrophobicContact CD1-CG 3.83Å; Y472-P474 HydrophobicContact CE1-CB 3.95Å; Y472-P474 HydrophobicContact CE1-CG 3.68Å; Y472-P474 WeakPolarHBondContact O-CD 3.34Å; Y472-D477 WeakPolarHBondContact CE2-OD1 3.41Å; Y472-D477 PolarHBondContact OH-OD1 2.8Å; Y472-D478 WeakPolarHBondContact CA-O 3.45Å; Y472-W479 AromaticContact CD2-CD1 3.69Å; Y472-W479 AromaticContact CD2-CD2 3.93Å; Y472-W479 HydrophobicContact CD2-CD2 3.93Å; Y472-W479 AromaticContact CD2-CE2 3.55Å; Y472-W479 HydrophobicContact CD2-CG 4.03Å; Y472-W479 HydrophobicContact CD2-CZ2 4.09Å; Y472-W479 AromaticContact CD2-NE1 3.38Å; Y472-W479 AromaticContact CE2-NE1 3.94Å; Y472-W479 HydrophobicContact CG-CD2 4.22Å; Y472-W479 AromaticContact CG-CE2 3.85Å; Y472-W479 HydrophobicContact CG-CH2 4.39Å; Y472-W479 AromaticContact CG-CZ2 3.95Å; Y472-W479 HydrophobicContact CG-CZ2 3.95Å
473	D	98.1	Very high	97.3	Very high	20 Å²	20	48 Å²	48	11%	0.107	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	106.6	170.8	-170.8	-26.4	0	0	0	109.4	R453 S475 T476 D477 D478	R453-D473 IonicContact CZ-OD2 3.64Å; R453-D473 IonicContact NE-OD2 3.28Å; R453-D473 PolarHBondContact NE-OD2 2.9Å; R453-D473 IonicContact NH2-OD2 3.39Å; R453-D473 PolarHBondContact NH2-OD2 2.86Å; D473-S475 VanDerWaalsContact CG-OG 3.28Å; D473-S475 PolarHBondContact O-N 2.78Å; D473-S475 VanDerWaalsContact O-N 3.15Å; D473-S475 VanDerWaalsContact OD1-CB 3.3Å; D473-S475 WeakPolarHBondContact OD1-CB 3.39Å; D473-S475 PolarHBondContact OD1-N 3.38Å; D473-S475 PolarHBondContact OD1-OG 3.38Å; D473-S475 PolarHBondContact OD2-OG 2.81Å; D473-T476 PolarHBondContact O-N 2.94Å; D473-T476 PolarHBondContact O-OG1 2.95Å; D473-D477 PolarHBondContact O-N 2.76Å; D473-D478 PolarHBondContact N-O 3.37Å; D473-D478 PolarHBondContact O-N 2.89Å
474	P	97.3	Very high	97.5	Very high	30 Å²	30	45.5 Å²	45.5	20%	0.195	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-19	179.4	-23.2	33.7	0	0	0	114.5	V403 Y472	V403-P474 HydrophobicContact CB-CG 4.18Å; V403-P474 HydrophobicContact CG1-CG 3.84Å; Y472-P474 HydrophobicContact CD1-CG 3.83Å; Y472-P474 HydrophobicContact CE1-CB 3.95Å; Y472-P474 HydrophobicContact CE1-CG 3.68Å; Y472-P474 WeakPolarHBondContact O-CD 3.34Å
475	S	97.1	Very high	97.4	Very high	102 Å²	102	43.1 Å²	43.1	71%	0.713	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76	-28.7	179.1	71.5	0	0	0	0	112.7	D473	D473-S475 VanDerWaalsContact CG-OG 3.28Å; D473-S475 PolarHBondContact O-N 2.78Å; D473-S475 VanDerWaalsContact O-N 3.15Å; D473-S475 VanDerWaalsContact OD1-CB 3.3Å; D473-S475 WeakPolarHBondContact OD1-CB 3.39Å; D473-S475 PolarHBondContact OD1-N 3.38Å; D473-S475 PolarHBondContact OD1-OG 3.38Å; D473-S475 PolarHBondContact OD2-OG 2.81Å
476	T	97.6	Very high	97.1	Very high	93 Å²	93	44.5 Å²	44.5	57%	0.571	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.8	-7.6	176.6	61.2	0	0	0	0	112.9	D473 D478	D473-T476 PolarHBondContact O-N 2.94Å; D473-T476 PolarHBondContact O-OG1 2.95Å; T476-D478 VanDerWaalsContact C-N 3.31Å; T476-D478 PolarHBondContact O-N 2.83Å
477	D	98.1	Very high	97	Very high	59 Å²	59	44.4 Å²	44.4	32%	0.316	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.3	51.9	-171.9	-175.7	34	0	0	0	111.1	V435 S436 Y472 D473	V435-D477 WeakPolarHBondContact CB-OD1 3.31Å; S436-D477 WeakPolarHBondContact CB-O 3.41Å; S436-D477 WeakPolarHBondContact CB-OD1 3.48Å; S436-D477 PolarHBondContact N-OD1 3.05Å; S436-D477 PolarHBondContact N-OD2 2.87Å; S436-D477 PolarHBondContact OG-O 2.9Å; S436-D477 PolarHBondContact OG-OD1 3.34Å; S436-D477 PolarHBondContact OG-OD2 2.92Å; Y472-D477 WeakPolarHBondContact CE2-OD1 3.41Å; Y472-D477 PolarHBondContact OH-OD1 2.8Å; D473-D477 PolarHBondContact O-N 2.76Å
478	D	98.2	Very high	96.9	Very high	62 Å²	62	42.5 Å²	42.5	33%	0.332	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	153.9	-179.4	-168.3	33.4	0	0	0	112.9	K439 Y472 D473 T476	K439-D478 IonicContact NZ-OD1 3.81Å; K439-D478 PolarHBondContact NZ-OD1 3.17Å; Y472-D478 WeakPolarHBondContact CA-O 3.45Å; D473-D478 PolarHBondContact N-O 3.37Å; D473-D478 PolarHBondContact O-N 2.89Å; T476-D478 VanDerWaalsContact C-N 3.31Å; T476-D478 PolarHBondContact O-N 2.83Å
479	W	98.5	Very high	96.9	Very high	5 Å²	5	41 Å²	41	2%	0.019	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	124.5	179.8	-71.4	91.6	0	0	0	111.1	I410 V422 S436 M438 K439 V456 C471 Y472	I410-W479 HydrophobicContact CD1-CH2 4.39Å; I410-W479 HydrophobicContact CG2-CH2 3.92Å; I410-W479 HydrophobicContact CG2-CZ2 4.05Å; V422-W479 HydrophobicContact CG2-CZ2 3.79Å; S436-W479 PolarHBondContact O-NE1 3.36Å; M438-W479 HydrophobicContact CG-CD2 4.23Å; M438-W479 HydrophobicContact CG-CH2 4.05Å; M438-W479 HydrophobicContact CG-CZ2 3.66Å; M438-W479 HydrophobicContact CG-CZ3 4.49Å; M438-W479 HydrophobicContact SD-CH2 4.42Å; K439-W479 WeakPolarHBondContact CE-O 3.26Å; K439-W479 HydrophobicContact CG-CB 4.29Å; V456-W479 HydrophobicContact CB-CZ3 4.3Å; V456-W479 HydrophobicContact CG2-CH2 3.96Å; V456-W479 HydrophobicContact CG2-CZ3 4.15Å; C471-W479 CarbonylContact O-C 3.49Å; C471-W479 WeakPolarHBondContact O-CA 3.34Å; Y472-W479 AromaticContact CD2-CD1 3.69Å; Y472-W479 AromaticContact CD2-CD2 3.93Å; Y472-W479 HydrophobicContact CD2-CD2 3.93Å; Y472-W479 AromaticContact CD2-CE2 3.55Å; Y472-W479 HydrophobicContact CD2-CG 4.03Å; Y472-W479 HydrophobicContact CD2-CZ2 4.09Å; Y472-W479 AromaticContact CD2-NE1 3.38Å; Y472-W479 AromaticContact CE2-NE1 3.94Å; Y472-W479 HydrophobicContact CG-CD2 4.22Å; Y472-W479 AromaticContact CG-CE2 3.85Å; Y472-W479 HydrophobicContact CG-CH2 4.39Å; Y472-W479 AromaticContact CG-CZ2 3.95Å; Y472-W479 HydrophobicContact CG-CZ2 3.95Å
480	T	98	Very high	96.9	Very high	85 Å²	85	40.8 Å²	40.8	52%	0.521	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	138.7	175	-56.5	0	0	0	0	110.6	Y470 C471	Y470-T480 WeakPolarHBondContact CA-O 3.4Å; C471-T480 PolarHBondContact N-O 3.16Å; C471-T480 PolarHBondContact O-N 3.18Å
481	A	98	Very high	96.8	Very high	68 Å²	68	40.5 Å²	40.5	56%	0.562	24%	0.243	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-73.4	135.8	173.1	0	0	0	0	0	111.1	Y470	Y470-A481 HydrophobicContact CD1-CB 4.19Å; Y470-A481 HydrophobicContact CE1-CB 4.08Å
482	C	98.1	Very high	96.8	Very high	24 Å²	24	40.7 Å²	40.7	16%	0.162	24%	0.244	C	C	.	.			trans	-107.2	178.2	175.2	-65.3	0	0	0	0	110.7	T469 C471 E484 F523 N528	T469-C482 HydrophobicContact CG2-CB 3.87Å; T469-C482 PolarHBondContact O-N 2.96Å; C471-C482 VanDerWaalsContact CB-SG 3.55Å; C482-E484 PolarHBondContact O-N 3.2Å; C482-F523 HydrophobicContact CB-CE2 4.17Å; C482-F523 HydrophobicContact CB-CZ 3.82Å; C482-N528 WeakPolarHBondContact CB-OD1 3.5Å
483	A	97.8	Very high	96.8	Very high	31 Å²	31	40.9 Å²	40.9	26%	0.256	25%	0.246	S	C	.	.	P	Polyproline II helix	trans	-58.3	136.4	169.8	0	0	0	0	0	111	T469 F523 N528 W530	T469-A483 WeakPolarHBondContact CB-O 3.4Å; T469-A483 PolarHBondContact OG1-O 2.88Å; A483-F523 HydrophobicContact CB-CE2 4.37Å; A483-N528 WeakPolarHBondContact CB-O 3.32Å; A483-N528 PolarHBondContact N-OD1 3.07Å; A483-W530 PolarHBondContact O-NE1 3.29Å
484	E	96.3	Very high	96.8	Very high	113 Å²	113	40.6 Å²	40.6	53%	0.528	24%	0.244	S	C	.	.	P	Polyproline II helix	trans	-68.8	142	-179.9	-65.1	-174.8	170.5	0	0	111.8	R467 C482 W530	R467-E484 HydrophobicContact CB-CB 4.13Å; R467-E484 CarbonylContact O-C 3.57Å; R467-E484 WeakPolarHBondContact O-CA 3.41Å; C482-E484 PolarHBondContact O-N 3.2Å; E484-W530 VanDerWaalsContact C-CD1 3.49Å
485	G	90.1	Very high	96.8	Very high	1 Å²	1	39.5 Å²	39.5	1%	0.01	24%	0.237	C	C	.	.	P	Polyproline II helix	trans	-59.3	156.3	176.8	0	0	0	0	0	112.4	R467 V487	R467-G485 PolarHBondContact NE-O 2.67Å; R467-G485 PolarHBondContact NH2-O 3.49Å; R467-G485 PolarHBondContact O-N 3.4Å; G485-V487 VanDerWaalsContact C-N 3.32Å; G485-V487 PolarHBondContact O-N 2.83Å
486	P	91.1	Very high	96.8	Very high	45 Å²	45	36.1 Å²	36.1	29%	0.292	22%	0.216	S	C	.	.	S	Bend	trans	-74.7	-21.1	-173.8	28.2	-33.8	0	0	0	113.6	A521 W530 L532	P486-A521 HydrophobicContact CG-CB 3.54Å; P486-W530 HydrophobicContact CG-CB 4.45Å; P486-L532 HydrophobicContact CB-CD2 3.95Å; P486-L532 HydrophobicContact CB-CG 4.31Å; P486-L532 HydrophobicContact CG-CD2 3.67Å; P486-L532 HydrophobicContact CG-CG 4.37Å
487	V	94.3	Very high	96.8	Very high	12 Å²	12	32.2 Å²	32.2	7%	0.073	19%	0.193	C	C	.	.	S	Bend	trans	-142.3	127.7	-174.9	-176.9	0	0	0	0	109.6	G485 V517 Q519	G485-V487 VanDerWaalsContact C-N 3.32Å; G485-V487 PolarHBondContact O-N 2.83Å; V487-V517 HydrophobicContact CG1-CG1 3.81Å; V487-Q519 HydrophobicContact CG2-CB 4.28Å; V487-Q519 HydrophobicContact CG2-CG 4.42Å
488	E	95.6	Very high	96.6	Very high	64 Å²	64	33.2 Å²	33.2	30%	0.299	20%	0.198	S	C	.	.			trans	-66.5	133.2	174.1	70.2	-156.6	145.4	0	0	110.9	L466 R467 N508 Q510	L466-E488 VanDerWaalsContact O-CA 3.31Å; L466-E488 WeakPolarHBondContact O-CA 3.5Å; R467-E488 HydrophobicContact CG-CB 3.69Å; E488-N508 HydrophobicContact CG-CB 4.36Å; E488-N508 VanDerWaalsContact O-CB 3.26Å; E488-N508 WeakPolarHBondContact O-CB 3.26Å; E488-N508 PolarHBondContact O-ND2 2.77Å; E488-Q510 HydrophobicContact CG-CG 4.46Å; E488-Q510 WeakPolarHBondContact OE1-CG 3.41Å; E488-Q510 PolarHBondContact OE1-NE2 3.32Å
489	R	97.2	Very high	96.5	Very high	1 Å²	1	32.3 Å²	32.3	0%	0.004	20%	0.204	C	C	.	.			trans	-162.7	163.2	-176.6	66	-178.8	73.3	-158.5	8.6	113.1	C458 G459 L466 H492 V503 G505 S507 V517 Q519	C458-R489 HydrophobicContact CB-CG 3.79Å; C458-R489 VanDerWaalsContact CB-O 3.25Å; C458-R489 WeakPolarHBondContact CB-O 3.46Å; G459-R489 WeakPolarHBondContact CA-O 3.47Å; G459-R489 PolarHBondContact N-O 2.9Å; L466-R489 PolarHBondContact O-N 3.2Å; R489-H492 HydrophobicContact CG-CB 4.27Å; R489-V503 VanDerWaalsContact CD-CG1 3.48Å; R489-V503 HydrophobicContact CG-CG1 4.5Å; R489-G505 WeakPolarHBondContact CD-O 3.47Å; R489-G505 PolarHBondContact NH1-O 3.08Å; R489-S507 WeakPolarHBondContact CA-O 3.25Å; R489-V517 HydrophobicContact CB-CG2 4.15Å; R489-V517 VanDerWaalsContact NH1-CG1 3.31Å; R489-V517 VanDerWaalsContact NH2-CG1 3.32Å; R489-Q519 VanDerWaalsContact CZ-O 3.3Å; R489-Q519 PolarHBondContact NH1-O 3.23Å; R489-Q519 PolarHBondContact NH2-O 2.61Å
490	A	97.6	Very high	96.5	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	22%	0.219	C	C	.	.	B	Isolated β-bridge	trans	-147.1	166.4	172	0	0	0	0	0	111.8	A444 R460 Y465 H492 G506 S507	A444-A490 HydrophobicContact CB-CB 4.02Å; A444-A490 CarbonylContact O-C 3.5Å; A444-A490 WeakPolarHBondContact O-CA 3.31Å; R460-A490 HydrophobicContact CG-CB 3.47Å; R460-A490 VanDerWaalsContact CG-CB 3.47Å; Y465-A490 HydrophobicContact CD1-CB 3.73Å; Y465-A490 HydrophobicContact CE1-CB 3.82Å; A490-H492 PolarHBondContact O-N 3.47Å; A490-G506 CarbonylContact O-C 3.59Å; A490-G506 VanDerWaalsContact O-CA 3.25Å; A490-G506 WeakPolarHBondContact O-CA 3.18Å; A490-S507 PolarHBondContact N-O 2.87Å; A490-S507 PolarHBondContact O-N 2.84Å
491	W	97.1	Very high	96.5	Very high	26 Å²	26	32.4 Å²	32.4	10%	0.098	20%	0.195	C	C	.	.	S	Bend	trans	53.7	40.7	-172.3	-58.2	-82.9	0	0	0	111.8	Y443 A444 R460 Y465 G506 R514 G541 E542	Y443-W491 HydrophobicContact CE2-CZ2 4.18Å; A444-W491 HydrophobicContact CB-CD2 3.71Å; A444-W491 HydrophobicContact CB-CE3 4.39Å; A444-W491 HydrophobicContact CB-CG 3.86Å; A444-W491 HydrophobicContact CB-CZ2 4.14Å; A444-W491 PolarHBondContact O-N 3.3Å; R460-W491 HydrophobicContact CG-CZ3 4.5Å; Y465-W491 HydrophobicContact CE1-CZ3 4.07Å; W491-G506 VanDerWaalsContact O-CA 3.31Å; W491-G506 WeakPolarHBondContact O-CA 3.48Å; W491-R514 VanDerWaalsContact CD2-NH2 3.33Å; W491-R514 VanDerWaalsContact CE3-CZ 3.41Å; W491-R514 VanDerWaalsContact CZ3-NH1 3.27Å; W491-G541 CarbonylContact O-C 3.52Å; W491-G541 WeakPolarHBondContact O-CA 3.38Å; W491-E542 HydrophobicContact CB-CG 3.77Å; W491-E542 HydrophobicContact CG-CG 3.97Å; W491-E542 PolarHBondContact O-N 3.06Å
492	H	98.2	Very high	96.5	Very high	12 Å²	12	29.6 Å²	29.6	6%	0.056	17%	0.17	C	C	.	.			trans	-100.4	169.5	178.7	63.3	-77.9	0	0	0	109.6	A457 R489 A490 I504 G505	A457-H492 PolarHBondContact O-CE1 3.25Å; A457-H492 PolarHBondContact O-NE2 3.26Å; R489-H492 HydrophobicContact CG-CB 4.27Å; A490-H492 PolarHBondContact O-N 3.47Å; H492-I504 WeakPolarHBondContact CB-O 3.41Å; H492-G505 WeakPolarHBondContact CB-O 3.39Å
493	G	97.9	Very high	96.5	Very high	5 Å²	5	28.7 Å²	28.7	5%	0.052	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	150.6	171.4	0	0	0	0	0	112.1	I504	G493-I504 PolarHBondContact N-O 2.97Å; G493-I504 PolarHBondContact O-N 2.91Å
494	M	98.1	Very high	96.5	Very high	15 Å²	15	27.2 Å²	27.2	7%	0.074	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	148.2	168.1	-77.7	175.3	69.7	0	0	111.4	A446 A448 A457 V501 Y502 V503	A446-M494 HydrophobicContact CB-CB 3.75Å; A446-M494 HydrophobicContact CB-CG 3.66Å; A446-M494 HydrophobicContact CB-SD 3.86Å; A448-M494 HydrophobicContact CB-CB 4.21Å; A448-M494 HydrophobicContact CB-CE 4.39Å; A457-M494 HydrophobicContact CB-CE 3.9Å; A457-M494 HydrophobicContact CB-SD 3.73Å; M494-V501 HydrophobicContact CE-CG1 3.31Å; M494-Y502 WeakPolarHBondContact CA-O 3.25Å; M494-Y502 WeakPolarHBondContact CG-O 3.48Å; M494-V503 HydrophobicContact CE-CG2 4.13Å; M494-V503 HydrophobicContact CG-CB 4.44Å; M494-V503 HydrophobicContact CG-CG2 3.61Å; M494-V503 HydrophobicContact SD-CG2 3.85Å
495	A	97.9	Very high	96.6	Very high	6 Å²	6	21.8 Å²	21.8	5%	0.05	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	149.4	177.5	0	0	0	0	0	110.2	V501 Y502 I545 V547 I552	A495-V501 CarbonylContact O-C 3.54Å; A495-V501 WeakPolarHBondContact O-CA 3.37Å; A495-Y502 PolarHBondContact N-O 2.84Å; A495-Y502 PolarHBondContact O-N 2.84Å; A495-I545 HydrophobicContact CB-CG2 3.79Å; A495-V547 HydrophobicContact CB-CG2 3.59Å; A495-I552 HydrophobicContact CB-CD1 4.06Å; A495-I552 HydrophobicContact CB-CG1 4.28Å; A495-I552 HydrophobicContact CB-CG2 3.86Å
496	A	97.7	Very high	97	Very high	31 Å²	31	21.8 Å²	21.8	26%	0.256	13%	0.125	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	130.6	166.9	0	0	0	0	0	109.5	A448 V449 L450 R500	A448-A496 HydrophobicContact CB-CB 4.27Å; V449-A496 WeakPolarHBondContact O-CB 3.45Å; L450-A496 HydrophobicContact CB-CB 4.43Å; A496-R500 VanDerWaalsContact CA-O 3.3Å; A496-R500 WeakPolarHBondContact CA-O 3.42Å
497	A	97.1	Very high	97.2	Very high	12 Å²	12	19.6 Å²	19.6	10%	0.099	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	149.2	177.6	0	0	0	0	0	109.1	G499 R500 Y502 V547 I552 T574	A497-G499 PolarHBondContact O-N 3.43Å; A497-R500 PolarHBondContact N-O 2.85Å; A497-R500 PolarHBondContact O-N 2.79Å; A497-R500 VanDerWaalsContact O-O 3.09Å; A497-Y502 HydrophobicContact CB-CD2 4.41Å; A497-Y502 HydrophobicContact CB-CE2 4.01Å; A497-Y502 WeakPolarHBondContact O-CE2 3.32Å; A497-V547 HydrophobicContact CB-CG1 4.22Å; A497-I552 HydrophobicContact CB-CD1 4.29Å; A497-I552 HydrophobicContact CB-CG1 4.34Å; A497-T574 HydrophobicContact CB-CG2 3.95Å
498	N	94.4	Very high	97.3	Very high	79 Å²	79	19.5 Å²	19.5	42%	0.422	11%	0.11	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.6	41.2	175	-71.3	-2.6	0	0	0	114.8	R500 S550 T574 D575	N498-R500 VanDerWaalsContact C-N 3.29Å; N498-R500 PolarHBondContact O-N 2.92Å; N498-S550 PolarHBondContact OD1-OG 2.82Å; N498-T574 PolarHBondContact ND2-OG1 2.78Å; N498-D575 PolarHBondContact ND2-OD1 3.14Å
499	G	95.5	Very high	97.1	Very high	43 Å²	43	19.4 Å²	19.4	44%	0.443	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.8	11.8	178	0	0	0	0	0	115.5	L450 A497	L450-G499 WeakPolarHBondContact CD2-O 3.42Å; A497-G499 PolarHBondContact O-N 3.43Å
500	R	97.4	Very high	95.9	Very high	92 Å²	92	24.8 Å²	24.8	35%	0.347	14%	0.137	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	160.4	-177.7	-65.3	-178.3	176.5	-177.7	1.3	111.8	A496 A497 N498 Y502 C522	A496-R500 VanDerWaalsContact CA-O 3.3Å; A496-R500 WeakPolarHBondContact CA-O 3.42Å; A497-R500 PolarHBondContact N-O 2.85Å; A497-R500 PolarHBondContact O-N 2.79Å; A497-R500 VanDerWaalsContact O-O 3.09Å; N498-R500 VanDerWaalsContact C-N 3.29Å; N498-R500 PolarHBondContact O-N 2.92Å; R500-Y502 HydrophobicContact CB-CE2 3.89Å; R500-C522 HydrophobicContact CB-CB 4.4Å
501	V	98.3	Very high	94.4	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.006	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	127.6	173.6	172.9	0	0	0	0	109.8	A448 L450 Y455 M494 A495 C522 F523	A448-V501 HydrophobicContact CB-CG1 3.85Å; A448-V501 HydrophobicContact CB-CG2 4.28Å; L450-V501 HydrophobicContact CB-CG2 3.88Å; L450-V501 HydrophobicContact CD2-CG2 3.94Å; Y455-V501 HydrophobicContact CD2-CG2 4.03Å; Y455-V501 HydrophobicContact CG-CG2 4.27Å; M494-V501 HydrophobicContact CE-CG1 3.31Å; A495-V501 CarbonylContact O-C 3.54Å; A495-V501 WeakPolarHBondContact O-CA 3.37Å; V501-C522 CarbonylContact O-C 3.59Å; V501-C522 WeakPolarHBondContact O-CA 3.31Å; V501-F523 HydrophobicContact CB-CB 4.35Å; V501-F523 PolarHBondContact N-O 3.45Å; V501-F523 VanDerWaalsContact N-O 3.1Å; V501-F523 PolarHBondContact O-N 3.08Å
502	Y	98.6	Very high	93.6	Very high	9 Å²	9	36.6 Å²	36.6	4%	0.035	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	141	-177.6	-64.1	-102.3	0	0	0	110.6	M494 A495 A497 R500 L520 A521 C522 L533 I552 Y572 T574	M494-Y502 WeakPolarHBondContact CA-O 3.25Å; M494-Y502 WeakPolarHBondContact CG-O 3.48Å; A495-Y502 PolarHBondContact N-O 2.84Å; A495-Y502 PolarHBondContact O-N 2.84Å; A497-Y502 HydrophobicContact CB-CD2 4.41Å; A497-Y502 HydrophobicContact CB-CE2 4.01Å; A497-Y502 WeakPolarHBondContact O-CE2 3.32Å; R500-Y502 HydrophobicContact CB-CE2 3.89Å; Y502-L520 HydrophobicContact CD1-CD1 4.24Å; Y502-A521 CarbonylContact C-O 3.58Å; Y502-A521 WeakPolarHBondContact CA-O 3.4Å; Y502-C522 HydrophobicContact CD1-CB 3.77Å; Y502-C522 HydrophobicContact CE1-CB 3.76Å; Y502-C522 HydrophobicContact CG-CB 4.23Å; Y502-L533 HydrophobicContact CD1-CD1 3.89Å; Y502-L533 HydrophobicContact CE1-CD1 3.55Å; Y502-I552 HydrophobicContact CD1-CD1 4.1Å; Y502-I552 HydrophobicContact CD2-CD1 3.67Å; Y502-I552 HydrophobicContact CE2-CD1 4.21Å; Y502-I552 HydrophobicContact CG-CD1 3.61Å; Y502-Y572 HydrophobicContact CD1-CE1 4.26Å; Y502-Y572 HydrophobicContact CE1-CD1 4.32Å; Y502-Y572 AromaticContact CE1-CE1 3.77Å; Y502-Y572 HydrophobicContact CE1-CE1 3.77Å; Y502-T574 HydrophobicContact CE1-CG2 4.32Å; Y502-T574 HydrophobicContact CE2-CG2 4.23Å
503	V	98.5	Very high	93	Very high	4 Å²	4	42.1 Å²	42.1	2%	0.024	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	119	173.6	165.4	0	0	0	0	108.5	A457 R489 M494 L520 A521 W530	A457-V503 HydrophobicContact CB-CG2 4.15Å; R489-V503 VanDerWaalsContact CD-CG1 3.48Å; R489-V503 HydrophobicContact CG-CG1 4.5Å; M494-V503 HydrophobicContact CE-CG2 4.13Å; M494-V503 HydrophobicContact CG-CB 4.44Å; M494-V503 HydrophobicContact CG-CG2 3.61Å; M494-V503 HydrophobicContact SD-CG2 3.85Å; V503-L520 VanDerWaalsContact O-CD1 3.26Å; V503-L520 WeakPolarHBondContact O-CD1 3.48Å; V503-A521 PolarHBondContact N-O 3.17Å; V503-A521 PolarHBondContact O-N 2.84Å; V503-W530 HydrophobicContact CB-CH2 4.26Å; V503-W530 HydrophobicContact CB-CZ3 4.03Å; V503-W530 HydrophobicContact CG2-CH2 3.36Å; V503-W530 HydrophobicContact CG2-CZ2 4.45Å; V503-W530 HydrophobicContact CG2-CZ3 3.62Å
504	I	98.4	Very high	92.7	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	129.2	-166.1	-60.7	153.6	0	0	0	110.4	H492 G493 L520 L536 I552 V554 W579	H492-I504 WeakPolarHBondContact CB-O 3.41Å; G493-I504 PolarHBondContact N-O 2.97Å; G493-I504 PolarHBondContact O-N 2.91Å; I504-L520 HydrophobicContact CB-CD1 4.28Å; I504-L520 HydrophobicContact CD1-CD1 4.3Å; I504-L520 HydrophobicContact CG1-CD1 3.26Å; I504-L536 HydrophobicContact CG2-CD1 3.73Å; I504-L536 HydrophobicContact CG2-CD2 4.1Å; I504-L536 HydrophobicContact CG2-CG 4.12Å; I504-I552 HydrophobicContact CD1-CB 4.37Å; I504-I552 HydrophobicContact CD1-CD1 4.19Å; I504-I552 HydrophobicContact CD1-CG2 3.56Å; I504-V554 HydrophobicContact CG2-CG1 4.17Å; I504-V554 HydrophobicContact CG2-CG2 3.73Å; I504-W579 HydrophobicContact CG2-CH2 4.12Å
505	G	97.6	Very high	92.5	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	25%	0.247	C	C	.	.			trans	71.4	-148.7	171.3	0	0	0	0	0	114	R489 H492 V517 L536 H540	R489-G505 WeakPolarHBondContact CD-O 3.47Å; R489-G505 PolarHBondContact NH1-O 3.08Å; H492-G505 WeakPolarHBondContact CB-O 3.39Å; G505-V517 CarbonylContact C-O 3.59Å; G505-V517 WeakPolarHBondContact CA-O 3.47Å; G505-L536 VanDerWaalsContact CA-CD1 3.43Å; G505-L536 VanDerWaalsContact N-CD1 3.35Å; G505-H540 WeakPolarHBondContact CA-O 2.99Å
506	G	97.4	Very high	92.5	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.25	C	C	.	.			trans	84.4	-165.1	-173.1	0	0	0	0	0	113.9	A490 W491 V517 H540	A490-G506 CarbonylContact O-C 3.59Å; A490-G506 VanDerWaalsContact O-CA 3.25Å; A490-G506 WeakPolarHBondContact O-CA 3.18Å; W491-G506 VanDerWaalsContact O-CA 3.31Å; W491-G506 WeakPolarHBondContact O-CA 3.48Å; G506-V517 PolarHBondContact O-N 3.43Å; G506-H540 PolarHBondContact N-O 2.85Å
507	S	96.5	Very high	92.4	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	157.7	-175.3	54.7	0	0	0	0	112.1	Y465 R489 A490 R514 R515	Y465-S507 WeakPolarHBondContact CD1-O 3.32Å; Y465-S507 WeakPolarHBondContact CE1-O 3.28Å; R489-S507 WeakPolarHBondContact CA-O 3.25Å; A490-S507 PolarHBondContact N-O 2.87Å; A490-S507 PolarHBondContact O-N 2.84Å; S507-R514 VanDerWaalsContact OG-CZ 3.32Å; S507-R514 PolarHBondContact OG-NE 2.8Å; S507-R514 PolarHBondContact OG-NH2 2.89Å; S507-R515 WeakPolarHBondContact CA-O 3.44Å; S507-R515 WeakPolarHBondContact CB-O 3.42Å
508	N	95.3	Very high	92.4	Very high	9 Å²	9	50 Å²	50	5%	0.048	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	174.2	171.6	71.7	19.9	0	0	0	111.7	Y465 E488 R514 R515 V517	Y465-N508 HydrophobicContact CD1-CB 4.09Å; Y465-N508 HydrophobicContact CD2-CB 4.43Å; Y465-N508 HydrophobicContact CE1-CB 4.35Å; Y465-N508 HydrophobicContact CG-CB 4.11Å; E488-N508 HydrophobicContact CG-CB 4.36Å; E488-N508 VanDerWaalsContact O-CB 3.26Å; E488-N508 WeakPolarHBondContact O-CB 3.26Å; E488-N508 PolarHBondContact O-ND2 2.77Å; N508-R514 WeakPolarHBondContact O-CA 3.11Å; N508-R515 PolarHBondContact N-O 3Å; N508-R515 PolarHBondContact O-N 3.37Å; N508-V517 HydrophobicContact CB-CG2 3.97Å; N508-V517 WeakPolarHBondContact ND2-CG2 3.3Å
509	D	91.4	Very high	92.6	Very high	63 Å²	63	50.3 Å²	50.3	34%	0.337	25%	0.248	S	C	.	.			trans	-113.1	25.6	-175.2	-61.7	-2.5	0	0	0	113.1	Y465 R511 G512 R514	Y465-D509 HydrophobicContact CD2-CB 4.44Å; Y465-D509 HydrophobicContact CE2-CB 3.78Å; Y465-D509 WeakPolarHBondContact CE2-OD1 3.39Å; Y465-D509 WeakPolarHBondContact CE2-OD2 3.49Å; Y465-D509 PolarHBondContact OH-OD1 2.93Å; D509-R511 PolarHBondContact O-N 2.77Å; D509-G512 PolarHBondContact O-N 2.92Å; D509-R514 WeakPolarHBondContact OD1-CA 3.1Å; D509-R514 VanDerWaalsContact OD1-CB 3.25Å; D509-R514 WeakPolarHBondContact OD1-CB 3.35Å
510	Q	72.1	Confident	92.7	Very high	114 Å²	114	48.2 Å²	48.2	53%	0.533	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-14.2	-171.9	-80.3	-172.8	-9.9	0	0	115.9	E488	E488-Q510 HydrophobicContact CG-CG 4.46Å; E488-Q510 WeakPolarHBondContact OE1-CG 3.41Å; E488-Q510 PolarHBondContact OE1-NE2 3.32Å
511	R	67.4	Low	92.7	Very high	198 Å²	198	43.9 Å²	43.9	75%	0.747	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-117.9	22.3	178.3	-62.5	-171.3	178.8	-169.6	0.5	113.7	D509 Y513	D509-R511 PolarHBondContact O-N 2.77Å; R511-Y513 VanDerWaalsContact C-N 3.3Å; R511-Y513 HydrophobicContact CB-CE1 4.24Å; R511-Y513 VanDerWaalsContact O-CD1 3.28Å; R511-Y513 WeakPolarHBondContact O-CD1 3.38Å; R511-Y513 WeakPolarHBondContact O-CE1 3.38Å; R511-Y513 PolarHBondContact O-N 2.97Å
512	G	79.9	Confident	92.7	Very high	76 Å²	76	43.9 Å²	43.9	78%	0.784	21%	0.211	S	C	*	.	S	Bend	trans	82.6	2.1	177.6	0	0	0	0	0	114.9	D509	D509-G512 PolarHBondContact O-N 2.92Å
513	Y	85.8	Confident	92.7	Very high	127 Å²	127	43.6 Å²	43.6	50%	0.498	21%	0.21	S	C	.	.	S	Bend	trans	-150.5	155.8	170.7	58.2	-78.3	0	0	0	109.3	R511 R515	R511-Y513 VanDerWaalsContact C-N 3.3Å; R511-Y513 HydrophobicContact CB-CE1 4.24Å; R511-Y513 VanDerWaalsContact O-CD1 3.28Å; R511-Y513 WeakPolarHBondContact O-CD1 3.38Å; R511-Y513 WeakPolarHBondContact O-CE1 3.38Å; R511-Y513 PolarHBondContact O-N 2.97Å; Y513-R515 HydrophobicContact CD2-CG 4.26Å; Y513-R515 HydrophobicContact CE2-CG 4.1Å; Y513-R515 PolarHBondContact O-N 2.84Å; Y513-R515 PolarHBondContact OH-NH1 2.83Å
514	R	91.6	Very high	92.7	Very high	72 Å²	72	45.2 Å²	45.2	27%	0.272	22%	0.219	S	C	.	.			trans	-67.4	125.9	-175.3	-168.1	167.5	171.8	-178.2	-9.4	111.6	W491 S507 N508 D509 H560	W491-R514 VanDerWaalsContact CD2-NH2 3.33Å; W491-R514 VanDerWaalsContact CE3-CZ 3.41Å; W491-R514 VanDerWaalsContact CZ3-NH1 3.27Å; S507-R514 VanDerWaalsContact OG-CZ 3.32Å; S507-R514 PolarHBondContact OG-NE 2.8Å; S507-R514 PolarHBondContact OG-NH2 2.89Å; N508-R514 WeakPolarHBondContact O-CA 3.11Å; D509-R514 WeakPolarHBondContact OD1-CA 3.1Å; D509-R514 VanDerWaalsContact OD1-CB 3.25Å; D509-R514 WeakPolarHBondContact OD1-CB 3.35Å; R514-H560 HydrophobicContact CG-CB 4.46Å; R514-H560 VanDerWaalsContact CZ-NE2 3.32Å; R514-H560 PolarHBondContact NE-CE1 3.43Å; R514-H560 PolarHBondContact NE-NE2 3.05Å; R514-H560 VanDerWaalsContact NE-NE2 3.14Å; R514-H560 PolarHBondContact NH2-CE1 3.18Å; R514-H560 PolarHBondContact NH2-NE2 2.93Å
515	R	94.2	Very high	92.6	Very high	78 Å²	78	46.7 Å²	46.7	29%	0.294	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	162.6	-179.3	-62.4	-69.4	-62.9	-140.9	2.4	111.5	S507 N508 Y513 D561	S507-R515 WeakPolarHBondContact CA-O 3.44Å; S507-R515 WeakPolarHBondContact CB-O 3.42Å; N508-R515 PolarHBondContact N-O 3Å; N508-R515 PolarHBondContact O-N 3.37Å; Y513-R515 HydrophobicContact CD2-CG 4.26Å; Y513-R515 HydrophobicContact CE2-CG 4.1Å; Y513-R515 PolarHBondContact O-N 2.84Å; Y513-R515 PolarHBondContact OH-NH1 2.83Å; R515-D561 WeakPolarHBondContact CA-OD1 3.07Å; R515-D561 WeakPolarHBondContact CB-OD1 3.36Å; R515-D561 VanDerWaalsContact CD-OD1 3.28Å; R515-D561 WeakPolarHBondContact CD-OD1 3.21Å; R515-D561 IonicContact CZ-OD1 3.33Å; R515-D561 IonicContact CZ-OD2 3.55Å; R515-D561 VanDerWaalsContact CZ-OD2 3.29Å; R515-D561 VanDerWaalsContact NE-CG 3.25Å; R515-D561 IonicContact NE-OD1 3.21Å; R515-D561 PolarHBondContact NE-OD1 2.83Å; R515-D561 IonicContact NE-OD2 2.79Å; R515-D561 PolarHBondContact NE-OD2 2.7Å; R515-D561 VanDerWaalsContact NE-OD2 3.17Å; R515-D561 IonicContact NH2-OD1 3.82Å; R515-D561 IonicContact NH2-OD2 3.79Å; R515-D561 PolarHBondContact NH2-OD2 3.16Å
516	D	96.6	Very high	92.5	Very high	18 Å²	18	52.8 Å²	52.8	10%	0.096	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	137.7	171.1	-64.5	-33.4	0	0	0	111.8	L518 S559 H560 D561	D516-L518 HydrophobicContact CB-CD2 4.29Å; D516-S559 WeakPolarHBondContact OD1-CA 3.14Å; D516-S559 WeakPolarHBondContact OD2-CA 3.39Å; D516-S559 WeakPolarHBondContact OD2-CB 2.91Å; D516-S559 PolarHBondContact OD2-OG 3.1Å; D516-H560 IonicContact OD1-CD2 2.9Å; D516-H560 PolarHBondContact OD1-N 2.84Å; D516-H560 PolarHBondContact OD2-N 2.72Å; D516-D561 PolarHBondContact N-OD1 2.83Å; D516-D561 WeakPolarHBondContact OD2-CB 3.26Å; D516-D561 PolarHBondContact OD2-N 3.04Å
517	V	97.2	Very high	92.5	Very high	3 Å²	3	56.5 Å²	56.5	2%	0.018	29%	0.289	C	S	.	.			trans	-100.1	105.9	171.4	-174.2	0	0	0	0	109.4	V487 R489 G505 G506 N508	V487-V517 HydrophobicContact CG1-CG1 3.81Å; R489-V517 HydrophobicContact CB-CG2 4.15Å; R489-V517 VanDerWaalsContact NH1-CG1 3.31Å; R489-V517 VanDerWaalsContact NH2-CG1 3.32Å; G505-V517 CarbonylContact C-O 3.59Å; G505-V517 WeakPolarHBondContact CA-O 3.47Å; G506-V517 PolarHBondContact O-N 3.43Å; N508-V517 HydrophobicContact CB-CG2 3.97Å; N508-V517 WeakPolarHBondContact ND2-CG2 3.3Å
518	L	97.3	Very high	92.5	Very high	64 Å²	64	59.8 Å²	59.8	34%	0.335	31%	0.307	S	S	.	.			trans	-88	-19.9	-177.8	-56.3	-177.6	0	0	0	113.5	D516 L520 P535 L536 S538	D516-L518 HydrophobicContact CB-CD2 4.29Å; L518-L520 PolarHBondContact O-N 2.73Å; L518-P535 HydrophobicContact CB-CB 4.39Å; L518-P535 CarbonylContact O-C 3.58Å; L518-P535 VanDerWaalsContact O-CA 3.3Å; L518-P535 WeakPolarHBondContact O-CA 3.43Å; L518-P535 WeakPolarHBondContact O-CB 3.25Å; L518-L536 HydrophobicContact CB-CB 4.41Å; L518-L536 HydrophobicContact CD2-CB 4.22Å; L518-L536 PolarHBondContact O-N 2.57Å; L518-S538 VanDerWaalsContact CD2-C 3.44Å
519	Q	97.4	Very high	92.7	Very high	85 Å²	85	61.5 Å²	61.5	40%	0.397	32%	0.32	S	S	.	.			trans	-64.4	121.8	-178.4	-64.9	113.4	-20	0	0	110.6	V487 R489 L532	V487-Q519 HydrophobicContact CG2-CB 4.28Å; V487-Q519 HydrophobicContact CG2-CG 4.42Å; R489-Q519 VanDerWaalsContact CZ-O 3.3Å; R489-Q519 PolarHBondContact NH1-O 3.23Å; R489-Q519 PolarHBondContact NH2-O 2.61Å; Q519-L532 HydrophobicContact CB-CD2 4.16Å
520	L	97.9	Very high	93	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	31%	0.311	C	S	.	.			trans	-85.5	138.3	166	174.1	57.6	0	0	0	109	Y502 V503 I504 L518 L533 T534 Y572 W579	Y502-L520 HydrophobicContact CD1-CD1 4.24Å; V503-L520 VanDerWaalsContact O-CD1 3.26Å; V503-L520 WeakPolarHBondContact O-CD1 3.48Å; I504-L520 HydrophobicContact CB-CD1 4.28Å; I504-L520 HydrophobicContact CD1-CD1 4.3Å; I504-L520 HydrophobicContact CG1-CD1 3.26Å; L518-L520 PolarHBondContact O-N 2.73Å; L520-L533 HydrophobicContact CB-CB 4.3Å; L520-L533 HydrophobicContact CD2-CB 3.93Å; L520-L533 HydrophobicContact CD2-CD1 4.05Å; L520-L533 HydrophobicContact CG-CB 3.93Å; L520-L533 HydrophobicContact CG-CD1 4.12Å; L520-L533 PolarHBondContact O-N 3.21Å; L520-T534 WeakPolarHBondContact CB-O 3.29Å; L520-Y572 HydrophobicContact CD2-CD1 3.9Å; L520-Y572 HydrophobicContact CD2-CD2 3.71Å; L520-Y572 HydrophobicContact CD2-CE1 3.73Å; L520-Y572 HydrophobicContact CD2-CE2 3.52Å; L520-Y572 HydrophobicContact CD2-CG 3.89Å; L520-W579 HydrophobicContact CB-CZ2 4.45Å; L520-W579 HydrophobicContact CD2-CZ2 3.81Å
521	A	98	Very high	94.2	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	150.4	171.6	0	0	0	0	0	110.9	P486 Y502 V503 W530 S531 L532	P486-A521 HydrophobicContact CG-CB 3.54Å; Y502-A521 CarbonylContact C-O 3.58Å; Y502-A521 WeakPolarHBondContact CA-O 3.4Å; V503-A521 PolarHBondContact N-O 3.17Å; V503-A521 PolarHBondContact O-N 2.84Å; A521-W530 HydrophobicContact CB-CE3 3.8Å; A521-W530 HydrophobicContact CB-CZ3 4.26Å; A521-S531 CarbonylContact C-O 3.52Å; A521-S531 VanDerWaalsContact CA-O 3.27Å; A521-S531 WeakPolarHBondContact CA-O 3.26Å; A521-L532 HydrophobicContact CB-CD2 4.28Å
522	C	97.9	Very high	95.7	Very high	2 Å²	2	53.4 Å²	53.4	1%	0.014	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	146.1	168.6	69.5	0	0	0	0	111.2	R500 V501 Y502 W530 S531 L533	R500-C522 HydrophobicContact CB-CB 4.4Å; V501-C522 CarbonylContact O-C 3.59Å; V501-C522 WeakPolarHBondContact O-CA 3.31Å; Y502-C522 HydrophobicContact CD1-CB 3.77Å; Y502-C522 HydrophobicContact CE1-CB 3.76Å; Y502-C522 HydrophobicContact CG-CB 4.23Å; C522-W530 CarbonylContact O-C 3.54Å; C522-W530 VanDerWaalsContact O-CA 3.3Å; C522-W530 WeakPolarHBondContact O-CA 3.47Å; C522-S531 PolarHBondContact N-O 3.28Å; C522-S531 PolarHBondContact O-N 2.83Å; C522-L533 HydrophobicContact CB-CD1 3.82Å
523	F	98.6	Very high	96.5	Very high	2 Å²	2	52.2 Å²	52.2	1%	0.009	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	130.5	175.3	179.5	-107.2	0	0	0	109.5	Y455 C482 A483 V501 P525 N528 S529 W530	Y455-F523 HydrophobicContact CD1-CD1 4.2Å; Y455-F523 AromaticContact CD1-CE1 3.85Å; Y455-F523 HydrophobicContact CD1-CE1 3.85Å; Y455-F523 HydrophobicContact CE1-CD1 4.28Å; Y455-F523 AromaticContact CE1-CE1 3.62Å; Y455-F523 HydrophobicContact CE1-CE1 3.62Å; C482-F523 HydrophobicContact CB-CE2 4.17Å; C482-F523 HydrophobicContact CB-CZ 3.82Å; A483-F523 HydrophobicContact CB-CE2 4.37Å; V501-F523 HydrophobicContact CB-CB 4.35Å; V501-F523 PolarHBondContact N-O 3.45Å; V501-F523 VanDerWaalsContact N-O 3.1Å; V501-F523 PolarHBondContact O-N 3.08Å; F523-P525 HydrophobicContact CE1-CB 3.95Å; F523-N528 VanDerWaalsContact CE2-OD1 3.3Å; F523-N528 WeakPolarHBondContact CE2-OD1 3.27Å; F523-N528 WeakPolarHBondContact CZ-OD1 3.44Å; F523-S529 WeakPolarHBondContact CA-O 3.05Å; F523-S529 WeakPolarHBondContact CD2-O 3.36Å; F523-W530 HydrophobicContact CB-CD2 3.74Å; F523-W530 HydrophobicContact CB-CE3 3.7Å; F523-W530 HydrophobicContact CB-CH2 3.58Å; F523-W530 HydrophobicContact CB-CZ2 3.66Å; F523-W530 HydrophobicContact CB-CZ3 3.62Å; F523-W530 AromaticContact CD2-CD1 3.78Å; F523-W530 HydrophobicContact CD2-CD2 4Å; F523-W530 AromaticContact CD2-CE2 3.64Å; F523-W530 HydrophobicContact CD2-CG 4.1Å; F523-W530 HydrophobicContact CD2-CZ2 4.14Å; F523-W530 AromaticContact CD2-NE1 3.48Å; F523-W530 HydrophobicContact CG-CD2 4.34Å; F523-W530 AromaticContact CG-CE2 3.99Å; F523-W530 HydrophobicContact CG-CH2 4.45Å; F523-W530 HydrophobicContact CG-CZ2 4.07Å
524	D	97.9	Very high	97.1	Very high	39 Å²	39	49.4 Å²	49.4	21%	0.209	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	116.8	169.9	-169.2	-28.8	0	0	0	108.6	T526 P527 N528 S529	D524-T526 PolarHBondContact O-N 3.21Å; D524-T526 WeakPolarHBondContact OD1-CB 3.4Å; D524-T526 PolarHBondContact OD1-N 3.46Å; D524-T526 PolarHBondContact OD1-OG1 3.49Å; D524-P527 HydrophobicContact CB-CG 3.79Å; D524-P527 WeakPolarHBondContact O-CD 3.26Å; D524-P527 WeakPolarHBondContact OD1-CD 2.96Å; D524-N528 VanDerWaalsContact O-CA 3.31Å; D524-N528 WeakPolarHBondContact O-CA 3.5Å; D524-N528 PolarHBondContact O-N 2.86Å; D524-N528 VanDerWaalsContact O-N 3.08Å; D524-S529 PolarHBondContact N-O 2.91Å; D524-S529 PolarHBondContact O-N 3.2Å
525	P	96.4	Very high	97.4	Very high	31 Å²	31	49.5 Å²	49.5	20%	0.201	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-18.4	-179.5	30.1	-36.7	0	0	0	113.1	L450 Y455 F523	L450-P525 HydrophobicContact CD2-CG 3.71Å; Y455-P525 HydrophobicContact CE1-CB 4.37Å; Y455-P525 WeakPolarHBondContact OH-CB 3.49Å; F523-P525 HydrophobicContact CE1-CB 3.95Å
526	T	95.8	Very high	97.5	Very high	127 Å²	127	46 Å²	46	78%	0.779	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-55.8	-176.8	-45.7	0	0	0	0	112.2	D524	D524-T526 PolarHBondContact O-N 3.21Å; D524-T526 WeakPolarHBondContact OD1-CB 3.4Å; D524-T526 PolarHBondContact OD1-N 3.46Å; D524-T526 PolarHBondContact OD1-OG1 3.49Å
527	P	97.1	Very high	97.5	Very high	78 Å²	78	48.3 Å²	48.3	51%	0.506	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-3.4	169.8	36.3	-36.4	0	0	0	112.8	D524 S529	D524-P527 HydrophobicContact CB-CG 3.79Å; D524-P527 WeakPolarHBondContact O-CD 3.26Å; D524-P527 WeakPolarHBondContact OD1-CD 2.96Å; P527-S529 WeakPolarHBondContact CG-OG 3.49Å
528	N	97.8	Very high	97.5	Very high	69 Å²	69	49.3 Å²	49.3	37%	0.369	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.9	61.5	-172.1	-177.7	28.8	0	0	0	111.2	C482 A483 F523 D524	C482-N528 WeakPolarHBondContact CB-OD1 3.5Å; A483-N528 WeakPolarHBondContact CB-O 3.32Å; A483-N528 PolarHBondContact N-OD1 3.07Å; F523-N528 VanDerWaalsContact CE2-OD1 3.3Å; F523-N528 WeakPolarHBondContact CE2-OD1 3.27Å; F523-N528 WeakPolarHBondContact CZ-OD1 3.44Å; D524-N528 VanDerWaalsContact O-CA 3.31Å; D524-N528 WeakPolarHBondContact O-CA 3.5Å; D524-N528 PolarHBondContact O-N 2.86Å; D524-N528 VanDerWaalsContact O-N 3.08Å
529	S	98	Very high	97.4	Very high	46 Å²	46	46.4 Å²	46.4	32%	0.322	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	155.5	-175.5	71.9	0	0	0	0	113.1	F523 D524 P527	F523-S529 WeakPolarHBondContact CA-O 3.05Å; F523-S529 WeakPolarHBondContact CD2-O 3.36Å; D524-S529 PolarHBondContact N-O 2.91Å; D524-S529 PolarHBondContact O-N 3.2Å; P527-S529 WeakPolarHBondContact CG-OG 3.49Å
530	W	98.4	Very high	97.4	Very high	37 Å²	37	42.3 Å²	42.3	14%	0.14	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	142	176.1	-70.4	90.9	0	0	0	111.8	A457 T469 A483 E484 P486 V503 A521 C522 F523	A457-W530 HydrophobicContact CB-CH2 4.27Å; A457-W530 HydrophobicContact CB-CZ2 4.11Å; T469-W530 HydrophobicContact CG2-CZ2 4Å; A483-W530 PolarHBondContact O-NE1 3.29Å; E484-W530 VanDerWaalsContact C-CD1 3.49Å; P486-W530 HydrophobicContact CG-CB 4.45Å; V503-W530 HydrophobicContact CB-CH2 4.26Å; V503-W530 HydrophobicContact CB-CZ3 4.03Å; V503-W530 HydrophobicContact CG2-CH2 3.36Å; V503-W530 HydrophobicContact CG2-CZ2 4.45Å; V503-W530 HydrophobicContact CG2-CZ3 3.62Å; A521-W530 HydrophobicContact CB-CE3 3.8Å; A521-W530 HydrophobicContact CB-CZ3 4.26Å; C522-W530 CarbonylContact O-C 3.54Å; C522-W530 VanDerWaalsContact O-CA 3.3Å; C522-W530 WeakPolarHBondContact O-CA 3.47Å; F523-W530 HydrophobicContact CB-CD2 3.74Å; F523-W530 HydrophobicContact CB-CE3 3.7Å; F523-W530 HydrophobicContact CB-CH2 3.58Å; F523-W530 HydrophobicContact CB-CZ2 3.66Å; F523-W530 HydrophobicContact CB-CZ3 3.62Å; F523-W530 AromaticContact CD2-CD1 3.78Å; F523-W530 HydrophobicContact CD2-CD2 4Å; F523-W530 AromaticContact CD2-CE2 3.64Å; F523-W530 HydrophobicContact CD2-CG 4.1Å; F523-W530 HydrophobicContact CD2-CZ2 4.14Å; F523-W530 AromaticContact CD2-NE1 3.48Å; F523-W530 HydrophobicContact CG-CD2 4.34Å; F523-W530 AromaticContact CG-CE2 3.99Å; F523-W530 HydrophobicContact CG-CH2 4.45Å; F523-W530 HydrophobicContact CG-CZ2 4.07Å
531	S	97.5	Very high	97.3	Very high	60 Å²	60	42.3 Å²	42.3	42%	0.42	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	133.3	172.4	-64.9	0	0	0	0	110.6	A521 C522	A521-S531 CarbonylContact C-O 3.52Å; A521-S531 VanDerWaalsContact CA-O 3.27Å; A521-S531 WeakPolarHBondContact CA-O 3.26Å; C522-S531 PolarHBondContact N-O 3.28Å; C522-S531 PolarHBondContact O-N 2.83Å
532	L	97.9	Very high	97.2	Very high	108 Å²	108	43.7 Å²	43.7	57%	0.565	26%	0.261	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.4	140.7	172.4	-71.1	173.2	0	0	0	110.4	P486 Q519 A521	P486-L532 HydrophobicContact CB-CD2 3.95Å; P486-L532 HydrophobicContact CB-CG 4.31Å; P486-L532 HydrophobicContact CG-CD2 3.67Å; P486-L532 HydrophobicContact CG-CG 4.37Å; Q519-L532 HydrophobicContact CB-CD2 4.16Å; A521-L532 HydrophobicContact CB-CD2 4.28Å
533	L	97.9	Very high	97.2	Very high	50 Å²	50	44.3 Å²	44.3	26%	0.262	27%	0.265	S	S	.	.			trans	-124.5	-176.5	-178.8	-56.9	176.7	0	0	0	110.6	Y502 L520 C522 Y572	Y502-L533 HydrophobicContact CD1-CD1 3.89Å; Y502-L533 HydrophobicContact CE1-CD1 3.55Å; L520-L533 HydrophobicContact CB-CB 4.3Å; L520-L533 HydrophobicContact CD2-CB 3.93Å; L520-L533 HydrophobicContact CD2-CD1 4.05Å; L520-L533 HydrophobicContact CG-CB 3.93Å; L520-L533 HydrophobicContact CG-CD1 4.12Å; L520-L533 PolarHBondContact O-N 3.21Å; C522-L533 HydrophobicContact CB-CD1 3.82Å; L533-Y572 HydrophobicContact CD1-CE1 4.26Å
534	T	97.7	Very high	97.1	Very high	68 Å²	68	44.3 Å²	44.3	42%	0.417	27%	0.265	S	S	.	.	S	Bend	trans	-53.7	122.1	176.7	-47.2	0	0	0	0	110.6	L520 G577 W579	L520-T534 WeakPolarHBondContact CB-O 3.29Å; T534-G577 WeakPolarHBondContact CB-O 3.32Å; T534-G577 PolarHBondContact OG1-O 2.75Å; T534-W579 PolarHBondContact O-NE1 3.48Å
535	P	97.8	Very high	97.1	Very high	75 Å²	75	43.7 Å²	43.7	49%	0.487	26%	0.262	S	S	.	.	P	Polyproline II helix	trans	-70.3	154.6	-175.6	29	-35.3	0	0	0	112.4	L518 W579	L518-P535 HydrophobicContact CB-CB 4.39Å; L518-P535 CarbonylContact O-C 3.58Å; L518-P535 VanDerWaalsContact O-CA 3.3Å; L518-P535 WeakPolarHBondContact O-CA 3.43Å; L518-P535 WeakPolarHBondContact O-CB 3.25Å; P535-W579 VanDerWaalsContact O-CD1 3.29Å; P535-W579 PolarHBondContact O-NE1 3.47Å; P535-W579 VanDerWaalsContact O-NE1 3.07Å
536	L	97.4	Very high	97.2	Very high	5 Å²	5	42.4 Å²	42.4	3%	0.026	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-57	140.1	175.3	-88.2	164.9	0	0	0	112.1	I504 G505 L518 S538 H540 W579	I504-L536 HydrophobicContact CG2-CD1 3.73Å; I504-L536 HydrophobicContact CG2-CD2 4.1Å; I504-L536 HydrophobicContact CG2-CG 4.12Å; G505-L536 VanDerWaalsContact CA-CD1 3.43Å; G505-L536 VanDerWaalsContact N-CD1 3.35Å; L518-L536 HydrophobicContact CB-CB 4.41Å; L518-L536 HydrophobicContact CD2-CB 4.22Å; L518-L536 PolarHBondContact O-N 2.57Å; L536-S538 VanDerWaalsContact C-N 3.31Å; L536-S538 PolarHBondContact O-N 3.32Å; L536-H540 HydrophobicContact CD1-CB 4.48Å; L536-W579 HydrophobicContact CB-CZ2 4.46Å; L536-W579 HydrophobicContact CD2-CE3 4.25Å; L536-W579 HydrophobicContact CD2-CH2 3.19Å; L536-W579 HydrophobicContact CD2-CZ2 3.53Å; L536-W579 HydrophobicContact CD2-CZ3 3.58Å; L536-W579 HydrophobicContact CG-CH2 3.82Å; L536-W579 HydrophobicContact CG-CZ2 3.69Å
537	P	96.6	Very high	97.3	Very high	65 Å²	65	39 Å²	39	42%	0.422	23%	0.232	S	C	.	.	S	Bend	trans	-67.1	-24.8	175.8	-22.3	32.7	0	0	0	114.9	W579	P537-W579 HydrophobicContact CG-CB 3.91Å; P537-W579 HydrophobicContact CG-CD2 4.46Å; P537-W579 HydrophobicContact CG-CG 4.05Å
538	S	96.1	Very high	97.3	Very high	24 Å²	24	35.8 Å²	35.8	17%	0.168	21%	0.211	C	C	.	.	S	Bend	trans	-155.2	166.3	174	-67.6	0	0	0	0	111.1	L518 L536 H540	L518-S538 VanDerWaalsContact CD2-C 3.44Å; L536-S538 VanDerWaalsContact C-N 3.31Å; L536-S538 PolarHBondContact O-N 3.32Å; S538-H540 PolarHBondContact O-CD2 3.14Å
539	G	95.6	Very high	97.1	Very high	3 Å²	3	38.6 Å²	38.6	3%	0.031	23%	0.226	C	C	.	.			trans	-65.8	135.6	-179.9	0	0	0	0	0	114.2
540	H	97.4	Very high	96.9	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	22%	0.223	C	C	.	.			trans	-137.1	86.2	180	-86.8	-91.8	0	0	0	109.2	G505 G506 L536 S538 P543 V554 G556 Y568 H570	G505-H540 WeakPolarHBondContact CA-O 2.99Å; G506-H540 PolarHBondContact N-O 2.85Å; L536-H540 HydrophobicContact CD1-CB 4.48Å; S538-H540 PolarHBondContact O-CD2 3.14Å; H540-P543 HydrophobicContact CB-CB 4.16Å; H540-P543 HydrophobicContact CB-CG 4.44Å; H540-V554 HydrophobicContact CB-CG1 3.83Å; H540-V554 PolarHBondContact CE1-O 3.24Å; H540-V554 VanDerWaalsContact CE1-O 3.3Å; H540-V554 WeakPolarHBondContact ND1-CG1 3.47Å; H540-G556 PolarHBondContact CE1-O 2.88Å; H540-G556 PolarHBondContact ND1-O 3Å; H540-Y568 PolarHBondContact CE1-O 2.91Å; H540-H570 AromaticContact CD2-ND1 3.49Å; H540-H570 PolarHBondContact CD2-ND1 2.87Å; H540-H570 AromaticContact NE2-CE1 3.62Å; H540-H570 AromaticContact NE2-CG 3.75Å; H540-H570 AromaticContact NE2-ND1 3.03Å; H540-H570 PolarHBondContact NE2-ND1 3.09Å
541	G	95.3	Very high	96.9	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	23%	0.228	C	C	.	.	B	Isolated β-bridge	trans	-96.8	139.1	170.6	0	0	0	0	0	111.8	W491 P543 G557 R558	W491-G541 CarbonylContact O-C 3.52Å; W491-G541 WeakPolarHBondContact O-CA 3.38Å; G541-P543 VanDerWaalsContact C-CD 3.43Å; G541-P543 VanDerWaalsContact C-N 3.34Å; G541-G557 CarbonylContact O-C 3.58Å; G541-G557 VanDerWaalsContact O-C 3.3Å; G541-G557 WeakPolarHBondContact O-CA 3.41Å; G541-R558 WeakPolarHBondContact CA-O 3.4Å; G541-R558 PolarHBondContact N-O 2.82Å; G541-R558 PolarHBondContact O-N 2.99Å
542	E	95.7	Very high	96.9	Very high	29 Å²	29	36.5 Å²	36.5	14%	0.136	21%	0.208	C	C	.	.	S	Bend	trans	52.1	45.2	-170	-46.9	166	142	0	0	112.5	W491 S590 G591	W491-E542 HydrophobicContact CB-CG 3.77Å; W491-E542 HydrophobicContact CG-CG 3.97Å; W491-E542 PolarHBondContact O-N 3.06Å; E542-S590 WeakPolarHBondContact OE2-CB 3.38Å; E542-S590 PolarHBondContact OE2-OG 3.12Å; E542-G591 WeakPolarHBondContact O-CA 3.46Å; E542-G591 PolarHBondContact O-N 3.39Å
543	P	97.5	Very high	97	Very high	15 Å²	15	31.6 Å²	31.6	10%	0.097	18%	0.182	C	C	.	.			trans	-75.2	154.8	-178.8	34	-34.9	0	0	0	111.4	H540 G541 I545 V554	H540-P543 HydrophobicContact CB-CB 4.16Å; H540-P543 HydrophobicContact CB-CG 4.44Å; G541-P543 VanDerWaalsContact C-CD 3.43Å; G541-P543 VanDerWaalsContact C-N 3.34Å; P543-I545 HydrophobicContact CB-CD1 4.3Å; P543-I545 HydrophobicContact CG-CD1 4.01Å; P543-I545 HydrophobicContact CG-CG1 4.39Å; P543-V554 HydrophobicContact CB-CG1 3.74Å; P543-V554 HydrophobicContact CG-CG1 4.24Å
544	G	97.9	Very high	97	Very high	1 Å²	1	29.2 Å²	29.2	1%	0.01	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	136.5	157.9	0	0	0	0	0	109.8	L555 L592	G544-L555 PolarHBondContact N-O 2.76Å; G544-L555 PolarHBondContact O-N 2.94Å; G544-L592 VanDerWaalsContact CA-O 3.25Å; G544-L592 WeakPolarHBondContact CA-O 3.39Å
545	I	98.3	Very high	97	Very high	27 Å²	27	26 Å²	26	14%	0.138	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	131.7	176.8	-58.3	-64	0	0	0	109.9	A495 P543 I552 Y553 V554 A594	A495-I545 HydrophobicContact CB-CG2 3.79Å; P543-I545 HydrophobicContact CB-CD1 4.3Å; P543-I545 HydrophobicContact CG-CD1 4.01Å; P543-I545 HydrophobicContact CG-CG1 4.39Å; I545-I552 HydrophobicContact CG2-CG2 3.93Å; I545-Y553 WeakPolarHBondContact CA-O 3.21Å; I545-V554 HydrophobicContact CD1-CB 4.28Å; I545-V554 HydrophobicContact CD1-CG1 3.89Å; I545-V554 HydrophobicContact CD1-CG2 4.12Å; I545-A594 CarbonylContact O-C 3.56Å; I545-A594 VanDerWaalsContact O-O 3.06Å
546	A	98.3	Very high	97	Very high	4 Å²	4	22.4 Å²	22.4	3%	0.033	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	147	173.3	0	0	0	0	0	110.1	I305 Y553 A594 V596	I305-A546 HydrophobicContact CG1-CB 4.31Å; I305-A546 HydrophobicContact CG2-CB 3.76Å; A546-Y553 PolarHBondContact N-O 3.38Å; A546-Y553 VanDerWaalsContact N-O 3.11Å; A546-Y553 PolarHBondContact O-N 2.88Å; A546-A594 HydrophobicContact CB-CB 4.49Å; A546-V596 HydrophobicContact CB-CG2 4.02Å
547	V	98	Very high	96.9	Very high	54 Å²	54	22.2 Å²	22.2	33%	0.327	13%	0.125	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	120.6	177.4	-175	0	0	0	0	108.8	A495 A497 R551 I552 V596	A495-V547 HydrophobicContact CB-CG2 3.59Å; A497-V547 HydrophobicContact CB-CG1 4.22Å; V547-R551 WeakPolarHBondContact CA-O 3.32Å; V547-I552 HydrophobicContact CG2-CG1 4.27Å; V547-I552 HydrophobicContact CG2-CG2 4.49Å; V547-V596 VanDerWaalsContact O-CG2 3.27Å; V547-V596 WeakPolarHBondContact O-CG2 3.25Å
548	L	97.3	Very high	96.8	Very high	12 Å²	12	23 Å²	23	6%	0.063	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	129.5	178.7	179.2	60.7	0	0	0	108.1	H303 I305 P329 S550 R551 Y553 V596	H303-L548 HydrophobicContact CB-CD1 3.76Å; I305-L548 HydrophobicContact CD1-CD2 4.38Å; I305-L548 HydrophobicContact CG1-CD2 4.2Å; P329-L548 HydrophobicContact CG-CD2 3.49Å; P329-L548 VanDerWaalsContact CG-CD2 3.49Å; L548-S550 PolarHBondContact O-N 3.16Å; L548-R551 PolarHBondContact N-O 3.02Å; L548-R551 WeakPolarHBondContact O-CA 3.47Å; L548-R551 VanDerWaalsContact O-CB 3.27Å; L548-R551 WeakPolarHBondContact O-CB 3.34Å; L548-R551 PolarHBondContact O-N 3.15Å; L548-Y553 HydrophobicContact CB-CD2 4.42Å; L548-Y553 HydrophobicContact CB-CE2 3.98Å; L548-V596 HydrophobicContact CB-CG2 4.08Å; L548-V596 HydrophobicContact CD1-CG1 4.01Å
549	D	93.3	Very high	96.7	Very high	127 Å²	127	21.9 Å²	21.9	68%	0.679	11%	0.112	S	C	*	.	T	Hydrogen-bonded Turn	trans	47.8	54.9	174.3	-54.9	-30.1	0	0	0	114.7	R551	D549-R551 PolarHBondContact O-N 2.89Å
550	S	93.6	Very high	96.6	Very high	38 Å²	38	23.7 Å²	23.7	27%	0.266	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.5	18.1	-177.7	-59.5	0	0	0	0	114.8	N498 L548 T574	N498-S550 PolarHBondContact OD1-OG 2.82Å; L548-S550 PolarHBondContact O-N 3.16Å; S550-T574 WeakPolarHBondContact O-CB 3.4Å; S550-T574 PolarHBondContact O-N 3.34Å; S550-T574 PolarHBondContact O-OG1 3.44Å
551	R	97.8	Very high	96.4	Very high	62 Å²	62	27.2 Å²	27.2	23%	0.234	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	133.7	177.5	-68.4	163.6	168.9	-104.9	-14.5	110.3	V547 L548 D549 Y553 V571 Y572 N573 E580	V547-R551 WeakPolarHBondContact CA-O 3.32Å; L548-R551 PolarHBondContact N-O 3.02Å; L548-R551 WeakPolarHBondContact O-CA 3.47Å; L548-R551 VanDerWaalsContact O-CB 3.27Å; L548-R551 WeakPolarHBondContact O-CB 3.34Å; L548-R551 PolarHBondContact O-N 3.15Å; D549-R551 PolarHBondContact O-N 2.89Å; R551-Y553 HydrophobicContact CB-CD2 4.34Å; R551-Y553 HydrophobicContact CB-CE2 3.76Å; R551-V571 HydrophobicContact CB-CG1 3.63Å; R551-V571 HydrophobicContact CG-CG1 4.05Å; R551-Y572 WeakPolarHBondContact CA-O 3.4Å; R551-N573 PolarHBondContact NH2-ND2 3.36Å; R551-E580 IonicContact CZ-OE1 3.61Å; R551-E580 IonicContact CZ-OE2 3.42Å; R551-E580 VanDerWaalsContact NH1-CD 3.34Å; R551-E580 IonicContact NH1-OE1 3.81Å; R551-E580 PolarHBondContact NH1-OE1 2.96Å; R551-E580 IonicContact NH1-OE2 2.91Å; R551-E580 PolarHBondContact NH1-OE2 2.85Å; R551-E580 IonicContact NH2-OE1 2.79Å; R551-E580 PolarHBondContact NH2-OE1 3.09Å; R551-E580 IonicContact NH2-OE2 3.26Å; R551-E580 PolarHBondContact NH2-OE2 3.04Å
552	I	98.6	Very high	96.3	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	112.9	176	-51.6	171.2	0	0	0	108.4	A495 A497 Y502 I504 I545 V547 V571 Y572 T574	A495-I552 HydrophobicContact CB-CD1 4.06Å; A495-I552 HydrophobicContact CB-CG1 4.28Å; A495-I552 HydrophobicContact CB-CG2 3.86Å; A497-I552 HydrophobicContact CB-CD1 4.29Å; A497-I552 HydrophobicContact CB-CG1 4.34Å; Y502-I552 HydrophobicContact CD1-CD1 4.1Å; Y502-I552 HydrophobicContact CD2-CD1 3.67Å; Y502-I552 HydrophobicContact CE2-CD1 4.21Å; Y502-I552 HydrophobicContact CG-CD1 3.61Å; I504-I552 HydrophobicContact CD1-CB 4.37Å; I504-I552 HydrophobicContact CD1-CD1 4.19Å; I504-I552 HydrophobicContact CD1-CG2 3.56Å; I545-I552 HydrophobicContact CG2-CG2 3.93Å; V547-I552 HydrophobicContact CG2-CG1 4.27Å; V547-I552 HydrophobicContact CG2-CG2 4.49Å; I552-V571 WeakPolarHBondContact O-CA 3.29Å; I552-Y572 HydrophobicContact CD1-CD1 4.46Å; I552-Y572 PolarHBondContact N-O 2.99Å; I552-Y572 PolarHBondContact O-N 2.81Å; I552-T574 HydrophobicContact CD1-CG2 3.74Å; I552-T574 HydrophobicContact CG1-CG2 3.89Å
553	Y	98.6	Very high	96.1	Very high	5 Å²	5	33.5 Å²	33.5	2%	0.02	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	126.9	177.7	-70	-104.9	0	0	0	109.9	I305 F327 I545 A546 L548 R551 V569 V571 E582	I305-Y553 HydrophobicContact CD1-CD1 3.38Å; I305-Y553 HydrophobicContact CD1-CD2 3.55Å; I305-Y553 HydrophobicContact CD1-CE1 3.62Å; I305-Y553 HydrophobicContact CD1-CE2 3.79Å; I305-Y553 HydrophobicContact CD1-CG 3.36Å; F327-Y553 HydrophobicContact CE1-CE1 4.39Å; I545-Y553 WeakPolarHBondContact CA-O 3.21Å; A546-Y553 PolarHBondContact N-O 3.38Å; A546-Y553 VanDerWaalsContact N-O 3.11Å; A546-Y553 PolarHBondContact O-N 2.88Å; L548-Y553 HydrophobicContact CB-CD2 4.42Å; L548-Y553 HydrophobicContact CB-CE2 3.98Å; R551-Y553 HydrophobicContact CB-CD2 4.34Å; R551-Y553 HydrophobicContact CB-CE2 3.76Å; Y553-V569 HydrophobicContact CD1-CG1 4.25Å; Y553-V571 HydrophobicContact CD1-CG1 4.46Å; Y553-V571 HydrophobicContact CD1-CG2 3.45Å; Y553-V571 VanDerWaalsContact CD1-CG2 3.45Å; Y553-V571 HydrophobicContact CD2-CG1 4.37Å; Y553-V571 HydrophobicContact CE1-CG1 4.26Å; Y553-V571 HydrophobicContact CE1-CG2 3.49Å; Y553-V571 VanDerWaalsContact CE1-CG2 3.49Å; Y553-V571 HydrophobicContact CE2-CG1 4.16Å; Y553-V571 HydrophobicContact CG-CG2 4.09Å; Y553-E582 HydrophobicContact CE1-CG 4.28Å
554	V	98.6	Very high	95.8	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	107.1	178.6	-166.2	0	0	0	0	108.3	I504 H540 P543 I545 V569 H570 W579	I504-V554 HydrophobicContact CG2-CG1 4.17Å; I504-V554 HydrophobicContact CG2-CG2 3.73Å; H540-V554 HydrophobicContact CB-CG1 3.83Å; H540-V554 PolarHBondContact CE1-O 3.24Å; H540-V554 VanDerWaalsContact CE1-O 3.3Å; H540-V554 WeakPolarHBondContact ND1-CG1 3.47Å; P543-V554 HydrophobicContact CB-CG1 3.74Å; P543-V554 HydrophobicContact CG-CG1 4.24Å; I545-V554 HydrophobicContact CD1-CB 4.28Å; I545-V554 HydrophobicContact CD1-CG1 3.89Å; I545-V554 HydrophobicContact CD1-CG2 4.12Å; V554-V569 WeakPolarHBondContact O-CA 3.06Å; V554-H570 PolarHBondContact N-O 2.89Å; V554-H570 PolarHBondContact O-N 2.98Å; V554-H570 VanDerWaalsContact O-N 3.12Å; V554-W579 HydrophobicContact CG2-CH2 4.05Å; V554-W579 HydrophobicContact CG2-CZ3 3.91Å
555	L	97.9	Very high	95.6	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	120.4	-166.8	-47.5	-173.8	0	0	0	111.6	I305 W334 G544 G557 V569 L592 A594	I305-L555 HydrophobicContact CG2-CD1 3.84Å; W334-L555 HydrophobicContact CH2-CD1 3.72Å; W334-L555 HydrophobicContact CH2-CD2 3.81Å; W334-L555 HydrophobicContact CH2-CG 4.41Å; W334-L555 HydrophobicContact CZ2-CD2 3.81Å; W334-L555 HydrophobicContact CZ3-CD1 4.4Å; G544-L555 PolarHBondContact N-O 2.76Å; G544-L555 PolarHBondContact O-N 2.94Å; L555-G557 PolarHBondContact O-N 3.17Å; L555-V569 HydrophobicContact CD2-CB 4.41Å; L555-V569 HydrophobicContact CD2-CG1 3.57Å; L555-V569 HydrophobicContact CD2-CG2 4.06Å; L555-L592 HydrophobicContact CB-CD2 3.79Å; L555-L592 HydrophobicContact CD1-CD2 3.89Å; L555-A594 HydrophobicContact CD1-CB 3.66Å
556	G	96.6	Very high	95.4	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.192	C	C	.	.			trans	67.1	-119.4	168.5	0	0	0	0	0	113.7	H540 M566 Y568 I589	H540-G556 PolarHBondContact CE1-O 2.88Å; H540-G556 PolarHBondContact ND1-O 3Å; G556-M566 WeakPolarHBondContact O-CB 3.4Å; G556-Y568 PolarHBondContact N-O 3.21Å; G556-I589 CarbonylContact C-O 3.57Å
557	G	95.5	Very high	95.3	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.205	C	C	.	.			trans	78.9	-172.6	-176.9	0	0	0	0	0	115	G541 L555 R565 M566 I589	G541-G557 CarbonylContact O-C 3.58Å; G541-G557 VanDerWaalsContact O-C 3.3Å; G541-G557 WeakPolarHBondContact O-CA 3.41Å; L555-G557 PolarHBondContact O-N 3.17Å; G557-R565 CarbonylContact O-C 3.59Å; G557-R565 WeakPolarHBondContact O-CA 3.1Å; G557-M566 PolarHBondContact O-N 3.01Å; G557-I589 CarbonylContact C-O 3.52Å; G557-I589 WeakPolarHBondContact CA-O 3.47Å; G557-I589 PolarHBondContact N-O 2.68Å; G557-I589 VanDerWaalsContact O-O 3.04Å
558	R	94.1	Very high	95.2	Very high	82 Å²	82	40.1 Å²	40.1	31%	0.309	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	134.2	179.6	-173.1	175.5	-166.9	140.8	5	110.3	G541	G541-R558 WeakPolarHBondContact CA-O 3.4Å; G541-R558 PolarHBondContact N-O 2.82Å; G541-R558 PolarHBondContact O-N 2.99Å
559	S	95.6	Very high	95.2	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.007	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	118.5	165.1	170.4	0	0	0	0	108.8	D516 K562 G563 N564	D516-S559 WeakPolarHBondContact OD1-CA 3.14Å; D516-S559 WeakPolarHBondContact OD2-CA 3.39Å; D516-S559 WeakPolarHBondContact OD2-CB 2.91Å; D516-S559 PolarHBondContact OD2-OG 3.1Å; S559-K562 WeakPolarHBondContact OG-CB 3.47Å; S559-K562 WeakPolarHBondContact OG-CG 3.37Å; S559-K562 PolarHBondContact OG-N 3.08Å; S559-G563 CarbonylContact O-C 3.6Å; S559-G563 WeakPolarHBondContact O-CA 3.49Å; S559-G563 PolarHBondContact O-N 3.49Å; S559-N564 PolarHBondContact N-O 2.81Å; S559-N564 PolarHBondContact O-N 2.91Å; S559-N564 VanDerWaalsContact O-N 3.14Å
560	H	93.3	Very high	95.5	Very high	41 Å²	41	33.9 Å²	33.9	19%	0.19	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-34.2	173.1	-71.4	-79.2	0	0	0	111.5	R514 D516 K562 G563	R514-H560 HydrophobicContact CG-CB 4.46Å; R514-H560 VanDerWaalsContact CZ-NE2 3.32Å; R514-H560 PolarHBondContact NE-CE1 3.43Å; R514-H560 PolarHBondContact NE-NE2 3.05Å; R514-H560 VanDerWaalsContact NE-NE2 3.14Å; R514-H560 PolarHBondContact NH2-CE1 3.18Å; R514-H560 PolarHBondContact NH2-NE2 2.93Å; D516-H560 IonicContact OD1-CD2 2.9Å; D516-H560 PolarHBondContact OD1-N 2.84Å; D516-H560 PolarHBondContact OD2-N 2.72Å; H560-K562 VanDerWaalsContact C-N 3.33Å; H560-K562 PolarHBondContact O-N 3.02Å; H560-G563 PolarHBondContact O-N 3.08Å
561	D	93.6	Very high	95.7	Very high	74 Å²	74	32.1 Å²	32.1	40%	0.396	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-35.5	176.9	-72.9	18	0	0	0	111.6	R515 D516	R515-D561 WeakPolarHBondContact CA-OD1 3.07Å; R515-D561 WeakPolarHBondContact CB-OD1 3.36Å; R515-D561 VanDerWaalsContact CD-OD1 3.28Å; R515-D561 WeakPolarHBondContact CD-OD1 3.21Å; R515-D561 IonicContact CZ-OD1 3.33Å; R515-D561 IonicContact CZ-OD2 3.55Å; R515-D561 VanDerWaalsContact CZ-OD2 3.29Å; R515-D561 VanDerWaalsContact NE-CG 3.25Å; R515-D561 IonicContact NE-OD1 3.21Å; R515-D561 PolarHBondContact NE-OD1 2.83Å; R515-D561 IonicContact NE-OD2 2.79Å; R515-D561 PolarHBondContact NE-OD2 2.7Å; R515-D561 VanDerWaalsContact NE-OD2 3.17Å; R515-D561 IonicContact NH2-OD1 3.82Å; R515-D561 IonicContact NH2-OD2 3.79Å; R515-D561 PolarHBondContact NH2-OD2 3.16Å; D516-D561 PolarHBondContact N-OD1 2.83Å; D516-D561 WeakPolarHBondContact OD2-CB 3.26Å; D516-D561 PolarHBondContact OD2-N 3.04Å
562	K	92.1	Very high	95.7	Very high	112 Å²	112	29.5 Å²	29.5	49%	0.487	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.5	-9.8	175.1	-63	178.5	177.4	175.1	0	113.6	S559 H560 N564 M566 Y568	S559-K562 WeakPolarHBondContact OG-CB 3.47Å; S559-K562 WeakPolarHBondContact OG-CG 3.37Å; S559-K562 PolarHBondContact OG-N 3.08Å; H560-K562 VanDerWaalsContact C-N 3.33Å; H560-K562 PolarHBondContact O-N 3.02Å; K562-N564 PolarHBondContact O-N 3.49Å; K562-M566 HydrophobicContact CD-CE 3.86Å; K562-M566 HydrophobicContact CD-SD 4.24Å; K562-Y568 PolarHBondContact NZ-OH 3.24Å
563	G	90.8	Very high	95.7	Very high	49 Å²	49	30.2 Å²	30.2	51%	0.505	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.5	14.1	-178.7	0	0	0	0	0	115.8	S559 H560	S559-G563 CarbonylContact O-C 3.6Å; S559-G563 WeakPolarHBondContact O-CA 3.49Å; S559-G563 PolarHBondContact O-N 3.49Å; H560-G563 PolarHBondContact O-N 3.08Å
564	N	92.5	Very high	95.6	Very high	64 Å²	64	30.8 Å²	30.8	34%	0.342	15%	0.153	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	160.3	-172.4	-157	-7.3	0	0	0	112.5	S559 K562	S559-N564 PolarHBondContact N-O 2.81Å; S559-N564 PolarHBondContact O-N 2.91Å; S559-N564 VanDerWaalsContact O-N 3.14Å; K562-N564 PolarHBondContact O-N 3.49Å
565	R	93.6	Very high	95.5	Very high	44 Å²	44	36.2 Å²	36.2	17%	0.166	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	150.7	166.6	-65.5	-179	177.9	91	-3.1	110.4	M311 G557 R588 S590	M311-R565 WeakPolarHBondContact O-CD 3.4Å; M311-R565 PolarHBondContact O-NE 3.21Å; M311-R565 VanDerWaalsContact O-NE 3.16Å; G557-R565 CarbonylContact O-C 3.59Å; G557-R565 WeakPolarHBondContact O-CA 3.1Å; R565-R588 HydrophobicContact CB-CB 3.83Å; R565-R588 VanDerWaalsContact O-CD 3.28Å; R565-R588 WeakPolarHBondContact O-CD 3.35Å; R565-R588 WeakPolarHBondContact O-CG 3.34Å; R565-R588 PolarHBondContact O-NH1 3.15Å; R565-S590 PolarHBondContact NE-OG 3.15Å; R565-S590 VanDerWaalsContact NE-OG 3.16Å
566	M	94.1	Very high	95.4	Very high	2 Å²	2	40 Å²	40	1%	0.01	21%	0.205	C	C	.	.	B	Isolated β-bridge	trans	-111	153.8	-171	-54.6	-53.9	-71.2	0	0	110	G556 G557 K562 Y568 R588 I589	G556-M566 WeakPolarHBondContact O-CB 3.4Å; G557-M566 PolarHBondContact O-N 3.01Å; K562-M566 HydrophobicContact CD-CE 3.86Å; K562-M566 HydrophobicContact CD-SD 4.24Å; M566-Y568 HydrophobicContact CE-CD1 4.47Å; M566-Y568 HydrophobicContact CE-CD2 3.32Å; M566-Y568 HydrophobicContact CE-CE1 4.22Å; M566-Y568 HydrophobicContact CE-CE2 3Å; M566-Y568 HydrophobicContact CE-CG 4.07Å; M566-Y568 VanDerWaalsContact CE-CZ 3.5Å; M566-R588 WeakPolarHBondContact O-CA 3.42Å; M566-I589 PolarHBondContact O-N 2.89Å; M566-I589 VanDerWaalsContact O-N 3.15Å
567	K	94.9	Very high	95.3	Very high	71 Å²	71	40.8 Å²	40.8	31%	0.309	21%	0.213	S	C	.	.			trans	-106.8	-2.6	170.3	56.6	170	177.6	158.5	0	112.1	E584 L585	K567-E584 HydrophobicContact CB-CB 4.41Å; K567-E584 HydrophobicContact CD-CB 4.16Å; K567-E584 HydrophobicContact CD-CG 4.48Å; K567-E584 VanDerWaalsContact CD-OE2 3.26Å; K567-E584 WeakPolarHBondContact CD-OE2 3.38Å; K567-E584 VanDerWaalsContact CE-CD 3.44Å; K567-E584 WeakPolarHBondContact CE-OE1 3.41Å; K567-E584 WeakPolarHBondContact CE-OE2 3.06Å; K567-E584 HydrophobicContact CG-CB 4.26Å; K567-E584 HydrophobicContact CG-CG 4.44Å; K567-E584 IonicContact NZ-OE1 3.07Å; K567-E584 IonicContact NZ-OE2 2.68Å; K567-E584 PolarHBondContact NZ-OE2 3.07Å; K567-E584 CarbonylContact O-C 3.53Å; K567-E584 WeakPolarHBondContact O-CA 3.45Å; K567-E584 WeakPolarHBondContact O-CB 3.41Å; K567-L585 HydrophobicContact CB-CB 4.5Å; K567-L585 WeakPolarHBondContact CB-O 3.38Å; K567-L585 PolarHBondContact O-N 3.44Å
568	Y	96.6	Very high	95.4	Very high	59 Å²	59	46.9 Å²	46.9	23%	0.231	24%	0.241	C	C	.	.			trans	-66.2	142.2	-171.4	-60.2	-20.3	0	0	0	110.6	H540 G556 K562 M566 E584	H540-Y568 PolarHBondContact CE1-O 2.91Å; G556-Y568 PolarHBondContact N-O 3.21Å; K562-Y568 PolarHBondContact NZ-OH 3.24Å; M566-Y568 HydrophobicContact CE-CD1 4.47Å; M566-Y568 HydrophobicContact CE-CD2 3.32Å; M566-Y568 HydrophobicContact CE-CE1 4.22Å; M566-Y568 HydrophobicContact CE-CE2 3Å; M566-Y568 HydrophobicContact CE-CG 4.07Å; M566-Y568 VanDerWaalsContact CE-CZ 3.5Å; Y568-E584 HydrophobicContact CD1-CG 4.46Å; Y568-E584 WeakPolarHBondContact CD1-OE1 3.28Å; Y568-E584 WeakPolarHBondContact CE1-OE1 3.48Å
569	V	97.9	Very high	95.6	Very high	2 Å²	2	44.9 Å²	44.9	1%	0.012	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	111.7	166.2	-179.3	0	0	0	0	106.2	W334 Y553 V554 L555 V571 E582 T583 L585	W334-V569 HydrophobicContact CZ2-CG1 4.37Å; W334-V569 HydrophobicContact CZ2-CG2 3.98Å; Y553-V569 HydrophobicContact CD1-CG1 4.25Å; V554-V569 WeakPolarHBondContact O-CA 3.06Å; L555-V569 HydrophobicContact CD2-CB 4.41Å; L555-V569 HydrophobicContact CD2-CG1 3.57Å; L555-V569 HydrophobicContact CD2-CG2 4.06Å; V569-V571 HydrophobicContact CG1-CG2 4.42Å; V569-E582 HydrophobicContact CB-CB 4.1Å; V569-E582 HydrophobicContact CG1-CB 3.75Å; V569-E582 HydrophobicContact CG1-CG 4.21Å; V569-E582 PolarHBondContact O-N 3.28Å; V569-T583 VanDerWaalsContact CG2-O 3.3Å; V569-T583 WeakPolarHBondContact CG2-O 3.25Å; V569-L585 HydrophobicContact CG2-CD2 4.1Å; V569-L585 HydrophobicContact CG2-CG 3.93Å
570	H	98.4	Very high	95.7	Very high	6 Å²	6	47.9 Å²	47.9	3%	0.028	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	137.9	174.3	-62.8	147.7	0	0	0	109.2	H540 V554 W579 N581	H540-H570 AromaticContact CD2-ND1 3.49Å; H540-H570 PolarHBondContact CD2-ND1 2.87Å; H540-H570 AromaticContact NE2-CE1 3.62Å; H540-H570 AromaticContact NE2-CG 3.75Å; H540-H570 AromaticContact NE2-ND1 3.03Å; H540-H570 PolarHBondContact NE2-ND1 3.09Å; V554-H570 PolarHBondContact N-O 2.89Å; V554-H570 PolarHBondContact O-N 2.98Å; V554-H570 VanDerWaalsContact O-N 3.12Å; H570-W579 HydrophobicContact CB-CE3 3.8Å; H570-W579 HydrophobicContact CB-CZ3 3.87Å; H570-N581 PolarHBondContact CD2-OD1 3.44Å; H570-N581 VanDerWaalsContact CD2-OD1 3.22Å; H570-N581 PolarHBondContact NE2-OD1 2.79Å
571	V	98.3	Very high	95.8	Very high	0 Å²	0	52 Å²	52	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	122	-177.2	-175	0	0	0	0	108.5	R551 I552 Y553 V569 W579 E580 E582	R551-V571 HydrophobicContact CB-CG1 3.63Å; R551-V571 HydrophobicContact CG-CG1 4.05Å; I552-V571 WeakPolarHBondContact O-CA 3.29Å; Y553-V571 HydrophobicContact CD1-CG1 4.46Å; Y553-V571 HydrophobicContact CD1-CG2 3.45Å; Y553-V571 VanDerWaalsContact CD1-CG2 3.45Å; Y553-V571 HydrophobicContact CD2-CG1 4.37Å; Y553-V571 HydrophobicContact CE1-CG1 4.26Å; Y553-V571 HydrophobicContact CE1-CG2 3.49Å; Y553-V571 VanDerWaalsContact CE1-CG2 3.49Å; Y553-V571 HydrophobicContact CE2-CG1 4.16Å; Y553-V571 HydrophobicContact CG-CG2 4.09Å; V569-V571 HydrophobicContact CG1-CG2 4.42Å; V571-W579 CarbonylContact O-C 3.46Å; V571-W579 WeakPolarHBondContact O-CA 3.17Å; V571-E580 HydrophobicContact CB-CB 4.36Å; V571-E580 PolarHBondContact N-O 2.96Å; V571-E580 PolarHBondContact O-N 3.27Å; V571-E582 HydrophobicContact CG2-CB 3.69Å; V571-E582 HydrophobicContact CG2-CG 4.32Å
572	Y	98.6	Very high	95.8	Very high	7 Å²	7	50.8 Å²	50.8	3%	0.027	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	116.3	173.3	-171.6	-111.3	0	0	0	109.5	Y502 L520 L533 R551 I552 T574 G577 W579	Y502-Y572 HydrophobicContact CD1-CE1 4.26Å; Y502-Y572 HydrophobicContact CE1-CD1 4.32Å; Y502-Y572 AromaticContact CE1-CE1 3.77Å; Y502-Y572 HydrophobicContact CE1-CE1 3.77Å; L520-Y572 HydrophobicContact CD2-CD1 3.9Å; L520-Y572 HydrophobicContact CD2-CD2 3.71Å; L520-Y572 HydrophobicContact CD2-CE1 3.73Å; L520-Y572 HydrophobicContact CD2-CE2 3.52Å; L520-Y572 HydrophobicContact CD2-CG 3.89Å; L533-Y572 HydrophobicContact CD1-CE1 4.26Å; R551-Y572 WeakPolarHBondContact CA-O 3.4Å; I552-Y572 HydrophobicContact CD1-CD1 4.46Å; I552-Y572 PolarHBondContact N-O 2.99Å; I552-Y572 PolarHBondContact O-N 2.81Å; Y572-T574 HydrophobicContact CD1-CG2 3.83Å; Y572-T574 HydrophobicContact CE1-CG2 4.16Å; Y572-T574 PolarHBondContact O-N 3.02Å; Y572-G577 WeakPolarHBondContact CE2-O 3.28Å; Y572-G577 VanDerWaalsContact OH-CA 3.27Å; Y572-G577 WeakPolarHBondContact OH-CA 3.28Å; Y572-W579 AromaticContact CD2-CD2 3.82Å; Y572-W579 HydrophobicContact CD2-CD2 3.82Å; Y572-W579 AromaticContact CD2-CE2 3.56Å; Y572-W579 HydrophobicContact CD2-CE3 4.31Å; Y572-W579 HydrophobicContact CD2-CG 4.22Å; Y572-W579 HydrophobicContact CD2-CH2 4.32Å; Y572-W579 AromaticContact CD2-CZ2 3.86Å; Y572-W579 HydrophobicContact CD2-CZ2 3.86Å; Y572-W579 AromaticContact CD2-NE1 3.77Å; Y572-W579 HydrophobicContact CG-CH2 4.3Å; Y572-W579 HydrophobicContact CG-CZ2 4.23Å
573	N	97.7	Very high	95.9	Very high	16 Å²	16	47.3 Å²	47.3	9%	0.086	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	112.3	173.5	-176.3	-33.9	0	0	0	108.8	R551 D575 T576 G577 E578	R551-N573 PolarHBondContact NH2-ND2 3.36Å; N573-D575 VanDerWaalsContact C-N 3.26Å; N573-D575 PolarHBondContact O-N 2.72Å; N573-D575 WeakPolarHBondContact OD1-CB 3.39Å; N573-D575 PolarHBondContact OD1-N 2.87Å; N573-T576 WeakPolarHBondContact CB-OG1 3.39Å; N573-T576 VanDerWaalsContact CG-OG1 3.27Å; N573-T576 PolarHBondContact OD1-N 3.05Å; N573-T576 VanDerWaalsContact OD1-N 3.15Å; N573-G577 VanDerWaalsContact O-CA 3.31Å; N573-G577 WeakPolarHBondContact O-CA 3.48Å; N573-G577 PolarHBondContact O-N 2.91Å; N573-E578 PolarHBondContact N-O 2.89Å
574	T	96.6	Very high	96.1	Very high	17 Å²	17	48.7 Å²	48.7	10%	0.104	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77	-12.4	-174.6	60.8	0	0	0	0	113.8	A497 N498 Y502 S550 I552 Y572	A497-T574 HydrophobicContact CB-CG2 3.95Å; N498-T574 PolarHBondContact ND2-OG1 2.78Å; Y502-T574 HydrophobicContact CE1-CG2 4.32Å; Y502-T574 HydrophobicContact CE2-CG2 4.23Å; S550-T574 WeakPolarHBondContact O-CB 3.4Å; S550-T574 PolarHBondContact O-N 3.34Å; S550-T574 PolarHBondContact O-OG1 3.44Å; I552-T574 HydrophobicContact CD1-CG2 3.74Å; I552-T574 HydrophobicContact CG1-CG2 3.89Å; Y572-T574 HydrophobicContact CD1-CG2 3.83Å; Y572-T574 HydrophobicContact CE1-CG2 4.16Å; Y572-T574 PolarHBondContact O-N 3.02Å
575	D	95.8	Very high	96.1	Very high	113 Å²	113	45.8 Å²	45.8	60%	0.604	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.4	-40.7	176.4	-59.3	-35	0	0	0	111.5	N498 N573	N498-D575 PolarHBondContact ND2-OD1 3.14Å; N573-D575 VanDerWaalsContact C-N 3.26Å; N573-D575 PolarHBondContact O-N 2.72Å; N573-D575 WeakPolarHBondContact OD1-CB 3.39Å; N573-D575 PolarHBondContact OD1-N 2.87Å
576	T	96.1	Very high	95.8	Very high	81 Å²	81	46.1 Å²	46.1	50%	0.497	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.7	-24.1	-179.8	66.5	0	0	0	0	113.5	N573 E578	N573-T576 WeakPolarHBondContact CB-OG1 3.39Å; N573-T576 VanDerWaalsContact CG-OG1 3.27Å; N573-T576 PolarHBondContact OD1-N 3.05Å; N573-T576 VanDerWaalsContact OD1-N 3.15Å; T576-E578 VanDerWaalsContact C-N 3.33Å; T576-E578 PolarHBondContact OG1-N 2.85Å
577	G	96.1	Very high	95.5	Very high	16 Å²	16	47.8 Å²	47.8	17%	0.165	25%	0.245	C	C	.	.			trans	77.1	17.8	-175.4	0	0	0	0	0	114.5	T534 Y572 N573	T534-G577 WeakPolarHBondContact CB-O 3.32Å; T534-G577 PolarHBondContact OG1-O 2.75Å; Y572-G577 WeakPolarHBondContact CE2-O 3.28Å; Y572-G577 VanDerWaalsContact OH-CA 3.27Å; Y572-G577 WeakPolarHBondContact OH-CA 3.28Å; N573-G577 VanDerWaalsContact O-CA 3.31Å; N573-G577 WeakPolarHBondContact O-CA 3.48Å; N573-G577 PolarHBondContact O-N 2.91Å
578	E	97	Very high	95.3	Very high	127 Å²	127	49 Å²	49	59%	0.593	25%	0.247	S	C	*	.			trans	-106.7	156.4	-176.4	-61.2	-173.4	158	0	0	112.5	N573 T576	N573-E578 PolarHBondContact N-O 2.89Å; T576-E578 VanDerWaalsContact C-N 3.33Å; T576-E578 PolarHBondContact OG1-N 2.85Å
579	W	98.3	Very high	95.1	Very high	40 Å²	40	46.2 Å²	46.2	15%	0.152	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	135.6	174.9	-72.6	99.4	0	0	0	110.9	I504 L520 T534 P535 L536 P537 V554 H570 V571 Y572	I504-W579 HydrophobicContact CG2-CH2 4.12Å; L520-W579 HydrophobicContact CB-CZ2 4.45Å; L520-W579 HydrophobicContact CD2-CZ2 3.81Å; T534-W579 PolarHBondContact O-NE1 3.48Å; P535-W579 VanDerWaalsContact O-CD1 3.29Å; P535-W579 PolarHBondContact O-NE1 3.47Å; P535-W579 VanDerWaalsContact O-NE1 3.07Å; L536-W579 HydrophobicContact CB-CZ2 4.46Å; L536-W579 HydrophobicContact CD2-CE3 4.25Å; L536-W579 HydrophobicContact CD2-CH2 3.19Å; L536-W579 HydrophobicContact CD2-CZ2 3.53Å; L536-W579 HydrophobicContact CD2-CZ3 3.58Å; L536-W579 HydrophobicContact CG-CH2 3.82Å; L536-W579 HydrophobicContact CG-CZ2 3.69Å; P537-W579 HydrophobicContact CG-CB 3.91Å; P537-W579 HydrophobicContact CG-CD2 4.46Å; P537-W579 HydrophobicContact CG-CG 4.05Å; V554-W579 HydrophobicContact CG2-CH2 4.05Å; V554-W579 HydrophobicContact CG2-CZ3 3.91Å; H570-W579 HydrophobicContact CB-CE3 3.8Å; H570-W579 HydrophobicContact CB-CZ3 3.87Å; V571-W579 CarbonylContact O-C 3.46Å; V571-W579 WeakPolarHBondContact O-CA 3.17Å; Y572-W579 AromaticContact CD2-CD2 3.82Å; Y572-W579 HydrophobicContact CD2-CD2 3.82Å; Y572-W579 AromaticContact CD2-CE2 3.56Å; Y572-W579 HydrophobicContact CD2-CE3 4.31Å; Y572-W579 HydrophobicContact CD2-CG 4.22Å; Y572-W579 HydrophobicContact CD2-CH2 4.32Å; Y572-W579 AromaticContact CD2-CZ2 3.86Å; Y572-W579 HydrophobicContact CD2-CZ2 3.86Å; Y572-W579 AromaticContact CD2-NE1 3.77Å; Y572-W579 HydrophobicContact CG-CH2 4.3Å; Y572-W579 HydrophobicContact CG-CZ2 4.23Å
580	E	96.9	Very high	94.9	Very high	65 Å²	65	46.1 Å²	46.1	30%	0.304	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	146.6	173.6	-60	174.5	-152.1	0	0	109.3	R551 V571	R551-E580 IonicContact CZ-OE1 3.61Å; R551-E580 IonicContact CZ-OE2 3.42Å; R551-E580 VanDerWaalsContact NH1-CD 3.34Å; R551-E580 IonicContact NH1-OE1 3.81Å; R551-E580 PolarHBondContact NH1-OE1 2.96Å; R551-E580 IonicContact NH1-OE2 2.91Å; R551-E580 PolarHBondContact NH1-OE2 2.85Å; R551-E580 IonicContact NH2-OE1 2.79Å; R551-E580 PolarHBondContact NH2-OE1 3.09Å; R551-E580 IonicContact NH2-OE2 3.26Å; R551-E580 PolarHBondContact NH2-OE2 3.04Å; V571-E580 HydrophobicContact CB-CB 4.36Å; V571-E580 PolarHBondContact N-O 2.96Å; V571-E580 PolarHBondContact O-N 3.27Å
581	N	95.4	Very high	94.7	Very high	128 Å²	128	46 Å²	46	68%	0.684	24%	0.236	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-91.9	127.2	169.3	-65.9	-56.8	0	0	0	108	H570	H570-N581 PolarHBondContact CD2-OD1 3.44Å; H570-N581 VanDerWaalsContact CD2-OD1 3.22Å; H570-N581 PolarHBondContact NE2-OD1 2.79Å
582	E	94.1	Very high	94.4	Very high	48 Å²	48	46.3 Å²	46.3	22%	0.224	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	169.3	174.9	-169.7	50.4	-97.2	0	0	109.9	F327 Y553 V569 V571 E584	F327-E582 HydrophobicContact CE1-CG 4.15Å; F327-E582 HydrophobicContact CZ-CG 3.99Å; Y553-E582 HydrophobicContact CE1-CG 4.28Å; V569-E582 HydrophobicContact CB-CB 4.1Å; V569-E582 HydrophobicContact CG1-CB 3.75Å; V569-E582 HydrophobicContact CG1-CG 4.21Å; V569-E582 PolarHBondContact O-N 3.28Å; V571-E582 HydrophobicContact CG2-CB 3.69Å; V571-E582 HydrophobicContact CG2-CG 4.32Å; E582-E584 PolarHBondContact O-N 3.47Å; E582-E584 VanDerWaalsContact O-N 3.16Å
583	T	93.4	Very high	94.3	Very high	39 Å²	39	46.1 Å²	46.1	24%	0.239	24%	0.238	C	C	.	.			trans	-43.5	120.8	171.2	-56.3	0	0	0	0	111.3	T332 W334 V569	T332-T583 WeakPolarHBondContact O-CG2 3.39Å; W334-T583 PolarHBondContact NE1-O 3.28Å; V569-T583 VanDerWaalsContact CG2-O 3.3Å; V569-T583 WeakPolarHBondContact CG2-O 3.25Å
584	E	94.9	Very high	94.3	Very high	77 Å²	77	45.7 Å²	45.7	36%	0.36	24%	0.236	S	C	.	.			trans	-68.1	152.1	179.1	-64.7	-179.5	137.6	0	0	111.9	K567 Y568 E582	K567-E584 HydrophobicContact CB-CB 4.41Å; K567-E584 HydrophobicContact CD-CB 4.16Å; K567-E584 HydrophobicContact CD-CG 4.48Å; K567-E584 VanDerWaalsContact CD-OE2 3.26Å; K567-E584 WeakPolarHBondContact CD-OE2 3.38Å; K567-E584 VanDerWaalsContact CE-CD 3.44Å; K567-E584 WeakPolarHBondContact CE-OE1 3.41Å; K567-E584 WeakPolarHBondContact CE-OE2 3.06Å; K567-E584 HydrophobicContact CG-CB 4.26Å; K567-E584 HydrophobicContact CG-CG 4.44Å; K567-E584 IonicContact NZ-OE1 3.07Å; K567-E584 IonicContact NZ-OE2 2.68Å; K567-E584 PolarHBondContact NZ-OE2 3.07Å; K567-E584 CarbonylContact O-C 3.53Å; K567-E584 WeakPolarHBondContact O-CA 3.45Å; K567-E584 WeakPolarHBondContact O-CB 3.41Å; Y568-E584 HydrophobicContact CD1-CG 4.46Å; Y568-E584 WeakPolarHBondContact CD1-OE1 3.28Å; Y568-E584 WeakPolarHBondContact CE1-OE1 3.48Å; E582-E584 PolarHBondContact O-N 3.47Å; E582-E584 VanDerWaalsContact O-N 3.16Å
585	L	93.4	Very high	94.3	Very high	3 Å²	3	45.3 Å²	45.3	2%	0.016	23%	0.234	C	C	.	.			trans	-64.3	144.9	170.4	-57.9	176.7	0	0	0	110.2	W334 K567 V569 R587 I589	W334-L585 HydrophobicContact CD2-CD2 3.5Å; W334-L585 VanDerWaalsContact CE2-CD2 3.47Å; W334-L585 HydrophobicContact CE3-CD2 3.88Å; W334-L585 HydrophobicContact CG-CD2 3.94Å; W334-L585 HydrophobicContact CH2-CD2 4.22Å; W334-L585 HydrophobicContact CZ2-CD2 3.86Å; W334-L585 HydrophobicContact CZ3-CD2 4.22Å; K567-L585 HydrophobicContact CB-CB 4.5Å; K567-L585 WeakPolarHBondContact CB-O 3.38Å; K567-L585 PolarHBondContact O-N 3.44Å; V569-L585 HydrophobicContact CG2-CD2 4.1Å; V569-L585 HydrophobicContact CG2-CG 3.93Å; L585-R587 PolarHBondContact O-N 3.14Å; L585-R587 VanDerWaalsContact O-N 3.1Å; L585-I589 HydrophobicContact CD1-CG2 3.53Å
586	S	87.2	Confident	94.5	Very high	52 Å²	52	41.3 Å²	41.3	36%	0.364	21%	0.214	S	C	.	.	S	Bend	trans	-60.2	-23.8	176.4	57.6	0	0	0	0	113
587	R	87.6	Confident	94.5	Very high	36 Å²	36	37.6 Å²	37.6	14%	0.136	19%	0.191	C	C	.	.	S	Bend	trans	-135.8	151.9	-175.5	-60.1	-176.9	68.6	-173.7	-2.2	112.1	F312 S314 L585 I589 W610	F312-R587 HydrophobicContact CD1-CB 3.89Å; F312-R587 HydrophobicContact CE1-CB 4.11Å; S314-R587 PolarHBondContact OG-NH2 2.92Å; L585-R587 PolarHBondContact O-N 3.14Å; L585-R587 VanDerWaalsContact O-N 3.1Å; R587-I589 PolarHBondContact O-N 3.33Å; R587-W610 VanDerWaalsContact CD-CH2 3.44Å; R587-W610 HydrophobicContact CG-CH2 4.38Å; R587-W610 HydrophobicContact CG-CZ2 4.22Å
588	R	91.4	Very high	94.5	Very high	96 Å²	96	37.7 Å²	37.7	36%	0.362	19%	0.187	S	C	.	.			trans	-75.1	121.5	173	-64.6	175.2	-179.1	-78.7	-3.6	109.7	F312 S313 R565 M566	F312-R588 WeakPolarHBondContact CA-O 3.38Å; S313-R588 PolarHBondContact N-O 2.79Å; R565-R588 HydrophobicContact CB-CB 3.83Å; R565-R588 VanDerWaalsContact O-CD 3.28Å; R565-R588 WeakPolarHBondContact O-CD 3.35Å; R565-R588 WeakPolarHBondContact O-CG 3.34Å; R565-R588 PolarHBondContact O-NH1 3.15Å; M566-R588 WeakPolarHBondContact O-CA 3.42Å
589	I	92.1	Very high	94.5	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.005	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	145.7	-173.7	-166.4	172	0	0	0	111.7	G309 M311 F312 G556 G557 M566 L585 R587 L592	G309-I589 WeakPolarHBondContact O-CD1 3.36Å; M311-I589 WeakPolarHBondContact O-CA 3.38Å; F312-I589 HydrophobicContact CD1-CB 4.04Å; F312-I589 HydrophobicContact CD1-CD1 4.07Å; F312-I589 HydrophobicContact CD1-CG1 4.06Å; F312-I589 HydrophobicContact CE1-CB 3.98Å; F312-I589 HydrophobicContact CE1-CD1 3.38Å; F312-I589 HydrophobicContact CE1-CG1 3.87Å; F312-I589 HydrophobicContact CE2-CD1 3.93Å; F312-I589 HydrophobicContact CZ-CD1 3.3Å; F312-I589 HydrophobicContact CZ-CG1 4.15Å; G556-I589 CarbonylContact C-O 3.57Å; G557-I589 CarbonylContact C-O 3.52Å; G557-I589 WeakPolarHBondContact CA-O 3.47Å; G557-I589 PolarHBondContact N-O 2.68Å; G557-I589 VanDerWaalsContact O-O 3.04Å; M566-I589 PolarHBondContact O-N 2.89Å; M566-I589 VanDerWaalsContact O-N 3.15Å; L585-I589 HydrophobicContact CD1-CG2 3.53Å; R587-I589 PolarHBondContact O-N 3.33Å; I589-L592 HydrophobicContact CD1-CB 4.28Å; I589-L592 HydrophobicContact CD1-CD1 3.65Å
590	S	93.6	Very high	94.3	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	158.7	166	76.4	0	0	0	0	110.8	G310 M311 E542 R565 L592	G310-S590 CarbonylContact C-O 3.56Å; G310-S590 WeakPolarHBondContact CA-O 3.3Å; M311-S590 PolarHBondContact N-O 3.29Å; M311-S590 PolarHBondContact O-N 3.21Å; M311-S590 VanDerWaalsContact O-N 3.08Å; E542-S590 WeakPolarHBondContact OE2-CB 3.38Å; E542-S590 PolarHBondContact OE2-OG 3.12Å; R565-S590 PolarHBondContact NE-OG 3.15Å; R565-S590 VanDerWaalsContact NE-OG 3.16Å; S590-L592 VanDerWaalsContact C-N 3.3Å; S590-L592 PolarHBondContact O-N 2.72Å
591	G	93.2	Very high	94	Very high	3 Å²	3	29.5 Å²	29.5	3%	0.031	16%	0.156	C	C	.	.	S	Bend	trans	68.3	30.1	-177.4	0	0	0	0	0	113.5	G310 S346 N347 E542	G310-G591 WeakPolarHBondContact CA-O 3.41Å; S346-G591 WeakPolarHBondContact CA-O 3.28Å; S346-G591 WeakPolarHBondContact CB-O 3.42Å; N347-G591 PolarHBondContact N-O 3.24Å; N347-G591 WeakPolarHBondContact OD1-CA 3.39Å; E542-G591 WeakPolarHBondContact O-CA 3.46Å; E542-G591 PolarHBondContact O-N 3.39Å
592	L	93.8	Very high	93.7	Very high	8 Å²	8	25.3 Å²	25.3	4%	0.042	14%	0.14	C	C	.	.			trans	-73	131.5	175.6	-178.1	77.3	0	0	0	109.2	G544 L555 I589 S590	G544-L592 VanDerWaalsContact CA-O 3.25Å; G544-L592 WeakPolarHBondContact CA-O 3.39Å; L555-L592 HydrophobicContact CB-CD2 3.79Å; L555-L592 HydrophobicContact CD1-CD2 3.89Å; I589-L592 HydrophobicContact CD1-CB 4.28Å; I589-L592 HydrophobicContact CD1-CD1 3.65Å; S590-L592 VanDerWaalsContact C-N 3.3Å; S590-L592 PolarHBondContact O-N 2.72Å
593	A	95.4	Very high	93.6	Very high	3 Å²	3	23.3 Å²	23.3	3%	0.025	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	119.2	169.2	0	0	0	0	0	108.7	G307 F308 Q348 I350 L359	G307-A593 WeakPolarHBondContact CA-O 3.41Å; F308-A593 HydrophobicContact CB-CB 4.46Å; F308-A593 PolarHBondContact N-O 2.83Å; F308-A593 PolarHBondContact O-N 3.11Å; Q348-A593 HydrophobicContact CB-CB 4.21Å; I350-A593 HydrophobicContact CB-CB 4.05Å; I350-A593 HydrophobicContact CD1-CB 3.97Å; I350-A593 HydrophobicContact CG2-CB 4.29Å; L359-A593 HydrophobicContact CD2-CB 3.89Å
594	A	97.5	Very high	93.6	Very high	6 Å²	6	22 Å²	22	5%	0.05	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	146.9	-175.5	0	0	0	0	0	112.6	L306 I350 I545 A546 L555	L306-A594 WeakPolarHBondContact O-CA 3.3Å; I350-A594 WeakPolarHBondContact CG2-O 3.19Å; I545-A594 CarbonylContact O-C 3.56Å; I545-A594 VanDerWaalsContact O-O 3.06Å; A546-A594 HydrophobicContact CB-CB 4.49Å; L555-A594 HydrophobicContact CD1-CB 3.66Å
595	C	98	Very high	93.4	Very high	9 Å²	9	21.5 Å²	21.5	6%	0.061	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	175.4	177.8	69.3	0	0	0	0	111.4	I305 L306 I350 V352	I305-C595 CarbonylContact C-O 3.54Å; I305-C595 WeakPolarHBondContact CA-O 3.41Å; L306-C595 PolarHBondContact N-O 3.06Å; L306-C595 PolarHBondContact O-N 3.13Å; I350-C595 HydrophobicContact CD1-CB 3.72Å; I350-C595 HydrophobicContact CG1-CB 4.17Å; V352-C595 HydrophobicContact CG2-CB 3.51Å
596	V	98.3	Very high	93.3	Very high	30 Å²	30	26.3 Å²	26.3	18%	0.182	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	135.1	169.7	177.9	0	0	0	0	109	H303 C304 I305 A546 V547 L548	H303-V596 HydrophobicContact CB-CG1 4.01Å; C304-V596 WeakPolarHBondContact O-CA 3.33Å; I305-V596 HydrophobicContact CG1-CG2 4.08Å; A546-V596 HydrophobicContact CB-CG2 4.02Å; V547-V596 VanDerWaalsContact O-CG2 3.27Å; V547-V596 WeakPolarHBondContact O-CG2 3.25Å; L548-V596 HydrophobicContact CB-CG2 4.08Å; L548-V596 HydrophobicContact CD1-CG1 4.01Å
597	T	97.3	Very high	93.4	Very high	3 Å²	3	24.1 Å²	24.1	2%	0.018	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	153.1	175.5	-149.3	0	0	0	0	110.2	C304 L306 N355 P380 M599	C304-T597 PolarHBondContact N-O 2.72Å; C304-T597 PolarHBondContact O-N 2.76Å; L306-T597 HydrophobicContact CD1-CG2 3.4Å; L306-T597 HydrophobicContact CG-CG2 3.9Å; N355-T597 PolarHBondContact O-OG1 2.96Å; N355-T597 PolarHBondContact OD1-OG1 3.47Å; P380-T597 HydrophobicContact CB-CG2 4.1Å; P380-T597 HydrophobicContact CG-CG2 4.49Å; T597-M599 HydrophobicContact CG2-CG 3.71Å; T597-M599 HydrophobicContact CG2-SD 3.37Å; T597-M599 WeakPolarHBondContact CG2-SD 3.28Å; T597-M599 PolarHBondContact O-N 2.96Å
598	L	96.6	Very high	93.3	Very high	17 Å²	17	28.3 Å²	28.3	9%	0.089	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	115.5	170.9	-176.5	65.6	0	0	0	109.8	P298 S300 N355	P298-L598 HydrophobicContact CG-CD2 4.17Å; P298-L598 HydrophobicContact CG-CG 4.38Å; S300-L598 WeakPolarHBondContact O-CD1 3.15Å; N355-L598 PolarHBondContact ND2-O 3.4Å; N355-L598 WeakPolarHBondContact OD1-CB 3.21Å; N355-L598 PolarHBondContact OD1-N 3.45Å; N355-L598 PolarHBondContact OD1-O 2.54Å
599	M	95.8	Very high	92.8	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	14%	0.139	C	C	.	.			trans	-105.9	131.4	-175.6	-68.8	-64.8	-69.2	0	0	111.5	S300 F302 C304 L306 L337 Y378 P380 T597 V603 L604	S300-M599 VanDerWaalsContact CB-O 3.28Å; S300-M599 WeakPolarHBondContact CB-O 3.27Å; S300-M599 PolarHBondContact OG-O 3.02Å; F302-M599 PolarHBondContact O-N 2.75Å; C304-M599 HydrophobicContact CB-CB 4.42Å; C304-M599 HydrophobicContact CB-CG 3.8Å; L306-M599 HydrophobicContact CD1-SD 4.01Å; L306-M599 HydrophobicContact CD2-CG 4.31Å; L306-M599 HydrophobicContact CD2-SD 4.31Å; L337-M599 HydrophobicContact CD1-CE 3.72Å; Y378-M599 HydrophobicContact CE1-SD 4.49Å; P380-M599 HydrophobicContact CB-SD 3.47Å; P380-M599 WeakPolarHBondContact CB-SD 3.36Å; T597-M599 HydrophobicContact CG2-CG 3.71Å; T597-M599 HydrophobicContact CG2-SD 3.37Å; T597-M599 WeakPolarHBondContact CG2-SD 3.28Å; T597-M599 PolarHBondContact O-N 2.96Å; M599-V603 HydrophobicContact CE-CB 4.4Å; M599-V603 HydrophobicContact CE-CG1 3.59Å; M599-L604 HydrophobicContact CB-CD1 3.94Å; M599-L604 HydrophobicContact CB-CD2 3.66Å; M599-L604 HydrophobicContact CB-CG 3.81Å; M599-L604 HydrophobicContact CE-CD2 4.38Å; M599-L604 HydrophobicContact CG-CD2 4.13Å
600	P	93.6	Very high	91.6	Very high	14 Å²	14	26.9 Å²	26.9	9%	0.091	15%	0.15	C	C	.	.			trans	-65.5	141	174.6	-12.7	23.1	0	0	0	112.2	P298 P380 A602 V603 L604	P298-P600 HydrophobicContact CB-CB 4.32Å; P298-P600 HydrophobicContact CB-CG 3.86Å; P298-P600 HydrophobicContact CG-CG 4.41Å; P380-P600 WeakPolarHBondContact O-CD 3.48Å; P380-P600 WeakPolarHBondContact O-CG 3.23Å; P600-A602 VanDerWaalsContact C-N 3.25Å; P600-A602 PolarHBondContact O-N 2.96Å; P600-V603 HydrophobicContact CB-CG2 4.28Å; P600-V603 HydrophobicContact CG-CB 4.49Å; P600-V603 HydrophobicContact CG-CG2 4.03Å; P600-V603 PolarHBondContact O-N 3.14Å; P600-L604 PolarHBondContact O-N 3.14Å
601	P	90.9	Very high	90.3	Very high	47 Å²	47	32.4 Å²	32.4	31%	0.305	18%	0.179	S	C	.	.	H	α-helix	trans	-54.5	-38.8	175.5	-27.7	35.7	0	0	0	113.6	R299 F302 V603 L604 A605	R299-P601 WeakPolarHBondContact O-CD 3.18Å; F302-P601 HydrophobicContact CD2-CG 4.46Å; P601-V603 VanDerWaalsContact C-N 3.29Å; P601-V603 PolarHBondContact O-N 3.16Å; P601-L604 PolarHBondContact O-N 3.45Å; P601-A605 PolarHBondContact O-N 3.47Å
602	A	89.4	Confident	89	Confident	40 Å²	40	37.7 Å²	37.7	33%	0.331	20%	0.203	S	C	.	.	H	α-helix	trans	-61.6	-33.7	177.9	0	0	0	0	0	113.3	A213 P600 Q606	A213-A602 WeakPolarHBondContact O-CB 3.26Å; P600-A602 VanDerWaalsContact C-N 3.25Å; P600-A602 PolarHBondContact O-N 2.96Å; A602-Q606 PolarHBondContact O-NE2 3.12Å
603	V	92.6	Very high	87.4	Confident	6 Å²	6	39.3 Å²	39.3	4%	0.036	21%	0.209	C	C	.	.	H	α-helix	trans	-76	-43.3	173.7	175.6	0	0	0	0	110.1	L337 N383 M599 P600 P601 A605 Q606	L337-V603 HydrophobicContact CD1-CG1 4.13Å; L337-V603 HydrophobicContact CD2-CG1 4.39Å; L337-V603 WeakPolarHBondContact CD2-O 3.08Å; N383-V603 HydrophobicContact CB-CG1 3.82Å; N383-V603 HydrophobicContact CB-CG2 4.31Å; M599-V603 HydrophobicContact CE-CB 4.4Å; M599-V603 HydrophobicContact CE-CG1 3.59Å; P600-V603 HydrophobicContact CB-CG2 4.28Å; P600-V603 HydrophobicContact CG-CB 4.49Å; P600-V603 HydrophobicContact CG-CG2 4.03Å; P600-V603 PolarHBondContact O-N 3.14Å; P601-V603 VanDerWaalsContact C-N 3.29Å; P601-V603 PolarHBondContact O-N 3.16Å; V603-A605 PolarHBondContact O-N 2.72Å; V603-Q606 VanDerWaalsContact O-CB 3.3Å; V603-Q606 WeakPolarHBondContact O-CB 3.48Å; V603-Q606 PolarHBondContact O-N 3.41Å
604	L	93	Very high	85.7	Confident	10 Å²	10	41.7 Å²	41.7	5%	0.052	22%	0.224	C	C	.	.	H	α-helix	trans	-62.9	-27.8	178.1	-63.7	173.4	0	0	0	113	F302 V326 W331 M599 P600 P601 Q606 A607	F302-L604 HydrophobicContact CB-CD1 3.67Å; F302-L604 HydrophobicContact CD1-CD1 4.18Å; F302-L604 HydrophobicContact CG-CD1 3.91Å; V326-L604 HydrophobicContact CG2-CD2 3.94Å; W331-L604 HydrophobicContact CH2-CB 4.46Å; W331-L604 HydrophobicContact CH2-CD2 3.85Å; W331-L604 HydrophobicContact CZ2-CD1 4.45Å; W331-L604 HydrophobicContact CZ2-CD2 4.41Å; M599-L604 HydrophobicContact CB-CD1 3.94Å; M599-L604 HydrophobicContact CB-CD2 3.66Å; M599-L604 HydrophobicContact CB-CG 3.81Å; M599-L604 HydrophobicContact CE-CD2 4.38Å; M599-L604 HydrophobicContact CG-CD2 4.13Å; P600-L604 PolarHBondContact O-N 3.14Å; P601-L604 PolarHBondContact O-N 3.45Å; L604-Q606 PolarHBondContact O-N 2.94Å; L604-A607 WeakPolarHBondContact O-CB 3.46Å; L604-A607 PolarHBondContact O-N 2.97Å
605	A	90.8	Very high	83.9	Confident	68 Å²	68	48.1 Å²	48.1	56%	0.562	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-21.7	173.6	0	0	0	0	0	113.3	P601 V603 A607 R608	P601-A605 PolarHBondContact O-N 3.47Å; V603-A605 PolarHBondContact O-N 2.72Å; A605-A607 VanDerWaalsContact C-N 3.35Å; A605-R608 PolarHBondContact O-NH1 2.77Å
606	Q	90.9	Very high	81.9	Confident	104 Å²	104	50 Å²	50	49%	0.486	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-16.3	174.6	-54.7	170	31.2	0	0	111.9	L337 A602 V603 L604 R608	L337-Q606 HydrophobicContact CD2-CB 4.03Å; A602-Q606 PolarHBondContact O-NE2 3.12Å; V603-Q606 VanDerWaalsContact O-CB 3.3Å; V603-Q606 WeakPolarHBondContact O-CB 3.48Å; V603-Q606 PolarHBondContact O-N 3.41Å; L604-Q606 PolarHBondContact O-N 2.94Å; Q606-R608 PolarHBondContact O-N 3.07Å
607	A	90.1	Very high	79.9	Confident	6 Å²	6	50.7 Å²	50.7	5%	0.05	27%	0.273	C	S	.	.			trans	-68	130.9	-178.8	0	0	0	0	0	110.1	V326 R335 T336 L337 L604 A605	V326-A607 HydrophobicContact CG1-CB 3.96Å; R335-A607 HydrophobicContact CB-CB 3.8Å; T336-A607 WeakPolarHBondContact O-CA 3.42Å; L337-A607 HydrophobicContact CD2-CB 3.77Å; L337-A607 HydrophobicContact CG-CB 3.93Å; L604-A607 WeakPolarHBondContact O-CB 3.46Å; L604-A607 PolarHBondContact O-N 2.97Å; A605-A607 VanDerWaalsContact C-N 3.35Å
608	R	85.8	Confident	77.6	Confident	123 Å²	123	53.2 Å²	53.2	46%	0.464	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	145.2	-179.7	-62.1	-66.9	-179.2	-111.1	1.1	110.6	R335 T336 A605 Q606 Q612	R335-R608 CarbonylContact C-O 3.57Å; R335-R608 WeakPolarHBondContact CA-O 3.47Å; R335-R608 WeakPolarHBondContact CB-O 3.48Å; T336-R608 PolarHBondContact N-O 3.48Å; T336-R608 PolarHBondContact O-N 2.77Å; T336-R608 VanDerWaalsContact O-N 3.08Å; A605-R608 PolarHBondContact O-NH1 2.77Å; Q606-R608 PolarHBondContact O-N 3.07Å; R608-Q612 HydrophobicContact CB-CB 4.43Å
609	G	80.7	Confident	75.1	Confident	3 Å²	3	57.2 Å²	57.2	3%	0.031	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63	155.7	166.3	0	0	0	0	0	110.4	D611 Q612 Y613	G609-D611 VanDerWaalsContact C-N 3.33Å; G609-D611 PolarHBondContact O-N 3.36Å; G609-Q612 PolarHBondContact O-N 2.87Å; G609-Y613 PolarHBondContact O-N 3.3Å
610	W	66.4	Low	72.6	Confident	65 Å²	65	62.7 Å²	62.7	25%	0.246	34%	0.341	C	S	.	.	H	α-helix	trans	-59.4	-42.1	-174.4	-178.3	-97.5	0	0	0	112.9	R587 Q612 Y613 T614	R587-W610 VanDerWaalsContact CD-CH2 3.44Å; R587-W610 HydrophobicContact CG-CH2 4.38Å; R587-W610 HydrophobicContact CG-CZ2 4.22Å; W610-Q612 VanDerWaalsContact C-N 3.34Å; W610-Q612 PolarHBondContact O-N 3.32Å; W610-Y613 HydrophobicContact CZ3-CD1 4.34Å; W610-Y613 WeakPolarHBondContact O-CB 3.32Å; W610-Y613 PolarHBondContact O-N 3.32Å; W610-T614 HydrophobicContact CZ2-CG2 4.04Å; W610-T614 PolarHBondContact O-N 3.43Å; W610-T614 PolarHBondContact O-OG1 3.16Å
611	D	66.7	Low	70.2	Confident	115 Å²	115	64.1 Å²	64.1	62%	0.615	35%	0.354	S	S	*	.	H	α-helix	trans	-67	-35.9	-178.9	-64.9	-20.6	0	0	0	112.3	G609 T614 K615	G609-D611 VanDerWaalsContact C-N 3.33Å; G609-D611 PolarHBondContact O-N 3.36Å; D611-T614 PolarHBondContact O-OG1 3.39Å; D611-K615 WeakPolarHBondContact O-CG 3.38Å; D611-K615 PolarHBondContact O-N 2.97Å
612	Q	65.6	Low	67.7	Low	114 Å²	114	67.6 Å²	67.6	53%	0.533	37%	0.37	S	S	.	.	H	α-helix	trans	-67.9	-39.5	174.5	-66.2	176.8	-1.2	0	0	111	R608 G609 W610 K615 A616	R608-Q612 HydrophobicContact CB-CB 4.43Å; G609-Q612 PolarHBondContact O-N 2.87Å; W610-Q612 VanDerWaalsContact C-N 3.34Å; W610-Q612 PolarHBondContact O-N 3.32Å; Q612-K615 PolarHBondContact O-N 3.41Å; Q612-A616 WeakPolarHBondContact O-CB 3.18Å; Q612-A616 PolarHBondContact O-N 3.18Å
613	Y	59.5	Low	65.6	Low	42 Å²	42	71.3 Å²	71.3	17%	0.165	38%	0.383	C	S	.	.	H	α-helix	trans	-61.6	-48	175.7	179.7	-93.4	0	0	0	111.7	D319 V323 G609 W610 K615 A616 S617	D319-Y613 PolarHBondContact O-OH 2.85Å; D319-Y613 VanDerWaalsContact O-OH 3.12Å; V323-Y613 HydrophobicContact CG1-CE2 3.9Å; G609-Y613 PolarHBondContact O-N 3.3Å; W610-Y613 HydrophobicContact CZ3-CD1 4.34Å; W610-Y613 WeakPolarHBondContact O-CB 3.32Å; W610-Y613 PolarHBondContact O-N 3.32Å; Y613-K615 VanDerWaalsContact C-N 3.28Å; Y613-K615 PolarHBondContact O-N 3.04Å; Y613-A616 PolarHBondContact O-N 2.78Å; Y613-S617 PolarHBondContact O-N 3.21Å; Y613-S617 PolarHBondContact O-OG 3.46Å
614	T	59.4	Low	62.9	Low	54 Å²	54	78.1 Å²	78.1	33%	0.331	42%	0.42	S	S	.	.	H	α-helix	trans	-63.2	-33.5	-179.3	50	0	0	0	0	113.4	W610 D611 S617 S618	W610-T614 HydrophobicContact CZ2-CG2 4.04Å; W610-T614 PolarHBondContact O-N 3.43Å; W610-T614 PolarHBondContact O-OG1 3.16Å; D611-T614 PolarHBondContact O-OG1 3.39Å; T614-S617 WeakPolarHBondContact CA-OG 3.49Å; T614-S617 PolarHBondContact O-OG 3.37Å; T614-S618 PolarHBondContact O-N 3.18Å; T614-S618 PolarHBondContact O-OG 3.25Å
615	K	59.6	Low	60.3	Low	140 Å²	140	84.4 Å²	84.4	61%	0.609	45%	0.453	S	S	*	.	H	α-helix	trans	-72.8	-43.5	175.9	-71.7	177	-178.9	-179.3	0	112.2	D611 Q612 Y613 S617 S618 D619	D611-K615 WeakPolarHBondContact O-CG 3.38Å; D611-K615 PolarHBondContact O-N 2.97Å; Q612-K615 PolarHBondContact O-N 3.41Å; Y613-K615 VanDerWaalsContact C-N 3.28Å; Y613-K615 PolarHBondContact O-N 3.04Å; K615-S617 VanDerWaalsContact C-N 3.3Å; K615-S617 PolarHBondContact O-N 3.21Å; K615-S618 WeakPolarHBondContact CA-OG 2.97Å; K615-S618 PolarHBondContact O-N 2.69Å; K615-S618 PolarHBondContact O-OG 3.36Å; K615-D619 VanDerWaalsContact O-CG 3.29Å; K615-D619 PolarHBondContact O-N 3.35Å
616	A	56.7	Low	57.7	Low	49 Å²	49	85.4 Å²	85.4	41%	0.405	46%	0.456	S	S	.	.	H	α-helix	trans	-61.8	-40.2	175.2	0	0	0	0	0	111.7	Q612 Y613 S618 D619 D620	Q612-A616 WeakPolarHBondContact O-CB 3.18Å; Q612-A616 PolarHBondContact O-N 3.18Å; Y613-A616 PolarHBondContact O-N 2.78Å; A616-S618 VanDerWaalsContact C-N 3.31Å; A616-S618 PolarHBondContact O-N 3.08Å; A616-D619 PolarHBondContact O-N 3.07Å; A616-D620 PolarHBondContact O-N 2.81Å; A616-D620 VanDerWaalsContact O-N 3.07Å
617	S	55.8	Low	55.1	Low	44 Å²	44	89.2 Å²	89.2	31%	0.308	47%	0.474	S	S	.	.	H	α-helix	trans	-68.1	-27.5	176.3	66	0	0	0	0	113.9	Y613 T614 K615 A621	Y613-S617 PolarHBondContact O-N 3.21Å; Y613-S617 PolarHBondContact O-OG 3.46Å; T614-S617 WeakPolarHBondContact CA-OG 3.49Å; T614-S617 PolarHBondContact O-OG 3.37Å; K615-S617 VanDerWaalsContact C-N 3.3Å; K615-S617 PolarHBondContact O-N 3.21Å; S617-A621 WeakPolarHBondContact O-CB 3.47Å; S617-A621 PolarHBondContact O-N 3.14Å
618	S	49.9	Very low	52.7	Low	56 Å²	56	98.4 Å²	98.4	39%	0.392	52%	0.516	S	S	.	.	H	α-helix	trans	-76.2	-38.2	174.5	56.3	0	0	0	0	111.7	T614 K615 A616 A621 D622	T614-S618 PolarHBondContact O-N 3.18Å; T614-S618 PolarHBondContact O-OG 3.25Å; K615-S618 WeakPolarHBondContact CA-OG 2.97Å; K615-S618 PolarHBondContact O-N 2.69Å; K615-S618 PolarHBondContact O-OG 3.36Å; A616-S618 VanDerWaalsContact C-N 3.31Å; A616-S618 PolarHBondContact O-N 3.08Å; S618-A621 PolarHBondContact O-N 3.26Å; S618-D622 PolarHBondContact O-N 2.92Å
619	D	43.3	Very low	50.5	Low	102 Å²	102	98 Å²	98	55%	0.545	53%	0.532	S	S	.	.	H	α-helix	trans	-70.6	-35.8	-179.4	-64	-12	0	0	0	111.8	K615 A616 D622 I623	K615-D619 VanDerWaalsContact O-CG 3.29Å; K615-D619 PolarHBondContact O-N 3.35Å; A616-D619 PolarHBondContact O-N 3.07Å; D619-D622 PolarHBondContact O-N 3.45Å; D619-I623 WeakPolarHBondContact O-CG1 3.45Å
620	D	43.5	Very low	48.5	Very low	114 Å²	114	102.9 Å²	102.9	61%	0.61	57%	0.566	S	S	*	*	H	α-helix	trans	-69.6	-31.6	174.3	-79.5	-21.7	0	0	0	112.6	A616 D622 I623	A616-D620 PolarHBondContact O-N 2.81Å; A616-D620 VanDerWaalsContact O-N 3.07Å; D620-D622 VanDerWaalsContact C-N 3.33Å; D620-I623 PolarHBondContact O-N 3.49Å
621	A	42.6	Very low	47.2	Very low	44 Å²	44	108.6 Å²	108.6	36%	0.364	60%	0.595	S	S	.	*	H	α-helix	trans	-74.7	-21.6	178.4	0	0	0	0	0	113.6	S617 S618 N625	S617-A621 WeakPolarHBondContact O-CB 3.47Å; S617-A621 PolarHBondContact O-N 3.14Å; S618-A621 PolarHBondContact O-N 3.26Å; A621-N625 PolarHBondContact O-ND2 3.45Å
622	D	40.1	Very low	45.8	Very low	120 Å²	120	114.4 Å²	114.4	64%	0.642	63%	0.626	S	S	*	*	H	α-helix	trans	-82.7	-21	175.7	-79.2	-20.8	0	0	0	112.4	S618 D619 D620	S618-D622 PolarHBondContact O-N 2.92Å; D619-D622 PolarHBondContact O-N 3.45Å; D620-D622 VanDerWaalsContact C-N 3.33Å
623	I	43.5	Very low	44.8	Very low	118 Å²	118	114.5 Å²	114.5	61%	0.605	63%	0.631	S	S	*	*	H	α-helix	trans	-78.1	-38.9	177.3	-64.7	169.8	0	0	0	110.8	D619 D620 N625 S626	D619-I623 WeakPolarHBondContact O-CG1 3.45Å; D620-I623 PolarHBondContact O-N 3.49Å; I623-N625 VanDerWaalsContact C-N 3.29Å; I623-N625 PolarHBondContact O-N 3.36Å; I623-S626 PolarHBondContact O-N 3.31Å; I623-S626 PolarHBondContact O-OG 3.04Å
624	D	37	Very low	44	Very low	150 Å²	150	118.3 Å²	118.3	80%	0.802	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.3	-9.4	-176	-135.7	13.8	0	0	0	114
625	N	37.7	Very low	43.2	Very low	142 Å²	142	121.8 Å²	121.8	76%	0.759	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.9	9.8	175.9	-80.9	-54.4	0	0	0	113.9	A621 I623	A621-N625 PolarHBondContact O-ND2 3.45Å; I623-N625 VanDerWaalsContact C-N 3.29Å; I623-N625 PolarHBondContact O-N 3.36Å
626	S	37.3	Very low	42.2	Very low	88 Å²	88	120.8 Å²	120.8	62%	0.615	68%	0.677	S	S	*	*	S	Bend	trans	-108.9	-1	-175.2	67.3	0	0	0	0	116.2	I623	I623-S626 PolarHBondContact O-N 3.31Å; I623-S626 PolarHBondContact O-OG 3.04Å
627	E	35.9	Very low	41.3	Very low	184 Å²	184	125.3 Å²	125.3	86%	0.86	69%	0.694	S	S	*	*	S	Bend	trans	-117.3	10.1	-178	-75.9	-163	163.9	0	0	117.2
628	E	38.8	Very low	40.3	Very low	199 Å²	199	130.7 Å²	130.7	93%	0.93	72%	0.72	S	S	*	*	S	Bend	trans	-121	63.7	169.6	-77.9	-167.3	168.3	0	0	112.7
629	S	41.2	Very low	39.6	Very low	114 Å²	114	136 Å²	136	80%	0.797	74%	0.744	S	S	*	*	S	Bend	trans	-157.2	66.3	154.8	79.2	0	0	0	0	113.6
630	S	38.5	Very low	39.4	Very low	107 Å²	107	138.6 Å²	138.6	75%	0.748	76%	0.759	S	S	*	*			trans	-172.8	104.2	149.4	53.1	0	0	0	0	110.3
631	E	38.8	Very low	39	Very low	184 Å²	184	140.7 Å²	140.7	86%	0.86	77%	0.771	S	S	*	*				167.4	125.8	121.3	-87.9	178.1	179.9	0	0	110.2
632	D	36.8	Very low	38.7	Very low	238 Å²	238	149.5 Å²	149.5	100%	1.273	81%	0.808	S	S	*	*			trans	61.9	0	166.1	-62.3	-16.2	0	0	0	122.6

Retrieved 632 of 632 residues in 504 ms (Link to these results)

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