A0A087Y0S3_POEFO Loading...

glutathione transferase

AlphaFold DB , UniProt , Accession A0A087Y0S3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 269 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	38.4	Very low	34.2	Very low	218 Å²	218	159.3 Å²	159.3	100%	1.074	82%	0.819	S	S	*	*				0	130.9	0	-67.4	-77.7	-159.5	0	0	106.8
2	P	38.8	Very low	34.8	Very low	123 Å²	123	149.9 Å²	149.9	80%	0.799	79%	0.791	S	S	*	*			cis	-117.6	131.3	31.1	30.5	-14	0	0	0	115
3	E	33.5	Very low	35.5	Very low	155 Å²	155	140.8 Å²	140.8	72%	0.724	76%	0.755	S	S	*	*				22.1	106.9	125.4	-124.2	160.3	-170.9	0	0	118.9
4	C	28	Very low	35.7	Very low	122 Å²	122	144.3 Å²	144.3	82%	0.824	75%	0.752	S	S	*	*			trans	-122.4	89.6	157.6	-147.3	0	0	0	0	108.2	R6	C4-R6 PolarHBondContact O-N 2.96Å
5	L	32.8	Very low	36	Very low	148 Å²	148	147.5 Å²	147.5	78%	0.775	75%	0.751	S	S	*	*			trans	-52.1	97.3	169.4	-79.1	150.4	0	0	0	110.2	R7	L5-R7 PolarHBondContact O-N 3.18Å
6	R	31.3	Very low	35.7	Very low	235 Å²	235	153 Å²	153	89%	0.887	76%	0.759	S	S	*	*			trans	-80.3	103.3	160.6	-76.1	-168.9	-156.8	-152.2	4.9	108.1	C4 E8	C4-R6 PolarHBondContact O-N 2.96Å; R6-E8 PolarHBondContact O-N 3.39Å; R6-E8 VanDerWaalsContact O-N 3.11Å
7	R	28.7	Very low	36.2	Very low	231 Å²	231	146.4 Å²	146.4	87%	0.872	74%	0.739	S	S	*	*			trans	-48.7	110.9	163	-68.1	177	174.9	-167.4	-2.4	109.5	L5 S9	L5-R7 PolarHBondContact O-N 3.18Å; R7-S9 PolarHBondContact O-N 2.96Å
8	E	31.7	Very low	35.9	Very low	172 Å²	172	145.4 Å²	145.4	80%	0.804	75%	0.745	S	S	*	*			trans	-71.9	117.6	159.1	-67.2	-165.1	144.6	0	0	107.8	R6	R6-E8 PolarHBondContact O-N 3.39Å; R6-E8 VanDerWaalsContact O-N 3.11Å
9	S	34.2	Very low	35.9	Very low	95 Å²	95	148.7 Å²	148.7	66%	0.664	75%	0.753	S	S	*	*			trans	-101	116.7	165.8	-63.7	0	0	0	0	107.9	R7 V11	R7-S9 PolarHBondContact O-N 2.96Å; S9-V11 PolarHBondContact O-N 2.98Å; S9-V11 VanDerWaalsContact O-N 3.1Å
10	P	39	Very low	35.9	Very low	131 Å²	131	143.5 Å²	143.5	85%	0.851	74%	0.738	S	S	*	*			trans	-86.3	80.1	178.6	34	-30	0	0	0	108.4	G12	P10-G12 PolarHBondContact O-N 2.8Å
11	V	39.8	Very low	35.8	Very low	122 Å²	122	139.9 Å²	139.9	74%	0.739	72%	0.723	S	S	*	*			trans	-100.4	74.1	167.6	-166.3	0	0	0	0	108.4	S9	S9-V11 PolarHBondContact O-N 2.98Å; S9-V11 VanDerWaalsContact O-N 3.1Å
12	G	41.4	Very low	35.5	Very low	47 Å²	47	135.5 Å²	135.5	49%	0.485	70%	0.703	S	S	.	*	P	Polyproline II helix	trans	-75.5	118.1	158.2	0	0	0	0	0	108.3	P10	P10-G12 PolarHBondContact O-N 2.8Å
13	G	44.3	Very low	35.4	Very low	31 Å²	31	138.8 Å²	138.8	32%	0.32	70%	0.7	S	S	.	*	P	Polyproline II helix	trans	-86.6	147.4	174.8	0	0	0	0	0	111.4	Y24	G13-Y24 WeakPolarHBondContact O-CE2 3.22Å; G13-Y24 PolarHBondContact O-OH 3.46Å
14	R	37.8	Very low	35.8	Very low	190 Å²	190	135.1 Å²	135.1	72%	0.717	68%	0.68	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-92.1	132.1	168	-69.1	-177.2	-165	-164.7	4.2	109.7	T21	R14-T21 HydrophobicContact CB-CG2 4.31Å; R14-T21 HydrophobicContact CG-CG2 4.14Å
15	R	40.9	Very low	36.2	Very low	193 Å²	193	139.4 Å²	139.4	73%	0.728	68%	0.679	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-120.1	130.6	158.6	-94.7	176.4	175	-153.2	-0.5	108.4	Y24	R15-Y24 HydrophobicContact CB-CE1 3.98Å; R15-Y24 WeakPolarHBondContact CB-OH 3.15Å; R15-Y24 WeakPolarHBondContact CG-OH 3.14Å; R15-Y24 PolarHBondContact N-OH 3.46Å
16	R	31.4	Very low	36.2	Very low	235 Å²	235	137.6 Å²	137.6	89%	0.887	67%	0.67	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-85	119	168.6	-78.4	-175.2	175.4	-174.6	-1	108.2
17	G	44	Very low	36.6	Very low	40 Å²	40	132.3 Å²	132.3	41%	0.412	66%	0.663	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-112.1	174.7	166.6	0	0	0	0	0	110.9	F19 G20	G17-F19 PolarHBondContact O-N 3.22Å; G17-G20 PolarHBondContact N-O 3.37Å; G17-G20 PolarHBondContact O-N 3.02Å
18	P	31.1	Very low	36.7	Very low	130 Å²	130	132.5 Å²	132.5	84%	0.844	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.4	-7	-175.5	23.6	-31	0	0	0	114.8
19	F	35.2	Very low	36.7	Very low	207 Å²	207	129.9 Å²	129.9	91%	0.908	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-119.8	20.6	179.6	-64.2	-78.9	0	0	0	113.9	G17	G17-F19 PolarHBondContact O-N 3.22Å
20	G	36.2	Very low	37.6	Very low	44 Å²	44	128.3 Å²	128.3	45%	0.454	66%	0.662	S	S	.	*	E	Extended strand (participates in β ladder)	trans	106.8	-174.5	176.7	0	0	0	0	0	114.7	G17	G17-G20 PolarHBondContact N-O 3.37Å; G17-G20 PolarHBondContact O-N 3.02Å
21	T	34.3	Very low	37.4	Very low	68 Å²	68	128.9 Å²	128.9	42%	0.417	66%	0.663	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-87.4	115.4	-173.7	-53.2	0	0	0	0	110.2	R14	R14-T21 HydrophobicContact CB-CG2 4.31Å; R14-T21 HydrophobicContact CG-CG2 4.14Å
22	L	31.9	Very low	37.1	Very low	126 Å²	126	128.7 Å²	128.7	66%	0.66	66%	0.662	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-91	132.6	177	-137.7	83.7	0	0	0	110.4	Y24	L22-Y24 HydrophobicContact CB-CD1 4.4Å; L22-Y24 WeakPolarHBondContact O-CE1 3.49Å
23	W	37	Very low	36.8	Very low	192 Å²	192	136.3 Å²	136.3	73%	0.727	68%	0.676	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-92.1	126.1	170.2	-66.6	90.7	0	0	0	109.4
24	Y	40.6	Very low	36.6	Very low	79 Å²	79	139 Å²	139	31%	0.31	69%	0.69	S	S	.	*			trans	-129.2	140.8	175.2	36.5	-94.2	0	0	0	111.2	G13 R15 L22	G13-Y24 WeakPolarHBondContact O-CE2 3.22Å; G13-Y24 PolarHBondContact O-OH 3.46Å; R15-Y24 HydrophobicContact CB-CE1 3.98Å; R15-Y24 WeakPolarHBondContact CB-OH 3.15Å; R15-Y24 WeakPolarHBondContact CG-OH 3.14Å; R15-Y24 PolarHBondContact N-OH 3.46Å; L22-Y24 HydrophobicContact CB-CD1 4.4Å; L22-Y24 WeakPolarHBondContact O-CE1 3.49Å
25	R	37.3	Very low	36.6	Very low	212 Å²	212	135.9 Å²	135.9	80%	0.8	70%	0.697	S	S	*	*			trans	-106	117.4	173.6	-167.7	176.5	-173.6	-177.9	3.2	108	V27	R25-V27 PolarHBondContact O-N 2.96Å
26	L	32.3	Very low	36.6	Very low	110 Å²	110	132 Å²	132	58%	0.576	70%	0.696	S	S	*	*			trans	-77.6	114.4	175.1	-68	170.1	0	0	0	108.9	W33	L26-W33 HydrophobicContact CD1-CH2 3.75Å; L26-W33 HydrophobicContact CD1-CZ3 3.52Å; L26-W33 HydrophobicContact CD2-CE3 3.96Å; L26-W33 HydrophobicContact CD2-CH2 4.32Å; L26-W33 HydrophobicContact CD2-CZ3 3.35Å; L26-W33 HydrophobicContact CG-CZ3 3.96Å
27	V	40.6	Very low	36.8	Very low	124 Å²	124	126.2 Å²	126.2	75%	0.752	69%	0.69	S	S	*	*			trans	-103	121.5	168.8	-177.6	0	0	0	0	107.1	R25 C29	R25-V27 PolarHBondContact O-N 2.96Å; V27-C29 PolarHBondContact O-N 3.36Å
28	R	29.7	Very low	36.5	Very low	235 Å²	235	129.7 Å²	129.7	89%	0.887	71%	0.706	S	S	*	*			trans	-84.1	112.8	-177.2	-154.5	178	179.8	-179.1	-0.3	109.1
29	C	31.6	Very low	37	Very low	117 Å²	117	128 Å²	128	79%	0.791	70%	0.697	S	S	*	*			trans	-123.6	100.6	167.3	-158.8	0	0	0	0	107.7	V27	V27-C29 PolarHBondContact O-N 3.36Å
30	G	53.2	Low	37.6	Very low	62 Å²	62	129.3 Å²	129.3	64%	0.639	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	66.8	-154.9	-179.7	0	0	0	0	0	115.9
31	T	35	Very low	37.9	Very low	143 Å²	143	131.1 Å²	131.1	88%	0.877	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.3	3.4	-171.5	27.4	0	0	0	0	115.2
32	V	32.8	Very low	38.6	Very low	118 Å²	118	131.2 Å²	131.2	72%	0.715	71%	0.706	S	S	*	*			trans	-114.3	124.4	-175.7	-174.8	0	0	0	0	110.9	S34	V32-S34 PolarHBondContact O-N 3.47Å
33	W	36.2	Very low	39.5	Very low	207 Å²	207	129.2 Å²	129.2	78%	0.784	70%	0.699	S	S	*	*			trans	-85.2	98.3	169.7	-65.6	77.3	0	0	0	108.5	L26	L26-W33 HydrophobicContact CD1-CH2 3.75Å; L26-W33 HydrophobicContact CD1-CZ3 3.52Å; L26-W33 HydrophobicContact CD2-CE3 3.96Å; L26-W33 HydrophobicContact CD2-CH2 4.32Å; L26-W33 HydrophobicContact CD2-CZ3 3.35Å; L26-W33 HydrophobicContact CG-CZ3 3.96Å
34	S	39.2	Very low	40.5	Very low	87 Å²	87	125.4 Å²	125.4	61%	0.608	69%	0.685	S	S	*	*			trans	-96.2	127.9	172.1	172	0	0	0	0	109.9	V32 T36	V32-S34 PolarHBondContact O-N 3.47Å; S34-T36 PolarHBondContact O-N 2.92Å; S34-T36 PolarHBondContact OG-OG1 3.42Å
35	S	39.1	Very low	41.4	Very low	124 Å²	124	132 Å²	132	87%	0.867	71%	0.71	S	S	*	*			trans	-77	68.2	167.1	59.4	0	0	0	0	109.7	C37	S35-C37 PolarHBondContact O-N 3.1Å
36	T	39.3	Very low	43.6	Very low	113 Å²	113	130.3 Å²	130.3	69%	0.693	70%	0.703	S	S	*	*			trans	-75.7	109	171.9	-35.4	0	0	0	0	106.9	S34 C38	S34-T36 PolarHBondContact O-N 2.92Å; S34-T36 PolarHBondContact OG-OG1 3.42Å; T36-C38 PolarHBondContact O-N 2.87Å
37	C	37.2	Very low	46.5	Very low	113 Å²	113	130.6 Å²	130.6	76%	0.764	70%	0.702	S	S	*	*			trans	-49.1	113.2	163.4	-174.6	0	0	0	0	106.5	S35 S39	S35-C37 PolarHBondContact O-N 3.1Å; C37-S39 PolarHBondContact O-N 3.16Å
38	C	36.7	Very low	49.3	Very low	113 Å²	113	124.7 Å²	124.7	76%	0.764	67%	0.666	S	S	*	*			trans	-74.1	80.6	178.5	-162.2	0	0	0	0	106.7	T36 R40	T36-C38 PolarHBondContact O-N 2.87Å; C38-R40 VanDerWaalsContact C-N 3.29Å; C38-R40 PolarHBondContact O-N 2.95Å
39	S	40.8	Very low	52.5	Low	93 Å²	93	116.8 Å²	116.8	65%	0.65	64%	0.639	S	S	*	*			trans	-61.3	98.9	165.6	52.8	0	0	0	0	106.2	C37 V41	C37-S39 PolarHBondContact O-N 3.16Å; S39-V41 PolarHBondContact O-N 3.28Å
40	R	47.9	Very low	55.7	Low	235 Å²	235	111.2 Å²	111.2	89%	0.887	60%	0.601	S	S	*	*			trans	-78.5	69.1	-177.1	-156.9	-171.6	-68.5	-173.6	0.2	108.3	C38	C38-R40 VanDerWaalsContact C-N 3.29Å; C38-R40 PolarHBondContact O-N 2.95Å
41	V	43.2	Very low	57.9	Low	82 Å²	82	110.6 Å²	110.6	50%	0.497	58%	0.58	S	S	.	*			trans	-103.5	81.2	172.6	-168.6	0	0	0	0	107.4	S39 V43	S39-V41 PolarHBondContact O-N 3.28Å; V41-V43 VanDerWaalsContact C-N 3.32Å; V41-V43 HydrophobicContact CG1-CG2 3.78Å; V41-V43 PolarHBondContact O-N 2.85Å; V41-V43 VanDerWaalsContact O-N 3.16Å
42	A	48.8	Very low	60.9	Low	71 Å²	71	104 Å²	104	59%	0.587	54%	0.54	S	S	*	.			trans	-72.5	98.8	157.1	0	0	0	0	0	105.7	Y44	A42-Y44 HydrophobicContact CB-CE2 4.5Å; A42-Y44 PolarHBondContact O-N 3.06Å
43	V	51.9	Low	64	Low	83 Å²	83	99.4 Å²	99.4	50%	0.503	51%	0.511	S	S	.	.			trans	-65.2	100.1	173.1	-175.4	0	0	0	0	106.9	V41 R45	V41-V43 VanDerWaalsContact C-N 3.32Å; V41-V43 HydrophobicContact CG1-CG2 3.78Å; V41-V43 PolarHBondContact O-N 2.85Å; V41-V43 VanDerWaalsContact O-N 3.16Å; V43-R45 VanDerWaalsContact C-N 3.33Å; V43-R45 HydrophobicContact CB-CG 4.4Å; V43-R45 HydrophobicContact CG1-CG 3.68Å; V43-R45 PolarHBondContact O-N 3.07Å
44	Y	57	Low	67	Low	112 Å²	112	91.2 Å²	91.2	44%	0.439	48%	0.482	S	S	.	.			trans	-66.3	94.5	170.9	-93.5	-99.5	0	0	0	108.2	A42 R46 T122 F123	A42-Y44 HydrophobicContact CB-CE2 4.5Å; A42-Y44 PolarHBondContact O-N 3.06Å; Y44-R46 VanDerWaalsContact C-N 3.28Å; Y44-R46 PolarHBondContact O-N 3.48Å; Y44-T122 HydrophobicContact CD1-CG2 3.73Å; Y44-T122 HydrophobicContact CD2-CG2 3.73Å; Y44-T122 WeakPolarHBondContact CD2-O 3.4Å; Y44-T122 HydrophobicContact CE1-CG2 3.86Å; Y44-T122 HydrophobicContact CE2-CG2 3.87Å; Y44-T122 HydrophobicContact CG-CG2 3.67Å; Y44-F123 WeakPolarHBondContact O-CE1 3.28Å
45	R	60.1	Low	69.7	Low	218 Å²	218	87.9 Å²	87.9	82%	0.823	46%	0.458	S	S	*	.			trans	-89.5	19.5	178.3	-71.8	-169.3	175.9	165.8	-1.1	113.4	V43	V43-R45 VanDerWaalsContact C-N 3.33Å; V43-R45 HydrophobicContact CB-CG 4.4Å; V43-R45 HydrophobicContact CG1-CG 3.68Å; V43-R45 PolarHBondContact O-N 3.07Å
46	R	82.9	Confident	72.5	Confident	176 Å²	176	83 Å²	83	66%	0.664	42%	0.424	S	S	*	.	P	Polyproline II helix	trans	-94.9	138.7	-178.3	-70	-172.5	169.8	-179.7	-3.2	110.2	Y44	Y44-R46 VanDerWaalsContact C-N 3.28Å; Y44-R46 PolarHBondContact O-N 3.48Å
47	E	94.4	Very high	75.3	Confident	117 Å²	117	78.3 Å²	78.3	55%	0.547	39%	0.394	S	S	.	.	P	Polyproline II helix	trans	-73.1	130.5	172.3	-176.1	176.4	83.8	0	0	109.1	P72 R74	E47-P72 WeakPolarHBondContact CA-O 3.41Å; E47-P72 HydrophobicContact CB-CB 4.41Å; E47-R74 HydrophobicContact CG-CB 4.43Å
48	V	97.4	Very high	78.2	Confident	0 Å²	0	74.1 Å²	74.1	0%	0	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	140.5	173	-61.6	0	0	0	0	110.4	V50 L66 I71 P72 H73 R74 L102 D104 L119 F123	V48-V50 HydrophobicContact CG2-CG2 4.16Å; V48-L66 HydrophobicContact CG2-CD2 4.23Å; V48-I71 HydrophobicContact CG2-CG2 4.3Å; V48-P72 PolarHBondContact N-O 3.42Å; V48-P72 VanDerWaalsContact N-O 3.09Å; V48-H73 HydrophobicContact CG2-CB 3.68Å; V48-H73 CarbonylContact O-C 3.59Å; V48-H73 WeakPolarHBondContact O-CA 3.13Å; V48-H73 WeakPolarHBondContact O-CB 3.37Å; V48-R74 PolarHBondContact O-N 3.35Å; V48-L102 HydrophobicContact CB-CD1 4.4Å; V48-L102 HydrophobicContact CB-CG 4.5Å; V48-L102 HydrophobicContact CG2-CD1 4.42Å; V48-D104 HydrophobicContact CG1-CB 3.98Å; V48-L119 HydrophobicContact CG2-CD2 4.4Å; V48-F123 HydrophobicContact CG1-CE2 4.06Å; V48-F123 HydrophobicContact CG1-CZ 3.62Å
49	E	98.3	Very high	81.2	Confident	69 Å²	69	68.8 Å²	68.8	32%	0.322	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	137.4	169.8	-62.3	175.1	-142.9	0	0	109.6	Y51 R74 H76 L102 V103	E49-Y51 HydrophobicContact CB-CE2 4.18Å; E49-Y51 PolarHBondContact OE2-OH 2.98Å; E49-Y51 VanDerWaalsContact OE2-OH 3.08Å; E49-R74 CarbonylContact C-O 3.59Å; E49-R74 WeakPolarHBondContact CA-O 3.48Å; E49-R74 HydrophobicContact CG-CB 4.5Å; E49-H76 IonicContact OE2-CE1 3.77Å; E49-H76 IonicContact OE2-NE2 2.85Å; E49-H76 PolarHBondContact OE2-NE2 2.9Å; E49-L102 CarbonylContact O-C 3.48Å; E49-L102 WeakPolarHBondContact O-CA 3.44Å; E49-V103 HydrophobicContact CB-CB 4.19Å; E49-V103 PolarHBondContact N-O 3.23Å; E49-V103 PolarHBondContact O-N 2.92Å
50	V	98.5	Very high	84	Confident	0 Å²	0	64.3 Å²	64.3	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	121.3	-180	-172.2	0	0	0	0	110.5	V48 L52 V62 L66 R74 I75 H76 V101 L102	V48-V50 HydrophobicContact CG2-CG2 4.16Å; V50-L52 HydrophobicContact CG1-CD2 4.01Å; V50-V62 HydrophobicContact CG1-CG1 3.98Å; V50-L66 HydrophobicContact CB-CD1 4.38Å; V50-L66 HydrophobicContact CG1-CD1 4.49Å; V50-L66 HydrophobicContact CG2-CD1 3.76Å; V50-R74 PolarHBondContact N-O 2.91Å; V50-I75 WeakPolarHBondContact O-CA 3.43Å; V50-H76 PolarHBondContact O-N 3.11Å; V50-V101 CarbonylContact C-O 3.41Å; V50-V101 WeakPolarHBondContact CA-O 3.48Å; V50-L102 HydrophobicContact CG2-CD1 4.49Å
51	Y	98.7	Very high	86.4	Confident	49 Å²	49	53.1 Å²	53.1	19%	0.192	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	114.5	179.2	-64	-105.5	0	0	0	108.9	E49 H76 V78 F90 L93 P100 V101 V103	E49-Y51 HydrophobicContact CB-CE2 4.18Å; E49-Y51 PolarHBondContact OE2-OH 2.98Å; E49-Y51 VanDerWaalsContact OE2-OH 3.08Å; Y51-H76 CarbonylContact C-O 3.6Å; Y51-H76 VanDerWaalsContact CA-O 3.3Å; Y51-H76 WeakPolarHBondContact CA-O 3.41Å; Y51-H76 HydrophobicContact CD1-CB 3.49Å; Y51-H76 VanDerWaalsContact CD1-CB 3.49Å; Y51-H76 HydrophobicContact CD2-CB 4.39Å; Y51-H76 HydrophobicContact CE1-CB 3.64Å; Y51-H76 AromaticContact CE1-CG 3.77Å; Y51-H76 AromaticContact CE1-ND1 3.96Å; Y51-H76 HydrophobicContact CE2-CB 4.48Å; Y51-H76 HydrophobicContact CG-CB 3.88Å; Y51-H76 AromaticContact CZ-CG 3.81Å; Y51-H76 AromaticContact CZ-ND1 3.97Å; Y51-V78 HydrophobicContact CD1-CG2 4.2Å; Y51-F90 HydrophobicContact CD1-CE2 4.37Å; Y51-L93 HydrophobicContact CD1-CD2 3.75Å; Y51-L93 HydrophobicContact CD2-CD2 3.62Å; Y51-L93 HydrophobicContact CE1-CD2 3.89Å; Y51-L93 HydrophobicContact CE2-CD2 3.81Å; Y51-L93 HydrophobicContact CG-CD2 3.63Å; Y51-P100 VanDerWaalsContact O-CA 3.27Å; Y51-P100 WeakPolarHBondContact O-CA 3.29Å; Y51-V101 PolarHBondContact N-O 3.27Å; Y51-V101 PolarHBondContact O-N 3.34Å; Y51-V101 VanDerWaalsContact O-N 3.08Å; Y51-V103 HydrophobicContact CD2-CG2 4.3Å; Y51-V103 HydrophobicContact CE2-CG2 3.85Å
52	L	98.4	Very high	89	Confident	5 Å²	5	49.2 Å²	49.2	3%	0.026	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	162.7	-170.9	64.3	74.5	0	0	0	114.2	V50 L54 C59 H63 I75 H76 S77 V78	V50-L52 HydrophobicContact CG1-CD2 4.01Å; L52-L54 HydrophobicContact CD1-CD2 3.96Å; L52-L54 HydrophobicContact CD1-CG 4.15Å; L52-C59 HydrophobicContact CB-CB 3.83Å; L52-H63 HydrophobicContact CD2-CB 4.22Å; L52-I75 HydrophobicContact CD1-CG2 3.76Å; L52-I75 HydrophobicContact CD2-CG1 4.35Å; L52-I75 HydrophobicContact CD2-CG2 4.22Å; L52-I75 HydrophobicContact CG-CG2 3.85Å; L52-H76 PolarHBondContact N-O 3.38Å; L52-S77 WeakPolarHBondContact O-CA 3.24Å; L52-V78 PolarHBondContact O-N 3.49Å
53	D	98.4	Very high	91.4	Very high	21 Å²	21	46.9 Å²	46.9	11%	0.112	21%	0.209	C	C	.	.			trans	-133.1	121.6	167	-170.6	-35.1	0	0	0	108.1	L55 S56 C59 V78 L80	D53-L55 PolarHBondContact O-N 2.92Å; D53-L55 VanDerWaalsContact O-N 3.1Å; D53-L55 WeakPolarHBondContact OD1-CB 3.47Å; D53-L55 PolarHBondContact OD1-N 2.94Å; D53-S56 VanDerWaalsContact O-CB 3.25Å; D53-S56 WeakPolarHBondContact O-CB 3.48Å; D53-S56 PolarHBondContact O-N 3.09Å; D53-C59 WeakPolarHBondContact O-CB 3.36Å; D53-V78 VanDerWaalsContact CB-O 3.29Å; D53-V78 WeakPolarHBondContact CB-O 3.44Å; D53-L80 HydrophobicContact CB-CD1 3.82Å; D53-L80 HydrophobicContact CB-CG 3.72Å; D53-L80 WeakPolarHBondContact OD2-CB 3.39Å; D53-L80 WeakPolarHBondContact OD2-CG 3.37Å; D53-L80 PolarHBondContact OD2-N 2.92Å
54	L	98	Very high	93.7	Very high	35 Å²	35	42.9 Å²	42.9	18%	0.183	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-8.1	-178.7	-63.4	-179.2	0	0	0	113.6	L52 S56 R60 H63 V257	L52-L54 HydrophobicContact CD1-CD2 3.96Å; L52-L54 HydrophobicContact CD1-CG 4.15Å; L54-S56 PolarHBondContact O-N 2.79Å; L54-R60 HydrophobicContact CB-CG 4.45Å; L54-R60 HydrophobicContact CD2-CG 4.19Å; L54-R60 WeakPolarHBondContact O-CD 3.37Å; L54-R60 WeakPolarHBondContact O-CG 3.35Å; L54-R60 PolarHBondContact O-NH1 2.73Å; L54-H63 HydrophobicContact CD2-CB 3.9Å; L54-V257 HydrophobicContact CB-CG2 3.95Å
55	L	96.4	Very high	95.6	Very high	17 Å²	17	37.6 Å²	37.6	9%	0.089	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-28.1	165	-172.4	63.4	0	0	0	112.3	D53 R60 R81 F159 Q221 V257 L258	D53-L55 PolarHBondContact O-N 2.92Å; D53-L55 VanDerWaalsContact O-N 3.1Å; D53-L55 WeakPolarHBondContact OD1-CB 3.47Å; D53-L55 PolarHBondContact OD1-N 2.94Å; L55-R60 PolarHBondContact O-NH1 3Å; L55-R81 HydrophobicContact CD2-CG 4.03Å; L55-F159 HydrophobicContact CD1-CE1 4.31Å; L55-F159 HydrophobicContact CD1-CZ 3.84Å; L55-Q221 PolarHBondContact O-NE2 3.33Å; L55-Q221 PolarHBondContact O-OE1 3Å; L55-V257 HydrophobicContact CB-CG1 4.34Å; L55-V257 HydrophobicContact CD1-CG1 4.21Å; L55-L258 HydrophobicContact CD1-CD2 4.07Å
56	S	98.3	Very high	97.5	Very high	22 Å²	22	27.2 Å²	27.2	15%	0.154	13%	0.125	C	C	.	.	S	Bend	trans	-85.6	130.6	-177	-177.4	0	0	0	0	112.3	D53 L54 P58 C59 R60	D53-S56 VanDerWaalsContact O-CB 3.25Å; D53-S56 WeakPolarHBondContact O-CB 3.48Å; D53-S56 PolarHBondContact O-N 3.09Å; L54-S56 PolarHBondContact O-N 2.79Å; S56-P58 WeakPolarHBondContact OG-CD 3.41Å; S56-P58 WeakPolarHBondContact OG-CG 3.42Å; S56-C59 WeakPolarHBondContact O-CB 3.27Å; S56-C59 PolarHBondContact O-N 3.21Å; S56-R60 PolarHBondContact O-N 3.26Å; S56-R60 PolarHBondContact O-NH1 3.26Å
57	Q	98.6	Very high	98.2	Very high	14 Å²	14	21.1 Å²	21.1	7%	0.065	11%	0.107	C	C	.	.	H	α-helix	trans	-54.2	-55.7	177.9	-55.1	163.5	2.8	0	0	113.2	C59 R60 A61 R152 A156 C217 E218 Q221	Q57-C59 PolarHBondContact O-N 2.98Å; Q57-R60 PolarHBondContact O-N 3.49Å; Q57-A61 PolarHBondContact O-N 3.12Å; Q57-R152 PolarHBondContact OE1-O 2.96Å; Q57-A156 VanDerWaalsContact NE2-CA 3.33Å; Q57-C217 WeakPolarHBondContact O-CB 3.42Å; Q57-E218 HydrophobicContact CB-CG 4.3Å; Q57-Q221 HydrophobicContact CG-CB 4.04Å; Q57-Q221 HydrophobicContact CG-CG 4.26Å
58	P	98.6	Very high	98.3	Very high	25 Å²	25	21.4 Å²	21.4	16%	0.162	10%	0.103	C	C	.	.	H	α-helix	trans	-63	-30.2	-178.9	23.7	-36.4	0	0	0	113.4	S56 A61 V62 P100 S112	S56-P58 WeakPolarHBondContact OG-CD 3.41Å; S56-P58 WeakPolarHBondContact OG-CG 3.42Å; P58-A61 PolarHBondContact O-N 3.09Å; P58-V62 WeakPolarHBondContact O-CG2 3.39Å; P58-V62 PolarHBondContact O-N 3.36Å; P58-P100 HydrophobicContact CB-CG 4.37Å; P58-S112 VanDerWaalsContact CB-CB 3.48Å; P58-S112 WeakPolarHBondContact CB-OG 3.4Å
59	C	98.8	Very high	98.3	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-66.1	-42	176.4	-73.6	0	0	0	0	112.2	L52 D53 S56 Q57 A61 V62 H63 V99	L52-C59 HydrophobicContact CB-CB 3.83Å; D53-C59 WeakPolarHBondContact O-CB 3.36Å; S56-C59 WeakPolarHBondContact O-CB 3.27Å; S56-C59 PolarHBondContact O-N 3.21Å; Q57-C59 PolarHBondContact O-N 2.98Å; C59-A61 VanDerWaalsContact C-N 3.34Å; C59-V62 PolarHBondContact O-N 2.94Å; C59-H63 WeakPolarHBondContact O-CB 3.27Å; C59-H63 PolarHBondContact O-N 2.91Å; C59-V99 VanDerWaalsContact SG-CG2 3.5Å
60	R	98.8	Very high	98.2	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-63.4	-40.1	176.9	-69.6	-168.6	-62.3	-82.5	0.5	112	L54 L55 S56 Q57 V62 H63 I64 C217 A254 H255	L54-R60 HydrophobicContact CB-CG 4.45Å; L54-R60 HydrophobicContact CD2-CG 4.19Å; L54-R60 WeakPolarHBondContact O-CD 3.37Å; L54-R60 WeakPolarHBondContact O-CG 3.35Å; L54-R60 PolarHBondContact O-NH1 2.73Å; L55-R60 PolarHBondContact O-NH1 3Å; S56-R60 PolarHBondContact O-N 3.26Å; S56-R60 PolarHBondContact O-NH1 3.26Å; Q57-R60 PolarHBondContact O-N 3.49Å; R60-V62 PolarHBondContact O-N 3.41Å; R60-H63 PolarHBondContact O-N 3.39Å; R60-I64 WeakPolarHBondContact O-CB 3.07Å; R60-I64 VanDerWaalsContact O-CG1 3.24Å; R60-I64 WeakPolarHBondContact O-CG1 3.47Å; R60-I64 PolarHBondContact O-N 3.41Å; R60-C217 HydrophobicContact CB-CB 4.16Å; R60-C217 PolarHBondContact NH2-O 3.24Å; R60-A254 HydrophobicContact CB-CB 4.2Å; R60-A254 WeakPolarHBondContact CD-O 3.39Å; R60-A254 HydrophobicContact CG-CB 4.28Å; R60-A254 VanDerWaalsContact CG-O 3.3Å; R60-A254 WeakPolarHBondContact CG-O 3.37Å; R60-H255 VanDerWaalsContact CD-CD2 3.47Å; R60-H255 WeakPolarHBondContact CD-CD2 3.5Å; R60-H255 PolarHBondContact NE-CD2 3.05Å; R60-H255 VanDerWaalsContact NE-CD2 3.33Å; R60-H255 PolarHBondContact NE-NE2 2.88Å
61	A	98.9	Very high	98.1	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-61.3	-45.9	177.8	0	0	0	0	0	111.7	Q57 P58 C59 I64 L65 L116 L213 L214 C217	Q57-A61 PolarHBondContact O-N 3.12Å; P58-A61 PolarHBondContact O-N 3.09Å; C59-A61 VanDerWaalsContact C-N 3.34Å; A61-I64 PolarHBondContact O-N 3.12Å; A61-L65 PolarHBondContact O-N 3.25Å; A61-L65 VanDerWaalsContact O-N 3.11Å; A61-L116 HydrophobicContact CB-CD1 4.29Å; A61-L213 HydrophobicContact CB-CB 4.23Å; A61-L214 HydrophobicContact CB-CD2 3.95Å; A61-L214 HydrophobicContact CB-CG 4.4Å; A61-C217 HydrophobicContact CB-CB 4.44Å; A61-C217 PolarHBondContact N-SG 3.11Å; A61-C217 VanDerWaalsContact N-SG 3.43Å
62	V	98.8	Very high	98	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-63.2	-45.8	175.4	174.2	0	0	0	0	111.2	V50 P58 C59 R60 I64 L65 L66 P100 I115 L116 L119	V50-V62 HydrophobicContact CG1-CG1 3.98Å; P58-V62 WeakPolarHBondContact O-CG2 3.39Å; P58-V62 PolarHBondContact O-N 3.36Å; C59-V62 PolarHBondContact O-N 2.94Å; R60-V62 PolarHBondContact O-N 3.41Å; V62-I64 PolarHBondContact O-N 3.24Å; V62-L65 PolarHBondContact O-N 2.9Å; V62-L66 HydrophobicContact CG1-CD1 3.68Å; V62-L66 HydrophobicContact CG1-CG 4.34Å; V62-L66 VanDerWaalsContact O-CG 3.29Å; V62-L66 WeakPolarHBondContact O-CG 3.4Å; V62-L66 PolarHBondContact O-N 3.1Å; V62-P100 HydrophobicContact CG2-CG 4.04Å; V62-I115 HydrophobicContact CG1-CG2 3.94Å; V62-I115 HydrophobicContact CG2-CB 4.39Å; V62-I115 HydrophobicContact CG2-CG2 3.83Å; V62-L116 HydrophobicContact CG2-CD2 4.18Å; V62-L116 HydrophobicContact CG2-CG 4.17Å; V62-L119 HydrophobicContact CG1-CD1 4.38Å
63	H	98.8	Very high	98	Very high	21 Å²	21	30.9 Å²	30.9	10%	0.097	15%	0.154	C	C	.	.	H	α-helix	trans	-56.8	-50.1	176.8	-178.4	-86.9	0	0	0	111.8	L52 L54 C59 R60 L65 L66 T67 I75	L52-H63 HydrophobicContact CD2-CB 4.22Å; L54-H63 HydrophobicContact CD2-CB 3.9Å; C59-H63 WeakPolarHBondContact O-CB 3.27Å; C59-H63 PolarHBondContact O-N 2.91Å; R60-H63 PolarHBondContact O-N 3.39Å; H63-L65 PolarHBondContact O-N 3.38Å; H63-L66 PolarHBondContact O-N 3.11Å; H63-T67 PolarHBondContact CE1-OG1 3.44Å; H63-T67 WeakPolarHBondContact O-CB 3.37Å; H63-T67 PolarHBondContact O-N 2.91Å; H63-T67 PolarHBondContact O-OG1 2.69Å; H63-I75 VanDerWaalsContact CD2-CD1 3.44Å; H63-I75 WeakPolarHBondContact CD2-CD1 3.29Å
64	I	98.8	Very high	98	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-58.2	-47.8	179.2	-70.2	168.2	0	0	0	110.8	R60 A61 V62 L66 T67 R68 L213 V247 A254	R60-I64 WeakPolarHBondContact O-CB 3.07Å; R60-I64 VanDerWaalsContact O-CG1 3.24Å; R60-I64 WeakPolarHBondContact O-CG1 3.47Å; R60-I64 PolarHBondContact O-N 3.41Å; A61-I64 PolarHBondContact O-N 3.12Å; V62-I64 PolarHBondContact O-N 3.24Å; I64-L66 PolarHBondContact O-N 2.88Å; I64-T67 PolarHBondContact O-N 3.14Å; I64-R68 WeakPolarHBondContact O-CB 3.35Å; I64-R68 PolarHBondContact O-N 3.43Å; I64-L213 HydrophobicContact CG2-CD1 4.33Å; I64-L213 HydrophobicContact CG2-CD2 3.7Å; I64-V247 HydrophobicContact CG2-CB 3.8Å; I64-V247 HydrophobicContact CG2-CG1 3.65Å; I64-V247 HydrophobicContact CG2-CG2 4.21Å; I64-A254 HydrophobicContact CD1-CB 3.82Å; I64-A254 HydrophobicContact CG1-CB 3.51Å
65	L	98.8	Very high	98	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-59.2	-48.8	179.6	-173.6	67.9	0	0	0	111	A61 V62 H63 R68 T69 L116 L119 I125 W129 V210 L213	A61-L65 PolarHBondContact O-N 3.25Å; A61-L65 VanDerWaalsContact O-N 3.11Å; V62-L65 PolarHBondContact O-N 2.9Å; H63-L65 PolarHBondContact O-N 3.38Å; L65-R68 PolarHBondContact O-N 2.97Å; L65-T69 HydrophobicContact CD1-CG2 3.97Å; L65-T69 WeakPolarHBondContact O-CB 3.48Å; L65-T69 WeakPolarHBondContact O-CG2 3.36Å; L65-T69 PolarHBondContact O-N 2.99Å; L65-T69 PolarHBondContact O-OG1 3.49Å; L65-L116 HydrophobicContact CB-CD2 3.89Å; L65-L116 HydrophobicContact CD2-CD2 3.55Å; L65-L116 HydrophobicContact CG-CD2 4.31Å; L65-L119 HydrophobicContact CD2-CB 4.1Å; L65-L119 HydrophobicContact CD2-CD1 4.26Å; L65-I125 HydrophobicContact CD1-CD1 4.19Å; L65-W129 HydrophobicContact CD1-CB 4.41Å; L65-W129 HydrophobicContact CD1-CD2 3.52Å; L65-W129 HydrophobicContact CD1-CE3 3.68Å; L65-W129 HydrophobicContact CD1-CG 3.85Å; L65-W129 HydrophobicContact CD1-CZ2 4.42Å; L65-W129 HydrophobicContact CD1-CZ3 4.23Å; L65-V210 HydrophobicContact CD1-CG1 4.41Å; L65-V210 HydrophobicContact CD2-CG1 4.24Å; L65-L213 HydrophobicContact CB-CD1 3.83Å; L65-L213 HydrophobicContact CD1-CD1 4.03Å
66	L	98.4	Very high	98	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-61.1	-49.7	-179	-71.4	167.1	0	0	0	112	V48 V50 V62 H63 I64 K70 I71 H73 L119	V48-L66 HydrophobicContact CG2-CD2 4.23Å; V50-L66 HydrophobicContact CB-CD1 4.38Å; V50-L66 HydrophobicContact CG1-CD1 4.49Å; V50-L66 HydrophobicContact CG2-CD1 3.76Å; V62-L66 HydrophobicContact CG1-CD1 3.68Å; V62-L66 HydrophobicContact CG1-CG 4.34Å; V62-L66 VanDerWaalsContact O-CG 3.29Å; V62-L66 WeakPolarHBondContact O-CG 3.4Å; V62-L66 PolarHBondContact O-N 3.1Å; H63-L66 PolarHBondContact O-N 3.11Å; I64-L66 PolarHBondContact O-N 2.88Å; L66-K70 WeakPolarHBondContact O-CA 3.47Å; L66-K70 PolarHBondContact O-N 3.46Å; L66-I71 HydrophobicContact CD2-CB 3.88Å; L66-I71 HydrophobicContact CD2-CD1 4.25Å; L66-I71 HydrophobicContact CD2-CG2 3.78Å; L66-I71 PolarHBondContact O-N 3.47Å; L66-H73 HydrophobicContact CD1-CB 4.43Å; L66-H73 HydrophobicContact CD2-CB 4.21Å; L66-L119 HydrophobicContact CD2-CD1 3.73Å; L66-L119 HydrophobicContact CD2-CD2 3.88Å; L66-L119 HydrophobicContact CD2-CG 4.46Å; L66-L119 HydrophobicContact CG-CD1 4.08Å
67	T	97.9	Very high	98	Very high	49 Å²	49	43 Å²	43	30%	0.301	21%	0.212	S	C	.	.	H	α-helix	trans	-64	-46.1	179.3	-54.1	0	0	0	0	111.1	H63 I64 T69 K70	H63-T67 PolarHBondContact CE1-OG1 3.44Å; H63-T67 WeakPolarHBondContact O-CB 3.37Å; H63-T67 PolarHBondContact O-N 2.91Å; H63-T67 PolarHBondContact O-OG1 2.69Å; I64-T67 PolarHBondContact O-N 3.14Å; T67-T69 PolarHBondContact O-N 2.85Å; T67-K70 PolarHBondContact O-N 2.62Å
68	R	97.9	Very high	98	Very high	123 Å²	123	42.7 Å²	42.7	46%	0.464	21%	0.211	S	C	.	.	H	α-helix	trans	-66	-38.8	-175.7	179.7	56	178.7	126.3	-5.7	112.5	I64 L65 W129 A246	I64-R68 WeakPolarHBondContact O-CB 3.35Å; I64-R68 PolarHBondContact O-N 3.43Å; L65-R68 PolarHBondContact O-N 2.97Å; R68-W129 HydrophobicContact CG-CH2 4.38Å; R68-W129 HydrophobicContact CG-CZ2 3.86Å; R68-A246 PolarHBondContact NE-O 3.29Å; R68-A246 PolarHBondContact NH2-O 2.92Å
69	T	96.9	Very high	97.9	Very high	27 Å²	27	42.5 Å²	42.5	17%	0.166	21%	0.211	C	C	.	.	H	α-helix	trans	-92	-5.6	-177.6	61.6	0	0	0	0	113.6	L65 T67 I71 I125 W129	L65-T69 HydrophobicContact CD1-CG2 3.97Å; L65-T69 WeakPolarHBondContact O-CB 3.48Å; L65-T69 WeakPolarHBondContact O-CG2 3.36Å; L65-T69 PolarHBondContact O-N 2.99Å; L65-T69 PolarHBondContact O-OG1 3.49Å; T67-T69 PolarHBondContact O-N 2.85Å; T69-I71 PolarHBondContact O-N 2.99Å; T69-I71 WeakPolarHBondContact OG1-CD1 3.13Å; T69-I71 WeakPolarHBondContact OG1-CG1 3.35Å; T69-I125 HydrophobicContact CG2-CB 4Å; T69-I125 HydrophobicContact CG2-CD1 4.05Å; T69-I125 HydrophobicContact CG2-CG2 3.97Å; T69-W129 HydrophobicContact CG2-CZ2 4.47Å
70	K	96.4	Very high	97.7	Very high	178 Å²	178	44.6 Å²	44.6	77%	0.774	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.5	31.8	179.5	-52.2	-180	178.7	-177.9	0	112.9	L66 T67	L66-K70 WeakPolarHBondContact O-CA 3.47Å; L66-K70 PolarHBondContact O-N 3.46Å; T67-K70 PolarHBondContact O-N 2.62Å
71	I	96.5	Very high	97.4	Very high	6 Å²	6	50.9 Å²	50.9	3%	0.031	25%	0.245	C	C	.	.			trans	-59.2	129.5	168.2	-70.8	170.3	0	0	0	107.2	V48 L66 T69 H73 L119 F123 I125	V48-I71 HydrophobicContact CG2-CG2 4.3Å; L66-I71 HydrophobicContact CD2-CB 3.88Å; L66-I71 HydrophobicContact CD2-CD1 4.25Å; L66-I71 HydrophobicContact CD2-CG2 3.78Å; L66-I71 PolarHBondContact O-N 3.47Å; T69-I71 PolarHBondContact O-N 2.99Å; T69-I71 WeakPolarHBondContact OG1-CD1 3.13Å; T69-I71 WeakPolarHBondContact OG1-CG1 3.35Å; I71-H73 PolarHBondContact O-N 3.05Å; I71-H73 PolarHBondContact O-ND1 3.4Å; I71-L119 HydrophobicContact CD1-CB 4.14Å; I71-L119 HydrophobicContact CD1-CD2 4.14Å; I71-L119 HydrophobicContact CG2-CD2 4.45Å; I71-F123 HydrophobicContact CD1-CB 3.85Å; I71-F123 HydrophobicContact CD1-CD2 4.12Å; I71-F123 HydrophobicContact CD1-CG 3.95Å; I71-F123 HydrophobicContact CG1-CB 3.91Å; I71-F123 HydrophobicContact CG1-CD1 4.22Å; I71-F123 HydrophobicContact CG1-CG 3.97Å; I71-F123 HydrophobicContact CG2-CD1 3.82Å; I71-F123 HydrophobicContact CG2-CD2 4.26Å; I71-F123 HydrophobicContact CG2-CE1 3.81Å; I71-F123 HydrophobicContact CG2-CE2 4.28Å; I71-F123 HydrophobicContact CG2-CG 4.05Å; I71-F123 HydrophobicContact CG2-CZ 4.07Å; I71-I125 HydrophobicContact CD1-CG2 3.85Å; I71-I125 HydrophobicContact CG1-CG2 3.87Å
72	P	96.4	Very high	97.1	Very high	64 Å²	64	58.9 Å²	58.9	42%	0.416	28%	0.28	S	S	.	.			trans	-60.9	121.3	175.5	-23.1	34.4	0	0	0	110.3	E47 V48	E47-P72 WeakPolarHBondContact CA-O 3.41Å; E47-P72 HydrophobicContact CB-CB 4.41Å; V48-P72 PolarHBondContact N-O 3.42Å; V48-P72 VanDerWaalsContact N-O 3.09Å
73	H	97.5	Very high	96.9	Very high	46 Å²	46	60 Å²	60	21%	0.213	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	154.2	-177.2	65.9	-74.8	0	0	0	112.6	V48 L66 I71	V48-H73 HydrophobicContact CG2-CB 3.68Å; V48-H73 CarbonylContact O-C 3.59Å; V48-H73 WeakPolarHBondContact O-CA 3.13Å; V48-H73 WeakPolarHBondContact O-CB 3.37Å; L66-H73 HydrophobicContact CD1-CB 4.43Å; L66-H73 HydrophobicContact CD2-CB 4.21Å; I71-H73 PolarHBondContact O-N 3.05Å; I71-H73 PolarHBondContact O-ND1 3.4Å
74	R	98.1	Very high	96.9	Very high	145 Å²	145	62.4 Å²	62.4	55%	0.547	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	127.4	170.9	-174	176.5	-175.5	178	1.5	110.3	E47 V48 E49 V50	E47-R74 HydrophobicContact CG-CB 4.43Å; V48-R74 PolarHBondContact O-N 3.35Å; E49-R74 CarbonylContact C-O 3.59Å; E49-R74 WeakPolarHBondContact CA-O 3.48Å; E49-R74 HydrophobicContact CG-CB 4.5Å; V50-R74 PolarHBondContact N-O 2.91Å
75	I	98.1	Very high	96.8	Very high	69 Å²	69	63.6 Å²	63.6	35%	0.354	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	128.3	177.6	-65.2	170.4	0	0	0	110.2	V50 L52 H63	V50-I75 WeakPolarHBondContact O-CA 3.43Å; L52-I75 HydrophobicContact CD1-CG2 3.76Å; L52-I75 HydrophobicContact CD2-CG1 4.35Å; L52-I75 HydrophobicContact CD2-CG2 4.22Å; L52-I75 HydrophobicContact CG-CG2 3.85Å; H63-I75 VanDerWaalsContact CD2-CD1 3.44Å; H63-I75 WeakPolarHBondContact CD2-CD1 3.29Å
76	H	98.1	Very high	96.7	Very high	44 Å²	44	71.8 Å²	71.8	20%	0.204	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	106.2	169.1	-63.3	-104.2	0	0	0	108.2	E49 V50 Y51 L52 V78	E49-H76 IonicContact OE2-CE1 3.77Å; E49-H76 IonicContact OE2-NE2 2.85Å; E49-H76 PolarHBondContact OE2-NE2 2.9Å; V50-H76 PolarHBondContact O-N 3.11Å; Y51-H76 CarbonylContact C-O 3.6Å; Y51-H76 VanDerWaalsContact CA-O 3.3Å; Y51-H76 WeakPolarHBondContact CA-O 3.41Å; Y51-H76 HydrophobicContact CD1-CB 3.49Å; Y51-H76 VanDerWaalsContact CD1-CB 3.49Å; Y51-H76 HydrophobicContact CD2-CB 4.39Å; Y51-H76 HydrophobicContact CE1-CB 3.64Å; Y51-H76 AromaticContact CE1-CG 3.77Å; Y51-H76 AromaticContact CE1-ND1 3.96Å; Y51-H76 HydrophobicContact CE2-CB 4.48Å; Y51-H76 HydrophobicContact CG-CB 3.88Å; Y51-H76 AromaticContact CZ-CG 3.81Å; Y51-H76 AromaticContact CZ-ND1 3.97Å; L52-H76 PolarHBondContact N-O 3.38Å; H76-V78 PolarHBondContact O-N 2.7Å
77	S	97.7	Very high	96.7	Very high	93 Å²	93	74.3 Å²	74.3	65%	0.65	36%	0.355	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69	130.9	177.7	-179.7	0	0	0	0	110.4	L52	L52-S77 WeakPolarHBondContact O-CA 3.24Å
78	V	97.9	Very high	96.6	Very high	7 Å²	7	75.3 Å²	75.3	4%	0.042	36%	0.364	C	S	.	.			trans	-122	98.9	176.5	-179.2	0	0	0	0	108.9	Y51 L52 D53 H76 L80 E84 H85 F90 V99	Y51-V78 HydrophobicContact CD1-CG2 4.2Å; L52-V78 PolarHBondContact O-N 3.49Å; D53-V78 VanDerWaalsContact CB-O 3.29Å; D53-V78 WeakPolarHBondContact CB-O 3.44Å; H76-V78 PolarHBondContact O-N 2.7Å; V78-L80 PolarHBondContact O-N 3.14Å; V78-E84 HydrophobicContact CG1-CB 3.9Å; V78-H85 HydrophobicContact CG1-CB 4.06Å; V78-F90 HydrophobicContact CG1-CD2 4.27Å; V78-F90 HydrophobicContact CG1-CE2 4.16Å; V78-F90 HydrophobicContact CG2-CD2 4.22Å; V78-F90 HydrophobicContact CG2-CE2 3.81Å; V78-V99 HydrophobicContact CB-CG1 3.99Å; V78-V99 HydrophobicContact CG1-CG1 4.09Å; V78-V99 HydrophobicContact CG2-CG1 4.22Å
79	A	96.4	Very high	96.5	Very high	21 Å²	21	75.4 Å²	75.4	17%	0.174	37%	0.37	C	S	.	.			trans	-68.8	99.1	-174.6	0	0	0	0	0	111.8	R81 K82 G83 E84	A79-R81 VanDerWaalsContact C-N 3.26Å; A79-R81 PolarHBondContact O-N 3.48Å; A79-K82 HydrophobicContact CB-CB 4.05Å; A79-K82 HydrophobicContact CB-CD 3.97Å; A79-K82 HydrophobicContact CB-CG 4.01Å; A79-K82 PolarHBondContact O-N 3.03Å; A79-G83 PolarHBondContact O-N 3.02Å; A79-E84 HydrophobicContact CB-CG 4.34Å; A79-E84 PolarHBondContact N-OE2 2.85Å; A79-E84 PolarHBondContact O-N 3Å
80	L	95	Very high	96.5	Very high	43 Å²	43	74.7 Å²	74.7	23%	0.225	36%	0.364	C	S	.	.	G	3₁₀ helix	trans	-60.1	-38.4	-178.3	-69.2	178.9	0	0	0	112.1	D53 V78 K82 G83 H85 V99	D53-L80 HydrophobicContact CB-CD1 3.82Å; D53-L80 HydrophobicContact CB-CG 3.72Å; D53-L80 WeakPolarHBondContact OD2-CB 3.39Å; D53-L80 WeakPolarHBondContact OD2-CG 3.37Å; D53-L80 PolarHBondContact OD2-N 2.92Å; V78-L80 PolarHBondContact O-N 3.14Å; L80-K82 PolarHBondContact O-N 2.92Å; L80-G83 PolarHBondContact O-N 2.84Å; L80-H85 HydrophobicContact CD2-CB 3.93Å; L80-H85 VanDerWaalsContact CD2-ND1 3.31Å; L80-H85 WeakPolarHBondContact CD2-ND1 3.47Å; L80-H85 PolarHBondContact O-CE1 3.43Å; L80-V99 HydrophobicContact CD1-CG2 3.96Å; L80-V99 HydrophobicContact CD2-CG2 3.87Å; L80-V99 HydrophobicContact CG-CG2 4.22Å
81	R	91.4	Very high	96.5	Very high	132 Å²	132	67.7 Å²	67.7	50%	0.498	34%	0.338	S	S	.	.	G	3₁₀ helix	trans	-65.6	-22.9	177.8	-74.1	-176.6	145.9	172.2	-5.6	113.9	L55 A79	L55-R81 HydrophobicContact CD2-CG 4.03Å; A79-R81 VanDerWaalsContact C-N 3.26Å; A79-R81 PolarHBondContact O-N 3.48Å
82	K	94	Very high	96.4	Very high	169 Å²	169	75.4 Å²	75.4	74%	0.735	37%	0.371	S	S	*	.	G	3₁₀ helix	trans	-94	-2.3	175	-62.8	-176.1	-178.2	176.7	0	112.7	A79 L80 E84	A79-K82 HydrophobicContact CB-CB 4.05Å; A79-K82 HydrophobicContact CB-CD 3.97Å; A79-K82 HydrophobicContact CB-CG 4.01Å; A79-K82 PolarHBondContact O-N 3.03Å; L80-K82 PolarHBondContact O-N 2.92Å; K82-E84 VanDerWaalsContact C-N 3.34Å; K82-E84 HydrophobicContact CB-CG 4.27Å
83	G	94.8	Very high	96.3	Very high	23 Å²	23	74 Å²	74	24%	0.237	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	75.5	17.4	-179.2	0	0	0	0	0	114.6	A79 L80 H85 R86	A79-G83 PolarHBondContact O-N 3.02Å; L80-G83 PolarHBondContact O-N 2.84Å; G83-H85 PolarHBondContact O-N 3.17Å; G83-H85 VanDerWaalsContact O-N 3.14Å; G83-R86 WeakPolarHBondContact O-CB 3.27Å; G83-R86 PolarHBondContact O-N 3.17Å
84	E	97.4	Very high	96.3	Very high	71 Å²	71	72 Å²	72	33%	0.332	35%	0.351	S	S	.	.	G	3₁₀ helix	trans	-60	-27.3	-176.7	-71.9	175.7	-169.1	0	0	113.4	V78 A79 K82 R86 T87	V78-E84 HydrophobicContact CG1-CB 3.9Å; A79-E84 HydrophobicContact CB-CG 4.34Å; A79-E84 PolarHBondContact N-OE2 2.85Å; A79-E84 PolarHBondContact O-N 3Å; K82-E84 VanDerWaalsContact C-N 3.34Å; K82-E84 HydrophobicContact CB-CG 4.27Å; E84-R86 PolarHBondContact O-N 2.72Å; E84-T87 WeakPolarHBondContact O-CG2 3.46Å; E84-T87 PolarHBondContact O-N 3.21Å; E84-T87 PolarHBondContact O-OG1 3.09Å; E84-T87 VanDerWaalsContact O-OG1 3.05Å
85	H	97.2	Very high	96.3	Very high	26 Å²	26	70.4 Å²	70.4	12%	0.12	36%	0.359	C	S	.	.	G	3₁₀ helix	trans	-67.3	-11.4	173.1	61.3	-76.5	0	0	0	114.2	V78 L80 G83 F90 Q97	V78-H85 HydrophobicContact CG1-CB 4.06Å; L80-H85 HydrophobicContact CD2-CB 3.93Å; L80-H85 VanDerWaalsContact CD2-ND1 3.31Å; L80-H85 WeakPolarHBondContact CD2-ND1 3.47Å; L80-H85 PolarHBondContact O-CE1 3.43Å; G83-H85 PolarHBondContact O-N 3.17Å; G83-H85 VanDerWaalsContact O-N 3.14Å; H85-F90 HydrophobicContact CB-CD1 4.15Å; H85-F90 HydrophobicContact CB-CE1 4.15Å; H85-F90 WeakPolarHBondContact O-CD1 3.36Å; H85-Q97 PolarHBondContact CD2-O 2.85Å; H85-Q97 WeakPolarHBondContact O-CA 3.46Å; H85-Q97 WeakPolarHBondContact O-CB 3.46Å; H85-Q97 WeakPolarHBondContact O-CG 3.27Å
86	R	96.9	Very high	96.2	Very high	171 Å²	171	72.6 Å²	72.6	65%	0.645	37%	0.369	S	S	*	.	G	3₁₀ helix	trans	-103	0.8	-178.3	-55.2	-176	179.3	-173.3	-6.3	113.2	G83 E84	G83-R86 WeakPolarHBondContact O-CB 3.27Å; G83-R86 PolarHBondContact O-N 3.17Å; E84-R86 PolarHBondContact O-N 2.72Å
87	T	97.5	Very high	96.2	Very high	54 Å²	54	73.9 Å²	73.9	33%	0.331	38%	0.375	S	S	.	.	S	Bend	trans	-67.2	159.5	178.3	62.8	0	0	0	0	110.6	E84 E89 F90 S91	E84-T87 WeakPolarHBondContact O-CG2 3.46Å; E84-T87 PolarHBondContact O-N 3.21Å; E84-T87 PolarHBondContact O-OG1 3.09Å; E84-T87 VanDerWaalsContact O-OG1 3.05Å; T87-E89 WeakPolarHBondContact CB-OE2 3.36Å; T87-E89 PolarHBondContact O-N 3.34Å; T87-F90 PolarHBondContact O-N 3.24Å; T87-F90 WeakPolarHBondContact OG1-CB 3.43Å; T87-F90 PolarHBondContact OG1-N 2.83Å; T87-F90 VanDerWaalsContact OG1-N 3.13Å; T87-S91 WeakPolarHBondContact O-CB 3.43Å; T87-S91 PolarHBondContact O-N 2.89Å; T87-S91 PolarHBondContact O-OG 3.29Å
88	S	97	Very high	96.2	Very high	70 Å²	70	74.9 Å²	74.9	49%	0.49	37%	0.368	S	S	.	.	H	α-helix	trans	-65.4	-33.5	177.8	82.8	0	0	0	0	111.1	S91 K92	S88-S91 PolarHBondContact O-N 3.07Å; S88-K92 WeakPolarHBondContact O-CG 3.48Å; S88-K92 PolarHBondContact O-N 3.28Å
89	E	94.9	Very high	96.2	Very high	124 Å²	124	75.2 Å²	75.2	58%	0.579	37%	0.37	S	S	*	.	H	α-helix	trans	-65	-49.7	178	-64.6	68.6	-151.6	0	0	110.5	T87 S91 K92	T87-E89 WeakPolarHBondContact CB-OE2 3.36Å; T87-E89 PolarHBondContact O-N 3.34Å; E89-S91 VanDerWaalsContact C-N 3.32Å; E89-S91 PolarHBondContact O-N 3.31Å; E89-K92 PolarHBondContact O-N 3.49Å
90	F	97.1	Very high	96.3	Very high	13 Å²	13	74.5 Å²	74.5	6%	0.057	36%	0.364	C	S	.	.	H	α-helix	trans	-68.2	-33.8	177.3	-167.4	-89.5	0	0	0	111.9	Y51 V78 H85 T87 K92 L93 N94 K98 V99 V101	Y51-F90 HydrophobicContact CD1-CE2 4.37Å; V78-F90 HydrophobicContact CG1-CD2 4.27Å; V78-F90 HydrophobicContact CG1-CE2 4.16Å; V78-F90 HydrophobicContact CG2-CD2 4.22Å; V78-F90 HydrophobicContact CG2-CE2 3.81Å; H85-F90 HydrophobicContact CB-CD1 4.15Å; H85-F90 HydrophobicContact CB-CE1 4.15Å; H85-F90 WeakPolarHBondContact O-CD1 3.36Å; T87-F90 PolarHBondContact O-N 3.24Å; T87-F90 WeakPolarHBondContact OG1-CB 3.43Å; T87-F90 PolarHBondContact OG1-N 2.83Å; T87-F90 VanDerWaalsContact OG1-N 3.13Å; F90-K92 VanDerWaalsContact C-N 3.25Å; F90-K92 PolarHBondContact O-N 3.45Å; F90-L93 HydrophobicContact CD2-CD2 4.36Å; F90-L93 HydrophobicContact CE2-CD2 4.11Å; F90-L93 WeakPolarHBondContact O-CA 3.49Å; F90-L93 WeakPolarHBondContact O-CB 3.49Å; F90-L93 PolarHBondContact O-N 3.16Å; F90-N94 HydrophobicContact CE1-CB 4.13Å; F90-N94 PolarHBondContact O-N 2.85Å; F90-K98 WeakPolarHBondContact CE1-O 3.22Å; F90-K98 WeakPolarHBondContact CZ-O 3.21Å; F90-V99 HydrophobicContact CE2-CG1 4.14Å; F90-V99 HydrophobicContact CZ-CG1 3.65Å; F90-V101 HydrophobicContact CZ-CG2 3.88Å
91	S	96.2	Very high	96.5	Very high	30 Å²	30	72.5 Å²	72.5	21%	0.21	35%	0.353	C	S	.	.	H	α-helix	trans	-65.1	-28.6	178	-57.6	0	0	0	0	113	T87 S88 E89 L93 N94 P95 Q97	T87-S91 WeakPolarHBondContact O-CB 3.43Å; T87-S91 PolarHBondContact O-N 2.89Å; T87-S91 PolarHBondContact O-OG 3.29Å; S88-S91 PolarHBondContact O-N 3.07Å; E89-S91 VanDerWaalsContact C-N 3.32Å; E89-S91 PolarHBondContact O-N 3.31Å; S91-L93 VanDerWaalsContact C-N 3.3Å; S91-N94 CarbonylContact O-C 3.35Å; S91-P95 WeakPolarHBondContact O-CA 3.44Å; S91-Q97 PolarHBondContact OG-NE2 2.91Å
92	K	95	Very high	96.8	Very high	169 Å²	169	66.2 Å²	66.2	74%	0.735	33%	0.329	S	S	*	.	H	α-helix	trans	-67.9	-32.2	171.2	-68.8	167.3	-172.2	172	0	112	S88 E89 F90	S88-K92 WeakPolarHBondContact O-CG 3.48Å; S88-K92 PolarHBondContact O-N 3.28Å; E89-K92 PolarHBondContact O-N 3.49Å; F90-K92 VanDerWaalsContact C-N 3.25Å; F90-K92 PolarHBondContact O-N 3.45Å
93	L	95.1	Very high	97	Very high	33 Å²	33	58.9 Å²	58.9	17%	0.173	30%	0.299	C	S	.	.	H	α-helix	trans	-77.4	-46.6	176.9	-178	70.3	0	0	0	111.4	Y51 F90 S91 V101 V103 I108	Y51-L93 HydrophobicContact CD1-CD2 3.75Å; Y51-L93 HydrophobicContact CD2-CD2 3.62Å; Y51-L93 HydrophobicContact CE1-CD2 3.89Å; Y51-L93 HydrophobicContact CE2-CD2 3.81Å; Y51-L93 HydrophobicContact CG-CD2 3.63Å; F90-L93 HydrophobicContact CD2-CD2 4.36Å; F90-L93 HydrophobicContact CE2-CD2 4.11Å; F90-L93 WeakPolarHBondContact O-CA 3.49Å; F90-L93 WeakPolarHBondContact O-CB 3.49Å; F90-L93 PolarHBondContact O-N 3.16Å; S91-L93 VanDerWaalsContact C-N 3.3Å; L93-V101 HydrophobicContact CD1-CG1 4.31Å; L93-V101 HydrophobicContact CD2-CB 4.24Å; L93-V101 HydrophobicContact CD2-CG1 4.11Å; L93-V101 HydrophobicContact CD2-CG2 4.49Å; L93-V101 HydrophobicContact CG-CG1 3.98Å; L93-V103 HydrophobicContact CD1-CG2 3.81Å; L93-I108 HydrophobicContact CD1-CD1 4.02Å; L93-I108 HydrophobicContact CD1-CG1 4.3Å; L93-I108 HydrophobicContact CD1-CG2 4.19Å
94	N	97.4	Very high	97.1	Very high	6 Å²	6	58.6 Å²	58.6	3%	0.032	29%	0.292	C	S	.	.			trans	-140.2	106	176.5	-179.4	7.4	0	0	0	110.9	F90 S91 M96 Q97 K98 V101 T110	F90-N94 HydrophobicContact CE1-CB 4.13Å; F90-N94 PolarHBondContact O-N 2.85Å; S91-N94 CarbonylContact O-C 3.35Å; N94-M96 PolarHBondContact O-N 2.88Å; N94-M96 VanDerWaalsContact O-N 3.09Å; N94-M96 WeakPolarHBondContact OD1-CB 3.24Å; N94-M96 PolarHBondContact OD1-N 3.32Å; N94-Q97 PolarHBondContact O-N 3.46Å; N94-K98 PolarHBondContact ND2-N 3.31Å; N94-K98 PolarHBondContact ND2-O 3Å; N94-V101 HydrophobicContact CB-CG2 3.77Å; N94-T110 HydrophobicContact CB-CG2 4.21Å
95	P	96.6	Very high	96.9	Very high	110 Å²	110	58.1 Å²	58.1	71%	0.714	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-23	177.6	-26.8	35.5	0	0	0	114.4	S91 Q97	S91-P95 WeakPolarHBondContact O-CA 3.44Å; P95-Q97 PolarHBondContact O-N 3.35Å
96	M	96.5	Very high	96.6	Very high	116 Å²	116	60.7 Å²	60.7	57%	0.571	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-7.2	175.2	-65.8	-65	-68.6	0	0	113.2	N94 K98	N94-M96 PolarHBondContact O-N 2.88Å; N94-M96 VanDerWaalsContact O-N 3.09Å; N94-M96 WeakPolarHBondContact OD1-CB 3.24Å; N94-M96 PolarHBondContact OD1-N 3.32Å; M96-K98 VanDerWaalsContact C-N 3.25Å; M96-K98 HydrophobicContact CB-CD 4.48Å; M96-K98 WeakPolarHBondContact O-CG 3.35Å; M96-K98 PolarHBondContact O-N 3.34Å
97	Q	97.7	Very high	96.6	Very high	70 Å²	70	57.1 Å²	57.1	33%	0.327	33%	0.329	S	S	.	.			trans	54.6	40.4	179.4	-64.6	-177.4	-12.4	0	0	112.6	H85 S91 N94 P95	H85-Q97 PolarHBondContact CD2-O 2.85Å; H85-Q97 WeakPolarHBondContact O-CA 3.46Å; H85-Q97 WeakPolarHBondContact O-CB 3.46Å; H85-Q97 WeakPolarHBondContact O-CG 3.27Å; S91-Q97 PolarHBondContact OG-NE2 2.91Å; N94-Q97 PolarHBondContact O-N 3.46Å; P95-Q97 PolarHBondContact O-N 3.35Å
98	K	98	Very high	96.6	Very high	115 Å²	115	58.4 Å²	58.4	50%	0.5	33%	0.333	S	S	.	.			trans	-125.4	153.9	-177.9	-73.1	174.3	-171	178.8	0	111.8	F90 N94 M96 V101	F90-K98 WeakPolarHBondContact CE1-O 3.22Å; F90-K98 WeakPolarHBondContact CZ-O 3.21Å; N94-K98 PolarHBondContact ND2-N 3.31Å; N94-K98 PolarHBondContact ND2-O 3Å; M96-K98 VanDerWaalsContact C-N 3.25Å; M96-K98 HydrophobicContact CB-CD 4.48Å; M96-K98 WeakPolarHBondContact O-CG 3.35Å; M96-K98 PolarHBondContact O-N 3.34Å; K98-V101 WeakPolarHBondContact O-CG2 3.44Å
99	V	98.4	Very high	96.7	Very high	14 Å²	14	56.7 Å²	56.7	9%	0.085	32%	0.318	C	S	.	.	S	Bend	trans	-112.4	152.9	169.1	-65.7	0	0	0	0	109.3	C59 V78 L80 F90	C59-V99 VanDerWaalsContact SG-CG2 3.5Å; V78-V99 HydrophobicContact CB-CG1 3.99Å; V78-V99 HydrophobicContact CG1-CG1 4.09Å; V78-V99 HydrophobicContact CG2-CG1 4.22Å; L80-V99 HydrophobicContact CD1-CG2 3.96Å; L80-V99 HydrophobicContact CD2-CG2 3.87Å; L80-V99 HydrophobicContact CG-CG2 4.22Å; F90-V99 HydrophobicContact CE2-CG1 4.14Å; F90-V99 HydrophobicContact CZ-CG1 3.65Å
100	P	98.6	Very high	96.9	Very high	6 Å²	6	52.9 Å²	52.9	4%	0.039	30%	0.303	C	S	.	.			cis	-77.7	159.8	1.3	31.6	-34.3	0	0	0	113.8	Y51 P58 V62 I115	Y51-P100 VanDerWaalsContact O-CA 3.27Å; Y51-P100 WeakPolarHBondContact O-CA 3.29Å; P58-P100 HydrophobicContact CB-CG 4.37Å; V62-P100 HydrophobicContact CG2-CG 4.04Å; P100-I115 HydrophobicContact CB-CD1 4.23Å; P100-I115 HydrophobicContact CG-CD1 4.01Å
101	V	98.8	Very high	96.9	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	132.3	165.8	-174.1	0	0	0	0	108.3	V50 Y51 F90 L93 N94 K98 I108 T110	V50-V101 CarbonylContact C-O 3.41Å; V50-V101 WeakPolarHBondContact CA-O 3.48Å; Y51-V101 PolarHBondContact N-O 3.27Å; Y51-V101 PolarHBondContact O-N 3.34Å; Y51-V101 VanDerWaalsContact O-N 3.08Å; F90-V101 HydrophobicContact CZ-CG2 3.88Å; L93-V101 HydrophobicContact CD1-CG1 4.31Å; L93-V101 HydrophobicContact CD2-CB 4.24Å; L93-V101 HydrophobicContact CD2-CG1 4.11Å; L93-V101 HydrophobicContact CD2-CG2 4.49Å; L93-V101 HydrophobicContact CG-CG1 3.98Å; N94-V101 HydrophobicContact CB-CG2 3.77Å; K98-V101 WeakPolarHBondContact O-CG2 3.44Å; V101-I108 HydrophobicContact CG1-CG2 3.7Å; V101-T110 HydrophobicContact CG1-CG2 4.4Å; V101-T110 HydrophobicContact CG2-CG2 4.39Å
102	L	98.7	Very high	97.1	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	140.2	172.1	178	146.3	0	0	0	109.8	V48 E49 V50 D104 I108 L109 I115 Y118 L119	V48-L102 HydrophobicContact CB-CD1 4.4Å; V48-L102 HydrophobicContact CB-CG 4.5Å; V48-L102 HydrophobicContact CG2-CD1 4.42Å; E49-L102 CarbonylContact O-C 3.48Å; E49-L102 WeakPolarHBondContact O-CA 3.44Å; V50-L102 HydrophobicContact CG2-CD1 4.49Å; L102-D104 HydrophobicContact CD2-CB 4.18Å; L102-I108 WeakPolarHBondContact O-CA 3.41Å; L102-L109 HydrophobicContact CD2-CB 4.44Å; L102-L109 PolarHBondContact N-O 3.23Å; L102-L109 PolarHBondContact O-N 3.15Å; L102-I115 HydrophobicContact CB-CD1 4.07Å; L102-I115 HydrophobicContact CB-CG1 3.94Å; L102-I115 HydrophobicContact CB-CG2 4.09Å; L102-I115 HydrophobicContact CD1-CG2 3.89Å; L102-Y118 HydrophobicContact CD1-CD1 4.25Å; L102-Y118 HydrophobicContact CD1-CE1 4.47Å; L102-Y118 HydrophobicContact CD2-CD1 4.11Å; L102-Y118 HydrophobicContact CD2-CE1 3.87Å; L102-L119 HydrophobicContact CD1-CD1 4.27Å; L102-L119 HydrophobicContact CD1-CD2 3.64Å; L102-L119 HydrophobicContact CD1-CG 3.95Å
103	V	98	Very high	97.2	Very high	15 Å²	15	48.3 Å²	48.3	9%	0.091	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	117.5	170	-172.9	0	0	0	0	108.7	E49 Y51 L93 G105 F107 I108	E49-V103 HydrophobicContact CB-CB 4.19Å; E49-V103 PolarHBondContact N-O 3.23Å; E49-V103 PolarHBondContact O-N 2.92Å; Y51-V103 HydrophobicContact CD2-CG2 4.3Å; Y51-V103 HydrophobicContact CE2-CG2 3.85Å; L93-V103 HydrophobicContact CD1-CG2 3.81Å; V103-G105 VanDerWaalsContact CG1-O 3.28Å; V103-G105 WeakPolarHBondContact CG1-O 3.24Å; V103-F107 CarbonylContact C-O 3.58Å; V103-F107 WeakPolarHBondContact CA-O 3.28Å; V103-I108 HydrophobicContact CG1-CG1 4.4Å; V103-I108 HydrophobicContact CG2-CG1 4.26Å
104	D	96.6	Very high	97.4	Very high	18 Å²	18	48.5 Å²	48.5	10%	0.096	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	96.2	168.2	-178	14	0	0	0	109.1	V48 L102 G106 F107 Y118	V48-D104 HydrophobicContact CG1-CB 3.98Å; L102-D104 HydrophobicContact CD2-CB 4.18Å; D104-G106 PolarHBondContact O-N 3.01Å; D104-F107 PolarHBondContact N-O 3.41Å; D104-F107 WeakPolarHBondContact O-CB 3.41Å; D104-F107 PolarHBondContact O-N 2.87Å; D104-Y118 HydrophobicContact CB-CE1 4.47Å; D104-Y118 PolarHBondContact OD2-OH 2.89Å
105	G	92.4	Very high	97.5	Very high	60 Å²	60	48.2 Å²	48.2	62%	0.619	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.5	-108.9	-171.3	0	0	0	0	0	111.8	V103	V103-G105 VanDerWaalsContact CG1-O 3.28Å; V103-G105 WeakPolarHBondContact CG1-O 3.24Å
106	G	91.9	Very high	97.6	Very high	81 Å²	81	43 Å²	43	84%	0.835	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.7	-3.6	176.8	0	0	0	0	0	114.4	D104	D104-G106 PolarHBondContact O-N 3.01Å
107	F	96.7	Very high	97.7	Very high	96 Å²	96	40.1 Å²	40.1	42%	0.421	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	115.2	-177.9	178.4	-115.9	0	0	0	110.4	V103 D104 L109 Y118	V103-F107 CarbonylContact C-O 3.58Å; V103-F107 WeakPolarHBondContact CA-O 3.28Å; D104-F107 PolarHBondContact N-O 3.41Å; D104-F107 WeakPolarHBondContact O-CB 3.41Å; D104-F107 PolarHBondContact O-N 2.87Å; F107-L109 HydrophobicContact CE1-CB 3.9Å; F107-L109 HydrophobicContact CE1-CD2 4.11Å; F107-L109 HydrophobicContact CE1-CG 4.42Å; F107-L109 HydrophobicContact CZ-CB 4.15Å; F107-L109 HydrophobicContact CZ-CD1 4.1Å; F107-L109 HydrophobicContact CZ-CD2 4.38Å; F107-L109 HydrophobicContact CZ-CG 4.45Å; F107-Y118 HydrophobicContact CD1-CE2 4.11Å; F107-Y118 HydrophobicContact CE1-CD2 4.01Å; F107-Y118 AromaticContact CE1-CE2 3.72Å; F107-Y118 HydrophobicContact CE1-CE2 3.72Å
108	I	98	Very high	97.7	Very high	81 Å²	81	38.8 Å²	38.8	42%	0.415	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	128.2	178.4	-58.6	166.4	0	0	0	108.5	L93 V101 L102 V103	L93-I108 HydrophobicContact CD1-CD1 4.02Å; L93-I108 HydrophobicContact CD1-CG1 4.3Å; L93-I108 HydrophobicContact CD1-CG2 4.19Å; V101-I108 HydrophobicContact CG1-CG2 3.7Å; L102-I108 WeakPolarHBondContact O-CA 3.41Å; V103-I108 HydrophobicContact CG1-CG1 4.4Å; V103-I108 HydrophobicContact CG2-CG1 4.26Å
109	L	98.6	Very high	97.7	Very high	34 Å²	34	33.3 Å²	33.3	18%	0.178	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	134.8	179.5	-171.9	62.5	0	0	0	111.1	L102 F107 A114 I115 Y118	L102-L109 HydrophobicContact CD2-CB 4.44Å; L102-L109 PolarHBondContact N-O 3.23Å; L102-L109 PolarHBondContact O-N 3.15Å; F107-L109 HydrophobicContact CE1-CB 3.9Å; F107-L109 HydrophobicContact CE1-CD2 4.11Å; F107-L109 HydrophobicContact CE1-CG 4.42Å; F107-L109 HydrophobicContact CZ-CB 4.15Å; F107-L109 HydrophobicContact CZ-CD1 4.1Å; F107-L109 HydrophobicContact CZ-CD2 4.38Å; F107-L109 HydrophobicContact CZ-CG 4.45Å; L109-A114 HydrophobicContact CD1-CB 4.2Å; L109-A114 HydrophobicContact CD2-CB 4.29Å; L109-A114 HydrophobicContact CG-CB 4.36Å; L109-I115 HydrophobicContact CB-CG1 4.4Å; L109-I115 HydrophobicContact CD2-CG1 4.15Å; L109-I115 HydrophobicContact CG-CG1 4.03Å; L109-Y118 HydrophobicContact CD2-CD1 4.42Å; L109-Y118 HydrophobicContact CD2-CD2 4.49Å; L109-Y118 HydrophobicContact CD2-CG 3.94Å
110	T	98.4	Very high	97.7	Very high	44 Å²	44	33.3 Å²	33.3	27%	0.27	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	176	175.7	63.2	0	0	0	0	109.9	N94 V101	N94-T110 HydrophobicContact CB-CG2 4.21Å; V101-T110 HydrophobicContact CG1-CG2 4.4Å; V101-T110 HydrophobicContact CG2-CG2 4.39Å
111	E	98.4	Very high	97.5	Very high	96 Å²	96	35.9 Å²	35.9	45%	0.449	22%	0.224	S	C	.	.	S	Bend	trans	68.2	119	-173.8	-54.9	-58.8	138.9	0	0	113	D113 A114 I115	E111-D113 PolarHBondContact O-N 3.23Å; E111-A114 HydrophobicContact CB-CB 4.33Å; E111-A114 PolarHBondContact O-N 3.26Å; E111-I115 WeakPolarHBondContact O-CG1 3.41Å; E111-I115 PolarHBondContact O-N 2.89Å
112	S	98.5	Very high	97.4	Very high	7 Å²	7	37 Å²	37	5%	0.049	23%	0.23	C	C	.	.	H	α-helix	trans	-54.6	-40.1	-177.5	40.6	0	0	0	0	112.9	P58 I115 L116	P58-S112 VanDerWaalsContact CB-CB 3.48Å; P58-S112 WeakPolarHBondContact CB-OG 3.4Å; S112-I115 PolarHBondContact O-N 3.28Å; S112-L116 WeakPolarHBondContact O-CB 3.46Å; S112-L116 WeakPolarHBondContact O-CG 3.46Å; S112-L116 PolarHBondContact O-N 3.34Å
113	D	98.6	Very high	97.2	Very high	12 Å²	12	37.7 Å²	37.7	6%	0.064	23%	0.234	C	C	.	.	H	α-helix	trans	-65.3	-43	-176.1	-74.4	60.6	0	0	0	111.3	E111 K117 M144 H147 H148 L214	E111-D113 PolarHBondContact O-N 3.23Å; D113-K117 WeakPolarHBondContact O-CB 3.25Å; D113-K117 WeakPolarHBondContact O-CD 3.39Å; D113-K117 WeakPolarHBondContact O-CG 3.37Å; D113-K117 PolarHBondContact O-N 3.01Å; D113-K117 VanDerWaalsContact O-N 3.13Å; D113-M144 VanDerWaalsContact CA-CE 3.41Å; D113-M144 HydrophobicContact CB-CE 3.55Å; D113-M144 WeakPolarHBondContact O-CE 3.35Å; D113-M144 WeakPolarHBondContact OD2-CB 3.29Å; D113-M144 WeakPolarHBondContact OD2-CE 3.49Å; D113-M144 WeakPolarHBondContact OD2-CG 3.47Å; D113-H147 IonicContact OD1-CE1 3.7Å; D113-H147 PolarHBondContact OD1-CE1 3.16Å; D113-H147 IonicContact OD1-NE2 3.57Å; D113-H147 PolarHBondContact OD1-NE2 3.12Å; D113-H147 IonicContact OD2-CD2 4Å; D113-H147 IonicContact OD2-CE1 3.9Å; D113-H147 IonicContact OD2-NE2 3.28Å; D113-H147 PolarHBondContact OD2-NE2 2.71Å; D113-H148 IonicContact OD1-CE1 2.65Å; D113-H148 IonicContact OD1-NE2 2.7Å; D113-H148 IonicContact OD2-NE2 3.56Å; D113-L214 WeakPolarHBondContact OD2-CD1 3.2Å
114	A	98.8	Very high	97	Very high	38 Å²	38	43.1 Å²	43.1	31%	0.314	26%	0.262	S	S	.	.	H	α-helix	trans	-67.6	-42.7	173.8	0	0	0	0	0	111.4	L109 E111 K117 Y118	L109-A114 HydrophobicContact CD1-CB 4.2Å; L109-A114 HydrophobicContact CD2-CB 4.29Å; L109-A114 HydrophobicContact CG-CB 4.36Å; E111-A114 HydrophobicContact CB-CB 4.33Å; E111-A114 PolarHBondContact O-N 3.26Å; A114-K117 PolarHBondContact O-N 3.48Å; A114-Y118 WeakPolarHBondContact O-CB 3.4Å; A114-Y118 PolarHBondContact O-N 3.5Å
115	I	98.8	Very high	96.9	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-60.6	-48.4	177.6	-69.3	167.1	0	0	0	111.2	V62 P100 L102 L109 E111 S112 K117 Y118 L119	V62-I115 HydrophobicContact CG1-CG2 3.94Å; V62-I115 HydrophobicContact CG2-CB 4.39Å; V62-I115 HydrophobicContact CG2-CG2 3.83Å; P100-I115 HydrophobicContact CB-CD1 4.23Å; P100-I115 HydrophobicContact CG-CD1 4.01Å; L102-I115 HydrophobicContact CB-CD1 4.07Å; L102-I115 HydrophobicContact CB-CG1 3.94Å; L102-I115 HydrophobicContact CB-CG2 4.09Å; L102-I115 HydrophobicContact CD1-CG2 3.89Å; L109-I115 HydrophobicContact CB-CG1 4.4Å; L109-I115 HydrophobicContact CD2-CG1 4.15Å; L109-I115 HydrophobicContact CG-CG1 4.03Å; E111-I115 WeakPolarHBondContact O-CG1 3.41Å; E111-I115 PolarHBondContact O-N 2.89Å; S112-I115 PolarHBondContact O-N 3.28Å; I115-K117 PolarHBondContact O-N 3.24Å; I115-Y118 PolarHBondContact O-N 3.44Å; I115-L119 HydrophobicContact CG2-CD1 3.88Å; I115-L119 HydrophobicContact CG2-CG 4.39Å; I115-L119 WeakPolarHBondContact O-CB 3.06Å; I115-L119 VanDerWaalsContact O-CG 3.27Å; I115-L119 WeakPolarHBondContact O-CG 3.45Å; I115-L119 PolarHBondContact O-N 3.16Å
116	L	98.9	Very high	97.2	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-61.7	-45.3	179.7	-72.1	167	0	0	0	111.3	A61 V62 L65 S112 L119 A120 V210 L214	A61-L116 HydrophobicContact CB-CD1 4.29Å; V62-L116 HydrophobicContact CG2-CD2 4.18Å; V62-L116 HydrophobicContact CG2-CG 4.17Å; L65-L116 HydrophobicContact CB-CD2 3.89Å; L65-L116 HydrophobicContact CD2-CD2 3.55Å; L65-L116 HydrophobicContact CG-CD2 4.31Å; S112-L116 WeakPolarHBondContact O-CB 3.46Å; S112-L116 WeakPolarHBondContact O-CG 3.46Å; S112-L116 PolarHBondContact O-N 3.34Å; L116-L119 PolarHBondContact O-N 3.11Å; L116-A120 WeakPolarHBondContact O-CB 3.21Å; L116-A120 PolarHBondContact O-N 3.48Å; L116-V210 HydrophobicContact CB-CB 4.22Å; L116-V210 HydrophobicContact CB-CG1 4.06Å; L116-V210 HydrophobicContact CD1-CB 4.36Å; L116-V210 HydrophobicContact CD2-CG1 4.37Å; L116-L214 HydrophobicContact CD1-CD1 4Å; L116-L214 HydrophobicContact CD1-CD2 3.81Å; L116-L214 HydrophobicContact CD1-CG 3.77Å
117	K	98.6	Very high	97.4	Very high	55 Å²	55	44.7 Å²	44.7	24%	0.239	24%	0.237	C	C	.	.	H	α-helix	trans	-61.3	-47.5	174.8	-72.7	171.2	178.6	-176	0	111.4	D113 A114 I115 L119 A120 T121 Y130 D141 M144	D113-K117 WeakPolarHBondContact O-CB 3.25Å; D113-K117 WeakPolarHBondContact O-CD 3.39Å; D113-K117 WeakPolarHBondContact O-CG 3.37Å; D113-K117 PolarHBondContact O-N 3.01Å; D113-K117 VanDerWaalsContact O-N 3.13Å; A114-K117 PolarHBondContact O-N 3.48Å; I115-K117 PolarHBondContact O-N 3.24Å; K117-L119 PolarHBondContact O-N 3Å; K117-A120 PolarHBondContact O-N 3.13Å; K117-T121 WeakPolarHBondContact O-CG2 3.25Å; K117-T121 PolarHBondContact O-N 2.89Å; K117-T121 PolarHBondContact O-OG1 3.45Å; K117-Y130 HydrophobicContact CB-CE1 4.31Å; K117-Y130 HydrophobicContact CD-CE2 4.37Å; K117-Y130 HydrophobicContact CG-CD2 4.4Å; K117-Y130 HydrophobicContact CG-CE1 4.07Å; K117-Y130 HydrophobicContact CG-CE2 3.99Å; K117-D141 WeakPolarHBondContact CE-OD1 3.39Å; K117-D141 IonicContact NZ-OD1 3.47Å; K117-D141 PolarHBondContact NZ-OD1 3.33Å; K117-M144 HydrophobicContact CD-CE 4.19Å; K117-M144 WeakPolarHBondContact CE-SD 3.19Å; K117-M144 HydrophobicContact CG-CE 4.04Å; K117-M144 HydrophobicContact CG-SD 4.44Å
118	Y	98.4	Very high	97.5	Very high	42 Å²	42	42.6 Å²	42.6	17%	0.165	23%	0.229	C	C	.	.	H	α-helix	trans	-57.2	-50.8	178.8	172.9	-98.7	0	0	0	111.3	L102 D104 F107 L109 A114 I115 A120 T121 T122	L102-Y118 HydrophobicContact CD1-CD1 4.25Å; L102-Y118 HydrophobicContact CD1-CE1 4.47Å; L102-Y118 HydrophobicContact CD2-CD1 4.11Å; L102-Y118 HydrophobicContact CD2-CE1 3.87Å; D104-Y118 HydrophobicContact CB-CE1 4.47Å; D104-Y118 PolarHBondContact OD2-OH 2.89Å; F107-Y118 HydrophobicContact CD1-CE2 4.11Å; F107-Y118 HydrophobicContact CE1-CD2 4.01Å; F107-Y118 AromaticContact CE1-CE2 3.72Å; F107-Y118 HydrophobicContact CE1-CE2 3.72Å; L109-Y118 HydrophobicContact CD2-CD1 4.42Å; L109-Y118 HydrophobicContact CD2-CD2 4.49Å; L109-Y118 HydrophobicContact CD2-CG 3.94Å; A114-Y118 WeakPolarHBondContact O-CB 3.4Å; A114-Y118 PolarHBondContact O-N 3.5Å; I115-Y118 PolarHBondContact O-N 3.44Å; Y118-A120 VanDerWaalsContact C-N 3.34Å; Y118-A120 PolarHBondContact O-N 3.5Å; Y118-T121 PolarHBondContact O-N 3.3Å; Y118-T121 PolarHBondContact O-OG1 2.92Å; Y118-T122 WeakPolarHBondContact CD2-OG1 3.22Å; Y118-T122 HydrophobicContact CE2-CG2 4.41Å; Y118-T122 WeakPolarHBondContact CE2-OG1 3.07Å; Y118-T122 WeakPolarHBondContact O-CB 3.47Å; Y118-T122 PolarHBondContact O-N 3.18Å; Y118-T122 PolarHBondContact O-OG1 3.45Å
119	L	98.1	Very high	97.5	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-57.3	-47.3	177	-70.7	170.4	0	0	0	111.1	V48 V62 L65 L66 I71 L102 I115 L116 K117 T121 T122 F123	V48-L119 HydrophobicContact CG2-CD2 4.4Å; V62-L119 HydrophobicContact CG1-CD1 4.38Å; L65-L119 HydrophobicContact CD2-CB 4.1Å; L65-L119 HydrophobicContact CD2-CD1 4.26Å; L66-L119 HydrophobicContact CD2-CD1 3.73Å; L66-L119 HydrophobicContact CD2-CD2 3.88Å; L66-L119 HydrophobicContact CD2-CG 4.46Å; L66-L119 HydrophobicContact CG-CD1 4.08Å; I71-L119 HydrophobicContact CD1-CB 4.14Å; I71-L119 HydrophobicContact CD1-CD2 4.14Å; I71-L119 HydrophobicContact CG2-CD2 4.45Å; L102-L119 HydrophobicContact CD1-CD1 4.27Å; L102-L119 HydrophobicContact CD1-CD2 3.64Å; L102-L119 HydrophobicContact CD1-CG 3.95Å; I115-L119 HydrophobicContact CG2-CD1 3.88Å; I115-L119 HydrophobicContact CG2-CG 4.39Å; I115-L119 WeakPolarHBondContact O-CB 3.06Å; I115-L119 VanDerWaalsContact O-CG 3.27Å; I115-L119 WeakPolarHBondContact O-CG 3.45Å; I115-L119 PolarHBondContact O-N 3.16Å; L116-L119 PolarHBondContact O-N 3.11Å; K117-L119 PolarHBondContact O-N 3Å; L119-T121 VanDerWaalsContact C-N 3.32Å; L119-T121 PolarHBondContact O-N 2.84Å; L119-T122 PolarHBondContact O-N 3.42Å; L119-F123 HydrophobicContact CD2-CD2 4Å; L119-F123 HydrophobicContact CD2-CE2 3.85Å; L119-F123 PolarHBondContact O-N 3.33Å
120	A	97.4	Very high	97.5	Very high	15 Å²	15	38.6 Å²	38.6	12%	0.124	21%	0.206	C	C	.	.	H	α-helix	trans	-68.1	-26.4	-178.9	0	0	0	0	0	114.5	L116 K117 Y118 I125	L116-A120 WeakPolarHBondContact O-CB 3.21Å; L116-A120 PolarHBondContact O-N 3.48Å; K117-A120 PolarHBondContact O-N 3.13Å; Y118-A120 VanDerWaalsContact C-N 3.34Å; Y118-A120 PolarHBondContact O-N 3.5Å; A120-I125 HydrophobicContact CB-CD1 3.89Å
121	T	95.7	Very high	97.5	Very high	60 Å²	60	36.5 Å²	36.5	37%	0.368	19%	0.193	S	C	.	.	H	α-helix	trans	-92.8	-19.7	177.2	57.5	0	0	0	0	114.2	K117 Y118 L119 Y130 W132	K117-T121 WeakPolarHBondContact O-CG2 3.25Å; K117-T121 PolarHBondContact O-N 2.89Å; K117-T121 PolarHBondContact O-OG1 3.45Å; Y118-T121 PolarHBondContact O-N 3.3Å; Y118-T121 PolarHBondContact O-OG1 2.92Å; L119-T121 VanDerWaalsContact C-N 3.32Å; L119-T121 PolarHBondContact O-N 2.84Å; T121-Y130 HydrophobicContact CG2-CD1 3.77Å; T121-Y130 HydrophobicContact CG2-CE1 3.95Å; T121-W132 HydrophobicContact CG2-CH2 4.18Å
122	T	95.3	Very high	97.4	Very high	23 Å²	23	39.3 Å²	39.3	14%	0.141	20%	0.2	C	C	.	.	H	α-helix	trans	-98.6	-37.3	-172.7	-55.6	0	0	0	0	111.8	Y44 Y118 L119	Y44-T122 HydrophobicContact CD1-CG2 3.73Å; Y44-T122 HydrophobicContact CD2-CG2 3.73Å; Y44-T122 WeakPolarHBondContact CD2-O 3.4Å; Y44-T122 HydrophobicContact CE1-CG2 3.86Å; Y44-T122 HydrophobicContact CE2-CG2 3.87Å; Y44-T122 HydrophobicContact CG-CG2 3.67Å; Y118-T122 WeakPolarHBondContact CD2-OG1 3.22Å; Y118-T122 HydrophobicContact CE2-CG2 4.41Å; Y118-T122 WeakPolarHBondContact CE2-OG1 3.07Å; Y118-T122 WeakPolarHBondContact O-CB 3.47Å; Y118-T122 PolarHBondContact O-N 3.18Å; Y118-T122 PolarHBondContact O-OG1 3.45Å; L119-T122 PolarHBondContact O-N 3.42Å
123	F	95.3	Very high	97.3	Very high	15 Å²	15	43.4 Å²	43.4	7%	0.066	22%	0.218	C	C	.	.	S	Bend	trans	-99.2	151.1	-178.7	-66.6	-92.7	0	0	0	111.1	Y44 V48 I71 L119 I125	Y44-F123 WeakPolarHBondContact O-CE1 3.28Å; V48-F123 HydrophobicContact CG1-CE2 4.06Å; V48-F123 HydrophobicContact CG1-CZ 3.62Å; I71-F123 HydrophobicContact CD1-CB 3.85Å; I71-F123 HydrophobicContact CD1-CD2 4.12Å; I71-F123 HydrophobicContact CD1-CG 3.95Å; I71-F123 HydrophobicContact CG1-CB 3.91Å; I71-F123 HydrophobicContact CG1-CD1 4.22Å; I71-F123 HydrophobicContact CG1-CG 3.97Å; I71-F123 HydrophobicContact CG2-CD1 3.82Å; I71-F123 HydrophobicContact CG2-CD2 4.26Å; I71-F123 HydrophobicContact CG2-CE1 3.81Å; I71-F123 HydrophobicContact CG2-CE2 4.28Å; I71-F123 HydrophobicContact CG2-CG 4.05Å; I71-F123 HydrophobicContact CG2-CZ 4.07Å; L119-F123 HydrophobicContact CD2-CD2 4Å; L119-F123 HydrophobicContact CD2-CE2 3.85Å; L119-F123 PolarHBondContact O-N 3.33Å; F123-I125 VanDerWaalsContact C-N 3.25Å; F123-I125 HydrophobicContact CB-CG2 4.12Å; F123-I125 PolarHBondContact O-N 3.24Å
124	D	93.4	Very high	97.3	Very high	129 Å²	129	47.3 Å²	47.3	69%	0.69	24%	0.244	S	C	*	.			trans	-77.7	77.6	177.1	-169.9	28.3	0	0	0	110
125	I	95.8	Very high	97.3	Very high	18 Å²	18	51.4 Å²	51.4	9%	0.092	26%	0.257	C	S	.	.			trans	-113.4	160	175.3	71	168.3	0	0	0	110	L65 T69 I71 A120 F123 E127 W129	L65-I125 HydrophobicContact CD1-CD1 4.19Å; T69-I125 HydrophobicContact CG2-CB 4Å; T69-I125 HydrophobicContact CG2-CD1 4.05Å; T69-I125 HydrophobicContact CG2-CG2 3.97Å; I71-I125 HydrophobicContact CD1-CG2 3.85Å; I71-I125 HydrophobicContact CG1-CG2 3.87Å; A120-I125 HydrophobicContact CB-CD1 3.89Å; F123-I125 VanDerWaalsContact C-N 3.25Å; F123-I125 HydrophobicContact CB-CG2 4.12Å; F123-I125 PolarHBondContact O-N 3.24Å; I125-E127 PolarHBondContact O-N 2.86Å; I125-W129 HydrophobicContact CD1-CB 3.97Å; I125-W129 HydrophobicContact CD1-CG 3.96Å
126	P	97.5	Very high	97.2	Very high	68 Å²	68	55.6 Å²	55.6	44%	0.442	27%	0.273	S	S	.	.			trans	-53	133.3	-179.8	-29.5	36.9	0	0	0	113.6	H128 W129	P126-H128 WeakPolarHBondContact CB-CE1 3.43Å; P126-H128 PolarHBondContact O-N 2.91Å; P126-W129 VanDerWaalsContact O-CD1 3.22Å; P126-W129 PolarHBondContact O-N 3.15Å
127	E	97.1	Very high	97.2	Very high	106 Å²	106	57.9 Å²	57.9	50%	0.495	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	-56.8	-29.6	-173.5	177	179.4	-179.9	0	0	113.7	I125 W129 Y130 P131 W132	I125-E127 PolarHBondContact O-N 2.86Å; E127-W129 PolarHBondContact O-N 3.47Å; E127-W129 VanDerWaalsContact O-N 3.09Å; E127-Y130 CarbonylContact O-C 3.6Å; E127-Y130 PolarHBondContact O-N 3.29Å; E127-Y130 VanDerWaalsContact O-N 3.12Å; E127-P131 WeakPolarHBondContact O-CA 3.12Å; E127-W132 PolarHBondContact OE1-N 3.31Å
128	H	97.9	Very high	97.2	Very high	52 Å²	52	57.7 Å²	57.7	24%	0.241	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-57.9	-27.6	-177.5	59.2	-112.2	0	0	0	113.7	P126 Y130 D207 I208 T209	P126-H128 WeakPolarHBondContact CB-CE1 3.43Å; P126-H128 PolarHBondContact O-N 2.91Å; H128-Y130 PolarHBondContact O-N 3.03Å; H128-D207 HydrophobicContact CB-CB 3.62Å; H128-I208 PolarHBondContact CD2-O 2.93Å; H128-T209 WeakPolarHBondContact O-CG2 3.49Å
129	W	98.5	Very high	97.2	Very high	7 Å²	7	62.4 Å²	62.4	3%	0.027	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-57.8	-38.8	178.8	-71.8	113.9	0	0	0	112	L65 R68 T69 I125 P126 E127 I208 V210 L213 V247	L65-W129 HydrophobicContact CD1-CB 4.41Å; L65-W129 HydrophobicContact CD1-CD2 3.52Å; L65-W129 HydrophobicContact CD1-CE3 3.68Å; L65-W129 HydrophobicContact CD1-CG 3.85Å; L65-W129 HydrophobicContact CD1-CZ2 4.42Å; L65-W129 HydrophobicContact CD1-CZ3 4.23Å; R68-W129 HydrophobicContact CG-CH2 4.38Å; R68-W129 HydrophobicContact CG-CZ2 3.86Å; T69-W129 HydrophobicContact CG2-CZ2 4.47Å; I125-W129 HydrophobicContact CD1-CB 3.97Å; I125-W129 HydrophobicContact CD1-CG 3.96Å; P126-W129 VanDerWaalsContact O-CD1 3.22Å; P126-W129 PolarHBondContact O-N 3.15Å; E127-W129 PolarHBondContact O-N 3.47Å; E127-W129 VanDerWaalsContact O-N 3.09Å; W129-I208 HydrophobicContact CH2-CD1 4.02Å; W129-I208 HydrophobicContact CH2-CG1 4.34Å; W129-I208 HydrophobicContact CH2-CG2 3.97Å; W129-I208 HydrophobicContact CZ2-CG2 4.43Å; W129-I208 HydrophobicContact CZ3-CD1 4.02Å; W129-I208 HydrophobicContact CZ3-CG1 3.96Å; W129-I208 HydrophobicContact CZ3-CG2 4.08Å; W129-V210 HydrophobicContact CB-CG1 4.41Å; W129-V210 HydrophobicContact CE3-CG1 4.49Å; W129-V210 WeakPolarHBondContact O-CG1 3.47Å; W129-V210 WeakPolarHBondContact O-CG2 3.37Å; W129-V210 PolarHBondContact O-N 2.67Å; W129-L213 HydrophobicContact CE3-CD1 4.1Å; W129-L213 HydrophobicContact CE3-CG 4.47Å; W129-L213 HydrophobicContact CH2-CD1 4.29Å; W129-L213 HydrophobicContact CH2-CD2 4.25Å; W129-L213 HydrophobicContact CZ3-CD1 3.6Å; W129-L213 HydrophobicContact CZ3-CD2 3.88Å; W129-L213 HydrophobicContact CZ3-CG 3.74Å; W129-V247 HydrophobicContact CH2-CG1 4.06Å
130	Y	98.6	Very high	97.2	Very high	23 Å²	23	62.5 Å²	62.5	9%	0.09	31%	0.308	C	S	.	.	S	Bend	trans	-153.1	84.8	176.8	-170.6	-124.6	0	0	0	110.7	K117 T121 E127 H128 R137 V140 D141 V210	K117-Y130 HydrophobicContact CB-CE1 4.31Å; K117-Y130 HydrophobicContact CD-CE2 4.37Å; K117-Y130 HydrophobicContact CG-CD2 4.4Å; K117-Y130 HydrophobicContact CG-CE1 4.07Å; K117-Y130 HydrophobicContact CG-CE2 3.99Å; T121-Y130 HydrophobicContact CG2-CD1 3.77Å; T121-Y130 HydrophobicContact CG2-CE1 3.95Å; E127-Y130 CarbonylContact O-C 3.6Å; E127-Y130 PolarHBondContact O-N 3.29Å; E127-Y130 VanDerWaalsContact O-N 3.12Å; H128-Y130 PolarHBondContact O-N 3.03Å; Y130-R137 VanDerWaalsContact CE1-NH1 3.28Å; Y130-R137 HydrophobicContact CE2-CG 3.77Å; Y130-R137 PolarHBondContact O-NH2 2.86Å; Y130-V140 HydrophobicContact CD2-CB 4.45Å; Y130-V140 HydrophobicContact CD2-CG1 3.95Å; Y130-V140 HydrophobicContact CE2-CG1 4.24Å; Y130-D141 PolarHBondContact OH-OD1 2.84Å; Y130-V210 HydrophobicContact CD2-CG2 4.48Å
131	P	97.6	Very high	97.3	Very high	1 Å²	1	64.1 Å²	64.1	1%	0.006	31%	0.314	C	S	.	.			trans	-58	152.2	-167.7	-27.2	36.1	0	0	0	114.3	E127 R136 R137	E127-P131 WeakPolarHBondContact O-CA 3.12Å; P131-R136 HydrophobicContact CB-CB 3.85Å; P131-R136 HydrophobicContact CG-CB 4.1Å; P131-R137 WeakPolarHBondContact O-CB 3.34Å; P131-R137 VanDerWaalsContact O-CZ 3.29Å; P131-R137 PolarHBondContact O-NE 2.91Å; P131-R137 PolarHBondContact O-NH2 3.06Å
132	W	95.8	Very high	97.5	Very high	155 Å²	155	65.3 Å²	65.3	59%	0.587	32%	0.316	S	S	*	.	S	Bend	trans	-84	-27.3	175.3	-66.1	105	0	0	0	113.5	T121 E127 R137	T121-W132 HydrophobicContact CG2-CH2 4.18Å; E127-W132 PolarHBondContact OE1-N 3.31Å; W132-R137 VanDerWaalsContact CE3-NH2 3.28Å
133	Q	97.6	Very high	97.6	Very high	92 Å²	92	64.2 Å²	64.2	43%	0.43	31%	0.309	S	S	.	.	S	Bend	trans	-59.9	125.7	178.4	-170.3	-134.8	28.2	0	0	109.9	E135 R136 R137	Q133-E135 VanDerWaalsContact C-N 3.34Å; Q133-E135 PolarHBondContact O-N 3.28Å; Q133-R136 HydrophobicContact CB-CB 4.46Å; Q133-R136 PolarHBondContact O-N 2.99Å; Q133-R136 VanDerWaalsContact OE1-CB 3.24Å; Q133-R136 VanDerWaalsContact OE1-N 3.07Å; Q133-R137 WeakPolarHBondContact O-CB 3.22Å; Q133-R137 PolarHBondContact O-N 3.38Å
134	P	98.1	Very high	97.8	Very high	94 Å²	94	63.7 Å²	63.7	61%	0.61	31%	0.307	S	S	*	.	H	α-helix	trans	-54.5	-43.3	-170.7	-30.3	36.4	0	0	0	114.6	R137 A138	P134-R137 PolarHBondContact O-N 2.79Å; P134-A138 VanDerWaalsContact O-CB 3.27Å; P134-A138 WeakPolarHBondContact O-CB 3.33Å; P134-A138 PolarHBondContact O-N 2.75Å
135	E	98.2	Very high	98	Very high	124 Å²	124	61 Å²	61	58%	0.579	30%	0.302	S	S	*	.	H	α-helix	trans	-70.6	-44.5	-175.7	-62	81.6	177.7	0	0	111.8	Q133 A138 R139	Q133-E135 VanDerWaalsContact C-N 3.34Å; Q133-E135 PolarHBondContact O-N 3.28Å; E135-A138 PolarHBondContact O-N 3.2Å; E135-R139 PolarHBondContact O-N 2.72Å; E135-R139 VanDerWaalsContact O-N 3.17Å
136	R	97.8	Very high	98.2	Very high	89 Å²	89	62.1 Å²	62.1	34%	0.336	31%	0.306	S	S	.	.	H	α-helix	trans	-63.2	-42.4	173.5	-81.9	176.9	80.1	176.9	11.3	111.8	P131 Q133 A138 R139 V140 D207	P131-R136 HydrophobicContact CB-CB 3.85Å; P131-R136 HydrophobicContact CG-CB 4.1Å; Q133-R136 HydrophobicContact CB-CB 4.46Å; Q133-R136 PolarHBondContact O-N 2.99Å; Q133-R136 VanDerWaalsContact OE1-CB 3.24Å; Q133-R136 VanDerWaalsContact OE1-N 3.07Å; R136-A138 VanDerWaalsContact C-N 3.33Å; R136-A138 PolarHBondContact O-N 3.17Å; R136-R139 PolarHBondContact O-N 2.98Å; R136-V140 PolarHBondContact O-N 3.3Å; R136-D207 IonicContact CZ-OD2 4Å; R136-D207 IonicContact NH2-OD2 3.83Å; R136-D207 PolarHBondContact NH2-OD2 2.74Å
137	R	98.6	Very high	98.3	Very high	47 Å²	47	58.9 Å²	58.9	18%	0.177	29%	0.285	C	S	.	.	H	α-helix	trans	-60.5	-44.4	174.9	-177.3	168.6	-70.9	-150.2	-5.1	111.4	Y130 P131 W132 Q133 P134 R139 V140 D141	Y130-R137 VanDerWaalsContact CE1-NH1 3.28Å; Y130-R137 HydrophobicContact CE2-CG 3.77Å; Y130-R137 PolarHBondContact O-NH2 2.86Å; P131-R137 WeakPolarHBondContact O-CB 3.34Å; P131-R137 VanDerWaalsContact O-CZ 3.29Å; P131-R137 PolarHBondContact O-NE 2.91Å; P131-R137 PolarHBondContact O-NH2 3.06Å; W132-R137 VanDerWaalsContact CE3-NH2 3.28Å; Q133-R137 WeakPolarHBondContact O-CB 3.22Å; Q133-R137 PolarHBondContact O-N 3.38Å; P134-R137 PolarHBondContact O-N 2.79Å; R137-R139 VanDerWaalsContact C-N 3.25Å; R137-R139 PolarHBondContact O-N 3.14Å; R137-V140 WeakPolarHBondContact O-CB 3.43Å; R137-V140 PolarHBondContact O-N 3Å; R137-V140 VanDerWaalsContact O-N 3.07Å; R137-D141 PolarHBondContact O-N 3.22Å
138	A	98.7	Very high	98.3	Very high	51 Å²	51	56.5 Å²	56.5	42%	0.421	27%	0.273	S	S	.	.	H	α-helix	trans	-60.2	-34	179	0	0	0	0	0	112.5	P134 E135 R136 D141 E142	P134-A138 VanDerWaalsContact O-CB 3.27Å; P134-A138 WeakPolarHBondContact O-CB 3.33Å; P134-A138 PolarHBondContact O-N 2.75Å; E135-A138 PolarHBondContact O-N 3.2Å; R136-A138 VanDerWaalsContact C-N 3.33Å; R136-A138 PolarHBondContact O-N 3.17Å; A138-D141 PolarHBondContact O-N 3.08Å; A138-E142 VanDerWaalsContact O-CB 3.25Å; A138-E142 WeakPolarHBondContact O-CB 3.17Å; A138-E142 PolarHBondContact O-N 3.45Å
139	R	98.6	Very high	98.3	Very high	142 Å²	142	58.3 Å²	58.3	54%	0.536	29%	0.292	S	S	.	.	H	α-helix	trans	-66.7	-40.5	173.2	-68.2	-58.8	-173.4	-176.7	1.4	113.2	E135 R136 R137 E142 Y143 C204	E135-R139 PolarHBondContact O-N 2.72Å; E135-R139 VanDerWaalsContact O-N 3.17Å; R136-R139 PolarHBondContact O-N 2.98Å; R137-R139 VanDerWaalsContact C-N 3.25Å; R137-R139 PolarHBondContact O-N 3.14Å; R139-E142 WeakPolarHBondContact CD-OE2 3.44Å; R139-E142 IonicContact CZ-OE2 3.61Å; R139-E142 IonicContact NH1-OE1 3.89Å; R139-E142 IonicContact NH1-OE2 2.67Å; R139-E142 PolarHBondContact NH1-OE2 3.04Å; R139-E142 PolarHBondContact O-N 2.88Å; R139-Y143 PolarHBondContact O-N 2.79Å; R139-C204 HydrophobicContact CB-CB 4.2Å
140	V	98.8	Very high	98.3	Very high	1 Å²	1	58.9 Å²	58.9	1%	0.006	30%	0.296	C	S	.	.	H	α-helix	trans	-63.8	-46.1	173.8	179	0	0	0	0	110.1	Y130 R136 R137 E142 Y143 M144 C204 T209 V210 A211	Y130-V140 HydrophobicContact CD2-CB 4.45Å; Y130-V140 HydrophobicContact CD2-CG1 3.95Å; Y130-V140 HydrophobicContact CE2-CG1 4.24Å; R136-V140 PolarHBondContact O-N 3.3Å; R137-V140 WeakPolarHBondContact O-CB 3.43Å; R137-V140 PolarHBondContact O-N 3Å; R137-V140 VanDerWaalsContact O-N 3.07Å; V140-E142 VanDerWaalsContact C-N 3.34Å; V140-E142 PolarHBondContact O-N 2.82Å; V140-Y143 PolarHBondContact O-N 2.98Å; V140-M144 HydrophobicContact CG1-CG 4.32Å; V140-M144 HydrophobicContact CG1-SD 3.66Å; V140-M144 WeakPolarHBondContact O-CB 3.34Å; V140-M144 VanDerWaalsContact O-CG 3.25Å; V140-M144 WeakPolarHBondContact O-CG 3.48Å; V140-M144 PolarHBondContact O-N 3.24Å; V140-C204 HydrophobicContact CG2-CB 3.91Å; V140-T209 HydrophobicContact CG2-CG2 3.86Å; V140-V210 HydrophobicContact CG1-CG2 3.69Å; V140-A211 HydrophobicContact CG1-CB 4.28Å
141	D	98.8	Very high	98.3	Very high	49 Å²	49	57.8 Å²	57.8	26%	0.262	29%	0.291	S	S	.	.	H	α-helix	trans	-62.8	-37.9	177.5	-73.9	-32.3	0	0	0	113.1	K117 Y130 R137 A138 M144 A145	K117-D141 WeakPolarHBondContact CE-OD1 3.39Å; K117-D141 IonicContact NZ-OD1 3.47Å; K117-D141 PolarHBondContact NZ-OD1 3.33Å; Y130-D141 PolarHBondContact OH-OD1 2.84Å; R137-D141 PolarHBondContact O-N 3.22Å; A138-D141 PolarHBondContact O-N 3.08Å; D141-M144 CarbonylContact O-C 3.56Å; D141-M144 PolarHBondContact O-N 2.65Å; D141-A145 WeakPolarHBondContact O-CB 3.42Å; D141-A145 PolarHBondContact O-N 3.43Å
142	E	98.8	Very high	98.4	Very high	85 Å²	85	62.4 Å²	62.4	40%	0.397	31%	0.309	S	S	.	.	H	α-helix	trans	-59.8	-47.3	176.2	-178.2	177.6	-144.7	0	0	111	A138 R139 V140 A145 W146 F196	A138-E142 VanDerWaalsContact O-CB 3.25Å; A138-E142 WeakPolarHBondContact O-CB 3.17Å; A138-E142 PolarHBondContact O-N 3.45Å; R139-E142 WeakPolarHBondContact CD-OE2 3.44Å; R139-E142 IonicContact CZ-OE2 3.61Å; R139-E142 IonicContact NH1-OE1 3.89Å; R139-E142 IonicContact NH1-OE2 2.67Å; R139-E142 PolarHBondContact NH1-OE2 3.04Å; R139-E142 PolarHBondContact O-N 2.88Å; V140-E142 VanDerWaalsContact C-N 3.34Å; V140-E142 PolarHBondContact O-N 2.82Å; E142-A145 PolarHBondContact O-N 3.44Å; E142-W146 VanDerWaalsContact O-CB 3.23Å; E142-W146 WeakPolarHBondContact O-CB 2.91Å; E142-W146 PolarHBondContact O-N 3.44Å; E142-F196 HydrophobicContact CG-CE1 4.12Å
143	Y	98.8	Very high	98.5	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-65	-46.3	175	179.5	-91.8	0	0	0	112.1	R139 V140 A145 W146 H147 T151 L192 F196 L203 A211 L214 A215 E218	R139-Y143 PolarHBondContact O-N 2.79Å; V140-Y143 PolarHBondContact O-N 2.98Å; Y143-A145 PolarHBondContact O-N 3.34Å; Y143-W146 HydrophobicContact CD2-CE3 4.2Å; Y143-W146 HydrophobicContact CE2-CE3 4Å; Y143-W146 HydrophobicContact CE2-CZ3 4.03Å; Y143-W146 PolarHBondContact O-N 3.42Å; Y143-H147 HydrophobicContact CD1-CB 4.4Å; Y143-H147 HydrophobicContact CE1-CB 3.77Å; Y143-H147 HydrophobicContact CE2-CB 4.26Å; Y143-H147 WeakPolarHBondContact O-CB 3.3Å; Y143-H147 PolarHBondContact O-CD2 3.42Å; Y143-H147 PolarHBondContact O-N 2.83Å; Y143-T151 PolarHBondContact OH-OG1 2.8Å; Y143-L192 HydrophobicContact CD2-CD1 4.31Å; Y143-L192 HydrophobicContact CE2-CD1 3.59Å; Y143-F196 AromaticContact CD2-CD1 3.93Å; Y143-F196 HydrophobicContact CD2-CD1 3.93Å; Y143-F196 HydrophobicContact CD2-CD2 4.3Å; Y143-F196 HydrophobicContact CD2-CE1 4.02Å; Y143-F196 HydrophobicContact CD2-CE2 4.38Å; Y143-F196 HydrophobicContact CD2-CG 4.07Å; Y143-F196 HydrophobicContact CD2-CZ 4.25Å; Y143-F196 HydrophobicContact CG-CD1 4.46Å; Y143-F196 HydrophobicContact CG-CE1 4.44Å; Y143-L203 HydrophobicContact CD2-CD1 4.07Å; Y143-L203 HydrophobicContact CE1-CD1 4.41Å; Y143-L203 HydrophobicContact CE2-CD1 3.81Å; Y143-L203 HydrophobicContact CG-CD1 4.48Å; Y143-A211 HydrophobicContact CD1-CB 3.38Å; Y143-A211 HydrophobicContact CE1-CB 4.19Å; Y143-A211 WeakPolarHBondContact CE1-O 3.43Å; Y143-A211 HydrophobicContact CG-CB 3.84Å; Y143-L214 HydrophobicContact CE1-CB 4.19Å; Y143-A215 HydrophobicContact CE1-CB 4.09Å; Y143-A215 HydrophobicContact CE2-CB 4.34Å; Y143-A215 WeakPolarHBondContact OH-CA 3.46Å; Y143-A215 WeakPolarHBondContact OH-CB 3.36Å; Y143-E218 PolarHBondContact OH-OE2 2.96Å
144	M	98.8	Very high	98.6	Very high	4 Å²	4	54.6 Å²	54.6	2%	0.02	28%	0.282	C	S	.	.	H	α-helix	trans	-64	-21.9	178.8	-72.1	-178.8	82.9	0	0	113.2	D113 K117 V140 D141 H147 H148 V210 L214	D113-M144 VanDerWaalsContact CA-CE 3.41Å; D113-M144 HydrophobicContact CB-CE 3.55Å; D113-M144 WeakPolarHBondContact O-CE 3.35Å; D113-M144 WeakPolarHBondContact OD2-CB 3.29Å; D113-M144 WeakPolarHBondContact OD2-CE 3.49Å; D113-M144 WeakPolarHBondContact OD2-CG 3.47Å; K117-M144 HydrophobicContact CD-CE 4.19Å; K117-M144 WeakPolarHBondContact CE-SD 3.19Å; K117-M144 HydrophobicContact CG-CE 4.04Å; K117-M144 HydrophobicContact CG-SD 4.44Å; V140-M144 HydrophobicContact CG1-CG 4.32Å; V140-M144 HydrophobicContact CG1-SD 3.66Å; V140-M144 WeakPolarHBondContact O-CB 3.34Å; V140-M144 VanDerWaalsContact O-CG 3.25Å; V140-M144 WeakPolarHBondContact O-CG 3.48Å; V140-M144 PolarHBondContact O-N 3.24Å; D141-M144 CarbonylContact O-C 3.56Å; D141-M144 PolarHBondContact O-N 2.65Å; M144-H147 VanDerWaalsContact CA-CD2 3.48Å; M144-H147 WeakPolarHBondContact CA-CD2 3.22Å; M144-H147 PolarHBondContact O-CD2 3.44Å; M144-H147 PolarHBondContact O-NE2 3.28Å; M144-H148 PolarHBondContact O-CD2 3.08Å; M144-H148 VanDerWaalsContact O-CD2 3.23Å; M144-V210 HydrophobicContact CE-CG2 4.16Å; M144-V210 HydrophobicContact SD-CG2 3.62Å; M144-L214 HydrophobicContact CE-CD1 3.97Å; M144-L214 HydrophobicContact CG-CD1 3.93Å
145	A	98.8	Very high	98.6	Very high	72 Å²	72	50.1 Å²	50.1	60%	0.595	25%	0.253	S	S	*	.	H	α-helix	trans	-81.6	-44.8	167.1	0	0	0	0	0	111.3	D141 E142 Y143	D141-A145 WeakPolarHBondContact O-CB 3.42Å; D141-A145 PolarHBondContact O-N 3.43Å; E142-A145 PolarHBondContact O-N 3.44Å; Y143-A145 PolarHBondContact O-N 3.34Å
146	W	98.8	Very high	98.6	Very high	43 Å²	43	45.3 Å²	45.3	16%	0.163	24%	0.235	C	C	.	.	H	α-helix	trans	-68.2	-42.3	-172.6	178.8	91.9	0	0	0	113.6	E142 Y143 H148 S149 N150 T151 T188 R191 L192 F196	E142-W146 VanDerWaalsContact O-CB 3.23Å; E142-W146 WeakPolarHBondContact O-CB 2.91Å; E142-W146 PolarHBondContact O-N 3.44Å; Y143-W146 HydrophobicContact CD2-CE3 4.2Å; Y143-W146 HydrophobicContact CE2-CE3 4Å; Y143-W146 HydrophobicContact CE2-CZ3 4.03Å; Y143-W146 PolarHBondContact O-N 3.42Å; W146-H148 PolarHBondContact O-N 3.46Å; W146-H148 VanDerWaalsContact O-N 3.13Å; W146-S149 PolarHBondContact O-N 3.33Å; W146-N150 HydrophobicContact CD2-CB 3.83Å; W146-N150 VanDerWaalsContact CE2-ND2 3.3Å; W146-N150 HydrophobicContact CE3-CB 3.85Å; W146-N150 HydrophobicContact CH2-CB 3.49Å; W146-N150 VanDerWaalsContact CH2-CB 3.49Å; W146-N150 HydrophobicContact CZ2-CB 3.43Å; W146-N150 VanDerWaalsContact CZ2-CB 3.43Å; W146-N150 VanDerWaalsContact CZ2-CG 3.42Å; W146-N150 HydrophobicContact CZ3-CB 3.69Å; W146-N150 PolarHBondContact NE1-ND2 3.41Å; W146-N150 PolarHBondContact O-ND2 3.48Å; W146-T151 HydrophobicContact CH2-CG2 4.03Å; W146-T151 HydrophobicContact CZ3-CG2 3.63Å; W146-T188 HydrophobicContact CH2-CG2 3.8Å; W146-T188 HydrophobicContact CZ2-CG2 4.48Å; W146-R191 HydrophobicContact CH2-CB 4.37Å; W146-R191 HydrophobicContact CZ2-CB 3.81Å; W146-L192 HydrophobicContact CZ3-CD1 4.33Å; W146-F196 HydrophobicContact CB-CZ 3.89Å; W146-F196 AromaticContact CD2-CE2 3.57Å; W146-F196 HydrophobicContact CD2-CE2 3.57Å; W146-F196 AromaticContact CD2-CZ 3.8Å; W146-F196 HydrophobicContact CD2-CZ 3.8Å; W146-F196 AromaticContact CE2-CE2 3.84Å; W146-F196 AromaticContact CE3-CE2 3.7Å; W146-F196 HydrophobicContact CE3-CE2 3.7Å; W146-F196 HydrophobicContact CE3-CZ 4.06Å; W146-F196 AromaticContact CG-CE2 3.98Å; W146-F196 HydrophobicContact CG-CE2 3.98Å; W146-F196 AromaticContact CG-CZ 3.72Å; W146-F196 HydrophobicContact CG-CZ 3.72Å; W146-F196 HydrophobicContact CH2-CE2 4.32Å; W146-F196 HydrophobicContact CZ2-CE2 4.23Å; W146-F196 HydrophobicContact CZ3-CE2 4.07Å
147	H	98.8	Very high	98.6	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-60.4	-29	-173.1	80.6	115.9	0	0	0	112.8	D113 Y143 M144 S149 N150 T151 R152 E218	D113-H147 IonicContact OD1-CE1 3.7Å; D113-H147 PolarHBondContact OD1-CE1 3.16Å; D113-H147 IonicContact OD1-NE2 3.57Å; D113-H147 PolarHBondContact OD1-NE2 3.12Å; D113-H147 IonicContact OD2-CD2 4Å; D113-H147 IonicContact OD2-CE1 3.9Å; D113-H147 IonicContact OD2-NE2 3.28Å; D113-H147 PolarHBondContact OD2-NE2 2.71Å; Y143-H147 HydrophobicContact CD1-CB 4.4Å; Y143-H147 HydrophobicContact CE1-CB 3.77Å; Y143-H147 HydrophobicContact CE2-CB 4.26Å; Y143-H147 WeakPolarHBondContact O-CB 3.3Å; Y143-H147 PolarHBondContact O-CD2 3.42Å; Y143-H147 PolarHBondContact O-N 2.83Å; M144-H147 VanDerWaalsContact CA-CD2 3.48Å; M144-H147 WeakPolarHBondContact CA-CD2 3.22Å; M144-H147 PolarHBondContact O-CD2 3.44Å; M144-H147 PolarHBondContact O-NE2 3.28Å; H147-S149 PolarHBondContact O-N 3.37Å; H147-S149 VanDerWaalsContact O-N 3.11Å; H147-N150 PolarHBondContact O-N 3.43Å; H147-T151 VanDerWaalsContact CB-OG1 3.31Å; H147-T151 WeakPolarHBondContact CB-OG1 3.49Å; H147-R152 VanDerWaalsContact O-CB 3.31Å; H147-R152 WeakPolarHBondContact O-CB 3.32Å; H147-R152 PolarHBondContact O-N 2.88Å; H147-E218 IonicContact CE1-OE1 3.44Å; H147-E218 IonicContact CG-OE1 3.36Å; H147-E218 IonicContact ND1-OE1 2.82Å; H147-E218 PolarHBondContact ND1-OE1 3.02Å; H147-E218 IonicContact ND1-OE2 3.61Å
148	H	98.5	Very high	98.6	Very high	55 Å²	55	42.7 Å²	42.7	26%	0.255	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-57.8	-29.5	-178.5	-79.8	-54.7	0	0	0	113.9	D113 M144 W146 R152 P153	D113-H148 IonicContact OD1-CE1 2.65Å; D113-H148 IonicContact OD1-NE2 2.7Å; D113-H148 IonicContact OD2-NE2 3.56Å; M144-H148 PolarHBondContact O-CD2 3.08Å; M144-H148 VanDerWaalsContact O-CD2 3.23Å; W146-H148 PolarHBondContact O-N 3.46Å; W146-H148 VanDerWaalsContact O-N 3.13Å; H148-R152 PolarHBondContact O-NE 3.18Å; H148-R152 PolarHBondContact O-NH2 3.42Å; H148-P153 WeakPolarHBondContact O-CD 3.37Å
149	S	98.3	Very high	98.6	Very high	91 Å²	91	40.6 Å²	40.6	64%	0.636	21%	0.209	S	C	*	.	G	3₁₀ helix	trans	-112	6.5	178.3	-67.5	0	0	0	0	113.6	W146 H147	W146-S149 PolarHBondContact O-N 3.33Å; H147-S149 PolarHBondContact O-N 3.37Å; H147-S149 VanDerWaalsContact O-N 3.11Å
150	N	98.7	Very high	98.5	Very high	19 Å²	19	37.1 Å²	37.1	10%	0.102	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-129.8	-100.5	-174.3	-66.8	-83.7	0	0	0	111.4	W146 H147 R152 P153 H154 T188	W146-N150 HydrophobicContact CD2-CB 3.83Å; W146-N150 VanDerWaalsContact CE2-ND2 3.3Å; W146-N150 HydrophobicContact CE3-CB 3.85Å; W146-N150 HydrophobicContact CH2-CB 3.49Å; W146-N150 VanDerWaalsContact CH2-CB 3.49Å; W146-N150 HydrophobicContact CZ2-CB 3.43Å; W146-N150 VanDerWaalsContact CZ2-CB 3.43Å; W146-N150 VanDerWaalsContact CZ2-CG 3.42Å; W146-N150 HydrophobicContact CZ3-CB 3.69Å; W146-N150 PolarHBondContact NE1-ND2 3.41Å; W146-N150 PolarHBondContact O-ND2 3.48Å; H147-N150 PolarHBondContact O-N 3.43Å; N150-R152 VanDerWaalsContact C-N 3.31Å; N150-R152 PolarHBondContact O-N 3.32Å; N150-P153 WeakPolarHBondContact O-CD 3.48Å; N150-P153 WeakPolarHBondContact O-CG 3.33Å; N150-H154 WeakPolarHBondContact O-CB 3.47Å; N150-H154 VanDerWaalsContact O-CG 3.26Å; N150-H154 PolarHBondContact O-N 3.48Å; N150-H154 VanDerWaalsContact O-N 3.08Å; N150-H154 PolarHBondContact O-ND1 3.28Å; N150-H154 VanDerWaalsContact O-ND1 3.11Å; N150-T188 HydrophobicContact CB-CG2 3.96Å
151	T	98.6	Very high	98.4	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-54	-45.2	-173.6	43	0	0	0	0	112.5	Y143 W146 H147 A155 T188 L192 E218	Y143-T151 PolarHBondContact OH-OG1 2.8Å; W146-T151 HydrophobicContact CH2-CG2 4.03Å; W146-T151 HydrophobicContact CZ3-CG2 3.63Å; H147-T151 VanDerWaalsContact CB-OG1 3.31Å; H147-T151 WeakPolarHBondContact CB-OG1 3.49Å; T151-A155 WeakPolarHBondContact O-CB 3.43Å; T151-A155 PolarHBondContact O-N 3.15Å; T151-T188 HydrophobicContact CG2-CG2 3.64Å; T151-L192 HydrophobicContact CG2-CD1 4.37Å; T151-L192 HydrophobicContact CG2-CD2 4.25Å; T151-E218 WeakPolarHBondContact CB-OE2 3.3Å; T151-E218 PolarHBondContact OG1-OE2 3.27Å
152	R	98.6	Very high	98.2	Very high	97 Å²	97	35.7 Å²	35.7	37%	0.366	19%	0.192	S	C	.	.	H	α-helix	trans	-57.9	-63.9	-179.4	-172.3	-172.3	66	104.3	1.3	113	Q57 H147 H148 N150 H154 A156 E218	Q57-R152 PolarHBondContact OE1-O 2.96Å; H147-R152 VanDerWaalsContact O-CB 3.31Å; H147-R152 WeakPolarHBondContact O-CB 3.32Å; H147-R152 PolarHBondContact O-N 2.88Å; H148-R152 PolarHBondContact O-NE 3.18Å; H148-R152 PolarHBondContact O-NH2 3.42Å; N150-R152 VanDerWaalsContact C-N 3.31Å; N150-R152 PolarHBondContact O-N 3.32Å; R152-H154 PolarHBondContact O-N 3.19Å; R152-A156 WeakPolarHBondContact O-CB 3.47Å; R152-A156 PolarHBondContact O-N 3.2Å; R152-E218 HydrophobicContact CB-CG 4.12Å; R152-E218 WeakPolarHBondContact CB-OE1 3.41Å; R152-E218 HydrophobicContact CG-CG 4.4Å; R152-E218 PolarHBondContact N-OE2 3.31Å
153	P	98.6	Very high	98	Very high	44 Å²	44	31.8 Å²	31.8	29%	0.286	17%	0.174	S	C	.	.	H	α-helix	trans	-65.5	-36.8	-178.5	26.1	-35.7	0	0	0	112.9	H148 N150 K157	H148-P153 WeakPolarHBondContact O-CD 3.37Å; N150-P153 WeakPolarHBondContact O-CD 3.48Å; N150-P153 WeakPolarHBondContact O-CG 3.33Å; P153-K157 VanDerWaalsContact O-CB 3.23Å; P153-K157 WeakPolarHBondContact O-CB 3.34Å; P153-K157 PolarHBondContact O-N 2.9Å
154	H	98.8	Very high	97.7	Very high	39 Å²	39	33.7 Å²	33.7	18%	0.181	18%	0.184	C	C	.	.	H	α-helix	trans	-70.6	-43.8	-177.1	-62.2	147.3	0	0	0	112.3	N150 R152 K157 V158 L185 T188	N150-H154 WeakPolarHBondContact O-CB 3.47Å; N150-H154 VanDerWaalsContact O-CG 3.26Å; N150-H154 PolarHBondContact O-N 3.48Å; N150-H154 VanDerWaalsContact O-N 3.08Å; N150-H154 PolarHBondContact O-ND1 3.28Å; N150-H154 VanDerWaalsContact O-ND1 3.11Å; R152-H154 PolarHBondContact O-N 3.19Å; H154-K157 PolarHBondContact O-N 3.14Å; H154-V158 PolarHBondContact O-N 2.89Å; H154-L185 HydrophobicContact CB-CB 4.16Å; H154-L185 HydrophobicContact CB-CD1 3.99Å; H154-T188 PolarHBondContact CE1-OG1 3.49Å; H154-T188 PolarHBondContact ND1-OG1 2.77Å
155	A	98.6	Very high	97.5	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-67.8	-38.4	174.9	0	0	0	0	0	111.9	T151 F159 L185 E218 L219 P222	T151-A155 WeakPolarHBondContact O-CB 3.43Å; T151-A155 PolarHBondContact O-N 3.15Å; A155-F159 PolarHBondContact O-N 3.33Å; A155-L185 HydrophobicContact CB-CD1 4.3Å; A155-E218 HydrophobicContact CB-CB 4.49Å; A155-E218 VanDerWaalsContact CB-O 3.22Å; A155-E218 WeakPolarHBondContact CB-O 3.45Å; A155-L219 HydrophobicContact CB-CD2 4.5Å; A155-P222 HydrophobicContact CB-CG 4.32Å
156	A	98.2	Very high	97.2	Very high	23 Å²	23	33.7 Å²	33.7	19%	0.19	18%	0.175	C	C	.	.	H	α-helix	trans	-60.8	-44.1	173.7	0	0	0	0	0	112.1	Q57 R152 V158 F159 I160	Q57-A156 VanDerWaalsContact NE2-CA 3.33Å; R152-A156 WeakPolarHBondContact O-CB 3.47Å; R152-A156 PolarHBondContact O-N 3.2Å; A156-V158 PolarHBondContact O-N 2.87Å; A156-F159 PolarHBondContact O-N 2.94Å; A156-I160 HydrophobicContact CB-CD1 4.4Å; A156-I160 WeakPolarHBondContact O-CB 3.4Å; A156-I160 WeakPolarHBondContact O-CG1 3.4Å; A156-I160 PolarHBondContact O-N 2.96Å
157	K	98.5	Very high	96.8	Very high	82 Å²	82	34.7 Å²	34.7	36%	0.357	19%	0.192	S	C	.	.	H	α-helix	trans	-60.7	-43.2	-178	-173.8	-179.1	176.5	-172.7	0	111.9	P153 H154 I160 L161 A181 D184	P153-K157 VanDerWaalsContact O-CB 3.23Å; P153-K157 WeakPolarHBondContact O-CB 3.34Å; P153-K157 PolarHBondContact O-N 2.9Å; H154-K157 PolarHBondContact O-N 3.14Å; K157-I160 PolarHBondContact O-N 2.84Å; K157-L161 HydrophobicContact CG-CD1 3.94Å; K157-L161 WeakPolarHBondContact O-CB 3.28Å; K157-L161 VanDerWaalsContact O-CG 3.28Å; K157-L161 WeakPolarHBondContact O-CG 3.31Å; K157-L161 PolarHBondContact O-N 2.8Å; K157-A181 HydrophobicContact CB-CB 4.42Å; K157-A181 HydrophobicContact CD-CB 3.79Å; K157-A181 HydrophobicContact CG-CB 3.77Å; K157-D184 IonicContact NZ-OD2 2.81Å; K157-D184 PolarHBondContact NZ-OD2 3.07Å
158	V	98.4	Very high	96.3	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-58.7	-51.2	174.7	173.6	0	0	0	0	110.6	H154 A156 I160 L161 E162 L178 A181 L182 L185 P222 R227	H154-V158 PolarHBondContact O-N 2.89Å; A156-V158 PolarHBondContact O-N 2.87Å; V158-I160 VanDerWaalsContact C-N 3.35Å; V158-I160 PolarHBondContact O-N 2.81Å; V158-L161 PolarHBondContact O-N 3.47Å; V158-E162 VanDerWaalsContact O-CB 3.22Å; V158-E162 WeakPolarHBondContact O-CB 3.11Å; V158-E162 PolarHBondContact O-N 3.28Å; V158-L178 HydrophobicContact CG1-CD1 4.11Å; V158-A181 HydrophobicContact CG2-CB 4.04Å; V158-L182 HydrophobicContact CG1-CD2 3.97Å; V158-L182 HydrophobicContact CG2-CD2 3.97Å; V158-L182 HydrophobicContact CG2-CG 4.36Å; V158-L185 HydrophobicContact CG2-CB 4.44Å; V158-L185 HydrophobicContact CG2-CD2 3.83Å; V158-P222 HydrophobicContact CB-CB 4.42Å; V158-P222 HydrophobicContact CG1-CB 3.9Å; V158-R227 HydrophobicContact CG1-CG 4.24Å
159	F	97.5	Very high	96	Very high	7 Å²	7	44 Å²	44	3%	0.031	24%	0.239	C	C	.	.	H	α-helix	trans	-60.8	-41.8	177.5	175	-96.2	0	0	0	113.1	L55 A155 A156 V163 L164 Q221 L258	L55-F159 HydrophobicContact CD1-CE1 4.31Å; L55-F159 HydrophobicContact CD1-CZ 3.84Å; A155-F159 PolarHBondContact O-N 3.33Å; A156-F159 PolarHBondContact O-N 2.94Å; F159-V163 HydrophobicContact CD2-CB 3.9Å; F159-V163 HydrophobicContact CD2-CG1 4.31Å; F159-V163 HydrophobicContact CD2-CG2 3.91Å; F159-V163 HydrophobicContact CE2-CB 3.82Å; F159-V163 HydrophobicContact CE2-CG1 3.72Å; F159-V163 HydrophobicContact CE2-CG2 4.15Å; F159-V163 HydrophobicContact CG-CB 4.43Å; F159-V163 HydrophobicContact CZ-CB 4.28Å; F159-V163 HydrophobicContact CZ-CG1 4.06Å; F159-V163 WeakPolarHBondContact O-CA 3.49Å; F159-V163 WeakPolarHBondContact O-CB 3.14Å; F159-V163 PolarHBondContact O-N 2.71Å; F159-L164 HydrophobicContact CD1-CB 4.44Å; F159-L164 HydrophobicContact CE1-CB 4.11Å; F159-L164 PolarHBondContact O-N 2.88Å; F159-L164 VanDerWaalsContact O-N 3.08Å; F159-Q221 HydrophobicContact CB-CB 4.36Å; F159-Q221 HydrophobicContact CB-CG 3.36Å; F159-Q221 HydrophobicContact CD1-CG 3.84Å; F159-Q221 HydrophobicContact CD2-CG 3.83Å; F159-Q221 WeakPolarHBondContact CD2-O 3.16Å; F159-Q221 HydrophobicContact CG-CG 3.39Å; F159-L258 HydrophobicContact CE2-CD2 4.15Å; F159-L258 HydrophobicContact CZ-CD2 4.42Å
160	I	96.8	Very high	95.8	Very high	68 Å²	68	43.1 Å²	43.1	35%	0.349	24%	0.244	S	C	.	.	I	π-helix	trans	-62.1	-48.5	-179.7	-72.5	164.5	0	0	0	110.5	A156 K157 V158 L164 L165	A156-I160 HydrophobicContact CB-CD1 4.4Å; A156-I160 WeakPolarHBondContact O-CB 3.4Å; A156-I160 WeakPolarHBondContact O-CG1 3.4Å; A156-I160 PolarHBondContact O-N 2.96Å; K157-I160 PolarHBondContact O-N 2.84Å; V158-I160 VanDerWaalsContact C-N 3.35Å; V158-I160 PolarHBondContact O-N 2.81Å; I160-L164 HydrophobicContact CG1-CD2 4.24Å; I160-L164 PolarHBondContact O-N 3.4Å; I160-L165 HydrophobicContact CG2-CD1 3.81Å; I160-L165 HydrophobicContact CG2-CG 3.82Å; I160-L165 WeakPolarHBondContact O-CB 3.19Å; I160-L165 WeakPolarHBondContact O-CG 3.41Å; I160-L165 PolarHBondContact O-N 2.85Å
161	L	97.1	Very high	95.5	Very high	11 Å²	11	45.7 Å²	45.7	6%	0.058	26%	0.26	C	S	.	.	I	π-helix	trans	-71.1	-39.6	-177	-68.4	171.8	0	0	0	112.5	K157 V158 L165 P166 R177 L178 A181	K157-L161 HydrophobicContact CG-CD1 3.94Å; K157-L161 WeakPolarHBondContact O-CB 3.28Å; K157-L161 VanDerWaalsContact O-CG 3.28Å; K157-L161 WeakPolarHBondContact O-CG 3.31Å; K157-L161 PolarHBondContact O-N 2.8Å; V158-L161 PolarHBondContact O-N 3.47Å; L161-L165 HydrophobicContact CD2-CD1 4.12Å; L161-P166 VanDerWaalsContact O-CD 3.27Å; L161-P166 WeakPolarHBondContact O-CD 3.31Å; L161-P166 WeakPolarHBondContact O-CG 3.23Å; L161-R177 HydrophobicContact CD1-CB 4.08Å; L161-R177 HydrophobicContact CD2-CB 4.22Å; L161-L178 HydrophobicContact CB-CD1 4.49Å; L161-A181 HydrophobicContact CD1-CB 3.8Å
162	E	95.1	Very high	95.2	Very high	9 Å²	9	51.3 Å²	51.3	4%	0.042	30%	0.296	C	S	.	.	I	π-helix	trans	-87.3	-27.6	-173.5	-158.7	-167.5	145.7	0	0	113.1	V158 L178 R227 R265	V158-E162 VanDerWaalsContact O-CB 3.22Å; V158-E162 WeakPolarHBondContact O-CB 3.11Å; V158-E162 PolarHBondContact O-N 3.28Å; E162-L178 HydrophobicContact CB-CD1 4.12Å; E162-L178 HydrophobicContact CB-CD2 4.28Å; E162-L178 HydrophobicContact CG-CD2 3.92Å; E162-R227 VanDerWaalsContact CD-NH2 3.32Å; E162-R227 IonicContact OE1-CZ 3.07Å; E162-R227 IonicContact OE1-NE 3.71Å; E162-R227 PolarHBondContact OE1-NE 3Å; E162-R227 IonicContact OE1-NH2 3.97Å; E162-R227 PolarHBondContact OE1-NH2 3.17Å; E162-R227 IonicContact OE2-CZ 3.61Å; E162-R227 IonicContact OE2-NE 3.46Å; E162-R227 PolarHBondContact OE2-NE 3.21Å; E162-R227 IonicContact OE2-NH2 3.44Å; E162-R265 PolarHBondContact O-NH2 3.17Å; E162-R265 IonicContact OE1-NH1 3.72Å; E162-R265 IonicContact OE1-NH2 3.29Å; E162-R265 PolarHBondContact OE1-NH2 3.08Å
163	V	94	Very high	95.1	Very high	4 Å²	4	49.1 Å²	49.1	2%	0.024	29%	0.294	C	S	.	.	I	π-helix	trans	-123.7	-58	-168.9	-172.9	0	0	0	0	112.2	F159 A167 V261	F159-V163 HydrophobicContact CD2-CB 3.9Å; F159-V163 HydrophobicContact CD2-CG1 4.31Å; F159-V163 HydrophobicContact CD2-CG2 3.91Å; F159-V163 HydrophobicContact CE2-CB 3.82Å; F159-V163 HydrophobicContact CE2-CG1 3.72Å; F159-V163 HydrophobicContact CE2-CG2 4.15Å; F159-V163 HydrophobicContact CG-CB 4.43Å; F159-V163 HydrophobicContact CZ-CB 4.28Å; F159-V163 HydrophobicContact CZ-CG1 4.06Å; F159-V163 WeakPolarHBondContact O-CA 3.49Å; F159-V163 WeakPolarHBondContact O-CB 3.14Å; F159-V163 PolarHBondContact O-N 2.71Å; V163-A167 WeakPolarHBondContact O-CB 3.48Å; V163-A167 PolarHBondContact O-N 3.45Å; V163-V261 HydrophobicContact CG1-CG1 3.46Å; V163-V261 VanDerWaalsContact CG1-CG1 3.46Å
164	L	92.6	Very high	95	Very high	39 Å²	39	50.4 Å²	50.4	20%	0.204	30%	0.298	C	S	.	.	I	π-helix	trans	-70.1	-52.1	-168.3	-170.8	61.5	0	0	0	112.1	F159 I160 A167 Q168	F159-L164 HydrophobicContact CD1-CB 4.44Å; F159-L164 HydrophobicContact CE1-CB 4.11Å; F159-L164 PolarHBondContact O-N 2.88Å; F159-L164 VanDerWaalsContact O-N 3.08Å; I160-L164 HydrophobicContact CG1-CD2 4.24Å; I160-L164 PolarHBondContact O-N 3.4Å; L164-A167 PolarHBondContact O-N 2.86Å; L164-Q168 VanDerWaalsContact O-CB 3.3Å; L164-Q168 WeakPolarHBondContact O-CB 3.42Å; L164-Q168 PolarHBondContact O-N 3.42Å
165	L	93.8	Very high	94.9	Very high	53 Å²	53	53.5 Å²	53.5	28%	0.277	31%	0.313	S	S	.	.	H	α-helix	trans	-64.5	-48.5	-177.7	-71.9	173.9	0	0	0	112.5	I160 L161 A167 Q168 L169	I160-L165 HydrophobicContact CG2-CD1 3.81Å; I160-L165 HydrophobicContact CG2-CG 3.82Å; I160-L165 WeakPolarHBondContact O-CB 3.19Å; I160-L165 WeakPolarHBondContact O-CG 3.41Å; I160-L165 PolarHBondContact O-N 2.85Å; L161-L165 HydrophobicContact CD2-CD1 4.12Å; L165-A167 VanDerWaalsContact C-N 3.32Å; L165-A167 PolarHBondContact O-N 2.92Å; L165-Q168 PolarHBondContact O-N 2.97Å; L165-L169 HydrophobicContact CD2-CD1 4.22Å; L165-L169 WeakPolarHBondContact O-CB 3.39Å; L165-L169 PolarHBondContact O-N 3.39Å
166	P	93.1	Very high	94.9	Very high	24 Å²	24	63 Å²	63	16%	0.156	35%	0.349	C	S	.	.	H	α-helix	trans	-57.9	-43.4	175.3	-27.4	36.5	0	0	0	112.7	L161 Q168 G170 V171 V173	L161-P166 VanDerWaalsContact O-CD 3.27Å; L161-P166 WeakPolarHBondContact O-CD 3.31Å; L161-P166 WeakPolarHBondContact O-CG 3.23Å; P166-Q168 VanDerWaalsContact C-N 3.33Å; P166-Q168 PolarHBondContact O-N 3.1Å; P166-G170 VanDerWaalsContact O-CA 3.31Å; P166-G170 WeakPolarHBondContact O-CA 3.25Å; P166-G170 PolarHBondContact O-N 2.84Å; P166-V171 WeakPolarHBondContact CA-O 3.47Å; P166-V171 VanDerWaalsContact CB-O 3.31Å; P166-V171 WeakPolarHBondContact CB-O 3.23Å; P166-V173 HydrophobicContact CG-CG2 3.78Å
167	A	90.2	Very high	94.9	Very high	63 Å²	63	68.1 Å²	68.1	52%	0.521	36%	0.363	S	S	.	.	H	α-helix	trans	-68.7	-30.9	-179.3	0	0	0	0	0	113.3	V163 L164 L165	V163-A167 WeakPolarHBondContact O-CB 3.48Å; V163-A167 PolarHBondContact O-N 3.45Å; L164-A167 PolarHBondContact O-N 2.86Å; L165-A167 VanDerWaalsContact C-N 3.32Å; L165-A167 PolarHBondContact O-N 2.92Å
168	Q	89.1	Confident	94.8	Very high	142 Å²	142	64.4 Å²	64.4	66%	0.664	35%	0.347	S	S	*	.	H	α-helix	trans	-85.5	-39.2	-178.4	-176.9	175.6	-20.2	0	0	112.7	L164 L165 P166	L164-Q168 VanDerWaalsContact O-CB 3.3Å; L164-Q168 WeakPolarHBondContact O-CB 3.42Å; L164-Q168 PolarHBondContact O-N 3.42Å; L165-Q168 PolarHBondContact O-N 2.97Å; P166-Q168 VanDerWaalsContact C-N 3.33Å; P166-Q168 PolarHBondContact O-N 3.1Å
169	L	92.3	Very high	94.8	Very high	110 Å²	110	68.2 Å²	68.2	58%	0.576	37%	0.367	S	S	*	.	H	α-helix	trans	-99.2	-11.8	-174.4	-58.9	178.4	0	0	0	113.3	L165 V171	L165-L169 HydrophobicContact CD2-CD1 4.22Å; L165-L169 WeakPolarHBondContact O-CB 3.39Å; L165-L169 PolarHBondContact O-N 3.39Å; L169-V171 HydrophobicContact CB-CG1 3.99Å; L169-V171 HydrophobicContact CB-CG2 3.94Å; L169-V171 HydrophobicContact CD1-CG2 4.48Å; L169-V171 PolarHBondContact O-N 2.97Å
170	G	92.8	Very high	94.9	Very high	72 Å²	72	76 Å²	76	74%	0.742	40%	0.397	S	S	*	.			trans	68.4	22.6	-175.8	0	0	0	0	0	113.6	P166	P166-G170 VanDerWaalsContact O-CA 3.31Å; P166-G170 WeakPolarHBondContact O-CA 3.25Å; P166-G170 PolarHBondContact O-N 2.84Å
171	V	92.2	Very high	95	Very high	72 Å²	72	72.8 Å²	72.8	44%	0.436	38%	0.38	S	S	.	.	P	Polyproline II helix	trans	-101.9	153.3	-177.8	-59.6	0	0	0	0	111.2	P166 L169	P166-V171 WeakPolarHBondContact CA-O 3.47Å; P166-V171 VanDerWaalsContact CB-O 3.31Å; P166-V171 WeakPolarHBondContact CB-O 3.23Å; L169-V171 HydrophobicContact CB-CG1 3.99Å; L169-V171 HydrophobicContact CB-CG2 3.94Å; L169-V171 HydrophobicContact CD1-CG2 4.48Å; L169-V171 PolarHBondContact O-N 2.97Å
172	P	93.4	Very high	95	Very high	118 Å²	118	74.6 Å²	74.6	77%	0.766	39%	0.39	S	S	*	.	P	Polyproline II helix	trans	-64.1	160.2	173	28	-35.5	0	0	0	111.8	D174	P172-D174 PolarHBondContact O-N 3.42Å
173	V	95.4	Very high	95.2	Very high	51 Å²	51	77.6 Å²	77.6	31%	0.309	41%	0.412	S	S	.	.	P	Polyproline II helix	trans	-65.5	128.5	173.6	177.2	0	0	0	0	109.6	P166 Q175 L178	P166-V173 HydrophobicContact CG-CG2 3.78Å; V173-Q175 PolarHBondContact O-N 3.07Å; V173-Q175 VanDerWaalsContact O-N 3.1Å; V173-L178 HydrophobicContact CG1-CB 4.23Å; V173-L178 HydrophobicContact CG1-CD2 3.68Å
174	D	96.2	Very high	95.4	Very high	72 Å²	72	80.2 Å²	80.2	39%	0.385	43%	0.425	S	S	.	.			trans	-75.7	97	169	-176.7	-30.3	0	0	0	109.2	P172 R176 R177 L178	P172-D174 PolarHBondContact O-N 3.42Å; D174-R176 VanDerWaalsContact C-N 3.31Å; D174-R176 PolarHBondContact O-N 3.2Å; D174-R176 PolarHBondContact OD1-N 2.85Å; D174-R176 VanDerWaalsContact OD1-N 3.17Å; D174-R177 HydrophobicContact CB-CB 4.16Å; D174-R177 HydrophobicContact CB-CG 4.33Å; D174-R177 PolarHBondContact O-N 3.03Å; D174-R177 PolarHBondContact OD1-N 3.16Å; D174-R177 WeakPolarHBondContact OD2-CD 3.36Å; D174-R177 WeakPolarHBondContact OD2-CG 3.37Å; D174-L178 WeakPolarHBondContact O-CB 3.22Å; D174-L178 PolarHBondContact O-N 3.02Å
175	Q	97.4	Very high	95.7	Very high	103 Å²	103	78.5 Å²	78.5	48%	0.481	42%	0.416	S	S	.	.	H	α-helix	trans	-60.6	-39.4	-174.5	-164.7	59.1	45.9	0	0	112.2	V173 R177 L178 D179	V173-Q175 PolarHBondContact O-N 3.07Å; V173-Q175 VanDerWaalsContact O-N 3.1Å; Q175-R177 VanDerWaalsContact C-N 3.34Å; Q175-R177 PolarHBondContact O-N 3.15Å; Q175-L178 PolarHBondContact O-N 2.58Å; Q175-D179 PolarHBondContact NE2-OD1 3.23Å; Q175-D179 WeakPolarHBondContact O-CB 3.17Å; Q175-D179 PolarHBondContact O-N 2.94Å
176	R	98	Very high	95.9	Very high	200 Å²	200	79.4 Å²	79.4	76%	0.755	42%	0.421	S	S	*	.	H	α-helix	trans	-63.6	-40.5	-179.6	-69.1	-178.4	177.6	176.8	-0.2	111.6	D174 R180	D174-R176 VanDerWaalsContact C-N 3.31Å; D174-R176 PolarHBondContact O-N 3.2Å; D174-R176 PolarHBondContact OD1-N 2.85Å; D174-R176 VanDerWaalsContact OD1-N 3.17Å; R176-R180 WeakPolarHBondContact O-CG 3.47Å; R176-R180 PolarHBondContact O-N 3.35Å
177	R	98.1	Very high	96.2	Very high	131 Å²	131	80.9 Å²	80.9	49%	0.494	43%	0.43	S	S	.	.	H	α-helix	trans	-70.8	-38.2	176.1	-70.6	174.5	67.9	-166.5	0.2	111.7	L161 D174 Q175 A181	L161-R177 HydrophobicContact CD1-CB 4.08Å; L161-R177 HydrophobicContact CD2-CB 4.22Å; D174-R177 HydrophobicContact CB-CB 4.16Å; D174-R177 HydrophobicContact CB-CG 4.33Å; D174-R177 PolarHBondContact O-N 3.03Å; D174-R177 PolarHBondContact OD1-N 3.16Å; D174-R177 WeakPolarHBondContact OD2-CD 3.36Å; D174-R177 WeakPolarHBondContact OD2-CG 3.37Å; Q175-R177 VanDerWaalsContact C-N 3.34Å; Q175-R177 PolarHBondContact O-N 3.15Å; R177-A181 PolarHBondContact O-N 3.26Å
178	L	98.1	Very high	96.6	Very high	4 Å²	4	77.9 Å²	77.9	2%	0.021	41%	0.405	C	S	.	.	H	α-helix	trans	-64.8	-46.3	177.3	179.5	59.1	0	0	0	111.5	V158 L161 E162 V173 D174 Q175 R180 A181 L182	V158-L178 HydrophobicContact CG1-CD1 4.11Å; L161-L178 HydrophobicContact CB-CD1 4.49Å; E162-L178 HydrophobicContact CB-CD1 4.12Å; E162-L178 HydrophobicContact CB-CD2 4.28Å; E162-L178 HydrophobicContact CG-CD2 3.92Å; V173-L178 HydrophobicContact CG1-CB 4.23Å; V173-L178 HydrophobicContact CG1-CD2 3.68Å; D174-L178 WeakPolarHBondContact O-CB 3.22Å; D174-L178 PolarHBondContact O-N 3.02Å; Q175-L178 PolarHBondContact O-N 2.58Å; L178-R180 VanDerWaalsContact C-N 3.3Å; L178-R180 PolarHBondContact O-N 3.35Å; L178-A181 CarbonylContact O-C 3.59Å; L178-A181 WeakPolarHBondContact O-CB 3.36Å; L178-A181 PolarHBondContact O-N 2.84Å; L178-L182 HydrophobicContact CD1-CD1 4.25Å; L178-L182 HydrophobicContact CD1-CG 4.18Å; L178-L182 HydrophobicContact CG-CD1 3.97Å; L178-L182 HydrophobicContact CG-CG 4.37Å; L178-L182 WeakPolarHBondContact O-CG 3.15Å; L178-L182 PolarHBondContact O-N 3.36Å
179	D	98.4	Very high	97.1	Very high	79 Å²	79	71.3 Å²	71.3	42%	0.422	37%	0.374	S	S	.	.	H	α-helix	trans	-59.2	-42.1	179.4	-66.1	-20.9	0	0	0	111.4	Q175 L182 S183	Q175-D179 PolarHBondContact NE2-OD1 3.23Å; Q175-D179 WeakPolarHBondContact O-CB 3.17Å; Q175-D179 PolarHBondContact O-N 2.94Å; D179-L182 PolarHBondContact O-N 3.28Å; D179-S183 PolarHBondContact O-N 3Å
180	R	98.5	Very high	97.4	Very high	172 Å²	172	70.7 Å²	70.7	65%	0.649	37%	0.369	S	S	*	.	H	α-helix	trans	-62.3	-45	173	-69.3	177.5	-169.9	177.2	2.1	112	R176 L178 L182 S183 D184	R176-R180 WeakPolarHBondContact O-CG 3.47Å; R176-R180 PolarHBondContact O-N 3.35Å; L178-R180 VanDerWaalsContact C-N 3.3Å; L178-R180 PolarHBondContact O-N 3.35Å; R180-L182 VanDerWaalsContact C-N 3.3Å; R180-L182 PolarHBondContact O-N 3.28Å; R180-S183 PolarHBondContact O-N 3.28Å; R180-D184 VanDerWaalsContact O-CG 3.23Å; R180-D184 PolarHBondContact O-N 2.69Å
181	A	98.6	Very high	97.6	Very high	0 Å²	0	72.8 Å²	72.8	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-63.9	-36	178.2	0	0	0	0	0	112.5	K157 V158 L161 R177 L178 L185	K157-A181 HydrophobicContact CB-CB 4.42Å; K157-A181 HydrophobicContact CD-CB 3.79Å; K157-A181 HydrophobicContact CG-CB 3.77Å; V158-A181 HydrophobicContact CG2-CB 4.04Å; L161-A181 HydrophobicContact CD1-CB 3.8Å; R177-A181 PolarHBondContact O-N 3.26Å; L178-A181 CarbonylContact O-C 3.59Å; L178-A181 WeakPolarHBondContact O-CB 3.36Å; L178-A181 PolarHBondContact O-N 2.84Å; A181-L185 WeakPolarHBondContact O-CB 3.34Å; A181-L185 PolarHBondContact O-N 2.99Å
182	L	98.6	Very high	97.9	Very high	49 Å²	49	69.4 Å²	69.4	26%	0.257	33%	0.334	S	S	.	.	H	α-helix	trans	-66.9	-42	173.8	-72.7	168.7	0	0	0	111.1	V158 L178 D179 R180 L185 D186 R227	V158-L182 HydrophobicContact CG1-CD2 3.97Å; V158-L182 HydrophobicContact CG2-CD2 3.97Å; V158-L182 HydrophobicContact CG2-CG 4.36Å; L178-L182 HydrophobicContact CD1-CD1 4.25Å; L178-L182 HydrophobicContact CD1-CG 4.18Å; L178-L182 HydrophobicContact CG-CD1 3.97Å; L178-L182 HydrophobicContact CG-CG 4.37Å; L178-L182 WeakPolarHBondContact O-CG 3.15Å; L178-L182 PolarHBondContact O-N 3.36Å; D179-L182 PolarHBondContact O-N 3.28Å; R180-L182 VanDerWaalsContact C-N 3.3Å; R180-L182 PolarHBondContact O-N 3.28Å; L182-L185 PolarHBondContact O-N 2.97Å; L182-D186 WeakPolarHBondContact O-CB 3.32Å; L182-D186 PolarHBondContact O-N 3.46Å; L182-R227 HydrophobicContact CD2-CG 4.34Å
183	S	98.5	Very high	98.2	Very high	72 Å²	72	65.4 Å²	65.4	50%	0.503	31%	0.305	S	S	.	.	H	α-helix	trans	-62.9	-42.9	174.5	-173.9	0	0	0	0	112.5	D179 R180 L185 D186 V187	D179-S183 PolarHBondContact O-N 3Å; R180-S183 PolarHBondContact O-N 3.28Å; S183-L185 VanDerWaalsContact C-N 3.3Å; S183-L185 PolarHBondContact O-N 2.99Å; S183-D186 PolarHBondContact O-N 3.49Å; S183-V187 PolarHBondContact O-N 3.21Å
184	D	98.6	Very high	98.3	Very high	59 Å²	59	66.6 Å²	66.6	32%	0.316	32%	0.315	S	S	.	.	H	α-helix	trans	-60.3	-42.5	175.2	-64	-27.6	0	0	0	111	K157 R180 T188	K157-D184 IonicContact NZ-OD2 2.81Å; K157-D184 PolarHBondContact NZ-OD2 3.07Å; R180-D184 VanDerWaalsContact O-CG 3.23Å; R180-D184 PolarHBondContact O-N 2.69Å; D184-T188 PolarHBondContact O-N 3.2Å; D184-T188 PolarHBondContact O-OG1 3.29Å
185	L	98.7	Very high	98.3	Very high	2 Å²	2	67.5 Å²	67.5	1%	0.01	32%	0.318	C	S	.	.	H	α-helix	trans	-68.3	-37.7	177.8	-179.3	58	0	0	0	111.6	H154 A155 V158 A181 L182 S183 T188 L189 L219 P222 I229	H154-L185 HydrophobicContact CB-CB 4.16Å; H154-L185 HydrophobicContact CB-CD1 3.99Å; A155-L185 HydrophobicContact CB-CD1 4.3Å; V158-L185 HydrophobicContact CG2-CB 4.44Å; V158-L185 HydrophobicContact CG2-CD2 3.83Å; A181-L185 WeakPolarHBondContact O-CB 3.34Å; A181-L185 PolarHBondContact O-N 2.99Å; L182-L185 PolarHBondContact O-N 2.97Å; S183-L185 VanDerWaalsContact C-N 3.3Å; S183-L185 PolarHBondContact O-N 2.99Å; L185-T188 CarbonylContact O-C 3.47Å; L185-T188 WeakPolarHBondContact O-CA 3.37Å; L185-T188 VanDerWaalsContact O-CB 3.26Å; L185-T188 WeakPolarHBondContact O-CB 3.19Å; L185-T188 PolarHBondContact O-N 3.2Å; L185-L189 HydrophobicContact CD1-CD2 4.5Å; L185-L189 HydrophobicContact CD1-CG 4.23Å; L185-L189 HydrophobicContact CG-CD1 4.17Å; L185-L189 HydrophobicContact CG-CG 4.32Å; L185-L189 VanDerWaalsContact O-CG 3.31Å; L185-L189 WeakPolarHBondContact O-CG 3.37Å; L185-L189 PolarHBondContact O-N 2.75Å; L185-L219 HydrophobicContact CD1-CD2 4.48Å; L185-P222 HydrophobicContact CD2-CG 4.41Å; L185-I229 HydrophobicContact CD2-CB 4.44Å; L185-I229 HydrophobicContact CD2-CD1 4.17Å; L185-I229 HydrophobicContact CD2-CG2 3.87Å
186	D	98.6	Very high	98.4	Very high	72 Å²	72	63 Å²	63	39%	0.385	30%	0.297	S	S	.	.	H	α-helix	trans	-60.8	-48.7	179.5	-163.1	60.8	0	0	0	111.5	L182 S183 T188 L189 E190 R233	L182-D186 WeakPolarHBondContact O-CB 3.32Å; L182-D186 PolarHBondContact O-N 3.46Å; S183-D186 PolarHBondContact O-N 3.49Å; D186-T188 PolarHBondContact O-N 3.44Å; D186-L189 PolarHBondContact O-N 3.04Å; D186-L189 VanDerWaalsContact O-N 3.09Å; D186-E190 WeakPolarHBondContact O-CG 3.33Å; D186-E190 PolarHBondContact O-N 3.27Å; D186-R233 PolarHBondContact O-NH2 2.86Å; D186-R233 IonicContact OD1-CZ 3.6Å; D186-R233 IonicContact OD1-NE 3.74Å; D186-R233 IonicContact OD1-NH2 2.69Å; D186-R233 PolarHBondContact OD1-NH2 3.27Å; D186-R233 IonicContact OD2-NH2 3.71Å; D186-R233 PolarHBondContact OD2-NH2 3.3Å
187	V	98.6	Very high	98.4	Very high	55 Å²	55	53.6 Å²	53.6	33%	0.333	26%	0.262	S	S	.	.	H	α-helix	trans	-57.8	-36.2	172.4	174.6	0	0	0	0	111.6	S183 E190 R191	S183-V187 PolarHBondContact O-N 3.21Å; V187-E190 PolarHBondContact O-N 3.19Å; V187-R191 WeakPolarHBondContact O-CG 3.39Å; V187-R191 PolarHBondContact O-N 2.95Å; V187-R191 VanDerWaalsContact O-N 3.09Å
188	T	98.8	Very high	98.3	Very high	1 Å²	1	52 Å²	52	1%	0.006	26%	0.26	C	S	.	.	H	α-helix	trans	-69.3	-39.4	178.2	-61.7	0	0	0	0	112.3	W146 N150 T151 H154 D184 L185 D186 R191 L192	W146-T188 HydrophobicContact CH2-CG2 3.8Å; W146-T188 HydrophobicContact CZ2-CG2 4.48Å; N150-T188 HydrophobicContact CB-CG2 3.96Å; T151-T188 HydrophobicContact CG2-CG2 3.64Å; H154-T188 PolarHBondContact CE1-OG1 3.49Å; H154-T188 PolarHBondContact ND1-OG1 2.77Å; D184-T188 PolarHBondContact O-N 3.2Å; D184-T188 PolarHBondContact O-OG1 3.29Å; L185-T188 CarbonylContact O-C 3.47Å; L185-T188 WeakPolarHBondContact O-CA 3.37Å; L185-T188 VanDerWaalsContact O-CB 3.26Å; L185-T188 WeakPolarHBondContact O-CB 3.19Å; L185-T188 PolarHBondContact O-N 3.2Å; D186-T188 PolarHBondContact O-N 3.44Å; T188-R191 PolarHBondContact O-N 3.3Å; T188-L192 WeakPolarHBondContact O-CB 3.43Å; T188-L192 PolarHBondContact O-N 3.12Å
189	L	98.8	Very high	98.1	Very high	3 Å²	3	63.5 Å²	63.5	2%	0.016	30%	0.303	C	S	.	.	H	α-helix	trans	-68.1	-36.5	176.4	-66.3	171.2	0	0	0	111.2	L185 D186 L192 E193 L219 I229 L230 L236	L185-L189 HydrophobicContact CD1-CD2 4.5Å; L185-L189 HydrophobicContact CD1-CG 4.23Å; L185-L189 HydrophobicContact CG-CD1 4.17Å; L185-L189 HydrophobicContact CG-CG 4.32Å; L185-L189 VanDerWaalsContact O-CG 3.31Å; L185-L189 WeakPolarHBondContact O-CG 3.37Å; L185-L189 PolarHBondContact O-N 2.75Å; D186-L189 PolarHBondContact O-N 3.04Å; D186-L189 VanDerWaalsContact O-N 3.09Å; L189-L192 PolarHBondContact O-N 3.48Å; L189-E193 WeakPolarHBondContact O-CB 3.12Å; L189-E193 PolarHBondContact O-N 3.41Å; L189-L219 HydrophobicContact CD2-CD1 3.83Å; L189-L219 HydrophobicContact CD2-CD2 3.64Å; L189-L219 HydrophobicContact CD2-CG 4.41Å; L189-I229 HydrophobicContact CD1-CB 4.3Å; L189-I229 HydrophobicContact CD1-CD1 4.17Å; L189-I229 HydrophobicContact CD2-CD1 4.34Å; L189-L230 HydrophobicContact CD2-CD2 4.3Å; L189-L236 HydrophobicContact CB-CD1 4.07Å; L189-L236 HydrophobicContact CD2-CD1 3.89Å; L189-L236 HydrophobicContact CG-CD1 4.5Å
190	E	98.6	Very high	98.1	Very high	98 Å²	98	63.2 Å²	63.2	46%	0.458	30%	0.299	S	S	.	.	H	α-helix	trans	-61.3	-43.8	171.3	-67.7	178.5	165	0	0	112.1	D186 V187 E193 S194	D186-E190 WeakPolarHBondContact O-CG 3.33Å; D186-E190 PolarHBondContact O-N 3.27Å; V187-E190 PolarHBondContact O-N 3.19Å; E190-E193 PolarHBondContact O-N 3.13Å; E190-S194 VanDerWaalsContact O-CB 3.31Å; E190-S194 WeakPolarHBondContact O-CB 3.27Å; E190-S194 PolarHBondContact O-N 2.96Å; E190-S194 PolarHBondContact O-OG 3.44Å
191	R	98.5	Very high	98	Very high	116 Å²	116	56.3 Å²	56.3	44%	0.438	28%	0.279	S	S	.	.	H	α-helix	trans	-66.6	-41.7	175.8	-71.3	172	-176.9	173.8	1.7	111.9	W146 V187 T188 E193 S194 M195	W146-R191 HydrophobicContact CH2-CB 4.37Å; W146-R191 HydrophobicContact CZ2-CB 3.81Å; V187-R191 WeakPolarHBondContact O-CG 3.39Å; V187-R191 PolarHBondContact O-N 2.95Å; V187-R191 VanDerWaalsContact O-N 3.09Å; T188-R191 PolarHBondContact O-N 3.3Å; R191-E193 VanDerWaalsContact C-N 3.29Å; R191-E193 PolarHBondContact O-N 2.89Å; R191-S194 PolarHBondContact O-N 2.83Å; R191-M195 HydrophobicContact CB-SD 4.05Å; R191-M195 HydrophobicContact CG-SD 4.32Å; R191-M195 WeakPolarHBondContact O-CB 3.41Å; R191-M195 WeakPolarHBondContact O-CG 3.31Å; R191-M195 PolarHBondContact O-N 3.32Å
192	L	98.6	Very high	98	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	28%	0.283	C	S	.	.	I	π-helix	trans	-56.7	-46.3	175.2	-175.6	66.5	0	0	0	110.9	Y143 W146 T151 T188 L189 F196 L197 L203 L219 L236	Y143-L192 HydrophobicContact CD2-CD1 4.31Å; Y143-L192 HydrophobicContact CE2-CD1 3.59Å; W146-L192 HydrophobicContact CZ3-CD1 4.33Å; T151-L192 HydrophobicContact CG2-CD1 4.37Å; T151-L192 HydrophobicContact CG2-CD2 4.25Å; T188-L192 WeakPolarHBondContact O-CB 3.43Å; T188-L192 PolarHBondContact O-N 3.12Å; L189-L192 PolarHBondContact O-N 3.48Å; L192-F196 HydrophobicContact CD1-CB 4.43Å; L192-F196 HydrophobicContact CD1-CD2 4.31Å; L192-F196 WeakPolarHBondContact O-CB 3.44Å; L192-F196 PolarHBondContact O-N 3.24Å; L192-L197 PolarHBondContact O-N 3.47Å; L192-L203 HydrophobicContact CD1-CD1 4.06Å; L192-L203 HydrophobicContact CD1-CD2 3.78Å; L192-L203 HydrophobicContact CG-CD2 4.19Å; L192-L219 HydrophobicContact CD2-CD1 3.88Å; L192-L236 HydrophobicContact CD2-CD2 4.03Å; L192-L236 HydrophobicContact CG-CD2 4.33Å
193	E	98.2	Very high	98	Very high	35 Å²	35	55.1 Å²	55.1	16%	0.164	27%	0.272	C	S	.	.	I	π-helix	trans	-69.8	-47	-180	-172.1	171.2	171.2	0	0	112.4	L189 E190 R191 Q198 R233 Q235 L236	L189-E193 WeakPolarHBondContact O-CB 3.12Å; L189-E193 PolarHBondContact O-N 3.41Å; E190-E193 PolarHBondContact O-N 3.13Å; R191-E193 VanDerWaalsContact C-N 3.29Å; R191-E193 PolarHBondContact O-N 2.89Å; E193-Q198 WeakPolarHBondContact O-CA 3.25Å; E193-Q198 PolarHBondContact O-N 3.31Å; E193-R233 IonicContact OE2-NH1 2.75Å; E193-Q235 HydrophobicContact CG-CB 4.38Å; E193-Q235 WeakPolarHBondContact OE1-CB 3.25Å; E193-Q235 VanDerWaalsContact OE1-CD 3.25Å; E193-Q235 VanDerWaalsContact OE1-CG 3.24Å; E193-Q235 WeakPolarHBondContact OE1-CG 3.43Å; E193-Q235 PolarHBondContact OE1-NE2 3.4Å; E193-L236 HydrophobicContact CB-CD2 4.44Å
194	S	97.9	Very high	98	Very high	75 Å²	75	52.3 Å²	52.3	52%	0.524	25%	0.252	S	S	.	.	I	π-helix	trans	-79	-31.8	-174.4	58	0	0	0	0	114.6	E190 R191 Q198	E190-S194 VanDerWaalsContact O-CB 3.31Å; E190-S194 WeakPolarHBondContact O-CB 3.27Å; E190-S194 PolarHBondContact O-N 2.96Å; E190-S194 PolarHBondContact O-OG 3.44Å; R191-S194 PolarHBondContact O-N 2.83Å; S194-Q198 VanDerWaalsContact O-CG 3.28Å; S194-Q198 WeakPolarHBondContact O-CG 3.32Å; S194-Q198 PolarHBondContact O-NE2 2.88Å
195	M	97.3	Very high	97.9	Very high	91 Å²	91	50.1 Å²	50.1	45%	0.448	24%	0.243	S	C	.	.	I	π-helix	trans	-93.6	-42.3	-177	-60.7	175.9	58.2	0	0	112.6	R191 Q198	R191-M195 HydrophobicContact CB-SD 4.05Å; R191-M195 HydrophobicContact CG-SD 4.32Å; R191-M195 WeakPolarHBondContact O-CB 3.41Å; R191-M195 WeakPolarHBondContact O-CG 3.31Å; R191-M195 PolarHBondContact O-N 3.32Å; M195-Q198 PolarHBondContact O-NE2 3.11Å
196	F	98.3	Very high	97.8	Very high	10 Å²	10	56.1 Å²	56.1	4%	0.044	28%	0.276	C	S	.	.	I	π-helix	trans	-106.1	-58.2	-170	-60.4	-84.6	0	0	0	112.3	E142 Y143 W146 L192 L203	E142-F196 HydrophobicContact CG-CE1 4.12Å; Y143-F196 AromaticContact CD2-CD1 3.93Å; Y143-F196 HydrophobicContact CD2-CD1 3.93Å; Y143-F196 HydrophobicContact CD2-CD2 4.3Å; Y143-F196 HydrophobicContact CD2-CE1 4.02Å; Y143-F196 HydrophobicContact CD2-CE2 4.38Å; Y143-F196 HydrophobicContact CD2-CG 4.07Å; Y143-F196 HydrophobicContact CD2-CZ 4.25Å; Y143-F196 HydrophobicContact CG-CD1 4.46Å; Y143-F196 HydrophobicContact CG-CE1 4.44Å; W146-F196 HydrophobicContact CB-CZ 3.89Å; W146-F196 AromaticContact CD2-CE2 3.57Å; W146-F196 HydrophobicContact CD2-CE2 3.57Å; W146-F196 AromaticContact CD2-CZ 3.8Å; W146-F196 HydrophobicContact CD2-CZ 3.8Å; W146-F196 AromaticContact CE2-CE2 3.84Å; W146-F196 AromaticContact CE3-CE2 3.7Å; W146-F196 HydrophobicContact CE3-CE2 3.7Å; W146-F196 HydrophobicContact CE3-CZ 4.06Å; W146-F196 AromaticContact CG-CE2 3.98Å; W146-F196 HydrophobicContact CG-CE2 3.98Å; W146-F196 AromaticContact CG-CZ 3.72Å; W146-F196 HydrophobicContact CG-CZ 3.72Å; W146-F196 HydrophobicContact CH2-CE2 4.32Å; W146-F196 HydrophobicContact CZ2-CE2 4.23Å; W146-F196 HydrophobicContact CZ3-CE2 4.07Å; L192-F196 HydrophobicContact CD1-CB 4.43Å; L192-F196 HydrophobicContact CD1-CD2 4.31Å; L192-F196 WeakPolarHBondContact O-CB 3.44Å; L192-F196 PolarHBondContact O-N 3.24Å; F196-L203 HydrophobicContact CB-CB 4.36Å; F196-L203 HydrophobicContact CB-CD2 4.06Å
197	L	98.3	Very high	97.7	Very high	1 Å²	1	56 Å²	56	1%	0.005	28%	0.275	C	S	.	.	I	π-helix	trans	-70	-46.6	-174.8	-176.8	60.2	0	0	0	112.8	L192 R199 Q200 L203 Q235 L236 W239	L192-L197 PolarHBondContact O-N 3.47Å; L197-R199 PolarHBondContact O-N 3.41Å; L197-Q200 VanDerWaalsContact O-CB 3.29Å; L197-Q200 WeakPolarHBondContact O-CB 3.16Å; L197-Q200 PolarHBondContact O-N 3.02Å; L197-L203 HydrophobicContact CB-CD2 4.03Å; L197-Q235 HydrophobicContact CD2-CB 4.17Å; L197-L236 HydrophobicContact CD2-CD2 3.77Å; L197-W239 HydrophobicContact CD1-CB 3.96Å; L197-W239 HydrophobicContact CD1-CG 3.94Å; L197-W239 HydrophobicContact CD2-CB 3.68Å; L197-W239 HydrophobicContact CD2-CG 4.17Å
198	Q	96.4	Very high	97.7	Very high	99 Å²	99	53.9 Å²	53.9	46%	0.463	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	45.5	-120	-178.7	-61.6	-177.3	-9.4	0	0	112.3	E193 S194 M195 Q235	E193-Q198 WeakPolarHBondContact O-CA 3.25Å; E193-Q198 PolarHBondContact O-N 3.31Å; S194-Q198 VanDerWaalsContact O-CG 3.28Å; S194-Q198 WeakPolarHBondContact O-CG 3.32Å; S194-Q198 PolarHBondContact O-NE2 2.88Å; M195-Q198 PolarHBondContact O-NE2 3.11Å; Q198-Q235 PolarHBondContact O-OE1 3.05Å
199	R	94.4	Very high	97.7	Very high	245 Å²	245	54 Å²	54	93%	0.925	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.7	12.7	175.2	-63	-175.8	176.9	-173.3	-0.7	112.7	L197	L197-R199 PolarHBondContact O-N 3.41Å
200	Q	96.7	Very high	97.7	Very high	72 Å²	72	53.8 Å²	53.8	34%	0.336	26%	0.261	S	S	.	.	S	Bend	trans	-84.8	165	-175.2	-56.5	-178	-15.6	0	0	111.5	L197 F202	L197-Q200 VanDerWaalsContact O-CB 3.29Å; L197-Q200 WeakPolarHBondContact O-CB 3.16Å; L197-Q200 PolarHBondContact O-N 3.02Å; Q200-F202 WeakPolarHBondContact CB-O 3.29Å; Q200-F202 PolarHBondContact OE1-O 3.1Å
201	A	97.6	Very high	97.8	Very high	27 Å²	27	49.1 Å²	49.1	22%	0.223	24%	0.239	C	C	.	.	S	Bend	trans	-72.5	-41.7	175.1	0	0	0	0	0	111.5	R242	A201-R242 PolarHBondContact O-NE 3.29Å; A201-R242 PolarHBondContact O-NH2 3.43Å
202	F	98.8	Very high	97.8	Very high	20 Å²	20	43.6 Å²	43.6	9%	0.088	22%	0.219	C	C	.	.	B	Isolated β-bridge	trans	-129.3	171.8	-177.6	-63.9	-79.7	0	0	0	110.6	Q200 C204 G205 D206 D207 I208 D212 R242 V243 A246	Q200-F202 WeakPolarHBondContact CB-O 3.29Å; Q200-F202 PolarHBondContact OE1-O 3.1Å; F202-C204 PolarHBondContact O-N 3.1Å; F202-C204 VanDerWaalsContact O-N 3.16Å; F202-G205 PolarHBondContact N-O 3.08Å; F202-G205 PolarHBondContact O-N 2.91Å; F202-D206 VanDerWaalsContact CD2-O 3.24Å; F202-D206 WeakPolarHBondContact CD2-O 3.4Å; F202-D206 WeakPolarHBondContact CE2-O 3.42Å; F202-D207 WeakPolarHBondContact CB-O 3.34Å; F202-I208 HydrophobicContact CD1-CB 3.88Å; F202-I208 HydrophobicContact CD1-CG1 4.13Å; F202-I208 VanDerWaalsContact CD2-N 3.34Å; F202-I208 HydrophobicContact CE1-CB 3.73Å; F202-I208 HydrophobicContact CE1-CD1 4.4Å; F202-I208 HydrophobicContact CE1-CG1 4.12Å; F202-I208 HydrophobicContact CE2-CB 4.41Å; F202-I208 HydrophobicContact CG-CB 4.28Å; F202-I208 HydrophobicContact CZ-CB 4.01Å; F202-D212 WeakPolarHBondContact CB-OD1 3.31Å; F202-R242 HydrophobicContact CE1-CB 4.01Å; F202-R242 HydrophobicContact CZ-CB 4.05Å; F202-V243 HydrophobicContact CD1-CG2 3.94Å; F202-V243 HydrophobicContact CE1-CG2 3.93Å; F202-A246 HydrophobicContact CZ-CB 4.42Å
203	L	98.6	Very high	97.8	Very high	4 Å²	4	43.6 Å²	43.6	2%	0.021	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-19.9	-172.5	-65.6	-178.4	0	0	0	114.5	Y143 L192 F196 L197 D212 A215 W239	Y143-L203 HydrophobicContact CD2-CD1 4.07Å; Y143-L203 HydrophobicContact CE1-CD1 4.41Å; Y143-L203 HydrophobicContact CE2-CD1 3.81Å; Y143-L203 HydrophobicContact CG-CD1 4.48Å; L192-L203 HydrophobicContact CD1-CD1 4.06Å; L192-L203 HydrophobicContact CD1-CD2 3.78Å; L192-L203 HydrophobicContact CG-CD2 4.19Å; F196-L203 HydrophobicContact CB-CB 4.36Å; F196-L203 HydrophobicContact CB-CD2 4.06Å; L197-L203 HydrophobicContact CB-CD2 4.03Å; L203-D212 WeakPolarHBondContact CG-OD1 3.26Å; L203-D212 PolarHBondContact N-OD1 2.85Å; L203-A215 HydrophobicContact CD1-CB 3.4Å; L203-A215 VanDerWaalsContact CD1-CB 3.4Å; L203-W239 HydrophobicContact CD1-CZ2 3.94Å; L203-W239 HydrophobicContact CD2-CZ2 4.41Å; L203-W239 HydrophobicContact CG-CZ2 4.05Å
204	C	97.6	Very high	97.8	Very high	13 Å²	13	42 Å²	42	9%	0.088	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-128	19.9	-175	-56.2	0	0	0	0	112.7	R139 V140 F202 T209	R139-C204 HydrophobicContact CB-CB 4.2Å; V140-C204 HydrophobicContact CG2-CB 3.91Å; F202-C204 PolarHBondContact O-N 3.1Å; F202-C204 VanDerWaalsContact O-N 3.16Å; C204-T209 HydrophobicContact CB-CG2 4.07Å
205	G	95.9	Very high	97.9	Very high	13 Å²	13	38.5 Å²	38.5	13%	0.134	19%	0.186	C	C	.	.	B	Isolated β-bridge	trans	133.7	-144.2	177	0	0	0	0	0	113.9	F202	F202-G205 PolarHBondContact N-O 3.08Å; F202-G205 PolarHBondContact O-N 2.91Å
206	D	96.8	Very high	97.9	Very high	129 Å²	129	34.2 Å²	34.2	69%	0.69	17%	0.165	S	C	*	.	S	Bend	trans	-87.3	-19.8	-171.7	-60.8	-38	0	0	0	114	F202	F202-D206 VanDerWaalsContact CD2-O 3.24Å; F202-D206 WeakPolarHBondContact CD2-O 3.4Å; F202-D206 WeakPolarHBondContact CE2-O 3.42Å
207	D	97.6	Very high	98	Very high	68 Å²	68	33.7 Å²	33.7	36%	0.364	16%	0.163	S	C	.	.	S	Bend	trans	-109.5	150.2	178.3	-57.6	-62.8	0	0	0	111.5	H128 R136 F202	H128-D207 HydrophobicContact CB-CB 3.62Å; R136-D207 IonicContact CZ-OD2 4Å; R136-D207 IonicContact NH2-OD2 3.83Å; R136-D207 PolarHBondContact NH2-OD2 2.74Å; F202-D207 WeakPolarHBondContact CB-O 3.34Å
208	I	98.7	Very high	98	Very high	11 Å²	11	33.9 Å²	33.9	6%	0.056	16%	0.164	C	C	.	.			trans	-63.4	142.1	171.1	-169.8	171.1	0	0	0	110.9	H128 W129 F202 D212 L213 V243 A246 V247	H128-I208 PolarHBondContact CD2-O 2.93Å; W129-I208 HydrophobicContact CH2-CD1 4.02Å; W129-I208 HydrophobicContact CH2-CG1 4.34Å; W129-I208 HydrophobicContact CH2-CG2 3.97Å; W129-I208 HydrophobicContact CZ2-CG2 4.43Å; W129-I208 HydrophobicContact CZ3-CD1 4.02Å; W129-I208 HydrophobicContact CZ3-CG1 3.96Å; W129-I208 HydrophobicContact CZ3-CG2 4.08Å; F202-I208 HydrophobicContact CD1-CB 3.88Å; F202-I208 HydrophobicContact CD1-CG1 4.13Å; F202-I208 VanDerWaalsContact CD2-N 3.34Å; F202-I208 HydrophobicContact CE1-CB 3.73Å; F202-I208 HydrophobicContact CE1-CD1 4.4Å; F202-I208 HydrophobicContact CE1-CG1 4.12Å; F202-I208 HydrophobicContact CE2-CB 4.41Å; F202-I208 HydrophobicContact CG-CB 4.28Å; F202-I208 HydrophobicContact CZ-CB 4.01Å; I208-D212 HydrophobicContact CD1-CB 4.45Å; I208-D212 HydrophobicContact CG1-CB 3.82Å; I208-L213 HydrophobicContact CD1-CD2 4.15Å; I208-V243 HydrophobicContact CD1-CG1 4.02Å; I208-A246 HydrophobicContact CB-CB 4.36Å; I208-A246 HydrophobicContact CD1-CB 3.78Å; I208-A246 HydrophobicContact CG2-CB 4.19Å; I208-V247 HydrophobicContact CD1-CG1 3.84Å
209	T	98.9	Very high	98.1	Very high	3 Å²	3	29.2 Å²	29.2	2%	0.018	14%	0.142	C	C	.	.			trans	-131.1	175.2	176.8	71.3	0	0	0	0	111.3	H128 V140 C204 A211 D212 L213	H128-T209 WeakPolarHBondContact O-CG2 3.49Å; V140-T209 HydrophobicContact CG2-CG2 3.86Å; C204-T209 HydrophobicContact CB-CG2 4.07Å; T209-A211 PolarHBondContact O-N 3.19Å; T209-A211 WeakPolarHBondContact OG1-CB 3.45Å; T209-A211 PolarHBondContact OG1-N 3.47Å; T209-D212 PolarHBondContact N-OD2 3.33Å; T209-D212 PolarHBondContact O-N 3.23Å; T209-D212 VanDerWaalsContact O-N 3.15Å; T209-D212 PolarHBondContact OG1-OD2 3.09Å; T209-L213 PolarHBondContact O-N 2.86Å
210	V	98.8	Very high	98.3	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-60.9	-23.1	171.7	-66.1	0	0	0	0	113.2	L65 L116 W129 Y130 V140 M144 L213 L214	L65-V210 HydrophobicContact CD1-CG1 4.41Å; L65-V210 HydrophobicContact CD2-CG1 4.24Å; L116-V210 HydrophobicContact CB-CB 4.22Å; L116-V210 HydrophobicContact CB-CG1 4.06Å; L116-V210 HydrophobicContact CD1-CB 4.36Å; L116-V210 HydrophobicContact CD2-CG1 4.37Å; W129-V210 HydrophobicContact CB-CG1 4.41Å; W129-V210 HydrophobicContact CE3-CG1 4.49Å; W129-V210 WeakPolarHBondContact O-CG1 3.47Å; W129-V210 WeakPolarHBondContact O-CG2 3.37Å; W129-V210 PolarHBondContact O-N 2.67Å; Y130-V210 HydrophobicContact CD2-CG2 4.48Å; V140-V210 HydrophobicContact CG1-CG2 3.69Å; M144-V210 HydrophobicContact CE-CG2 4.16Å; M144-V210 HydrophobicContact SD-CG2 3.62Å; V210-L213 PolarHBondContact O-N 3.22Å; V210-L214 PolarHBondContact O-N 3.24Å; V210-L214 VanDerWaalsContact O-N 3.16Å
211	A	98.9	Very high	98.3	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-62.5	-43.9	173.2	0	0	0	0	0	111.5	V140 Y143 T209 L213 L214 A215	V140-A211 HydrophobicContact CG1-CB 4.28Å; Y143-A211 HydrophobicContact CD1-CB 3.38Å; Y143-A211 HydrophobicContact CE1-CB 4.19Å; Y143-A211 WeakPolarHBondContact CE1-O 3.43Å; Y143-A211 HydrophobicContact CG-CB 3.84Å; T209-A211 PolarHBondContact O-N 3.19Å; T209-A211 WeakPolarHBondContact OG1-CB 3.45Å; T209-A211 PolarHBondContact OG1-N 3.47Å; A211-L213 VanDerWaalsContact C-N 3.31Å; A211-L213 PolarHBondContact O-N 2.99Å; A211-L214 PolarHBondContact O-N 3.5Å; A211-A215 WeakPolarHBondContact O-CB 3.31Å; A211-A215 PolarHBondContact O-N 3.09Å
212	D	98.9	Very high	98.3	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-64.2	-36.2	177.7	-59	-87.5	0	0	0	112.1	F202 L203 I208 T209 V216 W239 V243	F202-D212 WeakPolarHBondContact CB-OD1 3.31Å; L203-D212 WeakPolarHBondContact CG-OD1 3.26Å; L203-D212 PolarHBondContact N-OD1 2.85Å; I208-D212 HydrophobicContact CD1-CB 4.45Å; I208-D212 HydrophobicContact CG1-CB 3.82Å; T209-D212 PolarHBondContact N-OD2 3.33Å; T209-D212 PolarHBondContact O-N 3.23Å; T209-D212 VanDerWaalsContact O-N 3.15Å; T209-D212 PolarHBondContact OG1-OD2 3.09Å; D212-V216 WeakPolarHBondContact O-CB 3.32Å; D212-V216 WeakPolarHBondContact O-CG1 3.19Å; D212-V216 PolarHBondContact O-N 2.79Å; D212-W239 HydrophobicContact CB-CZ2 4.39Å; D212-W239 PolarHBondContact OD1-NE1 3.13Å; D212-V243 HydrophobicContact CB-CG2 4.01Å
213	L	98.9	Very high	98.2	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-63.7	-46.5	176.2	-61.7	-171.6	0	0	0	111.9	A61 I64 L65 W129 I208 T209 V210 A211 V216 C217 V247	A61-L213 HydrophobicContact CB-CB 4.23Å; I64-L213 HydrophobicContact CG2-CD1 4.33Å; I64-L213 HydrophobicContact CG2-CD2 3.7Å; L65-L213 HydrophobicContact CB-CD1 3.83Å; L65-L213 HydrophobicContact CD1-CD1 4.03Å; W129-L213 HydrophobicContact CE3-CD1 4.1Å; W129-L213 HydrophobicContact CE3-CG 4.47Å; W129-L213 HydrophobicContact CH2-CD1 4.29Å; W129-L213 HydrophobicContact CH2-CD2 4.25Å; W129-L213 HydrophobicContact CZ3-CD1 3.6Å; W129-L213 HydrophobicContact CZ3-CD2 3.88Å; W129-L213 HydrophobicContact CZ3-CG 3.74Å; I208-L213 HydrophobicContact CD1-CD2 4.15Å; T209-L213 PolarHBondContact O-N 2.86Å; V210-L213 PolarHBondContact O-N 3.22Å; A211-L213 VanDerWaalsContact C-N 3.31Å; A211-L213 PolarHBondContact O-N 2.99Å; L213-V216 WeakPolarHBondContact O-CG1 3.34Å; L213-C217 WeakPolarHBondContact O-CB 3.38Å; L213-C217 PolarHBondContact O-N 3.11Å; L213-C217 VanDerWaalsContact O-N 3.08Å; L213-C217 PolarHBondContact O-SG 3.06Å; L213-V247 HydrophobicContact CD2-CG1 3.71Å
214	L	98.9	Very high	97.9	Very high	2 Å²	2	13.2 Å²	13.2	1%	0.01	7%	0.074	C	C	.	.	H	α-helix	trans	-60.7	-52.9	176.4	-72.8	165.7	0	0	0	110.4	A61 D113 L116 Y143 M144 V210 A211 V216 C217 E218	A61-L214 HydrophobicContact CB-CD2 3.95Å; A61-L214 HydrophobicContact CB-CG 4.4Å; D113-L214 WeakPolarHBondContact OD2-CD1 3.2Å; L116-L214 HydrophobicContact CD1-CD1 4Å; L116-L214 HydrophobicContact CD1-CD2 3.81Å; L116-L214 HydrophobicContact CD1-CG 3.77Å; Y143-L214 HydrophobicContact CE1-CB 4.19Å; M144-L214 HydrophobicContact CE-CD1 3.97Å; M144-L214 HydrophobicContact CG-CD1 3.93Å; V210-L214 PolarHBondContact O-N 3.24Å; V210-L214 VanDerWaalsContact O-N 3.16Å; A211-L214 PolarHBondContact O-N 3.5Å; L214-V216 PolarHBondContact O-N 2.86Å; L214-C217 PolarHBondContact O-N 3.08Å; L214-E218 VanDerWaalsContact O-CD 3.29Å; L214-E218 WeakPolarHBondContact O-CG 3.34Å; L214-E218 PolarHBondContact O-N 3.26Å
215	A	98.9	Very high	97.4	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-55.2	-49.6	179.4	0	0	0	0	0	112.6	Y143 L203 A211 C217 E218 L219 W239	Y143-A215 HydrophobicContact CE1-CB 4.09Å; Y143-A215 HydrophobicContact CE2-CB 4.34Å; Y143-A215 WeakPolarHBondContact OH-CA 3.46Å; Y143-A215 WeakPolarHBondContact OH-CB 3.36Å; L203-A215 HydrophobicContact CD1-CB 3.4Å; L203-A215 VanDerWaalsContact CD1-CB 3.4Å; A211-A215 WeakPolarHBondContact O-CB 3.31Å; A211-A215 PolarHBondContact O-N 3.09Å; A215-C217 VanDerWaalsContact C-N 3.33Å; A215-C217 PolarHBondContact O-N 3.05Å; A215-E218 PolarHBondContact O-N 3.13Å; A215-L219 WeakPolarHBondContact O-CG 3.35Å; A215-L219 PolarHBondContact O-N 2.94Å; A215-W239 HydrophobicContact CB-CH2 3.59Å; A215-W239 HydrophobicContact CB-CZ2 3.7Å
216	V	98.9	Very high	97.2	Very high	1 Å²	1	13.8 Å²	13.8	1%	0.006	8%	0.082	C	C	.	.	H	α-helix	trans	-67.4	-39.3	-175.4	82.7	0	0	0	0	110.5	D212 L213 L214 E218 L219 M220 W239 R240 V243 F251	D212-V216 WeakPolarHBondContact O-CB 3.32Å; D212-V216 WeakPolarHBondContact O-CG1 3.19Å; D212-V216 PolarHBondContact O-N 2.79Å; L213-V216 WeakPolarHBondContact O-CG1 3.34Å; L214-V216 PolarHBondContact O-N 2.86Å; V216-E218 VanDerWaalsContact C-N 3.31Å; V216-E218 PolarHBondContact O-N 2.71Å; V216-L219 PolarHBondContact O-N 3.45Å; V216-M220 HydrophobicContact CG2-CG 4.36Å; V216-M220 WeakPolarHBondContact O-CB 3.15Å; V216-M220 WeakPolarHBondContact O-CG 3.38Å; V216-M220 PolarHBondContact O-N 3.24Å; V216-W239 HydrophobicContact CB-CH2 3.9Å; V216-W239 HydrophobicContact CB-CZ2 4.42Å; V216-W239 HydrophobicContact CG2-CH2 4.24Å; V216-W239 HydrophobicContact CG2-CZ3 4.43Å; V216-R240 HydrophobicContact CG2-CG 3.95Å; V216-V243 HydrophobicContact CB-CG1 3.91Å; V216-V243 HydrophobicContact CG1-CG1 3.7Å; V216-V243 HydrophobicContact CG2-CB 4.42Å; V216-V243 HydrophobicContact CG2-CG1 4.03Å; V216-F251 HydrophobicContact CG1-CE2 4.15Å; V216-F251 HydrophobicContact CG2-CE2 3.66Å; V216-F251 HydrophobicContact CG2-CZ 4.14Å
217	C	98.8	Very high	97.2	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-66	-35.4	177.9	-69.1	0	0	0	0	112	Q57 R60 A61 L213 L214 A215 Q221	Q57-C217 WeakPolarHBondContact O-CB 3.42Å; R60-C217 HydrophobicContact CB-CB 4.16Å; R60-C217 PolarHBondContact NH2-O 3.24Å; A61-C217 HydrophobicContact CB-CB 4.44Å; A61-C217 PolarHBondContact N-SG 3.11Å; A61-C217 VanDerWaalsContact N-SG 3.43Å; L213-C217 WeakPolarHBondContact O-CB 3.38Å; L213-C217 PolarHBondContact O-N 3.11Å; L213-C217 VanDerWaalsContact O-N 3.08Å; L213-C217 PolarHBondContact O-SG 3.06Å; L214-C217 PolarHBondContact O-N 3.08Å; A215-C217 VanDerWaalsContact C-N 3.33Å; A215-C217 PolarHBondContact O-N 3.05Å; C217-Q221 PolarHBondContact O-N 3.39Å
218	E	98.8	Very high	97.1	Very high	4 Å²	4	13.4 Å²	13.4	2%	0.019	7%	0.073	C	C	.	.	H	α-helix	trans	-65.7	-52.5	175.2	-69.5	160.9	178.1	0	0	111	Q57 Y143 H147 T151 R152 A155 L214 A215 V216 M220 Q221 P222	Q57-E218 HydrophobicContact CB-CG 4.3Å; Y143-E218 PolarHBondContact OH-OE2 2.96Å; H147-E218 IonicContact CE1-OE1 3.44Å; H147-E218 IonicContact CG-OE1 3.36Å; H147-E218 IonicContact ND1-OE1 2.82Å; H147-E218 PolarHBondContact ND1-OE1 3.02Å; H147-E218 IonicContact ND1-OE2 3.61Å; T151-E218 WeakPolarHBondContact CB-OE2 3.3Å; T151-E218 PolarHBondContact OG1-OE2 3.27Å; R152-E218 HydrophobicContact CB-CG 4.12Å; R152-E218 WeakPolarHBondContact CB-OE1 3.41Å; R152-E218 HydrophobicContact CG-CG 4.4Å; R152-E218 PolarHBondContact N-OE2 3.31Å; A155-E218 HydrophobicContact CB-CB 4.49Å; A155-E218 VanDerWaalsContact CB-O 3.22Å; A155-E218 WeakPolarHBondContact CB-O 3.45Å; L214-E218 VanDerWaalsContact O-CD 3.29Å; L214-E218 WeakPolarHBondContact O-CG 3.34Å; L214-E218 PolarHBondContact O-N 3.26Å; A215-E218 PolarHBondContact O-N 3.13Å; V216-E218 VanDerWaalsContact C-N 3.31Å; V216-E218 PolarHBondContact O-N 2.71Å; E218-M220 VanDerWaalsContact C-N 3.27Å; E218-M220 PolarHBondContact O-N 2.8Å; E218-Q221 WeakPolarHBondContact O-CB 3.36Å; E218-Q221 PolarHBondContact O-N 3.45Å; E218-P222 WeakPolarHBondContact O-CD 3.42Å
219	L	98.7	Very high	97.1	Very high	1 Å²	1	13.9 Å²	13.9	1%	0.005	8%	0.075	C	C	.	.	H	α-helix	trans	-67.5	-28.6	-179.9	-62.2	-167.9	0	0	0	112.6	A155 L185 L189 L192 A215 V216 Q221 P222 L223 I229 L230 W239	A155-L219 HydrophobicContact CB-CD2 4.5Å; L185-L219 HydrophobicContact CD1-CD2 4.48Å; L189-L219 HydrophobicContact CD2-CD1 3.83Å; L189-L219 HydrophobicContact CD2-CD2 3.64Å; L189-L219 HydrophobicContact CD2-CG 4.41Å; L192-L219 HydrophobicContact CD2-CD1 3.88Å; A215-L219 WeakPolarHBondContact O-CG 3.35Å; A215-L219 PolarHBondContact O-N 2.94Å; V216-L219 PolarHBondContact O-N 3.45Å; L219-Q221 PolarHBondContact O-N 3.46Å; L219-P222 VanDerWaalsContact O-CD 3.23Å; L219-P222 WeakPolarHBondContact O-CD 3.38Å; L219-P222 WeakPolarHBondContact O-CG 3.31Å; L219-L223 HydrophobicContact CB-CD1 4.34Å; L219-L223 WeakPolarHBondContact O-CB 3.39Å; L219-L223 WeakPolarHBondContact O-CD1 3.36Å; L219-L223 VanDerWaalsContact O-CG 3.25Å; L219-L223 WeakPolarHBondContact O-CG 3.41Å; L219-L223 PolarHBondContact O-N 3.46Å; L219-I229 HydrophobicContact CB-CD1 4.19Å; L219-I229 HydrophobicContact CD2-CD1 3.92Å; L219-L230 HydrophobicContact CD1-CD2 4.45Å; L219-W239 HydrophobicContact CD1-CH2 4.44Å; L219-W239 HydrophobicContact CD1-CZ3 3.95Å
220	M	98.4	Very high	97	Very high	5 Å²	5	14 Å²	14	3%	0.025	8%	0.075	C	C	.	.	H	α-helix	trans	-67.1	-17.4	172.3	-75.9	-59.3	-67.9	0	0	113.2	V216 E218 L223 G224 F251 H255 L258 F259	V216-M220 HydrophobicContact CG2-CG 4.36Å; V216-M220 WeakPolarHBondContact O-CB 3.15Å; V216-M220 WeakPolarHBondContact O-CG 3.38Å; V216-M220 PolarHBondContact O-N 3.24Å; E218-M220 VanDerWaalsContact C-N 3.27Å; E218-M220 PolarHBondContact O-N 2.8Å; M220-L223 HydrophobicContact SD-CB 4.01Å; M220-L223 HydrophobicContact SD-CD1 4.09Å; M220-G224 WeakPolarHBondContact O-CA 3.36Å; M220-G224 PolarHBondContact O-N 3.07Å; M220-F251 HydrophobicContact CE-CE1 3.99Å; M220-F251 HydrophobicContact CE-CZ 4.12Å; M220-F251 HydrophobicContact CG-CZ 3.85Å; M220-F251 HydrophobicContact SD-CE1 4.3Å; M220-F251 HydrophobicContact SD-CZ 3.87Å; M220-H255 WeakPolarHBondContact CB-CD2 3.42Å; M220-H255 VanDerWaalsContact CB-NE2 3.29Å; M220-H255 WeakPolarHBondContact CB-NE2 3.46Å; M220-H255 HydrophobicContact CE-CB 4.27Å; M220-L258 WeakPolarHBondContact O-CD1 3.39Å; M220-F259 HydrophobicContact CE-CE1 3.59Å; M220-F259 HydrophobicContact CE-CZ 3.76Å
221	Q	97.1	Very high	96.9	Very high	8 Å²	8	20.8 Å²	20.8	4%	0.037	11%	0.105	C	C	.	.	H	α-helix	trans	-59.2	-56.7	176.4	-162.5	81.7	27.9	0	0	112.2	L55 Q57 F159 C217 E218 L219 S225	L55-Q221 PolarHBondContact O-NE2 3.33Å; L55-Q221 PolarHBondContact O-OE1 3Å; Q57-Q221 HydrophobicContact CG-CB 4.04Å; Q57-Q221 HydrophobicContact CG-CG 4.26Å; F159-Q221 HydrophobicContact CB-CB 4.36Å; F159-Q221 HydrophobicContact CB-CG 3.36Å; F159-Q221 HydrophobicContact CD1-CG 3.84Å; F159-Q221 HydrophobicContact CD2-CG 3.83Å; F159-Q221 WeakPolarHBondContact CD2-O 3.16Å; F159-Q221 HydrophobicContact CG-CG 3.39Å; C217-Q221 PolarHBondContact O-N 3.39Å; E218-Q221 WeakPolarHBondContact O-CB 3.36Å; E218-Q221 PolarHBondContact O-N 3.45Å; L219-Q221 PolarHBondContact O-N 3.46Å; Q221-S225 WeakPolarHBondContact O-CB 3.37Å; Q221-S225 PolarHBondContact O-OG 3.11Å; Q221-S225 VanDerWaalsContact O-OG 3.07Å
222	P	97.3	Very high	96.8	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-69.6	-45.8	171.1	26	-33.9	0	0	0	112.7	A155 V158 L185 E218 L219 S225 G226 R227 I229	A155-P222 HydrophobicContact CB-CG 4.32Å; V158-P222 HydrophobicContact CB-CB 4.42Å; V158-P222 HydrophobicContact CG1-CB 3.9Å; L185-P222 HydrophobicContact CD2-CG 4.41Å; E218-P222 WeakPolarHBondContact O-CD 3.42Å; L219-P222 VanDerWaalsContact O-CD 3.23Å; L219-P222 WeakPolarHBondContact O-CD 3.38Å; L219-P222 WeakPolarHBondContact O-CG 3.31Å; P222-S225 PolarHBondContact O-N 2.95Å; P222-S225 PolarHBondContact O-OG 2.84Å; P222-G226 PolarHBondContact O-N 3.47Å; P222-R227 CarbonylContact C-O 3.59Å; P222-R227 HydrophobicContact CB-CB 4.09Å; P222-R227 HydrophobicContact CB-CG 4.38Å; P222-R227 PolarHBondContact O-N 2.79Å; P222-I229 HydrophobicContact CB-CG2 4.01Å; P222-I229 HydrophobicContact CG-CD1 3.81Å; P222-I229 HydrophobicContact CG-CG1 4.14Å; P222-I229 HydrophobicContact CG-CG2 4.09Å
223	L	96.4	Very high	96.7	Very high	19 Å²	19	28.5 Å²	28.5	10%	0.099	15%	0.145	C	C	.	.	H	α-helix	trans	-59.5	-53.9	-175.6	-68.8	168.3	0	0	0	112.9	L219 M220 S225 G226 R227 I229 L230	L219-L223 HydrophobicContact CB-CD1 4.34Å; L219-L223 WeakPolarHBondContact O-CB 3.39Å; L219-L223 WeakPolarHBondContact O-CD1 3.36Å; L219-L223 VanDerWaalsContact O-CG 3.25Å; L219-L223 WeakPolarHBondContact O-CG 3.41Å; L219-L223 PolarHBondContact O-N 3.46Å; M220-L223 HydrophobicContact SD-CB 4.01Å; M220-L223 HydrophobicContact SD-CD1 4.09Å; L223-S225 PolarHBondContact O-N 3.31Å; L223-G226 PolarHBondContact O-N 3Å; L223-R227 VanDerWaalsContact CA-O 3.32Å; L223-R227 WeakPolarHBondContact CA-O 3.42Å; L223-R227 PolarHBondContact N-O 3.42Å; L223-I229 HydrophobicContact CD1-CG1 4.29Å; L223-I229 HydrophobicContact CD2-CG1 3.62Å; L223-I229 HydrophobicContact CG-CD1 4.25Å; L223-I229 HydrophobicContact CG-CG1 3.66Å; L223-L230 HydrophobicContact CD1-CD1 3.65Å; L223-L230 HydrophobicContact CD1-CG 3.88Å; L223-L230 HydrophobicContact CD2-CB 4.43Å; L223-L230 HydrophobicContact CD2-CG 4.1Å
224	G	92.6	Very high	96.7	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.01	16%	0.164	C	C	.	.	H	α-helix	trans	-62.8	-25.2	-178.7	0	0	0	0	0	112.5	M220 L258 R262	M220-G224 WeakPolarHBondContact O-CA 3.36Å; M220-G224 PolarHBondContact O-N 3.07Å; G224-L258 CarbonylContact O-C 3.55Å; G224-L258 VanDerWaalsContact O-O 3.1Å; G224-R262 VanDerWaalsContact O-CB 3.31Å; G224-R262 WeakPolarHBondContact O-CB 3.31Å
225	S	88.1	Confident	96.6	Very high	1 Å²	1	34.7 Å²	34.7	1%	0.007	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-2.7	177.3	79	0	0	0	0	114.9	Q221 P222 L223 R265	Q221-S225 WeakPolarHBondContact O-CB 3.37Å; Q221-S225 PolarHBondContact O-OG 3.11Å; Q221-S225 VanDerWaalsContact O-OG 3.07Å; P222-S225 PolarHBondContact O-N 2.95Å; P222-S225 PolarHBondContact O-OG 2.84Å; L223-S225 PolarHBondContact O-N 3.31Å; S225-R265 PolarHBondContact O-NH1 3.38Å
226	G	91.8	Very high	96.6	Very high	36 Å²	36	34.7 Å²	34.7	37%	0.371	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	114.2	-1.6	171.5	0	0	0	0	0	116.5	P222 L223	P222-G226 PolarHBondContact O-N 3.47Å; L223-G226 PolarHBondContact O-N 3Å
227	R	95.4	Very high	96.6	Very high	97 Å²	97	38.1 Å²	38.1	37%	0.366	20%	0.195	S	C	.	.			trans	-95.2	105.2	178.3	-178.8	59.5	50.4	-160.3	-7.9	110.3	V158 E162 L182 P222 L223 I229	V158-R227 HydrophobicContact CG1-CG 4.24Å; E162-R227 VanDerWaalsContact CD-NH2 3.32Å; E162-R227 IonicContact OE1-CZ 3.07Å; E162-R227 IonicContact OE1-NE 3.71Å; E162-R227 PolarHBondContact OE1-NE 3Å; E162-R227 IonicContact OE1-NH2 3.97Å; E162-R227 PolarHBondContact OE1-NH2 3.17Å; E162-R227 IonicContact OE2-CZ 3.61Å; E162-R227 IonicContact OE2-NE 3.46Å; E162-R227 PolarHBondContact OE2-NE 3.21Å; E162-R227 IonicContact OE2-NH2 3.44Å; L182-R227 HydrophobicContact CD2-CG 4.34Å; P222-R227 CarbonylContact C-O 3.59Å; P222-R227 HydrophobicContact CB-CB 4.09Å; P222-R227 HydrophobicContact CB-CG 4.38Å; P222-R227 PolarHBondContact O-N 2.79Å; L223-R227 VanDerWaalsContact CA-O 3.32Å; L223-R227 WeakPolarHBondContact CA-O 3.42Å; L223-R227 PolarHBondContact N-O 3.42Å; R227-I229 HydrophobicContact CG-CG2 3.86Å; R227-I229 PolarHBondContact O-N 3.45Å
228	D	96.3	Very high	96.6	Very high	93 Å²	93	44.2 Å²	44.2	50%	0.497	22%	0.218	S	C	.	.			trans	-76.3	87.6	178.1	-167.4	-1.7	0	0	0	112.2	L230 K231	D228-L230 VanDerWaalsContact C-N 3.27Å; D228-L230 PolarHBondContact OD1-N 3.3Å; D228-K231 PolarHBondContact OD1-N 3.15Å; D228-K231 VanDerWaalsContact OD1-N 3.16Å
229	I	97.5	Very high	96.6	Very high	21 Å²	21	44.1 Å²	44.1	11%	0.108	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-7	176.7	57.6	151.2	0	0	0	113.5	L185 L189 L219 P222 L223 R227	L185-I229 HydrophobicContact CD2-CB 4.44Å; L185-I229 HydrophobicContact CD2-CD1 4.17Å; L185-I229 HydrophobicContact CD2-CG2 3.87Å; L189-I229 HydrophobicContact CD1-CB 4.3Å; L189-I229 HydrophobicContact CD1-CD1 4.17Å; L189-I229 HydrophobicContact CD2-CD1 4.34Å; L219-I229 HydrophobicContact CB-CD1 4.19Å; L219-I229 HydrophobicContact CD2-CD1 3.92Å; P222-I229 HydrophobicContact CB-CG2 4.01Å; P222-I229 HydrophobicContact CG-CD1 3.81Å; P222-I229 HydrophobicContact CG-CG1 4.14Å; P222-I229 HydrophobicContact CG-CG2 4.09Å; L223-I229 HydrophobicContact CD1-CG1 4.29Å; L223-I229 HydrophobicContact CD2-CG1 3.62Å; L223-I229 HydrophobicContact CG-CD1 4.25Å; L223-I229 HydrophobicContact CG-CG1 3.66Å; R227-I229 HydrophobicContact CG-CG2 3.86Å; R227-I229 PolarHBondContact O-N 3.45Å
230	L	97.8	Very high	96.6	Very high	4 Å²	4	47.7 Å²	47.7	2%	0.021	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.2	0.4	-176.4	-60.1	-172.3	0	0	0	112.7	L189 L219 L223 D228 D232 R233 L236 Q237 R240	L189-L230 HydrophobicContact CD2-CD2 4.3Å; L219-L230 HydrophobicContact CD1-CD2 4.45Å; L223-L230 HydrophobicContact CD1-CD1 3.65Å; L223-L230 HydrophobicContact CD1-CG 3.88Å; L223-L230 HydrophobicContact CD2-CB 4.43Å; L223-L230 HydrophobicContact CD2-CG 4.1Å; D228-L230 VanDerWaalsContact C-N 3.27Å; D228-L230 PolarHBondContact OD1-N 3.3Å; L230-D232 PolarHBondContact O-N 2.82Å; L230-D232 VanDerWaalsContact O-N 3.1Å; L230-R233 PolarHBondContact O-N 3.19Å; L230-L236 HydrophobicContact CD1-CB 4.38Å; L230-L236 HydrophobicContact CD2-CB 3.86Å; L230-L236 HydrophobicContact CD2-CD1 3.88Å; L230-Q237 HydrophobicContact CB-CG 3.91Å; L230-Q237 WeakPolarHBondContact O-CG 3.44Å; L230-Q237 PolarHBondContact O-NE2 3.41Å; L230-R240 HydrophobicContact CD1-CB 4.41Å
231	K	96.2	Very high	96.6	Very high	143 Å²	143	50.1 Å²	50.1	62%	0.622	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-45.2	-46.2	-174	-174.9	-174.2	173.8	-169.3	0	113.5	D228 Q237	D228-K231 PolarHBondContact OD1-N 3.15Å; D228-K231 VanDerWaalsContact OD1-N 3.16Å; K231-Q237 PolarHBondContact O-NE2 3Å
232	D	96.1	Very high	96.7	Very high	137 Å²	137	53.6 Å²	53.6	73%	0.733	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.2	17.5	-175.7	-54.5	-50	0	0	0	112.9	L230 P234	L230-D232 PolarHBondContact O-N 2.82Å; L230-D232 VanDerWaalsContact O-N 3.1Å; D232-P234 WeakPolarHBondContact O-CD 3.22Å
233	R	98.1	Very high	96.7	Very high	26 Å²	26	53.6 Å²	53.6	10%	0.098	26%	0.261	C	S	.	.			trans	-124.2	72.3	-174.4	-61.3	-176	176.6	-86.5	-2.9	111.5	D186 E193 L230 Q235 L236 Q237	D186-R233 PolarHBondContact O-NH2 2.86Å; D186-R233 IonicContact OD1-CZ 3.6Å; D186-R233 IonicContact OD1-NE 3.74Å; D186-R233 IonicContact OD1-NH2 2.69Å; D186-R233 PolarHBondContact OD1-NH2 3.27Å; D186-R233 IonicContact OD2-NH2 3.71Å; D186-R233 PolarHBondContact OD2-NH2 3.3Å; E193-R233 IonicContact OE2-NH1 2.75Å; L230-R233 PolarHBondContact O-N 3.19Å; R233-Q235 PolarHBondContact O-N 3.34Å; R233-Q235 VanDerWaalsContact O-N 3.17Å; R233-L236 HydrophobicContact CB-CB 4.16Å; R233-L236 HydrophobicContact CB-CD1 4.16Å; R233-L236 HydrophobicContact CB-CG 4.36Å; R233-L236 PolarHBondContact O-N 2.88Å; R233-L236 VanDerWaalsContact O-N 3.14Å; R233-Q237 WeakPolarHBondContact O-CG 3.23Å; R233-Q237 PolarHBondContact O-N 3.09Å
234	P	98.1	Very high	96.8	Very high	64 Å²	64	55.2 Å²	55.2	42%	0.416	27%	0.268	S	S	.	.	H	α-helix	trans	-63	-26.9	-171.8	25.5	-35.6	0	0	0	113.8	D232 R238	D232-P234 WeakPolarHBondContact O-CD 3.22Å; P234-R238 WeakPolarHBondContact O-CG 3.14Å; P234-R238 PolarHBondContact O-N 3.02Å; P234-R238 VanDerWaalsContact O-N 3.08Å
235	Q	98	Very high	97.1	Very high	67 Å²	67	59.9 Å²	59.9	31%	0.313	30%	0.301	S	S	.	.	H	α-helix	trans	-67.8	-46.9	175.1	-57.4	-154	71.6	0	0	111.6	E193 L197 Q198 R233 R238 W239	E193-Q235 HydrophobicContact CG-CB 4.38Å; E193-Q235 WeakPolarHBondContact OE1-CB 3.25Å; E193-Q235 VanDerWaalsContact OE1-CD 3.25Å; E193-Q235 VanDerWaalsContact OE1-CG 3.24Å; E193-Q235 WeakPolarHBondContact OE1-CG 3.43Å; E193-Q235 PolarHBondContact OE1-NE2 3.4Å; L197-Q235 HydrophobicContact CD2-CB 4.17Å; Q198-Q235 PolarHBondContact O-OE1 3.05Å; R233-Q235 PolarHBondContact O-N 3.34Å; R233-Q235 VanDerWaalsContact O-N 3.17Å; Q235-R238 PolarHBondContact O-N 3.14Å; Q235-W239 WeakPolarHBondContact O-CB 3.21Å; Q235-W239 PolarHBondContact O-N 3.23Å
236	L	98.6	Very high	97.6	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-67.3	-35.4	176.6	-65.2	-178	0	0	0	112.1	L189 L192 E193 L197 L230 R233 W239 R240	L189-L236 HydrophobicContact CB-CD1 4.07Å; L189-L236 HydrophobicContact CD2-CD1 3.89Å; L189-L236 HydrophobicContact CG-CD1 4.5Å; L192-L236 HydrophobicContact CD2-CD2 4.03Å; L192-L236 HydrophobicContact CG-CD2 4.33Å; E193-L236 HydrophobicContact CB-CD2 4.44Å; L197-L236 HydrophobicContact CD2-CD2 3.77Å; L230-L236 HydrophobicContact CD1-CB 4.38Å; L230-L236 HydrophobicContact CD2-CB 3.86Å; L230-L236 HydrophobicContact CD2-CD1 3.88Å; R233-L236 HydrophobicContact CB-CB 4.16Å; R233-L236 HydrophobicContact CB-CD1 4.16Å; R233-L236 HydrophobicContact CB-CG 4.36Å; R233-L236 PolarHBondContact O-N 2.88Å; R233-L236 VanDerWaalsContact O-N 3.14Å; L236-W239 PolarHBondContact O-N 3.33Å; L236-R240 WeakPolarHBondContact O-CB 3.28Å; L236-R240 PolarHBondContact O-N 3.33Å
237	Q	98.6	Very high	97.9	Very high	73 Å²	73	59.6 Å²	59.6	34%	0.341	29%	0.294	S	S	.	.	H	α-helix	trans	-59	-49.5	171.9	-70	175.9	-9.3	0	0	111.3	L230 K231 R233 R240 S241	L230-Q237 HydrophobicContact CB-CG 3.91Å; L230-Q237 WeakPolarHBondContact O-CG 3.44Å; L230-Q237 PolarHBondContact O-NE2 3.41Å; K231-Q237 PolarHBondContact O-NE2 3Å; R233-Q237 WeakPolarHBondContact O-CG 3.23Å; R233-Q237 PolarHBondContact O-N 3.09Å; Q237-R240 PolarHBondContact O-N 2.98Å; Q237-S241 PolarHBondContact O-N 3.47Å; Q237-S241 PolarHBondContact O-OG 3.45Å
238	R	98.6	Very high	98	Very high	129 Å²	129	56.7 Å²	56.7	49%	0.487	29%	0.294	S	S	.	.	H	α-helix	trans	-63.1	-42.1	177.4	-73.8	-172.2	-65.7	-94.4	4.9	112.3	P234 Q235 S241 R242	P234-R238 WeakPolarHBondContact O-CG 3.14Å; P234-R238 PolarHBondContact O-N 3.02Å; P234-R238 VanDerWaalsContact O-N 3.08Å; Q235-R238 PolarHBondContact O-N 3.14Å; R238-S241 PolarHBondContact O-N 3.18Å; R238-R242 WeakPolarHBondContact O-CG 3.48Å; R238-R242 PolarHBondContact O-N 2.81Å
239	W	98.8	Very high	98	Very high	1 Å²	1	60 Å²	60	0%	0.004	31%	0.307	C	S	.	.	H	α-helix	trans	-59.3	-48.2	174.5	164.3	79.8	0	0	0	111.4	L197 L203 D212 A215 V216 L219 Q235 L236 S241 R242 V243	L197-W239 HydrophobicContact CD1-CB 3.96Å; L197-W239 HydrophobicContact CD1-CG 3.94Å; L197-W239 HydrophobicContact CD2-CB 3.68Å; L197-W239 HydrophobicContact CD2-CG 4.17Å; L203-W239 HydrophobicContact CD1-CZ2 3.94Å; L203-W239 HydrophobicContact CD2-CZ2 4.41Å; L203-W239 HydrophobicContact CG-CZ2 4.05Å; D212-W239 HydrophobicContact CB-CZ2 4.39Å; D212-W239 PolarHBondContact OD1-NE1 3.13Å; A215-W239 HydrophobicContact CB-CH2 3.59Å; A215-W239 HydrophobicContact CB-CZ2 3.7Å; V216-W239 HydrophobicContact CB-CH2 3.9Å; V216-W239 HydrophobicContact CB-CZ2 4.42Å; V216-W239 HydrophobicContact CG2-CH2 4.24Å; V216-W239 HydrophobicContact CG2-CZ3 4.43Å; L219-W239 HydrophobicContact CD1-CH2 4.44Å; L219-W239 HydrophobicContact CD1-CZ3 3.95Å; Q235-W239 WeakPolarHBondContact O-CB 3.21Å; Q235-W239 PolarHBondContact O-N 3.23Å; L236-W239 PolarHBondContact O-N 3.33Å; W239-S241 VanDerWaalsContact C-N 3.31Å; W239-S241 PolarHBondContact O-N 3.22Å; W239-R242 WeakPolarHBondContact O-CB 3.37Å; W239-R242 PolarHBondContact O-N 2.92Å; W239-R242 VanDerWaalsContact O-N 3.09Å; W239-V243 HydrophobicContact CD2-CG2 4.31Å; W239-V243 HydrophobicContact CZ2-CG2 4.04Å; W239-V243 WeakPolarHBondContact O-CG2 3.2Å; W239-V243 PolarHBondContact O-N 3.43Å
240	R	98.6	Very high	98	Very high	76 Å²	76	59.2 Å²	59.2	29%	0.287	30%	0.303	S	S	.	.	H	α-helix	trans	-56.9	-45.2	176.6	-169.5	-160.9	82.3	167.7	4.7	111.4	V216 L230 L236 Q237 R242 V243 Q244	V216-R240 HydrophobicContact CG2-CG 3.95Å; L230-R240 HydrophobicContact CD1-CB 4.41Å; L236-R240 WeakPolarHBondContact O-CB 3.28Å; L236-R240 PolarHBondContact O-N 3.33Å; Q237-R240 PolarHBondContact O-N 2.98Å; R240-R242 PolarHBondContact O-N 3.24Å; R240-V243 PolarHBondContact O-N 3.35Å; R240-Q244 WeakPolarHBondContact O-CB 3.42Å; R240-Q244 PolarHBondContact O-N 2.83Å
241	S	98.6	Very high	98	Very high	56 Å²	56	59.1 Å²	59.1	39%	0.392	30%	0.303	S	S	.	.	H	α-helix	trans	-60.9	-42.3	176.6	-68.3	0	0	0	0	112.1	Q237 R238 W239 Q244 S245	Q237-S241 PolarHBondContact O-N 3.47Å; Q237-S241 PolarHBondContact O-OG 3.45Å; R238-S241 PolarHBondContact O-N 3.18Å; W239-S241 VanDerWaalsContact C-N 3.31Å; W239-S241 PolarHBondContact O-N 3.22Å; S241-Q244 PolarHBondContact O-N 3.28Å; S241-S245 PolarHBondContact O-N 2.82Å; S241-S245 PolarHBondContact O-OG 3.36Å; S241-S245 VanDerWaalsContact O-OG 3.12Å
242	R	98.8	Very high	98	Very high	82 Å²	82	55.9 Å²	55.9	31%	0.309	29%	0.292	S	S	.	.	H	α-helix	trans	-62.6	-42.9	174.8	-73.1	-172.8	-64.6	-97.5	6.2	112.2	A201 F202 R238 W239 R240 S245 A246	A201-R242 PolarHBondContact O-NE 3.29Å; A201-R242 PolarHBondContact O-NH2 3.43Å; F202-R242 HydrophobicContact CE1-CB 4.01Å; F202-R242 HydrophobicContact CZ-CB 4.05Å; R238-R242 WeakPolarHBondContact O-CG 3.48Å; R238-R242 PolarHBondContact O-N 2.81Å; W239-R242 WeakPolarHBondContact O-CB 3.37Å; W239-R242 PolarHBondContact O-N 2.92Å; W239-R242 VanDerWaalsContact O-N 3.09Å; R240-R242 PolarHBondContact O-N 3.24Å; R242-S245 PolarHBondContact O-N 3.36Å; R242-A246 WeakPolarHBondContact O-CB 3.42Å; R242-A246 PolarHBondContact O-N 2.93Å
243	V	98.8	Very high	98	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-61.6	-48	176.2	174.5	0	0	0	0	110.7	F202 I208 D212 V216 W239 R240 S245 A246 V247	F202-V243 HydrophobicContact CD1-CG2 3.94Å; F202-V243 HydrophobicContact CE1-CG2 3.93Å; I208-V243 HydrophobicContact CD1-CG1 4.02Å; D212-V243 HydrophobicContact CB-CG2 4.01Å; V216-V243 HydrophobicContact CB-CG1 3.91Å; V216-V243 HydrophobicContact CG1-CG1 3.7Å; V216-V243 HydrophobicContact CG2-CB 4.42Å; V216-V243 HydrophobicContact CG2-CG1 4.03Å; W239-V243 HydrophobicContact CD2-CG2 4.31Å; W239-V243 HydrophobicContact CZ2-CG2 4.04Å; W239-V243 WeakPolarHBondContact O-CG2 3.2Å; W239-V243 PolarHBondContact O-N 3.43Å; R240-V243 PolarHBondContact O-N 3.35Å; V243-S245 VanDerWaalsContact C-N 3.35Å; V243-S245 PolarHBondContact O-N 3.44Å; V243-A246 PolarHBondContact O-N 2.88Å; V243-A246 VanDerWaalsContact O-N 3.14Å; V243-V247 VanDerWaalsContact O-CG2 3.27Å; V243-V247 WeakPolarHBondContact O-CG2 3.3Å; V243-V247 PolarHBondContact O-N 3.39Å; V243-V247 VanDerWaalsContact O-N 3.11Å
244	Q	98.6	Very high	98	Very high	52 Å²	52	52.3 Å²	52.3	24%	0.243	28%	0.275	C	S	.	.	H	α-helix	trans	-56.6	-47.1	175.9	-178.9	173.7	15.5	0	0	111.6	R240 S241 A246 V247 G248 F251	R240-Q244 WeakPolarHBondContact O-CB 3.42Å; R240-Q244 PolarHBondContact O-N 2.83Å; S241-Q244 PolarHBondContact O-N 3.28Å; Q244-A246 VanDerWaalsContact C-N 3.34Å; Q244-A246 PolarHBondContact O-N 2.7Å; Q244-V247 PolarHBondContact O-N 2.98Å; Q244-G248 PolarHBondContact O-N 3.03Å; Q244-F251 HydrophobicContact CB-CD1 4.26Å; Q244-F251 HydrophobicContact CB-CD2 4.04Å; Q244-F251 HydrophobicContact CB-CE1 4.42Å; Q244-F251 HydrophobicContact CB-CE2 4.2Å; Q244-F251 HydrophobicContact CB-CG 4.06Å; Q244-F251 HydrophobicContact CB-CZ 4.39Å; Q244-F251 HydrophobicContact CG-CB 4.08Å; Q244-F251 HydrophobicContact CG-CD1 3.71Å; Q244-F251 HydrophobicContact CG-CD2 4.24Å; Q244-F251 HydrophobicContact CG-CE1 4.17Å; Q244-F251 HydrophobicContact CG-CG 3.74Å
245	S	98.5	Very high	98	Very high	100 Å²	100	49.3 Å²	49.3	70%	0.699	26%	0.255	S	S	*	.	H	α-helix	trans	-62.7	-38	176.5	-62.5	0	0	0	0	113.1	S241 R242 V243 V247	S241-S245 PolarHBondContact O-N 2.82Å; S241-S245 PolarHBondContact O-OG 3.36Å; S241-S245 VanDerWaalsContact O-OG 3.12Å; R242-S245 PolarHBondContact O-N 3.36Å; V243-S245 VanDerWaalsContact C-N 3.35Å; V243-S245 PolarHBondContact O-N 3.44Å; S245-V247 VanDerWaalsContact C-N 3.35Å; S245-V247 PolarHBondContact O-N 3.3Å
246	A	98.3	Very high	97.9	Very high	26 Å²	26	48.4 Å²	48.4	22%	0.215	26%	0.259	C	S	.	.	H	α-helix	trans	-68.3	-32.8	-178.9	0	0	0	0	0	113	R68 F202 I208 R242 V243 Q244	R68-A246 PolarHBondContact NE-O 3.29Å; R68-A246 PolarHBondContact NH2-O 2.92Å; F202-A246 HydrophobicContact CZ-CB 4.42Å; I208-A246 HydrophobicContact CB-CB 4.36Å; I208-A246 HydrophobicContact CD1-CB 3.78Å; I208-A246 HydrophobicContact CG2-CB 4.19Å; R242-A246 WeakPolarHBondContact O-CB 3.42Å; R242-A246 PolarHBondContact O-N 2.93Å; V243-A246 PolarHBondContact O-N 2.88Å; V243-A246 VanDerWaalsContact O-N 3.14Å; Q244-A246 VanDerWaalsContact C-N 3.34Å; Q244-A246 PolarHBondContact O-N 2.7Å
247	V	98.3	Very high	97.7	Very high	4 Å²	4	51 Å²	51	2%	0.024	28%	0.275	C	S	.	.	H	α-helix	trans	-98	-12.7	-179.5	-59.7	0	0	0	0	114.2	I64 W129 I208 L213 V243 Q244 S245 S250 F251	I64-V247 HydrophobicContact CG2-CB 3.8Å; I64-V247 HydrophobicContact CG2-CG1 3.65Å; I64-V247 HydrophobicContact CG2-CG2 4.21Å; W129-V247 HydrophobicContact CH2-CG1 4.06Å; I208-V247 HydrophobicContact CD1-CG1 3.84Å; L213-V247 HydrophobicContact CD2-CG1 3.71Å; V243-V247 VanDerWaalsContact O-CG2 3.27Å; V243-V247 WeakPolarHBondContact O-CG2 3.3Å; V243-V247 PolarHBondContact O-N 3.39Å; V243-V247 VanDerWaalsContact O-N 3.11Å; Q244-V247 PolarHBondContact O-N 2.98Å; S245-V247 VanDerWaalsContact C-N 3.35Å; S245-V247 PolarHBondContact O-N 3.3Å; V247-S250 PolarHBondContact O-OG 3.29Å; V247-F251 HydrophobicContact CG2-CB 3.66Å; V247-F251 HydrophobicContact CG2-CD2 3.84Å; V247-F251 HydrophobicContact CG2-CG 4.24Å
248	G	97.3	Very high	97.5	Very high	36 Å²	36	47.5 Å²	47.5	37%	0.371	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.8	-142.3	175.2	0	0	0	0	0	113.2	Q244 S250 F251	Q244-G248 PolarHBondContact O-N 3.03Å; G248-S250 PolarHBondContact O-N 3.4Å; G248-S250 VanDerWaalsContact O-N 3.1Å; G248-F251 VanDerWaalsContact O-CB 3.27Å; G248-F251 WeakPolarHBondContact O-CB 3.2Å; G248-F251 PolarHBondContact O-N 3.33Å
249	E	95.6	Very high	97.3	Very high	163 Å²	163	43.3 Å²	43.3	76%	0.762	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-30.9	-175.6	-64.8	176.9	173.5	0	0	113.5	F251 D252 D253	E249-F251 PolarHBondContact O-N 2.81Å; E249-D252 PolarHBondContact O-N 3.24Å; E249-D253 PolarHBondContact O-N 3.21Å; E249-D253 VanDerWaalsContact O-N 3.14Å
250	S	97.2	Very high	97.1	Very high	5 Å²	5	45 Å²	45	4%	0.035	26%	0.258	C	S	.	.	H	α-helix	trans	-58.4	-22.9	177.2	69	0	0	0	0	113.4	V247 G248 A254	V247-S250 PolarHBondContact O-OG 3.29Å; G248-S250 PolarHBondContact O-N 3.4Å; G248-S250 VanDerWaalsContact O-N 3.1Å; S250-A254 WeakPolarHBondContact O-CB 3.5Å; S250-A254 PolarHBondContact O-N 3.28Å; S250-A254 VanDerWaalsContact O-N 3.15Å
251	F	98.3	Very high	96.7	Very high	2 Å²	2	42 Å²	42	1%	0.009	25%	0.248	C	C	.	.	H	α-helix	trans	-63.7	-53.1	172.7	-167.8	-91.8	0	0	0	111.7	V216 M220 Q244 V247 G248 E249 H255	V216-F251 HydrophobicContact CG1-CE2 4.15Å; V216-F251 HydrophobicContact CG2-CE2 3.66Å; V216-F251 HydrophobicContact CG2-CZ 4.14Å; M220-F251 HydrophobicContact CE-CE1 3.99Å; M220-F251 HydrophobicContact CE-CZ 4.12Å; M220-F251 HydrophobicContact CG-CZ 3.85Å; M220-F251 HydrophobicContact SD-CE1 4.3Å; M220-F251 HydrophobicContact SD-CZ 3.87Å; Q244-F251 HydrophobicContact CB-CD1 4.26Å; Q244-F251 HydrophobicContact CB-CD2 4.04Å; Q244-F251 HydrophobicContact CB-CE1 4.42Å; Q244-F251 HydrophobicContact CB-CE2 4.2Å; Q244-F251 HydrophobicContact CB-CG 4.06Å; Q244-F251 HydrophobicContact CB-CZ 4.39Å; Q244-F251 HydrophobicContact CG-CB 4.08Å; Q244-F251 HydrophobicContact CG-CD1 3.71Å; Q244-F251 HydrophobicContact CG-CD2 4.24Å; Q244-F251 HydrophobicContact CG-CE1 4.17Å; Q244-F251 HydrophobicContact CG-CG 3.74Å; V247-F251 HydrophobicContact CG2-CB 3.66Å; V247-F251 HydrophobicContact CG2-CD2 3.84Å; V247-F251 HydrophobicContact CG2-CG 4.24Å; G248-F251 VanDerWaalsContact O-CB 3.27Å; G248-F251 WeakPolarHBondContact O-CB 3.2Å; G248-F251 PolarHBondContact O-N 3.33Å; E249-F251 PolarHBondContact O-N 2.81Å; F251-H255 AromaticContact CD1-ND1 3.88Å; F251-H255 AromaticContact CE1-ND1 3.86Å; F251-H255 AromaticContact CE2-CE1 3.85Å; F251-H255 AromaticContact CZ-CE1 3.99Å; F251-H255 AromaticContact CZ-ND1 3.98Å; F251-H255 PolarHBondContact O-N 3.08Å; F251-H255 PolarHBondContact O-ND1 3.3Å
252	D	96.3	Very high	96.3	Very high	74 Å²	74	42.2 Å²	42.2	40%	0.396	24%	0.241	S	C	.	.	H	α-helix	trans	-72.5	-38.8	-173.8	-68	-40.6	0	0	0	110.6	E249 A254 H255 A256	E249-D252 PolarHBondContact O-N 3.24Å; D252-A254 PolarHBondContact O-N 3.19Å; D252-H255 CarbonylContact O-C 3.21Å; D252-H255 PolarHBondContact O-N 2.88Å; D252-A256 PolarHBondContact O-N 2.86Å
253	D	96.3	Very high	95.9	Very high	89 Å²	89	41.8 Å²	41.8	48%	0.476	25%	0.245	S	C	.	.	H	α-helix	trans	-57.9	-48.2	175.1	-70	-18.6	0	0	0	111.8	E249 H255 A256	E249-D253 PolarHBondContact O-N 3.21Å; E249-D253 VanDerWaalsContact O-N 3.14Å; D253-H255 VanDerWaalsContact C-N 3.27Å; D253-H255 PolarHBondContact O-N 2.99Å; D253-A256 WeakPolarHBondContact O-CB 3.49Å; D253-A256 PolarHBondContact O-N 2.87Å
254	A	97.7	Very high	95.3	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-64.7	-32.5	-179.9	0	0	0	0	0	112.2	R60 I64 S250 D252	R60-A254 HydrophobicContact CB-CB 4.2Å; R60-A254 WeakPolarHBondContact CD-O 3.39Å; R60-A254 HydrophobicContact CG-CB 4.28Å; R60-A254 VanDerWaalsContact CG-O 3.3Å; R60-A254 WeakPolarHBondContact CG-O 3.37Å; I64-A254 HydrophobicContact CD1-CB 3.82Å; I64-A254 HydrophobicContact CG1-CB 3.51Å; S250-A254 WeakPolarHBondContact O-CB 3.5Å; S250-A254 PolarHBondContact O-N 3.28Å; S250-A254 VanDerWaalsContact O-N 3.15Å; D252-A254 PolarHBondContact O-N 3.19Å
255	H	98.3	Very high	94.6	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-96	-1.4	-176.6	-63.2	102.2	0	0	0	114.4	R60 M220 F251 D252 D253 V257 L258 F259	R60-H255 VanDerWaalsContact CD-CD2 3.47Å; R60-H255 WeakPolarHBondContact CD-CD2 3.5Å; R60-H255 PolarHBondContact NE-CD2 3.05Å; R60-H255 VanDerWaalsContact NE-CD2 3.33Å; R60-H255 PolarHBondContact NE-NE2 2.88Å; M220-H255 WeakPolarHBondContact CB-CD2 3.42Å; M220-H255 VanDerWaalsContact CB-NE2 3.29Å; M220-H255 WeakPolarHBondContact CB-NE2 3.46Å; M220-H255 HydrophobicContact CE-CB 4.27Å; F251-H255 AromaticContact CD1-ND1 3.88Å; F251-H255 AromaticContact CE1-ND1 3.86Å; F251-H255 AromaticContact CE2-CE1 3.85Å; F251-H255 AromaticContact CZ-CE1 3.99Å; F251-H255 AromaticContact CZ-ND1 3.98Å; F251-H255 PolarHBondContact O-N 3.08Å; F251-H255 PolarHBondContact O-ND1 3.3Å; D252-H255 CarbonylContact O-C 3.21Å; D252-H255 PolarHBondContact O-N 2.88Å; D253-H255 VanDerWaalsContact C-N 3.27Å; D253-H255 PolarHBondContact O-N 2.99Å; H255-V257 VanDerWaalsContact C-N 3.25Å; H255-V257 PolarHBondContact O-N 3.41Å; H255-V257 VanDerWaalsContact O-N 3.14Å; H255-L258 WeakPolarHBondContact O-CB 3.46Å; H255-L258 PolarHBondContact O-N 3.35Å; H255-F259 HydrophobicContact CB-CD2 4.42Å; H255-F259 HydrophobicContact CB-CE1 4.15Å; H255-F259 HydrophobicContact CB-CE2 3.75Å; H255-F259 HydrophobicContact CB-CZ 3.6Å; H255-F259 PolarHBondContact O-N 3.36Å; H255-F259 VanDerWaalsContact O-N 3.15Å
256	A	96.6	Very high	93.8	Very high	48 Å²	48	53.4 Å²	53.4	40%	0.397	27%	0.271	S	S	.	.	H	α-helix	trans	-53.1	-39	-176.1	0	0	0	0	0	113.6	D252 D253 L258 F259 A260	D252-A256 PolarHBondContact O-N 2.86Å; D253-A256 WeakPolarHBondContact O-CB 3.49Å; D253-A256 PolarHBondContact O-N 2.87Å; A256-L258 VanDerWaalsContact C-N 3.32Å; A256-L258 PolarHBondContact O-N 3.4Å; A256-F259 PolarHBondContact O-N 3.36Å; A256-A260 WeakPolarHBondContact O-CB 3.45Å; A256-A260 PolarHBondContact O-N 2.73Å
257	V	94.6	Very high	93	Very high	54 Å²	54	56.2 Å²	56.2	33%	0.327	29%	0.294	S	S	.	.	H	α-helix	trans	-62.1	-39.2	177	177	0	0	0	0	111.7	L54 L55 H255 V261	L54-V257 HydrophobicContact CB-CG2 3.95Å; L55-V257 HydrophobicContact CB-CG1 4.34Å; L55-V257 HydrophobicContact CD1-CG1 4.21Å; H255-V257 VanDerWaalsContact C-N 3.25Å; H255-V257 PolarHBondContact O-N 3.41Å; H255-V257 VanDerWaalsContact O-N 3.14Å; V257-V261 WeakPolarHBondContact O-CG2 3.27Å; V257-V261 PolarHBondContact O-N 2.73Å; V257-V261 VanDerWaalsContact O-N 3.1Å
258	L	93.9	Very high	91.8	Very high	0 Å²	0	66 Å²	66	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-69.9	-41.6	178.2	-60.7	-174.8	0	0	0	111.5	L55 F159 M220 G224 H255 A256 A260 V261 R262	L55-L258 HydrophobicContact CD1-CD2 4.07Å; F159-L258 HydrophobicContact CE2-CD2 4.15Å; F159-L258 HydrophobicContact CZ-CD2 4.42Å; M220-L258 WeakPolarHBondContact O-CD1 3.39Å; G224-L258 CarbonylContact O-C 3.55Å; G224-L258 VanDerWaalsContact O-O 3.1Å; H255-L258 WeakPolarHBondContact O-CB 3.46Å; H255-L258 PolarHBondContact O-N 3.35Å; A256-L258 VanDerWaalsContact C-N 3.32Å; A256-L258 PolarHBondContact O-N 3.4Å; L258-A260 VanDerWaalsContact C-N 3.35Å; L258-A260 PolarHBondContact O-N 3.05Å; L258-V261 WeakPolarHBondContact O-CB 3.34Å; L258-V261 PolarHBondContact O-N 3.07Å; L258-V261 VanDerWaalsContact O-N 3.12Å; L258-R262 PolarHBondContact O-N 2.82Å
259	F	94.9	Very high	90	Very high	41 Å²	41	74.2 Å²	74.2	18%	0.18	37%	0.365	C	S	.	.	H	α-helix	trans	-61.1	-44.6	176.1	-57.2	-31.4	0	0	0	111.3	M220 H255 A256 V261 R262 D263	M220-F259 HydrophobicContact CE-CE1 3.59Å; M220-F259 HydrophobicContact CE-CZ 3.76Å; H255-F259 HydrophobicContact CB-CD2 4.42Å; H255-F259 HydrophobicContact CB-CE1 4.15Å; H255-F259 HydrophobicContact CB-CE2 3.75Å; H255-F259 HydrophobicContact CB-CZ 3.6Å; H255-F259 PolarHBondContact O-N 3.36Å; H255-F259 VanDerWaalsContact O-N 3.15Å; A256-F259 PolarHBondContact O-N 3.36Å; F259-V261 VanDerWaalsContact C-N 3.27Å; F259-V261 PolarHBondContact O-N 3.35Å; F259-R262 WeakPolarHBondContact O-CB 3.43Å; F259-R262 PolarHBondContact O-N 3.39Å; F259-R262 VanDerWaalsContact O-N 3.13Å; F259-D263 PolarHBondContact O-N 2.81Å
260	A	93.5	Very high	89.8	Confident	37 Å²	37	69.8 Å²	69.8	31%	0.306	35%	0.345	S	S	.	.	H	α-helix	trans	-60.4	-36.1	174.3	0	0	0	0	0	112.6	A256 L258 R264	A256-A260 WeakPolarHBondContact O-CB 3.45Å; A256-A260 PolarHBondContact O-N 2.73Å; L258-A260 VanDerWaalsContact C-N 3.35Å; L258-A260 PolarHBondContact O-N 3.05Å; A260-R264 WeakPolarHBondContact O-CB 3.31Å; A260-R264 VanDerWaalsContact O-CG 3.25Å; A260-R264 WeakPolarHBondContact O-CG 3.33Å; A260-R264 PolarHBondContact O-N 2.9Å; A260-R264 VanDerWaalsContact O-N 3.11Å
261	V	90.1	Very high	89.4	Confident	12 Å²	12	73.2 Å²	73.2	7%	0.073	36%	0.362	C	S	.	.	H	α-helix	trans	-64.9	-46	174	167.4	0	0	0	0	111.3	V163 V257 L258 F259 R265	V163-V261 HydrophobicContact CG1-CG1 3.46Å; V163-V261 VanDerWaalsContact CG1-CG1 3.46Å; V257-V261 WeakPolarHBondContact O-CG2 3.27Å; V257-V261 PolarHBondContact O-N 2.73Å; V257-V261 VanDerWaalsContact O-N 3.1Å; L258-V261 WeakPolarHBondContact O-CB 3.34Å; L258-V261 PolarHBondContact O-N 3.07Å; L258-V261 VanDerWaalsContact O-N 3.12Å; F259-V261 VanDerWaalsContact C-N 3.27Å; F259-V261 PolarHBondContact O-N 3.35Å; V261-R265 WeakPolarHBondContact O-CG 2.97Å; V261-R265 PolarHBondContact O-N 3.25Å; V261-R265 VanDerWaalsContact O-N 3.15Å
262	R	90	Very high	88.9	Confident	61 Å²	61	77.1 Å²	77.1	23%	0.23	38%	0.381	C	S	.	.	H	α-helix	trans	-58.8	-48.6	176	177.6	-166.5	69.6	-158.5	-5.3	111.6	G224 L258 F259 R264 R265 R266	G224-R262 VanDerWaalsContact O-CB 3.31Å; G224-R262 WeakPolarHBondContact O-CB 3.31Å; L258-R262 PolarHBondContact O-N 2.82Å; F259-R262 WeakPolarHBondContact O-CB 3.43Å; F259-R262 PolarHBondContact O-N 3.39Å; F259-R262 VanDerWaalsContact O-N 3.13Å; R262-R264 PolarHBondContact O-N 3.2Å; R262-R265 WeakPolarHBondContact O-CB 3.35Å; R262-R265 PolarHBondContact O-N 2.97Å; R262-R265 VanDerWaalsContact O-N 3.11Å; R262-R266 PolarHBondContact O-N 3.35Å
263	D	90.1	Very high	88.4	Confident	74 Å²	74	77.3 Å²	77.3	40%	0.396	38%	0.38	S	S	.	.	H	α-helix	trans	-67.8	-38.9	-173	-61.1	-16.1	0	0	0	110.9	F259 R265 R266 A267	F259-D263 PolarHBondContact O-N 2.81Å; D263-R265 VanDerWaalsContact C-N 3.32Å; D263-R265 PolarHBondContact O-N 2.9Å; D263-R266 PolarHBondContact O-N 3.04Å; D263-A267 PolarHBondContact O-N 3.44Å
264	R	87.8	Confident	87.9	Confident	163 Å²	163	76.6 Å²	76.6	62%	0.615	37%	0.374	S	S	*	.	H	α-helix	trans	-62.4	-35.4	171.1	-73.2	175.2	-169.3	170.3	5.7	113.5	A260 R262 R268	A260-R264 WeakPolarHBondContact O-CB 3.31Å; A260-R264 VanDerWaalsContact O-CG 3.25Å; A260-R264 WeakPolarHBondContact O-CG 3.33Å; A260-R264 PolarHBondContact O-N 2.9Å; A260-R264 VanDerWaalsContact O-N 3.11Å; R262-R264 PolarHBondContact O-N 3.2Å; R264-R268 WeakPolarHBondContact O-CG 3.39Å
265	R	82.4	Confident	87.3	Confident	75 Å²	75	81.7 Å²	81.7	28%	0.283	40%	0.399	S	S	.	.	H	α-helix	trans	-69.4	-43.5	176	-73	173.3	75.9	-150.8	5.2	110.9	E162 S225 V261 R262 D263 A267 R268	E162-R265 PolarHBondContact O-NH2 3.17Å; E162-R265 IonicContact OE1-NH1 3.72Å; E162-R265 IonicContact OE1-NH2 3.29Å; E162-R265 PolarHBondContact OE1-NH2 3.08Å; S225-R265 PolarHBondContact O-NH1 3.38Å; V261-R265 WeakPolarHBondContact O-CG 2.97Å; V261-R265 PolarHBondContact O-N 3.25Å; V261-R265 VanDerWaalsContact O-N 3.15Å; R262-R265 WeakPolarHBondContact O-CB 3.35Å; R262-R265 PolarHBondContact O-N 2.97Å; R262-R265 VanDerWaalsContact O-N 3.11Å; D263-R265 VanDerWaalsContact C-N 3.32Å; D263-R265 PolarHBondContact O-N 2.9Å; R265-A267 VanDerWaalsContact C-N 3.32Å; R265-A267 PolarHBondContact O-N 3.1Å; R265-R268 PolarHBondContact O-N 3.43Å
266	R	83.4	Confident	86.5	Confident	157 Å²	157	87.5 Å²	87.5	59%	0.592	43%	0.428	S	S	*	.	H	α-helix	trans	-61	-39.3	177	-75.1	-179.8	172.1	-178.3	-4	112.3	R262 D263 R268 L269	R262-R266 PolarHBondContact O-N 3.35Å; D263-R266 PolarHBondContact O-N 3.04Å; R266-R268 PolarHBondContact O-N 3.39Å; R266-L269 PolarHBondContact O-N 3.26Å
267	A	80.6	Confident	85.7	Confident	86 Å²	86	90.5 Å²	90.5	71%	0.711	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-9.7	178.2	0	0	0	0	0	114.7	D263 R265	D263-A267 PolarHBondContact O-N 3.44Å; R265-A267 VanDerWaalsContact C-N 3.32Å; R265-A267 PolarHBondContact O-N 3.1Å
268	R	73.1	Confident	85	Confident	208 Å²	208	93.6 Å²	93.6	79%	0.785	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.8	-8.3	178.3	-69.8	175.3	178.6	-170.5	-2.6	113.3	R264 R265 R266	R264-R268 WeakPolarHBondContact O-CG 3.39Å; R265-R268 PolarHBondContact O-N 3.43Å; R266-R268 PolarHBondContact O-N 3.39Å
269	L	60.2	Low	84.2	Confident	209 Å²	209	102.1 Å²	102.1	100%	1.094	48%	0.479	S	S	*	.			trans	-93.4	0	175.1	-66.9	171.9	0	0	0	109.1	R266	R266-L269 PolarHBondContact O-N 3.26Å

Retrieved 269 of 269 residues in 55.2 ms (Link to these results)

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