A0A096NNG9_PAPAN Loading...

Guanine nucleotide-binding protein G(s) subunit alpha

Guanine nucleotide-binding proteins (G proteins) function as transducers in numerous signaling pathways controlled by G protein-coupled receptors (GPCRs).

AlphaFold DB (A0A590UJQ2), UniProt , Accession A0A096NNG9, Species PAPAN (Papio anubis, Olive baboon), Gene GNAS, Length 335 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	70.5	Confident	60.9	Low	24 Å²	24	58.1 Å²	58.1	12%	0.118	33%	0.333	C	S	.	.				0	147.5	0	-179.3	176.8	94	0	0	106.1	I3 V165 W175 F179 I185 F187 I217	M1-I3 HydrophobicContact CE-CD1 3.72Å; M1-I3 HydrophobicContact CE-CG1 3.58Å; M1-V165 HydrophobicContact CB-CG2 4.02Å; M1-V165 HydrophobicContact CE-CG2 4.3Å; M1-V165 VanDerWaalsContact O-CG2 3.3Å; M1-V165 WeakPolarHBondContact O-CG2 3.46Å; M1-V165 PolarHBondContact O-N 3.06Å; M1-W175 HydrophobicContact CB-CH2 4.05Å; M1-W175 HydrophobicContact CB-CZ2 4.18Å; M1-W175 HydrophobicContact CB-CZ3 4.46Å; M1-W175 HydrophobicContact CE-CD2 4.08Å; M1-W175 HydrophobicContact CE-CE3 3.71Å; M1-W175 HydrophobicContact CE-CZ3 4.08Å; M1-W175 HydrophobicContact SD-CE3 3.9Å; M1-W175 HydrophobicContact SD-CH2 4.14Å; M1-W175 HydrophobicContact SD-CZ3 3.62Å; M1-F179 HydrophobicContact CE-CE1 3.66Å; M1-F179 HydrophobicContact CE-CZ 3.97Å; M1-I185 HydrophobicContact CE-CG2 4.43Å; M1-I185 HydrophobicContact CG-CG2 3.98Å; M1-I185 HydrophobicContact SD-CG2 3.88Å; M1-F187 HydrophobicContact CG-CD2 4.41Å; M1-F187 HydrophobicContact SD-CD2 4.28Å; M1-I217 HydrophobicContact SD-CD1 4.12Å; M1-I217 HydrophobicContact SD-CG1 4.28Å
2	R	75	Confident	59.2	Low	104 Å²	104	67.6 Å²	67.6	39%	0.392	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	140.8	172.2	-65.1	-176.5	178.6	-177.3	1.1	109.7	M162 F163 D164 I186	R2-M162 HydrophobicContact CB-CG 4.43Å; R2-F163 CarbonylContact C-O 3.59Å; R2-F163 WeakPolarHBondContact CA-O 3.48Å; R2-D164 IonicContact NE-OD1 3.69Å; R2-I186 HydrophobicContact CB-CB 4.1Å; R2-I186 PolarHBondContact N-O 3.41Å; R2-I186 CarbonylContact O-C 3.51Å; R2-I186 PolarHBondContact O-N 3.16Å; R2-I186 VanDerWaalsContact O-O 3.07Å
3	I	73.1	Confident	58	Low	0 Å²	0	68.7 Å²	68.7	0%	0	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	132.2	179.5	-59.9	164.3	0	0	0	107.1	M1 M162 F163 V165 C178 F179 V182	M1-I3 HydrophobicContact CE-CD1 3.72Å; M1-I3 HydrophobicContact CE-CG1 3.58Å; I3-M162 WeakPolarHBondContact O-CA 3.35Å; I3-F163 HydrophobicContact CB-CB 4.2Å; I3-F163 PolarHBondContact N-O 3.05Å; I3-F163 PolarHBondContact O-N 2.83Å; I3-V165 HydrophobicContact CD1-CG1 4.07Å; I3-V165 HydrophobicContact CD1-CG2 4.32Å; I3-C178 HydrophobicContact CD1-CB 3.33Å; I3-F179 HydrophobicContact CD1-CD1 3.87Å; I3-F179 HydrophobicContact CD1-CE1 3.63Å; I3-F179 HydrophobicContact CG1-CE1 4.37Å; I3-V182 HydrophobicContact CG2-CB 4.24Å; I3-V182 HydrophobicContact CG2-CG1 3.69Å; I3-V182 HydrophobicContact CG2-CG2 3.51Å
4	L	71.4	Confident	56.6	Low	0 Å²	0	67.7 Å²	67.7	0%	0	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	126.2	-173.9	-169.7	71.9	0	0	0	111.3	V6 F160 M162 T183 A184 I324	L4-V6 HydrophobicContact CD2-CG2 4.39Å; L4-V6 HydrophobicContact CG-CG2 4.48Å; L4-F160 HydrophobicContact CD1-CB 4.34Å; L4-F160 HydrophobicContact CD1-CD1 4.07Å; L4-F160 HydrophobicContact CD2-CD1 4.06Å; L4-F160 HydrophobicContact CD2-CE1 4.38Å; L4-F160 HydrophobicContact CG-CD1 4.37Å; L4-M162 HydrophobicContact CD1-CB 4Å; L4-M162 HydrophobicContact CD1-CG 4.32Å; L4-T183 PolarHBondContact O-N 3.01Å; L4-A184 PolarHBondContact N-O 3.43Å; L4-A184 PolarHBondContact O-N 3.09Å; L4-A184 VanDerWaalsContact O-N 3.15Å; L4-I324 HydrophobicContact CD2-CD1 3.34Å; L4-I324 HydrophobicContact CD2-CG1 4.14Å; L4-I324 HydrophobicContact CD2-CG2 4.37Å
5	H	72.1	Confident	55.7	Low	24 Å²	24	75.7 Å²	75.7	11%	0.111	45%	0.451	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	132.7	170.3	-67	-152.2	0	0	0	108.1	H161 F163 N180	H5-H161 HydrophobicContact CB-CB 4.18Å; H5-H161 PolarHBondContact N-O 2.7Å; H5-H161 PolarHBondContact O-N 3.45Å; H5-F163 HydrophobicContact CB-CE2 4.35Å; H5-F163 AromaticContact CD2-CD2 3.95Å; H5-F163 AromaticContact CD2-CE2 3.54Å; H5-F163 AromaticContact CE1-CE2 3.76Å; H5-F163 AromaticContact CG-CE2 3.72Å; H5-F163 AromaticContact ND1-CE2 3.86Å; H5-F163 AromaticContact NE2-CE2 3.58Å; H5-N180 PolarHBondContact CE1-O 2.66Å
6	V	64.6	Low	54.8	Low	9 Å²	9	82.3 Å²	82.3	6%	0.055	48%	0.476	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	116.7	171.3	178.1	0	0	0	0	108.6	L4 V158 F160 T183 I324 H328	L4-V6 HydrophobicContact CD2-CG2 4.39Å; L4-V6 HydrophobicContact CG-CG2 4.48Å; V6-V158 HydrophobicContact CG1-CG1 3.66Å; V6-F160 HydrophobicContact CG2-CD1 3.77Å; V6-F160 HydrophobicContact CG2-CE1 3.8Å; V6-T183 HydrophobicContact CB-CG2 4.21Å; V6-T183 HydrophobicContact CG2-CG2 4.24Å; V6-T183 PolarHBondContact N-OG1 3.46Å; V6-I324 HydrophobicContact CB-CG2 4.3Å; V6-I324 HydrophobicContact CG2-CG2 3.29Å; V6-H328 PolarHBondContact O-CE1 3.42Å; V6-H328 PolarHBondContact O-ND1 3.49Å
7	N	60.4	Low	53.9	Low	87 Å²	87	83.1 Å²	83.1	47%	0.465	48%	0.477	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	128.6	171.7	-62.8	-33.2	0	0	0	106.8	N159	N7-N159 HydrophobicContact CB-CB 4.34Å; N7-N159 PolarHBondContact N-O 2.89Å; N7-N159 VanDerWaalsContact N-O 3.15Å
8	G	52.5	Low	53.1	Low	30 Å²	30	83.9 Å²	83.9	31%	0.309	49%	0.487	S	S	.	.			trans	-56.9	179	-172	0	0	0	0	0	115.5	N10	G8-N10 PolarHBondContact O-N 2.8Å; G8-N10 VanDerWaalsContact O-N 3.07Å
9	F	46.2	Very low	52.3	Low	146 Å²	146	87.8 Å²	87.8	64%	0.64	50%	0.5	S	S	*	.			trans	-62.1	107.8	178.4	-67.4	-84.5	0	0	0	110.8	K157 V158	F9-K157 HydrophobicContact CD1-CB 4.48Å; F9-V158 HydrophobicContact CD1-CG2 4.36Å; F9-V158 HydrophobicContact CE1-CG2 3.62Å; F9-V158 HydrophobicContact CE2-CG2 4.43Å; F9-V158 HydrophobicContact CZ-CG2 3.66Å
10	N	44.9	Very low	51.7	Low	129 Å²	129	87.6 Å²	87.6	69%	0.69	51%	0.509	S	S	*	.			trans	-82.4	121.8	163.8	-80.5	-5.9	0	0	0	108.5	G8 E12	G8-N10 PolarHBondContact O-N 2.8Å; G8-N10 VanDerWaalsContact O-N 3.07Å; N10-E12 PolarHBondContact O-N 2.76Å; N10-E12 VanDerWaalsContact O-N 3.14Å
11	G	38.9	Very low	51.1	Low	86 Å²	86	87.7 Å²	87.7	89%	0.887	52%	0.52	S	S	*	.	S	Bend	trans	-72.5	11.5	176.4	0	0	0	0	0	114.8
12	E	40.8	Very low	49.8	Very low	172 Å²	172	96.8 Å²	96.8	80%	0.804	55%	0.553	S	S	*	*	S	Bend	trans	-126.3	125.4	175.3	-67.3	-171.7	162	0	0	107.9	N10 G14	N10-E12 PolarHBondContact O-N 2.76Å; N10-E12 VanDerWaalsContact O-N 3.14Å; E12-G14 PolarHBondContact O-N 3.21Å
13	G	43.9	Very low	48.2	Very low	82 Å²	82	95 Å²	95	85%	0.845	56%	0.556	S	S	*	*			trans	-56	101.1	179.4	0	0	0	0	0	109.8	E15	G13-E15 PolarHBondContact O-N 3.1Å
14	G	38.1	Very low	47	Very low	55 Å²	55	100 Å²	100	57%	0.567	58%	0.584	S	S	*	*			trans	-61.8	117.4	161.1	0	0	0	0	0	106.3	E12 E16	E12-G14 PolarHBondContact O-N 3.21Å; G14-E16 PolarHBondContact O-N 3.3Å
15	E	42.6	Very low	46.3	Very low	188 Å²	188	102.8 Å²	102.8	88%	0.879	60%	0.603	S	S	*	*			trans	-43.7	126.4	167.1	-71.6	175.9	149.5	0	0	107.8	G13 D17	G13-E15 PolarHBondContact O-N 3.1Å; E15-D17 PolarHBondContact O-N 3.22Å
16	E	41.7	Very low	45.8	Very low	181 Å²	181	108 Å²	108	85%	0.846	63%	0.632	S	S	*	*			trans	-47.4	118.1	163	-74.2	-179	161.9	0	0	106.3	G14 P18	G14-E16 PolarHBondContact O-N 3.3Å; E16-P18 WeakPolarHBondContact O-CD 3.34Å; E16-P18 WeakPolarHBondContact O-CG 3.48Å
17	D	40.2	Very low	46	Very low	95 Å²	95	109.8 Å²	109.8	51%	0.508	65%	0.651	S	S	.	*			trans	-57.8	106.6	173.9	-175.6	-4.8	0	0	0	107	E15 Q19 A20	E15-D17 PolarHBondContact O-N 3.22Å; D17-Q19 PolarHBondContact O-N 2.97Å; D17-Q19 VanDerWaalsContact OD1-CB 3.24Å; D17-Q19 WeakPolarHBondContact OD1-CB 3.34Å; D17-Q19 PolarHBondContact OD1-N 3.44Å; D17-Q19 VanDerWaalsContact OD1-N 3.11Å; D17-A20 HydrophobicContact CB-CB 4.34Å; D17-A20 PolarHBondContact O-N 3.43Å
18	P	39.2	Very low	46.7	Very low	99 Å²	99	108.9 Å²	108.9	64%	0.643	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.2	-12.6	-174.4	-14.7	30.3	0	0	0	111	E16	E16-P18 WeakPolarHBondContact O-CD 3.34Å; E16-P18 WeakPolarHBondContact O-CG 3.48Å
19	Q	37.6	Very low	47.8	Very low	157 Å²	157	111.3 Å²	111.3	73%	0.734	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.8	-23.3	178.1	-115.3	147.1	2.1	0	0	113.2	D17 A21	D17-Q19 PolarHBondContact O-N 2.97Å; D17-Q19 VanDerWaalsContact OD1-CB 3.24Å; D17-Q19 WeakPolarHBondContact OD1-CB 3.34Å; D17-Q19 PolarHBondContact OD1-N 3.44Å; D17-Q19 VanDerWaalsContact OD1-N 3.11Å; Q19-A21 VanDerWaalsContact C-N 3.32Å; Q19-A21 PolarHBondContact O-N 3.3Å
20	A	40.5	Very low	49.5	Very low	83 Å²	83	107.3 Å²	107.3	69%	0.686	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.4	-23.1	175.7	0	0	0	0	0	113	D17	D17-A20 HydrophobicContact CB-CB 4.34Å; D17-A20 PolarHBondContact O-N 3.43Å
21	A	38.4	Very low	51.6	Low	90 Å²	90	105.1 Å²	105.1	74%	0.744	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.4	-0.3	178.2	0	0	0	0	0	113.8	Q19	Q19-A21 VanDerWaalsContact C-N 3.32Å; Q19-A21 PolarHBondContact O-N 3.3Å
22	R	43.8	Very low	54.1	Low	215 Å²	215	104.5 Å²	104.5	81%	0.811	61%	0.605	S	S	*	*			trans	-145.6	76.2	-178.8	-69.3	-174	177.5	175.9	0.6	112.4
23	S	42	Very low	56.7	Low	66 Å²	66	97.7 Å²	97.7	46%	0.462	58%	0.575	S	S	.	*			trans	-128.5	94.2	144.8	75.6	0	0	0	0	107.8	E28	S23-E28 VanDerWaalsContact CB-OE1 3.23Å; S23-E28 WeakPolarHBondContact CB-OE1 2.99Å; S23-E28 WeakPolarHBondContact CB-OE2 3.34Å; S23-E28 PolarHBondContact OG-OE1 3.06Å; S23-E28 PolarHBondContact OG-OE2 3.13Å
24	N	47.2	Very low	59.2	Low	107 Å²	107	97.4 Å²	97.4	57%	0.572	55%	0.551	S	S	*	*			trans	-122.3	49.6	166.7	-123.7	-11.6	0	0	0	105.6	K29	N24-K29 VanDerWaalsContact OD1-CE 3.24Å; N24-K29 WeakPolarHBondContact OD1-CE 3.45Å
25	S	56.6	Low	61.9	Low	58 Å²	58	97 Å²	97	41%	0.406	54%	0.536	S	S	.	.			trans	-62	143.1	174.8	70	0	0	0	0	107.9	G27 E28 K29	S25-G27 PolarHBondContact O-N 2.85Å; S25-G27 VanDerWaalsContact O-N 3.08Å; S25-E28 PolarHBondContact O-N 3.38Å; S25-E28 PolarHBondContact OG-N 2.83Å; S25-K29 PolarHBondContact O-N 3.45Å
26	D	62.6	Low	64.6	Low	134 Å²	134	88 Å²	88	72%	0.717	49%	0.494	S	S	*	.	H	α-helix	trans	-57.6	-26	177.7	-64.7	-34.2	0	0	0	111.3	A30	D26-A30 WeakPolarHBondContact O-CB 3.36Å; D26-A30 PolarHBondContact O-N 3.17Å
27	G	67.5	Low	67.2	Low	45 Å²	45	81.4 Å²	81.4	46%	0.464	46%	0.463	S	S	.	.	H	α-helix	trans	-63.8	-48	171.2	0	0	0	0	0	114	S25 K29 A30 T31	S25-G27 PolarHBondContact O-N 2.85Å; S25-G27 VanDerWaalsContact O-N 3.08Å; G27-K29 VanDerWaalsContact C-N 3.32Å; G27-K29 PolarHBondContact O-N 2.99Å; G27-A30 PolarHBondContact O-N 2.97Å; G27-T31 PolarHBondContact O-N 2.92Å; G27-T31 PolarHBondContact O-OG1 3.02Å; G27-T31 VanDerWaalsContact O-OG1 3.08Å
28	E	75.4	Confident	70	Confident	69 Å²	69	80 Å²	80	32%	0.322	46%	0.455	S	S	.	.	H	α-helix	trans	-65.4	-35.7	178	-80.6	169.7	-139.4	0	0	112.6	S23 S25 K32	S23-E28 VanDerWaalsContact CB-OE1 3.23Å; S23-E28 WeakPolarHBondContact CB-OE1 2.99Å; S23-E28 WeakPolarHBondContact CB-OE2 3.34Å; S23-E28 PolarHBondContact OG-OE1 3.06Å; S23-E28 PolarHBondContact OG-OE2 3.13Å; S25-E28 PolarHBondContact O-N 3.38Å; S25-E28 PolarHBondContact OG-N 2.83Å; E28-K32 VanDerWaalsContact O-CG 3.3Å; E28-K32 WeakPolarHBondContact O-CG 3.46Å; E28-K32 PolarHBondContact O-N 3.16Å; E28-K32 VanDerWaalsContact O-N 3.1Å
29	K	75.8	Confident	72.8	Confident	81 Å²	81	75.6 Å²	75.6	35%	0.352	43%	0.426	S	S	.	.	H	α-helix	trans	-65.5	-43.9	174.1	-69	178.6	-178.3	172.6	0	111.2	N24 S25 G27 K32 V33	N24-K29 VanDerWaalsContact OD1-CE 3.24Å; N24-K29 WeakPolarHBondContact OD1-CE 3.45Å; S25-K29 PolarHBondContact O-N 3.45Å; G27-K29 VanDerWaalsContact C-N 3.32Å; G27-K29 PolarHBondContact O-N 2.99Å; K29-K32 PolarHBondContact O-N 2.94Å; K29-V33 WeakPolarHBondContact O-CG2 3.49Å; K29-V33 PolarHBondContact O-N 3.03Å
30	A	81.4	Confident	75.7	Confident	62 Å²	62	68.1 Å²	68.1	51%	0.512	39%	0.391	S	S	.	.	H	α-helix	trans	-61.9	-42.7	177.1	0	0	0	0	0	112	D26 G27 K32 V33 Q34	D26-A30 WeakPolarHBondContact O-CB 3.36Å; D26-A30 PolarHBondContact O-N 3.17Å; G27-A30 PolarHBondContact O-N 2.97Å; A30-K32 PolarHBondContact O-N 2.85Å; A30-V33 PolarHBondContact O-N 3.27Å; A30-Q34 PolarHBondContact O-N 3.18Å
31	T	88.8	Confident	78.4	Confident	83 Å²	83	64.9 Å²	64.9	51%	0.509	36%	0.362	S	S	.	.	H	α-helix	trans	-59.6	-46.4	174.7	-54.9	0	0	0	0	111.7	G27 V33 Q34 D35	G27-T31 PolarHBondContact O-N 2.92Å; G27-T31 PolarHBondContact O-OG1 3.02Å; G27-T31 VanDerWaalsContact O-OG1 3.08Å; T31-V33 PolarHBondContact O-N 2.93Å; T31-Q34 WeakPolarHBondContact O-CB 3.49Å; T31-Q34 PolarHBondContact O-N 3.35Å; T31-Q34 VanDerWaalsContact O-N 3.13Å; T31-D35 PolarHBondContact O-N 3.43Å
32	K	92.1	Very high	81.3	Confident	73 Å²	73	63 Å²	63	32%	0.317	34%	0.338	S	S	.	.	H	α-helix	trans	-63.8	-38.7	179	-72.3	167.7	178.1	178.3	0	113	E28 K29 A30 Q34 D35 I36 L138	E28-K32 VanDerWaalsContact O-CG 3.3Å; E28-K32 WeakPolarHBondContact O-CG 3.46Å; E28-K32 PolarHBondContact O-N 3.16Å; E28-K32 VanDerWaalsContact O-N 3.1Å; K29-K32 PolarHBondContact O-N 2.94Å; A30-K32 PolarHBondContact O-N 2.85Å; K32-Q34 VanDerWaalsContact C-N 3.31Å; K32-D35 PolarHBondContact O-N 3.09Å; K32-I36 WeakPolarHBondContact O-CG1 3.41Å; K32-I36 PolarHBondContact O-N 3Å; K32-I36 VanDerWaalsContact O-N 3.16Å; K32-L138 HydrophobicContact CB-CD2 3.76Å; K32-L138 HydrophobicContact CD-CD1 4.16Å; K32-L138 HydrophobicContact CD-CD2 3.73Å; K32-L138 HydrophobicContact CG-CD2 3.96Å
33	V	95.7	Very high	83.9	Confident	29 Å²	29	52.8 Å²	52.8	18%	0.176	30%	0.299	C	S	.	.	H	α-helix	trans	-61	-44	173.3	169.8	0	0	0	0	110.3	K29 A30 T31 I36 K37 Y131 P133	K29-V33 WeakPolarHBondContact O-CG2 3.49Å; K29-V33 PolarHBondContact O-N 3.03Å; A30-V33 PolarHBondContact O-N 3.27Å; T31-V33 PolarHBondContact O-N 2.93Å; V33-I36 PolarHBondContact O-N 3.42Å; V33-K37 HydrophobicContact CG1-CD 4.17Å; V33-K37 HydrophobicContact CG1-CG 4.47Å; V33-K37 WeakPolarHBondContact O-CG 3.47Å; V33-K37 PolarHBondContact O-N 3.39Å; V33-Y131 HydrophobicContact CG1-CD1 4.24Å; V33-Y131 HydrophobicContact CG2-CD1 4.39Å; V33-P133 HydrophobicContact CG2-CG 3.55Å
34	Q	95.3	Very high	86.6	Confident	75 Å²	75	49.7 Å²	49.7	35%	0.35	28%	0.277	S	S	.	.	H	α-helix	trans	-61.7	-44.1	178.5	-169.8	60.7	43.3	0	0	111.8	A30 T31 K32 I36 K37 N38	A30-Q34 PolarHBondContact O-N 3.18Å; T31-Q34 WeakPolarHBondContact O-CB 3.49Å; T31-Q34 PolarHBondContact O-N 3.35Å; T31-Q34 VanDerWaalsContact O-N 3.13Å; K32-Q34 VanDerWaalsContact C-N 3.31Å; Q34-I36 VanDerWaalsContact C-N 3.33Å; Q34-I36 PolarHBondContact O-N 3.09Å; Q34-K37 PolarHBondContact O-N 3.16Å; Q34-N38 PolarHBondContact NE2-OD1 3.47Å; Q34-N38 VanDerWaalsContact NE2-OD1 3.1Å; Q34-N38 WeakPolarHBondContact O-CB 3.25Å; Q34-N38 PolarHBondContact O-N 2.79Å; Q34-N38 PolarHBondContact O-ND2 3.42Å
35	D	96.1	Very high	89	Confident	46 Å²	46	46 Å²	46	25%	0.246	26%	0.257	C	S	.	.	H	α-helix	trans	-60.8	-41	177.9	-66.9	-31.7	0	0	0	112.2	T31 K32 N38 N39 C141 V143	T31-D35 PolarHBondContact O-N 3.43Å; K32-D35 PolarHBondContact O-N 3.09Å; D35-N38 PolarHBondContact O-N 2.86Å; D35-N39 VanDerWaalsContact O-CG 3.32Å; D35-N39 PolarHBondContact O-N 3.12Å; D35-C141 VanDerWaalsContact CB-SG 3.58Å; D35-V143 HydrophobicContact CB-CG2 4.17Å
36	I	97.8	Very high	91	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-65.1	-45.3	176.3	-70.8	161.9	0	0	0	111.3	K32 V33 Q34 N38 N39 L40 F119 I126 Y131 P133 D137 L138 C141	K32-I36 WeakPolarHBondContact O-CG1 3.41Å; K32-I36 PolarHBondContact O-N 3Å; K32-I36 VanDerWaalsContact O-N 3.16Å; V33-I36 PolarHBondContact O-N 3.42Å; Q34-I36 VanDerWaalsContact C-N 3.33Å; Q34-I36 PolarHBondContact O-N 3.09Å; I36-N38 VanDerWaalsContact C-N 3.3Å; I36-N38 PolarHBondContact O-N 3.27Å; I36-N39 PolarHBondContact O-N 3.29Å; I36-L40 PolarHBondContact O-N 3.18Å; I36-F119 HydrophobicContact CB-CE1 4.45Å; I36-F119 HydrophobicContact CG1-CE1 4.18Å; I36-F119 HydrophobicContact CG1-CZ 4.09Å; I36-F119 HydrophobicContact CG2-CD1 3.85Å; I36-F119 HydrophobicContact CG2-CE1 3.63Å; I36-F119 HydrophobicContact CG2-CZ 4.16Å; I36-I126 HydrophobicContact CG2-CD1 4.11Å; I36-I126 HydrophobicContact CG2-CG1 4.38Å; I36-I126 HydrophobicContact CG2-CG2 4.39Å; I36-Y131 HydrophobicContact CG2-CE1 4.32Å; I36-P133 HydrophobicContact CD1-CB 3.55Å; I36-P133 HydrophobicContact CD1-CG 3.64Å; I36-D137 HydrophobicContact CD1-CB 3.81Å; I36-L138 HydrophobicContact CD1-CD2 4.3Å; I36-C141 HydrophobicContact CG1-CB 3.96Å
37	K	98	Very high	92.8	Very high	43 Å²	43	38.5 Å²	38.5	19%	0.187	21%	0.213	C	C	.	.	H	α-helix	trans	-61.1	-41.6	176	-73.3	-176.6	177.6	-160.3	0	111.2	V33 Q34 L40 K41 F83 Y88 I126	V33-K37 HydrophobicContact CG1-CD 4.17Å; V33-K37 HydrophobicContact CG1-CG 4.47Å; V33-K37 WeakPolarHBondContact O-CG 3.47Å; V33-K37 PolarHBondContact O-N 3.39Å; Q34-K37 PolarHBondContact O-N 3.16Å; K37-L40 PolarHBondContact O-N 3.5Å; K37-K41 PolarHBondContact O-N 2.86Å; K37-F83 HydrophobicContact CB-CD1 3.91Å; K37-F83 HydrophobicContact CB-CD2 4.28Å; K37-F83 HydrophobicContact CB-CE1 3.62Å; K37-F83 HydrophobicContact CB-CE2 4.08Å; K37-F83 HydrophobicContact CB-CG 4.23Å; K37-F83 HydrophobicContact CB-CZ 3.73Å; K37-F83 HydrophobicContact CD-CB 4.37Å; K37-F83 HydrophobicContact CD-CD1 4.39Å; K37-F83 HydrophobicContact CD-CD2 4.27Å; K37-F83 HydrophobicContact CD-CG 4.07Å; K37-F83 HydrophobicContact CG-CD1 4.47Å; K37-F83 WeakPolarHBondContact O-CE1 3.36Å; K37-Y88 VanDerWaalsContact CD-OH 3.28Å; K37-Y88 WeakPolarHBondContact CD-OH 3.34Å; K37-Y88 WeakPolarHBondContact CE-OH 3.35Å; K37-Y88 PolarHBondContact NZ-OH 3.43Å; K37-I126 HydrophobicContact CG-CG2 4.08Å
38	N	97.7	Very high	94.2	Very high	65 Å²	65	36.5 Å²	36.5	35%	0.348	19%	0.192	S	C	.	.	H	α-helix	trans	-61.9	-42	174.6	-69.4	-17.8	0	0	0	112	Q34 D35 I36 K41 E42 F83	Q34-N38 PolarHBondContact NE2-OD1 3.47Å; Q34-N38 VanDerWaalsContact NE2-OD1 3.1Å; Q34-N38 WeakPolarHBondContact O-CB 3.25Å; Q34-N38 PolarHBondContact O-N 2.79Å; Q34-N38 PolarHBondContact O-ND2 3.42Å; D35-N38 PolarHBondContact O-N 2.86Å; I36-N38 VanDerWaalsContact C-N 3.3Å; I36-N38 PolarHBondContact O-N 3.27Å; N38-K41 PolarHBondContact O-N 3.03Å; N38-E42 WeakPolarHBondContact O-CB 3.22Å; N38-E42 PolarHBondContact O-N 2.92Å; N38-F83 WeakPolarHBondContact OD1-CZ 3.3Å
39	N	98.2	Very high	95.3	Very high	6 Å²	6	34.5 Å²	34.5	3%	0.032	19%	0.187	C	C	.	.	H	α-helix	trans	-63.6	-40.3	174.8	-68.1	162.8	0	0	0	112.7	D35 I36 K41 E42 A43 I113 F119 C141 R142	D35-N39 VanDerWaalsContact O-CG 3.32Å; D35-N39 PolarHBondContact O-N 3.12Å; I36-N39 PolarHBondContact O-N 3.29Å; N39-K41 VanDerWaalsContact C-N 3.33Å; N39-E42 PolarHBondContact O-N 3.38Å; N39-A43 VanDerWaalsContact O-CB 3.28Å; N39-A43 WeakPolarHBondContact O-CB 3.13Å; N39-A43 PolarHBondContact O-N 2.88Å; N39-I113 HydrophobicContact CB-CD1 3.82Å; N39-I113 VanDerWaalsContact O-CD1 3.31Å; N39-I113 WeakPolarHBondContact O-CD1 3.27Å; N39-F119 HydrophobicContact CB-CD2 3.95Å; N39-F119 HydrophobicContact CB-CE2 3.97Å; N39-C141 WeakPolarHBondContact OD1-CA 3.33Å; N39-C141 PolarHBondContact OD1-SG 2.99Å; N39-R142 PolarHBondContact ND2-O 3.34Å; N39-R142 PolarHBondContact OD1-N 3.45Å
40	L	98.6	Very high	96.4	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-61.5	-43.8	175.9	-174.8	163.8	0	0	0	110.8	I36 K37 A43 I44 F87 F119 L120 I123 I126	I36-L40 PolarHBondContact O-N 3.18Å; K37-L40 PolarHBondContact O-N 3.5Å; L40-A43 PolarHBondContact O-N 3.32Å; L40-I44 PolarHBondContact O-N 3.45Å; L40-I44 VanDerWaalsContact O-N 3.14Å; L40-F87 HydrophobicContact CD2-CE1 3.62Å; L40-F87 HydrophobicContact CD2-CZ 3.68Å; L40-F119 HydrophobicContact CB-CB 4.31Å; L40-L120 HydrophobicContact CD2-CD2 4.45Å; L40-L120 HydrophobicContact CG-CD2 4.36Å; L40-I123 HydrophobicContact CD1-CG1 3.91Å; L40-I123 HydrophobicContact CD2-CG1 4.41Å; L40-I123 HydrophobicContact CG-CG1 4.33Å; L40-I126 HydrophobicContact CD1-CB 4.2Å; L40-I126 HydrophobicContact CD1-CD1 3.77Å; L40-I126 HydrophobicContact CD1-CG2 3.97Å
41	K	98.5	Very high	97.2	Very high	15 Å²	15	28.8 Å²	28.8	7%	0.065	15%	0.153	C	C	.	.	H	α-helix	trans	-63.5	-50.8	174.6	-177.3	176.1	-179.5	-63.1	0	112.6	K37 N38 N39 A43 I44 E45 V75 M76 F81 F83 F87	K37-K41 PolarHBondContact O-N 2.86Å; N38-K41 PolarHBondContact O-N 3.03Å; N39-K41 VanDerWaalsContact C-N 3.33Å; K41-A43 PolarHBondContact O-N 2.86Å; K41-I44 WeakPolarHBondContact O-CG2 3.43Å; K41-I44 PolarHBondContact O-N 2.95Å; K41-E45 IonicContact NZ-OE2 3.77Å; K41-E45 PolarHBondContact NZ-OE2 2.99Å; K41-E45 WeakPolarHBondContact O-CB 3.48Å; K41-E45 WeakPolarHBondContact O-CG 3.14Å; K41-E45 PolarHBondContact O-N 3.33Å; K41-V75 VanDerWaalsContact CE-O 3.28Å; K41-V75 WeakPolarHBondContact CE-O 3.38Å; K41-V75 PolarHBondContact NZ-O 3.27Å; K41-V75 VanDerWaalsContact NZ-O 3.08Å; K41-M76 PolarHBondContact NZ-O 2.71Å; K41-F81 HydrophobicContact CD-CB 4.33Å; K41-F81 HydrophobicContact CD-CD1 3.67Å; K41-F81 HydrophobicContact CD-CE1 4.21Å; K41-F81 HydrophobicContact CD-CG 4.12Å; K41-F83 HydrophobicContact CB-CE1 3.9Å; K41-F83 HydrophobicContact CB-CZ 4.26Å; K41-F83 HydrophobicContact CD-CE1 4.19Å; K41-F83 HydrophobicContact CD-CZ 4.13Å; K41-F87 HydrophobicContact CB-CE2 4.19Å; K41-F87 HydrophobicContact CB-CZ 3.73Å; K41-F87 HydrophobicContact CG-CE2 3.99Å; K41-F87 HydrophobicContact CG-CZ 4.06Å
42	E	98.1	Very high	97.6	Very high	52 Å²	52	29.2 Å²	29.2	24%	0.243	16%	0.159	C	C	.	.	H	α-helix	trans	-53.8	-42.1	175.5	-177.5	-175.2	168.6	0	0	110.5	N38 N39 E45 T46 I113 R199	N38-E42 WeakPolarHBondContact O-CB 3.22Å; N38-E42 PolarHBondContact O-N 2.92Å; N39-E42 PolarHBondContact O-N 3.38Å; E42-E45 WeakPolarHBondContact CA-OE1 3.36Å; E42-T46 WeakPolarHBondContact O-CB 3.36Å; E42-T46 PolarHBondContact O-N 3.27Å; E42-T46 VanDerWaalsContact O-N 3.07Å; E42-T46 PolarHBondContact O-OG1 3.48Å; E42-I113 HydrophobicContact CB-CD1 4.41Å; E42-I113 VanDerWaalsContact CD-CG2 3.48Å; E42-I113 HydrophobicContact CG-CG2 4.39Å; E42-I113 WeakPolarHBondContact OE1-CG2 3.32Å; E42-R199 IonicContact OE1-CZ 3.23Å; E42-R199 IonicContact OE1-NH2 3.46Å; E42-R199 PolarHBondContact OE1-NH2 3.34Å; E42-R199 VanDerWaalsContact OE1-NH2 3.1Å
43	A	98.6	Very high	97.8	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-62.9	-56.4	-179.9	0	0	0	0	0	112.4	N39 L40 K41 T46 I47 I113 A116 L120	N39-A43 VanDerWaalsContact O-CB 3.28Å; N39-A43 WeakPolarHBondContact O-CB 3.13Å; N39-A43 PolarHBondContact O-N 2.88Å; L40-A43 PolarHBondContact O-N 3.32Å; K41-A43 PolarHBondContact O-N 2.86Å; A43-T46 PolarHBondContact O-N 3.5Å; A43-I47 WeakPolarHBondContact O-CD1 3.49Å; A43-I47 VanDerWaalsContact O-CG1 3.23Å; A43-I47 WeakPolarHBondContact O-CG1 3.41Å; A43-I47 PolarHBondContact O-N 3.02Å; A43-I47 VanDerWaalsContact O-N 3.17Å; A43-I113 HydrophobicContact CB-CD1 4.28Å; A43-I113 HydrophobicContact CB-CG1 4.41Å; A43-A116 HydrophobicContact CB-CB 3.62Å; A43-L120 HydrophobicContact CB-CD1 4.03Å; A43-L120 HydrophobicContact CB-CG 4.24Å
44	I	98.8	Very high	97.9	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-67.7	-41.2	-175.6	-168.5	62.4	0	0	0	111.8	L40 K41 T46 I47 V48 I72 F87 A91 L94 V100 L120	L40-I44 PolarHBondContact O-N 3.45Å; L40-I44 VanDerWaalsContact O-N 3.14Å; K41-I44 WeakPolarHBondContact O-CG2 3.43Å; K41-I44 PolarHBondContact O-N 2.95Å; I44-T46 VanDerWaalsContact C-N 3.34Å; I44-T46 PolarHBondContact O-N 2.85Å; I44-I47 PolarHBondContact O-N 2.91Å; I44-V48 HydrophobicContact CD1-CG2 4.23Å; I44-V48 HydrophobicContact CG1-CG2 4.28Å; I44-V48 WeakPolarHBondContact O-CB 3.22Å; I44-V48 VanDerWaalsContact O-CG2 3.25Å; I44-V48 WeakPolarHBondContact O-CG2 3.27Å; I44-V48 PolarHBondContact O-N 3.21Å; I44-I72 HydrophobicContact CG2-CD1 4.3Å; I44-I72 HydrophobicContact CG2-CG2 4.44Å; I44-F87 HydrophobicContact CG2-CE2 4.24Å; I44-F87 HydrophobicContact CG2-CZ 4.3Å; I44-A91 HydrophobicContact CB-CB 4.39Å; I44-A91 HydrophobicContact CG1-CB 4.08Å; I44-A91 HydrophobicContact CG2-CB 4.11Å; I44-L94 HydrophobicContact CD1-CB 4.14Å; I44-V100 HydrophobicContact CD1-CG1 4.4Å; I44-L120 HydrophobicContact CB-CD2 3.92Å; I44-L120 HydrophobicContact CD1-CD2 4.42Å
45	E	98.3	Very high	98	Very high	30 Å²	30	33.2 Å²	33.2	14%	0.14	19%	0.19	C	C	.	.	H	α-helix	trans	-66.9	-38.6	-178.5	79.5	-167.1	176.3	0	0	111.3	K41 E42 A49 I72 M76	K41-E45 IonicContact NZ-OE2 3.77Å; K41-E45 PolarHBondContact NZ-OE2 2.99Å; K41-E45 WeakPolarHBondContact O-CB 3.48Å; K41-E45 WeakPolarHBondContact O-CG 3.14Å; K41-E45 PolarHBondContact O-N 3.33Å; E42-E45 WeakPolarHBondContact CA-OE1 3.36Å; E45-A49 WeakPolarHBondContact O-CB 3.37Å; E45-A49 PolarHBondContact O-N 2.62Å; E45-I72 HydrophobicContact CB-CG2 3.99Å; E45-M76 HydrophobicContact CB-CE 3.75Å; E45-M76 HydrophobicContact CB-CG 4.18Å; E45-M76 HydrophobicContact CG-CE 4.11Å; E45-M76 HydrophobicContact CG-CG 4Å; E45-M76 WeakPolarHBondContact O-CE 3.21Å; E45-M76 WeakPolarHBondContact OE2-CA 3.29Å; E45-M76 WeakPolarHBondContact OE2-CG 3.25Å
46	T	98.6	Very high	98	Very high	34 Å²	34	35.4 Å²	35.4	21%	0.209	21%	0.207	C	C	.	.	H	α-helix	trans	-65	-44.1	177.6	-62.6	0	0	0	0	111.2	E42 A43 I44 A50 Y110 L112	E42-T46 WeakPolarHBondContact O-CB 3.36Å; E42-T46 PolarHBondContact O-N 3.27Å; E42-T46 VanDerWaalsContact O-N 3.07Å; E42-T46 PolarHBondContact O-OG1 3.48Å; A43-T46 PolarHBondContact O-N 3.5Å; I44-T46 VanDerWaalsContact C-N 3.34Å; I44-T46 PolarHBondContact O-N 2.85Å; T46-A50 WeakPolarHBondContact O-CB 3.25Å; T46-A50 PolarHBondContact O-N 3.16Å; T46-Y110 HydrophobicContact CG2-CD2 3.86Å; T46-Y110 HydrophobicContact CG2-CE2 4.09Å; T46-L112 HydrophobicContact CG2-CD1 4.01Å
47	I	98.8	Very high	98	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-64.4	-48.2	179.6	-63.9	161	0	0	0	110	A43 I44 A49 A50 M51 W95 V100 C103 Y104 L112 L120	A43-I47 WeakPolarHBondContact O-CD1 3.49Å; A43-I47 VanDerWaalsContact O-CG1 3.23Å; A43-I47 WeakPolarHBondContact O-CG1 3.41Å; A43-I47 PolarHBondContact O-N 3.02Å; A43-I47 VanDerWaalsContact O-N 3.17Å; I44-I47 PolarHBondContact O-N 2.91Å; I47-A49 PolarHBondContact O-N 3.42Å; I47-A50 PolarHBondContact O-N 2.92Å; I47-M51 WeakPolarHBondContact O-CG 3.18Å; I47-M51 PolarHBondContact O-N 2.93Å; I47-W95 HydrophobicContact CD1-CZ3 3.85Å; I47-V100 HydrophobicContact CG2-CG1 3.76Å; I47-C103 HydrophobicContact CG2-CB 4.02Å; I47-C103 PolarHBondContact O-SG 3.36Å; I47-Y104 HydrophobicContact CD1-CD2 3.88Å; I47-Y104 HydrophobicContact CG1-CD2 4.5Å; I47-L112 HydrophobicContact CD1-CD1 4.29Å; I47-L112 HydrophobicContact CD1-CD2 4.1Å; I47-L112 HydrophobicContact CG1-CD1 3.88Å; I47-L112 HydrophobicContact CG1-CD2 3.92Å; I47-L120 HydrophobicContact CD1-CD1 3.83Å
48	V	98.6	Very high	98.1	Very high	4 Å²	4	37.7 Å²	37.7	2%	0.024	23%	0.225	C	C	.	.	H	α-helix	trans	-63.6	-43	-179.2	172.7	0	0	0	0	111.2	I44 A50 M51 V69 I72 L73 L94	I44-V48 HydrophobicContact CD1-CG2 4.23Å; I44-V48 HydrophobicContact CG1-CG2 4.28Å; I44-V48 WeakPolarHBondContact O-CB 3.22Å; I44-V48 VanDerWaalsContact O-CG2 3.25Å; I44-V48 WeakPolarHBondContact O-CG2 3.27Å; I44-V48 PolarHBondContact O-N 3.21Å; V48-A50 VanDerWaalsContact C-N 3.26Å; V48-A50 PolarHBondContact O-N 3.06Å; V48-M51 WeakPolarHBondContact O-CB 3.42Å; V48-M51 PolarHBondContact O-N 3.27Å; V48-V69 HydrophobicContact CG1-CB 4.14Å; V48-V69 HydrophobicContact CG1-CG1 3.63Å; V48-V69 HydrophobicContact CG1-CG2 4.02Å; V48-I72 HydrophobicContact CB-CG2 4.41Å; V48-I72 HydrophobicContact CG2-CG2 4.44Å; V48-L73 HydrophobicContact CG1-CD2 4.03Å; V48-L73 HydrophobicContact CG1-CG 4.08Å; V48-L94 HydrophobicContact CG2-CD1 4.11Å
49	A	98.3	Very high	98.1	Very high	27 Å²	27	41.4 Å²	41.4	22%	0.223	24%	0.241	C	C	.	.	H	α-helix	trans	-64.7	-29.9	176.3	0	0	0	0	0	113.3	E45 I47 N53 L73 M76	E45-A49 WeakPolarHBondContact O-CB 3.37Å; E45-A49 PolarHBondContact O-N 2.62Å; I47-A49 PolarHBondContact O-N 3.42Å; A49-N53 PolarHBondContact O-ND2 3.17Å; A49-L73 HydrophobicContact CB-CD2 4.07Å; A49-M76 HydrophobicContact CB-CE 3.65Å
50	A	98.5	Very high	98.1	Very high	9 Å²	9	42.2 Å²	42.2	7%	0.074	25%	0.245	C	C	.	.	H	α-helix	trans	-74.2	-26.3	179.7	0	0	0	0	0	112.8	T46 I47 V48 S52 N53 L54 Y110	T46-A50 WeakPolarHBondContact O-CB 3.25Å; T46-A50 PolarHBondContact O-N 3.16Å; I47-A50 PolarHBondContact O-N 2.92Å; V48-A50 VanDerWaalsContact C-N 3.26Å; V48-A50 PolarHBondContact O-N 3.06Å; A50-S52 VanDerWaalsContact C-N 3.32Å; A50-S52 PolarHBondContact O-N 2.96Å; A50-N53 PolarHBondContact O-N 3.35Å; A50-L54 WeakPolarHBondContact O-CG 3.22Å; A50-L54 PolarHBondContact O-N 3.17Å; A50-Y110 HydrophobicContact CB-CD1 3.6Å; A50-Y110 HydrophobicContact CB-CD2 3.94Å; A50-Y110 HydrophobicContact CB-CE1 3.62Å; A50-Y110 HydrophobicContact CB-CE2 3.96Å; A50-Y110 HydrophobicContact CB-CG 3.75Å
51	M	98.6	Very high	98.1	Very high	13 Å²	13	45.2 Å²	45.2	6%	0.064	27%	0.27	C	S	.	.	H	α-helix	trans	-50.1	-47.6	-173.7	-71.2	-176.5	73.2	0	0	113.4	I47 V48 P57 V58 L60 V100 C103	I47-M51 WeakPolarHBondContact O-CG 3.18Å; I47-M51 PolarHBondContact O-N 2.93Å; V48-M51 WeakPolarHBondContact O-CB 3.42Å; V48-M51 PolarHBondContact O-N 3.27Å; M51-P57 WeakPolarHBondContact O-CA 3.44Å; M51-V58 WeakPolarHBondContact CB-O 3.49Å; M51-V58 HydrophobicContact CE-CG1 4.39Å; M51-V58 WeakPolarHBondContact CE-O 3.09Å; M51-V58 PolarHBondContact O-N 2.93Å; M51-L60 HydrophobicContact CE-CD2 4.07Å; M51-L60 HydrophobicContact CE-CG 4.27Å; M51-V100 HydrophobicContact CE-CG2 4.25Å; M51-V100 HydrophobicContact SD-CG2 3.82Å; M51-C103 HydrophobicContact CG-CB 3.75Å
52	S	97.4	Very high	98.1	Very high	93 Å²	93	47.6 Å²	47.6	65%	0.65	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82	-17.1	179.8	58.3	0	0	0	0	114.4	A50	A50-S52 VanDerWaalsContact C-N 3.32Å; A50-S52 PolarHBondContact O-N 2.96Å
53	N	96.6	Very high	98.1	Very high	126 Å²	126	49.9 Å²	49.9	67%	0.674	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.4	-16.5	-177.1	-70.2	-50.8	0	0	0	113.2	A49 A50	A49-N53 PolarHBondContact O-ND2 3.17Å; A50-N53 PolarHBondContact O-N 3.35Å
54	L	97	Very high	98.1	Very high	11 Å²	11	57 Å²	57	6%	0.058	34%	0.336	C	S	.	.	S	Bend	trans	-63.9	153	172.8	-76.7	176.1	0	0	0	111.2	A50 P56 P57 V58 C103 R106 E109 Y110	A50-L54 WeakPolarHBondContact O-CG 3.22Å; A50-L54 PolarHBondContact O-N 3.17Å; L54-P56 VanDerWaalsContact C-C 3.45Å; L54-P56 CarbonylContact C-O 3.47Å; L54-P56 VanDerWaalsContact C-O 3.29Å; L54-P56 WeakPolarHBondContact CB-O 3.36Å; L54-P56 CarbonylContact O-C 3.59Å; L54-P57 VanDerWaalsContact O-CA 3.26Å; L54-P57 WeakPolarHBondContact O-CA 3.35Å; L54-V58 HydrophobicContact CD1-CG2 3.77Å; L54-C103 HydrophobicContact CD1-CB 4.45Å; L54-R106 HydrophobicContact CD1-CB 4.13Å; L54-E109 HydrophobicContact CD2-CB 3.64Å; L54-E109 HydrophobicContact CD2-CG 4.36Å; L54-E109 WeakPolarHBondContact CD2-OE2 3.42Å; L54-Y110 HydrophobicContact CD1-CE1 4.28Å; L54-Y110 HydrophobicContact CD2-CD1 3.94Å; L54-Y110 HydrophobicContact CD2-CE1 4.22Å
55	V	96.3	Very high	98.1	Very high	124 Å²	124	58 Å²	58	75%	0.752	34%	0.341	S	S	*	.	S	Bend	trans	-124.3	109.3	176.6	-176.9	0	0	0	0	109.2	R106	V55-R106 PolarHBondContact O-NH2 3.19Å; V55-R106 VanDerWaalsContact O-NH2 3.11Å
56	P	97.6	Very high	98.1	Very high	92 Å²	92	60.8 Å²	60.8	60%	0.597	35%	0.354	S	S	*	.	S	Bend	cis	-66.2	157.9	-7.3	30.9	-35.8	0	0	0	112.1	L54 R106	L54-P56 VanDerWaalsContact C-C 3.45Å; L54-P56 CarbonylContact C-O 3.47Å; L54-P56 VanDerWaalsContact C-O 3.29Å; L54-P56 WeakPolarHBondContact CB-O 3.36Å; L54-P56 CarbonylContact O-C 3.59Å; P56-R106 PolarHBondContact O-NH1 2.94Å; P56-R106 PolarHBondContact O-NH2 3.38Å
57	P	98	Very high	98.1	Very high	70 Å²	70	64.2 Å²	64.2	46%	0.455	37%	0.366	S	S	.	.			trans	-65.5	161.5	175.4	28.3	-35.1	0	0	0	111	M51 L54	M51-P57 WeakPolarHBondContact O-CA 3.44Å; L54-P57 VanDerWaalsContact O-CA 3.26Å; L54-P57 WeakPolarHBondContact O-CA 3.35Å
58	V	98.4	Very high	98.1	Very high	21 Å²	21	66.8 Å²	66.8	13%	0.127	38%	0.376	C	S	.	.			trans	-114.4	124.7	176.6	-175.6	0	0	0	0	108.4	M51 L54 G99 A102 C103	M51-V58 WeakPolarHBondContact CB-O 3.49Å; M51-V58 HydrophobicContact CE-CG1 4.39Å; M51-V58 WeakPolarHBondContact CE-O 3.09Å; M51-V58 PolarHBondContact O-N 2.93Å; L54-V58 HydrophobicContact CD1-CG2 3.77Å; V58-G99 WeakPolarHBondContact CG1-O 3.47Å; V58-A102 HydrophobicContact CG1-CB 4.15Å; V58-C103 HydrophobicContact CB-CB 4.37Å; V58-C103 HydrophobicContact CG1-CB 4.36Å
59	E	98.3	Very high	98.1	Very high	143 Å²	143	67.3 Å²	67.3	67%	0.668	38%	0.379	S	S	*	.			trans	-90.5	159.5	177.2	-60.6	-61.7	150.7	0	0	110.9	G99	E59-G99 WeakPolarHBondContact O-CA 3.46Å
60	L	98.7	Very high	98.1	Very high	23 Å²	23	70.1 Å²	70.1	12%	0.12	39%	0.39	C	S	.	.			trans	-61.3	140.6	169.3	-72.7	169	0	0	0	110.6	M51 N65 Q66 V69 L94 V100	M51-L60 HydrophobicContact CE-CD2 4.07Å; M51-L60 HydrophobicContact CE-CG 4.27Å; L60-N65 HydrophobicContact CD1-CB 4.07Å; L60-N65 HydrophobicContact CD2-CB 4.25Å; L60-Q66 HydrophobicContact CD1-CB 4.4Å; L60-V69 HydrophobicContact CD1-CG2 3.85Å; L60-V69 HydrophobicContact CD2-CG2 3.94Å; L60-V69 HydrophobicContact CG-CG2 4.24Å; L60-L94 HydrophobicContact CD2-CD2 4.05Å; L60-V100 HydrophobicContact CD2-CG2 3.9Å
61	A	98.5	Very high	98.1	Very high	63 Å²	63	71.9 Å²	71.9	52%	0.521	40%	0.395	S	S	.	.	S	Bend	trans	-70.6	-37.8	170.4	0	0	0	0	0	111	D97 E98	A61-D97 WeakPolarHBondContact CB-OD1 3.35Å; A61-D97 PolarHBondContact N-OD1 2.96Å; A61-E98 HydrophobicContact CB-CB 3.78Å
62	N	98.2	Very high	98.1	Very high	64 Å²	64	71.3 Å²	71.3	34%	0.342	39%	0.392	S	S	.	.	S	Bend	trans	-111.5	107.8	171	-175.6	3.3	0	0	0	111.3	E64 N65 D97	N62-E64 PolarHBondContact O-N 3.1Å; N62-E64 VanDerWaalsContact O-N 3.09Å; N62-E64 WeakPolarHBondContact OD1-CB 3.34Å; N62-E64 WeakPolarHBondContact OD1-CG 3.33Å; N62-E64 PolarHBondContact OD1-N 3.02Å; N62-N65 WeakPolarHBondContact O-CB 3.41Å; N62-N65 PolarHBondContact O-N 3.32Å; N62-D97 PolarHBondContact N-OD2 3.4Å
63	P	97.9	Very high	98.1	Very high	100 Å²	100	70.3 Å²	70.3	65%	0.649	38%	0.379	S	S	*	.	G	3₁₀ helix	trans	-58.5	-22.2	176.8	-25	34.6	0	0	0	114.6	N65 Q66	P63-N65 PolarHBondContact O-N 2.87Å; P63-N65 VanDerWaalsContact O-N 3.17Å; P63-Q66 WeakPolarHBondContact O-CB 3.38Å; P63-Q66 PolarHBondContact O-N 2.89Å; P63-Q66 VanDerWaalsContact O-N 3.09Å
64	E	98.3	Very high	98.2	Very high	151 Å²	151	68.4 Å²	68.4	71%	0.706	38%	0.376	S	S	*	.	G	3₁₀ helix	trans	-64.1	-16.3	174.6	-61.4	-177.7	165.7	0	0	112.6	N62 Q66 F67	N62-E64 PolarHBondContact O-N 3.1Å; N62-E64 VanDerWaalsContact O-N 3.09Å; N62-E64 WeakPolarHBondContact OD1-CB 3.34Å; N62-E64 WeakPolarHBondContact OD1-CG 3.33Å; N62-E64 PolarHBondContact OD1-N 3.02Å; E64-Q66 VanDerWaalsContact C-N 3.25Å; E64-Q66 PolarHBondContact O-N 2.96Å; E64-F67 WeakPolarHBondContact O-CD1 3.3Å; E64-F67 WeakPolarHBondContact O-CE1 3.21Å
65	N	98.6	Very high	98.2	Very high	19 Å²	19	68.6 Å²	68.6	10%	0.102	38%	0.378	C	S	.	.	G	3₁₀ helix	trans	-78.7	-1.9	174.1	-74.9	-32.6	0	0	0	113.8	L60 N62 P63 F67 R68 V69 L94 D97	L60-N65 HydrophobicContact CD1-CB 4.07Å; L60-N65 HydrophobicContact CD2-CB 4.25Å; N62-N65 WeakPolarHBondContact O-CB 3.41Å; N62-N65 PolarHBondContact O-N 3.32Å; P63-N65 PolarHBondContact O-N 2.87Å; P63-N65 VanDerWaalsContact O-N 3.17Å; N65-F67 VanDerWaalsContact C-N 3.32Å; N65-F67 PolarHBondContact O-N 3.16Å; N65-R68 WeakPolarHBondContact O-CA 3.27Å; N65-R68 VanDerWaalsContact O-CB 3.27Å; N65-R68 WeakPolarHBondContact O-CB 3.37Å; N65-R68 PolarHBondContact O-N 2.86Å; N65-R68 WeakPolarHBondContact OD1-CD 3.4Å; N65-R68 PolarHBondContact OD1-NE 2.69Å; N65-V69 PolarHBondContact O-N 3.09Å; N65-V69 VanDerWaalsContact O-N 3.17Å; N65-L94 HydrophobicContact CB-CD2 4.03Å; N65-D97 PolarHBondContact ND2-OD2 2.98Å
66	Q	98.6	Very high	98.1	Very high	90 Å²	90	64.8 Å²	64.8	42%	0.421	35%	0.352	S	S	.	.	H	α-helix	trans	-56.4	-42.8	-176.3	-174.6	59.6	49.9	0	0	113.1	L60 P63 E64 R68 V69 D70	L60-Q66 HydrophobicContact CD1-CB 4.4Å; P63-Q66 WeakPolarHBondContact O-CB 3.38Å; P63-Q66 PolarHBondContact O-N 2.89Å; P63-Q66 VanDerWaalsContact O-N 3.09Å; E64-Q66 VanDerWaalsContact C-N 3.25Å; E64-Q66 PolarHBondContact O-N 2.96Å; Q66-R68 PolarHBondContact O-N 2.88Å; Q66-R68 VanDerWaalsContact O-N 3.17Å; Q66-V69 WeakPolarHBondContact O-CB 3.1Å; Q66-V69 PolarHBondContact O-N 3.26Å; Q66-D70 PolarHBondContact NE2-OD1 3.2Å; Q66-D70 VanDerWaalsContact O-CG 3.25Å; Q66-D70 PolarHBondContact O-N 3.4Å
67	F	98.7	Very high	97.8	Very high	106 Å²	106	67.4 Å²	67.4	47%	0.465	36%	0.361	S	S	.	.	H	α-helix	trans	-62.9	-26.1	178.5	79.1	-83.9	0	0	0	112.7	E64 N65 Y71 H90	E64-F67 WeakPolarHBondContact O-CD1 3.3Å; E64-F67 WeakPolarHBondContact O-CE1 3.21Å; N65-F67 VanDerWaalsContact C-N 3.32Å; N65-F67 PolarHBondContact O-N 3.16Å; F67-Y71 WeakPolarHBondContact O-CB 3.27Å; F67-Y71 PolarHBondContact O-N 3.31Å; F67-H90 AromaticContact CE2-CE1 3.62Å
68	R	98.8	Very high	97.7	Very high	54 Å²	54	67.1 Å²	67.1	20%	0.204	36%	0.358	C	S	.	.	H	α-helix	trans	-74.7	-40.3	175.3	-51.8	-176.3	179.2	-92	-9.7	110.6	N65 Q66 D70 Y71 I72 E89 H90 L94	N65-R68 WeakPolarHBondContact O-CA 3.27Å; N65-R68 VanDerWaalsContact O-CB 3.27Å; N65-R68 WeakPolarHBondContact O-CB 3.37Å; N65-R68 PolarHBondContact O-N 2.86Å; N65-R68 WeakPolarHBondContact OD1-CD 3.4Å; N65-R68 PolarHBondContact OD1-NE 2.69Å; Q66-R68 PolarHBondContact O-N 2.88Å; Q66-R68 VanDerWaalsContact O-N 3.17Å; R68-D70 VanDerWaalsContact C-N 3.34Å; R68-Y71 PolarHBondContact O-N 3.44Å; R68-I72 WeakPolarHBondContact O-CG1 3.45Å; R68-I72 PolarHBondContact O-N 2.59Å; R68-E89 PolarHBondContact NH1-O 3.03Å; R68-E89 VanDerWaalsContact NH1-O 3.1Å; R68-H90 HydrophobicContact CB-CB 4.23Å; R68-H90 PolarHBondContact NH1-ND1 3.19Å; R68-H90 VanDerWaalsContact NH1-ND1 3.13Å; R68-L94 HydrophobicContact CB-CD1 3.86Å; R68-L94 HydrophobicContact CB-CD2 4.04Å; R68-L94 HydrophobicContact CB-CG 3.83Å
69	V	98.7	Very high	97.3	Very high	14 Å²	14	71.2 Å²	71.2	9%	0.085	39%	0.385	C	S	.	.	H	α-helix	trans	-57.4	-50.9	171.4	166.5	0	0	0	0	109.7	V48 L60 N65 Q66 Y71 I72 L73 L94	V48-V69 HydrophobicContact CG1-CB 4.14Å; V48-V69 HydrophobicContact CG1-CG1 3.63Å; V48-V69 HydrophobicContact CG1-CG2 4.02Å; L60-V69 HydrophobicContact CD1-CG2 3.85Å; L60-V69 HydrophobicContact CD2-CG2 3.94Å; L60-V69 HydrophobicContact CG-CG2 4.24Å; N65-V69 PolarHBondContact O-N 3.09Å; N65-V69 VanDerWaalsContact O-N 3.17Å; Q66-V69 WeakPolarHBondContact O-CB 3.1Å; Q66-V69 PolarHBondContact O-N 3.26Å; V69-Y71 VanDerWaalsContact C-N 3.29Å; V69-Y71 PolarHBondContact O-N 3.41Å; V69-I72 PolarHBondContact O-N 3.26Å; V69-L73 HydrophobicContact CG1-CD1 3.82Å; V69-L73 HydrophobicContact CG1-CG 4.33Å; V69-L73 WeakPolarHBondContact O-CG 3.17Å; V69-L73 PolarHBondContact O-N 3.34Å; V69-L94 HydrophobicContact CG2-CD2 3.64Å
70	D	98.5	Very high	97	Very high	86 Å²	86	72.1 Å²	72.1	46%	0.46	40%	0.395	S	S	.	.	H	α-helix	trans	-58.9	-41.7	179.7	-59.1	-19.3	0	0	0	111.4	Q66 R68 S74	Q66-D70 PolarHBondContact NE2-OD1 3.2Å; Q66-D70 VanDerWaalsContact O-CG 3.25Å; Q66-D70 PolarHBondContact O-N 3.4Å; R68-D70 VanDerWaalsContact C-N 3.34Å; D70-S74 WeakPolarHBondContact O-CB 3.36Å; D70-S74 PolarHBondContact O-N 2.93Å; D70-S74 PolarHBondContact O-OG 3.15Å
71	Y	98.8	Very high	96.9	Very high	46 Å²	46	71.7 Å²	71.7	18%	0.18	39%	0.392	C	S	.	.	H	α-helix	trans	-59.5	-55.4	174.2	174.1	-88.6	0	0	0	111.7	F67 R68 V69 L73 S74 V75 E86 F87 H90	F67-Y71 WeakPolarHBondContact O-CB 3.27Å; F67-Y71 PolarHBondContact O-N 3.31Å; R68-Y71 PolarHBondContact O-N 3.44Å; V69-Y71 VanDerWaalsContact C-N 3.29Å; V69-Y71 PolarHBondContact O-N 3.41Å; Y71-L73 VanDerWaalsContact C-N 3.28Å; Y71-L73 PolarHBondContact O-N 2.81Å; Y71-S74 PolarHBondContact O-N 2.98Å; Y71-S74 PolarHBondContact O-OG 3.13Å; Y71-V75 HydrophobicContact CE1-CG1 4.37Å; Y71-V75 HydrophobicContact CE1-CG2 4.16Å; Y71-V75 HydrophobicContact CE2-CG1 4.21Å; Y71-V75 PolarHBondContact O-N 2.99Å; Y71-V75 VanDerWaalsContact O-N 3.16Å; Y71-E86 HydrophobicContact CE2-CG 4.15Å; Y71-F87 HydrophobicContact CE1-CB 4.15Å; Y71-F87 HydrophobicContact CE1-CD2 4.33Å; Y71-H90 HydrophobicContact CD1-CB 4.07Å; Y71-H90 AromaticContact CD1-CD2 3.34Å; Y71-H90 WeakPolarHBondContact CD1-CD2 3.4Å; Y71-H90 AromaticContact CD1-CG 3.98Å; Y71-H90 AromaticContact CD2-CD2 3.94Å; Y71-H90 HydrophobicContact CE1-CB 4.49Å; Y71-H90 AromaticContact CE1-CD2 3.65Å; Y71-H90 AromaticContact CG-CD2 3.51Å
72	I	98.6	Very high	96.7	Very high	1 Å²	1	74.9 Å²	74.9	1%	0.005	40%	0.4	C	S	.	.	H	α-helix	trans	-58.6	-41.7	-177.1	-69.7	-62.8	0	0	0	111.1	I44 E45 V48 R68 V69 V75 M76 F87 H90 A91 L94	I44-I72 HydrophobicContact CG2-CD1 4.3Å; I44-I72 HydrophobicContact CG2-CG2 4.44Å; E45-I72 HydrophobicContact CB-CG2 3.99Å; V48-I72 HydrophobicContact CB-CG2 4.41Å; V48-I72 HydrophobicContact CG2-CG2 4.44Å; R68-I72 WeakPolarHBondContact O-CG1 3.45Å; R68-I72 PolarHBondContact O-N 2.59Å; V69-I72 PolarHBondContact O-N 3.26Å; I72-V75 WeakPolarHBondContact O-CG2 3.2Å; I72-V75 PolarHBondContact O-N 3.38Å; I72-M76 PolarHBondContact O-N 2.65Å; I72-F87 HydrophobicContact CD1-CD2 3.9Å; I72-F87 HydrophobicContact CD1-CE2 3.91Å; I72-H90 HydrophobicContact CD1-CB 4.39Å; I72-A91 HydrophobicContact CD1-CB 4.46Å; I72-L94 HydrophobicContact CB-CD1 4.42Å; I72-L94 HydrophobicContact CG1-CD1 3.63Å
73	L	98.1	Very high	96.7	Very high	72 Å²	72	72.4 Å²	72.4	38%	0.377	39%	0.386	S	S	.	.	H	α-helix	trans	-67.4	-35.5	177	-65.6	179.7	0	0	0	112.4	V48 A49 V69 Y71 V75 M76	V48-L73 HydrophobicContact CG1-CD2 4.03Å; V48-L73 HydrophobicContact CG1-CG 4.08Å; A49-L73 HydrophobicContact CB-CD2 4.07Å; V69-L73 HydrophobicContact CG1-CD1 3.82Å; V69-L73 HydrophobicContact CG1-CG 4.33Å; V69-L73 WeakPolarHBondContact O-CG 3.17Å; V69-L73 PolarHBondContact O-N 3.34Å; Y71-L73 VanDerWaalsContact C-N 3.28Å; Y71-L73 PolarHBondContact O-N 2.81Å; L73-V75 VanDerWaalsContact C-N 3.34Å; L73-V75 PolarHBondContact O-N 3.24Å; L73-M76 HydrophobicContact CD2-CE 3.57Å; L73-M76 WeakPolarHBondContact O-CB 3.26Å; L73-M76 PolarHBondContact O-N 3.02Å
74	S	97.9	Very high	96.7	Very high	86 Å²	86	68.8 Å²	68.8	60%	0.601	36%	0.362	S	S	*	.	H	α-helix	trans	-69.8	-28.6	179.6	73	0	0	0	0	113.6	D70 Y71	D70-S74 WeakPolarHBondContact O-CB 3.36Å; D70-S74 PolarHBondContact O-N 2.93Å; D70-S74 PolarHBondContact O-OG 3.15Å; Y71-S74 PolarHBondContact O-N 2.98Å; Y71-S74 PolarHBondContact O-OG 3.13Å
75	V	97.2	Very high	96.7	Very high	16 Å²	16	66.3 Å²	66.3	10%	0.097	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.9	-0.5	178.9	-56.9	0	0	0	0	114.1	K41 Y71 I72 L73 N77 V78 F81	K41-V75 VanDerWaalsContact CE-O 3.28Å; K41-V75 WeakPolarHBondContact CE-O 3.38Å; K41-V75 PolarHBondContact NZ-O 3.27Å; K41-V75 VanDerWaalsContact NZ-O 3.08Å; Y71-V75 HydrophobicContact CE1-CG1 4.37Å; Y71-V75 HydrophobicContact CE1-CG2 4.16Å; Y71-V75 HydrophobicContact CE2-CG1 4.21Å; Y71-V75 PolarHBondContact O-N 2.99Å; Y71-V75 VanDerWaalsContact O-N 3.16Å; I72-V75 WeakPolarHBondContact O-CG2 3.2Å; I72-V75 PolarHBondContact O-N 3.38Å; L73-V75 VanDerWaalsContact C-N 3.34Å; L73-V75 PolarHBondContact O-N 3.24Å; V75-N77 PolarHBondContact O-N 2.97Å; V75-V78 HydrophobicContact CB-CG2 4.34Å; V75-V78 PolarHBondContact O-N 3.47Å; V75-F81 HydrophobicContact CB-CD2 4.3Å; V75-F81 HydrophobicContact CB-CE2 3.68Å; V75-F81 HydrophobicContact CB-CZ 4.17Å; V75-F81 HydrophobicContact CG1-CE2 3.87Å; V75-F81 HydrophobicContact CG1-CZ 4.4Å; V75-F81 HydrophobicContact CG2-CE2 4.13Å; V75-F81 HydrophobicContact CG2-CZ 4.1Å
76	M	93.2	Very high	96.6	Very high	43 Å²	43	69.7 Å²	69.7	21%	0.212	38%	0.375	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56	-46.6	-172.6	-175.5	-179.1	-73.4	0	0	113.4	K41 E45 A49 I72 L73	K41-M76 PolarHBondContact NZ-O 2.71Å; E45-M76 HydrophobicContact CB-CE 3.75Å; E45-M76 HydrophobicContact CB-CG 4.18Å; E45-M76 HydrophobicContact CG-CE 4.11Å; E45-M76 HydrophobicContact CG-CG 4Å; E45-M76 WeakPolarHBondContact O-CE 3.21Å; E45-M76 WeakPolarHBondContact OE2-CA 3.29Å; E45-M76 WeakPolarHBondContact OE2-CG 3.25Å; A49-M76 HydrophobicContact CB-CE 3.65Å; I72-M76 PolarHBondContact O-N 2.65Å; L73-M76 HydrophobicContact CD2-CE 3.57Å; L73-M76 WeakPolarHBondContact O-CB 3.26Å; L73-M76 PolarHBondContact O-N 3.02Å
77	N	92.7	Very high	96.6	Very high	147 Å²	147	65.4 Å²	65.4	79%	0.786	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.9	18.3	-175.4	-62.5	-58.8	0	0	0	113.5	V75 P79	V75-N77 PolarHBondContact O-N 2.97Å; N77-P79 WeakPolarHBondContact O-CD 3.28Å
78	V	94.9	Very high	96.6	Very high	65 Å²	65	60.7 Å²	60.7	39%	0.394	33%	0.334	S	S	.	.			trans	-73.6	116.9	177.6	176.2	0	0	0	0	108.9	V75 F81	V75-V78 HydrophobicContact CB-CG2 4.34Å; V75-V78 PolarHBondContact O-N 3.47Å; V78-F81 HydrophobicContact CB-CD2 4.21Å; V78-F81 HydrophobicContact CG1-CD2 4.11Å
79	P	91.3	Very high	96.6	Very high	106 Å²	106	62.3 Å²	62.3	69%	0.688	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	149	174.4	30.9	-34.2	0	0	0	109.8	N77 F81	N77-P79 WeakPolarHBondContact O-CD 3.28Å; P79-F81 PolarHBondContact O-N 2.86Å
80	D	91.4	Very high	96.6	Very high	163 Å²	163	63 Å²	63	87%	0.872	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.8	42.8	177.3	-55.1	-41.3	0	0	0	113.2	D82	D80-D82 PolarHBondContact O-N 3.11Å
81	F	95.7	Very high	96.7	Very high	14 Å²	14	58.9 Å²	58.9	6%	0.061	32%	0.324	C	S	.	.			trans	-53.4	132.2	179.6	-171.7	-113.3	0	0	0	110.8	K41 V75 V78 P79 F83 P84 F87	K41-F81 HydrophobicContact CD-CB 4.33Å; K41-F81 HydrophobicContact CD-CD1 3.67Å; K41-F81 HydrophobicContact CD-CE1 4.21Å; K41-F81 HydrophobicContact CD-CG 4.12Å; V75-F81 HydrophobicContact CB-CD2 4.3Å; V75-F81 HydrophobicContact CB-CE2 3.68Å; V75-F81 HydrophobicContact CB-CZ 4.17Å; V75-F81 HydrophobicContact CG1-CE2 3.87Å; V75-F81 HydrophobicContact CG1-CZ 4.4Å; V75-F81 HydrophobicContact CG2-CE2 4.13Å; V75-F81 HydrophobicContact CG2-CZ 4.1Å; V78-F81 HydrophobicContact CB-CD2 4.21Å; V78-F81 HydrophobicContact CG1-CD2 4.11Å; P79-F81 PolarHBondContact O-N 2.86Å; F81-F83 HydrophobicContact CB-CE2 4.2Å; F81-F83 HydrophobicContact CD1-CB 4.46Å; F81-F83 AromaticContact CD1-CD1 3.82Å; F81-F83 HydrophobicContact CD1-CD1 3.82Å; F81-F83 AromaticContact CD1-CD2 3.89Å; F81-F83 HydrophobicContact CD1-CD2 3.89Å; F81-F83 AromaticContact CD1-CE1 3.89Å; F81-F83 HydrophobicContact CD1-CE1 3.89Å; F81-F83 AromaticContact CD1-CE2 3.89Å; F81-F83 HydrophobicContact CD1-CE2 3.89Å; F81-F83 AromaticContact CD1-CG 3.82Å; F81-F83 HydrophobicContact CD1-CG 3.82Å; F81-F83 AromaticContact CD1-CZ 3.93Å; F81-F83 HydrophobicContact CD1-CZ 3.93Å; F81-F83 HydrophobicContact CE1-CD1 4.02Å; F81-F83 HydrophobicContact CE1-CE1 4.36Å; F81-F83 HydrophobicContact CE1-CG 4.19Å; F81-F83 WeakPolarHBondContact O-CD2 3.43Å; F81-F83 WeakPolarHBondContact O-CE2 3.34Å; F81-P84 HydrophobicContact CZ-CG 4.37Å; F81-F87 HydrophobicContact CE1-CB 3.98Å; F81-F87 HydrophobicContact CE1-CD1 4.16Å; F81-F87 AromaticContact CE1-CD2 3.67Å; F81-F87 HydrophobicContact CE1-CD2 3.67Å; F81-F87 HydrophobicContact CE1-CE2 4.21Å; F81-F87 AromaticContact CE1-CG 3.65Å; F81-F87 HydrophobicContact CE1-CG 3.65Å; F81-F87 HydrophobicContact CZ-CB 3.95Å; F81-F87 AromaticContact CZ-CD2 3.92Å; F81-F87 HydrophobicContact CZ-CD2 3.92Å; F81-F87 HydrophobicContact CZ-CG 4.02Å
82	D	94.9	Very high	96.7	Very high	130 Å²	130	59.1 Å²	59.1	70%	0.695	33%	0.326	S	S	*	.			trans	-88.9	-4.1	-168.8	43.8	-18.6	0	0	0	113.6	D80	D80-D82 PolarHBondContact O-N 3.11Å
83	F	97.6	Very high	96.7	Very high	12 Å²	12	60.1 Å²	60.1	5%	0.053	34%	0.335	C	S	.	.			trans	50.8	60	176.7	-65.4	-89.7	0	0	0	113.3	K37 N38 K41 F81 F87 Y88	K37-F83 HydrophobicContact CB-CD1 3.91Å; K37-F83 HydrophobicContact CB-CD2 4.28Å; K37-F83 HydrophobicContact CB-CE1 3.62Å; K37-F83 HydrophobicContact CB-CE2 4.08Å; K37-F83 HydrophobicContact CB-CG 4.23Å; K37-F83 HydrophobicContact CB-CZ 3.73Å; K37-F83 HydrophobicContact CD-CB 4.37Å; K37-F83 HydrophobicContact CD-CD1 4.39Å; K37-F83 HydrophobicContact CD-CD2 4.27Å; K37-F83 HydrophobicContact CD-CG 4.07Å; K37-F83 HydrophobicContact CG-CD1 4.47Å; K37-F83 WeakPolarHBondContact O-CE1 3.36Å; N38-F83 WeakPolarHBondContact OD1-CZ 3.3Å; K41-F83 HydrophobicContact CB-CE1 3.9Å; K41-F83 HydrophobicContact CB-CZ 4.26Å; K41-F83 HydrophobicContact CD-CE1 4.19Å; K41-F83 HydrophobicContact CD-CZ 4.13Å; F81-F83 HydrophobicContact CB-CE2 4.2Å; F81-F83 HydrophobicContact CD1-CB 4.46Å; F81-F83 AromaticContact CD1-CD1 3.82Å; F81-F83 HydrophobicContact CD1-CD1 3.82Å; F81-F83 AromaticContact CD1-CD2 3.89Å; F81-F83 HydrophobicContact CD1-CD2 3.89Å; F81-F83 AromaticContact CD1-CE1 3.89Å; F81-F83 HydrophobicContact CD1-CE1 3.89Å; F81-F83 AromaticContact CD1-CE2 3.89Å; F81-F83 HydrophobicContact CD1-CE2 3.89Å; F81-F83 AromaticContact CD1-CG 3.82Å; F81-F83 HydrophobicContact CD1-CG 3.82Å; F81-F83 AromaticContact CD1-CZ 3.93Å; F81-F83 HydrophobicContact CD1-CZ 3.93Å; F81-F83 HydrophobicContact CE1-CD1 4.02Å; F81-F83 HydrophobicContact CE1-CE1 4.36Å; F81-F83 HydrophobicContact CE1-CG 4.19Å; F81-F83 WeakPolarHBondContact O-CD2 3.43Å; F81-F83 WeakPolarHBondContact O-CE2 3.34Å; F83-F87 AromaticContact CD1-CD1 3.9Å; F83-F87 HydrophobicContact CD1-CD1 3.9Å; F83-F87 AromaticContact CD1-CE1 3.71Å; F83-F87 HydrophobicContact CD1-CE1 3.71Å; F83-F87 HydrophobicContact CD1-CZ 4.43Å; F83-F87 HydrophobicContact CE1-CE1 4Å; F83-F87 HydrophobicContact CE1-CZ 4.34Å; F83-Y88 HydrophobicContact CB-CE2 4.12Å; F83-Y88 WeakPolarHBondContact CB-OH 3.37Å; F83-Y88 WeakPolarHBondContact O-CE2 3.46Å
84	P	97.9	Very high	96.7	Very high	23 Å²	23	56.7 Å²	56.7	15%	0.149	32%	0.317	C	S	.	.			trans	-70.7	159.3	-179.2	35.8	-39.7	0	0	0	111.2	F81 E86 F87	F81-P84 HydrophobicContact CZ-CG 4.37Å; P84-E86 VanDerWaalsContact CB-CD 3.46Å; P84-E86 HydrophobicContact CB-CG 4.48Å; P84-E86 VanDerWaalsContact CB-OE1 3.3Å; P84-E86 WeakPolarHBondContact CB-OE1 3.43Å; P84-E86 WeakPolarHBondContact CB-OE2 3.23Å; P84-E86 HydrophobicContact CG-CG 4.12Å; P84-E86 VanDerWaalsContact CG-OE1 3.26Å; P84-E86 WeakPolarHBondContact CG-OE1 3.26Å; P84-E86 PolarHBondContact O-N 3.07Å; P84-E86 VanDerWaalsContact O-N 3.13Å; P84-F87 HydrophobicContact CG-CB 4.41Å; P84-F87 WeakPolarHBondContact O-CB 3.21Å; P84-F87 PolarHBondContact O-N 2.95Å
85	P	98.1	Very high	96.8	Very high	99 Å²	99	53.3 Å²	53.3	64%	0.643	29%	0.29	S	S	*	.	H	α-helix	trans	-52.3	-39.1	-175	-28.8	36.5	0	0	0	114.4	F87 Y88 E89	P85-F87 PolarHBondContact O-N 3.36Å; P85-Y88 PolarHBondContact O-N 3.38Å; P85-E89 PolarHBondContact O-N 3.31Å
86	E	98	Very high	96.8	Very high	90 Å²	90	58.4 Å²	58.4	42%	0.421	31%	0.313	S	S	.	.	H	α-helix	trans	-60.3	-31	179	62.2	-87.6	-160.3	0	0	113.3	Y71 P84 Y88 E89 H90	Y71-E86 HydrophobicContact CE2-CG 4.15Å; P84-E86 VanDerWaalsContact CB-CD 3.46Å; P84-E86 HydrophobicContact CB-CG 4.48Å; P84-E86 VanDerWaalsContact CB-OE1 3.3Å; P84-E86 WeakPolarHBondContact CB-OE1 3.43Å; P84-E86 WeakPolarHBondContact CB-OE2 3.23Å; P84-E86 HydrophobicContact CG-CG 4.12Å; P84-E86 VanDerWaalsContact CG-OE1 3.26Å; P84-E86 WeakPolarHBondContact CG-OE1 3.26Å; P84-E86 PolarHBondContact O-N 3.07Å; P84-E86 VanDerWaalsContact O-N 3.13Å; E86-Y88 VanDerWaalsContact C-N 3.34Å; E86-Y88 PolarHBondContact O-N 3.18Å; E86-E89 PolarHBondContact O-N 3.33Å; E86-H90 WeakPolarHBondContact O-CB 3.37Å; E86-H90 PolarHBondContact O-CD2 2.93Å; E86-H90 PolarHBondContact O-N 3.31Å
87	F	98.7	Very high	97.1	Very high	1 Å²	1	56.7 Å²	56.7	0%	0.004	31%	0.305	C	S	.	.	H	α-helix	trans	-60.9	-46	176.5	163.3	-97.5	0	0	0	111.1	L40 K41 I44 Y71 I72 F81 F83 P84 P85 E89 H90 A91	L40-F87 HydrophobicContact CD2-CE1 3.62Å; L40-F87 HydrophobicContact CD2-CZ 3.68Å; K41-F87 HydrophobicContact CB-CE2 4.19Å; K41-F87 HydrophobicContact CB-CZ 3.73Å; K41-F87 HydrophobicContact CG-CE2 3.99Å; K41-F87 HydrophobicContact CG-CZ 4.06Å; I44-F87 HydrophobicContact CG2-CE2 4.24Å; I44-F87 HydrophobicContact CG2-CZ 4.3Å; Y71-F87 HydrophobicContact CE1-CB 4.15Å; Y71-F87 HydrophobicContact CE1-CD2 4.33Å; I72-F87 HydrophobicContact CD1-CD2 3.9Å; I72-F87 HydrophobicContact CD1-CE2 3.91Å; F81-F87 HydrophobicContact CE1-CB 3.98Å; F81-F87 HydrophobicContact CE1-CD1 4.16Å; F81-F87 AromaticContact CE1-CD2 3.67Å; F81-F87 HydrophobicContact CE1-CD2 3.67Å; F81-F87 HydrophobicContact CE1-CE2 4.21Å; F81-F87 AromaticContact CE1-CG 3.65Å; F81-F87 HydrophobicContact CE1-CG 3.65Å; F81-F87 HydrophobicContact CZ-CB 3.95Å; F81-F87 AromaticContact CZ-CD2 3.92Å; F81-F87 HydrophobicContact CZ-CD2 3.92Å; F81-F87 HydrophobicContact CZ-CG 4.02Å; F83-F87 AromaticContact CD1-CD1 3.9Å; F83-F87 HydrophobicContact CD1-CD1 3.9Å; F83-F87 AromaticContact CD1-CE1 3.71Å; F83-F87 HydrophobicContact CD1-CE1 3.71Å; F83-F87 HydrophobicContact CD1-CZ 4.43Å; F83-F87 HydrophobicContact CE1-CE1 4Å; F83-F87 HydrophobicContact CE1-CZ 4.34Å; P84-F87 HydrophobicContact CG-CB 4.41Å; P84-F87 WeakPolarHBondContact O-CB 3.21Å; P84-F87 PolarHBondContact O-N 2.95Å; P85-F87 PolarHBondContact O-N 3.36Å; F87-E89 PolarHBondContact O-N 3.16Å; F87-H90 PolarHBondContact O-N 2.92Å; F87-A91 VanDerWaalsContact O-CB 3.27Å; F87-A91 WeakPolarHBondContact O-CB 3.39Å; F87-A91 PolarHBondContact O-N 3.41Å
88	Y	98.8	Very high	97.4	Very high	6 Å²	6	56.4 Å²	56.4	2%	0.024	30%	0.299	C	S	.	.	H	α-helix	trans	-66	-39.3	179.7	-61.4	-73.4	0	0	0	111.7	K37 F83 P85 E86 K92 I123 I126 K127	K37-Y88 VanDerWaalsContact CD-OH 3.28Å; K37-Y88 WeakPolarHBondContact CD-OH 3.34Å; K37-Y88 WeakPolarHBondContact CE-OH 3.35Å; K37-Y88 PolarHBondContact NZ-OH 3.43Å; F83-Y88 HydrophobicContact CB-CE2 4.12Å; F83-Y88 WeakPolarHBondContact CB-OH 3.37Å; F83-Y88 WeakPolarHBondContact O-CE2 3.46Å; P85-Y88 PolarHBondContact O-N 3.38Å; E86-Y88 VanDerWaalsContact C-N 3.34Å; E86-Y88 PolarHBondContact O-N 3.18Å; Y88-K92 VanDerWaalsContact O-CB 3.22Å; Y88-K92 WeakPolarHBondContact O-CB 3.45Å; Y88-K92 PolarHBondContact O-N 3.03Å; Y88-I123 HydrophobicContact CD1-CG2 4.14Å; Y88-I126 HydrophobicContact CE1-CG2 4.41Å; Y88-K127 HydrophobicContact CD1-CB 3.74Å; Y88-K127 HydrophobicContact CD2-CB 3.71Å; Y88-K127 HydrophobicContact CE1-CB 4.13Å; Y88-K127 HydrophobicContact CE2-CB 4.1Å; Y88-K127 HydrophobicContact CG-CB 3.5Å; Y88-K127 VanDerWaalsContact CG-CB 3.5Å
89	E	98.6	Very high	97.6	Very high	88 Å²	88	53.6 Å²	53.6	41%	0.411	28%	0.283	S	S	.	.	H	α-helix	trans	-69.1	-35.7	177.7	-61.5	-57.4	132.1	0	0	112.4	R68 P85 E86 F87 A93 K127	R68-E89 PolarHBondContact NH1-O 3.03Å; R68-E89 VanDerWaalsContact NH1-O 3.1Å; P85-E89 PolarHBondContact O-N 3.31Å; E86-E89 PolarHBondContact O-N 3.33Å; F87-E89 PolarHBondContact O-N 3.16Å; E89-A93 WeakPolarHBondContact O-CB 3.36Å; E89-A93 PolarHBondContact O-N 2.72Å; E89-K127 IonicContact OE1-NZ 2.8Å; E89-K127 PolarHBondContact OE1-NZ 2.88Å
90	H	98.8	Very high	97.9	Very high	28 Å²	28	48.6 Å²	48.6	13%	0.13	25%	0.251	C	S	.	.	H	α-helix	trans	-69.9	-48.2	173	-66.6	-34.2	0	0	0	111.8	F67 R68 Y71 I72 E86 F87 K92 A93 L94	F67-H90 AromaticContact CE2-CE1 3.62Å; R68-H90 HydrophobicContact CB-CB 4.23Å; R68-H90 PolarHBondContact NH1-ND1 3.19Å; R68-H90 VanDerWaalsContact NH1-ND1 3.13Å; Y71-H90 HydrophobicContact CD1-CB 4.07Å; Y71-H90 AromaticContact CD1-CD2 3.34Å; Y71-H90 WeakPolarHBondContact CD1-CD2 3.4Å; Y71-H90 AromaticContact CD1-CG 3.98Å; Y71-H90 AromaticContact CD2-CD2 3.94Å; Y71-H90 HydrophobicContact CE1-CB 4.49Å; Y71-H90 AromaticContact CE1-CD2 3.65Å; Y71-H90 AromaticContact CG-CD2 3.51Å; I72-H90 HydrophobicContact CD1-CB 4.39Å; E86-H90 WeakPolarHBondContact O-CB 3.37Å; E86-H90 PolarHBondContact O-CD2 2.93Å; E86-H90 PolarHBondContact O-N 3.31Å; F87-H90 PolarHBondContact O-N 2.92Å; H90-K92 VanDerWaalsContact C-N 3.33Å; H90-K92 PolarHBondContact O-N 3.36Å; H90-A93 PolarHBondContact O-N 3.49Å; H90-L94 WeakPolarHBondContact O-CB 3.34Å; H90-L94 WeakPolarHBondContact O-CG 3.47Å; H90-L94 PolarHBondContact O-N 3.37Å
91	A	98.8	Very high	98.3	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-60.6	-42.1	179.3	0	0	0	0	0	112.1	I44 I72 F87 L94 W95 I123	I44-A91 HydrophobicContact CB-CB 4.39Å; I44-A91 HydrophobicContact CG1-CB 4.08Å; I44-A91 HydrophobicContact CG2-CB 4.11Å; I72-A91 HydrophobicContact CD1-CB 4.46Å; F87-A91 VanDerWaalsContact O-CB 3.27Å; F87-A91 WeakPolarHBondContact O-CB 3.39Å; F87-A91 PolarHBondContact O-N 3.41Å; A91-L94 PolarHBondContact O-N 2.72Å; A91-W95 WeakPolarHBondContact O-CB 3.39Å; A91-W95 PolarHBondContact O-N 3.47Å; A91-I123 HydrophobicContact CB-CD1 4.28Å
92	K	98.8	Very high	98.4	Very high	52 Å²	52	44.9 Å²	44.9	23%	0.226	23%	0.233	C	C	.	.	H	α-helix	trans	-65.3	-50.5	178.4	-176.1	179.3	174.1	-179.9	0	112.2	Y88 H90 L94 W95 E96 I123 D124	Y88-K92 VanDerWaalsContact O-CB 3.22Å; Y88-K92 WeakPolarHBondContact O-CB 3.45Å; Y88-K92 PolarHBondContact O-N 3.03Å; H90-K92 VanDerWaalsContact C-N 3.33Å; H90-K92 PolarHBondContact O-N 3.36Å; K92-L94 PolarHBondContact O-N 3.31Å; K92-W95 WeakPolarHBondContact O-CB 3.34Å; K92-W95 PolarHBondContact O-N 2.95Å; K92-E96 WeakPolarHBondContact CE-OE1 3.11Å; K92-E96 WeakPolarHBondContact O-CG 3.32Å; K92-E96 PolarHBondContact O-N 3.33Å; K92-I123 HydrophobicContact CB-CB 4.5Å; K92-I123 HydrophobicContact CB-CD1 3.97Å; K92-I123 HydrophobicContact CB-CG2 4.08Å; K92-D124 WeakPolarHBondContact CE-OD2 3.31Å; K92-D124 VanDerWaalsContact NZ-CG 3.32Å; K92-D124 IonicContact NZ-OD1 2.7Å; K92-D124 PolarHBondContact NZ-OD1 2.85Å; K92-D124 IonicContact NZ-OD2 2.57Å; K92-D124 PolarHBondContact NZ-OD2 3.37Å
93	A	98.8	Very high	98.6	Very high	22 Å²	22	38.7 Å²	38.7	18%	0.182	20%	0.2	C	C	.	.	H	α-helix	trans	-62.2	-33.7	180	0	0	0	0	0	112.4	E89 H90 D97	E89-A93 WeakPolarHBondContact O-CB 3.36Å; E89-A93 PolarHBondContact O-N 2.72Å; H90-A93 PolarHBondContact O-N 3.49Å; A93-D97 PolarHBondContact O-N 3.42Å
94	L	98.9	Very high	98.6	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-71.4	-41	171.8	-73.5	170.4	0	0	0	111.8	I44 V48 L60 N65 R68 V69 I72 H90 A91 K92 E96 D97 V100	I44-L94 HydrophobicContact CD1-CB 4.14Å; V48-L94 HydrophobicContact CG2-CD1 4.11Å; L60-L94 HydrophobicContact CD2-CD2 4.05Å; N65-L94 HydrophobicContact CB-CD2 4.03Å; R68-L94 HydrophobicContact CB-CD1 3.86Å; R68-L94 HydrophobicContact CB-CD2 4.04Å; R68-L94 HydrophobicContact CB-CG 3.83Å; V69-L94 HydrophobicContact CG2-CD2 3.64Å; I72-L94 HydrophobicContact CB-CD1 4.42Å; I72-L94 HydrophobicContact CG1-CD1 3.63Å; H90-L94 WeakPolarHBondContact O-CB 3.34Å; H90-L94 WeakPolarHBondContact O-CG 3.47Å; H90-L94 PolarHBondContact O-N 3.37Å; A91-L94 PolarHBondContact O-N 2.72Å; K92-L94 PolarHBondContact O-N 3.31Å; L94-E96 PolarHBondContact O-N 2.92Å; L94-D97 VanDerWaalsContact O-CB 3.25Å; L94-D97 WeakPolarHBondContact O-CB 3.25Å; L94-D97 PolarHBondContact O-N 3.06Å; L94-V100 HydrophobicContact CB-CG2 4.33Å; L94-V100 HydrophobicContact CD2-CG2 4.26Å; L94-V100 WeakPolarHBondContact O-CB 3.43Å; L94-V100 WeakPolarHBondContact O-CG1 3.45Å; L94-V100 VanDerWaalsContact O-CG2 3.27Å; L94-V100 WeakPolarHBondContact O-CG2 3.38Å
95	W	98.8	Very high	98.6	Very high	14 Å²	14	42.5 Å²	42.5	5%	0.053	22%	0.215	C	C	.	.	H	α-helix	trans	-61.4	-33	177	-175.9	-127.1	0	0	0	112.6	I47 A91 K92 D97 V100 R101 Y104 Q117 L120 D121	I47-W95 HydrophobicContact CD1-CZ3 3.85Å; A91-W95 WeakPolarHBondContact O-CB 3.39Å; A91-W95 PolarHBondContact O-N 3.47Å; K92-W95 WeakPolarHBondContact O-CB 3.34Å; K92-W95 PolarHBondContact O-N 2.95Å; W95-D97 VanDerWaalsContact C-N 3.27Å; W95-D97 PolarHBondContact O-N 3.49Å; W95-V100 HydrophobicContact CE3-CG1 4.5Å; W95-R101 WeakPolarHBondContact O-CD 3.48Å; W95-R101 WeakPolarHBondContact O-CG 3.23Å; W95-Y104 AromaticContact CH2-CD1 3.97Å; W95-Y104 HydrophobicContact CH2-CD1 3.97Å; W95-Y104 AromaticContact CH2-CD2 3.77Å; W95-Y104 HydrophobicContact CH2-CD2 3.77Å; W95-Y104 HydrophobicContact CH2-CE1 4.27Å; W95-Y104 HydrophobicContact CH2-CE2 4.1Å; W95-Y104 AromaticContact CH2-CG 3.71Å; W95-Y104 HydrophobicContact CH2-CG 3.71Å; W95-Y104 HydrophobicContact CZ3-CD1 4.38Å; W95-Y104 AromaticContact CZ3-CD2 3.99Å; W95-Y104 HydrophobicContact CZ3-CD2 3.99Å; W95-Y104 AromaticContact CZ3-CG 3.8Å; W95-Y104 HydrophobicContact CZ3-CG 3.8Å; W95-Q117 HydrophobicContact CH2-CB 4.31Å; W95-Q117 HydrophobicContact CZ2-CB 4.08Å; W95-Q117 HydrophobicContact CZ2-CG 4.09Å; W95-L120 HydrophobicContact CD2-CB 3.7Å; W95-L120 HydrophobicContact CD2-CD1 3.87Å; W95-L120 HydrophobicContact CD2-CG 4.34Å; W95-L120 VanDerWaalsContact CE2-CB 3.45Å; W95-L120 HydrophobicContact CE3-CB 4.35Å; W95-L120 HydrophobicContact CE3-CD1 3.63Å; W95-L120 HydrophobicContact CG-CB 3.86Å; W95-L120 HydrophobicContact CH2-CB 4.36Å; W95-L120 HydrophobicContact CH2-CD1 3.73Å; W95-L120 HydrophobicContact CZ2-CB 3.79Å; W95-L120 HydrophobicContact CZ2-CD1 4.04Å; W95-L120 HydrophobicContact CZ3-CD1 3.58Å; W95-D121 PolarHBondContact NE1-OD1 2.95Å
96	E	98.7	Very high	98.6	Very high	124 Å²	124	40.1 Å²	40.1	58%	0.579	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-7	175.1	-67.2	170.3	174.6	0	0	113.4	K92 L94	K92-E96 WeakPolarHBondContact CE-OE1 3.11Å; K92-E96 WeakPolarHBondContact O-CG 3.32Å; K92-E96 PolarHBondContact O-N 3.33Å; L94-E96 PolarHBondContact O-N 2.92Å
97	D	98.8	Very high	98.5	Very high	7 Å²	7	37.2 Å²	37.2	4%	0.037	18%	0.183	C	C	.	.			trans	-77.7	123.7	176.3	-171.6	-71	0	0	0	110.9	A61 N62 N65 A93 L94 W95 G99 V100 R101	A61-D97 WeakPolarHBondContact CB-OD1 3.35Å; A61-D97 PolarHBondContact N-OD1 2.96Å; N62-D97 PolarHBondContact N-OD2 3.4Å; N65-D97 PolarHBondContact ND2-OD2 2.98Å; A93-D97 PolarHBondContact O-N 3.42Å; L94-D97 VanDerWaalsContact O-CB 3.25Å; L94-D97 WeakPolarHBondContact O-CB 3.25Å; L94-D97 PolarHBondContact O-N 3.06Å; W95-D97 VanDerWaalsContact C-N 3.27Å; W95-D97 PolarHBondContact O-N 3.49Å; D97-G99 PolarHBondContact O-N 3.02Å; D97-G99 VanDerWaalsContact O-N 3.16Å; D97-G99 WeakPolarHBondContact OD1-CA 3.45Å; D97-G99 PolarHBondContact OD1-N 3.21Å; D97-V100 HydrophobicContact CB-CB 4.24Å; D97-V100 HydrophobicContact CB-CG2 3.93Å; D97-V100 WeakPolarHBondContact O-CB 3.45Å; D97-V100 PolarHBondContact O-N 3.46Å; D97-V100 PolarHBondContact OD1-N 3.33Å; D97-R101 WeakPolarHBondContact O-CG 3.33Å; D97-R101 PolarHBondContact O-N 3.39Å
98	E	98.7	Very high	98.4	Very high	141 Å²	141	38.7 Å²	38.7	66%	0.659	19%	0.191	S	C	*	.	H	α-helix	trans	-60.4	-27.1	-177.8	-68.7	-63.7	148.5	0	0	113.4	A61 A102	A61-E98 HydrophobicContact CB-CB 3.78Å; E98-A102 VanDerWaalsContact O-CB 3.27Å; E98-A102 WeakPolarHBondContact O-CB 3.35Å; E98-A102 PolarHBondContact O-N 2.68Å
99	G	98.6	Very high	98.4	Very high	6 Å²	6	42.6 Å²	42.6	6%	0.062	21%	0.209	C	C	.	.	H	α-helix	trans	-69.9	-42.1	173.5	0	0	0	0	0	111.9	V58 E59 D97 A102 C103	V58-G99 WeakPolarHBondContact CG1-O 3.47Å; E59-G99 WeakPolarHBondContact O-CA 3.46Å; D97-G99 PolarHBondContact O-N 3.02Å; D97-G99 VanDerWaalsContact O-N 3.16Å; D97-G99 WeakPolarHBondContact OD1-CA 3.45Å; D97-G99 PolarHBondContact OD1-N 3.21Å; G99-A102 PolarHBondContact O-N 3.19Å; G99-C103 PolarHBondContact O-N 3.49Å
100	V	98.8	Very high	98.3	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-66.2	-41.4	174.2	177.8	0	0	0	0	110.6	I44 I47 M51 L60 L94 W95 D97 C103 Y104	I44-V100 HydrophobicContact CD1-CG1 4.4Å; I47-V100 HydrophobicContact CG2-CG1 3.76Å; M51-V100 HydrophobicContact CE-CG2 4.25Å; M51-V100 HydrophobicContact SD-CG2 3.82Å; L60-V100 HydrophobicContact CD2-CG2 3.9Å; L94-V100 HydrophobicContact CB-CG2 4.33Å; L94-V100 HydrophobicContact CD2-CG2 4.26Å; L94-V100 WeakPolarHBondContact O-CB 3.43Å; L94-V100 WeakPolarHBondContact O-CG1 3.45Å; L94-V100 VanDerWaalsContact O-CG2 3.27Å; L94-V100 WeakPolarHBondContact O-CG2 3.38Å; W95-V100 HydrophobicContact CE3-CG1 4.5Å; D97-V100 HydrophobicContact CB-CB 4.24Å; D97-V100 HydrophobicContact CB-CG2 3.93Å; D97-V100 WeakPolarHBondContact O-CB 3.45Å; D97-V100 PolarHBondContact O-N 3.46Å; D97-V100 PolarHBondContact OD1-N 3.33Å; V100-C103 WeakPolarHBondContact O-CB 3.46Å; V100-C103 PolarHBondContact O-N 3.01Å; V100-Y104 PolarHBondContact O-N 3.11Å
101	R	98.6	Very high	98.3	Very high	56 Å²	56	40.2 Å²	40.2	21%	0.211	20%	0.197	C	C	.	.	H	α-helix	trans	-62.3	-41.5	173.5	-65.1	-68	-71.5	149.3	-3.8	111.5	W95 D97 C103 Y104 E105	W95-R101 WeakPolarHBondContact O-CD 3.48Å; W95-R101 WeakPolarHBondContact O-CG 3.23Å; D97-R101 WeakPolarHBondContact O-CG 3.33Å; D97-R101 PolarHBondContact O-N 3.39Å; R101-C103 VanDerWaalsContact C-N 3.32Å; R101-C103 PolarHBondContact O-N 3.22Å; R101-Y104 VanDerWaalsContact NH1-CD1 3.32Å; R101-Y104 WeakPolarHBondContact O-CB 3.26Å; R101-Y104 PolarHBondContact O-N 3.33Å; R101-Y104 VanDerWaalsContact O-N 3.16Å; R101-E105 WeakPolarHBondContact O-CG 3.46Å; R101-E105 PolarHBondContact O-N 3.31Å
102	A	98.4	Very high	98.2	Very high	44 Å²	44	40.4 Å²	40.4	36%	0.364	20%	0.198	S	C	.	.	H	α-helix	trans	-62.8	-36.8	174.2	0	0	0	0	0	112.7	V58 E98 G99 E105	V58-A102 HydrophobicContact CG1-CB 4.15Å; E98-A102 VanDerWaalsContact O-CB 3.27Å; E98-A102 WeakPolarHBondContact O-CB 3.35Å; E98-A102 PolarHBondContact O-N 2.68Å; G99-A102 PolarHBondContact O-N 3.19Å; A102-E105 PolarHBondContact O-N 3.11Å
103	C	98.7	Very high	98.1	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-65.3	-41.8	172.1	-174.8	0	0	0	0	111.8	I47 M51 L54 V58 G99 V100 R101 E105 R106 Y110	I47-C103 HydrophobicContact CG2-CB 4.02Å; I47-C103 PolarHBondContact O-SG 3.36Å; M51-C103 HydrophobicContact CG-CB 3.75Å; L54-C103 HydrophobicContact CD1-CB 4.45Å; V58-C103 HydrophobicContact CB-CB 4.37Å; V58-C103 HydrophobicContact CG1-CB 4.36Å; G99-C103 PolarHBondContact O-N 3.49Å; V100-C103 WeakPolarHBondContact O-CB 3.46Å; V100-C103 PolarHBondContact O-N 3.01Å; R101-C103 VanDerWaalsContact C-N 3.32Å; R101-C103 PolarHBondContact O-N 3.22Å; C103-E105 VanDerWaalsContact C-N 3.35Å; C103-E105 PolarHBondContact O-N 3.45Å; C103-R106 CarbonylContact O-C 3.52Å; C103-R106 PolarHBondContact O-N 2.95Å; C103-R106 VanDerWaalsContact O-N 3.11Å; C103-Y110 VanDerWaalsContact C-OH 3.32Å; C103-Y110 PolarHBondContact O-OH 2.9Å
104	Y	98.5	Very high	97.8	Very high	32 Å²	32	40 Å²	40	13%	0.125	20%	0.195	C	C	.	.	H	α-helix	trans	-59.6	-41.8	175.1	169.7	-99.8	0	0	0	112.5	I47 W95 V100 R101 R106 S107 L112 A116 Q117	I47-Y104 HydrophobicContact CD1-CD2 3.88Å; I47-Y104 HydrophobicContact CG1-CD2 4.5Å; W95-Y104 AromaticContact CH2-CD1 3.97Å; W95-Y104 HydrophobicContact CH2-CD1 3.97Å; W95-Y104 AromaticContact CH2-CD2 3.77Å; W95-Y104 HydrophobicContact CH2-CD2 3.77Å; W95-Y104 HydrophobicContact CH2-CE1 4.27Å; W95-Y104 HydrophobicContact CH2-CE2 4.1Å; W95-Y104 AromaticContact CH2-CG 3.71Å; W95-Y104 HydrophobicContact CH2-CG 3.71Å; W95-Y104 HydrophobicContact CZ3-CD1 4.38Å; W95-Y104 AromaticContact CZ3-CD2 3.99Å; W95-Y104 HydrophobicContact CZ3-CD2 3.99Å; W95-Y104 AromaticContact CZ3-CG 3.8Å; W95-Y104 HydrophobicContact CZ3-CG 3.8Å; V100-Y104 PolarHBondContact O-N 3.11Å; R101-Y104 VanDerWaalsContact NH1-CD1 3.32Å; R101-Y104 WeakPolarHBondContact O-CB 3.26Å; R101-Y104 PolarHBondContact O-N 3.33Å; R101-Y104 VanDerWaalsContact O-N 3.16Å; Y104-R106 PolarHBondContact O-N 3.3Å; Y104-S107 WeakPolarHBondContact O-CB 3.41Å; Y104-S107 PolarHBondContact O-N 2.76Å; Y104-S107 PolarHBondContact O-OG 2.77Å; Y104-L112 HydrophobicContact CD2-CD2 3.55Å; Y104-L112 HydrophobicContact CE2-CD2 3.64Å; Y104-A116 HydrophobicContact CE2-CB 4.28Å; Y104-Q117 HydrophobicContact CE1-CB 4.41Å; Y104-Q117 HydrophobicContact CE2-CB 4.3Å; Y104-Q117 WeakPolarHBondContact OH-CB 3.36Å; Y104-Q117 PolarHBondContact OH-OE1 3.27Å
105	E	97.2	Very high	97.7	Very high	82 Å²	82	40.2 Å²	40.2	38%	0.383	20%	0.197	S	C	.	.	H	α-helix	trans	-62.1	-18.3	177	-68.3	-61.2	142.7	0	0	113.6	R101 A102 C103 K246	R101-E105 WeakPolarHBondContact O-CG 3.46Å; R101-E105 PolarHBondContact O-N 3.31Å; A102-E105 PolarHBondContact O-N 3.11Å; C103-E105 VanDerWaalsContact C-N 3.35Å; C103-E105 PolarHBondContact O-N 3.45Å; E105-K246 VanDerWaalsContact CD-NZ 3.28Å; E105-K246 IonicContact OE2-NZ 2.87Å; E105-K246 PolarHBondContact OE2-NZ 2.75Å
106	R	97.8	Very high	97.6	Very high	50 Å²	50	39.6 Å²	39.6	19%	0.189	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.5	16.8	175.5	-65.5	177.1	63.5	-168.3	-1.4	112.8	L54 V55 P56 C103 Y104 N108 E109 Y110	L54-R106 HydrophobicContact CD1-CB 4.13Å; V55-R106 PolarHBondContact O-NH2 3.19Å; V55-R106 VanDerWaalsContact O-NH2 3.11Å; P56-R106 PolarHBondContact O-NH1 2.94Å; P56-R106 PolarHBondContact O-NH2 3.38Å; C103-R106 CarbonylContact O-C 3.52Å; C103-R106 PolarHBondContact O-N 2.95Å; C103-R106 VanDerWaalsContact O-N 3.11Å; Y104-R106 PolarHBondContact O-N 3.3Å; R106-N108 PolarHBondContact O-N 2.57Å; R106-E109 WeakPolarHBondContact CB-OE1 3.38Å; R106-E109 IonicContact CZ-OE1 3.98Å; R106-E109 IonicContact CZ-OE2 2.71Å; R106-E109 IonicContact NE-OE1 3.71Å; R106-E109 PolarHBondContact NE-OE1 3.07Å; R106-E109 IonicContact NE-OE2 3.85Å; R106-E109 IonicContact NH2-OE1 2.63Å; R106-E109 PolarHBondContact NH2-OE1 3.31Å; R106-E109 IonicContact NH2-OE2 3.27Å; R106-E109 PolarHBondContact NH2-OE2 2.92Å; R106-E109 WeakPolarHBondContact O-CB 3.14Å; R106-E109 PolarHBondContact O-N 2.92Å; R106-Y110 WeakPolarHBondContact O-CE1 3.32Å
107	S	97.8	Very high	97.6	Very high	28 Å²	28	36 Å²	36	20%	0.196	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-64.3	-6.1	-175.7	76	0	0	0	0	115.3	Y104 E109 Y110	Y104-S107 WeakPolarHBondContact O-CB 3.41Å; Y104-S107 PolarHBondContact O-N 2.76Å; Y104-S107 PolarHBondContact O-OG 2.77Å; S107-E109 VanDerWaalsContact C-N 3.25Å; S107-Y110 VanDerWaalsContact CA-CZ 3.46Å
108	N	96.6	Very high	97.6	Very high	32 Å²	32	37.7 Å²	37.7	17%	0.171	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-76	-15	170.7	70.8	-76.1	0	0	0	112.9	R106 Y110 N195 M196	R106-N108 PolarHBondContact O-N 2.57Å; N108-Y110 VanDerWaalsContact C-N 3.33Å; N108-N195 WeakPolarHBondContact CB-ND2 3.3Å; N108-M196 HydrophobicContact CB-CG 4.28Å
109	E	97.3	Very high	97.6	Very high	89 Å²	89	31 Å²	31	42%	0.416	15%	0.153	S	C	.	.	G	3₁₀ helix	trans	-84.7	-7.6	177.5	-61	177.6	-128.2	0	0	112.6	L54 R106 S107	L54-E109 HydrophobicContact CD2-CB 3.64Å; L54-E109 HydrophobicContact CD2-CG 4.36Å; L54-E109 WeakPolarHBondContact CD2-OE2 3.42Å; R106-E109 WeakPolarHBondContact CB-OE1 3.38Å; R106-E109 IonicContact CZ-OE1 3.98Å; R106-E109 IonicContact CZ-OE2 2.71Å; R106-E109 IonicContact NE-OE1 3.71Å; R106-E109 PolarHBondContact NE-OE1 3.07Å; R106-E109 IonicContact NE-OE2 3.85Å; R106-E109 IonicContact NH2-OE1 2.63Å; R106-E109 PolarHBondContact NH2-OE1 3.31Å; R106-E109 IonicContact NH2-OE2 3.27Å; R106-E109 PolarHBondContact NH2-OE2 2.92Å; R106-E109 WeakPolarHBondContact O-CB 3.14Å; R106-E109 PolarHBondContact O-N 2.92Å; S107-E109 VanDerWaalsContact C-N 3.25Å
110	Y	98	Very high	97.6	Very high	27 Å²	27	30.9 Å²	30.9	11%	0.106	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-145.6	-177.1	177.2	56.3	-91	0	0	0	111.6	T46 A50 L54 C103 R106 S107 N108 L112	T46-Y110 HydrophobicContact CG2-CD2 3.86Å; T46-Y110 HydrophobicContact CG2-CE2 4.09Å; A50-Y110 HydrophobicContact CB-CD1 3.6Å; A50-Y110 HydrophobicContact CB-CD2 3.94Å; A50-Y110 HydrophobicContact CB-CE1 3.62Å; A50-Y110 HydrophobicContact CB-CE2 3.96Å; A50-Y110 HydrophobicContact CB-CG 3.75Å; L54-Y110 HydrophobicContact CD1-CE1 4.28Å; L54-Y110 HydrophobicContact CD2-CD1 3.94Å; L54-Y110 HydrophobicContact CD2-CE1 4.22Å; C103-Y110 VanDerWaalsContact C-OH 3.32Å; C103-Y110 PolarHBondContact O-OH 2.9Å; R106-Y110 WeakPolarHBondContact O-CE1 3.32Å; S107-Y110 VanDerWaalsContact CA-CZ 3.46Å; N108-Y110 VanDerWaalsContact C-N 3.33Å; Y110-L112 HydrophobicContact CD2-CB 4.28Å; Y110-L112 HydrophobicContact CE2-CB 3.98Å; Y110-L112 HydrophobicContact CE2-CD2 4.41Å; Y110-L112 PolarHBondContact O-N 3.3Å
111	Q	97.4	Very high	97.6	Very high	38 Å²	38	35.2 Å²	35.2	18%	0.178	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.3	70.3	-169.2	-65.2	-62.7	-25	0	0	113.8	V197 I198 R199 N202	Q111-V197 PolarHBondContact NE2-O 3.38Å; Q111-I198 PolarHBondContact NE2-O 3.24Å; Q111-R199 HydrophobicContact CB-CG 4.22Å; Q111-R199 HydrophobicContact CG-CG 4Å; Q111-N202 PolarHBondContact NE2-OD1 2.77Å
112	L	97.6	Very high	97.5	Very high	4 Å²	4	34.9 Å²	34.9	2%	0.021	17%	0.174	C	C	.	.			trans	-85.6	151.5	176.1	-166.3	60.1	0	0	0	113.3	T46 I47 Y104 Y110 A116	T46-L112 HydrophobicContact CG2-CD1 4.01Å; I47-L112 HydrophobicContact CD1-CD1 4.29Å; I47-L112 HydrophobicContact CD1-CD2 4.1Å; I47-L112 HydrophobicContact CG1-CD1 3.88Å; I47-L112 HydrophobicContact CG1-CD2 3.92Å; Y104-L112 HydrophobicContact CD2-CD2 3.55Å; Y104-L112 HydrophobicContact CE2-CD2 3.64Å; Y110-L112 HydrophobicContact CD2-CB 4.28Å; Y110-L112 HydrophobicContact CE2-CB 3.98Å; Y110-L112 HydrophobicContact CE2-CD2 4.41Å; Y110-L112 PolarHBondContact O-N 3.3Å; L112-A116 HydrophobicContact CD1-CB 3.96Å; L112-A116 HydrophobicContact CD2-CB 3.81Å; L112-A116 HydrophobicContact CG-CB 3.83Å
113	I	95.8	Very high	97.5	Very high	4 Å²	4	32.9 Å²	32.9	2%	0.021	16%	0.157	C	C	.	.			trans	-78.8	142	171.9	62.5	-178.9	0	0	0	111.3	N39 E42 A43 C115 A116 R199	N39-I113 HydrophobicContact CB-CD1 3.82Å; N39-I113 VanDerWaalsContact O-CD1 3.31Å; N39-I113 WeakPolarHBondContact O-CD1 3.27Å; E42-I113 HydrophobicContact CB-CD1 4.41Å; E42-I113 VanDerWaalsContact CD-CG2 3.48Å; E42-I113 HydrophobicContact CG-CG2 4.39Å; E42-I113 WeakPolarHBondContact OE1-CG2 3.32Å; A43-I113 HydrophobicContact CB-CD1 4.28Å; A43-I113 HydrophobicContact CB-CG1 4.41Å; I113-C115 PolarHBondContact O-N 3.3Å; I113-A116 HydrophobicContact CG1-CB 4.18Å; I113-A116 WeakPolarHBondContact O-CB 3.45Å; I113-A116 PolarHBondContact O-N 3.09Å; I113-R199 VanDerWaalsContact CG2-NH2 3.34Å
114	D	92.9	Very high	97.5	Very high	61 Å²	61	36 Å²	36	33%	0.326	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-23.3	-175.1	-52.5	-83.1	0	0	0	113.3	A116 K234 L237	D114-A116 VanDerWaalsContact C-N 3.31Å; D114-K234 IonicContact OD1-NZ 2.59Å; D114-K234 PolarHBondContact OD1-NZ 3.46Å; D114-K234 IonicContact OD2-NZ 2.62Å; D114-K234 PolarHBondContact OD2-NZ 3.37Å; D114-L237 HydrophobicContact CB-CD1 4.14Å
115	C	96.2	Very high	97.5	Very high	6 Å²	6	38.2 Å²	38.2	4%	0.041	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	4.2	-180	55.3	0	0	0	0	114.3	I113 Q117 Y118 F119 R140	I113-C115 PolarHBondContact O-N 3.3Å; C115-Q117 PolarHBondContact O-N 3.49Å; C115-Y118 PolarHBondContact O-N 3.48Å; C115-F119 HydrophobicContact CB-CD2 3.86Å; C115-F119 HydrophobicContact CB-CE2 3.69Å; C115-F119 WeakPolarHBondContact O-CD2 3.4Å; C115-F119 PolarHBondContact O-N 2.91Å; C115-F119 VanDerWaalsContact O-N 3.15Å; C115-R140 HydrophobicContact CB-CB 4.37Å; C115-R140 WeakPolarHBondContact CB-O 3.33Å; C115-R140 PolarHBondContact SG-O 3.07Å; C115-R140 VanDerWaalsContact SG-O 3.38Å
116	A	98.1	Very high	97.6	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.008	17%	0.172	C	C	.	.	H	α-helix	trans	-52	-58.4	-176.4	0	0	0	0	0	112.5	A43 Y104 L112 I113 D114 Y118 F119 L120	A43-A116 HydrophobicContact CB-CB 3.62Å; Y104-A116 HydrophobicContact CE2-CB 4.28Å; L112-A116 HydrophobicContact CD1-CB 3.96Å; L112-A116 HydrophobicContact CD2-CB 3.81Å; L112-A116 HydrophobicContact CG-CB 3.83Å; I113-A116 HydrophobicContact CG1-CB 4.18Å; I113-A116 WeakPolarHBondContact O-CB 3.45Å; I113-A116 PolarHBondContact O-N 3.09Å; D114-A116 VanDerWaalsContact C-N 3.31Å; A116-Y118 VanDerWaalsContact C-N 3.35Å; A116-Y118 PolarHBondContact O-N 3.09Å; A116-F119 PolarHBondContact O-N 3.01Å; A116-L120 WeakPolarHBondContact O-CB 3.48Å; A116-L120 WeakPolarHBondContact O-CG 3.12Å; A116-L120 PolarHBondContact O-N 3.16Å
117	Q	98	Very high	97.5	Very high	49 Å²	49	34.7 Å²	34.7	23%	0.229	18%	0.176	C	C	.	.	H	α-helix	trans	-59.6	-44.2	179.9	172.4	173.9	6.9	0	0	112.2	W95 Y104 C115 F119 L120 D121	W95-Q117 HydrophobicContact CH2-CB 4.31Å; W95-Q117 HydrophobicContact CZ2-CB 4.08Å; W95-Q117 HydrophobicContact CZ2-CG 4.09Å; Y104-Q117 HydrophobicContact CE1-CB 4.41Å; Y104-Q117 HydrophobicContact CE2-CB 4.3Å; Y104-Q117 WeakPolarHBondContact OH-CB 3.36Å; Y104-Q117 PolarHBondContact OH-OE1 3.27Å; C115-Q117 PolarHBondContact O-N 3.49Å; Q117-F119 VanDerWaalsContact C-N 3.29Å; Q117-F119 PolarHBondContact O-N 3.34Å; Q117-L120 PolarHBondContact O-N 2.93Å; Q117-D121 WeakPolarHBondContact CG-OD2 3.35Å; Q117-D121 PolarHBondContact NE2-OD2 2.95Å; Q117-D121 VanDerWaalsContact O-CB 3.29Å; Q117-D121 WeakPolarHBondContact O-CB 3.46Å; Q117-D121 PolarHBondContact O-N 3.2Å
118	Y	97.9	Very high	97.6	Very high	41 Å²	41	37.8 Å²	37.8	16%	0.161	19%	0.187	C	C	.	.	H	α-helix	trans	-57.8	-39.7	-178.1	176	-95.2	0	0	0	113.3	C115 A116 K122 Q136 D137 R140	C115-Y118 PolarHBondContact O-N 3.48Å; A116-Y118 VanDerWaalsContact C-N 3.35Å; A116-Y118 PolarHBondContact O-N 3.09Å; Y118-K122 VanDerWaalsContact CE1-NZ 3.33Å; Y118-K122 VanDerWaalsContact CZ-CE 3.47Å; Y118-K122 WeakPolarHBondContact O-CE 3.01Å; Y118-K122 WeakPolarHBondContact O-CG 3.13Å; Y118-K122 PolarHBondContact OH-NZ 2.83Å; Y118-Q136 HydrophobicContact CE2-CG 4.25Å; Y118-Q136 WeakPolarHBondContact OH-CG 3.11Å; Y118-D137 WeakPolarHBondContact CE1-OD1 3.49Å; Y118-D137 PolarHBondContact OH-OD1 3.45Å; Y118-R140 HydrophobicContact CD1-CB 3.73Å; Y118-R140 HydrophobicContact CD1-CG 3.85Å; Y118-R140 HydrophobicContact CD2-CG 4.34Å; Y118-R140 VanDerWaalsContact CD2-NH1 3.35Å; Y118-R140 HydrophobicContact CE1-CB 3.78Å; Y118-R140 HydrophobicContact CE1-CG 3.78Å; Y118-R140 HydrophobicContact CE2-CG 4.27Å; Y118-R140 HydrophobicContact CG-CB 4.4Å; Y118-R140 HydrophobicContact CG-CG 4.12Å
119	F	98.6	Very high	97.4	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-83.5	-36.1	178.3	-68	-52	0	0	0	112.7	I36 N39 L40 C115 A116 Q117 K122 I123 I126 D137 R140 C141	I36-F119 HydrophobicContact CB-CE1 4.45Å; I36-F119 HydrophobicContact CG1-CE1 4.18Å; I36-F119 HydrophobicContact CG1-CZ 4.09Å; I36-F119 HydrophobicContact CG2-CD1 3.85Å; I36-F119 HydrophobicContact CG2-CE1 3.63Å; I36-F119 HydrophobicContact CG2-CZ 4.16Å; N39-F119 HydrophobicContact CB-CD2 3.95Å; N39-F119 HydrophobicContact CB-CE2 3.97Å; L40-F119 HydrophobicContact CB-CB 4.31Å; C115-F119 HydrophobicContact CB-CD2 3.86Å; C115-F119 HydrophobicContact CB-CE2 3.69Å; C115-F119 WeakPolarHBondContact O-CD2 3.4Å; C115-F119 PolarHBondContact O-N 2.91Å; C115-F119 VanDerWaalsContact O-N 3.15Å; A116-F119 PolarHBondContact O-N 3.01Å; Q117-F119 VanDerWaalsContact C-N 3.29Å; Q117-F119 PolarHBondContact O-N 3.34Å; F119-K122 CarbonylContact O-C 3.54Å; F119-K122 PolarHBondContact O-N 3.32Å; F119-K122 VanDerWaalsContact O-N 3.12Å; F119-I123 PolarHBondContact O-N 3.22Å; F119-I126 HydrophobicContact CB-CD1 4.15Å; F119-I126 HydrophobicContact CD1-CD1 3.83Å; F119-I126 HydrophobicContact CG-CD1 4.42Å; F119-D137 HydrophobicContact CE1-CB 4.31Å; F119-R140 HydrophobicContact CE2-CB 4.49Å; F119-R140 HydrophobicContact CZ-CB 4.06Å; F119-C141 HydrophobicContact CZ-CB 4.24Å
120	L	98.7	Very high	97.3	Very high	4 Å²	4	43.8 Å²	43.8	2%	0.021	24%	0.238	C	C	.	.	H	α-helix	trans	-66.8	-36.2	177.3	-67.3	171.5	0	0	0	112.3	L40 A43 I44 I47 W95 A116 Q117 K122 I123	L40-L120 HydrophobicContact CD2-CD2 4.45Å; L40-L120 HydrophobicContact CG-CD2 4.36Å; A43-L120 HydrophobicContact CB-CD1 4.03Å; A43-L120 HydrophobicContact CB-CG 4.24Å; I44-L120 HydrophobicContact CB-CD2 3.92Å; I44-L120 HydrophobicContact CD1-CD2 4.42Å; I47-L120 HydrophobicContact CD1-CD1 3.83Å; W95-L120 HydrophobicContact CD2-CB 3.7Å; W95-L120 HydrophobicContact CD2-CD1 3.87Å; W95-L120 HydrophobicContact CD2-CG 4.34Å; W95-L120 VanDerWaalsContact CE2-CB 3.45Å; W95-L120 HydrophobicContact CE3-CB 4.35Å; W95-L120 HydrophobicContact CE3-CD1 3.63Å; W95-L120 HydrophobicContact CG-CB 3.86Å; W95-L120 HydrophobicContact CH2-CB 4.36Å; W95-L120 HydrophobicContact CH2-CD1 3.73Å; W95-L120 HydrophobicContact CZ2-CB 3.79Å; W95-L120 HydrophobicContact CZ2-CD1 4.04Å; W95-L120 HydrophobicContact CZ3-CD1 3.58Å; A116-L120 WeakPolarHBondContact O-CB 3.48Å; A116-L120 WeakPolarHBondContact O-CG 3.12Å; A116-L120 PolarHBondContact O-N 3.16Å; Q117-L120 PolarHBondContact O-N 2.93Å; L120-K122 PolarHBondContact O-N 3.24Å; L120-K122 VanDerWaalsContact O-N 3.09Å; L120-I123 HydrophobicContact CD2-CD1 4.07Å; L120-I123 VanDerWaalsContact O-CD1 3.25Å; L120-I123 WeakPolarHBondContact O-CD1 3.36Å; L120-I123 VanDerWaalsContact O-CG1 3.25Å; L120-I123 WeakPolarHBondContact O-CG1 3.13Å; L120-I123 PolarHBondContact O-N 3Å
121	D	98.6	Very high	97.2	Very high	92 Å²	92	43.6 Å²	43.6	49%	0.492	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-10.4	174.2	-69.6	-10.5	0	0	0	112.9	W95 Q117	W95-D121 PolarHBondContact NE1-OD1 2.95Å; Q117-D121 WeakPolarHBondContact CG-OD2 3.35Å; Q117-D121 PolarHBondContact NE2-OD2 2.95Å; Q117-D121 VanDerWaalsContact O-CB 3.29Å; Q117-D121 WeakPolarHBondContact O-CB 3.46Å; Q117-D121 PolarHBondContact O-N 3.2Å
122	K	97.8	Very high	97.1	Very high	48 Å²	48	47 Å²	47	21%	0.209	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-126.6	23.1	-174.3	-58.9	-166.5	-56.4	160.2	0	113.6	Y118 F119 L120 D124 V125 I126 D137	Y118-K122 VanDerWaalsContact CE1-NZ 3.33Å; Y118-K122 VanDerWaalsContact CZ-CE 3.47Å; Y118-K122 WeakPolarHBondContact O-CE 3.01Å; Y118-K122 WeakPolarHBondContact O-CG 3.13Å; Y118-K122 PolarHBondContact OH-NZ 2.83Å; F119-K122 CarbonylContact O-C 3.54Å; F119-K122 PolarHBondContact O-N 3.32Å; F119-K122 VanDerWaalsContact O-N 3.12Å; L120-K122 PolarHBondContact O-N 3.24Å; L120-K122 VanDerWaalsContact O-N 3.09Å; K122-D124 PolarHBondContact O-N 3.45Å; K122-V125 PolarHBondContact O-N 3.26Å; K122-I126 HydrophobicContact CB-CD1 4.37Å; K122-I126 PolarHBondContact O-N 2.84Å; K122-I126 VanDerWaalsContact O-N 3.09Å; K122-D137 IonicContact NZ-OD1 3.1Å; K122-D137 PolarHBondContact NZ-OD1 3.41Å
123	I	98.7	Very high	97	Very high	3 Å²	3	48 Å²	48	2%	0.015	27%	0.266	C	S	.	.	H	α-helix	trans	-50.7	-42.3	177.2	-71.7	161.3	0	0	0	111.4	L40 Y88 A91 K92 F119 L120 V125 I126 K127	L40-I123 HydrophobicContact CD1-CG1 3.91Å; L40-I123 HydrophobicContact CD2-CG1 4.41Å; L40-I123 HydrophobicContact CG-CG1 4.33Å; Y88-I123 HydrophobicContact CD1-CG2 4.14Å; A91-I123 HydrophobicContact CB-CD1 4.28Å; K92-I123 HydrophobicContact CB-CB 4.5Å; K92-I123 HydrophobicContact CB-CD1 3.97Å; K92-I123 HydrophobicContact CB-CG2 4.08Å; F119-I123 PolarHBondContact O-N 3.22Å; L120-I123 HydrophobicContact CD2-CD1 4.07Å; L120-I123 VanDerWaalsContact O-CD1 3.25Å; L120-I123 WeakPolarHBondContact O-CD1 3.36Å; L120-I123 VanDerWaalsContact O-CG1 3.25Å; L120-I123 WeakPolarHBondContact O-CG1 3.13Å; L120-I123 PolarHBondContact O-N 3Å; I123-V125 VanDerWaalsContact C-N 3.25Å; I123-V125 PolarHBondContact O-N 3.34Å; I123-I126 PolarHBondContact O-N 3.22Å; I123-K127 WeakPolarHBondContact O-CB 3.28Å; I123-K127 WeakPolarHBondContact O-CG 3.37Å; I123-K127 PolarHBondContact O-N 2.7Å
124	D	98.4	Very high	96.9	Very high	64 Å²	64	50.2 Å²	50.2	34%	0.342	28%	0.283	S	S	.	.	H	α-helix	trans	-65.1	-26.3	-178.7	-70.2	-41	0	0	0	114.4	K92 K122 K127 Q128	K92-D124 WeakPolarHBondContact CE-OD2 3.31Å; K92-D124 VanDerWaalsContact NZ-CG 3.32Å; K92-D124 IonicContact NZ-OD1 2.7Å; K92-D124 PolarHBondContact NZ-OD1 2.85Å; K92-D124 IonicContact NZ-OD2 2.57Å; K92-D124 PolarHBondContact NZ-OD2 3.37Å; K122-D124 PolarHBondContact O-N 3.45Å; D124-K127 WeakPolarHBondContact OD1-CE 3.46Å; D124-K127 IonicContact OD1-NZ 2.66Å; D124-K127 PolarHBondContact OD1-NZ 3.42Å; D124-Q128 WeakPolarHBondContact O-CG 3.21Å; D124-Q128 PolarHBondContact O-NE2 3.19Å
125	V	98.2	Very high	96.9	Very high	79 Å²	79	53.5 Å²	53.5	48%	0.479	30%	0.3	S	S	.	.	H	α-helix	trans	-80.5	-46	175.4	179.1	0	0	0	0	109.7	K122 I123 K127 Q128 Y131	K122-V125 PolarHBondContact O-N 3.26Å; I123-V125 VanDerWaalsContact C-N 3.25Å; I123-V125 PolarHBondContact O-N 3.34Å; V125-K127 VanDerWaalsContact C-N 3.31Å; V125-K127 PolarHBondContact O-N 3.36Å; V125-Q128 PolarHBondContact O-N 3.34Å; V125-Y131 HydrophobicContact CG1-CD2 4.01Å; V125-Y131 HydrophobicContact CG1-CE2 4.06Å
126	I	98.1	Very high	96.7	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-70.2	-28.1	-175.1	-64.2	163	0	0	0	112	I36 K37 L40 Y88 F119 K122 I123 Q128 Y131	I36-I126 HydrophobicContact CG2-CD1 4.11Å; I36-I126 HydrophobicContact CG2-CG1 4.38Å; I36-I126 HydrophobicContact CG2-CG2 4.39Å; K37-I126 HydrophobicContact CG-CG2 4.08Å; L40-I126 HydrophobicContact CD1-CB 4.2Å; L40-I126 HydrophobicContact CD1-CD1 3.77Å; L40-I126 HydrophobicContact CD1-CG2 3.97Å; Y88-I126 HydrophobicContact CE1-CG2 4.41Å; F119-I126 HydrophobicContact CB-CD1 4.15Å; F119-I126 HydrophobicContact CD1-CD1 3.83Å; F119-I126 HydrophobicContact CG-CD1 4.42Å; K122-I126 HydrophobicContact CB-CD1 4.37Å; K122-I126 PolarHBondContact O-N 2.84Å; K122-I126 VanDerWaalsContact O-N 3.09Å; I123-I126 PolarHBondContact O-N 3.22Å; I126-Q128 VanDerWaalsContact C-N 3.28Å; I126-Q128 PolarHBondContact O-N 3.45Å; I126-Y131 HydrophobicContact CG1-CE1 4.25Å; I126-Y131 HydrophobicContact CG1-CE2 4.35Å; I126-Y131 HydrophobicContact CG2-CD1 4.43Å; I126-Y131 HydrophobicContact CG2-CE1 4.31Å
127	K	97.7	Very high	96.6	Very high	59 Å²	59	56.4 Å²	56.4	26%	0.257	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-14.4	-180	78.4	-174.5	-172	-172.1	0	114.3	Y88 E89 I123 D124 V125	Y88-K127 HydrophobicContact CD1-CB 3.74Å; Y88-K127 HydrophobicContact CD2-CB 3.71Å; Y88-K127 HydrophobicContact CE1-CB 4.13Å; Y88-K127 HydrophobicContact CE2-CB 4.1Å; Y88-K127 HydrophobicContact CG-CB 3.5Å; Y88-K127 VanDerWaalsContact CG-CB 3.5Å; E89-K127 IonicContact OE1-NZ 2.8Å; E89-K127 PolarHBondContact OE1-NZ 2.88Å; I123-K127 WeakPolarHBondContact O-CB 3.28Å; I123-K127 WeakPolarHBondContact O-CG 3.37Å; I123-K127 PolarHBondContact O-N 2.7Å; D124-K127 WeakPolarHBondContact OD1-CE 3.46Å; D124-K127 IonicContact OD1-NZ 2.66Å; D124-K127 PolarHBondContact OD1-NZ 3.42Å; V125-K127 VanDerWaalsContact C-N 3.31Å; V125-K127 PolarHBondContact O-N 3.36Å
128	Q	97.9	Very high	96.4	Very high	93 Å²	93	56.8 Å²	56.8	44%	0.435	32%	0.316	S	S	.	.	S	Bend	trans	-66.4	140.7	-178.7	-58.1	-56.3	-42.4	0	0	111	D124 V125 I126 D130 Y131	D124-Q128 WeakPolarHBondContact O-CG 3.21Å; D124-Q128 PolarHBondContact O-NE2 3.19Å; V125-Q128 PolarHBondContact O-N 3.34Å; I126-Q128 VanDerWaalsContact C-N 3.28Å; I126-Q128 PolarHBondContact O-N 3.45Å; Q128-D130 WeakPolarHBondContact CB-OD1 3.16Å; Q128-D130 PolarHBondContact O-N 3.42Å; Q128-Y131 VanDerWaalsContact O-CB 3.26Å; Q128-Y131 WeakPolarHBondContact O-CB 3.21Å; Q128-Y131 PolarHBondContact O-N 3.14Å; Q128-Y131 VanDerWaalsContact O-N 3.16Å
129	A	94.4	Very high	96	Very high	114 Å²	114	58.4 Å²	58.4	94%	0.942	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-26.9	-178.8	0	0	0	0	0	112.8
130	D	94.7	Very high	95.8	Very high	133 Å²	133	61.8 Å²	61.8	71%	0.711	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.6	17.4	177.5	65.4	-23.9	0	0	0	112.9	Q128 V132	Q128-D130 WeakPolarHBondContact CB-OD1 3.16Å; Q128-D130 PolarHBondContact O-N 3.42Å; D130-V132 PolarHBondContact O-N 3.27Å
131	Y	95.9	Very high	95.6	Very high	22 Å²	22	62.8 Å²	62.8	9%	0.086	35%	0.347	C	S	.	.			trans	-56.3	122.2	177.7	171.3	-120.3	0	0	0	111.6	V33 I36 V125 I126 Q128 P133 D137	V33-Y131 HydrophobicContact CG1-CD1 4.24Å; V33-Y131 HydrophobicContact CG2-CD1 4.39Å; I36-Y131 HydrophobicContact CG2-CE1 4.32Å; V125-Y131 HydrophobicContact CG1-CD2 4.01Å; V125-Y131 HydrophobicContact CG1-CE2 4.06Å; I126-Y131 HydrophobicContact CG1-CE1 4.25Å; I126-Y131 HydrophobicContact CG1-CE2 4.35Å; I126-Y131 HydrophobicContact CG2-CD1 4.43Å; I126-Y131 HydrophobicContact CG2-CE1 4.31Å; Q128-Y131 VanDerWaalsContact O-CB 3.26Å; Q128-Y131 WeakPolarHBondContact O-CB 3.21Å; Q128-Y131 PolarHBondContact O-N 3.14Å; Q128-Y131 VanDerWaalsContact O-N 3.16Å; Y131-P133 HydrophobicContact CD1-CG 4.5Å; Y131-P133 HydrophobicContact CE1-CB 4.46Å; Y131-P133 HydrophobicContact CE1-CG 3.79Å; Y131-P133 WeakPolarHBondContact OH-CA 3.37Å; Y131-D137 VanDerWaalsContact OH-CG 3.28Å; Y131-D137 PolarHBondContact OH-OD2 3.32Å
132	V	94.5	Very high	95.3	Very high	111 Å²	111	61.2 Å²	61.2	67%	0.673	34%	0.335	S	S	*	.			trans	-114.4	118.9	171.1	-179	0	0	0	0	108.4	D130 S134	D130-V132 PolarHBondContact O-N 3.27Å; V132-S134 PolarHBondContact O-N 2.9Å
133	P	95.8	Very high	94.9	Very high	23 Å²	23	63.2 Å²	63.2	15%	0.149	35%	0.351	C	S	.	.			trans	-59.3	132.6	177.7	-25.3	34.5	0	0	0	112.1	V33 I36 Y131 D137 L138	V33-P133 HydrophobicContact CG2-CG 3.55Å; I36-P133 HydrophobicContact CD1-CB 3.55Å; I36-P133 HydrophobicContact CD1-CG 3.64Å; Y131-P133 HydrophobicContact CD1-CG 4.5Å; Y131-P133 HydrophobicContact CE1-CB 4.46Å; Y131-P133 HydrophobicContact CE1-CG 3.79Å; Y131-P133 WeakPolarHBondContact OH-CA 3.37Å; P133-D137 HydrophobicContact CB-CB 4.08Å; P133-L138 HydrophobicContact CB-CD2 3.86Å; P133-L138 HydrophobicContact CB-CG 4.33Å
134	S	94.5	Very high	94.2	Very high	52 Å²	52	67.4 Å²	67.4	36%	0.364	37%	0.372	S	S	.	.			trans	-73	160.7	167.4	63.5	0	0	0	0	110.9	V132 Q136 D137 L138	V132-S134 PolarHBondContact O-N 2.9Å; S134-Q136 PolarHBondContact O-N 3.38Å; S134-Q136 VanDerWaalsContact O-N 3.16Å; S134-D137 PolarHBondContact N-OD2 3.47Å; S134-D137 WeakPolarHBondContact O-CA 3.47Å; S134-D137 VanDerWaalsContact O-CB 3.32Å; S134-D137 WeakPolarHBondContact O-CB 3.28Å; S134-D137 PolarHBondContact O-N 2.9Å; S134-D137 PolarHBondContact OG-N 2.99Å; S134-D137 PolarHBondContact OG-OD1 2.94Å; S134-D137 PolarHBondContact OG-OD2 3.15Å; S134-L138 PolarHBondContact O-N 3.18Å; S134-L138 VanDerWaalsContact O-N 3.09Å
135	D	91.3	Very high	93.3	Very high	130 Å²	130	66.5 Å²	66.5	70%	0.695	37%	0.369	S	S	*	.	H	α-helix	trans	-56.1	-33.3	172.7	-67.2	-24.3	0	0	0	111.7	D137 L138 L139	D135-D137 VanDerWaalsContact C-N 3.34Å; D135-D137 PolarHBondContact O-N 3.33Å; D135-L138 PolarHBondContact O-N 3.45Å; D135-L139 WeakPolarHBondContact O-CG 3.49Å; D135-L139 PolarHBondContact O-N 3.15Å
136	Q	93.4	Very high	92.7	Very high	62 Å²	62	66.4 Å²	66.4	29%	0.29	37%	0.372	S	S	.	.	H	α-helix	trans	-65.9	-35.8	175	-164.3	62.6	31.4	0	0	112.4	Y118 S134 L139 R140 V308	Y118-Q136 HydrophobicContact CE2-CG 4.25Å; Y118-Q136 WeakPolarHBondContact OH-CG 3.11Å; S134-Q136 PolarHBondContact O-N 3.38Å; S134-Q136 VanDerWaalsContact O-N 3.16Å; Q136-L139 PolarHBondContact O-N 3.04Å; Q136-R140 WeakPolarHBondContact O-CB 3.39Å; Q136-R140 WeakPolarHBondContact O-CG 3.37Å; Q136-R140 PolarHBondContact O-N 3.41Å; Q136-R140 VanDerWaalsContact O-N 3.09Å; Q136-V308 PolarHBondContact NE2-O 2.86Å; Q136-V308 PolarHBondContact OE1-O 3.33Å
137	D	95.5	Very high	92.2	Very high	5 Å²	5	67.1 Å²	67.1	3%	0.027	38%	0.38	C	S	.	.	H	α-helix	trans	-65	-42.8	173.5	-60.7	-33.6	0	0	0	111.2	I36 Y118 F119 K122 Y131 P133 S134 D135 L139 R140 C141	I36-D137 HydrophobicContact CD1-CB 3.81Å; Y118-D137 WeakPolarHBondContact CE1-OD1 3.49Å; Y118-D137 PolarHBondContact OH-OD1 3.45Å; F119-D137 HydrophobicContact CE1-CB 4.31Å; K122-D137 IonicContact NZ-OD1 3.1Å; K122-D137 PolarHBondContact NZ-OD1 3.41Å; Y131-D137 VanDerWaalsContact OH-CG 3.28Å; Y131-D137 PolarHBondContact OH-OD2 3.32Å; P133-D137 HydrophobicContact CB-CB 4.08Å; S134-D137 PolarHBondContact N-OD2 3.47Å; S134-D137 WeakPolarHBondContact O-CA 3.47Å; S134-D137 VanDerWaalsContact O-CB 3.32Å; S134-D137 WeakPolarHBondContact O-CB 3.28Å; S134-D137 PolarHBondContact O-N 2.9Å; S134-D137 PolarHBondContact OG-N 2.99Å; S134-D137 PolarHBondContact OG-OD1 2.94Å; S134-D137 PolarHBondContact OG-OD2 3.15Å; D135-D137 VanDerWaalsContact C-N 3.34Å; D135-D137 PolarHBondContact O-N 3.33Å; D137-L139 PolarHBondContact O-N 3.26Å; D137-R140 PolarHBondContact O-N 2.65Å; D137-C141 WeakPolarHBondContact O-CB 3.38Å; D137-C141 PolarHBondContact O-N 3.22Å
138	L	93.6	Very high	91.6	Very high	57 Å²	57	66.7 Å²	66.7	30%	0.298	38%	0.38	S	S	.	.	H	α-helix	trans	-64	-40.9	178	-58.8	-177.4	0	0	0	111.8	K32 I36 P133 S134 D135 R140 C141	K32-L138 HydrophobicContact CB-CD2 3.76Å; K32-L138 HydrophobicContact CD-CD1 4.16Å; K32-L138 HydrophobicContact CD-CD2 3.73Å; K32-L138 HydrophobicContact CG-CD2 3.96Å; I36-L138 HydrophobicContact CD1-CD2 4.3Å; P133-L138 HydrophobicContact CB-CD2 3.86Å; P133-L138 HydrophobicContact CB-CG 4.33Å; S134-L138 PolarHBondContact O-N 3.18Å; S134-L138 VanDerWaalsContact O-N 3.09Å; D135-L138 PolarHBondContact O-N 3.45Å; L138-R140 VanDerWaalsContact C-N 3.3Å; L138-R140 PolarHBondContact O-N 3.17Å; L138-C141 PolarHBondContact O-N 3.5Å
139	L	90.1	Very high	91.2	Very high	76 Å²	76	67.7 Å²	67.7	40%	0.398	38%	0.383	S	S	.	.	H	α-helix	trans	-68	-28.7	176.6	-71	172.8	0	0	0	113.1	D135 Q136 D137	D135-L139 WeakPolarHBondContact O-CG 3.49Å; D135-L139 PolarHBondContact O-N 3.15Å; Q136-L139 PolarHBondContact O-N 3.04Å; D137-L139 PolarHBondContact O-N 3.26Å
140	R	93.8	Very high	90.9	Very high	70 Å²	70	67.7 Å²	67.7	26%	0.264	36%	0.363	S	S	.	.	H	α-helix	trans	-87.8	-23.4	178.2	-66.9	-72.7	177.7	104.7	-6	112.7	C115 Y118 F119 Q136 D137 L138 R142	C115-R140 HydrophobicContact CB-CB 4.37Å; C115-R140 WeakPolarHBondContact CB-O 3.33Å; C115-R140 PolarHBondContact SG-O 3.07Å; C115-R140 VanDerWaalsContact SG-O 3.38Å; Y118-R140 HydrophobicContact CD1-CB 3.73Å; Y118-R140 HydrophobicContact CD1-CG 3.85Å; Y118-R140 HydrophobicContact CD2-CG 4.34Å; Y118-R140 VanDerWaalsContact CD2-NH1 3.35Å; Y118-R140 HydrophobicContact CE1-CB 3.78Å; Y118-R140 HydrophobicContact CE1-CG 3.78Å; Y118-R140 HydrophobicContact CE2-CG 4.27Å; Y118-R140 HydrophobicContact CG-CB 4.4Å; Y118-R140 HydrophobicContact CG-CG 4.12Å; F119-R140 HydrophobicContact CE2-CB 4.49Å; F119-R140 HydrophobicContact CZ-CB 4.06Å; Q136-R140 WeakPolarHBondContact O-CB 3.39Å; Q136-R140 WeakPolarHBondContact O-CG 3.37Å; Q136-R140 PolarHBondContact O-N 3.41Å; Q136-R140 VanDerWaalsContact O-N 3.09Å; D137-R140 PolarHBondContact O-N 2.65Å; L138-R140 VanDerWaalsContact C-N 3.3Å; L138-R140 PolarHBondContact O-N 3.17Å; R140-R142 PolarHBondContact O-N 2.7Å
141	C	95.1	Very high	90.7	Very high	25 Å²	25	65 Å²	65	17%	0.169	35%	0.352	C	S	.	.			trans	-59	130.2	178.2	-175.6	0	0	0	0	110.2	D35 I36 N39 F119 D137 L138	D35-C141 VanDerWaalsContact CB-SG 3.58Å; I36-C141 HydrophobicContact CG1-CB 3.96Å; N39-C141 WeakPolarHBondContact OD1-CA 3.33Å; N39-C141 PolarHBondContact OD1-SG 2.99Å; F119-C141 HydrophobicContact CZ-CB 4.24Å; D137-C141 WeakPolarHBondContact O-CB 3.38Å; D137-C141 PolarHBondContact O-N 3.22Å; L138-C141 PolarHBondContact O-N 3.5Å
142	R	91.7	Very high	90.4	Very high	60 Å²	60	70.8 Å²	70.8	23%	0.226	38%	0.378	C	S	.	.			trans	-100.6	111.3	179.3	-178.2	175.7	-179	161.7	1.4	109.3	N39 R140 R199	N39-R142 PolarHBondContact ND2-O 3.34Å; N39-R142 PolarHBondContact OD1-N 3.45Å; R140-R142 PolarHBondContact O-N 2.7Å; R142-R199 VanDerWaalsContact NH2-CZ 3.35Å; R142-R199 VanDerWaalsContact NH2-NH1 3.12Å
143	V	88.4	Confident	90	Very high	90 Å²	90	68.6 Å²	68.6	55%	0.545	36%	0.359	S	S	.	.			trans	-118.2	126.9	166.3	-177.4	0	0	0	0	107.7	D35 T145	D35-V143 HydrophobicContact CB-CG2 4.17Å; V143-T145 PolarHBondContact O-N 3.08Å
144	L	84.1	Confident	89.5	Confident	90 Å²	90	72.5 Å²	72.5	47%	0.471	38%	0.375	S	S	.	.			trans	-74.3	112.5	179.6	-67.2	175.7	0	0	0	109.6	S146	L144-S146 PolarHBondContact O-N 3.32Å
145	T	81.1	Confident	88.9	Confident	45 Å²	45	71.9 Å²	71.9	28%	0.276	37%	0.369	S	S	.	.			trans	-64.1	113.7	173.1	-47.5	0	0	0	0	110.4	V143 F149 D164	V143-T145 PolarHBondContact O-N 3.08Å; T145-F149 HydrophobicContact CG2-CD2 3.32Å; T145-F149 HydrophobicContact CG2-CE2 3.43Å; T145-F149 VanDerWaalsContact CG2-CE2 3.43Å; T145-D164 PolarHBondContact OG1-OD2 3.14Å
146	S	85.4	Confident	88.4	Confident	78 Å²	78	71.3 Å²	71.3	55%	0.545	37%	0.366	S	S	.	.			trans	-111.4	123.6	168.5	-178.7	0	0	0	0	109.2	L144 F149	L144-S146 PolarHBondContact O-N 3.32Å; S146-F149 VanDerWaalsContact O-CE2 3.3Å; S146-F149 WeakPolarHBondContact O-CE2 3.11Å
147	G	86.8	Confident	87.8	Confident	15 Å²	15	75.8 Å²	75.8	16%	0.155	39%	0.385	C	S	.	.	S	Bend	trans	93.9	-150.8	-174.7	0	0	0	0	0	114	G166 E171	G147-G166 PolarHBondContact O-N 3.23Å; G147-G166 VanDerWaalsContact O-N 3.12Å; G147-E171 WeakPolarHBondContact CA-OE2 3.38Å; G147-E171 PolarHBondContact N-OE2 3.43Å
148	I	86.4	Confident	87	Confident	49 Å²	49	75.7 Å²	75.7	25%	0.251	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	125.5	-174.2	-61	160.3	0	0	0	106.8	F163 D164 V165 K174 Q177 C178	I148-F163 HydrophobicContact CG2-CB 4.44Å; I148-F163 HydrophobicContact CG2-CD1 4.09Å; I148-D164 WeakPolarHBondContact CA-O 3.44Å; I148-V165 HydrophobicContact CB-CG1 4.5Å; I148-V165 HydrophobicContact CG1-CG1 3.99Å; I148-V165 HydrophobicContact CG2-CG1 4.2Å; I148-K174 HydrophobicContact CD1-CB 4.29Å; I148-Q177 HydrophobicContact CD1-CB 4.22Å; I148-C178 VanDerWaalsContact CD1-SG 3.54Å
149	F	88.1	Confident	86.6	Confident	115 Å²	115	74.9 Å²	74.9	50%	0.504	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	140.8	176.3	-66.4	-95.9	0	0	0	109.6	T145 S146 F163 D164	T145-F149 HydrophobicContact CG2-CD2 3.32Å; T145-F149 HydrophobicContact CG2-CE2 3.43Å; T145-F149 VanDerWaalsContact CG2-CE2 3.43Å; S146-F149 VanDerWaalsContact O-CE2 3.3Å; S146-F149 WeakPolarHBondContact O-CE2 3.11Å; F149-F163 CarbonylContact O-C 3.56Å; F149-F163 VanDerWaalsContact O-CA 3.29Å; F149-F163 WeakPolarHBondContact O-CA 3.23Å; F149-D164 HydrophobicContact CB-CB 4.46Å; F149-D164 PolarHBondContact N-O 3.23Å; F149-D164 PolarHBondContact O-N 3.29Å
150	E	89.2	Confident	86.3	Confident	114 Å²	114	71.4 Å²	71.4	53%	0.533	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	142.3	-176.5	-60.1	-173.4	-154.6	0	0	110.5	H161 M162 F163	E150-H161 IonicContact OE2-CD2 3.38Å; E150-H161 IonicContact OE2-CE1 3.58Å; E150-H161 PolarHBondContact OE2-CE1 2.93Å; E150-H161 IonicContact OE2-NE2 2.92Å; E150-H161 PolarHBondContact OE2-NE2 2.95Å; E150-M162 CarbonylContact C-O 3.59Å; E150-M162 WeakPolarHBondContact CA-O 3.42Å; E150-F163 HydrophobicContact CG-CD1 3.51Å; E150-F163 HydrophobicContact CG-CE1 3.65Å; E150-F163 HydrophobicContact CG-CG 4.43Å; E150-F163 WeakPolarHBondContact OE1-CE1 3.33Å
151	T	89.1	Confident	86.1	Confident	77 Å²	77	69.1 Å²	69.1	47%	0.472	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	130.8	170.5	-55.5	0	0	0	0	108.8	F153 M162	T151-F153 HydrophobicContact CG2-CD1 4.3Å; T151-M162 PolarHBondContact N-O 2.95Å; T151-M162 PolarHBondContact O-N 2.76Å
152	K	89.3	Confident	85.8	Confident	143 Å²	143	69.3 Å²	69.3	62%	0.622	35%	0.353	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.4	134.1	175.5	-66.1	177.1	-176.8	174.4	0	108.6	F160 H161	K152-F160 VanDerWaalsContact CA-O 3.31Å; K152-F160 WeakPolarHBondContact CA-O 3.28Å; K152-H161 WeakPolarHBondContact CE-CE1 3.44Å; K152-H161 WeakPolarHBondContact CE-ND1 3.42Å; K152-H161 WeakPolarHBondContact CE-NE2 3.38Å; K152-H161 HydrophobicContact CG-CB 4.12Å
153	F	87.4	Confident	85.7	Confident	65 Å²	65	67.2 Å²	67.2	29%	0.285	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	156.9	178.4	60.4	-86.5	0	0	0	110.2	T151 V155 F160 M162 F317	T151-F153 HydrophobicContact CG2-CD1 4.3Å; F153-V155 HydrophobicContact CD2-CG2 3.79Å; F153-V155 HydrophobicContact CE2-CG2 3.94Å; F153-F160 HydrophobicContact CD1-CB 4.22Å; F153-F160 HydrophobicContact CD2-CB 4.01Å; F153-F160 HydrophobicContact CD2-CD2 4.22Å; F153-F160 HydrophobicContact CD2-CG 4.43Å; F153-F160 HydrophobicContact CE1-CB 3.82Å; F153-F160 HydrophobicContact CE2-CB 3.6Å; F153-F160 AromaticContact CE2-CD2 3.83Å; F153-F160 HydrophobicContact CE2-CD2 3.83Å; F153-F160 AromaticContact CE2-CG 3.8Å; F153-F160 HydrophobicContact CE2-CG 3.8Å; F153-F160 HydrophobicContact CG-CB 4.31Å; F153-F160 HydrophobicContact CZ-CB 3.49Å; F153-F160 VanDerWaalsContact CZ-CB 3.49Å; F153-F160 HydrophobicContact CZ-CD2 4.48Å; F153-F160 AromaticContact CZ-CG 3.99Å; F153-F160 HydrophobicContact CZ-CG 3.99Å; F153-F160 PolarHBondContact N-O 2.82Å; F153-F160 PolarHBondContact O-N 3.47Å; F153-M162 HydrophobicContact CE1-CB 4.2Å; F153-M162 HydrophobicContact CE1-CE 4.4Å; F153-F317 AromaticContact CE2-CE1 3.98Å; F153-F317 HydrophobicContact CE2-CE1 3.98Å; F153-F317 HydrophobicContact CE2-CE2 4.31Å; F153-F317 AromaticContact CE2-CZ 3.54Å; F153-F317 HydrophobicContact CE2-CZ 3.54Å; F153-F317 HydrophobicContact CZ-CE1 4.5Å; F153-F317 HydrophobicContact CZ-CE2 4.01Å; F153-F317 AromaticContact CZ-CZ 3.66Å; F153-F317 HydrophobicContact CZ-CZ 3.66Å
154	Q	85.9	Confident	85.7	Confident	104 Å²	104	65.1 Å²	65.1	49%	0.486	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	135.1	179	-173.1	178.1	87.3	0	0	109.9	V158 N159	Q154-V158 WeakPolarHBondContact CA-O 3.21Å; Q154-N159 WeakPolarHBondContact CG-OD1 3.44Å; Q154-N159 PolarHBondContact NE2-OD1 3.47Å
155	V	80.8	Confident	86	Confident	40 Å²	40	61 Å²	61	24%	0.242	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	124.3	172.8	-174.2	0	0	0	0	108.4	F153 K157 V158 F160 F317	F153-V155 HydrophobicContact CD2-CG2 3.79Å; F153-V155 HydrophobicContact CE2-CG2 3.94Å; V155-K157 PolarHBondContact O-N 3.05Å; V155-V158 PolarHBondContact N-O 2.98Å; V155-V158 WeakPolarHBondContact O-CB 3.38Å; V155-V158 PolarHBondContact O-N 2.82Å; V155-F160 HydrophobicContact CB-CD2 4.42Å; V155-F160 HydrophobicContact CB-CE2 4.02Å; V155-F160 HydrophobicContact CG2-CD2 4.32Å; V155-F160 HydrophobicContact CG2-CE2 4.32Å; V155-F317 HydrophobicContact CG2-CE1 4.2Å
156	D	81.6	Confident	86.3	Confident	117 Å²	117	58.9 Å²	58.9	63%	0.626	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.6	45	-178.5	-64.7	-24.9	0	0	0	113.2	V158 R321	D156-V158 PolarHBondContact O-N 2.74Å; D156-R321 IonicContact OD2-CZ 2.7Å; D156-R321 IonicContact OD2-NH1 2.84Å; D156-R321 PolarHBondContact OD2-NH1 3.46Å
157	K	80.9	Confident	86.3	Confident	156 Å²	156	57 Å²	57	68%	0.678	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.7	8.8	-178.9	-49.3	177.4	-179	180	0	115.5	F9 V155	F9-K157 HydrophobicContact CD1-CB 4.48Å; V155-K157 PolarHBondContact O-N 3.05Å
158	V	78.5	Confident	86.3	Confident	4 Å²	4	59.8 Å²	59.8	2%	0.024	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	128.2	171.6	-178.7	0	0	0	0	109.2	V6 F9 Q154 V155 D156 F160	V6-V158 HydrophobicContact CG1-CG1 3.66Å; F9-V158 HydrophobicContact CD1-CG2 4.36Å; F9-V158 HydrophobicContact CE1-CG2 3.62Å; F9-V158 HydrophobicContact CE2-CG2 4.43Å; F9-V158 HydrophobicContact CZ-CG2 3.66Å; Q154-V158 WeakPolarHBondContact CA-O 3.21Å; V155-V158 PolarHBondContact N-O 2.98Å; V155-V158 WeakPolarHBondContact O-CB 3.38Å; V155-V158 PolarHBondContact O-N 2.82Å; D156-V158 PolarHBondContact O-N 2.74Å; V158-F160 HydrophobicContact CB-CE2 3.91Å; V158-F160 HydrophobicContact CB-CZ 4.32Å; V158-F160 HydrophobicContact CG1-CD2 4.42Å; V158-F160 HydrophobicContact CG1-CE2 3.76Å; V158-F160 HydrophobicContact CG1-CZ 3.83Å; V158-F160 WeakPolarHBondContact O-CD2 3.42Å
159	N	84.3	Confident	86.6	Confident	40 Å²	40	61.4 Å²	61.4	21%	0.214	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	124.8	-179.2	-63.7	-46.2	0	0	0	110.4	N7 Q154	N7-N159 HydrophobicContact CB-CB 4.34Å; N7-N159 PolarHBondContact N-O 2.89Å; N7-N159 VanDerWaalsContact N-O 3.15Å; Q154-N159 WeakPolarHBondContact CG-OD1 3.44Å; Q154-N159 PolarHBondContact NE2-OD1 3.47Å
160	F	84.9	Confident	86.7	Confident	3 Å²	3	62.3 Å²	62.3	1%	0.013	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	133.8	174.9	-64.8	-89	0	0	0	109.6	L4 V6 K152 F153 V155 V158 F317 R321 I324	L4-F160 HydrophobicContact CD1-CB 4.34Å; L4-F160 HydrophobicContact CD1-CD1 4.07Å; L4-F160 HydrophobicContact CD2-CD1 4.06Å; L4-F160 HydrophobicContact CD2-CE1 4.38Å; L4-F160 HydrophobicContact CG-CD1 4.37Å; V6-F160 HydrophobicContact CG2-CD1 3.77Å; V6-F160 HydrophobicContact CG2-CE1 3.8Å; K152-F160 VanDerWaalsContact CA-O 3.31Å; K152-F160 WeakPolarHBondContact CA-O 3.28Å; F153-F160 HydrophobicContact CD1-CB 4.22Å; F153-F160 HydrophobicContact CD2-CB 4.01Å; F153-F160 HydrophobicContact CD2-CD2 4.22Å; F153-F160 HydrophobicContact CD2-CG 4.43Å; F153-F160 HydrophobicContact CE1-CB 3.82Å; F153-F160 HydrophobicContact CE2-CB 3.6Å; F153-F160 AromaticContact CE2-CD2 3.83Å; F153-F160 HydrophobicContact CE2-CD2 3.83Å; F153-F160 AromaticContact CE2-CG 3.8Å; F153-F160 HydrophobicContact CE2-CG 3.8Å; F153-F160 HydrophobicContact CG-CB 4.31Å; F153-F160 HydrophobicContact CZ-CB 3.49Å; F153-F160 VanDerWaalsContact CZ-CB 3.49Å; F153-F160 HydrophobicContact CZ-CD2 4.48Å; F153-F160 AromaticContact CZ-CG 3.99Å; F153-F160 HydrophobicContact CZ-CG 3.99Å; F153-F160 PolarHBondContact N-O 2.82Å; F153-F160 PolarHBondContact O-N 3.47Å; V155-F160 HydrophobicContact CB-CD2 4.42Å; V155-F160 HydrophobicContact CB-CE2 4.02Å; V155-F160 HydrophobicContact CG2-CD2 4.32Å; V155-F160 HydrophobicContact CG2-CE2 4.32Å; V158-F160 HydrophobicContact CB-CE2 3.91Å; V158-F160 HydrophobicContact CB-CZ 4.32Å; V158-F160 HydrophobicContact CG1-CD2 4.42Å; V158-F160 HydrophobicContact CG1-CE2 3.76Å; V158-F160 HydrophobicContact CG1-CZ 3.83Å; V158-F160 WeakPolarHBondContact O-CD2 3.42Å; F160-F317 AromaticContact CD1-CZ 3.96Å; F160-F317 HydrophobicContact CD1-CZ 3.96Å; F160-F317 HydrophobicContact CD2-CZ 4.3Å; F160-F317 AromaticContact CE1-CZ 3.94Å; F160-F317 HydrophobicContact CE1-CZ 3.94Å; F160-F317 HydrophobicContact CE2-CE1 4.37Å; F160-F317 HydrophobicContact CE2-CZ 4.31Å; F160-F317 HydrophobicContact CG-CZ 4.13Å; F160-F317 HydrophobicContact CZ-CE1 4.32Å; F160-F317 HydrophobicContact CZ-CZ 4.13Å; F160-R321 HydrophobicContact CZ-CG 4.27Å; F160-I324 HydrophobicContact CE1-CD1 4.48Å; F160-I324 HydrophobicContact CE1-CG2 4.46Å
161	H	89.1	Confident	86.8	Confident	21 Å²	21	57.7 Å²	57.7	10%	0.097	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	107.4	172	-175.8	-173.7	0	0	0	107.7	H5 E150 K152 F163	H5-H161 HydrophobicContact CB-CB 4.18Å; H5-H161 PolarHBondContact N-O 2.7Å; H5-H161 PolarHBondContact O-N 3.45Å; E150-H161 IonicContact OE2-CD2 3.38Å; E150-H161 IonicContact OE2-CE1 3.58Å; E150-H161 PolarHBondContact OE2-CE1 2.93Å; E150-H161 IonicContact OE2-NE2 2.92Å; E150-H161 PolarHBondContact OE2-NE2 2.95Å; K152-H161 WeakPolarHBondContact CE-CE1 3.44Å; K152-H161 WeakPolarHBondContact CE-ND1 3.42Å; K152-H161 WeakPolarHBondContact CE-NE2 3.38Å; K152-H161 HydrophobicContact CG-CB 4.12Å; H161-F163 AromaticContact CD2-CE2 3.91Å; H161-F163 AromaticContact CD2-CZ 3.92Å; H161-F163 AromaticContact CE1-CE1 3.87Å; H161-F163 AromaticContact CE1-CE2 3.86Å; H161-F163 AromaticContact CE1-CZ 3.22Å; H161-F163 WeakPolarHBondContact CE1-CZ 3.43Å; H161-F163 AromaticContact CG-CE2 3.97Å; H161-F163 AromaticContact ND1-CE2 3.99Å; H161-F163 AromaticContact ND1-CZ 3.75Å; H161-F163 AromaticContact NE2-CE1 3.71Å; H161-F163 AromaticContact NE2-CE2 3.84Å; H161-F163 AromaticContact NE2-CZ 3.36Å; H161-F163 WeakPolarHBondContact NE2-CZ 3.17Å
162	M	88.4	Confident	86.8	Confident	29 Å²	29	56.9 Å²	56.9	14%	0.143	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	133.8	-174.4	-172.6	171.8	63.8	0	0	109.8	R2 I3 L4 E150 T151 F153	R2-M162 HydrophobicContact CB-CG 4.43Å; I3-M162 WeakPolarHBondContact O-CA 3.35Å; L4-M162 HydrophobicContact CD1-CB 4Å; L4-M162 HydrophobicContact CD1-CG 4.32Å; E150-M162 CarbonylContact C-O 3.59Å; E150-M162 WeakPolarHBondContact CA-O 3.42Å; T151-M162 PolarHBondContact N-O 2.95Å; T151-M162 PolarHBondContact O-N 2.76Å; F153-M162 HydrophobicContact CE1-CB 4.2Å; F153-M162 HydrophobicContact CE1-CE 4.4Å
163	F	89.9	Confident	86.7	Confident	17 Å²	17	60.6 Å²	60.6	8%	0.075	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	120.2	174.3	-54.8	-104.4	0	0	0	108.7	R2 I3 H5 I148 F149 E150 H161	R2-F163 CarbonylContact C-O 3.59Å; R2-F163 WeakPolarHBondContact CA-O 3.48Å; I3-F163 HydrophobicContact CB-CB 4.2Å; I3-F163 PolarHBondContact N-O 3.05Å; I3-F163 PolarHBondContact O-N 2.83Å; H5-F163 HydrophobicContact CB-CE2 4.35Å; H5-F163 AromaticContact CD2-CD2 3.95Å; H5-F163 AromaticContact CD2-CE2 3.54Å; H5-F163 AromaticContact CE1-CE2 3.76Å; H5-F163 AromaticContact CG-CE2 3.72Å; H5-F163 AromaticContact ND1-CE2 3.86Å; H5-F163 AromaticContact NE2-CE2 3.58Å; I148-F163 HydrophobicContact CG2-CB 4.44Å; I148-F163 HydrophobicContact CG2-CD1 4.09Å; F149-F163 CarbonylContact O-C 3.56Å; F149-F163 VanDerWaalsContact O-CA 3.29Å; F149-F163 WeakPolarHBondContact O-CA 3.23Å; E150-F163 HydrophobicContact CG-CD1 3.51Å; E150-F163 HydrophobicContact CG-CE1 3.65Å; E150-F163 HydrophobicContact CG-CG 4.43Å; E150-F163 WeakPolarHBondContact OE1-CE1 3.33Å; H161-F163 AromaticContact CD2-CE2 3.91Å; H161-F163 AromaticContact CD2-CZ 3.92Å; H161-F163 AromaticContact CE1-CE1 3.87Å; H161-F163 AromaticContact CE1-CE2 3.86Å; H161-F163 AromaticContact CE1-CZ 3.22Å; H161-F163 WeakPolarHBondContact CE1-CZ 3.43Å; H161-F163 AromaticContact CG-CE2 3.97Å; H161-F163 AromaticContact ND1-CE2 3.99Å; H161-F163 AromaticContact ND1-CZ 3.75Å; H161-F163 AromaticContact NE2-CE1 3.71Å; H161-F163 AromaticContact NE2-CE2 3.84Å; H161-F163 AromaticContact NE2-CZ 3.36Å; H161-F163 WeakPolarHBondContact NE2-CZ 3.17Å
164	D	89.1	Confident	86.7	Confident	45 Å²	45	60.6 Å²	60.6	24%	0.241	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	118	168.8	-169.2	43.4	0	0	0	109	R2 T145 I148 F149	R2-D164 IonicContact NE-OD1 3.69Å; T145-D164 PolarHBondContact OG1-OD2 3.14Å; I148-D164 WeakPolarHBondContact CA-O 3.44Å; F149-D164 HydrophobicContact CB-CB 4.46Å; F149-D164 PolarHBondContact N-O 3.23Å; F149-D164 PolarHBondContact O-N 3.29Å
165	V	89.1	Confident	86.8	Confident	3 Å²	3	56 Å²	56	2%	0.018	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	135.3	-176.4	-59.2	0	0	0	0	110.6	M1 I3 I148 G167 W175	M1-V165 HydrophobicContact CB-CG2 4.02Å; M1-V165 HydrophobicContact CE-CG2 4.3Å; M1-V165 VanDerWaalsContact O-CG2 3.3Å; M1-V165 WeakPolarHBondContact O-CG2 3.46Å; M1-V165 PolarHBondContact O-N 3.06Å; I3-V165 HydrophobicContact CD1-CG1 4.07Å; I3-V165 HydrophobicContact CD1-CG2 4.32Å; I148-V165 HydrophobicContact CB-CG1 4.5Å; I148-V165 HydrophobicContact CG1-CG1 3.99Å; I148-V165 HydrophobicContact CG2-CG1 4.2Å; V165-G167 PolarHBondContact O-N 3.15Å; V165-W175 HydrophobicContact CG2-CD2 4.2Å; V165-W175 HydrophobicContact CG2-CG 4.08Å; V165-W175 HydrophobicContact CG2-CZ2 4.46Å
166	G	87.3	Confident	86.8	Confident	2 Å²	2	57.8 Å²	57.8	2%	0.021	27%	0.274	C	S	.	.			trans	-50.6	128.9	178	0	0	0	0	0	112.3	G147 E171 W175	G147-G166 PolarHBondContact O-N 3.23Å; G147-G166 VanDerWaalsContact O-N 3.12Å; G166-E171 WeakPolarHBondContact O-CB 3.28Å; G166-W175 PolarHBondContact O-NE1 3.26Å
167	G	86.2	Confident	86.8	Confident	39 Å²	39	58.6 Å²	58.6	40%	0.402	28%	0.275	S	S	.	.			trans	-84	-20.4	-174.7	0	0	0	0	0	115.5	V165 R172	V165-G167 PolarHBondContact O-N 3.15Å; G167-R172 PolarHBondContact O-NE 3.16Å
168	Q	87.9	Confident	86.9	Confident	73 Å²	73	51.6 Å²	51.6	34%	0.341	25%	0.245	S	C	.	.	S	Bend	trans	-66	150.7	-174.2	-63	177.7	5.2	0	0	111.1	D170 E171 R172 E200	Q168-D170 PolarHBondContact O-N 3.32Å; Q168-D170 VanDerWaalsContact O-N 3.1Å; Q168-E171 HydrophobicContact CB-CG 4.26Å; Q168-E171 WeakPolarHBondContact O-CB 3.48Å; Q168-E171 PolarHBondContact O-N 3.46Å; Q168-R172 WeakPolarHBondContact O-CG 3.37Å; Q168-R172 PolarHBondContact O-N 3.43Å; Q168-E200 WeakPolarHBondContact CA-OE1 3.39Å
169	R	91.9	Very high	87	Confident	83 Å²	83	52.5 Å²	52.5	31%	0.313	25%	0.249	S	C	.	.	G	3₁₀ helix	trans	-49.7	-41.7	-174.7	-75.2	-178.3	171	167.1	0.1	113.6	E171 R172 E200 D201 T204 E209	R169-E171 VanDerWaalsContact C-N 3.29Å; R169-E171 PolarHBondContact O-N 2.98Å; R169-R172 PolarHBondContact O-N 3.26Å; R169-E200 HydrophobicContact CB-CG 4.34Å; R169-E200 HydrophobicContact CG-CG 4.36Å; R169-E200 PolarHBondContact N-OE1 3.1Å; R169-D201 IonicContact CZ-OD2 2.71Å; R169-D201 IonicContact NH1-OD2 2.78Å; R169-D201 PolarHBondContact NH1-OD2 3.15Å; R169-D201 IonicContact NH2-OD2 3.98Å; R169-D201 PolarHBondContact NH2-OD2 2.96Å; R169-T204 PolarHBondContact NH2-OG1 2.81Å; R169-E209 IonicContact CZ-OE1 2.93Å; R169-E209 IonicContact CZ-OE2 2.79Å; R169-E209 IonicContact NE-OE1 3.33Å; R169-E209 PolarHBondContact NE-OE1 3.39Å; R169-E209 IonicContact NE-OE2 2.73Å; R169-E209 IonicContact NH2-OE1 3.47Å; R169-E209 IonicContact NH2-OE2 3.19Å; R169-E209 PolarHBondContact NH2-OE2 3.25Å
170	D	89.9	Confident	86.6	Confident	133 Å²	133	56.2 Å²	56.2	71%	0.711	27%	0.269	S	S	*	.	G	3₁₀ helix	trans	-72.8	-21.2	-177.9	-64.3	-21.1	0	0	0	113.6	Q168	Q168-D170 PolarHBondContact O-N 3.32Å; Q168-D170 VanDerWaalsContact O-N 3.1Å
171	E	90.9	Very high	86	Confident	18 Å²	18	62.5 Å²	62.5	8%	0.084	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-83.3	-23.4	178.2	-64.7	-61.3	119.8	0	0	112.5	G147 G166 Q168 R169 R173 K174	G147-E171 WeakPolarHBondContact CA-OE2 3.38Å; G147-E171 PolarHBondContact N-OE2 3.43Å; G166-E171 WeakPolarHBondContact O-CB 3.28Å; Q168-E171 HydrophobicContact CB-CG 4.26Å; Q168-E171 WeakPolarHBondContact O-CB 3.48Å; Q168-E171 PolarHBondContact O-N 3.46Å; R169-E171 VanDerWaalsContact C-N 3.29Å; R169-E171 PolarHBondContact O-N 2.98Å; E171-R173 PolarHBondContact O-N 2.99Å; E171-R173 VanDerWaalsContact O-N 3.13Å; E171-K174 WeakPolarHBondContact O-CB 3.45Å; E171-K174 PolarHBondContact O-N 3.3Å; E171-K174 IonicContact OE1-NZ 3.59Å; E171-K174 PolarHBondContact OE1-NZ 3.28Å; E171-K174 IonicContact OE2-NZ 3.01Å; E171-K174 PolarHBondContact OE2-NZ 3Å
172	R	90.1	Very high	85.7	Confident	59 Å²	59	61.7 Å²	61.7	22%	0.223	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-64.2	-25.1	-170.9	-57.1	-175.9	-169.6	159.2	4.3	114.1	G167 Q168 R169 K174 W175 E209	G167-R172 PolarHBondContact O-NE 3.16Å; Q168-R172 WeakPolarHBondContact O-CG 3.37Å; Q168-R172 PolarHBondContact O-N 3.43Å; R169-R172 PolarHBondContact O-N 3.26Å; R172-K174 PolarHBondContact O-N 3.48Å; R172-W175 HydrophobicContact CB-CD2 4.32Å; R172-W175 HydrophobicContact CB-CZ2 4.39Å; R172-W175 HydrophobicContact CG-CH2 4.1Å; R172-W175 HydrophobicContact CG-CZ2 3.75Å; R172-W175 WeakPolarHBondContact O-CB 3.47Å; R172-W175 PolarHBondContact O-N 3.11Å; R172-E209 IonicContact CZ-OE1 3.58Å; R172-E209 VanDerWaalsContact CZ-OE1 3.23Å; R172-E209 IonicContact NH1-OE1 3.88Å; R172-E209 PolarHBondContact NH1-OE1 3.16Å; R172-E209 IonicContact NH2-OE1 3.83Å; R172-E209 PolarHBondContact NH2-OE1 2.91Å
173	R	87.1	Confident	85.6	Confident	221 Å²	221	60.6 Å²	60.6	83%	0.834	29%	0.294	S	S	*	.	G	3₁₀ helix	trans	-64.5	-24.8	175.8	-65.4	-176.8	-175.8	178.3	3.4	112.3	E171 W175	E171-R173 PolarHBondContact O-N 2.99Å; E171-R173 VanDerWaalsContact O-N 3.13Å; R173-W175 VanDerWaalsContact C-N 3.34Å
174	K	87.4	Confident	85.6	Confident	65 Å²	65	59.8 Å²	59.8	28%	0.283	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-77.2	-20.2	179.9	-56	174.6	-169.4	165.8	0	112.3	I148 E171 R172 I176 Q177	I148-K174 HydrophobicContact CD1-CB 4.29Å; E171-K174 WeakPolarHBondContact O-CB 3.45Å; E171-K174 PolarHBondContact O-N 3.3Å; E171-K174 IonicContact OE1-NZ 3.59Å; E171-K174 PolarHBondContact OE1-NZ 3.28Å; E171-K174 IonicContact OE2-NZ 3.01Å; E171-K174 PolarHBondContact OE2-NZ 3Å; R172-K174 PolarHBondContact O-N 3.48Å; K174-I176 PolarHBondContact O-N 3.02Å; K174-I176 VanDerWaalsContact O-N 3.16Å; K174-Q177 VanDerWaalsContact O-CB 3.22Å; K174-Q177 WeakPolarHBondContact O-CB 3.36Å; K174-Q177 VanDerWaalsContact O-CG 3.29Å; K174-Q177 WeakPolarHBondContact O-CG 3.3Å; K174-Q177 PolarHBondContact O-N 3.48Å
175	W	87.8	Confident	85.7	Confident	9 Å²	9	57.7 Å²	57.7	3%	0.034	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-60.1	-31.9	-173	-64.8	3.3	0	0	0	114.1	M1 V165 G166 R172 R173 Q177 C178 F179 L213 I217	M1-W175 HydrophobicContact CB-CH2 4.05Å; M1-W175 HydrophobicContact CB-CZ2 4.18Å; M1-W175 HydrophobicContact CB-CZ3 4.46Å; M1-W175 HydrophobicContact CE-CD2 4.08Å; M1-W175 HydrophobicContact CE-CE3 3.71Å; M1-W175 HydrophobicContact CE-CZ3 4.08Å; M1-W175 HydrophobicContact SD-CE3 3.9Å; M1-W175 HydrophobicContact SD-CH2 4.14Å; M1-W175 HydrophobicContact SD-CZ3 3.62Å; V165-W175 HydrophobicContact CG2-CD2 4.2Å; V165-W175 HydrophobicContact CG2-CG 4.08Å; V165-W175 HydrophobicContact CG2-CZ2 4.46Å; G166-W175 PolarHBondContact O-NE1 3.26Å; R172-W175 HydrophobicContact CB-CD2 4.32Å; R172-W175 HydrophobicContact CB-CZ2 4.39Å; R172-W175 HydrophobicContact CG-CH2 4.1Å; R172-W175 HydrophobicContact CG-CZ2 3.75Å; R172-W175 WeakPolarHBondContact O-CB 3.47Å; R172-W175 PolarHBondContact O-N 3.11Å; R173-W175 VanDerWaalsContact C-N 3.34Å; W175-Q177 PolarHBondContact O-N 3.41Å; W175-Q177 VanDerWaalsContact O-N 3.11Å; W175-C178 PolarHBondContact O-N 3.02Å; W175-F179 HydrophobicContact CB-CE1 4.05Å; W175-F179 HydrophobicContact CB-CZ 3.86Å; W175-F179 HydrophobicContact CE3-CZ 4.49Å; W175-F179 VanDerWaalsContact O-CD1 3.22Å; W175-F179 WeakPolarHBondContact O-CD1 3.24Å; W175-F179 WeakPolarHBondContact O-CE1 3.41Å; W175-L213 HydrophobicContact CH2-CD1 3.87Å; W175-L213 HydrophobicContact CH2-CD2 3.68Å; W175-L213 HydrophobicContact CH2-CG 4.18Å; W175-L213 HydrophobicContact CZ3-CD1 3.76Å; W175-L213 HydrophobicContact CZ3-CD2 4.3Å; W175-L213 HydrophobicContact CZ3-CG 4.32Å; W175-I217 HydrophobicContact CE3-CD1 3.99Å; W175-I217 HydrophobicContact CZ3-CD1 3.9Å; W175-I217 HydrophobicContact CZ3-CG1 4.27Å
176	I	81.3	Confident	85.9	Confident	76 Å²	76	57.8 Å²	57.8	39%	0.39	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	-58.3	-25.5	177.5	-166.9	62.1	0	0	0	112.5	K174 C178 F179 W222	K174-I176 PolarHBondContact O-N 3.02Å; K174-I176 VanDerWaalsContact O-N 3.16Å; I176-C178 PolarHBondContact O-N 3.46Å; I176-F179 HydrophobicContact CD1-CB 4.41Å; I176-F179 HydrophobicContact CD1-CD2 3.81Å; I176-F179 HydrophobicContact CD1-CG 4.49Å; I176-F179 PolarHBondContact O-N 3.07Å; I176-W222 HydrophobicContact CD1-CD2 4.02Å; I176-W222 HydrophobicContact CD1-CE3 3.67Å; I176-W222 HydrophobicContact CD1-CZ3 3.96Å
177	Q	81.7	Confident	86.3	Confident	135 Å²	135	57.9 Å²	57.9	63%	0.631	28%	0.279	S	S	*	.	G	3₁₀ helix	trans	-67.6	-20.1	178.1	-58.6	174.2	8.4	0	0	112.3	I148 K174 W175	I148-Q177 HydrophobicContact CD1-CB 4.22Å; K174-Q177 VanDerWaalsContact O-CB 3.22Å; K174-Q177 WeakPolarHBondContact O-CB 3.36Å; K174-Q177 VanDerWaalsContact O-CG 3.29Å; K174-Q177 WeakPolarHBondContact O-CG 3.3Å; K174-Q177 PolarHBondContact O-N 3.48Å; W175-Q177 PolarHBondContact O-N 3.41Å; W175-Q177 VanDerWaalsContact O-N 3.11Å
178	C	82	Confident	86.8	Confident	8 Å²	8	58.6 Å²	58.6	5%	0.054	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-105.1	5.4	-178.7	-56.7	0	0	0	0	113	I3 I148 W175 I176 V182	I3-C178 HydrophobicContact CD1-CB 3.33Å; I148-C178 VanDerWaalsContact CD1-SG 3.54Å; W175-C178 PolarHBondContact O-N 3.02Å; I176-C178 PolarHBondContact O-N 3.46Å; C178-V182 VanDerWaalsContact O-CG2 3.23Å; C178-V182 WeakPolarHBondContact O-CG2 3.37Å
179	F	80.7	Confident	87.3	Confident	23 Å²	23	55.2 Å²	55.2	10%	0.101	26%	0.26	C	S	.	.			trans	-91.1	5.1	-172.2	-73	-1.8	0	0	0	114.8	M1 I3 W175 I176 I217 L223	M1-F179 HydrophobicContact CE-CE1 3.66Å; M1-F179 HydrophobicContact CE-CZ 3.97Å; I3-F179 HydrophobicContact CD1-CD1 3.87Å; I3-F179 HydrophobicContact CD1-CE1 3.63Å; I3-F179 HydrophobicContact CG1-CE1 4.37Å; W175-F179 HydrophobicContact CB-CE1 4.05Å; W175-F179 HydrophobicContact CB-CZ 3.86Å; W175-F179 HydrophobicContact CE3-CZ 4.49Å; W175-F179 VanDerWaalsContact O-CD1 3.22Å; W175-F179 WeakPolarHBondContact O-CD1 3.24Å; W175-F179 WeakPolarHBondContact O-CE1 3.41Å; I176-F179 HydrophobicContact CD1-CB 4.41Å; I176-F179 HydrophobicContact CD1-CD2 3.81Å; I176-F179 HydrophobicContact CD1-CG 4.49Å; I176-F179 PolarHBondContact O-N 3.07Å; F179-I217 HydrophobicContact CZ-CD1 4.19Å; F179-L223 HydrophobicContact CD1-CD2 4.47Å; F179-L223 HydrophobicContact CD2-CD1 4.34Å; F179-L223 HydrophobicContact CD2-CD2 4.12Å; F179-L223 HydrophobicContact CD2-CG 4.37Å; F179-L223 HydrophobicContact CE2-CD1 3.87Å; F179-L223 HydrophobicContact CE2-CD2 4.45Å; F179-L223 HydrophobicContact CE2-CG 4.38Å; F179-L223 HydrophobicContact CG-CD2 4.14Å; F179-L223 HydrophobicContact CZ-CD1 4.02Å
180	N	75.2	Confident	87.6	Confident	119 Å²	119	52.8 Å²	52.8	64%	0.636	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.8	128.8	176.4	-67.7	-25	0	0	0	110.4	H5 V182	H5-N180 PolarHBondContact CE1-O 2.66Å; N180-V182 PolarHBondContact O-N 3.44Å
181	D	73.5	Confident	88	Confident	135 Å²	135	46.5 Å²	46.5	72%	0.722	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	55	32.1	174.9	-55.7	-37.4	0	0	0	115.3	T183	D181-T183 PolarHBondContact O-N 3.49Å
182	V	83.2	Confident	88.3	Confident	3 Å²	3	45.8 Å²	45.8	2%	0.018	22%	0.221	C	C	.	.			trans	-64.6	129.5	175.3	-179.9	0	0	0	0	110	I3 C178 N180 A184 I185 I226	I3-V182 HydrophobicContact CG2-CB 4.24Å; I3-V182 HydrophobicContact CG2-CG1 3.69Å; I3-V182 HydrophobicContact CG2-CG2 3.51Å; C178-V182 VanDerWaalsContact O-CG2 3.23Å; C178-V182 WeakPolarHBondContact O-CG2 3.37Å; N180-V182 PolarHBondContact O-N 3.44Å; V182-A184 VanDerWaalsContact CG1-O 3.28Å; V182-A184 WeakPolarHBondContact CG1-O 3.46Å; V182-I185 HydrophobicContact CG1-CG1 4.24Å; V182-I226 HydrophobicContact CB-CG2 4.43Å; V182-I226 HydrophobicContact CG1-CG2 3.89Å; V182-I226 VanDerWaalsContact O-CD1 3.29Å; V182-I226 WeakPolarHBondContact O-CD1 3.37Å
183	T	85.6	Confident	88.7	Confident	7 Å²	7	43 Å²	43	4%	0.043	21%	0.211	C	C	.	.	S	Bend	trans	-79.9	-47.8	172.4	-51.3	0	0	0	0	110.7	L4 V6 D181 I324 M327 H328	L4-T183 PolarHBondContact O-N 3.01Å; V6-T183 HydrophobicContact CB-CG2 4.21Å; V6-T183 HydrophobicContact CG2-CG2 4.24Å; V6-T183 PolarHBondContact N-OG1 3.46Å; D181-T183 PolarHBondContact O-N 3.49Å; T183-I324 HydrophobicContact CG2-CG2 3.95Å; T183-M327 WeakPolarHBondContact O-CE 3.42Å; T183-H328 HydrophobicContact CG2-CB 4.2Å
184	A	88.7	Confident	89.2	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	156.2	178.7	0	0	0	0	0	111.7	L4 V182 I229 I324 M327	L4-A184 PolarHBondContact N-O 3.43Å; L4-A184 PolarHBondContact O-N 3.09Å; L4-A184 VanDerWaalsContact O-N 3.15Å; V182-A184 VanDerWaalsContact CG1-O 3.28Å; V182-A184 WeakPolarHBondContact CG1-O 3.46Å; A184-I229 HydrophobicContact CB-CD1 4.33Å; A184-I324 HydrophobicContact CB-CG1 4.43Å; A184-M327 HydrophobicContact CB-CE 3.9Å; A184-M327 HydrophobicContact CB-SD 4.43Å
185	I	91.9	Very high	89.7	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	133.4	170.3	-62.9	173.8	0	0	0	108.6	M1 V182 I217 L223 I226 S227 V228 I229	M1-I185 HydrophobicContact CE-CG2 4.43Å; M1-I185 HydrophobicContact CG-CG2 3.98Å; M1-I185 HydrophobicContact SD-CG2 3.88Å; V182-I185 HydrophobicContact CG1-CG1 4.24Å; I185-I217 HydrophobicContact CD1-CG2 3.84Å; I185-L223 HydrophobicContact CD1-CD1 3.52Å; I185-L223 HydrophobicContact CD1-CD2 3.98Å; I185-L223 HydrophobicContact CD1-CG 4.21Å; I185-I226 HydrophobicContact CD1-CG2 4.23Å; I185-I226 HydrophobicContact CG1-CG2 3.92Å; I185-S227 PolarHBondContact N-O 3.36Å; I185-S227 VanDerWaalsContact N-O 3.15Å; I185-V228 HydrophobicContact CB-CG1 4.42Å; I185-V228 HydrophobicContact CB-CG2 4.33Å; I185-V228 HydrophobicContact CG2-CG1 4.33Å; I185-V228 CarbonylContact O-C 3.56Å; I185-V228 WeakPolarHBondContact O-CA 3.43Å; I185-I229 PolarHBondContact O-N 2.84Å
186	I	94.1	Very high	90.2	Very high	5 Å²	5	29.9 Å²	29.9	3%	0.026	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	102.5	166.5	-57.8	173	0	0	0	107.7	R2 V188 I229 F231	R2-I186 HydrophobicContact CB-CB 4.1Å; R2-I186 PolarHBondContact N-O 3.41Å; R2-I186 CarbonylContact O-C 3.51Å; R2-I186 PolarHBondContact O-N 3.16Å; R2-I186 VanDerWaalsContact O-O 3.07Å; I186-V188 HydrophobicContact CG2-CG2 4.13Å; I186-I229 CarbonylContact C-O 3.48Å; I186-I229 WeakPolarHBondContact CA-O 3.42Å; I186-I229 HydrophobicContact CG1-CB 4.26Å; I186-I229 HydrophobicContact CG1-CD1 4.38Å; I186-F231 HydrophobicContact CG2-CD1 4.25Å; I186-F231 HydrophobicContact CG2-CD2 3.63Å; I186-F231 HydrophobicContact CG2-CE1 4.3Å; I186-F231 HydrophobicContact CG2-CE2 3.68Å; I186-F231 HydrophobicContact CG2-CG 3.93Å; I186-F231 HydrophobicContact CG2-CZ 4.02Å
187	F	96	Very high	91	Very high	4 Å²	4	28 Å²	28	2%	0.018	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	117	178	-164.9	-87.7	0	0	0	109.7	M1 V189 L213 F214 I217 V228 I229 L230 F231 F286	M1-F187 HydrophobicContact CG-CD2 4.41Å; M1-F187 HydrophobicContact SD-CD2 4.28Å; F187-V189 HydrophobicContact CD1-CG2 3.77Å; F187-V189 HydrophobicContact CE1-CG2 3.76Å; F187-L213 HydrophobicContact CE2-CD2 4.02Å; F187-L213 HydrophobicContact CE2-CG 3.89Å; F187-L213 HydrophobicContact CZ-CB 4.17Å; F187-L213 HydrophobicContact CZ-CD2 3.93Å; F187-L213 HydrophobicContact CZ-CG 3.93Å; F187-F214 HydrophobicContact CB-CD2 4.32Å; F187-F214 HydrophobicContact CD1-CB 4.4Å; F187-F214 AromaticContact CD1-CD2 3.77Å; F187-F214 HydrophobicContact CD1-CD2 3.77Å; F187-F214 HydrophobicContact CD2-CD2 4.21Å; F187-F214 HydrophobicContact CE1-CB 3.84Å; F187-F214 HydrophobicContact CE1-CD2 4.09Å; F187-F214 HydrophobicContact CE1-CG 4.45Å; F187-F214 HydrophobicContact CE2-CB 4.29Å; F187-F214 AromaticContact CG-CD2 3.83Å; F187-F214 HydrophobicContact CG-CD2 3.83Å; F187-F214 HydrophobicContact CZ-CB 3.78Å; F187-F214 HydrophobicContact CZ-CD2 4.45Å; F187-I217 HydrophobicContact CE2-CG1 4.35Å; F187-V228 HydrophobicContact CB-CG1 3.62Å; F187-I229 PolarHBondContact N-O 3.07Å; F187-L230 HydrophobicContact CB-CD1 4.29Å; F187-L230 HydrophobicContact CD1-CD1 3.76Å; F187-L230 HydrophobicContact CG-CD1 4.47Å; F187-L230 CarbonylContact O-C 3.59Å; F187-F231 PolarHBondContact O-N 3.3Å; F187-F286 HydrophobicContact CE1-CE1 4.13Å
188	V	96.4	Very high	91.7	Very high	54 Å²	54	22.1 Å²	22.1	33%	0.327	13%	0.126	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	127.3	-175.5	-171.7	0	0	0	0	110	I186 F231 N233	I186-V188 HydrophobicContact CG2-CG2 4.13Å; V188-F231 HydrophobicContact CB-CB 4.49Å; V188-F231 HydrophobicContact CG1-CB 4.36Å; V188-F231 HydrophobicContact CG2-CB 4.24Å; V188-F231 HydrophobicContact CG2-CD2 4.32Å; V188-N233 HydrophobicContact CG1-CB 3.73Å
189	V	97.9	Very high	92.2	Very high	2 Å²	2	25.3 Å²	25.3	1%	0.012	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	132.8	-179.9	-179	0	0	0	0	109.2	F187 S191 L207 A210 L230 F231 L232 N233 F286	F187-V189 HydrophobicContact CD1-CG2 3.77Å; F187-V189 HydrophobicContact CE1-CG2 3.76Å; V189-S191 PolarHBondContact O-N 3.49Å; V189-L207 HydrophobicContact CG1-CD1 3.79Å; V189-A210 HydrophobicContact CG1-CB 4.28Å; V189-L230 HydrophobicContact CG2-CD1 3.66Å; V189-F231 PolarHBondContact N-O 2.83Å; V189-L232 HydrophobicContact CB-CD2 4.3Å; V189-L232 HydrophobicContact CG2-CD2 4.41Å; V189-N233 VanDerWaalsContact O-CA 3.32Å; V189-N233 WeakPolarHBondContact O-CA 3.25Å; V189-N233 VanDerWaalsContact O-CB 3.22Å; V189-N233 WeakPolarHBondContact O-CB 3.06Å; V189-N233 PolarHBondContact O-N 2.8Å; V189-F286 HydrophobicContact CB-CE2 4.44Å; V189-F286 HydrophobicContact CB-CZ 4.19Å; V189-F286 HydrophobicContact CG1-CE2 3.82Å; V189-F286 HydrophobicContact CG1-CZ 3.66Å; V189-F286 HydrophobicContact CG2-CD1 4.44Å; V189-F286 HydrophobicContact CG2-CE1 3.68Å; V189-F286 HydrophobicContact CG2-CE2 3.91Å; V189-F286 HydrophobicContact CG2-CZ 3.4Å
190	A	97.4	Very high	92.8	Very high	33 Å²	33	28.1 Å²	28.1	27%	0.273	15%	0.15	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	85.3	167.9	0	0	0	0	0	109.6	S192 S193 K234	A190-S192 PolarHBondContact O-N 3.03Å; A190-S193 WeakPolarHBondContact O-CB 3.35Å; A190-S193 PolarHBondContact O-N 2.86Å; A190-S193 VanDerWaalsContact O-N 3.08Å; A190-K234 HydrophobicContact CB-CD 3.84Å
191	S	98.5	Very high	93.7	Very high	1 Å²	1	25 Å²	25	1%	0.007	13%	0.133	C	C	.	.	G	3₁₀ helix	trans	-61.7	-31.1	-173.2	-60.1	0	0	0	0	113.1	V189 S193 N233 I282	V189-S191 PolarHBondContact O-N 3.49Å; S191-S193 PolarHBondContact O-N 3.13Å; S191-N233 WeakPolarHBondContact CB-O 3.25Å; S191-N233 PolarHBondContact N-O 3.24Å; S191-N233 PolarHBondContact OG-O 2.88Å; S191-I282 WeakPolarHBondContact O-CD1 3.39Å
192	S	98.2	Very high	94.7	Very high	2 Å²	2	22.9 Å²	22.9	1%	0.014	12%	0.122	C	C	.	.	G	3₁₀ helix	trans	-72	-7.6	177.6	66.9	0	0	0	0	114.9	A190 Y194 K234 K241	A190-S192 PolarHBondContact O-N 3.03Å; S192-Y194 VanDerWaalsContact C-N 3.33Å; S192-Y194 PolarHBondContact O-N 2.97Å; S192-K234 WeakPolarHBondContact OG-CB 3.42Å; S192-K234 WeakPolarHBondContact OG-CD 3.43Å; S192-K241 PolarHBondContact O-NZ 3.31Å
193	S	97.9	Very high	95.3	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.007	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-91.4	17.8	-176.2	-64.8	0	0	0	0	114.2	A190 S191 N195 M196	A190-S193 WeakPolarHBondContact O-CB 3.35Å; A190-S193 PolarHBondContact O-N 2.86Å; A190-S193 VanDerWaalsContact O-N 3.08Å; S191-S193 PolarHBondContact O-N 3.13Å; S193-N195 PolarHBondContact O-N 3.09Å; S193-N195 VanDerWaalsContact O-N 3.15Å; S193-M196 PolarHBondContact O-N 2.86Å; S193-M196 VanDerWaalsContact O-N 3.13Å
194	Y	98.5	Very high	95.9	Very high	1 Å²	1	31.6 Å²	31.6	0%	0.004	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-22.6	-178.8	66.3	-97.9	0	0	0	114.3	S192 N205 L238 K241 S247 I249 Y252	S192-Y194 VanDerWaalsContact C-N 3.33Å; S192-Y194 PolarHBondContact O-N 2.97Å; Y194-N205 PolarHBondContact O-ND2 3.47Å; Y194-L238 HydrophobicContact CD1-CD1 3.97Å; Y194-L238 HydrophobicContact CE1-CD1 3.81Å; Y194-K241 HydrophobicContact CE1-CD 3.68Å; Y194-K241 HydrophobicContact CE1-CG 4.25Å; Y194-K241 HydrophobicContact CE2-CD 4.48Å; Y194-K241 WeakPolarHBondContact OH-CD 3.35Å; Y194-K241 VanDerWaalsContact OH-CG 3.32Å; Y194-K241 WeakPolarHBondContact OH-CG 3.43Å; Y194-S247 WeakPolarHBondContact CE2-O 3.43Å; Y194-S247 PolarHBondContact OH-O 3.33Å; Y194-I249 HydrophobicContact CD1-CG1 4.16Å; Y194-I249 HydrophobicContact CD2-CB 4.45Å; Y194-I249 HydrophobicContact CD2-CG1 3.85Å; Y194-I249 HydrophobicContact CE1-CD1 4.44Å; Y194-I249 HydrophobicContact CE1-CG1 3.99Å; Y194-I249 HydrophobicContact CE2-CB 4.43Å; Y194-I249 HydrophobicContact CE2-CG1 3.66Å; Y194-I249 HydrophobicContact CG-CG1 4.09Å; Y194-Y252 HydrophobicContact CD2-CD2 4.11Å; Y194-Y252 HydrophobicContact CE2-CD2 4.4Å
195	N	98.3	Very high	96.3	Very high	8 Å²	8	33 Å²	33	4%	0.043	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.8	11	179.8	72.2	-27.8	0	0	0	113.9	N108 S193 K241 S247 Y252	N108-N195 WeakPolarHBondContact CB-ND2 3.3Å; S193-N195 PolarHBondContact O-N 3.09Å; S193-N195 VanDerWaalsContact O-N 3.15Å; N195-K241 PolarHBondContact OD1-NZ 3.46Å; N195-S247 VanDerWaalsContact ND2-CB 3.35Å; N195-S247 WeakPolarHBondContact ND2-CB 3.45Å; N195-S247 PolarHBondContact ND2-OG 3.5Å; N195-Y252 HydrophobicContact CB-CD2 4.02Å; N195-Y252 HydrophobicContact CB-CE1 3.97Å; N195-Y252 HydrophobicContact CB-CE2 3.43Å; N195-Y252 VanDerWaalsContact CB-CE2 3.43Å; N195-Y252 VanDerWaalsContact CB-CZ 3.4Å
196	M	97.7	Very high	96.6	Very high	10 Å²	10	34.9 Å²	34.9	5%	0.049	18%	0.179	C	C	.	.			trans	-116.9	158	-173.1	-58.3	179.9	79.1	0	0	111.8	N108 S193 N205 R206	N108-M196 HydrophobicContact CB-CG 4.28Å; S193-M196 PolarHBondContact O-N 2.86Å; S193-M196 VanDerWaalsContact O-N 3.13Å; M196-N205 CarbonylContact O-C 3.29Å; M196-N205 WeakPolarHBondContact O-CA 3.42Å; M196-R206 HydrophobicContact CB-CG 4.05Å; M196-R206 PolarHBondContact O-N 3.38Å
197	V	97.8	Very high	96.8	Very high	37 Å²	37	34.7 Å²	34.7	22%	0.224	18%	0.178	C	C	.	.	B	Isolated β-bridge	trans	-105.6	153.6	171.6	-61.7	0	0	0	0	111.9	Q111 N202 Q203 T204 R206	Q111-V197 PolarHBondContact NE2-O 3.38Å; V197-N202 WeakPolarHBondContact CG2-OD1 3.37Å; V197-Q203 WeakPolarHBondContact CG1-O 3.4Å; V197-T204 CarbonylContact C-O 3.11Å; V197-T204 VanDerWaalsContact CA-O 3.23Å; V197-T204 WeakPolarHBondContact CA-O 3.34Å; V197-R206 VanDerWaalsContact C-CG 3.44Å; V197-R206 WeakPolarHBondContact O-CG 3.35Å; V197-R206 PolarHBondContact O-NE 3.44Å
198	I	95.7	Very high	97	Very high	12 Å²	12	38.1 Å²	38.1	6%	0.062	19%	0.194	C	C	.	.			trans	-69.3	155.4	178.5	65.4	174.3	0	0	0	111.3	Q111 E200 D201 N202 T204 R206 E209	Q111-I198 PolarHBondContact NE2-O 3.24Å; I198-E200 VanDerWaalsContact C-N 3.32Å; I198-E200 HydrophobicContact CD1-CB 4.2Å; I198-E200 PolarHBondContact O-N 3.41Å; I198-D201 WeakPolarHBondContact CG1-OD1 3.43Å; I198-N202 VanDerWaalsContact O-CA 3.31Å; I198-N202 WeakPolarHBondContact O-CA 3.1Å; I198-N202 PolarHBondContact O-N 2.8Å; I198-T204 HydrophobicContact CD1-CG2 4.5Å; I198-T204 PolarHBondContact N-O 2.95Å; I198-R206 HydrophobicContact CG2-CB 4.33Å; I198-R206 HydrophobicContact CG2-CG 3.83Å; I198-E209 HydrophobicContact CG2-CB 3.94Å; I198-E209 HydrophobicContact CG2-CG 4.09Å
199	R	93.4	Very high	97	Very high	75 Å²	75	36.4 Å²	36.4	28%	0.283	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-32.6	-178.8	-76.1	-177.1	170	-177.3	-11	111.9	E42 Q111 I113 R142 D201	E42-R199 IonicContact OE1-CZ 3.23Å; E42-R199 IonicContact OE1-NH2 3.46Å; E42-R199 PolarHBondContact OE1-NH2 3.34Å; E42-R199 VanDerWaalsContact OE1-NH2 3.1Å; Q111-R199 HydrophobicContact CB-CG 4.22Å; Q111-R199 HydrophobicContact CG-CG 4Å; I113-R199 VanDerWaalsContact CG2-NH2 3.34Å; R142-R199 VanDerWaalsContact NH2-CZ 3.35Å; R142-R199 VanDerWaalsContact NH2-NH1 3.12Å; R199-D201 PolarHBondContact O-N 2.92Å
200	E	92.2	Very high	97	Very high	81 Å²	81	37 Å²	37	38%	0.379	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-31.9	-170.1	-64.9	96.5	132.3	0	0	114.4	Q168 R169 I198	Q168-E200 WeakPolarHBondContact CA-OE1 3.39Å; R169-E200 HydrophobicContact CB-CG 4.34Å; R169-E200 HydrophobicContact CG-CG 4.36Å; R169-E200 PolarHBondContact N-OE1 3.1Å; I198-E200 VanDerWaalsContact C-N 3.32Å; I198-E200 HydrophobicContact CD1-CB 4.2Å; I198-E200 PolarHBondContact O-N 3.41Å
201	D	95.1	Very high	97.1	Very high	54 Å²	54	35.8 Å²	35.8	29%	0.289	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-130.7	-5.9	178.8	62.9	25.6	0	0	0	114.3	R169 I198 R199 Q203 T204	R169-D201 IonicContact CZ-OD2 2.71Å; R169-D201 IonicContact NH1-OD2 2.78Å; R169-D201 PolarHBondContact NH1-OD2 3.15Å; R169-D201 IonicContact NH2-OD2 3.98Å; R169-D201 PolarHBondContact NH2-OD2 2.96Å; I198-D201 WeakPolarHBondContact CG1-OD1 3.43Å; R199-D201 PolarHBondContact O-N 2.92Å; D201-Q203 PolarHBondContact O-N 2.77Å; D201-Q203 PolarHBondContact OD1-N 3.18Å; D201-T204 PolarHBondContact OD1-N 3.07Å; D201-T204 PolarHBondContact OD1-OG1 3.15Å; D201-T204 WeakPolarHBondContact OD2-CB 3.25Å; D201-T204 PolarHBondContact OD2-OG1 3.13Å
202	N	94.6	Very high	97.1	Very high	90 Å²	90	39.5 Å²	39.5	48%	0.481	20%	0.197	S	C	.	.	S	Bend	trans	50.2	28.8	-176.5	-152.4	51.3	0	0	0	114	Q111 V197 I198	Q111-N202 PolarHBondContact NE2-OD1 2.77Å; V197-N202 WeakPolarHBondContact CG2-OD1 3.37Å; I198-N202 VanDerWaalsContact O-CA 3.31Å; I198-N202 WeakPolarHBondContact O-CA 3.1Å; I198-N202 PolarHBondContact O-N 2.8Å
203	Q	95.7	Very high	97	Very high	158 Å²	158	40.9 Å²	40.9	74%	0.738	20%	0.203	S	C	*	.			trans	-138.4	-44.1	-174.5	-172.9	-179.9	21.8	0	0	112.4	V197 D201 N205	V197-Q203 WeakPolarHBondContact CG1-O 3.4Å; D201-Q203 PolarHBondContact O-N 2.77Å; D201-Q203 PolarHBondContact OD1-N 3.18Å; Q203-N205 PolarHBondContact O-N 2.83Å
204	T	97.6	Very high	96.9	Very high	35 Å²	35	40.8 Å²	40.8	22%	0.215	20%	0.203	C	C	.	.	S	Bend	trans	-74.7	126.8	-176.7	-57.3	0	0	0	0	110.1	R169 V197 I198 D201 R206 E209	R169-T204 PolarHBondContact NH2-OG1 2.81Å; V197-T204 CarbonylContact C-O 3.11Å; V197-T204 VanDerWaalsContact CA-O 3.23Å; V197-T204 WeakPolarHBondContact CA-O 3.34Å; I198-T204 HydrophobicContact CD1-CG2 4.5Å; I198-T204 PolarHBondContact N-O 2.95Å; D201-T204 PolarHBondContact OD1-N 3.07Å; D201-T204 PolarHBondContact OD1-OG1 3.15Å; D201-T204 WeakPolarHBondContact OD2-CB 3.25Å; D201-T204 PolarHBondContact OD2-OG1 3.13Å; T204-R206 PolarHBondContact O-N 2.96Å; T204-E209 HydrophobicContact CG2-CB 4.15Å
205	N	98.4	Very high	96.8	Very high	29 Å²	29	46.5 Å²	46.5	16%	0.155	23%	0.228	C	C	.	.	B	Isolated β-bridge	trans	-58.4	134.3	175.5	-179.8	-80.6	0	0	0	111.5	Y194 M196 Q203 L207 Q208 E209	Y194-N205 PolarHBondContact O-ND2 3.47Å; M196-N205 CarbonylContact O-C 3.29Å; M196-N205 WeakPolarHBondContact O-CA 3.42Å; Q203-N205 PolarHBondContact O-N 2.83Å; N205-L207 PolarHBondContact O-N 2.95Å; N205-L207 WeakPolarHBondContact OD1-CA 3.29Å; N205-L207 WeakPolarHBondContact OD1-CB 3.42Å; N205-L207 PolarHBondContact OD1-N 3.2Å; N205-Q208 HydrophobicContact CB-CB 3.91Å; N205-Q208 PolarHBondContact O-N 2.87Å; N205-Q208 PolarHBondContact OD1-N 3.1Å; N205-E209 PolarHBondContact O-N 3.18Å
206	R	98.1	Very high	96.6	Very high	40 Å²	40	49.7 Å²	49.7	15%	0.151	25%	0.251	C	S	.	.	H	α-helix	trans	-63.7	-39.9	-175.5	-66.9	-166.3	179.1	178.8	2.5	113.3	M196 V197 I198 T204 A210	M196-R206 HydrophobicContact CB-CG 4.05Å; M196-R206 PolarHBondContact O-N 3.38Å; V197-R206 VanDerWaalsContact C-CG 3.44Å; V197-R206 WeakPolarHBondContact O-CG 3.35Å; V197-R206 PolarHBondContact O-NE 3.44Å; I198-R206 HydrophobicContact CG2-CB 4.33Å; I198-R206 HydrophobicContact CG2-CG 3.83Å; T204-R206 PolarHBondContact O-N 2.96Å; R206-A210 PolarHBondContact O-N 3.4Å; R206-A210 VanDerWaalsContact O-N 3.08Å
207	L	98.4	Very high	96.4	Very high	2 Å²	2	49.5 Å²	49.5	1%	0.01	25%	0.25	C	C	.	.	H	α-helix	trans	-71.9	-38.2	178.6	-177.8	60.3	0	0	0	110.9	V189 N205 A210 L211 F253 I282 F286	V189-L207 HydrophobicContact CG1-CD1 3.79Å; N205-L207 PolarHBondContact O-N 2.95Å; N205-L207 WeakPolarHBondContact OD1-CA 3.29Å; N205-L207 WeakPolarHBondContact OD1-CB 3.42Å; N205-L207 PolarHBondContact OD1-N 3.2Å; L207-A210 WeakPolarHBondContact O-CB 3.32Å; L207-A210 PolarHBondContact O-N 3.24Å; L207-L211 WeakPolarHBondContact O-CG 3.22Å; L207-L211 PolarHBondContact O-N 2.62Å; L207-F253 HydrophobicContact CB-CE2 4.11Å; L207-F253 HydrophobicContact CB-CZ 3.82Å; L207-F253 HydrophobicContact CD2-CD2 4.45Å; L207-F253 HydrophobicContact CD2-CE1 4.46Å; L207-F253 HydrophobicContact CD2-CE2 3.79Å; L207-F253 HydrophobicContact CD2-CZ 3.8Å; L207-F253 HydrophobicContact CG-CE2 4.29Å; L207-F253 HydrophobicContact CG-CZ 3.88Å; L207-I282 HydrophobicContact CD1-CG2 4.03Å; L207-I282 HydrophobicContact CD2-CD1 4.35Å; L207-I282 HydrophobicContact CD2-CG1 4.11Å; L207-I282 HydrophobicContact CD2-CG2 4.28Å; L207-F286 HydrophobicContact CD1-CE2 3.93Å; L207-F286 HydrophobicContact CD1-CZ 4.12Å
208	Q	98.4	Very high	96.2	Very high	75 Å²	75	48.1 Å²	48.1	35%	0.35	24%	0.241	S	C	.	.	H	α-helix	trans	-62.9	-42.3	173.2	-172.9	60	59.6	0	0	112.3	N205 A210 L211 N212	N205-Q208 HydrophobicContact CB-CB 3.91Å; N205-Q208 PolarHBondContact O-N 2.87Å; N205-Q208 PolarHBondContact OD1-N 3.1Å; Q208-A210 VanDerWaalsContact C-N 3.29Å; Q208-A210 PolarHBondContact O-N 3.46Å; Q208-L211 PolarHBondContact O-N 3.37Å; Q208-N212 PolarHBondContact NE2-OD1 3.39Å; Q208-N212 WeakPolarHBondContact O-CB 3.43Å; Q208-N212 PolarHBondContact O-N 3.15Å; Q208-N212 PolarHBondContact O-ND2 3.08Å
209	E	97.8	Very high	96	Very high	18 Å²	18	51.2 Å²	51.2	8%	0.084	26%	0.257	C	S	.	.	H	α-helix	trans	-59.4	-41.6	173.5	-179.5	74	177.5	0	0	110.9	R169 R172 I198 T204 N205 N212 L213	R169-E209 IonicContact CZ-OE1 2.93Å; R169-E209 IonicContact CZ-OE2 2.79Å; R169-E209 IonicContact NE-OE1 3.33Å; R169-E209 PolarHBondContact NE-OE1 3.39Å; R169-E209 IonicContact NE-OE2 2.73Å; R169-E209 IonicContact NH2-OE1 3.47Å; R169-E209 IonicContact NH2-OE2 3.19Å; R169-E209 PolarHBondContact NH2-OE2 3.25Å; R172-E209 IonicContact CZ-OE1 3.58Å; R172-E209 VanDerWaalsContact CZ-OE1 3.23Å; R172-E209 IonicContact NH1-OE1 3.88Å; R172-E209 PolarHBondContact NH1-OE1 3.16Å; R172-E209 IonicContact NH2-OE1 3.83Å; R172-E209 PolarHBondContact NH2-OE1 2.91Å; I198-E209 HydrophobicContact CG2-CB 3.94Å; I198-E209 HydrophobicContact CG2-CG 4.09Å; T204-E209 HydrophobicContact CG2-CB 4.15Å; N205-E209 PolarHBondContact O-N 3.18Å; E209-N212 PolarHBondContact O-N 2.57Å; E209-L213 VanDerWaalsContact O-CB 3.24Å; E209-L213 WeakPolarHBondContact O-CB 3.01Å; E209-L213 PolarHBondContact O-N 3.33Å
210	A	98.2	Very high	95.8	Very high	16 Å²	16	49 Å²	49	13%	0.132	25%	0.251	C	S	.	.	H	α-helix	trans	-63.5	-41.7	176.2	0	0	0	0	0	112.4	V189 R206 L207 Q208 L213 F214 F286	V189-A210 HydrophobicContact CG1-CB 4.28Å; R206-A210 PolarHBondContact O-N 3.4Å; R206-A210 VanDerWaalsContact O-N 3.08Å; L207-A210 WeakPolarHBondContact O-CB 3.32Å; L207-A210 PolarHBondContact O-N 3.24Å; Q208-A210 VanDerWaalsContact C-N 3.29Å; Q208-A210 PolarHBondContact O-N 3.46Å; A210-L213 PolarHBondContact O-N 3.18Å; A210-F214 VanDerWaalsContact O-CB 3.29Å; A210-F214 WeakPolarHBondContact O-CB 3.06Å; A210-F214 PolarHBondContact O-N 3.04Å; A210-F286 HydrophobicContact CB-CZ 4.06Å
211	L	98.5	Very high	95.7	Very high	7 Å²	7	53.9 Å²	53.9	4%	0.037	27%	0.266	C	S	.	.	H	α-helix	trans	-62.7	-45.2	174.5	-72.4	166.8	0	0	0	111.7	L207 Q208 L213 F214 K215 F253 E285 F286 I289	L207-L211 WeakPolarHBondContact O-CG 3.22Å; L207-L211 PolarHBondContact O-N 2.62Å; Q208-L211 PolarHBondContact O-N 3.37Å; L211-L213 VanDerWaalsContact C-N 3.35Å; L211-L213 PolarHBondContact O-N 3.09Å; L211-F214 PolarHBondContact O-N 3.26Å; L211-K215 WeakPolarHBondContact O-CB 3.4Å; L211-K215 PolarHBondContact O-N 3.13Å; L211-F253 HydrophobicContact CD1-CE1 4.23Å; L211-E285 HydrophobicContact CD1-CB 4.19Å; L211-E285 HydrophobicContact CD2-CB 3.7Å; L211-F286 HydrophobicContact CD2-CD1 3.84Å; L211-F286 HydrophobicContact CD2-CD2 3.81Å; L211-F286 HydrophobicContact CD2-CE1 3.78Å; L211-F286 HydrophobicContact CD2-CE2 3.73Å; L211-F286 HydrophobicContact CD2-CG 3.83Å; L211-F286 HydrophobicContact CD2-CZ 3.69Å; L211-F286 HydrophobicContact CG-CE1 4.29Å; L211-F286 HydrophobicContact CG-CE2 4.28Å; L211-F286 HydrophobicContact CG-CZ 3.98Å; L211-I289 HydrophobicContact CB-CD1 4.19Å; L211-I289 HydrophobicContact CD2-CD1 3.76Å
212	N	97.6	Very high	95.3	Very high	79 Å²	79	58.9 Å²	58.9	42%	0.422	28%	0.281	S	S	.	.	H	α-helix	trans	-61.6	-44.8	177.7	-69.1	-16.7	0	0	0	111.4	Q208 E209 K215 S216	Q208-N212 PolarHBondContact NE2-OD1 3.39Å; Q208-N212 WeakPolarHBondContact O-CB 3.43Å; Q208-N212 PolarHBondContact O-N 3.15Å; Q208-N212 PolarHBondContact O-ND2 3.08Å; E209-N212 PolarHBondContact O-N 2.57Å; N212-K215 PolarHBondContact O-N 3.25Å; N212-S216 PolarHBondContact O-N 3.06Å
213	L	96.3	Very high	95	Very high	30 Å²	30	54.7 Å²	54.7	16%	0.157	26%	0.258	C	S	.	.	H	α-helix	trans	-65.3	-44.6	177.7	-179.5	62.5	0	0	0	111.5	W175 F187 E209 A210 L211 K215 S216 I217	W175-L213 HydrophobicContact CH2-CD1 3.87Å; W175-L213 HydrophobicContact CH2-CD2 3.68Å; W175-L213 HydrophobicContact CH2-CG 4.18Å; W175-L213 HydrophobicContact CZ3-CD1 3.76Å; W175-L213 HydrophobicContact CZ3-CD2 4.3Å; W175-L213 HydrophobicContact CZ3-CG 4.32Å; F187-L213 HydrophobicContact CE2-CD2 4.02Å; F187-L213 HydrophobicContact CE2-CG 3.89Å; F187-L213 HydrophobicContact CZ-CB 4.17Å; F187-L213 HydrophobicContact CZ-CD2 3.93Å; F187-L213 HydrophobicContact CZ-CG 3.93Å; E209-L213 VanDerWaalsContact O-CB 3.24Å; E209-L213 WeakPolarHBondContact O-CB 3.01Å; E209-L213 PolarHBondContact O-N 3.33Å; A210-L213 PolarHBondContact O-N 3.18Å; L211-L213 VanDerWaalsContact C-N 3.35Å; L211-L213 PolarHBondContact O-N 3.09Å; L213-K215 VanDerWaalsContact C-N 3.34Å; L213-K215 PolarHBondContact O-N 2.93Å; L213-S216 WeakPolarHBondContact O-CB 3.37Å; L213-S216 PolarHBondContact O-N 2.63Å; L213-S216 VanDerWaalsContact O-N 3.17Å; L213-I217 WeakPolarHBondContact O-CG1 3.15Å; L213-I217 PolarHBondContact O-N 2.76Å
214	F	96.9	Very high	94.6	Very high	0 Å²	0	54 Å²	54	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-59.8	-44.9	175.5	-179.1	-99.2	0	0	0	111.4	F187 A210 L211 S216 I217 W218 V228 L230 F286 I289	F187-F214 HydrophobicContact CB-CD2 4.32Å; F187-F214 HydrophobicContact CD1-CB 4.4Å; F187-F214 AromaticContact CD1-CD2 3.77Å; F187-F214 HydrophobicContact CD1-CD2 3.77Å; F187-F214 HydrophobicContact CD2-CD2 4.21Å; F187-F214 HydrophobicContact CE1-CB 3.84Å; F187-F214 HydrophobicContact CE1-CD2 4.09Å; F187-F214 HydrophobicContact CE1-CG 4.45Å; F187-F214 HydrophobicContact CE2-CB 4.29Å; F187-F214 AromaticContact CG-CD2 3.83Å; F187-F214 HydrophobicContact CG-CD2 3.83Å; F187-F214 HydrophobicContact CZ-CB 3.78Å; F187-F214 HydrophobicContact CZ-CD2 4.45Å; A210-F214 VanDerWaalsContact O-CB 3.29Å; A210-F214 WeakPolarHBondContact O-CB 3.06Å; A210-F214 PolarHBondContact O-N 3.04Å; L211-F214 PolarHBondContact O-N 3.26Å; F214-S216 VanDerWaalsContact C-N 3.29Å; F214-S216 PolarHBondContact O-N 3.08Å; F214-I217 PolarHBondContact O-N 2.85Å; F214-W218 HydrophobicContact CE1-CB 4.48Å; F214-W218 HydrophobicContact CZ-CE3 4.18Å; F214-W218 VanDerWaalsContact O-CB 3.29Å; F214-W218 WeakPolarHBondContact O-CB 3.36Å; F214-W218 PolarHBondContact O-N 3.2Å; F214-V228 HydrophobicContact CE2-CB 4.42Å; F214-V228 HydrophobicContact CE2-CG1 3.86Å; F214-L230 HydrophobicContact CD2-CD1 4.34Å; F214-L230 HydrophobicContact CE2-CD1 4.23Å; F214-F286 HydrophobicContact CB-CD1 3.74Å; F214-F286 HydrophobicContact CB-CE1 3.71Å; F214-F286 HydrophobicContact CD1-CB 4.49Å; F214-F286 AromaticContact CD1-CD1 3.71Å; F214-F286 HydrophobicContact CD1-CD1 3.71Å; F214-F286 HydrophobicContact CD2-CD1 4Å; F214-F286 HydrophobicContact CE1-CB 4.35Å; F214-F286 HydrophobicContact CE1-CD1 4.3Å; F214-F286 WeakPolarHBondContact CE1-O 3.34Å; F214-F286 AromaticContact CG-CD1 3.55Å; F214-F286 HydrophobicContact CG-CD1 3.55Å; F214-F286 HydrophobicContact CG-CE1 4.04Å; F214-I289 HydrophobicContact CD1-CB 4.03Å; F214-I289 HydrophobicContact CD1-CD1 4.07Å; F214-I289 HydrophobicContact CD1-CG2 3.81Å; F214-I289 HydrophobicContact CE1-CB 4.06Å; F214-I289 HydrophobicContact CE1-CG2 3.99Å
215	K	96.3	Very high	94.1	Very high	121 Å²	121	56.7 Å²	56.7	53%	0.526	27%	0.266	S	S	.	.	H	α-helix	trans	-58.8	-39.5	174.9	-173.3	176.4	-177.1	177.9	0	112.5	L211 N212 L213 N219 I289	L211-K215 WeakPolarHBondContact O-CB 3.4Å; L211-K215 PolarHBondContact O-N 3.13Å; N212-K215 PolarHBondContact O-N 3.25Å; L213-K215 VanDerWaalsContact C-N 3.34Å; L213-K215 PolarHBondContact O-N 2.93Å; K215-N219 WeakPolarHBondContact O-CB 3.42Å; K215-N219 PolarHBondContact O-N 3.08Å; K215-N219 VanDerWaalsContact O-N 3.13Å; K215-N219 PolarHBondContact O-ND2 2.98Å; K215-I289 HydrophobicContact CB-CD1 4.28Å; K215-I289 HydrophobicContact CB-CG2 3.83Å; K215-I289 HydrophobicContact CG-CG2 3.97Å
216	S	94.1	Very high	93.6	Very high	74 Å²	74	56.2 Å²	56.2	52%	0.517	26%	0.263	S	S	.	.	H	α-helix	trans	-64.6	-45.2	175.9	-176.2	0	0	0	0	111.8	N212 L213 F214 N220	N212-S216 PolarHBondContact O-N 3.06Å; L213-S216 WeakPolarHBondContact O-CB 3.37Å; L213-S216 PolarHBondContact O-N 2.63Å; L213-S216 VanDerWaalsContact O-N 3.17Å; F214-S216 VanDerWaalsContact C-N 3.29Å; F214-S216 PolarHBondContact O-N 3.08Å; S216-N220 WeakPolarHBondContact O-CB 3.44Å; S216-N220 PolarHBondContact O-N 3.22Å; S216-N220 VanDerWaalsContact O-N 3.15Å
217	I	92.6	Very high	93.3	Very high	7 Å²	7	54.6 Å²	54.6	4%	0.036	26%	0.258	C	S	.	.	H	α-helix	trans	-65.3	-48	177.4	-68.9	-63.1	0	0	0	111.4	M1 W175 F179 I185 F187 L213 F214 N219 N220 L223	M1-I217 HydrophobicContact SD-CD1 4.12Å; M1-I217 HydrophobicContact SD-CG1 4.28Å; W175-I217 HydrophobicContact CE3-CD1 3.99Å; W175-I217 HydrophobicContact CZ3-CD1 3.9Å; W175-I217 HydrophobicContact CZ3-CG1 4.27Å; F179-I217 HydrophobicContact CZ-CD1 4.19Å; I185-I217 HydrophobicContact CD1-CG2 3.84Å; F187-I217 HydrophobicContact CE2-CG1 4.35Å; L213-I217 WeakPolarHBondContact O-CG1 3.15Å; L213-I217 PolarHBondContact O-N 2.76Å; F214-I217 PolarHBondContact O-N 2.85Å; I217-N219 VanDerWaalsContact C-N 3.33Å; I217-N219 PolarHBondContact O-N 3.19Å; I217-N220 WeakPolarHBondContact O-CB 3.5Å; I217-N220 PolarHBondContact O-N 3.01Å; I217-N220 VanDerWaalsContact O-N 3.12Å; I217-L223 HydrophobicContact CD1-CD1 4.17Å; I217-L223 HydrophobicContact CG2-CD1 3.93Å
218	W	94.3	Very high	93	Very high	8 Å²	8	54.6 Å²	54.6	3%	0.03	26%	0.258	C	S	.	.	H	α-helix	trans	-59.1	-42.6	-179.3	-174.7	-99.6	0	0	0	112.4	F214 N220 V228 I289 S290 S293 H298 C300	F214-W218 HydrophobicContact CE1-CB 4.48Å; F214-W218 HydrophobicContact CZ-CE3 4.18Å; F214-W218 VanDerWaalsContact O-CB 3.29Å; F214-W218 WeakPolarHBondContact O-CB 3.36Å; F214-W218 PolarHBondContact O-N 3.2Å; W218-N220 VanDerWaalsContact C-N 3.32Å; W218-N220 PolarHBondContact O-N 3.31Å; W218-V228 HydrophobicContact CE3-CG2 4.01Å; W218-V228 HydrophobicContact CZ3-CB 4.4Å; W218-V228 HydrophobicContact CZ3-CG2 4.16Å; W218-I289 HydrophobicContact CB-CG2 4.49Å; W218-S290 VanDerWaalsContact CE2-CA 3.42Å; W218-S290 WeakPolarHBondContact CZ2-O 3.36Å; W218-S290 PolarHBondContact NE1-O 2.96Å; W218-S293 PolarHBondContact NE1-OG 3.1Å; W218-H298 AromaticContact CD2-CE1 3.9Å; W218-H298 AromaticContact CD2-NE2 3.84Å; W218-H298 AromaticContact CE2-CE1 3.95Å; W218-H298 AromaticContact CE2-NE2 3.41Å; W218-H298 AromaticContact CE3-CE1 3.92Å; W218-H298 AromaticContact CH2-CD2 3.65Å; W218-H298 AromaticContact CH2-NE2 3.65Å; W218-H298 AromaticContact CZ2-CD2 3.63Å; W218-H298 AromaticContact CZ2-NE2 3.33Å; W218-H298 VanDerWaalsContact CZ2-NE2 3.33Å; W218-H298 WeakPolarHBondContact CZ2-NE2 3.47Å; W218-H298 AromaticContact CZ3-CE1 4Å; W218-H298 AromaticContact NE1-NE2 3.94Å; W218-H298 PolarHBondContact O-CE1 2.76Å; W218-C300 HydrophobicContact CH2-CB 4.12Å; W218-C300 HydrophobicContact CZ3-CB 3.88Å
219	N	92.1	Very high	92.9	Very high	76 Å²	76	51 Å²	51	41%	0.406	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.9	8	-179.7	-61.9	-66.2	0	0	0	113.4	K215 I217 R221 S293	K215-N219 WeakPolarHBondContact O-CB 3.42Å; K215-N219 PolarHBondContact O-N 3.08Å; K215-N219 VanDerWaalsContact O-N 3.13Å; K215-N219 PolarHBondContact O-ND2 2.98Å; I217-N219 VanDerWaalsContact C-N 3.33Å; I217-N219 PolarHBondContact O-N 3.19Å; N219-R221 PolarHBondContact O-N 2.92Å; N219-S293 PolarHBondContact OD1-OG 2.91Å
220	N	89.6	Confident	92.9	Very high	29 Å²	29	50.2 Å²	50.2	16%	0.155	24%	0.237	C	C	.	.			trans	-68.2	129.4	-177.5	-169.8	-55.6	0	0	0	110.7	S216 I217 W218 W222 L223 R224	S216-N220 WeakPolarHBondContact O-CB 3.44Å; S216-N220 PolarHBondContact O-N 3.22Å; S216-N220 VanDerWaalsContact O-N 3.15Å; I217-N220 WeakPolarHBondContact O-CB 3.5Å; I217-N220 PolarHBondContact O-N 3.01Å; I217-N220 VanDerWaalsContact O-N 3.12Å; W218-N220 VanDerWaalsContact C-N 3.32Å; W218-N220 PolarHBondContact O-N 3.31Å; N220-W222 PolarHBondContact O-N 3.49Å; N220-W222 VanDerWaalsContact O-N 3.16Å; N220-W222 WeakPolarHBondContact OD1-CB 3.46Å; N220-W222 PolarHBondContact OD1-N 3.32Å; N220-L223 HydrophobicContact CB-CB 4.14Å; N220-L223 HydrophobicContact CB-CD1 3.95Å; N220-L223 HydrophobicContact CB-CG 4.11Å; N220-L223 PolarHBondContact O-N 3.31Å; N220-R224 PolarHBondContact O-N 3.04Å
221	R	88.5	Confident	92.8	Very high	183 Å²	183	50.4 Å²	50.4	69%	0.691	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-32.1	-178.6	74.8	177.6	75.2	-175.5	4.2	113.7	N219 L223	N219-R221 PolarHBondContact O-N 2.92Å; R221-L223 VanDerWaalsContact C-N 3.33Å
222	W	86.9	Confident	92.8	Very high	159 Å²	159	50.1 Å²	50.1	60%	0.602	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.6	-10.7	-178.2	-56.8	-65.2	0	0	0	112.6	I176 N220	I176-W222 HydrophobicContact CD1-CD2 4.02Å; I176-W222 HydrophobicContact CD1-CE3 3.67Å; I176-W222 HydrophobicContact CD1-CZ3 3.96Å; N220-W222 PolarHBondContact O-N 3.49Å; N220-W222 VanDerWaalsContact O-N 3.16Å; N220-W222 WeakPolarHBondContact OD1-CB 3.46Å; N220-W222 PolarHBondContact OD1-N 3.32Å
223	L	88.5	Confident	92.9	Very high	2 Å²	2	47.3 Å²	47.3	1%	0.01	22%	0.219	C	C	.	.	S	Bend	trans	-117.7	11.8	-174.8	-56.6	175	0	0	0	113.3	F179 I185 I217 N220 R221 T225 I226 H298	F179-L223 HydrophobicContact CD1-CD2 4.47Å; F179-L223 HydrophobicContact CD2-CD1 4.34Å; F179-L223 HydrophobicContact CD2-CD2 4.12Å; F179-L223 HydrophobicContact CD2-CG 4.37Å; F179-L223 HydrophobicContact CE2-CD1 3.87Å; F179-L223 HydrophobicContact CE2-CD2 4.45Å; F179-L223 HydrophobicContact CE2-CG 4.38Å; F179-L223 HydrophobicContact CG-CD2 4.14Å; F179-L223 HydrophobicContact CZ-CD1 4.02Å; I185-L223 HydrophobicContact CD1-CD1 3.52Å; I185-L223 HydrophobicContact CD1-CD2 3.98Å; I185-L223 HydrophobicContact CD1-CG 4.21Å; I217-L223 HydrophobicContact CD1-CD1 4.17Å; I217-L223 HydrophobicContact CG2-CD1 3.93Å; N220-L223 HydrophobicContact CB-CB 4.14Å; N220-L223 HydrophobicContact CB-CD1 3.95Å; N220-L223 HydrophobicContact CB-CG 4.11Å; N220-L223 PolarHBondContact O-N 3.31Å; R221-L223 VanDerWaalsContact C-N 3.33Å; L223-T225 PolarHBondContact O-N 3.01Å; L223-T225 VanDerWaalsContact O-N 3.08Å; L223-I226 HydrophobicContact CB-CB 4.37Å; L223-I226 HydrophobicContact CB-CG1 4.49Å; L223-I226 HydrophobicContact CD2-CB 4.41Å; L223-I226 HydrophobicContact CD2-CG1 4.1Å; L223-I226 PolarHBondContact O-N 2.9Å; L223-H298 PolarHBondContact O-ND1 3.11Å
224	R	86.8	Confident	92.9	Very high	145 Å²	145	47.7 Å²	47.7	55%	0.547	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-22.8	-174	-73.5	-176.8	172.4	-175	-3	115.2	N220	N220-R224 PolarHBondContact O-N 3.04Å
225	T	87.3	Confident	92.9	Very high	91 Å²	91	48.9 Å²	48.9	56%	0.558	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-107.8	-2.7	178.1	55.5	0	0	0	0	112.2	L223	L223-T225 PolarHBondContact O-N 3.01Å; L223-T225 VanDerWaalsContact O-N 3.08Å
226	I	89.3	Confident	92.9	Very high	19 Å²	19	45.8 Å²	45.8	10%	0.097	21%	0.214	C	C	.	.			trans	-93.9	116.4	-174.9	-51.7	-50	0	0	0	108	V182 I185 L223 H298	V182-I226 HydrophobicContact CB-CG2 4.43Å; V182-I226 HydrophobicContact CG1-CG2 3.89Å; V182-I226 VanDerWaalsContact O-CD1 3.29Å; V182-I226 WeakPolarHBondContact O-CD1 3.37Å; I185-I226 HydrophobicContact CD1-CG2 4.23Å; I185-I226 HydrophobicContact CG1-CG2 3.92Å; L223-I226 HydrophobicContact CB-CB 4.37Å; L223-I226 HydrophobicContact CB-CG1 4.49Å; L223-I226 HydrophobicContact CD2-CB 4.41Å; L223-I226 HydrophobicContact CD2-CG1 4.1Å; L223-I226 PolarHBondContact O-N 2.9Å; I226-H298 PolarHBondContact O-ND1 3.36Å
227	S	90.8	Very high	93	Very high	6 Å²	6	44.3 Å²	44.3	4%	0.042	20%	0.2	C	C	.	.			trans	-76.2	154.9	177	-52.3	0	0	0	0	111	I185 Y299	I185-S227 PolarHBondContact N-O 3.36Å; I185-S227 VanDerWaalsContact N-O 3.15Å; S227-Y299 WeakPolarHBondContact CA-O 3.17Å; S227-Y299 WeakPolarHBondContact CB-O 3.34Å; S227-Y299 PolarHBondContact OG-N 2.73Å
228	V	93.6	Very high	93.3	Very high	2 Å²	2	44 Å²	44	1%	0.012	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	122.7	-175.9	-174	0	0	0	0	109.5	I185 F187 F214 W218 Y299 C300 Y301	I185-V228 HydrophobicContact CB-CG1 4.42Å; I185-V228 HydrophobicContact CB-CG2 4.33Å; I185-V228 HydrophobicContact CG2-CG1 4.33Å; I185-V228 CarbonylContact O-C 3.56Å; I185-V228 WeakPolarHBondContact O-CA 3.43Å; F187-V228 HydrophobicContact CB-CG1 3.62Å; F214-V228 HydrophobicContact CE2-CB 4.42Å; F214-V228 HydrophobicContact CE2-CG1 3.86Å; W218-V228 HydrophobicContact CE3-CG2 4.01Å; W218-V228 HydrophobicContact CZ3-CB 4.4Å; W218-V228 HydrophobicContact CZ3-CG2 4.16Å; V228-Y299 PolarHBondContact N-O 3.37Å; V228-C300 CarbonylContact O-C 3.57Å; V228-C300 VanDerWaalsContact O-CA 3.3Å; V228-C300 WeakPolarHBondContact O-CA 3.43Å; V228-Y301 PolarHBondContact O-N 2.92Å
229	I	95.1	Very high	93.5	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	115.4	166	-59.8	170.7	0	0	0	106.4	A184 I185 I186 F187 F231 Y301 C320 I324	A184-I229 HydrophobicContact CB-CD1 4.33Å; I185-I229 PolarHBondContact O-N 2.84Å; I186-I229 CarbonylContact C-O 3.48Å; I186-I229 WeakPolarHBondContact CA-O 3.42Å; I186-I229 HydrophobicContact CG1-CB 4.26Å; I186-I229 HydrophobicContact CG1-CD1 4.38Å; F187-I229 PolarHBondContact N-O 3.07Å; I229-F231 HydrophobicContact CG2-CD1 3.83Å; I229-F231 HydrophobicContact CG2-CE1 3.41Å; I229-F231 VanDerWaalsContact CG2-CE1 3.41Å; I229-F231 HydrophobicContact CG2-CZ 4.3Å; I229-Y301 HydrophobicContact CG1-CD2 4.47Å; I229-C320 HydrophobicContact CD1-CB 3.96Å; I229-C320 WeakPolarHBondContact CG2-SG 3.23Å; I229-I324 HydrophobicContact CD1-CD1 3.78Å; I229-I324 HydrophobicContact CD1-CG1 3.76Å
230	L	97.1	Very high	93.7	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	109.7	-175.2	174.1	66.9	0	0	0	109.7	F187 V189 F214 L232 F286 Y301 P302 H303	F187-L230 HydrophobicContact CB-CD1 4.29Å; F187-L230 HydrophobicContact CD1-CD1 3.76Å; F187-L230 HydrophobicContact CG-CD1 4.47Å; F187-L230 CarbonylContact O-C 3.59Å; V189-L230 HydrophobicContact CG2-CD1 3.66Å; F214-L230 HydrophobicContact CD2-CD1 4.34Å; F214-L230 HydrophobicContact CE2-CD1 4.23Å; L230-L232 HydrophobicContact CD2-CD2 4.17Å; L230-L232 HydrophobicContact CD2-CG 4.44Å; L230-L232 HydrophobicContact CG-CD2 4.23Å; L230-L232 HydrophobicContact CG-CG 4.32Å; L230-F286 HydrophobicContact CD1-CD1 4.11Å; L230-F286 HydrophobicContact CD1-CG 4.33Å; L230-F286 HydrophobicContact CD2-CB 3.39Å; L230-F286 HydrophobicContact CD2-CD1 4.26Å; L230-F286 HydrophobicContact CD2-CD2 4.32Å; L230-F286 HydrophobicContact CD2-CG 3.76Å; L230-Y301 PolarHBondContact N-O 3.4Å; L230-P302 HydrophobicContact CD2-CB 4.39Å; L230-P302 CarbonylContact O-C 3.49Å; L230-P302 WeakPolarHBondContact O-CA 3.3Å; L230-H303 PolarHBondContact O-N 3.46Å
231	F	97.9	Very high	94.1	Very high	21 Å²	21	47.2 Å²	47.2	9%	0.092	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	106.8	173	-74.6	3.2	0	0	0	110	I186 F187 V188 V189 I229 N233 H303 T305 V316	I186-F231 HydrophobicContact CG2-CD1 4.25Å; I186-F231 HydrophobicContact CG2-CD2 3.63Å; I186-F231 HydrophobicContact CG2-CE1 4.3Å; I186-F231 HydrophobicContact CG2-CE2 3.68Å; I186-F231 HydrophobicContact CG2-CG 3.93Å; I186-F231 HydrophobicContact CG2-CZ 4.02Å; F187-F231 PolarHBondContact O-N 3.3Å; V188-F231 HydrophobicContact CB-CB 4.49Å; V188-F231 HydrophobicContact CG1-CB 4.36Å; V188-F231 HydrophobicContact CG2-CB 4.24Å; V188-F231 HydrophobicContact CG2-CD2 4.32Å; V189-F231 PolarHBondContact N-O 2.83Å; I229-F231 HydrophobicContact CG2-CD1 3.83Å; I229-F231 HydrophobicContact CG2-CE1 3.41Å; I229-F231 VanDerWaalsContact CG2-CE1 3.41Å; I229-F231 HydrophobicContact CG2-CZ 4.3Å; F231-N233 VanDerWaalsContact C-N 3.32Å; F231-N233 PolarHBondContact O-N 2.78Å; F231-N233 VanDerWaalsContact O-N 3.13Å; F231-H303 HydrophobicContact CD1-CB 4.1Å; F231-H303 HydrophobicContact CE1-CB 4.29Å; F231-T305 HydrophobicContact CB-CG2 3.99Å; F231-T305 HydrophobicContact CD1-CG2 3.81Å; F231-T305 HydrophobicContact CD2-CG2 4.07Å; F231-T305 HydrophobicContact CE1-CG2 4.27Å; F231-T305 HydrophobicContact CG-CG2 3.7Å; F231-V316 HydrophobicContact CD1-CG1 4.25Å; F231-V316 HydrophobicContact CE1-CG1 3.44Å; F231-V316 VanDerWaalsContact CE1-CG1 3.44Å; F231-V316 HydrophobicContact CZ-CG1 3.67Å
232	L	98.4	Very high	94.6	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.005	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	84	168.3	-61.7	170.7	0	0	0	107.4	V189 L230 Q235 I282 R283 F286 H303 F304 T305	V189-L232 HydrophobicContact CB-CD2 4.3Å; V189-L232 HydrophobicContact CG2-CD2 4.41Å; L230-L232 HydrophobicContact CD2-CD2 4.17Å; L230-L232 HydrophobicContact CD2-CG 4.44Å; L230-L232 HydrophobicContact CG-CD2 4.23Å; L230-L232 HydrophobicContact CG-CG 4.32Å; L232-Q235 WeakPolarHBondContact O-CG 3.47Å; L232-Q235 PolarHBondContact O-NE2 2.79Å; L232-I282 HydrophobicContact CD2-CG2 4.07Å; L232-R283 HydrophobicContact CD1-CB 3.49Å; L232-R283 VanDerWaalsContact CD1-CB 3.49Å; L232-R283 HydrophobicContact CD1-CG 3.83Å; L232-F286 HydrophobicContact CD2-CD2 4Å; L232-F286 HydrophobicContact CD2-CE2 4.21Å; L232-H303 PolarHBondContact N-O 3.33Å; L232-F304 HydrophobicContact CB-CD1 3.94Å; L232-F304 HydrophobicContact CB-CE1 4.41Å; L232-F304 HydrophobicContact CD1-CD1 3.77Å; L232-F304 HydrophobicContact CD1-CE1 3.45Å; L232-F304 VanDerWaalsContact CD1-CE1 3.45Å; L232-F304 HydrophobicContact CD1-CZ 4.3Å; L232-T305 PolarHBondContact O-N 3.35Å
233	N	97.9	Very high	95.1	Very high	20 Å²	20	35.4 Å²	35.4	11%	0.107	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	167.2	-169	-166.1	34.2	0	0	0	113	V188 V189 S191 F231 T305 A307	V188-N233 HydrophobicContact CG1-CB 3.73Å; V189-N233 VanDerWaalsContact O-CA 3.32Å; V189-N233 WeakPolarHBondContact O-CA 3.25Å; V189-N233 VanDerWaalsContact O-CB 3.22Å; V189-N233 WeakPolarHBondContact O-CB 3.06Å; V189-N233 PolarHBondContact O-N 2.8Å; S191-N233 WeakPolarHBondContact CB-O 3.25Å; S191-N233 PolarHBondContact N-O 3.24Å; S191-N233 PolarHBondContact OG-O 2.88Å; F231-N233 VanDerWaalsContact C-N 3.32Å; F231-N233 PolarHBondContact O-N 2.78Å; F231-N233 VanDerWaalsContact O-N 3.13Å; N233-T305 CarbonylContact C-O 3.57Å; N233-T305 VanDerWaalsContact CA-O 3.29Å; N233-T305 WeakPolarHBondContact CA-O 3.21Å; N233-T305 VanDerWaalsContact CA-OG1 3.25Å; N233-T305 WeakPolarHBondContact CA-OG1 3.44Å; N233-T305 WeakPolarHBondContact CB-OG1 3.35Å; N233-T305 PolarHBondContact OD1-O 3.17Å; N233-T305 PolarHBondContact OD1-OG1 3.47Å; N233-T305 VanDerWaalsContact OD1-OG1 3.07Å; N233-A307 WeakPolarHBondContact ND2-CB 3.41Å; N233-A307 WeakPolarHBondContact OD1-CB 3.34Å; N233-A307 PolarHBondContact OD1-N 2.96Å
234	K	97	Very high	95.5	Very high	37 Å²	37	38.1 Å²	38.1	16%	0.161	20%	0.199	C	C	.	.			trans	65.7	41.5	-177.9	-52	-179.3	172.8	-176	0	112.7	D114 A190 S192 D236 L237 L238 T305	D114-K234 IonicContact OD1-NZ 2.59Å; D114-K234 PolarHBondContact OD1-NZ 3.46Å; D114-K234 IonicContact OD2-NZ 2.62Å; D114-K234 PolarHBondContact OD2-NZ 3.37Å; A190-K234 HydrophobicContact CB-CD 3.84Å; S192-K234 WeakPolarHBondContact OG-CB 3.42Å; S192-K234 WeakPolarHBondContact OG-CD 3.43Å; K234-D236 VanDerWaalsContact C-OD1 3.29Å; K234-D236 WeakPolarHBondContact CA-OD1 3.41Å; K234-D236 PolarHBondContact O-N 3.44Å; K234-L237 HydrophobicContact CB-CB 4.33Å; K234-L237 HydrophobicContact CB-CD1 4.38Å; K234-L237 HydrophobicContact CD-CD1 4.18Å; K234-L237 PolarHBondContact O-N 3.4Å; K234-L238 WeakPolarHBondContact O-CB 3.3Å; K234-L238 PolarHBondContact O-N 2.94Å; K234-T305 PolarHBondContact N-O 3.02Å; K234-T305 VanDerWaalsContact N-O 3.15Å
235	Q	98.1	Very high	95.9	Very high	26 Å²	26	33.3 Å²	33.3	12%	0.121	20%	0.195	C	C	.	.	H	α-helix	trans	-63.6	-31.6	178.3	-66.1	-60	-52.4	0	0	112.7	L232 L238 A239 K279 F304 T305	L232-Q235 WeakPolarHBondContact O-CG 3.47Å; L232-Q235 PolarHBondContact O-NE2 2.79Å; Q235-L238 PolarHBondContact O-N 3.2Å; Q235-A239 WeakPolarHBondContact O-CB 3.42Å; Q235-A239 PolarHBondContact O-N 3.44Å; Q235-K279 VanDerWaalsContact OE1-CB 3.31Å; Q235-F304 HydrophobicContact CG-CB 4Å; Q235-T305 WeakPolarHBondContact CG-O 3.29Å; Q235-T305 PolarHBondContact N-O 3.16Å
236	D	95.3	Very high	96.3	Very high	55 Å²	55	35.5 Å²	35.5	29%	0.294	20%	0.196	S	C	.	.	H	α-helix	trans	-56.8	-55.2	171	54.8	-40.2	0	0	0	111.4	K234 L238 A239 E240 C306	K234-D236 VanDerWaalsContact C-OD1 3.29Å; K234-D236 WeakPolarHBondContact CA-OD1 3.41Å; K234-D236 PolarHBondContact O-N 3.44Å; D236-L238 VanDerWaalsContact C-N 3.31Å; D236-L238 PolarHBondContact O-N 3.33Å; D236-A239 PolarHBondContact O-N 3.08Å; D236-E240 PolarHBondContact O-N 2.71Å; D236-E240 VanDerWaalsContact O-N 3.07Å; D236-C306 PolarHBondContact OD1-SG 3.19Å; D236-C306 VanDerWaalsContact OD1-SG 3.32Å
237	L	96.5	Very high	96.6	Very high	44 Å²	44	35.4 Å²	35.4	23%	0.23	20%	0.197	C	C	.	.	H	α-helix	trans	-69.8	-28.5	179.7	-61.6	178.5	0	0	0	112.7	D114 K234 K241	D114-L237 HydrophobicContact CB-CD1 4.14Å; K234-L237 HydrophobicContact CB-CB 4.33Å; K234-L237 HydrophobicContact CB-CD1 4.38Å; K234-L237 HydrophobicContact CD-CD1 4.18Å; K234-L237 PolarHBondContact O-N 3.4Å; L237-K241 VanDerWaalsContact O-CB 3.28Å; L237-K241 WeakPolarHBondContact O-CB 3.42Å; L237-K241 PolarHBondContact O-N 2.98Å; L237-K241 VanDerWaalsContact O-N 3.15Å
238	L	98.5	Very high	97	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-67	-47.5	174.1	176.8	64	0	0	0	110.2	Y194 K234 Q235 D236 K241 V242 K279 I282	Y194-L238 HydrophobicContact CD1-CD1 3.97Å; Y194-L238 HydrophobicContact CE1-CD1 3.81Å; K234-L238 WeakPolarHBondContact O-CB 3.3Å; K234-L238 PolarHBondContact O-N 2.94Å; Q235-L238 PolarHBondContact O-N 3.2Å; D236-L238 VanDerWaalsContact C-N 3.31Å; D236-L238 PolarHBondContact O-N 3.33Å; L238-K241 PolarHBondContact O-N 2.92Å; L238-V242 HydrophobicContact CD1-CG2 3.9Å; L238-V242 HydrophobicContact CG-CG2 4.33Å; L238-V242 WeakPolarHBondContact O-CB 3.34Å; L238-V242 VanDerWaalsContact O-CG2 3.23Å; L238-V242 WeakPolarHBondContact O-CG2 3.47Å; L238-V242 PolarHBondContact O-N 2.9Å; L238-K279 HydrophobicContact CD2-CB 3.8Å; L238-I282 HydrophobicContact CD1-CD1 4Å; L238-I282 HydrophobicContact CD2-CD1 4.03Å
239	A	98.1	Very high	97.2	Very high	25 Å²	25	40.3 Å²	40.3	21%	0.207	22%	0.218	C	C	.	.	H	α-helix	trans	-60.1	-49.8	179.2	0	0	0	0	0	111.1	Q235 D236 K241 V242 L243 V275	Q235-A239 WeakPolarHBondContact O-CB 3.42Å; Q235-A239 PolarHBondContact O-N 3.44Å; D236-A239 PolarHBondContact O-N 3.08Å; A239-K241 VanDerWaalsContact C-N 3.34Å; A239-K241 PolarHBondContact O-N 2.89Å; A239-V242 PolarHBondContact O-N 3.01Å; A239-L243 WeakPolarHBondContact O-CB 3.18Å; A239-L243 WeakPolarHBondContact O-CG 3.26Å; A239-L243 PolarHBondContact O-N 2.58Å; A239-V275 HydrophobicContact CB-CG1 3.78Å; A239-V275 HydrophobicContact CB-CG2 4.01Å
240	E	96.6	Very high	97.4	Very high	105 Å²	105	43.3 Å²	43.3	49%	0.491	23%	0.232	S	C	.	.	H	α-helix	trans	-53.6	-50.9	176.6	-175.5	-175.4	166.4	0	0	111.7	D236 V242 L243 A244	D236-E240 PolarHBondContact O-N 2.71Å; D236-E240 VanDerWaalsContact O-N 3.07Å; E240-V242 PolarHBondContact O-N 3.46Å; E240-L243 PolarHBondContact O-N 2.98Å; E240-A244 WeakPolarHBondContact O-CB 3.49Å; E240-A244 PolarHBondContact O-N 3.07Å
241	K	97.6	Very high	97.4	Very high	50 Å²	50	48.6 Å²	48.6	22%	0.217	26%	0.26	C	S	.	.	H	α-helix	trans	-66.4	-40.7	-176.6	-166.6	177.4	-71.8	-173.2	0	113.1	S192 Y194 N195 L237 L238 A239 G245	S192-K241 PolarHBondContact O-NZ 3.31Å; Y194-K241 HydrophobicContact CE1-CD 3.68Å; Y194-K241 HydrophobicContact CE1-CG 4.25Å; Y194-K241 HydrophobicContact CE2-CD 4.48Å; Y194-K241 WeakPolarHBondContact OH-CD 3.35Å; Y194-K241 VanDerWaalsContact OH-CG 3.32Å; Y194-K241 WeakPolarHBondContact OH-CG 3.43Å; N195-K241 PolarHBondContact OD1-NZ 3.46Å; L237-K241 VanDerWaalsContact O-CB 3.28Å; L237-K241 WeakPolarHBondContact O-CB 3.42Å; L237-K241 PolarHBondContact O-N 2.98Å; L237-K241 VanDerWaalsContact O-N 3.15Å; L238-K241 PolarHBondContact O-N 2.92Å; A239-K241 VanDerWaalsContact C-N 3.34Å; A239-K241 PolarHBondContact O-N 2.89Å; K241-G245 PolarHBondContact O-N 3.05Å
242	V	98.4	Very high	97.5	Very high	23 Å²	23	51.8 Å²	51.8	14%	0.139	27%	0.272	C	S	.	.	H	α-helix	trans	-65.6	-43.3	177.2	168.6	0	0	0	0	110.8	L238 A239 E240 G245 I249 R274 V275 A278	L238-V242 HydrophobicContact CD1-CG2 3.9Å; L238-V242 HydrophobicContact CG-CG2 4.33Å; L238-V242 WeakPolarHBondContact O-CB 3.34Å; L238-V242 VanDerWaalsContact O-CG2 3.23Å; L238-V242 WeakPolarHBondContact O-CG2 3.47Å; L238-V242 PolarHBondContact O-N 2.9Å; A239-V242 PolarHBondContact O-N 3.01Å; E240-V242 PolarHBondContact O-N 3.46Å; V242-G245 PolarHBondContact O-N 2.87Å; V242-I249 HydrophobicContact CG2-CD1 4.22Å; V242-R274 HydrophobicContact CG1-CB 4.02Å; V242-V275 HydrophobicContact CG1-CG2 4.32Å; V242-A278 HydrophobicContact CG1-CB 4.25Å; V242-A278 HydrophobicContact CG2-CB 3.66Å
243	L	98.2	Very high	97.5	Very high	72 Å²	72	52.1 Å²	52.1	38%	0.377	27%	0.274	S	S	.	.	H	α-helix	trans	-71.5	-33.5	-179.1	-67.1	175.5	0	0	0	112.6	A239 E240 G245 D272 R274 V275	A239-L243 WeakPolarHBondContact O-CB 3.18Å; A239-L243 WeakPolarHBondContact O-CG 3.26Å; A239-L243 PolarHBondContact O-N 2.58Å; E240-L243 PolarHBondContact O-N 2.98Å; L243-G245 PolarHBondContact O-N 2.92Å; L243-D272 HydrophobicContact CD2-CB 3.78Å; L243-D272 WeakPolarHBondContact CD2-OD2 3.33Å; L243-R274 VanDerWaalsContact CD2-NH2 3.32Å; L243-V275 HydrophobicContact CD1-CG2 4.12Å; L243-V275 HydrophobicContact CD2-CG2 3.91Å; L243-V275 HydrophobicContact CG-CG2 3.79Å
244	A	96.9	Very high	97.5	Very high	58 Å²	58	55.2 Å²	55.2	48%	0.479	30%	0.295	S	S	.	.	H	α-helix	trans	-62.3	-28.7	173.8	0	0	0	0	0	112.5	E240 K246	E240-A244 WeakPolarHBondContact O-CB 3.49Å; E240-A244 PolarHBondContact O-N 3.07Å; A244-K246 HydrophobicContact CB-CG 4.49Å; A244-K246 PolarHBondContact O-N 3.4Å; A244-K246 VanDerWaalsContact O-N 3.1Å
245	G	96	Very high	97.6	Very high	44 Å²	44	56.6 Å²	56.6	45%	0.454	30%	0.302	S	S	.	.			trans	68.1	8.2	173.5	0	0	0	0	0	115.5	K241 V242 L243	K241-G245 PolarHBondContact O-N 3.05Å; V242-G245 PolarHBondContact O-N 2.87Å; L243-G245 PolarHBondContact O-N 2.92Å
246	K	94.9	Very high	97.6	Very high	137 Å²	137	56 Å²	56	60%	0.596	30%	0.299	S	S	*	.	S	Bend	trans	-77.1	-37.2	-178.3	-63.1	-178.3	-176.9	177.2	0	113.3	E105 A244	E105-K246 VanDerWaalsContact CD-NZ 3.28Å; E105-K246 IonicContact OE2-NZ 2.87Å; E105-K246 PolarHBondContact OE2-NZ 2.75Å; A244-K246 HydrophobicContact CB-CG 4.49Å; A244-K246 PolarHBondContact O-N 3.4Å; A244-K246 VanDerWaalsContact O-N 3.1Å
247	S	96.5	Very high	97.7	Very high	17 Å²	17	56.4 Å²	56.4	12%	0.119	31%	0.31	C	S	.	.	S	Bend	trans	-121.6	105.2	175.9	-60.2	0	0	0	0	109.6	Y194 N195	Y194-S247 WeakPolarHBondContact CE2-O 3.43Å; Y194-S247 PolarHBondContact OH-O 3.33Å; N195-S247 VanDerWaalsContact ND2-CB 3.35Å; N195-S247 WeakPolarHBondContact ND2-CB 3.45Å; N195-S247 PolarHBondContact ND2-OG 3.5Å
248	K	98.1	Very high	97.8	Very high	108 Å²	108	64.4 Å²	64.4	47%	0.47	34%	0.337	S	S	.	.			trans	-81.7	144.1	-177.4	-57.5	179.4	178.8	177.5	0	110.3	E250 D251 Y252	K248-E250 VanDerWaalsContact C-N 3.28Å; K248-E250 HydrophobicContact CB-CG 4.11Å; K248-E250 PolarHBondContact O-N 3.05Å; K248-D251 WeakPolarHBondContact CB-OD2 3.44Å; K248-D251 PolarHBondContact O-N 3.11Å; K248-Y252 VanDerWaalsContact O-CD2 3.3Å; K248-Y252 WeakPolarHBondContact O-CD2 3.47Å
249	I	98.7	Very high	97.8	Very high	4 Å²	4	66 Å²	66	2%	0.021	34%	0.343	C	S	.	.	G	3₁₀ helix	trans	-65	-38.1	-178.4	-67.4	173.4	0	0	0	110.1	Y194 V242 D251 Y252 F253 F256 A278 F281	Y194-I249 HydrophobicContact CD1-CG1 4.16Å; Y194-I249 HydrophobicContact CD2-CB 4.45Å; Y194-I249 HydrophobicContact CD2-CG1 3.85Å; Y194-I249 HydrophobicContact CE1-CD1 4.44Å; Y194-I249 HydrophobicContact CE1-CG1 3.99Å; Y194-I249 HydrophobicContact CE2-CB 4.43Å; Y194-I249 HydrophobicContact CE2-CG1 3.66Å; Y194-I249 HydrophobicContact CG-CG1 4.09Å; V242-I249 HydrophobicContact CG2-CD1 4.22Å; I249-D251 PolarHBondContact O-N 3.23Å; I249-D251 VanDerWaalsContact O-N 3.16Å; I249-Y252 PolarHBondContact O-N 3.05Å; I249-F253 HydrophobicContact CG2-CB 4.17Å; I249-F253 PolarHBondContact O-N 3.19Å; I249-F256 HydrophobicContact CB-CB 4.41Å; I249-F256 HydrophobicContact CB-CD1 3.59Å; I249-F256 HydrophobicContact CB-CE1 3.89Å; I249-F256 HydrophobicContact CB-CG 3.96Å; I249-F256 HydrophobicContact CD1-CE1 4.28Å; I249-F256 HydrophobicContact CD1-CE2 4.41Å; I249-F256 HydrophobicContact CD1-CZ 4.12Å; I249-F256 HydrophobicContact CG2-CB 3.75Å; I249-F256 HydrophobicContact CG2-CD1 3.84Å; I249-F256 HydrophobicContact CG2-CD2 4.17Å; I249-F256 HydrophobicContact CG2-CE1 4.45Å; I249-F256 HydrophobicContact CG2-CG 3.65Å; I249-A278 HydrophobicContact CD1-CB 3.49Å; I249-A278 VanDerWaalsContact CD1-CB 3.49Å; I249-F281 HydrophobicContact CG2-CD1 3.95Å; I249-F281 HydrophobicContact CG2-CE1 3.81Å
250	E	98.4	Very high	97.8	Very high	63 Å²	63	70.1 Å²	70.1	29%	0.294	37%	0.366	S	S	.	.	G	3₁₀ helix	trans	-62.7	-19	-180	59.5	-94.8	-140.8	0	0	114.8	K248 Y252 F253 P254 F256 A257	K248-E250 VanDerWaalsContact C-N 3.28Å; K248-E250 HydrophobicContact CB-CG 4.11Å; K248-E250 PolarHBondContact O-N 3.05Å; E250-Y252 PolarHBondContact O-N 2.99Å; E250-F253 WeakPolarHBondContact CA-O 3.5Å; E250-P254 WeakPolarHBondContact O-CA 3.45Å; E250-F256 HydrophobicContact CB-CB 4.45Å; E250-F256 HydrophobicContact CB-CD1 4.33Å; E250-F256 VanDerWaalsContact OE2-CD1 3.28Å; E250-F256 WeakPolarHBondContact OE2-CD1 3.44Å; E250-A257 HydrophobicContact CB-CB 4.11Å
251	D	98.3	Very high	97.9	Very high	111 Å²	111	67.9 Å²	67.9	59%	0.594	36%	0.36	S	S	*	.	G	3₁₀ helix	trans	-72.3	-22.1	174.2	-59.8	-29.2	0	0	0	111.7	K248 I249	K248-D251 WeakPolarHBondContact CB-OD2 3.44Å; K248-D251 PolarHBondContact O-N 3.11Å; I249-D251 PolarHBondContact O-N 3.23Å; I249-D251 VanDerWaalsContact O-N 3.16Å
252	Y	98.4	Very high	97.8	Very high	88 Å²	88	67 Å²	67	35%	0.345	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.2	-32.5	-179.2	-57.7	-89.2	0	0	0	112.5	Y194 N195 K248 I249 E250	Y194-Y252 HydrophobicContact CD2-CD2 4.11Å; Y194-Y252 HydrophobicContact CE2-CD2 4.4Å; N195-Y252 HydrophobicContact CB-CD2 4.02Å; N195-Y252 HydrophobicContact CB-CE1 3.97Å; N195-Y252 HydrophobicContact CB-CE2 3.43Å; N195-Y252 VanDerWaalsContact CB-CE2 3.43Å; N195-Y252 VanDerWaalsContact CB-CZ 3.4Å; K248-Y252 VanDerWaalsContact O-CD2 3.3Å; K248-Y252 WeakPolarHBondContact O-CD2 3.47Å; I249-Y252 PolarHBondContact O-N 3.05Å; E250-Y252 PolarHBondContact O-N 2.99Å
253	F	98.6	Very high	97.6	Very high	8 Å²	8	75.8 Å²	75.8	4%	0.035	40%	0.398	C	S	.	.			trans	-130.6	81.2	-179.5	-67.3	-89.8	0	0	0	109.1	L207 L211 I249 E250 E255 F256 F281	L207-F253 HydrophobicContact CB-CE2 4.11Å; L207-F253 HydrophobicContact CB-CZ 3.82Å; L207-F253 HydrophobicContact CD2-CD2 4.45Å; L207-F253 HydrophobicContact CD2-CE1 4.46Å; L207-F253 HydrophobicContact CD2-CE2 3.79Å; L207-F253 HydrophobicContact CD2-CZ 3.8Å; L207-F253 HydrophobicContact CG-CE2 4.29Å; L207-F253 HydrophobicContact CG-CZ 3.88Å; L211-F253 HydrophobicContact CD1-CE1 4.23Å; I249-F253 HydrophobicContact CG2-CB 4.17Å; I249-F253 PolarHBondContact O-N 3.19Å; E250-F253 WeakPolarHBondContact CA-O 3.5Å; F253-E255 WeakPolarHBondContact CD1-OE1 3.23Å; F253-E255 PolarHBondContact O-N 2.93Å; F253-F256 VanDerWaalsContact O-CB 3.25Å; F253-F256 WeakPolarHBondContact O-CB 3.31Å; F253-F256 PolarHBondContact O-N 2.96Å; F253-F281 HydrophobicContact CB-CE1 3.83Å; F253-F281 HydrophobicContact CB-CZ 3.83Å; F253-F281 HydrophobicContact CG-CE1 4.23Å; F253-F281 HydrophobicContact CG-CZ 4.44Å
254	P	98.6	Very high	97.4	Very high	85 Å²	85	77.8 Å²	77.8	55%	0.552	41%	0.409	S	S	*	.	G	3₁₀ helix	trans	-56.7	-27.3	-170.2	-27.8	36.3	0	0	0	115.2	E250 F256 A257	E250-P254 WeakPolarHBondContact O-CA 3.45Å; P254-F256 PolarHBondContact O-N 3.49Å; P254-A257 WeakPolarHBondContact O-CB 3.48Å; P254-A257 PolarHBondContact O-N 3.17Å; P254-A257 VanDerWaalsContact O-N 3.15Å
255	E	97.9	Very high	97.3	Very high	66 Å²	66	76 Å²	76	31%	0.308	40%	0.395	S	S	.	.	G	3₁₀ helix	trans	-59.5	-25.8	174.4	63.4	-83.8	-166.5	0	0	113.4	F253 A257 R258 Y259 F281	F253-E255 WeakPolarHBondContact CD1-OE1 3.23Å; F253-E255 PolarHBondContact O-N 2.93Å; E255-A257 PolarHBondContact O-N 2.73Å; E255-R258 PolarHBondContact O-N 3.41Å; E255-Y259 PolarHBondContact O-N 3.39Å; E255-F281 HydrophobicContact CG-CE2 3.6Å; E255-F281 HydrophobicContact CG-CZ 3.65Å
256	F	98.6	Very high	97.3	Very high	13 Å²	13	79 Å²	79	6%	0.057	40%	0.404	C	S	.	.	G	3₁₀ helix	trans	-59.2	-31.3	175.2	-177.7	-113.6	0	0	0	112.1	I249 E250 F253 P254 R258 Y259 R277 A278 F281	I249-F256 HydrophobicContact CB-CB 4.41Å; I249-F256 HydrophobicContact CB-CD1 3.59Å; I249-F256 HydrophobicContact CB-CE1 3.89Å; I249-F256 HydrophobicContact CB-CG 3.96Å; I249-F256 HydrophobicContact CD1-CE1 4.28Å; I249-F256 HydrophobicContact CD1-CE2 4.41Å; I249-F256 HydrophobicContact CD1-CZ 4.12Å; I249-F256 HydrophobicContact CG2-CB 3.75Å; I249-F256 HydrophobicContact CG2-CD1 3.84Å; I249-F256 HydrophobicContact CG2-CD2 4.17Å; I249-F256 HydrophobicContact CG2-CE1 4.45Å; I249-F256 HydrophobicContact CG2-CG 3.65Å; E250-F256 HydrophobicContact CB-CB 4.45Å; E250-F256 HydrophobicContact CB-CD1 4.33Å; E250-F256 VanDerWaalsContact OE2-CD1 3.28Å; E250-F256 WeakPolarHBondContact OE2-CD1 3.44Å; F253-F256 VanDerWaalsContact O-CB 3.25Å; F253-F256 WeakPolarHBondContact O-CB 3.31Å; F253-F256 PolarHBondContact O-N 2.96Å; P254-F256 PolarHBondContact O-N 3.49Å; F256-R258 PolarHBondContact O-N 3.18Å; F256-R258 VanDerWaalsContact O-N 3.14Å; F256-Y259 HydrophobicContact CD2-CD1 4.38Å; F256-Y259 HydrophobicContact CE2-CD1 4.35Å; F256-Y259 WeakPolarHBondContact O-CB 3.36Å; F256-Y259 PolarHBondContact O-N 2.81Å; F256-R277 VanDerWaalsContact CE1-NH1 3.28Å; F256-R277 HydrophobicContact CE2-CG 3.91Å; F256-R277 HydrophobicContact CZ-CG 4.09Å; F256-R277 PolarHBondContact O-NH2 3.38Å; F256-A278 HydrophobicContact CZ-CB 4.31Å; F256-F281 HydrophobicContact CB-CD1 4.24Å; F256-F281 HydrophobicContact CB-CD2 4.34Å; F256-F281 HydrophobicContact CB-CE1 4.05Å; F256-F281 HydrophobicContact CB-CE2 4.15Å; F256-F281 HydrophobicContact CB-CG 4.39Å; F256-F281 HydrophobicContact CB-CZ 4.02Å; F256-F281 HydrophobicContact CD2-CB 3.55Å; F256-F281 AromaticContact CD2-CD1 3.61Å; F256-F281 HydrophobicContact CD2-CD1 3.61Å; F256-F281 AromaticContact CD2-CD2 3.82Å; F256-F281 HydrophobicContact CD2-CD2 3.82Å; F256-F281 HydrophobicContact CD2-CE1 4.29Å; F256-F281 HydrophobicContact CD2-CE2 4.46Å; F256-F281 AromaticContact CD2-CG 3.35Å; F256-F281 HydrophobicContact CD2-CG 3.35Å; F256-F281 HydrophobicContact CE2-CB 3.69Å; F256-F281 HydrophobicContact CE2-CD1 4.32Å; F256-F281 HydrophobicContact CE2-CG 4.02Å; F256-F281 HydrophobicContact CG-CD1 4.24Å; F256-F281 HydrophobicContact CG-CG 4.29Å
257	A	98.3	Very high	97.3	Very high	63 Å²	63	75.8 Å²	75.8	52%	0.521	40%	0.398	S	S	.	.	G	3₁₀ helix	trans	-58.7	-29.9	177.6	0	0	0	0	0	112.6	E250 P254 E255 R277	E250-A257 HydrophobicContact CB-CB 4.11Å; P254-A257 WeakPolarHBondContact O-CB 3.48Å; P254-A257 PolarHBondContact O-N 3.17Å; P254-A257 VanDerWaalsContact O-N 3.15Å; E255-A257 PolarHBondContact O-N 2.73Å; A257-R277 PolarHBondContact O-NH2 2.84Å
258	R	98.1	Very high	97.1	Very high	212 Å²	212	80.6 Å²	80.6	80%	0.8	42%	0.418	S	S	*	.	G	3₁₀ helix	trans	-101.1	-3.6	178.9	-62.2	-176.9	-65.1	-140.8	-2.4	113.5	E255 F256	E255-R258 PolarHBondContact O-N 3.41Å; F256-R258 PolarHBondContact O-N 3.18Å; F256-R258 VanDerWaalsContact O-N 3.14Å
259	Y	98.5	Very high	96.9	Very high	33 Å²	33	81.6 Å²	81.6	13%	0.129	44%	0.436	C	S	.	.			trans	-70.4	136.2	-179.3	-177.9	-99.9	0	0	0	111	E255 F256 P262 R277 Y280 F281 D284	E255-Y259 PolarHBondContact O-N 3.39Å; F256-Y259 HydrophobicContact CD2-CD1 4.38Å; F256-Y259 HydrophobicContact CE2-CD1 4.35Å; F256-Y259 WeakPolarHBondContact O-CB 3.36Å; F256-Y259 PolarHBondContact O-N 2.81Å; Y259-P262 WeakPolarHBondContact OH-CD 3.4Å; Y259-P262 WeakPolarHBondContact OH-CG 3.23Å; Y259-R277 HydrophobicContact CD1-CG 3.89Å; Y259-R277 HydrophobicContact CE1-CG 4.26Å; Y259-R277 WeakPolarHBondContact CE1-O 3.4Å; Y259-R277 VanDerWaalsContact O-CZ 3.31Å; Y259-R277 PolarHBondContact O-NE 2.9Å; Y259-R277 PolarHBondContact O-NH2 2.7Å; Y259-Y280 WeakPolarHBondContact OH-CB 3.47Å; Y259-Y280 PolarHBondContact OH-O 2.93Å; Y259-F281 HydrophobicContact CD1-CB 3.7Å; Y259-F281 HydrophobicContact CD1-CD2 4.27Å; Y259-F281 HydrophobicContact CD1-CG 4.44Å; Y259-F281 HydrophobicContact CD2-CB 4.42Å; Y259-F281 AromaticContact CD2-CD2 3.78Å; Y259-F281 HydrophobicContact CD2-CD2 3.78Å; Y259-F281 HydrophobicContact CE1-CB 3.72Å; Y259-F281 HydrophobicContact CE2-CB 4.43Å; Y259-F281 HydrophobicContact CE2-CD2 4.33Å; Y259-F281 HydrophobicContact CG-CB 4.05Å; Y259-F281 AromaticContact CG-CD2 3.73Å; Y259-F281 HydrophobicContact CG-CD2 3.73Å; Y259-F281 HydrophobicContact CG-CG 4.34Å; Y259-F281 PolarHBondContact OH-N 3.49Å; Y259-D284 HydrophobicContact CE2-CB 4.24Å; Y259-D284 WeakPolarHBondContact CE2-OD2 3.31Å; Y259-D284 PolarHBondContact OH-OD2 2.96Å
260	T	98	Very high	96.6	Very high	113 Å²	113	85.6 Å²	85.6	69%	0.693	48%	0.478	S	S	*	.			trans	-116.2	139.6	174.7	49.5	0	0	0	0	108.5
261	T	98	Very high	96.6	Very high	58 Å²	58	85 Å²	85	36%	0.356	48%	0.475	S	S	.	.			trans	-61.6	129.3	178.2	-53	0	0	0	0	109.1	A265 T276 R277	T261-A265 HydrophobicContact CG2-CB 3.71Å; T261-T276 HydrophobicContact CG2-CG2 4.03Å; T261-R277 WeakPolarHBondContact OG1-CB 3.29Å
262	P	96.3	Very high	96.6	Very high	30 Å²	30	81.9 Å²	81.9	20%	0.195	46%	0.459	C	S	.	.			trans	-60.7	148.4	178.7	-26.1	35.7	0	0	0	112.3	Y259 D264 A265 Y280	Y259-P262 WeakPolarHBondContact OH-CD 3.4Å; Y259-P262 WeakPolarHBondContact OH-CG 3.23Å; P262-D264 WeakPolarHBondContact CB-OD1 3.31Å; P262-D264 PolarHBondContact O-N 3.24Å; P262-A265 WeakPolarHBondContact O-CB 3.27Å; P262-A265 PolarHBondContact O-N 3.4Å; P262-A265 VanDerWaalsContact O-N 3.15Å; P262-Y280 HydrophobicContact CG-CD1 4.32Å
263	E	94.5	Very high	96.5	Very high	208 Å²	208	82.4 Å²	82.4	97%	0.972	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-26.5	177.8	-65.6	-174	172.1	0	0	112.8	A265	E263-A265 PolarHBondContact O-N 2.81Å
264	D	92.9	Very high	96.5	Very high	114 Å²	114	88.4 Å²	88.4	61%	0.61	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	5.9	176.2	71.8	-34.1	0	0	0	113	P262 T266	P262-D264 WeakPolarHBondContact CB-OD1 3.31Å; P262-D264 PolarHBondContact O-N 3.24Å; D264-T266 PolarHBondContact O-N 3.43Å
265	A	96.2	Very high	96.5	Very high	20 Å²	20	84.7 Å²	84.7	17%	0.165	47%	0.471	C	S	.	.			trans	-65.4	127.5	176.7	0	0	0	0	0	111.3	T261 P262 E263 P267 T276 Y280	T261-A265 HydrophobicContact CG2-CB 3.71Å; P262-A265 WeakPolarHBondContact O-CB 3.27Å; P262-A265 PolarHBondContact O-N 3.4Å; P262-A265 VanDerWaalsContact O-N 3.15Å; E263-A265 PolarHBondContact O-N 2.81Å; A265-P267 WeakPolarHBondContact O-CD 3.13Å; A265-T276 HydrophobicContact CB-CG2 4.44Å; A265-Y280 VanDerWaalsContact CA-CE1 3.48Å; A265-Y280 HydrophobicContact CB-CD1 3.83Å; A265-Y280 HydrophobicContact CB-CD2 4.32Å; A265-Y280 HydrophobicContact CB-CE1 3.51Å; A265-Y280 HydrophobicContact CB-CE2 4.01Å; A265-Y280 HydrophobicContact CB-CG 4.25Å
266	T	95.1	Very high	96.6	Very high	107 Å²	107	82 Å²	82	66%	0.656	46%	0.459	S	S	*	.			trans	-104.4	88.9	173	51.3	0	0	0	0	109.4	D264 Y280	D264-T266 PolarHBondContact O-N 3.43Å; T266-Y280 PolarHBondContact N-OH 2.86Å; T266-Y280 PolarHBondContact O-OH 2.82Å; T266-Y280 PolarHBondContact OG1-OH 2.76Å
267	P	94.7	Very high	96.6	Very high	71 Å²	71	84.4 Å²	84.4	46%	0.461	47%	0.468	S	S	.	.	P	Polyproline II helix	trans	-69	148.8	173	28.4	-33.8	0	0	0	110.8	A265 E271 T276	A265-P267 WeakPolarHBondContact O-CD 3.13Å; P267-E271 HydrophobicContact CB-CB 4.42Å; P267-T276 HydrophobicContact CB-CG2 3.96Å
268	E	92.6	Very high	96.6	Very high	118 Å²	118	81.4 Å²	81.4	55%	0.551	44%	0.443	S	S	*	.	P	Polyproline II helix	trans	-68.4	151.5	171.8	-67.3	-68	166.3	0	0	110.4	G270 E271	E268-G270 PolarHBondContact O-N 2.82Å; E268-G270 VanDerWaalsContact O-N 3.16Å; E268-E271 HydrophobicContact CB-CB 4.27Å; E268-E271 VanDerWaalsContact O-CB 3.23Å; E268-E271 WeakPolarHBondContact O-CB 3.39Å; E268-E271 PolarHBondContact O-N 2.9Å
269	P	93.4	Very high	96.6	Very high	128 Å²	128	71.6 Å²	71.6	83%	0.831	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	122.1	176.3	-25	34.4	0	0	0	112	E271	P269-E271 VanDerWaalsContact C-N 3.34Å
270	G	94.3	Very high	96.6	Very high	89 Å²	89	70.3 Å²	70.3	92%	0.918	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.6	5.7	-179.4	0	0	0	0	0	115.1	E268	E268-G270 PolarHBondContact O-N 2.82Å; E268-G270 VanDerWaalsContact O-N 3.16Å
271	E	96.6	Very high	96.7	Very high	49 Å²	49	65 Å²	65	23%	0.229	37%	0.368	C	S	.	.			trans	-68.7	134.9	175.4	-171.5	173	92	0	0	111.8	P267 E268 P269 V275 T276 K279	P267-E271 HydrophobicContact CB-CB 4.42Å; E268-E271 HydrophobicContact CB-CB 4.27Å; E268-E271 VanDerWaalsContact O-CB 3.23Å; E268-E271 WeakPolarHBondContact O-CB 3.39Å; E268-E271 PolarHBondContact O-N 2.9Å; P269-E271 VanDerWaalsContact C-N 3.34Å; E271-V275 HydrophobicContact CG-CB 4.14Å; E271-V275 HydrophobicContact CG-CG1 4.19Å; E271-T276 WeakPolarHBondContact OE1-CA 3.45Å; E271-T276 WeakPolarHBondContact OE1-CB 3.4Å; E271-T276 PolarHBondContact OE1-OG1 2.84Å; E271-K279 WeakPolarHBondContact OE1-CE 3.39Å; E271-K279 IonicContact OE1-NZ 2.95Å; E271-K279 PolarHBondContact OE1-NZ 3.03Å; E271-K279 IonicContact OE2-NZ 3.89Å; E271-K279 PolarHBondContact OE2-NZ 2.91Å
272	D	98.3	Very high	96.7	Very high	47 Å²	47	62.3 Å²	62.3	25%	0.251	35%	0.352	S	S	.	.			trans	-69.3	132.1	176	-172.2	-61.7	0	0	0	110.5	L243 R274 V275 T276	L243-D272 HydrophobicContact CD2-CB 3.78Å; L243-D272 WeakPolarHBondContact CD2-OD2 3.33Å; D272-R274 PolarHBondContact O-N 3.17Å; D272-R274 WeakPolarHBondContact OD1-CB 3.3Å; D272-R274 VanDerWaalsContact OD1-CG 3.3Å; D272-R274 WeakPolarHBondContact OD1-CG 3.48Å; D272-R274 IonicContact OD1-CZ 2.76Å; D272-R274 PolarHBondContact OD1-N 3.02Å; D272-R274 IonicContact OD1-NE 3.4Å; D272-R274 PolarHBondContact OD1-NE 2.88Å; D272-R274 IonicContact OD1-NH2 3.21Å; D272-R274 IonicContact OD2-CZ 2.88Å; D272-R274 IonicContact OD2-NE 2.62Å; D272-R274 PolarHBondContact OD2-NE 3.23Å; D272-R274 IonicContact OD2-NH2 2.7Å; D272-R274 PolarHBondContact OD2-NH2 3.08Å; D272-V275 HydrophobicContact CB-CG2 4.17Å; D272-V275 WeakPolarHBondContact O-CA 3.46Å; D272-V275 WeakPolarHBondContact O-CB 3.44Å; D272-V275 PolarHBondContact O-N 3.02Å; D272-T276 PolarHBondContact O-N 3.05Å; D272-T276 VanDerWaalsContact O-N 3.11Å; D272-T276 PolarHBondContact O-OG1 3.45Å
273	P	98.3	Very high	96.8	Very high	98 Å²	98	62.3 Å²	62.3	64%	0.636	35%	0.348	S	S	*	.	H	α-helix	trans	-54.7	-27.5	-179.5	-28	35	0	0	0	114.7	R277	P273-R277 WeakPolarHBondContact O-CB 3.43Å; P273-R277 PolarHBondContact O-N 3.31Å
274	R	98.4	Very high	97	Very high	135 Å²	135	54 Å²	54	51%	0.509	31%	0.31	S	S	.	.	H	α-helix	trans	-65.3	-40.3	174.9	-63.4	173.4	-72.7	171.2	-5.7	111.3	V242 L243 D272 A278	V242-R274 HydrophobicContact CG1-CB 4.02Å; L243-R274 VanDerWaalsContact CD2-NH2 3.32Å; D272-R274 PolarHBondContact O-N 3.17Å; D272-R274 WeakPolarHBondContact OD1-CB 3.3Å; D272-R274 VanDerWaalsContact OD1-CG 3.3Å; D272-R274 WeakPolarHBondContact OD1-CG 3.48Å; D272-R274 IonicContact OD1-CZ 2.76Å; D272-R274 PolarHBondContact OD1-N 3.02Å; D272-R274 IonicContact OD1-NE 3.4Å; D272-R274 PolarHBondContact OD1-NE 2.88Å; D272-R274 IonicContact OD1-NH2 3.21Å; D272-R274 IonicContact OD2-CZ 2.88Å; D272-R274 IonicContact OD2-NE 2.62Å; D272-R274 PolarHBondContact OD2-NE 3.23Å; D272-R274 IonicContact OD2-NH2 2.7Å; D272-R274 PolarHBondContact OD2-NH2 3.08Å; R274-A278 WeakPolarHBondContact O-CB 3.5Å; R274-A278 PolarHBondContact O-N 3.41Å
275	V	98.6	Very high	97.3	Very high	6 Å²	6	49.1 Å²	49.1	4%	0.036	28%	0.283	C	S	.	.	H	α-helix	trans	-69.9	-44.6	177.2	179.2	0	0	0	0	110	A239 V242 L243 E271 D272 R277 A278 K279	A239-V275 HydrophobicContact CB-CG1 3.78Å; A239-V275 HydrophobicContact CB-CG2 4.01Å; V242-V275 HydrophobicContact CG1-CG2 4.32Å; L243-V275 HydrophobicContact CD1-CG2 4.12Å; L243-V275 HydrophobicContact CD2-CG2 3.91Å; L243-V275 HydrophobicContact CG-CG2 3.79Å; E271-V275 HydrophobicContact CG-CB 4.14Å; E271-V275 HydrophobicContact CG-CG1 4.19Å; D272-V275 HydrophobicContact CB-CG2 4.17Å; D272-V275 WeakPolarHBondContact O-CA 3.46Å; D272-V275 WeakPolarHBondContact O-CB 3.44Å; D272-V275 PolarHBondContact O-N 3.02Å; V275-R277 PolarHBondContact O-N 3.08Å; V275-A278 PolarHBondContact O-N 3.16Å; V275-K279 PolarHBondContact O-N 2.89Å
276	T	98.6	Very high	97.4	Very high	9 Å²	9	48.1 Å²	48.1	6%	0.055	28%	0.276	C	S	.	.	H	α-helix	trans	-56.2	-51.4	174.6	-49.3	0	0	0	0	110.6	T261 A265 P267 E271 D272 A278 K279 Y280	T261-T276 HydrophobicContact CG2-CG2 4.03Å; A265-T276 HydrophobicContact CB-CG2 4.44Å; P267-T276 HydrophobicContact CB-CG2 3.96Å; E271-T276 WeakPolarHBondContact OE1-CA 3.45Å; E271-T276 WeakPolarHBondContact OE1-CB 3.4Å; E271-T276 PolarHBondContact OE1-OG1 2.84Å; D272-T276 PolarHBondContact O-N 3.05Å; D272-T276 VanDerWaalsContact O-N 3.11Å; D272-T276 PolarHBondContact O-OG1 3.45Å; T276-A278 VanDerWaalsContact C-N 3.32Å; T276-A278 PolarHBondContact O-N 3.37Å; T276-K279 WeakPolarHBondContact O-CG 3.3Å; T276-K279 PolarHBondContact O-N 3.48Å; T276-Y280 HydrophobicContact CG2-CD2 3.76Å; T276-Y280 HydrophobicContact CG2-CE2 3.87Å; T276-Y280 WeakPolarHBondContact O-CB 3.36Å; T276-Y280 WeakPolarHBondContact O-CD2 3.19Å; T276-Y280 PolarHBondContact O-N 3.26Å
277	R	98.7	Very high	97.5	Very high	65 Å²	65	44.8 Å²	44.8	25%	0.245	25%	0.254	C	S	.	.	H	α-helix	trans	-57.1	-44.9	178	-173	179	174.6	-116.1	5.2	112.1	F256 A257 Y259 T261 P273 V275 F281	F256-R277 VanDerWaalsContact CE1-NH1 3.28Å; F256-R277 HydrophobicContact CE2-CG 3.91Å; F256-R277 HydrophobicContact CZ-CG 4.09Å; F256-R277 PolarHBondContact O-NH2 3.38Å; A257-R277 PolarHBondContact O-NH2 2.84Å; Y259-R277 HydrophobicContact CD1-CG 3.89Å; Y259-R277 HydrophobicContact CE1-CG 4.26Å; Y259-R277 WeakPolarHBondContact CE1-O 3.4Å; Y259-R277 VanDerWaalsContact O-CZ 3.31Å; Y259-R277 PolarHBondContact O-NE 2.9Å; Y259-R277 PolarHBondContact O-NH2 2.7Å; T261-R277 WeakPolarHBondContact OG1-CB 3.29Å; P273-R277 WeakPolarHBondContact O-CB 3.43Å; P273-R277 PolarHBondContact O-N 3.31Å; V275-R277 PolarHBondContact O-N 3.08Å; R277-F281 WeakPolarHBondContact O-CB 3.24Å; R277-F281 PolarHBondContact O-N 3.43Å
278	A	98.8	Very high	97.6	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-63.4	-50.4	179.7	0	0	0	0	0	113.1	V242 I249 F256 R274 V275 T276 Y280 F281 I282	V242-A278 HydrophobicContact CG1-CB 4.25Å; V242-A278 HydrophobicContact CG2-CB 3.66Å; I249-A278 HydrophobicContact CD1-CB 3.49Å; I249-A278 VanDerWaalsContact CD1-CB 3.49Å; F256-A278 HydrophobicContact CZ-CB 4.31Å; R274-A278 WeakPolarHBondContact O-CB 3.5Å; R274-A278 PolarHBondContact O-N 3.41Å; V275-A278 PolarHBondContact O-N 3.16Å; T276-A278 VanDerWaalsContact C-N 3.32Å; T276-A278 PolarHBondContact O-N 3.37Å; A278-Y280 PolarHBondContact O-N 3.4Å; A278-F281 WeakPolarHBondContact O-CB 3.43Å; A278-F281 PolarHBondContact O-N 2.8Å; A278-I282 WeakPolarHBondContact O-CG1 3.5Å; A278-I282 PolarHBondContact O-N 2.87Å
279	K	98.5	Very high	97.8	Very high	5 Å²	5	43.6 Å²	43.6	2%	0.022	24%	0.236	C	C	.	.	H	α-helix	trans	-67.3	-37.7	-177.7	76	-178	-169.9	-176.3	0	111.9	Q235 L238 E271 V275 T276 I282 R283 F304	Q235-K279 VanDerWaalsContact OE1-CB 3.31Å; L238-K279 HydrophobicContact CD2-CB 3.8Å; E271-K279 WeakPolarHBondContact OE1-CE 3.39Å; E271-K279 IonicContact OE1-NZ 2.95Å; E271-K279 PolarHBondContact OE1-NZ 3.03Å; E271-K279 IonicContact OE2-NZ 3.89Å; E271-K279 PolarHBondContact OE2-NZ 2.91Å; V275-K279 PolarHBondContact O-N 2.89Å; T276-K279 WeakPolarHBondContact O-CG 3.3Å; T276-K279 PolarHBondContact O-N 3.48Å; K279-I282 PolarHBondContact O-N 3.05Å; K279-R283 PolarHBondContact O-N 3.04Å; K279-F304 HydrophobicContact CB-CD1 4.05Å; K279-F304 HydrophobicContact CB-CE1 3.68Å; K279-F304 HydrophobicContact CB-CZ 4.32Å; K279-F304 HydrophobicContact CD-CD1 3.98Å; K279-F304 HydrophobicContact CD-CD2 4.25Å; K279-F304 HydrophobicContact CD-CE1 3.99Å; K279-F304 HydrophobicContact CD-CE2 4.26Å; K279-F304 HydrophobicContact CD-CG 4.11Å; K279-F304 HydrophobicContact CD-CZ 4.13Å; K279-F304 HydrophobicContact CG-CD1 4.09Å; K279-F304 HydrophobicContact CG-CE1 3.63Å; K279-F304 HydrophobicContact CG-CE2 4.37Å; K279-F304 HydrophobicContact CG-CZ 3.79Å; K279-F304 WeakPolarHBondContact O-CE1 3.33Å
280	Y	98.8	Very high	97.8	Very high	6 Å²	6	38 Å²	38	2%	0.024	20%	0.2	C	C	.	.	H	α-helix	trans	-70.8	-36	177.5	-84.2	-101.1	0	0	0	112.4	Y259 P262 A265 T266 T276 A278 I282 R283 D284 F304	Y259-Y280 WeakPolarHBondContact OH-CB 3.47Å; Y259-Y280 PolarHBondContact OH-O 2.93Å; P262-Y280 HydrophobicContact CG-CD1 4.32Å; A265-Y280 VanDerWaalsContact CA-CE1 3.48Å; A265-Y280 HydrophobicContact CB-CD1 3.83Å; A265-Y280 HydrophobicContact CB-CD2 4.32Å; A265-Y280 HydrophobicContact CB-CE1 3.51Å; A265-Y280 HydrophobicContact CB-CE2 4.01Å; A265-Y280 HydrophobicContact CB-CG 4.25Å; T266-Y280 PolarHBondContact N-OH 2.86Å; T266-Y280 PolarHBondContact O-OH 2.82Å; T266-Y280 PolarHBondContact OG1-OH 2.76Å; T276-Y280 HydrophobicContact CG2-CD2 3.76Å; T276-Y280 HydrophobicContact CG2-CE2 3.87Å; T276-Y280 WeakPolarHBondContact O-CB 3.36Å; T276-Y280 WeakPolarHBondContact O-CD2 3.19Å; T276-Y280 PolarHBondContact O-N 3.26Å; A278-Y280 PolarHBondContact O-N 3.4Å; Y280-I282 PolarHBondContact O-N 3.33Å; Y280-R283 WeakPolarHBondContact O-CB 3.33Å; Y280-R283 PolarHBondContact O-N 2.79Å; Y280-D284 WeakPolarHBondContact O-CB 3.43Å; Y280-D284 PolarHBondContact O-N 2.65Å; Y280-F304 HydrophobicContact CD1-CZ 4.47Å; Y280-F304 HydrophobicContact CD2-CE2 4.13Å; Y280-F304 AromaticContact CD2-CZ 3.85Å; Y280-F304 HydrophobicContact CD2-CZ 3.85Å; Y280-F304 HydrophobicContact CE1-CE2 4.32Å; Y280-F304 HydrophobicContact CE1-CZ 4.44Å; Y280-F304 AromaticContact CE2-CE2 3.64Å; Y280-F304 HydrophobicContact CE2-CE2 3.64Å; Y280-F304 AromaticContact CE2-CZ 3.86Å; Y280-F304 HydrophobicContact CE2-CZ 3.86Å; Y280-F304 HydrophobicContact CG-CZ 4.16Å; Y280-F304 AromaticContact CZ-CE2 3.71Å
281	F	98.9	Very high	97.7	Very high	3 Å²	3	38.9 Å²	38.9	1%	0.013	19%	0.188	C	C	.	.	H	α-helix	trans	-55.7	-52	170	169.2	-107.8	0	0	0	111.4	I249 F253 E255 F256 Y259 R277 A278 R283 D284 E285	I249-F281 HydrophobicContact CG2-CD1 3.95Å; I249-F281 HydrophobicContact CG2-CE1 3.81Å; F253-F281 HydrophobicContact CB-CE1 3.83Å; F253-F281 HydrophobicContact CB-CZ 3.83Å; F253-F281 HydrophobicContact CG-CE1 4.23Å; F253-F281 HydrophobicContact CG-CZ 4.44Å; E255-F281 HydrophobicContact CG-CE2 3.6Å; E255-F281 HydrophobicContact CG-CZ 3.65Å; F256-F281 HydrophobicContact CB-CD1 4.24Å; F256-F281 HydrophobicContact CB-CD2 4.34Å; F256-F281 HydrophobicContact CB-CE1 4.05Å; F256-F281 HydrophobicContact CB-CE2 4.15Å; F256-F281 HydrophobicContact CB-CG 4.39Å; F256-F281 HydrophobicContact CB-CZ 4.02Å; F256-F281 HydrophobicContact CD2-CB 3.55Å; F256-F281 AromaticContact CD2-CD1 3.61Å; F256-F281 HydrophobicContact CD2-CD1 3.61Å; F256-F281 AromaticContact CD2-CD2 3.82Å; F256-F281 HydrophobicContact CD2-CD2 3.82Å; F256-F281 HydrophobicContact CD2-CE1 4.29Å; F256-F281 HydrophobicContact CD2-CE2 4.46Å; F256-F281 AromaticContact CD2-CG 3.35Å; F256-F281 HydrophobicContact CD2-CG 3.35Å; F256-F281 HydrophobicContact CE2-CB 3.69Å; F256-F281 HydrophobicContact CE2-CD1 4.32Å; F256-F281 HydrophobicContact CE2-CG 4.02Å; F256-F281 HydrophobicContact CG-CD1 4.24Å; F256-F281 HydrophobicContact CG-CG 4.29Å; Y259-F281 HydrophobicContact CD1-CB 3.7Å; Y259-F281 HydrophobicContact CD1-CD2 4.27Å; Y259-F281 HydrophobicContact CD1-CG 4.44Å; Y259-F281 HydrophobicContact CD2-CB 4.42Å; Y259-F281 AromaticContact CD2-CD2 3.78Å; Y259-F281 HydrophobicContact CD2-CD2 3.78Å; Y259-F281 HydrophobicContact CE1-CB 3.72Å; Y259-F281 HydrophobicContact CE2-CB 4.43Å; Y259-F281 HydrophobicContact CE2-CD2 4.33Å; Y259-F281 HydrophobicContact CG-CB 4.05Å; Y259-F281 AromaticContact CG-CD2 3.73Å; Y259-F281 HydrophobicContact CG-CD2 3.73Å; Y259-F281 HydrophobicContact CG-CG 4.34Å; Y259-F281 PolarHBondContact OH-N 3.49Å; R277-F281 WeakPolarHBondContact O-CB 3.24Å; R277-F281 PolarHBondContact O-N 3.43Å; A278-F281 WeakPolarHBondContact O-CB 3.43Å; A278-F281 PolarHBondContact O-N 2.8Å; F281-R283 VanDerWaalsContact C-N 3.3Å; F281-R283 PolarHBondContact O-N 2.9Å; F281-D284 PolarHBondContact O-N 3.48Å; F281-D284 VanDerWaalsContact O-N 3.09Å; F281-E285 HydrophobicContact CE1-CG 4.12Å; F281-E285 HydrophobicContact CE2-CG 4.17Å; F281-E285 WeakPolarHBondContact CE2-OE1 2.95Å; F281-E285 HydrophobicContact CZ-CG 3.84Å; F281-E285 VanDerWaalsContact CZ-OE1 3.25Å; F281-E285 WeakPolarHBondContact CZ-OE1 3.24Å; F281-E285 PolarHBondContact O-N 3.2Å
282	I	98.8	Very high	97.4	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.005	21%	0.211	C	C	.	.	H	α-helix	trans	-60.2	-43.3	179.1	-62.6	171.4	0	0	0	110.2	S191 L207 L232 L238 A278 K279 Y280 D284 E285 F286	S191-I282 WeakPolarHBondContact O-CD1 3.39Å; L207-I282 HydrophobicContact CD1-CG2 4.03Å; L207-I282 HydrophobicContact CD2-CD1 4.35Å; L207-I282 HydrophobicContact CD2-CG1 4.11Å; L207-I282 HydrophobicContact CD2-CG2 4.28Å; L232-I282 HydrophobicContact CD2-CG2 4.07Å; L238-I282 HydrophobicContact CD1-CD1 4Å; L238-I282 HydrophobicContact CD2-CD1 4.03Å; A278-I282 WeakPolarHBondContact O-CG1 3.5Å; A278-I282 PolarHBondContact O-N 2.87Å; K279-I282 PolarHBondContact O-N 3.05Å; Y280-I282 PolarHBondContact O-N 3.33Å; I282-D284 VanDerWaalsContact C-N 3.29Å; I282-D284 PolarHBondContact O-N 3Å; I282-E285 WeakPolarHBondContact O-CB 3.25Å; I282-E285 PolarHBondContact O-N 2.84Å; I282-F286 HydrophobicContact CG2-CD2 4.42Å; I282-F286 HydrophobicContact CG2-CE2 4.07Å; I282-F286 VanDerWaalsContact O-CD2 3.26Å; I282-F286 WeakPolarHBondContact O-CD2 3.26Å
283	R	98.6	Very high	96.3	Very high	29 Å²	29	41.2 Å²	41.2	11%	0.109	22%	0.219	C	C	.	.	H	α-helix	trans	-52.8	-48.9	174.1	-177	-163	70.6	166.8	2	111.3	L232 K279 Y280 F281 E285 F286 L287 P302 F304	L232-R283 HydrophobicContact CD1-CB 3.49Å; L232-R283 VanDerWaalsContact CD1-CB 3.49Å; L232-R283 HydrophobicContact CD1-CG 3.83Å; K279-R283 PolarHBondContact O-N 3.04Å; Y280-R283 WeakPolarHBondContact O-CB 3.33Å; Y280-R283 PolarHBondContact O-N 2.79Å; F281-R283 VanDerWaalsContact C-N 3.3Å; F281-R283 PolarHBondContact O-N 2.9Å; R283-E285 VanDerWaalsContact C-N 3.33Å; R283-E285 PolarHBondContact O-N 3.26Å; R283-F286 PolarHBondContact O-N 3.28Å; R283-F286 VanDerWaalsContact O-N 3.16Å; R283-L287 HydrophobicContact CG-CD1 3.93Å; R283-L287 HydrophobicContact CG-CG 4.25Å; R283-L287 WeakPolarHBondContact O-CG 3.42Å; R283-L287 PolarHBondContact O-N 3.2Å; R283-P302 HydrophobicContact CG-CB 3.91Å; R283-P302 HydrophobicContact CG-CG 4.25Å; R283-F304 HydrophobicContact CB-CE1 4.18Å; R283-F304 HydrophobicContact CB-CZ 4.09Å; R283-F304 HydrophobicContact CG-CZ 4.42Å
284	D	98.5	Very high	94.5	Very high	35 Å²	35	39 Å²	39	19%	0.187	21%	0.213	C	C	.	.	H	α-helix	trans	-72	-26.3	-173.2	-66.8	-7.4	0	0	0	112.7	Y259 Y280 F281 I282 F286 L287 R288	Y259-D284 HydrophobicContact CE2-CB 4.24Å; Y259-D284 WeakPolarHBondContact CE2-OD2 3.31Å; Y259-D284 PolarHBondContact OH-OD2 2.96Å; Y280-D284 WeakPolarHBondContact O-CB 3.43Å; Y280-D284 PolarHBondContact O-N 2.65Å; F281-D284 PolarHBondContact O-N 3.48Å; F281-D284 VanDerWaalsContact O-N 3.09Å; I282-D284 VanDerWaalsContact C-N 3.29Å; I282-D284 PolarHBondContact O-N 3Å; D284-F286 VanDerWaalsContact C-N 3.31Å; D284-F286 PolarHBondContact O-N 2.81Å; D284-L287 PolarHBondContact O-N 3.15Å; D284-R288 WeakPolarHBondContact O-CB 3.4Å; D284-R288 PolarHBondContact O-N 2.85Å
285	E	98.6	Very high	93.2	Very high	10 Å²	10	36.9 Å²	36.9	5%	0.047	21%	0.212	C	C	.	.	H	α-helix	trans	-57.8	-43.5	168.6	-69.2	-58.4	127.3	0	0	111.6	L211 F281 I282 R283 R288	L211-E285 HydrophobicContact CD1-CB 4.19Å; L211-E285 HydrophobicContact CD2-CB 3.7Å; F281-E285 HydrophobicContact CE1-CG 4.12Å; F281-E285 HydrophobicContact CE2-CG 4.17Å; F281-E285 WeakPolarHBondContact CE2-OE1 2.95Å; F281-E285 HydrophobicContact CZ-CG 3.84Å; F281-E285 VanDerWaalsContact CZ-OE1 3.25Å; F281-E285 WeakPolarHBondContact CZ-OE1 3.24Å; F281-E285 PolarHBondContact O-N 3.2Å; I282-E285 WeakPolarHBondContact O-CB 3.25Å; I282-E285 PolarHBondContact O-N 2.84Å; R283-E285 VanDerWaalsContact C-N 3.33Å; R283-E285 PolarHBondContact O-N 3.26Å; E285-R288 IonicContact OE1-CZ 2.76Å; E285-R288 IonicContact OE1-NH1 3.05Å; E285-R288 IonicContact OE1-NH2 2.77Å; E285-R288 PolarHBondContact OE1-NH2 2.84Å; E285-R288 IonicContact OE2-CZ 3.3Å; E285-R288 VanDerWaalsContact OE2-CZ 3.25Å; E285-R288 IonicContact OE2-NH1 3.75Å; E285-R288 PolarHBondContact OE2-NH1 2.91Å; E285-R288 IonicContact OE2-NH2 3.63Å; E285-R288 PolarHBondContact OE2-NH2 2.79Å
286	F	98.4	Very high	92.2	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-74.9	-40.4	176.8	-71.7	-89.3	0	0	0	112.2	F187 V189 L207 A210 L211 F214 L230 L232 I282 R283 D284 R288 I289 S290	F187-F286 HydrophobicContact CE1-CE1 4.13Å; V189-F286 HydrophobicContact CB-CE2 4.44Å; V189-F286 HydrophobicContact CB-CZ 4.19Å; V189-F286 HydrophobicContact CG1-CE2 3.82Å; V189-F286 HydrophobicContact CG1-CZ 3.66Å; V189-F286 HydrophobicContact CG2-CD1 4.44Å; V189-F286 HydrophobicContact CG2-CE1 3.68Å; V189-F286 HydrophobicContact CG2-CE2 3.91Å; V189-F286 HydrophobicContact CG2-CZ 3.4Å; L207-F286 HydrophobicContact CD1-CE2 3.93Å; L207-F286 HydrophobicContact CD1-CZ 4.12Å; A210-F286 HydrophobicContact CB-CZ 4.06Å; L211-F286 HydrophobicContact CD2-CD1 3.84Å; L211-F286 HydrophobicContact CD2-CD2 3.81Å; L211-F286 HydrophobicContact CD2-CE1 3.78Å; L211-F286 HydrophobicContact CD2-CE2 3.73Å; L211-F286 HydrophobicContact CD2-CG 3.83Å; L211-F286 HydrophobicContact CD2-CZ 3.69Å; L211-F286 HydrophobicContact CG-CE1 4.29Å; L211-F286 HydrophobicContact CG-CE2 4.28Å; L211-F286 HydrophobicContact CG-CZ 3.98Å; F214-F286 HydrophobicContact CB-CD1 3.74Å; F214-F286 HydrophobicContact CB-CE1 3.71Å; F214-F286 HydrophobicContact CD1-CB 4.49Å; F214-F286 AromaticContact CD1-CD1 3.71Å; F214-F286 HydrophobicContact CD1-CD1 3.71Å; F214-F286 HydrophobicContact CD2-CD1 4Å; F214-F286 HydrophobicContact CE1-CB 4.35Å; F214-F286 HydrophobicContact CE1-CD1 4.3Å; F214-F286 WeakPolarHBondContact CE1-O 3.34Å; F214-F286 AromaticContact CG-CD1 3.55Å; F214-F286 HydrophobicContact CG-CD1 3.55Å; F214-F286 HydrophobicContact CG-CE1 4.04Å; L230-F286 HydrophobicContact CD1-CD1 4.11Å; L230-F286 HydrophobicContact CD1-CG 4.33Å; L230-F286 HydrophobicContact CD2-CB 3.39Å; L230-F286 HydrophobicContact CD2-CD1 4.26Å; L230-F286 HydrophobicContact CD2-CD2 4.32Å; L230-F286 HydrophobicContact CD2-CG 3.76Å; L232-F286 HydrophobicContact CD2-CD2 4Å; L232-F286 HydrophobicContact CD2-CE2 4.21Å; I282-F286 HydrophobicContact CG2-CD2 4.42Å; I282-F286 HydrophobicContact CG2-CE2 4.07Å; I282-F286 VanDerWaalsContact O-CD2 3.26Å; I282-F286 WeakPolarHBondContact O-CD2 3.26Å; R283-F286 PolarHBondContact O-N 3.28Å; R283-F286 VanDerWaalsContact O-N 3.16Å; D284-F286 VanDerWaalsContact C-N 3.31Å; D284-F286 PolarHBondContact O-N 2.81Å; F286-R288 VanDerWaalsContact C-N 3.29Å; F286-R288 PolarHBondContact O-N 2.82Å; F286-I289 WeakPolarHBondContact O-CB 3.38Å; F286-I289 PolarHBondContact O-N 2.84Å; F286-I289 VanDerWaalsContact O-N 3.08Å; F286-S290 PolarHBondContact O-N 3.17Å; F286-S290 VanDerWaalsContact O-N 3.16Å
287	L	96.9	Very high	91.4	Very high	37 Å²	37	45.8 Å²	45.8	19%	0.194	26%	0.258	C	S	.	.	H	α-helix	trans	-64.6	-35.1	178.4	-68.1	-177.7	0	0	0	112.1	R283 D284 I289 S290 T291 C300 P302	R283-L287 HydrophobicContact CG-CD1 3.93Å; R283-L287 HydrophobicContact CG-CG 4.25Å; R283-L287 WeakPolarHBondContact O-CG 3.42Å; R283-L287 PolarHBondContact O-N 3.2Å; D284-L287 PolarHBondContact O-N 3.15Å; L287-I289 PolarHBondContact O-N 3.15Å; L287-S290 WeakPolarHBondContact CA-OG 3.29Å; L287-S290 PolarHBondContact O-N 3.48Å; L287-S290 VanDerWaalsContact O-N 3.08Å; L287-S290 PolarHBondContact O-OG 2.9Å; L287-T291 WeakPolarHBondContact O-CG2 3.28Å; L287-T291 PolarHBondContact O-N 2.84Å; L287-T291 PolarHBondContact O-OG1 3.27Å; L287-C300 HydrophobicContact CD2-CB 4.33Å; L287-P302 HydrophobicContact CD1-CG 4.36Å; L287-P302 HydrophobicContact CD2-CG 4.12Å
288	R	96.5	Very high	90.9	Very high	136 Å²	136	43.4 Å²	43.4	51%	0.513	25%	0.249	S	C	.	.	H	α-helix	trans	-56.7	-37.1	172.8	-168.2	-164.3	-47.5	131.1	10	111.9	D284 E285 F286 A292	D284-R288 WeakPolarHBondContact O-CB 3.4Å; D284-R288 PolarHBondContact O-N 2.85Å; E285-R288 IonicContact OE1-CZ 2.76Å; E285-R288 IonicContact OE1-NH1 3.05Å; E285-R288 IonicContact OE1-NH2 2.77Å; E285-R288 PolarHBondContact OE1-NH2 2.84Å; E285-R288 IonicContact OE2-CZ 3.3Å; E285-R288 VanDerWaalsContact OE2-CZ 3.25Å; E285-R288 IonicContact OE2-NH1 3.75Å; E285-R288 PolarHBondContact OE2-NH1 2.91Å; E285-R288 IonicContact OE2-NH2 3.63Å; E285-R288 PolarHBondContact OE2-NH2 2.79Å; F286-R288 VanDerWaalsContact C-N 3.29Å; F286-R288 PolarHBondContact O-N 2.82Å; R288-A292 VanDerWaalsContact O-CB 3.3Å; R288-A292 WeakPolarHBondContact O-CB 3.45Å; R288-A292 PolarHBondContact O-N 2.86Å
289	I	96.5	Very high	90.6	Very high	27 Å²	27	48.6 Å²	48.6	14%	0.138	27%	0.27	C	S	.	.	H	α-helix	trans	-68	-46.1	176.3	-64	165.4	0	0	0	110.2	L211 F214 K215 W218 F286 L287 A292	L211-I289 HydrophobicContact CB-CD1 4.19Å; L211-I289 HydrophobicContact CD2-CD1 3.76Å; F214-I289 HydrophobicContact CD1-CB 4.03Å; F214-I289 HydrophobicContact CD1-CD1 4.07Å; F214-I289 HydrophobicContact CD1-CG2 3.81Å; F214-I289 HydrophobicContact CE1-CB 4.06Å; F214-I289 HydrophobicContact CE1-CG2 3.99Å; K215-I289 HydrophobicContact CB-CD1 4.28Å; K215-I289 HydrophobicContact CB-CG2 3.83Å; K215-I289 HydrophobicContact CG-CG2 3.97Å; W218-I289 HydrophobicContact CB-CG2 4.49Å; F286-I289 WeakPolarHBondContact O-CB 3.38Å; F286-I289 PolarHBondContact O-N 2.84Å; F286-I289 VanDerWaalsContact O-N 3.08Å; L287-I289 PolarHBondContact O-N 3.15Å; I289-A292 PolarHBondContact O-N 2.9Å
290	S	94.7	Very high	90.3	Very high	10 Å²	10	49.3 Å²	49.3	7%	0.07	28%	0.275	C	S	.	.	H	α-helix	trans	-70.8	-31.8	-176.1	61.6	0	0	0	0	113.4	W218 F286 L287	W218-S290 VanDerWaalsContact CE2-CA 3.42Å; W218-S290 WeakPolarHBondContact CZ2-O 3.36Å; W218-S290 PolarHBondContact NE1-O 2.96Å; F286-S290 PolarHBondContact O-N 3.17Å; F286-S290 VanDerWaalsContact O-N 3.16Å; L287-S290 WeakPolarHBondContact CA-OG 3.29Å; L287-S290 PolarHBondContact O-N 3.48Å; L287-S290 VanDerWaalsContact O-N 3.08Å; L287-S290 PolarHBondContact O-OG 2.9Å
291	T	92.8	Very high	90.1	Very high	109 Å²	109	51.8 Å²	51.8	67%	0.669	29%	0.285	S	S	*	.	H	α-helix	trans	-84.7	-12.5	179.2	61.5	0	0	0	0	113.7	L287	L287-T291 WeakPolarHBondContact O-CG2 3.28Å; L287-T291 PolarHBondContact O-N 2.84Å; L287-T291 PolarHBondContact O-OG1 3.27Å
292	A	89.8	Confident	90	Very high	85 Å²	85	53.8 Å²	53.8	70%	0.702	30%	0.298	S	S	*	.	S	Bend	trans	-73.2	-25.7	-176.7	0	0	0	0	0	114.3	R288 I289	R288-A292 VanDerWaalsContact O-CB 3.3Å; R288-A292 WeakPolarHBondContact O-CB 3.45Å; R288-A292 PolarHBondContact O-N 2.86Å; I289-A292 PolarHBondContact O-N 2.9Å
293	S	74.4	Confident	89.9	Confident	59 Å²	59	55 Å²	55	41%	0.413	30%	0.303	S	S	.	.	S	Bend	trans	-130.8	13.4	-170.1	51.7	0	0	0	0	114.9	W218 N219 D295	W218-S293 PolarHBondContact NE1-OG 3.1Å; N219-S293 PolarHBondContact OD1-OG 2.91Å; S293-D295 PolarHBondContact O-N 3.07Å
294	G	61.8	Low	89.8	Confident	51 Å²	51	55.7 Å²	55.7	53%	0.526	31%	0.308	S	S	.	.			trans	-71.5	115.3	-171.9	0	0	0	0	0	114.3
295	D	70.9	Confident	89.8	Confident	91 Å²	91	54.1 Å²	54.1	49%	0.487	30%	0.299	S	S	.	.			trans	-85	8.6	162.2	65	-4.2	0	0	0	112.5	S293 R297	S293-D295 PolarHBondContact O-N 3.07Å; D295-R297 VanDerWaalsContact C-N 3.34Å; D295-R297 PolarHBondContact O-N 2.81Å; D295-R297 WeakPolarHBondContact OD1-CB 3.33Å; D295-R297 VanDerWaalsContact OD1-CG 3.29Å; D295-R297 WeakPolarHBondContact OD1-CG 3.48Å; D295-R297 PolarHBondContact OD1-N 3.12Å; D295-R297 WeakPolarHBondContact OD2-CD 3.3Å; D295-R297 IonicContact OD2-CZ 3.56Å; D295-R297 IonicContact OD2-NE 3.7Å; D295-R297 PolarHBondContact OD2-NE 3.33Å
296	G	75.9	Confident	89.6	Confident	43 Å²	43	54.3 Å²	54.3	44%	0.443	30%	0.302	S	S	.	.	S	Bend	trans	79.4	6.6	178.7	0	0	0	0	0	115.1	Y299	G296-Y299 PolarHBondContact O-OH 3.1Å
297	R	83	Confident	89.3	Confident	160 Å²	160	56.5 Å²	56.5	60%	0.604	32%	0.319	S	S	*	.	S	Bend	trans	-82.2	-21.7	-175.2	-65.6	-176.9	-170.2	-171.4	2	115	D295	D295-R297 VanDerWaalsContact C-N 3.34Å; D295-R297 PolarHBondContact O-N 2.81Å; D295-R297 WeakPolarHBondContact OD1-CB 3.33Å; D295-R297 VanDerWaalsContact OD1-CG 3.29Å; D295-R297 WeakPolarHBondContact OD1-CG 3.48Å; D295-R297 PolarHBondContact OD1-N 3.12Å; D295-R297 WeakPolarHBondContact OD2-CD 3.3Å; D295-R297 IonicContact OD2-CZ 3.56Å; D295-R297 IonicContact OD2-NE 3.7Å; D295-R297 PolarHBondContact OD2-NE 3.33Å
298	H	88.4	Confident	88.9	Confident	15 Å²	15	56 Å²	56	7%	0.069	32%	0.318	C	S	.	.			trans	-148.4	160.9	176.6	70.1	166.9	0	0	0	111.2	W218 L223 I226	W218-H298 AromaticContact CD2-CE1 3.9Å; W218-H298 AromaticContact CD2-NE2 3.84Å; W218-H298 AromaticContact CE2-CE1 3.95Å; W218-H298 AromaticContact CE2-NE2 3.41Å; W218-H298 AromaticContact CE3-CE1 3.92Å; W218-H298 AromaticContact CH2-CD2 3.65Å; W218-H298 AromaticContact CH2-NE2 3.65Å; W218-H298 AromaticContact CZ2-CD2 3.63Å; W218-H298 AromaticContact CZ2-NE2 3.33Å; W218-H298 VanDerWaalsContact CZ2-NE2 3.33Å; W218-H298 WeakPolarHBondContact CZ2-NE2 3.47Å; W218-H298 AromaticContact CZ3-CE1 4Å; W218-H298 AromaticContact NE1-NE2 3.94Å; W218-H298 PolarHBondContact O-CE1 2.76Å; L223-H298 PolarHBondContact O-ND1 3.11Å; I226-H298 PolarHBondContact O-ND1 3.36Å
299	Y	90.9	Very high	88.7	Confident	109 Å²	109	53 Å²	53	43%	0.427	31%	0.312	S	S	.	.			trans	-127.8	159	-170.8	-61.7	-91.1	0	0	0	111.5	S227 V228 G296	S227-Y299 WeakPolarHBondContact CA-O 3.17Å; S227-Y299 WeakPolarHBondContact CB-O 3.34Å; S227-Y299 PolarHBondContact OG-N 2.73Å; V228-Y299 PolarHBondContact N-O 3.37Å; G296-Y299 PolarHBondContact O-OH 3.1Å
300	C	94	Very high	88.3	Confident	20 Å²	20	55.6 Å²	55.6	14%	0.135	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	126.7	171.5	-175.5	0	0	0	0	108.8	W218 V228 L287 P302	W218-C300 HydrophobicContact CH2-CB 4.12Å; W218-C300 HydrophobicContact CZ3-CB 3.88Å; V228-C300 CarbonylContact O-C 3.57Å; V228-C300 VanDerWaalsContact O-CA 3.3Å; V228-C300 WeakPolarHBondContact O-CA 3.43Å; L287-C300 HydrophobicContact CD2-CB 4.33Å; C300-P302 WeakPolarHBondContact O-CD 3.47Å
301	Y	94.6	Very high	88	Confident	57 Å²	57	59 Å²	59	22%	0.224	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	95	-179.2	-56.4	-81.5	0	0	0	109.4	V228 I229 L230 H303 I323 M327	V228-Y301 PolarHBondContact O-N 2.92Å; I229-Y301 HydrophobicContact CG1-CD2 4.47Å; L230-Y301 PolarHBondContact N-O 3.4Å; Y301-H303 PolarHBondContact O-CD2 3.39Å; Y301-H303 VanDerWaalsContact O-CD2 3.3Å; Y301-I323 HydrophobicContact CD1-CD1 3.73Å; Y301-I323 HydrophobicContact CD1-CG1 4.26Å; Y301-I323 HydrophobicContact CD1-CG2 4.07Å; Y301-I323 HydrophobicContact CD2-CG2 3.61Å; Y301-I323 HydrophobicContact CE1-CD1 4.35Å; Y301-I323 HydrophobicContact CE1-CG1 4.39Å; Y301-I323 HydrophobicContact CE1-CG2 3.89Å; Y301-I323 HydrophobicContact CE2-CG2 3.38Å; Y301-I323 HydrophobicContact CG-CD1 3.86Å; Y301-I323 HydrophobicContact CG-CG2 3.93Å; Y301-M327 HydrophobicContact CE2-SD 4.06Å
302	P	96.4	Very high	87.9	Confident	45 Å²	45	55.3 Å²	55.3	29%	0.292	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	135.1	-177.9	32	-35.3	0	0	0	112	L230 R283 L287 C300	L230-P302 HydrophobicContact CD2-CB 4.39Å; L230-P302 CarbonylContact O-C 3.49Å; L230-P302 WeakPolarHBondContact O-CA 3.3Å; R283-P302 HydrophobicContact CG-CB 3.91Å; R283-P302 HydrophobicContact CG-CG 4.25Å; L287-P302 HydrophobicContact CD1-CG 4.36Å; L287-P302 HydrophobicContact CD2-CG 4.12Å; C300-P302 WeakPolarHBondContact O-CD 3.47Å
303	H	96.3	Very high	87.9	Confident	26 Å²	26	53.8 Å²	53.8	12%	0.12	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	137.9	172.7	-62.4	-92.2	0	0	0	110	L230 F231 L232 Y301 T305 V316	L230-H303 PolarHBondContact O-N 3.46Å; F231-H303 HydrophobicContact CD1-CB 4.1Å; F231-H303 HydrophobicContact CE1-CB 4.29Å; L232-H303 PolarHBondContact N-O 3.33Å; Y301-H303 PolarHBondContact O-CD2 3.39Å; Y301-H303 VanDerWaalsContact O-CD2 3.3Å; H303-T305 HydrophobicContact CB-CG2 4.12Å; H303-V316 HydrophobicContact CB-CG1 3.68Å
304	F	97.3	Very high	88.5	Confident	45 Å²	45	56.5 Å²	56.5	20%	0.197	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	120.6	170.3	-62.5	-63.6	0	0	0	108.9	L232 Q235 K279 Y280 R283	L232-F304 HydrophobicContact CB-CD1 3.94Å; L232-F304 HydrophobicContact CB-CE1 4.41Å; L232-F304 HydrophobicContact CD1-CD1 3.77Å; L232-F304 HydrophobicContact CD1-CE1 3.45Å; L232-F304 VanDerWaalsContact CD1-CE1 3.45Å; L232-F304 HydrophobicContact CD1-CZ 4.3Å; Q235-F304 HydrophobicContact CG-CB 4Å; K279-F304 HydrophobicContact CB-CD1 4.05Å; K279-F304 HydrophobicContact CB-CE1 3.68Å; K279-F304 HydrophobicContact CB-CZ 4.32Å; K279-F304 HydrophobicContact CD-CD1 3.98Å; K279-F304 HydrophobicContact CD-CD2 4.25Å; K279-F304 HydrophobicContact CD-CE1 3.99Å; K279-F304 HydrophobicContact CD-CE2 4.26Å; K279-F304 HydrophobicContact CD-CG 4.11Å; K279-F304 HydrophobicContact CD-CZ 4.13Å; K279-F304 HydrophobicContact CG-CD1 4.09Å; K279-F304 HydrophobicContact CG-CE1 3.63Å; K279-F304 HydrophobicContact CG-CE2 4.37Å; K279-F304 HydrophobicContact CG-CZ 3.79Å; K279-F304 WeakPolarHBondContact O-CE1 3.33Å; Y280-F304 HydrophobicContact CD1-CZ 4.47Å; Y280-F304 HydrophobicContact CD2-CE2 4.13Å; Y280-F304 AromaticContact CD2-CZ 3.85Å; Y280-F304 HydrophobicContact CD2-CZ 3.85Å; Y280-F304 HydrophobicContact CE1-CE2 4.32Å; Y280-F304 HydrophobicContact CE1-CZ 4.44Å; Y280-F304 AromaticContact CE2-CE2 3.64Å; Y280-F304 HydrophobicContact CE2-CE2 3.64Å; Y280-F304 AromaticContact CE2-CZ 3.86Å; Y280-F304 HydrophobicContact CE2-CZ 3.86Å; Y280-F304 HydrophobicContact CG-CZ 4.16Å; Y280-F304 AromaticContact CZ-CE2 3.71Å; R283-F304 HydrophobicContact CB-CE1 4.18Å; R283-F304 HydrophobicContact CB-CZ 4.09Å; R283-F304 HydrophobicContact CG-CZ 4.42Å
305	T	96.8	Very high	89.7	Confident	1 Å²	1	60.9 Å²	60.9	1%	0.006	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	151.3	-171.5	69.7	0	0	0	0	113.8	F231 L232 N233 K234 Q235 H303 N312 V316	F231-T305 HydrophobicContact CB-CG2 3.99Å; F231-T305 HydrophobicContact CD1-CG2 3.81Å; F231-T305 HydrophobicContact CD2-CG2 4.07Å; F231-T305 HydrophobicContact CE1-CG2 4.27Å; F231-T305 HydrophobicContact CG-CG2 3.7Å; L232-T305 PolarHBondContact O-N 3.35Å; N233-T305 CarbonylContact C-O 3.57Å; N233-T305 VanDerWaalsContact CA-O 3.29Å; N233-T305 WeakPolarHBondContact CA-O 3.21Å; N233-T305 VanDerWaalsContact CA-OG1 3.25Å; N233-T305 WeakPolarHBondContact CA-OG1 3.44Å; N233-T305 WeakPolarHBondContact CB-OG1 3.35Å; N233-T305 PolarHBondContact OD1-O 3.17Å; N233-T305 PolarHBondContact OD1-OG1 3.47Å; N233-T305 VanDerWaalsContact OD1-OG1 3.07Å; K234-T305 PolarHBondContact N-O 3.02Å; K234-T305 VanDerWaalsContact N-O 3.15Å; Q235-T305 WeakPolarHBondContact CG-O 3.29Å; Q235-T305 PolarHBondContact N-O 3.16Å; H303-T305 HydrophobicContact CB-CG2 4.12Å; T305-N312 VanDerWaalsContact CA-OD1 3.3Å; T305-N312 WeakPolarHBondContact CA-OD1 3.43Å; T305-V316 HydrophobicContact CG2-CB 4.44Å; T305-V316 HydrophobicContact CG2-CG1 3.92Å; T305-V316 HydrophobicContact CG2-CG2 4.18Å
306	C	95.3	Very high	90.4	Very high	15 Å²	15	57 Å²	57	10%	0.101	28%	0.281	C	S	.	.			trans	-124	99.4	164	-175.4	0	0	0	0	108.1	D236 V308 D309 N312	D236-C306 PolarHBondContact OD1-SG 3.19Å; D236-C306 VanDerWaalsContact OD1-SG 3.32Å; C306-V308 PolarHBondContact O-N 3.42Å; C306-V308 VanDerWaalsContact O-N 3.09Å; C306-V308 WeakPolarHBondContact SG-CG2 3.38Å; C306-D309 HydrophobicContact CB-CB 3.99Å; C306-D309 PolarHBondContact O-N 3.14Å; C306-N312 PolarHBondContact N-OD1 3.32Å
307	A	91.3	Very high	90.8	Very high	45 Å²	45	56.5 Å²	56.5	37%	0.372	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-17.1	-173.9	0	0	0	0	0	114.8	N233	N233-A307 WeakPolarHBondContact ND2-CB 3.41Å; N233-A307 WeakPolarHBondContact OD1-CB 3.34Å; N233-A307 PolarHBondContact OD1-N 2.96Å
308	V	89.3	Confident	90.9	Very high	27 Å²	27	51.9 Å²	51.9	16%	0.164	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.9	1.9	177.4	-60.1	0	0	0	0	112.3	Q136 C306	Q136-V308 PolarHBondContact NE2-O 2.86Å; Q136-V308 PolarHBondContact OE1-O 3.33Å; C306-V308 PolarHBondContact O-N 3.42Å; C306-V308 VanDerWaalsContact O-N 3.09Å; C306-V308 WeakPolarHBondContact SG-CG2 3.38Å
309	D	91.9	Very high	90.6	Very high	74 Å²	74	55.5 Å²	55.5	40%	0.396	27%	0.274	S	S	.	.			trans	-108	104.9	170.6	176.9	-9.7	0	0	0	108.6	C306 E311 N312 I313	C306-D309 HydrophobicContact CB-CB 3.99Å; C306-D309 PolarHBondContact O-N 3.14Å; D309-E311 PolarHBondContact O-N 3.07Å; D309-E311 WeakPolarHBondContact OD1-CA 3.31Å; D309-E311 WeakPolarHBondContact OD1-CB 3.4Å; D309-E311 PolarHBondContact OD1-N 2.96Å; D309-N312 HydrophobicContact CB-CB 3.84Å; D309-N312 PolarHBondContact O-N 3.38Å; D309-N312 PolarHBondContact OD1-N 3.41Å; D309-I313 PolarHBondContact O-N 3.05Å
310	T	88.4	Confident	90.1	Very high	81 Å²	81	50.3 Å²	50.3	50%	0.497	25%	0.254	S	S	.	.	H	α-helix	trans	-61.7	-31.8	-178.7	-47.3	0	0	0	0	112.5	R314	T310-R314 WeakPolarHBondContact O-CB 3.32Å; T310-R314 PolarHBondContact O-N 3.17Å
311	E	88.9	Confident	89.5	Confident	80 Å²	80	51.8 Å²	51.8	37%	0.374	26%	0.256	S	S	.	.	H	α-helix	trans	-72	-45.2	178.9	178.7	64	-138.5	0	0	111	D309 I313 R314 R315	D309-E311 PolarHBondContact O-N 3.07Å; D309-E311 WeakPolarHBondContact OD1-CA 3.31Å; D309-E311 WeakPolarHBondContact OD1-CB 3.4Å; D309-E311 PolarHBondContact OD1-N 2.96Å; E311-I313 PolarHBondContact O-N 3.36Å; E311-R314 PolarHBondContact O-N 3Å; E311-R314 IonicContact OE1-NH1 2.58Å; E311-R314 IonicContact OE2-CZ 2.71Å; E311-R314 IonicContact OE2-NH1 3.73Å; E311-R314 PolarHBondContact OE2-NH1 3.15Å; E311-R315 WeakPolarHBondContact O-CG 3.38Å; E311-R315 PolarHBondContact O-N 3.01Å; E311-R315 VanDerWaalsContact O-N 3.11Å; E311-R315 IonicContact OE1-CZ 3.25Å; E311-R315 IonicContact OE1-NE 3.01Å; E311-R315 PolarHBondContact OE1-NE 3.37Å; E311-R315 IonicContact OE1-NH2 3.58Å; E311-R315 PolarHBondContact OE1-NH2 3.46Å
312	N	91.1	Very high	88.5	Confident	32 Å²	32	52.5 Å²	52.5	17%	0.171	26%	0.264	C	S	.	.	H	α-helix	trans	-56.5	-49.2	173.8	179.3	-93.6	0	0	0	111.4	T305 C306 D309 R314 R315 V316	T305-N312 VanDerWaalsContact CA-OD1 3.3Å; T305-N312 WeakPolarHBondContact CA-OD1 3.43Å; C306-N312 PolarHBondContact N-OD1 3.32Å; D309-N312 HydrophobicContact CB-CB 3.84Å; D309-N312 PolarHBondContact O-N 3.38Å; D309-N312 PolarHBondContact OD1-N 3.41Å; N312-R314 VanDerWaalsContact C-N 3.33Å; N312-R314 PolarHBondContact O-N 2.94Å; N312-R315 PolarHBondContact O-N 3.15Å; N312-V316 WeakPolarHBondContact O-CG2 3.47Å; N312-V316 PolarHBondContact O-N 2.91Å
313	I	89.5	Confident	87.6	Confident	54 Å²	54	51.9 Å²	51.9	28%	0.277	26%	0.258	S	S	.	.	H	α-helix	trans	-64.1	-37.4	179.6	-67.3	-56.4	0	0	0	112.1	D309 E311 R315 V316 F317	D309-I313 PolarHBondContact O-N 3.05Å; E311-I313 PolarHBondContact O-N 3.36Å; I313-R315 PolarHBondContact O-N 3.19Å; I313-V316 PolarHBondContact O-N 2.71Å; I313-F317 WeakPolarHBondContact O-CB 3.44Å; I313-F317 PolarHBondContact O-N 3.5Å
314	R	87.6	Confident	86.7	Confident	116 Å²	116	50.7 Å²	50.7	44%	0.438	25%	0.253	S	S	.	.	H	α-helix	trans	-61.3	-44.9	176.4	-166.8	-177.9	-48.3	94.6	-0.4	111.9	T310 E311 N312 N318	T310-R314 WeakPolarHBondContact O-CB 3.32Å; T310-R314 PolarHBondContact O-N 3.17Å; E311-R314 PolarHBondContact O-N 3Å; E311-R314 IonicContact OE1-NH1 2.58Å; E311-R314 IonicContact OE2-CZ 2.71Å; E311-R314 IonicContact OE2-NH1 3.73Å; E311-R314 PolarHBondContact OE2-NH1 3.15Å; N312-R314 VanDerWaalsContact C-N 3.33Å; N312-R314 PolarHBondContact O-N 2.94Å; R314-N318 PolarHBondContact O-N 2.95Å; R314-N318 PolarHBondContact O-ND2 3.26Å
315	R	86.1	Confident	85.6	Confident	142 Å²	142	51.5 Å²	51.5	54%	0.536	26%	0.257	S	S	.	.	H	α-helix	trans	-63.7	-50.4	178	-65.5	178.6	-157.4	162.4	2.4	111.3	E311 N312 I313 F317 N318 D319	E311-R315 WeakPolarHBondContact O-CG 3.38Å; E311-R315 PolarHBondContact O-N 3.01Å; E311-R315 VanDerWaalsContact O-N 3.11Å; E311-R315 IonicContact OE1-CZ 3.25Å; E311-R315 IonicContact OE1-NE 3.01Å; E311-R315 PolarHBondContact OE1-NE 3.37Å; E311-R315 IonicContact OE1-NH2 3.58Å; E311-R315 PolarHBondContact OE1-NH2 3.46Å; N312-R315 PolarHBondContact O-N 3.15Å; I313-R315 PolarHBondContact O-N 3.19Å; R315-F317 VanDerWaalsContact C-N 3.3Å; R315-F317 PolarHBondContact O-N 3.21Å; R315-N318 WeakPolarHBondContact O-CB 3.36Å; R315-N318 PolarHBondContact O-N 3.08Å; R315-N318 VanDerWaalsContact O-N 3.11Å; R315-D319 PolarHBondContact O-N 3Å
316	V	85.9	Confident	84.5	Confident	9 Å²	9	59.1 Å²	59.1	6%	0.055	29%	0.286	C	S	.	.	H	α-helix	trans	-62.9	-38.7	-179.7	173.4	0	0	0	0	111.5	F231 H303 T305 N312 I313 N318 D319 C320	F231-V316 HydrophobicContact CD1-CG1 4.25Å; F231-V316 HydrophobicContact CE1-CG1 3.44Å; F231-V316 VanDerWaalsContact CE1-CG1 3.44Å; F231-V316 HydrophobicContact CZ-CG1 3.67Å; H303-V316 HydrophobicContact CB-CG1 3.68Å; T305-V316 HydrophobicContact CG2-CB 4.44Å; T305-V316 HydrophobicContact CG2-CG1 3.92Å; T305-V316 HydrophobicContact CG2-CG2 4.18Å; N312-V316 WeakPolarHBondContact O-CG2 3.47Å; N312-V316 PolarHBondContact O-N 2.91Å; I313-V316 PolarHBondContact O-N 2.71Å; V316-N318 VanDerWaalsContact C-N 3.34Å; V316-D319 PolarHBondContact O-N 3.16Å; V316-C320 WeakPolarHBondContact O-CB 3.47Å; V316-C320 PolarHBondContact O-N 3.28Å; V316-C320 PolarHBondContact O-SG 3.21Å
317	F	84.5	Confident	83.6	Confident	34 Å²	34	59.4 Å²	59.4	15%	0.149	29%	0.286	C	S	.	.	H	α-helix	trans	-65.3	-37.9	175.9	-170.2	-96.5	0	0	0	112.1	F153 V155 F160 I313 R315 C320 R321	F153-F317 AromaticContact CE2-CE1 3.98Å; F153-F317 HydrophobicContact CE2-CE1 3.98Å; F153-F317 HydrophobicContact CE2-CE2 4.31Å; F153-F317 AromaticContact CE2-CZ 3.54Å; F153-F317 HydrophobicContact CE2-CZ 3.54Å; F153-F317 HydrophobicContact CZ-CE1 4.5Å; F153-F317 HydrophobicContact CZ-CE2 4.01Å; F153-F317 AromaticContact CZ-CZ 3.66Å; F153-F317 HydrophobicContact CZ-CZ 3.66Å; V155-F317 HydrophobicContact CG2-CE1 4.2Å; F160-F317 AromaticContact CD1-CZ 3.96Å; F160-F317 HydrophobicContact CD1-CZ 3.96Å; F160-F317 HydrophobicContact CD2-CZ 4.3Å; F160-F317 AromaticContact CE1-CZ 3.94Å; F160-F317 HydrophobicContact CE1-CZ 3.94Å; F160-F317 HydrophobicContact CE2-CE1 4.37Å; F160-F317 HydrophobicContact CE2-CZ 4.31Å; F160-F317 HydrophobicContact CG-CZ 4.13Å; F160-F317 HydrophobicContact CZ-CE1 4.32Å; F160-F317 HydrophobicContact CZ-CZ 4.13Å; I313-F317 WeakPolarHBondContact O-CB 3.44Å; I313-F317 PolarHBondContact O-N 3.5Å; R315-F317 VanDerWaalsContact C-N 3.3Å; R315-F317 PolarHBondContact O-N 3.21Å; F317-C320 WeakPolarHBondContact O-CB 3.22Å; F317-C320 PolarHBondContact O-N 3.4Å; F317-R321 PolarHBondContact O-N 2.85Å
318	N	84.4	Confident	82.7	Confident	63 Å²	63	58.5 Å²	58.5	34%	0.337	27%	0.274	S	S	.	.	H	α-helix	trans	-63.7	-41.5	173.9	-71.3	-20.6	0	0	0	111.9	R314 R315 V316 C320 R321	R314-N318 PolarHBondContact O-N 2.95Å; R314-N318 PolarHBondContact O-ND2 3.26Å; R315-N318 WeakPolarHBondContact O-CB 3.36Å; R315-N318 PolarHBondContact O-N 3.08Å; R315-N318 VanDerWaalsContact O-N 3.11Å; V316-N318 VanDerWaalsContact C-N 3.34Å; N318-C320 VanDerWaalsContact C-N 3.33Å; N318-C320 PolarHBondContact O-N 3.29Å; N318-R321 VanDerWaalsContact O-CB 3.31Å; N318-R321 WeakPolarHBondContact O-CB 3.43Å; N318-R321 PolarHBondContact O-N 3.11Å
319	D	81.4	Confident	82	Confident	90 Å²	90	60.3 Å²	60.3	48%	0.481	28%	0.282	S	S	.	.	H	α-helix	trans	-63.7	-41.5	174.7	-62.9	-20.3	0	0	0	111.4	R315 V316 R321	R315-D319 PolarHBondContact O-N 3Å; V316-D319 PolarHBondContact O-N 3.16Å; D319-R321 VanDerWaalsContact C-N 3.27Å; D319-R321 PolarHBondContact O-N 2.78Å
320	C	81.8	Confident	81.1	Confident	1 Å²	1	63.8 Å²	63.8	1%	0.007	29%	0.29	C	S	.	.	H	α-helix	trans	-63.1	-34.4	176	-68.9	0	0	0	0	111.9	I229 V316 F317 N318 D322 I323 I324	I229-C320 HydrophobicContact CD1-CB 3.96Å; I229-C320 WeakPolarHBondContact CG2-SG 3.23Å; V316-C320 WeakPolarHBondContact O-CB 3.47Å; V316-C320 PolarHBondContact O-N 3.28Å; V316-C320 PolarHBondContact O-SG 3.21Å; F317-C320 WeakPolarHBondContact O-CB 3.22Å; F317-C320 PolarHBondContact O-N 3.4Å; N318-C320 VanDerWaalsContact C-N 3.33Å; N318-C320 PolarHBondContact O-N 3.29Å; C320-D322 VanDerWaalsContact C-N 3.34Å; C320-D322 PolarHBondContact O-N 3.38Å; C320-I323 WeakPolarHBondContact O-CB 3.45Å; C320-I323 PolarHBondContact O-N 3.3Å; C320-I324 HydrophobicContact CB-CD1 3.99Å; C320-I324 WeakPolarHBondContact O-CB 3.09Å; C320-I324 VanDerWaalsContact O-CD1 3.27Å; C320-I324 WeakPolarHBondContact O-CD1 3.29Å; C320-I324 WeakPolarHBondContact O-CG1 3.29Å; C320-I324 PolarHBondContact O-N 3.5Å
321	R	80	Confident	80.2	Confident	50 Å²	50	64.2 Å²	64.2	19%	0.189	29%	0.286	C	S	.	.	H	α-helix	trans	-57.7	-46.3	-178.5	-176.8	-174.7	70.8	-174.1	6.8	111.8	D156 F160 F317 N318 D319 I323 I324 Q325	D156-R321 IonicContact OD2-CZ 2.7Å; D156-R321 IonicContact OD2-NH1 2.84Å; D156-R321 PolarHBondContact OD2-NH1 3.46Å; F160-R321 HydrophobicContact CZ-CG 4.27Å; F317-R321 PolarHBondContact O-N 2.85Å; N318-R321 VanDerWaalsContact O-CB 3.31Å; N318-R321 WeakPolarHBondContact O-CB 3.43Å; N318-R321 PolarHBondContact O-N 3.11Å; D319-R321 VanDerWaalsContact C-N 3.27Å; D319-R321 PolarHBondContact O-N 2.78Å; R321-I323 VanDerWaalsContact C-N 3.27Å; R321-I323 PolarHBondContact O-N 2.99Å; R321-I324 PolarHBondContact O-N 2.8Å; R321-Q325 HydrophobicContact CG-CG 4.32Å; R321-Q325 WeakPolarHBondContact O-CB 3.22Å; R321-Q325 WeakPolarHBondContact O-CG 3.35Å; R321-Q325 PolarHBondContact O-N 3.12Å
322	D	73.7	Confident	79.5	Confident	73 Å²	73	67.4 Å²	67.4	39%	0.39	30%	0.296	S	S	.	.	H	α-helix	trans	-65.5	-36.1	-178.9	-71.2	1.7	0	0	0	111.2	C320 R326	C320-D322 VanDerWaalsContact C-N 3.34Å; C320-D322 PolarHBondContact O-N 3.38Å; D322-R326 VanDerWaalsContact O-CG 3.25Å; D322-R326 WeakPolarHBondContact O-CG 3.19Å; D322-R326 PolarHBondContact O-N 3.15Å; D322-R326 VanDerWaalsContact O-N 3.17Å
323	I	78.2	Confident	78.6	Confident	31 Å²	31	74.4 Å²	74.4	16%	0.159	33%	0.327	C	S	.	.	H	α-helix	trans	-63.9	-50.8	173.4	-63.1	167.6	0	0	0	109.9	Y301 C320 R321 Q325 R326 M327	Y301-I323 HydrophobicContact CD1-CD1 3.73Å; Y301-I323 HydrophobicContact CD1-CG1 4.26Å; Y301-I323 HydrophobicContact CD1-CG2 4.07Å; Y301-I323 HydrophobicContact CD2-CG2 3.61Å; Y301-I323 HydrophobicContact CE1-CD1 4.35Å; Y301-I323 HydrophobicContact CE1-CG1 4.39Å; Y301-I323 HydrophobicContact CE1-CG2 3.89Å; Y301-I323 HydrophobicContact CE2-CG2 3.38Å; Y301-I323 HydrophobicContact CG-CD1 3.86Å; Y301-I323 HydrophobicContact CG-CG2 3.93Å; C320-I323 WeakPolarHBondContact O-CB 3.45Å; C320-I323 PolarHBondContact O-N 3.3Å; R321-I323 VanDerWaalsContact C-N 3.27Å; R321-I323 PolarHBondContact O-N 2.99Å; I323-Q325 PolarHBondContact O-N 3.38Å; I323-R326 PolarHBondContact O-N 2.98Å; I323-M327 HydrophobicContact CG2-CG 4.43Å; I323-M327 HydrophobicContact CG2-SD 3.83Å; I323-M327 VanDerWaalsContact O-CG 3.26Å; I323-M327 WeakPolarHBondContact O-CG 3.22Å; I323-M327 PolarHBondContact O-N 3.15Å
324	I	77.4	Confident	77.4	Confident	2 Å²	2	77.5 Å²	77.5	1%	0.01	34%	0.344	C	S	.	.	H	α-helix	trans	-64.7	-41.6	-176.6	-67.3	157.8	0	0	0	111.1	L4 V6 F160 T183 A184 I229 C320 R321 M327 H328	L4-I324 HydrophobicContact CD2-CD1 3.34Å; L4-I324 HydrophobicContact CD2-CG1 4.14Å; L4-I324 HydrophobicContact CD2-CG2 4.37Å; V6-I324 HydrophobicContact CB-CG2 4.3Å; V6-I324 HydrophobicContact CG2-CG2 3.29Å; F160-I324 HydrophobicContact CE1-CD1 4.48Å; F160-I324 HydrophobicContact CE1-CG2 4.46Å; T183-I324 HydrophobicContact CG2-CG2 3.95Å; A184-I324 HydrophobicContact CB-CG1 4.43Å; I229-I324 HydrophobicContact CD1-CD1 3.78Å; I229-I324 HydrophobicContact CD1-CG1 3.76Å; C320-I324 HydrophobicContact CB-CD1 3.99Å; C320-I324 WeakPolarHBondContact O-CB 3.09Å; C320-I324 VanDerWaalsContact O-CD1 3.27Å; C320-I324 WeakPolarHBondContact O-CD1 3.29Å; C320-I324 WeakPolarHBondContact O-CG1 3.29Å; C320-I324 PolarHBondContact O-N 3.5Å; R321-I324 PolarHBondContact O-N 2.8Å; I324-M327 PolarHBondContact O-N 3.16Å; I324-H328 WeakPolarHBondContact O-CB 3.43Å; I324-H328 PolarHBondContact O-N 3.13Å
325	Q	73.6	Confident	75.9	Confident	61 Å²	61	79.1 Å²	79.1	29%	0.285	36%	0.36	S	S	.	.	H	α-helix	trans	-61.8	-44.8	175.9	-76.4	179.8	-3.7	0	0	111.4	R321 I323 M327 H328 L329	R321-Q325 HydrophobicContact CG-CG 4.32Å; R321-Q325 WeakPolarHBondContact O-CB 3.22Å; R321-Q325 WeakPolarHBondContact O-CG 3.35Å; R321-Q325 PolarHBondContact O-N 3.12Å; I323-Q325 PolarHBondContact O-N 3.38Å; Q325-M327 VanDerWaalsContact C-N 3.32Å; Q325-M327 PolarHBondContact O-N 2.93Å; Q325-H328 PolarHBondContact O-N 2.83Å; Q325-L329 VanDerWaalsContact O-CG 3.31Å; Q325-L329 WeakPolarHBondContact O-CG 3.29Å; Q325-L329 PolarHBondContact O-N 3.13Å
326	R	74.1	Confident	75.4	Confident	162 Å²	162	76 Å²	76	61%	0.611	35%	0.352	S	S	*	.	H	α-helix	trans	-63.6	-38.6	175.5	-71.3	174	-170.5	-178.6	6.1	112	D322 I323 R330 L335	D322-R326 VanDerWaalsContact O-CG 3.25Å; D322-R326 WeakPolarHBondContact O-CG 3.19Å; D322-R326 PolarHBondContact O-N 3.15Å; D322-R326 VanDerWaalsContact O-N 3.17Å; I323-R326 PolarHBondContact O-N 2.98Å; R326-R330 WeakPolarHBondContact O-CB 3.33Å; R326-R330 WeakPolarHBondContact O-CG 3.09Å; R326-R330 PolarHBondContact O-N 3.18Å; R326-L335 HydrophobicContact CB-CD1 4.48Å
327	M	76.1	Confident	74.8	Confident	21 Å²	21	79.5 Å²	79.5	10%	0.103	37%	0.367	C	S	.	.	H	α-helix	trans	-64.7	-46.6	176	-72.6	174.2	59.2	0	0	111.9	T183 A184 Y301 I323 I324 Q325 R330 Q331	T183-M327 WeakPolarHBondContact O-CE 3.42Å; A184-M327 HydrophobicContact CB-CE 3.9Å; A184-M327 HydrophobicContact CB-SD 4.43Å; Y301-M327 HydrophobicContact CE2-SD 4.06Å; I323-M327 HydrophobicContact CG2-CG 4.43Å; I323-M327 HydrophobicContact CG2-SD 3.83Å; I323-M327 VanDerWaalsContact O-CG 3.26Å; I323-M327 WeakPolarHBondContact O-CG 3.22Å; I323-M327 PolarHBondContact O-N 3.15Å; I324-M327 PolarHBondContact O-N 3.16Å; Q325-M327 VanDerWaalsContact C-N 3.32Å; Q325-M327 PolarHBondContact O-N 2.93Å; M327-R330 PolarHBondContact O-N 3.33Å; M327-Q331 PolarHBondContact O-N 3.39Å
328	H	73.7	Confident	74.3	Confident	26 Å²	26	82 Å²	82	12%	0.12	38%	0.379	C	S	.	.	H	α-helix	trans	-59.9	-48.2	177.7	-174.1	82.4	0	0	0	110.9	V6 T183 I324 Q325 R330 Q331 Y332	V6-H328 PolarHBondContact O-CE1 3.42Å; V6-H328 PolarHBondContact O-ND1 3.49Å; T183-H328 HydrophobicContact CG2-CB 4.2Å; I324-H328 WeakPolarHBondContact O-CB 3.43Å; I324-H328 PolarHBondContact O-N 3.13Å; Q325-H328 PolarHBondContact O-N 2.83Å; H328-R330 PolarHBondContact O-N 3.28Å; H328-Q331 WeakPolarHBondContact O-CB 3.46Å; H328-Q331 PolarHBondContact O-N 3.33Å; H328-Q331 VanDerWaalsContact O-N 3.17Å; H328-Y332 AromaticContact CE1-CE2 3.4Å; H328-Y332 VanDerWaalsContact CE1-CE2 3.4Å; H328-Y332 WeakPolarHBondContact CE1-CE2 3.3Å; H328-Y332 AromaticContact ND1-CE2 3.82Å; H328-Y332 AromaticContact NE2-CD2 3.99Å; H328-Y332 AromaticContact NE2-CE2 3.72Å; H328-Y332 VanDerWaalsContact O-CD2 3.3Å; H328-Y332 WeakPolarHBondContact O-CD2 3.46Å; H328-Y332 PolarHBondContact O-N 3.33Å
329	L	74.5	Confident	73.7	Confident	65 Å²	65	83.1 Å²	83.1	34%	0.34	38%	0.382	S	S	.	.	H	α-helix	trans	-62.4	-39.6	178	-68.7	172.9	0	0	0	113	Q325 Q331 Y332 E333 L334 L335	Q325-L329 VanDerWaalsContact O-CG 3.31Å; Q325-L329 WeakPolarHBondContact O-CG 3.29Å; Q325-L329 PolarHBondContact O-N 3.13Å; L329-Q331 VanDerWaalsContact C-N 3.33Å; L329-Q331 PolarHBondContact O-N 2.97Å; L329-Y332 PolarHBondContact O-N 3.01Å; L329-E333 PolarHBondContact O-N 3.01Å; L329-L334 HydrophobicContact CB-CB 4.36Å; L329-L334 HydrophobicContact CD2-CB 4.1Å; L329-L334 HydrophobicContact CD2-CD1 3.78Å; L329-L334 PolarHBondContact O-N 2.87Å; L329-L335 HydrophobicContact CB-CD1 3.55Å; L329-L335 HydrophobicContact CB-CG 3.77Å; L329-L335 HydrophobicContact CD1-CD1 4.16Å; L329-L335 HydrophobicContact CD1-CG 4.38Å
330	R	72	Confident	73.2	Confident	146 Å²	146	82.7 Å²	82.7	55%	0.551	38%	0.376	S	S	*	.	H	α-helix	trans	-62.9	-38.1	174	-80.2	179.5	-179.7	177.3	0.4	112.7	R326 M327 H328 Y332 E333 L335	R326-R330 WeakPolarHBondContact O-CB 3.33Å; R326-R330 WeakPolarHBondContact O-CG 3.09Å; R326-R330 PolarHBondContact O-N 3.18Å; M327-R330 PolarHBondContact O-N 3.33Å; H328-R330 PolarHBondContact O-N 3.28Å; R330-Y332 PolarHBondContact O-N 3.38Å; R330-E333 PolarHBondContact O-N 3.16Å; R330-E333 VanDerWaalsContact O-N 3.16Å; R330-L335 HydrophobicContact CG-CB 3.98Å; R330-L335 HydrophobicContact CG-CD1 4.02Å
331	Q	70.3	Confident	72.7	Confident	91 Å²	91	88.1 Å²	88.1	43%	0.425	40%	0.4	S	S	.	.	H	α-helix	trans	-63.4	-29.4	179.7	-173.9	176.2	-4.6	0	0	112.4	M327 H328 L329	M327-Q331 PolarHBondContact O-N 3.39Å; H328-Q331 WeakPolarHBondContact O-CB 3.46Å; H328-Q331 PolarHBondContact O-N 3.33Å; H328-Q331 VanDerWaalsContact O-N 3.17Å; L329-Q331 VanDerWaalsContact C-N 3.33Å; L329-Q331 PolarHBondContact O-N 2.97Å
332	Y	73.3	Confident	72.1	Confident	146 Å²	146	90.9 Å²	90.9	57%	0.573	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.4	15.8	176.8	-69.8	-79.3	0	0	0	113.9	H328 L329 R330 L334	H328-Y332 AromaticContact CE1-CE2 3.4Å; H328-Y332 VanDerWaalsContact CE1-CE2 3.4Å; H328-Y332 WeakPolarHBondContact CE1-CE2 3.3Å; H328-Y332 AromaticContact ND1-CE2 3.82Å; H328-Y332 AromaticContact NE2-CD2 3.99Å; H328-Y332 AromaticContact NE2-CE2 3.72Å; H328-Y332 VanDerWaalsContact O-CD2 3.3Å; H328-Y332 WeakPolarHBondContact O-CD2 3.46Å; H328-Y332 PolarHBondContact O-N 3.33Å; L329-Y332 PolarHBondContact O-N 3.01Å; R330-Y332 PolarHBondContact O-N 3.38Å; Y332-L334 PolarHBondContact O-N 3.41Å; Y332-L334 VanDerWaalsContact O-N 3.15Å
333	E	71.8	Confident	72	Confident	179 Å²	179	92.2 Å²	92.2	84%	0.836	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	57	27.4	179.7	-55.5	-177.5	166.2	0	0	113.9	L329 R330 L335	L329-E333 PolarHBondContact O-N 3.01Å; R330-E333 PolarHBondContact O-N 3.16Å; R330-E333 VanDerWaalsContact O-N 3.16Å; E333-L335 VanDerWaalsContact C-N 3.34Å
334	L	65.8	Low	71.5	Confident	120 Å²	120	97.3 Å²	97.3	63%	0.628	44%	0.439	S	S	*	.			trans	-89.4	1.3	178.7	-64.3	170.7	0	0	0	113.1	L329 Y332	L329-L334 HydrophobicContact CB-CB 4.36Å; L329-L334 HydrophobicContact CD2-CB 4.1Å; L329-L334 HydrophobicContact CD2-CD1 3.78Å; L329-L334 PolarHBondContact O-N 2.87Å; Y332-L334 PolarHBondContact O-N 3.41Å; Y332-L334 VanDerWaalsContact O-N 3.15Å
335	L	55.4	Low	71	Confident	149 Å²	149	106 Å²	106	78%	0.78	48%	0.478	S	S	*	.			trans	-133.6	0	-178.3	-80.3	177.2	0	0	0	112.9	R326 L329 R330 E333	R326-L335 HydrophobicContact CB-CD1 4.48Å; L329-L335 HydrophobicContact CB-CD1 3.55Å; L329-L335 HydrophobicContact CB-CG 3.77Å; L329-L335 HydrophobicContact CD1-CD1 4.16Å; L329-L335 HydrophobicContact CD1-CG 4.38Å; R330-L335 HydrophobicContact CG-CB 3.98Å; R330-L335 HydrophobicContact CG-CD1 4.02Å; E333-L335 VanDerWaalsContact C-N 3.34Å

Retrieved 335 of 335 residues in 1605.6 ms (Link to these results)

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