A0A096NWC2_PAPAN Loading...

Uroporphyrinogen decarboxylase

Catalyzes the sequential decarboxylation of the four acetate side chains of uroporphyrinogen to form coproporphyrinogen and participates in the fifth step in the heme biosynthetic pathway. Isomer I or isomer III of uroporphyrinogen may serve as substrate, but only coproporphyrinogen III can ultimately be converted to heme. In vitro also decarboxylates pentacarboxylate porphyrinogen I.

AlphaFold DB , UniProt , Accession A0A096NWC2, Species PAPAN (Papio anubis, Olive baboon), Gene UROD, Length 367 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.7	Very low	58.7	Low	244 Å²	244	100.5 Å²	100.5	100%	1.202	60%	0.595	S	S	*	*				0	84	0	-78.1	-175.8	-90.6	0	0	106.1	A3	M1-A3 PolarHBondContact O-N 3.43Å
2	E	37.4	Very low	62	Low	189 Å²	189	94.2 Å²	94.2	88%	0.883	56%	0.558	S	S	*	*			trans	-70.8	124.6	179	-73.9	177.1	163.5	0	0	108	N4	E2-N4 PolarHBondContact O-N 3.14Å; E2-N4 VanDerWaalsContact O-N 3.14Å
3	A	42	Very low	64.7	Low	96 Å²	96	97.5 Å²	97.5	79%	0.793	57%	0.565	S	S	*	*			trans	-58.5	117.6	174.3	0	0	0	0	0	107.9	M1 G5	M1-A3 PolarHBondContact O-N 3.43Å; A3-G5 PolarHBondContact O-N 2.78Å
4	N	47.3	Very low	67.1	Low	142 Å²	142	93.4 Å²	93.4	76%	0.759	54%	0.54	S	S	*	.			trans	-53.5	103.4	176.7	-82.1	-19.7	0	0	0	108.8	E2 L6	E2-N4 PolarHBondContact O-N 3.14Å; E2-N4 VanDerWaalsContact O-N 3.14Å; N4-L6 HydrophobicContact CB-CD1 4.29Å; N4-L6 HydrophobicContact CB-CG 4.31Å; N4-L6 PolarHBondContact O-N 2.85Å
5	G	55.3	Low	69.2	Low	56 Å²	56	98.7 Å²	98.7	58%	0.577	55%	0.554	S	S	*	*			trans	-69.8	41	178	0	0	0	0	0	113.6	A3 E13	A3-G5 PolarHBondContact O-N 2.78Å; G5-E13 PolarHBondContact O-N 3.4Å
6	L	53.8	Low	71	Confident	96 Å²	96	94.7 Å²	94.7	50%	0.503	53%	0.531	S	S	.	.	B	Isolated β-bridge	trans	-88	120.7	175.8	-62.7	174.6	0	0	0	108.1	N4 F11	N4-L6 HydrophobicContact CB-CD1 4.29Å; N4-L6 HydrophobicContact CB-CG 4.31Å; N4-L6 PolarHBondContact O-N 2.85Å; L6-F11 CarbonylContact C-O 3.52Å; L6-F11 WeakPolarHBondContact CA-O 3.47Å
7	G	61.7	Low	72.7	Confident	20 Å²	20	93.1 Å²	93.1	21%	0.206	52%	0.521	C	S	.	.			trans	-76.1	-167	167.9	0	0	0	0	0	112.5	Q9 G10 F11	G7-Q9 PolarHBondContact O-N 3.13Å; G7-G10 PolarHBondContact O-N 3.31Å; G7-F11 WeakPolarHBondContact CA-O 3.49Å; G7-F11 PolarHBondContact N-O 3.47Å
8	P	57.5	Low	74.1	Confident	112 Å²	112	88.4 Å²	88.4	73%	0.727	50%	0.495	S	S	*	.	G	3₁₀ helix	trans	-52.7	141.2	179	-21.3	30.8	0	0	0	111.6	G10	P8-G10 VanDerWaalsContact C-N 3.27Å; P8-G10 PolarHBondContact O-N 3.26Å
9	Q	69.1	Low	75.4	Confident	105 Å²	105	83.7 Å²	83.7	49%	0.491	47%	0.469	S	S	.	.	G	3₁₀ helix	trans	66.7	13.4	178.9	-53.8	167.5	7.1	0	0	116	G7 F11 L253	G7-Q9 PolarHBondContact O-N 3.13Å; Q9-F11 HydrophobicContact CB-CD2 4.18Å; Q9-F11 HydrophobicContact CB-CE2 4.42Å; Q9-L253 VanDerWaalsContact NE2-CD2 3.29Å
10	G	89.4	Confident	76.6	Confident	34 Å²	34	80.9 Å²	80.9	35%	0.351	45%	0.452	S	S	.	.	G	3₁₀ helix	trans	79.8	21.4	174.2	0	0	0	0	0	114.5	G7 P8 Q143	G7-G10 PolarHBondContact O-N 3.31Å; P8-G10 VanDerWaalsContact C-N 3.27Å; P8-G10 PolarHBondContact O-N 3.26Å; G10-Q143 PolarHBondContact O-NE2 2.72Å; G10-Q143 VanDerWaalsContact O-NE2 3.13Å
11	F	96.8	Very high	77.7	Confident	12 Å²	12	79.4 Å²	79.4	5%	0.053	44%	0.439	C	S	.	.	S	Bend	trans	-101	156.8	170.5	-69.2	-70.2	0	0	0	111.3	L6 G7 Q9 T139 R142 Q143 A209	L6-F11 CarbonylContact C-O 3.52Å; L6-F11 WeakPolarHBondContact CA-O 3.47Å; G7-F11 WeakPolarHBondContact CA-O 3.49Å; G7-F11 PolarHBondContact N-O 3.47Å; Q9-F11 HydrophobicContact CB-CD2 4.18Å; Q9-F11 HydrophobicContact CB-CE2 4.42Å; F11-T139 HydrophobicContact CE1-CG2 4.01Å; F11-T139 HydrophobicContact CZ-CG2 4.16Å; F11-R142 HydrophobicContact CB-CG 4.09Å; F11-R142 HydrophobicContact CD1-CB 3.91Å; F11-R142 HydrophobicContact CD1-CG 3.29Å; F11-R142 HydrophobicContact CD2-CG 4.33Å; F11-R142 HydrophobicContact CE1-CB 3.87Å; F11-R142 HydrophobicContact CE1-CG 3.69Å; F11-R142 HydrophobicContact CG-CG 3.64Å; F11-R142 HydrophobicContact CZ-CG 4.37Å; F11-Q143 HydrophobicContact CD1-CG 4.11Å; F11-Q143 VanDerWaalsContact CD1-NE2 3.34Å; F11-Q143 HydrophobicContact CE1-CG 4.14Å; F11-A209 VanDerWaalsContact CZ-O 3.27Å; F11-A209 WeakPolarHBondContact CZ-O 3.47Å
12	P	97.6	Very high	80.7	Confident	24 Å²	24	67.9 Å²	67.9	16%	0.156	38%	0.383	C	S	.	.	B	Isolated β-bridge	trans	-54.6	140.2	172.1	-25.9	35.8	0	0	0	112.1
13	E	97.6	Very high	83.6	Confident	138 Å²	138	59 Å²	59	65%	0.645	34%	0.342	S	S	*	.	P	Polyproline II helix	trans	-60.7	138.5	174.6	-172.3	176	-172.5	0	0	111.4	G5 G147	G5-E13 PolarHBondContact O-N 3.4Å; E13-G147 VanDerWaalsContact O-CA 3.29Å; E13-G147 WeakPolarHBondContact O-CA 3.29Å
14	L	98.4	Very high	86.3	Confident	40 Å²	40	60 Å²	60	21%	0.209	33%	0.325	C	S	.	.	P	Polyproline II helix	trans	-75.7	130.3	-177.2	-175.2	67.6	0	0	0	110.7	N16 D17 L20 V149 P150	L14-N16 WeakPolarHBondContact CD1-O 3.32Å; L14-D17 HydrophobicContact CD2-CB 3.49Å; L14-D17 VanDerWaalsContact CD2-CB 3.49Å; L14-D17 HydrophobicContact CG-CB 4.18Å; L14-L20 HydrophobicContact CD2-CD1 3.57Å; L14-V149 VanDerWaalsContact CD1-C 3.47Å; L14-P150 HydrophobicContact CD1-CG 4.13Å; L14-P150 HydrophobicContact CD2-CG 4.06Å
15	K	98.5	Very high	88.7	Confident	172 Å²	172	54.2 Å²	54.2	75%	0.748	30%	0.299	S	S	*	.	S	Bend	trans	-97.8	-43.8	-176	-60.8	179	-179.5	179.3	0	113	G147	K15-G147 WeakPolarHBondContact CB-O 3.38Å; K15-G147 PolarHBondContact N-O 2.86Å
16	N	98.6	Very high	90.8	Very high	35 Å²	35	56.2 Å²	56.2	19%	0.187	29%	0.293	C	S	.	.			trans	-113	110.6	171.4	178	10	0	0	0	108.4	L14 T18 Y30 D79 R148 V149 P150	L14-N16 WeakPolarHBondContact CD1-O 3.32Å; N16-T18 VanDerWaalsContact OD1-CB 3.27Å; N16-T18 WeakPolarHBondContact OD1-CB 3.39Å; N16-T18 PolarHBondContact OD1-N 3.36Å; N16-T18 VanDerWaalsContact OD1-N 3.1Å; N16-T18 PolarHBondContact OD1-OG1 2.75Å; N16-Y30 PolarHBondContact ND2-OH 3.44Å; N16-Y30 PolarHBondContact OD1-OH 3.06Å; N16-D79 PolarHBondContact ND2-OD1 3.49Å; N16-R148 WeakPolarHBondContact CB-O 3.36Å; N16-R148 PolarHBondContact N-O 3.36Å; N16-V149 HydrophobicContact CB-CG1 4.2Å; N16-P150 WeakPolarHBondContact O-CD 3.24Å
17	D	98.7	Very high	92.9	Very high	67 Å²	67	58 Å²	58	36%	0.358	30%	0.299	S	S	.	.			trans	-109.8	9.2	179.4	72.7	-11.8	0	0	0	113.1	L14 F19 L20 R21	L14-D17 HydrophobicContact CD2-CB 3.49Å; L14-D17 VanDerWaalsContact CD2-CB 3.49Å; L14-D17 HydrophobicContact CG-CB 4.18Å; D17-F19 PolarHBondContact O-N 3.29Å; D17-F19 VanDerWaalsContact O-N 3.12Å; D17-L20 WeakPolarHBondContact O-CA 3.33Å; D17-L20 PolarHBondContact O-N 2.9Å; D17-R21 PolarHBondContact O-N 3.08Å; D17-R21 WeakPolarHBondContact OD1-CD 3.49Å; D17-R21 IonicContact OD1-NE 2.76Å; D17-R21 PolarHBondContact OD1-NE 3.3Å; D17-R21 VanDerWaalsContact OD1-NE 3.1Å; D17-R21 WeakPolarHBondContact OD2-CD 3.38Å; D17-R21 IonicContact OD2-NE 2.59Å
18	T	98.9	Very high	94.6	Very high	9 Å²	9	57.4 Å²	57.4	6%	0.055	29%	0.292	C	S	.	.	H	α-helix	trans	-53.8	-39.7	-173.3	-55	0	0	0	0	112.1	N16 A22 T28 Y30 P32	N16-T18 VanDerWaalsContact OD1-CB 3.27Å; N16-T18 WeakPolarHBondContact OD1-CB 3.39Å; N16-T18 PolarHBondContact OD1-N 3.36Å; N16-T18 VanDerWaalsContact OD1-N 3.1Å; N16-T18 PolarHBondContact OD1-OG1 2.75Å; T18-A22 WeakPolarHBondContact O-CB 3.46Å; T18-A22 PolarHBondContact O-N 3.25Å; T18-T28 HydrophobicContact CG2-CG2 3.9Å; T18-Y30 HydrophobicContact CG2-CD1 4.33Å; T18-Y30 HydrophobicContact CG2-CE1 3.93Å; T18-Y30 HydrophobicContact CG2-CE2 4.17Å; T18-Y30 PolarHBondContact OG1-OH 3.44Å; T18-P32 HydrophobicContact CG2-CB 4Å; T18-P32 HydrophobicContact CG2-CG 4.2Å
19	F	98.9	Very high	96.6	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-59.8	-45	173.7	170.2	-93.9	0	0	0	113.1	D17 A23 P32 W34 D79 A80 P150 I152 A213 I259 I334	D17-F19 PolarHBondContact O-N 3.29Å; D17-F19 VanDerWaalsContact O-N 3.12Å; F19-A23 WeakPolarHBondContact O-CB 3.49Å; F19-A23 PolarHBondContact O-N 2.84Å; F19-P32 HydrophobicContact CB-CB 4.2Å; F19-W34 AromaticContact CE2-CD1 3.72Å; F19-W34 AromaticContact CE2-NE1 3.51Å; F19-D79 HydrophobicContact CB-CB 4.49Å; F19-D79 WeakPolarHBondContact CB-O 3.35Å; F19-A80 HydrophobicContact CB-CB 4.41Å; F19-A80 HydrophobicContact CD1-CB 4.22Å; F19-A80 HydrophobicContact CD2-CB 4.06Å; F19-A80 HydrophobicContact CE2-CB 4.4Å; F19-A80 HydrophobicContact CG-CB 3.96Å; F19-P150 HydrophobicContact CB-CG 4.29Å; F19-P150 HydrophobicContact CD1-CB 4.23Å; F19-P150 HydrophobicContact CD1-CG 4.13Å; F19-I152 HydrophobicContact CE1-CD1 4.13Å; F19-I152 HydrophobicContact CE1-CG1 4.01Å; F19-I152 HydrophobicContact CE2-CD1 4.06Å; F19-I152 HydrophobicContact CZ-CD1 3.62Å; F19-I152 HydrophobicContact CZ-CG1 3.95Å; F19-A213 HydrophobicContact CE1-CB 3.72Å; F19-A213 HydrophobicContact CZ-CB 4.33Å; F19-I259 HydrophobicContact CZ-CD1 3.94Å; F19-I334 HydrophobicContact CD2-CD1 4Å; F19-I334 HydrophobicContact CD2-CG2 3.93Å; F19-I334 HydrophobicContact CE2-CD1 3.8Å; F19-I334 HydrophobicContact CE2-CG2 4Å
20	L	98.9	Very high	98	Very high	26 Å²	26	54 Å²	54	14%	0.136	27%	0.269	C	S	.	.	H	α-helix	trans	-68.9	-43.1	-179.2	-62.5	178.5	0	0	0	111.3	L14 D17 A23 W24 P150 Q212 A213 P257	L14-L20 HydrophobicContact CD2-CD1 3.57Å; D17-L20 WeakPolarHBondContact O-CA 3.33Å; D17-L20 PolarHBondContact O-N 2.9Å; L20-A23 WeakPolarHBondContact O-CB 3.5Å; L20-A23 PolarHBondContact O-N 3.12Å; L20-A23 VanDerWaalsContact O-N 3.17Å; L20-W24 PolarHBondContact O-N 2.78Å; L20-P150 HydrophobicContact CD1-CB 4.19Å; L20-P150 HydrophobicContact CD1-CG 4.02Å; L20-P150 HydrophobicContact CD2-CB 4.05Å; L20-P150 HydrophobicContact CD2-CG 4.26Å; L20-P150 HydrophobicContact CG-CB 3.99Å; L20-P150 HydrophobicContact CG-CG 3.69Å; L20-Q212 HydrophobicContact CD1-CB 4.39Å; L20-Q212 HydrophobicContact CD2-CB 4.41Å; L20-Q212 WeakPolarHBondContact CD2-O 3.06Å; L20-A213 HydrophobicContact CD2-CB 4.26Å; L20-P257 HydrophobicContact CD2-CG 3.86Å
21	R	98.8	Very high	98.5	Very high	50 Å²	50	52.4 Å²	52.4	19%	0.189	25%	0.253	C	S	.	.	H	α-helix	trans	-60.8	-46.6	176.9	-63.9	-169.2	-52.9	107.8	0.1	111.1	D17 A23 W24 G25 E26 E27 T28	D17-R21 PolarHBondContact O-N 3.08Å; D17-R21 WeakPolarHBondContact OD1-CD 3.49Å; D17-R21 IonicContact OD1-NE 2.76Å; D17-R21 PolarHBondContact OD1-NE 3.3Å; D17-R21 VanDerWaalsContact OD1-NE 3.1Å; D17-R21 WeakPolarHBondContact OD2-CD 3.38Å; D17-R21 IonicContact OD2-NE 2.59Å; R21-A23 VanDerWaalsContact C-N 3.32Å; R21-A23 PolarHBondContact O-N 3.02Å; R21-W24 CarbonylContact O-C 3.35Å; R21-W24 PolarHBondContact O-N 3.41Å; R21-G25 PolarHBondContact O-N 3.41Å; R21-G25 VanDerWaalsContact O-N 3.14Å; R21-E26 HydrophobicContact CB-CB 4.06Å; R21-E26 WeakPolarHBondContact CB-OE2 3.47Å; R21-E26 WeakPolarHBondContact CD-OE2 3.42Å; R21-E26 VanDerWaalsContact CG-OE2 3.31Å; R21-E26 WeakPolarHBondContact CG-OE2 3.33Å; R21-E26 WeakPolarHBondContact O-CB 3.44Å; R21-E26 PolarHBondContact O-N 3.36Å; R21-E27 PolarHBondContact NH1-O 2.86Å; R21-T28 HydrophobicContact CB-CG2 4.1Å
22	A	98.8	Very high	98.6	Very high	2 Å²	2	51.9 Å²	51.9	2%	0.017	25%	0.25	C	S	.	.	H	α-helix	trans	-60.9	-39.9	173.8	0	0	0	0	0	112.3	T18 W24 G25 T28 P32 T300 I334	T18-A22 WeakPolarHBondContact O-CB 3.46Å; T18-A22 PolarHBondContact O-N 3.25Å; A22-W24 VanDerWaalsContact C-N 3.33Å; A22-W24 PolarHBondContact O-N 3.1Å; A22-G25 WeakPolarHBondContact O-CA 3.48Å; A22-G25 PolarHBondContact O-N 3.02Å; A22-T28 HydrophobicContact CB-CG2 4.16Å; A22-P32 HydrophobicContact CB-CG 3.54Å; A22-T300 WeakPolarHBondContact O-CB 3.27Å; A22-T300 WeakPolarHBondContact O-CG2 3.48Å; A22-T300 PolarHBondContact O-OG1 3.1Å; A22-I334 HydrophobicContact CB-CD1 4.41Å; A22-I334 HydrophobicContact CB-CG1 3.82Å
23	A	98.9	Very high	98.6	Very high	2 Å²	2	50.7 Å²	50.7	2%	0.017	24%	0.243	C	C	.	.	H	α-helix	trans	-62.7	-38.7	177.3	0	0	0	0	0	112.3	F19 L20 R21 G25 P257 V279 I334	F19-A23 WeakPolarHBondContact O-CB 3.49Å; F19-A23 PolarHBondContact O-N 2.84Å; L20-A23 WeakPolarHBondContact O-CB 3.5Å; L20-A23 PolarHBondContact O-N 3.12Å; L20-A23 VanDerWaalsContact O-N 3.17Å; R21-A23 VanDerWaalsContact C-N 3.32Å; R21-A23 PolarHBondContact O-N 3.02Å; A23-G25 PolarHBondContact O-N 3.43Å; A23-P257 HydrophobicContact CB-CB 3.76Å; A23-P257 HydrophobicContact CB-CG 4Å; A23-V279 HydrophobicContact CB-CG2 3.79Å; A23-I334 HydrophobicContact CB-CD1 3.95Å
24	W	98.8	Very high	98.7	Very high	118 Å²	118	44.1 Å²	44.1	45%	0.447	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-1.3	173.3	-69.1	118.8	0	0	0	114.2	L20 R21 A22 P257 E278	L20-W24 PolarHBondContact O-N 2.78Å; R21-W24 CarbonylContact O-C 3.35Å; R21-W24 PolarHBondContact O-N 3.41Å; A22-W24 VanDerWaalsContact C-N 3.33Å; A22-W24 PolarHBondContact O-N 3.1Å; W24-P257 HydrophobicContact CD2-CB 4.38Å; W24-P257 HydrophobicContact CZ2-CB 4.03Å; W24-P257 HydrophobicContact CZ2-CG 4.32Å; W24-E278 HydrophobicContact CD2-CG 4.28Å; W24-E278 HydrophobicContact CE3-CG 3.45Å; W24-E278 VanDerWaalsContact CE3-CG 3.45Å; W24-E278 HydrophobicContact CH2-CG 3.86Å; W24-E278 VanDerWaalsContact CZ3-CD 3.47Å; W24-E278 HydrophobicContact CZ3-CG 3.21Å; W24-E278 WeakPolarHBondContact CZ3-OE1 3.31Å
25	G	98.4	Very high	98.7	Very high	20 Å²	20	42.2 Å²	42.2	21%	0.206	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.6	16.5	176.9	0	0	0	0	0	114.3	R21 A22 A23	R21-G25 PolarHBondContact O-N 3.41Å; R21-G25 VanDerWaalsContact O-N 3.14Å; A22-G25 WeakPolarHBondContact O-CA 3.48Å; A22-G25 PolarHBondContact O-N 3.02Å; A23-G25 PolarHBondContact O-N 3.43Å
26	E	98.6	Very high	98.7	Very high	99 Å²	99	34.4 Å²	34.4	46%	0.463	17%	0.168	S	C	.	.			trans	-73.8	159.3	172.5	-60.4	173.5	-159.1	0	0	111.3	R21	R21-E26 HydrophobicContact CB-CB 4.06Å; R21-E26 WeakPolarHBondContact CB-OE2 3.47Å; R21-E26 WeakPolarHBondContact CD-OE2 3.42Å; R21-E26 VanDerWaalsContact CG-OE2 3.31Å; R21-E26 WeakPolarHBondContact CG-OE2 3.33Å; R21-E26 WeakPolarHBondContact O-CB 3.44Å; R21-E26 PolarHBondContact O-N 3.36Å
27	E	97.8	Very high	98.7	Very high	133 Å²	133	39.2 Å²	39.2	62%	0.621	18%	0.184	S	C	*	.			trans	-78.1	141.7	174.4	-170.5	153.1	-126.7	0	0	111.1	R21 Q331	R21-E27 PolarHBondContact NH1-O 2.86Å; E27-Q331 PolarHBondContact OE1-NE2 2.71Å
28	T	98.5	Very high	98.7	Very high	8 Å²	8	36 Å²	36	5%	0.049	17%	0.167	C	C	.	.			trans	-132.7	154.3	-174.6	59.8	0	0	0	0	111.2	T18 R21 A22 Y30 R365	T18-T28 HydrophobicContact CG2-CG2 3.9Å; R21-T28 HydrophobicContact CB-CG2 4.1Å; A22-T28 HydrophobicContact CB-CG2 4.16Å; T28-Y30 WeakPolarHBondContact CB-O 3.21Å; T28-Y30 PolarHBondContact O-N 3.28Å; T28-Y30 PolarHBondContact OG1-O 3.33Å; T28-R365 WeakPolarHBondContact O-CD 3.49Å; T28-R365 PolarHBondContact O-NE 2.73Å; T28-R365 PolarHBondContact OG1-NH2 2.95Å
29	D	98.3	Very high	98.7	Very high	122 Å²	122	36.3 Å²	36.3	65%	0.652	17%	0.17	S	C	*	.	S	Bend	trans	-68.5	-21.1	-179.9	-59.7	-23.7	0	0	0	113.4	R365	D29-R365 WeakPolarHBondContact O-CD 3.15Å
30	Y	98.8	Very high	98.6	Very high	23 Å²	23	36.7 Å²	36.7	9%	0.09	17%	0.174	C	C	.	.	S	Bend	trans	-154.4	165.1	176.8	67.5	-81.1	0	0	0	109.8	N16 T18 T28 D79 H358	N16-Y30 PolarHBondContact ND2-OH 3.44Å; N16-Y30 PolarHBondContact OD1-OH 3.06Å; T18-Y30 HydrophobicContact CG2-CD1 4.33Å; T18-Y30 HydrophobicContact CG2-CE1 3.93Å; T18-Y30 HydrophobicContact CG2-CE2 4.17Å; T18-Y30 PolarHBondContact OG1-OH 3.44Å; T28-Y30 WeakPolarHBondContact CB-O 3.21Å; T28-Y30 PolarHBondContact O-N 3.28Å; T28-Y30 PolarHBondContact OG1-O 3.33Å; Y30-D79 VanDerWaalsContact CE2-OD1 3.31Å; Y30-D79 WeakPolarHBondContact CE2-OD1 3.41Å; Y30-D79 PolarHBondContact OH-OD1 3.19Å; Y30-H358 AromaticContact CD2-CD2 3.64Å; Y30-H358 AromaticContact CE2-CD2 3.72Å; Y30-H358 AromaticContact CE2-NE2 3.56Å
31	T	98.9	Very high	98.5	Very high	1 Å²	1	42 Å²	42	1%	0.006	19%	0.192	C	C	.	.			trans	-80.9	121.3	176.7	-63	0	0	0	0	109.2	Y333 A335 V357 S361 R365	T31-Y333 HydrophobicContact CG2-CD1 3.57Å; T31-Y333 HydrophobicContact CG2-CE1 3.78Å; T31-Y333 HydrophobicContact CG2-CG 4.4Å; T31-A335 HydrophobicContact CG2-CB 3.98Å; T31-V357 HydrophobicContact CG2-CG1 4.21Å; T31-S361 VanDerWaalsContact CB-CB 3.48Å; T31-S361 PolarHBondContact N-OG 3.36Å; T31-S361 VanDerWaalsContact OG1-CB 3.29Å; T31-S361 WeakPolarHBondContact OG1-CB 3.45Å; T31-R365 PolarHBondContact OG1-NH1 2.83Å; T31-R365 VanDerWaalsContact OG1-NH1 3.15Å; T31-R365 PolarHBondContact OG1-NH2 3.38Å
32	P	98.9	Very high	98.5	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	18%	0.184	C	C	.	.			trans	-71.2	148	177.7	29.4	-33.4	0	0	0	111.2	T18 F19 A22 D79 I334 A335	T18-P32 HydrophobicContact CG2-CB 4Å; T18-P32 HydrophobicContact CG2-CG 4.2Å; F19-P32 HydrophobicContact CB-CB 4.2Å; A22-P32 HydrophobicContact CB-CG 3.54Å; P32-D79 VanDerWaalsContact CA-OD2 3.29Å; P32-D79 WeakPolarHBondContact CA-OD2 3.46Å; P32-D79 HydrophobicContact CB-CB 3.7Å; P32-I334 HydrophobicContact CG-CG1 4.09Å; P32-I334 HydrophobicContact CG-CG2 4.38Å; P32-A335 PolarHBondContact O-N 2.78Å
33	V	98.9	Very high	98.5	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	18%	0.183	C	C	.	.	B	Isolated β-bridge	trans	-133.4	138.4	-179.3	64.8	0	0	0	0	112.5	D79 A335 F353 V354 V357	V33-D79 PolarHBondContact N-OD2 3.06Å; V33-D79 PolarHBondContact O-N 3.03Å; V33-A335 WeakPolarHBondContact CA-O 3.36Å; V33-A335 HydrophobicContact CB-CB 4.05Å; V33-A335 HydrophobicContact CG2-CB 3.97Å; V33-F353 HydrophobicContact CG2-CD1 4.17Å; V33-F353 HydrophobicContact CG2-CE1 3.37Å; V33-F353 HydrophobicContact CG2-CZ 3.82Å; V33-V354 HydrophobicContact CG1-CB 4.33Å; V33-V354 HydrophobicContact CG1-CG1 3.86Å; V33-V354 HydrophobicContact CG1-CG2 4.29Å; V33-V357 HydrophobicContact CB-CB 4.24Å; V33-V357 HydrophobicContact CB-CG1 3.97Å; V33-V357 HydrophobicContact CB-CG2 4.45Å; V33-V357 HydrophobicContact CG1-CB 4.39Å; V33-V357 HydrophobicContact CG1-CG1 4.39Å; V33-V357 HydrophobicContact CG2-CB 4.44Å; V33-V357 HydrophobicContact CG2-CG2 4.15Å
34	W	98.9	Very high	98.4	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	20%	0.202	C	C	.	.			trans	-145.1	167.6	165.1	70.5	-76.1	0	0	0	109.2	F19 M36 A80 I82 I152 A335 N336	F19-W34 AromaticContact CE2-CD1 3.72Å; F19-W34 AromaticContact CE2-NE1 3.51Å; W34-M36 HydrophobicContact CH2-CG 4.01Å; W34-M36 HydrophobicContact CZ3-CG 4.1Å; W34-A80 HydrophobicContact CB-CB 4.1Å; W34-A80 HydrophobicContact CG-CB 4.25Å; W34-I82 HydrophobicContact CE3-CG2 4.31Å; W34-I82 HydrophobicContact CH2-CD1 3.99Å; W34-I82 HydrophobicContact CZ3-CB 4.16Å; W34-I82 HydrophobicContact CZ3-CD1 3.8Å; W34-I82 HydrophobicContact CZ3-CG2 4.04Å; W34-I152 HydrophobicContact CD2-CD1 3.86Å; W34-I152 HydrophobicContact CE3-CD1 4.22Å; W34-I152 HydrophobicContact CG-CD1 4.35Å; W34-I152 HydrophobicContact CH2-CD1 4.27Å; W34-I152 HydrophobicContact CZ2-CD1 3.9Å; W34-I152 HydrophobicContact CZ3-CD1 4.42Å; W34-A335 PolarHBondContact N-O 3.18Å; W34-N336 VanDerWaalsContact CZ2-ND2 3.32Å; W34-N336 WeakPolarHBondContact CZ2-ND2 3.39Å; W34-N336 PolarHBondContact NE1-ND2 2.98Å; W34-N336 WeakPolarHBondContact O-CA 3.32Å; W34-N336 PolarHBondContact O-ND2 2.91Å; W34-N336 VanDerWaalsContact O-ND2 3.15Å; W34-N336 PolarHBondContact O-OD1 2.77Å
35	C	98.9	Very high	98.4	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.189	C	C	.	.			trans	-123	128.8	-177.6	-62.9	0	0	0	0	111.4	R37 Q38 N336 L341 F353	C35-R37 PolarHBondContact O-N 3.43Å; C35-Q38 HydrophobicContact CB-CB 4.1Å; C35-Q38 VanDerWaalsContact N-OE1 3.13Å; C35-Q38 VanDerWaalsContact O-CB 3.3Å; C35-Q38 WeakPolarHBondContact O-CB 3.45Å; C35-Q38 WeakPolarHBondContact O-CG 3.31Å; C35-Q38 PolarHBondContact O-N 3.5Å; C35-Q38 PolarHBondContact O-OE1 3.44Å; C35-N336 WeakPolarHBondContact CA-OD1 3.27Å; C35-L341 HydrophobicContact CB-CD1 4.07Å; C35-F353 VanDerWaalsContact SG-CE1 3.57Å
36	M	98.7	Very high	98.4	Very high	8 Å²	8	38.6 Å²	38.6	4%	0.039	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	130.6	165.5	-75.8	-175.4	-81.9	0	0	109.9	W34 Q38 F217 F261 N336 L337 H339 G340 L341	W34-M36 HydrophobicContact CH2-CG 4.01Å; W34-M36 HydrophobicContact CZ3-CG 4.1Å; M36-Q38 VanDerWaalsContact C-N 3.3Å; M36-Q38 PolarHBondContact O-N 2.82Å; M36-F217 HydrophobicContact CG-CE1 4.39Å; M36-F217 HydrophobicContact SD-CE1 3.9Å; M36-F261 HydrophobicContact CE-CE1 4.41Å; M36-F261 HydrophobicContact CE-CE2 4.06Å; M36-F261 HydrophobicContact CE-CZ 3.97Å; M36-F261 HydrophobicContact SD-CD1 4.19Å; M36-F261 HydrophobicContact SD-CE1 3.97Å; M36-F261 HydrophobicContact SD-CZ 4.14Å; M36-N336 PolarHBondContact N-OD1 3.05Å; M36-L337 WeakPolarHBondContact CE-O 3.25Å; M36-H339 VanDerWaalsContact CE-CA 3.49Å; M36-G340 VanDerWaalsContact O-CA 3.28Å; M36-G340 WeakPolarHBondContact O-CA 3.33Å; M36-L341 PolarHBondContact O-N 3.4Å
37	R	98.4	Very high	98.2	Very high	135 Å²	135	40.6 Å²	40.6	51%	0.509	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.9	29.4	-173	-54.8	-176.9	174.7	-166.7	-4.7	115	C35 A39 G40 L341	C35-R37 PolarHBondContact O-N 3.43Å; R37-A39 CarbonylContact O-C 3.59Å; R37-A39 PolarHBondContact O-N 3.27Å; R37-G40 PolarHBondContact O-N 3.47Å; R37-L341 HydrophobicContact CB-CB 4.44Å
38	Q	98.4	Very high	98.2	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.005	19%	0.19	C	C	.	.	S	Bend	trans	-53.5	-33.4	169.1	60.9	-171.3	58.2	0	0	113.1	C35 M36 G40 Y42 L43 P72 L78 A80 I82	C35-Q38 HydrophobicContact CB-CB 4.1Å; C35-Q38 VanDerWaalsContact N-OE1 3.13Å; C35-Q38 VanDerWaalsContact O-CB 3.3Å; C35-Q38 WeakPolarHBondContact O-CB 3.45Å; C35-Q38 WeakPolarHBondContact O-CG 3.31Å; C35-Q38 PolarHBondContact O-N 3.5Å; C35-Q38 PolarHBondContact O-OE1 3.44Å; M36-Q38 VanDerWaalsContact C-N 3.3Å; M36-Q38 PolarHBondContact O-N 2.82Å; Q38-G40 PolarHBondContact O-N 2.82Å; Q38-Y42 VanDerWaalsContact O-CE1 3.25Å; Q38-Y42 WeakPolarHBondContact O-CE1 3.42Å; Q38-Y42 PolarHBondContact O-OH 3.25Å; Q38-Y42 VanDerWaalsContact O-OH 3.08Å; Q38-L43 WeakPolarHBondContact O-CD1 3.32Å; Q38-P72 HydrophobicContact CB-CB 3.93Å; Q38-P72 HydrophobicContact CB-CG 4.05Å; Q38-P72 HydrophobicContact CG-CB 4.27Å; Q38-P72 HydrophobicContact CG-CG 3.88Å; Q38-P72 WeakPolarHBondContact O-CB 3.36Å; Q38-L78 HydrophobicContact CB-CD1 4.25Å; Q38-A80 PolarHBondContact NE2-O 2.92Å; Q38-A80 VanDerWaalsContact NE2-O 3.14Å; Q38-I82 HydrophobicContact CG-CG2 4.05Å
39	A	98.4	Very high	97.9	Very high	14 Å²	14	42.9 Å²	42.9	12%	0.116	20%	0.198	C	C	.	.	S	Bend	trans	-88.8	95.3	163.5	0	0	0	0	0	108.3	R37 F46 L68 P72 F84	R37-A39 CarbonylContact O-C 3.59Å; R37-A39 PolarHBondContact O-N 3.27Å; A39-F46 HydrophobicContact CB-CD2 4.48Å; A39-F46 HydrophobicContact CB-CE2 4.45Å; A39-F46 WeakPolarHBondContact O-CE2 3.27Å; A39-L68 VanDerWaalsContact CB-O 3.24Å; A39-L68 WeakPolarHBondContact CB-O 3.28Å; A39-P72 HydrophobicContact CB-CG 4.48Å; A39-F84 HydrophobicContact CB-CD2 4.29Å
40	G	97.4	Very high	97.6	Very high	8 Å²	8	39.3 Å²	39.3	8%	0.082	18%	0.175	C	C	.	.	S	Bend	trans	-159.5	172.4	-171.7	0	0	0	0	0	115	R37 Q38 Y42 L43 F46	R37-G40 PolarHBondContact O-N 3.47Å; Q38-G40 PolarHBondContact O-N 2.82Å; G40-Y42 PolarHBondContact O-N 2.89Å; G40-L43 PolarHBondContact O-N 3.26Å; G40-F46 VanDerWaalsContact C-CD1 3.41Å; G40-F46 VanDerWaalsContact C-CG 3.45Å; G40-F46 VanDerWaalsContact O-CB 3.24Å; G40-F46 WeakPolarHBondContact O-CB 3.43Å; G40-F46 VanDerWaalsContact O-CG 3.24Å; G40-F46 WeakPolarHBondContact O-CG 3.44Å
41	R	96.9	Very high	97.3	Very high	137 Å²	137	42.3 Å²	42.3	52%	0.517	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-17.3	-171.8	-72.1	172.1	-73.5	177.6	-1	115.4	L43 F46 R47 P343	R41-L43 PolarHBondContact O-N 2.96Å; R41-F46 HydrophobicContact CG-CD1 4.11Å; R41-F46 HydrophobicContact CG-CE1 3.77Å; R41-R47 HydrophobicContact CB-CG 4.43Å; R41-R47 WeakPolarHBondContact O-CD 3.38Å; R41-R47 PolarHBondContact O-NE 2.79Å; R41-R47 VanDerWaalsContact O-NE 3.13Å; R41-P343 HydrophobicContact CB-CB 3.78Å; R41-P343 HydrophobicContact CB-CG 4.34Å
42	Y	98.4	Very high	96.7	Very high	6 Å²	6	45.7 Å²	45.7	2%	0.024	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-28.3	173.7	82.4	-81.9	0	0	0	111.6	Q38 G40 P44 F76 L341 P343 P347 V350	Q38-Y42 VanDerWaalsContact O-CE1 3.25Å; Q38-Y42 WeakPolarHBondContact O-CE1 3.42Å; Q38-Y42 PolarHBondContact O-OH 3.25Å; Q38-Y42 VanDerWaalsContact O-OH 3.08Å; G40-Y42 PolarHBondContact O-N 2.89Å; Y42-P44 WeakPolarHBondContact O-CD 3.34Å; Y42-F76 HydrophobicContact CE2-CE2 4.35Å; Y42-L341 HydrophobicContact CD1-CB 4.27Å; Y42-L341 HydrophobicContact CD1-CD1 3.98Å; Y42-L341 HydrophobicContact CE1-CB 4.49Å; Y42-L341 HydrophobicContact CE1-CD1 3.43Å; Y42-L341 VanDerWaalsContact CE1-CD1 3.43Å; Y42-L341 HydrophobicContact CE2-CD1 4.3Å; Y42-P343 WeakPolarHBondContact CA-O 3.28Å; Y42-P347 HydrophobicContact CD2-CB 4.3Å; Y42-P347 HydrophobicContact CD2-CG 3.96Å; Y42-P347 HydrophobicContact CE2-CB 4.24Å; Y42-P347 HydrophobicContact CE2-CG 4.35Å; Y42-V350 HydrophobicContact CD2-CG2 4.13Å; Y42-V350 HydrophobicContact CE2-CB 4.23Å; Y42-V350 HydrophobicContact CE2-CG2 3.68Å
43	L	98.6	Very high	96.1	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.249	C	C	.	.	S	Bend	trans	-78.9	125.8	172.6	-62.1	178.9	0	0	0	110.8	Q38 G40 R41 E45 F46 R47 Q71 P72 F76 P347	Q38-L43 WeakPolarHBondContact O-CD1 3.32Å; G40-L43 PolarHBondContact O-N 3.26Å; R41-L43 PolarHBondContact O-N 2.96Å; L43-E45 HydrophobicContact CB-CG 4.36Å; L43-E45 PolarHBondContact O-N 2.87Å; L43-F46 HydrophobicContact CB-CB 3.79Å; L43-F46 WeakPolarHBondContact O-CB 3.34Å; L43-F46 PolarHBondContact O-N 3.24Å; L43-R47 PolarHBondContact O-N 3.24Å; L43-Q71 HydrophobicContact CD1-CB 4.29Å; L43-P72 HydrophobicContact CD1-CB 4.37Å; L43-F76 HydrophobicContact CD2-CE2 4.37Å; L43-P347 HydrophobicContact CD2-CB 4.16Å; L43-P347 HydrophobicContact CD2-CG 4.16Å
44	P	98.2	Very high	95.7	Very high	63 Å²	63	53.9 Å²	53.9	41%	0.409	28%	0.275	S	S	.	.	H	α-helix	trans	-56	-46.1	171.8	-26	35.2	0	0	0	113.1	Y42 F46 R47 E48	Y42-P44 WeakPolarHBondContact O-CD 3.34Å; P44-F46 VanDerWaalsContact C-N 3.27Å; P44-F46 PolarHBondContact O-N 3.49Å; P44-R47 WeakPolarHBondContact O-CB 3.41Å; P44-R47 PolarHBondContact O-N 2.92Å; P44-E48 PolarHBondContact O-N 3Å
45	E	98.3	Very high	95.3	Very high	40 Å²	40	55.2 Å²	55.2	19%	0.187	28%	0.281	C	S	.	.	H	α-helix	trans	-65	-28.2	-179.1	61.7	-88.1	-155.7	0	0	113.4	L43 T49 Q71 R75	L43-E45 HydrophobicContact CB-CG 4.36Å; L43-E45 PolarHBondContact O-N 2.87Å; E45-T49 WeakPolarHBondContact O-CB 3.38Å; E45-T49 PolarHBondContact O-N 2.98Å; E45-T49 PolarHBondContact O-OG1 3.23Å; E45-Q71 HydrophobicContact CG-CB 4.24Å; E45-Q71 HydrophobicContact CG-CG 3.91Å; E45-Q71 PolarHBondContact O-NE2 3.38Å; E45-R75 IonicContact OE1-CZ 2.68Å; E45-R75 IonicContact OE1-NE 3.74Å; E45-R75 PolarHBondContact OE1-NE 3.32Å; E45-R75 IonicContact OE1-NH2 3.52Å; E45-R75 PolarHBondContact OE1-NH2 2.68Å; E45-R75 IonicContact OE2-CZ 2.65Å; E45-R75 IonicContact OE2-NE 2.67Å; E45-R75 IonicContact OE2-NH2 2.67Å; E45-R75 PolarHBondContact OE2-NH2 3.19Å
46	F	97.9	Very high	95.1	Very high	13 Å²	13	55.7 Å²	55.7	6%	0.057	28%	0.283	C	S	.	.	H	α-helix	trans	-65.2	-45	172.3	176.1	-82.3	0	0	0	110.4	A39 G40 R41 L43 P44 T49 R50 L68 Q71 F84	A39-F46 HydrophobicContact CB-CD2 4.48Å; A39-F46 HydrophobicContact CB-CE2 4.45Å; A39-F46 WeakPolarHBondContact O-CE2 3.27Å; G40-F46 VanDerWaalsContact C-CD1 3.41Å; G40-F46 VanDerWaalsContact C-CG 3.45Å; G40-F46 VanDerWaalsContact O-CB 3.24Å; G40-F46 WeakPolarHBondContact O-CB 3.43Å; G40-F46 VanDerWaalsContact O-CG 3.24Å; G40-F46 WeakPolarHBondContact O-CG 3.44Å; R41-F46 HydrophobicContact CG-CD1 4.11Å; R41-F46 HydrophobicContact CG-CE1 3.77Å; L43-F46 HydrophobicContact CB-CB 3.79Å; L43-F46 WeakPolarHBondContact O-CB 3.34Å; L43-F46 PolarHBondContact O-N 3.24Å; P44-F46 VanDerWaalsContact C-N 3.27Å; P44-F46 PolarHBondContact O-N 3.49Å; F46-T49 PolarHBondContact O-N 2.57Å; F46-R50 HydrophobicContact CD1-CG 3.94Å; F46-R50 HydrophobicContact CE1-CB 4.44Å; F46-R50 HydrophobicContact CE1-CG 3.54Å; F46-R50 HydrophobicContact CE2-CG 4.32Å; F46-R50 HydrophobicContact CG-CG 4.5Å; F46-R50 HydrophobicContact CZ-CG 3.73Å; F46-R50 VanDerWaalsContact O-CB 3.23Å; F46-R50 WeakPolarHBondContact O-CB 3.29Å; F46-R50 VanDerWaalsContact O-CG 3.32Å; F46-R50 WeakPolarHBondContact O-CG 3.48Å; F46-R50 PolarHBondContact O-N 3.2Å; F46-L68 HydrophobicContact CB-CD2 4.5Å; F46-L68 HydrophobicContact CD2-CD2 3.61Å; F46-L68 HydrophobicContact CE2-CD1 4.28Å; F46-L68 HydrophobicContact CE2-CD2 4.02Å; F46-L68 HydrophobicContact CG-CD2 4.17Å; F46-Q71 VanDerWaalsContact CA-OE1 3.22Å; F46-F84 AromaticContact CE2-CD2 3.98Å; F46-F84 HydrophobicContact CE2-CD2 3.98Å; F46-F84 AromaticContact CE2-CE2 3.52Å; F46-F84 HydrophobicContact CE2-CE2 3.52Å; F46-F84 HydrophobicContact CE2-CZ 4.31Å; F46-F84 AromaticContact CZ-CE2 3.7Å; F46-F84 HydrophobicContact CZ-CE2 3.7Å; F46-F84 HydrophobicContact CZ-CZ 4.23Å
47	R	95.1	Very high	94.9	Very high	140 Å²	140	57.7 Å²	57.7	53%	0.528	30%	0.297	S	S	.	.	H	α-helix	trans	-65	-41.7	179.3	-69.9	-178.9	-80.1	169.5	-8.1	111.2	R41 L43 P44 R50 A51	R41-R47 HydrophobicContact CB-CG 4.43Å; R41-R47 WeakPolarHBondContact O-CD 3.38Å; R41-R47 PolarHBondContact O-NE 2.79Å; R41-R47 VanDerWaalsContact O-NE 3.13Å; L43-R47 PolarHBondContact O-N 3.24Å; P44-R47 WeakPolarHBondContact O-CB 3.41Å; P44-R47 PolarHBondContact O-N 2.92Å; R47-R50 PolarHBondContact O-N 2.96Å; R47-A51 PolarHBondContact O-N 2.99Å
48	E	96.6	Very high	94.7	Very high	153 Å²	153	51.2 Å²	51.2	72%	0.715	27%	0.273	S	S	*	.	H	α-helix	trans	-59.8	-50	175.7	-174.8	176.5	-177.6	0	0	111.4	P44 R50 A51	P44-E48 PolarHBondContact O-N 3Å; E48-R50 PolarHBondContact O-N 2.84Å; E48-A51 WeakPolarHBondContact O-CB 3.37Å; E48-A51 PolarHBondContact O-N 2.93Å
49	T	93.1	Very high	94.6	Very high	37 Å²	37	51.2 Å²	51.2	23%	0.227	27%	0.273	C	S	.	.	H	α-helix	trans	-62.9	-42.2	178.6	-53.3	0	0	0	0	111.5	E45 F46 A51 A52 E67 L68 Q71	E45-T49 WeakPolarHBondContact O-CB 3.38Å; E45-T49 PolarHBondContact O-N 2.98Å; E45-T49 PolarHBondContact O-OG1 3.23Å; F46-T49 PolarHBondContact O-N 2.57Å; T49-A51 VanDerWaalsContact C-N 3.28Å; T49-A51 PolarHBondContact O-N 3.17Å; T49-A52 PolarHBondContact O-N 2.79Å; T49-E67 HydrophobicContact CG2-CG 4.21Å; T49-L68 HydrophobicContact CG2-CD2 3.67Å; T49-L68 HydrophobicContact CG2-CG 4.06Å; T49-Q71 PolarHBondContact OG1-NE2 2.67Å
50	R	92.4	Very high	94.5	Very high	46 Å²	46	56.1 Å²	56.1	17%	0.174	29%	0.289	C	S	.	.	H	α-helix	trans	-70	-19	178.9	-80.9	-70.1	-58.5	106.4	18.4	114.2	F46 R47 E48 A52 Q53 D54 F55 T58 L68	F46-R50 HydrophobicContact CD1-CG 3.94Å; F46-R50 HydrophobicContact CE1-CB 4.44Å; F46-R50 HydrophobicContact CE1-CG 3.54Å; F46-R50 HydrophobicContact CE2-CG 4.32Å; F46-R50 HydrophobicContact CG-CG 4.5Å; F46-R50 HydrophobicContact CZ-CG 3.73Å; F46-R50 VanDerWaalsContact O-CB 3.23Å; F46-R50 WeakPolarHBondContact O-CB 3.29Å; F46-R50 VanDerWaalsContact O-CG 3.32Å; F46-R50 WeakPolarHBondContact O-CG 3.48Å; F46-R50 PolarHBondContact O-N 3.2Å; R47-R50 PolarHBondContact O-N 2.96Å; E48-R50 PolarHBondContact O-N 2.84Å; R50-A52 PolarHBondContact O-N 3.37Å; R50-Q53 PolarHBondContact NH1-O 2.94Å; R50-D54 PolarHBondContact NH1-O 3.46Å; R50-F55 VanDerWaalsContact CZ-CA 3.48Å; R50-F55 VanDerWaalsContact NH2-CA 3.33Å; R50-T58 PolarHBondContact NH1-OG1 2.96Å; R50-L68 HydrophobicContact CG-CD1 4.28Å; R50-L68 HydrophobicContact CG-CD2 4.47Å
51	A	90.8	Very high	94.6	Very high	86 Å²	86	57.7 Å²	57.7	71%	0.711	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-18.8	178	0	0	0	0	0	112.6	R47 E48 T49	R47-A51 PolarHBondContact O-N 2.99Å; E48-A51 WeakPolarHBondContact O-CB 3.37Å; E48-A51 PolarHBondContact O-N 2.93Å; T49-A51 VanDerWaalsContact C-N 3.28Å; T49-A51 PolarHBondContact O-N 3.17Å
52	A	87.1	Confident	94.6	Very high	73 Å²	73	52.5 Å²	52.5	60%	0.603	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-26.8	-176.5	0	0	0	0	0	114.4	T49 R50	T49-A52 PolarHBondContact O-N 2.79Å; R50-A52 PolarHBondContact O-N 3.37Å
53	Q	87.6	Confident	94.6	Very high	70 Å²	70	56.7 Å²	56.7	33%	0.327	30%	0.302	S	S	.	.	S	Bend	trans	-143.2	164.4	178.1	-47.9	90.2	21.7	0	0	112.1	R50 T58	R50-Q53 PolarHBondContact NH1-O 2.94Å; Q53-T58 PolarHBondContact OE1-OG1 3.38Å
54	D	90.1	Very high	94.6	Very high	101 Å²	101	57.2 Å²	57.2	54%	0.54	31%	0.307	S	S	.	.			trans	-65	164.9	165.2	72.5	85.7	0	0	0	111.4	R50 F56 S57 T58	R50-D54 PolarHBondContact NH1-O 3.46Å; D54-F56 PolarHBondContact O-N 3.36Å; D54-F56 PolarHBondContact OD1-N 2.92Å; D54-F56 VanDerWaalsContact OD1-N 3.16Å; D54-S57 VanDerWaalsContact CG-CB 3.49Å; D54-S57 PolarHBondContact O-N 3.14Å; D54-S57 PolarHBondContact OD1-N 3.41Å; D54-S57 WeakPolarHBondContact OD2-CB 3.37Å; D54-T58 PolarHBondContact O-N 2.96Å; D54-T58 PolarHBondContact O-OG1 3.4Å
55	F	91.1	Very high	94.6	Very high	28 Å²	28	54.3 Å²	54.3	12%	0.123	29%	0.287	C	S	.	.	H	α-helix	trans	-60.5	-46.5	-170.3	-178.4	-98.3	0	0	0	113.8	R50 T58 C59 F84 D86 M100	R50-F55 VanDerWaalsContact CZ-CA 3.48Å; R50-F55 VanDerWaalsContact NH2-CA 3.33Å; F55-T58 PolarHBondContact O-N 3.45Å; F55-C59 PolarHBondContact O-N 3.17Å; F55-C59 PolarHBondContact O-SG 2.84Å; F55-F84 HydrophobicContact CD2-CZ 4.41Å; F55-F84 AromaticContact CE2-CZ 3.81Å; F55-F84 HydrophobicContact CE2-CZ 3.81Å; F55-F84 HydrophobicContact CZ-CZ 4.48Å; F55-D86 HydrophobicContact CE1-CB 3.51Å; F55-D86 HydrophobicContact CZ-CB 3.71Å; F55-D86 WeakPolarHBondContact CZ-OD2 3.49Å; F55-M100 HydrophobicContact CB-CB 4.14Å; F55-M100 HydrophobicContact CB-CE 4.32Å; F55-M100 HydrophobicContact CB-CG 4.07Å; F55-M100 HydrophobicContact CD1-CE 3.52Å; F55-M100 HydrophobicContact CE1-CE 3.86Å; F55-M100 HydrophobicContact CG-CE 3.9Å
56	F	92.7	Very high	94.7	Very high	11 Å²	11	52.4 Å²	52.4	5%	0.048	28%	0.279	C	S	.	.	H	α-helix	trans	-76.7	-28.6	-178.3	-74	-73.9	0	0	0	111.9	D54 C59 R60 L88 V89 V98 M100	D54-F56 PolarHBondContact O-N 3.36Å; D54-F56 PolarHBondContact OD1-N 2.92Å; D54-F56 VanDerWaalsContact OD1-N 3.16Å; F56-C59 PolarHBondContact O-N 2.93Å; F56-R60 VanDerWaalsContact O-CG 3.29Å; F56-R60 WeakPolarHBondContact O-CG 3.34Å; F56-R60 PolarHBondContact O-N 3.01Å; F56-R60 VanDerWaalsContact O-N 3.09Å; F56-L88 HydrophobicContact CZ-CB 4.28Å; F56-V89 HydrophobicContact CE1-CG1 4.47Å; F56-V98 HydrophobicContact CE2-CB 3.78Å; F56-V98 HydrophobicContact CE2-CG1 3.61Å; F56-V98 HydrophobicContact CZ-CB 3.84Å; F56-V98 HydrophobicContact CZ-CG1 3.59Å; F56-M100 HydrophobicContact CE2-CE 4.38Å
57	S	94.4	Very high	94.7	Very high	49 Å²	49	54.7 Å²	54.7	34%	0.343	29%	0.29	S	S	.	.	H	α-helix	trans	-63.1	-44	168.2	179.5	0	0	0	0	112	D54 C59 R60 S61	D54-S57 VanDerWaalsContact CG-CB 3.49Å; D54-S57 PolarHBondContact O-N 3.14Å; D54-S57 PolarHBondContact OD1-N 3.41Å; D54-S57 WeakPolarHBondContact OD2-CB 3.37Å; S57-C59 PolarHBondContact O-N 2.69Å; S57-R60 PolarHBondContact O-N 2.98Å; S57-R60 VanDerWaalsContact O-N 3.12Å; S57-S61 PolarHBondContact O-N 3.14Å
58	T	95.3	Very high	94.9	Very high	0 Å²	0	48 Å²	48	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-58.9	-46.3	171.4	-63.9	0	0	0	0	111.3	R50 Q53 D54 F55 R60 S61 A64 C65 L68 F84	R50-T58 PolarHBondContact NH1-OG1 2.96Å; Q53-T58 PolarHBondContact OE1-OG1 3.38Å; D54-T58 PolarHBondContact O-N 2.96Å; D54-T58 PolarHBondContact O-OG1 3.4Å; F55-T58 PolarHBondContact O-N 3.45Å; T58-R60 PolarHBondContact O-N 2.92Å; T58-R60 VanDerWaalsContact O-N 3.13Å; T58-S61 PolarHBondContact O-N 3.17Å; T58-A64 HydrophobicContact CG2-CB 3.98Å; T58-C65 PolarHBondContact O-SG 3.24Å; T58-L68 HydrophobicContact CG2-CD1 3.59Å; T58-F84 HydrophobicContact CG2-CD1 4.48Å; T58-F84 HydrophobicContact CG2-CE1 3.85Å
59	C	95.8	Very high	95	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.007	23%	0.231	C	C	.	.	H	α-helix	trans	-58.5	-26.5	177.7	-68.8	0	0	0	0	113.3	F55 F56 S57 C65 Y133	F55-C59 PolarHBondContact O-N 3.17Å; F55-C59 PolarHBondContact O-SG 2.84Å; F56-C59 PolarHBondContact O-N 2.93Å; S57-C59 PolarHBondContact O-N 2.69Å; C59-C65 PolarHBondContact O-SG 3.38Å; C59-C65 VanDerWaalsContact O-SG 3.41Å; C59-Y133 WeakPolarHBondContact O-CD2 3.41Å; C59-Y133 WeakPolarHBondContact O-CE2 3.39Å
60	R	97.6	Very high	95.3	Very high	116 Å²	116	40.2 Å²	40.2	44%	0.438	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-2.6	178.7	-71.2	170.7	-177.8	-87.7	-3.4	113.9	F56 S57 T58 P62 Y133	F56-R60 VanDerWaalsContact O-CG 3.29Å; F56-R60 WeakPolarHBondContact O-CG 3.34Å; F56-R60 PolarHBondContact O-N 3.01Å; F56-R60 VanDerWaalsContact O-N 3.09Å; S57-R60 PolarHBondContact O-N 2.98Å; S57-R60 VanDerWaalsContact O-N 3.12Å; T58-R60 PolarHBondContact O-N 2.92Å; T58-R60 VanDerWaalsContact O-N 3.13Å; R60-P62 WeakPolarHBondContact O-CD 3.44Å; R60-Y133 HydrophobicContact CB-CD2 4.36Å; R60-Y133 HydrophobicContact CB-CG 4.39Å; R60-Y133 HydrophobicContact CG-CD1 4.09Å; R60-Y133 HydrophobicContact CG-CD2 3.99Å; R60-Y133 HydrophobicContact CG-CE1 4.08Å; R60-Y133 HydrophobicContact CG-CE2 3.96Å; R60-Y133 HydrophobicContact CG-CG 4.04Å
61	S	98.2	Very high	95.6	Very high	41 Å²	41	38.1 Å²	38.1	29%	0.287	22%	0.218	S	C	.	.			trans	-101.8	106.2	176.1	175.4	0	0	0	0	110.5	S57 T58 E63 A64 C65	S57-S61 PolarHBondContact O-N 3.14Å; T58-S61 PolarHBondContact O-N 3.17Å; S61-E63 VanDerWaalsContact C-N 3.3Å; S61-E63 PolarHBondContact O-N 3.05Å; S61-A64 PolarHBondContact O-N 2.67Å; S61-A64 VanDerWaalsContact O-N 3.14Å; S61-A64 PolarHBondContact OG-N 3.15Å; S61-C65 PolarHBondContact O-N 3.49Å; S61-C65 PolarHBondContact O-SG 2.76Å
62	P	98.4	Very high	96	Very high	28 Å²	28	34 Å²	34	18%	0.182	19%	0.185	C	C	.	.	H	α-helix	trans	-54.5	-42.2	-179.4	-30	37.6	0	0	0	113.9	R60 C66 Q136 A137 L140	R60-P62 WeakPolarHBondContact O-CD 3.44Å; P62-C66 VanDerWaalsContact O-CB 3.27Å; P62-C66 WeakPolarHBondContact O-CB 3.34Å; P62-C66 PolarHBondContact O-N 3.03Å; P62-Q136 HydrophobicContact CB-CB 4.14Å; P62-Q136 HydrophobicContact CG-CB 3.66Å; P62-A137 HydrophobicContact CB-CB 4.34Å; P62-L140 HydrophobicContact CB-CD2 4.08Å
63	E	98.3	Very high	96.5	Very high	95 Å²	95	31 Å²	31	44%	0.444	16%	0.158	S	C	.	.	H	α-helix	trans	-67.7	-39.4	179.1	-71.2	-72.9	179.8	0	0	111.8	S61 C66 E67 L140 R144	S61-E63 VanDerWaalsContact C-N 3.3Å; S61-E63 PolarHBondContact O-N 3.05Å; E63-C66 PolarHBondContact O-N 3.23Å; E63-E67 VanDerWaalsContact O-CB 3.32Å; E63-E67 WeakPolarHBondContact O-CB 3.34Å; E63-E67 PolarHBondContact O-N 3.35Å; E63-L140 HydrophobicContact CB-CD2 4.41Å; E63-L140 VanDerWaalsContact CD-CD2 3.43Å; E63-L140 HydrophobicContact CG-CD2 3.89Å; E63-R144 IonicContact OE1-CZ 3.36Å; E63-R144 IonicContact OE1-NH1 3.61Å; E63-R144 IonicContact OE1-NH2 3.6Å; E63-R144 PolarHBondContact OE1-NH2 3.44Å; E63-R144 IonicContact OE2-CZ 3.99Å; E63-R144 IonicContact OE2-NH1 3.53Å; E63-R144 PolarHBondContact OE2-NH1 3.01Å; E63-R144 IonicContact OE2-NH2 3.1Å; E63-R144 PolarHBondContact OE2-NH2 3.14Å
64	A	98.3	Very high	97.1	Very high	11 Å²	11	34.6 Å²	34.6	9%	0.091	17%	0.169	C	C	.	.	H	α-helix	trans	-67.5	-43.1	176.8	0	0	0	0	0	111.5	T58 S61 C66 E67 L68	T58-A64 HydrophobicContact CG2-CB 3.98Å; S61-A64 PolarHBondContact O-N 2.67Å; S61-A64 VanDerWaalsContact O-N 3.14Å; S61-A64 PolarHBondContact OG-N 3.15Å; A64-C66 VanDerWaalsContact C-N 3.33Å; A64-C66 PolarHBondContact O-N 3.36Å; A64-E67 PolarHBondContact O-N 3.19Å; A64-L68 WeakPolarHBondContact O-CB 3.45Å; A64-L68 VanDerWaalsContact O-CG 3.25Å; A64-L68 WeakPolarHBondContact O-CG 3.41Å; A64-L68 PolarHBondContact O-N 3.3Å
65	C	98.7	Very high	97.5	Very high	1 Å²	1	34.6 Å²	34.6	1%	0.007	16%	0.161	C	C	.	.	H	α-helix	trans	-61.5	-41.7	174.2	-68.4	0	0	0	0	112	T58 C59 S61 T69 F84 A137	T58-C65 PolarHBondContact O-SG 3.24Å; C59-C65 PolarHBondContact O-SG 3.38Å; C59-C65 VanDerWaalsContact O-SG 3.41Å; S61-C65 PolarHBondContact O-N 3.49Å; S61-C65 PolarHBondContact O-SG 2.76Å; C65-T69 WeakPolarHBondContact O-CB 3.45Å; C65-T69 PolarHBondContact O-N 3.5Å; C65-T69 PolarHBondContact O-OG1 3.27Å; C65-F84 HydrophobicContact CB-CD1 4.46Å; C65-A137 HydrophobicContact CB-CB 3.75Å
66	C	98.8	Very high	97.8	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.007	16%	0.158	C	C	.	.	H	α-helix	trans	-61.8	-50.3	175.7	-179.2	0	0	0	0	111.3	P62 E63 A64 L68 T69 L70 L140 T141	P62-C66 VanDerWaalsContact O-CB 3.27Å; P62-C66 WeakPolarHBondContact O-CB 3.34Å; P62-C66 PolarHBondContact O-N 3.03Å; E63-C66 PolarHBondContact O-N 3.23Å; A64-C66 VanDerWaalsContact C-N 3.33Å; A64-C66 PolarHBondContact O-N 3.36Å; C66-L68 PolarHBondContact O-N 2.83Å; C66-T69 WeakPolarHBondContact O-CB 3.32Å; C66-T69 PolarHBondContact O-N 3.14Å; C66-L70 VanDerWaalsContact O-CG 3.29Å; C66-L70 WeakPolarHBondContact O-CG 3.44Å; C66-L70 PolarHBondContact O-N 2.87Å; C66-L140 HydrophobicContact CB-CD2 3.86Å; C66-L140 HydrophobicContact CB-CG 4.05Å; C66-T141 VanDerWaalsContact CA-OG1 3.31Å; C66-T141 WeakPolarHBondContact CA-OG1 3.45Å; C66-T141 WeakPolarHBondContact CB-OG1 3.49Å
67	E	98.7	Very high	98.1	Very high	60 Å²	60	36.7 Å²	36.7	28%	0.28	18%	0.177	S	C	.	.	H	α-helix	trans	-54.6	-53.9	177.3	171.4	52	-147.4	0	0	111.6	T49 E63 A64 T69 L70 Q71 R74	T49-E67 HydrophobicContact CG2-CG 4.21Å; E63-E67 VanDerWaalsContact O-CB 3.32Å; E63-E67 WeakPolarHBondContact O-CB 3.34Å; E63-E67 PolarHBondContact O-N 3.35Å; A64-E67 PolarHBondContact O-N 3.19Å; E67-T69 VanDerWaalsContact C-N 3.28Å; E67-T69 PolarHBondContact O-N 3.27Å; E67-L70 PolarHBondContact O-N 2.92Å; E67-Q71 WeakPolarHBondContact O-CG 3.47Å; E67-Q71 PolarHBondContact O-N 3.5Å; E67-Q71 VanDerWaalsContact O-N 3.08Å; E67-Q71 WeakPolarHBondContact OE1-CG 3.39Å; E67-Q71 PolarHBondContact OE1-NE2 3.37Å; E67-Q71 VanDerWaalsContact OE1-NE2 3.08Å; E67-R74 IonicContact OE1-CZ 3.71Å; E67-R74 IonicContact OE1-NH1 3.77Å; E67-R74 PolarHBondContact OE1-NH1 3.48Å; E67-R74 IonicContact OE1-NH2 2.79Å; E67-R74 IonicContact OE2-CZ 3.47Å; E67-R74 IonicContact OE2-NH1 2.7Å; E67-R74 PolarHBondContact OE2-NH1 2.91Å; E67-R74 IonicContact OE2-NH2 3.9Å; E67-R74 PolarHBondContact OE2-NH2 3.29Å
68	L	98.8	Very high	98.3	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-59.8	-37.4	179	-68	176	0	0	0	112.5	A39 F46 T49 R50 T58 A64 C66 L70 P72 F84	A39-L68 VanDerWaalsContact CB-O 3.24Å; A39-L68 WeakPolarHBondContact CB-O 3.28Å; F46-L68 HydrophobicContact CB-CD2 4.5Å; F46-L68 HydrophobicContact CD2-CD2 3.61Å; F46-L68 HydrophobicContact CE2-CD1 4.28Å; F46-L68 HydrophobicContact CE2-CD2 4.02Å; F46-L68 HydrophobicContact CG-CD2 4.17Å; T49-L68 HydrophobicContact CG2-CD2 3.67Å; T49-L68 HydrophobicContact CG2-CG 4.06Å; R50-L68 HydrophobicContact CG-CD1 4.28Å; R50-L68 HydrophobicContact CG-CD2 4.47Å; T58-L68 HydrophobicContact CG2-CD1 3.59Å; A64-L68 WeakPolarHBondContact O-CB 3.45Å; A64-L68 VanDerWaalsContact O-CG 3.25Å; A64-L68 WeakPolarHBondContact O-CG 3.41Å; A64-L68 PolarHBondContact O-N 3.3Å; C66-L68 PolarHBondContact O-N 2.83Å; L68-L70 VanDerWaalsContact C-N 3.32Å; L68-L70 PolarHBondContact O-N 3.38Å; L68-P72 WeakPolarHBondContact O-CD 3.27Å; L68-F84 HydrophobicContact CB-CB 4.04Å; L68-F84 HydrophobicContact CB-CD1 4.38Å; L68-F84 HydrophobicContact CB-CD2 4.23Å; L68-F84 HydrophobicContact CB-CG 3.94Å; L68-F84 HydrophobicContact CD1-CD1 3.59Å; L68-F84 HydrophobicContact CD1-CD2 4.1Å; L68-F84 HydrophobicContact CD1-CE1 3.55Å; L68-F84 HydrophobicContact CD1-CE2 4.07Å; L68-F84 HydrophobicContact CD1-CG 3.87Å; L68-F84 HydrophobicContact CD1-CZ 3.79Å
69	T	98.9	Very high	98.5	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.006	16%	0.162	C	C	.	.	H	α-helix	trans	-65	-37.2	176.6	-57	0	0	0	0	111.9	C65 C66 E67 A81 I82 F84 T141 L151	C65-T69 WeakPolarHBondContact O-CB 3.45Å; C65-T69 PolarHBondContact O-N 3.5Å; C65-T69 PolarHBondContact O-OG1 3.27Å; C66-T69 WeakPolarHBondContact O-CB 3.32Å; C66-T69 PolarHBondContact O-N 3.14Å; E67-T69 VanDerWaalsContact C-N 3.28Å; E67-T69 PolarHBondContact O-N 3.27Å; T69-A81 HydrophobicContact CG2-CB 4.04Å; T69-I82 VanDerWaalsContact CG2-O 3.29Å; T69-I82 WeakPolarHBondContact CG2-O 3.36Å; T69-F84 PolarHBondContact OG1-N 2.91Å; T69-T141 HydrophobicContact CG2-CG2 3.61Å; T69-L151 HydrophobicContact CG2-CD1 4.2Å
70	L	98.9	Very high	98.6	Very high	26 Å²	26	34.5 Å²	34.5	14%	0.136	16%	0.162	C	C	.	.	H	α-helix	trans	-81.8	-24.6	-176	-66.9	176.9	0	0	0	113.6	C66 E67 L68 L73 R74 R144 L145	C66-L70 VanDerWaalsContact O-CG 3.29Å; C66-L70 WeakPolarHBondContact O-CG 3.44Å; C66-L70 PolarHBondContact O-N 2.87Å; E67-L70 PolarHBondContact O-N 2.92Å; L68-L70 VanDerWaalsContact C-N 3.32Å; L68-L70 PolarHBondContact O-N 3.38Å; L70-L73 WeakPolarHBondContact O-CB 3.24Å; L70-L73 PolarHBondContact O-N 3Å; L70-L73 VanDerWaalsContact O-N 3.09Å; L70-R74 PolarHBondContact O-N 2.92Å; L70-R144 HydrophobicContact CD1-CB 3.97Å; L70-L145 HydrophobicContact CD2-CD2 3.6Å; L70-L145 HydrophobicContact CD2-CG 3.89Å
71	Q	98.9	Very high	98.7	Very high	2 Å²	2	29 Å²	29	1%	0.009	14%	0.141	C	C	.	.	H	α-helix	trans	-47.4	-56	179.8	-77.9	170.3	0.7	0	0	114.4	L43 E45 F46 T49 E67 L73 R74	L43-Q71 HydrophobicContact CD1-CB 4.29Å; E45-Q71 HydrophobicContact CG-CB 4.24Å; E45-Q71 HydrophobicContact CG-CG 3.91Å; E45-Q71 PolarHBondContact O-NE2 3.38Å; F46-Q71 VanDerWaalsContact CA-OE1 3.22Å; T49-Q71 PolarHBondContact OG1-NE2 2.67Å; E67-Q71 WeakPolarHBondContact O-CG 3.47Å; E67-Q71 PolarHBondContact O-N 3.5Å; E67-Q71 VanDerWaalsContact O-N 3.08Å; E67-Q71 WeakPolarHBondContact OE1-CG 3.39Å; E67-Q71 PolarHBondContact OE1-NE2 3.37Å; E67-Q71 VanDerWaalsContact OE1-NE2 3.08Å; Q71-L73 PolarHBondContact O-N 3.47Å; Q71-R74 WeakPolarHBondContact O-CB 3.42Å; Q71-R74 PolarHBondContact O-N 3.24Å
72	P	98.9	Very high	98.7	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-62.5	-31.3	-179.7	21.8	-32.7	0	0	0	113.2	Q38 A39 L43 L68 R74 R75 F76 L78	Q38-P72 HydrophobicContact CB-CB 3.93Å; Q38-P72 HydrophobicContact CB-CG 4.05Å; Q38-P72 HydrophobicContact CG-CB 4.27Å; Q38-P72 HydrophobicContact CG-CG 3.88Å; Q38-P72 WeakPolarHBondContact O-CB 3.36Å; A39-P72 HydrophobicContact CB-CG 4.48Å; L43-P72 HydrophobicContact CD1-CB 4.37Å; L68-P72 WeakPolarHBondContact O-CD 3.27Å; P72-R74 PolarHBondContact O-N 3.42Å; P72-R75 PolarHBondContact O-N 2.92Å; P72-R75 VanDerWaalsContact O-N 3.15Å; P72-F76 HydrophobicContact CB-CD2 4.37Å; P72-F76 WeakPolarHBondContact O-CD2 3.31Å; P72-F76 PolarHBondContact O-N 2.68Å; P72-L78 HydrophobicContact CB-CD1 3.85Å
73	L	98.8	Very high	98.8	Very high	10 Å²	10	26.7 Å²	26.7	5%	0.052	12%	0.124	C	C	.	.	H	α-helix	trans	-73.8	-9.6	179.4	-81.6	-74.2	0	0	0	112.9	L70 Q71 L78 A81 R148 V149	L70-L73 WeakPolarHBondContact O-CB 3.24Å; L70-L73 PolarHBondContact O-N 3Å; L70-L73 VanDerWaalsContact O-N 3.09Å; Q71-L73 PolarHBondContact O-N 3.47Å; L73-L78 HydrophobicContact CD1-CB 4.1Å; L73-L78 HydrophobicContact CD2-CB 4.33Å; L73-L78 HydrophobicContact CD2-CD1 4Å; L73-A81 HydrophobicContact CD2-CB 4.23Å; L73-A81 HydrophobicContact CG-CB 4.47Å; L73-R148 PolarHBondContact O-NH1 3.42Å; L73-V149 HydrophobicContact CD1-CG2 3.72Å
74	R	98.8	Very high	98.8	Very high	144 Å²	144	23 Å²	23	54%	0.543	11%	0.106	S	C	.	.	H	α-helix	trans	-86.6	-26.2	170.9	-62.5	172.6	-169.5	149.6	3.4	112.1	E67 L70 Q71 P72	E67-R74 IonicContact OE1-CZ 3.71Å; E67-R74 IonicContact OE1-NH1 3.77Å; E67-R74 PolarHBondContact OE1-NH1 3.48Å; E67-R74 IonicContact OE1-NH2 2.79Å; E67-R74 IonicContact OE2-CZ 3.47Å; E67-R74 IonicContact OE2-NH1 2.7Å; E67-R74 PolarHBondContact OE2-NH1 2.91Å; E67-R74 IonicContact OE2-NH2 3.9Å; E67-R74 PolarHBondContact OE2-NH2 3.29Å; L70-R74 PolarHBondContact O-N 2.92Å; Q71-R74 WeakPolarHBondContact O-CB 3.42Å; Q71-R74 PolarHBondContact O-N 3.24Å; P72-R74 PolarHBondContact O-N 3.42Å
75	R	98.7	Very high	98.8	Very high	102 Å²	102	23 Å²	23	39%	0.385	11%	0.106	S	C	.	.	H	α-helix	trans	-91.1	-42.8	178.6	-69.9	-169	176.7	-111.1	2.2	112.5	E45 P72 E348	E45-R75 IonicContact OE1-CZ 2.68Å; E45-R75 IonicContact OE1-NE 3.74Å; E45-R75 PolarHBondContact OE1-NE 3.32Å; E45-R75 IonicContact OE1-NH2 3.52Å; E45-R75 PolarHBondContact OE1-NH2 2.68Å; E45-R75 IonicContact OE2-CZ 2.65Å; E45-R75 IonicContact OE2-NE 2.67Å; E45-R75 IonicContact OE2-NH2 2.67Å; E45-R75 PolarHBondContact OE2-NH2 3.19Å; P72-R75 PolarHBondContact O-N 2.92Å; P72-R75 VanDerWaalsContact O-N 3.15Å; R75-E348 IonicContact NH1-OE1 3.47Å
76	F	98.8	Very high	98.7	Very high	11 Å²	11	24.7 Å²	24.7	5%	0.048	12%	0.115	C	C	.	.	S	Bend	trans	-124.5	142.9	-166.4	-45.3	-62.3	0	0	0	111	Y42 L43 P72 L78 P347 V350 V354	Y42-F76 HydrophobicContact CE2-CE2 4.35Å; L43-F76 HydrophobicContact CD2-CE2 4.37Å; P72-F76 HydrophobicContact CB-CD2 4.37Å; P72-F76 WeakPolarHBondContact O-CD2 3.31Å; P72-F76 PolarHBondContact O-N 2.68Å; F76-L78 HydrophobicContact CB-CD1 4.03Å; F76-L78 HydrophobicContact CB-CG 3.87Å; F76-L78 HydrophobicContact CD2-CD1 4.24Å; F76-L78 PolarHBondContact O-N 3.06Å; F76-P347 WeakPolarHBondContact CE1-O 3.29Å; F76-P347 HydrophobicContact CZ-CB 4.14Å; F76-P347 WeakPolarHBondContact CZ-O 3.47Å; F76-V350 HydrophobicContact CD2-CG1 4.35Å; F76-V350 HydrophobicContact CE1-CB 4.44Å; F76-V350 HydrophobicContact CE2-CB 4.42Å; F76-V350 HydrophobicContact CE2-CG1 4.11Å; F76-V350 HydrophobicContact CZ-CB 4.09Å; F76-V350 HydrophobicContact CZ-CG1 4.25Å; F76-V354 HydrophobicContact CB-CG2 4.43Å
77	P	98.7	Very high	98.7	Very high	71 Å²	71	25.7 Å²	25.7	46%	0.461	12%	0.12	S	C	.	.			trans	-77.7	51.7	174.8	34.4	-36.1	0	0	0	111.8	V354 H358	P77-V354 HydrophobicContact CG-CG1 3.82Å; P77-H358 PolarHBondContact O-CE1 3.2Å; P77-H358 VanDerWaalsContact O-CE1 3.23Å
78	L	98.9	Very high	98.7	Very high	3 Å²	3	22.9 Å²	22.9	2%	0.016	11%	0.107	C	C	.	.			trans	-62.8	142.8	178.4	-66	155.1	0	0	0	110.8	Q38 P72 L73 F76 A80 V149 V354	Q38-L78 HydrophobicContact CB-CD1 4.25Å; P72-L78 HydrophobicContact CB-CD1 3.85Å; L73-L78 HydrophobicContact CD1-CB 4.1Å; L73-L78 HydrophobicContact CD2-CB 4.33Å; L73-L78 HydrophobicContact CD2-CD1 4Å; F76-L78 HydrophobicContact CB-CD1 4.03Å; F76-L78 HydrophobicContact CB-CG 3.87Å; F76-L78 HydrophobicContact CD2-CD1 4.24Å; F76-L78 PolarHBondContact O-N 3.06Å; L78-A80 VanDerWaalsContact C-N 3.35Å; L78-V149 WeakPolarHBondContact O-CG1 3.45Å; L78-V354 HydrophobicContact CD2-CG2 3.69Å; L78-V354 HydrophobicContact CG-CG2 4.42Å
79	D	98.9	Very high	98.7	Very high	1 Å²	1	23 Å²	23	1%	0.005	11%	0.107	C	C	.	.	S	Bend	trans	-88.1	-1.7	-175.8	-65.2	-70.3	0	0	0	114.1	N16 F19 Y30 P32 V33 P150 H358	N16-D79 PolarHBondContact ND2-OD1 3.49Å; F19-D79 HydrophobicContact CB-CB 4.49Å; F19-D79 WeakPolarHBondContact CB-O 3.35Å; Y30-D79 VanDerWaalsContact CE2-OD1 3.31Å; Y30-D79 WeakPolarHBondContact CE2-OD1 3.41Å; Y30-D79 PolarHBondContact OH-OD1 3.19Å; P32-D79 VanDerWaalsContact CA-OD2 3.29Å; P32-D79 WeakPolarHBondContact CA-OD2 3.46Å; P32-D79 HydrophobicContact CB-CB 3.7Å; V33-D79 PolarHBondContact N-OD2 3.06Å; V33-D79 PolarHBondContact O-N 3.03Å; D79-P150 VanDerWaalsContact O-CD 3.25Å; D79-P150 WeakPolarHBondContact O-CD 3.32Å; D79-H358 IonicContact OD1-NE2 3.93Å; D79-H358 IonicContact OD2-CD2 2.76Å; D79-H358 IonicContact OD2-CE1 2.78Å; D79-H358 IonicContact OD2-NE2 3.36Å; D79-H358 PolarHBondContact OD2-NE2 3.43Å
80	A	98.9	Very high	98.7	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.107	C	C	.	.			trans	-150.9	148.7	171.3	0	0	0	0	0	111	F19 W34 Q38 L78 I152	F19-A80 HydrophobicContact CB-CB 4.41Å; F19-A80 HydrophobicContact CD1-CB 4.22Å; F19-A80 HydrophobicContact CD2-CB 4.06Å; F19-A80 HydrophobicContact CE2-CB 4.4Å; F19-A80 HydrophobicContact CG-CB 3.96Å; W34-A80 HydrophobicContact CB-CB 4.1Å; W34-A80 HydrophobicContact CG-CB 4.25Å; Q38-A80 PolarHBondContact NE2-O 2.92Å; Q38-A80 VanDerWaalsContact NE2-O 3.14Å; L78-A80 VanDerWaalsContact C-N 3.35Å; A80-I152 HydrophobicContact CB-CD1 3.66Å; A80-I152 HydrophobicContact CB-CG1 4.16Å
81	A	98.9	Very high	98.6	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	146.6	163.2	0	0	0	0	0	109	T69 L73 L145 V149 P150 L151 I152	T69-A81 HydrophobicContact CG2-CB 4.04Å; L73-A81 HydrophobicContact CD2-CB 4.23Å; L73-A81 HydrophobicContact CG-CB 4.47Å; A81-L145 HydrophobicContact CB-CD1 3.93Å; A81-L145 HydrophobicContact CB-CD2 4.13Å; A81-V149 HydrophobicContact CB-CG2 4.43Å; A81-P150 PolarHBondContact N-O 3.33Å; A81-L151 HydrophobicContact CB-CD1 4Å; A81-L151 CarbonylContact O-C 2.97Å; A81-L151 WeakPolarHBondContact O-CA 3.43Å; A81-I152 WeakPolarHBondContact O-CB 3.41Å; A81-I152 PolarHBondContact O-N 2.84Å
82	I	98.9	Very high	98.6	Very high	17 Å²	17	23.2 Å²	23.2	9%	0.087	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	130.6	167.8	-176.4	168.7	0	0	0	108.2	W34 Q38 T69 F84 I152 F154 F217	W34-I82 HydrophobicContact CE3-CG2 4.31Å; W34-I82 HydrophobicContact CH2-CD1 3.99Å; W34-I82 HydrophobicContact CZ3-CB 4.16Å; W34-I82 HydrophobicContact CZ3-CD1 3.8Å; W34-I82 HydrophobicContact CZ3-CG2 4.04Å; Q38-I82 HydrophobicContact CG-CG2 4.05Å; T69-I82 VanDerWaalsContact CG2-O 3.29Å; T69-I82 WeakPolarHBondContact CG2-O 3.36Å; I82-F84 PolarHBondContact O-N 3.24Å; I82-I152 HydrophobicContact CB-CB 4.13Å; I82-I152 HydrophobicContact CD1-CG2 4.27Å; I82-I152 HydrophobicContact CG1-CB 4.14Å; I82-I152 HydrophobicContact CG1-CG2 4.18Å; I82-F154 HydrophobicContact CD1-CB 4.49Å; I82-F154 HydrophobicContact CD1-CD1 4.09Å; I82-F154 HydrophobicContact CD1-CG 4.38Å; I82-F154 HydrophobicContact CG1-CD1 4.05Å; I82-F217 HydrophobicContact CD1-CE2 4.38Å; I82-F217 HydrophobicContact CD1-CZ 4.23Å
83	I	98.9	Very high	98.6	Very high	4 Å²	4	23.5 Å²	23.5	2%	0.021	11%	0.11	C	C	.	.			trans	-57.2	136.9	-178.5	-171.6	65.1	0	0	0	110.3	S85 A137 I138 T141 L151 I152 F154	I83-S85 PolarHBondContact O-N 3.28Å; I83-A137 HydrophobicContact CD1-CB 4.21Å; I83-I138 HydrophobicContact CB-CG1 4.21Å; I83-I138 HydrophobicContact CD1-CG1 4.14Å; I83-I138 HydrophobicContact CG1-CG1 3.77Å; I83-I138 HydrophobicContact CG2-CG1 4.33Å; I83-T141 HydrophobicContact CD1-CG2 4.33Å; I83-T141 WeakPolarHBondContact CD1-OG1 3.48Å; I83-L151 HydrophobicContact CB-CD1 4.26Å; I83-I152 PolarHBondContact N-O 3.3Å; I83-F154 HydrophobicContact CG2-CD1 3.89Å; I83-F154 HydrophobicContact CG2-CE1 3.97Å; I83-F154 VanDerWaalsContact O-CE1 3.26Å; I83-F154 WeakPolarHBondContact O-CE1 3.26Å
84	F	98.7	Very high	98.6	Very high	17 Å²	17	23 Å²	23	8%	0.075	11%	0.108	C	C	.	.			trans	-73.6	117.9	169.2	-177.4	-94.1	0	0	0	109.9	A39 F46 F55 T58 C65 L68 T69 I82	A39-F84 HydrophobicContact CB-CD2 4.29Å; F46-F84 AromaticContact CE2-CD2 3.98Å; F46-F84 HydrophobicContact CE2-CD2 3.98Å; F46-F84 AromaticContact CE2-CE2 3.52Å; F46-F84 HydrophobicContact CE2-CE2 3.52Å; F46-F84 HydrophobicContact CE2-CZ 4.31Å; F46-F84 AromaticContact CZ-CE2 3.7Å; F46-F84 HydrophobicContact CZ-CE2 3.7Å; F46-F84 HydrophobicContact CZ-CZ 4.23Å; F55-F84 HydrophobicContact CD2-CZ 4.41Å; F55-F84 AromaticContact CE2-CZ 3.81Å; F55-F84 HydrophobicContact CE2-CZ 3.81Å; F55-F84 HydrophobicContact CZ-CZ 4.48Å; T58-F84 HydrophobicContact CG2-CD1 4.48Å; T58-F84 HydrophobicContact CG2-CE1 3.85Å; C65-F84 HydrophobicContact CB-CD1 4.46Å; L68-F84 HydrophobicContact CB-CB 4.04Å; L68-F84 HydrophobicContact CB-CD1 4.38Å; L68-F84 HydrophobicContact CB-CD2 4.23Å; L68-F84 HydrophobicContact CB-CG 3.94Å; L68-F84 HydrophobicContact CD1-CD1 3.59Å; L68-F84 HydrophobicContact CD1-CD2 4.1Å; L68-F84 HydrophobicContact CD1-CE1 3.55Å; L68-F84 HydrophobicContact CD1-CE2 4.07Å; L68-F84 HydrophobicContact CD1-CG 3.87Å; L68-F84 HydrophobicContact CD1-CZ 3.79Å; T69-F84 PolarHBondContact OG1-N 2.91Å; I82-F84 PolarHBondContact O-N 3.24Å
85	S	98	Very high	98.6	Very high	13 Å²	13	17.6 Å²	17.6	9%	0.091	10%	0.096	C	C	.	.			trans	-162.7	-165.4	173.5	-168.8	0	0	0	0	107.9	I83	I83-S85 PolarHBondContact O-N 3.28Å
86	D	97.6	Very high	98.6	Very high	35 Å²	35	13 Å²	13	19%	0.187	8%	0.08	C	C	.	.			trans	-139.2	151.2	173	-165.8	-86.5	0	0	0	111.3	F55 L88 V89	F55-D86 HydrophobicContact CE1-CB 3.51Å; F55-D86 HydrophobicContact CZ-CB 3.71Å; F55-D86 WeakPolarHBondContact CZ-OD2 3.49Å; D86-L88 PolarHBondContact O-N 3.09Å; D86-L88 VanDerWaalsContact OD1-CB 3.24Å; D86-L88 WeakPolarHBondContact OD1-CB 3.35Å; D86-L88 VanDerWaalsContact OD1-CG 3.25Å; D86-L88 WeakPolarHBondContact OD1-CG 3.29Å; D86-L88 PolarHBondContact OD1-N 3.48Å; D86-V89 HydrophobicContact CB-CG1 4.5Å; D86-V89 WeakPolarHBondContact O-CG1 3.49Å; D86-V89 WeakPolarHBondContact O-CG2 3.47Å; D86-V89 PolarHBondContact O-N 3.15Å
87	I	98.1	Very high	98.5	Very high	23 Å²	23	19.3 Å²	19.3	12%	0.118	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-26	178.7	64.5	172.5	0	0	0	112.3	V89 F154 T160 L161 Y164	I87-V89 PolarHBondContact O-N 3.39Å; I87-F154 HydrophobicContact CG2-CD2 4Å; I87-F154 HydrophobicContact CG2-CE2 3.7Å; I87-T160 HydrophobicContact CD1-CG2 3.97Å; I87-L161 HydrophobicContact CB-CD2 4.09Å; I87-L161 HydrophobicContact CD1-CD2 4.31Å; I87-L161 HydrophobicContact CG1-CD2 4.24Å; I87-L161 WeakPolarHBondContact O-CD2 3.31Å; I87-Y164 HydrophobicContact CD1-CD2 4.35Å; I87-Y164 HydrophobicContact CD1-CE2 3.86Å
88	L	98.4	Very high	98.4	Very high	1 Å²	1	16.6 Å²	16.6	1%	0.005	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-3.8	-175.5	-57.2	-177.9	0	0	0	113.7	F56 D86 V90 P91 Q92 V98 P106 F108 Y164	F56-L88 HydrophobicContact CZ-CB 4.28Å; D86-L88 PolarHBondContact O-N 3.09Å; D86-L88 VanDerWaalsContact OD1-CB 3.24Å; D86-L88 WeakPolarHBondContact OD1-CB 3.35Å; D86-L88 VanDerWaalsContact OD1-CG 3.25Å; D86-L88 WeakPolarHBondContact OD1-CG 3.29Å; D86-L88 PolarHBondContact OD1-N 3.48Å; L88-V90 PolarHBondContact O-N 2.91Å; L88-P91 HydrophobicContact CD2-CG 4.48Å; L88-P91 WeakPolarHBondContact O-CD 3.26Å; L88-Q92 WeakPolarHBondContact O-CB 3.44Å; L88-Q92 PolarHBondContact O-N 2.87Å; L88-Q92 VanDerWaalsContact O-N 3.08Å; L88-V98 HydrophobicContact CD1-CG1 4.22Å; L88-P106 HydrophobicContact CD1-CB 3.22Å; L88-P106 HydrophobicContact CD1-CG 3.5Å; L88-F108 HydrophobicContact CB-CZ 4.43Å; L88-F108 HydrophobicContact CD1-CE2 4.12Å; L88-F108 HydrophobicContact CD1-CZ 4.41Å; L88-F108 HydrophobicContact CD2-CE2 4.11Å; L88-F108 HydrophobicContact CD2-CZ 4.05Å; L88-Y164 HydrophobicContact CD1-CD1 4.32Å; L88-Y164 HydrophobicContact CD1-CE1 4.49Å; L88-Y164 HydrophobicContact CD2-CD1 4Å; L88-Y164 HydrophobicContact CD2-CD2 3.74Å; L88-Y164 HydrophobicContact CD2-CE2 4.3Å; L88-Y164 HydrophobicContact CD2-CG 3.57Å
89	V	98.6	Very high	98.1	Very high	1 Å²	1	19.6 Å²	19.6	1%	0.006	11%	0.11	C	C	.	.	H	α-helix	trans	-60.3	-29.6	171.4	-59.4	0	0	0	0	111.9	F56 D86 I87 Q92 A93 L131 Y133	F56-V89 HydrophobicContact CE1-CG1 4.47Å; D86-V89 HydrophobicContact CB-CG1 4.5Å; D86-V89 WeakPolarHBondContact O-CG1 3.49Å; D86-V89 WeakPolarHBondContact O-CG2 3.47Å; D86-V89 PolarHBondContact O-N 3.15Å; I87-V89 PolarHBondContact O-N 3.39Å; V89-Q92 PolarHBondContact O-N 3.19Å; V89-A93 VanDerWaalsContact O-CB 3.3Å; V89-A93 WeakPolarHBondContact O-CB 3.22Å; V89-A93 PolarHBondContact O-N 3.44Å; V89-L131 HydrophobicContact CB-CD2 3.8Å; V89-L131 HydrophobicContact CG2-CD1 4.47Å; V89-L131 HydrophobicContact CG2-CD2 3.85Å; V89-Y133 WeakPolarHBondContact CB-OH 3.25Å; V89-Y133 WeakPolarHBondContact CG1-OH 3.3Å
90	V	98.8	Very high	97.7	Very high	1 Å²	1	22.8 Å²	22.8	1%	0.006	13%	0.125	C	C	.	.	H	α-helix	trans	-70.6	-54	179	172.3	0	0	0	0	111.7	L88 Q92 A93 L94 L131 L161 L195 A198 L199 Y202	L88-V90 PolarHBondContact O-N 2.91Å; V90-Q92 PolarHBondContact O-N 2.88Å; V90-A93 PolarHBondContact O-N 3.31Å; V90-A93 VanDerWaalsContact O-N 3.15Å; V90-L94 HydrophobicContact CG1-CD1 4.29Å; V90-L94 PolarHBondContact O-N 2.92Å; V90-L131 HydrophobicContact CG2-CD1 4.04Å; V90-L161 HydrophobicContact CB-CD1 4.12Å; V90-L161 HydrophobicContact CG1-CD1 4.03Å; V90-L195 HydrophobicContact CG1-CD2 4.48Å; V90-A198 HydrophobicContact CG1-CB 4.3Å; V90-L199 HydrophobicContact CG1-CD2 4.43Å; V90-L199 HydrophobicContact CG2-CD2 4.1Å; V90-Y202 HydrophobicContact CG2-CD1 3.81Å; V90-Y202 HydrophobicContact CG2-CE1 3.89Å; V90-Y202 HydrophobicContact CG2-CG 4.49Å
91	P	98.7	Very high	97.1	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-52.2	-38.6	168.5	-30.1	34.3	0	0	0	114	L88 L94 G95 M96 F108 L161 M165	L88-P91 HydrophobicContact CD2-CG 4.48Å; L88-P91 WeakPolarHBondContact O-CD 3.26Å; P91-L94 WeakPolarHBondContact O-CB 3.4Å; P91-L94 PolarHBondContact O-N 3.01Å; P91-G95 PolarHBondContact O-N 2.88Å; P91-M96 PolarHBondContact O-N 2.85Å; P91-M96 VanDerWaalsContact O-N 3.1Å; P91-F108 HydrophobicContact CB-CE1 3.63Å; P91-F108 HydrophobicContact CB-CZ 3.73Å; P91-F108 HydrophobicContact CG-CZ 4.26Å; P91-L161 HydrophobicContact CG-CB 4.48Å; P91-L161 HydrophobicContact CG-CD2 4.15Å; P91-M165 HydrophobicContact CB-CG 3.91Å; P91-M165 HydrophobicContact CB-SD 4.24Å; P91-M165 HydrophobicContact CG-CG 3.96Å; P91-M165 HydrophobicContact CG-SD 4.09Å
92	Q	98.4	Very high	96.2	Very high	33 Å²	33	30.8 Å²	30.8	15%	0.154	18%	0.177	C	C	.	.	H	α-helix	trans	-64.6	-45.3	176.6	-171.2	179.2	71.6	0	0	112.1	L88 V89 V90 L94 G95 M96 V98	L88-Q92 WeakPolarHBondContact O-CB 3.44Å; L88-Q92 PolarHBondContact O-N 2.87Å; L88-Q92 VanDerWaalsContact O-N 3.08Å; V89-Q92 PolarHBondContact O-N 3.19Å; V90-Q92 PolarHBondContact O-N 2.88Å; Q92-L94 VanDerWaalsContact C-N 3.27Å; Q92-L94 PolarHBondContact O-N 3.22Å; Q92-G95 PolarHBondContact O-N 3.22Å; Q92-M96 WeakPolarHBondContact CA-O 3.32Å; Q92-V98 HydrophobicContact CB-CG2 4.01Å; Q92-V98 HydrophobicContact CG-CG2 4.44Å
93	A	98.4	Very high	95.2	Very high	6 Å²	6	34.5 Å²	34.5	5%	0.05	22%	0.219	C	C	.	.	H	α-helix	trans	-66.1	-28.8	175.5	0	0	0	0	0	112.6	V89 V90 G95 R122 V127 E130 L131	V89-A93 VanDerWaalsContact O-CB 3.3Å; V89-A93 WeakPolarHBondContact O-CB 3.22Å; V89-A93 PolarHBondContact O-N 3.44Å; V90-A93 PolarHBondContact O-N 3.31Å; V90-A93 VanDerWaalsContact O-N 3.15Å; A93-G95 PolarHBondContact O-N 2.75Å; A93-R122 WeakPolarHBondContact O-CD 3.42Å; A93-R122 PolarHBondContact O-NH1 2.59Å; A93-V127 HydrophobicContact CB-CG1 3.81Å; A93-E130 HydrophobicContact CB-CB 3.88Å; A93-L131 HydrophobicContact CB-CD1 4.2Å; A93-L131 HydrophobicContact CB-CD2 3.87Å; A93-L131 HydrophobicContact CB-CG 3.83Å
94	L	98.8	Very high	94.3	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-7.7	169.7	-76.8	167.8	0	0	0	113.5	V90 P91 Q92 L121 R122 V127 M165 I194 L195 A198	V90-L94 HydrophobicContact CG1-CD1 4.29Å; V90-L94 PolarHBondContact O-N 2.92Å; P91-L94 WeakPolarHBondContact O-CB 3.4Å; P91-L94 PolarHBondContact O-N 3.01Å; Q92-L94 VanDerWaalsContact C-N 3.27Å; Q92-L94 PolarHBondContact O-N 3.22Å; L94-L121 HydrophobicContact CB-CD2 4.37Å; L94-L121 CarbonylContact O-C 3.6Å; L94-L121 WeakPolarHBondContact O-CA 3.23Å; L94-R122 PolarHBondContact O-N 2.91Å; L94-V127 HydrophobicContact CD2-CG2 3.49Å; L94-V127 VanDerWaalsContact CD2-CG2 3.49Å; L94-V127 HydrophobicContact CG-CG2 3.81Å; L94-M165 HydrophobicContact CD1-CE 4.27Å; L94-I194 HydrophobicContact CD1-CG2 4.38Å; L94-I194 HydrophobicContact CD2-CG2 3.88Å; L94-L195 HydrophobicContact CD1-CD2 3.77Å; L94-A198 HydrophobicContact CD2-CB 4.33Å
95	G	98.3	Very high	93.7	Very high	30 Å²	30	43.3 Å²	43.3	31%	0.309	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	108.3	5.1	173	0	0	0	0	0	115	P91 Q92 A93	P91-G95 PolarHBondContact O-N 2.88Å; Q92-G95 PolarHBondContact O-N 3.22Å; A93-G95 PolarHBondContact O-N 2.75Å
96	M	98.6	Very high	93.4	Very high	7 Å²	7	44.2 Å²	44.2	3%	0.034	27%	0.269	C	S	.	.			trans	-84.3	137.2	174.8	-58.9	-170.6	73.5	0	0	111.6	P91 Q92 F108 L112 L121 M165	P91-M96 PolarHBondContact O-N 2.85Å; P91-M96 VanDerWaalsContact O-N 3.1Å; Q92-M96 WeakPolarHBondContact CA-O 3.32Å; M96-F108 HydrophobicContact CB-CD1 3.74Å; M96-F108 HydrophobicContact CB-CE1 3.83Å; M96-F108 HydrophobicContact CE-CB 4.43Å; M96-F108 HydrophobicContact CE-CD1 3.8Å; M96-F108 HydrophobicContact CE-CE1 4.43Å; M96-F108 HydrophobicContact CE-CG 4.37Å; M96-F108 HydrophobicContact SD-CD1 4.16Å; M96-F108 HydrophobicContact SD-CE1 4.21Å; M96-L112 HydrophobicContact CE-CD2 4.19Å; M96-L112 HydrophobicContact CE-CG 3.96Å; M96-L112 HydrophobicContact SD-CD1 4.47Å; M96-L112 HydrophobicContact SD-CD2 4.4Å; M96-L112 HydrophobicContact SD-CG 4.2Å; M96-L121 HydrophobicContact CG-CD2 3.9Å; M96-L121 HydrophobicContact SD-CD2 4.35Å; M96-M165 HydrophobicContact CE-CB 4.22Å; M96-M165 HydrophobicContact CG-CE 4.39Å; M96-M165 HydrophobicContact SD-CB 3.73Å; M96-M165 HydrophobicContact SD-CE 3.42Å; M96-M165 WeakPolarHBondContact SD-CE 3.43Å; M96-M165 HydrophobicContact SD-CG 3.57Å; M96-M165 VanDerWaalsContact SD-CG 3.57Å; M96-M165 HydrophobicContact SD-SD 4.33Å
97	E	97.4	Very high	93.3	Very high	142 Å²	142	44.5 Å²	44.5	66%	0.664	27%	0.273	S	S	*	.			trans	-74.2	136.8	171.3	-63.8	-156.5	149.1	0	0	111.1	F108 P109	E97-F108 VanDerWaalsContact O-CD1 3.3Å; E97-F108 WeakPolarHBondContact O-CD1 3.41Å; E97-P109 HydrophobicContact CB-CG 4.4Å; E97-P109 WeakPolarHBondContact O-CD 3.21Å
98	V	96	Very high	93.3	Very high	14 Å²	14	43.6 Å²	43.6	9%	0.085	27%	0.269	C	S	.	.			trans	-130	126.4	177.8	-162	0	0	0	0	108.8	F56 L88 Q92 P106 F108	F56-V98 HydrophobicContact CE2-CB 3.78Å; F56-V98 HydrophobicContact CE2-CG1 3.61Å; F56-V98 HydrophobicContact CZ-CB 3.84Å; F56-V98 HydrophobicContact CZ-CG1 3.59Å; L88-V98 HydrophobicContact CD1-CG1 4.22Å; Q92-V98 HydrophobicContact CB-CG2 4.01Å; Q92-V98 HydrophobicContact CG-CG2 4.44Å; V98-P106 HydrophobicContact CG1-CB 4.34Å; V98-F108 HydrophobicContact CB-CE1 4.39Å; V98-F108 HydrophobicContact CG1-CE1 4.46Å; V98-F108 HydrophobicContact CG1-CE2 4.22Å; V98-F108 HydrophobicContact CG1-CZ 4.16Å; V98-F108 HydrophobicContact CG2-CD1 3.79Å; V98-F108 HydrophobicContact CG2-CE1 3.28Å; V98-F108 HydrophobicContact CG2-CE2 4.43Å; V98-F108 HydrophobicContact CG2-CZ 3.63Å
99	T	92.9	Very high	93.2	Very high	66 Å²	66	47 Å²	47	41%	0.405	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	144.5	174.5	63	0	0	0	0	109.8	P106 S107	T99-P106 CarbonylContact O-C 3.56Å; T99-P106 WeakPolarHBondContact O-CA 3.15Å; T99-S107 PolarHBondContact N-O 2.92Å; T99-S107 PolarHBondContact O-N 3.1Å; T99-S107 PolarHBondContact OG1-O 3.45Å
100	M	89.8	Confident	93.2	Very high	68 Å²	68	53.4 Å²	53.4	34%	0.335	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	103.5	172.6	-169.7	58.9	62.1	0	0	108.6	F55 F56 P102 P106	F55-M100 HydrophobicContact CB-CB 4.14Å; F55-M100 HydrophobicContact CB-CE 4.32Å; F55-M100 HydrophobicContact CB-CG 4.07Å; F55-M100 HydrophobicContact CD1-CE 3.52Å; F55-M100 HydrophobicContact CE1-CE 3.86Å; F55-M100 HydrophobicContact CG-CE 3.9Å; F56-M100 HydrophobicContact CE2-CE 4.38Å; M100-P102 WeakPolarHBondContact O-CD 3.38Å; M100-P106 HydrophobicContact CE-CB 3.92Å; M100-P106 HydrophobicContact CE-CG 4.48Å; M100-P106 HydrophobicContact SD-CB 4.38Å
101	V	87.7	Confident	93.2	Very high	48 Å²	48	54 Å²	54	29%	0.291	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	121.5	-177.3	-177.5	0	0	0	0	109.3	G103 K104 G105	V101-G103 PolarHBondContact O-N 3.24Å; V101-K104 HydrophobicContact CB-CB 4.06Å; V101-K104 HydrophobicContact CG1-CB 3.94Å; V101-K104 HydrophobicContact CG1-CD 3.94Å; V101-K104 HydrophobicContact CG1-CG 4.13Å; V101-K104 PolarHBondContact O-N 3.43Å; V101-G105 PolarHBondContact N-O 2.88Å; V101-G105 PolarHBondContact O-N 3.35Å
102	P	79.6	Confident	93.2	Very high	121 Å²	121	54 Å²	54	79%	0.786	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.4	126.6	-179.9	-28.3	35.8	0	0	0	112.2	M100 K104	M100-P102 WeakPolarHBondContact O-CD 3.38Å; P102-K104 PolarHBondContact O-N 3.04Å; P102-K104 VanDerWaalsContact O-N 3.11Å
103	G	78.2	Confident	93.2	Very high	94 Å²	94	59 Å²	59	97%	0.969	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.9	-11.4	-179.8	0	0	0	0	0	116.2	V101	V101-G103 PolarHBondContact O-N 3.24Å
104	K	80.1	Confident	93.2	Very high	185 Å²	185	63 Å²	63	80%	0.804	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.3	-21.2	-179.7	-60.1	-173.9	-176.5	177.9	0	113.8	V101 P102	V101-K104 HydrophobicContact CB-CB 4.06Å; V101-K104 HydrophobicContact CG1-CB 3.94Å; V101-K104 HydrophobicContact CG1-CD 3.94Å; V101-K104 HydrophobicContact CG1-CG 4.13Å; V101-K104 PolarHBondContact O-N 3.43Å; P102-K104 PolarHBondContact O-N 3.04Å; P102-K104 VanDerWaalsContact O-N 3.11Å
105	G	86.3	Confident	93.2	Very high	22 Å²	22	67.6 Å²	67.6	23%	0.227	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	90.7	-161.6	-179.5	0	0	0	0	0	112.8	V101	V101-G105 PolarHBondContact N-O 2.88Å; V101-G105 PolarHBondContact O-N 3.35Å
106	P	91.1	Very high	93.2	Very high	32 Å²	32	71.9 Å²	71.9	21%	0.208	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	141.7	-174.3	28.3	-33.9	0	0	0	112.3	L88 V98 T99 M100 Y164	L88-P106 HydrophobicContact CD1-CB 3.22Å; L88-P106 HydrophobicContact CD1-CG 3.5Å; V98-P106 HydrophobicContact CG1-CB 4.34Å; T99-P106 CarbonylContact O-C 3.56Å; T99-P106 WeakPolarHBondContact O-CA 3.15Å; M100-P106 HydrophobicContact CE-CB 3.92Å; M100-P106 HydrophobicContact CE-CG 4.48Å; M100-P106 HydrophobicContact SD-CB 4.38Å; P106-Y164 HydrophobicContact CG-CE1 4.19Å
107	S	95.6	Very high	93.2	Very high	40 Å²	40	73.1 Å²	73.1	28%	0.28	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	138.6	177.6	-174.5	0	0	0	0	111.7	T99 G168	T99-S107 PolarHBondContact N-O 2.92Å; T99-S107 PolarHBondContact O-N 3.1Å; T99-S107 PolarHBondContact OG1-O 3.45Å; S107-G168 CarbonylContact C-O 3.52Å; S107-G168 VanDerWaalsContact CA-O 3.27Å; S107-G168 WeakPolarHBondContact CA-O 3.5Å; S107-G168 PolarHBondContact OG-O 3.11Å
108	F	97.8	Very high	93.3	Very high	5 Å²	5	66.9 Å²	66.9	2%	0.022	37%	0.371	C	S	.	.			trans	-101.2	113.2	168.6	-59.6	-105.5	0	0	0	107.3	L88 P91 M96 E97 V98 E110 P111 G168	L88-F108 HydrophobicContact CB-CZ 4.43Å; L88-F108 HydrophobicContact CD1-CE2 4.12Å; L88-F108 HydrophobicContact CD1-CZ 4.41Å; L88-F108 HydrophobicContact CD2-CE2 4.11Å; L88-F108 HydrophobicContact CD2-CZ 4.05Å; P91-F108 HydrophobicContact CB-CE1 3.63Å; P91-F108 HydrophobicContact CB-CZ 3.73Å; P91-F108 HydrophobicContact CG-CZ 4.26Å; M96-F108 HydrophobicContact CB-CD1 3.74Å; M96-F108 HydrophobicContact CB-CE1 3.83Å; M96-F108 HydrophobicContact CE-CB 4.43Å; M96-F108 HydrophobicContact CE-CD1 3.8Å; M96-F108 HydrophobicContact CE-CE1 4.43Å; M96-F108 HydrophobicContact CE-CG 4.37Å; M96-F108 HydrophobicContact SD-CD1 4.16Å; M96-F108 HydrophobicContact SD-CE1 4.21Å; E97-F108 VanDerWaalsContact O-CD1 3.3Å; E97-F108 WeakPolarHBondContact O-CD1 3.41Å; V98-F108 HydrophobicContact CB-CE1 4.39Å; V98-F108 HydrophobicContact CG1-CE1 4.46Å; V98-F108 HydrophobicContact CG1-CE2 4.22Å; V98-F108 HydrophobicContact CG1-CZ 4.16Å; V98-F108 HydrophobicContact CG2-CD1 3.79Å; V98-F108 HydrophobicContact CG2-CE1 3.28Å; V98-F108 HydrophobicContact CG2-CE2 4.43Å; V98-F108 HydrophobicContact CG2-CZ 3.63Å; F108-E110 PolarHBondContact O-N 3.41Å; F108-P111 WeakPolarHBondContact O-CD 3.32Å; F108-G168 PolarHBondContact N-O 2.87Å
109	P	97.3	Very high	93.4	Very high	73 Å²	73	73.4 Å²	73.4	47%	0.474	40%	0.4	S	S	.	.	S	Bend	trans	-65	-30.5	-179	25.7	-32.6	0	0	0	112	E97 P111	E97-P109 HydrophobicContact CB-CG 4.4Å; E97-P109 WeakPolarHBondContact O-CD 3.21Å; P109-P111 VanDerWaalsContact C-CD 3.46Å; P109-P111 VanDerWaalsContact O-CD 3.28Å; P109-P111 WeakPolarHBondContact O-CD 3.39Å
110	E	98.3	Very high	93.7	Very high	135 Å²	135	74.6 Å²	74.6	63%	0.631	40%	0.397	S	S	*	.	S	Bend	trans	-120.9	72.4	-178.9	-64.8	-179.8	-131.7	0	0	111.3	F108 R120	F108-E110 PolarHBondContact O-N 3.41Å; E110-R120 PolarHBondContact O-NH2 2.83Å
111	P	98.6	Very high	94.1	Very high	13 Å²	13	72.2 Å²	72.2	8%	0.084	39%	0.386	C	S	.	.			trans	-68.9	163.7	179.5	29.6	-34.5	0	0	0	112.3	F108 P109 R113 R120 M165	F108-P111 WeakPolarHBondContact O-CD 3.32Å; P109-P111 VanDerWaalsContact C-CD 3.46Å; P109-P111 VanDerWaalsContact O-CD 3.28Å; P109-P111 WeakPolarHBondContact O-CD 3.39Å; P111-R113 HydrophobicContact CG-CG 4.48Å; P111-R113 VanDerWaalsContact CG-CZ 3.43Å; P111-R113 PolarHBondContact O-N 2.68Å; P111-R120 PolarHBondContact O-NH2 3.37Å; P111-M165 CarbonylContact C-O 3.43Å; P111-M165 VanDerWaalsContact CA-O 3.29Å; P111-M165 WeakPolarHBondContact CA-O 3.43Å; P111-M165 VanDerWaalsContact CB-O 3.25Å; P111-M165 WeakPolarHBondContact CB-O 3.46Å
112	L	98.8	Very high	94.6	Very high	0 Å²	0	75 Å²	75	0%	0	39%	0.391	C	S	.	.			trans	-75	119.3	174.2	-53.5	178.6	0	0	0	109.9	M96 D117 L118 L121 M165 V166 W180 L191	M96-L112 HydrophobicContact CE-CD2 4.19Å; M96-L112 HydrophobicContact CE-CG 3.96Å; M96-L112 HydrophobicContact SD-CD1 4.47Å; M96-L112 HydrophobicContact SD-CD2 4.4Å; M96-L112 HydrophobicContact SD-CG 4.2Å; L112-D117 HydrophobicContact CB-CB 4.28Å; L112-D117 HydrophobicContact CD2-CB 3.67Å; L112-L118 HydrophobicContact CD1-CD2 3.89Å; L112-L121 HydrophobicContact CD1-CD1 4.39Å; L112-L121 HydrophobicContact CD2-CD2 4.44Å; L112-M165 HydrophobicContact CD1-CB 3.97Å; L112-M165 HydrophobicContact CD1-CE 3.88Å; L112-M165 HydrophobicContact CG-CB 4.31Å; L112-M165 PolarHBondContact N-O 3Å; L112-V166 HydrophobicContact CB-CG2 4.29Å; L112-V166 WeakPolarHBondContact O-CA 3.47Å; L112-W180 HydrophobicContact CB-CZ2 4.3Å; L112-L191 HydrophobicContact CD1-CD1 3.97Å; L112-L191 HydrophobicContact CD1-CD2 3.71Å
113	R	98.4	Very high	95.5	Very high	138 Å²	138	74.2 Å²	74.2	52%	0.521	38%	0.381	S	S	.	.			trans	-118	-27.7	-176	-64.5	-64.3	176.3	69.4	-3.3	113	P111 D117 W180 R184	P111-R113 HydrophobicContact CG-CG 4.48Å; P111-R113 VanDerWaalsContact CG-CZ 3.43Å; P111-R113 PolarHBondContact O-N 2.68Å; R113-D117 WeakPolarHBondContact CA-OD2 3.42Å; R113-D117 PolarHBondContact N-OD2 2.91Å; R113-W180 PolarHBondContact O-NE1 3.46Å; R113-R184 PolarHBondContact O-NH2 3.5Å
114	E	98.3	Very high	96.4	Very high	90 Å²	90	70.7 Å²	70.7	42%	0.421	34%	0.34	S	S	.	.	S	Bend	trans	-138	172.8	175.9	62.9	-171.3	-169.9	0	0	113.2	Q116 D117 W180	E114-Q116 VanDerWaalsContact C-N 3.33Å; E114-Q116 HydrophobicContact CG-CB 4.41Å; E114-Q116 PolarHBondContact O-N 3.09Å; E114-D117 PolarHBondContact N-OD2 3.33Å; E114-D117 VanDerWaalsContact O-CB 3.26Å; E114-D117 WeakPolarHBondContact O-CB 3.29Å; E114-D117 PolarHBondContact O-N 3.43Å; E114-W180 VanDerWaalsContact O-CH2 3.28Å; E114-W180 WeakPolarHBondContact O-CH2 3.47Å; E114-W180 WeakPolarHBondContact O-CZ2 3.48Å
115	E	98.4	Very high	97.2	Very high	96 Å²	96	65.2 Å²	65.2	45%	0.449	33%	0.33	S	S	.	.	G	3₁₀ helix	trans	-65.7	-35.6	-174.7	-178.5	171.7	172.9	0	0	112.7	D117 L118 A187	E115-D117 PolarHBondContact O-N 3.29Å; E115-L118 WeakPolarHBondContact O-CB 3.4Å; E115-L118 VanDerWaalsContact O-CG 3.3Å; E115-L118 WeakPolarHBondContact O-CG 3.11Å; E115-L118 PolarHBondContact O-N 3.3Å; E115-L118 VanDerWaalsContact O-N 3.07Å; E115-A187 HydrophobicContact CB-CB 4.04Å; E115-A187 HydrophobicContact CG-CB 3.74Å
116	Q	98.6	Very high	97.7	Very high	121 Å²	121	67 Å²	67	57%	0.565	34%	0.336	S	S	*	.	G	3₁₀ helix	trans	-60.4	-28.3	176.5	-174.2	170.5	38.4	0	0	112.3	E114 L118 E119	E114-Q116 VanDerWaalsContact C-N 3.33Å; E114-Q116 HydrophobicContact CG-CB 4.41Å; E114-Q116 PolarHBondContact O-N 3.09Å; Q116-L118 PolarHBondContact O-N 2.95Å; Q116-E119 VanDerWaalsContact O-CB 3.31Å; Q116-E119 WeakPolarHBondContact O-CB 3.38Å; Q116-E119 WeakPolarHBondContact O-CG 3.46Å; Q116-E119 PolarHBondContact O-N 3.07Å
117	D	98.8	Very high	98	Very high	32 Å²	32	65.4 Å²	65.4	17%	0.171	33%	0.326	C	S	.	.	G	3₁₀ helix	trans	-60.7	-19.7	177.4	-69.9	-47.4	0	0	0	113	L112 R113 E114 E115 E119 R120	L112-D117 HydrophobicContact CB-CB 4.28Å; L112-D117 HydrophobicContact CD2-CB 3.67Å; R113-D117 WeakPolarHBondContact CA-OD2 3.42Å; R113-D117 PolarHBondContact N-OD2 2.91Å; E114-D117 PolarHBondContact N-OD2 3.33Å; E114-D117 VanDerWaalsContact O-CB 3.26Å; E114-D117 WeakPolarHBondContact O-CB 3.29Å; E114-D117 PolarHBondContact O-N 3.43Å; E115-D117 PolarHBondContact O-N 3.29Å; D117-E119 PolarHBondContact O-N 2.92Å; D117-R120 VanDerWaalsContact CG-NH1 3.26Å; D117-R120 WeakPolarHBondContact O-CG 3.25Å; D117-R120 PolarHBondContact O-NH1 3.43Å; D117-R120 IonicContact OD1-CZ 2.83Å; D117-R120 IonicContact OD1-NH1 3.86Å; D117-R120 PolarHBondContact OD1-NH1 2.9Å; D117-R120 IonicContact OD1-NH2 3.57Å
118	L	98.8	Very high	98	Very high	11 Å²	11	64.4 Å²	64.4	6%	0.058	32%	0.32	C	S	.	.	G	3₁₀ helix	trans	-67.1	-22.9	176.1	-57.9	-177	0	0	0	112.5	L112 E115 Q116 R120 L121 W180 A187 Q190 L191	L112-L118 HydrophobicContact CD1-CD2 3.89Å; E115-L118 WeakPolarHBondContact O-CB 3.4Å; E115-L118 VanDerWaalsContact O-CG 3.3Å; E115-L118 WeakPolarHBondContact O-CG 3.11Å; E115-L118 PolarHBondContact O-N 3.3Å; E115-L118 VanDerWaalsContact O-N 3.07Å; Q116-L118 PolarHBondContact O-N 2.95Å; L118-R120 PolarHBondContact O-N 3.06Å; L118-L121 HydrophobicContact CD2-CD1 4.07Å; L118-L121 WeakPolarHBondContact O-CB 3.42Å; L118-L121 PolarHBondContact O-N 2.93Å; L118-L121 VanDerWaalsContact O-N 3.14Å; L118-W180 HydrophobicContact CD2-CH2 4.34Å; L118-A187 HydrophobicContact CD1-CB 4.38Å; L118-Q190 HydrophobicContact CD1-CB 4.32Å; L118-Q190 HydrophobicContact CD1-CG 4.15Å; L118-L191 HydrophobicContact CD2-CB 4.01Å; L118-L191 HydrophobicContact CD2-CD1 3.97Å; L118-L191 HydrophobicContact CD2-CD2 4.27Å; L118-L191 HydrophobicContact CD2-CG 4.3Å
119	E	98.4	Very high	97.9	Very high	151 Å²	151	68.4 Å²	68.4	71%	0.706	35%	0.349	S	S	*	.	G	3₁₀ helix	trans	-65.6	-23.9	-178.2	-64.8	175.6	-177.4	0	0	113.2	Q116 D117 L121	Q116-E119 VanDerWaalsContact O-CB 3.31Å; Q116-E119 WeakPolarHBondContact O-CB 3.38Å; Q116-E119 WeakPolarHBondContact O-CG 3.46Å; Q116-E119 PolarHBondContact O-N 3.07Å; D117-E119 PolarHBondContact O-N 2.92Å; E119-L121 VanDerWaalsContact C-N 3.3Å
120	R	98.4	Very high	98	Very high	91 Å²	91	69.1 Å²	69.1	34%	0.343	35%	0.346	S	S	.	.	G	3₁₀ helix	trans	-81.8	-8.9	177.2	78.6	178	165.6	-95.9	13	113.7	E110 P111 D117 L118	E110-R120 PolarHBondContact O-NH2 2.83Å; P111-R120 PolarHBondContact O-NH2 3.37Å; D117-R120 VanDerWaalsContact CG-NH1 3.26Å; D117-R120 WeakPolarHBondContact O-CG 3.25Å; D117-R120 PolarHBondContact O-NH1 3.43Å; D117-R120 IonicContact OD1-CZ 2.83Å; D117-R120 IonicContact OD1-NH1 3.86Å; D117-R120 PolarHBondContact OD1-NH1 2.9Å; D117-R120 IonicContact OD1-NH2 3.57Å; L118-R120 PolarHBondContact O-N 3.06Å
121	L	98.8	Very high	98	Very high	19 Å²	19	62.7 Å²	62.7	10%	0.099	32%	0.316	C	S	.	.	S	Bend	trans	-75	139.2	179.2	-58.1	-179.1	0	0	0	109.7	L94 M96 L112 L118 E119 M165 L191 I194	L94-L121 HydrophobicContact CB-CD2 4.37Å; L94-L121 CarbonylContact O-C 3.6Å; L94-L121 WeakPolarHBondContact O-CA 3.23Å; M96-L121 HydrophobicContact CG-CD2 3.9Å; M96-L121 HydrophobicContact SD-CD2 4.35Å; L112-L121 HydrophobicContact CD1-CD1 4.39Å; L112-L121 HydrophobicContact CD2-CD2 4.44Å; L118-L121 HydrophobicContact CD2-CD1 4.07Å; L118-L121 WeakPolarHBondContact O-CB 3.42Å; L118-L121 PolarHBondContact O-N 2.93Å; L118-L121 VanDerWaalsContact O-N 3.14Å; E119-L121 VanDerWaalsContact C-N 3.3Å; L121-M165 HydrophobicContact CD1-CE 4.06Å; L121-M165 HydrophobicContact CD2-CE 3.97Å; L121-L191 HydrophobicContact CD1-CD1 3.85Å; L121-I194 HydrophobicContact CD1-CD1 4.47Å; L121-I194 HydrophobicContact CD1-CG2 4.48Å
122	R	98.6	Very high	98	Very high	107 Å²	107	63 Å²	63	40%	0.404	32%	0.321	S	S	.	.	P	Polyproline II helix	trans	-63.1	155.7	171.5	-65.4	-166.9	-177.4	90.5	5.9	110.5	A93 L94 V126	A93-R122 WeakPolarHBondContact O-CD 3.42Å; A93-R122 PolarHBondContact O-NH1 2.59Å; L94-R122 PolarHBondContact O-N 2.91Å; R122-V126 HydrophobicContact CB-CG2 4.01Å
123	D	98.4	Very high	97.9	Very high	104 Å²	104	64 Å²	64	56%	0.556	33%	0.325	S	S	*	.	P	Polyproline II helix	trans	-53.9	124.3	166.4	-174.1	-30.4	0	0	0	109.3	A125 V126	D123-A125 PolarHBondContact O-N 2.96Å; D123-A125 VanDerWaalsContact OD1-CB 3.25Å; D123-A125 WeakPolarHBondContact OD1-CB 3.44Å; D123-A125 PolarHBondContact OD1-N 2.71Å; D123-V126 VanDerWaalsContact O-CG2 3.25Å; D123-V126 WeakPolarHBondContact O-CG2 3.5Å; D123-V126 PolarHBondContact O-N 3.35Å
124	P	97.9	Very high	98	Very high	19 Å²	19	57.6 Å²	57.6	12%	0.123	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-56.3	-24.5	179.9	22.1	-33.8	0	0	0	113.7	V126 V127 I194 D197 A198	P124-V126 PolarHBondContact O-N 2.81Å; P124-V127 WeakPolarHBondContact O-CB 3.24Å; P124-V127 PolarHBondContact O-N 2.95Å; P124-I194 HydrophobicContact CB-CG2 4.32Å; P124-I194 WeakPolarHBondContact CB-O 3.41Å; P124-I194 HydrophobicContact CG-CG2 4.4Å; P124-D197 HydrophobicContact CB-CB 3.64Å; P124-D197 HydrophobicContact CG-CB 3.68Å; P124-A198 HydrophobicContact CB-CB 3.91Å
125	A	96	Very high	98	Very high	71 Å²	71	55.1 Å²	55.1	59%	0.587	29%	0.289	S	S	*	.	G	3₁₀ helix	trans	-63.4	-24.5	177.8	0	0	0	0	0	113.8	D123	D123-A125 PolarHBondContact O-N 2.96Å; D123-A125 VanDerWaalsContact OD1-CB 3.25Å; D123-A125 WeakPolarHBondContact OD1-CB 3.44Å; D123-A125 PolarHBondContact OD1-N 2.71Å
126	V	96.9	Very high	98	Very high	58 Å²	58	56.4 Å²	56.4	35%	0.352	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-91.9	-7.7	-180	-51.2	0	0	0	0	113.5	R122 D123 P124 A128 S129 E130	R122-V126 HydrophobicContact CB-CG2 4.01Å; D123-V126 VanDerWaalsContact O-CG2 3.25Å; D123-V126 WeakPolarHBondContact O-CG2 3.5Å; D123-V126 PolarHBondContact O-N 3.35Å; P124-V126 PolarHBondContact O-N 2.81Å; V126-A128 VanDerWaalsContact C-N 3.31Å; V126-A128 PolarHBondContact O-N 2.91Å; V126-S129 PolarHBondContact O-N 2.76Å; V126-S129 PolarHBondContact O-OG 3.41Å; V126-E130 PolarHBondContact O-N 3.46Å
127	V	96.8	Very high	98	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-62.6	-37.9	-174.6	169.1	0	0	0	0	112.2	A93 L94 P124 S129 E130 L131 A198	A93-V127 HydrophobicContact CB-CG1 3.81Å; L94-V127 HydrophobicContact CD2-CG2 3.49Å; L94-V127 VanDerWaalsContact CD2-CG2 3.49Å; L94-V127 HydrophobicContact CG-CG2 3.81Å; P124-V127 WeakPolarHBondContact O-CB 3.24Å; P124-V127 PolarHBondContact O-N 2.95Å; V127-S129 VanDerWaalsContact C-N 3.32Å; V127-S129 PolarHBondContact O-N 3.04Å; V127-E130 PolarHBondContact O-N 2.97Å; V127-L131 HydrophobicContact CG1-CD1 3.72Å; V127-L131 HydrophobicContact CG1-CG 4.38Å; V127-L131 WeakPolarHBondContact O-CG 3.26Å; V127-L131 PolarHBondContact O-N 3.01Å; V127-A198 HydrophobicContact CB-CB 3.94Å; V127-A198 HydrophobicContact CG1-CB 4.01Å; V127-A198 HydrophobicContact CG2-CB 3.81Å
128	A	96.4	Very high	98	Very high	19 Å²	19	49.2 Å²	49.2	16%	0.157	26%	0.261	C	S	.	.	H	α-helix	trans	-62.6	-38.4	179.2	0	0	0	0	0	112.2	V126 E130 L131 F135 P201	V126-A128 VanDerWaalsContact C-N 3.31Å; V126-A128 PolarHBondContact O-N 2.91Å; A128-E130 VanDerWaalsContact C-N 3.34Å; A128-E130 PolarHBondContact O-N 3.14Å; A128-L131 PolarHBondContact O-N 3.3Å; A128-F135 HydrophobicContact CB-CZ 4.39Å; A128-F135 WeakPolarHBondContact O-CE2 3.38Å; A128-P201 HydrophobicContact CB-CB 4.06Å
129	S	95.8	Very high	98	Very high	89 Å²	89	51.2 Å²	51.2	62%	0.622	27%	0.274	S	S	*	.	H	α-helix	trans	-67.3	-34.3	176.5	41.8	0	0	0	0	112.8	V126 V127 L131 G132	V126-S129 PolarHBondContact O-N 2.76Å; V126-S129 PolarHBondContact O-OG 3.41Å; V127-S129 VanDerWaalsContact C-N 3.32Å; V127-S129 PolarHBondContact O-N 3.04Å; S129-L131 PolarHBondContact O-N 3.47Å; S129-G132 PolarHBondContact O-N 2.96Å
130	E	98	Very high	98	Very high	88 Å²	88	45.6 Å²	45.6	41%	0.411	25%	0.249	S	C	.	.	H	α-helix	trans	-67.8	-24.2	175.4	-64.6	-60	135.2	0	0	112.7	A93 V126 V127 A128 Y133	A93-E130 HydrophobicContact CB-CB 3.88Å; V126-E130 PolarHBondContact O-N 3.46Å; V127-E130 PolarHBondContact O-N 2.97Å; A128-E130 VanDerWaalsContact C-N 3.34Å; A128-E130 PolarHBondContact O-N 3.14Å; E130-Y133 WeakPolarHBondContact O-CE1 3.18Å
131	L	98.5	Very high	98.1	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.2	16.9	-178.3	-65.5	174.8	0	0	0	113.6	V89 V90 A93 V127 A128 S129 Y133 V134 Y202	V89-L131 HydrophobicContact CB-CD2 3.8Å; V89-L131 HydrophobicContact CG2-CD1 4.47Å; V89-L131 HydrophobicContact CG2-CD2 3.85Å; V90-L131 HydrophobicContact CG2-CD1 4.04Å; A93-L131 HydrophobicContact CB-CD1 4.2Å; A93-L131 HydrophobicContact CB-CD2 3.87Å; A93-L131 HydrophobicContact CB-CG 3.83Å; V127-L131 HydrophobicContact CG1-CD1 3.72Å; V127-L131 HydrophobicContact CG1-CG 4.38Å; V127-L131 WeakPolarHBondContact O-CG 3.26Å; V127-L131 PolarHBondContact O-N 3.01Å; A128-L131 PolarHBondContact O-N 3.3Å; S129-L131 PolarHBondContact O-N 3.47Å; L131-Y133 HydrophobicContact CD2-CE1 3.96Å; L131-Y133 WeakPolarHBondContact CD2-OH 3.15Å; L131-Y133 PolarHBondContact O-N 3.08Å; L131-Y133 VanDerWaalsContact O-N 3.08Å; L131-V134 HydrophobicContact CB-CG2 4.5Å; L131-V134 HydrophobicContact CD2-CG2 4.41Å; L131-V134 WeakPolarHBondContact O-CB 3.46Å; L131-V134 PolarHBondContact O-N 2.96Å; L131-Y202 HydrophobicContact CB-CD2 3.97Å; L131-Y202 HydrophobicContact CB-CE2 4.01Å; L131-Y202 HydrophobicContact CD1-CD1 4.34Å; L131-Y202 HydrophobicContact CD1-CD2 3.38Å; L131-Y202 HydrophobicContact CD1-CE2 3.62Å; L131-Y202 HydrophobicContact CD1-CG 3.78Å; L131-Y202 HydrophobicContact CG-CD2 4.3Å; L131-Y202 HydrophobicContact CG-CE2 4.35Å
132	G	98.3	Very high	98.1	Very high	20 Å²	20	41.6 Å²	41.6	21%	0.206	23%	0.232	C	C	.	.	H	α-helix	trans	-54	-30.4	179.4	0	0	0	0	0	114.5	S129 V134 F135 Q136	S129-G132 PolarHBondContact O-N 2.96Å; G132-V134 VanDerWaalsContact C-N 3.3Å; G132-V134 PolarHBondContact O-N 3.48Å; G132-F135 PolarHBondContact O-N 3.47Å; G132-Q136 WeakPolarHBondContact O-CG 3.45Å; G132-Q136 PolarHBondContact O-N 2.78Å
133	Y	98.5	Very high	98.1	Very high	20 Å²	20	40.2 Å²	40.2	8%	0.078	23%	0.23	C	C	.	.	H	α-helix	trans	-64.4	-31.7	176	64.4	-96	0	0	0	113	C59 R60 V89 E130 L131 A137	C59-Y133 WeakPolarHBondContact O-CD2 3.41Å; C59-Y133 WeakPolarHBondContact O-CE2 3.39Å; R60-Y133 HydrophobicContact CB-CD2 4.36Å; R60-Y133 HydrophobicContact CB-CG 4.39Å; R60-Y133 HydrophobicContact CG-CD1 4.09Å; R60-Y133 HydrophobicContact CG-CD2 3.99Å; R60-Y133 HydrophobicContact CG-CE1 4.08Å; R60-Y133 HydrophobicContact CG-CE2 3.96Å; R60-Y133 HydrophobicContact CG-CG 4.04Å; V89-Y133 WeakPolarHBondContact CB-OH 3.25Å; V89-Y133 WeakPolarHBondContact CG1-OH 3.3Å; E130-Y133 WeakPolarHBondContact O-CE1 3.18Å; L131-Y133 HydrophobicContact CD2-CE1 3.96Å; L131-Y133 WeakPolarHBondContact CD2-OH 3.15Å; L131-Y133 PolarHBondContact O-N 3.08Å; L131-Y133 VanDerWaalsContact O-N 3.08Å; Y133-A137 PolarHBondContact O-N 3.36Å
134	V	98.8	Very high	98.1	Very high	3 Å²	3	41.4 Å²	41.4	2%	0.018	23%	0.227	C	C	.	.	H	α-helix	trans	-68.9	-42.7	174.9	-178.6	0	0	0	0	109.7	L131 G132 Q136 A137 I138 Y202	L131-V134 HydrophobicContact CB-CG2 4.5Å; L131-V134 HydrophobicContact CD2-CG2 4.41Å; L131-V134 WeakPolarHBondContact O-CB 3.46Å; L131-V134 PolarHBondContact O-N 2.96Å; G132-V134 VanDerWaalsContact C-N 3.3Å; G132-V134 PolarHBondContact O-N 3.48Å; V134-Q136 VanDerWaalsContact C-N 3.34Å; V134-Q136 PolarHBondContact O-N 2.76Å; V134-A137 WeakPolarHBondContact O-CB 3.17Å; V134-A137 PolarHBondContact O-N 2.7Å; V134-I138 HydrophobicContact CG1-CD1 3.98Å; V134-I138 HydrophobicContact CG1-CG1 4.43Å; V134-I138 WeakPolarHBondContact O-CG1 3.34Å; V134-I138 PolarHBondContact O-N 3.36Å; V134-Y202 HydrophobicContact CB-CE2 4.17Å; V134-Y202 HydrophobicContact CG1-CE2 4.05Å; V134-Y202 HydrophobicContact CG2-CE2 4.29Å
135	F	98.8	Very high	98.1	Very high	39 Å²	39	40.8 Å²	40.8	17%	0.171	22%	0.222	C	C	.	.	H	α-helix	trans	-63	-43	178.5	-53.6	-29.7	0	0	0	111.1	A128 G132 A137 I138 T139 Y202 Q206 A209	A128-F135 HydrophobicContact CB-CZ 4.39Å; A128-F135 WeakPolarHBondContact O-CE2 3.38Å; G132-F135 PolarHBondContact O-N 3.47Å; F135-A137 VanDerWaalsContact C-N 3.33Å; F135-A137 PolarHBondContact O-N 3.3Å; F135-I138 PolarHBondContact O-N 3.06Å; F135-T139 PolarHBondContact O-N 3.08Å; F135-T139 PolarHBondContact O-OG1 3.23Å; F135-Y202 AromaticContact CE1-CD2 3.68Å; F135-Y202 HydrophobicContact CE1-CD2 3.68Å; F135-Y202 AromaticContact CE1-CE2 3.97Å; F135-Y202 HydrophobicContact CE1-CE2 3.97Å; F135-Y202 WeakPolarHBondContact CE1-O 3.39Å; F135-Y202 AromaticContact CZ-CD2 3.91Å; F135-Y202 HydrophobicContact CZ-CD2 3.91Å; F135-Q206 HydrophobicContact CD1-CG 4.3Å; F135-Q206 HydrophobicContact CE1-CG 4.04Å; F135-A209 HydrophobicContact CB-CB 3.83Å; F135-A209 HydrophobicContact CD1-CB 4.45Å; F135-A209 HydrophobicContact CG-CB 4.44Å
136	Q	98.8	Very high	98.2	Very high	122 Å²	122	39.8 Å²	39.8	57%	0.57	22%	0.215	S	C	*	.	H	α-helix	trans	-58.8	-43.6	173.5	-68.9	169.5	16.3	0	0	111.9	P62 G132 V134 T139 L140	P62-Q136 HydrophobicContact CB-CB 4.14Å; P62-Q136 HydrophobicContact CG-CB 3.66Å; G132-Q136 WeakPolarHBondContact O-CG 3.45Å; G132-Q136 PolarHBondContact O-N 2.78Å; V134-Q136 VanDerWaalsContact C-N 3.34Å; V134-Q136 PolarHBondContact O-N 2.76Å; Q136-T139 PolarHBondContact O-N 3.19Å; Q136-L140 VanDerWaalsContact O-CB 3.28Å; Q136-L140 WeakPolarHBondContact O-CB 3.31Å; Q136-L140 PolarHBondContact O-N 2.92Å
137	A	98.8	Very high	98.3	Very high	2 Å²	2	37.1 Å²	37.1	2%	0.017	20%	0.198	C	C	.	.	H	α-helix	trans	-62.2	-42.6	176.3	0	0	0	0	0	112.4	P62 C65 I83 Y133 V134 F135 T141	P62-A137 HydrophobicContact CB-CB 4.34Å; C65-A137 HydrophobicContact CB-CB 3.75Å; I83-A137 HydrophobicContact CD1-CB 4.21Å; Y133-A137 PolarHBondContact O-N 3.36Å; V134-A137 WeakPolarHBondContact O-CB 3.17Å; V134-A137 PolarHBondContact O-N 2.7Å; F135-A137 VanDerWaalsContact C-N 3.33Å; F135-A137 PolarHBondContact O-N 3.3Å; A137-T141 VanDerWaalsContact O-CB 3.24Å; A137-T141 WeakPolarHBondContact O-CB 3.27Å; A137-T141 PolarHBondContact O-N 3.41Å; A137-T141 PolarHBondContact O-OG1 3.42Å
138	I	98.9	Very high	98.4	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-64	-49.5	177.5	-69.3	170.6	0	0	0	110.6	I83 V134 F135 L140 T141 R142 L151 Q206 A209 A211	I83-I138 HydrophobicContact CB-CG1 4.21Å; I83-I138 HydrophobicContact CD1-CG1 4.14Å; I83-I138 HydrophobicContact CG1-CG1 3.77Å; I83-I138 HydrophobicContact CG2-CG1 4.33Å; V134-I138 HydrophobicContact CG1-CD1 3.98Å; V134-I138 HydrophobicContact CG1-CG1 4.43Å; V134-I138 WeakPolarHBondContact O-CG1 3.34Å; V134-I138 PolarHBondContact O-N 3.36Å; F135-I138 PolarHBondContact O-N 3.06Å; I138-L140 VanDerWaalsContact C-N 3.34Å; I138-L140 PolarHBondContact O-N 3.08Å; I138-T141 PolarHBondContact O-N 2.67Å; I138-R142 WeakPolarHBondContact O-CB 3.12Å; I138-R142 PolarHBondContact O-N 2.91Å; I138-L151 HydrophobicContact CG2-CD2 3.95Å; I138-Q206 HydrophobicContact CD1-CB 3.63Å; I138-Q206 HydrophobicContact CD1-CG 3.49Å; I138-Q206 VanDerWaalsContact CD1-CG 3.49Å; I138-A209 HydrophobicContact CB-CB 4Å; I138-A209 HydrophobicContact CG2-CB 3.89Å; I138-A211 HydrophobicContact CG2-CB 4.26Å
139	T	98.8	Very high	98.5	Very high	54 Å²	54	43 Å²	43	33%	0.331	22%	0.217	S	C	.	.	H	α-helix	trans	-58.6	-47.9	179.2	-63.1	0	0	0	0	111.1	F11 F135 Q136 T141 R142 Q143 A209	F11-T139 HydrophobicContact CE1-CG2 4.01Å; F11-T139 HydrophobicContact CZ-CG2 4.16Å; F135-T139 PolarHBondContact O-N 3.08Å; F135-T139 PolarHBondContact O-OG1 3.23Å; Q136-T139 PolarHBondContact O-N 3.19Å; T139-T141 PolarHBondContact O-N 3.21Å; T139-R142 PolarHBondContact O-N 3.49Å; T139-Q143 VanDerWaalsContact O-CG 3.32Å; T139-Q143 WeakPolarHBondContact O-CG 2.92Å; T139-Q143 PolarHBondContact O-N 3.35Å; T139-A209 WeakPolarHBondContact CA-O 3.43Å; T139-A209 WeakPolarHBondContact CB-O 3.15Å; T139-A209 PolarHBondContact N-O 3.23Å; T139-A209 PolarHBondContact OG1-O 3.4Å
140	L	98.8	Very high	98.6	Very high	33 Å²	33	38.8 Å²	38.8	17%	0.173	19%	0.188	C	C	.	.	H	α-helix	trans	-60.5	-47.6	177.6	179.1	62.6	0	0	0	111.7	P62 E63 C66 Q136 I138 R142 Q143 R144	P62-L140 HydrophobicContact CB-CD2 4.08Å; E63-L140 HydrophobicContact CB-CD2 4.41Å; E63-L140 VanDerWaalsContact CD-CD2 3.43Å; E63-L140 HydrophobicContact CG-CD2 3.89Å; C66-L140 HydrophobicContact CB-CD2 3.86Å; C66-L140 HydrophobicContact CB-CG 4.05Å; Q136-L140 VanDerWaalsContact O-CB 3.28Å; Q136-L140 WeakPolarHBondContact O-CB 3.31Å; Q136-L140 PolarHBondContact O-N 2.92Å; I138-L140 VanDerWaalsContact C-N 3.34Å; I138-L140 PolarHBondContact O-N 3.08Å; L140-R142 PolarHBondContact O-N 2.98Å; L140-Q143 PolarHBondContact O-N 2.72Å; L140-R144 HydrophobicContact CD1-CG 4.06Å; L140-R144 HydrophobicContact CG-CG 4.37Å; L140-R144 WeakPolarHBondContact O-CB 3.36Å; L140-R144 WeakPolarHBondContact O-CG 3.2Å; L140-R144 PolarHBondContact O-N 3.43Å
141	T	98.9	Very high	98.7	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-63.4	-42	-179.9	-56.9	0	0	0	0	111.6	C66 T69 I83 A137 I138 T139 Q143 R144 L145 L151	C66-T141 VanDerWaalsContact CA-OG1 3.31Å; C66-T141 WeakPolarHBondContact CA-OG1 3.45Å; C66-T141 WeakPolarHBondContact CB-OG1 3.49Å; T69-T141 HydrophobicContact CG2-CG2 3.61Å; I83-T141 HydrophobicContact CD1-CG2 4.33Å; I83-T141 WeakPolarHBondContact CD1-OG1 3.48Å; A137-T141 VanDerWaalsContact O-CB 3.24Å; A137-T141 WeakPolarHBondContact O-CB 3.27Å; A137-T141 PolarHBondContact O-N 3.41Å; A137-T141 PolarHBondContact O-OG1 3.42Å; I138-T141 PolarHBondContact O-N 2.67Å; T139-T141 PolarHBondContact O-N 3.21Å; T141-Q143 VanDerWaalsContact C-N 3.33Å; T141-Q143 PolarHBondContact O-N 3.21Å; T141-R144 PolarHBondContact O-N 3.36Å; T141-L145 HydrophobicContact CG2-CD1 4.12Å; T141-L145 HydrophobicContact CG2-CG 4.35Å; T141-L145 WeakPolarHBondContact O-CB 3.24Å; T141-L145 WeakPolarHBondContact O-CG 3.47Å; T141-L145 PolarHBondContact O-N 3.08Å; T141-L151 HydrophobicContact CG2-CD1 3.97Å; T141-L151 HydrophobicContact CG2-CD2 3.99Å
142	R	98.7	Very high	98.7	Very high	25 Å²	25	34.6 Å²	34.6	9%	0.094	17%	0.168	C	C	.	.	H	α-helix	trans	-62.1	-40.3	176.9	179.9	62	-173.2	-74.6	-4.6	111.9	F11 I138 T139 L140 L151 G210 Q212	F11-R142 HydrophobicContact CB-CG 4.09Å; F11-R142 HydrophobicContact CD1-CB 3.91Å; F11-R142 HydrophobicContact CD1-CG 3.29Å; F11-R142 HydrophobicContact CD2-CG 4.33Å; F11-R142 HydrophobicContact CE1-CB 3.87Å; F11-R142 HydrophobicContact CE1-CG 3.69Å; F11-R142 HydrophobicContact CG-CG 3.64Å; F11-R142 HydrophobicContact CZ-CG 4.37Å; I138-R142 WeakPolarHBondContact O-CB 3.12Å; I138-R142 PolarHBondContact O-N 2.91Å; T139-R142 PolarHBondContact O-N 3.49Å; L140-R142 PolarHBondContact O-N 2.98Å; R142-L151 HydrophobicContact CB-CD2 4.15Å; R142-G210 PolarHBondContact NH1-O 2.83Å; R142-Q212 VanDerWaalsContact CZ-OE1 3.29Å; R142-Q212 VanDerWaalsContact NE-OE1 3.16Å; R142-Q212 VanDerWaalsContact NH1-CD 3.34Å
143	Q	98.6	Very high	98.7	Very high	79 Å²	79	33.7 Å²	33.7	37%	0.369	16%	0.158	S	C	.	.	H	α-helix	trans	-64.2	-48	173.5	-69	-68.3	-7.6	0	0	111.3	G10 F11 T139 L140 T141 L145 A146	G10-Q143 PolarHBondContact O-NE2 2.72Å; G10-Q143 VanDerWaalsContact O-NE2 3.13Å; F11-Q143 HydrophobicContact CD1-CG 4.11Å; F11-Q143 VanDerWaalsContact CD1-NE2 3.34Å; F11-Q143 HydrophobicContact CE1-CG 4.14Å; T139-Q143 VanDerWaalsContact O-CG 3.32Å; T139-Q143 WeakPolarHBondContact O-CG 2.92Å; T139-Q143 PolarHBondContact O-N 3.35Å; L140-Q143 PolarHBondContact O-N 2.72Å; T141-Q143 VanDerWaalsContact C-N 3.33Å; T141-Q143 PolarHBondContact O-N 3.21Å; Q143-L145 PolarHBondContact O-N 3.39Å; Q143-A146 PolarHBondContact O-N 3.31Å
144	R	98.6	Very high	98.8	Very high	128 Å²	128	33.6 Å²	33.6	48%	0.483	16%	0.158	S	C	.	.	H	α-helix	trans	-71.2	-26.4	-176.5	-65	-78.2	-177	71	3.6	113.8	E63 L70 L140 T141 A146	E63-R144 IonicContact OE1-CZ 3.36Å; E63-R144 IonicContact OE1-NH1 3.61Å; E63-R144 IonicContact OE1-NH2 3.6Å; E63-R144 PolarHBondContact OE1-NH2 3.44Å; E63-R144 IonicContact OE2-CZ 3.99Å; E63-R144 IonicContact OE2-NH1 3.53Å; E63-R144 PolarHBondContact OE2-NH1 3.01Å; E63-R144 IonicContact OE2-NH2 3.1Å; E63-R144 PolarHBondContact OE2-NH2 3.14Å; L70-R144 HydrophobicContact CD1-CB 3.97Å; L140-R144 HydrophobicContact CD1-CG 4.06Å; L140-R144 HydrophobicContact CG-CG 4.37Å; L140-R144 WeakPolarHBondContact O-CB 3.36Å; L140-R144 WeakPolarHBondContact O-CG 3.2Å; L140-R144 PolarHBondContact O-N 3.43Å; T141-R144 PolarHBondContact O-N 3.36Å; R144-A146 PolarHBondContact O-N 3.37Å
145	L	98.7	Very high	98.8	Very high	6 Å²	6	33.5 Å²	33.5	3%	0.031	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-21.7	170.1	-83.4	168.3	0	0	0	112.3	L70 A81 T141 Q143 G147 R148 V149 L151	L70-L145 HydrophobicContact CD2-CD2 3.6Å; L70-L145 HydrophobicContact CD2-CG 3.89Å; A81-L145 HydrophobicContact CB-CD1 3.93Å; A81-L145 HydrophobicContact CB-CD2 4.13Å; T141-L145 HydrophobicContact CG2-CD1 4.12Å; T141-L145 HydrophobicContact CG2-CG 4.35Å; T141-L145 WeakPolarHBondContact O-CB 3.24Å; T141-L145 WeakPolarHBondContact O-CG 3.47Å; T141-L145 PolarHBondContact O-N 3.08Å; Q143-L145 PolarHBondContact O-N 3.39Å; L145-G147 PolarHBondContact O-N 3Å; L145-G147 VanDerWaalsContact O-N 3.08Å; L145-R148 VanDerWaalsContact O-CB 3.24Å; L145-R148 WeakPolarHBondContact O-CB 3.32Å; L145-R148 PolarHBondContact O-N 3.1Å; L145-V149 HydrophobicContact CD2-CG2 4.21Å; L145-L151 HydrophobicContact CD1-CB 3.91Å; L145-L151 HydrophobicContact CD1-CD1 4.17Å; L145-L151 HydrophobicContact CD1-CG 4.43Å
146	A	98.3	Very high	98.8	Very high	51 Å²	51	31.6 Å²	31.6	42%	0.421	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.7	38.3	176.9	0	0	0	0	0	113.2	Q143 R144 R148	Q143-A146 PolarHBondContact O-N 3.31Å; R144-A146 PolarHBondContact O-N 3.37Å; A146-R148 VanDerWaalsContact C-N 3.26Å; A146-R148 PolarHBondContact O-N 3.5Å
147	G	98.3	Very high	98.8	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.01	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.8	8	179.7	0	0	0	0	0	115.2	E13 K15 L145 V149	E13-G147 VanDerWaalsContact O-CA 3.29Å; E13-G147 WeakPolarHBondContact O-CA 3.29Å; K15-G147 WeakPolarHBondContact CB-O 3.38Å; K15-G147 PolarHBondContact N-O 2.86Å; L145-G147 PolarHBondContact O-N 3Å; L145-G147 VanDerWaalsContact O-N 3.08Å; G147-V149 PolarHBondContact O-N 3.18Å
148	R	98.8	Very high	98.8	Very high	139 Å²	139	25.7 Å²	25.7	53%	0.525	12%	0.122	S	C	.	.	S	Bend	trans	-54.4	-50.9	-176	-174.2	-173.9	-62.8	-172.9	-1.2	112.5	N16 L73 L145 A146	N16-R148 WeakPolarHBondContact CB-O 3.36Å; N16-R148 PolarHBondContact N-O 3.36Å; L73-R148 PolarHBondContact O-NH1 3.42Å; L145-R148 VanDerWaalsContact O-CB 3.24Å; L145-R148 WeakPolarHBondContact O-CB 3.32Å; L145-R148 PolarHBondContact O-N 3.1Å; A146-R148 VanDerWaalsContact C-N 3.26Å; A146-R148 PolarHBondContact O-N 3.5Å
149	V	98.9	Very high	98.8	Very high	5 Å²	5	25.7 Å²	25.7	3%	0.03	12%	0.122	C	C	.	.	S	Bend	trans	-149.9	164.9	-179.9	-71.3	0	0	0	0	109.9	L14 N16 L73 L78 A81 L145 G147	L14-V149 VanDerWaalsContact CD1-C 3.47Å; N16-V149 HydrophobicContact CB-CG1 4.2Å; L73-V149 HydrophobicContact CD1-CG2 3.72Å; L78-V149 WeakPolarHBondContact O-CG1 3.45Å; A81-V149 HydrophobicContact CB-CG2 4.43Å; L145-V149 HydrophobicContact CD2-CG2 4.21Å; G147-V149 PolarHBondContact O-N 3.18Å
150	P	98.9	Very high	98.8	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	11%	0.106	C	C	.	.	P	Polyproline II helix	trans	-66.4	149.4	177.8	-16.5	32	0	0	0	112.1	L14 N16 F19 L20 D79 A81 Q212	L14-P150 HydrophobicContact CD1-CG 4.13Å; L14-P150 HydrophobicContact CD2-CG 4.06Å; N16-P150 WeakPolarHBondContact O-CD 3.24Å; F19-P150 HydrophobicContact CB-CG 4.29Å; F19-P150 HydrophobicContact CD1-CB 4.23Å; F19-P150 HydrophobicContact CD1-CG 4.13Å; L20-P150 HydrophobicContact CD1-CB 4.19Å; L20-P150 HydrophobicContact CD1-CG 4.02Å; L20-P150 HydrophobicContact CD2-CB 4.05Å; L20-P150 HydrophobicContact CD2-CG 4.26Å; L20-P150 HydrophobicContact CG-CB 3.99Å; L20-P150 HydrophobicContact CG-CG 3.69Å; D79-P150 VanDerWaalsContact O-CD 3.25Å; D79-P150 WeakPolarHBondContact O-CD 3.32Å; A81-P150 PolarHBondContact N-O 3.33Å; P150-Q212 HydrophobicContact CB-CB 4.14Å
151	L	98.9	Very high	98.8	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	120.7	172.1	-178.3	60.7	0	0	0	111.4	T69 A81 I83 I138 T141 R142 L145 Q212	T69-L151 HydrophobicContact CG2-CD1 4.2Å; A81-L151 HydrophobicContact CB-CD1 4Å; A81-L151 CarbonylContact O-C 2.97Å; A81-L151 WeakPolarHBondContact O-CA 3.43Å; I83-L151 HydrophobicContact CB-CD1 4.26Å; I138-L151 HydrophobicContact CG2-CD2 3.95Å; T141-L151 HydrophobicContact CG2-CD1 3.97Å; T141-L151 HydrophobicContact CG2-CD2 3.99Å; R142-L151 HydrophobicContact CB-CD2 4.15Å; L145-L151 HydrophobicContact CD1-CB 3.91Å; L145-L151 HydrophobicContact CD1-CD1 4.17Å; L145-L151 HydrophobicContact CD1-CG 4.43Å; L151-Q212 PolarHBondContact O-N 2.81Å
152	I	98.9	Very high	98.8	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	122.7	175.9	-56.5	166.9	0	0	0	109	F19 W34 A80 A81 I82 I83 A213 Q215	F19-I152 HydrophobicContact CE1-CD1 4.13Å; F19-I152 HydrophobicContact CE1-CG1 4.01Å; F19-I152 HydrophobicContact CE2-CD1 4.06Å; F19-I152 HydrophobicContact CZ-CD1 3.62Å; F19-I152 HydrophobicContact CZ-CG1 3.95Å; W34-I152 HydrophobicContact CD2-CD1 3.86Å; W34-I152 HydrophobicContact CE3-CD1 4.22Å; W34-I152 HydrophobicContact CG-CD1 4.35Å; W34-I152 HydrophobicContact CH2-CD1 4.27Å; W34-I152 HydrophobicContact CZ2-CD1 3.9Å; W34-I152 HydrophobicContact CZ3-CD1 4.42Å; A80-I152 HydrophobicContact CB-CD1 3.66Å; A80-I152 HydrophobicContact CB-CG1 4.16Å; A81-I152 WeakPolarHBondContact O-CB 3.41Å; A81-I152 PolarHBondContact O-N 2.84Å; I82-I152 HydrophobicContact CB-CB 4.13Å; I82-I152 HydrophobicContact CD1-CG2 4.27Å; I82-I152 HydrophobicContact CG1-CB 4.14Å; I82-I152 HydrophobicContact CG1-CG2 4.18Å; I83-I152 PolarHBondContact N-O 3.3Å; I152-A213 HydrophobicContact CG1-CB 4.27Å; I152-Q215 HydrophobicContact CG2-CB 4.27Å
153	G	98.9	Very high	98.8	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	163.7	163	0	0	0	0	0	110.9	A213 L214 Q215	G153-A213 PolarHBondContact N-O 3.02Å; G153-L214 CarbonylContact O-C 3.56Å; G153-L214 VanDerWaalsContact O-CA 3.31Å; G153-L214 WeakPolarHBondContact O-CA 3.23Å; G153-Q215 PolarHBondContact O-N 2.85Å
154	F	98.9	Very high	98.8	Very high	18 Å²	18	18.5 Å²	18.5	8%	0.079	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158	165.8	-179.6	77	-80.9	0	0	0	115.1	I82 I83 I87 Q206 Q215 F217	I82-F154 HydrophobicContact CD1-CB 4.49Å; I82-F154 HydrophobicContact CD1-CD1 4.09Å; I82-F154 HydrophobicContact CD1-CG 4.38Å; I82-F154 HydrophobicContact CG1-CD1 4.05Å; I83-F154 HydrophobicContact CG2-CD1 3.89Å; I83-F154 HydrophobicContact CG2-CE1 3.97Å; I83-F154 VanDerWaalsContact O-CE1 3.26Å; I83-F154 WeakPolarHBondContact O-CE1 3.26Å; I87-F154 HydrophobicContact CG2-CD2 4Å; I87-F154 HydrophobicContact CG2-CE2 3.7Å; F154-Q206 PolarHBondContact O-NE2 3.47Å; F154-Q215 WeakPolarHBondContact CA-O 3.39Å; F154-Q215 HydrophobicContact CB-CB 4.32Å; F154-Q215 VanDerWaalsContact CB-O 3.24Å; F154-Q215 WeakPolarHBondContact CB-O 3.43Å; F154-F217 HydrophobicContact CB-CD2 4.06Å; F154-F217 HydrophobicContact CB-CE2 3.63Å; F154-F217 AromaticContact CD2-CD2 3.73Å; F154-F217 HydrophobicContact CD2-CD2 3.73Å; F154-F217 AromaticContact CD2-CE2 3.57Å; F154-F217 HydrophobicContact CD2-CE2 3.57Å; F154-F217 HydrophobicContact CE2-CE2 4.46Å; F154-F217 HydrophobicContact CG-CD2 4.27Å; F154-F217 AromaticContact CG-CE2 3.78Å; F154-F217 HydrophobicContact CG-CE2 3.78Å
155	A	98.9	Very high	98.8	Very high	1 Å²	1	12.4 Å²	12.4	1%	0.008	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	166.1	167.3	0	0	0	0	0	111.5	L199 Y202 L203 Q215 L216 F217	A155-L199 HydrophobicContact CB-CD2 3.47Å; A155-L199 VanDerWaalsContact CB-CD2 3.47Å; A155-Y202 HydrophobicContact CB-CD1 4.14Å; A155-Y202 HydrophobicContact CB-CE1 3.89Å; A155-L203 HydrophobicContact CB-CD2 3.92Å; A155-L203 HydrophobicContact CB-CG 4.36Å; A155-Q215 PolarHBondContact N-O 3.39Å; A155-L216 HydrophobicContact CB-CD1 4.2Å; A155-L216 WeakPolarHBondContact O-CA 3.47Å; A155-F217 PolarHBondContact O-N 3.33Å
156	G	98.8	Very high	98.8	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	145.2	165.7	0	0	0	0	0	110.7	L161 L199	G156-L161 WeakPolarHBondContact O-CD1 3.36Å; G156-L199 WeakPolarHBondContact O-CD1 3.18Å; G156-L199 WeakPolarHBondContact O-CD2 3.33Å
157	A	98.9	Very high	98.8	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	5%	0.047	C	C	.	.			trans	-71.7	155.6	173.9	0	0	0	0	0	111.4	W159 T160 L161 L216 F217 E218	A157-W159 PolarHBondContact O-N 2.92Å; A157-T160 PolarHBondContact O-N 3.21Å; A157-L161 WeakPolarHBondContact O-CG 3.43Å; A157-L161 PolarHBondContact O-N 3.29Å; A157-L216 HydrophobicContact CB-CD2 3.91Å; A157-L216 HydrophobicContact CB-CG 3.85Å; A157-F217 PolarHBondContact N-O 2.9Å; A157-E218 HydrophobicContact CB-CB 3.71Å; A157-E218 HydrophobicContact CB-CG 4.1Å; A157-E218 WeakPolarHBondContact CB-OE1 3.17Å; A157-E218 WeakPolarHBondContact CB-OE2 3.2Å
158	P	98.9	Very high	98.8	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-52.1	-45.8	-176.4	-30.6	37.6	0	0	0	114.4	L161 M162 L192 L195 T196 L199 Y236 V240	P158-L161 PolarHBondContact O-N 3.09Å; P158-M162 WeakPolarHBondContact O-CB 3.47Å; P158-M162 PolarHBondContact O-N 3.28Å; P158-L192 HydrophobicContact CB-CD2 3.88Å; P158-L195 HydrophobicContact CB-CB 4.21Å; P158-L195 VanDerWaalsContact O-CD1 3.31Å; P158-L195 WeakPolarHBondContact O-CD1 3.14Å; P158-T196 WeakPolarHBondContact CG-OG1 3.45Å; P158-L199 HydrophobicContact CG-CD1 3.73Å; P158-Y236 HydrophobicContact CB-CG 4.49Å; P158-V240 HydrophobicContact CG-CG2 4.33Å
159	W	98.9	Very high	98.7	Very high	0 Å²	0	5.6 Å²	5.6	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-64.9	-49.7	179.6	160.3	-111.2	0	0	0	111.4	A157 L161 M162 T163 A177 K178 L181 L192 E218 H220 L224 A233	A157-W159 PolarHBondContact O-N 2.92Å; W159-L161 VanDerWaalsContact C-N 3.32Å; W159-L161 PolarHBondContact O-N 2.95Å; W159-M162 HydrophobicContact CE3-SD 4.23Å; W159-M162 HydrophobicContact CZ3-SD 4.29Å; W159-M162 WeakPolarHBondContact O-CB 3.43Å; W159-M162 PolarHBondContact O-N 3.15Å; W159-M162 VanDerWaalsContact O-N 3.12Å; W159-T163 HydrophobicContact CD2-CG2 3.86Å; W159-T163 VanDerWaalsContact CE2-CG2 3.47Å; W159-T163 HydrophobicContact CE3-CG2 4.1Å; W159-T163 HydrophobicContact CH2-CG2 3.67Å; W159-T163 HydrophobicContact CZ2-CG2 3.38Å; W159-T163 HydrophobicContact CZ3-CG2 4Å; W159-T163 WeakPolarHBondContact O-CG2 3.37Å; W159-T163 PolarHBondContact O-N 3.27Å; W159-A177 HydrophobicContact CH2-CB 3.76Å; W159-A177 HydrophobicContact CZ3-CB 4.13Å; W159-K178 HydrophobicContact CH2-CG 4.16Å; W159-L181 HydrophobicContact CE3-CD1 4.17Å; W159-L181 HydrophobicContact CE3-CD2 4.34Å; W159-L181 HydrophobicContact CH2-CD1 3.8Å; W159-L181 HydrophobicContact CH2-CG 4.26Å; W159-L181 HydrophobicContact CZ3-CD1 3.54Å; W159-L181 HydrophobicContact CZ3-CD2 3.83Å; W159-L181 HydrophobicContact CZ3-CG 3.79Å; W159-L192 HydrophobicContact CB-CD2 4.4Å; W159-E218 WeakPolarHBondContact CB-OE1 3.19Å; W159-H220 PolarHBondContact NE1-O 3.16Å; W159-L224 HydrophobicContact CD2-CD1 3.85Å; W159-L224 HydrophobicContact CD2-CG 4.41Å; W159-L224 HydrophobicContact CE3-CD1 4.49Å; W159-L224 HydrophobicContact CG-CD1 4.05Å; W159-L224 HydrophobicContact CH2-CD2 3.81Å; W159-L224 HydrophobicContact CZ2-CD1 4.08Å; W159-L224 HydrophobicContact CZ2-CD2 3.42Å; W159-L224 VanDerWaalsContact CZ2-CD2 3.42Å; W159-L224 HydrophobicContact CZ2-CG 3.74Å; W159-A233 HydrophobicContact CB-CB 3.91Å; W159-A233 HydrophobicContact CG-CB 4.33Å
160	T	98.9	Very high	98.4	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-57	-44.1	177.1	-72.3	0	0	0	0	111.9	I87 A157 T163 Y164 E218 S219 H220	I87-T160 HydrophobicContact CD1-CG2 3.97Å; A157-T160 PolarHBondContact O-N 3.21Å; T160-T163 PolarHBondContact O-N 3.2Å; T160-T163 PolarHBondContact O-OG1 2.69Å; T160-Y164 HydrophobicContact CG2-CD2 4.37Å; T160-Y164 HydrophobicContact CG2-CE2 4.21Å; T160-Y164 WeakPolarHBondContact O-CD2 3.31Å; T160-Y164 PolarHBondContact O-N 3.43Å; T160-E218 VanDerWaalsContact CB-OE1 3.23Å; T160-E218 WeakPolarHBondContact CB-OE1 3.24Å; T160-E218 PolarHBondContact N-OE1 3.39Å; T160-E218 VanDerWaalsContact OG1-C 3.28Å; T160-E218 WeakPolarHBondContact OG1-CA 3.14Å; T160-E218 PolarHBondContact OG1-OE1 3.08Å; T160-S219 PolarHBondContact OG1-N 3.03Å; T160-H220 PolarHBondContact OG1-N 3.28Å
161	L	98.9	Very high	98.3	Very high	0 Å²	0	10 Å²	10	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-63.2	-43.7	175.4	-65.5	-177.9	0	0	0	112	I87 V90 P91 G156 A157 P158 W159 T163 Y164 M165 L195 L199	I87-L161 HydrophobicContact CB-CD2 4.09Å; I87-L161 HydrophobicContact CD1-CD2 4.31Å; I87-L161 HydrophobicContact CG1-CD2 4.24Å; I87-L161 WeakPolarHBondContact O-CD2 3.31Å; V90-L161 HydrophobicContact CB-CD1 4.12Å; V90-L161 HydrophobicContact CG1-CD1 4.03Å; P91-L161 HydrophobicContact CG-CB 4.48Å; P91-L161 HydrophobicContact CG-CD2 4.15Å; G156-L161 WeakPolarHBondContact O-CD1 3.36Å; A157-L161 WeakPolarHBondContact O-CG 3.43Å; A157-L161 PolarHBondContact O-N 3.29Å; P158-L161 PolarHBondContact O-N 3.09Å; W159-L161 VanDerWaalsContact C-N 3.32Å; W159-L161 PolarHBondContact O-N 2.95Å; L161-T163 VanDerWaalsContact C-N 3.28Å; L161-T163 PolarHBondContact O-N 3.48Å; L161-Y164 PolarHBondContact O-N 3.07Å; L161-M165 VanDerWaalsContact O-CG 3.29Å; L161-M165 WeakPolarHBondContact O-CG 3.3Å; L161-M165 PolarHBondContact O-N 2.78Å; L161-L195 HydrophobicContact CB-CD1 4.1Å; L161-L195 HydrophobicContact CB-CD2 3.83Å; L161-L195 HydrophobicContact CD1-CD2 3.96Å; L161-L199 HydrophobicContact CD1-CD1 4.14Å; L161-L199 HydrophobicContact CD1-CD2 4.07Å; L161-L199 HydrophobicContact CD1-CG 4.36Å
162	M	98.9	Very high	98.2	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-55.4	-42.6	174.7	169.3	176.1	-179.2	0	0	111.8	P158 W159 Y164 M165 V166 W180 L181 L191 L192 L195	P158-M162 WeakPolarHBondContact O-CB 3.47Å; P158-M162 PolarHBondContact O-N 3.28Å; W159-M162 HydrophobicContact CE3-SD 4.23Å; W159-M162 HydrophobicContact CZ3-SD 4.29Å; W159-M162 WeakPolarHBondContact O-CB 3.43Å; W159-M162 PolarHBondContact O-N 3.15Å; W159-M162 VanDerWaalsContact O-N 3.12Å; M162-Y164 VanDerWaalsContact C-N 3.34Å; M162-Y164 PolarHBondContact O-N 3.5Å; M162-M165 PolarHBondContact O-N 3.38Å; M162-V166 HydrophobicContact CE-CG2 4.38Å; M162-V166 HydrophobicContact CG-CG2 4.2Å; M162-V166 WeakPolarHBondContact O-CB 3.48Å; M162-V166 WeakPolarHBondContact O-CG2 3.26Å; M162-V166 PolarHBondContact O-N 3.47Å; M162-W180 HydrophobicContact CE-CB 3.78Å; M162-W180 HydrophobicContact CE-CD2 4.4Å; M162-W180 HydrophobicContact CE-CE3 4.09Å; M162-W180 HydrophobicContact CE-CG 4.34Å; M162-L181 HydrophobicContact CE-CD2 3.91Å; M162-L181 HydrophobicContact SD-CD2 4.23Å; M162-L191 HydrophobicContact CB-CD2 4.23Å; M162-L191 HydrophobicContact CE-CD2 4.42Å; M162-L191 HydrophobicContact CG-CD2 3.72Å; M162-L191 HydrophobicContact CG-CG 4.42Å; M162-L191 HydrophobicContact SD-CD2 4.24Å; M162-L192 HydrophobicContact CB-CD2 4.17Å; M162-L192 HydrophobicContact SD-CD1 4.15Å; M162-L192 HydrophobicContact SD-CD2 3.96Å; M162-L192 HydrophobicContact SD-CG 3.85Å; M162-L195 HydrophobicContact CB-CD1 3.92Å
163	T	98.9	Very high	98.2	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-60.2	-43.2	179.3	65.1	0	0	0	0	112.3	W159 T160 L161 V166 E167 M174 A177 H220	W159-T163 HydrophobicContact CD2-CG2 3.86Å; W159-T163 VanDerWaalsContact CE2-CG2 3.47Å; W159-T163 HydrophobicContact CE3-CG2 4.1Å; W159-T163 HydrophobicContact CH2-CG2 3.67Å; W159-T163 HydrophobicContact CZ2-CG2 3.38Å; W159-T163 HydrophobicContact CZ3-CG2 4Å; W159-T163 WeakPolarHBondContact O-CG2 3.37Å; W159-T163 PolarHBondContact O-N 3.27Å; T160-T163 PolarHBondContact O-N 3.2Å; T160-T163 PolarHBondContact O-OG1 2.69Å; L161-T163 VanDerWaalsContact C-N 3.28Å; L161-T163 PolarHBondContact O-N 3.48Å; T163-V166 PolarHBondContact O-N 2.98Å; T163-E167 WeakPolarHBondContact O-CB 3.38Å; T163-E167 VanDerWaalsContact O-CG 3.24Å; T163-E167 WeakPolarHBondContact O-CG 3.48Å; T163-E167 PolarHBondContact O-N 3Å; T163-M174 HydrophobicContact CG2-CG 4.34Å; T163-M174 HydrophobicContact CG2-SD 4.11Å; T163-A177 HydrophobicContact CG2-CB 3.98Å; T163-H220 HydrophobicContact CG2-CB 4.3Å; T163-H220 PolarHBondContact OG1-CE1 2.9Å; T163-H220 PolarHBondContact OG1-ND1 2.9Å
164	Y	98.8	Very high	98.2	Very high	40 Å²	40	18.8 Å²	18.8	16%	0.157	13%	0.129	C	C	.	.	H	α-helix	trans	-64.1	-42.9	176.8	-83.4	-75.6	0	0	0	111.8	I87 L88 P106 T160 L161 M162 V166 G168 G169 H220	I87-Y164 HydrophobicContact CD1-CD2 4.35Å; I87-Y164 HydrophobicContact CD1-CE2 3.86Å; L88-Y164 HydrophobicContact CD1-CD1 4.32Å; L88-Y164 HydrophobicContact CD1-CE1 4.49Å; L88-Y164 HydrophobicContact CD2-CD1 4Å; L88-Y164 HydrophobicContact CD2-CD2 3.74Å; L88-Y164 HydrophobicContact CD2-CE2 4.3Å; L88-Y164 HydrophobicContact CD2-CG 3.57Å; P106-Y164 HydrophobicContact CG-CE1 4.19Å; T160-Y164 HydrophobicContact CG2-CD2 4.37Å; T160-Y164 HydrophobicContact CG2-CE2 4.21Å; T160-Y164 WeakPolarHBondContact O-CD2 3.31Å; T160-Y164 PolarHBondContact O-N 3.43Å; L161-Y164 PolarHBondContact O-N 3.07Å; M162-Y164 VanDerWaalsContact C-N 3.34Å; M162-Y164 PolarHBondContact O-N 3.5Å; Y164-V166 VanDerWaalsContact C-N 3.32Å; Y164-V166 PolarHBondContact O-N 3.17Å; Y164-G168 VanDerWaalsContact O-CA 3.28Å; Y164-G168 WeakPolarHBondContact O-CA 3.41Å; Y164-G168 PolarHBondContact O-N 2.98Å; Y164-G169 PolarHBondContact O-N 3.4Å; Y164-H220 AromaticContact CD2-CE1 3.81Å; Y164-H220 AromaticContact CE2-CE1 3.25Å; Y164-H220 WeakPolarHBondContact CE2-CE1 3.24Å; Y164-H220 AromaticContact CZ-CE1 3.6Å
165	M	98.9	Very high	98.2	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-65.3	-34.4	-179.6	-64.3	169.8	79.1	0	0	112.3	P91 L94 M96 P111 L112 L121 L161 M162 L191 L195	P91-M165 HydrophobicContact CB-CG 3.91Å; P91-M165 HydrophobicContact CB-SD 4.24Å; P91-M165 HydrophobicContact CG-CG 3.96Å; P91-M165 HydrophobicContact CG-SD 4.09Å; L94-M165 HydrophobicContact CD1-CE 4.27Å; M96-M165 HydrophobicContact CE-CB 4.22Å; M96-M165 HydrophobicContact CG-CE 4.39Å; M96-M165 HydrophobicContact SD-CB 3.73Å; M96-M165 HydrophobicContact SD-CE 3.42Å; M96-M165 WeakPolarHBondContact SD-CE 3.43Å; M96-M165 HydrophobicContact SD-CG 3.57Å; M96-M165 VanDerWaalsContact SD-CG 3.57Å; M96-M165 HydrophobicContact SD-SD 4.33Å; P111-M165 CarbonylContact C-O 3.43Å; P111-M165 VanDerWaalsContact CA-O 3.29Å; P111-M165 WeakPolarHBondContact CA-O 3.43Å; P111-M165 VanDerWaalsContact CB-O 3.25Å; P111-M165 WeakPolarHBondContact CB-O 3.46Å; L112-M165 HydrophobicContact CD1-CB 3.97Å; L112-M165 HydrophobicContact CD1-CE 3.88Å; L112-M165 HydrophobicContact CG-CB 4.31Å; L112-M165 PolarHBondContact N-O 3Å; L121-M165 HydrophobicContact CD1-CE 4.06Å; L121-M165 HydrophobicContact CD2-CE 3.97Å; L161-M165 VanDerWaalsContact O-CG 3.29Å; L161-M165 WeakPolarHBondContact O-CG 3.3Å; L161-M165 PolarHBondContact O-N 2.78Å; M162-M165 PolarHBondContact O-N 3.38Å; M165-L191 HydrophobicContact CE-CD1 3.88Å; M165-L191 HydrophobicContact SD-CD1 4.26Å; M165-L195 HydrophobicContact SD-CD1 4.06Å; M165-L195 HydrophobicContact SD-CD2 3.73Å; M165-L195 HydrophobicContact SD-CG 4.27Å
166	V	98.8	Very high	98.2	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-88.4	-43.2	-177.9	172.8	0	0	0	0	112.8	L112 M162 T163 Y164 G168 Q176 A177 W180 L191	L112-V166 HydrophobicContact CB-CG2 4.29Å; L112-V166 WeakPolarHBondContact O-CA 3.47Å; M162-V166 HydrophobicContact CE-CG2 4.38Å; M162-V166 HydrophobicContact CG-CG2 4.2Å; M162-V166 WeakPolarHBondContact O-CB 3.48Å; M162-V166 WeakPolarHBondContact O-CG2 3.26Å; M162-V166 PolarHBondContact O-N 3.47Å; T163-V166 PolarHBondContact O-N 2.98Å; Y164-V166 VanDerWaalsContact C-N 3.32Å; Y164-V166 PolarHBondContact O-N 3.17Å; V166-G168 VanDerWaalsContact C-N 3.34Å; V166-Q176 HydrophobicContact CG1-CB 4.03Å; V166-A177 HydrophobicContact CB-CB 4.43Å; V166-A177 HydrophobicContact CG1-CB 4.39Å; V166-W180 HydrophobicContact CG1-CG 4.26Å; V166-W180 HydrophobicContact CG2-CD2 4.33Å; V166-W180 HydrophobicContact CG2-CG 4.5Å; V166-L191 HydrophobicContact CG2-CD2 4.34Å
167	E	98.6	Very high	98.2	Very high	36 Å²	36	24.2 Å²	24.2	17%	0.168	16%	0.163	C	C	.	.	H	α-helix	trans	-74.1	-30.3	178.8	-63.7	-69.1	164.4	0	0	111.4	T163 M174 A175 Q176 A177	T163-E167 WeakPolarHBondContact O-CB 3.38Å; T163-E167 VanDerWaalsContact O-CG 3.24Å; T163-E167 WeakPolarHBondContact O-CG 3.48Å; T163-E167 PolarHBondContact O-N 3Å; E167-M174 HydrophobicContact CG-SD 4.15Å; E167-M174 VanDerWaalsContact OE1-CA 3.27Å; E167-M174 WeakPolarHBondContact OE1-CA 3.46Å; E167-A175 PolarHBondContact OE1-N 3.35Å; E167-Q176 WeakPolarHBondContact OE1-CA 3.23Å; E167-Q176 WeakPolarHBondContact OE1-CB 3.44Å; E167-Q176 PolarHBondContact OE1-N 2.95Å; E167-A177 HydrophobicContact CG-CB 4.37Å; E167-A177 PolarHBondContact OE1-N 2.91Å
168	G	98	Very high	98.2	Very high	9 Å²	9	27.1 Å²	27.1	9%	0.093	18%	0.175	C	C	.	.	S	Bend	trans	83.1	17	-173.7	0	0	0	0	0	114.2	S107 F108 Y164 V166	S107-G168 CarbonylContact C-O 3.52Å; S107-G168 VanDerWaalsContact CA-O 3.27Å; S107-G168 WeakPolarHBondContact CA-O 3.5Å; S107-G168 PolarHBondContact OG-O 3.11Å; F108-G168 PolarHBondContact N-O 2.87Å; Y164-G168 VanDerWaalsContact O-CA 3.28Å; Y164-G168 WeakPolarHBondContact O-CA 3.41Å; Y164-G168 PolarHBondContact O-N 2.98Å; V166-G168 VanDerWaalsContact C-N 3.34Å
169	G	95.9	Very high	98.2	Very high	8 Å²	8	33.5 Å²	33.5	8%	0.082	20%	0.199	C	C	.	.	S	Bend	trans	159.7	-163.2	-176.2	0	0	0	0	0	111.6	Y164	Y164-G169 PolarHBondContact O-N 3.4Å
170	G	93.3	Very high	98.2	Very high	62 Å²	62	33.8 Å²	33.8	64%	0.639	20%	0.2	S	C	*	.			trans	-70.7	150.5	171.4	0	0	0	0	0	112.3
171	S	96.6	Very high	98.2	Very high	35 Å²	35	34 Å²	34	25%	0.245	20%	0.201	C	C	.	.			trans	-142.7	149.3	176.9	178.2	0	0	0	0	109.7	T173 M174	S171-T173 PolarHBondContact OG-N 3.43Å; S171-M174 WeakPolarHBondContact O-CE 3.32Å; S171-M174 PolarHBondContact OG-N 3.45Å
172	S	97.5	Very high	98.2	Very high	109 Å²	109	41.6 Å²	41.6	76%	0.762	23%	0.231	S	C	*	.	S	Bend	trans	-83.8	-14.9	175.5	56	0	0	0	0	113	H223	S172-H223 PolarHBondContact O-CE1 2.58Å; S172-H223 VanDerWaalsContact O-CE1 3.3Å
173	T	98.1	Very high	98.2	Very high	76 Å²	76	47.4 Å²	47.4	47%	0.466	26%	0.258	S	S	.	.	S	Bend	trans	-124.4	-20.6	-173.1	59.4	0	0	0	0	113.9	S171 A175	S171-T173 PolarHBondContact OG-N 3.43Å; T173-A175 PolarHBondContact O-N 3.07Å; T173-A175 WeakPolarHBondContact OG1-CB 3.18Å; T173-A175 PolarHBondContact OG1-N 3.37Å
174	M	98.8	Very high	98.2	Very high	1 Å²	1	51.3 Å²	51.3	1%	0.005	27%	0.273	C	S	.	.			trans	51.3	35.2	-168.5	-54.1	-58	160	0	0	112	T163 E167 S171 Q176 A177 K178 H220 H223	T163-M174 HydrophobicContact CG2-CG 4.34Å; T163-M174 HydrophobicContact CG2-SD 4.11Å; E167-M174 HydrophobicContact CG-SD 4.15Å; E167-M174 VanDerWaalsContact OE1-CA 3.27Å; E167-M174 WeakPolarHBondContact OE1-CA 3.46Å; S171-M174 WeakPolarHBondContact O-CE 3.32Å; S171-M174 PolarHBondContact OG-N 3.45Å; M174-Q176 PolarHBondContact O-N 3.3Å; M174-A177 HydrophobicContact CB-CB 4.36Å; M174-A177 PolarHBondContact O-N 3.03Å; M174-K178 HydrophobicContact CB-CD 4.31Å; M174-K178 HydrophobicContact CB-CG 4.43Å; M174-K178 VanDerWaalsContact O-CB 3.32Å; M174-K178 WeakPolarHBondContact O-CB 3.38Å; M174-K178 VanDerWaalsContact O-CG 3.28Å; M174-K178 WeakPolarHBondContact O-CG 3.43Å; M174-K178 PolarHBondContact O-N 3.23Å; M174-H220 HydrophobicContact CE-CB 4.5Å; M174-H223 HydrophobicContact CB-CB 4Å; M174-H223 WeakPolarHBondContact CE-NE2 3.47Å; M174-H223 HydrophobicContact CG-CB 3.7Å; M174-H223 WeakPolarHBondContact CG-CD2 3.29Å
175	A	98.8	Very high	98.2	Very high	50 Å²	50	51.5 Å²	51.5	41%	0.413	28%	0.279	S	S	.	.	H	α-helix	trans	-62.5	-39.8	-171.4	0	0	0	0	0	113	E167 T173 R179	E167-A175 PolarHBondContact OE1-N 3.35Å; T173-A175 PolarHBondContact O-N 3.07Å; T173-A175 WeakPolarHBondContact OG1-CB 3.18Å; T173-A175 PolarHBondContact OG1-N 3.37Å; A175-R179 WeakPolarHBondContact O-CB 3.42Å; A175-R179 PolarHBondContact O-N 3.44Å
176	Q	98.8	Very high	98.2	Very high	83 Å²	83	59.1 Å²	59.1	39%	0.388	32%	0.315	S	S	.	.	H	α-helix	trans	-72.8	-43.3	178.2	-58.6	-60	-23.4	0	0	110.8	V166 E167 M174 K178 R179 W180	V166-Q176 HydrophobicContact CG1-CB 4.03Å; E167-Q176 WeakPolarHBondContact OE1-CA 3.23Å; E167-Q176 WeakPolarHBondContact OE1-CB 3.44Å; E167-Q176 PolarHBondContact OE1-N 2.95Å; M174-Q176 PolarHBondContact O-N 3.3Å; Q176-K178 VanDerWaalsContact C-N 3.34Å; Q176-K178 PolarHBondContact O-N 2.94Å; Q176-R179 WeakPolarHBondContact O-CB 3.47Å; Q176-R179 PolarHBondContact O-N 2.96Å; Q176-W180 PolarHBondContact O-N 3.38Å
177	A	98.9	Very high	98.2	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-62.1	-41.1	176.6	0	0	0	0	0	111.8	W159 T163 V166 E167 M174 W180 L181	W159-A177 HydrophobicContact CH2-CB 3.76Å; W159-A177 HydrophobicContact CZ3-CB 4.13Å; T163-A177 HydrophobicContact CG2-CB 3.98Å; V166-A177 HydrophobicContact CB-CB 4.43Å; V166-A177 HydrophobicContact CG1-CB 4.39Å; E167-A177 HydrophobicContact CG-CB 4.37Å; E167-A177 PolarHBondContact OE1-N 2.91Å; M174-A177 HydrophobicContact CB-CB 4.36Å; M174-A177 PolarHBondContact O-N 3.03Å; A177-W180 VanDerWaalsContact O-CB 3.3Å; A177-W180 WeakPolarHBondContact O-CB 3.47Å; A177-W180 PolarHBondContact O-N 3.47Å; A177-L181 PolarHBondContact O-N 2.65Å
178	K	98.9	Very high	98.2	Very high	60 Å²	60	57.4 Å²	57.4	26%	0.261	31%	0.307	S	S	.	.	H	α-helix	trans	-70.5	-35.3	174.4	-70.6	168.2	64.5	168.5	0	112.3	W159 M174 Q176 W180 L181 Y182 H223 L224	W159-K178 HydrophobicContact CH2-CG 4.16Å; M174-K178 HydrophobicContact CB-CD 4.31Å; M174-K178 HydrophobicContact CB-CG 4.43Å; M174-K178 VanDerWaalsContact O-CB 3.32Å; M174-K178 WeakPolarHBondContact O-CB 3.38Å; M174-K178 VanDerWaalsContact O-CG 3.28Å; M174-K178 WeakPolarHBondContact O-CG 3.43Å; M174-K178 PolarHBondContact O-N 3.23Å; Q176-K178 VanDerWaalsContact C-N 3.34Å; Q176-K178 PolarHBondContact O-N 2.94Å; K178-W180 PolarHBondContact O-N 2.96Å; K178-L181 WeakPolarHBondContact O-CB 3.39Å; K178-L181 PolarHBondContact O-N 3.22Å; K178-L181 VanDerWaalsContact O-N 3.08Å; K178-Y182 WeakPolarHBondContact O-CD2 3.39Å; K178-Y182 PolarHBondContact O-N 3.48Å; K178-H223 WeakPolarHBondContact CD-O 3.39Å; K178-H223 WeakPolarHBondContact CE-O 3.48Å; K178-H223 PolarHBondContact NZ-O 2.73Å; K178-L224 HydrophobicContact CG-CD2 4.06Å
179	R	98.9	Very high	98.2	Very high	134 Å²	134	59.6 Å²	59.6	51%	0.506	32%	0.315	S	S	.	.	H	α-helix	trans	-58	-39.7	172.3	-179.4	178.8	-178.7	165.9	2.1	110.9	A175 Q176 Y182 Q183	A175-R179 WeakPolarHBondContact O-CB 3.42Å; A175-R179 PolarHBondContact O-N 3.44Å; Q176-R179 WeakPolarHBondContact O-CB 3.47Å; Q176-R179 PolarHBondContact O-N 2.96Å; R179-Y182 PolarHBondContact O-N 3.01Å; R179-Q183 HydrophobicContact CG-CG 4.18Å; R179-Q183 VanDerWaalsContact O-CB 3.31Å; R179-Q183 WeakPolarHBondContact O-CB 3.13Å; R179-Q183 PolarHBondContact O-N 3.31Å
180	W	98.9	Very high	98.4	Very high	6 Å²	6	63.5 Å²	63.5	2%	0.023	33%	0.331	C	S	.	.	H	α-helix	trans	-58.5	-49	170.7	-91.6	67.9	0	0	0	112	L112 R113 E114 L118 M162 V166 Q176 A177 K178 Y182 Q183 R184 A187 S188	L112-W180 HydrophobicContact CB-CZ2 4.3Å; R113-W180 PolarHBondContact O-NE1 3.46Å; E114-W180 VanDerWaalsContact O-CH2 3.28Å; E114-W180 WeakPolarHBondContact O-CH2 3.47Å; E114-W180 WeakPolarHBondContact O-CZ2 3.48Å; L118-W180 HydrophobicContact CD2-CH2 4.34Å; M162-W180 HydrophobicContact CE-CB 3.78Å; M162-W180 HydrophobicContact CE-CD2 4.4Å; M162-W180 HydrophobicContact CE-CE3 4.09Å; M162-W180 HydrophobicContact CE-CG 4.34Å; V166-W180 HydrophobicContact CG1-CG 4.26Å; V166-W180 HydrophobicContact CG2-CD2 4.33Å; V166-W180 HydrophobicContact CG2-CG 4.5Å; Q176-W180 PolarHBondContact O-N 3.38Å; A177-W180 VanDerWaalsContact O-CB 3.3Å; A177-W180 WeakPolarHBondContact O-CB 3.47Å; A177-W180 PolarHBondContact O-N 3.47Å; K178-W180 PolarHBondContact O-N 2.96Å; W180-Y182 VanDerWaalsContact C-N 3.25Å; W180-Y182 PolarHBondContact O-N 3.48Å; W180-Q183 PolarHBondContact O-N 3.31Å; W180-R184 HydrophobicContact CE3-CB 4.35Å; W180-R184 CarbonylContact O-C 3.07Å; W180-R184 WeakPolarHBondContact O-CA 3.24Å; W180-R184 WeakPolarHBondContact O-CB 3.24Å; W180-R184 PolarHBondContact O-N 2.78Å; W180-A187 HydrophobicContact CE3-CB 4.33Å; W180-A187 HydrophobicContact CZ3-CB 3.84Å; W180-S188 PolarHBondContact O-OG 3.4Å; W180-S188 VanDerWaalsContact O-OG 3.08Å
181	L	98.9	Very high	98.6	Very high	4 Å²	4	60.6 Å²	60.6	2%	0.021	30%	0.301	C	S	.	.	H	α-helix	trans	-58.1	-38.4	179.9	-57	-169.3	0	0	0	113	W159 M162 A177 K178 L224 L228 F232	W159-L181 HydrophobicContact CE3-CD1 4.17Å; W159-L181 HydrophobicContact CE3-CD2 4.34Å; W159-L181 HydrophobicContact CH2-CD1 3.8Å; W159-L181 HydrophobicContact CH2-CG 4.26Å; W159-L181 HydrophobicContact CZ3-CD1 3.54Å; W159-L181 HydrophobicContact CZ3-CD2 3.83Å; W159-L181 HydrophobicContact CZ3-CG 3.79Å; M162-L181 HydrophobicContact CE-CD2 3.91Å; M162-L181 HydrophobicContact SD-CD2 4.23Å; A177-L181 PolarHBondContact O-N 2.65Å; K178-L181 WeakPolarHBondContact O-CB 3.39Å; K178-L181 PolarHBondContact O-N 3.22Å; K178-L181 VanDerWaalsContact O-N 3.08Å; L181-L224 HydrophobicContact CD1-CD2 3.74Å; L181-L228 HydrophobicContact CB-CD2 4.29Å; L181-L228 HydrophobicContact CD1-CB 4.44Å; L181-L228 HydrophobicContact CD1-CD1 4.17Å; L181-L228 HydrophobicContact CD1-CD2 4.4Å; L181-F232 HydrophobicContact CB-CD2 4.11Å; L181-F232 HydrophobicContact CB-CE2 3.94Å; L181-F232 HydrophobicContact CB-CZ 4.25Å; L181-F232 HydrophobicContact CD1-CB 4.07Å; L181-F232 HydrophobicContact CD1-CD2 3.93Å; L181-F232 HydrophobicContact CD1-CG 4.1Å; L181-F232 HydrophobicContact CD2-CB 4.03Å; L181-F232 HydrophobicContact CD2-CD1 3.79Å; L181-F232 HydrophobicContact CD2-CD2 4.15Å; L181-F232 HydrophobicContact CD2-CE1 4.19Å; L181-F232 HydrophobicContact CD2-CG 3.75Å; L181-F232 HydrophobicContact CG-CD2 4.28Å; L181-F232 HydrophobicContact CG-CG 4.34Å; L181-F232 WeakPolarHBondContact O-CZ 3.47Å
182	Y	98.9	Very high	98.8	Very high	160 Å²	160	58.9 Å²	58.9	63%	0.627	29%	0.289	S	S	*	.	H	α-helix	trans	-81.5	-44.8	-179.6	-74	-66.4	0	0	0	113.8	K178 R179 W180 L228	K178-Y182 WeakPolarHBondContact O-CD2 3.39Å; K178-Y182 PolarHBondContact O-N 3.48Å; R179-Y182 PolarHBondContact O-N 3.01Å; W180-Y182 VanDerWaalsContact C-N 3.25Å; W180-Y182 PolarHBondContact O-N 3.48Å; Y182-L228 HydrophobicContact CE1-CD1 4.35Å; Y182-L228 HydrophobicContact CE1-CD2 4.2Å; Y182-L228 HydrophobicContact CE2-CD1 3.72Å; Y182-L228 WeakPolarHBondContact OH-CD1 3.43Å
183	Q	98.8	Very high	98.8	Very high	122 Å²	122	56.5 Å²	56.5	57%	0.57	27%	0.271	S	S	*	.	H	α-helix	trans	-96.4	-22.5	-171.6	-62.4	-174.4	-9.5	0	0	113.3	R179 W180 P185	R179-Q183 HydrophobicContact CG-CG 4.18Å; R179-Q183 VanDerWaalsContact O-CB 3.31Å; R179-Q183 WeakPolarHBondContact O-CB 3.13Å; R179-Q183 PolarHBondContact O-N 3.31Å; W180-Q183 PolarHBondContact O-N 3.31Å; Q183-P185 VanDerWaalsContact C-CD 3.42Å
184	R	98.6	Very high	98.9	Very high	83 Å²	83	54.1 Å²	54.1	31%	0.313	26%	0.256	S	S	.	.			trans	-131.9	53.2	-176	-51.8	-179.6	-172.7	-96.1	11	110.9	R113 W180 Q186 A187 S188	R113-R184 PolarHBondContact O-NH2 3.5Å; W180-R184 HydrophobicContact CE3-CB 4.35Å; W180-R184 CarbonylContact O-C 3.07Å; W180-R184 WeakPolarHBondContact O-CA 3.24Å; W180-R184 WeakPolarHBondContact O-CB 3.24Å; W180-R184 PolarHBondContact O-N 2.78Å; R184-Q186 VanDerWaalsContact C-N 3.29Å; R184-Q186 PolarHBondContact O-N 3.16Å; R184-A187 HydrophobicContact CB-CB 4.23Å; R184-A187 PolarHBondContact O-N 2.65Å; R184-S188 WeakPolarHBondContact O-CB 3.25Å; R184-S188 PolarHBondContact O-N 3.09Å; R184-S188 PolarHBondContact O-OG 3.38Å
185	P	98.8	Very high	98.9	Very high	44 Å²	44	54.1 Å²	54.1	29%	0.286	26%	0.255	S	S	.	.	H	α-helix	trans	-62.3	-35	-173.1	24.8	-34.9	0	0	0	113	Q183 H189 F232	Q183-P185 VanDerWaalsContact C-CD 3.42Å; P185-H189 PolarHBondContact O-CD2 3.06Å; P185-H189 PolarHBondContact O-N 3.45Å; P185-F232 HydrophobicContact CB-CE1 4.43Å; P185-F232 HydrophobicContact CB-CZ 4.02Å
186	Q	98.9	Very high	98.9	Very high	159 Å²	159	51.8 Å²	51.8	74%	0.743	24%	0.236	S	C	*	.	H	α-helix	trans	-67.6	-53	178.8	-65.5	175.8	9.8	0	0	111.3	R184 S188 H189 Q190	R184-Q186 VanDerWaalsContact C-N 3.29Å; R184-Q186 PolarHBondContact O-N 3.16Å; Q186-S188 VanDerWaalsContact C-N 3.26Å; Q186-S188 PolarHBondContact O-N 3Å; Q186-H189 PolarHBondContact O-N 3Å; Q186-H189 VanDerWaalsContact O-N 3.13Å; Q186-Q190 PolarHBondContact O-N 3.13Å
187	A	98.9	Very high	98.9	Very high	1 Å²	1	50.6 Å²	50.6	1%	0.008	23%	0.233	C	C	.	.	H	α-helix	trans	-60.3	-35	175.2	0	0	0	0	0	112.7	E115 L118 W180 R184 Q190 L191	E115-A187 HydrophobicContact CB-CB 4.04Å; E115-A187 HydrophobicContact CG-CB 3.74Å; L118-A187 HydrophobicContact CD1-CB 4.38Å; W180-A187 HydrophobicContact CE3-CB 4.33Å; W180-A187 HydrophobicContact CZ3-CB 3.84Å; R184-A187 HydrophobicContact CB-CB 4.23Å; R184-A187 PolarHBondContact O-N 2.65Å; A187-Q190 WeakPolarHBondContact O-CB 3.2Å; A187-Q190 PolarHBondContact O-N 3.12Å; A187-L191 PolarHBondContact O-N 3.01Å
188	S	98.9	Very high	98.9	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-62.7	-48.2	173.8	-58.4	0	0	0	0	111.2	W180 R184 Q186 Q190 L191 L192	W180-S188 PolarHBondContact O-OG 3.4Å; W180-S188 VanDerWaalsContact O-OG 3.08Å; R184-S188 WeakPolarHBondContact O-CB 3.25Å; R184-S188 PolarHBondContact O-N 3.09Å; R184-S188 PolarHBondContact O-OG 3.38Å; Q186-S188 VanDerWaalsContact C-N 3.26Å; Q186-S188 PolarHBondContact O-N 3Å; S188-Q190 VanDerWaalsContact C-N 3.29Å; S188-Q190 PolarHBondContact O-N 3.09Å; S188-L191 PolarHBondContact O-N 3.28Å; S188-L192 WeakPolarHBondContact O-CB 3.44Å; S188-L192 WeakPolarHBondContact O-CD1 3.48Å; S188-L192 WeakPolarHBondContact O-CG 3.25Å; S188-L192 PolarHBondContact O-N 2.91Å
189	H	98.9	Very high	98.9	Very high	55 Å²	55	47.8 Å²	47.8	26%	0.255	22%	0.22	S	C	.	.	H	α-helix	trans	-61.6	-38.3	175.5	-78.5	-60.4	0	0	0	112.1	P185 Q186 L192 C193 K231 F232 Y236	P185-H189 PolarHBondContact O-CD2 3.06Å; P185-H189 PolarHBondContact O-N 3.45Å; Q186-H189 PolarHBondContact O-N 3Å; Q186-H189 VanDerWaalsContact O-N 3.13Å; H189-L192 PolarHBondContact O-N 3.23Å; H189-C193 WeakPolarHBondContact O-CB 3.41Å; H189-C193 PolarHBondContact O-N 2.74Å; H189-C193 PolarHBondContact O-SG 3.07Å; H189-K231 PolarHBondContact CE1-O 3.37Å; H189-F232 AromaticContact CD2-CE1 3.64Å; H189-F232 AromaticContact CE1-CD1 3.57Å; H189-F232 AromaticContact CE1-CE1 3.56Å; H189-F232 AromaticContact ND1-CD1 3.88Å; H189-F232 AromaticContact ND1-CE1 3.98Å; H189-F232 AromaticContact NE2-CD1 3.84Å; H189-F232 AromaticContact NE2-CE1 3.31Å; H189-F232 VanDerWaalsContact NE2-CE1 3.31Å; H189-F232 WeakPolarHBondContact NE2-CE1 3.3Å; H189-F232 AromaticContact NE2-CZ 3.93Å; H189-Y236 VanDerWaalsContact CA-OH 3.25Å; H189-Y236 WeakPolarHBondContact CA-OH 3.42Å; H189-Y236 WeakPolarHBondContact CB-OH 3.41Å; H189-Y236 AromaticContact ND1-CE2 3.95Å; H189-Y236 AromaticContact ND1-CZ 3.76Å; H189-Y236 PolarHBondContact ND1-OH 3.02Å; H189-Y236 PolarHBondContact O-OH 3.43Å
190	Q	98.9	Very high	98.9	Very high	90 Å²	90	41.5 Å²	41.5	42%	0.421	20%	0.197	S	C	.	.	H	α-helix	trans	-61.1	-49	175.5	-176.5	-177.1	-1.3	0	0	111.9	L118 Q186 A187 S188 L192 C193 I194	L118-Q190 HydrophobicContact CD1-CB 4.32Å; L118-Q190 HydrophobicContact CD1-CG 4.15Å; Q186-Q190 PolarHBondContact O-N 3.13Å; A187-Q190 WeakPolarHBondContact O-CB 3.2Å; A187-Q190 PolarHBondContact O-N 3.12Å; S188-Q190 VanDerWaalsContact C-N 3.29Å; S188-Q190 PolarHBondContact O-N 3.09Å; Q190-L192 PolarHBondContact O-N 3.46Å; Q190-C193 WeakPolarHBondContact O-CB 3.41Å; Q190-C193 PolarHBondContact O-N 3.35Å; Q190-I194 HydrophobicContact CG-CD1 4.22Å; Q190-I194 WeakPolarHBondContact O-CG1 3.28Å; Q190-I194 PolarHBondContact O-N 3.39Å
191	L	98.9	Very high	98.9	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-62.6	-42.4	177.7	176.2	56.6	0	0	0	112	L112 L118 L121 M162 M165 V166 A187 S188 C193 I194 L195	L112-L191 HydrophobicContact CD1-CD1 3.97Å; L112-L191 HydrophobicContact CD1-CD2 3.71Å; L118-L191 HydrophobicContact CD2-CB 4.01Å; L118-L191 HydrophobicContact CD2-CD1 3.97Å; L118-L191 HydrophobicContact CD2-CD2 4.27Å; L118-L191 HydrophobicContact CD2-CG 4.3Å; L121-L191 HydrophobicContact CD1-CD1 3.85Å; M162-L191 HydrophobicContact CB-CD2 4.23Å; M162-L191 HydrophobicContact CE-CD2 4.42Å; M162-L191 HydrophobicContact CG-CD2 3.72Å; M162-L191 HydrophobicContact CG-CG 4.42Å; M162-L191 HydrophobicContact SD-CD2 4.24Å; M165-L191 HydrophobicContact CE-CD1 3.88Å; M165-L191 HydrophobicContact SD-CD1 4.26Å; V166-L191 HydrophobicContact CG2-CD2 4.34Å; A187-L191 PolarHBondContact O-N 3.01Å; S188-L191 PolarHBondContact O-N 3.28Å; L191-C193 VanDerWaalsContact C-N 3.32Å; L191-C193 PolarHBondContact O-N 3.36Å; L191-I194 PolarHBondContact O-N 3.31Å; L191-L195 HydrophobicContact CD1-CD1 4.15Å; L191-L195 HydrophobicContact CD1-CG 4.3Å; L191-L195 HydrophobicContact CG-CD1 4.1Å; L191-L195 WeakPolarHBondContact O-CB 3.48Å; L191-L195 WeakPolarHBondContact O-CG 3.41Å; L191-L195 PolarHBondContact O-N 3.34Å
192	L	98.9	Very high	98.9	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-65.3	-35.3	177.2	-68.6	161.6	0	0	0	112.1	P158 W159 M162 S188 H189 Q190 T196 F232 Y236	P158-L192 HydrophobicContact CB-CD2 3.88Å; W159-L192 HydrophobicContact CB-CD2 4.4Å; M162-L192 HydrophobicContact CB-CD2 4.17Å; M162-L192 HydrophobicContact SD-CD1 4.15Å; M162-L192 HydrophobicContact SD-CD2 3.96Å; M162-L192 HydrophobicContact SD-CG 3.85Å; S188-L192 WeakPolarHBondContact O-CB 3.44Å; S188-L192 WeakPolarHBondContact O-CD1 3.48Å; S188-L192 WeakPolarHBondContact O-CG 3.25Å; S188-L192 PolarHBondContact O-N 2.91Å; H189-L192 PolarHBondContact O-N 3.23Å; Q190-L192 PolarHBondContact O-N 3.46Å; L192-T196 WeakPolarHBondContact O-CB 3.32Å; L192-T196 PolarHBondContact O-N 3.48Å; L192-T196 PolarHBondContact O-OG1 3.39Å; L192-F232 HydrophobicContact CD1-CB 4.05Å; L192-F232 HydrophobicContact CD1-CD1 3.94Å; L192-F232 VanDerWaalsContact CD1-O 3.26Å; L192-F232 WeakPolarHBondContact CD1-O 3.37Å; L192-Y236 HydrophobicContact CB-CD1 3.98Å; L192-Y236 HydrophobicContact CB-CD2 3.84Å; L192-Y236 HydrophobicContact CB-CE1 3.62Å; L192-Y236 HydrophobicContact CB-CE2 3.5Å; L192-Y236 HydrophobicContact CB-CG 4.05Å; L192-Y236 HydrophobicContact CD1-CD2 4.1Å; L192-Y236 HydrophobicContact CD1-CE2 3.56Å; L192-Y236 HydrophobicContact CD2-CD2 4.46Å; L192-Y236 HydrophobicContact CG-CD2 4.36Å; L192-Y236 HydrophobicContact CG-CE2 4.08Å
193	C	98.9	Very high	98.9	Very high	58 Å²	58	35.7 Å²	35.7	39%	0.392	18%	0.179	S	C	.	.	H	α-helix	trans	-63.4	-49.9	170.4	-73.3	0	0	0	0	111.4	H189 Q190 L191 L195 T196 D197	H189-C193 WeakPolarHBondContact O-CB 3.41Å; H189-C193 PolarHBondContact O-N 2.74Å; H189-C193 PolarHBondContact O-SG 3.07Å; Q190-C193 WeakPolarHBondContact O-CB 3.41Å; Q190-C193 PolarHBondContact O-N 3.35Å; L191-C193 VanDerWaalsContact C-N 3.32Å; L191-C193 PolarHBondContact O-N 3.36Å; C193-L195 VanDerWaalsContact C-N 3.3Å; C193-L195 PolarHBondContact O-N 3.32Å; C193-T196 WeakPolarHBondContact O-CB 3.48Å; C193-T196 PolarHBondContact O-N 2.9Å; C193-T196 VanDerWaalsContact O-N 3.11Å; C193-D197 WeakPolarHBondContact O-CB 3.44Å; C193-D197 PolarHBondContact O-N 3.06Å
194	I	98.9	Very high	98.9	Very high	27 Å²	27	31 Å²	31	14%	0.138	16%	0.159	C	C	.	.	H	α-helix	trans	-54.1	-48.5	176.6	-71.3	160.1	0	0	0	110.5	L94 L121 P124 Q190 L191 T196 D197 A198	L94-I194 HydrophobicContact CD1-CG2 4.38Å; L94-I194 HydrophobicContact CD2-CG2 3.88Å; L121-I194 HydrophobicContact CD1-CD1 4.47Å; L121-I194 HydrophobicContact CD1-CG2 4.48Å; P124-I194 HydrophobicContact CB-CG2 4.32Å; P124-I194 WeakPolarHBondContact CB-O 3.41Å; P124-I194 HydrophobicContact CG-CG2 4.4Å; Q190-I194 HydrophobicContact CG-CD1 4.22Å; Q190-I194 WeakPolarHBondContact O-CG1 3.28Å; Q190-I194 PolarHBondContact O-N 3.39Å; L191-I194 PolarHBondContact O-N 3.31Å; I194-T196 VanDerWaalsContact C-N 3.35Å; I194-T196 PolarHBondContact O-N 3.01Å; I194-D197 PolarHBondContact O-N 3.46Å; I194-A198 WeakPolarHBondContact O-CB 3.49Å; I194-A198 PolarHBondContact O-N 3.45Å
195	L	98.9	Very high	98.9	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-60.7	-43.8	178.3	-76	165.9	0	0	0	112.1	V90 L94 P158 L161 M162 M165 L191 C193 A198 L199	V90-L195 HydrophobicContact CG1-CD2 4.48Å; L94-L195 HydrophobicContact CD1-CD2 3.77Å; P158-L195 HydrophobicContact CB-CB 4.21Å; P158-L195 VanDerWaalsContact O-CD1 3.31Å; P158-L195 WeakPolarHBondContact O-CD1 3.14Å; L161-L195 HydrophobicContact CB-CD1 4.1Å; L161-L195 HydrophobicContact CB-CD2 3.83Å; L161-L195 HydrophobicContact CD1-CD2 3.96Å; M162-L195 HydrophobicContact CB-CD1 3.92Å; M165-L195 HydrophobicContact SD-CD1 4.06Å; M165-L195 HydrophobicContact SD-CD2 3.73Å; M165-L195 HydrophobicContact SD-CG 4.27Å; L191-L195 HydrophobicContact CD1-CD1 4.15Å; L191-L195 HydrophobicContact CD1-CG 4.3Å; L191-L195 HydrophobicContact CG-CD1 4.1Å; L191-L195 WeakPolarHBondContact O-CB 3.48Å; L191-L195 WeakPolarHBondContact O-CG 3.41Å; L191-L195 PolarHBondContact O-N 3.34Å; C193-L195 VanDerWaalsContact C-N 3.3Å; C193-L195 PolarHBondContact O-N 3.32Å; L195-A198 PolarHBondContact O-N 2.86Å; L195-L199 VanDerWaalsContact O-CB 3.32Å; L195-L199 WeakPolarHBondContact O-CB 3.49Å; L195-L199 WeakPolarHBondContact O-CD1 3.45Å; L195-L199 WeakPolarHBondContact O-CG 3.4Å; L195-L199 PolarHBondContact O-N 3.35Å
196	T	98.9	Very high	98.9	Very high	1 Å²	1	25.7 Å²	25.7	1%	0.006	14%	0.138	C	C	.	.	H	α-helix	trans	-63	-43.3	177.1	-57.9	0	0	0	0	111.5	P158 L192 C193 I194 A198 L199 V200 Y236 D239 V240	P158-T196 WeakPolarHBondContact CG-OG1 3.45Å; L192-T196 WeakPolarHBondContact O-CB 3.32Å; L192-T196 PolarHBondContact O-N 3.48Å; L192-T196 PolarHBondContact O-OG1 3.39Å; C193-T196 WeakPolarHBondContact O-CB 3.48Å; C193-T196 PolarHBondContact O-N 2.9Å; C193-T196 VanDerWaalsContact O-N 3.11Å; I194-T196 VanDerWaalsContact C-N 3.35Å; I194-T196 PolarHBondContact O-N 3.01Å; T196-A198 VanDerWaalsContact C-N 3.28Å; T196-A198 PolarHBondContact O-N 3.26Å; T196-L199 PolarHBondContact O-N 3.29Å; T196-V200 HydrophobicContact CG2-CG2 4.48Å; T196-V200 WeakPolarHBondContact O-CG2 3.36Å; T196-V200 PolarHBondContact O-N 3.41Å; T196-V200 VanDerWaalsContact O-N 3.07Å; T196-Y236 VanDerWaalsContact OG1-CD1 3.31Å; T196-Y236 WeakPolarHBondContact OG1-CD1 3.37Å; T196-D239 HydrophobicContact CG2-CB 4.05Å; T196-V240 HydrophobicContact CG2-CG2 4Å
197	D	98.9	Very high	98.9	Very high	59 Å²	59	18.4 Å²	18.4	32%	0.316	10%	0.104	S	C	.	.	H	α-helix	trans	-66.3	-29.3	179	-71.7	-23.4	0	0	0	112.7	P124 C193 I194 P201 R243	P124-D197 HydrophobicContact CB-CB 3.64Å; P124-D197 HydrophobicContact CG-CB 3.68Å; C193-D197 WeakPolarHBondContact O-CB 3.44Å; C193-D197 PolarHBondContact O-N 3.06Å; I194-D197 PolarHBondContact O-N 3.46Å; D197-P201 WeakPolarHBondContact O-CD 3.38Å; D197-P201 VanDerWaalsContact O-CG 3.27Å; D197-P201 WeakPolarHBondContact O-CG 3.28Å; D197-R243 IonicContact OD1-CZ 3.37Å; D197-R243 IonicContact OD1-NH1 2.68Å; D197-R243 PolarHBondContact OD1-NH1 3.03Å; D197-R243 IonicContact OD1-NH2 3.53Å; D197-R243 PolarHBondContact OD1-NH2 2.99Å
198	A	98.9	Very high	98.8	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-78.2	-40	172.6	0	0	0	0	0	112.4	V90 L94 P124 V127 I194 L195 T196 P201 Y202	V90-A198 HydrophobicContact CG1-CB 4.3Å; L94-A198 HydrophobicContact CD2-CB 4.33Å; P124-A198 HydrophobicContact CB-CB 3.91Å; V127-A198 HydrophobicContact CB-CB 3.94Å; V127-A198 HydrophobicContact CG1-CB 4.01Å; V127-A198 HydrophobicContact CG2-CB 3.81Å; I194-A198 WeakPolarHBondContact O-CB 3.49Å; I194-A198 PolarHBondContact O-N 3.45Å; L195-A198 PolarHBondContact O-N 2.86Å; T196-A198 VanDerWaalsContact C-N 3.28Å; T196-A198 PolarHBondContact O-N 3.26Å; A198-P201 WeakPolarHBondContact O-CD 3.09Å; A198-P201 WeakPolarHBondContact O-CG 3.42Å; A198-Y202 WeakPolarHBondContact O-CB 3.35Å; A198-Y202 PolarHBondContact O-N 3.22Å
199	L	98.9	Very high	98.8	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-68.7	-40.5	-176.5	-77.9	167.1	0	0	0	113.1	V90 A155 G156 P158 L161 L195 T196 Y202 L203 V240	V90-L199 HydrophobicContact CG1-CD2 4.43Å; V90-L199 HydrophobicContact CG2-CD2 4.1Å; A155-L199 HydrophobicContact CB-CD2 3.47Å; A155-L199 VanDerWaalsContact CB-CD2 3.47Å; G156-L199 WeakPolarHBondContact O-CD1 3.18Å; G156-L199 WeakPolarHBondContact O-CD2 3.33Å; P158-L199 HydrophobicContact CG-CD1 3.73Å; L161-L199 HydrophobicContact CD1-CD1 4.14Å; L161-L199 HydrophobicContact CD1-CD2 4.07Å; L161-L199 HydrophobicContact CD1-CG 4.36Å; L195-L199 VanDerWaalsContact O-CB 3.32Å; L195-L199 WeakPolarHBondContact O-CB 3.49Å; L195-L199 WeakPolarHBondContact O-CD1 3.45Å; L195-L199 WeakPolarHBondContact O-CG 3.4Å; L195-L199 PolarHBondContact O-N 3.35Å; T196-L199 PolarHBondContact O-N 3.29Å; L199-Y202 HydrophobicContact CD2-CD1 4.49Å; L199-Y202 PolarHBondContact O-N 3.46Å; L199-L203 WeakPolarHBondContact O-CB 3.35Å; L199-L203 WeakPolarHBondContact O-CG 3.29Å; L199-L203 PolarHBondContact O-N 3.23Å; L199-V240 HydrophobicContact CB-CG2 4.46Å
200	V	98.9	Very high	98.8	Very high	3 Å²	3	18.7 Å²	18.7	2%	0.018	12%	0.116	C	C	.	.	H	α-helix	trans	-57.7	-56.9	-178.6	168.9	0	0	0	0	112.5	T196 Y202 L203 V204 R243 V244 R247	T196-V200 HydrophobicContact CG2-CG2 4.48Å; T196-V200 WeakPolarHBondContact O-CG2 3.36Å; T196-V200 PolarHBondContact O-N 3.41Å; T196-V200 VanDerWaalsContact O-N 3.07Å; V200-Y202 VanDerWaalsContact C-N 3.29Å; V200-Y202 PolarHBondContact O-N 3.01Å; V200-L203 PolarHBondContact O-N 3.27Å; V200-V204 VanDerWaalsContact O-CG2 3.23Å; V200-V204 WeakPolarHBondContact O-CG2 3.39Å; V200-V204 PolarHBondContact O-N 2.87Å; V200-R243 HydrophobicContact CB-CB 4.46Å; V200-R243 HydrophobicContact CG1-CB 3.8Å; V200-R243 HydrophobicContact CG2-CB 3.75Å; V200-V244 HydrophobicContact CB-CG2 4.49Å; V200-V244 HydrophobicContact CG1-CG2 4.34Å; V200-V244 HydrophobicContact CG2-CG2 4.4Å; V200-R247 HydrophobicContact CG1-CG 4.27Å
201	P	98.6	Very high	98.8	Very high	44 Å²	44	14.6 Å²	14.6	29%	0.286	10%	0.098	S	C	.	.	H	α-helix	trans	-66.3	-31.4	178.4	27.7	-34.9	0	0	0	112.3	A128 D197 A198 G205	A128-P201 HydrophobicContact CB-CB 4.06Å; D197-P201 WeakPolarHBondContact O-CD 3.38Å; D197-P201 VanDerWaalsContact O-CG 3.27Å; D197-P201 WeakPolarHBondContact O-CG 3.28Å; A198-P201 WeakPolarHBondContact O-CD 3.09Å; A198-P201 WeakPolarHBondContact O-CG 3.42Å; P201-G205 PolarHBondContact O-N 3.27Å
202	Y	98.9	Very high	98.8	Very high	2 Å²	2	15.6 Å²	15.6	1%	0.008	10%	0.103	C	C	.	.	H	α-helix	trans	-62.2	-50.1	173.6	171.8	-125.5	0	0	0	112.2	V90 L131 V134 F135 A155 A198 L199 V200 G205 Q206	V90-Y202 HydrophobicContact CG2-CD1 3.81Å; V90-Y202 HydrophobicContact CG2-CE1 3.89Å; V90-Y202 HydrophobicContact CG2-CG 4.49Å; L131-Y202 HydrophobicContact CB-CD2 3.97Å; L131-Y202 HydrophobicContact CB-CE2 4.01Å; L131-Y202 HydrophobicContact CD1-CD1 4.34Å; L131-Y202 HydrophobicContact CD1-CD2 3.38Å; L131-Y202 HydrophobicContact CD1-CE2 3.62Å; L131-Y202 HydrophobicContact CD1-CG 3.78Å; L131-Y202 HydrophobicContact CG-CD2 4.3Å; L131-Y202 HydrophobicContact CG-CE2 4.35Å; V134-Y202 HydrophobicContact CB-CE2 4.17Å; V134-Y202 HydrophobicContact CG1-CE2 4.05Å; V134-Y202 HydrophobicContact CG2-CE2 4.29Å; F135-Y202 AromaticContact CE1-CD2 3.68Å; F135-Y202 HydrophobicContact CE1-CD2 3.68Å; F135-Y202 AromaticContact CE1-CE2 3.97Å; F135-Y202 HydrophobicContact CE1-CE2 3.97Å; F135-Y202 WeakPolarHBondContact CE1-O 3.39Å; F135-Y202 AromaticContact CZ-CD2 3.91Å; F135-Y202 HydrophobicContact CZ-CD2 3.91Å; A155-Y202 HydrophobicContact CB-CD1 4.14Å; A155-Y202 HydrophobicContact CB-CE1 3.89Å; A198-Y202 WeakPolarHBondContact O-CB 3.35Å; A198-Y202 PolarHBondContact O-N 3.22Å; L199-Y202 HydrophobicContact CD2-CD1 4.49Å; L199-Y202 PolarHBondContact O-N 3.46Å; V200-Y202 VanDerWaalsContact C-N 3.29Å; V200-Y202 PolarHBondContact O-N 3.01Å; Y202-G205 PolarHBondContact O-N 3.06Å; Y202-Q206 HydrophobicContact CD2-CG 4.39Å; Y202-Q206 HydrophobicContact CE2-CG 4.06Å; Y202-Q206 WeakPolarHBondContact O-CG 3.48Å; Y202-Q206 PolarHBondContact O-N 3.03Å; Y202-Q206 PolarHBondContact OH-NE2 3.33Å
203	L	98.9	Very high	98.8	Very high	1 Å²	1	15.6 Å²	15.6	1%	0.005	10%	0.103	C	C	.	.	H	α-helix	trans	-65.8	-38.5	179	-72.9	166.8	0	0	0	112.3	A155 L199 V200 G205 Q206 V207 L214 L216 V240 V244	A155-L203 HydrophobicContact CB-CD2 3.92Å; A155-L203 HydrophobicContact CB-CG 4.36Å; L199-L203 WeakPolarHBondContact O-CB 3.35Å; L199-L203 WeakPolarHBondContact O-CG 3.29Å; L199-L203 PolarHBondContact O-N 3.23Å; V200-L203 PolarHBondContact O-N 3.27Å; L203-G205 VanDerWaalsContact C-N 3.33Å; L203-Q206 PolarHBondContact O-N 3.05Å; L203-V207 PolarHBondContact O-N 2.89Å; L203-L214 HydrophobicContact CB-CD1 4.03Å; L203-L214 HydrophobicContact CD2-CD1 4.2Å; L203-L214 HydrophobicContact CD2-CD2 3.93Å; L203-L214 HydrophobicContact CD2-CG 4.46Å; L203-L216 HydrophobicContact CD1-CD1 4.31Å; L203-V240 HydrophobicContact CD1-CG1 3.47Å; L203-V240 VanDerWaalsContact CD1-CG1 3.47Å; L203-V244 HydrophobicContact CB-CG2 3.82Å; L203-V244 HydrophobicContact CD1-CG2 4.1Å
204	V	98.8	Very high	98.8	Very high	24 Å²	24	12.9 Å²	12.9	15%	0.145	8%	0.084	C	C	.	.	H	α-helix	trans	-61.2	-44	171.6	171.1	0	0	0	0	110.6	V200 Q206 V207 A208 V244 R247 L248	V200-V204 VanDerWaalsContact O-CG2 3.23Å; V200-V204 WeakPolarHBondContact O-CG2 3.39Å; V200-V204 PolarHBondContact O-N 2.87Å; V204-Q206 VanDerWaalsContact C-N 3.33Å; V204-Q206 PolarHBondContact O-N 2.99Å; V204-V207 PolarHBondContact O-N 3.04Å; V204-A208 PolarHBondContact O-N 3.17Å; V204-V244 HydrophobicContact CG2-CB 4.43Å; V204-V244 HydrophobicContact CG2-CG1 4.21Å; V204-V244 HydrophobicContact CG2-CG2 4.37Å; V204-R247 HydrophobicContact CG1-CB 4.46Å; V204-R247 HydrophobicContact CG2-CB 3.65Å; V204-R247 HydrophobicContact CG2-CG 4.46Å; V204-L248 HydrophobicContact CG1-CD2 4.1Å; V204-L248 HydrophobicContact CG2-CG 4.48Å
205	G	98.7	Very high	98.8	Very high	16 Å²	16	11.7 Å²	11.7	17%	0.165	8%	0.078	C	C	.	.	H	α-helix	trans	-61	-37.9	175.7	0	0	0	0	0	113.1	P201 Y202 L203 V207 A208 A209	P201-G205 PolarHBondContact O-N 3.27Å; Y202-G205 PolarHBondContact O-N 3.06Å; L203-G205 VanDerWaalsContact C-N 3.33Å; G205-V207 PolarHBondContact O-N 3.04Å; G205-A208 PolarHBondContact O-N 3.07Å; G205-A209 VanDerWaalsContact O-CB 3.26Å; G205-A209 WeakPolarHBondContact O-CB 3.28Å; G205-A209 PolarHBondContact O-N 2.9Å
206	Q	98.9	Very high	98.8	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-62.4	-41.4	174.4	-69.5	-170.3	54.2	0	0	112.5	F135 I138 F154 Y202 L203 V204 A209 G210 A211 L214	F135-Q206 HydrophobicContact CD1-CG 4.3Å; F135-Q206 HydrophobicContact CE1-CG 4.04Å; I138-Q206 HydrophobicContact CD1-CB 3.63Å; I138-Q206 HydrophobicContact CD1-CG 3.49Å; I138-Q206 VanDerWaalsContact CD1-CG 3.49Å; F154-Q206 PolarHBondContact O-NE2 3.47Å; Y202-Q206 HydrophobicContact CD2-CG 4.39Å; Y202-Q206 HydrophobicContact CE2-CG 4.06Å; Y202-Q206 WeakPolarHBondContact O-CG 3.48Å; Y202-Q206 PolarHBondContact O-N 3.03Å; Y202-Q206 PolarHBondContact OH-NE2 3.33Å; L203-Q206 PolarHBondContact O-N 3.05Å; V204-Q206 VanDerWaalsContact C-N 3.33Å; V204-Q206 PolarHBondContact O-N 2.99Å; Q206-A209 PolarHBondContact O-N 3.4Å; Q206-G210 PolarHBondContact O-N 2.97Å; Q206-A211 HydrophobicContact CB-CB 4.32Å; Q206-A211 VanDerWaalsContact O-CB 3.26Å; Q206-A211 WeakPolarHBondContact O-CB 3.44Å; Q206-A211 PolarHBondContact O-N 2.9Å; Q206-L214 HydrophobicContact CB-CD2 4.23Å
207	V	98.8	Very high	98.8	Very high	5 Å²	5	13 Å²	13	3%	0.03	8%	0.084	C	C	.	.	H	α-helix	trans	-67.9	-45.1	176.6	176.4	0	0	0	0	110.8	L203 V204 G205 A209 G210 L214 L248 V256	L203-V207 PolarHBondContact O-N 2.89Å; V204-V207 PolarHBondContact O-N 3.04Å; G205-V207 PolarHBondContact O-N 3.04Å; V207-A209 PolarHBondContact O-N 3.32Å; V207-G210 PolarHBondContact O-N 3.27Å; V207-L214 HydrophobicContact CG2-CD1 3.69Å; V207-L214 HydrophobicContact CG2-CD2 4.1Å; V207-L214 HydrophobicContact CG2-CG 3.93Å; V207-L248 HydrophobicContact CB-CD1 4.43Å; V207-L248 HydrophobicContact CB-CD2 3.76Å; V207-L248 HydrophobicContact CG1-CD1 4.2Å; V207-L248 HydrophobicContact CG1-CD2 3.65Å; V207-L248 HydrophobicContact CG2-CD1 4.2Å; V207-L248 HydrophobicContact CG2-CD2 4.35Å; V207-V256 HydrophobicContact CG1-CG1 3.86Å; V207-V256 HydrophobicContact CG2-CG1 4.27Å; V207-V256 HydrophobicContact CG2-CG2 3.6Å
208	A	98.2	Very high	98.8	Very high	54 Å²	54	10.2 Å²	10.2	45%	0.446	7%	0.069	S	C	.	.	H	α-helix	trans	-59.2	-31.6	174.6	0	0	0	0	0	112.3	V204 G205 G210 L253	V204-A208 PolarHBondContact O-N 3.17Å; G205-A208 PolarHBondContact O-N 3.07Å; A208-G210 VanDerWaalsContact C-N 3.29Å; A208-G210 PolarHBondContact O-N 3.28Å; A208-L253 HydrophobicContact CB-CD1 4.07Å
209	A	98.6	Very high	98.8	Very high	8 Å²	8	11.4 Å²	11.4	7%	0.066	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-11	174.9	0	0	0	0	0	114.1	F11 F135 I138 T139 G205 Q206 V207	F11-A209 VanDerWaalsContact CZ-O 3.27Å; F11-A209 WeakPolarHBondContact CZ-O 3.47Å; F135-A209 HydrophobicContact CB-CB 3.83Å; F135-A209 HydrophobicContact CD1-CB 4.45Å; F135-A209 HydrophobicContact CG-CB 4.44Å; I138-A209 HydrophobicContact CB-CB 4Å; I138-A209 HydrophobicContact CG2-CB 3.89Å; T139-A209 WeakPolarHBondContact CA-O 3.43Å; T139-A209 WeakPolarHBondContact CB-O 3.15Å; T139-A209 PolarHBondContact N-O 3.23Å; T139-A209 PolarHBondContact OG1-O 3.4Å; G205-A209 VanDerWaalsContact O-CB 3.26Å; G205-A209 WeakPolarHBondContact O-CB 3.28Å; G205-A209 PolarHBondContact O-N 2.9Å; Q206-A209 PolarHBondContact O-N 3.4Å; V207-A209 PolarHBondContact O-N 3.32Å
210	G	98.4	Very high	98.8	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	120.8	6.4	173.7	0	0	0	0	0	116.2	R142 Q206 V207 A208	R142-G210 PolarHBondContact NH1-O 2.83Å; Q206-G210 PolarHBondContact O-N 2.97Å; V207-G210 PolarHBondContact O-N 3.27Å; A208-G210 VanDerWaalsContact C-N 3.29Å; A208-G210 PolarHBondContact O-N 3.28Å
211	A	98.8	Very high	98.8	Very high	4 Å²	4	12.2 Å²	12.2	3%	0.033	8%	0.081	C	C	.	.			trans	-65.1	137.5	171.4	0	0	0	0	0	111	I138 Q206 L214	I138-A211 HydrophobicContact CG2-CB 4.26Å; Q206-A211 HydrophobicContact CB-CB 4.32Å; Q206-A211 VanDerWaalsContact O-CB 3.26Å; Q206-A211 WeakPolarHBondContact O-CB 3.44Å; Q206-A211 PolarHBondContact O-N 2.9Å; A211-L214 HydrophobicContact CB-CD2 4.45Å
212	Q	98.9	Very high	98.8	Very high	22 Å²	22	11.7 Å²	11.7	10%	0.103	8%	0.083	C	C	.	.	S	Bend	trans	-108.5	-7.4	-174	-65.9	171.8	-90.8	0	0	113.4	L20 R142 P150 L151 V256 P257	L20-Q212 HydrophobicContact CD1-CB 4.39Å; L20-Q212 HydrophobicContact CD2-CB 4.41Å; L20-Q212 WeakPolarHBondContact CD2-O 3.06Å; R142-Q212 VanDerWaalsContact CZ-OE1 3.29Å; R142-Q212 VanDerWaalsContact NE-OE1 3.16Å; R142-Q212 VanDerWaalsContact NH1-CD 3.34Å; P150-Q212 HydrophobicContact CB-CB 4.14Å; L151-Q212 PolarHBondContact O-N 2.81Å; Q212-V256 WeakPolarHBondContact O-CB 3.09Å; Q212-P257 WeakPolarHBondContact O-CD 3.12Å
213	A	98.9	Very high	98.7	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	159.6	170.7	0	0	0	0	0	108.4	F19 L20 I152 G153 P257	F19-A213 HydrophobicContact CE1-CB 3.72Å; F19-A213 HydrophobicContact CZ-CB 4.33Å; L20-A213 HydrophobicContact CD2-CB 4.26Å; I152-A213 HydrophobicContact CG1-CB 4.27Å; G153-A213 PolarHBondContact N-O 3.02Å; A213-P257 WeakPolarHBondContact CA-O 3.2Å; A213-P257 HydrophobicContact CB-CG 3.97Å
214	L	98.9	Very high	98.7	Very high	1 Å²	1	14 Å²	14	1%	0.005	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	132.5	177.9	-67.4	173.4	0	0	0	111.1	G153 L203 Q206 V207 A211 V244 V256 P257 M258 I259	G153-L214 CarbonylContact O-C 3.56Å; G153-L214 VanDerWaalsContact O-CA 3.31Å; G153-L214 WeakPolarHBondContact O-CA 3.23Å; L203-L214 HydrophobicContact CB-CD1 4.03Å; L203-L214 HydrophobicContact CD2-CD1 4.2Å; L203-L214 HydrophobicContact CD2-CD2 3.93Å; L203-L214 HydrophobicContact CD2-CG 4.46Å; Q206-L214 HydrophobicContact CB-CD2 4.23Å; V207-L214 HydrophobicContact CG2-CD1 3.69Å; V207-L214 HydrophobicContact CG2-CD2 4.1Å; V207-L214 HydrophobicContact CG2-CG 3.93Å; A211-L214 HydrophobicContact CB-CD2 4.45Å; L214-V244 HydrophobicContact CD1-CG1 3.95Å; L214-V256 HydrophobicContact CD1-CG2 3.99Å; L214-V256 HydrophobicContact CG-CG2 3.83Å; L214-P257 PolarHBondContact N-O 2.87Å; L214-M258 HydrophobicContact CB-CG 4.4Å; L214-M258 HydrophobicContact CD1-CE 4.43Å; L214-M258 CarbonylContact O-C 3.55Å; L214-M258 WeakPolarHBondContact O-CA 3.44Å; L214-I259 PolarHBondContact O-N 2.76Å
215	Q	98.9	Very high	98.7	Very high	1 Å²	1	14.7 Å²	14.7	1%	0.005	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	130.4	169	-174	158	-62.9	0	0	111.8	I152 G153 F154 A155 F217 I259	I152-Q215 HydrophobicContact CG2-CB 4.27Å; G153-Q215 PolarHBondContact O-N 2.85Å; F154-Q215 WeakPolarHBondContact CA-O 3.39Å; F154-Q215 HydrophobicContact CB-CB 4.32Å; F154-Q215 VanDerWaalsContact CB-O 3.24Å; F154-Q215 WeakPolarHBondContact CB-O 3.43Å; A155-Q215 PolarHBondContact N-O 3.39Å; Q215-F217 HydrophobicContact CB-CE2 4.06Å; Q215-F217 HydrophobicContact CG-CD2 4.04Å; Q215-F217 HydrophobicContact CG-CE2 3.78Å; Q215-F217 HydrophobicContact CG-CZ 4.07Å; Q215-I259 CarbonylContact C-O 3.57Å; Q215-I259 WeakPolarHBondContact CA-O 3.4Å; Q215-I259 HydrophobicContact CB-CB 4.13Å; Q215-I259 HydrophobicContact CB-CD1 4.37Å; Q215-I259 HydrophobicContact CG-CB 4.04Å; Q215-I259 HydrophobicContact CG-CG2 4.15Å
216	L	98.9	Very high	98.7	Very high	2 Å²	2	17 Å²	17	1%	0.01	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	120.2	170.3	-162.1	72.1	0	0	0	109.4	A155 A157 L203 V240 I259 I260 F261 Y277	A155-L216 HydrophobicContact CB-CD1 4.2Å; A155-L216 WeakPolarHBondContact O-CA 3.47Å; A157-L216 HydrophobicContact CB-CD2 3.91Å; A157-L216 HydrophobicContact CB-CG 3.85Å; L203-L216 HydrophobicContact CD1-CD1 4.31Å; L216-V240 HydrophobicContact CD1-CG1 4.39Å; L216-V240 HydrophobicContact CD2-CB 4.3Å; L216-V240 HydrophobicContact CD2-CG1 4.15Å; L216-V240 HydrophobicContact CD2-CG2 4.47Å; L216-I259 PolarHBondContact N-O 3.49Å; L216-I260 HydrophobicContact CB-CD1 4.2Å; L216-I260 HydrophobicContact CD2-CD1 4.29Å; L216-F261 PolarHBondContact O-N 3.24Å; L216-Y277 HydrophobicContact CB-CE1 4.24Å; L216-Y277 VanDerWaalsContact CD2-OH 3.29Å; L216-Y277 WeakPolarHBondContact CD2-OH 3.27Å
217	F	98.9	Very high	98.7	Very high	27 Å²	27	25.5 Å²	25.5	12%	0.118	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	102.3	-176.8	-72.3	-94.7	0	0	0	111	M36 I82 F154 A155 A157 Q215 S219 F261	M36-F217 HydrophobicContact CG-CE1 4.39Å; M36-F217 HydrophobicContact SD-CE1 3.9Å; I82-F217 HydrophobicContact CD1-CE2 4.38Å; I82-F217 HydrophobicContact CD1-CZ 4.23Å; F154-F217 HydrophobicContact CB-CD2 4.06Å; F154-F217 HydrophobicContact CB-CE2 3.63Å; F154-F217 AromaticContact CD2-CD2 3.73Å; F154-F217 HydrophobicContact CD2-CD2 3.73Å; F154-F217 AromaticContact CD2-CE2 3.57Å; F154-F217 HydrophobicContact CD2-CE2 3.57Å; F154-F217 HydrophobicContact CE2-CE2 4.46Å; F154-F217 HydrophobicContact CG-CD2 4.27Å; F154-F217 AromaticContact CG-CE2 3.78Å; F154-F217 HydrophobicContact CG-CE2 3.78Å; A155-F217 PolarHBondContact O-N 3.33Å; A157-F217 PolarHBondContact N-O 2.9Å; Q215-F217 HydrophobicContact CB-CE2 4.06Å; Q215-F217 HydrophobicContact CG-CD2 4.04Å; Q215-F217 HydrophobicContact CG-CE2 3.78Å; Q215-F217 HydrophobicContact CG-CZ 4.07Å; F217-S219 VanDerWaalsContact C-N 3.29Å; F217-S219 PolarHBondContact O-N 3.33Å; F217-F261 AromaticContact CD1-CD1 3.79Å; F217-F261 HydrophobicContact CD1-CD1 3.79Å; F217-F261 HydrophobicContact CD1-CE1 4.47Å; F217-F261 HydrophobicContact CE1-CD1 4.29Å
218	E	98.9	Very high	98.7	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	60.4	169	-166.7	67.7	-84.3	0	0	109.6	A157 W159 T160 H220 A221 F229 I237 I260 F261 A262 K263	A157-E218 HydrophobicContact CB-CB 3.71Å; A157-E218 HydrophobicContact CB-CG 4.1Å; A157-E218 WeakPolarHBondContact CB-OE1 3.17Å; A157-E218 WeakPolarHBondContact CB-OE2 3.2Å; W159-E218 WeakPolarHBondContact CB-OE1 3.19Å; T160-E218 VanDerWaalsContact CB-OE1 3.23Å; T160-E218 WeakPolarHBondContact CB-OE1 3.24Å; T160-E218 PolarHBondContact N-OE1 3.39Å; T160-E218 VanDerWaalsContact OG1-C 3.28Å; T160-E218 WeakPolarHBondContact OG1-CA 3.14Å; T160-E218 PolarHBondContact OG1-OE1 3.08Å; E218-H220 PolarHBondContact O-N 3.41Å; E218-H220 VanDerWaalsContact O-N 3.15Å; E218-A221 HydrophobicContact CG-CB 3.97Å; E218-A221 PolarHBondContact O-N 3.17Å; E218-F229 HydrophobicContact CG-CE2 4.29Å; E218-I237 HydrophobicContact CB-CD1 4.47Å; E218-I237 HydrophobicContact CG-CD1 4.11Å; E218-I260 HydrophobicContact CB-CD1 4.23Å; E218-F261 CarbonylContact C-O 3.54Å; E218-F261 WeakPolarHBondContact CA-O 3.33Å; E218-F261 PolarHBondContact N-O 3.4Å; E218-A262 HydrophobicContact CB-CB 4.22Å; E218-A262 WeakPolarHBondContact O-CA 3.29Å; E218-K263 PolarHBondContact O-N 3.29Å
219	S	98.4	Very high	98.8	Very high	25 Å²	25	23.5 Å²	23.5	18%	0.175	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-16.2	-171	-57.6	0	0	0	0	114.9	T160 F217	T160-S219 PolarHBondContact OG1-N 3.03Å; F217-S219 VanDerWaalsContact C-N 3.29Å; F217-S219 PolarHBondContact O-N 3.33Å
220	H	98.8	Very high	98.8	Very high	21 Å²	21	26 Å²	26	10%	0.097	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.3	23	-179.5	-61.5	155.8	0	0	0	113.1	W159 T160 T163 Y164 M174 E218 G222 H223	W159-H220 PolarHBondContact NE1-O 3.16Å; T160-H220 PolarHBondContact OG1-N 3.28Å; T163-H220 HydrophobicContact CG2-CB 4.3Å; T163-H220 PolarHBondContact OG1-CE1 2.9Å; T163-H220 PolarHBondContact OG1-ND1 2.9Å; Y164-H220 AromaticContact CD2-CE1 3.81Å; Y164-H220 AromaticContact CE2-CE1 3.25Å; Y164-H220 WeakPolarHBondContact CE2-CE1 3.24Å; Y164-H220 AromaticContact CZ-CE1 3.6Å; M174-H220 HydrophobicContact CE-CB 4.5Å; E218-H220 PolarHBondContact O-N 3.41Å; E218-H220 VanDerWaalsContact O-N 3.15Å; H220-G222 PolarHBondContact O-N 2.96Å; H220-H223 PolarHBondContact O-N 3.17Å
221	A	98.8	Very high	98.8	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-58.8	-44.6	179.9	0	0	0	0	0	112.5	E218 H223 L224 F229 A262 K263	E218-A221 HydrophobicContact CG-CB 3.97Å; E218-A221 PolarHBondContact O-N 3.17Å; A221-H223 PolarHBondContact O-N 3.47Å; A221-L224 PolarHBondContact O-N 2.67Å; A221-F229 HydrophobicContact CB-CD2 4.32Å; A221-F229 HydrophobicContact CB-CE2 3.89Å; A221-A262 HydrophobicContact CB-CB 3.89Å; A221-K263 WeakPolarHBondContact CB-O 3.45Å
222	G	98.5	Very high	98.8	Very high	33 Å²	33	30.9 Å²	30.9	34%	0.34	17%	0.172	S	C	.	.	G	3₁₀ helix	trans	-61.8	-12.4	-176.6	0	0	0	0	0	116.9	H220 L224 K263 D264	H220-G222 PolarHBondContact O-N 2.96Å; G222-L224 VanDerWaalsContact C-N 3.25Å; G222-K263 PolarHBondContact N-O 3.39Å; G222-D264 WeakPolarHBondContact CA-O 3.31Å
223	H	98.8	Very high	98.8	Very high	47 Å²	47	29.8 Å²	29.8	22%	0.218	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-77.1	-16.2	173.4	-64.7	-70.2	0	0	0	112.8	S172 M174 K178 H220 A221	S172-H223 PolarHBondContact O-CE1 2.58Å; S172-H223 VanDerWaalsContact O-CE1 3.3Å; M174-H223 HydrophobicContact CB-CB 4Å; M174-H223 WeakPolarHBondContact CE-NE2 3.47Å; M174-H223 HydrophobicContact CG-CB 3.7Å; M174-H223 WeakPolarHBondContact CG-CD2 3.29Å; K178-H223 WeakPolarHBondContact CD-O 3.39Å; K178-H223 WeakPolarHBondContact CE-O 3.48Å; K178-H223 PolarHBondContact NZ-O 2.73Å; H220-H223 PolarHBondContact O-N 3.17Å; A221-H223 PolarHBondContact O-N 3.47Å
224	L	98.8	Very high	98.8	Very high	4 Å²	4	30.3 Å²	30.3	2%	0.021	17%	0.17	C	C	.	.	S	Bend	trans	-96.5	142.9	175.2	-58.6	-173	0	0	0	110.4	W159 K178 L181 A221 G222 L228 F229 A233 F267	W159-L224 HydrophobicContact CD2-CD1 3.85Å; W159-L224 HydrophobicContact CD2-CG 4.41Å; W159-L224 HydrophobicContact CE3-CD1 4.49Å; W159-L224 HydrophobicContact CG-CD1 4.05Å; W159-L224 HydrophobicContact CH2-CD2 3.81Å; W159-L224 HydrophobicContact CZ2-CD1 4.08Å; W159-L224 HydrophobicContact CZ2-CD2 3.42Å; W159-L224 VanDerWaalsContact CZ2-CD2 3.42Å; W159-L224 HydrophobicContact CZ2-CG 3.74Å; K178-L224 HydrophobicContact CG-CD2 4.06Å; L181-L224 HydrophobicContact CD1-CD2 3.74Å; A221-L224 PolarHBondContact O-N 2.67Å; G222-L224 VanDerWaalsContact C-N 3.25Å; L224-L228 HydrophobicContact CB-CB 4.28Å; L224-L228 HydrophobicContact CD1-CB 4.44Å; L224-L228 HydrophobicContact CD2-CB 4.01Å; L224-L228 HydrophobicContact CD2-CD1 4.03Å; L224-L228 HydrophobicContact CG-CB 4.48Å; L224-F229 HydrophobicContact CB-CB 4.17Å; L224-F229 HydrophobicContact CD1-CB 4.37Å; L224-F229 HydrophobicContact CD1-CD2 4.47Å; L224-A233 HydrophobicContact CD1-CB 4.31Å; L224-F267 VanDerWaalsContact O-CE1 3.3Å; L224-F267 WeakPolarHBondContact O-CE1 3.44Å; L224-F267 VanDerWaalsContact O-CZ 3.27Å; L224-F267 WeakPolarHBondContact O-CZ 3.49Å
225	G	98.6	Very high	98.8	Very high	38 Å²	38	32.7 Å²	32.7	39%	0.392	19%	0.185	S	C	.	.			trans	-82.1	170.5	160	0	0	0	0	0	111	Q227 L228 F229	G225-Q227 VanDerWaalsContact C-N 3.28Å; G225-Q227 PolarHBondContact O-N 3.36Å; G225-Q227 VanDerWaalsContact O-N 3.14Å; G225-L228 PolarHBondContact O-N 3.31Å; G225-L228 VanDerWaalsContact O-N 3.16Å; G225-F229 PolarHBondContact O-N 2.83Å
226	P	98.7	Very high	98.8	Very high	66 Å²	66	33.2 Å²	33.2	43%	0.429	19%	0.187	S	C	.	.	H	α-helix	trans	-53.1	-41.7	-174.6	-27.1	33.2	0	0	0	113.9	L228 F229 N230 F267	P226-L228 PolarHBondContact O-N 3.01Å; P226-F229 PolarHBondContact O-N 2.84Å; P226-N230 VanDerWaalsContact O-CB 3.27Å; P226-N230 WeakPolarHBondContact O-CB 3.39Å; P226-N230 PolarHBondContact O-N 2.94Å; P226-F267 HydrophobicContact CB-CD2 4.2Å; P226-F267 HydrophobicContact CG-CB 4.05Å; P226-F267 HydrophobicContact CG-CD2 3.92Å; P226-F267 HydrophobicContact CG-CG 4.12Å
227	Q	98.9	Very high	98.8	Very high	177 Å²	177	33.1 Å²	33.1	83%	0.827	19%	0.187	S	C	*	.	H	α-helix	trans	-63	-45.6	-177.8	-63.9	177.5	29.5	0	0	112.7	G225 K231	G225-Q227 VanDerWaalsContact C-N 3.28Å; G225-Q227 PolarHBondContact O-N 3.36Å; G225-Q227 VanDerWaalsContact O-N 3.14Å; Q227-K231 WeakPolarHBondContact O-CB 2.98Å; Q227-K231 PolarHBondContact O-N 2.97Å
228	L	98.9	Very high	98.8	Very high	18 Å²	18	36.2 Å²	36.2	9%	0.094	20%	0.198	C	C	.	.	H	α-helix	trans	-73.1	-37.7	178.3	-74.3	-177.4	0	0	0	111.3	L181 Y182 L224 G225 P226 K231 F232	L181-L228 HydrophobicContact CB-CD2 4.29Å; L181-L228 HydrophobicContact CD1-CB 4.44Å; L181-L228 HydrophobicContact CD1-CD1 4.17Å; L181-L228 HydrophobicContact CD1-CD2 4.4Å; Y182-L228 HydrophobicContact CE1-CD1 4.35Å; Y182-L228 HydrophobicContact CE1-CD2 4.2Å; Y182-L228 HydrophobicContact CE2-CD1 3.72Å; Y182-L228 WeakPolarHBondContact OH-CD1 3.43Å; L224-L228 HydrophobicContact CB-CB 4.28Å; L224-L228 HydrophobicContact CD1-CB 4.44Å; L224-L228 HydrophobicContact CD2-CB 4.01Å; L224-L228 HydrophobicContact CD2-CD1 4.03Å; L224-L228 HydrophobicContact CG-CB 4.48Å; G225-L228 PolarHBondContact O-N 3.31Å; G225-L228 VanDerWaalsContact O-N 3.16Å; P226-L228 PolarHBondContact O-N 3.01Å; L228-K231 PolarHBondContact O-N 3.44Å; L228-F232 HydrophobicContact CD2-CD2 3.79Å; L228-F232 HydrophobicContact CD2-CE2 3.7Å; L228-F232 WeakPolarHBondContact O-CB 3.35Å; L228-F232 PolarHBondContact O-N 3.01Å
229	F	98.9	Very high	98.8	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-60.7	-48.1	176.2	-174.9	-89.8	0	0	0	111.4	E218 A221 L224 G225 P226 K231 F232 A233 L234 I237 F267 A268 L272	E218-F229 HydrophobicContact CG-CE2 4.29Å; A221-F229 HydrophobicContact CB-CD2 4.32Å; A221-F229 HydrophobicContact CB-CE2 3.89Å; L224-F229 HydrophobicContact CB-CB 4.17Å; L224-F229 HydrophobicContact CD1-CB 4.37Å; L224-F229 HydrophobicContact CD1-CD2 4.47Å; G225-F229 PolarHBondContact O-N 2.83Å; P226-F229 PolarHBondContact O-N 2.84Å; F229-K231 PolarHBondContact O-N 3.38Å; F229-F232 PolarHBondContact O-N 3.34Å; F229-A233 HydrophobicContact CD2-CB 3.63Å; F229-A233 HydrophobicContact CE2-CB 3.73Å; F229-A233 HydrophobicContact CG-CB 4.1Å; F229-A233 HydrophobicContact CZ-CB 4.28Å; F229-A233 WeakPolarHBondContact O-CA 3.44Å; F229-A233 PolarHBondContact O-N 3.07Å; F229-L234 HydrophobicContact CD1-CB 4.04Å; F229-L234 HydrophobicContact CE1-CB 3.85Å; F229-L234 HydrophobicContact CE1-CD1 4.25Å; F229-L234 PolarHBondContact O-N 3.19Å; F229-I237 HydrophobicContact CE2-CD1 4.29Å; F229-I237 HydrophobicContact CZ-CD1 3.78Å; F229-F267 HydrophobicContact CB-CE2 3.53Å; F229-F267 HydrophobicContact CB-CZ 4.05Å; F229-F267 HydrophobicContact CD1-CE2 4.04Å; F229-F267 AromaticContact CD2-CE2 3.94Å; F229-F267 HydrophobicContact CD2-CE2 3.94Å; F229-F267 AromaticContact CD2-CZ 3.97Å; F229-F267 HydrophobicContact CD2-CZ 3.97Å; F229-F267 AromaticContact CG-CE2 3.57Å; F229-F267 HydrophobicContact CG-CE2 3.57Å; F229-F267 HydrophobicContact CG-CZ 4.06Å; F229-A268 HydrophobicContact CD1-CB 3.75Å; F229-A268 HydrophobicContact CE1-CB 3.42Å; F229-A268 VanDerWaalsContact CE1-CB 3.42Å; F229-A268 HydrophobicContact CG-CB 4.48Å; F229-A268 HydrophobicContact CZ-CB 3.92Å; F229-L272 HydrophobicContact CE1-CD2 4.41Å; F229-L272 HydrophobicContact CZ-CD2 4.13Å; F229-L272 HydrophobicContact CZ-CG 4.48Å
230	N	98.9	Very high	98.9	Very high	60 Å²	60	38 Å²	38	32%	0.321	21%	0.205	S	C	.	.	H	α-helix	trans	-64.9	-24.8	179.6	-71.4	-5.8	0	0	0	112.6	P226 P235	P226-N230 VanDerWaalsContact O-CB 3.27Å; P226-N230 WeakPolarHBondContact O-CB 3.39Å; P226-N230 PolarHBondContact O-N 2.94Å; N230-P235 WeakPolarHBondContact O-CD 3.48Å; N230-P235 WeakPolarHBondContact O-CG 3.36Å
231	K	98.9	Very high	98.9	Very high	105 Å²	105	37 Å²	37	46%	0.457	20%	0.201	S	C	.	.	H	α-helix	trans	-89.6	-39.8	177.7	-173.7	171.5	176.2	-176.7	0	113.8	H189 Q227 L228 F229	H189-K231 PolarHBondContact CE1-O 3.37Å; Q227-K231 WeakPolarHBondContact O-CB 2.98Å; Q227-K231 PolarHBondContact O-N 2.97Å; L228-K231 PolarHBondContact O-N 3.44Å; F229-K231 PolarHBondContact O-N 3.38Å
232	F	98.9	Very high	98.9	Very high	1 Å²	1	44.2 Å²	44.2	0%	0.004	23%	0.232	C	C	.	.	H	α-helix	trans	-121.3	-11.1	-165.2	-66.6	-76.5	0	0	0	115.1	L181 P185 H189 L192 L228 F229 Y236	L181-F232 HydrophobicContact CB-CD2 4.11Å; L181-F232 HydrophobicContact CB-CE2 3.94Å; L181-F232 HydrophobicContact CB-CZ 4.25Å; L181-F232 HydrophobicContact CD1-CB 4.07Å; L181-F232 HydrophobicContact CD1-CD2 3.93Å; L181-F232 HydrophobicContact CD1-CG 4.1Å; L181-F232 HydrophobicContact CD2-CB 4.03Å; L181-F232 HydrophobicContact CD2-CD1 3.79Å; L181-F232 HydrophobicContact CD2-CD2 4.15Å; L181-F232 HydrophobicContact CD2-CE1 4.19Å; L181-F232 HydrophobicContact CD2-CG 3.75Å; L181-F232 HydrophobicContact CG-CD2 4.28Å; L181-F232 HydrophobicContact CG-CG 4.34Å; L181-F232 WeakPolarHBondContact O-CZ 3.47Å; P185-F232 HydrophobicContact CB-CE1 4.43Å; P185-F232 HydrophobicContact CB-CZ 4.02Å; H189-F232 AromaticContact CD2-CE1 3.64Å; H189-F232 AromaticContact CE1-CD1 3.57Å; H189-F232 AromaticContact CE1-CE1 3.56Å; H189-F232 AromaticContact ND1-CD1 3.88Å; H189-F232 AromaticContact ND1-CE1 3.98Å; H189-F232 AromaticContact NE2-CD1 3.84Å; H189-F232 AromaticContact NE2-CE1 3.31Å; H189-F232 VanDerWaalsContact NE2-CE1 3.31Å; H189-F232 WeakPolarHBondContact NE2-CE1 3.3Å; H189-F232 AromaticContact NE2-CZ 3.93Å; L192-F232 HydrophobicContact CD1-CB 4.05Å; L192-F232 HydrophobicContact CD1-CD1 3.94Å; L192-F232 VanDerWaalsContact CD1-O 3.26Å; L192-F232 WeakPolarHBondContact CD1-O 3.37Å; L228-F232 HydrophobicContact CD2-CD2 3.79Å; L228-F232 HydrophobicContact CD2-CE2 3.7Å; L228-F232 WeakPolarHBondContact O-CB 3.35Å; L228-F232 PolarHBondContact O-N 3.01Å; F229-F232 PolarHBondContact O-N 3.34Å; F232-Y236 VanDerWaalsContact O-CD2 3.29Å; F232-Y236 WeakPolarHBondContact O-CD2 3.49Å
233	A	98.9	Very high	98.9	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.7	-58.6	175.2	0	0	0	0	0	110.8	W159 L224 F229 P235 Y236 I237	W159-A233 HydrophobicContact CB-CB 3.91Å; W159-A233 HydrophobicContact CG-CB 4.33Å; L224-A233 HydrophobicContact CD1-CB 4.31Å; F229-A233 HydrophobicContact CD2-CB 3.63Å; F229-A233 HydrophobicContact CE2-CB 3.73Å; F229-A233 HydrophobicContact CG-CB 4.1Å; F229-A233 HydrophobicContact CZ-CB 4.28Å; F229-A233 WeakPolarHBondContact O-CA 3.44Å; F229-A233 PolarHBondContact O-N 3.07Å; A233-P235 VanDerWaalsContact C-CD 3.47Å; A233-Y236 PolarHBondContact O-N 2.92Å; A233-Y236 VanDerWaalsContact O-N 3.1Å; A233-I237 HydrophobicContact CB-CD1 4.35Å; A233-I237 WeakPolarHBondContact O-CG1 3.25Å; A233-I237 PolarHBondContact O-N 3.42Å
234	L	98.9	Very high	98.9	Very high	11 Å²	11	43.9 Å²	43.9	6%	0.058	22%	0.219	C	C	.	.	H	α-helix	trans	-54.7	-42.3	-173.1	-176.4	63.7	0	0	0	115.1	F229 Y236 I237 R238 E271 L272 A275	F229-L234 HydrophobicContact CD1-CB 4.04Å; F229-L234 HydrophobicContact CE1-CB 3.85Å; F229-L234 HydrophobicContact CE1-CD1 4.25Å; F229-L234 PolarHBondContact O-N 3.19Å; L234-Y236 VanDerWaalsContact C-N 3.26Å; L234-Y236 PolarHBondContact O-N 2.77Å; L234-I237 PolarHBondContact O-N 2.85Å; L234-R238 HydrophobicContact CD1-CG 4.36Å; L234-R238 WeakPolarHBondContact O-CG 3.47Å; L234-R238 PolarHBondContact O-N 3.34Å; L234-E271 HydrophobicContact CD1-CB 4.25Å; L234-E271 HydrophobicContact CD2-CB 3.71Å; L234-E271 HydrophobicContact CD2-CG 4.05Å; L234-L272 HydrophobicContact CD1-CD2 4.2Å; L234-A275 HydrophobicContact CD1-CB 4.27Å
235	P	98.9	Very high	98.9	Very high	50 Å²	50	45.3 Å²	45.3	33%	0.325	23%	0.225	S	C	.	.	H	α-helix	trans	-59.6	-41.2	179.6	-24.8	36.7	0	0	0	111.8	N230 A233 R238 D239	N230-P235 WeakPolarHBondContact O-CD 3.48Å; N230-P235 WeakPolarHBondContact O-CG 3.36Å; A233-P235 VanDerWaalsContact C-CD 3.47Å; P235-R238 WeakPolarHBondContact O-CB 3.36Å; P235-R238 PolarHBondContact O-N 2.97Å; P235-D239 PolarHBondContact O-N 3.2Å
236	Y	98.9	Very high	98.9	Very high	13 Å²	13	44.6 Å²	44.6	5%	0.051	22%	0.215	C	C	.	.	H	α-helix	trans	-76.6	-35.6	-177.9	-56.6	-76.9	0	0	0	112.3	P158 H189 L192 T196 F232 A233 L234 R238 D239 V240	P158-Y236 HydrophobicContact CB-CG 4.49Å; H189-Y236 VanDerWaalsContact CA-OH 3.25Å; H189-Y236 WeakPolarHBondContact CA-OH 3.42Å; H189-Y236 WeakPolarHBondContact CB-OH 3.41Å; H189-Y236 AromaticContact ND1-CE2 3.95Å; H189-Y236 AromaticContact ND1-CZ 3.76Å; H189-Y236 PolarHBondContact ND1-OH 3.02Å; H189-Y236 PolarHBondContact O-OH 3.43Å; L192-Y236 HydrophobicContact CB-CD1 3.98Å; L192-Y236 HydrophobicContact CB-CD2 3.84Å; L192-Y236 HydrophobicContact CB-CE1 3.62Å; L192-Y236 HydrophobicContact CB-CE2 3.5Å; L192-Y236 HydrophobicContact CB-CG 4.05Å; L192-Y236 HydrophobicContact CD1-CD2 4.1Å; L192-Y236 HydrophobicContact CD1-CE2 3.56Å; L192-Y236 HydrophobicContact CD2-CD2 4.46Å; L192-Y236 HydrophobicContact CG-CD2 4.36Å; L192-Y236 HydrophobicContact CG-CE2 4.08Å; T196-Y236 VanDerWaalsContact OG1-CD1 3.31Å; T196-Y236 WeakPolarHBondContact OG1-CD1 3.37Å; F232-Y236 VanDerWaalsContact O-CD2 3.29Å; F232-Y236 WeakPolarHBondContact O-CD2 3.49Å; A233-Y236 PolarHBondContact O-N 2.92Å; A233-Y236 VanDerWaalsContact O-N 3.1Å; L234-Y236 VanDerWaalsContact C-N 3.26Å; L234-Y236 PolarHBondContact O-N 2.77Å; Y236-R238 VanDerWaalsContact C-N 3.3Å; Y236-R238 PolarHBondContact O-N 3.21Å; Y236-D239 PolarHBondContact O-N 3.26Å; Y236-V240 WeakPolarHBondContact O-CG2 3.43Å; Y236-V240 PolarHBondContact O-N 3.4Å
237	I	98.9	Very high	98.9	Very high	0 Å²	0	48 Å²	48	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-56.4	-46.5	169.3	-68.7	169.8	0	0	0	110.3	E218 F229 A233 L234 A241 I260 L272 A275 Y277	E218-I237 HydrophobicContact CB-CD1 4.47Å; E218-I237 HydrophobicContact CG-CD1 4.11Å; F229-I237 HydrophobicContact CE2-CD1 4.29Å; F229-I237 HydrophobicContact CZ-CD1 3.78Å; A233-I237 HydrophobicContact CB-CD1 4.35Å; A233-I237 WeakPolarHBondContact O-CG1 3.25Å; A233-I237 PolarHBondContact O-N 3.42Å; L234-I237 PolarHBondContact O-N 2.85Å; I237-A241 PolarHBondContact O-N 3.27Å; I237-I260 HydrophobicContact CD1-CD1 4.24Å; I237-I260 HydrophobicContact CG1-CD1 4.36Å; I237-I260 HydrophobicContact CG2-CD1 3.92Å; I237-I260 HydrophobicContact CG2-CG1 4Å; I237-L272 HydrophobicContact CD1-CD2 4.2Å; I237-L272 HydrophobicContact CG2-CD2 4.22Å; I237-A275 HydrophobicContact CG2-CB 4.38Å; I237-Y277 HydrophobicContact CG2-CD2 4.34Å; I237-Y277 HydrophobicContact CG2-CE2 3.45Å; I237-Y277 VanDerWaalsContact CG2-CE2 3.45Å; I237-Y277 WeakPolarHBondContact O-CE2 3.24Å; I237-Y277 PolarHBondContact O-OH 3.25Å
238	R	98.9	Very high	98.9	Very high	91 Å²	91	39.7 Å²	39.7	34%	0.343	18%	0.181	S	C	.	.	H	α-helix	trans	-63.4	-45	177.4	-74.2	-179	127.8	113.6	1.9	112.1	L234 P235 Y236 V240 A241 K242 Q274 A275	L234-R238 HydrophobicContact CD1-CG 4.36Å; L234-R238 WeakPolarHBondContact O-CG 3.47Å; L234-R238 PolarHBondContact O-N 3.34Å; P235-R238 WeakPolarHBondContact O-CB 3.36Å; P235-R238 PolarHBondContact O-N 2.97Å; Y236-R238 VanDerWaalsContact C-N 3.3Å; Y236-R238 PolarHBondContact O-N 3.21Å; R238-V240 PolarHBondContact O-N 3.29Å; R238-A241 PolarHBondContact O-N 2.98Å; R238-K242 VanDerWaalsContact O-CB 3.31Å; R238-K242 WeakPolarHBondContact O-CB 2.97Å; R238-K242 PolarHBondContact O-N 3.33Å; R238-Q274 PolarHBondContact NH2-O 3.11Å; R238-A275 HydrophobicContact CG-CB 3.86Å
239	D	98.9	Very high	98.8	Very high	63 Å²	63	46.4 Å²	46.4	34%	0.337	21%	0.205	S	C	.	.	H	α-helix	trans	-63.9	-39.6	-179.1	-79.9	-15.3	0	0	0	112.3	T196 P235 Y236 K242 R243	T196-D239 HydrophobicContact CG2-CB 4.05Å; P235-D239 PolarHBondContact O-N 3.2Å; Y236-D239 PolarHBondContact O-N 3.26Å; D239-K242 PolarHBondContact O-N 3.46Å; D239-R243 WeakPolarHBondContact O-CB 3.41Å; D239-R243 WeakPolarHBondContact O-CD 3.49Å; D239-R243 WeakPolarHBondContact O-CG 3.28Å; D239-R243 PolarHBondContact O-N 3Å
240	V	98.9	Very high	98.8	Very high	0 Å²	0	53 Å²	53	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-56.4	-55.3	174.4	170.6	0	0	0	0	110.5	P158 T196 L199 L203 L216 Y236 R238 K242 R243 V244 M258	P158-V240 HydrophobicContact CG-CG2 4.33Å; T196-V240 HydrophobicContact CG2-CG2 4Å; L199-V240 HydrophobicContact CB-CG2 4.46Å; L203-V240 HydrophobicContact CD1-CG1 3.47Å; L203-V240 VanDerWaalsContact CD1-CG1 3.47Å; L216-V240 HydrophobicContact CD1-CG1 4.39Å; L216-V240 HydrophobicContact CD2-CB 4.3Å; L216-V240 HydrophobicContact CD2-CG1 4.15Å; L216-V240 HydrophobicContact CD2-CG2 4.47Å; Y236-V240 WeakPolarHBondContact O-CG2 3.43Å; Y236-V240 PolarHBondContact O-N 3.4Å; R238-V240 PolarHBondContact O-N 3.29Å; V240-K242 PolarHBondContact O-N 2.93Å; V240-R243 PolarHBondContact O-N 3.47Å; V240-V244 HydrophobicContact CG1-CG2 4.25Å; V240-V244 WeakPolarHBondContact O-CB 3.26Å; V240-V244 WeakPolarHBondContact O-CG2 3.47Å; V240-V244 PolarHBondContact O-N 3.19Å; V240-M258 HydrophobicContact CG1-CE 4.32Å
241	A	98.9	Very high	98.7	Very high	1 Å²	1	53.1 Å²	53.1	1%	0.008	25%	0.245	C	C	.	.	H	α-helix	trans	-61.6	-47.5	-178.8	0	0	0	0	0	112.4	I237 R238 R243 K245 M258 Y277	I237-A241 PolarHBondContact O-N 3.27Å; R238-A241 PolarHBondContact O-N 2.98Å; A241-R243 PolarHBondContact O-N 3.21Å; A241-K245 WeakPolarHBondContact O-CB 3.43Å; A241-K245 WeakPolarHBondContact O-CG 3.48Å; A241-K245 PolarHBondContact O-N 2.68Å; A241-M258 HydrophobicContact CB-CE 4.25Å; A241-M258 HydrophobicContact CB-SD 4.19Å; A241-Y277 HydrophobicContact CB-CD2 4Å; A241-Y277 HydrophobicContact CB-CE1 4.21Å; A241-Y277 HydrophobicContact CB-CE2 3.5Å
242	K	98.9	Very high	98.5	Very high	151 Å²	151	51.5 Å²	51.5	66%	0.657	26%	0.258	S	S	*	.	H	α-helix	trans	-57.4	-49.1	179.8	-178.6	-176	176.7	-175.5	0	111.4	R238 D239 V240 A246	R238-K242 VanDerWaalsContact O-CB 3.31Å; R238-K242 WeakPolarHBondContact O-CB 2.97Å; R238-K242 PolarHBondContact O-N 3.33Å; D239-K242 PolarHBondContact O-N 3.46Å; V240-K242 PolarHBondContact O-N 2.93Å; K242-A246 WeakPolarHBondContact O-CB 3.39Å; K242-A246 PolarHBondContact O-N 3.37Å
243	R	98.9	Very high	98.4	Very high	72 Å²	72	53.1 Å²	53.1	27%	0.272	27%	0.267	S	S	.	.	H	α-helix	trans	-75.9	-38.9	-174	-66.6	168.1	62.1	-178.5	-1	112	D197 V200 D239 V240 A241 A246 R247	D197-R243 IonicContact OD1-CZ 3.37Å; D197-R243 IonicContact OD1-NH1 2.68Å; D197-R243 PolarHBondContact OD1-NH1 3.03Å; D197-R243 IonicContact OD1-NH2 3.53Å; D197-R243 PolarHBondContact OD1-NH2 2.99Å; V200-R243 HydrophobicContact CB-CB 4.46Å; V200-R243 HydrophobicContact CG1-CB 3.8Å; V200-R243 HydrophobicContact CG2-CB 3.75Å; D239-R243 WeakPolarHBondContact O-CB 3.41Å; D239-R243 WeakPolarHBondContact O-CD 3.49Å; D239-R243 WeakPolarHBondContact O-CG 3.28Å; D239-R243 PolarHBondContact O-N 3Å; V240-R243 PolarHBondContact O-N 3.47Å; A241-R243 PolarHBondContact O-N 3.21Å; R243-A246 PolarHBondContact O-N 3.01Å; R243-R247 WeakPolarHBondContact O-CB 3.5Å; R243-R247 VanDerWaalsContact O-CG 3.22Å; R243-R247 WeakPolarHBondContact O-CG 3.15Å; R243-R247 PolarHBondContact O-N 2.96Å
244	V	98.9	Very high	98.2	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-59.5	-50	173.8	170.1	0	0	0	0	110.1	V200 L203 V204 L214 V240 A246 R247 L248 M258	V200-V244 HydrophobicContact CB-CG2 4.49Å; V200-V244 HydrophobicContact CG1-CG2 4.34Å; V200-V244 HydrophobicContact CG2-CG2 4.4Å; L203-V244 HydrophobicContact CB-CG2 3.82Å; L203-V244 HydrophobicContact CD1-CG2 4.1Å; V204-V244 HydrophobicContact CG2-CB 4.43Å; V204-V244 HydrophobicContact CG2-CG1 4.21Å; V204-V244 HydrophobicContact CG2-CG2 4.37Å; L214-V244 HydrophobicContact CD1-CG1 3.95Å; V240-V244 HydrophobicContact CG1-CG2 4.25Å; V240-V244 WeakPolarHBondContact O-CB 3.26Å; V240-V244 WeakPolarHBondContact O-CG2 3.47Å; V240-V244 PolarHBondContact O-N 3.19Å; V244-A246 VanDerWaalsContact C-N 3.3Å; V244-A246 PolarHBondContact O-N 3.41Å; V244-R247 PolarHBondContact O-N 3.33Å; V244-L248 HydrophobicContact CG1-CD1 3.9Å; V244-L248 HydrophobicContact CG1-CG 4.36Å; V244-L248 WeakPolarHBondContact O-CG 3.5Å; V244-L248 PolarHBondContact O-N 3.43Å; V244-M258 HydrophobicContact CB-CE 4.27Å; V244-M258 HydrophobicContact CB-SD 4.19Å; V244-M258 HydrophobicContact CG1-CE 4.31Å; V244-M258 HydrophobicContact CG1-SD 4.03Å; V244-M258 HydrophobicContact CG2-CE 4.49Å
245	K	98.8	Very high	98.1	Very high	34 Å²	34	58.4 Å²	58.4	15%	0.148	31%	0.308	C	S	.	.	H	α-helix	trans	-62	-34.8	177.9	-70.9	178.3	178.4	-179.9	0	113.3	A241 R249 P255 M258 G276 E278	A241-K245 WeakPolarHBondContact O-CB 3.43Å; A241-K245 WeakPolarHBondContact O-CG 3.48Å; A241-K245 PolarHBondContact O-N 2.68Å; K245-R249 WeakPolarHBondContact O-CG 3.34Å; K245-R249 PolarHBondContact O-N 3.2Å; K245-R249 PolarHBondContact O-NE 2.77Å; K245-P255 HydrophobicContact CG-CB 4.48Å; K245-M258 HydrophobicContact CG-SD 4.16Å; K245-G276 PolarHBondContact NZ-O 2.97Å; K245-E278 WeakPolarHBondContact CE-OE2 3.42Å; K245-E278 IonicContact NZ-OE1 3.14Å; K245-E278 PolarHBondContact NZ-OE1 2.92Å; K245-E278 IonicContact NZ-OE2 3.97Å; K245-E278 PolarHBondContact NZ-OE2 3.28Å
246	A	98.8	Very high	98.1	Very high	23 Å²	23	56.8 Å²	56.8	19%	0.19	30%	0.297	C	S	.	.	H	α-helix	trans	-67.3	-51.6	174.7	0	0	0	0	0	111.5	K242 R243 V244 L248 R249 E250	K242-A246 WeakPolarHBondContact O-CB 3.39Å; K242-A246 PolarHBondContact O-N 3.37Å; R243-A246 PolarHBondContact O-N 3.01Å; V244-A246 VanDerWaalsContact C-N 3.3Å; V244-A246 PolarHBondContact O-N 3.41Å; A246-L248 VanDerWaalsContact C-N 3.34Å; A246-L248 PolarHBondContact O-N 3.31Å; A246-R249 PolarHBondContact O-N 3.13Å; A246-R249 VanDerWaalsContact O-N 3.14Å; A246-E250 WeakPolarHBondContact O-CG 3.41Å; A246-E250 PolarHBondContact O-N 2.8Å
247	R	98.6	Very high	98.1	Very high	139 Å²	139	56.3 Å²	56.3	53%	0.525	30%	0.295	S	S	.	.	H	α-helix	trans	-62.6	-37.3	-178.5	-69.3	-69.1	-172.8	158.8	3.9	113	V200 V204 R243 V244 E250 A251	V200-R247 HydrophobicContact CG1-CG 4.27Å; V204-R247 HydrophobicContact CG1-CB 4.46Å; V204-R247 HydrophobicContact CG2-CB 3.65Å; V204-R247 HydrophobicContact CG2-CG 4.46Å; R243-R247 WeakPolarHBondContact O-CB 3.5Å; R243-R247 VanDerWaalsContact O-CG 3.22Å; R243-R247 WeakPolarHBondContact O-CG 3.15Å; R243-R247 PolarHBondContact O-N 2.96Å; V244-R247 PolarHBondContact O-N 3.33Å; R247-E250 WeakPolarHBondContact CD-OE2 3.48Å; R247-E250 PolarHBondContact O-N 3.16Å; R247-A251 WeakPolarHBondContact O-CB 3.46Å; R247-A251 PolarHBondContact O-N 3.41Å
248	L	98.4	Very high	98.1	Very high	1 Å²	1	56.4 Å²	56.4	1%	0.005	30%	0.296	C	S	.	.	H	α-helix	trans	-61.9	-46.7	173.8	-70.3	173.8	0	0	0	111.4	V204 V207 V244 A246 A251 G252 L253	V204-L248 HydrophobicContact CG1-CD2 4.1Å; V204-L248 HydrophobicContact CG2-CG 4.48Å; V207-L248 HydrophobicContact CB-CD1 4.43Å; V207-L248 HydrophobicContact CB-CD2 3.76Å; V207-L248 HydrophobicContact CG1-CD1 4.2Å; V207-L248 HydrophobicContact CG1-CD2 3.65Å; V207-L248 HydrophobicContact CG2-CD1 4.2Å; V207-L248 HydrophobicContact CG2-CD2 4.35Å; V244-L248 HydrophobicContact CG1-CD1 3.9Å; V244-L248 HydrophobicContact CG1-CG 4.36Å; V244-L248 WeakPolarHBondContact O-CG 3.5Å; V244-L248 PolarHBondContact O-N 3.43Å; A246-L248 VanDerWaalsContact C-N 3.34Å; A246-L248 PolarHBondContact O-N 3.31Å; L248-A251 CarbonylContact O-C 3.49Å; L248-A251 PolarHBondContact O-N 2.83Å; L248-G252 PolarHBondContact O-N 3.33Å; L248-L253 CarbonylContact C-O 3.56Å; L248-L253 HydrophobicContact CB-CB 4.39Å; L248-L253 HydrophobicContact CD2-CB 4.12Å; L248-L253 HydrophobicContact CD2-CD1 3.92Å; L248-L253 WeakPolarHBondContact O-CA 3.4Å; L248-L253 PolarHBondContact O-N 3.3Å; L248-L253 VanDerWaalsContact O-O 3.08Å
249	R	98.3	Very high	98.1	Very high	159 Å²	159	52.1 Å²	52.1	60%	0.6	28%	0.28	S	S	*	.	H	α-helix	trans	-62.8	-43.4	177	-72.7	179.2	-71.1	132.5	-8.4	112.4	K245 A246 A251 G252 P255	K245-R249 WeakPolarHBondContact O-CG 3.34Å; K245-R249 PolarHBondContact O-N 3.2Å; K245-R249 PolarHBondContact O-NE 2.77Å; A246-R249 PolarHBondContact O-N 3.13Å; A246-R249 VanDerWaalsContact O-N 3.14Å; R249-A251 PolarHBondContact O-N 3.28Å; R249-G252 PolarHBondContact O-N 2.88Å; R249-P255 HydrophobicContact CG-CG 3.79Å
250	E	97.9	Very high	98.1	Very high	138 Å²	138	49.1 Å²	49.1	65%	0.645	26%	0.264	S	S	*	.	H	α-helix	trans	-60.1	-35.1	175.6	-71.9	164.7	-161.6	0	0	112.1	A246 R247 G252	A246-E250 WeakPolarHBondContact O-CG 3.41Å; A246-E250 PolarHBondContact O-N 2.8Å; R247-E250 WeakPolarHBondContact CD-OE2 3.48Å; R247-E250 PolarHBondContact O-N 3.16Å; E250-G252 PolarHBondContact O-N 2.98Å
251	A	96	Very high	98.1	Very high	63 Å²	63	49.2 Å²	49.2	52%	0.521	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.6	2.4	175.5	0	0	0	0	0	114	R247 L248 R249 L253	R247-A251 WeakPolarHBondContact O-CB 3.46Å; R247-A251 PolarHBondContact O-N 3.41Å; L248-A251 CarbonylContact O-C 3.49Å; L248-A251 PolarHBondContact O-N 2.83Å; R249-A251 PolarHBondContact O-N 3.28Å; A251-L253 HydrophobicContact CB-CD1 4.14Å; A251-L253 HydrophobicContact CB-CG 4.07Å; A251-L253 PolarHBondContact O-N 3.15Å
252	G	96.3	Very high	98.1	Very high	71 Å²	71	49.4 Å²	49.4	73%	0.732	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.4	18.2	-176.2	0	0	0	0	0	114.1	L248 R249 E250	L248-G252 PolarHBondContact O-N 3.33Å; R249-G252 PolarHBondContact O-N 2.88Å; E250-G252 PolarHBondContact O-N 2.98Å
253	L	95.4	Very high	98.1	Very high	35 Å²	35	43.8 Å²	43.8	18%	0.183	24%	0.241	C	C	.	.	P	Polyproline II helix	trans	-96.7	142	177.7	-54.9	175.6	0	0	0	110	Q9 A208 L248 A251 P255	Q9-L253 VanDerWaalsContact NE2-CD2 3.29Å; A208-L253 HydrophobicContact CB-CD1 4.07Å; L248-L253 CarbonylContact C-O 3.56Å; L248-L253 HydrophobicContact CB-CB 4.39Å; L248-L253 HydrophobicContact CD2-CB 4.12Å; L248-L253 HydrophobicContact CD2-CD1 3.92Å; L248-L253 WeakPolarHBondContact O-CA 3.4Å; L248-L253 PolarHBondContact O-N 3.3Å; L248-L253 VanDerWaalsContact O-O 3.08Å; A251-L253 HydrophobicContact CB-CD1 4.14Å; A251-L253 HydrophobicContact CB-CG 4.07Å; A251-L253 PolarHBondContact O-N 3.15Å; L253-P255 WeakPolarHBondContact O-CD 3.39Å
254	A	94.8	Very high	98	Very high	73 Å²	73	42.8 Å²	42.8	60%	0.603	24%	0.241	S	C	*	.	P	Polyproline II helix	trans	-65.4	130.6	173	0	0	0	0	0	110.1
255	P	97.3	Very high	98	Very high	49 Å²	49	42.9 Å²	42.9	32%	0.318	24%	0.242	S	C	.	.	P	Polyproline II helix	trans	-58.2	139.8	168	-24.9	35.8	0	0	0	111.2	K245 R249 L253	K245-P255 HydrophobicContact CG-CB 4.48Å; R249-P255 HydrophobicContact CG-CG 3.79Å; L253-P255 WeakPolarHBondContact O-CD 3.39Å
256	V	98.8	Very high	98	Very high	16 Å²	16	46.6 Å²	46.6	10%	0.097	26%	0.26	C	S	.	.	P	Polyproline II helix	trans	-99.8	154.5	175.6	-63.4	0	0	0	0	110.2	V207 Q212 L214 M258	V207-V256 HydrophobicContact CG1-CG1 3.86Å; V207-V256 HydrophobicContact CG2-CG1 4.27Å; V207-V256 HydrophobicContact CG2-CG2 3.6Å; Q212-V256 WeakPolarHBondContact O-CB 3.09Å; L214-V256 HydrophobicContact CD1-CG2 3.99Å; L214-V256 HydrophobicContact CG-CG2 3.83Å; V256-M258 PolarHBondContact O-N 3.27Å
257	P	98.9	Very high	98	Very high	3 Å²	3	47.5 Å²	47.5	2%	0.019	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-61.4	133.2	174.5	25.3	-32.6	0	0	0	109.9	L20 A23 W24 Q212 A213 L214 E278	L20-P257 HydrophobicContact CD2-CG 3.86Å; A23-P257 HydrophobicContact CB-CB 3.76Å; A23-P257 HydrophobicContact CB-CG 4Å; W24-P257 HydrophobicContact CD2-CB 4.38Å; W24-P257 HydrophobicContact CZ2-CB 4.03Å; W24-P257 HydrophobicContact CZ2-CG 4.32Å; Q212-P257 WeakPolarHBondContact O-CD 3.12Å; A213-P257 WeakPolarHBondContact CA-O 3.2Å; A213-P257 HydrophobicContact CB-CG 3.97Å; L214-P257 PolarHBondContact N-O 2.87Å; P257-E278 HydrophobicContact CB-CB 4.12Å; P257-E278 HydrophobicContact CB-CG 4.12Å
258	M	98.9	Very high	98	Very high	3 Å²	3	40.9 Å²	40.9	2%	0.015	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	136.6	178.3	-61	-171.8	64.3	0	0	110.6	L214 V240 A241 V244 K245 V256 Y277 E278 V279	L214-M258 HydrophobicContact CB-CG 4.4Å; L214-M258 HydrophobicContact CD1-CE 4.43Å; L214-M258 CarbonylContact O-C 3.55Å; L214-M258 WeakPolarHBondContact O-CA 3.44Å; V240-M258 HydrophobicContact CG1-CE 4.32Å; A241-M258 HydrophobicContact CB-CE 4.25Å; A241-M258 HydrophobicContact CB-SD 4.19Å; V244-M258 HydrophobicContact CB-CE 4.27Å; V244-M258 HydrophobicContact CB-SD 4.19Å; V244-M258 HydrophobicContact CG1-CE 4.31Å; V244-M258 HydrophobicContact CG1-SD 4.03Å; V244-M258 HydrophobicContact CG2-CE 4.49Å; K245-M258 HydrophobicContact CG-SD 4.16Å; V256-M258 PolarHBondContact O-N 3.27Å; M258-Y277 HydrophobicContact CB-CD1 3.63Å; M258-Y277 HydrophobicContact CB-CE1 4.06Å; M258-Y277 HydrophobicContact CB-CG 4.49Å; M258-Y277 HydrophobicContact CE-CE1 4.06Å; M258-E278 PolarHBondContact N-OE2 3.22Å; M258-E278 PolarHBondContact O-N 3.45Å; M258-V279 PolarHBondContact O-N 3.08Å; M258-V279 VanDerWaalsContact O-N 3.17Å
259	I	99	Very high	98.1	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	127.5	-178	-45	172	0	0	0	108.6	F19 L214 Q215 L216 V279	F19-I259 HydrophobicContact CZ-CD1 3.94Å; L214-I259 PolarHBondContact O-N 2.76Å; Q215-I259 CarbonylContact C-O 3.57Å; Q215-I259 WeakPolarHBondContact CA-O 3.4Å; Q215-I259 HydrophobicContact CB-CB 4.13Å; Q215-I259 HydrophobicContact CB-CD1 4.37Å; Q215-I259 HydrophobicContact CG-CB 4.04Å; Q215-I259 HydrophobicContact CG-CG2 4.15Å; L216-I259 PolarHBondContact N-O 3.49Å; I259-V279 WeakPolarHBondContact CA-O 3.41Å; I259-V279 HydrophobicContact CB-CB 4.12Å; I259-V279 HydrophobicContact CG1-CB 3.87Å; I259-V279 HydrophobicContact CG1-CG1 4.35Å; I259-V279 HydrophobicContact CG1-CG2 4.14Å; I259-V279 HydrophobicContact CG2-CB 3.91Å; I259-V279 HydrophobicContact CG2-CG1 3.81Å
260	I	98.9	Very high	98.1	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	121.5	168.4	-178.3	56.2	0	0	0	109.2	L216 E218 I237 L272 Y277 V279 V280 G281	L216-I260 HydrophobicContact CB-CD1 4.2Å; L216-I260 HydrophobicContact CD2-CD1 4.29Å; E218-I260 HydrophobicContact CB-CD1 4.23Å; I237-I260 HydrophobicContact CD1-CD1 4.24Å; I237-I260 HydrophobicContact CG1-CD1 4.36Å; I237-I260 HydrophobicContact CG2-CD1 3.92Å; I237-I260 HydrophobicContact CG2-CG1 4Å; I260-L272 HydrophobicContact CG1-CD2 3.81Å; I260-L272 HydrophobicContact CG2-CB 4.42Å; I260-L272 HydrophobicContact CG2-CD2 4.38Å; I260-Y277 HydrophobicContact CB-CD1 3.67Å; I260-Y277 HydrophobicContact CB-CD2 4Å; I260-Y277 HydrophobicContact CB-CE1 3.92Å; I260-Y277 HydrophobicContact CB-CE2 4.26Å; I260-Y277 HydrophobicContact CB-CG 3.72Å; I260-Y277 HydrophobicContact CG2-CD1 4.1Å; I260-Y277 HydrophobicContact CG2-CD2 3.95Å; I260-Y277 HydrophobicContact CG2-CG 3.66Å; I260-V279 PolarHBondContact N-O 2.85Å; I260-V280 HydrophobicContact CG2-CG2 4.13Å; I260-G281 PolarHBondContact O-N 3.28Å
261	F	98.9	Very high	98.1	Very high	3 Å²	3	36.1 Å²	36.1	1%	0.013	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	104.9	175	173.2	-110.7	0	0	0	109.5	M36 L216 F217 E218 K263 G338	M36-F261 HydrophobicContact CE-CE1 4.41Å; M36-F261 HydrophobicContact CE-CE2 4.06Å; M36-F261 HydrophobicContact CE-CZ 3.97Å; M36-F261 HydrophobicContact SD-CD1 4.19Å; M36-F261 HydrophobicContact SD-CE1 3.97Å; M36-F261 HydrophobicContact SD-CZ 4.14Å; L216-F261 PolarHBondContact O-N 3.24Å; F217-F261 AromaticContact CD1-CD1 3.79Å; F217-F261 HydrophobicContact CD1-CD1 3.79Å; F217-F261 HydrophobicContact CD1-CE1 4.47Å; F217-F261 HydrophobicContact CE1-CD1 4.29Å; E218-F261 CarbonylContact C-O 3.54Å; E218-F261 WeakPolarHBondContact CA-O 3.33Å; E218-F261 PolarHBondContact N-O 3.4Å; F261-K263 HydrophobicContact CE1-CB 3.96Å; F261-K263 HydrophobicContact CZ-CB 3.92Å; F261-K263 HydrophobicContact CZ-CG 4.23Å; F261-G338 WeakPolarHBondContact CZ-O 3.43Å
262	A	98.8	Very high	98.3	Very high	4 Å²	4	33.1 Å²	33.1	3%	0.033	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	96.4	176.9	0	0	0	0	0	109.6	E218 A221 D264 G265 L272	E218-A262 HydrophobicContact CB-CB 4.22Å; E218-A262 WeakPolarHBondContact O-CA 3.29Å; A221-A262 HydrophobicContact CB-CB 3.89Å; A262-D264 PolarHBondContact O-N 3.3Å; A262-G265 WeakPolarHBondContact O-CA 3.31Å; A262-G265 PolarHBondContact O-N 2.83Å; A262-G265 VanDerWaalsContact O-N 3.08Å; A262-L272 HydrophobicContact CB-CD1 3.6Å
263	K	98.8	Very high	98.4	Very high	33 Å²	33	30.2 Å²	30.2	14%	0.143	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	134.7	-179.6	-169.5	-157.1	177.7	-67.3	0	110.1	E218 A221 G222 F261 G265 D283 H339	E218-K263 PolarHBondContact O-N 3.29Å; A221-K263 WeakPolarHBondContact CB-O 3.45Å; G222-K263 PolarHBondContact N-O 3.39Å; F261-K263 HydrophobicContact CE1-CB 3.96Å; F261-K263 HydrophobicContact CZ-CB 3.92Å; F261-K263 HydrophobicContact CZ-CG 4.23Å; K263-G265 PolarHBondContact O-N 3.18Å; K263-D283 HydrophobicContact CG-CB 4.32Å; K263-H339 VanDerWaalsContact CD-CD2 3.5Å; K263-H339 WeakPolarHBondContact CD-CD2 3.42Å
264	D	98.8	Very high	98.5	Very high	51 Å²	51	34.8 Å²	34.8	27%	0.273	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	60	25	-175	-49.7	-40.8	0	0	0	111.3	G222 A262 H266 D283	G222-D264 WeakPolarHBondContact CA-O 3.31Å; A262-D264 PolarHBondContact O-N 3.3Å; D264-H266 PolarHBondContact O-N 3.02Å; D264-D283 VanDerWaalsContact CA-OD2 3.24Å; D264-D283 WeakPolarHBondContact CA-OD2 3.42Å; D264-D283 PolarHBondContact N-OD2 3.15Å
265	G	98.6	Very high	98.7	Very high	2 Å²	2	31.5 Å²	31.5	2%	0.021	16%	0.157	C	C	.	.			trans	-94.2	23.8	-172.6	0	0	0	0	0	114.4	A262 K263 F267 A268	A262-G265 WeakPolarHBondContact O-CA 3.31Å; A262-G265 PolarHBondContact O-N 2.83Å; A262-G265 VanDerWaalsContact O-N 3.08Å; K263-G265 PolarHBondContact O-N 3.18Å; G265-F267 PolarHBondContact O-N 2.78Å; G265-A268 PolarHBondContact O-N 3.26Å
266	H	98.8	Very high	98.8	Very high	113 Å²	113	31.1 Å²	31.1	52%	0.523	16%	0.162	S	C	.	.	G	3₁₀ helix	trans	-52.7	-31	-175.2	67.7	81.8	0	0	0	113.6	D264 A268 V286	D264-H266 PolarHBondContact O-N 3.02Å; H266-A268 VanDerWaalsContact C-N 3.26Å; H266-A268 PolarHBondContact O-N 3.17Å; H266-V286 HydrophobicContact CB-CG2 3.78Å
267	F	98.8	Very high	98.8	Very high	41 Å²	41	30.7 Å²	30.7	18%	0.18	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	-76.3	-9	-177.7	63	-98.7	0	0	0	114.2	L224 P226 F229 G265	L224-F267 VanDerWaalsContact O-CE1 3.3Å; L224-F267 WeakPolarHBondContact O-CE1 3.44Å; L224-F267 VanDerWaalsContact O-CZ 3.27Å; L224-F267 WeakPolarHBondContact O-CZ 3.49Å; P226-F267 HydrophobicContact CB-CD2 4.2Å; P226-F267 HydrophobicContact CG-CB 4.05Å; P226-F267 HydrophobicContact CG-CD2 3.92Å; P226-F267 HydrophobicContact CG-CG 4.12Å; F229-F267 HydrophobicContact CB-CE2 3.53Å; F229-F267 HydrophobicContact CB-CZ 4.05Å; F229-F267 HydrophobicContact CD1-CE2 4.04Å; F229-F267 AromaticContact CD2-CE2 3.94Å; F229-F267 HydrophobicContact CD2-CE2 3.94Å; F229-F267 AromaticContact CD2-CZ 3.97Å; F229-F267 HydrophobicContact CD2-CZ 3.97Å; F229-F267 AromaticContact CG-CE2 3.57Å; F229-F267 HydrophobicContact CG-CE2 3.57Å; F229-F267 HydrophobicContact CG-CZ 4.06Å; G265-F267 PolarHBondContact O-N 2.78Å
268	A	98.8	Very high	98.8	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.166	C	C	.	.	G	3₁₀ helix	trans	-119	7.9	-174.6	0	0	0	0	0	113.2	F229 G265 H266 E270 E271 L272	F229-A268 HydrophobicContact CD1-CB 3.75Å; F229-A268 HydrophobicContact CE1-CB 3.42Å; F229-A268 VanDerWaalsContact CE1-CB 3.42Å; F229-A268 HydrophobicContact CG-CB 4.48Å; F229-A268 HydrophobicContact CZ-CB 3.92Å; G265-A268 PolarHBondContact O-N 3.26Å; H266-A268 VanDerWaalsContact C-N 3.26Å; H266-A268 PolarHBondContact O-N 3.17Å; A268-E270 VanDerWaalsContact C-N 3.31Å; A268-E270 PolarHBondContact O-N 3.04Å; A268-E271 WeakPolarHBondContact CA-OE2 3.47Å; A268-E271 PolarHBondContact O-N 3.03Å; A268-L272 HydrophobicContact CB-CD1 4.2Å; A268-L272 HydrophobicContact CB-CG 4.24Å; A268-L272 VanDerWaalsContact O-CB 3.31Å; A268-L272 WeakPolarHBondContact O-CB 3.44Å; A268-L272 WeakPolarHBondContact O-CG 3.24Å; A268-L272 PolarHBondContact O-N 3.25Å
269	L	98.8	Very high	98.8	Very high	9 Å²	9	32.2 Å²	32.2	5%	0.047	17%	0.165	C	C	.	.	H	α-helix	trans	-60	-40.6	-173.4	-67.4	178.4	0	0	0	112.6	S273 V280 L282 V286 A291 C294 V295	L269-S273 PolarHBondContact O-N 2.75Å; L269-V280 HydrophobicContact CD2-CG1 4.11Å; L269-L282 HydrophobicContact CD1-CD2 4.25Å; L269-L282 HydrophobicContact CD2-CD2 3.47Å; L269-L282 VanDerWaalsContact CD2-CD2 3.47Å; L269-V286 HydrophobicContact CD1-CG1 3.9Å; L269-A291 HydrophobicContact CD1-CB 4.34Å; L269-C294 HydrophobicContact CB-CB 3.79Å; L269-C294 HydrophobicContact CD1-CB 4.34Å; L269-V295 HydrophobicContact CB-CG1 4.11Å
270	E	98.8	Very high	98.8	Very high	135 Å²	135	32.2 Å²	32.2	63%	0.631	17%	0.165	S	C	*	.	H	α-helix	trans	-62.2	-50.6	177	-175.2	176	176.7	0	0	110.5	A268 L272 S273	A268-E270 VanDerWaalsContact C-N 3.31Å; A268-E270 PolarHBondContact O-N 3.04Å; E270-L272 PolarHBondContact O-N 3.15Å; E270-S273 WeakPolarHBondContact O-CB 3.41Å; E270-S273 PolarHBondContact O-N 3.38Å; E270-S273 PolarHBondContact O-OG 2.95Å
271	E	98.8	Very high	98.8	Very high	54 Å²	54	32.3 Å²	32.3	25%	0.252	17%	0.166	S	C	.	.	H	α-helix	trans	-64.6	-38.6	179.8	-66.4	91.5	155.2	0	0	113.1	L234 A268 S273 Q274 A275	L234-E271 HydrophobicContact CD1-CB 4.25Å; L234-E271 HydrophobicContact CD2-CB 3.71Å; L234-E271 HydrophobicContact CD2-CG 4.05Å; A268-E271 WeakPolarHBondContact CA-OE2 3.47Å; A268-E271 PolarHBondContact O-N 3.03Å; E271-S273 VanDerWaalsContact C-N 3.33Å; E271-Q274 CarbonylContact O-C 3.58Å; E271-Q274 PolarHBondContact O-N 3.27Å; E271-Q274 VanDerWaalsContact O-N 3.16Å; E271-A275 PolarHBondContact O-N 3.34Å
272	L	98.8	Very high	98.8	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.005	17%	0.166	C	C	.	.	H	α-helix	trans	-66	-35.3	177.4	-72.7	176.9	0	0	0	111.9	F229 L234 I237 I260 A262 A268 E270 Q274 A275 V280	F229-L272 HydrophobicContact CE1-CD2 4.41Å; F229-L272 HydrophobicContact CZ-CD2 4.13Å; F229-L272 HydrophobicContact CZ-CG 4.48Å; L234-L272 HydrophobicContact CD1-CD2 4.2Å; I237-L272 HydrophobicContact CD1-CD2 4.2Å; I237-L272 HydrophobicContact CG2-CD2 4.22Å; I260-L272 HydrophobicContact CG1-CD2 3.81Å; I260-L272 HydrophobicContact CG2-CB 4.42Å; I260-L272 HydrophobicContact CG2-CD2 4.38Å; A262-L272 HydrophobicContact CB-CD1 3.6Å; A268-L272 HydrophobicContact CB-CD1 4.2Å; A268-L272 HydrophobicContact CB-CG 4.24Å; A268-L272 VanDerWaalsContact O-CB 3.31Å; A268-L272 WeakPolarHBondContact O-CB 3.44Å; A268-L272 WeakPolarHBondContact O-CG 3.24Å; A268-L272 PolarHBondContact O-N 3.25Å; E270-L272 PolarHBondContact O-N 3.15Å; L272-Q274 PolarHBondContact O-N 2.9Å; L272-A275 WeakPolarHBondContact O-CB 3.44Å; L272-A275 PolarHBondContact O-N 3.09Å; L272-V280 HydrophobicContact CB-CG2 4.48Å
273	S	98.6	Very high	98.8	Very high	10 Å²	10	32.2 Å²	32.2	7%	0.07	17%	0.165	C	C	.	.	H	α-helix	trans	-61.5	-24.7	173.8	81.1	0	0	0	0	112.9	L269 E270 E271 V299	L269-S273 PolarHBondContact O-N 2.75Å; E270-S273 WeakPolarHBondContact O-CB 3.41Å; E270-S273 PolarHBondContact O-N 3.38Å; E270-S273 PolarHBondContact O-OG 2.95Å; E271-S273 VanDerWaalsContact C-N 3.33Å; S273-V299 WeakPolarHBondContact O-CG1 3.36Å
274	Q	98.7	Very high	98.8	Very high	130 Å²	130	34.6 Å²	34.6	61%	0.607	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	-102.4	6.6	179.1	-54.9	-55.4	-43	0	0	112.7	R238 E271 L272 G276	R238-Q274 PolarHBondContact NH2-O 3.11Å; E271-Q274 CarbonylContact O-C 3.58Å; E271-Q274 PolarHBondContact O-N 3.27Å; E271-Q274 VanDerWaalsContact O-N 3.16Å; L272-Q274 PolarHBondContact O-N 2.9Å; Q274-G276 VanDerWaalsContact C-N 3.26Å; Q274-G276 PolarHBondContact O-N 3.44Å
275	A	98.7	Very high	98.8	Very high	5 Å²	5	36.1 Å²	36.1	4%	0.041	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	1.4	-174.2	0	0	0	0	0	113.9	L234 I237 R238 E271 L272 Y277	L234-A275 HydrophobicContact CD1-CB 4.27Å; I237-A275 HydrophobicContact CG2-CB 4.38Å; R238-A275 HydrophobicContact CG-CB 3.86Å; E271-A275 PolarHBondContact O-N 3.34Å; L272-A275 WeakPolarHBondContact O-CB 3.44Å; L272-A275 PolarHBondContact O-N 3.09Å; A275-Y277 HydrophobicContact CB-CD2 3.95Å; A275-Y277 HydrophobicContact CB-CE2 4.26Å
276	G	98.4	Very high	98.8	Very high	41 Å²	41	36.7 Å²	36.7	42%	0.423	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	86	25	179	0	0	0	0	0	114	K245 Q274	K245-G276 PolarHBondContact NZ-O 2.97Å; Q274-G276 VanDerWaalsContact C-N 3.26Å; Q274-G276 PolarHBondContact O-N 3.44Å
277	Y	98.9	Very high	98.8	Very high	7 Å²	7	33.6 Å²	33.6	3%	0.027	18%	0.181	C	C	.	.			trans	-104.5	142.4	172.9	-69.1	-100.2	0	0	0	109.7	L216 I237 A241 M258 I260 A275 V279	L216-Y277 HydrophobicContact CB-CE1 4.24Å; L216-Y277 VanDerWaalsContact CD2-OH 3.29Å; L216-Y277 WeakPolarHBondContact CD2-OH 3.27Å; I237-Y277 HydrophobicContact CG2-CD2 4.34Å; I237-Y277 HydrophobicContact CG2-CE2 3.45Å; I237-Y277 VanDerWaalsContact CG2-CE2 3.45Å; I237-Y277 WeakPolarHBondContact O-CE2 3.24Å; I237-Y277 PolarHBondContact O-OH 3.25Å; A241-Y277 HydrophobicContact CB-CD2 4Å; A241-Y277 HydrophobicContact CB-CE1 4.21Å; A241-Y277 HydrophobicContact CB-CE2 3.5Å; M258-Y277 HydrophobicContact CB-CD1 3.63Å; M258-Y277 HydrophobicContact CB-CE1 4.06Å; M258-Y277 HydrophobicContact CB-CG 4.49Å; M258-Y277 HydrophobicContact CE-CE1 4.06Å; I260-Y277 HydrophobicContact CB-CD1 3.67Å; I260-Y277 HydrophobicContact CB-CD2 4Å; I260-Y277 HydrophobicContact CB-CE1 3.92Å; I260-Y277 HydrophobicContact CB-CE2 4.26Å; I260-Y277 HydrophobicContact CB-CG 3.72Å; I260-Y277 HydrophobicContact CG2-CD1 4.1Å; I260-Y277 HydrophobicContact CG2-CD2 3.95Å; I260-Y277 HydrophobicContact CG2-CG 3.66Å; A275-Y277 HydrophobicContact CB-CD2 3.95Å; A275-Y277 HydrophobicContact CB-CE2 4.26Å; Y277-V279 VanDerWaalsContact C-N 3.34Å
278	E	98.9	Very high	98.8	Very high	37 Å²	37	32.3 Å²	32.3	17%	0.173	18%	0.177	C	C	.	.	S	Bend	trans	-71	-34.3	175.9	-77.7	62.4	-135.6	0	0	111.5	W24 K245 P257 M258 T300	W24-E278 HydrophobicContact CD2-CG 4.28Å; W24-E278 HydrophobicContact CE3-CG 3.45Å; W24-E278 VanDerWaalsContact CE3-CG 3.45Å; W24-E278 HydrophobicContact CH2-CG 3.86Å; W24-E278 VanDerWaalsContact CZ3-CD 3.47Å; W24-E278 HydrophobicContact CZ3-CG 3.21Å; W24-E278 WeakPolarHBondContact CZ3-OE1 3.31Å; K245-E278 WeakPolarHBondContact CE-OE2 3.42Å; K245-E278 IonicContact NZ-OE1 3.14Å; K245-E278 PolarHBondContact NZ-OE1 2.92Å; K245-E278 IonicContact NZ-OE2 3.97Å; K245-E278 PolarHBondContact NZ-OE2 3.28Å; P257-E278 HydrophobicContact CB-CB 4.12Å; P257-E278 HydrophobicContact CB-CG 4.12Å; M258-E278 PolarHBondContact N-OE2 3.22Å; M258-E278 PolarHBondContact O-N 3.45Å; E278-T300 PolarHBondContact O-N 2.92Å
279	V	98.9	Very high	98.8	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	134.5	-173.1	-173.8	0	0	0	0	111	A23 M258 I259 I260 Y277 T300 Q302 I334	A23-V279 HydrophobicContact CB-CG2 3.79Å; M258-V279 PolarHBondContact O-N 3.08Å; M258-V279 VanDerWaalsContact O-N 3.17Å; I259-V279 WeakPolarHBondContact CA-O 3.41Å; I259-V279 HydrophobicContact CB-CB 4.12Å; I259-V279 HydrophobicContact CG1-CB 3.87Å; I259-V279 HydrophobicContact CG1-CG1 4.35Å; I259-V279 HydrophobicContact CG1-CG2 4.14Å; I259-V279 HydrophobicContact CG2-CB 3.91Å; I259-V279 HydrophobicContact CG2-CG1 3.81Å; I260-V279 PolarHBondContact N-O 2.85Å; Y277-V279 VanDerWaalsContact C-N 3.34Å; V279-T300 CarbonylContact C-O 3.57Å; V279-T300 VanDerWaalsContact CA-O 3.24Å; V279-T300 WeakPolarHBondContact CA-O 3.36Å; V279-T300 HydrophobicContact CG1-CG2 4.15Å; V279-T300 HydrophobicContact CG2-CG2 4.1Å; V279-Q302 HydrophobicContact CG1-CB 3.62Å; V279-I334 HydrophobicContact CG2-CD1 4.3Å
280	V	98.9	Very high	98.8	Very high	1 Å²	1	44 Å²	44	1%	0.006	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	114.8	169	179.6	0	0	0	0	108.8	I260 L269 L272 L282 V299 T300 L301 Q302	I260-V280 HydrophobicContact CG2-CG2 4.13Å; L269-V280 HydrophobicContact CD2-CG1 4.11Å; L272-V280 HydrophobicContact CB-CG2 4.48Å; V280-L282 HydrophobicContact CG1-CD2 4.27Å; V280-V299 HydrophobicContact CG2-CG2 4.15Å; V280-T300 PolarHBondContact N-O 3.36Å; V280-L301 HydrophobicContact CB-CD2 4.21Å; V280-L301 WeakPolarHBondContact O-CA 3.48Å; V280-Q302 PolarHBondContact O-N 3.47Å
281	G	98.9	Very high	98.8	Very high	2 Å²	2	37.5 Å²	37.5	2%	0.021	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	140.5	173.8	0	0	0	0	0	111.6	I260 Q302	I260-G281 PolarHBondContact O-N 3.28Å; G281-Q302 CarbonylContact C-O 3.53Å; G281-Q302 WeakPolarHBondContact CA-O 3.5Å
282	L	98.9	Very high	98.8	Very high	3 Å²	3	37.4 Å²	37.4	2%	0.016	20%	0.195	C	C	.	.			trans	-119.6	142.4	-174.4	-57.9	174.5	0	0	0	111.1	L269 V280 A291 L301 Q302 N304 F328 G338	L269-L282 HydrophobicContact CD1-CD2 4.25Å; L269-L282 HydrophobicContact CD2-CD2 3.47Å; L269-L282 VanDerWaalsContact CD2-CD2 3.47Å; V280-L282 HydrophobicContact CG1-CD2 4.27Å; L282-A291 HydrophobicContact CD1-CB 3.41Å; L282-A291 VanDerWaalsContact CD1-CB 3.41Å; L282-A291 HydrophobicContact CD2-CB 4.1Å; L282-A291 HydrophobicContact CG-CB 4.41Å; L282-L301 HydrophobicContact CD1-CB 4.35Å; L282-L301 HydrophobicContact CD1-CD1 4.14Å; L282-L301 HydrophobicContact CD1-CD2 3.89Å; L282-L301 HydrophobicContact CD1-CG 4.35Å; L282-L301 HydrophobicContact CD2-CD2 4.28Å; L282-L301 HydrophobicContact CG-CD2 4.17Å; L282-Q302 PolarHBondContact N-O 3.04Å; L282-N304 HydrophobicContact CB-CB 3.87Å; L282-N304 WeakPolarHBondContact O-CB 3.21Å; L282-F328 HydrophobicContact CD1-CE1 3.85Å; L282-F328 HydrophobicContact CD1-CZ 3.95Å; L282-G338 WeakPolarHBondContact O-CA 3.3Å
283	D	98.9	Very high	98.8	Very high	2 Å²	2	44.5 Å²	44.5	1%	0.011	23%	0.228	C	C	.	.			trans	-80.4	169.3	162.5	66.4	71.2	0	0	0	111.6	K263 D264 T285 N304 G338	K263-D283 HydrophobicContact CG-CB 4.32Å; D264-D283 VanDerWaalsContact CA-OD2 3.24Å; D264-D283 WeakPolarHBondContact CA-OD2 3.42Å; D264-D283 PolarHBondContact N-OD2 3.15Å; D283-T285 PolarHBondContact O-N 2.91Å; D283-T285 VanDerWaalsContact OD1-CB 3.27Å; D283-T285 WeakPolarHBondContact OD1-CB 3.42Å; D283-T285 WeakPolarHBondContact OD1-CG2 3.35Å; D283-T285 PolarHBondContact OD1-N 3.34Å; D283-T285 PolarHBondContact OD1-OG1 2.9Å; D283-N304 WeakPolarHBondContact O-CB 3.44Å; D283-N304 PolarHBondContact O-ND2 2.81Å; D283-G338 WeakPolarHBondContact CA-O 3.47Å
284	W	98.8	Very high	98.7	Very high	83 Å²	83	46.7 Å²	46.7	31%	0.314	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-6.2	-172.1	72.3	95.6	0	0	0	114.6	V286 N304 D306 H339	W284-V286 VanDerWaalsContact C-N 3.3Å; W284-N304 WeakPolarHBondContact CA-O 3.5Å; W284-N304 WeakPolarHBondContact CB-O 3.42Å; W284-D306 HydrophobicContact CB-CB 3.93Å; W284-D306 HydrophobicContact CD2-CB 4.48Å; W284-D306 HydrophobicContact CG-CB 3.77Å; W284-H339 HydrophobicContact CE3-CB 4.3Å; W284-H339 HydrophobicContact CZ3-CB 3.77Å
285	T	98.8	Very high	98.7	Very high	82 Å²	82	40.8 Å²	40.8	50%	0.503	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-16.9	-179.6	74.7	0	0	0	0	112.4	D283	D283-T285 PolarHBondContact O-N 2.91Å; D283-T285 VanDerWaalsContact OD1-CB 3.27Å; D283-T285 WeakPolarHBondContact OD1-CB 3.42Å; D283-T285 WeakPolarHBondContact OD1-CG2 3.35Å; D283-T285 PolarHBondContact OD1-N 3.34Å; D283-T285 PolarHBondContact OD1-OG1 2.9Å
286	V	98.8	Very high	98.6	Very high	14 Å²	14	42 Å²	42	9%	0.085	23%	0.229	C	C	.	.	S	Bend	trans	-94.3	120.2	-177.9	-171.4	0	0	0	0	110.4	H266 L269 W284 A291 N304	H266-V286 HydrophobicContact CB-CG2 3.78Å; L269-V286 HydrophobicContact CD1-CG1 3.9Å; W284-V286 VanDerWaalsContact C-N 3.3Å; V286-A291 HydrophobicContact CG1-CB 3.77Å; V286-N304 PolarHBondContact O-ND2 2.87Å
287	A	98.8	Very high	98.4	Very high	48 Å²	48	48.3 Å²	48.3	40%	0.397	24%	0.244	S	C	.	.			trans	-61.9	130.3	172.9	0	0	0	0	0	110.7	K289 K290 A291	A287-K289 VanDerWaalsContact C-N 3.3Å; A287-K289 PolarHBondContact O-N 3.21Å; A287-K290 HydrophobicContact CB-CB 4.39Å; A287-K290 HydrophobicContact CB-CD 4.34Å; A287-K290 HydrophobicContact CB-CG 4.25Å; A287-K290 PolarHBondContact O-N 2.91Å; A287-A291 PolarHBondContact O-N 3.08Å
288	P	98.8	Very high	98.2	Very high	15 Å²	15	53.7 Å²	53.7	10%	0.097	28%	0.278	C	S	.	.	H	α-helix	trans	-54.5	-41.2	-174.5	-30.5	36	0	0	0	114.6	K290 A291 R292 D327 F328	P288-K290 PolarHBondContact O-N 3.26Å; P288-A291 WeakPolarHBondContact O-CB 3.38Å; P288-A291 PolarHBondContact O-N 2.91Å; P288-R292 PolarHBondContact O-N 2.78Å; P288-D327 HydrophobicContact CB-CB 3.87Å; P288-D327 HydrophobicContact CG-CB 3.94Å; P288-F328 HydrophobicContact CB-CD1 3.8Å; P288-F328 HydrophobicContact CB-CD2 3.69Å; P288-F328 HydrophobicContact CB-CE1 3.76Å; P288-F328 HydrophobicContact CB-CE2 3.65Å; P288-F328 HydrophobicContact CB-CG 3.76Å; P288-F328 HydrophobicContact CB-CZ 3.67Å; P288-F328 HydrophobicContact CG-CD2 3.78Å; P288-F328 HydrophobicContact CG-CE1 4.37Å; P288-F328 HydrophobicContact CG-CE2 3.45Å; P288-F328 VanDerWaalsContact CG-CE2 3.45Å; P288-F328 HydrophobicContact CG-CG 4.37Å; P288-F328 HydrophobicContact CG-CZ 3.77Å
289	K	98.6	Very high	98.2	Very high	119 Å²	119	52.4 Å²	52.4	52%	0.517	27%	0.273	S	S	.	.	H	α-helix	trans	-61.7	-43	177.7	-69.2	175	172.8	147.9	0	112.3	A287 R292 E293 D327	A287-K289 VanDerWaalsContact C-N 3.3Å; A287-K289 PolarHBondContact O-N 3.21Å; K289-R292 WeakPolarHBondContact O-CB 3.44Å; K289-R292 PolarHBondContact O-N 2.78Å; K289-E293 WeakPolarHBondContact O-CG 3.41Å; K289-E293 PolarHBondContact O-N 2.73Å; K289-D327 WeakPolarHBondContact CE-OD1 3.29Å; K289-D327 HydrophobicContact CG-CB 4.43Å; K289-D327 IonicContact NZ-OD1 3.9Å; K289-D327 PolarHBondContact NZ-OD1 2.96Å
290	K	98.6	Very high	98.2	Very high	134 Å²	134	52.5 Å²	52.5	58%	0.583	27%	0.273	S	S	*	.	H	α-helix	trans	-67.8	-39.9	175.9	-66.8	-173.4	178.2	-178.7	0	111.8	A287 P288 R292 E293 C294	A287-K290 HydrophobicContact CB-CB 4.39Å; A287-K290 HydrophobicContact CB-CD 4.34Å; A287-K290 HydrophobicContact CB-CG 4.25Å; A287-K290 PolarHBondContact O-N 2.91Å; P288-K290 PolarHBondContact O-N 3.26Å; K290-R292 VanDerWaalsContact C-N 3.27Å; K290-R292 PolarHBondContact O-N 3.1Å; K290-E293 WeakPolarHBondContact O-CB 3.25Å; K290-E293 PolarHBondContact O-N 3.27Å; K290-C294 PolarHBondContact O-N 2.76Å; K290-C294 PolarHBondContact O-SG 3.5Å; K290-C294 VanDerWaalsContact O-SG 3.33Å
291	A	98.7	Very high	98.2	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-58.5	-44.3	173.9	0	0	0	0	0	110.9	L269 L282 V286 A287 P288 E293 C294 V295 L301	L269-A291 HydrophobicContact CD1-CB 4.34Å; L282-A291 HydrophobicContact CD1-CB 3.41Å; L282-A291 VanDerWaalsContact CD1-CB 3.41Å; L282-A291 HydrophobicContact CD2-CB 4.1Å; L282-A291 HydrophobicContact CG-CB 4.41Å; V286-A291 HydrophobicContact CG1-CB 3.77Å; A287-A291 PolarHBondContact O-N 3.08Å; P288-A291 WeakPolarHBondContact O-CB 3.38Å; P288-A291 PolarHBondContact O-N 2.91Å; A291-E293 VanDerWaalsContact C-N 3.34Å; A291-E293 PolarHBondContact O-N 3.29Å; A291-C294 PolarHBondContact O-N 2.57Å; A291-V295 WeakPolarHBondContact O-CG1 3.31Å; A291-V295 WeakPolarHBondContact O-CG2 3.37Å; A291-V295 PolarHBondContact O-N 2.89Å; A291-L301 HydrophobicContact CB-CD1 4.07Å
292	R	98.6	Very high	98.2	Very high	51 Å²	51	52.4 Å²	52.4	19%	0.192	27%	0.273	C	S	.	.	H	α-helix	trans	-62.6	-38.6	176.7	-175.1	60.8	68.9	-167.6	5.2	112.7	P288 K289 K290 G296 V299 L301 R332	P288-R292 PolarHBondContact O-N 2.78Å; K289-R292 WeakPolarHBondContact O-CB 3.44Å; K289-R292 PolarHBondContact O-N 2.78Å; K290-R292 VanDerWaalsContact C-N 3.27Å; K290-R292 PolarHBondContact O-N 3.1Å; R292-G296 VanDerWaalsContact CD-O 3.26Å; R292-G296 WeakPolarHBondContact CD-O 3.4Å; R292-G296 PolarHBondContact O-N 2.98Å; R292-G296 VanDerWaalsContact O-N 3.09Å; R292-V299 PolarHBondContact NH1-O 3.02Å; R292-L301 HydrophobicContact CB-CD1 4.27Å; R292-R332 PolarHBondContact NH2-O 3.36Å
293	E	98.5	Very high	98.2	Very high	150 Å²	150	52.3 Å²	52.3	70%	0.701	27%	0.272	S	S	*	.	H	α-helix	trans	-59.9	-46.2	172.4	-70.9	164	-172.1	0	0	111.4	K289 K290 A291	K289-E293 WeakPolarHBondContact O-CG 3.41Å; K289-E293 PolarHBondContact O-N 2.73Å; K290-E293 WeakPolarHBondContact O-CB 3.25Å; K290-E293 PolarHBondContact O-N 3.27Å; A291-E293 VanDerWaalsContact C-N 3.34Å; A291-E293 PolarHBondContact O-N 3.29Å
294	C	98.3	Very high	98.1	Very high	57 Å²	57	52.7 Å²	52.7	39%	0.385	27%	0.274	S	S	.	.	H	α-helix	trans	-67.8	-42.6	-179.1	-65.3	0	0	0	0	113.8	L269 K290 A291	L269-C294 HydrophobicContact CB-CB 3.79Å; L269-C294 HydrophobicContact CD1-CB 4.34Å; K290-C294 PolarHBondContact O-N 2.76Å; K290-C294 PolarHBondContact O-SG 3.5Å; K290-C294 VanDerWaalsContact O-SG 3.33Å; A291-C294 PolarHBondContact O-N 2.57Å
295	V	98.1	Very high	98.2	Very high	6 Å²	6	49.4 Å²	49.4	4%	0.036	26%	0.263	C	S	.	.	H	α-helix	trans	-90.1	-8.4	-173.9	-52.2	0	0	0	0	113.8	L269 A291 V299 L301	L269-V295 HydrophobicContact CB-CG1 4.11Å; A291-V295 WeakPolarHBondContact O-CG1 3.31Å; A291-V295 WeakPolarHBondContact O-CG2 3.37Å; A291-V295 PolarHBondContact O-N 2.89Å; V295-V299 HydrophobicContact CB-CG2 3.62Å; V295-V299 HydrophobicContact CG1-CG2 4.44Å; V295-V299 HydrophobicContact CG2-CG2 3.65Å; V295-L301 HydrophobicContact CB-CD2 4.46Å; V295-L301 HydrophobicContact CG1-CD2 4.07Å; V295-L301 HydrophobicContact CG2-CD1 4.17Å; V295-L301 HydrophobicContact CG2-CD2 3.7Å; V295-L301 HydrophobicContact CG2-CG 4.04Å
296	G	96.7	Very high	98.2	Very high	31 Å²	31	48 Å²	48	32%	0.32	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.2	-152.1	-174.9	0	0	0	0	0	113.6	R292	R292-G296 VanDerWaalsContact CD-O 3.26Å; R292-G296 WeakPolarHBondContact CD-O 3.4Å; R292-G296 PolarHBondContact O-N 2.98Å; R292-G296 VanDerWaalsContact O-N 3.09Å
297	K	94.7	Very high	98.2	Very high	172 Å²	172	47.4 Å²	47.4	75%	0.748	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-107.3	2.1	-168.6	-66.1	-176.9	175	178.8	0	114.6	R332	K297-R332 WeakPolarHBondContact O-CD 3.34Å; K297-R332 PolarHBondContact O-NE 2.9Å; K297-R332 PolarHBondContact O-NH1 3.02Å
298	T	93.7	Very high	98.2	Very high	121 Å²	121	47.4 Å²	47.4	74%	0.742	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.3	-52.3	-174.6	-57	0	0	0	0	112.4	R332	T298-R332 PolarHBondContact O-NE 2.99Å
299	V	98.4	Very high	98.2	Very high	10 Å²	10	47.4 Å²	47.4	6%	0.061	25%	0.246	C	C	.	.	S	Bend	trans	-75.3	150.8	-176.3	-59.9	0	0	0	0	112	S273 V280 R292 V295	S273-V299 WeakPolarHBondContact O-CG1 3.36Å; V280-V299 HydrophobicContact CG2-CG2 4.15Å; R292-V299 PolarHBondContact NH1-O 3.02Å; V295-V299 HydrophobicContact CB-CG2 3.62Å; V295-V299 HydrophobicContact CG1-CG2 4.44Å; V295-V299 HydrophobicContact CG2-CG2 3.65Å
300	T	98.9	Very high	98.2	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.006	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	139.1	168.2	-77.3	0	0	0	0	110	A22 E278 V279 V280 R332 I334	A22-T300 WeakPolarHBondContact O-CB 3.27Å; A22-T300 WeakPolarHBondContact O-CG2 3.48Å; A22-T300 PolarHBondContact O-OG1 3.1Å; E278-T300 PolarHBondContact O-N 2.92Å; V279-T300 CarbonylContact C-O 3.57Å; V279-T300 VanDerWaalsContact CA-O 3.24Å; V279-T300 WeakPolarHBondContact CA-O 3.36Å; V279-T300 HydrophobicContact CG1-CG2 4.15Å; V279-T300 HydrophobicContact CG2-CG2 4.1Å; V280-T300 PolarHBondContact N-O 3.36Å; T300-R332 WeakPolarHBondContact CA-O 3.43Å; T300-R332 WeakPolarHBondContact OG1-CA 3.23Å; T300-I334 HydrophobicContact CG2-CD1 3.88Å; T300-I334 HydrophobicContact CG2-CG1 3.86Å
301	L	98.9	Very high	98.2	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	144.5	171.8	-70.5	177.4	0	0	0	109.8	V280 L282 A291 R292 V295 F328 R332 Y333 I334	V280-L301 HydrophobicContact CB-CD2 4.21Å; V280-L301 WeakPolarHBondContact O-CA 3.48Å; L282-L301 HydrophobicContact CD1-CB 4.35Å; L282-L301 HydrophobicContact CD1-CD1 4.14Å; L282-L301 HydrophobicContact CD1-CD2 3.89Å; L282-L301 HydrophobicContact CD1-CG 4.35Å; L282-L301 HydrophobicContact CD2-CD2 4.28Å; L282-L301 HydrophobicContact CG-CD2 4.17Å; A291-L301 HydrophobicContact CB-CD1 4.07Å; R292-L301 HydrophobicContact CB-CD1 4.27Å; V295-L301 HydrophobicContact CB-CD2 4.46Å; V295-L301 HydrophobicContact CG1-CD2 4.07Å; V295-L301 HydrophobicContact CG2-CD1 4.17Å; V295-L301 HydrophobicContact CG2-CD2 3.7Å; V295-L301 HydrophobicContact CG2-CG 4.04Å; L301-F328 HydrophobicContact CB-CD1 4.19Å; L301-F328 HydrophobicContact CB-CE1 3.85Å; L301-F328 HydrophobicContact CD1-CD1 4.12Å; L301-F328 HydrophobicContact CD1-CE1 3.85Å; L301-F328 HydrophobicContact CG-CE1 4.48Å; L301-R332 PolarHBondContact N-O 2.84Å; L301-Y333 WeakPolarHBondContact O-CA 3.25Å; L301-Y333 WeakPolarHBondContact O-CD2 3.33Å; L301-I334 PolarHBondContact O-N 3.28Å
302	Q	98.9	Very high	98.2	Very high	2 Å²	2	41.4 Å²	41.4	1%	0.009	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	138.2	173.1	179	-177.8	-89	0	0	111.1	V279 V280 G281 L282 I334 N336	V279-Q302 HydrophobicContact CG1-CB 3.62Å; V280-Q302 PolarHBondContact O-N 3.47Å; G281-Q302 CarbonylContact C-O 3.53Å; G281-Q302 WeakPolarHBondContact CA-O 3.5Å; L282-Q302 PolarHBondContact N-O 3.04Å; Q302-I334 VanDerWaalsContact CA-O 3.24Å; Q302-I334 WeakPolarHBondContact CA-O 3.26Å; Q302-I334 HydrophobicContact CB-CB 4.3Å; Q302-I334 HydrophobicContact CG-CB 4.22Å; Q302-I334 HydrophobicContact CG-CG2 4.19Å; Q302-N336 HydrophobicContact CG-CB 3.88Å
303	G	98.8	Very high	98.2	Very high	1 Å²	1	41.4 Å²	41.4	1%	0.01	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	127.9	-153.7	179.6	0	0	0	0	0	112.1	Y333 I334 N336	G303-Y333 WeakPolarHBondContact O-CE2 3.28Å; G303-Y333 VanDerWaalsContact O-CZ 3.23Å; G303-Y333 PolarHBondContact O-OH 3.39Å; G303-I334 PolarHBondContact N-O 2.71Å; G303-I334 VanDerWaalsContact N-O 3.11Å; G303-N336 CarbonylContact C-O 3.57Å; G303-N336 WeakPolarHBondContact CA-O 3.47Å; G303-N336 PolarHBondContact O-N 3.44Å
304	N	98.8	Very high	98.2	Very high	9 Å²	9	39.3 Å²	39.3	5%	0.048	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	cis	-138.8	31.9	-10.8	72.7	-31.8	0	0	0	112.4	L282 D283 W284 V286 D306 F328 N336	L282-N304 HydrophobicContact CB-CB 3.87Å; L282-N304 WeakPolarHBondContact O-CB 3.21Å; D283-N304 WeakPolarHBondContact O-CB 3.44Å; D283-N304 PolarHBondContact O-ND2 2.81Å; W284-N304 WeakPolarHBondContact CA-O 3.5Å; W284-N304 WeakPolarHBondContact CB-O 3.42Å; V286-N304 PolarHBondContact O-ND2 2.87Å; N304-D306 PolarHBondContact O-N 3.14Å; N304-F328 HydrophobicContact CB-CZ 4.34Å; N304-F328 VanDerWaalsContact OD1-CE2 3.28Å; N304-F328 WeakPolarHBondContact OD1-CE2 3.31Å; N304-F328 WeakPolarHBondContact OD1-CZ 3.44Å; N304-N336 PolarHBondContact N-O 2.88Å
305	L	98.9	Very high	98.2	Very high	15 Å²	15	43.5 Å²	43.5	8%	0.079	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-52.9	133.8	-178.5	-172.9	66.7	0	0	0	110.7	P307 A309 L310 L320 V321 M324 N336 L337 G338 F353	L305-P307 WeakPolarHBondContact O-CD 3.27Å; L305-A309 HydrophobicContact CD1-CB 3.93Å; L305-A309 HydrophobicContact CD2-CB 4.18Å; L305-A309 HydrophobicContact CG-CB 3.93Å; L305-L310 HydrophobicContact CD2-CD2 4.17Å; L305-L320 HydrophobicContact CD1-CB 4.06Å; L305-V321 HydrophobicContact CD2-CG2 4.04Å; L305-M324 HydrophobicContact CB-CE 4.28Å; L305-M324 HydrophobicContact CB-SD 3.68Å; L305-M324 PolarHBondContact N-SD 3.37Å; L305-M324 VanDerWaalsContact N-SD 3.38Å; L305-N336 PolarHBondContact N-O 3.18Å; L305-L337 HydrophobicContact CB-CD2 4.01Å; L305-L337 HydrophobicContact CD2-CD2 4.12Å; L305-L337 HydrophobicContact CG-CD2 4.36Å; L305-L337 CarbonylContact O-C 3.58Å; L305-L337 WeakPolarHBondContact O-CA 3Å; L305-G338 PolarHBondContact O-N 3Å; L305-F353 HydrophobicContact CB-CE2 4.2Å; L305-F353 HydrophobicContact CD2-CD2 3.51Å; L305-F353 HydrophobicContact CD2-CE2 3.62Å
306	D	98.9	Very high	98.3	Very high	53 Å²	53	47.8 Å²	47.8	28%	0.283	25%	0.254	S	S	.	.			trans	-54.4	122.8	171.3	-178.9	-4.1	0	0	0	109	W284 N304 C308 A309	W284-D306 HydrophobicContact CB-CB 3.93Å; W284-D306 HydrophobicContact CD2-CB 4.48Å; W284-D306 HydrophobicContact CG-CB 3.77Å; N304-D306 PolarHBondContact O-N 3.14Å; D306-C308 PolarHBondContact O-N 3.07Å; D306-C308 VanDerWaalsContact O-N 3.15Å; D306-C308 WeakPolarHBondContact OD1-CB 3.3Å; D306-C308 PolarHBondContact OD1-N 3.32Å; D306-A309 HydrophobicContact CB-CB 4.47Å; D306-A309 WeakPolarHBondContact O-CB 3.27Å; D306-A309 PolarHBondContact O-N 3.1Å
307	P	98.8	Very high	98.4	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-52.1	-37	175.3	-24.2	32	0	0	0	112.4	L305 A309 L310 L337 H339 M345	L305-P307 WeakPolarHBondContact O-CD 3.27Å; P307-A309 PolarHBondContact O-N 3.16Å; P307-A309 VanDerWaalsContact O-N 3.17Å; P307-L310 WeakPolarHBondContact O-CB 3.41Å; P307-L310 WeakPolarHBondContact O-CG 3.44Å; P307-L310 PolarHBondContact O-N 2.66Å; P307-L337 HydrophobicContact CB-CD1 4.31Å; P307-L337 HydrophobicContact CG-CB 4.3Å; P307-H339 HydrophobicContact CG-CB 3.92Å; P307-M345 HydrophobicContact CB-CE 3.76Å; P307-M345 WeakPolarHBondContact O-CE 3.49Å
308	C	98.8	Very high	98.6	Very high	49 Å²	49	39.3 Å²	39.3	33%	0.331	22%	0.216	S	C	.	.	G	3₁₀ helix	trans	-64.1	-18.6	178.9	-68.1	0	0	0	0	113.4	D306 L310 Y311	D306-C308 PolarHBondContact O-N 3.07Å; D306-C308 VanDerWaalsContact O-N 3.15Å; D306-C308 WeakPolarHBondContact OD1-CB 3.3Å; D306-C308 PolarHBondContact OD1-N 3.32Å; C308-L310 PolarHBondContact O-N 3.18Å; C308-L310 VanDerWaalsContact O-N 3.15Å; C308-Y311 HydrophobicContact CB-CD2 4.06Å; C308-Y311 HydrophobicContact CB-CE2 4.25Å; C308-Y311 WeakPolarHBondContact O-CB 3.45Å; C308-Y311 VanDerWaalsContact O-CD2 3.28Å; C308-Y311 WeakPolarHBondContact O-CD2 3.49Å; C308-Y311 PolarHBondContact O-N 2.95Å
309	A	98.8	Very high	98.8	Very high	14 Å²	14	39 Å²	39	12%	0.116	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-58.5	-24.7	172.2	0	0	0	0	0	112	L305 D306 P307 Y311 A312 L320	L305-A309 HydrophobicContact CD1-CB 3.93Å; L305-A309 HydrophobicContact CD2-CB 4.18Å; L305-A309 HydrophobicContact CG-CB 3.93Å; D306-A309 HydrophobicContact CB-CB 4.47Å; D306-A309 WeakPolarHBondContact O-CB 3.27Å; D306-A309 PolarHBondContact O-N 3.1Å; P307-A309 PolarHBondContact O-N 3.16Å; P307-A309 VanDerWaalsContact O-N 3.17Å; A309-Y311 PolarHBondContact O-N 3.34Å; A309-A312 WeakPolarHBondContact O-CB 3.3Å; A309-A312 PolarHBondContact O-N 3.48Å; A309-A312 VanDerWaalsContact O-N 3.09Å; A309-L320 HydrophobicContact CB-CD1 3.81Å
310	L	98.8	Very high	98.8	Very high	1 Å²	1	42.3 Å²	42.3	1%	0.005	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-74.5	-1.7	177.2	-55.1	-170.6	0	0	0	114	L305 P307 C308 A312 I317 L337 L341 M345 H349 V350 F353	L305-L310 HydrophobicContact CD2-CD2 4.17Å; P307-L310 WeakPolarHBondContact O-CB 3.41Å; P307-L310 WeakPolarHBondContact O-CG 3.44Å; P307-L310 PolarHBondContact O-N 2.66Å; C308-L310 PolarHBondContact O-N 3.18Å; C308-L310 VanDerWaalsContact O-N 3.15Å; L310-A312 VanDerWaalsContact C-N 3.35Å; L310-I317 HydrophobicContact CD2-CD1 4.11Å; L310-I317 HydrophobicContact CD2-CG1 4.27Å; L310-I317 HydrophobicContact CD2-CG2 4.08Å; L310-L337 HydrophobicContact CD1-CD1 4.09Å; L310-L337 HydrophobicContact CD1-CD2 4.2Å; L310-L337 HydrophobicContact CG-CD2 4.42Å; L310-L341 HydrophobicContact CD1-CD2 3.52Å; L310-M345 HydrophobicContact CB-SD 4.45Å; L310-M345 HydrophobicContact CD1-SD 4.39Å; L310-H349 WeakPolarHBondContact O-CB 3.4Å; L310-H349 PolarHBondContact O-ND1 3.45Å; L310-V350 HydrophobicContact CD1-CG2 4.06Å; L310-F353 HydrophobicContact CD2-CB 3.82Å; L310-F353 HydrophobicContact CD2-CD2 4.49Å; L310-F353 HydrophobicContact CD2-CG 4.31Å
311	Y	98.8	Very high	98.8	Very high	102 Å²	102	42.2 Å²	42.2	40%	0.4	22%	0.222	S	C	.	.	G	3₁₀ helix	trans	-84.7	-11.9	166.5	-61.7	-59.9	0	0	0	113	C308 A309 Y342 D344 M345	C308-Y311 HydrophobicContact CB-CD2 4.06Å; C308-Y311 HydrophobicContact CB-CE2 4.25Å; C308-Y311 WeakPolarHBondContact O-CB 3.45Å; C308-Y311 VanDerWaalsContact O-CD2 3.28Å; C308-Y311 WeakPolarHBondContact O-CD2 3.49Å; C308-Y311 PolarHBondContact O-N 2.95Å; A309-Y311 PolarHBondContact O-N 3.34Å; Y311-Y342 HydrophobicContact CE2-CD2 4.46Å; Y311-D344 PolarHBondContact OH-OD1 3.07Å; Y311-D344 PolarHBondContact OH-OD2 3.22Å; Y311-M345 HydrophobicContact CE1-CG 3.82Å; Y311-M345 HydrophobicContact CE2-CE 4.04Å
312	A	98.8	Very high	98.8	Very high	25 Å²	25	46.7 Å²	46.7	21%	0.207	24%	0.242	C	C	.	.	S	Bend	trans	-70.6	171.3	174.2	0	0	0	0	0	111	A309 L310 E316 I317 H349	A309-A312 WeakPolarHBondContact O-CB 3.3Å; A309-A312 PolarHBondContact O-N 3.48Å; A309-A312 VanDerWaalsContact O-N 3.09Å; L310-A312 VanDerWaalsContact C-N 3.35Å; A312-E316 HydrophobicContact CB-CB 3.78Å; A312-I317 HydrophobicContact CB-CG1 4.41Å; A312-H349 PolarHBondContact O-CE1 3.4Å; A312-H349 PolarHBondContact O-ND1 3.37Å
313	S	98.8	Very high	98.8	Very high	51 Å²	51	51.4 Å²	51.4	36%	0.357	26%	0.264	S	S	.	.			trans	-64.5	155.6	171.4	62.7	0	0	0	0	111.5	E315 E316 I317	S313-E315 PolarHBondContact O-N 3.46Å; S313-E315 VanDerWaalsContact O-N 3.17Å; S313-E316 WeakPolarHBondContact CB-OE2 3.39Å; S313-E316 PolarHBondContact N-OE2 3.26Å; S313-E316 PolarHBondContact O-N 2.94Å; S313-E316 VanDerWaalsContact OG-CG 3.26Å; S313-E316 WeakPolarHBondContact OG-CG 3.29Å; S313-E316 PolarHBondContact OG-N 3.12Å; S313-E316 PolarHBondContact OG-OE2 2.95Å; S313-I317 WeakPolarHBondContact O-CG1 3.37Å; S313-I317 PolarHBondContact O-N 3.27Å
314	E	98.8	Very high	98.8	Very high	106 Å²	106	51.9 Å²	51.9	50%	0.495	27%	0.266	S	S	.	.	H	α-helix	trans	-54.8	-35.2	176.7	-63.6	-176.4	-168.2	0	0	113.1	I317 G318 A352	E314-I317 PolarHBondContact O-N 3.35Å; E314-G318 PolarHBondContact O-N 3.45Å; E314-A352 HydrophobicContact CB-CB 3.89Å; E314-A352 HydrophobicContact CG-CB 3.76Å
315	E	98.7	Very high	98.8	Very high	145 Å²	145	51.5 Å²	51.5	68%	0.678	26%	0.264	S	S	*	.	H	α-helix	trans	-64	-47.4	175.6	-175.3	179.6	175.8	0	0	111.5	S313 G318 Q319	S313-E315 PolarHBondContact O-N 3.46Å; S313-E315 VanDerWaalsContact O-N 3.17Å; E315-G318 PolarHBondContact O-N 3.07Å; E315-Q319 WeakPolarHBondContact O-CG 3.28Å; E315-Q319 PolarHBondContact O-N 3.15Å
316	E	98.9	Very high	98.8	Very high	95 Å²	95	53.2 Å²	53.2	44%	0.444	27%	0.273	S	S	.	.	H	α-helix	trans	-65	-39	177.4	-71.6	163.9	146.3	0	0	111.4	A312 S313 G318 Q319 L320	A312-E316 HydrophobicContact CB-CB 3.78Å; S313-E316 WeakPolarHBondContact CB-OE2 3.39Å; S313-E316 PolarHBondContact N-OE2 3.26Å; S313-E316 PolarHBondContact O-N 2.94Å; S313-E316 VanDerWaalsContact OG-CG 3.26Å; S313-E316 WeakPolarHBondContact OG-CG 3.29Å; S313-E316 PolarHBondContact OG-N 3.12Å; S313-E316 PolarHBondContact OG-OE2 2.95Å; E316-G318 VanDerWaalsContact C-N 3.29Å; E316-G318 PolarHBondContact O-N 2.83Å; E316-Q319 PolarHBondContact O-N 3.34Å; E316-Q319 VanDerWaalsContact O-N 3.17Å; E316-L320 VanDerWaalsContact O-CG 3.28Å; E316-L320 WeakPolarHBondContact O-CG 3.27Å; E316-L320 PolarHBondContact O-N 2.72Å
317	I	98.9	Very high	98.8	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-56.2	-47.2	171.9	-68.2	167.6	0	0	0	109.6	L310 A312 S313 E314 Q319 L320 V321 H349 A352 F353	L310-I317 HydrophobicContact CD2-CD1 4.11Å; L310-I317 HydrophobicContact CD2-CG1 4.27Å; L310-I317 HydrophobicContact CD2-CG2 4.08Å; A312-I317 HydrophobicContact CB-CG1 4.41Å; S313-I317 WeakPolarHBondContact O-CG1 3.37Å; S313-I317 PolarHBondContact O-N 3.27Å; E314-I317 PolarHBondContact O-N 3.35Å; I317-Q319 VanDerWaalsContact C-N 3.34Å; I317-Q319 PolarHBondContact O-N 2.62Å; I317-L320 PolarHBondContact O-N 3.48Å; I317-V321 HydrophobicContact CG2-CG2 4.29Å; I317-V321 WeakPolarHBondContact O-CB 3.31Å; I317-V321 VanDerWaalsContact O-CG2 3.23Å; I317-V321 WeakPolarHBondContact O-CG2 3.26Å; I317-V321 PolarHBondContact O-N 2.61Å; I317-H349 HydrophobicContact CD1-CB 3.64Å; I317-A352 HydrophobicContact CG2-CB 4.44Å; I317-F353 HydrophobicContact CG2-CB 4.11Å
318	G	98.8	Very high	98.8	Very high	25 Å²	25	53.2 Å²	53.2	26%	0.258	27%	0.272	S	S	.	.	H	α-helix	trans	-58.8	-41.7	176.5	0	0	0	0	0	113.4	E314 E315 E316 K322	E314-G318 PolarHBondContact O-N 3.45Å; E315-G318 PolarHBondContact O-N 3.07Å; E316-G318 VanDerWaalsContact C-N 3.29Å; E316-G318 PolarHBondContact O-N 2.83Å; G318-K322 WeakPolarHBondContact O-CB 3.41Å; G318-K322 PolarHBondContact O-N 3.45Å
319	Q	98.8	Very high	98.8	Very high	114 Å²	114	51.7 Å²	51.7	53%	0.533	27%	0.265	S	S	.	.	H	α-helix	trans	-67.2	-43	177.9	-66.8	174	12.8	0	0	112.3	E315 E316 I317 K322 Q323	E315-Q319 WeakPolarHBondContact O-CG 3.28Å; E315-Q319 PolarHBondContact O-N 3.15Å; E316-Q319 PolarHBondContact O-N 3.34Å; E316-Q319 VanDerWaalsContact O-N 3.17Å; I317-Q319 VanDerWaalsContact C-N 3.34Å; I317-Q319 PolarHBondContact O-N 2.62Å; Q319-K322 WeakPolarHBondContact O-CB 3.25Å; Q319-K322 PolarHBondContact O-N 2.98Å; Q319-Q323 PolarHBondContact O-N 2.99Å; Q319-Q323 VanDerWaalsContact O-N 3.07Å
320	L	98.9	Very high	98.7	Very high	80 Å²	80	53.2 Å²	53.2	42%	0.419	27%	0.274	S	S	.	.	H	α-helix	trans	-65.8	-42	177.5	-67.6	171	0	0	0	111.5	L305 A309 E316 I317 Q323 M324	L305-L320 HydrophobicContact CD1-CB 4.06Å; A309-L320 HydrophobicContact CB-CD1 3.81Å; E316-L320 VanDerWaalsContact O-CG 3.28Å; E316-L320 WeakPolarHBondContact O-CG 3.27Å; E316-L320 PolarHBondContact O-N 2.72Å; I317-L320 PolarHBondContact O-N 3.48Å; L320-Q323 PolarHBondContact O-N 2.98Å; L320-M324 WeakPolarHBondContact O-CB 3.21Å; L320-M324 PolarHBondContact O-N 2.91Å
321	V	98.9	Very high	98.4	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-62.6	-43.8	174.8	169.5	0	0	0	0	111.1	L305 I317 Q323 M324 L325 F353 A356 V357	L305-V321 HydrophobicContact CD2-CG2 4.04Å; I317-V321 HydrophobicContact CG2-CG2 4.29Å; I317-V321 WeakPolarHBondContact O-CB 3.31Å; I317-V321 VanDerWaalsContact O-CG2 3.23Å; I317-V321 WeakPolarHBondContact O-CG2 3.26Å; I317-V321 PolarHBondContact O-N 2.61Å; V321-Q323 PolarHBondContact O-N 3.22Å; V321-M324 PolarHBondContact O-N 3.41Å; V321-L325 HydrophobicContact CG1-CD1 4.01Å; V321-L325 WeakPolarHBondContact O-CD1 3.24Å; V321-L325 PolarHBondContact O-N 3.15Å; V321-F353 HydrophobicContact CG2-CD2 3.51Å; V321-F353 HydrophobicContact CG2-CE2 3.94Å; V321-A356 HydrophobicContact CB-CB 3.93Å; V321-A356 HydrophobicContact CG1-CB 3.79Å; V321-A356 HydrophobicContact CG2-CB 4.2Å; V321-V357 HydrophobicContact CG1-CB 4.35Å; V321-V357 HydrophobicContact CG1-CG2 3.61Å
322	K	98.9	Very high	98.4	Very high	94 Å²	94	56.9 Å²	56.9	41%	0.409	29%	0.291	S	S	.	.	H	α-helix	trans	-54.4	-52.2	174.7	166.3	171.9	-166.8	-45.8	0	111.1	G318 Q319 M324 L325 D326	G318-K322 WeakPolarHBondContact O-CB 3.41Å; G318-K322 PolarHBondContact O-N 3.45Å; Q319-K322 WeakPolarHBondContact O-CB 3.25Å; Q319-K322 PolarHBondContact O-N 2.98Å; K322-M324 VanDerWaalsContact C-N 3.35Å; K322-M324 PolarHBondContact O-N 3.13Å; K322-L325 PolarHBondContact O-N 3.08Å; K322-D326 IonicContact NZ-OD2 2.71Å; K322-D326 PolarHBondContact NZ-OD2 3.25Å; K322-D326 PolarHBondContact O-N 3.44Å
323	Q	98.9	Very high	98.4	Very high	100 Å²	100	55.8 Å²	55.8	47%	0.467	28%	0.282	S	S	.	.	H	α-helix	trans	-61.5	-43.3	-179.6	-177.5	57.5	54.9	0	0	111.8	Q319 L320 V321 L325 D326 D327	Q319-Q323 PolarHBondContact O-N 2.99Å; Q319-Q323 VanDerWaalsContact O-N 3.07Å; L320-Q323 PolarHBondContact O-N 2.98Å; V321-Q323 PolarHBondContact O-N 3.22Å; Q323-L325 PolarHBondContact O-N 2.91Å; Q323-D326 PolarHBondContact O-N 2.8Å; Q323-D327 PolarHBondContact NE2-OD1 3.27Å; Q323-D327 PolarHBondContact NE2-OD2 3.24Å; Q323-D327 PolarHBondContact O-N 3Å
324	M	98.9	Very high	98.4	Very high	11 Å²	11	53.4 Å²	53.4	5%	0.054	27%	0.265	C	S	.	.	H	α-helix	trans	-57.5	-49.4	176.1	176.7	-177.5	68.5	0	0	111.6	L305 L320 V321 K322 D326 D327 F328 Y333 F353	L305-M324 HydrophobicContact CB-CE 4.28Å; L305-M324 HydrophobicContact CB-SD 3.68Å; L305-M324 PolarHBondContact N-SD 3.37Å; L305-M324 VanDerWaalsContact N-SD 3.38Å; L320-M324 WeakPolarHBondContact O-CB 3.21Å; L320-M324 PolarHBondContact O-N 2.91Å; V321-M324 PolarHBondContact O-N 3.41Å; K322-M324 VanDerWaalsContact C-N 3.35Å; K322-M324 PolarHBondContact O-N 3.13Å; M324-D326 PolarHBondContact O-N 3.46Å; M324-D327 PolarHBondContact O-N 3.45Å; M324-F328 HydrophobicContact CG-CD2 3.78Å; M324-F328 HydrophobicContact CG-CE2 3.79Å; M324-F328 VanDerWaalsContact O-CD2 3.3Å; M324-F328 WeakPolarHBondContact O-CD2 3.3Å; M324-F328 PolarHBondContact O-N 2.86Å; M324-F328 HydrophobicContact SD-CE2 4.46Å; M324-Y333 VanDerWaalsContact CE-OH 3.31Å; M324-Y333 WeakPolarHBondContact CE-OH 3.4Å; M324-Y333 PolarHBondContact SD-OH 3.11Å; M324-F353 HydrophobicContact CE-CE2 4.1Å
325	L	98.9	Very high	98.4	Very high	1 Å²	1	48.3 Å²	48.3	1%	0.005	24%	0.241	C	C	.	.	H	α-helix	trans	-64.2	-38.8	179.2	-95.2	60	0	0	0	112.2	V321 K322 Q323 D327 F328 G329 Y333 V357 H360	V321-L325 HydrophobicContact CG1-CD1 4.01Å; V321-L325 WeakPolarHBondContact O-CD1 3.24Å; V321-L325 PolarHBondContact O-N 3.15Å; K322-L325 PolarHBondContact O-N 3.08Å; Q323-L325 PolarHBondContact O-N 2.91Å; L325-D327 VanDerWaalsContact C-N 3.28Å; L325-D327 PolarHBondContact O-N 3.38Å; L325-F328 PolarHBondContact O-N 3.14Å; L325-G329 PolarHBondContact O-N 3.48Å; L325-Y333 HydrophobicContact CD1-CE1 3.89Å; L325-Y333 HydrophobicContact CG-CE1 4.18Å; L325-V357 HydrophobicContact CD1-CG2 4.3Å; L325-V357 HydrophobicContact CD2-CG1 4.39Å; L325-H360 HydrophobicContact CD2-CB 4.1Å
326	D	98.7	Very high	98.4	Very high	51 Å²	51	41.4 Å²	41.4	27%	0.273	21%	0.209	S	C	.	.	H	α-helix	trans	-63	-36.2	175.7	-68.7	-17.6	0	0	0	111.5	K322 Q323 M324 H360	K322-D326 IonicContact NZ-OD2 2.71Å; K322-D326 PolarHBondContact NZ-OD2 3.25Å; K322-D326 PolarHBondContact O-N 3.44Å; Q323-D326 PolarHBondContact O-N 2.8Å; M324-D326 PolarHBondContact O-N 3.46Å; D326-H360 IonicContact OD1-CD2 3.71Å; D326-H360 IonicContact OD1-CE1 2.83Å; D326-H360 IonicContact OD1-NE2 2.69Å; D326-H360 PolarHBondContact OD1-NE2 3.23Å; D326-H360 IonicContact OD2-NE2 3.72Å
327	D	98.7	Very high	98.4	Very high	38 Å²	38	36.9 Å²	36.9	20%	0.203	19%	0.188	C	C	.	.	H	α-helix	trans	-77.5	-33.2	179.4	-74.4	-32.9	0	0	0	113.8	P288 K289 Q323 M324 L325	P288-D327 HydrophobicContact CB-CB 3.87Å; P288-D327 HydrophobicContact CG-CB 3.94Å; K289-D327 WeakPolarHBondContact CE-OD1 3.29Å; K289-D327 HydrophobicContact CG-CB 4.43Å; K289-D327 IonicContact NZ-OD1 3.9Å; K289-D327 PolarHBondContact NZ-OD1 2.96Å; Q323-D327 PolarHBondContact NE2-OD1 3.27Å; Q323-D327 PolarHBondContact NE2-OD2 3.24Å; Q323-D327 PolarHBondContact O-N 3Å; M324-D327 PolarHBondContact O-N 3.45Å; L325-D327 VanDerWaalsContact C-N 3.28Å; L325-D327 PolarHBondContact O-N 3.38Å
328	F	98.8	Very high	98.4	Very high	15 Å²	15	36.9 Å²	36.9	7%	0.066	19%	0.188	C	C	.	.	H	α-helix	trans	-76.6	-35.2	173.7	-84.7	-72.5	0	0	0	113	L282 P288 L301 N304 M324 L325 Y333	L282-F328 HydrophobicContact CD1-CE1 3.85Å; L282-F328 HydrophobicContact CD1-CZ 3.95Å; P288-F328 HydrophobicContact CB-CD1 3.8Å; P288-F328 HydrophobicContact CB-CD2 3.69Å; P288-F328 HydrophobicContact CB-CE1 3.76Å; P288-F328 HydrophobicContact CB-CE2 3.65Å; P288-F328 HydrophobicContact CB-CG 3.76Å; P288-F328 HydrophobicContact CB-CZ 3.67Å; P288-F328 HydrophobicContact CG-CD2 3.78Å; P288-F328 HydrophobicContact CG-CE1 4.37Å; P288-F328 HydrophobicContact CG-CE2 3.45Å; P288-F328 VanDerWaalsContact CG-CE2 3.45Å; P288-F328 HydrophobicContact CG-CG 4.37Å; P288-F328 HydrophobicContact CG-CZ 3.77Å; L301-F328 HydrophobicContact CB-CD1 4.19Å; L301-F328 HydrophobicContact CB-CE1 3.85Å; L301-F328 HydrophobicContact CD1-CD1 4.12Å; L301-F328 HydrophobicContact CD1-CE1 3.85Å; L301-F328 HydrophobicContact CG-CE1 4.48Å; N304-F328 HydrophobicContact CB-CZ 4.34Å; N304-F328 VanDerWaalsContact OD1-CE2 3.28Å; N304-F328 WeakPolarHBondContact OD1-CE2 3.31Å; N304-F328 WeakPolarHBondContact OD1-CZ 3.44Å; M324-F328 HydrophobicContact CG-CD2 3.78Å; M324-F328 HydrophobicContact CG-CE2 3.79Å; M324-F328 VanDerWaalsContact O-CD2 3.3Å; M324-F328 WeakPolarHBondContact O-CD2 3.3Å; M324-F328 PolarHBondContact O-N 2.86Å; M324-F328 HydrophobicContact SD-CE2 4.46Å; L325-F328 PolarHBondContact O-N 3.14Å; F328-Y333 HydrophobicContact CB-CD1 3.74Å; F328-Y333 HydrophobicContact CB-CD2 3.93Å; F328-Y333 HydrophobicContact CB-CE1 3.89Å; F328-Y333 HydrophobicContact CB-CE2 4.09Å; F328-Y333 HydrophobicContact CB-CG 3.78Å; F328-Y333 AromaticContact CD1-CD2 3.56Å; F328-Y333 HydrophobicContact CD1-CD2 3.56Å; F328-Y333 AromaticContact CD1-CE2 3.67Å; F328-Y333 HydrophobicContact CD1-CE2 3.67Å; F328-Y333 HydrophobicContact CD1-CG 4.21Å; F328-Y333 HydrophobicContact CD2-CD2 4.02Å; F328-Y333 AromaticContact CD2-CE1 3.96Å; F328-Y333 HydrophobicContact CD2-CE1 3.96Å; F328-Y333 AromaticContact CD2-CE2 3.36Å; F328-Y333 HydrophobicContact CD2-CE2 3.36Å; F328-Y333 AromaticContact CD2-CZ 3.32Å; F328-Y333 WeakPolarHBondContact CD2-OH 3.5Å; F328-Y333 HydrophobicContact CE1-CD2 4.03Å; F328-Y333 AromaticContact CE1-CE2 3.87Å; F328-Y333 HydrophobicContact CE1-CE2 3.87Å; F328-Y333 HydrophobicContact CE2-CD2 4.44Å; F328-Y333 AromaticContact CE2-CE2 3.57Å; F328-Y333 HydrophobicContact CE2-CE2 3.57Å; F328-Y333 AromaticContact CE2-CZ 3.79Å; F328-Y333 HydrophobicContact CG-CD1 4.17Å; F328-Y333 AromaticContact CG-CD2 3.56Å; F328-Y333 HydrophobicContact CG-CD2 3.56Å; F328-Y333 HydrophobicContact CG-CE1 4.04Å; F328-Y333 AromaticContact CG-CE2 3.42Å; F328-Y333 HydrophobicContact CG-CE2 3.42Å; F328-Y333 VanDerWaalsContact CG-CE2 3.42Å; F328-Y333 AromaticContact CG-CG 3.96Å; F328-Y333 HydrophobicContact CG-CG 3.96Å; F328-Y333 AromaticContact CG-CZ 3.68Å; F328-Y333 HydrophobicContact CZ-CD2 4.45Å; F328-Y333 AromaticContact CZ-CE2 3.83Å; F328-Y333 HydrophobicContact CZ-CE2 3.83Å
329	G	97.9	Very high	98.4	Very high	18 Å²	18	37.5 Å²	37.5	19%	0.186	18%	0.184	C	C	.	.			trans	77.6	173.6	-168.8	0	0	0	0	0	113.5	L325	L325-G329 PolarHBondContact O-N 3.48Å
330	P	96.4	Very high	98.3	Very high	45 Å²	45	32.2 Å²	32.2	29%	0.292	16%	0.159	S	C	.	.	S	Bend	trans	-78.2	-25.1	-170.8	28.8	-34.6	0	0	0	114.4	L364 R365	P330-L364 HydrophobicContact CB-CD2 4.4Å; P330-R365 HydrophobicContact CB-CG 3.97Å; P330-R365 PolarHBondContact O-NH2 2.88Å
331	Q	93.8	Very high	98.3	Very high	97 Å²	97	28.7 Å²	28.7	45%	0.453	14%	0.141	S	C	.	.	S	Bend	trans	-98.5	149.3	-172.5	-67.5	-173.5	-2.8	0	0	113	E27 Y333	E27-Q331 PolarHBondContact OE1-NE2 2.71Å; Q331-Y333 VanDerWaalsContact C-N 3.3Å; Q331-Y333 PolarHBondContact O-N 3.23Å
332	R	98.3	Very high	98.3	Very high	84 Å²	84	32.1 Å²	32.1	32%	0.317	15%	0.154	S	C	.	.	S	Bend	trans	52.5	47.4	175.4	-62	-170	178.5	97.3	-0.8	112.7	R292 K297 T298 T300 L301	R292-R332 PolarHBondContact NH2-O 3.36Å; K297-R332 WeakPolarHBondContact O-CD 3.34Å; K297-R332 PolarHBondContact O-NE 2.9Å; K297-R332 PolarHBondContact O-NH1 3.02Å; T298-R332 PolarHBondContact O-NE 2.99Å; T300-R332 WeakPolarHBondContact CA-O 3.43Å; T300-R332 WeakPolarHBondContact OG1-CA 3.23Å; L301-R332 PolarHBondContact N-O 2.84Å
333	Y	98.9	Very high	98.2	Very high	2 Å²	2	30.2 Å²	30.2	1%	0.008	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	135.6	-176.3	178.2	-128.9	0	0	0	111.9	T31 L301 G303 M324 L325 F328 Q331 A335	T31-Y333 HydrophobicContact CG2-CD1 3.57Å; T31-Y333 HydrophobicContact CG2-CE1 3.78Å; T31-Y333 HydrophobicContact CG2-CG 4.4Å; L301-Y333 WeakPolarHBondContact O-CA 3.25Å; L301-Y333 WeakPolarHBondContact O-CD2 3.33Å; G303-Y333 WeakPolarHBondContact O-CE2 3.28Å; G303-Y333 VanDerWaalsContact O-CZ 3.23Å; G303-Y333 PolarHBondContact O-OH 3.39Å; M324-Y333 VanDerWaalsContact CE-OH 3.31Å; M324-Y333 WeakPolarHBondContact CE-OH 3.4Å; M324-Y333 PolarHBondContact SD-OH 3.11Å; L325-Y333 HydrophobicContact CD1-CE1 3.89Å; L325-Y333 HydrophobicContact CG-CE1 4.18Å; F328-Y333 HydrophobicContact CB-CD1 3.74Å; F328-Y333 HydrophobicContact CB-CD2 3.93Å; F328-Y333 HydrophobicContact CB-CE1 3.89Å; F328-Y333 HydrophobicContact CB-CE2 4.09Å; F328-Y333 HydrophobicContact CB-CG 3.78Å; F328-Y333 AromaticContact CD1-CD2 3.56Å; F328-Y333 HydrophobicContact CD1-CD2 3.56Å; F328-Y333 AromaticContact CD1-CE2 3.67Å; F328-Y333 HydrophobicContact CD1-CE2 3.67Å; F328-Y333 HydrophobicContact CD1-CG 4.21Å; F328-Y333 HydrophobicContact CD2-CD2 4.02Å; F328-Y333 AromaticContact CD2-CE1 3.96Å; F328-Y333 HydrophobicContact CD2-CE1 3.96Å; F328-Y333 AromaticContact CD2-CE2 3.36Å; F328-Y333 HydrophobicContact CD2-CE2 3.36Å; F328-Y333 AromaticContact CD2-CZ 3.32Å; F328-Y333 WeakPolarHBondContact CD2-OH 3.5Å; F328-Y333 HydrophobicContact CE1-CD2 4.03Å; F328-Y333 AromaticContact CE1-CE2 3.87Å; F328-Y333 HydrophobicContact CE1-CE2 3.87Å; F328-Y333 HydrophobicContact CE2-CD2 4.44Å; F328-Y333 AromaticContact CE2-CE2 3.57Å; F328-Y333 HydrophobicContact CE2-CE2 3.57Å; F328-Y333 AromaticContact CE2-CZ 3.79Å; F328-Y333 HydrophobicContact CG-CD1 4.17Å; F328-Y333 AromaticContact CG-CD2 3.56Å; F328-Y333 HydrophobicContact CG-CD2 3.56Å; F328-Y333 HydrophobicContact CG-CE1 4.04Å; F328-Y333 AromaticContact CG-CE2 3.42Å; F328-Y333 HydrophobicContact CG-CE2 3.42Å; F328-Y333 VanDerWaalsContact CG-CE2 3.42Å; F328-Y333 AromaticContact CG-CG 3.96Å; F328-Y333 HydrophobicContact CG-CG 3.96Å; F328-Y333 AromaticContact CG-CZ 3.68Å; F328-Y333 HydrophobicContact CZ-CD2 4.45Å; F328-Y333 AromaticContact CZ-CE2 3.83Å; F328-Y333 HydrophobicContact CZ-CE2 3.83Å; Q331-Y333 VanDerWaalsContact C-N 3.3Å; Q331-Y333 PolarHBondContact O-N 3.23Å; Y333-A335 HydrophobicContact CE1-CB 4.24Å
334	I	98.9	Very high	98.2	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	120.3	171.4	-60.6	168.5	0	0	0	107.1	F19 A22 A23 P32 V279 T300 L301 Q302 G303	F19-I334 HydrophobicContact CD2-CD1 4Å; F19-I334 HydrophobicContact CD2-CG2 3.93Å; F19-I334 HydrophobicContact CE2-CD1 3.8Å; F19-I334 HydrophobicContact CE2-CG2 4Å; A22-I334 HydrophobicContact CB-CD1 4.41Å; A22-I334 HydrophobicContact CB-CG1 3.82Å; A23-I334 HydrophobicContact CB-CD1 3.95Å; P32-I334 HydrophobicContact CG-CG1 4.09Å; P32-I334 HydrophobicContact CG-CG2 4.38Å; V279-I334 HydrophobicContact CG2-CD1 4.3Å; T300-I334 HydrophobicContact CG2-CD1 3.88Å; T300-I334 HydrophobicContact CG2-CG1 3.86Å; L301-I334 PolarHBondContact O-N 3.28Å; Q302-I334 VanDerWaalsContact CA-O 3.24Å; Q302-I334 WeakPolarHBondContact CA-O 3.26Å; Q302-I334 HydrophobicContact CB-CB 4.3Å; Q302-I334 HydrophobicContact CG-CB 4.22Å; Q302-I334 HydrophobicContact CG-CG2 4.19Å; G303-I334 PolarHBondContact N-O 2.71Å; G303-I334 VanDerWaalsContact N-O 3.11Å
335	A	98.9	Very high	98.2	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	137.5	178.1	0	0	0	0	0	110.6	T31 P32 V33 W34 Y333 V357	T31-A335 HydrophobicContact CG2-CB 3.98Å; P32-A335 PolarHBondContact O-N 2.78Å; V33-A335 WeakPolarHBondContact CA-O 3.36Å; V33-A335 HydrophobicContact CB-CB 4.05Å; V33-A335 HydrophobicContact CG2-CB 3.97Å; W34-A335 PolarHBondContact N-O 3.18Å; Y333-A335 HydrophobicContact CE1-CB 4.24Å; A335-V357 HydrophobicContact CB-CB 4.39Å; A335-V357 HydrophobicContact CB-CG1 3.65Å; A335-V357 HydrophobicContact CB-CG2 3.81Å
336	N	98.9	Very high	98.2	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	173.1	170.3	-155.4	-47.3	0	0	0	108	W34 C35 M36 Q302 G303 N304 L305	W34-N336 VanDerWaalsContact CZ2-ND2 3.32Å; W34-N336 WeakPolarHBondContact CZ2-ND2 3.39Å; W34-N336 PolarHBondContact NE1-ND2 2.98Å; W34-N336 WeakPolarHBondContact O-CA 3.32Å; W34-N336 PolarHBondContact O-ND2 2.91Å; W34-N336 VanDerWaalsContact O-ND2 3.15Å; W34-N336 PolarHBondContact O-OD1 2.77Å; C35-N336 WeakPolarHBondContact CA-OD1 3.27Å; M36-N336 PolarHBondContact N-OD1 3.05Å; Q302-N336 HydrophobicContact CG-CB 3.88Å; G303-N336 CarbonylContact C-O 3.57Å; G303-N336 WeakPolarHBondContact CA-O 3.47Å; G303-N336 PolarHBondContact O-N 3.44Å; N304-N336 PolarHBondContact N-O 2.88Å; L305-N336 PolarHBondContact N-O 3.18Å
337	L	98.9	Very high	98.2	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	161.3	162.5	-58	-179.6	0	0	0	110.5	M36 L305 P307 L310 H339 L341 F353	M36-L337 WeakPolarHBondContact CE-O 3.25Å; L305-L337 HydrophobicContact CB-CD2 4.01Å; L305-L337 HydrophobicContact CD2-CD2 4.12Å; L305-L337 HydrophobicContact CG-CD2 4.36Å; L305-L337 CarbonylContact O-C 3.58Å; L305-L337 WeakPolarHBondContact O-CA 3Å; P307-L337 HydrophobicContact CB-CD1 4.31Å; P307-L337 HydrophobicContact CG-CB 4.3Å; L310-L337 HydrophobicContact CD1-CD1 4.09Å; L310-L337 HydrophobicContact CD1-CD2 4.2Å; L310-L337 HydrophobicContact CG-CD2 4.42Å; L337-H339 VanDerWaalsContact C-N 3.25Å; L337-H339 WeakPolarHBondContact CB-O 3.35Å; L337-H339 PolarHBondContact O-N 3.29Å; L337-L341 HydrophobicContact CD1-CD2 3.43Å; L337-L341 VanDerWaalsContact CD1-CD2 3.43Å; L337-L341 HydrophobicContact CD1-CG 3.75Å; L337-F353 HydrophobicContact CD2-CD2 4.5Å; L337-F353 HydrophobicContact CD2-CE1 4.32Å; L337-F353 HydrophobicContact CD2-CE2 4.23Å; L337-F353 HydrophobicContact CD2-CZ 4.14Å
338	G	98.6	Very high	98.2	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.182	C	C	.	.	S	Bend	trans	-76.7	-11.2	173.4	0	0	0	0	0	113.6	F261 L282 D283 L305	F261-G338 WeakPolarHBondContact CZ-O 3.43Å; L282-G338 WeakPolarHBondContact O-CA 3.3Å; D283-G338 WeakPolarHBondContact CA-O 3.47Å; L305-G338 PolarHBondContact O-N 3Å
339	H	98.6	Very high	98.2	Very high	38 Å²	38	36.9 Å²	36.9	18%	0.176	19%	0.187	C	C	.	.	S	Bend	trans	-159.2	178	171.5	-162.3	-98.9	0	0	0	110.4	M36 K263 W284 P307 L337	M36-H339 VanDerWaalsContact CE-CA 3.49Å; K263-H339 VanDerWaalsContact CD-CD2 3.5Å; K263-H339 WeakPolarHBondContact CD-CD2 3.42Å; W284-H339 HydrophobicContact CE3-CB 4.3Å; W284-H339 HydrophobicContact CZ3-CB 3.77Å; P307-H339 HydrophobicContact CG-CB 3.92Å; L337-H339 VanDerWaalsContact C-N 3.25Å; L337-H339 WeakPolarHBondContact CB-O 3.35Å; L337-H339 PolarHBondContact O-N 3.29Å
340	G	97.8	Very high	98.2	Very high	2 Å²	2	36 Å²	36	2%	0.021	18%	0.179	C	C	.	.	P	Polyproline II helix	trans	-68.5	145.5	179.8	0	0	0	0	0	114.2	M36	M36-G340 VanDerWaalsContact O-CA 3.28Å; M36-G340 WeakPolarHBondContact O-CA 3.33Å
341	L	98.7	Very high	98.3	Very high	6 Å²	6	34.3 Å²	34.3	3%	0.031	17%	0.17	C	C	.	.	P	Polyproline II helix	trans	-49.6	142.8	172.9	-71.4	165.8	0	0	0	112.6	C35 M36 R37 Y42 L310 L337 M345 V350	C35-L341 HydrophobicContact CB-CD1 4.07Å; M36-L341 PolarHBondContact O-N 3.4Å; R37-L341 HydrophobicContact CB-CB 4.44Å; Y42-L341 HydrophobicContact CD1-CB 4.27Å; Y42-L341 HydrophobicContact CD1-CD1 3.98Å; Y42-L341 HydrophobicContact CE1-CB 4.49Å; Y42-L341 HydrophobicContact CE1-CD1 3.43Å; Y42-L341 VanDerWaalsContact CE1-CD1 3.43Å; Y42-L341 HydrophobicContact CE2-CD1 4.3Å; L310-L341 HydrophobicContact CD1-CD2 3.52Å; L337-L341 HydrophobicContact CD1-CD2 3.43Å; L337-L341 VanDerWaalsContact CD1-CD2 3.43Å; L337-L341 HydrophobicContact CD1-CG 3.75Å; L341-M345 HydrophobicContact CB-SD 4.19Å; L341-M345 HydrophobicContact CD2-SD 3.48Å; L341-M345 WeakPolarHBondContact CD2-SD 3.38Å; L341-M345 HydrophobicContact CG-SD 4.46Å; L341-V350 HydrophobicContact CD1-CG1 4.34Å; L341-V350 HydrophobicContact CD1-CG2 4.1Å; L341-V350 HydrophobicContact CD2-CG2 3.78Å
342	Y	98.3	Very high	98.6	Very high	72 Å²	72	30.4 Å²	30.4	28%	0.282	15%	0.154	S	C	.	.	P	Polyproline II helix	trans	-90.3	153.9	175.8	-61.1	-24.2	0	0	0	112.2	Y311 D344 M345	Y311-Y342 HydrophobicContact CE2-CD2 4.46Å; Y342-D344 PolarHBondContact O-N 3.05Å; Y342-M345 HydrophobicContact CD2-CE 3.7Å; Y342-M345 HydrophobicContact CE2-CE 4.46Å; Y342-M345 HydrophobicContact CG-CE 3.92Å; Y342-M345 PolarHBondContact N-SD 3.35Å; Y342-M345 PolarHBondContact O-N 3.2Å
343	P	97.3	Very high	98.6	Very high	55 Å²	55	26.4 Å²	26.4	36%	0.357	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-20.3	-171.2	-25.9	38.1	0	0	0	116.2	R41 Y42	R41-P343 HydrophobicContact CB-CB 3.78Å; R41-P343 HydrophobicContact CB-CG 4.34Å; Y42-P343 WeakPolarHBondContact CA-O 3.28Å
344	D	98.1	Very high	98.6	Very high	111 Å²	111	26.3 Å²	26.3	59%	0.594	14%	0.138	S	C	*	.	T	Hydrogen-bonded Turn	trans	-104.8	5.6	-173	63.4	-34.2	0	0	0	113.2	Y311 Y342	Y311-D344 PolarHBondContact OH-OD1 3.07Å; Y311-D344 PolarHBondContact OH-OD2 3.22Å; Y342-D344 PolarHBondContact O-N 3.05Å
345	M	98.6	Very high	98.6	Very high	5 Å²	5	30.8 Å²	30.8	3%	0.025	16%	0.162	C	C	.	.			trans	-70.9	149	174.6	-69.9	175.1	171.7	0	0	111.6	P307 L310 Y311 L341 Y342	P307-M345 HydrophobicContact CB-CE 3.76Å; P307-M345 WeakPolarHBondContact O-CE 3.49Å; L310-M345 HydrophobicContact CB-SD 4.45Å; L310-M345 HydrophobicContact CD1-SD 4.39Å; Y311-M345 HydrophobicContact CE1-CG 3.82Å; Y311-M345 HydrophobicContact CE2-CE 4.04Å; L341-M345 HydrophobicContact CB-SD 4.19Å; L341-M345 HydrophobicContact CD2-SD 3.48Å; L341-M345 WeakPolarHBondContact CD2-SD 3.38Å; L341-M345 HydrophobicContact CG-SD 4.46Å; Y342-M345 HydrophobicContact CD2-CE 3.7Å; Y342-M345 HydrophobicContact CE2-CE 4.46Å; Y342-M345 HydrophobicContact CG-CE 3.92Å; Y342-M345 PolarHBondContact N-SD 3.35Å; Y342-M345 PolarHBondContact O-N 3.2Å
346	D	98.7	Very high	98.6	Very high	77 Å²	77	31.5 Å²	31.5	41%	0.412	17%	0.168	S	C	.	.			trans	-79	126.3	175.9	-164.3	-37.2	0	0	0	110.7	E348 H349 V350	D346-E348 PolarHBondContact O-N 3.44Å; D346-E348 PolarHBondContact OD1-N 2.83Å; D346-H349 HydrophobicContact CB-CB 4.26Å; D346-H349 PolarHBondContact O-N 3.24Å; D346-V350 PolarHBondContact O-N 3.31Å
347	P	98.8	Very high	98.6	Very high	15 Å²	15	31.5 Å²	31.5	10%	0.097	17%	0.168	C	C	.	.	H	α-helix	trans	-53.3	-34.6	171.8	-26.6	35.2	0	0	0	114.6	Y42 L43 F76 H349 V350 G351	Y42-P347 HydrophobicContact CD2-CB 4.3Å; Y42-P347 HydrophobicContact CD2-CG 3.96Å; Y42-P347 HydrophobicContact CE2-CB 4.24Å; Y42-P347 HydrophobicContact CE2-CG 4.35Å; L43-P347 HydrophobicContact CD2-CB 4.16Å; L43-P347 HydrophobicContact CD2-CG 4.16Å; F76-P347 WeakPolarHBondContact CE1-O 3.29Å; F76-P347 HydrophobicContact CZ-CB 4.14Å; F76-P347 WeakPolarHBondContact CZ-O 3.47Å; P347-H349 VanDerWaalsContact C-N 3.35Å; P347-H349 PolarHBondContact O-N 2.9Å; P347-V350 WeakPolarHBondContact O-CB 3.46Å; P347-V350 PolarHBondContact O-N 2.87Å; P347-G351 PolarHBondContact O-N 2.75Å; P347-G351 VanDerWaalsContact O-N 3.1Å
348	E	98.8	Very high	98.6	Very high	108 Å²	108	32.8 Å²	32.8	51%	0.505	17%	0.174	S	C	.	.	H	α-helix	trans	-68.7	-36.1	-179	-60	-53.1	123.2	0	0	111.4	R75 D346 V350 G351 A352	R75-E348 IonicContact NH1-OE1 3.47Å; D346-E348 PolarHBondContact O-N 3.44Å; D346-E348 PolarHBondContact OD1-N 2.83Å; E348-V350 VanDerWaalsContact C-N 3.28Å; E348-V350 PolarHBondContact O-N 3.41Å; E348-G351 CarbonylContact O-C 3.6Å; E348-G351 WeakPolarHBondContact O-CA 3.38Å; E348-G351 PolarHBondContact O-N 3.08Å; E348-A352 PolarHBondContact O-N 2.96Å
349	H	98.8	Very high	98.6	Very high	39 Å²	39	40 Å²	40	18%	0.181	21%	0.206	C	C	.	.	H	α-helix	trans	-67.1	-28.7	173.4	-70.5	-173.3	0	0	0	112.8	L310 A312 I317 D346 P347 G351 A352 F353	L310-H349 WeakPolarHBondContact O-CB 3.4Å; L310-H349 PolarHBondContact O-ND1 3.45Å; A312-H349 PolarHBondContact O-CE1 3.4Å; A312-H349 PolarHBondContact O-ND1 3.37Å; I317-H349 HydrophobicContact CD1-CB 3.64Å; D346-H349 HydrophobicContact CB-CB 4.26Å; D346-H349 PolarHBondContact O-N 3.24Å; P347-H349 VanDerWaalsContact C-N 3.35Å; P347-H349 PolarHBondContact O-N 2.9Å; H349-G351 VanDerWaalsContact C-N 3.34Å; H349-A352 PolarHBondContact O-N 3.29Å; H349-F353 PolarHBondContact O-N 3.24Å; H349-F353 VanDerWaalsContact O-N 3.09Å
350	V	98.9	Very high	98.6	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-67.5	-38.3	169	-178.3	0	0	0	0	110.6	Y42 F76 L310 L341 D346 P347 E348 F353 V354	Y42-V350 HydrophobicContact CD2-CG2 4.13Å; Y42-V350 HydrophobicContact CE2-CB 4.23Å; Y42-V350 HydrophobicContact CE2-CG2 3.68Å; F76-V350 HydrophobicContact CD2-CG1 4.35Å; F76-V350 HydrophobicContact CE1-CB 4.44Å; F76-V350 HydrophobicContact CE2-CB 4.42Å; F76-V350 HydrophobicContact CE2-CG1 4.11Å; F76-V350 HydrophobicContact CZ-CB 4.09Å; F76-V350 HydrophobicContact CZ-CG1 4.25Å; L310-V350 HydrophobicContact CD1-CG2 4.06Å; L341-V350 HydrophobicContact CD1-CG1 4.34Å; L341-V350 HydrophobicContact CD1-CG2 4.1Å; L341-V350 HydrophobicContact CD2-CG2 3.78Å; D346-V350 PolarHBondContact O-N 3.31Å; P347-V350 WeakPolarHBondContact O-CB 3.46Å; P347-V350 PolarHBondContact O-N 2.87Å; E348-V350 VanDerWaalsContact C-N 3.28Å; E348-V350 PolarHBondContact O-N 3.41Å; V350-F353 WeakPolarHBondContact O-CB 3.39Å; V350-F353 PolarHBondContact O-N 2.88Å; V350-V354 WeakPolarHBondContact O-CG2 3.27Å; V350-V354 PolarHBondContact O-N 3.42Å; V350-V354 VanDerWaalsContact O-N 3.16Å
351	G	98.8	Very high	98.7	Very high	10 Å²	10	39.4 Å²	39.4	10%	0.103	20%	0.202	C	C	.	.	H	α-helix	trans	-59.8	-48.6	171.1	0	0	0	0	0	112.2	P347 E348 H349 F353 V354 D355	P347-G351 PolarHBondContact O-N 2.75Å; P347-G351 VanDerWaalsContact O-N 3.1Å; E348-G351 CarbonylContact O-C 3.6Å; E348-G351 WeakPolarHBondContact O-CA 3.38Å; E348-G351 PolarHBondContact O-N 3.08Å; H349-G351 VanDerWaalsContact C-N 3.34Å; G351-F353 VanDerWaalsContact C-N 3.27Å; G351-F353 PolarHBondContact O-N 3.32Å; G351-V354 PolarHBondContact O-N 3.02Å; G351-V354 VanDerWaalsContact O-N 3.08Å; G351-D355 PolarHBondContact O-N 2.84Å
352	A	98.9	Very high	98.7	Very high	15 Å²	15	44.3 Å²	44.3	12%	0.124	22%	0.22	C	C	.	.	H	α-helix	trans	-57.2	-39	177.1	0	0	0	0	0	112.6	E314 I317 E348 H349 A356	E314-A352 HydrophobicContact CB-CB 3.89Å; E314-A352 HydrophobicContact CG-CB 3.76Å; I317-A352 HydrophobicContact CG2-CB 4.44Å; E348-A352 PolarHBondContact O-N 2.96Å; H349-A352 PolarHBondContact O-N 3.29Å; A352-A356 WeakPolarHBondContact O-CB 3.38Å; A352-A356 PolarHBondContact O-N 3.08Å
353	F	98.9	Very high	98.7	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-61.3	-49.6	173.3	169	-107.6	0	0	0	112.5	V33 C35 L305 L310 I317 V321 M324 L337 H349 V350 G351 A356 V357	V33-F353 HydrophobicContact CG2-CD1 4.17Å; V33-F353 HydrophobicContact CG2-CE1 3.37Å; V33-F353 HydrophobicContact CG2-CZ 3.82Å; C35-F353 VanDerWaalsContact SG-CE1 3.57Å; L305-F353 HydrophobicContact CB-CE2 4.2Å; L305-F353 HydrophobicContact CD2-CD2 3.51Å; L305-F353 HydrophobicContact CD2-CE2 3.62Å; L310-F353 HydrophobicContact CD2-CB 3.82Å; L310-F353 HydrophobicContact CD2-CD2 4.49Å; L310-F353 HydrophobicContact CD2-CG 4.31Å; I317-F353 HydrophobicContact CG2-CB 4.11Å; V321-F353 HydrophobicContact CG2-CD2 3.51Å; V321-F353 HydrophobicContact CG2-CE2 3.94Å; M324-F353 HydrophobicContact CE-CE2 4.1Å; L337-F353 HydrophobicContact CD2-CD2 4.5Å; L337-F353 HydrophobicContact CD2-CE1 4.32Å; L337-F353 HydrophobicContact CD2-CE2 4.23Å; L337-F353 HydrophobicContact CD2-CZ 4.14Å; H349-F353 PolarHBondContact O-N 3.24Å; H349-F353 VanDerWaalsContact O-N 3.09Å; V350-F353 WeakPolarHBondContact O-CB 3.39Å; V350-F353 PolarHBondContact O-N 2.88Å; G351-F353 VanDerWaalsContact C-N 3.27Å; G351-F353 PolarHBondContact O-N 3.32Å; F353-A356 PolarHBondContact O-N 2.7Å; F353-V357 HydrophobicContact CD2-CG2 4.42Å; F353-V357 HydrophobicContact CE2-CG2 4.01Å; F353-V357 HydrophobicContact CZ-CG2 4.16Å; F353-V357 WeakPolarHBondContact O-CG2 3.31Å; F353-V357 PolarHBondContact O-N 3.45Å; F353-V357 VanDerWaalsContact O-N 3.09Å
354	V	98.9	Very high	98.6	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-61.3	-49.6	-179.4	171.3	0	0	0	0	110.7	V33 F76 P77 L78 V350 G351 A356 V357 H358	V33-V354 HydrophobicContact CG1-CB 4.33Å; V33-V354 HydrophobicContact CG1-CG1 3.86Å; V33-V354 HydrophobicContact CG1-CG2 4.29Å; F76-V354 HydrophobicContact CB-CG2 4.43Å; P77-V354 HydrophobicContact CG-CG1 3.82Å; L78-V354 HydrophobicContact CD2-CG2 3.69Å; L78-V354 HydrophobicContact CG-CG2 4.42Å; V350-V354 WeakPolarHBondContact O-CG2 3.27Å; V350-V354 PolarHBondContact O-N 3.42Å; V350-V354 VanDerWaalsContact O-N 3.16Å; G351-V354 PolarHBondContact O-N 3.02Å; G351-V354 VanDerWaalsContact O-N 3.08Å; V354-A356 VanDerWaalsContact C-N 3.34Å; V354-A356 PolarHBondContact O-N 2.86Å; V354-V357 PolarHBondContact O-N 3.16Å; V354-H358 PolarHBondContact O-N 3.36Å; V354-H358 VanDerWaalsContact O-N 3.1Å
355	D	98.9	Very high	98.5	Very high	94 Å²	94	41.6 Å²	41.6	50%	0.503	20%	0.203	S	C	.	.	H	α-helix	trans	-64.1	-39.5	-178.8	-72	-12.1	0	0	0	111.7	G351 V357 H358 K359	G351-D355 PolarHBondContact O-N 2.84Å; D355-V357 PolarHBondContact O-N 3.39Å; D355-H358 PolarHBondContact O-N 2.93Å; D355-K359 WeakPolarHBondContact O-CB 3.4Å; D355-K359 PolarHBondContact O-N 3.42Å
356	A	98.9	Very high	98	Very high	14 Å²	14	49 Å²	49	12%	0.116	24%	0.237	C	C	.	.	H	α-helix	trans	-63	-41	176.4	0	0	0	0	0	112.2	V321 A352 F353 V354 H360	V321-A356 HydrophobicContact CB-CB 3.93Å; V321-A356 HydrophobicContact CG1-CB 3.79Å; V321-A356 HydrophobicContact CG2-CB 4.2Å; A352-A356 WeakPolarHBondContact O-CB 3.38Å; A352-A356 PolarHBondContact O-N 3.08Å; F353-A356 PolarHBondContact O-N 2.7Å; V354-A356 VanDerWaalsContact C-N 3.34Å; V354-A356 PolarHBondContact O-N 2.86Å; A356-H360 WeakPolarHBondContact O-CB 3.42Å; A356-H360 PolarHBondContact O-N 3.47Å
357	V	98.9	Very high	96	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-62.7	-50.8	176.4	171.8	0	0	0	0	110.1	T31 V33 V321 L325 A335 F353 V354 D355 K359 S361	T31-V357 HydrophobicContact CG2-CG1 4.21Å; V33-V357 HydrophobicContact CB-CB 4.24Å; V33-V357 HydrophobicContact CB-CG1 3.97Å; V33-V357 HydrophobicContact CB-CG2 4.45Å; V33-V357 HydrophobicContact CG1-CB 4.39Å; V33-V357 HydrophobicContact CG1-CG1 4.39Å; V33-V357 HydrophobicContact CG2-CB 4.44Å; V33-V357 HydrophobicContact CG2-CG2 4.15Å; V321-V357 HydrophobicContact CG1-CB 4.35Å; V321-V357 HydrophobicContact CG1-CG2 3.61Å; L325-V357 HydrophobicContact CD1-CG2 4.3Å; L325-V357 HydrophobicContact CD2-CG1 4.39Å; A335-V357 HydrophobicContact CB-CB 4.39Å; A335-V357 HydrophobicContact CB-CG1 3.65Å; A335-V357 HydrophobicContact CB-CG2 3.81Å; F353-V357 HydrophobicContact CD2-CG2 4.42Å; F353-V357 HydrophobicContact CE2-CG2 4.01Å; F353-V357 HydrophobicContact CZ-CG2 4.16Å; F353-V357 WeakPolarHBondContact O-CG2 3.31Å; F353-V357 PolarHBondContact O-N 3.45Å; F353-V357 VanDerWaalsContact O-N 3.09Å; V354-V357 PolarHBondContact O-N 3.16Å; D355-V357 PolarHBondContact O-N 3.39Å; V357-K359 PolarHBondContact O-N 2.79Å; V357-S361 WeakPolarHBondContact O-CB 3.19Å; V357-S361 PolarHBondContact O-N 3.28Å; V357-S361 PolarHBondContact O-OG 3.38Å
358	H	98.9	Very high	95.8	Very high	27 Å²	27	56.3 Å²	56.3	13%	0.125	27%	0.274	C	S	.	.	H	α-helix	trans	-61.3	-43.8	-179.5	-74.3	178.2	0	0	0	112.1	Y30 P77 D79 V354 D355 S361 R362	Y30-H358 AromaticContact CD2-CD2 3.64Å; Y30-H358 AromaticContact CE2-CD2 3.72Å; Y30-H358 AromaticContact CE2-NE2 3.56Å; P77-H358 PolarHBondContact O-CE1 3.2Å; P77-H358 VanDerWaalsContact O-CE1 3.23Å; D79-H358 IonicContact OD1-NE2 3.93Å; D79-H358 IonicContact OD2-CD2 2.76Å; D79-H358 IonicContact OD2-CE1 2.78Å; D79-H358 IonicContact OD2-NE2 3.36Å; D79-H358 PolarHBondContact OD2-NE2 3.43Å; V354-H358 PolarHBondContact O-N 3.36Å; V354-H358 VanDerWaalsContact O-N 3.1Å; D355-H358 PolarHBondContact O-N 2.93Å; H358-S361 PolarHBondContact O-OG 2.99Å; H358-R362 WeakPolarHBondContact O-CD 3.41Å; H358-R362 VanDerWaalsContact O-CG 3.27Å; H358-R362 WeakPolarHBondContact O-CG 3.18Å
359	K	98.8	Very high	95.7	Very high	153 Å²	153	53.6 Å²	53.6	67%	0.665	26%	0.262	S	S	*	.	H	α-helix	trans	-64.5	-55.6	179.7	-179.7	-179.8	176.9	-177.9	0	111.6	D355 V357 R362 L363	D355-K359 WeakPolarHBondContact O-CB 3.4Å; D355-K359 PolarHBondContact O-N 3.42Å; V357-K359 PolarHBondContact O-N 2.79Å; K359-R362 PolarHBondContact O-N 3.24Å; K359-L363 WeakPolarHBondContact O-CG 3.32Å; K359-L363 PolarHBondContact O-N 2.75Å
360	H	98.8	Very high	95.5	Very high	26 Å²	26	54.4 Å²	54.4	12%	0.12	27%	0.266	C	S	.	.	H	α-helix	trans	-72.2	-35.8	-172.7	-172.2	63.5	0	0	0	112.5	L325 D326 A356 R362 L363 L364	L325-H360 HydrophobicContact CD2-CB 4.1Å; D326-H360 IonicContact OD1-CD2 3.71Å; D326-H360 IonicContact OD1-CE1 2.83Å; D326-H360 IonicContact OD1-NE2 2.69Å; D326-H360 PolarHBondContact OD1-NE2 3.23Å; D326-H360 IonicContact OD2-NE2 3.72Å; A356-H360 WeakPolarHBondContact O-CB 3.42Å; A356-H360 PolarHBondContact O-N 3.47Å; H360-R362 VanDerWaalsContact C-N 3.27Å; H360-R362 PolarHBondContact O-N 3.35Å; H360-L363 WeakPolarHBondContact O-CB 3.28Å; H360-L363 PolarHBondContact O-N 3.47Å; H360-L363 VanDerWaalsContact O-N 3.14Å; H360-L364 PolarHBondContact O-N 3.2Å
361	S	98.8	Very high	95.3	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-65.3	-28.4	179.2	62.6	0	0	0	0	114	T31 V357 H358 R365	T31-S361 VanDerWaalsContact CB-CB 3.48Å; T31-S361 PolarHBondContact N-OG 3.36Å; T31-S361 VanDerWaalsContact OG1-CB 3.29Å; T31-S361 WeakPolarHBondContact OG1-CB 3.45Å; V357-S361 WeakPolarHBondContact O-CB 3.19Å; V357-S361 PolarHBondContact O-N 3.28Å; V357-S361 PolarHBondContact O-OG 3.38Å; H358-S361 PolarHBondContact O-OG 2.99Å; S361-R365 WeakPolarHBondContact O-CD 3.19Å; S361-R365 WeakPolarHBondContact O-CG 3.48Å; S361-R365 PolarHBondContact O-NH1 3.41Å
362	R	98.6	Very high	95.1	Very high	110 Å²	110	60.6 Å²	60.6	42%	0.415	29%	0.293	S	S	.	.	H	α-helix	trans	-71.6	-43.1	171.7	-70.2	174.4	-172.4	-77.3	0.6	111.4	H358 K359 H360 L364 R365 Q366	H358-R362 WeakPolarHBondContact O-CD 3.41Å; H358-R362 VanDerWaalsContact O-CG 3.27Å; H358-R362 WeakPolarHBondContact O-CG 3.18Å; K359-R362 PolarHBondContact O-N 3.24Å; H360-R362 VanDerWaalsContact C-N 3.27Å; H360-R362 PolarHBondContact O-N 3.35Å; R362-L364 VanDerWaalsContact C-N 3.3Å; R362-L364 PolarHBondContact O-N 3.17Å; R362-R365 PolarHBondContact O-N 3.38Å; R362-Q366 PolarHBondContact O-N 3.3Å
363	L	97.9	Very high	94.8	Very high	83 Å²	83	63.6 Å²	63.6	44%	0.435	30%	0.304	S	S	.	.	H	α-helix	trans	-61	-40.3	175.2	-64.8	173.4	0	0	0	111.6	K359 H360 R365 Q366 N367	K359-L363 WeakPolarHBondContact O-CG 3.32Å; K359-L363 PolarHBondContact O-N 2.75Å; H360-L363 WeakPolarHBondContact O-CB 3.28Å; H360-L363 PolarHBondContact O-N 3.47Å; H360-L363 VanDerWaalsContact O-N 3.14Å; L363-R365 PolarHBondContact O-N 3.23Å; L363-Q366 PolarHBondContact O-N 3.07Å; L363-N367 PolarHBondContact O-ND2 2.83Å
364	L	97.1	Very high	94.5	Very high	41 Å²	41	68.1 Å²	68.1	22%	0.215	33%	0.326	C	S	.	.	H	α-helix	trans	-64.6	-18.7	179.7	-169.4	62.8	0	0	0	113.9	P330 H360 R362	P330-L364 HydrophobicContact CB-CD2 4.4Å; H360-L364 PolarHBondContact O-N 3.2Å; R362-L364 VanDerWaalsContact C-N 3.3Å; R362-L364 PolarHBondContact O-N 3.17Å
365	R	95.9	Very high	94.2	Very high	57 Å²	57	73.4 Å²	73.4	22%	0.215	35%	0.351	C	S	.	.	H	α-helix	trans	-100.4	-16.7	-178.9	-71.9	165.4	167.9	73	-4.6	113.9	T28 D29 T31 P330 S361 R362 L363	T28-R365 WeakPolarHBondContact O-CD 3.49Å; T28-R365 PolarHBondContact O-NE 2.73Å; T28-R365 PolarHBondContact OG1-NH2 2.95Å; D29-R365 WeakPolarHBondContact O-CD 3.15Å; T31-R365 PolarHBondContact OG1-NH1 2.83Å; T31-R365 VanDerWaalsContact OG1-NH1 3.15Å; T31-R365 PolarHBondContact OG1-NH2 3.38Å; P330-R365 HydrophobicContact CB-CG 3.97Å; P330-R365 PolarHBondContact O-NH2 2.88Å; S361-R365 WeakPolarHBondContact O-CD 3.19Å; S361-R365 WeakPolarHBondContact O-CG 3.48Å; S361-R365 PolarHBondContact O-NH1 3.41Å; R362-R365 PolarHBondContact O-N 3.38Å; L363-R365 PolarHBondContact O-N 3.23Å
366	Q	86.8	Confident	93.8	Very high	160 Å²	160	71.7 Å²	71.7	75%	0.748	34%	0.339	S	S	*	.	H	α-helix	trans	-86.7	-16.8	176.9	-71.7	-176.1	-12.7	0	0	112.7	R362 L363	R362-Q366 PolarHBondContact O-N 3.3Å; L363-Q366 PolarHBondContact O-N 3.07Å
367	N	56.1	Low	93.3	Very high	189 Å²	189	76.9 Å²	76.9	100%	1.011	36%	0.359	S	S	*	.			trans	-95.9	0	172.6	-61.4	-36.4	0	0	0	110.1	L363	L363-N367 PolarHBondContact O-ND2 2.83Å

Retrieved 367 of 367 residues in 73.6 ms (Link to these results)

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