A0A077Z1Q2_TRITR Loading...

DUF7164 domain-containing protein

AlphaFold DB , UniProt , Accession A0A077Z1Q2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 591 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	37.2	Very low	50.5	Low	127 Å²	127	92.9 Å²	92.9	63%	0.626	50%	0.499	S	S	*	.				0	-65.8	0	-69.8	-90.6	-177.4	0	0	110.7	A3 T4 Y5 I38 F41 A42	M1-A3 VanDerWaalsContact C-N 3.29Å; M1-A3 PolarHBondContact O-N 3.36Å; M1-T4 VanDerWaalsContact CA-OG1 3.24Å; M1-T4 WeakPolarHBondContact CA-OG1 3.42Å; M1-T4 PolarHBondContact N-OG1 3.19Å; M1-T4 PolarHBondContact O-N 3.12Å; M1-T4 PolarHBondContact O-OG1 2.82Å; M1-Y5 PolarHBondContact O-N 3.46Å; M1-I38 HydrophobicContact CE-CG2 4Å; M1-I38 HydrophobicContact SD-CG2 3.55Å; M1-I38 VanDerWaalsContact SD-CG2 3.55Å; M1-F41 HydrophobicContact CE-CD1 4.16Å; M1-F41 HydrophobicContact CE-CE1 4.38Å; M1-A42 HydrophobicContact SD-CB 4.12Å
2	S	43.7	Very low	51	Low	98 Å²	98	88 Å²	88	69%	0.685	47%	0.469	S	S	*	.	H	α-helix	trans	-59.6	-38.2	170.1	29.2	0	0	0	0	112.4	Y5 V6	S2-Y5 WeakPolarHBondContact O-CB 3.44Å; S2-Y5 PolarHBondContact O-N 3.4Å; S2-V6 WeakPolarHBondContact O-CG2 3.29Å; S2-V6 PolarHBondContact O-N 2.85Å
3	A	44.1	Very low	51.4	Low	55 Å²	55	93.2 Å²	93.2	46%	0.455	49%	0.486	S	S	.	.	H	α-helix	trans	-60.1	-49	171.9	0	0	0	0	0	112.4	M1 Y5 V6 F7	M1-A3 VanDerWaalsContact C-N 3.29Å; M1-A3 PolarHBondContact O-N 3.36Å; A3-Y5 VanDerWaalsContact C-N 3.29Å; A3-Y5 PolarHBondContact O-N 3.28Å; A3-V6 PolarHBondContact O-N 2.99Å; A3-F7 HydrophobicContact CB-CD2 4.33Å; A3-F7 HydrophobicContact CB-CE2 4.46Å; A3-F7 WeakPolarHBondContact O-CB 3.3Å; A3-F7 WeakPolarHBondContact O-CD2 3.49Å; A3-F7 PolarHBondContact O-N 3.17Å
4	T	45.4	Very low	51.6	Low	72 Å²	72	92.4 Å²	92.4	44%	0.442	50%	0.499	S	S	.	.	H	α-helix	trans	-61.9	-34.5	178	17	0	0	0	0	112.8	M1 S8	M1-T4 VanDerWaalsContact CA-OG1 3.24Å; M1-T4 WeakPolarHBondContact CA-OG1 3.42Å; M1-T4 PolarHBondContact N-OG1 3.19Å; M1-T4 PolarHBondContact O-N 3.12Å; M1-T4 PolarHBondContact O-OG1 2.82Å; T4-S8 WeakPolarHBondContact O-CB 3.3Å; T4-S8 PolarHBondContact O-N 3.32Å
5	Y	48.8	Very low	51.7	Low	124 Å²	124	92.4 Å²	92.4	49%	0.486	50%	0.504	S	S	.	.	H	α-helix	trans	-64.8	-50.5	172.6	-179.9	-96.9	0	0	0	112.1	M1 S2 A3 S8 F9 Y39	M1-Y5 PolarHBondContact O-N 3.46Å; S2-Y5 WeakPolarHBondContact O-CB 3.44Å; S2-Y5 PolarHBondContact O-N 3.4Å; A3-Y5 VanDerWaalsContact C-N 3.29Å; A3-Y5 PolarHBondContact O-N 3.28Å; Y5-S8 PolarHBondContact O-N 3.19Å; Y5-F9 HydrophobicContact CD1-CD2 4.36Å; Y5-F9 HydrophobicContact CD2-CD2 4.14Å; Y5-F9 HydrophobicContact CD2-CE2 4.18Å; Y5-F9 AromaticContact CE1-CD2 3.97Å; Y5-F9 HydrophobicContact CE1-CD2 3.97Å; Y5-F9 HydrophobicContact CE1-CE2 4.2Å; Y5-F9 AromaticContact CE2-CD2 3.75Å; Y5-F9 HydrophobicContact CE2-CD2 3.75Å; Y5-F9 AromaticContact CE2-CE2 3.41Å; Y5-F9 HydrophobicContact CE2-CE2 3.41Å; Y5-F9 VanDerWaalsContact CE2-CE2 3.41Å; Y5-F9 HydrophobicContact CG-CD2 4.44Å; Y5-F9 AromaticContact CZ-CD2 3.65Å; Y5-F9 AromaticContact CZ-CE2 3.42Å; Y5-F9 VanDerWaalsContact CZ-CE2 3.42Å; Y5-F9 PolarHBondContact O-N 3.21Å; Y5-F9 WeakPolarHBondContact OH-CE2 3.45Å; Y5-Y39 HydrophobicContact CE2-CE2 4.29Å
6	V	54	Low	51.8	Low	91 Å²	91	92.7 Å²	92.7	55%	0.552	51%	0.505	S	S	*	.	H	α-helix	trans	-62.1	-44.4	177.4	172.9	0	0	0	0	110.5	S2 A3 S8 F9 A10	S2-V6 WeakPolarHBondContact O-CG2 3.29Å; S2-V6 PolarHBondContact O-N 2.85Å; A3-V6 PolarHBondContact O-N 2.99Å; V6-S8 PolarHBondContact O-N 3.42Å; V6-F9 PolarHBondContact O-N 3.42Å; V6-A10 WeakPolarHBondContact O-CB 3.34Å; V6-A10 PolarHBondContact O-N 2.96Å
7	F	53.5	Low	52.2	Low	155 Å²	155	88.5 Å²	88.5	68%	0.68	48%	0.483	S	S	*	.	H	α-helix	trans	-63.9	-40.6	177	-84.4	-68.6	0	0	0	112.4	A3 K11	A3-F7 HydrophobicContact CB-CD2 4.33Å; A3-F7 HydrophobicContact CB-CE2 4.46Å; A3-F7 WeakPolarHBondContact O-CB 3.3Å; A3-F7 WeakPolarHBondContact O-CD2 3.49Å; A3-F7 PolarHBondContact O-N 3.17Å; F7-K11 WeakPolarHBondContact O-CB 3.31Å; F7-K11 PolarHBondContact O-N 3.45Å
8	S	55.6	Low	52.4	Low	19 Å²	19	89.6 Å²	89.6	13%	0.133	50%	0.499	C	S	.	.	H	α-helix	trans	-68.3	-39	177.1	-176.3	0	0	0	0	112.3	T4 Y5 V6 K12 H35	T4-S8 WeakPolarHBondContact O-CB 3.3Å; T4-S8 PolarHBondContact O-N 3.32Å; Y5-S8 PolarHBondContact O-N 3.19Å; V6-S8 PolarHBondContact O-N 3.42Å; S8-K12 WeakPolarHBondContact O-CB 3.31Å; S8-K12 VanDerWaalsContact O-CG 3.25Å; S8-K12 WeakPolarHBondContact O-CG 3.44Å; S8-K12 PolarHBondContact O-N 2.92Å; S8-H35 PolarHBondContact OG-NE2 2.97Å
9	F	57.9	Low	52.4	Low	78 Å²	78	91.7 Å²	91.7	34%	0.342	50%	0.504	S	S	.	.	H	α-helix	trans	-70	-45.8	175.6	-98.8	-85.8	0	0	0	111.3	Y5 V6 K11 K12 F13	Y5-F9 HydrophobicContact CD1-CD2 4.36Å; Y5-F9 HydrophobicContact CD2-CD2 4.14Å; Y5-F9 HydrophobicContact CD2-CE2 4.18Å; Y5-F9 AromaticContact CE1-CD2 3.97Å; Y5-F9 HydrophobicContact CE1-CD2 3.97Å; Y5-F9 HydrophobicContact CE1-CE2 4.2Å; Y5-F9 AromaticContact CE2-CD2 3.75Å; Y5-F9 HydrophobicContact CE2-CD2 3.75Å; Y5-F9 AromaticContact CE2-CE2 3.41Å; Y5-F9 HydrophobicContact CE2-CE2 3.41Å; Y5-F9 VanDerWaalsContact CE2-CE2 3.41Å; Y5-F9 HydrophobicContact CG-CD2 4.44Å; Y5-F9 AromaticContact CZ-CD2 3.65Å; Y5-F9 AromaticContact CZ-CE2 3.42Å; Y5-F9 VanDerWaalsContact CZ-CE2 3.42Å; Y5-F9 PolarHBondContact O-N 3.21Å; Y5-F9 WeakPolarHBondContact OH-CE2 3.45Å; V6-F9 PolarHBondContact O-N 3.42Å; F9-K11 PolarHBondContact O-N 3.35Å; F9-K12 PolarHBondContact O-N 3.38Å; F9-F13 HydrophobicContact CD1-CD2 4.45Å; F9-F13 HydrophobicContact CD1-CE2 4.11Å; F9-F13 WeakPolarHBondContact O-CD2 3.5Å; F9-F13 PolarHBondContact O-N 2.95Å
10	A	58.3	Low	52.7	Low	52 Å²	52	88.8 Å²	88.8	43%	0.43	49%	0.491	S	S	.	.	H	α-helix	trans	-60.5	-44.5	177.3	0	0	0	0	0	111.4	V6 K12 F13 A14	V6-A10 WeakPolarHBondContact O-CB 3.34Å; V6-A10 PolarHBondContact O-N 2.96Å; A10-K12 VanDerWaalsContact C-N 3.33Å; A10-K12 PolarHBondContact O-N 3.04Å; A10-F13 PolarHBondContact O-N 3.4Å; A10-A14 WeakPolarHBondContact O-CB 3.47Å; A10-A14 PolarHBondContact O-N 3.29Å
11	K	57.5	Low	53.2	Low	151 Å²	151	90.8 Å²	90.8	66%	0.657	51%	0.506	S	S	*	.	H	α-helix	trans	-58.9	-43.4	175.1	-173.8	178.1	179.3	-177.8	0	111.5	F7 F9 A14 T15	F7-K11 WeakPolarHBondContact O-CB 3.31Å; F7-K11 PolarHBondContact O-N 3.45Å; F9-K11 PolarHBondContact O-N 3.35Å; K11-A14 PolarHBondContact O-N 2.95Å; K11-T15 WeakPolarHBondContact O-CG2 3.14Å; K11-T15 PolarHBondContact O-N 2.92Å; K11-T15 PolarHBondContact O-OG1 2.72Å; K11-T15 VanDerWaalsContact O-OG1 3.07Å
12	K	55.7	Low	55	Low	34 Å²	34	89.1 Å²	89.1	15%	0.148	50%	0.499	C	S	.	.	H	α-helix	trans	-68.3	-35.8	-179.8	-75.5	178.1	-177.4	-164.7	0	113.7	S8 F9 A10 C17 C108 C109	S8-K12 WeakPolarHBondContact O-CB 3.31Å; S8-K12 VanDerWaalsContact O-CG 3.25Å; S8-K12 WeakPolarHBondContact O-CG 3.44Å; S8-K12 PolarHBondContact O-N 2.92Å; F9-K12 PolarHBondContact O-N 3.38Å; A10-K12 VanDerWaalsContact C-N 3.33Å; A10-K12 PolarHBondContact O-N 3.04Å; K12-C17 WeakPolarHBondContact O-CB 3.38Å; K12-C108 WeakPolarHBondContact CD-O 3.39Å; K12-C108 WeakPolarHBondContact CE-O 3.36Å; K12-C108 PolarHBondContact NZ-O 2.82Å; K12-C109 PolarHBondContact NZ-O 3.46Å
13	F	56	Low	56.8	Low	156 Å²	156	91 Å²	91	68%	0.684	50%	0.497	S	S	*	.	H	α-helix	trans	-73.4	-39.5	172.4	-87.7	-74.9	0	0	0	111.8	F9 A10 T15 N16	F9-F13 HydrophobicContact CD1-CD2 4.45Å; F9-F13 HydrophobicContact CD1-CE2 4.11Å; F9-F13 WeakPolarHBondContact O-CD2 3.5Å; F9-F13 PolarHBondContact O-N 2.95Å; A10-F13 PolarHBondContact O-N 3.4Å; F13-T15 VanDerWaalsContact C-N 3.33Å; F13-T15 PolarHBondContact O-N 2.68Å; F13-N16 PolarHBondContact O-N 3.3Å
14	A	54.9	Low	58.7	Low	81 Å²	81	89.7 Å²	89.7	67%	0.669	48%	0.482	S	S	*	.	H	α-helix	trans	-65.4	-33.4	179.1	0	0	0	0	0	112.9	A10 K11 N16	A10-A14 WeakPolarHBondContact O-CB 3.47Å; A10-A14 PolarHBondContact O-N 3.29Å; K11-A14 PolarHBondContact O-N 2.95Å; A14-N16 PolarHBondContact O-N 3.04Å
15	T	53.4	Low	60.7	Low	93 Å²	93	86.8 Å²	86.8	57%	0.571	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.9	15.8	179.5	54.3	0	0	0	0	114.4	K11 F13 C17	K11-T15 WeakPolarHBondContact O-CG2 3.14Å; K11-T15 PolarHBondContact O-N 2.92Å; K11-T15 PolarHBondContact O-OG1 2.72Å; K11-T15 VanDerWaalsContact O-OG1 3.07Å; F13-T15 VanDerWaalsContact C-N 3.33Å; F13-T15 PolarHBondContact O-N 2.68Å; T15-C17 PolarHBondContact O-N 3.07Å
16	N	53.6	Low	62.5	Low	97 Å²	97	80.9 Å²	80.9	52%	0.519	44%	0.441	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.5	28.6	-178.2	-83.4	-15	0	0	0	113.5	F13 A14 S18 Q19	F13-N16 PolarHBondContact O-N 3.3Å; A14-N16 PolarHBondContact O-N 3.04Å; N16-S18 PolarHBondContact O-N 2.91Å; N16-Q19 WeakPolarHBondContact O-CB 3.3Å; N16-Q19 PolarHBondContact O-N 3.07Å
17	C	58.2	Low	64	Low	21 Å²	21	80.6 Å²	80.6	14%	0.142	43%	0.433	C	S	.	.	G	3₁₀ helix	trans	-60.6	-27	-170.8	-168.2	0	0	0	0	112.2	K12 T15 Q19 S20 C108	K12-C17 WeakPolarHBondContact O-CB 3.38Å; T15-C17 PolarHBondContact O-N 3.07Å; C17-Q19 PolarHBondContact O-N 2.92Å; C17-S20 PolarHBondContact O-N 3.02Å; C17-C108 HydrophobicContact CB-CB 4.15Å; C17-C108 WeakPolarHBondContact CB-SG 3.2Å; C17-C108 PolarHBondContact O-SG 3.47Å; C17-C108 WeakPolarHBondContact SG-CA 3.34Å; C17-C108 WeakPolarHBondContact SG-CB 3.27Å; C17-C108 CovalentContact SG-SG 2.05Å; C17-C108 PolarHBondContact SG-SG 3.26Å
18	S	54.7	Low	65.5	Low	108 Å²	108	78.1 Å²	78.1	76%	0.755	42%	0.423	S	S	*	.	G	3₁₀ helix	trans	-60.8	-9.6	174.9	68	0	0	0	0	114.6	N16	N16-S18 PolarHBondContact O-N 2.91Å
19	Q	53.1	Low	67	Low	130 Å²	130	77.2 Å²	77.2	61%	0.607	42%	0.417	S	S	*	.	G	3₁₀ helix	trans	-96.1	-14.3	175.2	-60.2	-176.8	0	0	0	113.5	N16 C17	N16-Q19 WeakPolarHBondContact O-CB 3.3Å; N16-Q19 PolarHBondContact O-N 3.07Å; C17-Q19 PolarHBondContact O-N 2.92Å
20	S	57.8	Low	68.2	Low	34 Å²	34	74.2 Å²	74.2	24%	0.238	40%	0.404	C	S	.	.			trans	-81.4	129.3	178.3	167.2	0	0	0	0	110.6	C17 D22 I107	C17-S20 PolarHBondContact O-N 3.02Å; S20-D22 VanDerWaalsContact C-N 3.31Å; S20-D22 WeakPolarHBondContact OG-CB 3.4Å; S20-D22 VanDerWaalsContact OG-CG 3.31Å; S20-D22 PolarHBondContact OG-N 3.08Å; S20-D22 VanDerWaalsContact OG-N 3.14Å; S20-D22 PolarHBondContact OG-OD2 3.32Å; S20-I107 WeakPolarHBondContact OG-CG2 3.43Å
21	T	63.4	Low	69.4	Low	130 Å²	130	78.5 Å²	78.5	80%	0.798	41%	0.413	S	S	*	.			trans	-89.4	4.3	172.6	51.8	0	0	0	0	112.7
22	D	76.1	Confident	70.5	Confident	93 Å²	93	74.5 Å²	74.5	50%	0.497	41%	0.409	S	S	.	.			trans	-69.1	139.6	-176.7	-56.1	-47.9	0	0	0	110.4	S20 I107	S20-D22 VanDerWaalsContact C-N 3.31Å; S20-D22 WeakPolarHBondContact OG-CB 3.4Å; S20-D22 VanDerWaalsContact OG-CG 3.31Å; S20-D22 PolarHBondContact OG-N 3.08Å; S20-D22 VanDerWaalsContact OG-N 3.14Å; S20-D22 PolarHBondContact OG-OD2 3.32Å; D22-I107 HydrophobicContact CB-CB 4.05Å; D22-I107 HydrophobicContact CB-CD1 3.77Å; D22-I107 HydrophobicContact CB-CG2 4.06Å; D22-I107 WeakPolarHBondContact O-CB 3.41Å; D22-I107 PolarHBondContact O-N 3.14Å
23	E	80.9	Confident	71.6	Confident	136 Å²	136	74.7 Å²	74.7	64%	0.636	41%	0.411	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.5	145.2	179.1	-64.9	-173.1	165.8	0	0	110.3	Q104 I105	E23-Q104 HydrophobicContact CB-CB 4.14Å; E23-Q104 WeakPolarHBondContact OE2-CB 3.38Å; E23-I105 CarbonylContact C-O 3.49Å; E23-I105 WeakPolarHBondContact CA-O 3.49Å
24	I	83.9	Confident	72.6	Confident	28 Å²	28	70.6 Å²	70.6	14%	0.144	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	151.1	179	-166	166.2	0	0	0	109.2	E28 C29 Q104 I105	I24-E28 HydrophobicContact CD1-CB 3.81Å; I24-E28 HydrophobicContact CG1-CB 3.57Å; I24-C29 HydrophobicContact CD1-CB 4.42Å; I24-C29 HydrophobicContact CG1-CB 4.49Å; I24-C29 HydrophobicContact CG2-CB 3.9Å; I24-Q104 PolarHBondContact O-OE1 3.13Å; I24-I105 HydrophobicContact CG2-CG1 4.07Å; I24-I105 PolarHBondContact N-O 3.05Å; I24-I105 WeakPolarHBondContact O-CG1 3.26Å; I24-I105 PolarHBondContact O-N 2.79Å; I24-I105 VanDerWaalsContact O-O 3.11Å
25	T	86.7	Confident	73.5	Confident	11 Å²	11	70 Å²	70	7%	0.067	38%	0.383	C	S	.	.			trans	-74	149.2	172.4	64.8	0	0	0	0	111.1	K27 E28 C29	T25-K27 PolarHBondContact O-N 3.41Å; T25-E28 WeakPolarHBondContact CB-OE2 3.04Å; T25-E28 WeakPolarHBondContact CG2-OE2 3.5Å; T25-E28 PolarHBondContact N-OE2 3Å; T25-E28 VanDerWaalsContact N-OE2 3.07Å; T25-E28 PolarHBondContact O-N 2.81Å; T25-E28 WeakPolarHBondContact OG1-CB 3.43Å; T25-E28 WeakPolarHBondContact OG1-CG 3.33Å; T25-E28 PolarHBondContact OG1-N 3.4Å; T25-E28 PolarHBondContact OG1-OE2 2.88Å; T25-C29 WeakPolarHBondContact O-CB 3.46Å; T25-C29 PolarHBondContact O-N 3Å
26	P	86.5	Confident	74.4	Confident	0 Å²	0	66.1 Å²	66.1	0%	0	36%	0.36	C	S	.	.	H	α-helix	trans	-52.7	-36.3	171.7	-28.5	34.4	0	0	0	113.1	C29 L30 V97 R100 E103 I105 M114	P26-C29 WeakPolarHBondContact O-CB 3.37Å; P26-L30 WeakPolarHBondContact O-CB 3.47Å; P26-L30 PolarHBondContact O-N 3.16Å; P26-V97 HydrophobicContact CB-CG1 3.96Å; P26-R100 HydrophobicContact CB-CB 4.26Å; P26-R100 HydrophobicContact CG-CB 4.11Å; P26-E103 WeakPolarHBondContact CD-O 3.36Å; P26-I105 HydrophobicContact CB-CD1 4.49Å; P26-I105 HydrophobicContact CG-CD1 4.23Å; P26-I105 HydrophobicContact CG-CG1 4.29Å; P26-I105 HydrophobicContact CG-CG2 4.09Å; P26-M114 HydrophobicContact CB-SD 3.91Å; P26-M114 VanDerWaalsContact O-CE 3.31Å; P26-M114 WeakPolarHBondContact O-CE 3.41Å
27	K	85.5	Confident	75.3	Confident	85 Å²	85	65.9 Å²	65.9	37%	0.37	35%	0.354	S	S	.	.	H	α-helix	trans	-60.1	-56.3	175.3	176.3	-179.5	174.1	-172.3	0	112	T25 C29 L30 F31 L98 T101	T25-K27 PolarHBondContact O-N 3.41Å; K27-C29 VanDerWaalsContact C-N 3.28Å; K27-C29 PolarHBondContact O-N 3.43Å; K27-L30 PolarHBondContact O-N 3.25Å; K27-F31 HydrophobicContact CD-CE2 4.34Å; K27-F31 HydrophobicContact CG-CD2 4Å; K27-F31 HydrophobicContact CG-CE2 3.65Å; K27-F31 WeakPolarHBondContact O-CD2 3.31Å; K27-F31 PolarHBondContact O-N 3.06Å; K27-F31 VanDerWaalsContact O-N 3.12Å; K27-L98 HydrophobicContact CG-CD2 4Å; K27-T101 HydrophobicContact CD-CG2 4.15Å
28	E	86.2	Confident	75.9	Confident	104 Å²	104	67 Å²	67	49%	0.486	36%	0.358	S	S	.	.	H	α-helix	trans	-62.8	-39	179.6	-70.9	159.8	157.2	0	0	111.4	I24 T25 L30 F31 A32	I24-E28 HydrophobicContact CD1-CB 3.81Å; I24-E28 HydrophobicContact CG1-CB 3.57Å; T25-E28 WeakPolarHBondContact CB-OE2 3.04Å; T25-E28 WeakPolarHBondContact CG2-OE2 3.5Å; T25-E28 PolarHBondContact N-OE2 3Å; T25-E28 VanDerWaalsContact N-OE2 3.07Å; T25-E28 PolarHBondContact O-N 2.81Å; T25-E28 WeakPolarHBondContact OG1-CB 3.43Å; T25-E28 WeakPolarHBondContact OG1-CG 3.33Å; T25-E28 PolarHBondContact OG1-N 3.4Å; T25-E28 PolarHBondContact OG1-OE2 2.88Å; E28-L30 VanDerWaalsContact C-N 3.34Å; E28-L30 PolarHBondContact O-N 3.44Å; E28-F31 PolarHBondContact O-N 2.92Å; E28-A32 WeakPolarHBondContact O-CB 3.46Å; E28-A32 PolarHBondContact O-N 3.08Å
29	C	86.2	Confident	76.6	Confident	0 Å²	0	66.5 Å²	66.5	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-59.3	-42.4	175.2	172.1	0	0	0	0	112.9	I24 T25 P26 K27 A32 N33 I105 C109 M114	I24-C29 HydrophobicContact CD1-CB 4.42Å; I24-C29 HydrophobicContact CG1-CB 4.49Å; I24-C29 HydrophobicContact CG2-CB 3.9Å; T25-C29 WeakPolarHBondContact O-CB 3.46Å; T25-C29 PolarHBondContact O-N 3Å; P26-C29 WeakPolarHBondContact O-CB 3.37Å; K27-C29 VanDerWaalsContact C-N 3.28Å; K27-C29 PolarHBondContact O-N 3.43Å; C29-A32 PolarHBondContact O-N 3.33Å; C29-N33 WeakPolarHBondContact O-CB 2.95Å; C29-N33 PolarHBondContact O-N 2.99Å; C29-N33 PolarHBondContact O-ND2 3.2Å; C29-I105 HydrophobicContact CB-CD1 4.24Å; C29-C109 WeakPolarHBondContact CA-SG 3.14Å; C29-C109 HydrophobicContact CB-CB 4.28Å; C29-C109 WeakPolarHBondContact CB-SG 3.1Å; C29-C109 WeakPolarHBondContact SG-CA 3.17Å; C29-C109 WeakPolarHBondContact SG-CB 3.13Å; C29-C109 CovalentContact SG-SG 1.99Å; C29-C109 PolarHBondContact SG-SG 3.29Å; C29-M114 HydrophobicContact CB-CE 4.1Å; C29-M114 HydrophobicContact CB-SD 3.82Å; C29-M114 PolarHBondContact SG-SD 3.1Å
30	L	83.9	Confident	77.5	Confident	14 Å²	14	60.4 Å²	60.4	7%	0.073	31%	0.312	C	S	.	.	H	α-helix	trans	-66	-39.6	175.3	-173.7	63.3	0	0	0	111.6	P26 K27 E28 N33 P34 L36 T94 V97 L98 M114	P26-L30 WeakPolarHBondContact O-CB 3.47Å; P26-L30 PolarHBondContact O-N 3.16Å; K27-L30 PolarHBondContact O-N 3.25Å; E28-L30 VanDerWaalsContact C-N 3.34Å; E28-L30 PolarHBondContact O-N 3.44Å; L30-N33 CarbonylContact O-C 3.2Å; L30-N33 PolarHBondContact O-N 3.45Å; L30-P34 WeakPolarHBondContact O-CA 3.42Å; L30-L36 HydrophobicContact CD1-CB 4.22Å; L30-T94 HydrophobicContact CD2-CG2 4.14Å; L30-V97 HydrophobicContact CB-CG1 4.06Å; L30-V97 HydrophobicContact CD2-CB 4.22Å; L30-V97 HydrophobicContact CD2-CG1 3.86Å; L30-V97 HydrophobicContact CG-CG1 4.49Å; L30-L98 HydrophobicContact CD2-CD2 4.49Å; L30-M114 HydrophobicContact CB-CE 3.9Å; L30-M114 HydrophobicContact CD1-CE 4.43Å
31	F	82.5	Confident	78.3	Confident	142 Å²	142	61.5 Å²	61.5	62%	0.623	31%	0.313	S	S	*	.	H	α-helix	trans	-64.5	-39.5	173.8	-76.7	-64.2	0	0	0	112.4	K27 E28 N33 L98	K27-F31 HydrophobicContact CD-CE2 4.34Å; K27-F31 HydrophobicContact CG-CD2 4Å; K27-F31 HydrophobicContact CG-CE2 3.65Å; K27-F31 WeakPolarHBondContact O-CD2 3.31Å; K27-F31 PolarHBondContact O-N 3.06Å; K27-F31 VanDerWaalsContact O-N 3.12Å; E28-F31 PolarHBondContact O-N 2.92Å; F31-N33 VanDerWaalsContact C-N 3.34Å; F31-L98 HydrophobicContact CE2-CD2 4.15Å; F31-L98 HydrophobicContact CZ-CD2 4.25Å
32	A	80.9	Confident	78.8	Confident	67 Å²	67	56.5 Å²	56.5	55%	0.554	29%	0.285	S	S	*	.	H	α-helix	trans	-71.5	-29.6	177.1	0	0	0	0	0	112.7	E28 C29	E28-A32 WeakPolarHBondContact O-CB 3.46Å; E28-A32 PolarHBondContact O-N 3.08Å; C29-A32 PolarHBondContact O-N 3.33Å
33	N	80.3	Confident	78.9	Confident	38 Å²	38	53.9 Å²	53.9	20%	0.203	27%	0.27	C	S	.	.			trans	-130.6	68.5	-175.8	-64	-88.6	0	0	0	110.9	C29 L30 F31 H35 L36 C109	C29-N33 WeakPolarHBondContact O-CB 2.95Å; C29-N33 PolarHBondContact O-N 2.99Å; C29-N33 PolarHBondContact O-ND2 3.2Å; L30-N33 CarbonylContact O-C 3.2Å; L30-N33 PolarHBondContact O-N 3.45Å; F31-N33 VanDerWaalsContact C-N 3.34Å; N33-H35 PolarHBondContact O-N 3.18Å; N33-H35 VanDerWaalsContact O-N 3.16Å; N33-H35 PolarHBondContact OD1-CE1 3.08Å; N33-L36 HydrophobicContact CB-CD1 3.64Å; N33-L36 HydrophobicContact CB-CG 3.95Å; N33-L36 WeakPolarHBondContact O-CB 3.3Å; N33-L36 WeakPolarHBondContact O-CG 3.37Å; N33-L36 PolarHBondContact O-N 3.27Å; N33-L36 VanDerWaalsContact O-N 3.11Å; N33-C109 PolarHBondContact ND2-SG 3.41Å
34	P	76	Confident	78.9	Confident	71 Å²	71	48.8 Å²	48.8	46%	0.461	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-59.1	-33.9	-174.3	21.6	-32.1	0	0	0	111.8	L30 L36 F37	L30-P34 WeakPolarHBondContact O-CA 3.42Å; P34-L36 PolarHBondContact O-N 3.02Å; P34-F37 HydrophobicContact CB-CD1 4.37Å; P34-F37 HydrophobicContact CB-CE1 4.21Å; P34-F37 WeakPolarHBondContact O-CD1 3.41Å; P34-F37 VanDerWaalsContact O-CE1 3.24Å; P34-F37 WeakPolarHBondContact O-CE1 3.33Å; P34-F37 WeakPolarHBondContact O-CG 3.31Å; P34-F37 PolarHBondContact O-N 2.86Å
35	H	73.6	Confident	78.8	Confident	67 Å²	67	49.3 Å²	49.3	31%	0.31	25%	0.25	S	S	.	.	G	3₁₀ helix	trans	-55.1	-17.3	179	64	-78.1	0	0	0	115.1	S8 N33 F37 I38	S8-H35 PolarHBondContact OG-NE2 2.97Å; N33-H35 PolarHBondContact O-N 3.18Å; N33-H35 VanDerWaalsContact O-N 3.16Å; N33-H35 PolarHBondContact OD1-CE1 3.08Å; H35-F37 PolarHBondContact O-N 3.18Å; H35-I38 HydrophobicContact CB-CD1 4.49Å; H35-I38 WeakPolarHBondContact O-CB 3.38Å; H35-I38 PolarHBondContact O-N 3.28Å
36	L	72.9	Confident	78.5	Confident	13 Å²	13	52.8 Å²	52.8	7%	0.068	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-62.6	-23.9	173.1	-65.5	174.3	0	0	0	113.4	L30 N33 P34 I38 Y39 C109 M114	L30-L36 HydrophobicContact CD1-CB 4.22Å; N33-L36 HydrophobicContact CB-CD1 3.64Å; N33-L36 HydrophobicContact CB-CG 3.95Å; N33-L36 WeakPolarHBondContact O-CB 3.3Å; N33-L36 WeakPolarHBondContact O-CG 3.37Å; N33-L36 PolarHBondContact O-N 3.27Å; N33-L36 VanDerWaalsContact O-N 3.11Å; P34-L36 PolarHBondContact O-N 3.02Å; L36-I38 PolarHBondContact O-N 3.4Å; L36-Y39 PolarHBondContact O-N 3.44Å; L36-C109 HydrophobicContact CD1-CB 4.12Å; L36-M114 HydrophobicContact CD1-CE 4.18Å; L36-M114 HydrophobicContact CD1-CG 4.39Å
37	F	72.7	Confident	78.3	Confident	91 Å²	91	53 Å²	53	40%	0.399	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-65.7	-21.2	175.6	74.1	-112.5	0	0	0	112.9	P34 H35 Y39 P40 V90	P34-F37 HydrophobicContact CB-CD1 4.37Å; P34-F37 HydrophobicContact CB-CE1 4.21Å; P34-F37 WeakPolarHBondContact O-CD1 3.41Å; P34-F37 VanDerWaalsContact O-CE1 3.24Å; P34-F37 WeakPolarHBondContact O-CE1 3.33Å; P34-F37 WeakPolarHBondContact O-CG 3.31Å; P34-F37 PolarHBondContact O-N 2.86Å; H35-F37 PolarHBondContact O-N 3.18Å; F37-Y39 PolarHBondContact O-N 3.21Å; F37-P40 WeakPolarHBondContact O-CD 3.47Å; F37-V90 HydrophobicContact CB-CG1 4.16Å; F37-V90 HydrophobicContact CD2-CG1 4.06Å
38	I	70.7	Confident	78.2	Confident	46 Å²	46	50.6 Å²	50.6	24%	0.236	26%	0.259	C	S	.	.	H	α-helix	trans	-73.2	-20.5	-175.8	-58.7	172.6	0	0	0	111.4	M1 H35 L36 F41 A42	M1-I38 HydrophobicContact CE-CG2 4Å; M1-I38 HydrophobicContact SD-CG2 3.55Å; M1-I38 VanDerWaalsContact SD-CG2 3.55Å; H35-I38 HydrophobicContact CB-CD1 4.49Å; H35-I38 WeakPolarHBondContact O-CB 3.38Å; H35-I38 PolarHBondContact O-N 3.28Å; L36-I38 PolarHBondContact O-N 3.4Å; I38-F41 VanDerWaalsContact O-CB 3.27Å; I38-F41 WeakPolarHBondContact O-CB 3.28Å; I38-F41 PolarHBondContact O-N 3.47Å; I38-F41 VanDerWaalsContact O-N 3.12Å; I38-A42 PolarHBondContact O-N 3.13Å
39	Y	69.2	Low	78.1	Confident	96 Å²	96	48.3 Å²	48.3	38%	0.376	25%	0.253	S	S	.	.	H	α-helix	trans	-57.1	-56.6	-173.5	-173.8	-99.3	0	0	0	113.9	Y5 L36 F37 F41 A42 N111	Y5-Y39 HydrophobicContact CE2-CE2 4.29Å; L36-Y39 PolarHBondContact O-N 3.44Å; F37-Y39 PolarHBondContact O-N 3.21Å; Y39-F41 PolarHBondContact O-N 2.89Å; Y39-A42 PolarHBondContact O-N 3.45Å; Y39-N111 WeakPolarHBondContact CD1-ND2 3.44Å; Y39-N111 WeakPolarHBondContact CE1-ND2 3.44Å
40	P	72.1	Confident	77.9	Confident	2 Å²	2	49.7 Å²	49.7	1%	0.013	26%	0.262	C	S	.	.	H	α-helix	trans	-63	-29.4	175.8	24	-33.7	0	0	0	112.7	F37 A42 Y44 V90 Y93 F119	F37-P40 WeakPolarHBondContact O-CD 3.47Å; P40-A42 PolarHBondContact O-N 3.19Å; P40-Y44 WeakPolarHBondContact O-CB 3.27Å; P40-Y44 WeakPolarHBondContact O-CD2 3.41Å; P40-Y44 PolarHBondContact O-N 3.04Å; P40-V90 HydrophobicContact CG-CG2 4.26Å; P40-Y93 HydrophobicContact CG-CD1 3.98Å; P40-Y93 HydrophobicContact CG-CD2 4.5Å; P40-Y93 HydrophobicContact CG-CG 3.87Å; P40-F119 HydrophobicContact CB-CE1 4.33Å; P40-F119 HydrophobicContact CB-CZ 3.9Å
41	F	75	Confident	78	Confident	58 Å²	58	50.7 Å²	50.7	25%	0.254	27%	0.267	S	S	.	.	H	α-helix	trans	-58.7	-52.3	179.3	-171.6	-98.4	0	0	0	111.9	M1 I38 Y39 D43 Y44 V45 A86 V90	M1-F41 HydrophobicContact CE-CD1 4.16Å; M1-F41 HydrophobicContact CE-CE1 4.38Å; I38-F41 VanDerWaalsContact O-CB 3.27Å; I38-F41 WeakPolarHBondContact O-CB 3.28Å; I38-F41 PolarHBondContact O-N 3.47Å; I38-F41 VanDerWaalsContact O-N 3.12Å; Y39-F41 PolarHBondContact O-N 2.89Å; F41-D43 PolarHBondContact O-N 2.78Å; F41-Y44 PolarHBondContact O-N 3.46Å; F41-V45 HydrophobicContact CD1-CG2 4.02Å; F41-V45 HydrophobicContact CE1-CG2 3.69Å; F41-V45 HydrophobicContact CE2-CG2 4.48Å; F41-V45 HydrophobicContact CZ-CG2 3.95Å; F41-V45 WeakPolarHBondContact O-CG2 3.19Å; F41-V45 PolarHBondContact O-N 3Å; F41-A86 HydrophobicContact CD2-CB 3.61Å; F41-A86 HydrophobicContact CE2-CB 3.59Å; F41-A86 HydrophobicContact CG-CB 4.31Å; F41-A86 HydrophobicContact CZ-CB 4.28Å; F41-V90 HydrophobicContact CB-CG2 3.52Å; F41-V90 HydrophobicContact CD2-CG2 3.91Å; F41-V90 HydrophobicContact CG-CG2 4.2Å
42	A	74	Confident	78	Confident	25 Å²	25	46.1 Å²	46.1	21%	0.207	25%	0.25	C	C	.	.	H	α-helix	trans	-63.8	-46.1	-172.9	0	0	0	0	0	112.1	M1 I38 Y39 P40 Y44 V45 I46	M1-A42 HydrophobicContact SD-CB 4.12Å; I38-A42 PolarHBondContact O-N 3.13Å; Y39-A42 PolarHBondContact O-N 3.45Å; P40-A42 PolarHBondContact O-N 3.19Å; A42-Y44 VanDerWaalsContact C-N 3.33Å; A42-Y44 PolarHBondContact O-N 2.68Å; A42-V45 PolarHBondContact O-N 3.17Å; A42-I46 WeakPolarHBondContact O-CG1 3.37Å; A42-I46 PolarHBondContact O-N 3.12Å
43	D	76.7	Confident	78.1	Confident	37 Å²	37	44.7 Å²	44.7	20%	0.198	24%	0.235	C	C	.	.	H	α-helix	trans	-62	-42.1	179.8	-78.6	4.8	0	0	0	111.7	F41 I46 M47 Y123	F41-D43 PolarHBondContact O-N 2.78Å; D43-I46 PolarHBondContact O-N 3.16Å; D43-M47 WeakPolarHBondContact O-CB 3.38Å; D43-M47 PolarHBondContact O-N 2.94Å; D43-Y123 HydrophobicContact CB-CE2 4.01Å; D43-Y123 VanDerWaalsContact CB-OH 3.31Å; D43-Y123 WeakPolarHBondContact CB-OH 3.18Å; D43-Y123 PolarHBondContact OD2-OH 2.85Å
44	Y	82.4	Confident	78.2	Confident	29 Å²	29	43 Å²	43	11%	0.114	23%	0.226	C	C	.	.	H	α-helix	trans	-67.2	-38.5	177.1	-89.9	-91.7	0	0	0	112.5	P40 F41 A42 M47 L48 S89 Y123 V126	P40-Y44 WeakPolarHBondContact O-CB 3.27Å; P40-Y44 WeakPolarHBondContact O-CD2 3.41Å; P40-Y44 PolarHBondContact O-N 3.04Å; F41-Y44 PolarHBondContact O-N 3.46Å; A42-Y44 VanDerWaalsContact C-N 3.33Å; A42-Y44 PolarHBondContact O-N 2.68Å; Y44-M47 HydrophobicContact CD1-CE 3.3Å; Y44-M47 HydrophobicContact CE1-CE 3.44Å; Y44-M47 VanDerWaalsContact CE1-CE 3.44Å; Y44-M47 HydrophobicContact CG-CE 3.97Å; Y44-M47 PolarHBondContact O-N 2.87Å; Y44-L48 VanDerWaalsContact O-CB 3.31Å; Y44-L48 WeakPolarHBondContact O-CB 3.12Å; Y44-L48 VanDerWaalsContact O-CG 3.28Å; Y44-L48 WeakPolarHBondContact O-CG 3.29Å; Y44-L48 PolarHBondContact O-N 3.16Å; Y44-S89 VanDerWaalsContact CD2-OG 3.25Å; Y44-S89 WeakPolarHBondContact CD2-OG 3.4Å; Y44-S89 VanDerWaalsContact CE2-CB 3.48Å; Y44-Y123 HydrophobicContact CD2-CD2 4.23Å; Y44-Y123 HydrophobicContact CD2-CE2 4.13Å; Y44-Y123 AromaticContact CE2-CD2 3.51Å; Y44-Y123 HydrophobicContact CE2-CD2 3.51Å; Y44-Y123 AromaticContact CE2-CE2 3.87Å; Y44-Y123 HydrophobicContact CE2-CE2 3.87Å; Y44-V126 HydrophobicContact CE1-CG1 4.04Å
45	V	80.3	Confident	78.5	Confident	40 Å²	40	41.8 Å²	41.8	24%	0.242	22%	0.218	C	C	.	.	H	α-helix	trans	-61.1	-47.5	174.3	171.2	0	0	0	0	110.4	F41 A42 M47 L48 T49 I82 A86	F41-V45 HydrophobicContact CD1-CG2 4.02Å; F41-V45 HydrophobicContact CE1-CG2 3.69Å; F41-V45 HydrophobicContact CE2-CG2 4.48Å; F41-V45 HydrophobicContact CZ-CG2 3.95Å; F41-V45 WeakPolarHBondContact O-CG2 3.19Å; F41-V45 PolarHBondContact O-N 3Å; A42-V45 PolarHBondContact O-N 3.17Å; V45-M47 VanDerWaalsContact C-N 3.34Å; V45-M47 PolarHBondContact O-N 3.44Å; V45-L48 PolarHBondContact O-N 3.27Å; V45-T49 HydrophobicContact CG1-CG2 4.23Å; V45-T49 VanDerWaalsContact O-CB 3.32Å; V45-T49 WeakPolarHBondContact O-CB 3.33Å; V45-T49 WeakPolarHBondContact O-CG2 3.24Å; V45-T49 PolarHBondContact O-N 3.46Å; V45-T49 PolarHBondContact O-OG1 2.86Å; V45-I82 HydrophobicContact CB-CG2 4.44Å; V45-I82 HydrophobicContact CG1-CG2 4.33Å; V45-I82 HydrophobicContact CG2-CG2 4.25Å; V45-A86 HydrophobicContact CG2-CB 3.68Å
46	I	80.5	Confident	78.9	Confident	83 Å²	83	40.1 Å²	40.1	43%	0.426	21%	0.211	S	C	.	.	H	α-helix	trans	-62.6	-44.5	179.2	-66.8	166.9	0	0	0	110.6	A42 D43 T49 S50 Y182	A42-I46 WeakPolarHBondContact O-CG1 3.37Å; A42-I46 PolarHBondContact O-N 3.12Å; D43-I46 PolarHBondContact O-N 3.16Å; I46-T49 WeakPolarHBondContact CA-OG1 3.38Å; I46-T49 PolarHBondContact O-OG1 3.5Å; I46-S50 WeakPolarHBondContact O-CB 3.15Å; I46-S50 PolarHBondContact O-N 2.95Å; I46-Y182 HydrophobicContact CG2-CE2 4.25Å
47	M	82.2	Confident	79.1	Confident	6 Å²	6	41.7 Å²	41.7	3%	0.03	22%	0.223	C	C	.	.	H	α-helix	trans	-63.5	-47.3	-179.8	179.7	177.8	67.9	0	0	112.3	D43 Y44 V45 S50 L51 V126 S127 V130	D43-M47 WeakPolarHBondContact O-CB 3.38Å; D43-M47 PolarHBondContact O-N 2.94Å; Y44-M47 HydrophobicContact CD1-CE 3.3Å; Y44-M47 HydrophobicContact CE1-CE 3.44Å; Y44-M47 VanDerWaalsContact CE1-CE 3.44Å; Y44-M47 HydrophobicContact CG-CE 3.97Å; Y44-M47 PolarHBondContact O-N 2.87Å; V45-M47 VanDerWaalsContact C-N 3.34Å; V45-M47 PolarHBondContact O-N 3.44Å; M47-S50 PolarHBondContact O-N 3.03Å; M47-L51 PolarHBondContact O-N 2.83Å; M47-V126 HydrophobicContact CE-CG1 3.75Å; M47-V126 HydrophobicContact SD-CG1 4.42Å; M47-S127 WeakPolarHBondContact SD-CA 2.95Å; M47-V130 HydrophobicContact CE-CG2 4.45Å; M47-V130 HydrophobicContact CG-CB 3.96Å; M47-V130 HydrophobicContact CG-CG1 3.54Å; M47-V130 HydrophobicContact CG-CG2 4.4Å; M47-V130 HydrophobicContact SD-CB 4.07Å; M47-V130 HydrophobicContact SD-CG1 4.31Å; M47-V130 HydrophobicContact SD-CG2 4.23Å
48	L	85.3	Confident	79.5	Confident	33 Å²	33	37.6 Å²	37.6	17%	0.173	21%	0.205	C	C	.	.	H	α-helix	trans	-72.7	-36.4	-178.5	-69.4	173.4	0	0	0	112.5	Y44 V45 S50 L51 L52 I82 A85	Y44-L48 VanDerWaalsContact O-CB 3.31Å; Y44-L48 WeakPolarHBondContact O-CB 3.12Å; Y44-L48 VanDerWaalsContact O-CG 3.28Å; Y44-L48 WeakPolarHBondContact O-CG 3.29Å; Y44-L48 PolarHBondContact O-N 3.16Å; V45-L48 PolarHBondContact O-N 3.27Å; L48-S50 VanDerWaalsContact C-N 3.34Å; L48-L51 PolarHBondContact O-N 3.34Å; L48-L52 WeakPolarHBondContact O-CB 3.1Å; L48-L52 WeakPolarHBondContact O-CG 3.49Å; L48-L52 PolarHBondContact O-N 3.39Å; L48-I82 HydrophobicContact CB-CG1 4.34Å; L48-I82 HydrophobicContact CB-CG2 4.08Å; L48-I82 HydrophobicContact CD1-CG2 4.36Å; L48-A85 HydrophobicContact CD1-CB 3.63Å
49	T	83	Confident	79.9	Confident	57 Å²	57	39 Å²	39	35%	0.35	21%	0.208	S	C	.	.	H	α-helix	trans	-63.6	-41	173.5	50.2	0	0	0	0	111.3	V45 I46 L52 S53 I82	V45-T49 HydrophobicContact CG1-CG2 4.23Å; V45-T49 VanDerWaalsContact O-CB 3.32Å; V45-T49 WeakPolarHBondContact O-CB 3.33Å; V45-T49 WeakPolarHBondContact O-CG2 3.24Å; V45-T49 PolarHBondContact O-N 3.46Å; V45-T49 PolarHBondContact O-OG1 2.86Å; I46-T49 WeakPolarHBondContact CA-OG1 3.38Å; I46-T49 PolarHBondContact O-OG1 3.5Å; T49-L52 PolarHBondContact O-N 2.92Å; T49-S53 PolarHBondContact O-N 3.45Å; T49-I82 HydrophobicContact CG2-CD1 3.62Å; T49-I82 HydrophobicContact CG2-CG2 4.47Å
50	S	82.3	Confident	80.2	Confident	29 Å²	29	37.1 Å²	37.1	20%	0.203	21%	0.206	C	C	.	.	H	α-helix	trans	-62.8	-43.1	174.6	-178.6	0	0	0	0	112.5	I46 M47 L48 S54	I46-S50 WeakPolarHBondContact O-CB 3.15Å; I46-S50 PolarHBondContact O-N 2.95Å; M47-S50 PolarHBondContact O-N 3.03Å; L48-S50 VanDerWaalsContact C-N 3.34Å; S50-S54 PolarHBondContact O-N 2.71Å; S50-S54 VanDerWaalsContact O-N 3.11Å; S50-S54 PolarHBondContact O-OG 3.23Å
51	L	84.9	Confident	80.4	Confident	34 Å²	34	39 Å²	39	18%	0.178	22%	0.218	C	C	.	.	H	α-helix	trans	-60.6	-50.3	175.1	178.2	61.7	0	0	0	111.8	M47 L48 S53 S54 V55 V130 T133 S134 L137	M47-L51 PolarHBondContact O-N 2.83Å; L48-L51 PolarHBondContact O-N 3.34Å; L51-S53 VanDerWaalsContact C-N 3.32Å; L51-S53 PolarHBondContact O-N 2.63Å; L51-S54 WeakPolarHBondContact O-CA 3.47Å; L51-S54 WeakPolarHBondContact O-CB 3.14Å; L51-S54 PolarHBondContact O-N 3.08Å; L51-V55 HydrophobicContact CD1-CG2 4.44Å; L51-V55 WeakPolarHBondContact O-CG2 3.36Å; L51-V55 PolarHBondContact O-N 3.22Å; L51-V130 HydrophobicContact CB-CG1 3.75Å; L51-V130 HydrophobicContact CD1-CG1 4.32Å; L51-V130 HydrophobicContact CD2-CG1 3.95Å; L51-V130 HydrophobicContact CD2-CG2 4.37Å; L51-V130 HydrophobicContact CG-CG1 4.21Å; L51-T133 HydrophobicContact CD1-CG2 3.94Å; L51-S134 WeakPolarHBondContact CA-OG 3.5Å; L51-S134 WeakPolarHBondContact CD1-OG 3.29Å; L51-L137 HydrophobicContact CD1-CD1 4.41Å
52	L	84.3	Confident	80.4	Confident	47 Å²	47	40.3 Å²	40.3	25%	0.246	23%	0.227	C	C	.	.	H	α-helix	trans	-61.2	-42.1	-176.9	-79.9	165.6	0	0	0	111.8	L48 T49 S54 V55 D56 F70 I78 I82	L48-L52 WeakPolarHBondContact O-CB 3.1Å; L48-L52 WeakPolarHBondContact O-CG 3.49Å; L48-L52 PolarHBondContact O-N 3.39Å; T49-L52 PolarHBondContact O-N 2.92Å; L52-S54 VanDerWaalsContact C-N 3.28Å; L52-S54 PolarHBondContact O-N 3.48Å; L52-V55 WeakPolarHBondContact O-CB 3.46Å; L52-V55 PolarHBondContact O-N 3.12Å; L52-V55 VanDerWaalsContact O-N 3.16Å; L52-D56 PolarHBondContact O-N 2.94Å; L52-F70 HydrophobicContact CB-CE2 3.96Å; L52-F70 HydrophobicContact CB-CZ 3.69Å; L52-F70 HydrophobicContact CD2-CE1 4.29Å; L52-F70 HydrophobicContact CD2-CZ 3.77Å; L52-F70 HydrophobicContact CG-CZ 4.31Å; L52-F70 WeakPolarHBondContact O-CE2 3.41Å; L52-F70 VanDerWaalsContact O-CZ 3.24Å; L52-F70 WeakPolarHBondContact O-CZ 3.21Å; L52-I78 HydrophobicContact CD1-CG2 3.51Å; L52-I78 HydrophobicContact CD2-CG2 4.29Å; L52-I78 HydrophobicContact CG-CG2 4.43Å; L52-I82 HydrophobicContact CD1-CD1 3.3Å; L52-I82 HydrophobicContact CD1-CG1 3.42Å; L52-I82 VanDerWaalsContact CD1-CG1 3.42Å
53	S	82.3	Confident	80.4	Confident	37 Å²	37	45.1 Å²	45.1	26%	0.259	24%	0.24	S	C	.	.	H	α-helix	trans	-67.4	-30.4	175.6	177.5	0	0	0	0	112.8	T49 L51 V55 D56 C57 W175	T49-S53 PolarHBondContact O-N 3.45Å; L51-S53 VanDerWaalsContact C-N 3.32Å; L51-S53 PolarHBondContact O-N 2.63Å; S53-V55 VanDerWaalsContact C-N 3.35Å; S53-D56 PolarHBondContact O-N 3.03Å; S53-C57 WeakPolarHBondContact O-CB 3.42Å; S53-C57 PolarHBondContact O-N 3.3Å; S53-W175 VanDerWaalsContact CB-CH2 3.42Å; S53-W175 WeakPolarHBondContact OG-CH2 3.4Å; S53-W175 WeakPolarHBondContact OG-CZ2 3.28Å
54	S	81.4	Confident	79.6	Confident	1 Å²	1	49.6 Å²	49.6	1%	0.007	26%	0.257	C	S	.	.	H	α-helix	trans	-66.1	-39	171.2	-54.3	0	0	0	0	111.5	S50 L51 L52 A58 S134	S50-S54 PolarHBondContact O-N 2.71Å; S50-S54 VanDerWaalsContact O-N 3.11Å; S50-S54 PolarHBondContact O-OG 3.23Å; L51-S54 WeakPolarHBondContact O-CA 3.47Å; L51-S54 WeakPolarHBondContact O-CB 3.14Å; L51-S54 PolarHBondContact O-N 3.08Å; L52-S54 VanDerWaalsContact C-N 3.28Å; L52-S54 PolarHBondContact O-N 3.48Å; S54-A58 WeakPolarHBondContact O-CB 3.34Å; S54-A58 PolarHBondContact O-N 3.17Å; S54-S134 WeakPolarHBondContact OG-CB 3.38Å
55	V	83.5	Confident	78.2	Confident	47 Å²	47	57.4 Å²	57.4	29%	0.285	30%	0.295	S	S	.	.	H	α-helix	trans	-64	-46.7	174.6	173	0	0	0	0	111.4	L51 L52 S53 A58 W59 L69 L137	L51-V55 HydrophobicContact CD1-CG2 4.44Å; L51-V55 WeakPolarHBondContact O-CG2 3.36Å; L51-V55 PolarHBondContact O-N 3.22Å; L52-V55 WeakPolarHBondContact O-CB 3.46Å; L52-V55 PolarHBondContact O-N 3.12Å; L52-V55 VanDerWaalsContact O-N 3.16Å; S53-V55 VanDerWaalsContact C-N 3.35Å; V55-A58 PolarHBondContact O-N 3.45Å; V55-W59 VanDerWaalsContact O-CB 3.29Å; V55-W59 WeakPolarHBondContact O-CB 3.33Å; V55-W59 PolarHBondContact O-N 3.25Å; V55-L69 HydrophobicContact CG1-CD2 3.78Å; V55-L137 HydrophobicContact CB-CD1 4.37Å; V55-L137 HydrophobicContact CG2-CD1 3.49Å; V55-L137 VanDerWaalsContact CG2-CD1 3.49Å
56	D	80.5	Confident	76.7	Confident	31 Å²	31	63.5 Å²	63.5	17%	0.166	31%	0.313	C	S	.	.	H	α-helix	trans	-65.8	-38.8	179.5	-177.3	61.8	0	0	0	112.3	L52 S53 W59 T60 L69 F70	L52-D56 PolarHBondContact O-N 2.94Å; S53-D56 PolarHBondContact O-N 3.03Å; D56-W59 PolarHBondContact O-N 3.45Å; D56-T60 VanDerWaalsContact O-CB 3.29Å; D56-T60 WeakPolarHBondContact O-CB 3.32Å; D56-T60 PolarHBondContact O-N 3.2Å; D56-T60 PolarHBondContact O-OG1 3.19Å; D56-L69 WeakPolarHBondContact OD1-CA 3.22Å; D56-L69 VanDerWaalsContact OD1-CB 3.29Å; D56-L69 WeakPolarHBondContact OD1-CB 3.43Å; D56-L69 PolarHBondContact OD1-N 3.46Å; D56-F70 HydrophobicContact CB-CD2 3.41Å; D56-F70 VanDerWaalsContact CB-CD2 3.41Å; D56-F70 HydrophobicContact CB-CE2 3.31Å; D56-F70 HydrophobicContact CB-CG 4.1Å; D56-F70 HydrophobicContact CB-CZ 3.89Å; D56-F70 VanDerWaalsContact CG-CD2 3.49Å; D56-F70 PolarHBondContact OD1-N 3.06Å; D56-F70 VanDerWaalsContact OD1-N 3.1Å
57	C	78.9	Confident	75.7	Confident	47 Å²	47	68.4 Å²	68.4	32%	0.318	33%	0.331	S	S	.	.	H	α-helix	trans	-58.4	-53.1	170.8	179	0	0	0	0	111.5	S53 W59 T60 V61 L138	S53-C57 WeakPolarHBondContact O-CB 3.42Å; S53-C57 PolarHBondContact O-N 3.3Å; C57-W59 VanDerWaalsContact C-N 3.35Å; C57-W59 PolarHBondContact O-N 3.1Å; C57-T60 PolarHBondContact O-N 3.25Å; C57-V61 WeakPolarHBondContact O-CB 3.17Å; C57-V61 VanDerWaalsContact O-CG2 3.31Å; C57-V61 WeakPolarHBondContact O-CG2 3.29Å; C57-V61 PolarHBondContact O-N 3.37Å; C57-L138 HydrophobicContact CB-CD2 4.43Å
58	A	79.5	Confident	74.9	Confident	4 Å²	4	70 Å²	70	3%	0.033	35%	0.346	C	S	.	.	H	α-helix	trans	-61.7	-41.9	179.7	0	0	0	0	0	112.6	S54 V55 T60 L62 L137 S141	S54-A58 WeakPolarHBondContact O-CB 3.34Å; S54-A58 PolarHBondContact O-N 3.17Å; V55-A58 PolarHBondContact O-N 3.45Å; A58-T60 PolarHBondContact O-N 3.47Å; A58-L62 HydrophobicContact CB-CD1 4.32Å; A58-L62 WeakPolarHBondContact O-CB 3.28Å; A58-L62 VanDerWaalsContact O-CG 3.26Å; A58-L62 WeakPolarHBondContact O-CG 3.38Å; A58-L62 PolarHBondContact O-N 3.19Å; A58-L137 HydrophobicContact CB-CB 4.11Å; A58-L137 HydrophobicContact CB-CD2 3.95Å; A58-S141 WeakPolarHBondContact CA-OG 3.27Å; A58-S141 WeakPolarHBondContact CB-OG 3.27Å; A58-S141 PolarHBondContact N-OG 3.4Å
59	W	80.5	Confident	74	Confident	77 Å²	77	71.3 Å²	71.3	29%	0.292	35%	0.352	S	S	.	.	H	α-helix	trans	-59.1	-48.5	176.3	179.9	-94.2	0	0	0	112.1	V55 D56 C57 R63 L69	V55-W59 VanDerWaalsContact O-CB 3.29Å; V55-W59 WeakPolarHBondContact O-CB 3.33Å; V55-W59 PolarHBondContact O-N 3.25Å; D56-W59 PolarHBondContact O-N 3.45Å; C57-W59 VanDerWaalsContact C-N 3.35Å; C57-W59 PolarHBondContact O-N 3.1Å; W59-R63 VanDerWaalsContact CH2-CZ 3.47Å; W59-R63 WeakPolarHBondContact O-CB 3.45Å; W59-R63 PolarHBondContact O-N 2.65Å; W59-R63 VanDerWaalsContact O-N 3.16Å; W59-L69 HydrophobicContact CB-CB 4.23Å; W59-L69 HydrophobicContact CD2-CB 4.48Å; W59-L69 HydrophobicContact CD2-CD1 4.01Å; W59-L69 HydrophobicContact CE3-CD1 4.46Å; W59-L69 HydrophobicContact CG-CB 3.89Å; W59-L69 HydrophobicContact CG-CD1 4.3Å; W59-L69 HydrophobicContact CG-CG 4.49Å; W59-L69 HydrophobicContact CZ2-CD1 4.15Å
60	T	74.8	Confident	73.2	Confident	56 Å²	56	70.6 Å²	70.6	34%	0.344	35%	0.345	S	S	.	.	H	α-helix	trans	-67.8	-38.7	-175.7	-57.6	0	0	0	0	111.6	D56 C57 A58	D56-T60 VanDerWaalsContact O-CB 3.29Å; D56-T60 WeakPolarHBondContact O-CB 3.32Å; D56-T60 PolarHBondContact O-N 3.2Å; D56-T60 PolarHBondContact O-OG1 3.19Å; C57-T60 PolarHBondContact O-N 3.25Å; A58-T60 PolarHBondContact O-N 3.47Å
61	V	75.5	Confident	72.7	Confident	42 Å²	42	72.2 Å²	72.2	26%	0.255	35%	0.351	S	S	.	.	H	α-helix	trans	-78.7	-43.9	-178.2	174.3	0	0	0	0	112.2	C57 S141	C57-V61 WeakPolarHBondContact O-CB 3.17Å; C57-V61 VanDerWaalsContact O-CG2 3.31Å; C57-V61 WeakPolarHBondContact O-CG2 3.29Å; C57-V61 PolarHBondContact O-N 3.37Å; V61-S141 VanDerWaalsContact CG1-O 3.23Å; V61-S141 WeakPolarHBondContact CG1-O 3.28Å
62	L	75.5	Confident	72	Confident	84 Å²	84	79.2 Å²	79.2	44%	0.44	38%	0.383	S	S	.	.	H	α-helix	trans	-77.4	-29.8	-174.4	-66.3	171	0	0	0	112.9	A58 K64 L140	A58-L62 HydrophobicContact CB-CD1 4.32Å; A58-L62 WeakPolarHBondContact O-CB 3.28Å; A58-L62 VanDerWaalsContact O-CG 3.26Å; A58-L62 WeakPolarHBondContact O-CG 3.38Å; A58-L62 PolarHBondContact O-N 3.19Å; L62-K64 PolarHBondContact O-N 3.17Å; L62-L140 HydrophobicContact CD1-CB 4.33Å
63	R	74.4	Confident	71.6	Confident	126 Å²	126	83.1 Å²	83.1	48%	0.475	40%	0.404	S	S	.	.	S	Bend	trans	-97.5	85.2	173	-68.5	-170.3	171.8	-166.6	-2.1	109.6	W59 H65 R66	W59-R63 VanDerWaalsContact CH2-CZ 3.47Å; W59-R63 WeakPolarHBondContact O-CB 3.45Å; W59-R63 PolarHBondContact O-N 2.65Å; W59-R63 VanDerWaalsContact O-N 3.16Å; R63-H65 PolarHBondContact O-N 3.18Å; R63-R66 PolarHBondContact O-N 3.31Å
64	K	60.1	Low	71.5	Confident	131 Å²	131	85 Å²	85	57%	0.57	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-32.3	112.5	170.5	-77.5	-174.9	176.7	-176.7	0	110.6	L62 C148	L62-K64 PolarHBondContact O-N 3.17Å; K64-C148 WeakPolarHBondContact CE-SG 3.45Å
65	H	53.6	Low	71.2	Confident	194 Å²	194	90.5 Å²	90.5	90%	0.898	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.4	35.7	171	-65.1	-76.7	0	0	0	119	R63	R63-H65 PolarHBondContact O-N 3.18Å
66	R	48.8	Very low	70.8	Confident	168 Å²	168	92 Å²	92	63%	0.634	45%	0.448	S	S	*	.			trans	-105.1	149.2	159.4	-79.3	-167.5	178.2	-163.8	1.8	112.7	R63	R63-R66 PolarHBondContact O-N 3.31Å
67	K	59.1	Low	70.9	Confident	185 Å²	185	99.6 Å²	99.6	80%	0.804	47%	0.474	S	S	*	.			trans	-48.4	146	169.6	-64.9	-178.4	179	-177.8	0	109.3	L69	K67-L69 PolarHBondContact O-N 3.09Å
68	A	63.8	Low	71	Confident	41 Å²	41	98.9 Å²	98.9	34%	0.339	47%	0.467	S	S	.	.			trans	-44.2	141.5	172.3	0	0	0	0	0	110.4	F70	A68-F70 VanDerWaalsContact CB-O 3.3Å; A68-F70 WeakPolarHBondContact CB-O 3.26Å; A68-F70 PolarHBondContact O-N 2.91Å
69	L	66.6	Low	71	Confident	59 Å²	59	102.5 Å²	102.5	31%	0.309	49%	0.485	S	S	.	.	S	Bend	trans	-57.6	-34.2	175.7	-174.8	68	0	0	0	109.3	V55 D56 W59 K67	V55-L69 HydrophobicContact CG1-CD2 3.78Å; D56-L69 WeakPolarHBondContact OD1-CA 3.22Å; D56-L69 VanDerWaalsContact OD1-CB 3.29Å; D56-L69 WeakPolarHBondContact OD1-CB 3.43Å; D56-L69 PolarHBondContact OD1-N 3.46Å; W59-L69 HydrophobicContact CB-CB 4.23Å; W59-L69 HydrophobicContact CD2-CB 4.48Å; W59-L69 HydrophobicContact CD2-CD1 4.01Å; W59-L69 HydrophobicContact CE3-CD1 4.46Å; W59-L69 HydrophobicContact CG-CB 3.89Å; W59-L69 HydrophobicContact CG-CD1 4.3Å; W59-L69 HydrophobicContact CG-CG 4.49Å; W59-L69 HydrophobicContact CZ2-CD1 4.15Å; K67-L69 PolarHBondContact O-N 3.09Å
70	F	68	Low	71.1	Confident	43 Å²	43	102.4 Å²	102.4	19%	0.189	49%	0.493	C	S	.	.			trans	-93.9	114.5	173.7	-52.3	-25.7	0	0	0	110.4	L52 D56 A68 I78	L52-F70 HydrophobicContact CB-CE2 3.96Å; L52-F70 HydrophobicContact CB-CZ 3.69Å; L52-F70 HydrophobicContact CD2-CE1 4.29Å; L52-F70 HydrophobicContact CD2-CZ 3.77Å; L52-F70 HydrophobicContact CG-CZ 4.31Å; L52-F70 WeakPolarHBondContact O-CE2 3.41Å; L52-F70 VanDerWaalsContact O-CZ 3.24Å; L52-F70 WeakPolarHBondContact O-CZ 3.21Å; D56-F70 HydrophobicContact CB-CD2 3.41Å; D56-F70 VanDerWaalsContact CB-CD2 3.41Å; D56-F70 HydrophobicContact CB-CE2 3.31Å; D56-F70 HydrophobicContact CB-CG 4.1Å; D56-F70 HydrophobicContact CB-CZ 3.89Å; D56-F70 VanDerWaalsContact CG-CD2 3.49Å; D56-F70 PolarHBondContact OD1-N 3.06Å; D56-F70 VanDerWaalsContact OD1-N 3.1Å; A68-F70 VanDerWaalsContact CB-O 3.3Å; A68-F70 WeakPolarHBondContact CB-O 3.26Å; A68-F70 PolarHBondContact O-N 2.91Å; F70-I78 HydrophobicContact CB-CD1 4.48Å; F70-I78 HydrophobicContact CD1-CD1 3.11Å; F70-I78 HydrophobicContact CD1-CG1 4.41Å; F70-I78 HydrophobicContact CE1-CD1 3.42Å; F70-I78 VanDerWaalsContact CE1-CD1 3.42Å; F70-I78 HydrophobicContact CE1-CG1 4.34Å; F70-I78 HydrophobicContact CG-CD1 3.93Å; F70-I78 HydrophobicContact CZ-CD1 4.43Å
71	N	71.2	Confident	71.6	Confident	63 Å²	63	102.3 Å²	102.3	34%	0.337	50%	0.498	S	S	.	.			trans	-120.6	170.5	171.4	63.2	20.1	0	0	0	109.6	N73 N74 F75	N71-N73 PolarHBondContact O-N 3.27Å; N71-N73 VanDerWaalsContact O-N 3.09Å; N71-N73 WeakPolarHBondContact OD1-CB 3.38Å; N71-N73 PolarHBondContact OD1-N 3.24Å; N71-N74 PolarHBondContact O-N 2.88Å; N71-N74 VanDerWaalsContact O-N 3.08Å; N71-N74 WeakPolarHBondContact OD1-CB 3.28Å; N71-N74 PolarHBondContact OD1-N 3.49Å; N71-F75 WeakPolarHBondContact O-CB 3.41Å; N71-F75 PolarHBondContact O-N 3.5Å
72	E	70.5	Confident	72.1	Confident	181 Å²	181	100.9 Å²	100.9	85%	0.846	49%	0.489	S	S	*	.	H	α-helix	trans	-54.8	-30.1	179.3	-65.5	-177.5	168.2	0	0	112.9
73	N	74.8	Confident	72.4	Confident	128 Å²	128	98 Å²	98	68%	0.684	48%	0.479	S	S	*	.	H	α-helix	trans	-73.8	-33	-179.8	-63.2	-7.5	0	0	0	113.3	N71	N71-N73 PolarHBondContact O-N 3.27Å; N71-N73 VanDerWaalsContact O-N 3.09Å; N71-N73 WeakPolarHBondContact OD1-CB 3.38Å; N71-N73 PolarHBondContact OD1-N 3.24Å
74	N	79.8	Confident	73	Confident	78 Å²	78	97.4 Å²	97.4	42%	0.417	48%	0.484	S	S	.	.	H	α-helix	trans	-104.6	-19.7	-173.9	-67.3	-9.7	0	0	0	113.3	N71 S76 W77 I78	N71-N74 PolarHBondContact O-N 2.88Å; N71-N74 VanDerWaalsContact O-N 3.08Å; N71-N74 WeakPolarHBondContact OD1-CB 3.28Å; N71-N74 PolarHBondContact OD1-N 3.49Å; N74-S76 VanDerWaalsContact C-N 3.31Å; N74-S76 PolarHBondContact O-N 2.91Å; N74-W77 PolarHBondContact O-N 3.38Å; N74-W77 VanDerWaalsContact O-N 3.09Å; N74-I78 HydrophobicContact CB-CD1 4.3Å; N74-I78 WeakPolarHBondContact O-CD1 3.36Å; N74-I78 WeakPolarHBondContact O-CG1 3.23Å; N74-I78 PolarHBondContact O-N 3.34Å; N74-I78 VanDerWaalsContact O-N 3.08Å
75	F	75.9	Confident	74.2	Confident	116 Å²	116	93.2 Å²	93.2	51%	0.509	47%	0.474	S	S	.	.	H	α-helix	trans	-54.7	-45.8	-175.6	-177.3	-101.7	0	0	0	112.2	N71 W77 I78 I79	N71-F75 WeakPolarHBondContact O-CB 3.41Å; N71-F75 PolarHBondContact O-N 3.5Å; F75-W77 PolarHBondContact O-N 2.91Å; F75-I78 PolarHBondContact O-N 3.42Å; F75-I79 HydrophobicContact CD1-CG1 4.22Å; F75-I79 HydrophobicContact CE1-CD1 4.34Å; F75-I79 HydrophobicContact CE1-CG1 3.83Å; F75-I79 HydrophobicContact CE2-CD1 4.32Å; F75-I79 HydrophobicContact CE2-CG1 4.38Å; F75-I79 HydrophobicContact CZ-CD1 3.93Å; F75-I79 HydrophobicContact CZ-CG1 3.92Å; F75-I79 WeakPolarHBondContact O-CG1 3.37Å; F75-I79 PolarHBondContact O-N 3.08Å
76	S	75	Confident	75.7	Confident	79 Å²	79	84 Å²	84	55%	0.552	43%	0.431	S	S	*	.	H	α-helix	trans	-59.6	-43.3	177.6	-59.2	0	0	0	0	112.5	N74 I78 I79 V80	N74-S76 VanDerWaalsContact C-N 3.31Å; N74-S76 PolarHBondContact O-N 2.91Å; S76-I78 VanDerWaalsContact C-N 3.3Å; S76-I78 PolarHBondContact O-N 3.37Å; S76-I79 PolarHBondContact O-N 2.71Å; S76-V80 VanDerWaalsContact O-CG2 3.29Å; S76-V80 WeakPolarHBondContact O-CG2 3.36Å; S76-V80 PolarHBondContact O-N 3.06Å
77	W	83.2	Confident	77.4	Confident	189 Å²	189	79.4 Å²	79.4	72%	0.716	42%	0.422	S	S	*	.	H	α-helix	trans	-64.4	-34.7	177.7	-76.1	112.7	0	0	0	112.8	N74 F75 V80 A81	N74-W77 PolarHBondContact O-N 3.38Å; N74-W77 VanDerWaalsContact O-N 3.09Å; F75-W77 PolarHBondContact O-N 2.91Å; W77-V80 PolarHBondContact O-N 3.07Å; W77-A81 WeakPolarHBondContact O-CB 3.29Å; W77-A81 PolarHBondContact O-N 3.37Å
78	I	81.6	Confident	78.7	Confident	33 Å²	33	73.5 Å²	73.5	17%	0.169	41%	0.407	C	S	.	.	H	α-helix	trans	-69.8	-45.3	177.4	-67.6	155.8	0	0	0	110.8	L52 F70 N74 F75 S76 V80 A81 I82	L52-I78 HydrophobicContact CD1-CG2 3.51Å; L52-I78 HydrophobicContact CD2-CG2 4.29Å; L52-I78 HydrophobicContact CG-CG2 4.43Å; F70-I78 HydrophobicContact CB-CD1 4.48Å; F70-I78 HydrophobicContact CD1-CD1 3.11Å; F70-I78 HydrophobicContact CD1-CG1 4.41Å; F70-I78 HydrophobicContact CE1-CD1 3.42Å; F70-I78 VanDerWaalsContact CE1-CD1 3.42Å; F70-I78 HydrophobicContact CE1-CG1 4.34Å; F70-I78 HydrophobicContact CG-CD1 3.93Å; F70-I78 HydrophobicContact CZ-CD1 4.43Å; N74-I78 HydrophobicContact CB-CD1 4.3Å; N74-I78 WeakPolarHBondContact O-CD1 3.36Å; N74-I78 WeakPolarHBondContact O-CG1 3.23Å; N74-I78 PolarHBondContact O-N 3.34Å; N74-I78 VanDerWaalsContact O-N 3.08Å; F75-I78 PolarHBondContact O-N 3.42Å; S76-I78 VanDerWaalsContact C-N 3.3Å; S76-I78 PolarHBondContact O-N 3.37Å; I78-V80 VanDerWaalsContact C-N 3.26Å; I78-V80 PolarHBondContact O-N 2.83Å; I78-A81 WeakPolarHBondContact O-CB 3.28Å; I78-A81 PolarHBondContact O-N 3.35Å; I78-A81 VanDerWaalsContact O-N 3.12Å; I78-I82 HydrophobicContact CG2-CD1 4.27Å; I78-I82 WeakPolarHBondContact O-CG1 3.23Å; I78-I82 PolarHBondContact O-N 3.34Å
79	I	78.5	Confident	79.7	Confident	80 Å²	80	72 Å²	72	41%	0.41	40%	0.395	S	S	.	.	H	α-helix	trans	-59.9	-40.6	175.3	-64.4	-61.4	0	0	0	110.7	F75 S76 I82 G83	F75-I79 HydrophobicContact CD1-CG1 4.22Å; F75-I79 HydrophobicContact CE1-CD1 4.34Å; F75-I79 HydrophobicContact CE1-CG1 3.83Å; F75-I79 HydrophobicContact CE2-CD1 4.32Å; F75-I79 HydrophobicContact CE2-CG1 4.38Å; F75-I79 HydrophobicContact CZ-CD1 3.93Å; F75-I79 HydrophobicContact CZ-CG1 3.92Å; F75-I79 WeakPolarHBondContact O-CG1 3.37Å; F75-I79 PolarHBondContact O-N 3.08Å; S76-I79 PolarHBondContact O-N 2.71Å; I79-I82 HydrophobicContact CD1-CD1 4.3Å; I79-I82 PolarHBondContact O-N 3.27Å; I79-G83 PolarHBondContact O-N 2.92Å
80	V	83.4	Confident	80.6	Confident	74 Å²	74	70 Å²	70	45%	0.448	39%	0.385	S	S	.	.	H	α-helix	trans	-61.3	-45.4	173.4	170.5	0	0	0	0	111.2	S76 W77 I78 I82 G83 I84	S76-V80 VanDerWaalsContact O-CG2 3.29Å; S76-V80 WeakPolarHBondContact O-CG2 3.36Å; S76-V80 PolarHBondContact O-N 3.06Å; W77-V80 PolarHBondContact O-N 3.07Å; I78-V80 VanDerWaalsContact C-N 3.26Å; I78-V80 PolarHBondContact O-N 2.83Å; V80-I82 PolarHBondContact O-N 2.99Å; V80-G83 PolarHBondContact O-N 3.1Å; V80-G83 VanDerWaalsContact O-N 3.14Å; V80-I84 HydrophobicContact CG1-CD1 3.88Å; V80-I84 HydrophobicContact CG1-CG1 4.43Å; V80-I84 WeakPolarHBondContact O-CG1 3.09Å; V80-I84 PolarHBondContact O-N 2.77Å
81	A	84.5	Confident	81.5	Confident	55 Å²	55	71.5 Å²	71.5	46%	0.455	40%	0.397	S	S	.	.	H	α-helix	trans	-62.1	-40.6	177.9	0	0	0	0	0	112.8	W77 I78 G83 I84 A85	W77-A81 WeakPolarHBondContact O-CB 3.29Å; W77-A81 PolarHBondContact O-N 3.37Å; I78-A81 WeakPolarHBondContact O-CB 3.28Å; I78-A81 PolarHBondContact O-N 3.35Å; I78-A81 VanDerWaalsContact O-N 3.12Å; A81-G83 VanDerWaalsContact C-N 3.34Å; A81-I84 PolarHBondContact O-N 2.76Å; A81-A85 WeakPolarHBondContact O-CB 3.46Å; A81-A85 PolarHBondContact O-N 3.15Å
82	I	85.4	Confident	82.3	Confident	12 Å²	12	70.8 Å²	70.8	6%	0.062	40%	0.397	C	S	.	.	H	α-helix	trans	-61.1	-45.7	172.7	-63.9	169.3	0	0	0	110.1	V45 L48 T49 L52 I78 I79 V80 I84 A85 A86	V45-I82 HydrophobicContact CB-CG2 4.44Å; V45-I82 HydrophobicContact CG1-CG2 4.33Å; V45-I82 HydrophobicContact CG2-CG2 4.25Å; L48-I82 HydrophobicContact CB-CG1 4.34Å; L48-I82 HydrophobicContact CB-CG2 4.08Å; L48-I82 HydrophobicContact CD1-CG2 4.36Å; T49-I82 HydrophobicContact CG2-CD1 3.62Å; T49-I82 HydrophobicContact CG2-CG2 4.47Å; L52-I82 HydrophobicContact CD1-CD1 3.3Å; L52-I82 HydrophobicContact CD1-CG1 3.42Å; L52-I82 VanDerWaalsContact CD1-CG1 3.42Å; I78-I82 HydrophobicContact CG2-CD1 4.27Å; I78-I82 WeakPolarHBondContact O-CG1 3.23Å; I78-I82 PolarHBondContact O-N 3.34Å; I79-I82 HydrophobicContact CD1-CD1 4.3Å; I79-I82 PolarHBondContact O-N 3.27Å; V80-I82 PolarHBondContact O-N 2.99Å; I82-I84 VanDerWaalsContact C-N 3.33Å; I82-I84 PolarHBondContact O-N 2.94Å; I82-A85 PolarHBondContact O-N 3.49Å; I82-A86 WeakPolarHBondContact O-CB 3.49Å; I82-A86 PolarHBondContact O-N 3.27Å
83	G	82.4	Confident	83	Confident	22 Å²	22	62.2 Å²	62.2	23%	0.227	36%	0.357	C	S	.	.	H	α-helix	trans	-58.2	-44.2	177.4	0	0	0	0	0	112.2	I79 V80 A81 T87	I79-G83 PolarHBondContact O-N 2.92Å; V80-G83 PolarHBondContact O-N 3.1Å; V80-G83 VanDerWaalsContact O-N 3.14Å; A81-G83 VanDerWaalsContact C-N 3.34Å; G83-T87 WeakPolarHBondContact O-CB 3.13Å; G83-T87 PolarHBondContact O-N 2.98Å; G83-T87 PolarHBondContact O-OG1 3.31Å
84	I	87.5	Confident	83.5	Confident	114 Å²	114	57.9 Å²	57.9	59%	0.585	34%	0.335	S	S	*	.	H	α-helix	trans	-62.7	-48.1	176.6	-68.1	167.2	0	0	0	110.7	V80 A81 I82 A86 T87 A88	V80-I84 HydrophobicContact CG1-CD1 3.88Å; V80-I84 HydrophobicContact CG1-CG1 4.43Å; V80-I84 WeakPolarHBondContact O-CG1 3.09Å; V80-I84 PolarHBondContact O-N 2.77Å; A81-I84 PolarHBondContact O-N 2.76Å; I82-I84 VanDerWaalsContact C-N 3.33Å; I82-I84 PolarHBondContact O-N 2.94Å; I84-A86 PolarHBondContact O-N 2.94Å; I84-T87 PolarHBondContact O-N 3.12Å; I84-A88 PolarHBondContact O-N 3.45Å
85	A	85.7	Confident	83.9	Confident	44 Å²	44	58.3 Å²	58.3	36%	0.364	34%	0.337	S	S	.	.	H	α-helix	trans	-63.8	-41.3	179.9	0	0	0	0	0	112.5	L48 A81 I82 T87 A88 S89	L48-A85 HydrophobicContact CD1-CB 3.63Å; A81-A85 WeakPolarHBondContact O-CB 3.46Å; A81-A85 PolarHBondContact O-N 3.15Å; I82-A85 PolarHBondContact O-N 3.49Å; A85-T87 VanDerWaalsContact C-N 3.34Å; A85-A88 PolarHBondContact O-N 3.18Å; A85-S89 PolarHBondContact O-N 2.88Å
86	A	84.8	Confident	84.4	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-67.4	-35.2	174.8	0	0	0	0	0	111.9	F41 V45 I82 I84 A88 S89 V90	F41-A86 HydrophobicContact CD2-CB 3.61Å; F41-A86 HydrophobicContact CE2-CB 3.59Å; F41-A86 HydrophobicContact CG-CB 4.31Å; F41-A86 HydrophobicContact CZ-CB 4.28Å; V45-A86 HydrophobicContact CG2-CB 3.68Å; I82-A86 WeakPolarHBondContact O-CB 3.49Å; I82-A86 PolarHBondContact O-N 3.27Å; I84-A86 PolarHBondContact O-N 2.94Å; A86-A88 VanDerWaalsContact C-N 3.34Å; A86-S89 PolarHBondContact O-N 2.82Å; A86-S89 PolarHBondContact O-OG 2.03Å; A86-V90 WeakPolarHBondContact O-CG2 3.26Å; A86-V90 PolarHBondContact O-N 3.04Å
87	T	84.4	Confident	84.9	Confident	72 Å²	72	50.5 Å²	50.5	44%	0.442	29%	0.294	S	S	.	.	H	α-helix	trans	-65.9	-39.1	174.7	-56	0	0	0	0	111.1	G83 I84 A85 S89 V90 V91	G83-T87 WeakPolarHBondContact O-CB 3.13Å; G83-T87 PolarHBondContact O-N 2.98Å; G83-T87 PolarHBondContact O-OG1 3.31Å; I84-T87 PolarHBondContact O-N 3.12Å; A85-T87 VanDerWaalsContact C-N 3.34Å; T87-S89 VanDerWaalsContact C-N 3.28Å; T87-S89 PolarHBondContact O-N 3.3Å; T87-V90 WeakPolarHBondContact O-CB 3.48Å; T87-V90 PolarHBondContact O-N 3.25Å; T87-V91 HydrophobicContact CG2-CG2 4.5Å; T87-V91 WeakPolarHBondContact O-CG2 3.23Å; T87-V91 PolarHBondContact O-N 2.78Å
88	A	86.7	Confident	85.1	Confident	60 Å²	60	44.6 Å²	44.6	50%	0.496	28%	0.276	S	S	.	.	H	α-helix	trans	-60.7	-36.2	175.7	0	0	0	0	0	112.6	I84 A85 A86 V91 S92	I84-A88 PolarHBondContact O-N 3.45Å; A85-A88 PolarHBondContact O-N 3.18Å; A86-A88 VanDerWaalsContact C-N 3.34Å; A88-V91 PolarHBondContact O-N 2.92Å; A88-S92 PolarHBondContact O-N 2.89Å
89	S	84.4	Confident	85.4	Confident	10 Å²	10	49.9 Å²	49.9	7%	0.07	30%	0.3	C	S	.	.	H	α-helix	trans	-69.8	-37.7	176.1	77.6	0	0	0	0	112.4	Y44 A85 A86 T87 S92 Y93	Y44-S89 VanDerWaalsContact CD2-OG 3.25Å; Y44-S89 WeakPolarHBondContact CD2-OG 3.4Å; Y44-S89 VanDerWaalsContact CE2-CB 3.48Å; A85-S89 PolarHBondContact O-N 2.88Å; A86-S89 PolarHBondContact O-N 2.82Å; A86-S89 PolarHBondContact O-OG 2.03Å; T87-S89 VanDerWaalsContact C-N 3.28Å; T87-S89 PolarHBondContact O-N 3.3Å; S89-S92 PolarHBondContact O-N 3.29Å; S89-Y93 WeakPolarHBondContact O-CB 3.48Å; S89-Y93 PolarHBondContact O-N 2.98Å
90	V	85.1	Confident	85.6	Confident	17 Å²	17	47.7 Å²	47.7	10%	0.103	29%	0.287	C	S	.	.	H	α-helix	trans	-62.4	-44.4	172.8	176.1	0	0	0	0	111.1	F37 P40 F41 A86 T87 Y93 T94	F37-V90 HydrophobicContact CB-CG1 4.16Å; F37-V90 HydrophobicContact CD2-CG1 4.06Å; P40-V90 HydrophobicContact CG-CG2 4.26Å; F41-V90 HydrophobicContact CB-CG2 3.52Å; F41-V90 HydrophobicContact CD2-CG2 3.91Å; F41-V90 HydrophobicContact CG-CG2 4.2Å; A86-V90 WeakPolarHBondContact O-CG2 3.26Å; A86-V90 PolarHBondContact O-N 3.04Å; T87-V90 WeakPolarHBondContact O-CB 3.48Å; T87-V90 PolarHBondContact O-N 3.25Å; V90-Y93 PolarHBondContact O-N 3.16Å; V90-T94 WeakPolarHBondContact O-CB 3.48Å; V90-T94 PolarHBondContact O-N 3.46Å; V90-T94 PolarHBondContact O-OG1 3.33Å
91	V	86.8	Confident	85.6	Confident	75 Å²	75	47.9 Å²	47.9	46%	0.455	29%	0.288	S	S	.	.	H	α-helix	trans	-61.1	-46.8	176.4	171.8	0	0	0	0	110.1	T87 A88 Y93 T94 I95	T87-V91 HydrophobicContact CG2-CG2 4.5Å; T87-V91 WeakPolarHBondContact O-CG2 3.23Å; T87-V91 PolarHBondContact O-N 2.78Å; A88-V91 PolarHBondContact O-N 2.92Å; V91-Y93 VanDerWaalsContact C-N 3.35Å; V91-Y93 PolarHBondContact O-N 2.95Å; V91-T94 PolarHBondContact O-N 3.5Å; V91-I95 HydrophobicContact CG1-CD1 3.75Å; V91-I95 HydrophobicContact CG1-CG1 4.42Å; V91-I95 VanDerWaalsContact O-CG1 3.29Å; V91-I95 WeakPolarHBondContact O-CG1 3.37Å; V91-I95 PolarHBondContact O-N 3.39Å
92	S	86.9	Confident	85.3	Confident	48 Å²	48	54.7 Å²	54.7	34%	0.336	31%	0.307	S	S	.	.	H	α-helix	trans	-60.6	-41.7	176.8	-176.7	0	0	0	0	112.7	A88 S89 D96	A88-S92 PolarHBondContact O-N 2.89Å; S89-S92 PolarHBondContact O-N 3.29Å; S92-D96 WeakPolarHBondContact O-CB 3.2Å; S92-D96 PolarHBondContact O-N 2.94Å; S92-D96 VanDerWaalsContact O-N 3.17Å
93	Y	86.5	Confident	85.2	Confident	1 Å²	1	58.7 Å²	58.7	0%	0.004	33%	0.326	C	S	.	.	H	α-helix	trans	-64.2	-45	175.9	173.8	-103.3	0	0	0	111.4	P40 S89 V90 V91 I95 D96 V97 T115 F119	P40-Y93 HydrophobicContact CG-CD1 3.98Å; P40-Y93 HydrophobicContact CG-CD2 4.5Å; P40-Y93 HydrophobicContact CG-CG 3.87Å; S89-Y93 WeakPolarHBondContact O-CB 3.48Å; S89-Y93 PolarHBondContact O-N 2.98Å; V90-Y93 PolarHBondContact O-N 3.16Å; V91-Y93 VanDerWaalsContact C-N 3.35Å; V91-Y93 PolarHBondContact O-N 2.95Å; Y93-I95 PolarHBondContact O-N 2.93Å; Y93-D96 WeakPolarHBondContact O-CB 3.25Å; Y93-D96 PolarHBondContact O-N 3.35Å; Y93-V97 HydrophobicContact CD1-CG2 4.3Å; Y93-V97 HydrophobicContact CD2-CG2 4.27Å; Y93-V97 HydrophobicContact CE1-CG2 3.89Å; Y93-V97 HydrophobicContact CE2-CG2 3.84Å; Y93-V97 HydrophobicContact CG-CG2 4.48Å; Y93-V97 WeakPolarHBondContact O-CG2 3.07Å; Y93-V97 PolarHBondContact O-N 2.91Å; Y93-T115 HydrophobicContact CD2-CG2 4.33Å; Y93-T115 HydrophobicContact CE2-CG2 3.94Å; Y93-F119 HydrophobicContact CD2-CD1 4.01Å; Y93-F119 HydrophobicContact CD2-CD2 4.3Å; Y93-F119 AromaticContact CD2-CE1 3.94Å; Y93-F119 HydrophobicContact CD2-CE1 3.94Å; Y93-F119 HydrophobicContact CD2-CE2 4.26Å; Y93-F119 HydrophobicContact CD2-CG 4.19Å; Y93-F119 HydrophobicContact CD2-CZ 4.07Å; Y93-F119 HydrophobicContact CG-CE2 4.41Å; Y93-F119 HydrophobicContact CG-CZ 4.32Å
94	T	85.1	Confident	85.2	Confident	37 Å²	37	62.4 Å²	62.4	23%	0.227	34%	0.337	C	S	.	.	H	α-helix	trans	-63.5	-44.8	-178.2	-57.9	0	0	0	0	110.8	L30 V90 V91 D96 V97 L98	L30-T94 HydrophobicContact CD2-CG2 4.14Å; V90-T94 WeakPolarHBondContact O-CB 3.48Å; V90-T94 PolarHBondContact O-N 3.46Å; V90-T94 PolarHBondContact O-OG1 3.33Å; V91-T94 PolarHBondContact O-N 3.5Å; T94-D96 VanDerWaalsContact C-N 3.33Å; T94-D96 PolarHBondContact O-N 3.21Å; T94-V97 PolarHBondContact O-N 3.32Å; T94-L98 HydrophobicContact CG2-CD1 3.81Å; T94-L98 HydrophobicContact CG2-CG 4.21Å; T94-L98 WeakPolarHBondContact O-CB 3.37Å; T94-L98 WeakPolarHBondContact O-CG 3.48Å; T94-L98 PolarHBondContact O-N 3.39Å
95	I	87.3	Confident	84.8	Confident	87 Å²	87	57.6 Å²	57.6	45%	0.446	31%	0.313	S	S	.	.	H	α-helix	trans	-59.3	-46.2	175.6	-68.4	167.5	0	0	0	110.6	V91 Y93 V97 L98 Q99	V91-I95 HydrophobicContact CG1-CD1 3.75Å; V91-I95 HydrophobicContact CG1-CG1 4.42Å; V91-I95 VanDerWaalsContact O-CG1 3.29Å; V91-I95 WeakPolarHBondContact O-CG1 3.37Å; V91-I95 PolarHBondContact O-N 3.39Å; Y93-I95 PolarHBondContact O-N 2.93Å; I95-V97 PolarHBondContact O-N 3.34Å; I95-L98 PolarHBondContact O-N 2.89Å; I95-Q99 HydrophobicContact CG2-CG 4.5Å; I95-Q99 VanDerWaalsContact O-CG 3.32Å; I95-Q99 WeakPolarHBondContact O-CG 3.03Å; I95-Q99 PolarHBondContact O-N 2.94Å
96	D	87.2	Confident	84.3	Confident	30 Å²	30	60.2 Å²	60.2	16%	0.16	32%	0.317	C	S	.	.	H	α-helix	trans	-62.1	-41	179.8	-178.6	74	0	0	0	112.4	S92 Y93 T94 R100 S116	S92-D96 WeakPolarHBondContact O-CB 3.2Å; S92-D96 PolarHBondContact O-N 2.94Å; S92-D96 VanDerWaalsContact O-N 3.17Å; Y93-D96 WeakPolarHBondContact O-CB 3.25Å; Y93-D96 PolarHBondContact O-N 3.35Å; T94-D96 VanDerWaalsContact C-N 3.33Å; T94-D96 PolarHBondContact O-N 3.21Å; D96-R100 WeakPolarHBondContact O-CG 3.27Å; D96-S116 PolarHBondContact OD1-OG 3.39Å; D96-S116 VanDerWaalsContact OD1-OG 3.08Å; D96-S116 WeakPolarHBondContact OD2-CB 3.19Å; D96-S116 PolarHBondContact OD2-OG 2.55Å
97	V	85.9	Confident	84	Confident	0 Å²	0	63.4 Å²	63.4	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-68.2	-43.9	174.3	175	0	0	0	0	111.8	P26 L30 Y93 T94 I95 Q99 R100 M114	P26-V97 HydrophobicContact CB-CG1 3.96Å; L30-V97 HydrophobicContact CB-CG1 4.06Å; L30-V97 HydrophobicContact CD2-CB 4.22Å; L30-V97 HydrophobicContact CD2-CG1 3.86Å; L30-V97 HydrophobicContact CG-CG1 4.49Å; Y93-V97 HydrophobicContact CD1-CG2 4.3Å; Y93-V97 HydrophobicContact CD2-CG2 4.27Å; Y93-V97 HydrophobicContact CE1-CG2 3.89Å; Y93-V97 HydrophobicContact CE2-CG2 3.84Å; Y93-V97 HydrophobicContact CG-CG2 4.48Å; Y93-V97 WeakPolarHBondContact O-CG2 3.07Å; Y93-V97 PolarHBondContact O-N 2.91Å; T94-V97 PolarHBondContact O-N 3.32Å; I95-V97 PolarHBondContact O-N 3.34Å; V97-Q99 VanDerWaalsContact C-N 3.26Å; V97-Q99 PolarHBondContact O-N 2.91Å; V97-R100 PolarHBondContact O-N 3.49Å; V97-R100 VanDerWaalsContact O-N 3.12Å; V97-M114 HydrophobicContact CG1-CE 3.81Å; V97-M114 WeakPolarHBondContact CG2-O 3.48Å
98	L	86	Confident	83.6	Confident	66 Å²	66	60.5 Å²	60.5	35%	0.346	32%	0.317	S	S	.	.	H	α-helix	trans	-66.1	-27.8	-178.5	-72.7	176.6	0	0	0	113	K27 L30 F31 T94 I95 R100	K27-L98 HydrophobicContact CG-CD2 4Å; L30-L98 HydrophobicContact CD2-CD2 4.49Å; F31-L98 HydrophobicContact CE2-CD2 4.15Å; F31-L98 HydrophobicContact CZ-CD2 4.25Å; T94-L98 HydrophobicContact CG2-CD1 3.81Å; T94-L98 HydrophobicContact CG2-CG 4.21Å; T94-L98 WeakPolarHBondContact O-CB 3.37Å; T94-L98 WeakPolarHBondContact O-CG 3.48Å; T94-L98 PolarHBondContact O-N 3.39Å; I95-L98 PolarHBondContact O-N 2.89Å; L98-R100 VanDerWaalsContact C-N 3.29Å
99	Q	88	Confident	83.1	Confident	143 Å²	143	57.7 Å²	57.7	67%	0.668	29%	0.293	S	S	*	.	H	α-helix	trans	-73	-19	175	-75.2	177.8	-11.9	0	0	113.2	I95 V97 T101	I95-Q99 HydrophobicContact CG2-CG 4.5Å; I95-Q99 VanDerWaalsContact O-CG 3.32Å; I95-Q99 WeakPolarHBondContact O-CG 3.03Å; I95-Q99 PolarHBondContact O-N 2.94Å; V97-Q99 VanDerWaalsContact C-N 3.26Å; V97-Q99 PolarHBondContact O-N 2.91Å; Q99-T101 VanDerWaalsContact C-N 3.33Å; Q99-T101 PolarHBondContact O-N 3.01Å
100	R	84.3	Confident	82.6	Confident	35 Å²	35	59.9 Å²	59.9	13%	0.132	30%	0.304	C	S	.	.			trans	-84.5	70	-179.1	-67.6	170.5	68.2	-159.6	-3	111.5	P26 D96 V97 L98 E103 L113 M114	P26-R100 HydrophobicContact CB-CB 4.26Å; P26-R100 HydrophobicContact CG-CB 4.11Å; D96-R100 WeakPolarHBondContact O-CG 3.27Å; V97-R100 PolarHBondContact O-N 3.49Å; V97-R100 VanDerWaalsContact O-N 3.12Å; L98-R100 VanDerWaalsContact C-N 3.29Å; R100-E103 IonicContact CZ-OE2 3.04Å; R100-E103 IonicContact NE-OE1 3.87Å; R100-E103 IonicContact NE-OE2 2.73Å; R100-E103 PolarHBondContact NE-OE2 2.96Å; R100-E103 IonicContact NH2-OE2 2.61Å; R100-E103 PolarHBondContact NH2-OE2 2.83Å; R100-L113 PolarHBondContact NH1-O 2.83Å; R100-L113 VanDerWaalsContact NH1-O 3.07Å; R100-L113 PolarHBondContact NH2-O 2.77Å; R100-M114 PolarHBondContact NH1-O 3.05Å
101	T	82.2	Confident	81.9	Confident	78 Å²	78	60.4 Å²	60.4	48%	0.479	31%	0.306	S	S	.	.			trans	-87.4	-19.4	-179.5	55.5	0	0	0	0	114.6	K27 Q99	K27-T101 HydrophobicContact CD-CG2 4.15Å; Q99-T101 VanDerWaalsContact C-N 3.33Å; Q99-T101 PolarHBondContact O-N 3.01Å
102	K	79.6	Confident	81	Confident	197 Å²	197	62.3 Å²	62.3	86%	0.857	31%	0.314	S	S	*	.	S	Bend	trans	-98	-12.1	-176.8	-63.6	-174.1	179.7	-177.7	0	114.1
103	E	82	Confident	80.4	Confident	96 Å²	96	62.9 Å²	62.9	45%	0.449	31%	0.312	S	S	.	.			trans	-88.8	136.7	-177.3	-67	-176.3	-168.3	0	0	110.2	P26 R100	P26-E103 WeakPolarHBondContact CD-O 3.36Å; R100-E103 IonicContact CZ-OE2 3.04Å; R100-E103 IonicContact NE-OE1 3.87Å; R100-E103 IonicContact NE-OE2 2.73Å; R100-E103 PolarHBondContact NE-OE2 2.96Å; R100-E103 IonicContact NH2-OE2 2.61Å; R100-E103 PolarHBondContact NH2-OE2 2.83Å
104	Q	81.8	Confident	80	Confident	100 Å²	100	62.8 Å²	62.8	47%	0.467	31%	0.312	S	S	.	.			trans	-104	132	173.8	-69	-61.4	-20.1	0	0	109.2	E23 I24	E23-Q104 HydrophobicContact CB-CB 4.14Å; E23-Q104 WeakPolarHBondContact OE2-CB 3.38Å; I24-Q104 PolarHBondContact O-OE1 3.13Å
105	I	80.4	Confident	79.8	Confident	13 Å²	13	61.8 Å²	61.8	7%	0.067	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	161.4	174.4	61.4	164.7	0	0	0	109	E23 I24 P26 C29 I107 L113 M114	E23-I105 CarbonylContact C-O 3.49Å; E23-I105 WeakPolarHBondContact CA-O 3.49Å; I24-I105 HydrophobicContact CG2-CG1 4.07Å; I24-I105 PolarHBondContact N-O 3.05Å; I24-I105 WeakPolarHBondContact O-CG1 3.26Å; I24-I105 PolarHBondContact O-N 2.79Å; I24-I105 VanDerWaalsContact O-O 3.11Å; P26-I105 HydrophobicContact CB-CD1 4.49Å; P26-I105 HydrophobicContact CG-CD1 4.23Å; P26-I105 HydrophobicContact CG-CG1 4.29Å; P26-I105 HydrophobicContact CG-CG2 4.09Å; C29-I105 HydrophobicContact CB-CD1 4.24Å; I105-I107 PolarHBondContact O-N 3.5Å; I105-L113 HydrophobicContact CB-CB 4.2Å; I105-L113 HydrophobicContact CD1-CB 4.47Å; I105-L113 HydrophobicContact CG2-CB 4.02Å; I105-M114 HydrophobicContact CD1-CG 3.97Å; I105-M114 HydrophobicContact CD1-SD 3.3Å; I105-M114 WeakPolarHBondContact CD1-SD 3.49Å
106	Q	75.1	Confident	79.5	Confident	99 Å²	99	58.3 Å²	58.3	46%	0.463	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.1	140.4	173.9	-71	-179.2	-31.8	0	0	111.3	C108 C109 L113	Q106-C108 PolarHBondContact O-N 2.7Å; Q106-C109 PolarHBondContact O-N 2.91Å; Q106-L113 HydrophobicContact CB-CD1 4.36Å
107	I	78.8	Confident	79	Confident	67 Å²	67	65.6 Å²	65.6	34%	0.344	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-20.2	179.1	-160.2	160.6	0	0	0	113.7	S20 D22 I105 C109	S20-I107 WeakPolarHBondContact OG-CG2 3.43Å; D22-I107 HydrophobicContact CB-CB 4.05Å; D22-I107 HydrophobicContact CB-CD1 3.77Å; D22-I107 HydrophobicContact CB-CG2 4.06Å; D22-I107 WeakPolarHBondContact O-CB 3.41Å; D22-I107 PolarHBondContact O-N 3.14Å; I105-I107 PolarHBondContact O-N 3.5Å; I107-C109 PolarHBondContact O-N 3.41Å; I107-C109 PolarHBondContact O-SG 3.23Å; I107-C109 VanDerWaalsContact O-SG 3.42Å
108	C	76.5	Confident	78.7	Confident	12 Å²	12	69.9 Å²	69.9	8%	0.081	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-8.1	175.9	-53.6	0	0	0	0	114.9	K12 C17 Q106 L110	K12-C108 WeakPolarHBondContact CD-O 3.39Å; K12-C108 WeakPolarHBondContact CE-O 3.36Å; K12-C108 PolarHBondContact NZ-O 2.82Å; C17-C108 HydrophobicContact CB-CB 4.15Å; C17-C108 WeakPolarHBondContact CB-SG 3.2Å; C17-C108 PolarHBondContact O-SG 3.47Å; C17-C108 WeakPolarHBondContact SG-CA 3.34Å; C17-C108 WeakPolarHBondContact SG-CB 3.27Å; C17-C108 CovalentContact SG-SG 2.05Å; C17-C108 PolarHBondContact SG-SG 3.26Å; Q106-C108 PolarHBondContact O-N 2.7Å; C108-L110 VanDerWaalsContact C-N 3.26Å; C108-L110 HydrophobicContact CB-CG 4.41Å; C108-L110 PolarHBondContact O-N 3.27Å; C108-L110 VanDerWaalsContact O-N 3.14Å
109	C	76.2	Confident	78.6	Confident	1 Å²	1	67.6 Å²	67.6	1%	0.007	33%	0.33	C	S	.	.			trans	57.5	38.3	167.8	-76.3	0	0	0	0	113.1	K12 C29 N33 L36 Q106 I107 N111	K12-C109 PolarHBondContact NZ-O 3.46Å; C29-C109 WeakPolarHBondContact CA-SG 3.14Å; C29-C109 HydrophobicContact CB-CB 4.28Å; C29-C109 WeakPolarHBondContact CB-SG 3.1Å; C29-C109 WeakPolarHBondContact SG-CA 3.17Å; C29-C109 WeakPolarHBondContact SG-CB 3.13Å; C29-C109 CovalentContact SG-SG 1.99Å; C29-C109 PolarHBondContact SG-SG 3.29Å; N33-C109 PolarHBondContact ND2-SG 3.41Å; L36-C109 HydrophobicContact CD1-CB 4.12Å; Q106-C109 PolarHBondContact O-N 2.91Å; I107-C109 PolarHBondContact O-N 3.41Å; I107-C109 PolarHBondContact O-SG 3.23Å; I107-C109 VanDerWaalsContact O-SG 3.42Å; C109-N111 PolarHBondContact O-N 3.49Å
110	L	73.9	Confident	78.1	Confident	55 Å²	55	63.9 Å²	63.9	29%	0.288	31%	0.314	S	S	.	.			trans	-64.8	137.6	-176.1	-67.1	170.2	0	0	0	110.2	C108 N112 L113 M114	C108-L110 VanDerWaalsContact C-N 3.26Å; C108-L110 HydrophobicContact CB-CG 4.41Å; C108-L110 PolarHBondContact O-N 3.27Å; C108-L110 VanDerWaalsContact O-N 3.14Å; L110-N112 WeakPolarHBondContact CB-OD1 3.37Å; L110-N112 PolarHBondContact O-N 3.09Å; L110-N112 VanDerWaalsContact O-N 3.17Å; L110-L113 HydrophobicContact CB-CD1 4.15Å; L110-L113 HydrophobicContact CB-CG 4.31Å; L110-L113 HydrophobicContact CD1-CD1 4.37Å; L110-L113 WeakPolarHBondContact O-CB 3.49Å; L110-L113 PolarHBondContact O-N 3.27Å; L110-M114 WeakPolarHBondContact O-CG 3.11Å; L110-M114 PolarHBondContact O-N 3.42Å
111	N	69.7	Low	77.9	Confident	29 Å²	29	68.8 Å²	68.8	16%	0.155	34%	0.336	C	S	.	.	H	α-helix	trans	-59.1	-34.4	-171.8	-170.9	52.3	0	0	0	113.4	Y39 C109 L113 M114 T115	Y39-N111 WeakPolarHBondContact CD1-ND2 3.44Å; Y39-N111 WeakPolarHBondContact CE1-ND2 3.44Å; C109-N111 PolarHBondContact O-N 3.49Å; N111-L113 VanDerWaalsContact C-N 3.29Å; N111-L113 PolarHBondContact O-N 3.16Å; N111-M114 PolarHBondContact O-N 3.43Å; N111-T115 WeakPolarHBondContact O-CB 3.22Å; N111-T115 PolarHBondContact O-N 3.49Å; N111-T115 PolarHBondContact O-OG1 2.92Å
112	N	68.7	Low	78	Confident	115 Å²	115	71.7 Å²	71.7	62%	0.615	34%	0.338	S	S	*	.	H	α-helix	trans	-69.4	-21.8	176.5	64.4	-30.1	0	0	0	113.9	L110	L110-N112 WeakPolarHBondContact CB-OD1 3.37Å; L110-N112 PolarHBondContact O-N 3.09Å; L110-N112 VanDerWaalsContact O-N 3.17Å
113	L	73.4	Confident	78.2	Confident	59 Å²	59	63.7 Å²	63.7	31%	0.309	30%	0.303	S	S	.	.	H	α-helix	trans	-87.8	-34	172.9	-60.7	175	0	0	0	111	R100 I105 Q106 L110 N111	R100-L113 PolarHBondContact NH1-O 2.83Å; R100-L113 VanDerWaalsContact NH1-O 3.07Å; R100-L113 PolarHBondContact NH2-O 2.77Å; I105-L113 HydrophobicContact CB-CB 4.2Å; I105-L113 HydrophobicContact CD1-CB 4.47Å; I105-L113 HydrophobicContact CG2-CB 4.02Å; Q106-L113 HydrophobicContact CB-CD1 4.36Å; L110-L113 HydrophobicContact CB-CD1 4.15Å; L110-L113 HydrophobicContact CB-CG 4.31Å; L110-L113 HydrophobicContact CD1-CD1 4.37Å; L110-L113 WeakPolarHBondContact O-CB 3.49Å; L110-L113 PolarHBondContact O-N 3.27Å; N111-L113 VanDerWaalsContact C-N 3.29Å; N111-L113 PolarHBondContact O-N 3.16Å
114	M	78.8	Confident	78.1	Confident	0 Å²	0	61.2 Å²	61.2	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-70.5	-33	178.3	-73.7	-66.1	-77.2	0	0	113.9	P26 C29 L30 L36 V97 R100 I105 L110 N111	P26-M114 HydrophobicContact CB-SD 3.91Å; P26-M114 VanDerWaalsContact O-CE 3.31Å; P26-M114 WeakPolarHBondContact O-CE 3.41Å; C29-M114 HydrophobicContact CB-CE 4.1Å; C29-M114 HydrophobicContact CB-SD 3.82Å; C29-M114 PolarHBondContact SG-SD 3.1Å; L30-M114 HydrophobicContact CB-CE 3.9Å; L30-M114 HydrophobicContact CD1-CE 4.43Å; L36-M114 HydrophobicContact CD1-CE 4.18Å; L36-M114 HydrophobicContact CD1-CG 4.39Å; V97-M114 HydrophobicContact CG1-CE 3.81Å; V97-M114 WeakPolarHBondContact CG2-O 3.48Å; R100-M114 PolarHBondContact NH1-O 3.05Å; I105-M114 HydrophobicContact CD1-CG 3.97Å; I105-M114 HydrophobicContact CD1-SD 3.3Å; I105-M114 WeakPolarHBondContact CD1-SD 3.49Å; L110-M114 WeakPolarHBondContact O-CG 3.11Å; L110-M114 PolarHBondContact O-N 3.42Å; N111-M114 PolarHBondContact O-N 3.43Å
115	T	80	Confident	78.2	Confident	15 Å²	15	59.3 Å²	59.3	9%	0.092	29%	0.288	C	S	.	.	S	Bend	trans	-85.7	128	-177.5	-46.9	0	0	0	0	110.7	Y93 N111 F119 I120	Y93-T115 HydrophobicContact CD2-CG2 4.33Å; Y93-T115 HydrophobicContact CE2-CG2 3.94Å; N111-T115 WeakPolarHBondContact O-CB 3.22Å; N111-T115 PolarHBondContact O-N 3.49Å; N111-T115 PolarHBondContact O-OG1 2.92Å; T115-F119 HydrophobicContact CG2-CB 4.09Å; T115-F119 HydrophobicContact CG2-CD1 3.42Å; T115-F119 VanDerWaalsContact CG2-CD1 3.42Å; T115-F119 HydrophobicContact CG2-CE1 4.26Å; T115-F119 HydrophobicContact CG2-CG 4.11Å; T115-I120 HydrophobicContact CG2-CD1 4.12Å; T115-I120 HydrophobicContact CG2-CG1 3.5Å; T115-I120 VanDerWaalsContact CG2-CG1 3.5Å
116	S	80.5	Confident	78.4	Confident	15 Å²	15	61.1 Å²	61.1	11%	0.105	30%	0.299	C	S	.	.			trans	-68.4	155.4	175.3	78.2	0	0	0	0	111.9	D96 L118 F119 I120	D96-S116 PolarHBondContact OD1-OG 3.39Å; D96-S116 VanDerWaalsContact OD1-OG 3.08Å; D96-S116 WeakPolarHBondContact OD2-CB 3.19Å; D96-S116 PolarHBondContact OD2-OG 2.55Å; S116-L118 PolarHBondContact O-N 3.43Å; S116-L118 PolarHBondContact OG-N 2.85Å; S116-F119 PolarHBondContact O-N 3.1Å; S116-F119 WeakPolarHBondContact OG-CB 3.38Å; S116-F119 PolarHBondContact OG-N 2.9Å; S116-I120 WeakPolarHBondContact O-CG1 3.36Å; S116-I120 PolarHBondContact O-N 3.09Å
117	K	76.7	Confident	78.7	Confident	183 Å²	183	57.3 Å²	57.3	80%	0.796	28%	0.283	S	S	*	.	H	α-helix	trans	-59	-36.2	172.9	-65.3	178.6	-176.3	170.3	0	111.8	I120 F121	K117-I120 PolarHBondContact O-N 3.14Å; K117-F121 WeakPolarHBondContact O-CB 3.42Å; K117-F121 PolarHBondContact O-N 3.04Å
118	L	80.1	Confident	78.9	Confident	89 Å²	89	58.3 Å²	58.3	47%	0.466	29%	0.292	S	S	.	.	H	α-helix	trans	-68.4	-42.9	-179.6	-176.3	61.9	0	0	0	111.3	S116 F121 R122	S116-L118 PolarHBondContact O-N 3.43Å; S116-L118 PolarHBondContact OG-N 2.85Å; L118-F121 PolarHBondContact O-N 3.48Å; L118-R122 WeakPolarHBondContact O-CG 3.21Å; L118-R122 PolarHBondContact O-N 2.7Å
119	F	83.5	Confident	79.4	Confident	19 Å²	19	62.6 Å²	62.6	8%	0.083	31%	0.314	C	S	.	.	H	α-helix	trans	-63.2	-46.5	174.3	-174.3	-87.1	0	0	0	111.3	P40 Y93 T115 S116 F121 R122 Y123	P40-F119 HydrophobicContact CB-CE1 4.33Å; P40-F119 HydrophobicContact CB-CZ 3.9Å; Y93-F119 HydrophobicContact CD2-CD1 4.01Å; Y93-F119 HydrophobicContact CD2-CD2 4.3Å; Y93-F119 AromaticContact CD2-CE1 3.94Å; Y93-F119 HydrophobicContact CD2-CE1 3.94Å; Y93-F119 HydrophobicContact CD2-CE2 4.26Å; Y93-F119 HydrophobicContact CD2-CG 4.19Å; Y93-F119 HydrophobicContact CD2-CZ 4.07Å; Y93-F119 HydrophobicContact CG-CE2 4.41Å; Y93-F119 HydrophobicContact CG-CZ 4.32Å; T115-F119 HydrophobicContact CG2-CB 4.09Å; T115-F119 HydrophobicContact CG2-CD1 3.42Å; T115-F119 VanDerWaalsContact CG2-CD1 3.42Å; T115-F119 HydrophobicContact CG2-CE1 4.26Å; T115-F119 HydrophobicContact CG2-CG 4.11Å; S116-F119 PolarHBondContact O-N 3.1Å; S116-F119 WeakPolarHBondContact OG-CB 3.38Å; S116-F119 PolarHBondContact OG-N 2.9Å; F119-F121 VanDerWaalsContact C-N 3.29Å; F119-F121 PolarHBondContact O-N 3.47Å; F119-R122 PolarHBondContact O-N 3.03Å; F119-Y123 VanDerWaalsContact O-CB 3.24Å; F119-Y123 WeakPolarHBondContact O-CB 3.48Å; F119-Y123 PolarHBondContact O-N 2.85Å
120	I	79.2	Confident	79.8	Confident	65 Å²	65	63.5 Å²	63.5	33%	0.333	32%	0.319	S	S	.	.	H	α-helix	trans	-58	-43.1	176.9	-67.4	169	0	0	0	111.1	T115 S116 K117 N124	T115-I120 HydrophobicContact CG2-CD1 4.12Å; T115-I120 HydrophobicContact CG2-CG1 3.5Å; T115-I120 VanDerWaalsContact CG2-CG1 3.5Å; S116-I120 WeakPolarHBondContact O-CG1 3.36Å; S116-I120 PolarHBondContact O-N 3.09Å; K117-I120 PolarHBondContact O-N 3.14Å; I120-N124 WeakPolarHBondContact O-CB 3.33Å; I120-N124 PolarHBondContact O-N 2.85Å; I120-N124 PolarHBondContact O-ND2 3.49Å
121	F	80.1	Confident	80.3	Confident	137 Å²	137	62.1 Å²	62.1	60%	0.601	32%	0.318	S	S	*	.	H	α-helix	trans	-62.4	-51.3	178	178.7	-100.1	0	0	0	111.5	K117 L118 F119 Y123 N124 V125	K117-F121 WeakPolarHBondContact O-CB 3.42Å; K117-F121 PolarHBondContact O-N 3.04Å; L118-F121 PolarHBondContact O-N 3.48Å; F119-F121 VanDerWaalsContact C-N 3.29Å; F119-F121 PolarHBondContact O-N 3.47Å; F121-Y123 VanDerWaalsContact C-N 3.34Å; F121-Y123 PolarHBondContact O-N 2.9Å; F121-N124 PolarHBondContact O-N 2.58Å; F121-V125 HydrophobicContact CD1-CG2 4.41Å; F121-V125 HydrophobicContact CE1-CG2 4.02Å; F121-V125 HydrophobicContact CE2-CG2 4.24Å; F121-V125 HydrophobicContact CZ-CG2 3.93Å; F121-V125 WeakPolarHBondContact O-CG2 3.43Å; F121-V125 PolarHBondContact O-N 3.22Å
122	R	83.8	Confident	81.1	Confident	139 Å²	139	66 Å²	66	53%	0.525	34%	0.339	S	S	.	.	H	α-helix	trans	-59	-45.2	177.5	-71.5	175.7	-179.5	-176.7	0.8	111.7	L118 F119 V125 V126	L118-R122 WeakPolarHBondContact O-CG 3.21Å; L118-R122 PolarHBondContact O-N 2.7Å; F119-R122 PolarHBondContact O-N 3.03Å; R122-V125 PolarHBondContact O-N 3.14Å; R122-V126 WeakPolarHBondContact O-CG2 3.35Å; R122-V126 PolarHBondContact O-N 2.92Å
123	Y	82.9	Confident	81.9	Confident	30 Å²	30	63.8 Å²	63.8	12%	0.118	33%	0.329	C	S	.	.	H	α-helix	trans	-56.5	-52	175.4	174.1	-88.7	0	0	0	111.2	D43 Y44 F119 F121 V125 V126 S127	D43-Y123 HydrophobicContact CB-CE2 4.01Å; D43-Y123 VanDerWaalsContact CB-OH 3.31Å; D43-Y123 WeakPolarHBondContact CB-OH 3.18Å; D43-Y123 PolarHBondContact OD2-OH 2.85Å; Y44-Y123 HydrophobicContact CD2-CD2 4.23Å; Y44-Y123 HydrophobicContact CD2-CE2 4.13Å; Y44-Y123 AromaticContact CE2-CD2 3.51Å; Y44-Y123 HydrophobicContact CE2-CD2 3.51Å; Y44-Y123 AromaticContact CE2-CE2 3.87Å; Y44-Y123 HydrophobicContact CE2-CE2 3.87Å; F119-Y123 VanDerWaalsContact O-CB 3.24Å; F119-Y123 WeakPolarHBondContact O-CB 3.48Å; F119-Y123 PolarHBondContact O-N 2.85Å; F121-Y123 VanDerWaalsContact C-N 3.34Å; F121-Y123 PolarHBondContact O-N 2.9Å; Y123-V125 VanDerWaalsContact C-N 3.33Å; Y123-V125 PolarHBondContact O-N 3.39Å; Y123-V126 PolarHBondContact O-N 3.38Å; Y123-S127 PolarHBondContact O-N 3.4Å; Y123-S127 PolarHBondContact O-OG 3.34Å; Y123-S127 VanDerWaalsContact O-OG 3.08Å
124	N	81.2	Confident	82.5	Confident	43 Å²	43	61.4 Å²	61.4	23%	0.23	32%	0.318	C	S	.	.	H	α-helix	trans	-61.2	-41	-179.4	-73.7	-25.1	0	0	0	112.2	I120 F121 S127 V128 K189	I120-N124 WeakPolarHBondContact O-CB 3.33Å; I120-N124 PolarHBondContact O-N 2.85Å; I120-N124 PolarHBondContact O-ND2 3.49Å; F121-N124 PolarHBondContact O-N 2.58Å; N124-S127 PolarHBondContact O-N 3.26Å; N124-V128 WeakPolarHBondContact O-CB 2.85Å; N124-V128 VanDerWaalsContact O-CG2 3.27Å; N124-V128 WeakPolarHBondContact O-CG2 2.99Å; N124-V128 PolarHBondContact O-N 3.38Å; N124-K189 PolarHBondContact OD1-NZ 2Å
125	V	83.4	Confident	82.8	Confident	60 Å²	60	64.3 Å²	64.3	36%	0.364	34%	0.335	S	S	.	.	H	α-helix	trans	-60.5	-48.3	176.7	170.6	0	0	0	0	110.4	F121 R122 Y123 S127 V128 L129	F121-V125 HydrophobicContact CD1-CG2 4.41Å; F121-V125 HydrophobicContact CE1-CG2 4.02Å; F121-V125 HydrophobicContact CE2-CG2 4.24Å; F121-V125 HydrophobicContact CZ-CG2 3.93Å; F121-V125 WeakPolarHBondContact O-CG2 3.43Å; F121-V125 PolarHBondContact O-N 3.22Å; R122-V125 PolarHBondContact O-N 3.14Å; Y123-V125 VanDerWaalsContact C-N 3.33Å; Y123-V125 PolarHBondContact O-N 3.39Å; V125-S127 PolarHBondContact O-N 3.46Å; V125-V128 PolarHBondContact O-N 2.8Å; V125-L129 HydrophobicContact CG1-CD1 3.92Å; V125-L129 HydrophobicContact CG1-CG 4.48Å; V125-L129 WeakPolarHBondContact O-CB 3.4Å; V125-L129 VanDerWaalsContact O-CG 3.29Å; V125-L129 WeakPolarHBondContact O-CG 3.3Å; V125-L129 PolarHBondContact O-N 3.37Å
126	V	84.2	Confident	83.1	Confident	52 Å²	52	65.9 Å²	65.9	32%	0.315	35%	0.35	S	S	.	.	H	α-helix	trans	-61.9	-45.6	177.3	176.4	0	0	0	0	110.9	Y44 M47 R122 Y123 V128 L129 V130	Y44-V126 HydrophobicContact CE1-CG1 4.04Å; M47-V126 HydrophobicContact CE-CG1 3.75Å; M47-V126 HydrophobicContact SD-CG1 4.42Å; R122-V126 WeakPolarHBondContact O-CG2 3.35Å; R122-V126 PolarHBondContact O-N 2.92Å; Y123-V126 PolarHBondContact O-N 3.38Å; V126-V128 VanDerWaalsContact C-N 3.34Å; V126-V128 PolarHBondContact O-N 3.27Å; V126-L129 PolarHBondContact O-N 2.91Å; V126-V130 HydrophobicContact CG1-CG2 4.09Å; V126-V130 WeakPolarHBondContact O-CB 3.27Å; V126-V130 VanDerWaalsContact O-CG2 3.3Å; V126-V130 WeakPolarHBondContact O-CG2 3.45Å; V126-V130 PolarHBondContact O-N 3.08Å
127	S	82.3	Confident	83.3	Confident	18 Å²	18	67 Å²	67	13%	0.126	36%	0.355	C	S	.	.	H	α-helix	trans	-61.9	-39.5	179.2	-59.1	0	0	0	0	113.3	M47 Y123 N124 V125 G131	M47-S127 WeakPolarHBondContact SD-CA 2.95Å; Y123-S127 PolarHBondContact O-N 3.4Å; Y123-S127 PolarHBondContact O-OG 3.34Å; Y123-S127 VanDerWaalsContact O-OG 3.08Å; N124-S127 PolarHBondContact O-N 3.26Å; V125-S127 PolarHBondContact O-N 3.46Å; S127-G131 PolarHBondContact O-N 3.18Å
128	V	82.5	Confident	83.7	Confident	88 Å²	88	60.2 Å²	60.2	53%	0.533	33%	0.327	S	S	.	.	H	α-helix	trans	-67.4	-46.3	175.9	170.2	0	0	0	0	110.6	N124 V125 V126 G131 L132	N124-V128 WeakPolarHBondContact O-CB 2.85Å; N124-V128 VanDerWaalsContact O-CG2 3.27Å; N124-V128 WeakPolarHBondContact O-CG2 2.99Å; N124-V128 PolarHBondContact O-N 3.38Å; V125-V128 PolarHBondContact O-N 2.8Å; V126-V128 VanDerWaalsContact C-N 3.34Å; V126-V128 PolarHBondContact O-N 3.27Å; V128-G131 PolarHBondContact O-N 2.76Å; V128-L132 HydrophobicContact CG1-CD1 3.78Å; V128-L132 HydrophobicContact CG1-CG 4.26Å; V128-L132 WeakPolarHBondContact O-CB 3.4Å; V128-L132 VanDerWaalsContact O-CG 3.26Å; V128-L132 WeakPolarHBondContact O-CG 3.37Å; V128-L132 PolarHBondContact O-N 3.14Å
129	L	86	Confident	83.9	Confident	103 Å²	103	61.1 Å²	61.1	54%	0.539	33%	0.331	S	S	.	.	H	α-helix	trans	-61.9	-46	179.1	-72	173.1	0	0	0	112	V125 V126 T133	V125-L129 HydrophobicContact CG1-CD1 3.92Å; V125-L129 HydrophobicContact CG1-CG 4.48Å; V125-L129 WeakPolarHBondContact O-CB 3.4Å; V125-L129 VanDerWaalsContact O-CG 3.29Å; V125-L129 WeakPolarHBondContact O-CG 3.3Å; V125-L129 PolarHBondContact O-N 3.37Å; V126-L129 PolarHBondContact O-N 2.91Å; L129-T133 WeakPolarHBondContact O-CB 3.12Å; L129-T133 PolarHBondContact O-N 3.28Å; L129-T133 PolarHBondContact O-OG1 3.03Å
130	V	85.5	Confident	84	Confident	19 Å²	19	64.9 Å²	64.9	12%	0.115	35%	0.351	C	S	.	.	H	α-helix	trans	-63.4	-47.5	176.6	172	0	0	0	0	110.5	M47 L51 V126 L132 T133 S134	M47-V130 HydrophobicContact CE-CG2 4.45Å; M47-V130 HydrophobicContact CG-CB 3.96Å; M47-V130 HydrophobicContact CG-CG1 3.54Å; M47-V130 HydrophobicContact CG-CG2 4.4Å; M47-V130 HydrophobicContact SD-CB 4.07Å; M47-V130 HydrophobicContact SD-CG1 4.31Å; M47-V130 HydrophobicContact SD-CG2 4.23Å; L51-V130 HydrophobicContact CB-CG1 3.75Å; L51-V130 HydrophobicContact CD1-CG1 4.32Å; L51-V130 HydrophobicContact CD2-CG1 3.95Å; L51-V130 HydrophobicContact CD2-CG2 4.37Å; L51-V130 HydrophobicContact CG-CG1 4.21Å; V126-V130 HydrophobicContact CG1-CG2 4.09Å; V126-V130 WeakPolarHBondContact O-CB 3.27Å; V126-V130 VanDerWaalsContact O-CG2 3.3Å; V126-V130 WeakPolarHBondContact O-CG2 3.45Å; V126-V130 PolarHBondContact O-N 3.08Å; V130-L132 PolarHBondContact O-N 2.88Å; V130-T133 PolarHBondContact O-N 2.91Å; V130-S134 PolarHBondContact O-N 3.31Å; V130-S134 PolarHBondContact O-OG 2.81Å; V130-S134 VanDerWaalsContact O-OG 3.11Å
131	G	83.7	Confident	84	Confident	26 Å²	26	62 Å²	62	27%	0.268	34%	0.338	S	S	.	.	H	α-helix	trans	-59.7	-45.5	178.8	0	0	0	0	0	113	S127 V128 T133 S134 V135	S127-G131 PolarHBondContact O-N 3.18Å; V128-G131 PolarHBondContact O-N 2.76Å; G131-T133 VanDerWaalsContact C-N 3.33Å; G131-T133 PolarHBondContact O-N 2.96Å; G131-S134 PolarHBondContact O-N 2.97Å; G131-V135 WeakPolarHBondContact O-CG2 3.2Å; G131-V135 PolarHBondContact O-N 2.82Å
132	L	86.5	Confident	83.9	Confident	111 Å²	111	60.4 Å²	60.4	58%	0.581	34%	0.339	S	S	*	.	H	α-helix	trans	-63.3	-40.2	176.4	-72.8	174.3	0	0	0	111.8	V128 V130 V135 A136	V128-L132 HydrophobicContact CG1-CD1 3.78Å; V128-L132 HydrophobicContact CG1-CG 4.26Å; V128-L132 WeakPolarHBondContact O-CB 3.4Å; V128-L132 VanDerWaalsContact O-CG 3.26Å; V128-L132 WeakPolarHBondContact O-CG 3.37Å; V128-L132 PolarHBondContact O-N 3.14Å; V130-L132 PolarHBondContact O-N 2.88Å; L132-V135 PolarHBondContact O-N 3.21Å; L132-A136 WeakPolarHBondContact O-CB 3.5Å; L132-A136 PolarHBondContact O-N 3.29Å
133	T	86.4	Confident	83.6	Confident	68 Å²	68	55.9 Å²	55.9	42%	0.417	33%	0.331	S	S	.	.	H	α-helix	trans	-63.8	-45.8	177	-54.9	0	0	0	0	111	L51 L129 V130 G131 V135 A136 L137	L51-T133 HydrophobicContact CD1-CG2 3.94Å; L129-T133 WeakPolarHBondContact O-CB 3.12Å; L129-T133 PolarHBondContact O-N 3.28Å; L129-T133 PolarHBondContact O-OG1 3.03Å; V130-T133 PolarHBondContact O-N 2.91Å; G131-T133 VanDerWaalsContact C-N 3.33Å; G131-T133 PolarHBondContact O-N 2.96Å; T133-V135 PolarHBondContact O-N 3.12Å; T133-A136 PolarHBondContact O-N 3.37Å; T133-L137 HydrophobicContact CG2-CD1 4.06Å; T133-L137 HydrophobicContact CG2-CG 4.47Å; T133-L137 WeakPolarHBondContact O-CB 3.49Å; T133-L137 VanDerWaalsContact O-CG 3.27Å; T133-L137 WeakPolarHBondContact O-CG 3.24Å; T133-L137 PolarHBondContact O-N 2.93Å
134	S	84.9	Confident	83.3	Confident	10 Å²	10	55 Å²	55	7%	0.07	33%	0.33	C	S	.	.	H	α-helix	trans	-58.6	-46.7	175.7	-60.5	0	0	0	0	111.9	L51 S54 V130 G131 L137 L138	L51-S134 WeakPolarHBondContact CA-OG 3.5Å; L51-S134 WeakPolarHBondContact CD1-OG 3.29Å; S54-S134 WeakPolarHBondContact OG-CB 3.38Å; V130-S134 PolarHBondContact O-N 3.31Å; V130-S134 PolarHBondContact O-OG 2.81Å; V130-S134 VanDerWaalsContact O-OG 3.11Å; G131-S134 PolarHBondContact O-N 2.97Å; S134-L137 PolarHBondContact O-N 3.45Å; S134-L138 VanDerWaalsContact O-CG 3.3Å; S134-L138 WeakPolarHBondContact O-CG 3.25Å; S134-L138 PolarHBondContact O-N 3.18Å
135	V	84.8	Confident	82.8	Confident	60 Å²	60	59.4 Å²	59.4	36%	0.364	35%	0.345	S	S	.	.	H	α-helix	trans	-63.1	-45.5	178.2	171	0	0	0	0	111.1	G131 L132 T133 L137 L138 I139	G131-V135 WeakPolarHBondContact O-CG2 3.2Å; G131-V135 PolarHBondContact O-N 2.82Å; L132-V135 PolarHBondContact O-N 3.21Å; T133-V135 PolarHBondContact O-N 3.12Å; V135-L137 VanDerWaalsContact C-N 3.35Å; V135-L137 PolarHBondContact O-N 3.29Å; V135-L138 PolarHBondContact O-N 3.28Å; V135-I139 HydrophobicContact CG1-CD1 3.73Å; V135-I139 HydrophobicContact CG1-CG1 4.37Å; V135-I139 VanDerWaalsContact O-CG1 3.32Å; V135-I139 WeakPolarHBondContact O-CG1 3.48Å; V135-I139 PolarHBondContact O-N 3.08Å
136	A	86.2	Confident	82.2	Confident	49 Å²	49	59.1 Å²	59.1	41%	0.405	35%	0.349	S	S	.	.	H	α-helix	trans	-60.6	-44.1	178.2	0	0	0	0	0	111.8	L132 T133 L138 I139 L140	L132-A136 WeakPolarHBondContact O-CB 3.5Å; L132-A136 PolarHBondContact O-N 3.29Å; T133-A136 PolarHBondContact O-N 3.37Å; A136-L138 PolarHBondContact O-N 3.23Å; A136-I139 PolarHBondContact O-N 2.99Å; A136-L140 WeakPolarHBondContact O-CB 3.4Å; A136-L140 VanDerWaalsContact O-CG 3.29Å; A136-L140 WeakPolarHBondContact O-CG 3.47Å; A136-L140 PolarHBondContact O-N 3.23Å
137	L	86.2	Confident	81.5	Confident	38 Å²	38	62.1 Å²	62.1	20%	0.199	36%	0.362	C	S	.	.	H	α-helix	trans	-60.8	-44.5	176.2	-73.2	169.7	0	0	0	111.7	L51 V55 A58 T133 S134 V135 L140 S141	L51-L137 HydrophobicContact CD1-CD1 4.41Å; V55-L137 HydrophobicContact CB-CD1 4.37Å; V55-L137 HydrophobicContact CG2-CD1 3.49Å; V55-L137 VanDerWaalsContact CG2-CD1 3.49Å; A58-L137 HydrophobicContact CB-CB 4.11Å; A58-L137 HydrophobicContact CB-CD2 3.95Å; T133-L137 HydrophobicContact CG2-CD1 4.06Å; T133-L137 HydrophobicContact CG2-CG 4.47Å; T133-L137 WeakPolarHBondContact O-CB 3.49Å; T133-L137 VanDerWaalsContact O-CG 3.27Å; T133-L137 WeakPolarHBondContact O-CG 3.24Å; T133-L137 PolarHBondContact O-N 2.93Å; S134-L137 PolarHBondContact O-N 3.45Å; V135-L137 VanDerWaalsContact C-N 3.35Å; V135-L137 PolarHBondContact O-N 3.29Å; L137-L140 PolarHBondContact O-N 2.94Å; L137-S141 PolarHBondContact O-N 3.13Å; L137-S141 PolarHBondContact O-OG 3.35Å
138	L	84.7	Confident	80.6	Confident	41 Å²	41	63.1 Å²	63.1	22%	0.215	37%	0.368	C	S	.	.	H	α-helix	trans	-66.1	-39.8	178.2	-69.2	171.6	0	0	0	112.5	C57 S134 V135 A136 L140 S141 V142 I179	C57-L138 HydrophobicContact CB-CD2 4.43Å; S134-L138 VanDerWaalsContact O-CG 3.3Å; S134-L138 WeakPolarHBondContact O-CG 3.25Å; S134-L138 PolarHBondContact O-N 3.18Å; V135-L138 PolarHBondContact O-N 3.28Å; A136-L138 PolarHBondContact O-N 3.23Å; L138-L140 VanDerWaalsContact C-N 3.34Å; L138-S141 WeakPolarHBondContact O-CB 3.03Å; L138-S141 PolarHBondContact O-N 2.71Å; L138-V142 WeakPolarHBondContact O-CG2 3.3Å; L138-V142 PolarHBondContact O-N 3.42Å; L138-I179 HydrophobicContact CD1-CD1 3.55Å
139	I	84.7	Confident	79.4	Confident	108 Å²	108	62.5 Å²	62.5	55%	0.554	36%	0.36	S	S	*	.	H	α-helix	trans	-62.3	-44.1	174.4	-69	169.1	0	0	0	110.2	V135 A136 S141 V142 A143	V135-I139 HydrophobicContact CG1-CD1 3.73Å; V135-I139 HydrophobicContact CG1-CG1 4.37Å; V135-I139 VanDerWaalsContact O-CG1 3.32Å; V135-I139 WeakPolarHBondContact O-CG1 3.48Å; V135-I139 PolarHBondContact O-N 3.08Å; A136-I139 PolarHBondContact O-N 2.99Å; I139-S141 VanDerWaalsContact C-N 3.33Å; I139-S141 PolarHBondContact O-N 3.28Å; I139-V142 PolarHBondContact O-N 3.42Å; I139-A143 WeakPolarHBondContact O-CB 3.13Å; I139-A143 PolarHBondContact O-N 2.86Å
140	L	84.4	Confident	77.6	Confident	97 Å²	97	60.6 Å²	60.6	51%	0.508	36%	0.355	S	S	.	.	H	α-helix	trans	-61.6	-40.5	175.1	-72.4	170.5	0	0	0	111.7	L62 A136 L137 L138 A143 G144	L62-L140 HydrophobicContact CD1-CB 4.33Å; A136-L140 WeakPolarHBondContact O-CB 3.4Å; A136-L140 VanDerWaalsContact O-CG 3.29Å; A136-L140 WeakPolarHBondContact O-CG 3.47Å; A136-L140 PolarHBondContact O-N 3.23Å; L137-L140 PolarHBondContact O-N 2.94Å; L138-L140 VanDerWaalsContact C-N 3.34Å; L140-A143 PolarHBondContact O-N 2.9Å; L140-G144 PolarHBondContact O-N 3.07Å
141	S	79.3	Confident	75.5	Confident	6 Å²	6	66.5 Å²	66.5	4%	0.042	38%	0.381	C	S	.	.	H	α-helix	trans	-59.2	-48.5	173.2	-53.7	0	0	0	0	111.6	A58 V61 L137 L138 I139 A143 G144 Y145	A58-S141 WeakPolarHBondContact CA-OG 3.27Å; A58-S141 WeakPolarHBondContact CB-OG 3.27Å; A58-S141 PolarHBondContact N-OG 3.4Å; V61-S141 VanDerWaalsContact CG1-O 3.23Å; V61-S141 WeakPolarHBondContact CG1-O 3.28Å; L137-S141 PolarHBondContact O-N 3.13Å; L137-S141 PolarHBondContact O-OG 3.35Å; L138-S141 WeakPolarHBondContact O-CB 3.03Å; L138-S141 PolarHBondContact O-N 2.71Å; I139-S141 VanDerWaalsContact C-N 3.33Å; I139-S141 PolarHBondContact O-N 3.28Å; S141-A143 PolarHBondContact O-N 3.19Å; S141-G144 PolarHBondContact O-N 3.13Å; S141-Y145 VanDerWaalsContact O-CB 3.31Å; S141-Y145 WeakPolarHBondContact O-CB 3.41Å; S141-Y145 PolarHBondContact O-N 2.9Å
142	V	79.4	Confident	73.4	Confident	103 Å²	103	68.2 Å²	68.2	62%	0.624	39%	0.387	S	S	*	.	H	α-helix	trans	-62.4	-45.5	179.7	172	0	0	0	0	110.9	L138 I139 Y145 A146	L138-V142 WeakPolarHBondContact O-CG2 3.3Å; L138-V142 PolarHBondContact O-N 3.42Å; I139-V142 PolarHBondContact O-N 3.42Å; V142-Y145 PolarHBondContact O-N 3.08Å; V142-A146 WeakPolarHBondContact O-CB 3.15Å; V142-A146 PolarHBondContact O-N 2.64Å
143	A	77.3	Confident	70.9	Confident	44 Å²	44	69.5 Å²	69.5	36%	0.364	39%	0.394	S	S	.	.	H	α-helix	trans	-62.6	-46.1	176.6	0	0	0	0	0	111.6	I139 L140 S141 Y145 A146 I147	I139-A143 WeakPolarHBondContact O-CB 3.13Å; I139-A143 PolarHBondContact O-N 2.86Å; L140-A143 PolarHBondContact O-N 2.9Å; S141-A143 PolarHBondContact O-N 3.19Å; A143-Y145 PolarHBondContact O-N 2.72Å; A143-A146 PolarHBondContact O-N 2.67Å; A143-I147 WeakPolarHBondContact O-CB 3.43Å; A143-I147 WeakPolarHBondContact O-CD1 3.43Å; A143-I147 WeakPolarHBondContact O-CG1 3.32Å; A143-I147 PolarHBondContact O-N 3.07Å
144	G	74.9	Confident	68.4	Low	10 Å²	10	75 Å²	75	10%	0.103	41%	0.414	C	S	.	.	H	α-helix	trans	-61.6	-41.6	177.4	0	0	0	0	0	113	L140 S141 C148	L140-G144 PolarHBondContact O-N 3.07Å; S141-G144 PolarHBondContact O-N 3.13Å; G144-C148 VanDerWaalsContact O-CB 3.3Å; G144-C148 WeakPolarHBondContact O-CB 3.2Å; G144-C148 PolarHBondContact O-N 3.38Å; G144-C148 PolarHBondContact O-SG 2.73Å
145	Y	71.7	Confident	66.1	Low	136 Å²	136	78.1 Å²	78.1	53%	0.533	44%	0.441	S	S	.	.	H	α-helix	trans	-62.6	-50.2	173.3	-174.1	-95.6	0	0	0	111	S141 V142 A143 I147 C148 H149	S141-Y145 VanDerWaalsContact O-CB 3.31Å; S141-Y145 WeakPolarHBondContact O-CB 3.41Å; S141-Y145 PolarHBondContact O-N 2.9Å; V142-Y145 PolarHBondContact O-N 3.08Å; A143-Y145 PolarHBondContact O-N 2.72Å; Y145-I147 VanDerWaalsContact C-N 3.35Å; Y145-I147 PolarHBondContact O-N 2.88Å; Y145-C148 PolarHBondContact O-N 2.87Å; Y145-H149 HydrophobicContact CE1-CB 4.42Å; Y145-H149 AromaticContact CE2-CD2 3.72Å; Y145-H149 AromaticContact CZ-CD2 3.47Å; Y145-H149 VanDerWaalsContact CZ-CD2 3.47Å; Y145-H149 WeakPolarHBondContact O-CB 3.29Å; Y145-H149 PolarHBondContact O-N 3.41Å; Y145-H149 PolarHBondContact OH-CD2 3.39Å
146	A	70.4	Confident	63.4	Low	55 Å²	55	81.2 Å²	81.2	46%	0.455	45%	0.454	S	S	.	.	H	α-helix	trans	-59.3	-43.5	179.2	0	0	0	0	0	112.2	V142 A143 S150	V142-A146 WeakPolarHBondContact O-CB 3.15Å; V142-A146 PolarHBondContact O-N 2.64Å; A143-A146 PolarHBondContact O-N 2.67Å; A146-S150 VanDerWaalsContact O-CB 3.25Å; A146-S150 WeakPolarHBondContact O-CB 3.39Å; A146-S150 PolarHBondContact O-N 3.09Å
147	I	70.5	Confident	60.6	Low	114 Å²	114	82.8 Å²	82.8	59%	0.585	48%	0.475	S	S	*	.	H	α-helix	trans	-64.4	-49.6	177.4	-67.7	163.9	0	0	0	110.5	A143 Y145 H149 S150	A143-I147 WeakPolarHBondContact O-CB 3.43Å; A143-I147 WeakPolarHBondContact O-CD1 3.43Å; A143-I147 WeakPolarHBondContact O-CG1 3.32Å; A143-I147 PolarHBondContact O-N 3.07Å; Y145-I147 VanDerWaalsContact C-N 3.35Å; Y145-I147 PolarHBondContact O-N 2.88Å; I147-H149 VanDerWaalsContact C-N 3.33Å; I147-H149 PolarHBondContact O-N 2.95Å; I147-S150 PolarHBondContact O-N 3.25Å; I147-S150 PolarHBondContact O-OG 3.45Å
148	C	62.5	Low	57.8	Low	39 Å²	39	83.5 Å²	83.5	26%	0.264	49%	0.491	S	S	.	.	H	α-helix	trans	-64.6	-36.4	-179.2	-71.9	0	0	0	0	112.8	K64 G144 Y145	K64-C148 WeakPolarHBondContact CE-SG 3.45Å; G144-C148 VanDerWaalsContact O-CB 3.3Å; G144-C148 WeakPolarHBondContact O-CB 3.2Å; G144-C148 PolarHBondContact O-N 3.38Å; G144-C148 PolarHBondContact O-SG 2.73Å; Y145-C148 PolarHBondContact O-N 2.87Å
149	H	56.9	Low	55.1	Low	75 Å²	75	89 Å²	89	35%	0.347	52%	0.519	S	S	.	.	H	α-helix	trans	-88.6	-18	-178.4	-122.8	-57.6	0	0	0	113.8	Y145 I147 Q151 T152 L153	Y145-H149 HydrophobicContact CE1-CB 4.42Å; Y145-H149 AromaticContact CE2-CD2 3.72Å; Y145-H149 AromaticContact CZ-CD2 3.47Å; Y145-H149 VanDerWaalsContact CZ-CD2 3.47Å; Y145-H149 WeakPolarHBondContact O-CB 3.29Å; Y145-H149 PolarHBondContact O-N 3.41Å; Y145-H149 PolarHBondContact OH-CD2 3.39Å; I147-H149 VanDerWaalsContact C-N 3.33Å; I147-H149 PolarHBondContact O-N 2.95Å; H149-Q151 PolarHBondContact O-N 3.49Å; H149-T152 PolarHBondContact ND1-OG1 2.66Å; H149-T152 PolarHBondContact O-N 3.13Å; H149-L153 PolarHBondContact O-N 3.45Å
150	S	48.1	Very low	52.5	Low	64 Å²	64	90.2 Å²	90.2	45%	0.448	53%	0.532	S	S	.	.	H	α-helix	trans	-61	-28.1	171	76.6	0	0	0	0	111.9	A146 I147	A146-S150 VanDerWaalsContact O-CB 3.25Å; A146-S150 WeakPolarHBondContact O-CB 3.39Å; A146-S150 PolarHBondContact O-N 3.09Å; I147-S150 PolarHBondContact O-N 3.25Å; I147-S150 PolarHBondContact O-OG 3.45Å
151	Q	43.3	Very low	49.9	Very low	142 Å²	142	93.4 Å²	93.4	66%	0.664	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-27.6	173.2	-69.6	-173.9	-24.7	0	0	113	H149	H149-Q151 PolarHBondContact O-N 3.49Å
152	T	38.8	Very low	47.8	Very low	62 Å²	62	98.7 Å²	98.7	38%	0.38	58%	0.58	S	S	.	*	T	Hydrogen-bonded Turn	trans	-90.6	-24	178.4	-10.1	0	0	0	0	112.9	H149 H154 A155	H149-T152 PolarHBondContact ND1-OG1 2.66Å; H149-T152 PolarHBondContact O-N 3.13Å; T152-H154 PolarHBondContact O-N 2.82Å; T152-A155 PolarHBondContact O-N 2.92Å
153	L	33.2	Very low	45.7	Very low	139 Å²	139	103.2 Å²	103.2	73%	0.728	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.7	-15	178.2	-104.8	131.1	0	0	0	113.5	H149	H149-L153 PolarHBondContact O-N 3.45Å
154	H	33.4	Very low	43.6	Very low	182 Å²	182	108.3 Å²	108.3	84%	0.843	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.7	-13.7	168.5	-87.7	-71.9	0	0	0	114.4	T152	T152-H154 PolarHBondContact O-N 2.82Å
155	A	37.4	Very low	42.1	Very low	77 Å²	77	116 Å²	116	64%	0.636	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.3	-17.2	-168.7	0	0	0	0	0	115.8	T152	T152-A155 PolarHBondContact O-N 2.92Å
156	I	29.2	Very low	40.4	Very low	125 Å²	125	113.6 Å²	113.6	64%	0.641	65%	0.646	S	S	*	*			trans	-139.4	88.3	-177.5	-51.2	178.4	0	0	0	110.5
157	G	26.4	Very low	38.8	Very low	81 Å²	81	113.6 Å²	113.6	84%	0.835	65%	0.652	S	S	*	*			trans	-64.7	129.7	152.6	0	0	0	0	0	109.5
158	G	26.6	Very low	37.4	Very low	53 Å²	53	113.3 Å²	113.3	55%	0.546	65%	0.652	S	S	.	*	S	Bend	trans	80.9	122.8	160.5	0	0	0	0	0	116.9
159	I	28.7	Very low	36.3	Very low	157 Å²	157	119.1 Å²	119.1	81%	0.805	67%	0.668	S	S	*	*			trans	70.2	89.2	143.3	-49.8	164.9	0	0	0	113.7
160	T	30.2	Very low	35.6	Very low	133 Å²	133	119.8 Å²	119.8	82%	0.816	68%	0.677	S	S	*	*				-177.5	101.5	92.5	12.9	0	0	0	0	111
161	L	29.3	Very low	35.3	Very low	165 Å²	165	123.4 Å²	123.4	86%	0.864	69%	0.685	S	S	*	*			trans	-149.6	60.1	168.2	-118.1	147.4	0	0	0	110.6
162	V	35.7	Very low	35.6	Very low	117 Å²	117	123 Å²	123	71%	0.709	68%	0.683	S	S	*	*			trans	-129.8	49.9	178.2	-170.3	0	0	0	0	110.9
163	K	35	Very low	36	Very low	198 Å²	198	121.8 Å²	121.8	86%	0.861	68%	0.677	S	S	*	*	S	Bend	trans	-137.9	9.1	174.6	-121.2	-179.2	-177.6	-177	0	120.6
164	N	33.9	Very low	36.8	Very low	150 Å²	150	119.8 Å²	119.8	80%	0.802	67%	0.666	S	S	*	*			trans	-142.1	84.1	163.6	-85.2	-25.4	0	0	0	109.3
165	R	43.1	Very low	37.5	Very low	173 Å²	173	114 Å²	114	65%	0.653	64%	0.637	S	S	*	*			trans	-121.6	1.5	-169.7	-120.4	-173.6	-162.8	-175	5.2	116.7
166	A	36.5	Very low	38.4	Very low	84 Å²	84	115.7 Å²	115.7	69%	0.694	64%	0.635	S	S	*	*	S	Bend	trans	-91.6	-44	179.5	0	0	0	0	0	113.2	V170	A166-V170 WeakPolarHBondContact O-CG2 3.39Å
167	G	36.5	Very low	39.7	Very low	55 Å²	55	115.2 Å²	115.2	57%	0.567	63%	0.632	S	S	*	*	H	α-helix	trans	-71.8	-44.8	-178.1	0	0	0	0	0	113.9	W169 V170 F171	G167-W169 PolarHBondContact O-N 3.04Å; G167-V170 PolarHBondContact O-N 3.47Å; G167-F171 PolarHBondContact O-N 3.48Å
168	D	41.2	Very low	40.8	Very low	109 Å²	109	114 Å²	114	58%	0.583	61%	0.609	S	S	*	*	H	α-helix	trans	-69.7	-32	-176.6	-70.6	-16.8	0	0	0	112.9	F171 Q172	D168-F171 PolarHBondContact O-N 3.11Å; D168-Q172 WeakPolarHBondContact O-CB 2.83Å; D168-Q172 WeakPolarHBondContact O-CG 3.41Å; D168-Q172 PolarHBondContact O-N 3.27Å
169	W	38.7	Very low	42.3	Very low	161 Å²	161	113.4 Å²	113.4	61%	0.61	59%	0.593	S	S	*	*	H	α-helix	trans	-70.5	-38.3	179.7	-121.5	82.4	0	0	0	112.3	G167 S173	G167-W169 PolarHBondContact O-N 3.04Å; W169-S173 WeakPolarHBondContact O-CB 3.36Å; W169-S173 PolarHBondContact O-N 2.78Å; W169-S173 PolarHBondContact O-OG 2.83Å
170	V	42.9	Very low	43.7	Very low	88 Å²	88	108.9 Å²	108.9	53%	0.533	58%	0.575	S	S	.	*	H	α-helix	trans	-66.8	-43.8	176.5	174.9	0	0	0	0	110	A166 G167 S173 I174	A166-V170 WeakPolarHBondContact O-CG2 3.39Å; G167-V170 PolarHBondContact O-N 3.47Å; V170-S173 PolarHBondContact O-N 3.17Å; V170-I174 HydrophobicContact CG1-CD1 3.76Å; V170-I174 VanDerWaalsContact O-CG1 3.28Å; V170-I174 WeakPolarHBondContact O-CG1 3.27Å; V170-I174 PolarHBondContact O-N 3.41Å
171	F	41.6	Very low	44.8	Very low	141 Å²	141	105.6 Å²	105.6	62%	0.618	56%	0.557	S	S	*	*	H	α-helix	trans	-65.2	-45.9	178.3	-135.7	-93.7	0	0	0	111.7	G167 D168 S173 W175	G167-F171 PolarHBondContact O-N 3.48Å; D168-F171 PolarHBondContact O-N 3.11Å; F171-S173 PolarHBondContact O-N 2.93Å; F171-W175 AromaticContact CD1-CD1 3.6Å; F171-W175 AromaticContact CD1-NE1 3.8Å; F171-W175 AromaticContact CE1-CD1 3.83Å; F171-W175 AromaticContact CE1-NE1 3.54Å; F171-W175 WeakPolarHBondContact O-CB 3.33Å; F171-W175 VanDerWaalsContact O-CD1 3.26Å; F171-W175 PolarHBondContact O-N 3.15Å
172	Q	50	Low	46	Very low	132 Å²	132	101.1 Å²	101.1	62%	0.617	53%	0.529	S	S	*	.	H	α-helix	trans	-65.2	-35.7	176.8	-73.8	-161	-4.2	0	0	113.2	D168 W175 L176	D168-Q172 WeakPolarHBondContact O-CB 2.83Å; D168-Q172 WeakPolarHBondContact O-CG 3.41Å; D168-Q172 PolarHBondContact O-N 3.27Å; Q172-W175 PolarHBondContact O-N 3.42Å; Q172-L176 WeakPolarHBondContact O-CB 3.42Å; Q172-L176 WeakPolarHBondContact O-CG 3.17Å; Q172-L176 PolarHBondContact O-N 3.27Å
173	S	47.3	Very low	47.2	Very low	38 Å²	38	99.4 Å²	99.4	27%	0.266	52%	0.515	S	S	.	.	H	α-helix	trans	-69.3	-45.1	178.9	-60.7	0	0	0	0	111.9	W169 V170 F171 W175 L176 I177	W169-S173 WeakPolarHBondContact O-CB 3.36Å; W169-S173 PolarHBondContact O-N 2.78Å; W169-S173 PolarHBondContact O-OG 2.83Å; V170-S173 PolarHBondContact O-N 3.17Å; F171-S173 PolarHBondContact O-N 2.93Å; S173-W175 PolarHBondContact O-N 2.76Å; S173-L176 PolarHBondContact O-N 3.35Å; S173-I177 WeakPolarHBondContact O-CB 3.2Å; S173-I177 WeakPolarHBondContact O-CD1 3.33Å; S173-I177 WeakPolarHBondContact O-CG1 3.25Å; S173-I177 PolarHBondContact O-N 2.86Å
174	I	48.8	Very low	48.1	Very low	96 Å²	96	96.2 Å²	96.2	49%	0.492	51%	0.505	S	S	.	.	H	α-helix	trans	-61.5	-38.4	175.2	-67.1	168.4	0	0	0	110.2	V170 I177 T178	V170-I174 HydrophobicContact CG1-CD1 3.76Å; V170-I174 VanDerWaalsContact O-CG1 3.28Å; V170-I174 WeakPolarHBondContact O-CG1 3.27Å; V170-I174 PolarHBondContact O-N 3.41Å; I174-I177 PolarHBondContact O-N 2.85Å; I174-T178 WeakPolarHBondContact O-CB 3.36Å; I174-T178 PolarHBondContact O-N 3.39Å; I174-T178 PolarHBondContact O-OG1 2.62Å
175	W	49.3	Very low	48.9	Very low	62 Å²	62	94.2 Å²	94.2	24%	0.235	49%	0.49	C	S	.	.	H	α-helix	trans	-64.1	-48.9	176.1	-98.9	88.1	0	0	0	113.5	S53 F171 Q172 S173 I177 T178 I179	S53-W175 VanDerWaalsContact CB-CH2 3.42Å; S53-W175 WeakPolarHBondContact OG-CH2 3.4Å; S53-W175 WeakPolarHBondContact OG-CZ2 3.28Å; F171-W175 AromaticContact CD1-CD1 3.6Å; F171-W175 AromaticContact CD1-NE1 3.8Å; F171-W175 AromaticContact CE1-CD1 3.83Å; F171-W175 AromaticContact CE1-NE1 3.54Å; F171-W175 WeakPolarHBondContact O-CB 3.33Å; F171-W175 VanDerWaalsContact O-CD1 3.26Å; F171-W175 PolarHBondContact O-N 3.15Å; Q172-W175 PolarHBondContact O-N 3.42Å; S173-W175 PolarHBondContact O-N 2.76Å; W175-I177 VanDerWaalsContact C-N 3.28Å; W175-I177 PolarHBondContact O-N 3.41Å; W175-T178 PolarHBondContact O-N 2.91Å; W175-I179 HydrophobicContact CE3-CD1 3.6Å; W175-I179 HydrophobicContact CE3-CG1 4.03Å; W175-I179 HydrophobicContact CZ3-CD1 3.9Å; W175-I179 HydrophobicContact CZ3-CG1 4.2Å; W175-I179 PolarHBondContact O-N 3.43Å
176	L	55.8	Low	49.3	Very low	112 Å²	112	88.3 Å²	88.3	59%	0.586	48%	0.478	S	S	*	.	H	α-helix	trans	-61.5	-38.2	176.5	-79.9	167.3	0	0	0	111.6	Q172 S173 S180	Q172-L176 WeakPolarHBondContact O-CB 3.42Å; Q172-L176 WeakPolarHBondContact O-CG 3.17Å; Q172-L176 PolarHBondContact O-N 3.27Å; S173-L176 PolarHBondContact O-N 3.35Å; L176-S180 WeakPolarHBondContact O-CA 3.44Å; L176-S180 WeakPolarHBondContact O-CB 3.47Å; L176-S180 PolarHBondContact O-N 2.92Å; L176-S180 PolarHBondContact O-OG 3.41Å
177	I	56.8	Low	50.2	Low	114 Å²	114	88.2 Å²	88.2	59%	0.585	47%	0.469	S	S	*	.	H	α-helix	trans	-66.6	-41.5	175.7	-67.4	164.2	0	0	0	110.6	S173 I174 W175 S181	S173-I177 WeakPolarHBondContact O-CB 3.2Å; S173-I177 WeakPolarHBondContact O-CD1 3.33Å; S173-I177 WeakPolarHBondContact O-CG1 3.25Å; S173-I177 PolarHBondContact O-N 2.86Å; I174-I177 PolarHBondContact O-N 2.85Å; W175-I177 VanDerWaalsContact C-N 3.28Å; W175-I177 PolarHBondContact O-N 3.41Å; I177-S181 VanDerWaalsContact O-CB 3.24Å; I177-S181 WeakPolarHBondContact O-CB 3.3Å; I177-S181 PolarHBondContact O-N 3.33Å; I177-S181 PolarHBondContact O-OG 3.36Å
178	T	50	Low	51.1	Low	55 Å²	55	92.2 Å²	92.2	34%	0.337	47%	0.468	S	S	.	.	H	α-helix	trans	-69.6	-46.9	-178.8	-51.2	0	0	0	0	111.1	I174 W175 S181 Y182	I174-T178 WeakPolarHBondContact O-CB 3.36Å; I174-T178 PolarHBondContact O-N 3.39Å; I174-T178 PolarHBondContact O-OG1 2.62Å; W175-T178 PolarHBondContact O-N 2.91Å; T178-S181 WeakPolarHBondContact CA-OG 3.49Å; T178-S181 PolarHBondContact O-N 2.77Å; T178-S181 PolarHBondContact O-OG 2.87Å; T178-Y182 PolarHBondContact O-N 2.92Å
179	I	57.5	Low	51.5	Low	41 Å²	41	90.2 Å²	90.2	21%	0.21	45%	0.454	C	S	.	.	H	α-helix	trans	-62.8	-46	174.1	-68.7	171.3	0	0	0	110.4	L138 W175 S181 Y182 I183	L138-I179 HydrophobicContact CD1-CD1 3.55Å; W175-I179 HydrophobicContact CE3-CD1 3.6Å; W175-I179 HydrophobicContact CE3-CG1 4.03Å; W175-I179 HydrophobicContact CZ3-CD1 3.9Å; W175-I179 HydrophobicContact CZ3-CG1 4.2Å; W175-I179 PolarHBondContact O-N 3.43Å; I179-S181 VanDerWaalsContact C-N 3.3Å; I179-S181 PolarHBondContact O-N 2.89Å; I179-Y182 PolarHBondContact O-N 3.34Å; I179-I183 HydrophobicContact CG2-CD1 3.53Å; I179-I183 HydrophobicContact CG2-CG1 4.09Å; I179-I183 WeakPolarHBondContact O-CB 3.47Å; I179-I183 VanDerWaalsContact O-CG1 3.31Å; I179-I183 WeakPolarHBondContact O-CG1 3.38Å; I179-I183 PolarHBondContact O-N 2.95Å
180	S	58	Low	52.1	Low	63 Å²	63	89.4 Å²	89.4	44%	0.441	46%	0.455	S	S	.	.	H	α-helix	trans	-61.9	-40.1	178.5	-63.9	0	0	0	0	111.2	L176 M184	L176-S180 WeakPolarHBondContact O-CA 3.44Å; L176-S180 WeakPolarHBondContact O-CB 3.47Å; L176-S180 PolarHBondContact O-N 2.92Å; L176-S180 PolarHBondContact O-OG 3.41Å; S180-M184 WeakPolarHBondContact O-CB 3.39Å; S180-M184 WeakPolarHBondContact O-CG 3.49Å; S180-M184 PolarHBondContact O-N 3.24Å
181	S	54	Low	52.6	Low	63 Å²	63	87.2 Å²	87.2	44%	0.441	45%	0.446	S	S	.	.	H	α-helix	trans	-68.4	-37.2	176.5	60.8	0	0	0	0	112.2	I177 T178 I179 M184 F185	I177-S181 VanDerWaalsContact O-CB 3.24Å; I177-S181 WeakPolarHBondContact O-CB 3.3Å; I177-S181 PolarHBondContact O-N 3.33Å; I177-S181 PolarHBondContact O-OG 3.36Å; T178-S181 WeakPolarHBondContact CA-OG 3.49Å; T178-S181 PolarHBondContact O-N 2.77Å; T178-S181 PolarHBondContact O-OG 2.87Å; I179-S181 VanDerWaalsContact C-N 3.3Å; I179-S181 PolarHBondContact O-N 2.89Å; S181-M184 PolarHBondContact O-N 3.25Å; S181-F185 WeakPolarHBondContact O-CB 3.49Å; S181-F185 PolarHBondContact O-N 3.35Å
182	Y	54.5	Low	53.1	Low	71 Å²	71	86.3 Å²	86.3	28%	0.278	44%	0.442	S	S	.	.	H	α-helix	trans	-69.9	-42.8	174.9	-126.4	-88.3	0	0	0	112.5	I46 T178 I179 F185 A186	I46-Y182 HydrophobicContact CG2-CE2 4.25Å; T178-Y182 PolarHBondContact O-N 2.92Å; I179-Y182 PolarHBondContact O-N 3.34Å; Y182-F185 PolarHBondContact O-N 2.8Å; Y182-A186 WeakPolarHBondContact O-CB 3.27Å; Y182-A186 PolarHBondContact O-N 3.17Å
183	I	59.1	Low	52.8	Low	81 Å²	81	84 Å²	84	42%	0.415	43%	0.434	S	S	.	.	H	α-helix	trans	-62.8	-46.5	173	-69.1	174.4	0	0	0	109	I179 F185 A186 V187	I179-I183 HydrophobicContact CG2-CD1 3.53Å; I179-I183 HydrophobicContact CG2-CG1 4.09Å; I179-I183 WeakPolarHBondContact O-CB 3.47Å; I179-I183 VanDerWaalsContact O-CG1 3.31Å; I179-I183 WeakPolarHBondContact O-CG1 3.38Å; I179-I183 PolarHBondContact O-N 2.95Å; I183-F185 VanDerWaalsContact C-N 3.3Å; I183-F185 PolarHBondContact O-N 2.98Å; I183-A186 PolarHBondContact O-N 3.09Å; I183-V187 HydrophobicContact CG2-CG2 3.98Å; I183-V187 WeakPolarHBondContact O-CA 3.2Å; I183-V187 WeakPolarHBondContact O-CB 3.28Å; I183-V187 WeakPolarHBondContact O-CG2 3.31Å; I183-V187 PolarHBondContact O-N 3Å
184	M	54.8	Low	52.6	Low	131 Å²	131	83.4 Å²	83.4	65%	0.645	43%	0.428	S	S	*	.	H	α-helix	trans	-63.4	-36.7	177.2	-73.9	-69.2	-71.8	0	0	111.7	S180 S181 Y188	S180-M184 WeakPolarHBondContact O-CB 3.39Å; S180-M184 WeakPolarHBondContact O-CG 3.49Å; S180-M184 PolarHBondContact O-N 3.24Å; S181-M184 PolarHBondContact O-N 3.25Å; M184-Y188 WeakPolarHBondContact O-CA 3.22Å; M184-Y188 WeakPolarHBondContact O-CB 3.31Å; M184-Y188 PolarHBondContact O-N 3.15Å
185	F	51.3	Low	52.4	Low	108 Å²	108	82.3 Å²	82.3	47%	0.474	43%	0.425	S	S	.	.	H	α-helix	trans	-71.1	-43.9	175.9	-176.9	-104.5	0	0	0	111.8	S181 Y182 I183 Y188 K189	S181-F185 WeakPolarHBondContact O-CB 3.49Å; S181-F185 PolarHBondContact O-N 3.35Å; Y182-F185 PolarHBondContact O-N 2.8Å; I183-F185 VanDerWaalsContact C-N 3.3Å; I183-F185 PolarHBondContact O-N 2.98Å; F185-Y188 WeakPolarHBondContact O-CB 3.24Å; F185-Y188 PolarHBondContact O-N 3.34Å; F185-K189 HydrophobicContact CE1-CD 4.31Å; F185-K189 WeakPolarHBondContact O-CB 3.47Å; F185-K189 PolarHBondContact O-N 3.08Å
186	A	50.9	Low	51.8	Low	50 Å²	50	84.1 Å²	84.1	41%	0.413	44%	0.439	S	S	.	.	H	α-helix	trans	-65.7	-42.7	175.7	0	0	0	0	0	111.1	Y182 I183 Y188 K189 F190	Y182-A186 WeakPolarHBondContact O-CB 3.27Å; Y182-A186 PolarHBondContact O-N 3.17Å; I183-A186 PolarHBondContact O-N 3.09Å; A186-Y188 VanDerWaalsContact C-N 3.34Å; A186-K189 PolarHBondContact O-N 3.19Å; A186-F190 WeakPolarHBondContact O-CA 3.45Å; A186-F190 WeakPolarHBondContact O-CB 3.15Å; A186-F190 PolarHBondContact O-N 3.03Å
187	V	55.8	Low	51	Low	82 Å²	82	83 Å²	83	50%	0.497	43%	0.431	S	S	.	.	H	α-helix	trans	-65.2	-38	171.8	170.6	0	0	0	0	110.3	I183 A191	I183-V187 HydrophobicContact CG2-CG2 3.98Å; I183-V187 WeakPolarHBondContact O-CA 3.2Å; I183-V187 WeakPolarHBondContact O-CB 3.28Å; I183-V187 WeakPolarHBondContact O-CG2 3.31Å; I183-V187 PolarHBondContact O-N 3Å; V187-A191 WeakPolarHBondContact O-CA 3.26Å; V187-A191 WeakPolarHBondContact O-CB 3.42Å; V187-A191 PolarHBondContact O-N 3.33Å
188	Y	55.9	Low	50.3	Low	138 Å²	138	85.1 Å²	85.1	54%	0.541	43%	0.432	S	S	.	.	H	α-helix	trans	-65.4	-45.4	174.4	167.4	-102.1	0	0	0	111.2	M184 F185 A186 A191 K192	M184-Y188 WeakPolarHBondContact O-CA 3.22Å; M184-Y188 WeakPolarHBondContact O-CB 3.31Å; M184-Y188 PolarHBondContact O-N 3.15Å; F185-Y188 WeakPolarHBondContact O-CB 3.24Å; F185-Y188 PolarHBondContact O-N 3.34Å; A186-Y188 VanDerWaalsContact C-N 3.34Å; Y188-A191 PolarHBondContact O-N 2.65Å; Y188-K192 WeakPolarHBondContact O-CB 3.13Å; Y188-K192 PolarHBondContact O-N 3.5Å
189	K	48.5	Very low	49.7	Very low	67 Å²	67	88.9 Å²	88.9	29%	0.291	44%	0.443	S	S	.	.	H	α-helix	trans	-65.8	-47.5	177.8	-128.7	-172.2	-176.7	177.3	0	110.7	N124 F185 A186 K192 D193	N124-K189 PolarHBondContact OD1-NZ 2Å; F185-K189 HydrophobicContact CE1-CD 4.31Å; F185-K189 WeakPolarHBondContact O-CB 3.47Å; F185-K189 PolarHBondContact O-N 3.08Å; A186-K189 PolarHBondContact O-N 3.19Å; K189-K192 PolarHBondContact O-N 3.4Å; K189-D193 WeakPolarHBondContact O-CB 3.39Å; K189-D193 PolarHBondContact O-N 3.41Å
190	F	50.8	Low	48.6	Very low	144 Å²	144	90.6 Å²	90.6	63%	0.632	45%	0.452	S	S	*	.	H	α-helix	trans	-65	-40.5	176.4	-168.1	-88.4	0	0	0	111	A186 K192 D193 D194	A186-F190 WeakPolarHBondContact O-CA 3.45Å; A186-F190 WeakPolarHBondContact O-CB 3.15Å; A186-F190 PolarHBondContact O-N 3.03Å; F190-K192 VanDerWaalsContact C-N 3.34Å; F190-D193 PolarHBondContact O-N 3.01Å; F190-D194 HydrophobicContact CD1-CB 3.99Å; F190-D194 HydrophobicContact CE1-CB 3.9Å; F190-D194 VanDerWaalsContact O-CA 3.32Å; F190-D194 WeakPolarHBondContact O-CA 3.4Å; F190-D194 WeakPolarHBondContact O-CB 3.46Å; F190-D194 PolarHBondContact O-N 3.41Å
191	A	53.5	Low	47.3	Very low	43 Å²	43	93.9 Å²	93.9	36%	0.355	46%	0.455	S	S	.	.	H	α-helix	trans	-69.5	-33.3	174.6	0	0	0	0	0	111.1	V187 Y188 V195	V187-A191 WeakPolarHBondContact O-CA 3.26Å; V187-A191 WeakPolarHBondContact O-CB 3.42Å; V187-A191 PolarHBondContact O-N 3.33Å; Y188-A191 PolarHBondContact O-N 2.65Å; A191-V195 WeakPolarHBondContact O-CA 3.43Å; A191-V195 WeakPolarHBondContact O-CB 3.49Å; A191-V195 WeakPolarHBondContact O-CG2 3.44Å; A191-V195 PolarHBondContact O-N 3.05Å
192	K	51.9	Low	46.6	Very low	121 Å²	121	96 Å²	96	53%	0.526	47%	0.465	S	S	.	.	H	α-helix	trans	-67.4	-44.1	174.1	-172.8	178	178.5	178.9	0	110.9	Y188 K189 F190 L196	Y188-K192 WeakPolarHBondContact O-CB 3.13Å; Y188-K192 PolarHBondContact O-N 3.5Å; K189-K192 PolarHBondContact O-N 3.4Å; F190-K192 VanDerWaalsContact C-N 3.34Å; K192-L196 WeakPolarHBondContact O-CB 3.5Å; K192-L196 PolarHBondContact O-N 2.87Å
193	D	45.4	Very low	45.9	Very low	83 Å²	83	97.4 Å²	97.4	44%	0.444	48%	0.476	S	S	.	.	H	α-helix	trans	-77	-32.5	178.8	-72.9	-13.7	0	0	0	112.4	K189 F190 L196 Q197	K189-D193 WeakPolarHBondContact O-CB 3.39Å; K189-D193 PolarHBondContact O-N 3.41Å; F190-D193 PolarHBondContact O-N 3.01Å; D193-L196 CarbonylContact O-C 3.58Å; D193-L196 WeakPolarHBondContact O-CB 3.22Å; D193-L196 PolarHBondContact O-N 2.83Å; D193-Q197 VanDerWaalsContact O-CB 3.27Å; D193-Q197 WeakPolarHBondContact O-CB 3.23Å; D193-Q197 WeakPolarHBondContact O-CG 3.4Å; D193-Q197 PolarHBondContact O-N 2.85Å
194	D	41.4	Very low	44.5	Very low	26 Å²	26	97.2 Å²	97.2	14%	0.139	48%	0.481	C	S	.	.	H	α-helix	trans	-80.1	-30	175.3	-166.3	45.7	0	0	0	111	F190 L196 Q197 R198	F190-D194 HydrophobicContact CD1-CB 3.99Å; F190-D194 HydrophobicContact CE1-CB 3.9Å; F190-D194 VanDerWaalsContact O-CA 3.32Å; F190-D194 WeakPolarHBondContact O-CA 3.4Å; F190-D194 WeakPolarHBondContact O-CB 3.46Å; F190-D194 PolarHBondContact O-N 3.41Å; D194-L196 VanDerWaalsContact C-N 3.29Å; D194-Q197 PolarHBondContact O-N 2.94Å; D194-R198 WeakPolarHBondContact O-CA 3.42Å; D194-R198 WeakPolarHBondContact O-CB 3.31Å; D194-R198 WeakPolarHBondContact O-CG 3.4Å; D194-R198 PolarHBondContact O-N 2.79Å; D194-R198 IonicContact OD1-NE 3.36Å; D194-R198 IonicContact OD2-CZ 3.34Å; D194-R198 IonicContact OD2-NE 2.66Å; D194-R198 PolarHBondContact OD2-NE 2.81Å; D194-R198 IonicContact OD2-NH2 2.8Å; D194-R198 PolarHBondContact OD2-NH2 2.84Å
195	V	44.8	Very low	43.3	Very low	74 Å²	74	100 Å²	100	45%	0.448	48%	0.484	S	S	.	.	H	α-helix	trans	-67.4	-35.4	165.6	167.6	0	0	0	0	109.9	A191 K199	A191-V195 WeakPolarHBondContact O-CA 3.43Å; A191-V195 WeakPolarHBondContact O-CB 3.49Å; A191-V195 WeakPolarHBondContact O-CG2 3.44Å; A191-V195 PolarHBondContact O-N 3.05Å; V195-K199 HydrophobicContact CG1-CD 4.23Å; V195-K199 VanDerWaalsContact O-CB 3.26Å; V195-K199 WeakPolarHBondContact O-CB 3.2Å; V195-K199 VanDerWaalsContact O-CG 3.22Å; V195-K199 WeakPolarHBondContact O-CG 3.28Å; V195-K199 PolarHBondContact O-N 2.92Å
196	L	38.1	Very low	42.3	Very low	99 Å²	99	99 Å²	99	52%	0.518	49%	0.491	S	S	.	.	H	α-helix	trans	-67.7	-46.8	173.1	-164.4	72.7	0	0	0	110.8	K192 D193 D194 K199 I200	K192-L196 WeakPolarHBondContact O-CB 3.5Å; K192-L196 PolarHBondContact O-N 2.87Å; D193-L196 CarbonylContact O-C 3.58Å; D193-L196 WeakPolarHBondContact O-CB 3.22Å; D193-L196 PolarHBondContact O-N 2.83Å; D194-L196 VanDerWaalsContact C-N 3.29Å; L196-K199 PolarHBondContact O-N 3.13Å; L196-I200 HydrophobicContact CG-CD1 4.27Å; L196-I200 WeakPolarHBondContact O-CD1 3.07Å; L196-I200 VanDerWaalsContact O-CG1 3.23Å; L196-I200 WeakPolarHBondContact O-CG1 3.07Å; L196-I200 PolarHBondContact O-N 2.79Å
197	Q	38.3	Very low	41.4	Very low	90 Å²	90	101.9 Å²	101.9	42%	0.421	51%	0.507	S	S	.	.	H	α-helix	trans	-72.5	-32.6	179.9	-74.4	-71.9	-31.5	0	0	113.1	D193 D194 I200 R201	D193-Q197 VanDerWaalsContact O-CB 3.27Å; D193-Q197 WeakPolarHBondContact O-CB 3.23Å; D193-Q197 WeakPolarHBondContact O-CG 3.4Å; D193-Q197 PolarHBondContact O-N 2.85Å; D194-Q197 PolarHBondContact O-N 2.94Å; Q197-I200 CarbonylContact O-C 3.26Å; Q197-I200 PolarHBondContact O-N 2.82Å; Q197-R201 VanDerWaalsContact O-CB 3.24Å; Q197-R201 WeakPolarHBondContact O-CB 3.32Å; Q197-R201 PolarHBondContact O-N 3.12Å
198	R	41.3	Very low	40	Very low	158 Å²	158	102.3 Å²	102.3	60%	0.596	51%	0.51	S	S	*	.	H	α-helix	trans	-71.4	-37.8	171.1	-75.7	-178.4	-162.7	-165.5	7.1	110.8	D194 I200 R201 V202	D194-R198 WeakPolarHBondContact O-CA 3.42Å; D194-R198 WeakPolarHBondContact O-CB 3.31Å; D194-R198 WeakPolarHBondContact O-CG 3.4Å; D194-R198 PolarHBondContact O-N 2.79Å; D194-R198 IonicContact OD1-NE 3.36Å; D194-R198 IonicContact OD2-CZ 3.34Å; D194-R198 IonicContact OD2-NE 2.66Å; D194-R198 PolarHBondContact OD2-NE 2.81Å; D194-R198 IonicContact OD2-NH2 2.8Å; D194-R198 PolarHBondContact OD2-NH2 2.84Å; R198-I200 VanDerWaalsContact C-N 3.3Å; R198-I200 PolarHBondContact O-N 2.83Å; R198-R201 PolarHBondContact O-N 3.45Å; R198-V202 VanDerWaalsContact O-CB 3.28Å; R198-V202 WeakPolarHBondContact O-CB 3.46Å; R198-V202 WeakPolarHBondContact O-CG2 3.31Å; R198-V202 PolarHBondContact O-N 2.91Å
199	K	37.3	Very low	38.7	Very low	133 Å²	133	101.4 Å²	101.4	58%	0.578	52%	0.523	S	S	*	.	H	α-helix	trans	-63.7	-39.1	171.1	-78.7	177.8	177.8	-178.7	0	111.2	V195 L196 I203	V195-K199 HydrophobicContact CG1-CD 4.23Å; V195-K199 VanDerWaalsContact O-CB 3.26Å; V195-K199 WeakPolarHBondContact O-CB 3.2Å; V195-K199 VanDerWaalsContact O-CG 3.22Å; V195-K199 WeakPolarHBondContact O-CG 3.28Å; V195-K199 PolarHBondContact O-N 2.92Å; L196-K199 PolarHBondContact O-N 3.13Å; K199-I203 VanDerWaalsContact O-CD1 3.23Å; K199-I203 WeakPolarHBondContact O-CD1 3.41Å; K199-I203 WeakPolarHBondContact O-CG1 3.44Å; K199-I203 PolarHBondContact O-N 3.25Å
200	I	35.7	Very low	37.6	Very low	78 Å²	78	101.5 Å²	101.5	40%	0.4	54%	0.544	S	S	.	.	H	α-helix	trans	-69.4	-41.5	174.1	-66.4	163.9	0	0	0	111.4	L196 Q197 R198 I203 C204	L196-I200 HydrophobicContact CG-CD1 4.27Å; L196-I200 WeakPolarHBondContact O-CD1 3.07Å; L196-I200 VanDerWaalsContact O-CG1 3.23Å; L196-I200 WeakPolarHBondContact O-CG1 3.07Å; L196-I200 PolarHBondContact O-N 2.79Å; Q197-I200 CarbonylContact O-C 3.26Å; Q197-I200 PolarHBondContact O-N 2.82Å; R198-I200 VanDerWaalsContact C-N 3.3Å; R198-I200 PolarHBondContact O-N 2.83Å; I200-I203 WeakPolarHBondContact O-CB 3.16Å; I200-I203 PolarHBondContact O-N 3.37Å; I200-C204 PolarHBondContact O-N 2.89Å; I200-C204 PolarHBondContact O-SG 3.14Å; I200-C204 VanDerWaalsContact O-SG 3.4Å
201	R	30.9	Very low	36.3	Very low	132 Å²	132	102.4 Å²	102.4	50%	0.498	56%	0.555	S	S	.	*	H	α-helix	trans	-73	-32.6	179.9	-93.5	-173.1	-107.5	178.9	-3.5	114	Q197 R198 I203 C204 R205	Q197-R201 VanDerWaalsContact O-CB 3.24Å; Q197-R201 WeakPolarHBondContact O-CB 3.32Å; Q197-R201 PolarHBondContact O-N 3.12Å; R198-R201 PolarHBondContact O-N 3.45Å; R201-I203 VanDerWaalsContact C-N 3.29Å; R201-C204 PolarHBondContact O-N 2.9Å; R201-R205 WeakPolarHBondContact O-CB 3.45Å; R201-R205 PolarHBondContact O-N 3.47Å
202	V	39.1	Very low	35	Very low	107 Å²	107	106.1 Å²	106.1	65%	0.648	58%	0.578	S	S	*	*	H	α-helix	trans	-67	-36.6	171.7	170.6	0	0	0	0	109.7	R198 S206	R198-V202 VanDerWaalsContact O-CB 3.28Å; R198-V202 WeakPolarHBondContact O-CB 3.46Å; R198-V202 WeakPolarHBondContact O-CG2 3.31Å; R198-V202 PolarHBondContact O-N 2.91Å; V202-S206 PolarHBondContact O-N 2.82Å
203	I	38.2	Very low	33.7	Very low	100 Å²	100	106.7 Å²	106.7	51%	0.513	59%	0.592	S	S	.	*	H	α-helix	trans	-67	-38.8	172.1	-66.5	166	0	0	0	111.2	K199 I200 R201 V576	K199-I203 VanDerWaalsContact O-CD1 3.23Å; K199-I203 WeakPolarHBondContact O-CD1 3.41Å; K199-I203 WeakPolarHBondContact O-CG1 3.44Å; K199-I203 PolarHBondContact O-N 3.25Å; I200-I203 WeakPolarHBondContact O-CB 3.16Å; I200-I203 PolarHBondContact O-N 3.37Å; R201-I203 VanDerWaalsContact C-N 3.29Å; I203-V576 HydrophobicContact CD1-CG1 4.37Å
204	C	29.5	Very low	32.8	Very low	77 Å²	77	109.4 Å²	109.4	52%	0.52	61%	0.611	S	S	.	*	H	α-helix	trans	-78.6	-30.2	179.2	-69.8	0	0	0	0	114.8	I200 R201	I200-C204 PolarHBondContact O-N 2.89Å; I200-C204 PolarHBondContact O-SG 3.14Å; I200-C204 VanDerWaalsContact O-SG 3.4Å; R201-C204 PolarHBondContact O-N 2.9Å
205	R	30	Very low	31.9	Very low	189 Å²	189	116.8 Å²	116.8	71%	0.713	65%	0.645	S	S	*	*	H	α-helix	trans	-84.1	-11.9	-179.3	-77.5	-172	175.9	-172.2	-2.9	114.3	R201 C207	R201-R205 WeakPolarHBondContact O-CB 3.45Å; R201-R205 PolarHBondContact O-N 3.47Å; R205-C207 PolarHBondContact O-N 2.05Å
206	S	30.9	Very low	30.9	Very low	87 Å²	87	122.1 Å²	122.1	61%	0.608	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.6	-5.3	169.8	-162.5	0	0	0	0	113.4	V202	V202-S206 PolarHBondContact O-N 2.82Å
207	C	31.4	Very low	30.5	Very low	112 Å²	112	123.2 Å²	123.2	76%	0.757	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.5	4.6	177.4	-66.1	0	0	0	0	114	R205	R205-C207 PolarHBondContact O-N 2.05Å
208	T	27.9	Very low	29.9	Very low	91 Å²	91	125.7 Å²	125.7	56%	0.558	70%	0.699	S	S	*	*	S	Bend	trans	-135.6	92.7	178.1	44.7	0	0	0	0	111.6
209	S	27.9	Very low	29	Very low	118 Å²	118	123.7 Å²	123.7	83%	0.825	71%	0.705	S	S	*	*			trans	48.7	117.6	144.2	62.9	0	0	0	0	119.5
210	G	25.3	Very low	28.5	Very low	70 Å²	70	123.7 Å²	123.7	72%	0.722	72%	0.716	S	S	*	*				87.7	111	116.7	0	0	0	0	0	117.7
211	N	23.6	Very low	28.6	Very low	163 Å²	163	124.8 Å²	124.8	87%	0.872	73%	0.728	S	S	*	*			trans	44.5	108	147.7	-67.5	-13.1	0	0	0	118
212	S	26.5	Very low	28.2	Very low	120 Å²	120	125 Å²	125	84%	0.839	74%	0.744	S	S	*	*				-171.1	128.9	122.4	-79.2	0	0	0	0	111.5
213	V	23.5	Very low	27.7	Very low	134 Å²	134	124.2 Å²	124.2	81%	0.812	75%	0.749	S	S	*	*			trans	-62.1	131.6	174.1	174.8	0	0	0	0	110.4
214	V	26.4	Very low	27	Very low	139 Å²	139	129.9 Å²	129.9	84%	0.842	77%	0.77	S	S	*	*			trans	-137.6	123.9	160.7	-179.3	0	0	0	0	109.6
215	Q	23.4	Very low	26.8	Very low	181 Å²	181	131.5 Å²	131.5	85%	0.846	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-75	162.5	-179.1	-75.8	173.4	-46.3	0	0	113.7
216	E	24	Very low	26.5	Very low	187 Å²	187	129.4 Å²	129.4	87%	0.874	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-62.5	157.5	-171.5	-88.3	175.2	143.4	0	0	116.9
217	P	28.9	Very low	26.3	Very low	122 Å²	122	133.7 Å²	133.7	79%	0.792	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-97.4	137.9	-174	26	-9.9	0	0	0	113.8
218	T	25.7	Very low	26.2	Very low	142 Å²	142	138.5 Å²	138.5	87%	0.871	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-77.3	133.8	173.8	-9.8	0	0	0	0	112.3
219	T	23.5	Very low	26.2	Very low	116 Å²	116	136.7 Å²	136.7	71%	0.712	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-61.7	150.1	173	44.7	0	0	0	0	114.2
220	T	27.2	Very low	26.7	Very low	132 Å²	132	140.9 Å²	140.9	81%	0.81	81%	0.805	S	S	*	*				167.9	174.3	106.5	-10.3	0	0	0	0	110.8
221	P	36.5	Very low	27.6	Very low	102 Å²	102	143.7 Å²	143.7	66%	0.662	81%	0.809	S	S	*	*				-127.8	-174.6	-113.7	44.4	-25.7	0	0	0	116.9
222	T	23	Very low	29.3	Very low	136 Å²	136	139.3 Å²	139.3	83%	0.834	80%	0.795	S	S	*	*			trans	79.7	97.8	155.8	54.3	0	0	0	0	120.3
223	A	28.6	Very low	31.4	Very low	91 Å²	91	136.2 Å²	136.2	75%	0.752	77%	0.771	S	S	*	*			trans	-143.5	117.2	137.9	0	0	0	0	0	108.7	T225	A223-T225 VanDerWaalsContact C-N 3.27Å; A223-T225 PolarHBondContact O-N 2.97Å
224	K	23.4	Very low	34.1	Very low	218 Å²	218	135 Å²	135	95%	0.948	76%	0.76	S	S	*	*			trans	-66.4	82.5	177.7	-73.3	177.7	177.7	176.2	0	109.6
225	T	26.2	Very low	37	Very low	112 Å²	112	129.9 Å²	129.9	69%	0.687	73%	0.726	S	S	*	*			trans	-80.5	118.1	157.2	27.7	0	0	0	0	106.7	A223 K227	A223-T225 VanDerWaalsContact C-N 3.27Å; A223-T225 PolarHBondContact O-N 2.97Å; T225-K227 PolarHBondContact O-N 2.93Å
226	T	23.7	Very low	40	Very low	144 Å²	144	123.4 Å²	123.4	88%	0.883	70%	0.701	S	S	*	*			trans	-57.3	82.5	160.2	14.9	0	0	0	0	107.1	F228	T226-F228 PolarHBondContact O-N 3.12Å; T226-F228 VanDerWaalsContact O-N 3.13Å
227	K	25.4	Very low	43.1	Very low	177 Å²	177	115.8 Å²	115.8	77%	0.77	67%	0.672	S	S	*	*			trans	-50.1	123.1	161.7	-77.8	178.5	176.3	173.3	0	104.4	T225 G229	T225-K227 PolarHBondContact O-N 2.93Å; K227-G229 PolarHBondContact O-N 2.96Å
228	F	29.1	Very low	46.2	Very low	213 Å²	213	111.4 Å²	111.4	93%	0.934	65%	0.645	S	S	*	*			trans	-43.8	102.4	153.5	-98.1	-95	0	0	0	104.9	T226 K230	T226-F228 PolarHBondContact O-N 3.12Å; T226-F228 VanDerWaalsContact O-N 3.13Å; F228-K230 PolarHBondContact O-N 3.46Å; F228-K230 VanDerWaalsContact O-N 3.13Å
229	G	29.3	Very low	49.6	Very low	53 Å²	53	107.4 Å²	107.4	55%	0.546	62%	0.615	S	S	.	*			trans	-55.2	130	-175	0	0	0	0	0	104.7	K227 T231	K227-G229 PolarHBondContact O-N 2.96Å; G229-T231 PolarHBondContact O-N 2.86Å
230	K	37.4	Very low	53.1	Low	207 Å²	207	102 Å²	102	90%	0.9	58%	0.582	S	S	*	*			trans	-57.3	83.4	151.2	-70.2	176.2	176.9	179.1	0	104.4	F228 A232	F228-K230 PolarHBondContact O-N 3.46Å; F228-K230 VanDerWaalsContact O-N 3.13Å; K230-A232 VanDerWaalsContact C-N 3.26Å; K230-A232 PolarHBondContact O-N 3.02Å
231	T	44	Very low	56.4	Low	129 Å²	129	95.7 Å²	95.7	79%	0.791	54%	0.543	S	S	*	.			trans	-54.4	107.2	163	25.7	0	0	0	0	102.7	G229 T233	G229-T231 PolarHBondContact O-N 2.86Å; T231-T233 PolarHBondContact O-N 3.11Å
232	A	60.3	Low	59.4	Low	71 Å²	71	90.8 Å²	90.8	59%	0.587	51%	0.512	S	S	*	.			trans	-57.2	120	-178.9	0	0	0	0	0	105.7	K230 N234	K230-A232 VanDerWaalsContact C-N 3.26Å; K230-A232 PolarHBondContact O-N 3.02Å; A232-N234 PolarHBondContact O-N 3.23Å; A232-N234 VanDerWaalsContact O-N 3.09Å
233	T	70.7	Confident	62.9	Low	54 Å²	54	84.4 Å²	84.4	33%	0.331	47%	0.472	S	S	.	.			trans	-49.2	122.1	176.9	-51.2	0	0	0	0	108.7	T231 F235 S273 L287	T231-T233 PolarHBondContact O-N 3.11Å; T233-F235 HydrophobicContact CG2-CD2 4.45Å; T233-F235 HydrophobicContact CG2-CE1 4.08Å; T233-F235 HydrophobicContact CG2-CE2 3.9Å; T233-F235 HydrophobicContact CG2-CZ 3.71Å; T233-F235 WeakPolarHBondContact O-CD2 3.34Å; T233-F235 PolarHBondContact O-N 3.44Å; T233-S273 PolarHBondContact OG1-OG 2.92Å; T233-L287 HydrophobicContact CG2-CD1 3.24Å; T233-L287 HydrophobicContact CG2-CG 4.38Å
234	N	79.6	Confident	66.1	Low	110 Å²	110	80 Å²	80	59%	0.588	44%	0.436	S	S	*	.			trans	-87	103.4	-176.6	-176.9	9.7	0	0	0	110	A232 S236	A232-N234 PolarHBondContact O-N 3.23Å; A232-N234 VanDerWaalsContact O-N 3.09Å; N234-S236 PolarHBondContact ND2-OG 3.31Å; N234-S236 PolarHBondContact O-N 3.19Å; N234-S236 WeakPolarHBondContact OD1-CB 3.36Å; N234-S236 PolarHBondContact OD1-OG 2.66Å
235	F	86.4	Confident	69.5	Low	31 Å²	31	70.1 Å²	70.1	14%	0.136	39%	0.394	C	S	.	.			trans	-90	78.4	175.6	-60.6	-80.7	0	0	0	110.3	T233 L287 N288 L289 P323 L375	T233-F235 HydrophobicContact CG2-CD2 4.45Å; T233-F235 HydrophobicContact CG2-CE1 4.08Å; T233-F235 HydrophobicContact CG2-CE2 3.9Å; T233-F235 HydrophobicContact CG2-CZ 3.71Å; T233-F235 WeakPolarHBondContact O-CD2 3.34Å; T233-F235 PolarHBondContact O-N 3.44Å; F235-L287 CarbonylContact C-O 3.52Å; F235-L287 VanDerWaalsContact C-O 3.26Å; F235-L287 WeakPolarHBondContact CA-O 3.46Å; F235-L287 HydrophobicContact CD1-CB 3.72Å; F235-L287 HydrophobicContact CD1-CD1 4.27Å; F235-L287 HydrophobicContact CE1-CB 4.19Å; F235-L287 HydrophobicContact CE1-CD1 3.97Å; F235-N288 VanDerWaalsContact CD1-O 3.27Å; F235-N288 WeakPolarHBondContact CD1-O 3.49Å; F235-L289 HydrophobicContact CB-CB 3.97Å; F235-L289 HydrophobicContact CB-CD1 4.49Å; F235-L289 HydrophobicContact CB-CG 4.43Å; F235-P323 HydrophobicContact CD1-CG 4.05Å; F235-P323 VanDerWaalsContact CD2-CD 3.46Å; F235-P323 HydrophobicContact CD2-CG 3.9Å; F235-P323 HydrophobicContact CE1-CG 3.91Å; F235-P323 VanDerWaalsContact CE2-CD 3.42Å; F235-P323 HydrophobicContact CE2-CG 3.76Å; F235-P323 HydrophobicContact CG-CG 4.03Å; F235-P323 HydrophobicContact CZ-CG 3.75Å; F235-L375 HydrophobicContact CE1-CD2 4.06Å
236	S	86.4	Confident	72.7	Confident	45 Å²	45	64.8 Å²	64.8	32%	0.315	36%	0.361	S	S	.	.			trans	-112.8	9.1	-177.3	51.6	0	0	0	0	113.9	N234 K286 L287	N234-S236 PolarHBondContact ND2-OG 3.31Å; N234-S236 PolarHBondContact O-N 3.19Å; N234-S236 WeakPolarHBondContact OD1-CB 3.36Å; N234-S236 PolarHBondContact OD1-OG 2.66Å; S236-K286 VanDerWaalsContact C-CB 3.49Å; S236-K286 WeakPolarHBondContact O-CD 3.31Å; S236-K286 WeakPolarHBondContact OG-CB 3.18Å; S236-K286 WeakPolarHBondContact OG-CD 3.39Å; S236-K286 VanDerWaalsContact OG-CG 3.29Å; S236-K286 WeakPolarHBondContact OG-CG 3.28Å; S236-L287 PolarHBondContact N-O 3.48Å; S236-L287 VanDerWaalsContact N-O 3.12Å
237	G	90.5	Very high	75.5	Confident	26 Å²	26	59.2 Å²	59.2	27%	0.268	33%	0.328	S	S	.	.	S	Bend	trans	-77.8	-151.9	171.7	0	0	0	0	0	111.5	K286 L287	G237-K286 VanDerWaalsContact N-CB 3.35Å; G237-L287 WeakPolarHBondContact CA-O 3.1Å; G237-L287 PolarHBondContact N-O 3.42Å
238	S	94.1	Very high	77.7	Confident	30 Å²	30	54.4 Å²	54.4	21%	0.21	31%	0.305	C	S	.	.			trans	-66.5	142.2	179.8	-48.3	0	0	0	0	111	N288 L289 D359	S238-N288 WeakPolarHBondContact CB-OD1 3.34Å; S238-N288 PolarHBondContact N-OD1 2.89Å; S238-N288 CarbonylContact O-C 3.51Å; S238-N288 VanDerWaalsContact O-CA 3.26Å; S238-N288 WeakPolarHBondContact O-CA 3.39Å; S238-N288 WeakPolarHBondContact O-CB 3.48Å; S238-N288 PolarHBondContact OG-OD1 3.35Å; S238-L289 PolarHBondContact O-N 3.26Å; S238-D359 WeakPolarHBondContact CA-OD2 3.39Å
239	K	95.4	Very high	79.5	Confident	59 Å²	59	47.3 Å²	47.3	26%	0.257	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	112.1	168.7	-62.7	177.7	-174.1	174.9	0	108.4	D318 Y357 Y358 D359 Y360	K239-D318 IonicContact NZ-OD1 2.66Å; K239-D318 PolarHBondContact NZ-OD1 2.8Å; K239-Y357 WeakPolarHBondContact CD-O 3.44Å; K239-Y358 HydrophobicContact CB-CD1 4.05Å; K239-D359 PolarHBondContact N-OD2 3.31Å; K239-D359 PolarHBondContact O-N 2.65Å; K239-Y360 PolarHBondContact O-N 3.36Å
240	I	97.6	Very high	81	Confident	1 Å²	1	53.7 Å²	53.7	1%	0.005	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	124.1	-178.5	-58.3	172.3	0	0	0	109.5	N288 L289 V290 D291 Y358 Y360 I374 F423	I240-N288 HydrophobicContact CD1-CB 3.8Å; I240-N288 HydrophobicContact CG1-CB 4.46Å; I240-L289 PolarHBondContact N-O 2.75Å; I240-V290 HydrophobicContact CB-CG2 4.32Å; I240-V290 HydrophobicContact CD1-CG2 4.31Å; I240-V290 WeakPolarHBondContact O-CA 3.46Å; I240-D291 PolarHBondContact O-N 3.13Å; I240-Y358 VanDerWaalsContact C-CD1 3.44Å; I240-Y360 WeakPolarHBondContact CA-O 3.42Å; I240-I374 HydrophobicContact CD1-CG1 4.18Å; I240-F423 HydrophobicContact CD1-CE2 3.94Å; I240-F423 HydrophobicContact CD1-CZ 4.01Å; I240-F423 HydrophobicContact CG1-CE2 4.29Å; I240-F423 HydrophobicContact CG1-CZ 4.36Å; I240-F423 HydrophobicContact CG2-CE2 3.93Å
241	G	97.3	Very high	82.2	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	118.6	170.1	0	0	0	0	0	110.8	L243 Y360 F361 L362	G241-L243 PolarHBondContact O-N 2.57Å; G241-Y360 PolarHBondContact N-O 3.5Å; G241-F361 VanDerWaalsContact O-CA 3.31Å; G241-F361 WeakPolarHBondContact O-CA 3.4Å; G241-F361 WeakPolarHBondContact O-CD1 3.27Å; G241-L362 PolarHBondContact O-N 3.14Å
242	V	98.3	Very high	83.8	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	107.9	173.3	-176	0	0	0	0	108.5	L244 M262 V290 D291 L292 L293 L362 T364 L370 I374	V242-L244 HydrophobicContact CG1-CD2 4.28Å; V242-M262 HydrophobicContact CG1-SD 4.06Å; V242-V290 HydrophobicContact CG2-CG1 3.71Å; V242-D291 WeakPolarHBondContact CB-O 3.25Å; V242-D291 PolarHBondContact N-O 3.45Å; V242-L292 HydrophobicContact CB-CD2 3.72Å; V242-L292 HydrophobicContact CG1-CD2 3.98Å; V242-L292 HydrophobicContact CG2-CD2 4.16Å; V242-L293 PolarHBondContact O-N 3.04Å; V242-L362 CarbonylContact C-O 3.47Å; V242-L362 WeakPolarHBondContact CA-O 3.49Å; V242-L362 HydrophobicContact CG1-CD2 4.19Å; V242-L362 HydrophobicContact CG1-CG 4.49Å; V242-L362 HydrophobicContact CG2-CB 4.28Å; V242-L362 HydrophobicContact CG2-CD2 4.15Å; V242-T364 HydrophobicContact CG1-CG2 3.72Å; V242-L370 HydrophobicContact CG1-CD2 4.48Å; V242-L370 HydrophobicContact CG2-CD1 4.04Å; V242-L370 HydrophobicContact CG2-CD2 4.47Å; V242-I374 HydrophobicContact CG2-CD1 4.5Å
243	L	97.7	Very high	85.2	Confident	1 Å²	1	37.8 Å²	37.8	1%	0.005	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	121	-178.6	-59	172.5	0	0	0	109.8	G241 L293 F295 F345 F351 F361 L362 T364 I429	G241-L243 PolarHBondContact O-N 2.57Å; L243-L293 HydrophobicContact CD2-CB 4Å; L243-L293 HydrophobicContact CD2-CD1 3.7Å; L243-L293 HydrophobicContact CD2-CG 4.49Å; L243-F295 HydrophobicContact CD2-CE2 4.02Å; L243-F345 HydrophobicContact CB-CE1 4.5Å; L243-F345 HydrophobicContact CD1-CE2 4.13Å; L243-F345 HydrophobicContact CD1-CZ 4.2Å; L243-F351 HydrophobicContact CD1-CE2 3.79Å; L243-F351 HydrophobicContact CD1-CZ 4.17Å; L243-F351 HydrophobicContact CD2-CD2 4.12Å; L243-F351 HydrophobicContact CD2-CE2 3.72Å; L243-F351 HydrophobicContact CG-CE2 4.44Å; L243-F361 HydrophobicContact CD1-CB 3.76Å; L243-F361 HydrophobicContact CD1-CD1 4.16Å; L243-F361 HydrophobicContact CD1-CD2 3.87Å; L243-F361 HydrophobicContact CD1-CE2 4.5Å; L243-F361 HydrophobicContact CD1-CG 3.69Å; L243-F361 HydrophobicContact CD2-CD1 4.16Å; L243-F361 HydrophobicContact CD2-CE1 4.2Å; L243-F361 HydrophobicContact CD2-CG 4.49Å; L243-F361 HydrophobicContact CG-CB 4.2Å; L243-F361 HydrophobicContact CG-CD1 4.03Å; L243-F361 HydrophobicContact CG-CG 4.06Å; L243-L362 PolarHBondContact N-O 3.5Å; L243-T364 PolarHBondContact O-N 3.26Å; L243-T364 VanDerWaalsContact O-N 3.13Å; L243-I429 HydrophobicContact CD1-CG2 4.09Å
244	L	95.7	Very high	86.2	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	149.5	172.1	61.6	132.4	0	0	0	111.3	V242 L246 F258 M262 L292 L293 V294 F295	V242-L244 HydrophobicContact CG1-CD2 4.28Å; L244-L246 HydrophobicContact CD1-CD2 4.07Å; L244-L246 HydrophobicContact CD1-CG 4.34Å; L244-F258 HydrophobicContact CD1-CD2 3.47Å; L244-F258 VanDerWaalsContact CD1-CD2 3.47Å; L244-F258 HydrophobicContact CD1-CE2 3.45Å; L244-F258 VanDerWaalsContact CD1-CE2 3.45Å; L244-M262 HydrophobicContact CD1-CG 4.41Å; L244-M262 HydrophobicContact CD2-CG 4Å; L244-L292 HydrophobicContact CD2-CB 4.5Å; L244-L292 HydrophobicContact CD2-CD2 4.31Å; L244-L293 PolarHBondContact N-O 2.9Å; L244-V294 HydrophobicContact CD1-CB 4.47Å; L244-V294 HydrophobicContact CD1-CG1 4Å; L244-V294 HydrophobicContact CD1-CG2 4.08Å; L244-V294 HydrophobicContact CD2-CG2 4.11Å; L244-V294 HydrophobicContact CG-CG1 4.45Å; L244-V294 HydrophobicContact CG-CG2 4.18Å; L244-F295 PolarHBondContact O-N 3.4Å
245	T	94.7	Very high	86.7	Confident	10 Å²	10	33.7 Å²	33.7	6%	0.061	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	133.2	173	-50.7	0	0	0	0	110.8	F295 T330 N341 A342 A344	T245-F295 CarbonylContact C-O 3.51Å; T245-F295 WeakPolarHBondContact CA-O 3.4Å; T245-F295 HydrophobicContact CG2-CB 4.39Å; T245-F295 WeakPolarHBondContact CG2-O 3.37Å; T245-T330 HydrophobicContact CG2-CG2 4.18Å; T245-N341 WeakPolarHBondContact CB-O 3.14Å; T245-N341 WeakPolarHBondContact CG2-O 3.29Å; T245-N341 PolarHBondContact OG1-O 3.3Å; T245-A342 PolarHBondContact OG1-O 3.3Å; T245-A344 HydrophobicContact CG2-CB 3.77Å
246	L	92.4	Very high	87	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	108.5	172.5	-60.2	-177.5	0	0	0	110.3	L244 F258 V294 F295 C296 E297 T300 L304 I366	L244-L246 HydrophobicContact CD1-CD2 4.07Å; L244-L246 HydrophobicContact CD1-CG 4.34Å; L246-F258 HydrophobicContact CD1-CB 4.3Å; L246-F258 HydrophobicContact CD1-CD1 4.04Å; L246-F258 HydrophobicContact CD1-CD2 4.36Å; L246-F258 HydrophobicContact CD1-CE1 4.48Å; L246-F258 HydrophobicContact CD1-CG 3.96Å; L246-F258 HydrophobicContact CD2-CB 3.7Å; L246-F258 HydrophobicContact CD2-CD2 4.07Å; L246-F258 HydrophobicContact CD2-CG 3.94Å; L246-V294 HydrophobicContact CD1-CG1 3.44Å; L246-V294 VanDerWaalsContact CD1-CG1 3.44Å; L246-V294 HydrophobicContact CG-CG1 3.7Å; L246-F295 PolarHBondContact N-O 2.84Å; L246-C296 HydrophobicContact CB-CB 4.06Å; L246-C296 HydrophobicContact CD1-CB 4.36Å; L246-E297 PolarHBondContact O-N 3.46Å; L246-E297 VanDerWaalsContact O-N 3.13Å; L246-T300 HydrophobicContact CB-CG2 4.17Å; L246-T300 HydrophobicContact CD1-CG2 4.49Å; L246-L304 HydrophobicContact CD1-CD1 4.35Å; L246-L304 HydrophobicContact CD1-CD2 3.14Å; L246-L304 HydrophobicContact CD1-CG 4.25Å; L246-I366 HydrophobicContact CD2-CD1 3.14Å; L246-I366 HydrophobicContact CD2-CG1 3.6Å
247	P	83.5	Confident	87.3	Confident	27 Å²	27	30.3 Å²	30.3	18%	0.175	15%	0.154	C	C	.	.			trans	-68.8	157.3	173.4	31.1	-34.3	0	0	0	110.5	Y254	P247-Y254 HydrophobicContact CG-CD1 4.13Å; P247-Y254 HydrophobicContact CG-CD2 3.68Å; P247-Y254 HydrophobicContact CG-CE1 4.3Å; P247-Y254 HydrophobicContact CG-CE2 3.87Å; P247-Y254 HydrophobicContact CG-CG 3.8Å
248	Y	72.3	Confident	87.6	Confident	76 Å²	76	29 Å²	29	30%	0.298	14%	0.141	S	C	.	.			trans	-83.9	125.7	161.6	-180	-102.3	0	0	0	109.3	F250 E297 R299	Y248-F250 HydrophobicContact CE1-CD1 4.35Å; Y248-F250 HydrophobicContact CE1-CE1 4.37Å; Y248-F250 HydrophobicContact CE1-CG 4.5Å; Y248-E297 HydrophobicContact CG-CG 4.47Å; Y248-R299 HydrophobicContact CD2-CB 3.96Å; Y248-R299 HydrophobicContact CE2-CB 3.91Å
249	V	65.4	Low	87.6	Confident	64 Å²	64	27.8 Å²	27.8	39%	0.388	13%	0.132	S	C	.	.			trans	-131	147.8	161.4	-179.6	0	0	0	0	106.9	S251 Y254	V249-S251 CarbonylContact C-O 3.49Å; V249-S251 CarbonylContact O-C 2.94Å; V249-S251 PolarHBondContact O-N 2.77Å; V249-S251 VanDerWaalsContact O-N 3.1Å; V249-Y254 HydrophobicContact CB-CD2 4.05Å; V249-Y254 HydrophobicContact CB-CE2 4.21Å; V249-Y254 HydrophobicContact CG2-CD2 3.63Å; V249-Y254 HydrophobicContact CG2-CE2 3.43Å; V249-Y254 VanDerWaalsContact CG2-CE2 3.43Å
250	F	60.4	Low	87.6	Confident	187 Å²	187	25 Å²	25	82%	0.82	12%	0.12	S	C	*	.	S	Bend	trans	-56.1	-25.9	178	-73.9	-79.1	0	0	0	112.8	Y248	Y248-F250 HydrophobicContact CE1-CD1 4.35Å; Y248-F250 HydrophobicContact CE1-CE1 4.37Å; Y248-F250 HydrophobicContact CE1-CG 4.5Å
251	S	63.9	Low	87.5	Confident	33 Å²	33	24.9 Å²	24.9	23%	0.231	12%	0.12	C	C	.	.	S	Bend	trans	-83.1	141.4	169	64.7	0	0	0	0	110.7	V249 Y253	V249-S251 CarbonylContact C-O 3.49Å; V249-S251 CarbonylContact O-C 2.94Å; V249-S251 PolarHBondContact O-N 2.77Å; V249-S251 VanDerWaalsContact O-N 3.1Å; S251-Y253 PolarHBondContact O-N 2.7Å; S251-Y253 WeakPolarHBondContact OG-CB 3.48Å
252	S	77.4	Confident	87.5	Confident	6 Å²	6	24.9 Å²	24.9	4%	0.042	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	8.6	171.5	83.8	0	0	0	0	113.3	Y254 V255 V256 Y586	S252-Y254 VanDerWaalsContact C-N 3.34Å; S252-Y254 PolarHBondContact O-N 2.73Å; S252-V255 CarbonylContact O-C 3.57Å; S252-V255 WeakPolarHBondContact O-CA 3.28Å; S252-V255 WeakPolarHBondContact O-CB 3.37Å; S252-V255 PolarHBondContact O-N 3.4Å; S252-V256 WeakPolarHBondContact O-CG2 3.33Å; S252-V256 PolarHBondContact O-N 3.27Å; S252-V256 WeakPolarHBondContact OG-CG2 3.33Å; S252-Y586 WeakPolarHBondContact CB-OH 3.24Å; S252-Y586 WeakPolarHBondContact OG-CE2 3.3Å; S252-Y586 PolarHBondContact OG-OH 2.97Å
253	Y	89.2	Confident	87.5	Confident	34 Å²	34	25.9 Å²	25.9	13%	0.133	12%	0.123	C	C	.	.	H	α-helix	trans	-50	-50.5	-171.9	-175.7	-81.8	0	0	0	112.5	S251 V255 V256 Q257 L533 D534 V537	S251-Y253 PolarHBondContact O-N 2.7Å; S251-Y253 WeakPolarHBondContact OG-CB 3.48Å; Y253-V255 PolarHBondContact O-N 3.41Å; Y253-V256 PolarHBondContact O-N 3.28Å; Y253-Q257 VanDerWaalsContact O-CB 3.27Å; Y253-Q257 WeakPolarHBondContact O-CB 3.34Å; Y253-Q257 PolarHBondContact O-N 2.88Å; Y253-L533 HydrophobicContact CD2-CB 4.35Å; Y253-L533 HydrophobicContact CE1-CD1 3.85Å; Y253-L533 HydrophobicContact CE2-CB 3.59Å; Y253-L533 HydrophobicContact CE2-CD1 4.17Å; Y253-L533 HydrophobicContact CE2-CG 4.48Å; Y253-L533 WeakPolarHBondContact OH-CD1 3.18Å; Y253-D534 WeakPolarHBondContact CE2-OD1 3.43Å; Y253-V537 HydrophobicContact CD2-CB 4.42Å; Y253-V537 HydrophobicContact CD2-CG2 3.9Å; Y253-V537 HydrophobicContact CG-CG2 4.47Å
254	Y	91	Very high	87.4	Confident	70 Å²	70	25.9 Å²	25.9	28%	0.275	12%	0.124	S	C	.	.	H	α-helix	trans	-70.4	-31.5	179.5	-69.7	-68.5	0	0	0	112.6	P247 V249 S252 Q257 F258 I366	P247-Y254 HydrophobicContact CG-CD1 4.13Å; P247-Y254 HydrophobicContact CG-CD2 3.68Å; P247-Y254 HydrophobicContact CG-CE1 4.3Å; P247-Y254 HydrophobicContact CG-CE2 3.87Å; P247-Y254 HydrophobicContact CG-CG 3.8Å; V249-Y254 HydrophobicContact CB-CD2 4.05Å; V249-Y254 HydrophobicContact CB-CE2 4.21Å; V249-Y254 HydrophobicContact CG2-CD2 3.63Å; V249-Y254 HydrophobicContact CG2-CE2 3.43Å; V249-Y254 VanDerWaalsContact CG2-CE2 3.43Å; S252-Y254 VanDerWaalsContact C-N 3.34Å; S252-Y254 PolarHBondContact O-N 2.73Å; Y254-Q257 PolarHBondContact O-N 3.05Å; Y254-F258 WeakPolarHBondContact O-CB 2.97Å; Y254-F258 PolarHBondContact O-N 2.9Å; Y254-I366 HydrophobicContact CD1-CD1 3.88Å; Y254-I366 HydrophobicContact CD1-CG2 3.95Å; Y254-I366 HydrophobicContact CE1-CG2 4.23Å; Y254-I366 HydrophobicContact CG-CD1 4.34Å; Y254-I366 WeakPolarHBondContact O-CD1 3.28Å
255	V	90.6	Very high	87.5	Confident	8 Å²	8	25.9 Å²	25.9	5%	0.048	12%	0.124	C	C	.	.	H	α-helix	trans	-66	-47.6	174.3	177.1	0	0	0	0	110.3	S252 Y253 F258 M259 T300 L303	S252-V255 CarbonylContact O-C 3.57Å; S252-V255 WeakPolarHBondContact O-CA 3.28Å; S252-V255 WeakPolarHBondContact O-CB 3.37Å; S252-V255 PolarHBondContact O-N 3.4Å; Y253-V255 PolarHBondContact O-N 3.41Å; V255-F258 PolarHBondContact O-N 2.91Å; V255-M259 HydrophobicContact CG1-CE 3.6Å; V255-M259 HydrophobicContact CG1-SD 4.08Å; V255-M259 WeakPolarHBondContact O-CB 3.48Å; V255-M259 VanDerWaalsContact O-CG 3.28Å; V255-M259 WeakPolarHBondContact O-CG 3.48Å; V255-M259 PolarHBondContact O-N 2.81Å; V255-T300 HydrophobicContact CG2-CG2 3.6Å; V255-L303 HydrophobicContact CG1-CB 3.96Å; V255-L303 HydrophobicContact CG2-CB 4.23Å; V255-L303 HydrophobicContact CG2-CD1 3.98Å
256	V	92.4	Very high	87.7	Confident	0 Å²	0	25.8 Å²	25.8	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-59.3	-49.3	175.7	176.7	0	0	0	0	109.6	S252 Y253 F258 M259 T260 L533 L536 V537 L540 L582	S252-V256 WeakPolarHBondContact O-CG2 3.33Å; S252-V256 PolarHBondContact O-N 3.27Å; S252-V256 WeakPolarHBondContact OG-CG2 3.33Å; Y253-V256 PolarHBondContact O-N 3.28Å; V256-F258 PolarHBondContact O-N 2.92Å; V256-M259 PolarHBondContact O-N 3.17Å; V256-T260 HydrophobicContact CG1-CG2 4.22Å; V256-T260 WeakPolarHBondContact O-CB 3.2Å; V256-T260 WeakPolarHBondContact O-CG2 3.39Å; V256-T260 PolarHBondContact O-N 2.78Å; V256-T260 PolarHBondContact O-OG1 3.41Å; V256-L533 HydrophobicContact CG1-CD2 3.82Å; V256-L536 HydrophobicContact CG1-CD2 3.48Å; V256-L536 VanDerWaalsContact CG1-CD2 3.48Å; V256-L536 HydrophobicContact CG1-CG 4.24Å; V256-V537 HydrophobicContact CB-CG2 4.42Å; V256-V537 HydrophobicContact CG2-CG2 4.38Å; V256-L540 HydrophobicContact CG2-CD1 4.02Å; V256-L582 HydrophobicContact CG2-CD1 4.29Å; V256-L582 HydrophobicContact CG2-CD2 3.73Å
257	Q	94.2	Very high	87.8	Confident	4 Å²	4	28.4 Å²	28.4	2%	0.019	13%	0.133	C	C	.	.	H	α-helix	trans	-56	-49.1	177.9	-177.5	166.8	53.9	0	0	112.4	Y253 Y254 M259 T260 F261 I366 L533	Y253-Q257 VanDerWaalsContact O-CB 3.27Å; Y253-Q257 WeakPolarHBondContact O-CB 3.34Å; Y253-Q257 PolarHBondContact O-N 2.88Å; Y254-Q257 PolarHBondContact O-N 3.05Å; Q257-M259 PolarHBondContact O-N 3.18Å; Q257-T260 PolarHBondContact O-N 3.16Å; Q257-T260 PolarHBondContact O-OG1 3.45Å; Q257-F261 HydrophobicContact CG-CD2 3.83Å; Q257-F261 HydrophobicContact CG-CE2 4.02Å; Q257-F261 HydrophobicContact CG-CG 4.36Å; Q257-F261 VanDerWaalsContact O-CB 3.27Å; Q257-F261 WeakPolarHBondContact O-CB 2.99Å; Q257-F261 WeakPolarHBondContact O-CG 3.36Å; Q257-F261 PolarHBondContact O-N 3.45Å; Q257-I366 HydrophobicContact CB-CD1 4.44Å; Q257-I366 HydrophobicContact CG-CD1 4.48Å; Q257-I366 HydrophobicContact CG-CG1 4.46Å; Q257-L533 HydrophobicContact CB-CD1 3.83Å; Q257-L533 HydrophobicContact CB-CD2 4.26Å; Q257-L533 HydrophobicContact CG-CD1 3.85Å
258	F	95.1	Very high	88.3	Confident	0 Å²	0	27.2 Å²	27.2	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-57.5	-50.2	175.7	169.9	-110	0	0	0	112	L244 L246 Y254 V255 V256 T260 M262 Y263 L292 V294 L304 P305 I366	L244-F258 HydrophobicContact CD1-CD2 3.47Å; L244-F258 VanDerWaalsContact CD1-CD2 3.47Å; L244-F258 HydrophobicContact CD1-CE2 3.45Å; L244-F258 VanDerWaalsContact CD1-CE2 3.45Å; L246-F258 HydrophobicContact CD1-CB 4.3Å; L246-F258 HydrophobicContact CD1-CD1 4.04Å; L246-F258 HydrophobicContact CD1-CD2 4.36Å; L246-F258 HydrophobicContact CD1-CE1 4.48Å; L246-F258 HydrophobicContact CD1-CG 3.96Å; L246-F258 HydrophobicContact CD2-CB 3.7Å; L246-F258 HydrophobicContact CD2-CD2 4.07Å; L246-F258 HydrophobicContact CD2-CG 3.94Å; Y254-F258 WeakPolarHBondContact O-CB 2.97Å; Y254-F258 PolarHBondContact O-N 2.9Å; V255-F258 PolarHBondContact O-N 2.91Å; V256-F258 PolarHBondContact O-N 2.92Å; F258-T260 VanDerWaalsContact C-N 3.32Å; F258-T260 PolarHBondContact O-N 3.46Å; F258-M262 HydrophobicContact CD2-CB 4.09Å; F258-M262 HydrophobicContact CD2-CG 4.46Å; F258-M262 HydrophobicContact CE2-CB 4.37Å; F258-M262 HydrophobicContact CE2-CG 4.34Å; F258-M262 PolarHBondContact O-N 3.01Å; F258-Y263 HydrophobicContact CE1-CD2 4.43Å; F258-Y263 HydrophobicContact CE1-CG 4.36Å; F258-Y263 HydrophobicContact CZ-CD2 4.25Å; F258-Y263 HydrophobicContact CZ-CG 4.38Å; F258-Y263 WeakPolarHBondContact O-CB 3.37Å; F258-Y263 PolarHBondContact O-N 2.9Å; F258-L292 HydrophobicContact CE2-CD1 4.37Å; F258-L292 HydrophobicContact CZ-CD1 4.45Å; F258-V294 HydrophobicContact CE2-CG2 3.89Å; F258-V294 HydrophobicContact CZ-CG1 4.46Å; F258-V294 HydrophobicContact CZ-CG2 3.73Å; F258-L304 HydrophobicContact CD1-CD2 3.56Å; F258-L304 HydrophobicContact CE1-CD2 3.44Å; F258-L304 VanDerWaalsContact CE1-CD2 3.44Å; F258-L304 HydrophobicContact CZ-CD2 4.34Å; F258-P305 HydrophobicContact CE1-CG 4.38Å; F258-I366 HydrophobicContact CB-CD1 3.99Å; F258-I366 HydrophobicContact CB-CG1 4.11Å
259	M	94.1	Very high	89.2	Confident	3 Å²	3	23.6 Å²	23.6	2%	0.015	11%	0.111	C	C	.	.	H	α-helix	trans	-61.5	-40.6	-178.4	-76.8	-178.3	-179	0	0	112.2	V255 V256 Q257 S264 L303 P305 R581 L582	V255-M259 HydrophobicContact CG1-CE 3.6Å; V255-M259 HydrophobicContact CG1-SD 4.08Å; V255-M259 WeakPolarHBondContact O-CB 3.48Å; V255-M259 VanDerWaalsContact O-CG 3.28Å; V255-M259 WeakPolarHBondContact O-CG 3.48Å; V255-M259 PolarHBondContact O-N 2.81Å; V256-M259 PolarHBondContact O-N 3.17Å; Q257-M259 PolarHBondContact O-N 3.18Å; M259-S264 WeakPolarHBondContact O-CB 3.3Å; M259-S264 PolarHBondContact O-N 3.24Å; M259-L303 WeakPolarHBondContact CE-O 3.38Å; M259-P305 HydrophobicContact CE-CG 4.44Å; M259-P305 HydrophobicContact CG-CG 4.26Å; M259-R581 HydrophobicContact CE-CG 4.39Å; M259-L582 HydrophobicContact SD-CD2 3.95Å; M259-L582 HydrophobicContact SD-CG 4.29Å
260	T	95.2	Very high	90.4	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-84.9	-29	-176	57.8	0	0	0	0	113.1	V256 Q257 F258 S264 F532 A571 L575	V256-T260 HydrophobicContact CG1-CG2 4.22Å; V256-T260 WeakPolarHBondContact O-CB 3.2Å; V256-T260 WeakPolarHBondContact O-CG2 3.39Å; V256-T260 PolarHBondContact O-N 2.78Å; V256-T260 PolarHBondContact O-OG1 3.41Å; Q257-T260 PolarHBondContact O-N 3.16Å; Q257-T260 PolarHBondContact O-OG1 3.45Å; F258-T260 VanDerWaalsContact C-N 3.32Å; F258-T260 PolarHBondContact O-N 3.46Å; T260-S264 VanDerWaalsContact O-CB 3.24Å; T260-S264 WeakPolarHBondContact O-CB 3.35Å; T260-F532 HydrophobicContact CG2-CE1 3.91Å; T260-F532 HydrophobicContact CG2-CZ 4.18Å; T260-A571 WeakPolarHBondContact O-CA 3.23Å; T260-L575 HydrophobicContact CG2-CB 4.02Å
261	F	97.4	Very high	91.7	Very high	0 Å²	0	17 Å²	17	0%	0	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.3	-83.7	-174.5	-61.1	3.3	0	0	0	110.9	Q257 S264 S265 A368 F369 A520 F527 K529 F532 L533 A571	Q257-F261 HydrophobicContact CG-CD2 3.83Å; Q257-F261 HydrophobicContact CG-CE2 4.02Å; Q257-F261 HydrophobicContact CG-CG 4.36Å; Q257-F261 VanDerWaalsContact O-CB 3.27Å; Q257-F261 WeakPolarHBondContact O-CB 2.99Å; Q257-F261 WeakPolarHBondContact O-CG 3.36Å; Q257-F261 PolarHBondContact O-N 3.45Å; F261-S264 PolarHBondContact O-N 2.85Å; F261-S265 WeakPolarHBondContact O-CB 3.18Å; F261-S265 PolarHBondContact O-N 3.2Å; F261-S265 PolarHBondContact O-OG 3.38Å; F261-A368 WeakPolarHBondContact CB-O 3.21Å; F261-F369 HydrophobicContact CB-CD1 4.12Å; F261-F369 HydrophobicContact CB-CE1 3.79Å; F261-F369 HydrophobicContact CB-CE2 4.17Å; F261-F369 HydrophobicContact CB-CG 4.47Å; F261-F369 HydrophobicContact CB-CZ 3.81Å; F261-F369 AromaticContact CD1-CE1 3.7Å; F261-F369 HydrophobicContact CD1-CE1 3.7Å; F261-F369 HydrophobicContact CD1-CE2 4.17Å; F261-F369 AromaticContact CD1-CZ 3.3Å; F261-F369 HydrophobicContact CD1-CZ 3.3Å; F261-F369 AromaticContact CD2-CE2 3.84Å; F261-F369 HydrophobicContact CD2-CE2 3.84Å; F261-F369 AromaticContact CD2-CZ 3.83Å; F261-F369 HydrophobicContact CD2-CZ 3.83Å; F261-F369 AromaticContact CE1-CZ 3.81Å; F261-F369 HydrophobicContact CE1-CZ 3.81Å; F261-F369 HydrophobicContact CE2-CE2 4.26Å; F261-F369 HydrophobicContact CE2-CZ 4.24Å; F261-F369 AromaticContact CG-CE1 3.81Å; F261-F369 HydrophobicContact CG-CE1 3.81Å; F261-F369 AromaticContact CG-CE2 3.81Å; F261-F369 HydrophobicContact CG-CE2 3.81Å; F261-F369 AromaticContact CG-CZ 3.36Å; F261-F369 HydrophobicContact CG-CZ 3.36Å; F261-F369 HydrophobicContact CZ-CZ 4.25Å; F261-A520 HydrophobicContact CE2-CB 4.21Å; F261-F527 HydrophobicContact CD1-CZ 4.4Å; F261-F527 HydrophobicContact CE1-CE1 4.38Å; F261-F527 AromaticContact CE1-CZ 3.63Å; F261-F527 HydrophobicContact CE1-CZ 3.63Å; F261-F527 HydrophobicContact CE2-CE1 4.37Å; F261-F527 HydrophobicContact CE2-CZ 4.39Å; F261-F527 AromaticContact CZ-CE1 4Å; F261-F527 HydrophobicContact CZ-CE1 4Å; F261-F527 AromaticContact CZ-CZ 3.63Å; F261-F527 HydrophobicContact CZ-CZ 3.63Å; F261-K529 HydrophobicContact CE2-CB 3.7Å; F261-K529 HydrophobicContact CZ-CB 3.75Å; F261-F532 AromaticContact CE1-CD1 3.79Å; F261-F532 HydrophobicContact CE1-CD1 3.79Å; F261-F532 HydrophobicContact CE1-CE1 4.07Å; F261-F532 HydrophobicContact CZ-CD1 4.3Å; F261-L533 HydrophobicContact CE1-CD2 4.41Å; F261-L533 HydrophobicContact CE2-CD1 4.18Å; F261-L533 HydrophobicContact CZ-CD1 3.85Å; F261-L533 HydrophobicContact CZ-CD2 4.4Å; F261-L533 HydrophobicContact CZ-CG 4.05Å; F261-A571 HydrophobicContact CD1-CB 4.2Å; F261-A571 HydrophobicContact CE1-CB 4.06Å
262	M	97.4	Very high	92.7	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-62.2	-51.1	-172.6	-175.5	56.9	63	0	0	112.9	V242 L244 F258 S265 W266 L292 T364 A368 L370	V242-M262 HydrophobicContact CG1-SD 4.06Å; L244-M262 HydrophobicContact CD1-CG 4.41Å; L244-M262 HydrophobicContact CD2-CG 4Å; F258-M262 HydrophobicContact CD2-CB 4.09Å; F258-M262 HydrophobicContact CD2-CG 4.46Å; F258-M262 HydrophobicContact CE2-CB 4.37Å; F258-M262 HydrophobicContact CE2-CG 4.34Å; F258-M262 PolarHBondContact O-N 3.01Å; M262-S265 PolarHBondContact O-OG 3.01Å; M262-W266 VanDerWaalsContact O-CB 3.25Å; M262-W266 WeakPolarHBondContact O-CB 3.33Å; M262-W266 PolarHBondContact O-N 2.61Å; M262-L292 HydrophobicContact CG-CD2 4.29Å; M262-L292 HydrophobicContact SD-CD2 4.23Å; M262-T364 HydrophobicContact CE-CG2 3.53Å; M262-A368 HydrophobicContact CE-CB 3.95Å; M262-A368 PolarHBondContact N-O 3.03Å; M262-L370 HydrophobicContact SD-CD1 4.02Å; M262-L370 HydrophobicContact SD-CD2 4.14Å; M262-L370 HydrophobicContact SD-CG 3.72Å
263	Y	97.1	Very high	92.9	Very high	21 Å²	21	16.7 Å²	16.7	8%	0.082	7%	0.072	C	C	.	.	H	α-helix	trans	-66.9	-43.8	-179.9	174.2	-94.9	0	0	0	112.1	F258 W266 K267 L292 P305 D307	F258-Y263 HydrophobicContact CE1-CD2 4.43Å; F258-Y263 HydrophobicContact CE1-CG 4.36Å; F258-Y263 HydrophobicContact CZ-CD2 4.25Å; F258-Y263 HydrophobicContact CZ-CG 4.38Å; F258-Y263 WeakPolarHBondContact O-CB 3.37Å; F258-Y263 PolarHBondContact O-N 2.9Å; Y263-W266 HydrophobicContact CD2-CE3 4.17Å; Y263-W266 HydrophobicContact CD2-CZ3 4.39Å; Y263-W266 HydrophobicContact CE2-CE3 4.22Å; Y263-W266 HydrophobicContact CE2-CZ3 4.01Å; Y263-W266 PolarHBondContact O-N 2.01Å; Y263-K267 VanDerWaalsContact O-CB 3.31Å; Y263-K267 WeakPolarHBondContact O-CB 3.3Å; Y263-K267 PolarHBondContact O-N 2.62Å; Y263-L292 HydrophobicContact CD2-CD1 4.41Å; Y263-P305 HydrophobicContact CD1-CB 4.46Å; Y263-P305 HydrophobicContact CD1-CG 3.75Å; Y263-P305 HydrophobicContact CD2-CB 4.2Å; Y263-P305 HydrophobicContact CD2-CG 3.77Å; Y263-P305 HydrophobicContact CE1-CB 3.89Å; Y263-P305 HydrophobicContact CE1-CG 3.65Å; Y263-P305 HydrophobicContact CE2-CB 3.55Å; Y263-P305 HydrophobicContact CE2-CG 3.64Å; Y263-P305 HydrophobicContact CG-CG 3.82Å; Y263-D307 PolarHBondContact OH-OD1 3.22Å; Y263-D307 PolarHBondContact OH-OD2 3.22Å
264	S	96.5	Very high	92.3	Very high	1 Å²	1	19.6 Å²	19.6	1%	0.007	9%	0.086	C	C	.	.	H	α-helix	trans	-63.9	-44.9	179.9	-172.8	0	0	0	0	112.1	M259 T260 F261 K267 F268 I570 G574	M259-S264 WeakPolarHBondContact O-CB 3.3Å; M259-S264 PolarHBondContact O-N 3.24Å; T260-S264 VanDerWaalsContact O-CB 3.24Å; T260-S264 WeakPolarHBondContact O-CB 3.35Å; F261-S264 PolarHBondContact O-N 2.85Å; S264-K267 PolarHBondContact O-N 2.89Å; S264-F268 VanDerWaalsContact O-CB 3.26Å; S264-F268 WeakPolarHBondContact O-CB 3.35Å; S264-F268 PolarHBondContact O-N 3.25Å; S264-I570 WeakPolarHBondContact OG-CG2 3.24Å; S264-I570 PolarHBondContact OG-O 3.21Å; S264-G574 WeakPolarHBondContact OG-CA 3.33Å; S264-G574 PolarHBondContact OG-N 2.91Å
265	S	97.5	Very high	91.6	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-63.3	-48.7	176.6	50.5	0	0	0	0	111	F261 M262 K267 F268 V269 L370 I570	F261-S265 WeakPolarHBondContact O-CB 3.18Å; F261-S265 PolarHBondContact O-N 3.2Å; F261-S265 PolarHBondContact O-OG 3.38Å; M262-S265 PolarHBondContact O-OG 3.01Å; S265-K267 PolarHBondContact O-N 3.29Å; S265-F268 WeakPolarHBondContact O-CB 3.47Å; S265-F268 PolarHBondContact O-N 3.13Å; S265-F268 VanDerWaalsContact O-N 3.15Å; S265-V269 VanDerWaalsContact O-CG2 3.29Å; S265-V269 WeakPolarHBondContact O-CG2 3.32Å; S265-V269 PolarHBondContact O-N 2.92Å; S265-L370 WeakPolarHBondContact CB-O 3.38Å; S265-L370 PolarHBondContact OG-N 3.11Å; S265-I570 VanDerWaalsContact N-CG2 3.33Å
266	W	97.6	Very high	90.6	Very high	8 Å²	8	17.9 Å²	17.9	3%	0.03	8%	0.081	C	C	.	.	H	α-helix	trans	-53.6	-51.2	174.6	173	79.2	0	0	0	112	M262 Y263 F268 V269 Q270 V290 L292 P323 T324 C325 L370	M262-W266 VanDerWaalsContact O-CB 3.25Å; M262-W266 WeakPolarHBondContact O-CB 3.33Å; M262-W266 PolarHBondContact O-N 2.61Å; Y263-W266 HydrophobicContact CD2-CE3 4.17Å; Y263-W266 HydrophobicContact CD2-CZ3 4.39Å; Y263-W266 HydrophobicContact CE2-CE3 4.22Å; Y263-W266 HydrophobicContact CE2-CZ3 4.01Å; Y263-W266 PolarHBondContact O-N 2.01Å; W266-F268 VanDerWaalsContact C-N 3.3Å; W266-F268 PolarHBondContact O-N 2.77Å; W266-V269 WeakPolarHBondContact O-CB 3.49Å; W266-V269 PolarHBondContact O-N 3.01Å; W266-Q270 HydrophobicContact CZ2-CG 4.41Å; W266-Q270 WeakPolarHBondContact O-CG 3.26Å; W266-Q270 PolarHBondContact O-N 2.89Å; W266-Q270 VanDerWaalsContact O-N 3.13Å; W266-V290 PolarHBondContact NE1-O 3.4Å; W266-L292 HydrophobicContact CB-CD1 3.71Å; W266-L292 HydrophobicContact CB-CD2 3.99Å; W266-L292 HydrophobicContact CB-CG 3.99Å; W266-L292 HydrophobicContact CD2-CD1 3.71Å; W266-L292 HydrophobicContact CD2-CG 3.71Å; W266-L292 HydrophobicContact CE3-CD1 3.92Å; W266-L292 HydrophobicContact CE3-CG 4.36Å; W266-L292 HydrophobicContact CG-CD1 3.62Å; W266-L292 HydrophobicContact CG-CD2 3.82Å; W266-L292 HydrophobicContact CG-CG 3.5Å; W266-L292 VanDerWaalsContact CG-CG 3.5Å; W266-P323 HydrophobicContact CZ2-CB 4.23Å; W266-T324 VanDerWaalsContact CZ2-C 3.45Å; W266-C325 HydrophobicContact CH2-CB 3.93Å; W266-C325 HydrophobicContact CZ3-CB 3.98Å; W266-L370 HydrophobicContact CB-CD1 4.03Å
267	K	95.2	Very high	89	Confident	55 Å²	55	20.9 Å²	20.9	24%	0.239	10%	0.1	C	C	.	.	H	α-helix	trans	-59.1	-43.7	179	-167.7	74.8	176.2	-170.4	0	111.4	Y263 S264 S265 Q270 E271 D307	Y263-K267 VanDerWaalsContact O-CB 3.31Å; Y263-K267 WeakPolarHBondContact O-CB 3.3Å; Y263-K267 PolarHBondContact O-N 2.62Å; S264-K267 PolarHBondContact O-N 2.89Å; S265-K267 PolarHBondContact O-N 3.29Å; K267-Q270 PolarHBondContact O-N 2.91Å; K267-E271 WeakPolarHBondContact O-CB 3.33Å; K267-E271 VanDerWaalsContact O-CG 3.31Å; K267-E271 WeakPolarHBondContact O-CG 3.47Å; K267-E271 PolarHBondContact O-N 3Å; K267-D307 IonicContact NZ-OD2 2.62Å; K267-D307 PolarHBondContact NZ-OD2 3.3Å
268	F	93.3	Very high	86.9	Confident	1 Å²	1	28.5 Å²	28.5	0%	0.004	13%	0.133	C	C	.	.	H	α-helix	trans	-62.2	-45.3	178.3	179.8	-85.4	0	0	0	111.9	S264 S265 W266 Q270 E271 R272 T558 Y566 H569 I570	S264-F268 VanDerWaalsContact O-CB 3.26Å; S264-F268 WeakPolarHBondContact O-CB 3.35Å; S264-F268 PolarHBondContact O-N 3.25Å; S265-F268 WeakPolarHBondContact O-CB 3.47Å; S265-F268 PolarHBondContact O-N 3.13Å; S265-F268 VanDerWaalsContact O-N 3.15Å; W266-F268 VanDerWaalsContact C-N 3.3Å; W266-F268 PolarHBondContact O-N 2.77Å; F268-Q270 VanDerWaalsContact C-N 3.29Å; F268-Q270 PolarHBondContact O-N 2.92Å; F268-E271 PolarHBondContact O-N 3.1Å; F268-R272 HydrophobicContact CD1-CG 4.22Å; F268-R272 HydrophobicContact CD2-CG 4.31Å; F268-R272 HydrophobicContact CE1-CB 4.31Å; F268-R272 HydrophobicContact CE1-CG 3.9Å; F268-R272 HydrophobicContact CE2-CG 4.01Å; F268-R272 HydrophobicContact CG-CG 4.41Å; F268-R272 HydrophobicContact CZ-CG 3.79Å; F268-R272 WeakPolarHBondContact O-CB 3.25Å; F268-R272 WeakPolarHBondContact O-CG 3.44Å; F268-R272 PolarHBondContact O-N 2.9Å; F268-T558 HydrophobicContact CE1-CG2 4.13Å; F268-T558 VanDerWaalsContact CE1-OG1 3.27Å; F268-T558 WeakPolarHBondContact CE1-OG1 3.39Å; F268-Y566 AromaticContact CD1-CE2 3.99Å; F268-Y566 HydrophobicContact CD1-CE2 3.99Å; F268-Y566 AromaticContact CE1-CE2 3.84Å; F268-Y566 HydrophobicContact CE1-CE2 3.84Å; F268-H569 AromaticContact CE2-CD2 3.89Å; F268-H569 AromaticContact CE2-NE2 3.61Å; F268-I570 HydrophobicContact CB-CD1 3.52Å; F268-I570 HydrophobicContact CD1-CD1 3.7Å; F268-I570 HydrophobicContact CD2-CD1 3.59Å; F268-I570 HydrophobicContact CE1-CD1 4.28Å; F268-I570 HydrophobicContact CE2-CD1 4.17Å; F268-I570 HydrophobicContact CG-CD1 3.31Å; F268-I570 HydrophobicContact CZ-CD1 4.49Å
269	V	92.5	Very high	84.6	Confident	1 Å²	1	31.6 Å²	31.6	1%	0.006	15%	0.153	C	C	.	.	H	α-helix	trans	-55.7	-45.1	176.7	167.2	0	0	0	0	110.7	S265 W266 R272 S273 S371 P372 I374 L375	S265-V269 VanDerWaalsContact O-CG2 3.29Å; S265-V269 WeakPolarHBondContact O-CG2 3.32Å; S265-V269 PolarHBondContact O-N 2.92Å; W266-V269 WeakPolarHBondContact O-CB 3.49Å; W266-V269 PolarHBondContact O-N 3.01Å; V269-R272 CarbonylContact O-C 3.57Å; V269-R272 PolarHBondContact O-N 3.31Å; V269-S273 PolarHBondContact O-N 2.73Å; V269-S371 VanDerWaalsContact CG2-C 3.44Å; V269-S371 WeakPolarHBondContact CG2-O 3.36Å; V269-P372 HydrophobicContact CG2-CB 4.44Å; V269-P372 HydrophobicContact CG2-CG 4.13Å; V269-I374 HydrophobicContact CG1-CG2 4.06Å; V269-L375 HydrophobicContact CG1-CD1 3.66Å; V269-L375 HydrophobicContact CG1-CD2 3.82Å; V269-L375 HydrophobicContact CG1-CG 3.56Å
270	Q	89.6	Confident	82.1	Confident	26 Å²	26	38.9 Å²	38.9	12%	0.121	20%	0.197	C	C	.	.	H	α-helix	trans	-69.5	-44.1	179.5	-50.5	-46.5	14.7	0	0	113.3	W266 K267 F268 R272 S273 V290 P323	W266-Q270 HydrophobicContact CZ2-CG 4.41Å; W266-Q270 WeakPolarHBondContact O-CG 3.26Å; W266-Q270 PolarHBondContact O-N 2.89Å; W266-Q270 VanDerWaalsContact O-N 3.13Å; K267-Q270 PolarHBondContact O-N 2.91Å; F268-Q270 VanDerWaalsContact C-N 3.29Å; F268-Q270 PolarHBondContact O-N 2.92Å; Q270-R272 PolarHBondContact O-N 2.66Å; Q270-S273 WeakPolarHBondContact O-CB 3.04Å; Q270-S273 PolarHBondContact O-N 2.93Å; Q270-S273 PolarHBondContact O-OG 2.6Å; Q270-V290 PolarHBondContact NE2-O 3.34Å; Q270-V290 VanDerWaalsContact NE2-O 3.14Å; Q270-P323 HydrophobicContact CG-CB 3.98Å; Q270-P323 HydrophobicContact CG-CG 4.31Å; Q270-P323 VanDerWaalsContact NE2-CG 3.35Å
271	E	88.4	Confident	79.1	Confident	85 Å²	85	43.7 Å²	43.7	40%	0.397	23%	0.227	S	C	.	.	H	α-helix	trans	-65	-28.4	178.1	-72.3	174.2	173.7	0	0	113.2	K267 F268 F274 R577	K267-E271 WeakPolarHBondContact O-CB 3.33Å; K267-E271 VanDerWaalsContact O-CG 3.31Å; K267-E271 WeakPolarHBondContact O-CG 3.47Å; K267-E271 PolarHBondContact O-N 3Å; F268-E271 PolarHBondContact O-N 3.1Å; E271-F274 WeakPolarHBondContact O-CE1 3.31Å; E271-R577 IonicContact OE1-CZ 3.17Å; E271-R577 IonicContact OE1-NH1 2.79Å; E271-R577 IonicContact OE1-NH2 2.71Å; E271-R577 PolarHBondContact OE1-NH2 3.43Å; E271-R577 IonicContact OE2-CZ 3.91Å; E271-R577 IonicContact OE2-NH1 2.64Å; E271-R577 PolarHBondContact OE2-NH1 2.88Å; E271-R577 IonicContact OE2-NH2 3.12Å; E271-R577 PolarHBondContact OE2-NH2 3.38Å
272	R	84.1	Confident	76.3	Confident	29 Å²	29	49.2 Å²	49.2	11%	0.109	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.9	15.5	178.3	-59.2	-57.2	-172.1	89.8	13.8	113.2	F268 V269 Q270 F274 E275 K556	F268-R272 HydrophobicContact CD1-CG 4.22Å; F268-R272 HydrophobicContact CD2-CG 4.31Å; F268-R272 HydrophobicContact CE1-CB 4.31Å; F268-R272 HydrophobicContact CE1-CG 3.9Å; F268-R272 HydrophobicContact CE2-CG 4.01Å; F268-R272 HydrophobicContact CG-CG 4.41Å; F268-R272 HydrophobicContact CZ-CG 3.79Å; F268-R272 WeakPolarHBondContact O-CB 3.25Å; F268-R272 WeakPolarHBondContact O-CG 3.44Å; F268-R272 PolarHBondContact O-N 2.9Å; V269-R272 CarbonylContact O-C 3.57Å; V269-R272 PolarHBondContact O-N 3.31Å; Q270-R272 PolarHBondContact O-N 2.66Å; R272-F274 PolarHBondContact O-N 3.49Å; R272-E275 HydrophobicContact CB-CG 4.2Å; R272-E275 VanDerWaalsContact CD-OE1 3.28Å; R272-E275 WeakPolarHBondContact CD-OE1 3.34Å; R272-E275 IonicContact CZ-OE1 3.98Å; R272-E275 IonicContact NE-OE1 2.9Å; R272-E275 IonicContact NH1-OE1 2.62Å; R272-E275 PolarHBondContact NH1-OE1 2.99Å; R272-E275 WeakPolarHBondContact O-CB 3.42Å; R272-E275 PolarHBondContact O-N 3.48Å; R272-K556 PolarHBondContact NH1-O 2.99Å
273	S	82.4	Confident	74	Confident	5 Å²	5	52.4 Å²	52.4	4%	0.035	28%	0.279	C	S	.	.	H	α-helix	trans	-51.5	-31	175.9	49.2	0	0	0	0	113.1	T233 V269 Q270 E275 V276 T277	T233-S273 PolarHBondContact OG1-OG 2.92Å; V269-S273 PolarHBondContact O-N 2.73Å; Q270-S273 WeakPolarHBondContact O-CB 3.04Å; Q270-S273 PolarHBondContact O-N 2.93Å; Q270-S273 PolarHBondContact O-OG 2.6Å; S273-E275 VanDerWaalsContact C-N 3.26Å; S273-E275 PolarHBondContact O-N 2.83Å; S273-V276 PolarHBondContact O-N 3.03Å; S273-V276 VanDerWaalsContact O-N 3.15Å; S273-T277 PolarHBondContact O-N 2.84Å
274	F	77.7	Confident	71.7	Confident	95 Å²	95	60.5 Å²	60.5	42%	0.417	32%	0.318	S	S	.	.	H	α-helix	trans	-59.7	-34	174.6	71	-91.2	0	0	0	113.1	E271 R272 V276 T277 F278	E271-F274 WeakPolarHBondContact O-CE1 3.31Å; R272-F274 PolarHBondContact O-N 3.49Å; F274-V276 PolarHBondContact O-N 2.93Å; F274-T277 VanDerWaalsContact CA-OG1 3.24Å; F274-T277 WeakPolarHBondContact CA-OG1 3.12Å; F274-T277 PolarHBondContact O-N 3.13Å; F274-T277 VanDerWaalsContact O-N 3.16Å; F274-T277 PolarHBondContact O-OG1 2.85Å; F274-F278 HydrophobicContact CB-CD2 4.13Å; F274-F278 HydrophobicContact CB-CE2 4.16Å; F274-F278 HydrophobicContact CD2-CD2 4.28Å; F274-F278 WeakPolarHBondContact O-CD2 3.28Å; F274-F278 PolarHBondContact O-N 3.14Å; F274-F278 VanDerWaalsContact O-N 3.11Å
275	E	75.5	Confident	70	Confident	19 Å²	19	64.6 Å²	64.6	9%	0.089	34%	0.337	C	S	.	.	H	α-helix	trans	-64.1	-26.5	179.4	-62.3	-174.7	-169	0	0	112.2	R272 S273 T558	R272-E275 HydrophobicContact CB-CG 4.2Å; R272-E275 VanDerWaalsContact CD-OE1 3.28Å; R272-E275 WeakPolarHBondContact CD-OE1 3.34Å; R272-E275 IonicContact CZ-OE1 3.98Å; R272-E275 IonicContact NE-OE1 2.9Å; R272-E275 IonicContact NH1-OE1 2.62Å; R272-E275 PolarHBondContact NH1-OE1 2.99Å; R272-E275 WeakPolarHBondContact O-CB 3.42Å; R272-E275 PolarHBondContact O-N 3.48Å; S273-E275 VanDerWaalsContact C-N 3.26Å; S273-E275 PolarHBondContact O-N 2.83Å; E275-T558 VanDerWaalsContact OE2-CB 3.28Å; E275-T558 WeakPolarHBondContact OE2-CB 3.42Å; E275-T558 PolarHBondContact OE2-N 2.87Å; E275-T558 PolarHBondContact OE2-OG1 3.44Å
276	V	69	Low	69.3	Low	23 Å²	23	70.9 Å²	70.9	14%	0.139	36%	0.364	C	S	.	.	H	α-helix	trans	-86.4	-28.1	177.5	-177.2	0	0	0	0	111.6	S273 F274 P279 P372 L375 N376	S273-V276 PolarHBondContact O-N 3.03Å; S273-V276 VanDerWaalsContact O-N 3.15Å; F274-V276 PolarHBondContact O-N 2.93Å; V276-P279 WeakPolarHBondContact O-CD 3.49Å; V276-P372 HydrophobicContact CG2-CB 3.6Å; V276-L375 HydrophobicContact CG1-CB 4.4Å; V276-L375 HydrophobicContact CG2-CD1 4.3Å; V276-N376 HydrophobicContact CG1-CB 4.35Å; V276-N376 VanDerWaalsContact CG1-ND2 3.27Å; V276-N376 WeakPolarHBondContact CG1-ND2 3.12Å
277	T	58.2	Low	68.9	Low	63 Å²	63	70.8 Å²	70.8	39%	0.387	36%	0.364	S	S	.	.	H	α-helix	trans	-81.8	-16.3	176.8	55.3	0	0	0	0	114.3	S273 F274 P279 L287	S273-T277 PolarHBondContact O-N 2.84Å; F274-T277 VanDerWaalsContact CA-OG1 3.24Å; F274-T277 WeakPolarHBondContact CA-OG1 3.12Å; F274-T277 PolarHBondContact O-N 3.13Å; F274-T277 VanDerWaalsContact O-N 3.16Å; F274-T277 PolarHBondContact O-OG1 2.85Å; T277-P279 WeakPolarHBondContact O-CD 3.32Å; T277-L287 HydrophobicContact CG2-CD1 3.75Å; T277-L287 HydrophobicContact CG2-CD2 3.84Å; T277-L287 HydrophobicContact CG2-CG 4.04Å
278	F	50.3	Low	68.8	Low	163 Å²	163	68.5 Å²	68.5	72%	0.715	35%	0.354	S	S	*	.			trans	-95.6	31.1	-176.4	-83.6	-67.9	0	0	0	117.2	F274	F274-F278 HydrophobicContact CB-CD2 4.13Å; F274-F278 HydrophobicContact CB-CE2 4.16Å; F274-F278 HydrophobicContact CD2-CD2 4.28Å; F274-F278 WeakPolarHBondContact O-CD2 3.28Å; F274-F278 PolarHBondContact O-N 3.14Å; F274-F278 VanDerWaalsContact O-N 3.11Å
279	P	48.4	Very low	68.9	Low	65 Å²	65	68.8 Å²	68.8	42%	0.422	36%	0.356	S	S	.	.	S	Bend	trans	-61.2	147.3	156.4	-21	34.7	0	0	0	110.1	V276 T277 V281 L283	V276-P279 WeakPolarHBondContact O-CD 3.49Å; T277-P279 WeakPolarHBondContact O-CD 3.32Å; P279-V281 PolarHBondContact O-N 3.15Å; P279-V281 VanDerWaalsContact O-O 3.13Å; P279-L283 HydrophobicContact CB-CD1 4.45Å; P279-L283 HydrophobicContact CG-CD1 3.73Å
280	V	40.3	Very low	69.1	Low	156 Å²	156	68.8 Å²	68.8	95%	0.945	36%	0.356	S	S	*	.	S	Bend	trans	-62.2	-3.6	179.5	176	0	0	0	0	113
281	V	32.6	Very low	69.4	Low	101 Å²	101	67.6 Å²	67.6	61%	0.612	35%	0.35	S	S	*	.	S	Bend	trans	-107.3	128.4	172.8	-175.2	0	0	0	0	107.4	P279 L283	P279-V281 PolarHBondContact O-N 3.15Å; P279-V281 VanDerWaalsContact O-O 3.13Å; V281-L283 VanDerWaalsContact C-N 3.3Å; V281-L283 PolarHBondContact O-N 3Å
282	P	38.6	Very low	69.8	Low	116 Å²	116	63.5 Å²	63.5	75%	0.753	33%	0.332	S	S	*	.			trans	-60.7	99.3	172	25.1	-30.1	0	0	0	107.6	E284	P282-E284 VanDerWaalsContact C-N 3.35Å; P282-E284 PolarHBondContact O-N 3.21Å
283	L	49.1	Very low	70.4	Confident	67 Å²	67	62.1 Å²	62.1	35%	0.351	33%	0.326	S	S	.	.			trans	-66.2	105.1	163	-80.3	160.8	0	0	0	104.9	P279 V281 E285	P279-L283 HydrophobicContact CB-CD1 4.45Å; P279-L283 HydrophobicContact CG-CD1 3.73Å; V281-L283 VanDerWaalsContact C-N 3.3Å; V281-L283 PolarHBondContact O-N 3Å; L283-E285 HydrophobicContact CB-CB 4.12Å; L283-E285 HydrophobicContact CB-CG 4.41Å; L283-E285 HydrophobicContact CD2-CB 4.08Å; L283-E285 VanDerWaalsContact CD2-CD 3.4Å; L283-E285 HydrophobicContact CD2-CG 3.64Å; L283-E285 WeakPolarHBondContact CD2-OE2 3.48Å; L283-E285 PolarHBondContact O-N 3.39Å; L283-E285 VanDerWaalsContact O-N 3.07Å
284	E	48.3	Very low	71.1	Confident	191 Å²	191	61.9 Å²	61.9	89%	0.893	33%	0.325	S	S	*	.			trans	-59.7	-3.4	158.1	-68.9	-174.7	160	0	0	111.4	P282 K286	P282-E284 VanDerWaalsContact C-N 3.35Å; P282-E284 PolarHBondContact O-N 3.21Å; E284-K286 PolarHBondContact O-N 3.22Å
285	E	62.1	Low	71.9	Confident	87 Å²	87	57.4 Å²	57.4	41%	0.407	31%	0.305	S	S	.	.	P	Polyproline II helix	trans	-69	120.7	-179.8	-59.4	-171.6	173.5	0	0	111.9	L283	L283-E285 HydrophobicContact CB-CB 4.12Å; L283-E285 HydrophobicContact CB-CG 4.41Å; L283-E285 HydrophobicContact CD2-CB 4.08Å; L283-E285 VanDerWaalsContact CD2-CD 3.4Å; L283-E285 HydrophobicContact CD2-CG 3.64Å; L283-E285 WeakPolarHBondContact CD2-OE2 3.48Å; L283-E285 PolarHBondContact O-N 3.39Å; L283-E285 VanDerWaalsContact O-N 3.07Å
286	K	81.7	Confident	72.8	Confident	133 Å²	133	56.5 Å²	56.5	58%	0.578	30%	0.301	S	S	*	.	P	Polyproline II helix	trans	-73.8	130.9	177.4	-58.2	175.5	176.6	-179.6	0	109.4	S236 G237 E284 N288	S236-K286 VanDerWaalsContact C-CB 3.49Å; S236-K286 WeakPolarHBondContact O-CD 3.31Å; S236-K286 WeakPolarHBondContact OG-CB 3.18Å; S236-K286 WeakPolarHBondContact OG-CD 3.39Å; S236-K286 VanDerWaalsContact OG-CG 3.29Å; S236-K286 WeakPolarHBondContact OG-CG 3.28Å; G237-K286 VanDerWaalsContact N-CB 3.35Å; E284-K286 PolarHBondContact O-N 3.22Å; K286-N288 PolarHBondContact O-N 2.81Å
287	L	89.7	Confident	73.8	Confident	6 Å²	6	57.1 Å²	57.1	3%	0.031	30%	0.302	C	S	.	.	P	Polyproline II helix	trans	-66.7	136	176.4	-56.8	-168.9	0	0	0	110.9	T233 F235 S236 G237 T277 L375 N376	T233-L287 HydrophobicContact CG2-CD1 3.24Å; T233-L287 HydrophobicContact CG2-CG 4.38Å; F235-L287 CarbonylContact C-O 3.52Å; F235-L287 VanDerWaalsContact C-O 3.26Å; F235-L287 WeakPolarHBondContact CA-O 3.46Å; F235-L287 HydrophobicContact CD1-CB 3.72Å; F235-L287 HydrophobicContact CD1-CD1 4.27Å; F235-L287 HydrophobicContact CE1-CB 4.19Å; F235-L287 HydrophobicContact CE1-CD1 3.97Å; S236-L287 PolarHBondContact N-O 3.48Å; S236-L287 VanDerWaalsContact N-O 3.12Å; G237-L287 WeakPolarHBondContact CA-O 3.1Å; G237-L287 PolarHBondContact N-O 3.42Å; T277-L287 HydrophobicContact CG2-CD1 3.75Å; T277-L287 HydrophobicContact CG2-CD2 3.84Å; T277-L287 HydrophobicContact CG2-CG 4.04Å; L287-L375 CarbonylContact C-O 3.48Å; L287-L375 WeakPolarHBondContact CA-O 3.44Å; L287-L375 HydrophobicContact CD2-CB 4.41Å; L287-N376 WeakPolarHBondContact CD2-OD1 3.48Å
288	N	93.8	Very high	75.4	Confident	6 Å²	6	57.5 Å²	57.5	3%	0.032	31%	0.305	C	S	.	.	P	Polyproline II helix	trans	-63.4	138.4	171.2	-64.6	-33.7	0	0	0	110.8	F235 S238 I240 K286 V290 I374 L375 F377	F235-N288 VanDerWaalsContact CD1-O 3.27Å; F235-N288 WeakPolarHBondContact CD1-O 3.49Å; S238-N288 WeakPolarHBondContact CB-OD1 3.34Å; S238-N288 PolarHBondContact N-OD1 2.89Å; S238-N288 CarbonylContact O-C 3.51Å; S238-N288 VanDerWaalsContact O-CA 3.26Å; S238-N288 WeakPolarHBondContact O-CA 3.39Å; S238-N288 WeakPolarHBondContact O-CB 3.48Å; S238-N288 PolarHBondContact OG-OD1 3.35Å; I240-N288 HydrophobicContact CD1-CB 3.8Å; I240-N288 HydrophobicContact CG1-CB 4.46Å; K286-N288 PolarHBondContact O-N 2.81Å; N288-V290 HydrophobicContact CB-CG2 4.22Å; N288-I374 PolarHBondContact ND2-O 2.83Å; N288-L375 WeakPolarHBondContact CB-O 3.26Å; N288-L375 PolarHBondContact N-O 3.3Å; N288-L375 PolarHBondContact ND2-O 2.71Å; N288-F377 PolarHBondContact ND2-O 2.79Å
289	L	94.5	Very high	77.1	Confident	8 Å²	8	57.6 Å²	57.6	4%	0.042	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	116.6	169.9	-174.7	154	0	0	0	108.4	F235 S238 I240 D291 R321	F235-L289 HydrophobicContact CB-CB 3.97Å; F235-L289 HydrophobicContact CB-CD1 4.49Å; F235-L289 HydrophobicContact CB-CG 4.43Å; S238-L289 PolarHBondContact O-N 3.26Å; I240-L289 PolarHBondContact N-O 2.75Å; L289-D291 VanDerWaalsContact CD2-OD2 3.3Å; L289-D291 WeakPolarHBondContact CD2-OD2 3.49Å; L289-R321 HydrophobicContact CD1-CG 3.87Å; L289-R321 WeakPolarHBondContact CD1-O 3.37Å
290	V	96.4	Very high	79.1	Confident	1 Å²	1	54.8 Å²	54.8	1%	0.006	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	102.8	-173.9	-174.8	0	0	0	0	110.9	I240 V242 W266 Q270 N288 P323 L370 I374 L375	I240-V290 HydrophobicContact CB-CG2 4.32Å; I240-V290 HydrophobicContact CD1-CG2 4.31Å; I240-V290 WeakPolarHBondContact O-CA 3.46Å; V242-V290 HydrophobicContact CG2-CG1 3.71Å; W266-V290 PolarHBondContact NE1-O 3.4Å; Q270-V290 PolarHBondContact NE2-O 3.34Å; Q270-V290 VanDerWaalsContact NE2-O 3.14Å; N288-V290 HydrophobicContact CB-CG2 4.22Å; V290-P323 WeakPolarHBondContact O-CB 3.35Å; V290-L370 HydrophobicContact CG1-CD1 4.5Å; V290-I374 HydrophobicContact CG1-CD1 3.88Å; V290-I374 HydrophobicContact CG1-CG1 4.39Å; V290-I374 HydrophobicContact CG2-CD1 4.43Å; V290-I374 HydrophobicContact CG2-CG1 4.04Å; V290-I374 HydrophobicContact CG2-CG2 4.16Å; V290-L375 HydrophobicContact CG2-CD2 4.17Å
291	D	96.6	Very high	81.5	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	151.6	175.7	-65.2	-43.5	0	0	0	112.1	I240 V242 L289 R321 T324 Y326 Y358	I240-D291 PolarHBondContact O-N 3.13Å; V242-D291 WeakPolarHBondContact CB-O 3.25Å; V242-D291 PolarHBondContact N-O 3.45Å; L289-D291 VanDerWaalsContact CD2-OD2 3.3Å; L289-D291 WeakPolarHBondContact CD2-OD2 3.49Å; D291-R321 IonicContact OD1-CZ 3.51Å; D291-R321 IonicContact OD1-NH1 2.81Å; D291-R321 PolarHBondContact OD1-NH1 3.49Å; D291-R321 IonicContact OD2-CZ 3.46Å; D291-R321 IonicContact OD2-NH1 3.44Å; D291-R321 PolarHBondContact OD2-NH1 3.07Å; D291-R321 IonicContact OD2-NH2 3.73Å; D291-R321 PolarHBondContact OD2-NH2 3.24Å; D291-T324 WeakPolarHBondContact CA-O 3.33Å; D291-T324 WeakPolarHBondContact CB-O 3.45Å; D291-T324 PolarHBondContact OD1-N 3.42Å; D291-Y326 HydrophobicContact CB-CD2 4.36Å; D291-Y326 HydrophobicContact CB-CE2 4.36Å; D291-Y358 HydrophobicContact CB-CE1 4.15Å; D291-Y358 WeakPolarHBondContact CB-OH 3.14Å; D291-Y358 WeakPolarHBondContact OD2-CE1 3.44Å; D291-Y358 PolarHBondContact OD2-OH 3.27Å
292	L	97.4	Very high	84.1	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	128.3	163.2	-62.4	-174.8	0	0	0	109.3	V242 L244 F258 M262 Y263 W266 V294 T324 C325 Y326 L370	V242-L292 HydrophobicContact CB-CD2 3.72Å; V242-L292 HydrophobicContact CG1-CD2 3.98Å; V242-L292 HydrophobicContact CG2-CD2 4.16Å; L244-L292 HydrophobicContact CD2-CB 4.5Å; L244-L292 HydrophobicContact CD2-CD2 4.31Å; F258-L292 HydrophobicContact CE2-CD1 4.37Å; F258-L292 HydrophobicContact CZ-CD1 4.45Å; M262-L292 HydrophobicContact CG-CD2 4.29Å; M262-L292 HydrophobicContact SD-CD2 4.23Å; Y263-L292 HydrophobicContact CD2-CD1 4.41Å; W266-L292 HydrophobicContact CB-CD1 3.71Å; W266-L292 HydrophobicContact CB-CD2 3.99Å; W266-L292 HydrophobicContact CB-CG 3.99Å; W266-L292 HydrophobicContact CD2-CD1 3.71Å; W266-L292 HydrophobicContact CD2-CG 3.71Å; W266-L292 HydrophobicContact CE3-CD1 3.92Å; W266-L292 HydrophobicContact CE3-CG 4.36Å; W266-L292 HydrophobicContact CG-CD1 3.62Å; W266-L292 HydrophobicContact CG-CD2 3.82Å; W266-L292 HydrophobicContact CG-CG 3.5Å; W266-L292 VanDerWaalsContact CG-CG 3.5Å; L292-V294 HydrophobicContact CB-CG2 4.2Å; L292-T324 PolarHBondContact N-O 3.01Å; L292-T324 VanDerWaalsContact N-O 3.13Å; L292-C325 HydrophobicContact CB-CB 4.32Å; L292-Y326 PolarHBondContact O-N 3.28Å; L292-L370 HydrophobicContact CD2-CD1 4.14Å
293	L	96.5	Very high	86.4	Confident	0 Å²	0	43 Å²	43	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	93.7	175.5	-59.8	179.3	0	0	0	108.3	V242 L243 L244 F295 M312 Y326 Y358 F361	V242-L293 PolarHBondContact O-N 3.04Å; L243-L293 HydrophobicContact CD2-CB 4Å; L243-L293 HydrophobicContact CD2-CD1 3.7Å; L243-L293 HydrophobicContact CD2-CG 4.49Å; L244-L293 PolarHBondContact N-O 2.9Å; L293-F295 HydrophobicContact CB-CE2 4.11Å; L293-M312 HydrophobicContact CB-CE 4.36Å; L293-M312 HydrophobicContact CD2-CE 4.16Å; L293-Y326 HydrophobicContact CD2-CD2 4.06Å; L293-Y358 HydrophobicContact CD1-CD2 4.27Å; L293-Y358 HydrophobicContact CD1-CE2 3.68Å; L293-Y358 HydrophobicContact CD2-CE2 4.26Å; L293-Y358 HydrophobicContact CG-CE2 4.47Å; L293-F361 HydrophobicContact CD1-CD1 4.41Å; L293-F361 HydrophobicContact CD1-CE1 3.77Å
294	V	96	Very high	88.4	Confident	0 Å²	0	40 Å²	40	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	110	-171.3	-171.6	0	0	0	0	110.5	L244 L246 F258 L292 C296 L304 Y326 Y327 Q328	L244-V294 HydrophobicContact CD1-CB 4.47Å; L244-V294 HydrophobicContact CD1-CG1 4Å; L244-V294 HydrophobicContact CD1-CG2 4.08Å; L244-V294 HydrophobicContact CD2-CG2 4.11Å; L244-V294 HydrophobicContact CG-CG1 4.45Å; L244-V294 HydrophobicContact CG-CG2 4.18Å; L246-V294 HydrophobicContact CD1-CG1 3.44Å; L246-V294 VanDerWaalsContact CD1-CG1 3.44Å; L246-V294 HydrophobicContact CG-CG1 3.7Å; F258-V294 HydrophobicContact CE2-CG2 3.89Å; F258-V294 HydrophobicContact CZ-CG1 4.46Å; F258-V294 HydrophobicContact CZ-CG2 3.73Å; L292-V294 HydrophobicContact CB-CG2 4.2Å; V294-C296 HydrophobicContact CG1-CB 4.47Å; V294-L304 HydrophobicContact CB-CD1 4.38Å; V294-L304 HydrophobicContact CG1-CD1 3.86Å; V294-L304 HydrophobicContact CG1-CD2 4.39Å; V294-Y326 WeakPolarHBondContact CB-O 3.27Å; V294-Y326 PolarHBondContact N-O 3.46Å; V294-Y327 CarbonylContact O-C 3.49Å; V294-Y327 WeakPolarHBondContact O-CA 3.43Å; V294-Q328 PolarHBondContact O-N 2.62Å
295	F	95	Very high	90.4	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	108.8	173.3	-65.9	-95	0	0	0	108.2	L243 L244 T245 L246 L293 M312 Q328 T330 F345 E348 F351	L243-F295 HydrophobicContact CD2-CE2 4.02Å; L244-F295 PolarHBondContact O-N 3.4Å; T245-F295 CarbonylContact C-O 3.51Å; T245-F295 WeakPolarHBondContact CA-O 3.4Å; T245-F295 HydrophobicContact CG2-CB 4.39Å; T245-F295 WeakPolarHBondContact CG2-O 3.37Å; L246-F295 PolarHBondContact N-O 2.84Å; L293-F295 HydrophobicContact CB-CE2 4.11Å; F295-M312 HydrophobicContact CE1-CE 4.47Å; F295-M312 HydrophobicContact CE2-CE 4.36Å; F295-M312 HydrophobicContact CZ-CE 4.13Å; F295-M312 HydrophobicContact CZ-SD 4.45Å; F295-Q328 WeakPolarHBondContact CA-O 3.28Å; F295-Q328 HydrophobicContact CD1-CB 3.97Å; F295-Q328 HydrophobicContact CD1-CG 4.06Å; F295-Q328 HydrophobicContact CE1-CB 4.06Å; F295-Q328 HydrophobicContact CE1-CG 4.06Å; F295-T330 HydrophobicContact CB-CG2 3.8Å; F295-F345 HydrophobicContact CB-CB 4Å; F295-F345 HydrophobicContact CD1-CB 3.61Å; F295-F345 HydrophobicContact CD2-CB 3.29Å; F295-F345 HydrophobicContact CD2-CG 4.34Å; F295-F345 HydrophobicContact CE1-CB 3.82Å; F295-F345 HydrophobicContact CE2-CB 3.51Å; F295-F345 HydrophobicContact CE2-CG 4.44Å; F295-F345 HydrophobicContact CG-CB 3.33Å; F295-F345 HydrophobicContact CZ-CB 3.77Å; F295-E348 HydrophobicContact CD1-CB 4.3Å; F295-E348 HydrophobicContact CD1-CG 3.86Å; F295-E348 HydrophobicContact CE1-CB 4Å; F295-E348 HydrophobicContact CE1-CG 4.08Å; F295-F351 HydrophobicContact CE1-CB 4.05Å; F295-F351 HydrophobicContact CE2-CD2 4.5Å; F295-F351 HydrophobicContact CZ-CB 3.91Å; F295-F351 HydrophobicContact CZ-CD2 4.02Å; F295-F351 HydrophobicContact CZ-CG 4.34Å
296	C	93.5	Very high	91.6	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	147.7	-171.3	46	0	0	0	0	111.3	L246 V294 C301 L304 Q328 P329 T330	L246-C296 HydrophobicContact CB-CB 4.06Å; L246-C296 HydrophobicContact CD1-CB 4.36Å; V294-C296 HydrophobicContact CG1-CB 4.47Å; C296-C301 VanDerWaalsContact C-SG 3.55Å; C296-C301 HydrophobicContact CB-CB 4.12Å; C296-C301 WeakPolarHBondContact CB-SG 3.38Å; C296-C301 PolarHBondContact O-SG 2.96Å; C296-C301 WeakPolarHBondContact SG-CA 3.25Å; C296-C301 WeakPolarHBondContact SG-CB 3.42Å; C296-C301 CovalentContact SG-SG 2.03Å; C296-C301 PolarHBondContact SG-SG 3.28Å; C296-L304 HydrophobicContact CB-CD1 4.17Å; C296-Q328 PolarHBondContact N-O 3.35Å; C296-P329 CarbonylContact O-C 3.49Å; C296-P329 VanDerWaalsContact O-CA 3.27Å; C296-P329 WeakPolarHBondContact O-CA 3.23Å; C296-T330 PolarHBondContact O-N 3.15Å
297	E	91.1	Very high	92.1	Very high	37 Å²	37	27.7 Å²	27.7	17%	0.173	16%	0.156	C	C	.	.			trans	-61.2	140.1	167.7	-164.9	-76.4	147.6	0	0	109.7	L246 Y248 R299 T300 C301	L246-E297 PolarHBondContact O-N 3.46Å; L246-E297 VanDerWaalsContact O-N 3.13Å; Y248-E297 HydrophobicContact CG-CG 4.47Å; E297-R299 VanDerWaalsContact C-N 3.26Å; E297-R299 PolarHBondContact O-N 2.97Å; E297-R299 VanDerWaalsContact O-N 3.08Å; E297-R299 WeakPolarHBondContact OE2-CA 3.23Å; E297-R299 WeakPolarHBondContact OE2-CB 3.44Å; E297-R299 PolarHBondContact OE2-N 2.92Å; E297-T300 WeakPolarHBondContact O-CA 3.15Å; E297-T300 WeakPolarHBondContact O-CB 3.43Å; E297-T300 PolarHBondContact O-N 3.44Å; E297-T300 PolarHBondContact OE2-N 3.22Å; E297-C301 PolarHBondContact O-N 3.17Å; E297-C301 PolarHBondContact O-SG 3.29Å
298	P	90.6	Very high	92.2	Very high	70 Å²	70	27.8 Å²	27.8	46%	0.455	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-47.5	-36.4	-174.9	-33.7	33.4	0	0	0	116.9	P302 P329	P298-P302 WeakPolarHBondContact O-CD 3.39Å; P298-P329 HydrophobicContact CG-CB 4.21Å
299	R	88	Confident	92.2	Very high	166 Å²	166	30.9 Å²	30.9	63%	0.626	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-25.1	177	-55.4	178.9	171.7	-175.2	-2.2	112.4	Y248 E297	Y248-R299 HydrophobicContact CD2-CB 3.96Å; Y248-R299 HydrophobicContact CE2-CB 3.91Å; E297-R299 VanDerWaalsContact C-N 3.26Å; E297-R299 PolarHBondContact O-N 2.97Å; E297-R299 VanDerWaalsContact O-N 3.08Å; E297-R299 WeakPolarHBondContact OE2-CA 3.23Å; E297-R299 WeakPolarHBondContact OE2-CB 3.44Å; E297-R299 PolarHBondContact OE2-N 2.92Å
300	T	88.8	Confident	91.8	Very high	5 Å²	5	34 Å²	34	3%	0.031	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-34.5	175.8	-57	0	0	0	0	112.1	L246 V255 E297 L303	L246-T300 HydrophobicContact CB-CG2 4.17Å; L246-T300 HydrophobicContact CD1-CG2 4.49Å; V255-T300 HydrophobicContact CG2-CG2 3.6Å; E297-T300 WeakPolarHBondContact O-CA 3.15Å; E297-T300 WeakPolarHBondContact O-CB 3.43Å; E297-T300 PolarHBondContact O-N 3.44Å; E297-T300 PolarHBondContact OE2-N 3.22Å; T300-L303 VanDerWaalsContact O-CB 3.27Å; T300-L303 WeakPolarHBondContact O-CB 3.41Å; T300-L303 PolarHBondContact O-N 3.11Å
301	C	90.4	Very high	91	Very high	4 Å²	4	40.3 Å²	40.3	3%	0.027	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-55.1	-43.9	-174.6	-61.3	0	0	0	0	115.3	C296 E297 L303 L304 Y327	C296-C301 VanDerWaalsContact C-SG 3.55Å; C296-C301 HydrophobicContact CB-CB 4.12Å; C296-C301 WeakPolarHBondContact CB-SG 3.38Å; C296-C301 PolarHBondContact O-SG 2.96Å; C296-C301 WeakPolarHBondContact SG-CA 3.25Å; C296-C301 WeakPolarHBondContact SG-CB 3.42Å; C296-C301 CovalentContact SG-SG 2.03Å; C296-C301 PolarHBondContact SG-SG 3.28Å; E297-C301 PolarHBondContact O-N 3.17Å; E297-C301 PolarHBondContact O-SG 3.29Å; C301-L303 PolarHBondContact O-N 2.98Å; C301-L304 WeakPolarHBondContact O-CB 3.39Å; C301-L304 WeakPolarHBondContact O-CG 3.5Å; C301-L304 PolarHBondContact O-N 2.81Å; C301-L304 VanDerWaalsContact O-N 3.07Å; C301-Y327 HydrophobicContact CB-CD2 3.75Å; C301-Y327 HydrophobicContact CB-CE2 3.68Å
302	P	87.6	Confident	90.1	Very high	84 Å²	84	40.5 Å²	40.5	55%	0.545	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	-62.9	-14.8	177.1	-23.6	35.3	0	0	0	113.8	P298 R581	P298-P302 WeakPolarHBondContact O-CD 3.39Å; P302-R581 PolarHBondContact O-NH2 3.26Å
303	L	87.6	Confident	88.9	Confident	39 Å²	39	44.7 Å²	44.7	20%	0.204	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-83.7	-14.8	178.4	-52.8	179.6	0	0	0	112.2	V255 M259 T300 C301 R581 H585	V255-L303 HydrophobicContact CG1-CB 3.96Å; V255-L303 HydrophobicContact CG2-CB 4.23Å; V255-L303 HydrophobicContact CG2-CD1 3.98Å; M259-L303 WeakPolarHBondContact CE-O 3.38Å; T300-L303 VanDerWaalsContact O-CB 3.27Å; T300-L303 WeakPolarHBondContact O-CB 3.41Å; T300-L303 PolarHBondContact O-N 3.11Å; C301-L303 PolarHBondContact O-N 2.98Å; L303-R581 PolarHBondContact O-NE 3.47Å; L303-H585 VanDerWaalsContact CD1-CE1 3.41Å; L303-H585 WeakPolarHBondContact CD1-CE1 3.43Å; L303-H585 WeakPolarHBondContact CD2-ND1 3.39Å
304	L	90	Very high	87.7	Confident	2 Å²	2	48.1 Å²	48.1	1%	0.01	26%	0.261	C	S	.	.	S	Bend	trans	-69.2	148	-177.5	-61.9	176.3	0	0	0	113.7	L246 F258 V294 C296 C301 C308 Y327 R581	L246-L304 HydrophobicContact CD1-CD1 4.35Å; L246-L304 HydrophobicContact CD1-CD2 3.14Å; L246-L304 HydrophobicContact CD1-CG 4.25Å; F258-L304 HydrophobicContact CD1-CD2 3.56Å; F258-L304 HydrophobicContact CE1-CD2 3.44Å; F258-L304 VanDerWaalsContact CE1-CD2 3.44Å; F258-L304 HydrophobicContact CZ-CD2 4.34Å; V294-L304 HydrophobicContact CB-CD1 4.38Å; V294-L304 HydrophobicContact CG1-CD1 3.86Å; V294-L304 HydrophobicContact CG1-CD2 4.39Å; C296-L304 HydrophobicContact CB-CD1 4.17Å; C301-L304 WeakPolarHBondContact O-CB 3.39Å; C301-L304 WeakPolarHBondContact O-CG 3.5Å; C301-L304 PolarHBondContact O-N 2.81Å; C301-L304 VanDerWaalsContact O-N 3.07Å; L304-C308 HydrophobicContact CB-CB 4.43Å; L304-Y327 VanDerWaalsContact CD1-CB 3.43Å; L304-Y327 HydrophobicContact CD1-CD1 4.25Å; L304-Y327 HydrophobicContact CD1-CD2 4.27Å; L304-Y327 HydrophobicContact CD1-CG 3.76Å; L304-R581 VanDerWaalsContact C-CZ 3.49Å; L304-R581 PolarHBondContact O-NE 2.9Å; L304-R581 PolarHBondContact O-NH1 3.39Å; L304-R581 PolarHBondContact O-NH2 3.29Å
305	P	90.9	Very high	86.9	Confident	9 Å²	9	48.2 Å²	48.2	6%	0.058	26%	0.261	C	S	.	.			trans	-43.6	144.7	-179.3	-30.2	38	0	0	0	114.6	F258 M259 Y263 D307 C308 R581	F258-P305 HydrophobicContact CE1-CG 4.38Å; M259-P305 HydrophobicContact CE-CG 4.44Å; M259-P305 HydrophobicContact CG-CG 4.26Å; Y263-P305 HydrophobicContact CD1-CB 4.46Å; Y263-P305 HydrophobicContact CD1-CG 3.75Å; Y263-P305 HydrophobicContact CD2-CB 4.2Å; Y263-P305 HydrophobicContact CD2-CG 3.77Å; Y263-P305 HydrophobicContact CE1-CB 3.89Å; Y263-P305 HydrophobicContact CE1-CG 3.65Å; Y263-P305 HydrophobicContact CE2-CB 3.55Å; Y263-P305 HydrophobicContact CE2-CG 3.64Å; Y263-P305 HydrophobicContact CG-CG 3.82Å; P305-D307 WeakPolarHBondContact CB-OD1 3.26Å; P305-D307 PolarHBondContact O-N 3.32Å; P305-D307 VanDerWaalsContact O-N 3.14Å; P305-C308 VanDerWaalsContact O-CB 3.28Å; P305-C308 WeakPolarHBondContact O-CB 3.13Å; P305-C308 PolarHBondContact O-N 3.3Å; P305-R581 VanDerWaalsContact C-NH1 3.26Å
306	A	88.6	Confident	86.1	Confident	89 Å²	89	51.2 Å²	51.2	74%	0.736	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-19.2	-166.2	0	0	0	0	0	113.3	C308	A306-C308 VanDerWaalsContact C-N 3.34Å
307	D	90.6	Very high	85.3	Confident	56 Å²	56	54.2 Å²	54.2	30%	0.299	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	0.8	174	64	-26.3	0	0	0	113.3	Y263 K267 P305	Y263-D307 PolarHBondContact OH-OD1 3.22Å; Y263-D307 PolarHBondContact OH-OD2 3.22Å; K267-D307 IonicContact NZ-OD2 2.62Å; K267-D307 PolarHBondContact NZ-OD2 3.3Å; P305-D307 WeakPolarHBondContact CB-OD1 3.26Å; P305-D307 PolarHBondContact O-N 3.32Å; P305-D307 VanDerWaalsContact O-N 3.14Å
308	C	93.5	Very high	84.4	Confident	7 Å²	7	59 Å²	59	5%	0.047	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	126.2	163.9	-65.5	0	0	0	0	109.7	L304 P305 A306 C325 Y327	L304-C308 HydrophobicContact CB-CB 4.43Å; P305-C308 VanDerWaalsContact O-CB 3.28Å; P305-C308 WeakPolarHBondContact O-CB 3.13Å; P305-C308 PolarHBondContact O-N 3.3Å; A306-C308 VanDerWaalsContact C-N 3.34Å; C308-C325 CarbonylContact C-O 3.48Å; C308-C325 VanDerWaalsContact CA-O 3.23Å; C308-C325 WeakPolarHBondContact CA-O 3.38Å; C308-C325 HydrophobicContact CB-CB 3.85Å; C308-C325 WeakPolarHBondContact CB-SG 3.43Å; C308-C325 WeakPolarHBondContact SG-CB 3.31Å; C308-C325 CovalentContact SG-SG 2.05Å; C308-C325 PolarHBondContact SG-SG 3.5Å; C308-Y327 HydrophobicContact CB-CD1 3.92Å; C308-Y327 VanDerWaalsContact O-CE1 3.3Å; C308-Y327 WeakPolarHBondContact O-CE1 3.15Å
309	L	92.7	Very high	83.6	Confident	71 Å²	71	62.9 Å²	62.9	37%	0.372	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	142.2	-171.6	-53.9	-177.4	0	0	0	112.1	K311 T324 C325 Y326 Y327	L309-K311 VanDerWaalsContact C-N 3.34Å; L309-K311 PolarHBondContact O-N 3.29Å; L309-T324 HydrophobicContact CD1-CG2 3.83Å; L309-T324 HydrophobicContact CG-CG2 4.16Å; L309-C325 PolarHBondContact N-O 3.23Å; L309-Y326 HydrophobicContact CB-CD1 4.1Å; L309-Y326 HydrophobicContact CB-CE1 4.39Å; L309-Y326 CarbonylContact O-C 3.47Å; L309-Y326 WeakPolarHBondContact O-CA 3.49Å; L309-Y327 PolarHBondContact O-N 3.12Å
310	T	87.1	Confident	82.8	Confident	73 Å²	73	61.3 Å²	61.3	45%	0.448	34%	0.343	S	S	.	.	S	Bend	trans	-73.3	-22.2	176.2	47.7	0	0	0	0	114.3	M312 Y327	T310-M312 PolarHBondContact O-N 3.06Å; T310-Y327 WeakPolarHBondContact CA-O 3.34Å; T310-Y327 HydrophobicContact CG2-CD1 4.48Å; T310-Y327 HydrophobicContact CG2-CD2 4.29Å; T310-Y327 HydrophobicContact CG2-CE1 3.68Å; T310-Y327 HydrophobicContact CG2-CE2 3.44Å; T310-Y327 VanDerWaalsContact CG2-CE2 3.44Å; T310-Y327 WeakPolarHBondContact CG2-OH 3.29Å
311	K	77.8	Confident	82.6	Confident	135 Å²	135	63 Å²	63	59%	0.587	35%	0.349	S	S	*	.			trans	-91.8	84.2	-169.5	-64.6	-173	-179.1	-176	0	111.2	L309 D313 I314 Y326	L309-K311 VanDerWaalsContact C-N 3.34Å; L309-K311 PolarHBondContact O-N 3.29Å; K311-D313 PolarHBondContact O-N 3.39Å; K311-I314 HydrophobicContact CB-CD1 4.26Å; K311-I314 HydrophobicContact CB-CG1 4.34Å; K311-I314 PolarHBondContact O-N 2.75Å; K311-Y326 WeakPolarHBondContact O-CD1 3.24Å; K311-Y326 WeakPolarHBondContact O-CE1 3.45Å
312	M	79.5	Confident	82.5	Confident	4 Å²	4	71.7 Å²	71.7	2%	0.02	38%	0.381	C	S	.	.	G	3₁₀ helix	trans	-61.6	-16.1	168.5	-73.2	-174.2	-179	0	0	112.5	L293 F295 T310 I314 V315 Y326 Q328 V354	L293-M312 HydrophobicContact CB-CE 4.36Å; L293-M312 HydrophobicContact CD2-CE 4.16Å; F295-M312 HydrophobicContact CE1-CE 4.47Å; F295-M312 HydrophobicContact CE2-CE 4.36Å; F295-M312 HydrophobicContact CZ-CE 4.13Å; F295-M312 HydrophobicContact CZ-SD 4.45Å; T310-M312 PolarHBondContact O-N 3.06Å; M312-I314 PolarHBondContact O-N 3.42Å; M312-I314 VanDerWaalsContact O-N 3.15Å; M312-V315 WeakPolarHBondContact O-CB 3.5Å; M312-V315 VanDerWaalsContact O-CG2 3.26Å; M312-V315 WeakPolarHBondContact O-CG2 3.44Å; M312-V315 PolarHBondContact O-N 3.37Å; M312-Y326 HydrophobicContact CG-CG 4.27Å; M312-Q328 HydrophobicContact CE-CB 3.62Å; M312-Q328 HydrophobicContact SD-CB 4.1Å; M312-V354 HydrophobicContact CB-CG1 4.07Å
313	D	71.7	Confident	82.8	Confident	88 Å²	88	68.4 Å²	68.4	47%	0.471	36%	0.36	S	S	.	.	G	3₁₀ helix	trans	-59.1	-25.9	176.3	-65.4	-45	0	0	0	114.3	K311 V315 K316	K311-D313 PolarHBondContact O-N 3.39Å; D313-V315 PolarHBondContact O-N 3.14Å; D313-K316 VanDerWaalsContact O-CB 3.23Å; D313-K316 WeakPolarHBondContact O-CB 3.41Å; D313-K316 WeakPolarHBondContact O-CG 3.2Å; D313-K316 PolarHBondContact O-N 2.84Å; D313-K316 WeakPolarHBondContact OD1-CE 3.19Å; D313-K316 IonicContact OD1-NZ 2.72Å; D313-K316 PolarHBondContact OD1-NZ 2.77Å
314	I	71.4	Confident	83.1	Confident	72 Å²	72	67.9 Å²	67.9	37%	0.369	36%	0.358	S	S	.	.	G	3₁₀ helix	trans	-62.9	-28.3	176.6	-63	172.8	0	0	0	111	K311 M312 K316 T317 Y326	K311-I314 HydrophobicContact CB-CD1 4.26Å; K311-I314 HydrophobicContact CB-CG1 4.34Å; K311-I314 PolarHBondContact O-N 2.75Å; M312-I314 PolarHBondContact O-N 3.42Å; M312-I314 VanDerWaalsContact O-N 3.15Å; I314-K316 PolarHBondContact O-N 3.43Å; I314-T317 PolarHBondContact O-N 2.93Å; I314-T317 PolarHBondContact O-OG1 3.34Å; I314-Y326 HydrophobicContact CB-CE1 4.36Å
315	V	79.2	Confident	83.4	Confident	1 Å²	1	67.8 Å²	67.8	1%	0.006	36%	0.358	C	S	.	.	G	3₁₀ helix	trans	-61.4	-25.6	176	-178.3	0	0	0	0	111.3	M312 D313 T317 Y326 Y358	M312-V315 WeakPolarHBondContact O-CB 3.5Å; M312-V315 VanDerWaalsContact O-CG2 3.26Å; M312-V315 WeakPolarHBondContact O-CG2 3.44Å; M312-V315 PolarHBondContact O-N 3.37Å; D313-V315 PolarHBondContact O-N 3.14Å; V315-T317 PolarHBondContact O-N 2.78Å; V315-T317 VanDerWaalsContact O-N 3.11Å; V315-Y326 HydrophobicContact CG2-CD2 3.98Å; V315-Y326 HydrophobicContact CG2-CE1 4.27Å; V315-Y326 HydrophobicContact CG2-CE2 3.51Å; V315-Y358 HydrophobicContact CG1-CD2 4.3Å; V315-Y358 HydrophobicContact CG1-CE2 3.49Å; V315-Y358 VanDerWaalsContact CG1-CE2 3.49Å
316	K	78.3	Confident	83.6	Confident	63 Å²	63	67.4 Å²	67.4	27%	0.274	36%	0.355	S	S	.	.	G	3₁₀ helix	trans	-72.7	0.2	-178.4	-55.1	178.2	173.2	163	0	113.8	D313 I314 E353 Y357	D313-K316 VanDerWaalsContact O-CB 3.23Å; D313-K316 WeakPolarHBondContact O-CB 3.41Å; D313-K316 WeakPolarHBondContact O-CG 3.2Å; D313-K316 PolarHBondContact O-N 2.84Å; D313-K316 WeakPolarHBondContact OD1-CE 3.19Å; D313-K316 IonicContact OD1-NZ 2.72Å; D313-K316 PolarHBondContact OD1-NZ 2.77Å; I314-K316 PolarHBondContact O-N 3.43Å; K316-E353 IonicContact NZ-OE2 3.37Å; K316-E353 PolarHBondContact NZ-OE2 3.28Å; K316-Y357 VanDerWaalsContact CA-CE1 3.44Å; K316-Y357 HydrophobicContact CB-CE1 3.95Å; K316-Y357 HydrophobicContact CB-CE2 3.97Å; K316-Y357 HydrophobicContact CD-CE2 4.41Å; K316-Y357 HydrophobicContact CG-CD2 4.14Å; K316-Y357 HydrophobicContact CG-CE2 3.61Å; K316-Y357 WeakPolarHBondContact O-CE1 3.28Å
317	T	75.5	Confident	83.9	Confident	63 Å²	63	65.3 Å²	65.3	39%	0.387	33%	0.328	S	S	.	.			trans	-100.2	138.2	-178.9	68.6	0	0	0	0	111.7	I314 V315 Q319	I314-T317 PolarHBondContact O-N 2.93Å; I314-T317 PolarHBondContact O-OG1 3.34Å; V315-T317 PolarHBondContact O-N 2.78Å; V315-T317 VanDerWaalsContact O-N 3.11Å; T317-Q319 PolarHBondContact O-N 2.88Å
318	D	72	Confident	84	Confident	138 Å²	138	64 Å²	64	74%	0.738	32%	0.321	S	S	*	.			trans	-83.9	7.2	176.2	-77.1	-36.7	0	0	0	114	K239	K239-D318 IonicContact NZ-OD1 2.66Å; K239-D318 PolarHBondContact NZ-OD1 2.8Å
319	Q	73.5	Confident	84	Confident	152 Å²	152	66.1 Å²	66.1	71%	0.71	33%	0.334	S	S	*	.	S	Bend	trans	-70.5	140.6	178.8	-65.4	-163.3	-7.7	0	0	111	T317 R321	T317-Q319 PolarHBondContact O-N 2.88Å; Q319-R321 PolarHBondContact O-N 2.91Å; Q319-R321 VanDerWaalsContact O-N 3.08Å
320	P	71.9	Confident	84	Confident	133 Å²	133	62.9 Å²	62.9	86%	0.864	32%	0.317	S	S	*	.			trans	-53	119.7	169.6	-24.8	33.5	0	0	0	109.9
321	R	84.6	Confident	84.1	Confident	41 Å²	41	69.1 Å²	69.1	16%	0.155	33%	0.333	C	S	.	.			trans	-133.7	164.4	-178.3	69.8	178.8	175.9	76.9	2.3	111.4	L289 D291 Q319	L289-R321 HydrophobicContact CD1-CG 3.87Å; L289-R321 WeakPolarHBondContact CD1-O 3.37Å; D291-R321 IonicContact OD1-CZ 3.51Å; D291-R321 IonicContact OD1-NH1 2.81Å; D291-R321 PolarHBondContact OD1-NH1 3.49Å; D291-R321 IonicContact OD2-CZ 3.46Å; D291-R321 IonicContact OD2-NH1 3.44Å; D291-R321 PolarHBondContact OD2-NH1 3.07Å; D291-R321 IonicContact OD2-NH2 3.73Å; D291-R321 PolarHBondContact OD2-NH2 3.24Å; Q319-R321 PolarHBondContact O-N 2.91Å; Q319-R321 VanDerWaalsContact O-N 3.08Å
322	R	88.1	Confident	84.7	Confident	185 Å²	185	65.8 Å²	65.8	70%	0.698	32%	0.319	S	S	*	.			trans	-81.2	151.2	175.1	-66.9	-175.2	-179.1	175.6	3.4	110.5	T324	R322-T324 PolarHBondContact O-N 2.99Å; R322-T324 PolarHBondContact O-OG1 3.14Å
323	P	94.1	Very high	85.4	Confident	16 Å²	16	67.1 Å²	67.1	10%	0.104	33%	0.325	C	S	.	.			trans	-53.1	132	166.2	-24.1	33.2	0	0	0	110.6	F235 W266 Q270 V290	F235-P323 HydrophobicContact CD1-CG 4.05Å; F235-P323 VanDerWaalsContact CD2-CD 3.46Å; F235-P323 HydrophobicContact CD2-CG 3.9Å; F235-P323 HydrophobicContact CE1-CG 3.91Å; F235-P323 VanDerWaalsContact CE2-CD 3.42Å; F235-P323 HydrophobicContact CE2-CG 3.76Å; F235-P323 HydrophobicContact CG-CG 4.03Å; F235-P323 HydrophobicContact CZ-CG 3.75Å; W266-P323 HydrophobicContact CZ2-CB 4.23Å; Q270-P323 HydrophobicContact CG-CB 3.98Å; Q270-P323 HydrophobicContact CG-CG 4.31Å; Q270-P323 VanDerWaalsContact NE2-CG 3.35Å; V290-P323 WeakPolarHBondContact O-CB 3.35Å
324	T	94.5	Very high	86.3	Confident	27 Å²	27	71.3 Å²	71.3	17%	0.166	35%	0.347	C	S	.	.			trans	-133.9	145.1	-171.3	-60	0	0	0	0	110.5	W266 D291 L292 L309 R322 Y326	W266-T324 VanDerWaalsContact CZ2-C 3.45Å; D291-T324 WeakPolarHBondContact CA-O 3.33Å; D291-T324 WeakPolarHBondContact CB-O 3.45Å; D291-T324 PolarHBondContact OD1-N 3.42Å; L292-T324 PolarHBondContact N-O 3.01Å; L292-T324 VanDerWaalsContact N-O 3.13Å; L309-T324 HydrophobicContact CD1-CG2 3.83Å; L309-T324 HydrophobicContact CG-CG2 4.16Å; R322-T324 PolarHBondContact O-N 2.99Å; R322-T324 PolarHBondContact O-OG1 3.14Å; T324-Y326 HydrophobicContact CG2-CD1 4.19Å; T324-Y326 HydrophobicContact CG2-CD2 4.22Å; T324-Y326 HydrophobicContact CG2-CE1 3.71Å; T324-Y326 HydrophobicContact CG2-CE2 3.75Å; T324-Y326 HydrophobicContact CG2-CG 4.43Å; T324-Y326 VanDerWaalsContact CG2-CZ 3.47Å
325	C	95.9	Very high	87.4	Confident	0 Å²	0	69.7 Å²	69.7	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	124.7	167.5	176.4	0	0	0	0	107.8	W266 L292 C308 L309	W266-C325 HydrophobicContact CH2-CB 3.93Å; W266-C325 HydrophobicContact CZ3-CB 3.98Å; L292-C325 HydrophobicContact CB-CB 4.32Å; C308-C325 CarbonylContact C-O 3.48Å; C308-C325 VanDerWaalsContact CA-O 3.23Å; C308-C325 WeakPolarHBondContact CA-O 3.38Å; C308-C325 HydrophobicContact CB-CB 3.85Å; C308-C325 WeakPolarHBondContact CB-SG 3.43Å; C308-C325 WeakPolarHBondContact SG-CB 3.31Å; C308-C325 CovalentContact SG-SG 2.05Å; C308-C325 PolarHBondContact SG-SG 3.5Å; L309-C325 PolarHBondContact N-O 3.23Å
326	Y	95.4	Very high	88.1	Confident	2 Å²	2	76.7 Å²	76.7	1%	0.008	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	147.7	171.8	-60.2	-81.7	0	0	0	109.6	D291 L292 L293 V294 L309 K311 M312 I314 V315 T324	D291-Y326 HydrophobicContact CB-CD2 4.36Å; D291-Y326 HydrophobicContact CB-CE2 4.36Å; L292-Y326 PolarHBondContact O-N 3.28Å; L293-Y326 HydrophobicContact CD2-CD2 4.06Å; V294-Y326 WeakPolarHBondContact CB-O 3.27Å; V294-Y326 PolarHBondContact N-O 3.46Å; L309-Y326 HydrophobicContact CB-CD1 4.1Å; L309-Y326 HydrophobicContact CB-CE1 4.39Å; L309-Y326 CarbonylContact O-C 3.47Å; L309-Y326 WeakPolarHBondContact O-CA 3.49Å; K311-Y326 WeakPolarHBondContact O-CD1 3.24Å; K311-Y326 WeakPolarHBondContact O-CE1 3.45Å; M312-Y326 HydrophobicContact CG-CG 4.27Å; I314-Y326 HydrophobicContact CB-CE1 4.36Å; V315-Y326 HydrophobicContact CG2-CD2 3.98Å; V315-Y326 HydrophobicContact CG2-CE1 4.27Å; V315-Y326 HydrophobicContact CG2-CE2 3.51Å; T324-Y326 HydrophobicContact CG2-CD1 4.19Å; T324-Y326 HydrophobicContact CG2-CD2 4.22Å; T324-Y326 HydrophobicContact CG2-CE1 3.71Å; T324-Y326 HydrophobicContact CG2-CE2 3.75Å; T324-Y326 HydrophobicContact CG2-CG 4.43Å; T324-Y326 VanDerWaalsContact CG2-CZ 3.47Å
327	Y	94.3	Very high	88.8	Confident	44 Å²	44	74 Å²	74	17%	0.173	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	147.6	170.5	75.7	-92.7	0	0	0	112.5	V294 C301 L304 C308 L309 T310	V294-Y327 CarbonylContact O-C 3.49Å; V294-Y327 WeakPolarHBondContact O-CA 3.43Å; C301-Y327 HydrophobicContact CB-CD2 3.75Å; C301-Y327 HydrophobicContact CB-CE2 3.68Å; L304-Y327 VanDerWaalsContact CD1-CB 3.43Å; L304-Y327 HydrophobicContact CD1-CD1 4.25Å; L304-Y327 HydrophobicContact CD1-CD2 4.27Å; L304-Y327 HydrophobicContact CD1-CG 3.76Å; C308-Y327 HydrophobicContact CB-CD1 3.92Å; C308-Y327 VanDerWaalsContact O-CE1 3.3Å; C308-Y327 WeakPolarHBondContact O-CE1 3.15Å; L309-Y327 PolarHBondContact O-N 3.12Å; T310-Y327 WeakPolarHBondContact CA-O 3.34Å; T310-Y327 HydrophobicContact CG2-CD1 4.48Å; T310-Y327 HydrophobicContact CG2-CD2 4.29Å; T310-Y327 HydrophobicContact CG2-CE1 3.68Å; T310-Y327 HydrophobicContact CG2-CE2 3.44Å; T310-Y327 VanDerWaalsContact CG2-CE2 3.44Å; T310-Y327 WeakPolarHBondContact CG2-OH 3.29Å
328	Q	93.2	Very high	89.6	Confident	30 Å²	30	74.8 Å²	74.8	14%	0.14	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	121.5	178.6	174.5	59.7	50.6	0	0	108.3	V294 F295 C296 M312 T330 E348 N350	V294-Q328 PolarHBondContact O-N 2.62Å; F295-Q328 WeakPolarHBondContact CA-O 3.28Å; F295-Q328 HydrophobicContact CD1-CB 3.97Å; F295-Q328 HydrophobicContact CD1-CG 4.06Å; F295-Q328 HydrophobicContact CE1-CB 4.06Å; F295-Q328 HydrophobicContact CE1-CG 4.06Å; C296-Q328 PolarHBondContact N-O 3.35Å; M312-Q328 HydrophobicContact CE-CB 3.62Å; M312-Q328 HydrophobicContact SD-CB 4.1Å; Q328-T330 PolarHBondContact O-N 3.03Å; Q328-E348 HydrophobicContact CG-CB 4.42Å; Q328-E348 HydrophobicContact CG-CG 4.17Å; Q328-N350 PolarHBondContact OE1-ND2 3.42Å
329	P	93	Very high	90.5	Very high	50 Å²	50	71.4 Å²	71.4	33%	0.325	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.1	130.4	167.6	-23.9	33.8	0	0	0	110.1	C296 P298	C296-P329 CarbonylContact O-C 3.49Å; C296-P329 VanDerWaalsContact O-CA 3.27Å; C296-P329 WeakPolarHBondContact O-CA 3.23Å; P298-P329 HydrophobicContact CG-CB 4.21Å
330	T	92.5	Very high	91.5	Very high	3 Å²	3	64.1 Å²	64.1	2%	0.018	32%	0.32	C	S	.	.			trans	-129.7	149.4	-177.1	-170.4	0	0	0	0	113.6	T245 F295 C296 Q328 A344 E348	T245-T330 HydrophobicContact CG2-CG2 4.18Å; F295-T330 HydrophobicContact CB-CG2 3.8Å; C296-T330 PolarHBondContact O-N 3.15Å; Q328-T330 PolarHBondContact O-N 3.03Å; T330-A344 HydrophobicContact CG2-CB 4.04Å; T330-A344 PolarHBondContact OG1-O 3.38Å; T330-E348 WeakPolarHBondContact CA-OE1 3.38Å; T330-E348 WeakPolarHBondContact CB-OE1 3.37Å; T330-E348 VanDerWaalsContact OG1-CG 3.29Å; T330-E348 WeakPolarHBondContact OG1-CG 3.19Å; T330-E348 PolarHBondContact OG1-OE1 2.72Å
331	R	89.6	Confident	92.5	Very high	205 Å²	205	58.3 Å²	58.3	77%	0.774	28%	0.281	S	S	*	.	P	Polyproline II helix	trans	-87	122.1	169.9	-63.8	-177.6	-175.3	175.6	1.7	110.6	N347 E348	R331-N347 PolarHBondContact O-ND2 2.92Å; R331-E348 PolarHBondContact N-OE1 3.42Å
332	Q	91.1	Very high	93	Very high	64 Å²	64	57.5 Å²	57.5	30%	0.299	28%	0.283	S	S	.	.	P	Polyproline II helix	trans	-66.9	156	170	-71.2	-176.3	25.4	0	0	111.4	N341	Q332-N341 WeakPolarHBondContact CA-OD1 3.14Å; Q332-N341 VanDerWaalsContact CB-OD1 3.24Å; Q332-N341 WeakPolarHBondContact CB-OD1 3.32Å; Q332-N341 HydrophobicContact CG-CB 4.25Å; Q332-N341 PolarHBondContact OE1-ND2 3.46Å
333	F	93	Very high	93.3	Very high	33 Å²	33	48.7 Å²	48.7	15%	0.145	25%	0.25	C	C	.	.	P	Polyproline II helix	trans	-68.5	132.8	168	-61.5	-87.8	0	0	0	109.4	H335 I340 N341 A344 V346 A437 M441	F333-H335 VanDerWaalsContact C-N 3.29Å; F333-H335 HydrophobicContact CB-CB 4.37Å; F333-H335 PolarHBondContact O-N 3.37Å; F333-I340 HydrophobicContact CB-CG1 4.34Å; F333-I340 HydrophobicContact CB-CG2 3.79Å; F333-I340 HydrophobicContact CD2-CB 4.45Å; F333-I340 HydrophobicContact CD2-CG1 3.71Å; F333-I340 HydrophobicContact CD2-CG2 4.01Å; F333-I340 HydrophobicContact CE2-CG1 4.09Å; F333-I340 HydrophobicContact CG-CG1 3.97Å; F333-I340 HydrophobicContact CG-CG2 4.19Å; F333-N341 PolarHBondContact N-OD1 3.13Å; F333-A344 HydrophobicContact CE2-CB 4.49Å; F333-V346 HydrophobicContact CZ-CG2 3.71Å; F333-A437 HydrophobicContact CE1-CB 4.49Å; F333-A437 HydrophobicContact CZ-CB 3.94Å; F333-M441 HydrophobicContact CD1-CE 4.31Å; F333-M441 HydrophobicContact CD1-SD 4.28Å; F333-M441 HydrophobicContact CE1-CE 4.48Å
334	N	92.2	Very high	93.4	Very high	176 Å²	176	47.9 Å²	47.9	94%	0.941	25%	0.245	S	C	*	.			trans	-78.9	80.3	171.1	-175.2	26.1	0	0	0	109.6
335	H	94.5	Very high	93.4	Very high	37 Å²	37	46.7 Å²	46.7	17%	0.171	24%	0.237	C	C	.	.	S	Bend	trans	-147.4	147.2	-173.5	-170.4	-93.2	0	0	0	111.5	F333 Y337 I340 M441 F444 D445	F333-H335 VanDerWaalsContact C-N 3.29Å; F333-H335 HydrophobicContact CB-CB 4.37Å; F333-H335 PolarHBondContact O-N 3.37Å; H335-Y337 VanDerWaalsContact ND1-CB 3.31Å; H335-Y337 WeakPolarHBondContact ND1-CB 3.26Å; H335-Y337 PolarHBondContact ND1-N 2.85Å; H335-Y337 PolarHBondContact O-N 3.23Å; H335-I340 HydrophobicContact CB-CG2 4.31Å; H335-M441 HydrophobicContact CB-SD 4.22Å; H335-F444 AromaticContact CE1-CD1 3.66Å; H335-D445 IonicContact CE1-OD1 3.5Å; H335-D445 IonicContact NE2-OD1 3.87Å; H335-D445 PolarHBondContact NE2-OD1 3.34Å; H335-D445 IonicContact NE2-OD2 3.88Å; H335-D445 PolarHBondContact NE2-OD2 3.25Å
336	N	92.7	Very high	93.4	Very high	148 Å²	148	47.8 Å²	47.8	79%	0.791	24%	0.244	S	C	*	.	S	Bend	trans	-67.3	-17.3	-176.1	-72.3	-30.5	0	0	0	114.1	F444	N336-F444 HydrophobicContact CB-CE1 4.07Å
337	Y	93.9	Very high	93.3	Very high	6 Å²	6	51 Å²	51	2%	0.024	26%	0.261	C	S	.	.			trans	-92.8	97.9	176.4	-178.1	-131	0	0	0	111.2	H335 N339 I340 T440 F444 P474 S476 S477	H335-Y337 VanDerWaalsContact ND1-CB 3.31Å; H335-Y337 WeakPolarHBondContact ND1-CB 3.26Å; H335-Y337 PolarHBondContact ND1-N 2.85Å; H335-Y337 PolarHBondContact O-N 3.23Å; Y337-N339 VanDerWaalsContact C-N 3.28Å; Y337-N339 HydrophobicContact CD2-CB 4.45Å; Y337-N339 HydrophobicContact CE1-CB 3.92Å; Y337-N339 HydrophobicContact CE2-CB 3.76Å; Y337-N339 PolarHBondContact O-N 3.42Å; Y337-I340 HydrophobicContact CD1-CB 4.03Å; Y337-I340 WeakPolarHBondContact O-CB 3.18Å; Y337-I340 WeakPolarHBondContact O-CG2 3.48Å; Y337-I340 PolarHBondContact O-N 3.23Å; Y337-T440 HydrophobicContact CD1-CG2 3.55Å; Y337-T440 HydrophobicContact CE1-CG2 3.31Å; Y337-F444 HydrophobicContact CD1-CD2 4.26Å; Y337-F444 AromaticContact CD2-CD2 3.38Å; Y337-F444 HydrophobicContact CD2-CD2 3.38Å; Y337-F444 AromaticContact CD2-CE2 3.32Å; Y337-F444 HydrophobicContact CD2-CE2 3.32Å; Y337-F444 HydrophobicContact CD2-CG 4.27Å; Y337-F444 HydrophobicContact CD2-CZ 4.18Å; Y337-F444 HydrophobicContact CE2-CD2 4.08Å; Y337-F444 HydrophobicContact CE2-CE2 4.18Å; Y337-F444 HydrophobicContact CG-CB 4.37Å; Y337-F444 AromaticContact CG-CD2 3.46Å; Y337-F444 HydrophobicContact CG-CD2 3.46Å; Y337-F444 VanDerWaalsContact CG-CD2 3.46Å; Y337-F444 AromaticContact CG-CE2 3.73Å; Y337-F444 HydrophobicContact CG-CE2 3.73Å; Y337-F444 AromaticContact CG-CG 3.89Å; Y337-F444 HydrophobicContact CG-CG 3.89Å; Y337-F444 HydrophobicContact CG-CZ 4.37Å; Y337-P474 VanDerWaalsContact CE2-O 3.28Å; Y337-P474 WeakPolarHBondContact CE2-O 3.31Å; Y337-P474 PolarHBondContact OH-O 2.86Å; Y337-S476 PolarHBondContact OH-N 3.05Å; Y337-S477 PolarHBondContact OH-N 2.5Å; Y337-S477 PolarHBondContact OH-OG 2.92Å
338	S	90.7	Very high	93.2	Very high	80 Å²	80	50.3 Å²	50.3	56%	0.559	26%	0.26	S	S	*	.	G	3₁₀ helix	trans	-58	-34.3	-175.7	57.3	0	0	0	0	114.7	I340 N341	S338-I340 PolarHBondContact O-N 3.42Å; S338-N341 WeakPolarHBondContact O-CB 3.23Å; S338-N341 PolarHBondContact O-N 3.15Å; S338-N341 VanDerWaalsContact O-N 3.12Å; S338-N341 PolarHBondContact O-ND2 3.26Å
339	N	92	Very high	93.1	Very high	67 Å²	67	58 Å²	58	36%	0.358	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-71.4	-11.1	-176.2	-60.3	-19.6	0	0	0	112.9	Y337 N341 A342 P474	Y337-N339 VanDerWaalsContact C-N 3.28Å; Y337-N339 HydrophobicContact CD2-CB 4.45Å; Y337-N339 HydrophobicContact CE1-CB 3.92Å; Y337-N339 HydrophobicContact CE2-CB 3.76Å; Y337-N339 PolarHBondContact O-N 3.42Å; N339-N341 PolarHBondContact O-N 3.21Å; N339-A342 WeakPolarHBondContact O-CB 3.27Å; N339-A342 PolarHBondContact O-N 3.12Å; N339-P474 PolarHBondContact ND2-O 3.36Å; N339-P474 VanDerWaalsContact ND2-O 3.17Å
340	I	94.8	Very high	92.9	Very high	0 Å²	0	58 Å²	58	0%	0	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-57.2	-30.8	168.7	-171.6	58.7	0	0	0	111.7	F333 H335 Y337 S338 A342 Y343 A437 T440 M441	F333-I340 HydrophobicContact CB-CG1 4.34Å; F333-I340 HydrophobicContact CB-CG2 3.79Å; F333-I340 HydrophobicContact CD2-CB 4.45Å; F333-I340 HydrophobicContact CD2-CG1 3.71Å; F333-I340 HydrophobicContact CD2-CG2 4.01Å; F333-I340 HydrophobicContact CE2-CG1 4.09Å; F333-I340 HydrophobicContact CG-CG1 3.97Å; F333-I340 HydrophobicContact CG-CG2 4.19Å; H335-I340 HydrophobicContact CB-CG2 4.31Å; Y337-I340 HydrophobicContact CD1-CB 4.03Å; Y337-I340 WeakPolarHBondContact O-CB 3.18Å; Y337-I340 WeakPolarHBondContact O-CG2 3.48Å; Y337-I340 PolarHBondContact O-N 3.23Å; S338-I340 PolarHBondContact O-N 3.42Å; I340-A342 PolarHBondContact O-N 2.72Å; I340-Y343 HydrophobicContact CD1-CD2 4.47Å; I340-Y343 WeakPolarHBondContact O-CB 3.39Å; I340-Y343 PolarHBondContact O-N 3.16Å; I340-A437 HydrophobicContact CD1-CB 3.87Å; I340-A437 WeakPolarHBondContact CD1-O 3.49Å; I340-T440 HydrophobicContact CD1-CG2 3.64Å; I340-M441 HydrophobicContact CD1-CG 3.89Å; I340-M441 HydrophobicContact CG1-CG 3.81Å; I340-M441 HydrophobicContact CG1-SD 4.21Å
341	N	93.4	Very high	93	Very high	11 Å²	11	58 Å²	58	6%	0.059	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-66.7	-10.6	-176.8	-69.4	-44.5	0	0	0	112.5	T245 Q332 F333 S338 N339 Y343 A344	T245-N341 WeakPolarHBondContact CB-O 3.14Å; T245-N341 WeakPolarHBondContact CG2-O 3.29Å; T245-N341 PolarHBondContact OG1-O 3.3Å; Q332-N341 WeakPolarHBondContact CA-OD1 3.14Å; Q332-N341 VanDerWaalsContact CB-OD1 3.24Å; Q332-N341 WeakPolarHBondContact CB-OD1 3.32Å; Q332-N341 HydrophobicContact CG-CB 4.25Å; Q332-N341 PolarHBondContact OE1-ND2 3.46Å; F333-N341 PolarHBondContact N-OD1 3.13Å; S338-N341 WeakPolarHBondContact O-CB 3.23Å; S338-N341 PolarHBondContact O-N 3.15Å; S338-N341 VanDerWaalsContact O-N 3.12Å; S338-N341 PolarHBondContact O-ND2 3.26Å; N339-N341 PolarHBondContact O-N 3.21Å; N341-Y343 PolarHBondContact O-N 2.79Å; N341-A344 WeakPolarHBondContact O-CB 3.36Å; N341-A344 PolarHBondContact O-N 3.03Å
342	A	93.4	Very high	93.1	Very high	23 Å²	23	55.6 Å²	55.6	19%	0.19	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-62.6	-11.2	168.5	0	0	0	0	0	113	T245 N339 I340 F345	T245-A342 PolarHBondContact OG1-O 3.3Å; N339-A342 WeakPolarHBondContact O-CB 3.27Å; N339-A342 PolarHBondContact O-N 3.12Å; I340-A342 PolarHBondContact O-N 2.72Å; A342-F345 WeakPolarHBondContact O-CE1 3.28Å
343	Y	96.1	Very high	93.2	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-105	5.7	170.1	-68.8	-77.6	0	0	0	114.8	I340 N341 F345 V346 A433 A436 A437 Q481	I340-Y343 HydrophobicContact CD1-CD2 4.47Å; I340-Y343 WeakPolarHBondContact O-CB 3.39Å; I340-Y343 PolarHBondContact O-N 3.16Å; N341-Y343 PolarHBondContact O-N 2.79Å; Y343-F345 HydrophobicContact CD1-CE1 4.16Å; Y343-F345 AromaticContact CD1-CZ 3.89Å; Y343-F345 HydrophobicContact CD1-CZ 3.89Å; Y343-F345 PolarHBondContact O-N 2.76Å; Y343-V346 WeakPolarHBondContact O-CG1 3.45Å; Y343-V346 VanDerWaalsContact O-CG2 3.28Å; Y343-V346 WeakPolarHBondContact O-CG2 3.22Å; Y343-V346 PolarHBondContact O-N 2.85Å; Y343-A433 HydrophobicContact CD1-CB 3.93Å; Y343-A433 HydrophobicContact CE1-CB 4.15Å; Y343-A436 HydrophobicContact CE1-CB 4.14Å; Y343-A436 HydrophobicContact CE2-CB 4.45Å; Y343-A437 HydrophobicContact CD2-CB 4.38Å; Y343-A437 HydrophobicContact CG-CB 4.14Å; Y343-Q481 VanDerWaalsContact OH-CD 3.31Å; Y343-Q481 WeakPolarHBondContact OH-CG 3.23Å; Y343-Q481 PolarHBondContact OH-NE2 3.1Å
344	A	94.8	Very high	93.2	Very high	0 Å²	0	54 Å²	54	0%	0	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-57.9	-24.2	-171.1	0	0	0	0	0	113.4	T245 T330 F333 N341 V346 N347	T245-A344 HydrophobicContact CG2-CB 3.77Å; T330-A344 HydrophobicContact CG2-CB 4.04Å; T330-A344 PolarHBondContact OG1-O 3.38Å; F333-A344 HydrophobicContact CE2-CB 4.49Å; N341-A344 WeakPolarHBondContact O-CB 3.36Å; N341-A344 PolarHBondContact O-N 3.03Å; A344-V346 PolarHBondContact O-N 3.45Å; A344-N347 VanDerWaalsContact O-CB 3.29Å; A344-N347 WeakPolarHBondContact O-CB 3.35Å; A344-N347 PolarHBondContact O-N 3.33Å
345	F	95	Very high	93.4	Very high	1 Å²	1	46 Å²	46	0%	0.004	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-50.4	-28.5	172.2	63.7	-103	0	0	0	114.6	L243 F295 A342 Y343 N347 E348 F351 R363 A433	L243-F345 HydrophobicContact CB-CE1 4.5Å; L243-F345 HydrophobicContact CD1-CE2 4.13Å; L243-F345 HydrophobicContact CD1-CZ 4.2Å; F295-F345 HydrophobicContact CB-CB 4Å; F295-F345 HydrophobicContact CD1-CB 3.61Å; F295-F345 HydrophobicContact CD2-CB 3.29Å; F295-F345 HydrophobicContact CD2-CG 4.34Å; F295-F345 HydrophobicContact CE1-CB 3.82Å; F295-F345 HydrophobicContact CE2-CB 3.51Å; F295-F345 HydrophobicContact CE2-CG 4.44Å; F295-F345 HydrophobicContact CG-CB 3.33Å; F295-F345 HydrophobicContact CZ-CB 3.77Å; A342-F345 WeakPolarHBondContact O-CE1 3.28Å; Y343-F345 HydrophobicContact CD1-CE1 4.16Å; Y343-F345 AromaticContact CD1-CZ 3.89Å; Y343-F345 HydrophobicContact CD1-CZ 3.89Å; Y343-F345 PolarHBondContact O-N 2.76Å; F345-N347 PolarHBondContact O-N 3.39Å; F345-E348 PolarHBondContact O-N 3.42Å; F345-F351 AromaticContact CD2-CD1 3.89Å; F345-F351 HydrophobicContact CD2-CD1 3.89Å; F345-F351 HydrophobicContact CD2-CD2 4.01Å; F345-F351 AromaticContact CD2-CE1 3.7Å; F345-F351 HydrophobicContact CD2-CE1 3.7Å; F345-F351 AromaticContact CD2-CE2 3.84Å; F345-F351 HydrophobicContact CD2-CE2 3.84Å; F345-F351 HydrophobicContact CD2-CG 4.04Å; F345-F351 AromaticContact CD2-CZ 3.68Å; F345-F351 HydrophobicContact CD2-CZ 3.68Å; F345-F351 HydrophobicContact CE2-CD1 4.47Å; F345-F351 AromaticContact CE2-CE1 3.83Å; F345-F351 HydrophobicContact CE2-CE1 3.83Å; F345-F351 HydrophobicContact CE2-CE2 4.12Å; F345-F351 AromaticContact CE2-CZ 3.63Å; F345-F351 HydrophobicContact CE2-CZ 3.63Å; F345-F351 VanDerWaalsContact O-CB 3.23Å; F345-F351 WeakPolarHBondContact O-CB 3.34Å; F345-R363 HydrophobicContact CE1-CG 4.23Å; F345-R363 HydrophobicContact CZ-CG 4.25Å; F345-A433 HydrophobicContact CE2-CB 3.72Å; F345-A433 HydrophobicContact CZ-CB 3.84Å
346	V	95.6	Very high	93.4	Very high	23 Å²	23	48.7 Å²	48.7	14%	0.139	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-68.6	-18.6	178.4	-52.5	0	0	0	0	113.1	F333 Y343 A344 E348 F351 A433	F333-V346 HydrophobicContact CZ-CG2 3.71Å; Y343-V346 WeakPolarHBondContact O-CG1 3.45Å; Y343-V346 VanDerWaalsContact O-CG2 3.28Å; Y343-V346 WeakPolarHBondContact O-CG2 3.22Å; Y343-V346 PolarHBondContact O-N 2.85Å; A344-V346 PolarHBondContact O-N 3.45Å; V346-E348 PolarHBondContact O-N 3Å; V346-F351 HydrophobicContact CG1-CE1 4.46Å; V346-A433 HydrophobicContact CG1-CB 3.6Å
347	N	92.8	Very high	93.5	Very high	70 Å²	70	45.3 Å²	45.3	37%	0.374	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-76.3	-14.6	176.7	-64.2	-28.8	0	0	0	112.2	R331 A344 F345	R331-N347 PolarHBondContact O-ND2 2.92Å; A344-N347 VanDerWaalsContact O-CB 3.29Å; A344-N347 WeakPolarHBondContact O-CB 3.35Å; A344-N347 PolarHBondContact O-N 3.33Å; F345-N347 PolarHBondContact O-N 3.39Å
348	E	92.9	Very high	93.6	Very high	30 Å²	30	45.2 Å²	45.2	14%	0.14	23%	0.227	C	C	.	.			trans	-94.4	127.9	-174.3	-57.7	-48.4	134.4	0	0	112.2	F295 Q328 T330 R331 F345 V346 N350 F351	F295-E348 HydrophobicContact CD1-CB 4.3Å; F295-E348 HydrophobicContact CD1-CG 3.86Å; F295-E348 HydrophobicContact CE1-CB 4Å; F295-E348 HydrophobicContact CE1-CG 4.08Å; Q328-E348 HydrophobicContact CG-CB 4.42Å; Q328-E348 HydrophobicContact CG-CG 4.17Å; T330-E348 WeakPolarHBondContact CA-OE1 3.38Å; T330-E348 WeakPolarHBondContact CB-OE1 3.37Å; T330-E348 VanDerWaalsContact OG1-CG 3.29Å; T330-E348 WeakPolarHBondContact OG1-CG 3.19Å; T330-E348 PolarHBondContact OG1-OE1 2.72Å; R331-E348 PolarHBondContact N-OE1 3.42Å; F345-E348 PolarHBondContact O-N 3.42Å; V346-E348 PolarHBondContact O-N 3Å; E348-N350 PolarHBondContact O-N 2.68Å; E348-F351 HydrophobicContact CB-CB 4.48Å; E348-F351 WeakPolarHBondContact O-CB 3.27Å; E348-F351 PolarHBondContact O-N 3.4Å; E348-F351 VanDerWaalsContact O-N 3.1Å
349	R	90.6	Very high	93.8	Very high	192 Å²	192	45.2 Å²	45.2	73%	0.725	22%	0.221	S	C	*	.	H	α-helix	trans	-56.8	-41.1	174	-179.3	179.2	171.5	157.9	5.3	111.7	F351 K352 E353	R349-F351 PolarHBondContact O-N 2.99Å; R349-K352 PolarHBondContact O-N 2.94Å; R349-K352 VanDerWaalsContact O-N 3.08Å; R349-E353 IonicContact CZ-OE1 3.21Å; R349-E353 IonicContact NE-OE1 3.71Å; R349-E353 PolarHBondContact NE-OE1 3.47Å; R349-E353 IonicContact NH2-OE1 3.42Å; R349-E353 PolarHBondContact O-N 3.41Å
350	N	89.9	Confident	94.2	Very high	48 Å²	48	44.4 Å²	44.4	26%	0.257	21%	0.213	S	C	.	.	H	α-helix	trans	-60	-29.5	179.8	-71.1	3	0	0	0	112.5	Q328 E348 E353 V354	Q328-N350 PolarHBondContact OE1-ND2 3.42Å; E348-N350 PolarHBondContact O-N 2.68Å; N350-E353 PolarHBondContact O-N 3.37Å; N350-V354 WeakPolarHBondContact O-CG1 3.37Å; N350-V354 PolarHBondContact O-N 3.27Å; N350-V354 VanDerWaalsContact O-N 3.12Å
351	F	93.5	Very high	94.3	Very high	5 Å²	5	44.4 Å²	44.4	2%	0.022	21%	0.213	C	C	.	.	H	α-helix	trans	-60.8	-48.9	174.5	173.3	-117.6	0	0	0	111	L243 F295 F345 V346 E348 R349 E353 V354 V355 F361 A430	L243-F351 HydrophobicContact CD1-CE2 3.79Å; L243-F351 HydrophobicContact CD1-CZ 4.17Å; L243-F351 HydrophobicContact CD2-CD2 4.12Å; L243-F351 HydrophobicContact CD2-CE2 3.72Å; L243-F351 HydrophobicContact CG-CE2 4.44Å; F295-F351 HydrophobicContact CE1-CB 4.05Å; F295-F351 HydrophobicContact CE2-CD2 4.5Å; F295-F351 HydrophobicContact CZ-CB 3.91Å; F295-F351 HydrophobicContact CZ-CD2 4.02Å; F295-F351 HydrophobicContact CZ-CG 4.34Å; F345-F351 AromaticContact CD2-CD1 3.89Å; F345-F351 HydrophobicContact CD2-CD1 3.89Å; F345-F351 HydrophobicContact CD2-CD2 4.01Å; F345-F351 AromaticContact CD2-CE1 3.7Å; F345-F351 HydrophobicContact CD2-CE1 3.7Å; F345-F351 AromaticContact CD2-CE2 3.84Å; F345-F351 HydrophobicContact CD2-CE2 3.84Å; F345-F351 HydrophobicContact CD2-CG 4.04Å; F345-F351 AromaticContact CD2-CZ 3.68Å; F345-F351 HydrophobicContact CD2-CZ 3.68Å; F345-F351 HydrophobicContact CE2-CD1 4.47Å; F345-F351 AromaticContact CE2-CE1 3.83Å; F345-F351 HydrophobicContact CE2-CE1 3.83Å; F345-F351 HydrophobicContact CE2-CE2 4.12Å; F345-F351 AromaticContact CE2-CZ 3.63Å; F345-F351 HydrophobicContact CE2-CZ 3.63Å; F345-F351 VanDerWaalsContact O-CB 3.23Å; F345-F351 WeakPolarHBondContact O-CB 3.34Å; V346-F351 HydrophobicContact CG1-CE1 4.46Å; E348-F351 HydrophobicContact CB-CB 4.48Å; E348-F351 WeakPolarHBondContact O-CB 3.27Å; E348-F351 PolarHBondContact O-N 3.4Å; E348-F351 VanDerWaalsContact O-N 3.1Å; R349-F351 PolarHBondContact O-N 2.99Å; F351-E353 PolarHBondContact O-N 3.12Å; F351-V354 WeakPolarHBondContact O-CG2 3.43Å; F351-V354 PolarHBondContact O-N 3.08Å; F351-V355 HydrophobicContact CE2-CG2 4.49Å; F351-V355 HydrophobicContact CZ-CG2 4.41Å; F351-V355 VanDerWaalsContact O-CG2 3.29Å; F351-V355 WeakPolarHBondContact O-CG2 3.36Å; F351-V355 PolarHBondContact O-N 2.84Å; F351-F361 HydrophobicContact CE2-CD2 4.32Å; F351-F361 AromaticContact CE2-CE2 3.76Å; F351-F361 HydrophobicContact CE2-CE2 3.76Å; F351-F361 HydrophobicContact CE2-CZ 4.08Å; F351-F361 HydrophobicContact CZ-CE2 4.14Å; F351-A430 HydrophobicContact CE1-CB 3.96Å; F351-A430 HydrophobicContact CZ-CB 3.86Å
352	K	92.4	Very high	94.6	Very high	154 Å²	154	43.9 Å²	43.9	67%	0.67	21%	0.211	S	C	*	.	H	α-helix	trans	-61	-35.2	178	-65.9	-177.5	179	179.2	0	112.4	R349	R349-K352 PolarHBondContact O-N 2.94Å; R349-K352 VanDerWaalsContact O-N 3.08Å
353	E	92.7	Very high	94.8	Very high	60 Å²	60	43 Å²	43	28%	0.28	20%	0.202	S	C	.	.	H	α-helix	trans	-73	-27.1	-179.1	-65.5	-177.3	-171.6	0	0	113.4	K316 R349 N350 F351 Y357	K316-E353 IonicContact NZ-OE2 3.37Å; K316-E353 PolarHBondContact NZ-OE2 3.28Å; R349-E353 IonicContact CZ-OE1 3.21Å; R349-E353 IonicContact NE-OE1 3.71Å; R349-E353 PolarHBondContact NE-OE1 3.47Å; R349-E353 IonicContact NH2-OE1 3.42Å; R349-E353 PolarHBondContact O-N 3.41Å; N350-E353 PolarHBondContact O-N 3.37Å; F351-E353 PolarHBondContact O-N 3.12Å; E353-Y357 WeakPolarHBondContact O-CD2 3.33Å; E353-Y357 VanDerWaalsContact O-CE2 3.3Å; E353-Y357 WeakPolarHBondContact O-CE2 3.28Å
354	V	93.5	Very high	94.9	Very high	2 Å²	2	43 Å²	43	1%	0.012	20%	0.203	C	C	.	.	H	α-helix	trans	-86.6	-17.3	178.4	-62	0	0	0	0	113.7	M312 N350 F351 P356 Y357 Y358	M312-V354 HydrophobicContact CB-CG1 4.07Å; N350-V354 WeakPolarHBondContact O-CG1 3.37Å; N350-V354 PolarHBondContact O-N 3.27Å; N350-V354 VanDerWaalsContact O-N 3.12Å; F351-V354 WeakPolarHBondContact O-CG2 3.43Å; F351-V354 PolarHBondContact O-N 3.08Å; V354-P356 VanDerWaalsContact C-CD 3.47Å; V354-Y357 PolarHBondContact O-N 2.85Å; V354-Y358 HydrophobicContact CB-CE2 4.34Å
355	V	95.7	Very high	94.8	Very high	9 Å²	9	44.7 Å²	44.7	6%	0.055	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-49.5	-48.2	-177.8	174.8	0	0	0	0	112.8	F351 Y357 Y358 F361 S426 N427 A430	F351-V355 HydrophobicContact CE2-CG2 4.49Å; F351-V355 HydrophobicContact CZ-CG2 4.41Å; F351-V355 VanDerWaalsContact O-CG2 3.29Å; F351-V355 WeakPolarHBondContact O-CG2 3.36Å; F351-V355 PolarHBondContact O-N 2.84Å; V355-Y357 PolarHBondContact O-N 3.38Å; V355-Y357 VanDerWaalsContact O-N 3.08Å; V355-Y358 PolarHBondContact O-N 2.75Å; V355-F361 HydrophobicContact CB-CE2 4.39Å; V355-F361 HydrophobicContact CG1-CE2 4.43Å; V355-F361 HydrophobicContact CG2-CE2 3.91Å; V355-F361 HydrophobicContact CG2-CZ 4.31Å; V355-S426 PolarHBondContact O-OG 3.49Å; V355-N427 HydrophobicContact CG1-CB 4.47Å; V355-N427 WeakPolarHBondContact CG1-OD1 3.4Å; V355-A430 HydrophobicContact CG1-CB 4.13Å; V355-A430 HydrophobicContact CG2-CB 3.64Å
356	P	94.9	Very high	94.7	Very high	94 Å²	94	45.4 Å²	45.4	61%	0.61	22%	0.215	S	C	*	.	G	3₁₀ helix	trans	-66.8	-12.5	-176.9	-20.9	35.1	0	0	0	114.9	V354	V354-P356 VanDerWaalsContact C-CD 3.47Å
357	Y	94.1	Very high	94.7	Very high	76 Å²	76	45.4 Å²	45.4	30%	0.298	21%	0.214	S	C	.	.	G	3₁₀ helix	trans	-98.3	-1	-174.9	-60.1	-80.4	0	0	0	113.6	K239 K316 E353 V354 V355	K239-Y357 WeakPolarHBondContact CD-O 3.44Å; K316-Y357 VanDerWaalsContact CA-CE1 3.44Å; K316-Y357 HydrophobicContact CB-CE1 3.95Å; K316-Y357 HydrophobicContact CB-CE2 3.97Å; K316-Y357 HydrophobicContact CD-CE2 4.41Å; K316-Y357 HydrophobicContact CG-CD2 4.14Å; K316-Y357 HydrophobicContact CG-CE2 3.61Å; K316-Y357 WeakPolarHBondContact O-CE1 3.28Å; E353-Y357 WeakPolarHBondContact O-CD2 3.33Å; E353-Y357 VanDerWaalsContact O-CE2 3.3Å; E353-Y357 WeakPolarHBondContact O-CE2 3.28Å; V354-Y357 PolarHBondContact O-N 2.85Å; V355-Y357 PolarHBondContact O-N 3.38Å; V355-Y357 VanDerWaalsContact O-N 3.08Å
358	Y	96	Very high	94.9	Very high	4 Å²	4	42 Å²	42	2%	0.016	20%	0.196	C	C	.	.			trans	-118.4	139.8	172.9	-70.8	-77.2	0	0	0	109.8	K239 I240 D291 L293 V315 V354 V355 F361 S426	K239-Y358 HydrophobicContact CB-CD1 4.05Å; I240-Y358 VanDerWaalsContact C-CD1 3.44Å; D291-Y358 HydrophobicContact CB-CE1 4.15Å; D291-Y358 WeakPolarHBondContact CB-OH 3.14Å; D291-Y358 WeakPolarHBondContact OD2-CE1 3.44Å; D291-Y358 PolarHBondContact OD2-OH 3.27Å; L293-Y358 HydrophobicContact CD1-CD2 4.27Å; L293-Y358 HydrophobicContact CD1-CE2 3.68Å; L293-Y358 HydrophobicContact CD2-CE2 4.26Å; L293-Y358 HydrophobicContact CG-CE2 4.47Å; V315-Y358 HydrophobicContact CG1-CD2 4.3Å; V315-Y358 HydrophobicContact CG1-CE2 3.49Å; V315-Y358 VanDerWaalsContact CG1-CE2 3.49Å; V354-Y358 HydrophobicContact CB-CE2 4.34Å; V355-Y358 PolarHBondContact O-N 2.75Å; Y358-F361 AromaticContact CD2-CE1 3.48Å; Y358-F361 HydrophobicContact CD2-CE1 3.48Å; Y358-F361 VanDerWaalsContact CD2-CE1 3.48Å; Y358-F361 AromaticContact CD2-CZ 3.98Å; Y358-F361 HydrophobicContact CD2-CZ 3.98Å; Y358-F361 HydrophobicContact CE2-CE1 4.24Å; Y358-F361 HydrophobicContact CG-CD1 4.36Å; Y358-F361 AromaticContact CG-CE1 3.69Å; Y358-F361 HydrophobicContact CG-CE1 3.69Å; Y358-F361 HydrophobicContact CG-CZ 4.41Å; Y358-S426 WeakPolarHBondContact O-CB 3.33Å; Y358-S426 PolarHBondContact O-OG 3.12Å
359	D	96.8	Very high	95.1	Very high	81 Å²	81	40.6 Å²	40.6	43%	0.433	19%	0.19	S	C	.	.	S	Bend	trans	-75.5	-43.5	172.2	-56	-62	0	0	0	109.6	S238 K239 E425 S426	S238-D359 WeakPolarHBondContact CA-OD2 3.39Å; K239-D359 PolarHBondContact N-OD2 3.31Å; K239-D359 PolarHBondContact O-N 2.65Å; D359-E425 WeakPolarHBondContact O-CA 3.06Å; D359-S426 PolarHBondContact O-N 3.18Å
360	Y	98.6	Very high	95.4	Very high	50 Å²	50	31.5 Å²	31.5	20%	0.196	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	149.1	-176.6	-56	-77.5	0	0	0	112.1	K239 I240 G241 M379 F423 G424 E425	K239-Y360 PolarHBondContact O-N 3.36Å; I240-Y360 WeakPolarHBondContact CA-O 3.42Å; G241-Y360 PolarHBondContact N-O 3.5Å; Y360-M379 HydrophobicContact CE1-CB 3.73Å; Y360-M379 HydrophobicContact CE1-CG 3.85Å; Y360-M379 HydrophobicContact CE2-CB 4.39Å; Y360-F423 HydrophobicContact CD1-CE1 4.01Å; Y360-F423 HydrophobicContact CD1-CZ 4.4Å; Y360-F423 HydrophobicContact CD2-CE1 4.44Å; Y360-F423 HydrophobicContact CD2-CZ 4.17Å; Y360-F423 AromaticContact CG-CE1 3.91Å; Y360-F423 HydrophobicContact CG-CE1 3.91Å; Y360-F423 AromaticContact CG-CZ 3.82Å; Y360-F423 HydrophobicContact CG-CZ 3.82Å; Y360-G424 CarbonylContact C-O 3.49Å; Y360-G424 VanDerWaalsContact CA-O 3.24Å; Y360-G424 WeakPolarHBondContact CA-O 3.22Å; Y360-G424 WeakPolarHBondContact CB-O 3.26Å; Y360-E425 HydrophobicContact CE1-CG 4.23Å
361	F	98.7	Very high	95.7	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	138	163.9	-72.4	-42.3	0	0	0	111.1	G241 L243 L293 F351 V355 Y358 F423 G424 S426 I429	G241-F361 VanDerWaalsContact O-CA 3.31Å; G241-F361 WeakPolarHBondContact O-CA 3.4Å; G241-F361 WeakPolarHBondContact O-CD1 3.27Å; L243-F361 HydrophobicContact CD1-CB 3.76Å; L243-F361 HydrophobicContact CD1-CD1 4.16Å; L243-F361 HydrophobicContact CD1-CD2 3.87Å; L243-F361 HydrophobicContact CD1-CE2 4.5Å; L243-F361 HydrophobicContact CD1-CG 3.69Å; L243-F361 HydrophobicContact CD2-CD1 4.16Å; L243-F361 HydrophobicContact CD2-CE1 4.2Å; L243-F361 HydrophobicContact CD2-CG 4.49Å; L243-F361 HydrophobicContact CG-CB 4.2Å; L243-F361 HydrophobicContact CG-CD1 4.03Å; L243-F361 HydrophobicContact CG-CG 4.06Å; L293-F361 HydrophobicContact CD1-CD1 4.41Å; L293-F361 HydrophobicContact CD1-CE1 3.77Å; F351-F361 HydrophobicContact CE2-CD2 4.32Å; F351-F361 AromaticContact CE2-CE2 3.76Å; F351-F361 HydrophobicContact CE2-CE2 3.76Å; F351-F361 HydrophobicContact CE2-CZ 4.08Å; F351-F361 HydrophobicContact CZ-CE2 4.14Å; V355-F361 HydrophobicContact CB-CE2 4.39Å; V355-F361 HydrophobicContact CG1-CE2 4.43Å; V355-F361 HydrophobicContact CG2-CE2 3.91Å; V355-F361 HydrophobicContact CG2-CZ 4.31Å; Y358-F361 AromaticContact CD2-CE1 3.48Å; Y358-F361 HydrophobicContact CD2-CE1 3.48Å; Y358-F361 VanDerWaalsContact CD2-CE1 3.48Å; Y358-F361 AromaticContact CD2-CZ 3.98Å; Y358-F361 HydrophobicContact CD2-CZ 3.98Å; Y358-F361 HydrophobicContact CE2-CE1 4.24Å; Y358-F361 HydrophobicContact CG-CD1 4.36Å; Y358-F361 AromaticContact CG-CE1 3.69Å; Y358-F361 HydrophobicContact CG-CE1 3.69Å; Y358-F361 HydrophobicContact CG-CZ 4.41Å; F361-F423 WeakPolarHBondContact O-CA 3.24Å; F361-G424 PolarHBondContact N-O 3.35Å; F361-G424 PolarHBondContact O-N 2.78Å; F361-G424 VanDerWaalsContact O-N 3.13Å; F361-S426 VanDerWaalsContact CD2-CA 3.47Å; F361-S426 WeakPolarHBondContact CD2-O 3.18Å; F361-I429 HydrophobicContact CB-CB 4.09Å; F361-I429 HydrophobicContact CB-CG1 4.18Å; F361-I429 HydrophobicContact CB-CG2 3.97Å; F361-I429 HydrophobicContact CD2-CB 4.25Å; F361-I429 HydrophobicContact CD2-CG2 4.31Å
362	L	98.6	Very high	95.6	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	98.5	163.4	179.5	65.5	0	0	0	107.7	G241 V242 L243 L370 I374 T421 W422 F423 L502	G241-L362 PolarHBondContact O-N 3.14Å; V242-L362 CarbonylContact C-O 3.47Å; V242-L362 WeakPolarHBondContact CA-O 3.49Å; V242-L362 HydrophobicContact CG1-CD2 4.19Å; V242-L362 HydrophobicContact CG1-CG 4.49Å; V242-L362 HydrophobicContact CG2-CB 4.28Å; V242-L362 HydrophobicContact CG2-CD2 4.15Å; L243-L362 PolarHBondContact N-O 3.5Å; L362-L370 HydrophobicContact CD2-CD2 3.53Å; L362-I374 HydrophobicContact CD2-CD1 3.98Å; L362-T421 HydrophobicContact CD1-CG2 3.45Å; L362-T421 VanDerWaalsContact CD1-CG2 3.45Å; L362-T421 HydrophobicContact CG-CG2 4.42Å; L362-W422 CarbonylContact C-O 3.45Å; L362-W422 WeakPolarHBondContact CA-O 3.16Å; L362-F423 HydrophobicContact CB-CD2 4Å; L362-F423 HydrophobicContact CD1-CB 3.97Å; L362-F423 HydrophobicContact CD1-CD2 4.04Å; L362-L502 HydrophobicContact CD1-CD2 4Å
363	R	97.7	Very high	95.6	Very high	3 Å²	3	23.3 Å²	23.3	1%	0.011	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	123.6	170	-177.1	-89	160.2	-151	-15	108.2	F345 D365 S420 T421 W422 I429	F345-R363 HydrophobicContact CE1-CG 4.23Å; F345-R363 HydrophobicContact CZ-CG 4.25Å; R363-D365 IonicContact CZ-OD1 2.68Å; R363-D365 VanDerWaalsContact CZ-OD1 3.25Å; R363-D365 IonicContact NH1-OD1 3.92Å; R363-D365 PolarHBondContact NH1-OD1 2.98Å; R363-D365 IonicContact NH1-OD2 3.76Å; R363-D365 IonicContact NH2-OD1 3.74Å; R363-D365 PolarHBondContact NH2-OD1 3.24Å; R363-S420 PolarHBondContact NH1-O 3.42Å; R363-T421 VanDerWaalsContact O-CA 3.27Å; R363-T421 WeakPolarHBondContact O-CA 3.46Å; R363-T421 WeakPolarHBondContact O-CG2 3.46Å; R363-W422 HydrophobicContact CB-CB 4.35Å; R363-W422 PolarHBondContact N-O 2.56Å; R363-W422 PolarHBondContact O-N 3.33Å; R363-I429 HydrophobicContact CB-CG2 4.41Å
364	T	97.2	Very high	95.8	Very high	2 Å²	2	20.5 Å²	20.5	1%	0.012	11%	0.107	C	C	.	.			trans	-141.6	163.3	-177.1	-179.1	0	0	0	0	112.2	V242 L243 M262 H517	V242-T364 HydrophobicContact CG1-CG2 3.72Å; L243-T364 PolarHBondContact O-N 3.26Å; L243-T364 VanDerWaalsContact O-N 3.13Å; M262-T364 HydrophobicContact CE-CG2 3.53Å; T364-H517 PolarHBondContact OG1-CE1 3.19Å; T364-H517 PolarHBondContact OG1-NE2 3.32Å
365	D	93.9	Very high	95.7	Very high	35 Å²	35	20.4 Å²	20.4	19%	0.187	11%	0.107	C	C	.	.			trans	-81.9	160.7	168.9	-62	-33.3	0	0	0	110.9	R363 D367 S420	R363-D365 IonicContact CZ-OD1 2.68Å; R363-D365 VanDerWaalsContact CZ-OD1 3.25Å; R363-D365 IonicContact NH1-OD1 3.92Å; R363-D365 PolarHBondContact NH1-OD1 2.98Å; R363-D365 IonicContact NH1-OD2 3.76Å; R363-D365 IonicContact NH2-OD1 3.74Å; R363-D365 PolarHBondContact NH2-OD1 3.24Å; D365-D367 VanDerWaalsContact C-N 3.25Å; D365-D367 WeakPolarHBondContact CB-OD1 3.24Å; D365-D367 PolarHBondContact O-N 2.99Å; D365-S420 VanDerWaalsContact OD2-CB 3.25Å; D365-S420 WeakPolarHBondContact OD2-CB 3.46Å; D365-S420 PolarHBondContact OD2-OG 2.98Å
366	I	93.1	Very high	95.5	Very high	16 Å²	16	21.5 Å²	21.5	8%	0.082	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-23.6	-178.8	-166.2	-168.8	0	0	0	112.9	L246 Y254 Q257 F258 A368	L246-I366 HydrophobicContact CD2-CD1 3.14Å; L246-I366 HydrophobicContact CD2-CG1 3.6Å; Y254-I366 HydrophobicContact CD1-CD1 3.88Å; Y254-I366 HydrophobicContact CD1-CG2 3.95Å; Y254-I366 HydrophobicContact CE1-CG2 4.23Å; Y254-I366 HydrophobicContact CG-CD1 4.34Å; Y254-I366 WeakPolarHBondContact O-CD1 3.28Å; Q257-I366 HydrophobicContact CB-CD1 4.44Å; Q257-I366 HydrophobicContact CG-CD1 4.48Å; Q257-I366 HydrophobicContact CG-CG1 4.46Å; F258-I366 HydrophobicContact CB-CD1 3.99Å; F258-I366 HydrophobicContact CB-CG1 4.11Å; I366-A368 PolarHBondContact O-N 2.83Å; I366-A368 VanDerWaalsContact O-N 3.13Å
367	D	94.1	Very high	95.4	Very high	22 Å²	22	18.2 Å²	18.2	12%	0.118	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	39.9	-176.3	63.1	-17.3	0	0	0	112.7	D365 H519 A520 K529	D365-D367 VanDerWaalsContact C-N 3.25Å; D365-D367 WeakPolarHBondContact CB-OD1 3.24Å; D365-D367 PolarHBondContact O-N 2.99Å; D367-H519 PolarHBondContact O-CD2 3.02Å; D367-H519 IonicContact OD1-CD2 3.28Å; D367-H519 PolarHBondContact OD1-CD2 2.91Å; D367-H519 IonicContact OD1-NE2 3.72Å; D367-H519 PolarHBondContact OD1-NE2 2.68Å; D367-H519 IonicContact OD2-NE2 2.84Å; D367-H519 PolarHBondContact OD2-NE2 2.86Å; D367-A520 WeakPolarHBondContact O-CB 3.49Å; D367-A520 PolarHBondContact O-N 3.45Å; D367-K529 HydrophobicContact CB-CD 4.09Å; D367-K529 IonicContact OD2-NZ 3.87Å; D367-K529 PolarHBondContact OD2-NZ 2.66Å
368	A	96.9	Very high	95.3	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	163.6	-176.3	0	0	0	0	0	113.5	F261 M262 I366 H517 V518	F261-A368 WeakPolarHBondContact CB-O 3.21Å; M262-A368 HydrophobicContact CE-CB 3.95Å; M262-A368 PolarHBondContact N-O 3.03Å; I366-A368 PolarHBondContact O-N 2.83Å; I366-A368 VanDerWaalsContact O-N 3.13Å; A368-H517 WeakPolarHBondContact CB-CE1 3.38Å; A368-H517 WeakPolarHBondContact CB-NE2 3.44Å; A368-V518 CarbonylContact C-O 3.56Å; A368-V518 WeakPolarHBondContact CA-O 3.21Å; A368-V518 VanDerWaalsContact CB-O 3.31Å; A368-V518 WeakPolarHBondContact CB-O 3.29Å
369	F	98	Very high	95.3	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	141.6	177.5	-57	-102.1	0	0	0	110.1	F261 V518 F527 Y566 C567 I570 A571	F261-F369 HydrophobicContact CB-CD1 4.12Å; F261-F369 HydrophobicContact CB-CE1 3.79Å; F261-F369 HydrophobicContact CB-CE2 4.17Å; F261-F369 HydrophobicContact CB-CG 4.47Å; F261-F369 HydrophobicContact CB-CZ 3.81Å; F261-F369 AromaticContact CD1-CE1 3.7Å; F261-F369 HydrophobicContact CD1-CE1 3.7Å; F261-F369 HydrophobicContact CD1-CE2 4.17Å; F261-F369 AromaticContact CD1-CZ 3.3Å; F261-F369 HydrophobicContact CD1-CZ 3.3Å; F261-F369 AromaticContact CD2-CE2 3.84Å; F261-F369 HydrophobicContact CD2-CE2 3.84Å; F261-F369 AromaticContact CD2-CZ 3.83Å; F261-F369 HydrophobicContact CD2-CZ 3.83Å; F261-F369 AromaticContact CE1-CZ 3.81Å; F261-F369 HydrophobicContact CE1-CZ 3.81Å; F261-F369 HydrophobicContact CE2-CE2 4.26Å; F261-F369 HydrophobicContact CE2-CZ 4.24Å; F261-F369 AromaticContact CG-CE1 3.81Å; F261-F369 HydrophobicContact CG-CE1 3.81Å; F261-F369 AromaticContact CG-CE2 3.81Å; F261-F369 HydrophobicContact CG-CE2 3.81Å; F261-F369 AromaticContact CG-CZ 3.36Å; F261-F369 HydrophobicContact CG-CZ 3.36Å; F261-F369 HydrophobicContact CZ-CZ 4.25Å; F369-V518 HydrophobicContact CB-CB 4.28Å; F369-V518 PolarHBondContact N-O 3.21Å; F369-V518 PolarHBondContact O-N 2.95Å; F369-F527 HydrophobicContact CE2-CD1 4.4Å; F369-F527 AromaticContact CE2-CE1 3.65Å; F369-F527 HydrophobicContact CE2-CE1 3.65Å; F369-F527 HydrophobicContact CE2-CZ 4.02Å; F369-F527 AromaticContact CZ-CE1 3.68Å; F369-F527 HydrophobicContact CZ-CE1 3.68Å; F369-F527 HydrophobicContact CZ-CE2 4.33Å; F369-F527 AromaticContact CZ-CZ 3.52Å; F369-F527 HydrophobicContact CZ-CZ 3.52Å; F369-Y566 HydrophobicContact CB-CE1 4.28Å; F369-C567 HydrophobicContact CE1-CB 4.45Å; F369-C567 HydrophobicContact CE2-CB 4.08Å; F369-C567 HydrophobicContact CZ-CB 4.05Å; F369-I570 HydrophobicContact CD1-CB 4.06Å; F369-I570 HydrophobicContact CD1-CG2 3.71Å; F369-I570 HydrophobicContact CE1-CB 4.1Å; F369-I570 HydrophobicContact CE1-CG2 3.87Å; F369-A571 HydrophobicContact CE1-CB 4.42Å; F369-A571 HydrophobicContact CZ-CB 4.49Å
370	L	97.8	Very high	95.2	Very high	1 Å²	1	19 Å²	19	1%	0.005	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	147.7	166.2	-60.2	179.3	0	0	0	110.1	V242 M262 S265 W266 V290 L292 L362 I374 Y566	V242-L370 HydrophobicContact CG1-CD2 4.48Å; V242-L370 HydrophobicContact CG2-CD1 4.04Å; V242-L370 HydrophobicContact CG2-CD2 4.47Å; M262-L370 HydrophobicContact SD-CD1 4.02Å; M262-L370 HydrophobicContact SD-CD2 4.14Å; M262-L370 HydrophobicContact SD-CG 3.72Å; S265-L370 WeakPolarHBondContact CB-O 3.38Å; S265-L370 PolarHBondContact OG-N 3.11Å; W266-L370 HydrophobicContact CB-CD1 4.03Å; V290-L370 HydrophobicContact CG1-CD1 4.5Å; L292-L370 HydrophobicContact CD2-CD1 4.14Å; L362-L370 HydrophobicContact CD2-CD2 3.53Å; L370-I374 HydrophobicContact CD2-CD1 4.1Å; L370-Y566 WeakPolarHBondContact O-CE1 3.33Å; L370-Y566 PolarHBondContact O-OH 3.01Å
371	S	95.2	Very high	94.9	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.132	C	C	.	.			trans	-103.1	165.2	168.7	79.5	0	0	0	0	110.9	V269 T373 I374 H515 L516	V269-S371 VanDerWaalsContact CG2-C 3.44Å; V269-S371 WeakPolarHBondContact CG2-O 3.36Å; S371-T373 PolarHBondContact O-N 3.05Å; S371-T373 WeakPolarHBondContact OG-CB 3.24Å; S371-T373 PolarHBondContact OG-N 2.98Å; S371-T373 VanDerWaalsContact OG-N 3.16Å; S371-T373 PolarHBondContact OG-OG1 3.36Å; S371-I374 WeakPolarHBondContact O-CG2 3.27Å; S371-I374 PolarHBondContact O-N 3.38Å; S371-H515 WeakPolarHBondContact CB-O 3.5Å; S371-H515 PolarHBondContact OG-O 3.48Å; S371-L516 PolarHBondContact N-O 3.33Å; S371-L516 VanDerWaalsContact N-O 3.14Å; S371-L516 WeakPolarHBondContact OG-CA 3.44Å; S371-L516 PolarHBondContact OG-O 2.86Å; S371-L516 VanDerWaalsContact OG-O 3.13Å
372	P	92.4	Very high	94.7	Very high	2 Å²	2	33 Å²	33	1%	0.013	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	-64.8	-17.9	172.3	-22.8	34.3	0	0	0	114.8	V269 V276 I374 L375 T558	V269-P372 HydrophobicContact CG2-CB 4.44Å; V269-P372 HydrophobicContact CG2-CG 4.13Å; V276-P372 HydrophobicContact CG2-CB 3.6Å; P372-I374 PolarHBondContact O-N 2.67Å; P372-I374 VanDerWaalsContact O-N 3.12Å; P372-L375 WeakPolarHBondContact O-CB 3.5Å; P372-L375 PolarHBondContact O-N 3.07Å; P372-T558 HydrophobicContact CG-CG2 3.43Å; P372-T558 VanDerWaalsContact CG-CG2 3.43Å
373	T	92.3	Very high	94.6	Very high	33 Å²	33	33.9 Å²	33.9	20%	0.202	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-58.8	-25.7	179.4	-51.5	0	0	0	0	111.9	S371 L375 N376 F377 V513 H515	S371-T373 PolarHBondContact O-N 3.05Å; S371-T373 WeakPolarHBondContact OG-CB 3.24Å; S371-T373 PolarHBondContact OG-N 2.98Å; S371-T373 VanDerWaalsContact OG-N 3.16Å; S371-T373 PolarHBondContact OG-OG1 3.36Å; T373-L375 PolarHBondContact O-N 3.06Å; T373-L375 VanDerWaalsContact O-N 3.14Å; T373-N376 PolarHBondContact O-N 3.1Å; T373-F377 WeakPolarHBondContact O-CB 3.16Å; T373-F377 PolarHBondContact O-N 2.71Å; T373-V513 WeakPolarHBondContact OG1-CA 2.91Å; T373-V513 PolarHBondContact OG1-O 3.49Å; T373-H515 WeakPolarHBondContact CB-O 3.38Å; T373-H515 PolarHBondContact OG1-O 3.25Å; T373-H515 VanDerWaalsContact OG1-O 3.05Å
374	I	95.3	Very high	94.5	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-59.3	-24.5	175.1	-162.3	163.8	0	0	0	113.8	I240 V242 V269 N288 V290 L362 L370 S371 P372 N376 L516	I240-I374 HydrophobicContact CD1-CG1 4.18Å; V242-I374 HydrophobicContact CG2-CD1 4.5Å; V269-I374 HydrophobicContact CG1-CG2 4.06Å; N288-I374 PolarHBondContact ND2-O 2.83Å; V290-I374 HydrophobicContact CG1-CD1 3.88Å; V290-I374 HydrophobicContact CG1-CG1 4.39Å; V290-I374 HydrophobicContact CG2-CD1 4.43Å; V290-I374 HydrophobicContact CG2-CG1 4.04Å; V290-I374 HydrophobicContact CG2-CG2 4.16Å; L362-I374 HydrophobicContact CD2-CD1 3.98Å; L370-I374 HydrophobicContact CD2-CD1 4.1Å; S371-I374 WeakPolarHBondContact O-CG2 3.27Å; S371-I374 PolarHBondContact O-N 3.38Å; P372-I374 PolarHBondContact O-N 2.67Å; P372-I374 VanDerWaalsContact O-N 3.12Å; I374-N376 VanDerWaalsContact C-N 3.35Å; I374-N376 PolarHBondContact O-N 3.14Å; I374-L516 HydrophobicContact CB-CD1 3.53Å; I374-L516 HydrophobicContact CD1-CD1 4.48Å; I374-L516 HydrophobicContact CG1-CD1 3.82Å
375	L	93.2	Very high	94.6	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-70.5	-29.3	179.7	-64.4	-178	0	0	0	113.2	F235 V269 V276 L287 N288 V290 P372 T373	F235-L375 HydrophobicContact CE1-CD2 4.06Å; V269-L375 HydrophobicContact CG1-CD1 3.66Å; V269-L375 HydrophobicContact CG1-CD2 3.82Å; V269-L375 HydrophobicContact CG1-CG 3.56Å; V276-L375 HydrophobicContact CG1-CB 4.4Å; V276-L375 HydrophobicContact CG2-CD1 4.3Å; L287-L375 CarbonylContact C-O 3.48Å; L287-L375 WeakPolarHBondContact CA-O 3.44Å; L287-L375 HydrophobicContact CD2-CB 4.41Å; N288-L375 WeakPolarHBondContact CB-O 3.26Å; N288-L375 PolarHBondContact N-O 3.3Å; N288-L375 PolarHBondContact ND2-O 2.71Å; V290-L375 HydrophobicContact CG2-CD2 4.17Å; P372-L375 WeakPolarHBondContact O-CB 3.5Å; P372-L375 PolarHBondContact O-N 3.07Å; T373-L375 PolarHBondContact O-N 3.06Å; T373-L375 VanDerWaalsContact O-N 3.14Å
376	N	90.4	Very high	94.8	Very high	33 Å²	33	34.6 Å²	34.6	18%	0.176	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116	1.5	178.3	-71.4	5.3	0	0	0	112.8	V276 L287 T373 I374 Q378	V276-N376 HydrophobicContact CG1-CB 4.35Å; V276-N376 VanDerWaalsContact CG1-ND2 3.27Å; V276-N376 WeakPolarHBondContact CG1-ND2 3.12Å; L287-N376 WeakPolarHBondContact CD2-OD1 3.48Å; T373-N376 PolarHBondContact O-N 3.1Å; I374-N376 VanDerWaalsContact C-N 3.35Å; I374-N376 PolarHBondContact O-N 3.14Å; N376-Q378 PolarHBondContact O-N 3.35Å
377	F	93	Very high	95	Very high	24 Å²	24	34 Å²	34	11%	0.105	17%	0.172	C	C	.	.			trans	-62.7	126.6	-178	-178.1	-103.1	0	0	0	110.9	N288 T373 M379 I386 F423 L501 L516	N288-F377 PolarHBondContact ND2-O 2.79Å; T373-F377 WeakPolarHBondContact O-CB 3.16Å; T373-F377 PolarHBondContact O-N 2.71Å; F377-M379 HydrophobicContact CE1-SD 4.37Å; F377-I386 HydrophobicContact CE1-CD1 4.21Å; F377-I386 HydrophobicContact CZ-CD1 3.78Å; F377-F423 HydrophobicContact CD1-CD1 4.44Å; F377-F423 AromaticContact CD1-CE1 3.89Å; F377-F423 HydrophobicContact CD1-CE1 3.89Å; F377-F423 HydrophobicContact CD1-CE2 4.49Å; F377-F423 AromaticContact CD1-CZ 3.9Å; F377-F423 HydrophobicContact CD1-CZ 3.9Å; F377-F423 AromaticContact CE1-CD1 3.81Å; F377-F423 HydrophobicContact CE1-CD1 3.81Å; F377-F423 AromaticContact CE1-CE1 3.54Å; F377-F423 HydrophobicContact CE1-CE1 3.54Å; F377-F423 HydrophobicContact CE1-CZ 4.05Å; F377-L501 HydrophobicContact CE2-CD1 3.95Å; F377-L516 HydrophobicContact CB-CD1 3.7Å; F377-L516 HydrophobicContact CD1-CD1 4.36Å; F377-L516 HydrophobicContact CD1-CD2 4.05Å; F377-L516 HydrophobicContact CD2-CD1 4.33Å; F377-L516 HydrophobicContact CE1-CD2 4.22Å; F377-L516 HydrophobicContact CG-CD1 3.86Å; F377-L516 HydrophobicContact CG-CD2 4.2Å
378	Q	92.9	Very high	95.2	Very high	120 Å²	120	33 Å²	33	56%	0.561	17%	0.166	S	C	*	.			trans	-110.6	130	173.2	-64.5	179.5	12.9	0	0	108.8	N376	N376-Q378 PolarHBondContact O-N 3.35Å
379	M	95	Very high	94.9	Very high	18 Å²	18	35.4 Å²	35.4	9%	0.089	18%	0.179	C	C	.	.			trans	-61.5	132.8	174.3	-169.1	60.9	174.2	0	0	110	Y360 F377 K381 L383 I385 I386 F423	Y360-M379 HydrophobicContact CE1-CB 3.73Å; Y360-M379 HydrophobicContact CE1-CG 3.85Å; Y360-M379 HydrophobicContact CE2-CB 4.39Å; F377-M379 HydrophobicContact CE1-SD 4.37Å; M379-K381 PolarHBondContact O-N 2.64Å; M379-L383 HydrophobicContact CE-CB 4.03Å; M379-L383 VanDerWaalsContact CE-O 3.32Å; M379-L383 WeakPolarHBondContact CE-O 2.94Å; M379-I385 VanDerWaalsContact CE-C 3.47Å; M379-I385 VanDerWaalsContact CE-CA 3.45Å; M379-I385 VanDerWaalsContact CE-N 3.3Å; M379-I386 HydrophobicContact CE-CB 4.41Å; M379-I386 HydrophobicContact CE-CG1 4.19Å; M379-I386 HydrophobicContact CE-CG2 3.87Å; M379-I386 HydrophobicContact SD-CD1 4.47Å; M379-I386 HydrophobicContact SD-CG1 4.21Å; M379-I386 HydrophobicContact SD-CG2 4.4Å; M379-F423 HydrophobicContact CB-CE1 4.33Å; M379-F423 HydrophobicContact SD-CD1 3.65Å; M379-F423 HydrophobicContact SD-CE1 3.8Å
380	P	94.1	Very high	94.5	Very high	40 Å²	40	35.7 Å²	35.7	26%	0.26	18%	0.182	S	C	.	.			trans	-57.3	125.7	173	-25.8	35.7	0	0	0	110.9	N382 L383	P380-N382 PolarHBondContact O-N 2.74Å; P380-L383 HydrophobicContact CB-CB 4.4Å; P380-L383 HydrophobicContact CB-CD1 4.04Å; P380-L383 HydrophobicContact CB-CG 4.17Å; P380-L383 HydrophobicContact CG-CD1 4.17Å; P380-L383 PolarHBondContact O-N 3.34Å; P380-L383 VanDerWaalsContact O-O 3.12Å
381	K	92.3	Very high	94.2	Very high	218 Å²	218	37 Å²	37	95%	0.948	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-22.7	-171.6	-65.7	-177.1	178.7	179.6	0	115.1	M379	M379-K381 PolarHBondContact O-N 2.64Å
382	N	94.1	Very high	94.1	Very high	127 Å²	127	37 Å²	37	68%	0.679	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.6	0.9	-179.8	66.7	-39.1	0	0	0	113.7	P380	P380-N382 PolarHBondContact O-N 2.74Å
383	L	96.8	Very high	94.2	Very high	17 Å²	17	38.8 Å²	38.8	9%	0.089	21%	0.208	C	C	.	.			trans	-124.4	132	-178	-55.3	180	0	0	0	110	M379 P380 I386	M379-L383 HydrophobicContact CE-CB 4.03Å; M379-L383 VanDerWaalsContact CE-O 3.32Å; M379-L383 WeakPolarHBondContact CE-O 2.94Å; P380-L383 HydrophobicContact CB-CB 4.4Å; P380-L383 HydrophobicContact CB-CD1 4.04Å; P380-L383 HydrophobicContact CB-CG 4.17Å; P380-L383 HydrophobicContact CG-CD1 4.17Å; P380-L383 PolarHBondContact O-N 3.34Å; P380-L383 VanDerWaalsContact O-O 3.12Å; L383-I386 HydrophobicContact CB-CG2 4.49Å; L383-I386 HydrophobicContact CD1-CG2 3.73Å
384	T	97	Very high	94.4	Very high	55 Å²	55	38.4 Å²	38.4	34%	0.337	21%	0.206	S	C	.	.	S	Bend	trans	-91.1	-17.8	174.2	55.6	0	0	0	0	112.6	G424 E425 L428	T384-G424 WeakPolarHBondContact O-CA 2.94Å; T384-E425 PolarHBondContact O-N 3.19Å; T384-L428 WeakPolarHBondContact OG1-CD2 3.45Å
385	I	98.4	Very high	94.5	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	144	179.1	-169.8	166.3	0	0	0	111.3	M379 W422 F423 L428 I429 L432 L485 I489 N496	M379-I385 VanDerWaalsContact CE-C 3.47Å; M379-I385 VanDerWaalsContact CE-CA 3.45Å; M379-I385 VanDerWaalsContact CE-N 3.3Å; I385-W422 HydrophobicContact CD1-CB 4.26Å; I385-W422 HydrophobicContact CD1-CD2 4.42Å; I385-W422 HydrophobicContact CD1-CE3 4.46Å; I385-W422 HydrophobicContact CD1-CG 4.39Å; I385-F423 CarbonylContact C-O 3.11Å; I385-F423 WeakPolarHBondContact CA-O 3.37Å; I385-L428 HydrophobicContact CB-CD2 4Å; I385-L428 HydrophobicContact CG2-CD2 4.19Å; I385-I429 HydrophobicContact CD1-CD1 3.51Å; I385-I429 HydrophobicContact CG1-CD1 4.21Å; I385-L432 HydrophobicContact CD1-CD1 4.08Å; I385-L485 HydrophobicContact CD1-CD2 3.76Å; I385-I489 HydrophobicContact CG2-CD1 3.93Å; I385-I489 HydrophobicContact CG2-CG1 4.03Å; I385-I489 HydrophobicContact CG2-CG2 4.41Å; I385-N496 PolarHBondContact O-ND2 3.34Å
386	I	98.4	Very high	94.7	Very high	1 Å²	1	50.1 Å²	50.1	1%	0.005	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	156	167.9	58.3	166.8	0	0	0	109.9	F377 M379 L383 F423 N496 K498 L502	F377-I386 HydrophobicContact CE1-CD1 4.21Å; F377-I386 HydrophobicContact CZ-CD1 3.78Å; M379-I386 HydrophobicContact CE-CB 4.41Å; M379-I386 HydrophobicContact CE-CG1 4.19Å; M379-I386 HydrophobicContact CE-CG2 3.87Å; M379-I386 HydrophobicContact SD-CD1 4.47Å; M379-I386 HydrophobicContact SD-CG1 4.21Å; M379-I386 HydrophobicContact SD-CG2 4.4Å; L383-I386 HydrophobicContact CB-CG2 4.49Å; L383-I386 HydrophobicContact CD1-CG2 3.73Å; I386-F423 HydrophobicContact CD1-CB 4.25Å; I386-F423 HydrophobicContact CD1-CD1 4.37Å; I386-F423 HydrophobicContact CG1-CB 3.83Å; I386-F423 HydrophobicContact CG1-CD1 4.23Å; I386-F423 HydrophobicContact CG1-CG 4.49Å; I386-F423 WeakPolarHBondContact CG1-O 3.44Å; I386-F423 PolarHBondContact N-O 2.72Å; I386-F423 PolarHBondContact O-N 3.08Å; I386-N496 CarbonylContact C-O 3.6Å; I386-N496 WeakPolarHBondContact CA-O 3.34Å; I386-N496 WeakPolarHBondContact CB-O 3.32Å; I386-K498 HydrophobicContact CB-CB 4.44Å; I386-K498 HydrophobicContact CB-CG 3.89Å; I386-K498 HydrophobicContact CD1-CB 4.33Å; I386-K498 HydrophobicContact CD1-CG 4.12Å; I386-K498 HydrophobicContact CG2-CG 3.78Å; I386-L502 HydrophobicContact CD1-CD1 3.85Å; I386-L502 HydrophobicContact CD1-CG 4.36Å; I386-L502 HydrophobicContact CG1-CD1 3.79Å
387	T	98.1	Very high	95	Very high	3 Å²	3	48.5 Å²	48.5	2%	0.018	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	159.2	-179.9	63.3	0	0	0	0	111.4	T421 W422 L485 N496 K498	T387-T421 VanDerWaalsContact CA-O 3.31Å; T387-T421 WeakPolarHBondContact CA-O 3.3Å; T387-W422 HydrophobicContact CG2-CG 4.34Å; T387-L485 HydrophobicContact CG2-CD1 3.63Å; T387-N496 PolarHBondContact N-O 3.45Å; T387-K498 PolarHBondContact O-N 2.96Å
388	G	96.5	Very high	95.3	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	-157.3	167.4	0	0	0	0	0	112.7	G419 T421 K497 L502 D503	G388-G419 VanDerWaalsContact C-CA 3.43Å; G388-G419 VanDerWaalsContact C-N 3.3Å; G388-G419 WeakPolarHBondContact O-CA 3.34Å; G388-G419 PolarHBondContact O-N 3.18Å; G388-T421 PolarHBondContact N-O 3.41Å; G388-T421 VanDerWaalsContact N-O 3.12Å; G388-K497 WeakPolarHBondContact O-CG 3.29Å; G388-L502 WeakPolarHBondContact CA-O 3.5Å; G388-D503 WeakPolarHBondContact CA-OD2 3.41Å
389	N	92.3	Very high	95.5	Very high	51 Å²	51	45.1 Å²	45.1	27%	0.273	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	130.4	177.2	-177.7	32.2	0	0	0	111.3	C417	N389-C417 PolarHBondContact OD1-O 2.98Å; N389-C417 VanDerWaalsContact OD1-O 3.11Å
390	G	89.7	Confident	95.6	Very high	6 Å²	6	44.6 Å²	44.6	6%	0.062	24%	0.239	C	C	.	.			trans	-92.7	-12	-168.8	0	0	0	0	0	116.9	Y392 C417 M478	G390-Y392 WeakPolarHBondContact O-CD1 3Å; G390-Y392 PolarHBondContact O-N 3.03Å; G390-C417 PolarHBondContact N-O 2.93Å; G390-M478 WeakPolarHBondContact O-CE 3.26Å
391	G	90.4	Very high	95.8	Very high	29 Å²	29	42.7 Å²	42.7	30%	0.299	23%	0.227	S	C	.	.			trans	65.2	-9.8	176.7	0	0	0	0	0	117.3	C393	G391-C393 PolarHBondContact O-N 3.16Å
392	Y	93.4	Very high	96.1	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.204	C	C	.	.			trans	-80.1	5.3	-177.1	61.1	-99.8	0	0	0	114.6	G390 T394 S397 L401 C417 T418 M478 Y479 E482	G390-Y392 WeakPolarHBondContact O-CD1 3Å; G390-Y392 PolarHBondContact O-N 3.03Å; Y392-T394 PolarHBondContact O-N 3.09Å; Y392-S397 PolarHBondContact O-OG 2.64Å; Y392-L401 HydrophobicContact CE2-CD1 3.95Å; Y392-C417 WeakPolarHBondContact OH-CA 3.4Å; Y392-C417 PolarHBondContact OH-N 3.34Å; Y392-T418 WeakPolarHBondContact CE1-O 3.04Å; Y392-T418 PolarHBondContact OH-N 2.86Å; Y392-T418 VanDerWaalsContact OH-N 3.1Å; Y392-T418 PolarHBondContact OH-O 3.31Å; Y392-T418 PolarHBondContact OH-OG1 3.42Å; Y392-M478 HydrophobicContact CD1-CB 3.76Å; Y392-M478 HydrophobicContact CD1-CE 3.8Å; Y392-M478 HydrophobicContact CD1-SD 4.14Å; Y392-M478 HydrophobicContact CE1-CB 3.64Å; Y392-M478 HydrophobicContact CE1-CE 4.04Å; Y392-Y479 AromaticContact CD2-CD1 3.82Å; Y392-Y479 HydrophobicContact CD2-CD1 3.82Å; Y392-Y479 AromaticContact CD2-CE1 3.52Å; Y392-Y479 HydrophobicContact CD2-CE1 3.52Å; Y392-Y479 HydrophobicContact CE2-CD1 4.06Å; Y392-Y479 HydrophobicContact CE2-CE1 4.23Å; Y392-Y479 HydrophobicContact CG-CD1 4.24Å; Y392-Y479 AromaticContact CG-CE1 3.81Å; Y392-Y479 HydrophobicContact CG-CE1 3.81Å; Y392-E482 WeakPolarHBondContact CE2-OE2 3.44Å; Y392-E482 VanDerWaalsContact CZ-OE2 3.28Å; Y392-E482 WeakPolarHBondContact OH-CB 3.3Å; Y392-E482 PolarHBondContact OH-OE2 3.11Å
393	C	94.6	Very high	96.3	Very high	39 Å²	39	38 Å²	38	26%	0.264	20%	0.197	S	C	.	.			trans	-82.3	123.1	-172.5	-87	0	0	0	0	113.1	G391 T398 C417	G391-C393 PolarHBondContact O-N 3.16Å; C393-T398 HydrophobicContact CB-CG2 4.23Å; C393-C417 HydrophobicContact CB-CB 3.9Å; C393-C417 WeakPolarHBondContact CB-SG 3.19Å; C393-C417 WeakPolarHBondContact SG-CA 3.37Å; C393-C417 WeakPolarHBondContact SG-CB 3.32Å; C393-C417 PolarHBondContact SG-N 3.07Å; C393-C417 CovalentContact SG-SG 2Å; C393-C417 PolarHBondContact SG-SG 3.24Å
394	T	97.3	Very high	96.4	Very high	25 Å²	25	37.2 Å²	37.2	15%	0.153	19%	0.193	C	C	.	.			trans	-135	166.1	166.7	66.9	0	0	0	0	108	Y392 F396 S397 T398 P469	Y392-T394 PolarHBondContact O-N 3.09Å; T394-F396 PolarHBondContact O-N 3.26Å; T394-F396 VanDerWaalsContact O-N 3.15Å; T394-F396 PolarHBondContact OG1-N 2.79Å; T394-S397 PolarHBondContact N-OG 2.84Å; T394-S397 PolarHBondContact O-N 2.75Å; T394-S397 PolarHBondContact O-OG 3.43Å; T394-S397 PolarHBondContact OG1-N 3.47Å; T394-S397 PolarHBondContact OG1-OG 2.92Å; T394-S397 VanDerWaalsContact OG1-OG 3.07Å; T394-T398 WeakPolarHBondContact O-CB 3.39Å; T394-T398 WeakPolarHBondContact O-CG2 3.38Å; T394-T398 PolarHBondContact O-N 2.97Å; T394-T398 VanDerWaalsContact O-N 3.08Å; T394-T398 PolarHBondContact O-OG1 3.15Å; T394-P469 HydrophobicContact CG2-CB 4.21Å; T394-P469 HydrophobicContact CG2-CG 3.73Å
395	K	97.3	Very high	96.5	Very high	198 Å²	198	34.7 Å²	34.7	86%	0.861	18%	0.178	S	C	*	.	H	α-helix	trans	-53.4	-33.7	170.8	-68.2	-175.3	179.4	179.9	0	111.9	T398 A399	K395-T398 PolarHBondContact O-OG1 2.71Å; K395-A399 VanDerWaalsContact O-CB 3.28Å; K395-A399 WeakPolarHBondContact O-CB 3.36Å; K395-A399 PolarHBondContact O-N 3.14Å
396	F	97.2	Very high	96.5	Very high	48 Å²	48	42.2 Å²	42.2	21%	0.211	21%	0.213	C	C	.	.	H	α-helix	trans	-72.7	-55.5	178.3	-176.2	-93.1	0	0	0	112.6	T394 T398 A399 R400 E455 L456 Y459 W471	T394-F396 PolarHBondContact O-N 3.26Å; T394-F396 VanDerWaalsContact O-N 3.15Å; T394-F396 PolarHBondContact OG1-N 2.79Å; F396-T398 PolarHBondContact O-N 2.79Å; F396-A399 PolarHBondContact O-N 2.9Å; F396-R400 HydrophobicContact CE1-CB 4.43Å; F396-R400 WeakPolarHBondContact O-CB 3.36Å; F396-R400 PolarHBondContact O-N 3.46Å; F396-E455 HydrophobicContact CE2-CG 4.43Å; F396-E455 HydrophobicContact CZ-CG 4.37Å; F396-L456 HydrophobicContact CE1-CD2 3.85Å; F396-L456 HydrophobicContact CZ-CD2 3.66Å; F396-Y459 HydrophobicContact CD1-CD2 4.4Å; F396-Y459 AromaticContact CD1-CE2 3.72Å; F396-Y459 HydrophobicContact CD1-CE2 3.72Å; F396-Y459 AromaticContact CD2-CE2 3.76Å; F396-Y459 HydrophobicContact CD2-CE2 3.76Å; F396-Y459 AromaticContact CD2-CZ 3.95Å; F396-Y459 WeakPolarHBondContact CD2-OH 3.41Å; F396-Y459 HydrophobicContact CE1-CD2 4.01Å; F396-Y459 AromaticContact CE1-CE2 3.58Å; F396-Y459 HydrophobicContact CE1-CE2 3.58Å; F396-Y459 AromaticContact CE2-CE2 3.62Å; F396-Y459 HydrophobicContact CE2-CE2 3.62Å; F396-Y459 AromaticContact CG-CE2 3.81Å; F396-Y459 HydrophobicContact CG-CE2 3.81Å; F396-Y459 AromaticContact CG-CZ 3.81Å; F396-Y459 WeakPolarHBondContact CG-OH 3.42Å; F396-Y459 HydrophobicContact CZ-CD2 4.14Å; F396-Y459 AromaticContact CZ-CE2 3.55Å; F396-Y459 HydrophobicContact CZ-CE2 3.55Å; F396-W471 HydrophobicContact CD1-CB 4.21Å; F396-W471 HydrophobicContact CE1-CB 3.88Å; F396-W471 HydrophobicContact CE1-CD2 4.38Å; F396-W471 HydrophobicContact CE1-CG 4.09Å
397	S	97.1	Very high	96.4	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-60.6	-44.5	-177.3	43.9	0	0	0	0	112.1	Y392 T394 A399 R400 L401 H470	Y392-S397 PolarHBondContact O-OG 2.64Å; T394-S397 PolarHBondContact N-OG 2.84Å; T394-S397 PolarHBondContact O-N 2.75Å; T394-S397 PolarHBondContact O-OG 3.43Å; T394-S397 PolarHBondContact OG1-N 3.47Å; T394-S397 PolarHBondContact OG1-OG 2.92Å; T394-S397 VanDerWaalsContact OG1-OG 3.07Å; S397-A399 PolarHBondContact O-N 3.06Å; S397-R400 PolarHBondContact O-N 3.35Å; S397-L401 VanDerWaalsContact O-CG 3.29Å; S397-L401 WeakPolarHBondContact O-CG 3.36Å; S397-L401 PolarHBondContact O-N 2.84Å; S397-H470 VanDerWaalsContact CB-O 3.26Å; S397-H470 WeakPolarHBondContact CB-O 3.31Å
398	T	97.9	Very high	96.4	Very high	26 Å²	26	50.1 Å²	50.1	16%	0.16	25%	0.246	C	C	.	.	H	α-helix	trans	-62.5	-43.8	179.1	54.1	0	0	0	0	112.4	C393 T394 K395 F396 L401 R402 H416	C393-T398 HydrophobicContact CB-CG2 4.23Å; T394-T398 WeakPolarHBondContact O-CB 3.39Å; T394-T398 WeakPolarHBondContact O-CG2 3.38Å; T394-T398 PolarHBondContact O-N 2.97Å; T394-T398 VanDerWaalsContact O-N 3.08Å; T394-T398 PolarHBondContact O-OG1 3.15Å; K395-T398 PolarHBondContact O-OG1 2.71Å; F396-T398 PolarHBondContact O-N 2.79Å; T398-L401 PolarHBondContact O-N 2.91Å; T398-R402 PolarHBondContact O-N 2.61Å; T398-H416 HydrophobicContact CG2-CB 3.94Å
399	A	97.9	Very high	96.5	Very high	46 Å²	46	53.3 Å²	53.3	38%	0.38	28%	0.28	S	S	.	.	H	α-helix	trans	-65.8	-38.9	175.5	0	0	0	0	0	112	K395 F396 S397 R402 K403	K395-A399 VanDerWaalsContact O-CB 3.28Å; K395-A399 WeakPolarHBondContact O-CB 3.36Å; K395-A399 PolarHBondContact O-N 3.14Å; F396-A399 PolarHBondContact O-N 2.9Å; S397-A399 PolarHBondContact O-N 3.06Å; A399-R402 PolarHBondContact O-N 2.73Å; A399-K403 PolarHBondContact O-N 2.87Å
400	R	97.7	Very high	96.8	Very high	7 Å²	7	53 Å²	53	3%	0.026	28%	0.278	C	S	.	.	H	α-helix	trans	-67.2	-41.1	178.1	-173.9	169.8	179.3	81.5	4.4	112.1	F396 S397 R402 K403 I404 E447 E455 W471	F396-R400 HydrophobicContact CE1-CB 4.43Å; F396-R400 WeakPolarHBondContact O-CB 3.36Å; F396-R400 PolarHBondContact O-N 3.46Å; S397-R400 PolarHBondContact O-N 3.35Å; R400-R402 VanDerWaalsContact C-N 3.32Å; R400-R402 PolarHBondContact O-N 3.41Å; R400-K403 WeakPolarHBondContact O-CB 3.5Å; R400-K403 PolarHBondContact O-N 3.07Å; R400-K403 VanDerWaalsContact O-N 3.13Å; R400-I404 HydrophobicContact CG-CD1 4.14Å; R400-I404 WeakPolarHBondContact O-CG1 3.39Å; R400-I404 PolarHBondContact O-N 3.13Å; R400-E447 PolarHBondContact NH2-O 2.93Å; R400-E447 IonicContact NH2-OE2 2.62Å; R400-E455 IonicContact CZ-OE1 3.18Å; R400-E455 IonicContact NH1-OE1 2.89Å; R400-E455 PolarHBondContact NH1-OE1 2.84Å; R400-W471 HydrophobicContact CB-CE3 4.47Å; R400-W471 HydrophobicContact CB-CH2 4.36Å; R400-W471 HydrophobicContact CB-CZ3 4.14Å; R400-W471 VanDerWaalsContact CD-CZ2 3.48Å; R400-W471 HydrophobicContact CG-CE3 4.47Å; R400-W471 HydrophobicContact CG-CH2 3.89Å; R400-W471 HydrophobicContact CG-CZ2 4.01Å; R400-W471 HydrophobicContact CG-CZ3 4.12Å; R400-W471 VanDerWaalsContact NE-CZ2 3.3Å
401	L	98.4	Very high	97.2	Very high	0 Å²	0	59 Å²	59	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-61.7	-39.5	176.5	-71.9	168.6	0	0	0	111.9	Y392 S397 T398 K403 I404 A405 W471 Y479 E482 L483	Y392-L401 HydrophobicContact CE2-CD1 3.95Å; S397-L401 VanDerWaalsContact O-CG 3.29Å; S397-L401 WeakPolarHBondContact O-CG 3.36Å; S397-L401 PolarHBondContact O-N 2.84Å; T398-L401 PolarHBondContact O-N 2.91Å; L401-K403 PolarHBondContact O-N 3.03Å; L401-I404 HydrophobicContact CD2-CD1 4.33Å; L401-I404 PolarHBondContact O-N 2.68Å; L401-A405 WeakPolarHBondContact O-CB 3.17Å; L401-A405 PolarHBondContact O-N 3.48Å; L401-W471 HydrophobicContact CD2-CH2 3.94Å; L401-W471 HydrophobicContact CD2-CZ3 4.24Å; L401-W471 HydrophobicContact CG-CH2 4.28Å; L401-W471 HydrophobicContact CG-CZ3 4.15Å; L401-Y479 HydrophobicContact CD1-CD1 3.93Å; L401-Y479 HydrophobicContact CD2-CD1 4.08Å; L401-Y479 HydrophobicContact CD2-CG 3.98Å; L401-Y479 HydrophobicContact CG-CD1 4.48Å; L401-E482 WeakPolarHBondContact CD1-OE1 3.06Å; L401-L483 HydrophobicContact CB-CD2 4.12Å; L401-L483 HydrophobicContact CD2-CD1 4.46Å; L401-L483 HydrophobicContact CD2-CD2 4.32Å; L401-L483 HydrophobicContact CD2-CG 4.31Å
402	R	98.4	Very high	97.6	Very high	126 Å²	126	59.6 Å²	59.6	48%	0.475	30%	0.297	S	S	.	.	H	α-helix	trans	-60.3	-44	171.6	-68.7	178.5	-171.3	169.1	-0	112.4	T398 A399 R400 I404 A405 E406 H416	T398-R402 PolarHBondContact O-N 2.61Å; A399-R402 PolarHBondContact O-N 2.73Å; R400-R402 VanDerWaalsContact C-N 3.32Å; R400-R402 PolarHBondContact O-N 3.41Å; R402-I404 VanDerWaalsContact C-N 3.32Å; R402-I404 PolarHBondContact O-N 2.78Å; R402-A405 WeakPolarHBondContact O-CB 2.94Å; R402-A405 PolarHBondContact O-N 2.78Å; R402-E406 WeakPolarHBondContact O-CB 3.36Å; R402-E406 PolarHBondContact O-N 3.22Å; R402-H416 VanDerWaalsContact CZ-NE2 3.34Å; R402-H416 PolarHBondContact NE-NE2 3.02Å; R402-H416 PolarHBondContact NH2-NE2 3.33Å
403	K	98	Very high	97.8	Very high	122 Å²	122	62.3 Å²	62.3	53%	0.53	31%	0.309	S	S	.	.	H	α-helix	trans	-64.5	-35.3	175.7	-68.3	-178.9	177.1	-175.8	0	112.5	A399 R400 L401 R407	A399-K403 PolarHBondContact O-N 2.87Å; R400-K403 WeakPolarHBondContact O-CB 3.5Å; R400-K403 PolarHBondContact O-N 3.07Å; R400-K403 VanDerWaalsContact O-N 3.13Å; L401-K403 PolarHBondContact O-N 3.03Å; K403-R407 WeakPolarHBondContact O-CB 3.07Å; K403-R407 VanDerWaalsContact O-CG 3.31Å; K403-R407 WeakPolarHBondContact O-CG 3.46Å; K403-R407 PolarHBondContact O-N 2.72Å; K403-R407 PolarHBondContact O-NH1 3.09Å
404	I	98.5	Very high	97.9	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-66.2	-47.4	174.2	-67.4	164.3	0	0	0	109.7	R400 L401 R402 E406 R407 L408 E447 W471 L483	R400-I404 HydrophobicContact CG-CD1 4.14Å; R400-I404 WeakPolarHBondContact O-CG1 3.39Å; R400-I404 PolarHBondContact O-N 3.13Å; L401-I404 HydrophobicContact CD2-CD1 4.33Å; L401-I404 PolarHBondContact O-N 2.68Å; R402-I404 VanDerWaalsContact C-N 3.32Å; R402-I404 PolarHBondContact O-N 2.78Å; I404-E406 VanDerWaalsContact C-N 3.35Å; I404-E406 PolarHBondContact O-N 2.93Å; I404-R407 PolarHBondContact O-N 2.67Å; I404-L408 HydrophobicContact CG2-CD1 3.78Å; I404-L408 HydrophobicContact CG2-CG 4.34Å; I404-L408 WeakPolarHBondContact O-CB 3.2Å; I404-L408 WeakPolarHBondContact O-CG 3.07Å; I404-L408 PolarHBondContact O-N 2.99Å; I404-E447 HydrophobicContact CD1-CB 4.13Å; I404-E447 HydrophobicContact CD1-CG 4.01Å; I404-E447 HydrophobicContact CG1-CG 4.27Å; I404-E447 WeakPolarHBondContact CG1-OE2 3.49Å; I404-W471 HydrophobicContact CD1-CH2 3.59Å; I404-W471 HydrophobicContact CD1-CZ2 3.74Å; I404-L483 HydrophobicContact CB-CD1 4.22Å; I404-L483 HydrophobicContact CG2-CD1 3.6Å
405	A	98.6	Very high	98	Very high	2 Å²	2	60.9 Å²	60.9	2%	0.017	30%	0.304	C	S	.	.	H	α-helix	trans	-55.9	-49.7	177	0	0	0	0	0	111.5	L401 R402 R407 L408 G409 L410 H412 L483	L401-A405 WeakPolarHBondContact O-CB 3.17Å; L401-A405 PolarHBondContact O-N 3.48Å; R402-A405 WeakPolarHBondContact O-CB 2.94Å; R402-A405 PolarHBondContact O-N 2.78Å; A405-R407 PolarHBondContact O-N 3.04Å; A405-L408 CarbonylContact O-C 3.56Å; A405-L408 PolarHBondContact O-N 2.93Å; A405-L408 VanDerWaalsContact O-N 3.16Å; A405-G409 PolarHBondContact O-N 3.14Å; A405-L410 HydrophobicContact CB-CB 4.11Å; A405-L410 PolarHBondContact O-N 2.88Å; A405-H412 HydrophobicContact CB-CB 3.89Å; A405-L483 HydrophobicContact CB-CD2 4.02Å
406	E	98.4	Very high	98	Very high	157 Å²	157	52.1 Å²	52.1	73%	0.734	27%	0.267	S	S	*	.	H	α-helix	trans	-57.5	-47.9	176.8	-175.5	-179.3	-170.7	0	0	112.1	R402 I404 L408 G409	R402-E406 WeakPolarHBondContact O-CB 3.36Å; R402-E406 PolarHBondContact O-N 3.22Å; I404-E406 VanDerWaalsContact C-N 3.35Å; I404-E406 PolarHBondContact O-N 2.93Å; E406-L408 VanDerWaalsContact C-N 3.25Å; E406-L408 PolarHBondContact O-N 3.27Å; E406-G409 PolarHBondContact O-N 2.05Å; E406-G409 VanDerWaalsContact O-N 3.14Å
407	R	97.7	Very high	97.9	Very high	108 Å²	108	50.9 Å²	50.9	41%	0.408	26%	0.264	S	S	.	.	H	α-helix	trans	-60.6	-33.4	177.2	-77.9	-166.9	-57.6	-87.9	11.2	113.5	K403 I404 A405 E447	K403-R407 WeakPolarHBondContact O-CB 3.07Å; K403-R407 VanDerWaalsContact O-CG 3.31Å; K403-R407 WeakPolarHBondContact O-CG 3.46Å; K403-R407 PolarHBondContact O-N 2.72Å; K403-R407 PolarHBondContact O-NH1 3.09Å; I404-R407 PolarHBondContact O-N 2.67Å; A405-R407 PolarHBondContact O-N 3.04Å; R407-E447 IonicContact CZ-OE2 2.7Å; R407-E447 IonicContact NH2-OE1 3.62Å; R407-E447 IonicContact NH2-OE2 3.96Å; R407-E447 PolarHBondContact NH2-OE2 3.44Å
408	L	98.3	Very high	97.9	Very high	62 Å²	62	51 Å²	51	33%	0.325	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	0.7	-179.3	-64.8	-179.7	0	0	0	113.1	I404 A405 E406 L410 L439 Y442	I404-L408 HydrophobicContact CG2-CD1 3.78Å; I404-L408 HydrophobicContact CG2-CG 4.34Å; I404-L408 WeakPolarHBondContact O-CB 3.2Å; I404-L408 WeakPolarHBondContact O-CG 3.07Å; I404-L408 PolarHBondContact O-N 2.99Å; A405-L408 CarbonylContact O-C 3.56Å; A405-L408 PolarHBondContact O-N 2.93Å; A405-L408 VanDerWaalsContact O-N 3.16Å; E406-L408 VanDerWaalsContact C-N 3.25Å; E406-L408 PolarHBondContact O-N 3.27Å; L408-L410 VanDerWaalsContact C-N 3.25Å; L408-L410 HydrophobicContact CB-CD1 4.03Å; L408-L410 HydrophobicContact CB-CG 3.84Å; L408-L410 HydrophobicContact CD1-CD1 4.15Å; L408-L410 PolarHBondContact O-N 3.17Å; L408-L439 HydrophobicContact CD1-CD1 3.61Å; L408-Y442 HydrophobicContact CD1-CD1 4.11Å; L408-Y442 HydrophobicContact CD1-CE1 3.82Å; L408-Y442 HydrophobicContact CD2-CE1 3.9Å; L408-Y442 HydrophobicContact CD2-CE2 4.41Å; L408-Y442 HydrophobicContact CG-CE1 4.34Å
409	G	98.3	Very high	97.8	Very high	68 Å²	68	49.7 Å²	49.7	70%	0.701	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.1	22.3	-176.3	0	0	0	0	0	114.1	A405 E406	A405-G409 PolarHBondContact O-N 3.14Å; E406-G409 PolarHBondContact O-N 2.05Å; E406-G409 VanDerWaalsContact O-N 3.14Å
410	L	98.6	Very high	97.6	Very high	44 Å²	44	47.7 Å²	47.7	23%	0.23	24%	0.24	C	C	.	.			trans	-88.1	140.5	178.8	-55.6	176.7	0	0	0	110.7	A405 L408 H412 L439 L483 D487	A405-L410 HydrophobicContact CB-CB 4.11Å; A405-L410 PolarHBondContact O-N 2.88Å; L408-L410 VanDerWaalsContact C-N 3.25Å; L408-L410 HydrophobicContact CB-CD1 4.03Å; L408-L410 HydrophobicContact CB-CG 3.84Å; L408-L410 HydrophobicContact CD1-CD1 4.15Å; L408-L410 PolarHBondContact O-N 3.17Å; L410-H412 PolarHBondContact O-N 2.98Å; L410-L439 HydrophobicContact CD1-CD2 4.02Å; L410-L483 HydrophobicContact CD1-CB 4.19Å; L410-L483 HydrophobicContact CD1-CD1 4.4Å; L410-D487 WeakPolarHBondContact CA-OD1 2.68Å; L410-D487 HydrophobicContact CB-CB 4.23Å; L410-D487 HydrophobicContact CD2-CB 4.42Å
411	K	98.1	Very high	97.6	Very high	132 Å²	132	47.4 Å²	47.4	57%	0.574	24%	0.238	S	C	*	.			trans	-75	120.1	173.7	-175.3	175	-178	178.3	0	109.9	K413 N486 D487	K411-K413 HydrophobicContact CD-CG 4.49Å; K411-K413 HydrophobicContact CG-CG 4.3Å; K411-N486 CarbonylContact O-C 3.49Å; K411-D487 PolarHBondContact N-OD1 2.92Å; K411-D487 VanDerWaalsContact O-CA 3.26Å; K411-D487 WeakPolarHBondContact O-CA 3.44Å; K411-D487 PolarHBondContact O-N 3.21Å
412	H	98.3	Very high	97.6	Very high	41 Å²	41	47.4 Å²	47.4	19%	0.19	24%	0.238	C	C	.	.			trans	-105.1	111.8	172.4	-160.6	-64.9	0	0	0	111.3	A405 L410 G414 H416 E482	A405-H412 HydrophobicContact CB-CB 3.89Å; L410-H412 PolarHBondContact O-N 2.98Å; H412-G414 VanDerWaalsContact C-N 3.32Å; H412-G414 WeakPolarHBondContact ND1-CA 3.29Å; H412-G414 PolarHBondContact ND1-N 3Å; H412-G414 PolarHBondContact O-N 3.25Å; H412-H416 AromaticContact CE1-CE1 3.1Å; H412-H416 PolarHBondContact CE1-CE1 3.43Å; H412-H416 AromaticContact CE1-ND1 3.61Å; H412-H416 AromaticContact CE1-NE2 3.56Å; H412-H416 AromaticContact NE2-CE1 3.43Å; H412-H416 PolarHBondContact NE2-CE1 2.94Å; H412-H416 AromaticContact NE2-ND1 3.78Å; H412-E482 IonicContact NE2-OE1 3.82Å; H412-E482 PolarHBondContact NE2-OE1 3.35Å
413	K	97.5	Very high	97.6	Very high	57 Å²	57	41.5 Å²	41.5	25%	0.248	22%	0.216	C	C	.	.			trans	-85.2	-3.7	-176.5	-62.5	-178.5	-178.3	90.5	0	114	K411 N486 D487 I489 E490 L492	K411-K413 HydrophobicContact CD-CG 4.49Å; K411-K413 HydrophobicContact CG-CG 4.3Å; K413-N486 WeakPolarHBondContact CA-OD1 3.05Å; K413-N486 WeakPolarHBondContact CG-O 3.42Å; K413-N486 PolarHBondContact N-OD1 3.39Å; K413-N486 PolarHBondContact NZ-O 3.48Å; K413-D487 PolarHBondContact NZ-O 2.81Å; K413-I489 VanDerWaalsContact CE-O 3.27Å; K413-I489 WeakPolarHBondContact CE-O 3.32Å; K413-I489 PolarHBondContact NZ-O 2.88Å; K413-E490 WeakPolarHBondContact CE-O 3.49Å; K413-L492 HydrophobicContact CD-CB 4.18Å
414	G	97.2	Very high	97.6	Very high	27 Å²	27	35.7 Å²	35.7	28%	0.278	19%	0.191	S	C	.	.	S	Bend	trans	90.9	6.1	174	0	0	0	0	0	113.6	H412 H416 N486	H412-G414 VanDerWaalsContact C-N 3.32Å; H412-G414 WeakPolarHBondContact ND1-CA 3.29Å; H412-G414 PolarHBondContact ND1-N 3Å; H412-G414 PolarHBondContact O-N 3.25Å; G414-H416 PolarHBondContact O-CD2 2.98Å; G414-N486 PolarHBondContact N-OD1 2.68Å; G414-N486 VanDerWaalsContact N-OD1 3.16Å
415	V	98	Very high	97.6	Very high	7 Å²	7	39.7 Å²	39.7	4%	0.042	21%	0.21	C	C	.	.			trans	-79.6	120.9	172.4	179.2	0	0	0	0	108.1	T418 N486 L492 E494	V415-T418 HydrophobicContact CG1-CG2 4.32Å; V415-N486 PolarHBondContact N-OD1 2.84Å; V415-N486 PolarHBondContact O-ND2 2.93Å; V415-L492 HydrophobicContact CB-CD2 3.72Å; V415-L492 HydrophobicContact CB-CG 4.15Å; V415-L492 HydrophobicContact CG1-CD2 4.02Å; V415-L492 HydrophobicContact CG1-CG 4.27Å; V415-L492 HydrophobicContact CG2-CD2 4.02Å; V415-L492 HydrophobicContact CG2-CG 3.97Å; V415-E494 WeakPolarHBondContact CA-OE1 3.35Å
416	H	97.9	Very high	97.6	Very high	15 Å²	15	39.8 Å²	39.8	7%	0.069	21%	0.21	C	C	.	.			trans	-121.8	164	-175.1	-68.2	-72.8	0	0	0	111.6	T398 R402 H412 G414 E482 E494 K497	T398-H416 HydrophobicContact CG2-CB 3.94Å; R402-H416 VanDerWaalsContact CZ-NE2 3.34Å; R402-H416 PolarHBondContact NE-NE2 3.02Å; R402-H416 PolarHBondContact NH2-NE2 3.33Å; H412-H416 AromaticContact CE1-CE1 3.1Å; H412-H416 PolarHBondContact CE1-CE1 3.43Å; H412-H416 AromaticContact CE1-ND1 3.61Å; H412-H416 AromaticContact CE1-NE2 3.56Å; H412-H416 AromaticContact NE2-CE1 3.43Å; H412-H416 PolarHBondContact NE2-CE1 2.94Å; H412-H416 AromaticContact NE2-ND1 3.78Å; G414-H416 PolarHBondContact O-CD2 2.98Å; H416-E482 WeakPolarHBondContact CA-OE2 3.4Å; H416-E482 IonicContact CE1-OE1 2.75Å; H416-E482 IonicContact CG-OE1 3.45Å; H416-E482 IonicContact ND1-OE1 3.26Å; H416-E482 PolarHBondContact ND1-OE1 3.5Å; H416-E482 IonicContact ND1-OE2 2.66Å; H416-E494 PolarHBondContact N-OE1 3.3Å; H416-K497 PolarHBondContact O-NZ 3.32Å
417	C	95.9	Very high	97.6	Very high	22 Å²	22	37.5 Å²	37.5	15%	0.149	20%	0.203	C	C	.	.			trans	69	30.9	171.6	-27.8	0	0	0	0	113.4	N389 G390 Y392 C393 G419 E482	N389-C417 PolarHBondContact OD1-O 2.98Å; N389-C417 VanDerWaalsContact OD1-O 3.11Å; G390-C417 PolarHBondContact N-O 2.93Å; Y392-C417 WeakPolarHBondContact OH-CA 3.4Å; Y392-C417 PolarHBondContact OH-N 3.34Å; C393-C417 HydrophobicContact CB-CB 3.9Å; C393-C417 WeakPolarHBondContact CB-SG 3.19Å; C393-C417 WeakPolarHBondContact SG-CA 3.37Å; C393-C417 WeakPolarHBondContact SG-CB 3.32Å; C393-C417 PolarHBondContact SG-N 3.07Å; C393-C417 CovalentContact SG-SG 2Å; C393-C417 PolarHBondContact SG-SG 3.24Å; C417-G419 PolarHBondContact O-N 2.95Å; C417-E482 PolarHBondContact N-OE2 3.16Å
418	T	96.8	Very high	97.6	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.006	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	134.3	175.9	53.3	0	0	0	0	110.1	Y392 V415 E482 L485	Y392-T418 WeakPolarHBondContact CE1-O 3.04Å; Y392-T418 PolarHBondContact OH-N 2.86Å; Y392-T418 VanDerWaalsContact OH-N 3.1Å; Y392-T418 PolarHBondContact OH-O 3.31Å; Y392-T418 PolarHBondContact OH-OG1 3.42Å; V415-T418 HydrophobicContact CG1-CG2 4.32Å; T418-E482 WeakPolarHBondContact OG1-CA 3.4Å; T418-L485 HydrophobicContact CG2-CD1 3.8Å
419	G	94.7	Very high	97.6	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	166.4	178.3	0	0	0	0	0	113.4	G388 C417 T421 Q481 D503	G388-G419 VanDerWaalsContact C-CA 3.43Å; G388-G419 VanDerWaalsContact C-N 3.3Å; G388-G419 WeakPolarHBondContact O-CA 3.34Å; G388-G419 PolarHBondContact O-N 3.18Å; C417-G419 PolarHBondContact O-N 2.95Å; G419-T421 PolarHBondContact O-N 3Å; G419-Q481 PolarHBondContact O-OE1 3.26Å; G419-D503 WeakPolarHBondContact CA-OD2 3.46Å
420	S	94.4	Very high	97.6	Very high	4 Å²	4	28.3 Å²	28.3	3%	0.028	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	-25.9	176.3	63.2	0	0	0	0	112.2	R363 D365 Q481 D503	R363-S420 PolarHBondContact NH1-O 3.42Å; D365-S420 VanDerWaalsContact OD2-CB 3.25Å; D365-S420 WeakPolarHBondContact OD2-CB 3.46Å; D365-S420 PolarHBondContact OD2-OG 2.98Å; S420-Q481 VanDerWaalsContact CA-OE1 3.27Å; S420-D503 PolarHBondContact N-OD2 2.9Å
421	T	97.7	Very high	97.6	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	129.1	-180	-62.3	0	0	0	0	111.6	L362 R363 T387 G388 G419 L502 D503 H517	L362-T421 HydrophobicContact CD1-CG2 3.45Å; L362-T421 VanDerWaalsContact CD1-CG2 3.45Å; L362-T421 HydrophobicContact CG-CG2 4.42Å; R363-T421 VanDerWaalsContact O-CA 3.27Å; R363-T421 WeakPolarHBondContact O-CA 3.46Å; R363-T421 WeakPolarHBondContact O-CG2 3.46Å; T387-T421 VanDerWaalsContact CA-O 3.31Å; T387-T421 WeakPolarHBondContact CA-O 3.3Å; G388-T421 PolarHBondContact N-O 3.41Å; G388-T421 VanDerWaalsContact N-O 3.12Å; G419-T421 PolarHBondContact O-N 3Å; T421-L502 HydrophobicContact CG2-CB 4.45Å; T421-L502 HydrophobicContact CG2-CD1 4.4Å; T421-L502 HydrophobicContact CG2-CD2 4.03Å; T421-D503 WeakPolarHBondContact CB-OD1 3.45Å; T421-D503 WeakPolarHBondContact CB-OD2 3.21Å; T421-D503 PolarHBondContact N-OD2 3.4Å; T421-D503 VanDerWaalsContact N-OD2 3.09Å; T421-D503 PolarHBondContact OG1-OD1 3.42Å; T421-H517 PolarHBondContact OG1-CE1 3.34Å
422	W	98.3	Very high	97.6	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	130.3	176.4	-60.8	-7.7	0	0	0	110	L362 R363 I385 T387 I429 L432 A436 Q481 V484 L485	L362-W422 CarbonylContact C-O 3.45Å; L362-W422 WeakPolarHBondContact CA-O 3.16Å; R363-W422 HydrophobicContact CB-CB 4.35Å; R363-W422 PolarHBondContact N-O 2.56Å; R363-W422 PolarHBondContact O-N 3.33Å; I385-W422 HydrophobicContact CD1-CB 4.26Å; I385-W422 HydrophobicContact CD1-CD2 4.42Å; I385-W422 HydrophobicContact CD1-CE3 4.46Å; I385-W422 HydrophobicContact CD1-CG 4.39Å; T387-W422 HydrophobicContact CG2-CG 4.34Å; W422-I429 HydrophobicContact CB-CD1 3.64Å; W422-I429 HydrophobicContact CD2-CD1 4.46Å; W422-I429 HydrophobicContact CE3-CD1 3.88Å; W422-I429 HydrophobicContact CG-CD1 4.45Å; W422-L432 HydrophobicContact CH2-CB 4.17Å; W422-L432 HydrophobicContact CZ3-CB 3.72Å; W422-L432 HydrophobicContact CZ3-CD1 4.42Å; W422-A436 HydrophobicContact CH2-CB 3.89Å; W422-Q481 HydrophobicContact CH2-CG 4.17Å; W422-Q481 HydrophobicContact CZ2-CB 3.53Å; W422-Q481 HydrophobicContact CZ2-CG 3.4Å; W422-V484 HydrophobicContact CH2-CG1 4.44Å; W422-L485 HydrophobicContact CZ2-CD1 3.99Å; W422-L485 HydrophobicContact CZ2-CD2 4.11Å; W422-L485 HydrophobicContact CZ2-CG 3.88Å
423	F	98.6	Very high	97.6	Very high	2 Å²	2	23.7 Å²	23.7	1%	0.009	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	120.6	167.2	-176.7	-84.6	0	0	0	108.6	I240 Y360 F361 L362 F377 M379 I385 I386 L502 L516	I240-F423 HydrophobicContact CD1-CE2 3.94Å; I240-F423 HydrophobicContact CD1-CZ 4.01Å; I240-F423 HydrophobicContact CG1-CE2 4.29Å; I240-F423 HydrophobicContact CG1-CZ 4.36Å; I240-F423 HydrophobicContact CG2-CE2 3.93Å; Y360-F423 HydrophobicContact CD1-CE1 4.01Å; Y360-F423 HydrophobicContact CD1-CZ 4.4Å; Y360-F423 HydrophobicContact CD2-CE1 4.44Å; Y360-F423 HydrophobicContact CD2-CZ 4.17Å; Y360-F423 AromaticContact CG-CE1 3.91Å; Y360-F423 HydrophobicContact CG-CE1 3.91Å; Y360-F423 AromaticContact CG-CZ 3.82Å; Y360-F423 HydrophobicContact CG-CZ 3.82Å; F361-F423 WeakPolarHBondContact O-CA 3.24Å; L362-F423 HydrophobicContact CB-CD2 4Å; L362-F423 HydrophobicContact CD1-CB 3.97Å; L362-F423 HydrophobicContact CD1-CD2 4.04Å; F377-F423 HydrophobicContact CD1-CD1 4.44Å; F377-F423 AromaticContact CD1-CE1 3.89Å; F377-F423 HydrophobicContact CD1-CE1 3.89Å; F377-F423 HydrophobicContact CD1-CE2 4.49Å; F377-F423 AromaticContact CD1-CZ 3.9Å; F377-F423 HydrophobicContact CD1-CZ 3.9Å; F377-F423 AromaticContact CE1-CD1 3.81Å; F377-F423 HydrophobicContact CE1-CD1 3.81Å; F377-F423 AromaticContact CE1-CE1 3.54Å; F377-F423 HydrophobicContact CE1-CE1 3.54Å; F377-F423 HydrophobicContact CE1-CZ 4.05Å; M379-F423 HydrophobicContact CB-CE1 4.33Å; M379-F423 HydrophobicContact SD-CD1 3.65Å; M379-F423 HydrophobicContact SD-CE1 3.8Å; I385-F423 CarbonylContact C-O 3.11Å; I385-F423 WeakPolarHBondContact CA-O 3.37Å; I386-F423 HydrophobicContact CD1-CB 4.25Å; I386-F423 HydrophobicContact CD1-CD1 4.37Å; I386-F423 HydrophobicContact CG1-CB 3.83Å; I386-F423 HydrophobicContact CG1-CD1 4.23Å; I386-F423 HydrophobicContact CG1-CG 4.49Å; I386-F423 WeakPolarHBondContact CG1-O 3.44Å; I386-F423 PolarHBondContact N-O 2.72Å; I386-F423 PolarHBondContact O-N 3.08Å; F423-L502 HydrophobicContact CB-CD1 3.9Å; F423-L516 HydrophobicContact CD2-CD2 4.37Å
424	G	98.3	Very high	97.6	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-171.5	178.5	-177.7	0	0	0	0	0	112.6	Y360 F361 T384 S426	Y360-G424 CarbonylContact C-O 3.49Å; Y360-G424 VanDerWaalsContact CA-O 3.24Å; Y360-G424 WeakPolarHBondContact CA-O 3.22Å; Y360-G424 WeakPolarHBondContact CB-O 3.26Å; F361-G424 PolarHBondContact N-O 3.35Å; F361-G424 PolarHBondContact O-N 2.78Å; F361-G424 VanDerWaalsContact O-N 3.13Å; T384-G424 WeakPolarHBondContact O-CA 2.94Å; G424-S426 PolarHBondContact O-N 2.88Å
425	E	98.4	Very high	97.7	Very high	85 Å²	85	24.9 Å²	24.9	40%	0.397	13%	0.131	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-52.2	135.2	-179.9	-67.3	176.1	178.9	0	0	110.8	D359 Y360 T384 N427 L428 I429	D359-E425 WeakPolarHBondContact O-CA 3.06Å; Y360-E425 HydrophobicContact CE1-CG 4.23Å; T384-E425 PolarHBondContact O-N 3.19Å; E425-N427 VanDerWaalsContact C-N 3.35Å; E425-N427 PolarHBondContact O-N 3.34Å; E425-L428 HydrophobicContact CB-CB 4.02Å; E425-L428 WeakPolarHBondContact O-CB 3.44Å; E425-L428 PolarHBondContact O-N 2.71Å; E425-I429 WeakPolarHBondContact O-CG1 3.47Å; E425-I429 PolarHBondContact O-N 3.18Å
426	S	98.2	Very high	97.7	Very high	4 Å²	4	24.5 Å²	24.5	3%	0.028	13%	0.129	C	C	.	.	H	α-helix	trans	-56.3	-47.1	-173.6	59.4	0	0	0	0	112.6	V355 Y358 D359 F361 G424 L428 I429 A430	V355-S426 PolarHBondContact O-OG 3.49Å; Y358-S426 WeakPolarHBondContact O-CB 3.33Å; Y358-S426 PolarHBondContact O-OG 3.12Å; D359-S426 PolarHBondContact O-N 3.18Å; F361-S426 VanDerWaalsContact CD2-CA 3.47Å; F361-S426 WeakPolarHBondContact CD2-O 3.18Å; G424-S426 PolarHBondContact O-N 2.88Å; S426-L428 VanDerWaalsContact C-N 3.31Å; S426-L428 PolarHBondContact O-N 3.07Å; S426-I429 PolarHBondContact O-N 3.03Å; S426-A430 VanDerWaalsContact O-CB 3.28Å; S426-A430 WeakPolarHBondContact O-CB 3.2Å; S426-A430 PolarHBondContact O-N 3.13Å
427	N	98.1	Very high	97.7	Very high	108 Å²	108	23.8 Å²	23.8	58%	0.578	13%	0.126	S	C	*	.	H	α-helix	trans	-60.1	-39.8	176.5	-74.7	-49.4	0	0	0	112.3	V355 E425 K431	V355-N427 HydrophobicContact CG1-CB 4.47Å; V355-N427 WeakPolarHBondContact CG1-OD1 3.4Å; E425-N427 VanDerWaalsContact C-N 3.35Å; E425-N427 PolarHBondContact O-N 3.34Å; N427-K431 WeakPolarHBondContact O-CB 3.12Å; N427-K431 PolarHBondContact O-N 3.02Å
428	L	98.3	Very high	97.8	Very high	25 Å²	25	27.7 Å²	27.7	13%	0.131	15%	0.145	C	C	.	.	H	α-helix	trans	-67.5	-50.2	179	-179.6	59.6	0	0	0	110.7	T384 I385 E425 S426 A430 K431 L432 I489	T384-L428 WeakPolarHBondContact OG1-CD2 3.45Å; I385-L428 HydrophobicContact CB-CD2 4Å; I385-L428 HydrophobicContact CG2-CD2 4.19Å; E425-L428 HydrophobicContact CB-CB 4.02Å; E425-L428 WeakPolarHBondContact O-CB 3.44Å; E425-L428 PolarHBondContact O-N 2.71Å; S426-L428 VanDerWaalsContact C-N 3.31Å; S426-L428 PolarHBondContact O-N 3.07Å; L428-A430 VanDerWaalsContact C-N 3.28Å; L428-A430 PolarHBondContact O-N 2.71Å; L428-K431 WeakPolarHBondContact O-CB 3.15Å; L428-K431 PolarHBondContact O-N 3.38Å; L428-K431 VanDerWaalsContact O-N 3.13Å; L428-L432 HydrophobicContact CD1-CD1 3.93Å; L428-L432 HydrophobicContact CD1-CD2 4.43Å; L428-L432 HydrophobicContact CD1-CG 4.04Å; L428-L432 HydrophobicContact CG-CD1 3.96Å; L428-L432 HydrophobicContact CG-CG 4.41Å; L428-L432 VanDerWaalsContact O-CG 3.27Å; L428-L432 WeakPolarHBondContact O-CG 3.48Å; L428-L432 PolarHBondContact O-N 2.78Å; L428-I489 HydrophobicContact CD1-CD1 3.78Å; L428-I489 HydrophobicContact CD2-CD1 3.8Å; L428-I489 HydrophobicContact CG-CD1 4.17Å
429	I	98.4	Very high	97.9	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-58.5	-42.9	177.1	-63.6	-68	0	0	0	110.7	L243 F361 R363 I385 W422 E425 S426 K431 L432 A433	L243-I429 HydrophobicContact CD1-CG2 4.09Å; F361-I429 HydrophobicContact CB-CB 4.09Å; F361-I429 HydrophobicContact CB-CG1 4.18Å; F361-I429 HydrophobicContact CB-CG2 3.97Å; F361-I429 HydrophobicContact CD2-CB 4.25Å; F361-I429 HydrophobicContact CD2-CG2 4.31Å; R363-I429 HydrophobicContact CB-CG2 4.41Å; I385-I429 HydrophobicContact CD1-CD1 3.51Å; I385-I429 HydrophobicContact CG1-CD1 4.21Å; W422-I429 HydrophobicContact CB-CD1 3.64Å; W422-I429 HydrophobicContact CD2-CD1 4.46Å; W422-I429 HydrophobicContact CE3-CD1 3.88Å; W422-I429 HydrophobicContact CG-CD1 4.45Å; E425-I429 WeakPolarHBondContact O-CG1 3.47Å; E425-I429 PolarHBondContact O-N 3.18Å; S426-I429 PolarHBondContact O-N 3.03Å; I429-K431 VanDerWaalsContact C-N 3.32Å; I429-K431 PolarHBondContact O-N 2.71Å; I429-L432 PolarHBondContact O-N 2.71Å; I429-A433 VanDerWaalsContact O-CB 3.26Å; I429-A433 WeakPolarHBondContact O-CB 3.05Å; I429-A433 PolarHBondContact O-N 3.26Å
430	A	98	Very high	98.1	Very high	21 Å²	21	28.5 Å²	28.5	17%	0.174	15%	0.149	C	C	.	.	H	α-helix	trans	-64.6	-33.3	178	0	0	0	0	0	113.4	F351 V355 S426 L428 P434	F351-A430 HydrophobicContact CE1-CB 3.96Å; F351-A430 HydrophobicContact CZ-CB 3.86Å; V355-A430 HydrophobicContact CG1-CB 4.13Å; V355-A430 HydrophobicContact CG2-CB 3.64Å; S426-A430 VanDerWaalsContact O-CB 3.28Å; S426-A430 WeakPolarHBondContact O-CB 3.2Å; S426-A430 PolarHBondContact O-N 3.13Å; L428-A430 VanDerWaalsContact C-N 3.28Å; L428-A430 PolarHBondContact O-N 2.71Å; A430-P434 WeakPolarHBondContact O-CD 3.46Å
431	K	98	Very high	98.2	Very high	120 Å²	120	30.1 Å²	30.1	52%	0.522	16%	0.157	S	C	.	.	H	α-helix	trans	-70.3	-43.9	172.8	179.3	-174.3	172.7	-171.2	0	111.9	N427 L428 I429 P434	N427-K431 WeakPolarHBondContact O-CB 3.12Å; N427-K431 PolarHBondContact O-N 3.02Å; L428-K431 WeakPolarHBondContact O-CB 3.15Å; L428-K431 PolarHBondContact O-N 3.38Å; L428-K431 VanDerWaalsContact O-N 3.13Å; I429-K431 VanDerWaalsContact C-N 3.32Å; I429-K431 PolarHBondContact O-N 2.71Å; K431-P434 WeakPolarHBondContact O-CD 3.42Å; K431-P434 WeakPolarHBondContact O-CG 3.49Å
432	L	98.6	Very high	98.3	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-77.8	-36.1	-173.4	-63.3	178.3	0	0	0	113.5	I385 W422 L428 I429 I435 A436 V484 L485 Q488 I489	I385-L432 HydrophobicContact CD1-CD1 4.08Å; W422-L432 HydrophobicContact CH2-CB 4.17Å; W422-L432 HydrophobicContact CZ3-CB 3.72Å; W422-L432 HydrophobicContact CZ3-CD1 4.42Å; L428-L432 HydrophobicContact CD1-CD1 3.93Å; L428-L432 HydrophobicContact CD1-CD2 4.43Å; L428-L432 HydrophobicContact CD1-CG 4.04Å; L428-L432 HydrophobicContact CG-CD1 3.96Å; L428-L432 HydrophobicContact CG-CG 4.41Å; L428-L432 VanDerWaalsContact O-CG 3.27Å; L428-L432 WeakPolarHBondContact O-CG 3.48Å; L428-L432 PolarHBondContact O-N 2.78Å; I429-L432 PolarHBondContact O-N 2.71Å; L432-I435 WeakPolarHBondContact O-CB 3.21Å; L432-I435 PolarHBondContact O-N 3.37Å; L432-I435 VanDerWaalsContact O-N 3.12Å; L432-A436 PolarHBondContact O-N 2.74Å; L432-V484 HydrophobicContact CB-CG1 4.14Å; L432-V484 HydrophobicContact CD2-CG1 3.85Å; L432-V484 HydrophobicContact CG-CG1 4.47Å; L432-L485 HydrophobicContact CD1-CD2 4.13Å; L432-Q488 HydrophobicContact CD2-CB 3.37Å; L432-Q488 HydrophobicContact CD2-CG 3.82Å; L432-I489 HydrophobicContact CD1-CD1 3.87Å
433	A	98.2	Very high	98.3	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-52.2	-49.5	-176.7	0	0	0	0	0	114.7	Y343 F345 V346 I429 I435 A436 A437	Y343-A433 HydrophobicContact CD1-CB 3.93Å; Y343-A433 HydrophobicContact CE1-CB 4.15Å; F345-A433 HydrophobicContact CE2-CB 3.72Å; F345-A433 HydrophobicContact CZ-CB 3.84Å; V346-A433 HydrophobicContact CG1-CB 3.6Å; I429-A433 VanDerWaalsContact O-CB 3.26Å; I429-A433 WeakPolarHBondContact O-CB 3.05Å; I429-A433 PolarHBondContact O-N 3.26Å; A433-I435 VanDerWaalsContact C-N 3.34Å; A433-I435 PolarHBondContact O-N 2.81Å; A433-A436 PolarHBondContact O-N 3.36Å; A433-A437 WeakPolarHBondContact O-CB 3.49Å; A433-A437 PolarHBondContact O-N 2.98Å
434	P	97.7	Very high	98.2	Very high	48 Å²	48	34.6 Å²	34.6	31%	0.312	18%	0.175	S	C	.	.	H	α-helix	trans	-66.9	-32.8	177.9	25.2	-34.5	0	0	0	113.1	A430 K431 A437 N438	A430-P434 WeakPolarHBondContact O-CD 3.46Å; K431-P434 WeakPolarHBondContact O-CD 3.42Å; K431-P434 WeakPolarHBondContact O-CG 3.49Å; P434-A437 PolarHBondContact O-N 3.44Å; P434-N438 PolarHBondContact O-N 2.76Å
435	I	98.4	Very high	98.2	Very high	60 Å²	60	38.7 Å²	38.7	31%	0.308	20%	0.197	S	C	.	.	H	α-helix	trans	-66.2	-46.1	175.7	-53.6	174.3	0	0	0	109.4	L432 A433 A437 N438 L439 V484 Q488	L432-I435 WeakPolarHBondContact O-CB 3.21Å; L432-I435 PolarHBondContact O-N 3.37Å; L432-I435 VanDerWaalsContact O-N 3.12Å; A433-I435 VanDerWaalsContact C-N 3.34Å; A433-I435 PolarHBondContact O-N 2.81Å; I435-A437 VanDerWaalsContact C-N 3.33Å; I435-A437 PolarHBondContact O-N 3.24Å; I435-N438 PolarHBondContact O-N 3.5Å; I435-L439 WeakPolarHBondContact O-CB 3.44Å; I435-L439 PolarHBondContact O-N 3.21Å; I435-V484 HydrophobicContact CB-CG1 4.38Å; I435-V484 HydrophobicContact CB-CG2 4.28Å; I435-V484 HydrophobicContact CG2-CG1 4.34Å; I435-V484 HydrophobicContact CG2-CG2 3.7Å; I435-Q488 HydrophobicContact CD1-CG 4.26Å
436	A	98.4	Very high	98.1	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-61.6	-41.6	176.7	0	0	0	0	0	111.5	Y343 W422 L432 A433 L439 T440 V484	Y343-A436 HydrophobicContact CE1-CB 4.14Å; Y343-A436 HydrophobicContact CE2-CB 4.45Å; W422-A436 HydrophobicContact CH2-CB 3.89Å; L432-A436 PolarHBondContact O-N 2.74Å; A433-A436 PolarHBondContact O-N 3.36Å; A436-L439 PolarHBondContact O-N 3.03Å; A436-T440 WeakPolarHBondContact O-CB 3.41Å; A436-T440 PolarHBondContact O-N 3.5Å; A436-T440 PolarHBondContact O-OG1 3.35Å; A436-V484 HydrophobicContact CB-CG2 4.21Å
437	A	98	Very high	98.1	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-60.3	-50	175.9	0	0	0	0	0	111.9	F333 I340 Y343 A433 P434 I435 L439 T440 M441	F333-A437 HydrophobicContact CE1-CB 4.49Å; F333-A437 HydrophobicContact CZ-CB 3.94Å; I340-A437 HydrophobicContact CD1-CB 3.87Å; I340-A437 WeakPolarHBondContact CD1-O 3.49Å; Y343-A437 HydrophobicContact CD2-CB 4.38Å; Y343-A437 HydrophobicContact CG-CB 4.14Å; A433-A437 WeakPolarHBondContact O-CB 3.49Å; A433-A437 PolarHBondContact O-N 2.98Å; P434-A437 PolarHBondContact O-N 3.44Å; I435-A437 VanDerWaalsContact C-N 3.33Å; I435-A437 PolarHBondContact O-N 3.24Å; A437-L439 PolarHBondContact O-N 3.07Å; A437-T440 WeakPolarHBondContact O-CB 3.47Å; A437-T440 PolarHBondContact O-N 3.02Å; A437-M441 PolarHBondContact O-N 2.72Å; A437-M441 VanDerWaalsContact O-N 3.16Å
438	N	98.2	Very high	98.1	Very high	103 Å²	103	32.7 Å²	32.7	55%	0.551	17%	0.166	S	C	*	.	H	α-helix	trans	-61.9	-45.4	179	-73	-15.3	0	0	0	112.3	P434 I435 T440 M441 Y442	P434-N438 PolarHBondContact O-N 2.76Å; I435-N438 PolarHBondContact O-N 3.5Å; N438-T440 VanDerWaalsContact C-N 3.3Å; N438-T440 PolarHBondContact O-N 2.82Å; N438-M441 PolarHBondContact O-N 2.75Å; N438-M441 WeakPolarHBondContact OD1-CE 3.27Å; N438-Y442 PolarHBondContact O-N 3.37Å; N438-Y442 VanDerWaalsContact O-N 3.08Å
439	L	98.5	Very high	97.9	Very high	19 Å²	19	34.8 Å²	34.8	10%	0.099	18%	0.178	C	C	.	.	H	α-helix	trans	-67.3	-32.9	179.1	-174.6	57.8	0	0	0	112.2	L408 L410 I435 A436 A437 Y442 I443 A480 L483 V484	L408-L439 HydrophobicContact CD1-CD1 3.61Å; L410-L439 HydrophobicContact CD1-CD2 4.02Å; I435-L439 WeakPolarHBondContact O-CB 3.44Å; I435-L439 PolarHBondContact O-N 3.21Å; A436-L439 PolarHBondContact O-N 3.03Å; A437-L439 PolarHBondContact O-N 3.07Å; L439-Y442 HydrophobicContact CD1-CD1 4.07Å; L439-Y442 PolarHBondContact O-N 3.36Å; L439-I443 HydrophobicContact CD1-CD1 4.32Å; L439-I443 HydrophobicContact CD1-CG1 4.22Å; L439-I443 HydrophobicContact CG-CD1 4.02Å; L439-I443 HydrophobicContact CG-CG1 4.35Å; L439-I443 WeakPolarHBondContact O-CB 3.02Å; L439-I443 VanDerWaalsContact O-CG1 3.31Å; L439-I443 WeakPolarHBondContact O-CG1 3.13Å; L439-I443 PolarHBondContact O-N 2.98Å; L439-A480 HydrophobicContact CB-CB 3.99Å; L439-A480 HydrophobicContact CD2-CB 4.3Å; L439-A480 HydrophobicContact CG-CB 3.92Å; L439-L483 HydrophobicContact CD2-CB 3.63Å; L439-L483 HydrophobicContact CD2-CD1 4.08Å; L439-L483 HydrophobicContact CD2-CG 4.44Å; L439-V484 HydrophobicContact CB-CG2 4.47Å; L439-V484 HydrophobicContact CD2-CG2 3.87Å
440	T	98.5	Very high	97.8	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-59.8	-48.3	173.9	-65.6	0	0	0	0	111.5	Y337 I340 A436 A437 N438 I443 F444 S477 A480	Y337-T440 HydrophobicContact CD1-CG2 3.55Å; Y337-T440 HydrophobicContact CE1-CG2 3.31Å; I340-T440 HydrophobicContact CD1-CG2 3.64Å; A436-T440 WeakPolarHBondContact O-CB 3.41Å; A436-T440 PolarHBondContact O-N 3.5Å; A436-T440 PolarHBondContact O-OG1 3.35Å; A437-T440 WeakPolarHBondContact O-CB 3.47Å; A437-T440 PolarHBondContact O-N 3.02Å; N438-T440 VanDerWaalsContact C-N 3.3Å; N438-T440 PolarHBondContact O-N 2.82Å; T440-I443 PolarHBondContact O-N 2.86Å; T440-F444 WeakPolarHBondContact O-CB 3.36Å; T440-F444 PolarHBondContact O-N 3.27Å; T440-S477 WeakPolarHBondContact OG1-CA 3.18Å; T440-A480 WeakPolarHBondContact OG1-CB 3.36Å
441	M	98.3	Very high	97.7	Very high	37 Å²	37	44.5 Å²	44.5	18%	0.182	22%	0.22	C	C	.	.	H	α-helix	trans	-61.7	-47.4	177.3	-67.5	-176.4	-71.1	0	0	110.6	F333 H335 I340 A437 N438 I443 F444 D445	F333-M441 HydrophobicContact CD1-CE 4.31Å; F333-M441 HydrophobicContact CD1-SD 4.28Å; F333-M441 HydrophobicContact CE1-CE 4.48Å; H335-M441 HydrophobicContact CB-SD 4.22Å; I340-M441 HydrophobicContact CD1-CG 3.89Å; I340-M441 HydrophobicContact CG1-CG 3.81Å; I340-M441 HydrophobicContact CG1-SD 4.21Å; A437-M441 PolarHBondContact O-N 2.72Å; A437-M441 VanDerWaalsContact O-N 3.16Å; N438-M441 PolarHBondContact O-N 2.75Å; N438-M441 WeakPolarHBondContact OD1-CE 3.27Å; M441-I443 PolarHBondContact O-N 2.82Å; M441-F444 PolarHBondContact O-N 2.78Å; M441-D445 PolarHBondContact O-N 3.26Å
442	Y	98.3	Very high	97.6	Very high	73 Å²	73	43.8 Å²	43.8	29%	0.286	22%	0.217	S	C	.	.	H	α-helix	trans	-55.3	-50.6	176	172.1	-88.3	0	0	0	112.4	L408 N438 L439 F444 D445 N446 E447	L408-Y442 HydrophobicContact CD1-CD1 4.11Å; L408-Y442 HydrophobicContact CD1-CE1 3.82Å; L408-Y442 HydrophobicContact CD2-CE1 3.9Å; L408-Y442 HydrophobicContact CD2-CE2 4.41Å; L408-Y442 HydrophobicContact CG-CE1 4.34Å; N438-Y442 PolarHBondContact O-N 3.37Å; N438-Y442 VanDerWaalsContact O-N 3.08Å; L439-Y442 HydrophobicContact CD1-CD1 4.07Å; L439-Y442 PolarHBondContact O-N 3.36Å; Y442-F444 VanDerWaalsContact C-N 3.35Å; Y442-F444 PolarHBondContact O-N 3.38Å; Y442-D445 PolarHBondContact O-N 1.99Å; Y442-N446 HydrophobicContact CE1-CB 4.4Å; Y442-N446 HydrophobicContact CE2-CB 4.13Å; Y442-N446 VanDerWaalsContact O-CB 3.31Å; Y442-N446 WeakPolarHBondContact O-CB 3.18Å; Y442-N446 PolarHBondContact O-N 3.49Å; Y442-N446 PolarHBondContact O-ND2 3.12Å; Y442-E447 HydrophobicContact CE1-CG 3.99Å; Y442-E447 WeakPolarHBondContact CE1-OE1 3.46Å; Y442-E447 PolarHBondContact OH-OE1 2.9Å
443	I	98.3	Very high	97.4	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-60.5	-46.4	-179.2	-74.1	176.2	0	0	0	110.4	L439 T440 M441 D445 N446 E447 F448 Y479 A480 L483	L439-I443 HydrophobicContact CD1-CD1 4.32Å; L439-I443 HydrophobicContact CD1-CG1 4.22Å; L439-I443 HydrophobicContact CG-CD1 4.02Å; L439-I443 HydrophobicContact CG-CG1 4.35Å; L439-I443 WeakPolarHBondContact O-CB 3.02Å; L439-I443 VanDerWaalsContact O-CG1 3.31Å; L439-I443 WeakPolarHBondContact O-CG1 3.13Å; L439-I443 PolarHBondContact O-N 2.98Å; T440-I443 PolarHBondContact O-N 2.86Å; M441-I443 PolarHBondContact O-N 2.82Å; I443-D445 VanDerWaalsContact C-N 3.31Å; I443-D445 PolarHBondContact O-N 3.48Å; I443-N446 PolarHBondContact O-N 2.93Å; I443-E447 HydrophobicContact CB-CG 4.43Å; I443-E447 HydrophobicContact CG1-CG 4.28Å; I443-E447 HydrophobicContact CG2-CB 4.22Å; I443-E447 WeakPolarHBondContact O-CB 3.29Å; I443-E447 PolarHBondContact O-N 3.2Å; I443-F448 HydrophobicContact CG2-CE2 3.82Å; I443-F448 HydrophobicContact CG2-CZ 4.25Å; I443-F448 VanDerWaalsContact O-CD2 3.3Å; I443-F448 WeakPolarHBondContact O-CD2 3.48Å; I443-F448 WeakPolarHBondContact O-CE2 3.37Å; I443-Y479 HydrophobicContact CG2-CD2 4.27Å; I443-A480 HydrophobicContact CD1-CB 3.95Å; I443-L483 HydrophobicContact CD1-CD1 4Å
444	F	98.2	Very high	97.3	Very high	24 Å²	24	48.4 Å²	48.4	11%	0.105	24%	0.244	C	C	.	.	H	α-helix	trans	-60.2	-40.9	-179.2	-177.5	-90.7	0	0	0	112.8	H335 N336 Y337 T440 M441 Y442 K473	H335-F444 AromaticContact CE1-CD1 3.66Å; N336-F444 HydrophobicContact CB-CE1 4.07Å; Y337-F444 HydrophobicContact CD1-CD2 4.26Å; Y337-F444 AromaticContact CD2-CD2 3.38Å; Y337-F444 HydrophobicContact CD2-CD2 3.38Å; Y337-F444 AromaticContact CD2-CE2 3.32Å; Y337-F444 HydrophobicContact CD2-CE2 3.32Å; Y337-F444 HydrophobicContact CD2-CG 4.27Å; Y337-F444 HydrophobicContact CD2-CZ 4.18Å; Y337-F444 HydrophobicContact CE2-CD2 4.08Å; Y337-F444 HydrophobicContact CE2-CE2 4.18Å; Y337-F444 HydrophobicContact CG-CB 4.37Å; Y337-F444 AromaticContact CG-CD2 3.46Å; Y337-F444 HydrophobicContact CG-CD2 3.46Å; Y337-F444 VanDerWaalsContact CG-CD2 3.46Å; Y337-F444 AromaticContact CG-CE2 3.73Å; Y337-F444 HydrophobicContact CG-CE2 3.73Å; Y337-F444 AromaticContact CG-CG 3.89Å; Y337-F444 HydrophobicContact CG-CG 3.89Å; Y337-F444 HydrophobicContact CG-CZ 4.37Å; T440-F444 WeakPolarHBondContact O-CB 3.36Å; T440-F444 PolarHBondContact O-N 3.27Å; M441-F444 PolarHBondContact O-N 2.78Å; Y442-F444 VanDerWaalsContact C-N 3.35Å; Y442-F444 PolarHBondContact O-N 3.38Å; F444-K473 HydrophobicContact CD2-CD 4.36Å; F444-K473 HydrophobicContact CD2-CG 3.74Å; F444-K473 HydrophobicContact CE2-CD 4.05Å; F444-K473 VanDerWaalsContact CE2-CE 3.43Å; F444-K473 HydrophobicContact CE2-CG 3.65Å; F444-K473 HydrophobicContact CZ-CD 4.39Å; F444-K473 VanDerWaalsContact CZ-CE 3.46Å; F444-K473 HydrophobicContact CZ-CG 4.45Å; F444-K473 WeakPolarHBondContact O-CE 3.42Å; F444-K473 PolarHBondContact O-NZ 3.45Å
445	D	97.3	Very high	97.2	Very high	86 Å²	86	50.5 Å²	50.5	46%	0.46	25%	0.249	S	C	.	.	H	α-helix	trans	-78.5	-34.9	-177.3	-73.9	-15.7	0	0	0	112.7	H335 M441 Y442 I443	H335-D445 IonicContact CE1-OD1 3.5Å; H335-D445 IonicContact NE2-OD1 3.87Å; H335-D445 PolarHBondContact NE2-OD1 3.34Å; H335-D445 IonicContact NE2-OD2 3.88Å; H335-D445 PolarHBondContact NE2-OD2 3.25Å; M441-D445 PolarHBondContact O-N 3.26Å; Y442-D445 PolarHBondContact O-N 1.99Å; I443-D445 VanDerWaalsContact C-N 3.31Å; I443-D445 PolarHBondContact O-N 3.48Å
446	N	97.3	Very high	97.1	Very high	59 Å²	59	47.6 Å²	47.6	32%	0.316	24%	0.235	S	C	.	.	H	α-helix	trans	-112.6	-29.1	-164.7	-64.3	-84.1	0	0	0	114.6	Y442 I443 Y453	Y442-N446 HydrophobicContact CE1-CB 4.4Å; Y442-N446 HydrophobicContact CE2-CB 4.13Å; Y442-N446 VanDerWaalsContact O-CB 3.31Å; Y442-N446 WeakPolarHBondContact O-CB 3.18Å; Y442-N446 PolarHBondContact O-N 3.49Å; Y442-N446 PolarHBondContact O-ND2 3.12Å; I443-N446 PolarHBondContact O-N 2.93Å; N446-Y453 WeakPolarHBondContact O-CE2 3.24Å
447	E	97.3	Very high	97	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.7	9.2	-164.1	-61.3	-63.3	157.7	0	0	114.2	R400 I404 R407 Y442 I443 Y453 W471	R400-E447 PolarHBondContact NH2-O 2.93Å; R400-E447 IonicContact NH2-OE2 2.62Å; I404-E447 HydrophobicContact CD1-CB 4.13Å; I404-E447 HydrophobicContact CD1-CG 4.01Å; I404-E447 HydrophobicContact CG1-CG 4.27Å; I404-E447 WeakPolarHBondContact CG1-OE2 3.49Å; R407-E447 IonicContact CZ-OE2 2.7Å; R407-E447 IonicContact NH2-OE1 3.62Å; R407-E447 IonicContact NH2-OE2 3.96Å; R407-E447 PolarHBondContact NH2-OE2 3.44Å; Y442-E447 HydrophobicContact CE1-CG 3.99Å; Y442-E447 WeakPolarHBondContact CE1-OE1 3.46Å; Y442-E447 PolarHBondContact OH-OE1 2.9Å; I443-E447 HydrophobicContact CB-CG 4.43Å; I443-E447 HydrophobicContact CG1-CG 4.28Å; I443-E447 HydrophobicContact CG2-CB 4.22Å; I443-E447 WeakPolarHBondContact O-CB 3.29Å; I443-E447 PolarHBondContact O-N 3.2Å; E447-Y453 PolarHBondContact OE2-OH 3.47Å; E447-W471 HydrophobicContact CB-CZ2 4.33Å; E447-W471 PolarHBondContact O-NE1 3.24Å
448	F	97.1	Very high	96.9	Very high	11 Å²	11	57.4 Å²	57.4	5%	0.048	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121	5.4	178.5	-59.3	-83.2	0	0	0	113.9	I443 T450 F460 W471 K473 S476 Y479	I443-F448 HydrophobicContact CG2-CE2 3.82Å; I443-F448 HydrophobicContact CG2-CZ 4.25Å; I443-F448 VanDerWaalsContact O-CD2 3.3Å; I443-F448 WeakPolarHBondContact O-CD2 3.48Å; I443-F448 WeakPolarHBondContact O-CE2 3.37Å; F448-T450 PolarHBondContact O-N 3.45Å; F448-F460 HydrophobicContact CB-CZ 3.94Å; F448-F460 HydrophobicContact CD1-CE2 4.44Å; F448-F460 AromaticContact CD1-CZ 3.8Å; F448-F460 HydrophobicContact CD1-CZ 3.8Å; F448-F460 HydrophobicContact CG-CZ 4.32Å; F448-W471 AromaticContact CD1-CD1 3.38Å; F448-W471 HydrophobicContact CD1-CG 4.31Å; F448-W471 AromaticContact CD1-NE1 3.22Å; F448-W471 AromaticContact CE1-CD1 3.51Å; F448-W471 HydrophobicContact CE1-CD2 4.14Å; F448-W471 AromaticContact CE1-CE2 3.66Å; F448-W471 HydrophobicContact CE1-CG 4.04Å; F448-W471 HydrophobicContact CE1-CZ2 4.3Å; F448-W471 AromaticContact CE1-NE1 3.25Å; F448-W471 VanDerWaalsContact CE1-NE1 3.25Å; F448-W471 HydrophobicContact CZ-CZ2 4.36Å; F448-K473 HydrophobicContact CB-CD 4.15Å; F448-K473 HydrophobicContact CD1-CB 3.85Å; F448-K473 HydrophobicContact CD1-CG 4.26Å; F448-K473 HydrophobicContact CD2-CB 4.3Å; F448-K473 HydrophobicContact CD2-CD 4.17Å; F448-K473 HydrophobicContact CD2-CG 3.82Å; F448-K473 VanDerWaalsContact CE1-CA 3.43Å; F448-K473 HydrophobicContact CE1-CB 3.91Å; F448-K473 HydrophobicContact CE1-CG 4.43Å; F448-K473 HydrophobicContact CE2-CB 4.36Å; F448-K473 HydrophobicContact CE2-CG 4.03Å; F448-K473 HydrophobicContact CG-CB 4.05Å; F448-K473 HydrophobicContact CG-CD 4.08Å; F448-K473 HydrophobicContact CG-CG 3.94Å; F448-K473 HydrophobicContact CZ-CB 4.18Å; F448-K473 HydrophobicContact CZ-CG 4.33Å; F448-S476 WeakPolarHBondContact CE2-OG 3.14Å; F448-Y479 HydrophobicContact CE1-CE2 4.14Å; F448-Y479 AromaticContact CZ-CD2 3.99Å; F448-Y479 HydrophobicContact CZ-CD2 3.99Å; F448-Y479 AromaticContact CZ-CE2 3.8Å; F448-Y479 HydrophobicContact CZ-CE2 3.8Å
449	D	95.1	Very high	96.8	Very high	70 Å²	70	54.8 Å²	54.8	37%	0.374	27%	0.274	S	S	.	.			trans	-73.5	112.2	178.2	-179.7	0.2	0	0	0	111.1	K451 K452 Y453	D449-K451 VanDerWaalsContact C-N 3.27Å; D449-K451 PolarHBondContact O-N 2.9Å; D449-K451 WeakPolarHBondContact OD1-CA 3.48Å; D449-K451 VanDerWaalsContact OD1-CB 3.3Å; D449-K451 WeakPolarHBondContact OD1-CB 2.97Å; D449-K451 PolarHBondContact OD1-N 2.86Å; D449-K452 HydrophobicContact CB-CB 3.94Å; D449-K452 PolarHBondContact O-N 3.38Å; D449-K452 PolarHBondContact OD1-N 3.17Å; D449-Y453 WeakPolarHBondContact O-CB 2.71Å; D449-Y453 WeakPolarHBondContact O-CD2 3.32Å; D449-Y453 PolarHBondContact O-N 3.43Å
450	T	95.9	Very high	96.7	Very high	42 Å²	42	55.5 Å²	55.5	26%	0.258	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-14.2	179.9	59.4	0	0	0	0	113.9	F448 Y453 P454 L456 F460	F448-T450 PolarHBondContact O-N 3.45Å; T450-Y453 CarbonylContact O-C 3.54Å; T450-P454 WeakPolarHBondContact O-CA 3.31Å; T450-L456 HydrophobicContact CG2-CB 4.01Å; T450-F460 HydrophobicContact CG2-CB 3.96Å; T450-F460 HydrophobicContact CG2-CD1 4.46Å; T450-F460 HydrophobicContact CG2-CD2 3.99Å; T450-F460 HydrophobicContact CG2-CG 3.88Å
451	K	95.3	Very high	96.4	Very high	183 Å²	183	59.8 Å²	59.8	80%	0.796	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-45.7	170.4	-61.7	-177.4	179.4	178.9	0	110.2	D449	D449-K451 VanDerWaalsContact C-N 3.27Å; D449-K451 PolarHBondContact O-N 2.9Å; D449-K451 WeakPolarHBondContact OD1-CA 3.48Å; D449-K451 VanDerWaalsContact OD1-CB 3.3Å; D449-K451 WeakPolarHBondContact OD1-CB 2.97Å; D449-K451 PolarHBondContact OD1-N 2.86Å
452	K	96	Very high	96.1	Very high	105 Å²	105	66.5 Å²	66.5	46%	0.457	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-34.7	175.9	-170.9	178.9	179.4	-165.7	0	112.3	D449	D449-K452 HydrophobicContact CB-CB 3.94Å; D449-K452 PolarHBondContact O-N 3.38Å; D449-K452 PolarHBondContact OD1-N 3.17Å
453	Y	96.1	Very high	95.9	Very high	22 Å²	22	64.7 Å²	64.7	9%	0.086	34%	0.335	C	S	.	.			trans	-126.4	81.4	-178.1	-56.9	-68.2	0	0	0	110.9	N446 E447 D449 T450 E455 L456	N446-Y453 WeakPolarHBondContact O-CE2 3.24Å; E447-Y453 PolarHBondContact OE2-OH 3.47Å; D449-Y453 WeakPolarHBondContact O-CB 2.71Å; D449-Y453 WeakPolarHBondContact O-CD2 3.32Å; D449-Y453 PolarHBondContact O-N 3.43Å; T450-Y453 CarbonylContact O-C 3.54Å; Y453-E455 VanDerWaalsContact CA-OE2 3.29Å; Y453-E455 WeakPolarHBondContact CA-OE2 3.5Å; Y453-E455 PolarHBondContact O-N 3.35Å; Y453-E455 VanDerWaalsContact O-N 3.12Å; Y453-L456 HydrophobicContact CD2-CD1 4.37Å; Y453-L456 HydrophobicContact CG-CD1 4.47Å; Y453-L456 WeakPolarHBondContact O-CB 3.35Å; Y453-L456 PolarHBondContact O-N 3.3Å
454	P	95.9	Very high	95.7	Very high	74 Å²	74	72.6 Å²	72.6	48%	0.481	37%	0.369	S	S	.	.	G	3₁₀ helix	trans	-57.9	-26.3	-176.8	-26.3	35.7	0	0	0	114.6	T450 L456 K457	T450-P454 WeakPolarHBondContact O-CA 3.31Å; P454-L456 PolarHBondContact O-N 2.93Å; P454-K457 WeakPolarHBondContact O-CB 3.42Å; P454-K457 VanDerWaalsContact O-CG 3.3Å; P454-K457 WeakPolarHBondContact O-CG 3.48Å; P454-K457 PolarHBondContact O-N 2.88Å
455	E	95.3	Very high	95.5	Very high	92 Å²	92	75 Å²	75	43%	0.43	38%	0.381	S	S	.	.	G	3₁₀ helix	trans	-63	-18.9	175.9	75	-79.7	-168.9	0	0	113.2	F396 R400 Y453 K457	F396-E455 HydrophobicContact CE2-CG 4.43Å; F396-E455 HydrophobicContact CZ-CG 4.37Å; R400-E455 IonicContact CZ-OE1 3.18Å; R400-E455 IonicContact NH1-OE1 2.89Å; R400-E455 PolarHBondContact NH1-OE1 2.84Å; Y453-E455 VanDerWaalsContact CA-OE2 3.29Å; Y453-E455 WeakPolarHBondContact CA-OE2 3.5Å; Y453-E455 PolarHBondContact O-N 3.35Å; Y453-E455 VanDerWaalsContact O-N 3.12Å; E455-K457 VanDerWaalsContact C-N 3.34Å
456	L	96.7	Very high	95.4	Very high	0 Å²	0	71 Å²	71	0%	0	36%	0.36	C	S	.	.	G	3₁₀ helix	trans	-77.1	-17.3	177.6	-65.1	-173.4	0	0	0	113.8	F396 T450 Y453 P454 A458 Y459 F460 W471	F396-L456 HydrophobicContact CE1-CD2 3.85Å; F396-L456 HydrophobicContact CZ-CD2 3.66Å; T450-L456 HydrophobicContact CG2-CB 4.01Å; Y453-L456 HydrophobicContact CD2-CD1 4.37Å; Y453-L456 HydrophobicContact CG-CD1 4.47Å; Y453-L456 WeakPolarHBondContact O-CB 3.35Å; Y453-L456 PolarHBondContact O-N 3.3Å; P454-L456 PolarHBondContact O-N 2.93Å; L456-A458 PolarHBondContact O-N 3.34Å; L456-A458 VanDerWaalsContact O-N 3.08Å; L456-Y459 HydrophobicContact CD2-CD2 4.43Å; L456-Y459 PolarHBondContact O-N 3.32Å; L456-F460 HydrophobicContact CB-CD2 4.23Å; L456-F460 HydrophobicContact CB-CE2 4.35Å; L456-F460 HydrophobicContact CD1-CE2 4.49Å; L456-F460 WeakPolarHBondContact O-CD2 3.32Å; L456-F460 PolarHBondContact O-N 2.77Å; L456-W471 VanDerWaalsContact CD2-CD1 3.5Å; L456-W471 HydrophobicContact CD2-CG 4.05Å
457	K	96	Very high	95.3	Very high	131 Å²	131	70.1 Å²	70.1	57%	0.57	36%	0.357	S	S	*	.	G	3₁₀ helix	trans	-52.5	-38.8	-172.6	-73.6	176.3	-179.5	179.3	0	113.1	P454 E455 Y459 F460 S461	P454-K457 WeakPolarHBondContact O-CB 3.42Å; P454-K457 VanDerWaalsContact O-CG 3.3Å; P454-K457 WeakPolarHBondContact O-CG 3.48Å; P454-K457 PolarHBondContact O-N 2.88Å; E455-K457 VanDerWaalsContact C-N 3.34Å; K457-Y459 VanDerWaalsContact C-N 3.26Å; K457-Y459 PolarHBondContact O-N 3.4Å; K457-F460 PolarHBondContact O-N 2.77Å; K457-S461 PolarHBondContact O-N 2.77Å
458	A	95.3	Very high	95.1	Very high	74 Å²	74	75.8 Å²	75.8	61%	0.612	38%	0.378	S	S	*	.	G	3₁₀ helix	trans	-63.1	-29.2	179.6	0	0	0	0	0	113.7	L456 S461	L456-A458 PolarHBondContact O-N 3.34Å; L456-A458 VanDerWaalsContact O-N 3.08Å; A458-S461 PolarHBondContact O-OG 3.37Å
459	Y	95.7	Very high	95	Very high	48 Å²	48	77.2 Å²	77.2	19%	0.188	39%	0.388	C	S	.	.	G	3₁₀ helix	trans	-87.2	-10.1	179.2	-56.5	-64.7	0	0	0	113	F396 L456 K457 G466 T467 H470	F396-Y459 HydrophobicContact CD1-CD2 4.4Å; F396-Y459 AromaticContact CD1-CE2 3.72Å; F396-Y459 HydrophobicContact CD1-CE2 3.72Å; F396-Y459 AromaticContact CD2-CE2 3.76Å; F396-Y459 HydrophobicContact CD2-CE2 3.76Å; F396-Y459 AromaticContact CD2-CZ 3.95Å; F396-Y459 WeakPolarHBondContact CD2-OH 3.41Å; F396-Y459 HydrophobicContact CE1-CD2 4.01Å; F396-Y459 AromaticContact CE1-CE2 3.58Å; F396-Y459 HydrophobicContact CE1-CE2 3.58Å; F396-Y459 AromaticContact CE2-CE2 3.62Å; F396-Y459 HydrophobicContact CE2-CE2 3.62Å; F396-Y459 AromaticContact CG-CE2 3.81Å; F396-Y459 HydrophobicContact CG-CE2 3.81Å; F396-Y459 AromaticContact CG-CZ 3.81Å; F396-Y459 WeakPolarHBondContact CG-OH 3.42Å; F396-Y459 HydrophobicContact CZ-CD2 4.14Å; F396-Y459 AromaticContact CZ-CE2 3.55Å; F396-Y459 HydrophobicContact CZ-CE2 3.55Å; L456-Y459 HydrophobicContact CD2-CD2 4.43Å; L456-Y459 PolarHBondContact O-N 3.32Å; K457-Y459 VanDerWaalsContact C-N 3.26Å; K457-Y459 PolarHBondContact O-N 3.4Å; Y459-G466 CarbonylContact O-C 3.54Å; Y459-G466 WeakPolarHBondContact O-CA 3.37Å; Y459-T467 WeakPolarHBondContact CA-OG1 3.43Å; Y459-T467 PolarHBondContact O-N 3.49Å; Y459-T467 PolarHBondContact O-OG1 2.76Å; Y459-H470 HydrophobicContact CD1-CB 3.57Å; Y459-H470 HydrophobicContact CE1-CB 3.45Å; Y459-H470 VanDerWaalsContact CE1-CB 3.45Å; Y459-H470 AromaticContact CE1-CG 3.59Å; Y459-H470 AromaticContact CE1-ND1 3.96Å; Y459-H470 HydrophobicContact CG-CB 4.37Å
460	F	96.2	Very high	94.9	Very high	35 Å²	35	77.2 Å²	77.2	15%	0.154	39%	0.386	C	S	.	.	S	Bend	trans	-112.3	7.6	-175.4	-79.5	-100.4	0	0	0	113.2	F448 T450 L456 K457 S463 K464	F448-F460 HydrophobicContact CB-CZ 3.94Å; F448-F460 HydrophobicContact CD1-CE2 4.44Å; F448-F460 AromaticContact CD1-CZ 3.8Å; F448-F460 HydrophobicContact CD1-CZ 3.8Å; F448-F460 HydrophobicContact CG-CZ 4.32Å; T450-F460 HydrophobicContact CG2-CB 3.96Å; T450-F460 HydrophobicContact CG2-CD1 4.46Å; T450-F460 HydrophobicContact CG2-CD2 3.99Å; T450-F460 HydrophobicContact CG2-CG 3.88Å; L456-F460 HydrophobicContact CB-CD2 4.23Å; L456-F460 HydrophobicContact CB-CE2 4.35Å; L456-F460 HydrophobicContact CD1-CE2 4.49Å; L456-F460 WeakPolarHBondContact O-CD2 3.32Å; L456-F460 PolarHBondContact O-N 2.77Å; K457-F460 PolarHBondContact O-N 2.77Å; F460-S463 WeakPolarHBondContact CA-O 3.34Å; F460-K464 VanDerWaalsContact CE1-O 3.3Å; F460-K464 WeakPolarHBondContact CE1-O 3.01Å
461	S	92.7	Very high	94.9	Very high	90 Å²	90	75.2 Å²	75.2	63%	0.629	37%	0.374	S	S	*	.	S	Bend	trans	-65.1	-43	179.4	51.3	0	0	0	0	112.6	K457 A458	K457-S461 PolarHBondContact O-N 2.77Å; A458-S461 PolarHBondContact O-OG 3.37Å
462	E	92	Very high	95	Very high	177 Å²	177	69.7 Å²	69.7	83%	0.827	35%	0.348	S	S	*	.	S	Bend	trans	-94.8	-19.6	-175.7	-64.6	178.7	-178.9	0	0	113.2
463	S	94.4	Very high	95.1	Very high	35 Å²	35	67 Å²	67	25%	0.245	34%	0.336	C	S	.	.			trans	-151.3	132.6	-174.4	174.6	0	0	0	0	111.7	F460 H465 G466	F460-S463 WeakPolarHBondContact CA-O 3.34Å; S463-H465 PolarHBondContact O-N 2.97Å; S463-H465 WeakPolarHBondContact OG-CB 3.13Å; S463-H465 PolarHBondContact OG-N 3.22Å; S463-H465 VanDerWaalsContact OG-N 3.07Å; S463-G466 WeakPolarHBondContact CB-O 3.2Å; S463-G466 PolarHBondContact O-N 3.5Å
464	K	93.3	Very high	95	Very high	166 Å²	166	67.6 Å²	67.6	72%	0.722	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-10.3	170	70.4	179.4	-179.7	-177.8	0	113.6	F460	F460-K464 VanDerWaalsContact CE1-O 3.3Å; F460-K464 WeakPolarHBondContact CE1-O 3.01Å
465	H	94.8	Very high	95	Very high	74 Å²	74	65 Å²	65	34%	0.343	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.8	-5.4	178.5	-62.4	-63.7	0	0	0	113.1	S463 W472 K473 P474	S463-H465 PolarHBondContact O-N 2.97Å; S463-H465 WeakPolarHBondContact OG-CB 3.13Å; S463-H465 PolarHBondContact OG-N 3.22Å; S463-H465 VanDerWaalsContact OG-N 3.07Å; H465-W472 HydrophobicContact CB-CE3 4.12Å; H465-W472 HydrophobicContact CB-CH2 3.78Å; H465-W472 HydrophobicContact CB-CZ2 4.37Å; H465-W472 HydrophobicContact CB-CZ3 3.64Å; H465-K473 VanDerWaalsContact O-CB 3.27Å; H465-K473 WeakPolarHBondContact O-CB 3.08Å; H465-K473 PolarHBondContact O-N 3.48Å; H465-P474 HydrophobicContact CB-CG 4.16Å
466	G	95.6	Very high	95.1	Very high	2 Å²	2	60.6 Å²	60.6	2%	0.021	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	94.7	-164.6	-175.4	0	0	0	0	0	112.8	Y459 S463 W471 W472	Y459-G466 CarbonylContact O-C 3.54Å; Y459-G466 WeakPolarHBondContact O-CA 3.37Å; S463-G466 WeakPolarHBondContact CB-O 3.2Å; S463-G466 PolarHBondContact O-N 3.5Å; G466-W471 WeakPolarHBondContact CA-O 3.4Å; G466-W472 VanDerWaalsContact O-CE3 3.25Å; G466-W472 WeakPolarHBondContact O-CZ3 3.1Å
467	T	95.5	Very high	95.1	Very high	41 Å²	41	61.3 Å²	61.3	25%	0.252	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	125.6	177.2	-51.3	0	0	0	0	109.9	Y459 H470 W471	Y459-T467 WeakPolarHBondContact CA-OG1 3.43Å; Y459-T467 PolarHBondContact O-N 3.49Å; Y459-T467 PolarHBondContact O-OG1 2.76Å; T467-H470 PolarHBondContact O-N 3.32Å; T467-W471 PolarHBondContact N-O 3.2Å; T467-W471 PolarHBondContact O-N 3.41Å
468	W	93.1	Very high	95.2	Very high	120 Å²	120	56.2 Å²	56.2	46%	0.455	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.6	139.5	169.5	174.8	-97.8	0	0	0	111.1	W472 V475	W468-W472 HydrophobicContact CB-CB 4.37Å; W468-W472 HydrophobicContact CB-CD2 4.13Å; W468-W472 HydrophobicContact CB-CE3 4.37Å; W468-W472 HydrophobicContact CB-CG 4.13Å; W468-W472 HydrophobicContact CE3-CB 3.95Å; W468-W472 AromaticContact CE3-CD1 3.68Å; W468-W472 AromaticContact CE3-CG 3.97Å; W468-W472 HydrophobicContact CE3-CG 3.97Å; W468-V475 HydrophobicContact CE3-CG2 4.5Å; W468-V475 HydrophobicContact CZ3-CG1 3.89Å; W468-V475 HydrophobicContact CZ3-CG2 4.01Å
469	P	93.5	Very high	95.3	Very high	40 Å²	40	52.7 Å²	52.7	26%	0.26	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	cis	-90.7	11.3	-5.3	34.3	-32.1	0	0	0	114.1	T394	T394-P469 HydrophobicContact CG2-CB 4.21Å; T394-P469 HydrophobicContact CG2-CG 3.73Å
470	H	94.4	Very high	95.4	Very high	71 Å²	71	50.4 Å²	50.4	33%	0.329	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-58.9	-171	-68.8	-75.6	0	0	0	115	S397 Y459 T467	S397-H470 VanDerWaalsContact CB-O 3.26Å; S397-H470 WeakPolarHBondContact CB-O 3.31Å; Y459-H470 HydrophobicContact CD1-CB 3.57Å; Y459-H470 HydrophobicContact CE1-CB 3.45Å; Y459-H470 VanDerWaalsContact CE1-CB 3.45Å; Y459-H470 AromaticContact CE1-CG 3.59Å; Y459-H470 AromaticContact CE1-ND1 3.96Å; Y459-H470 HydrophobicContact CG-CB 4.37Å; T467-H470 PolarHBondContact O-N 3.32Å
471	W	96.2	Very high	95.5	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	89.3	177.2	-159.7	-118.4	0	0	0	108.8	F396 R400 L401 I404 E447 F448 L456 G466 T467 Y479	F396-W471 HydrophobicContact CD1-CB 4.21Å; F396-W471 HydrophobicContact CE1-CB 3.88Å; F396-W471 HydrophobicContact CE1-CD2 4.38Å; F396-W471 HydrophobicContact CE1-CG 4.09Å; R400-W471 HydrophobicContact CB-CE3 4.47Å; R400-W471 HydrophobicContact CB-CH2 4.36Å; R400-W471 HydrophobicContact CB-CZ3 4.14Å; R400-W471 VanDerWaalsContact CD-CZ2 3.48Å; R400-W471 HydrophobicContact CG-CE3 4.47Å; R400-W471 HydrophobicContact CG-CH2 3.89Å; R400-W471 HydrophobicContact CG-CZ2 4.01Å; R400-W471 HydrophobicContact CG-CZ3 4.12Å; R400-W471 VanDerWaalsContact NE-CZ2 3.3Å; L401-W471 HydrophobicContact CD2-CH2 3.94Å; L401-W471 HydrophobicContact CD2-CZ3 4.24Å; L401-W471 HydrophobicContact CG-CH2 4.28Å; L401-W471 HydrophobicContact CG-CZ3 4.15Å; I404-W471 HydrophobicContact CD1-CH2 3.59Å; I404-W471 HydrophobicContact CD1-CZ2 3.74Å; E447-W471 HydrophobicContact CB-CZ2 4.33Å; E447-W471 PolarHBondContact O-NE1 3.24Å; F448-W471 AromaticContact CD1-CD1 3.38Å; F448-W471 HydrophobicContact CD1-CG 4.31Å; F448-W471 AromaticContact CD1-NE1 3.22Å; F448-W471 AromaticContact CE1-CD1 3.51Å; F448-W471 HydrophobicContact CE1-CD2 4.14Å; F448-W471 AromaticContact CE1-CE2 3.66Å; F448-W471 HydrophobicContact CE1-CG 4.04Å; F448-W471 HydrophobicContact CE1-CZ2 4.3Å; F448-W471 AromaticContact CE1-NE1 3.25Å; F448-W471 VanDerWaalsContact CE1-NE1 3.25Å; F448-W471 HydrophobicContact CZ-CZ2 4.36Å; L456-W471 VanDerWaalsContact CD2-CD1 3.5Å; L456-W471 HydrophobicContact CD2-CG 4.05Å; G466-W471 WeakPolarHBondContact CA-O 3.4Å; T467-W471 PolarHBondContact N-O 3.2Å; T467-W471 PolarHBondContact O-N 3.41Å; W471-Y479 HydrophobicContact CD2-CE2 4.29Å; W471-Y479 HydrophobicContact CE3-CE1 4.42Å; W471-Y479 AromaticContact CE3-CE2 3.99Å; W471-Y479 HydrophobicContact CE3-CE2 3.99Å; W471-Y479 AromaticContact CE3-CZ 3.84Å; W471-Y479 AromaticContact CH2-CD2 3.97Å; W471-Y479 HydrophobicContact CH2-CD2 3.97Å; W471-Y479 HydrophobicContact CH2-CE2 4.07Å; W471-Y479 HydrophobicContact CH2-CG 4.32Å; W471-Y479 HydrophobicContact CZ2-CD2 4.37Å; W471-Y479 HydrophobicContact CZ2-CE2 4.37Å; W471-Y479 HydrophobicContact CZ3-CD1 4.34Å; W471-Y479 HydrophobicContact CZ3-CD2 4.15Å; W471-Y479 HydrophobicContact CZ3-CE1 4.07Å; W471-Y479 AromaticContact CZ3-CE2 3.88Å; W471-Y479 HydrophobicContact CZ3-CE2 3.88Å; W471-Y479 HydrophobicContact CZ3-CG 4.38Å; W471-Y479 AromaticContact CZ3-CZ 3.84Å
472	W	96.6	Very high	95.8	Very high	67 Å²	67	44.4 Å²	44.4	25%	0.254	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	110.5	-166	-178.6	-116.1	0	0	0	110.3	H465 G466 W468 P474 V475 Y479	H465-W472 HydrophobicContact CB-CE3 4.12Å; H465-W472 HydrophobicContact CB-CH2 3.78Å; H465-W472 HydrophobicContact CB-CZ2 4.37Å; H465-W472 HydrophobicContact CB-CZ3 3.64Å; G466-W472 VanDerWaalsContact O-CE3 3.25Å; G466-W472 WeakPolarHBondContact O-CZ3 3.1Å; W468-W472 HydrophobicContact CB-CB 4.37Å; W468-W472 HydrophobicContact CB-CD2 4.13Å; W468-W472 HydrophobicContact CB-CE3 4.37Å; W468-W472 HydrophobicContact CB-CG 4.13Å; W468-W472 HydrophobicContact CE3-CB 3.95Å; W468-W472 AromaticContact CE3-CD1 3.68Å; W468-W472 AromaticContact CE3-CG 3.97Å; W468-W472 HydrophobicContact CE3-CG 3.97Å; W472-P474 VanDerWaalsContact C-CD 3.49Å; W472-P474 HydrophobicContact CD2-CG 4.18Å; W472-P474 VanDerWaalsContact CE2-CD 3.5Å; W472-P474 HydrophobicContact CZ2-CG 3.73Å; W472-V475 HydrophobicContact CB-CG2 4.08Å; W472-V475 HydrophobicContact CG-CG2 4.46Å; W472-V475 WeakPolarHBondContact O-CG2 3.18Å; W472-V475 PolarHBondContact O-N 2.83Å; W472-V475 VanDerWaalsContact O-N 3.16Å; W472-Y479 PolarHBondContact N-OH 3.47Å
473	K	97.2	Very high	96.1	Very high	48 Å²	48	36 Å²	36	21%	0.209	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-54.7	-40.2	-174.6	-172.8	168.9	-174.4	167.3	0	114	F444 F448 H465 V475 S476	F444-K473 HydrophobicContact CD2-CD 4.36Å; F444-K473 HydrophobicContact CD2-CG 3.74Å; F444-K473 HydrophobicContact CE2-CD 4.05Å; F444-K473 VanDerWaalsContact CE2-CE 3.43Å; F444-K473 HydrophobicContact CE2-CG 3.65Å; F444-K473 HydrophobicContact CZ-CD 4.39Å; F444-K473 VanDerWaalsContact CZ-CE 3.46Å; F444-K473 HydrophobicContact CZ-CG 4.45Å; F444-K473 WeakPolarHBondContact O-CE 3.42Å; F444-K473 PolarHBondContact O-NZ 3.45Å; F448-K473 HydrophobicContact CB-CD 4.15Å; F448-K473 HydrophobicContact CD1-CB 3.85Å; F448-K473 HydrophobicContact CD1-CG 4.26Å; F448-K473 HydrophobicContact CD2-CB 4.3Å; F448-K473 HydrophobicContact CD2-CD 4.17Å; F448-K473 HydrophobicContact CD2-CG 3.82Å; F448-K473 VanDerWaalsContact CE1-CA 3.43Å; F448-K473 HydrophobicContact CE1-CB 3.91Å; F448-K473 HydrophobicContact CE1-CG 4.43Å; F448-K473 HydrophobicContact CE2-CB 4.36Å; F448-K473 HydrophobicContact CE2-CG 4.03Å; F448-K473 HydrophobicContact CG-CB 4.05Å; F448-K473 HydrophobicContact CG-CD 4.08Å; F448-K473 HydrophobicContact CG-CG 3.94Å; F448-K473 HydrophobicContact CZ-CB 4.18Å; F448-K473 HydrophobicContact CZ-CG 4.33Å; H465-K473 VanDerWaalsContact O-CB 3.27Å; H465-K473 WeakPolarHBondContact O-CB 3.08Å; H465-K473 PolarHBondContact O-N 3.48Å; K473-V475 PolarHBondContact O-N 2.99Å; K473-V475 VanDerWaalsContact O-N 3.12Å; K473-S476 PolarHBondContact O-N 3.22Å; K473-S476 PolarHBondContact O-OG 3.08Å
474	P	94.8	Very high	96.3	Very high	35 Å²	35	34.5 Å²	34.5	23%	0.227	16%	0.163	C	C	.	.	G	3₁₀ helix	trans	-64.2	-11.7	179.3	-26.7	36.6	0	0	0	116.6	Y337 N339 H465 W472	Y337-P474 VanDerWaalsContact CE2-O 3.28Å; Y337-P474 WeakPolarHBondContact CE2-O 3.31Å; Y337-P474 PolarHBondContact OH-O 2.86Å; N339-P474 PolarHBondContact ND2-O 3.36Å; N339-P474 VanDerWaalsContact ND2-O 3.17Å; H465-P474 HydrophobicContact CB-CG 4.16Å; W472-P474 VanDerWaalsContact C-CD 3.49Å; W472-P474 HydrophobicContact CD2-CG 4.18Å; W472-P474 VanDerWaalsContact CE2-CD 3.5Å; W472-P474 HydrophobicContact CZ2-CG 3.73Å
475	V	95.4	Very high	96.6	Very high	19 Å²	19	26.6 Å²	26.6	12%	0.115	13%	0.128	C	C	.	.	G	3₁₀ helix	trans	-104.7	23.8	174.7	-63.6	0	0	0	0	113.3	W468 W472 K473 S477 M478 Y479	W468-V475 HydrophobicContact CE3-CG2 4.5Å; W468-V475 HydrophobicContact CZ3-CG1 3.89Å; W468-V475 HydrophobicContact CZ3-CG2 4.01Å; W472-V475 HydrophobicContact CB-CG2 4.08Å; W472-V475 HydrophobicContact CG-CG2 4.46Å; W472-V475 WeakPolarHBondContact O-CG2 3.18Å; W472-V475 PolarHBondContact O-N 2.83Å; W472-V475 VanDerWaalsContact O-N 3.16Å; K473-V475 PolarHBondContact O-N 2.99Å; K473-V475 VanDerWaalsContact O-N 3.12Å; V475-S477 PolarHBondContact O-N 2.72Å; V475-S477 VanDerWaalsContact O-N 3.09Å; V475-M478 HydrophobicContact CB-CB 4.35Å; V475-M478 HydrophobicContact CB-CG 4.12Å; V475-M478 HydrophobicContact CB-SD 3.78Å; V475-M478 HydrophobicContact CG1-SD 3.69Å; V475-M478 WeakPolarHBondContact O-CB 3.25Å; V475-M478 PolarHBondContact O-N 2.9Å; V475-Y479 HydrophobicContact CG2-CE1 4.1Å; V475-Y479 HydrophobicContact CG2-CE2 3.96Å; V475-Y479 PolarHBondContact O-N 3.41Å
476	S	97.9	Very high	96.8	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-51.2	-33	175.9	-64.6	0	0	0	0	113.5	Y337 F448 K473 Y479 A480	Y337-S476 PolarHBondContact OH-N 3.05Å; F448-S476 WeakPolarHBondContact CE2-OG 3.14Å; K473-S476 PolarHBondContact O-N 3.22Å; K473-S476 PolarHBondContact O-OG 3.08Å; S476-Y479 PolarHBondContact O-N 3.39Å; S476-A480 PolarHBondContact O-N 2.91Å
477	S	96.6	Very high	96.9	Very high	15 Å²	15	24.9 Å²	24.9	11%	0.105	12%	0.121	C	C	.	.	H	α-helix	trans	-62	-41.9	174.4	54.5	0	0	0	0	112.8	Y337 T440 V475 A480 Q481	Y337-S477 PolarHBondContact OH-N 2.5Å; Y337-S477 PolarHBondContact OH-OG 2.92Å; T440-S477 WeakPolarHBondContact OG1-CA 3.18Å; V475-S477 PolarHBondContact O-N 2.72Å; V475-S477 VanDerWaalsContact O-N 3.09Å; S477-A480 PolarHBondContact O-N 3.47Å; S477-Q481 WeakPolarHBondContact O-CB 3.49Å; S477-Q481 WeakPolarHBondContact O-CG 3.37Å; S477-Q481 PolarHBondContact O-N 3.29Å
478	M	97.3	Very high	97	Very high	23 Å²	23	26 Å²	26	11%	0.113	12%	0.124	C	C	.	.	H	α-helix	trans	-68.9	-37.4	-178.9	-53.3	179.4	77.6	0	0	111.5	G390 Y392 V475 Q481 E482	G390-M478 WeakPolarHBondContact O-CE 3.26Å; Y392-M478 HydrophobicContact CD1-CB 3.76Å; Y392-M478 HydrophobicContact CD1-CE 3.8Å; Y392-M478 HydrophobicContact CD1-SD 4.14Å; Y392-M478 HydrophobicContact CE1-CB 3.64Å; Y392-M478 HydrophobicContact CE1-CE 4.04Å; V475-M478 HydrophobicContact CB-CB 4.35Å; V475-M478 HydrophobicContact CB-CG 4.12Å; V475-M478 HydrophobicContact CB-SD 3.78Å; V475-M478 HydrophobicContact CG1-SD 3.69Å; V475-M478 WeakPolarHBondContact O-CB 3.25Å; V475-M478 PolarHBondContact O-N 2.9Å; M478-Q481 PolarHBondContact O-N 3.41Å; M478-E482 PolarHBondContact O-N 3.11Å; M478-E482 VanDerWaalsContact O-N 3.09Å
479	Y	98.5	Very high	97.3	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-60.3	-48.5	171.4	-63.9	-26.4	0	0	0	111.8	Y392 L401 I443 F448 W471 W472 V475 S476 Q481 E482 L483	Y392-Y479 AromaticContact CD2-CD1 3.82Å; Y392-Y479 HydrophobicContact CD2-CD1 3.82Å; Y392-Y479 AromaticContact CD2-CE1 3.52Å; Y392-Y479 HydrophobicContact CD2-CE1 3.52Å; Y392-Y479 HydrophobicContact CE2-CD1 4.06Å; Y392-Y479 HydrophobicContact CE2-CE1 4.23Å; Y392-Y479 HydrophobicContact CG-CD1 4.24Å; Y392-Y479 AromaticContact CG-CE1 3.81Å; Y392-Y479 HydrophobicContact CG-CE1 3.81Å; L401-Y479 HydrophobicContact CD1-CD1 3.93Å; L401-Y479 HydrophobicContact CD2-CD1 4.08Å; L401-Y479 HydrophobicContact CD2-CG 3.98Å; L401-Y479 HydrophobicContact CG-CD1 4.48Å; I443-Y479 HydrophobicContact CG2-CD2 4.27Å; F448-Y479 HydrophobicContact CE1-CE2 4.14Å; F448-Y479 AromaticContact CZ-CD2 3.99Å; F448-Y479 HydrophobicContact CZ-CD2 3.99Å; F448-Y479 AromaticContact CZ-CE2 3.8Å; F448-Y479 HydrophobicContact CZ-CE2 3.8Å; W471-Y479 HydrophobicContact CD2-CE2 4.29Å; W471-Y479 HydrophobicContact CE3-CE1 4.42Å; W471-Y479 AromaticContact CE3-CE2 3.99Å; W471-Y479 HydrophobicContact CE3-CE2 3.99Å; W471-Y479 AromaticContact CE3-CZ 3.84Å; W471-Y479 AromaticContact CH2-CD2 3.97Å; W471-Y479 HydrophobicContact CH2-CD2 3.97Å; W471-Y479 HydrophobicContact CH2-CE2 4.07Å; W471-Y479 HydrophobicContact CH2-CG 4.32Å; W471-Y479 HydrophobicContact CZ2-CD2 4.37Å; W471-Y479 HydrophobicContact CZ2-CE2 4.37Å; W471-Y479 HydrophobicContact CZ3-CD1 4.34Å; W471-Y479 HydrophobicContact CZ3-CD2 4.15Å; W471-Y479 HydrophobicContact CZ3-CE1 4.07Å; W471-Y479 AromaticContact CZ3-CE2 3.88Å; W471-Y479 HydrophobicContact CZ3-CE2 3.88Å; W471-Y479 HydrophobicContact CZ3-CG 4.38Å; W471-Y479 AromaticContact CZ3-CZ 3.84Å; W472-Y479 PolarHBondContact N-OH 3.47Å; V475-Y479 HydrophobicContact CG2-CE1 4.1Å; V475-Y479 HydrophobicContact CG2-CE2 3.96Å; V475-Y479 PolarHBondContact O-N 3.41Å; S476-Y479 PolarHBondContact O-N 3.39Å; Y479-Q481 VanDerWaalsContact C-N 3.33Å; Y479-Q481 PolarHBondContact O-N 2.72Å; Y479-E482 PolarHBondContact O-N 2.86Å; Y479-L483 WeakPolarHBondContact O-CG 3.32Å; Y479-L483 PolarHBondContact O-N 3.28Å
480	A	98.5	Very high	97.3	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-62.6	-40.5	177.9	0	0	0	0	0	112.4	L439 T440 I443 S476 S477 E482 L483 V484	L439-A480 HydrophobicContact CB-CB 3.99Å; L439-A480 HydrophobicContact CD2-CB 4.3Å; L439-A480 HydrophobicContact CG-CB 3.92Å; T440-A480 WeakPolarHBondContact OG1-CB 3.36Å; I443-A480 HydrophobicContact CD1-CB 3.95Å; S476-A480 PolarHBondContact O-N 2.91Å; S477-A480 PolarHBondContact O-N 3.47Å; A480-E482 PolarHBondContact O-N 2.84Å; A480-L483 PolarHBondContact O-N 2.89Å; A480-V484 WeakPolarHBondContact O-CB 3.22Å; A480-V484 WeakPolarHBondContact O-CG2 3.25Å; A480-V484 PolarHBondContact O-N 3.32Å
481	Q	98.1	Very high	97.2	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-59.3	-46.3	177.3	-74.4	168.5	10.8	0	0	112.1	Y343 G419 S420 W422 S477 M478 Y479 L483 V484 L485	Y343-Q481 VanDerWaalsContact OH-CD 3.31Å; Y343-Q481 WeakPolarHBondContact OH-CG 3.23Å; Y343-Q481 PolarHBondContact OH-NE2 3.1Å; G419-Q481 PolarHBondContact O-OE1 3.26Å; S420-Q481 VanDerWaalsContact CA-OE1 3.27Å; W422-Q481 HydrophobicContact CH2-CG 4.17Å; W422-Q481 HydrophobicContact CZ2-CB 3.53Å; W422-Q481 HydrophobicContact CZ2-CG 3.4Å; S477-Q481 WeakPolarHBondContact O-CB 3.49Å; S477-Q481 WeakPolarHBondContact O-CG 3.37Å; S477-Q481 PolarHBondContact O-N 3.29Å; M478-Q481 PolarHBondContact O-N 3.41Å; Y479-Q481 VanDerWaalsContact C-N 3.33Å; Y479-Q481 PolarHBondContact O-N 2.72Å; Q481-L483 VanDerWaalsContact C-N 3.31Å; Q481-L483 PolarHBondContact O-N 3.42Å; Q481-V484 PolarHBondContact O-N 3.36Å; Q481-L485 WeakPolarHBondContact O-CB 3.43Å; Q481-L485 WeakPolarHBondContact O-CD1 3.31Å; Q481-L485 WeakPolarHBondContact O-CG 3.39Å; Q481-L485 PolarHBondContact O-N 3.37Å
482	E	98.4	Very high	97.3	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-56.6	-47.8	176	-176.9	173.6	117.9	0	0	111.3	Y392 L401 H412 H416 C417 T418 M478 Y479 A480 L485 N486	Y392-E482 WeakPolarHBondContact CE2-OE2 3.44Å; Y392-E482 VanDerWaalsContact CZ-OE2 3.28Å; Y392-E482 WeakPolarHBondContact OH-CB 3.3Å; Y392-E482 PolarHBondContact OH-OE2 3.11Å; L401-E482 WeakPolarHBondContact CD1-OE1 3.06Å; H412-E482 IonicContact NE2-OE1 3.82Å; H412-E482 PolarHBondContact NE2-OE1 3.35Å; H416-E482 WeakPolarHBondContact CA-OE2 3.4Å; H416-E482 IonicContact CE1-OE1 2.75Å; H416-E482 IonicContact CG-OE1 3.45Å; H416-E482 IonicContact ND1-OE1 3.26Å; H416-E482 PolarHBondContact ND1-OE1 3.5Å; H416-E482 IonicContact ND1-OE2 2.66Å; C417-E482 PolarHBondContact N-OE2 3.16Å; T418-E482 WeakPolarHBondContact OG1-CA 3.4Å; M478-E482 PolarHBondContact O-N 3.11Å; M478-E482 VanDerWaalsContact O-N 3.09Å; Y479-E482 PolarHBondContact O-N 2.86Å; A480-E482 PolarHBondContact O-N 2.84Å; E482-L485 PolarHBondContact O-N 2.96Å; E482-N486 WeakPolarHBondContact O-CB 3.39Å; E482-N486 PolarHBondContact O-N 3.25Å; E482-N486 PolarHBondContact O-ND2 2.74Å
483	L	98.8	Very high	97.3	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.005	15%	0.153	C	C	.	.	H	α-helix	trans	-64.1	-45.3	-179.2	-63.5	-169.6	0	0	0	111.7	L401 I404 A405 L410 L439 I443 Y479 A480 Q481 L485 N486 D487	L401-L483 HydrophobicContact CB-CD2 4.12Å; L401-L483 HydrophobicContact CD2-CD1 4.46Å; L401-L483 HydrophobicContact CD2-CD2 4.32Å; L401-L483 HydrophobicContact CD2-CG 4.31Å; I404-L483 HydrophobicContact CB-CD1 4.22Å; I404-L483 HydrophobicContact CG2-CD1 3.6Å; A405-L483 HydrophobicContact CB-CD2 4.02Å; L410-L483 HydrophobicContact CD1-CB 4.19Å; L410-L483 HydrophobicContact CD1-CD1 4.4Å; L439-L483 HydrophobicContact CD2-CB 3.63Å; L439-L483 HydrophobicContact CD2-CD1 4.08Å; L439-L483 HydrophobicContact CD2-CG 4.44Å; I443-L483 HydrophobicContact CD1-CD1 4Å; Y479-L483 WeakPolarHBondContact O-CG 3.32Å; Y479-L483 PolarHBondContact O-N 3.28Å; A480-L483 PolarHBondContact O-N 2.89Å; Q481-L483 VanDerWaalsContact C-N 3.31Å; Q481-L483 PolarHBondContact O-N 3.42Å; L483-L485 PolarHBondContact O-N 3.44Å; L483-N486 PolarHBondContact O-N 2.85Å; L483-D487 VanDerWaalsContact O-CB 3.25Å; L483-D487 WeakPolarHBondContact O-CB 3.24Å; L483-D487 PolarHBondContact O-N 3.39Å
484	V	98.6	Very high	97.3	Very high	2 Å²	2	31.4 Å²	31.4	1%	0.012	16%	0.163	C	C	.	.	H	α-helix	trans	-62.8	-44.1	178.7	168.1	0	0	0	0	111.5	W422 L432 I435 A436 L439 A480 Q481 D487 Q488	W422-V484 HydrophobicContact CH2-CG1 4.44Å; L432-V484 HydrophobicContact CB-CG1 4.14Å; L432-V484 HydrophobicContact CD2-CG1 3.85Å; L432-V484 HydrophobicContact CG-CG1 4.47Å; I435-V484 HydrophobicContact CB-CG1 4.38Å; I435-V484 HydrophobicContact CB-CG2 4.28Å; I435-V484 HydrophobicContact CG2-CG1 4.34Å; I435-V484 HydrophobicContact CG2-CG2 3.7Å; A436-V484 HydrophobicContact CB-CG2 4.21Å; L439-V484 HydrophobicContact CB-CG2 4.47Å; L439-V484 HydrophobicContact CD2-CG2 3.87Å; A480-V484 WeakPolarHBondContact O-CB 3.22Å; A480-V484 WeakPolarHBondContact O-CG2 3.25Å; A480-V484 PolarHBondContact O-N 3.32Å; Q481-V484 PolarHBondContact O-N 3.36Å; V484-D487 PolarHBondContact O-N 2.95Å; V484-Q488 HydrophobicContact CG1-CG 4.22Å; V484-Q488 VanDerWaalsContact O-CB 3.23Å; V484-Q488 WeakPolarHBondContact O-CB 3.35Å; V484-Q488 WeakPolarHBondContact O-CG 3.37Å; V484-Q488 PolarHBondContact O-N 3.34Å
485	L	98.6	Very high	97.3	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-64.1	-47.7	178.2	-68.9	167.4	0	0	0	110.7	I385 T387 T418 W422 L432 Q481 E482 L483 D487 I489 L492	I385-L485 HydrophobicContact CD1-CD2 3.76Å; T387-L485 HydrophobicContact CG2-CD1 3.63Å; T418-L485 HydrophobicContact CG2-CD1 3.8Å; W422-L485 HydrophobicContact CZ2-CD1 3.99Å; W422-L485 HydrophobicContact CZ2-CD2 4.11Å; W422-L485 HydrophobicContact CZ2-CG 3.88Å; L432-L485 HydrophobicContact CD1-CD2 4.13Å; Q481-L485 WeakPolarHBondContact O-CB 3.43Å; Q481-L485 WeakPolarHBondContact O-CD1 3.31Å; Q481-L485 WeakPolarHBondContact O-CG 3.39Å; Q481-L485 PolarHBondContact O-N 3.37Å; E482-L485 PolarHBondContact O-N 2.96Å; L483-L485 PolarHBondContact O-N 3.44Å; L485-D487 PolarHBondContact O-N 2.91Å; L485-I489 HydrophobicContact CD2-CG1 4.13Å; L485-I489 VanDerWaalsContact O-CB 3.29Å; L485-I489 WeakPolarHBondContact O-CB 3.29Å; L485-I489 WeakPolarHBondContact O-CG1 3.04Å; L485-I489 PolarHBondContact O-N 2.79Å; L485-I489 VanDerWaalsContact O-N 3.08Å; L485-L492 HydrophobicContact CB-CD1 4.44Å; L485-L492 HydrophobicContact CB-CD2 4Å
486	N	98.6	Very high	97.5	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-61.4	-34.6	179.5	-88.6	-89.2	0	0	0	112.3	K411 K413 G414 V415 E482 L483 L492	K411-N486 CarbonylContact O-C 3.49Å; K413-N486 WeakPolarHBondContact CA-OD1 3.05Å; K413-N486 WeakPolarHBondContact CG-O 3.42Å; K413-N486 PolarHBondContact N-OD1 3.39Å; K413-N486 PolarHBondContact NZ-O 3.48Å; G414-N486 PolarHBondContact N-OD1 2.68Å; G414-N486 VanDerWaalsContact N-OD1 3.16Å; V415-N486 PolarHBondContact N-OD1 2.84Å; V415-N486 PolarHBondContact O-ND2 2.93Å; E482-N486 WeakPolarHBondContact O-CB 3.39Å; E482-N486 PolarHBondContact O-N 3.25Å; E482-N486 PolarHBondContact O-ND2 2.74Å; L483-N486 PolarHBondContact O-N 2.85Å; N486-L492 HydrophobicContact CB-CD2 4.35Å
487	D	98.6	Very high	97.4	Very high	40 Å²	40	36.4 Å²	36.4	21%	0.214	19%	0.185	C	C	.	.	H	α-helix	trans	-78.8	-53.2	-178.9	-175	58.9	0	0	0	111.4	L410 K411 K413 L483 V484 L485	L410-D487 WeakPolarHBondContact CA-OD1 2.68Å; L410-D487 HydrophobicContact CB-CB 4.23Å; L410-D487 HydrophobicContact CD2-CB 4.42Å; K411-D487 PolarHBondContact N-OD1 2.92Å; K411-D487 VanDerWaalsContact O-CA 3.26Å; K411-D487 WeakPolarHBondContact O-CA 3.44Å; K411-D487 PolarHBondContact O-N 3.21Å; K413-D487 PolarHBondContact NZ-O 2.81Å; L483-D487 VanDerWaalsContact O-CB 3.25Å; L483-D487 WeakPolarHBondContact O-CB 3.24Å; L483-D487 PolarHBondContact O-N 3.39Å; V484-D487 PolarHBondContact O-N 2.95Å; L485-D487 PolarHBondContact O-N 2.91Å
488	Q	98.2	Very high	97.4	Very high	66 Å²	66	38.7 Å²	38.7	31%	0.308	19%	0.193	S	C	.	.	H	α-helix	trans	-88.4	-20.5	-165.1	-62	-69.3	-55.2	0	0	114.8	L432 I435 V484	L432-Q488 HydrophobicContact CD2-CB 3.37Å; L432-Q488 HydrophobicContact CD2-CG 3.82Å; I435-Q488 HydrophobicContact CD1-CG 4.26Å; V484-Q488 HydrophobicContact CG1-CG 4.22Å; V484-Q488 VanDerWaalsContact O-CB 3.23Å; V484-Q488 WeakPolarHBondContact O-CB 3.35Å; V484-Q488 WeakPolarHBondContact O-CG 3.37Å; V484-Q488 PolarHBondContact O-N 3.34Å
489	I	97.8	Very high	97.3	Very high	9 Å²	9	38.5 Å²	38.5	5%	0.046	20%	0.197	C	C	.	.			trans	-94.1	110.8	178.4	-55	-56.1	0	0	0	109.5	I385 K413 L428 L432 L485 N491 L492	I385-I489 HydrophobicContact CG2-CD1 3.93Å; I385-I489 HydrophobicContact CG2-CG1 4.03Å; I385-I489 HydrophobicContact CG2-CG2 4.41Å; K413-I489 VanDerWaalsContact CE-O 3.27Å; K413-I489 WeakPolarHBondContact CE-O 3.32Å; K413-I489 PolarHBondContact NZ-O 2.88Å; L428-I489 HydrophobicContact CD1-CD1 3.78Å; L428-I489 HydrophobicContact CD2-CD1 3.8Å; L428-I489 HydrophobicContact CG-CD1 4.17Å; L432-I489 HydrophobicContact CD1-CD1 3.87Å; L485-I489 HydrophobicContact CD2-CG1 4.13Å; L485-I489 VanDerWaalsContact O-CB 3.29Å; L485-I489 WeakPolarHBondContact O-CB 3.29Å; L485-I489 WeakPolarHBondContact O-CG1 3.04Å; L485-I489 PolarHBondContact O-N 2.79Å; L485-I489 VanDerWaalsContact O-N 3.08Å; I489-N491 PolarHBondContact O-N 2.94Å; I489-L492 HydrophobicContact CB-CB 3.99Å; I489-L492 HydrophobicContact CB-CD1 4.13Å; I489-L492 HydrophobicContact CG1-CD1 4.38Å; I489-L492 HydrophobicContact CG2-CB 3.93Å; I489-L492 HydrophobicContact CG2-CD1 4.02Å; I489-L492 PolarHBondContact O-N 3.36Å
490	E	94.2	Very high	97.1	Very high	161 Å²	161	43.3 Å²	43.3	75%	0.752	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-48.5	-174.8	-172.8	175	-173.4	0	0	113	K413	K413-E490 WeakPolarHBondContact CE-O 3.49Å
491	N	93.2	Very high	97	Very high	127 Å²	127	45.4 Å²	45.4	68%	0.679	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-105.4	40.9	-177.6	-65.4	-37.4	0	0	0	112.7	I489 T493	I489-N491 PolarHBondContact O-N 2.94Å; N491-T493 PolarHBondContact O-N 3.49Å
492	L	97.7	Very high	96.9	Very high	11 Å²	11	45.4 Å²	45.4	6%	0.058	23%	0.234	C	C	.	.			trans	-68.4	126.2	176.8	-165.5	74.8	0	0	0	110.7	K413 V415 L485 N486 I489 N496	K413-L492 HydrophobicContact CD-CB 4.18Å; V415-L492 HydrophobicContact CB-CD2 3.72Å; V415-L492 HydrophobicContact CB-CG 4.15Å; V415-L492 HydrophobicContact CG1-CD2 4.02Å; V415-L492 HydrophobicContact CG1-CG 4.27Å; V415-L492 HydrophobicContact CG2-CD2 4.02Å; V415-L492 HydrophobicContact CG2-CG 3.97Å; L485-L492 HydrophobicContact CB-CD1 4.44Å; L485-L492 HydrophobicContact CB-CD2 4Å; N486-L492 HydrophobicContact CB-CD2 4.35Å; I489-L492 HydrophobicContact CB-CB 3.99Å; I489-L492 HydrophobicContact CB-CD1 4.13Å; I489-L492 HydrophobicContact CG1-CD1 4.38Å; I489-L492 HydrophobicContact CG2-CB 3.93Å; I489-L492 HydrophobicContact CG2-CD1 4.02Å; I489-L492 PolarHBondContact O-N 3.36Å; L492-N496 HydrophobicContact CD1-CB 3.87Å
493	T	97	Very high	96.8	Very high	60 Å²	60	45.5 Å²	45.5	37%	0.368	23%	0.234	S	C	.	.			trans	-136.2	171	176.4	65.6	0	0	0	0	110.5	N491 N495 N496	N491-T493 PolarHBondContact O-N 3.49Å; T493-N495 PolarHBondContact O-N 3.33Å; T493-N495 VanDerWaalsContact O-N 3.11Å; T493-N495 WeakPolarHBondContact OG1-CB 3.41Å; T493-N495 PolarHBondContact OG1-N 2.88Å; T493-N496 PolarHBondContact N-OD1 3Å; T493-N496 WeakPolarHBondContact O-CB 3.24Å; T493-N496 PolarHBondContact O-N 2.93Å; T493-N496 PolarHBondContact O-OD1 3.41Å; T493-N496 VanDerWaalsContact O-OD1 3.12Å; T493-N496 PolarHBondContact OG1-OD1 3.01Å
494	E	96.1	Very high	96.6	Very high	91 Å²	91	45.4 Å²	45.4	43%	0.425	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-57.8	-23	171.7	-71.8	-63	140.4	0	0	112.7	V415 H416 N496 K497	V415-E494 WeakPolarHBondContact CA-OE1 3.35Å; H416-E494 PolarHBondContact N-OE1 3.3Å; E494-N496 PolarHBondContact O-N 3.27Å; E494-K497 WeakPolarHBondContact O-CB 3.48Å; E494-K497 PolarHBondContact O-N 3.4Å; E494-K497 WeakPolarHBondContact OE2-CE 3.34Å; E494-K497 IonicContact OE2-NZ 2.7Å; E494-K497 PolarHBondContact OE2-NZ 3.35Å
495	N	96.3	Very high	96.4	Very high	102 Å²	102	47.8 Å²	47.8	55%	0.545	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-65.7	-20.5	175.9	-70.8	-28.6	0	0	0	113.4	T493 K497 K498	T493-N495 PolarHBondContact O-N 3.33Å; T493-N495 VanDerWaalsContact O-N 3.11Å; T493-N495 WeakPolarHBondContact OG1-CB 3.41Å; T493-N495 PolarHBondContact OG1-N 2.88Å; N495-K497 VanDerWaalsContact C-N 3.25Å; N495-K498 WeakPolarHBondContact O-CE 3.3Å; N495-K498 PolarHBondContact O-NZ 2.8Å; N495-K498 VanDerWaalsContact O-NZ 3.1Å
496	N	97.9	Very high	96.1	Very high	4 Å²	4	47.8 Å²	47.8	2%	0.021	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-72.4	-20.1	172.4	-62.5	80.6	0	0	0	111.9	I385 I386 T387 L492 T493 E494 K498	I385-N496 PolarHBondContact O-ND2 3.34Å; I386-N496 CarbonylContact C-O 3.6Å; I386-N496 WeakPolarHBondContact CA-O 3.34Å; I386-N496 WeakPolarHBondContact CB-O 3.32Å; T387-N496 PolarHBondContact N-O 3.45Å; L492-N496 HydrophobicContact CD1-CB 3.87Å; T493-N496 PolarHBondContact N-OD1 3Å; T493-N496 WeakPolarHBondContact O-CB 3.24Å; T493-N496 PolarHBondContact O-N 2.93Å; T493-N496 PolarHBondContact O-OD1 3.41Å; T493-N496 VanDerWaalsContact O-OD1 3.12Å; T493-N496 PolarHBondContact OG1-OD1 3.01Å; E494-N496 PolarHBondContact O-N 3.27Å; N496-K498 PolarHBondContact O-N 3.46Å
497	K	96.8	Very high	95.8	Very high	52 Å²	52	49.4 Å²	49.4	23%	0.226	26%	0.256	C	S	.	.	B	Isolated β-bridge	trans	-84.8	111.3	175.9	-165.3	169.2	70.4	-146.4	0	109.5	G388 H416 E494 N495	G388-K497 WeakPolarHBondContact O-CG 3.29Å; H416-K497 PolarHBondContact O-NZ 3.32Å; E494-K497 WeakPolarHBondContact O-CB 3.48Å; E494-K497 PolarHBondContact O-N 3.4Å; E494-K497 WeakPolarHBondContact OE2-CE 3.34Å; E494-K497 IonicContact OE2-NZ 2.7Å; E494-K497 PolarHBondContact OE2-NZ 3.35Å; N495-K497 VanDerWaalsContact C-N 3.25Å
498	K	96.7	Very high	95.4	Very high	63 Å²	63	51.2 Å²	51.2	27%	0.274	26%	0.259	S	S	.	.			trans	-117.8	58.6	-177.8	-61.9	-58	-169	-163.3	0	110.2	I386 T387 N495 N496 D500 L501 L502	I386-K498 HydrophobicContact CB-CB 4.44Å; I386-K498 HydrophobicContact CB-CG 3.89Å; I386-K498 HydrophobicContact CD1-CB 4.33Å; I386-K498 HydrophobicContact CD1-CG 4.12Å; I386-K498 HydrophobicContact CG2-CG 3.78Å; T387-K498 PolarHBondContact O-N 2.96Å; N495-K498 WeakPolarHBondContact O-CE 3.3Å; N495-K498 PolarHBondContact O-NZ 2.8Å; N495-K498 VanDerWaalsContact O-NZ 3.1Å; N496-K498 PolarHBondContact O-N 3.46Å; K498-D500 PolarHBondContact O-N 2.92Å; K498-D500 VanDerWaalsContact O-N 3.15Å; K498-L501 HydrophobicContact CB-CB 4.11Å; K498-L501 HydrophobicContact CB-CD1 4.15Å; K498-L501 HydrophobicContact CB-CG 4.38Å; K498-L501 HydrophobicContact CG-CD1 4.36Å; K498-L501 WeakPolarHBondContact O-CA 3.49Å; K498-L501 PolarHBondContact O-N 3.37Å; K498-L502 PolarHBondContact O-N 3.11Å
499	G	94.3	Very high	95.1	Very high	20 Å²	20	53.6 Å²	53.6	21%	0.206	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-20.7	-179.3	0	0	0	0	0	115	L501 L502 V504	G499-L501 VanDerWaalsContact C-N 3.33Å; G499-L502 CarbonylContact C-O 3.49Å; G499-L502 WeakPolarHBondContact CA-O 3.27Å; G499-V504 WeakPolarHBondContact O-CG2 3.31Å
500	D	94.3	Very high	94.8	Very high	100 Å²	100	55.4 Å²	55.4	54%	0.535	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-5.1	172.1	-64	-44.2	0	0	0	113.2	K498 R508 H515	K498-D500 PolarHBondContact O-N 2.92Å; K498-D500 VanDerWaalsContact O-N 3.15Å; D500-R508 IonicContact OD1-CZ 3.6Å; D500-R508 IonicContact OD1-NH1 3.83Å; D500-R508 PolarHBondContact OD1-NH1 3.33Å; D500-R508 IonicContact OD1-NH2 3.67Å; D500-R508 PolarHBondContact OD1-NH2 2.93Å; D500-H515 PolarHBondContact O-ND1 3.24Å
501	L	96.5	Very high	94.6	Very high	44 Å²	44	53.2 Å²	53.2	23%	0.23	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.7	-45	174.4	-64.1	177.4	0	0	0	111.5	F377 K498 G499 E514 L516 H517	F377-L501 HydrophobicContact CE2-CD1 3.95Å; K498-L501 HydrophobicContact CB-CB 4.11Å; K498-L501 HydrophobicContact CB-CD1 4.15Å; K498-L501 HydrophobicContact CB-CG 4.38Å; K498-L501 HydrophobicContact CG-CD1 4.36Å; K498-L501 WeakPolarHBondContact O-CA 3.49Å; K498-L501 PolarHBondContact O-N 3.37Å; G499-L501 VanDerWaalsContact C-N 3.33Å; L501-E514 WeakPolarHBondContact CD2-O 3.38Å; L501-L516 HydrophobicContact CB-CB 4.3Å; L501-L516 WeakPolarHBondContact O-CA 3.11Å; L501-L516 VanDerWaalsContact O-CB 3.28Å; L501-L516 WeakPolarHBondContact O-CB 3.46Å; L501-L516 PolarHBondContact O-N 2.91Å; L501-H517 PolarHBondContact O-N 3.31Å
502	L	97.5	Very high	94.5	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	24%	0.243	C	C	.	.	S	Bend	trans	-112.8	147.6	-177.4	-63.7	-179.9	0	0	0	110.6	L362 I386 G388 T421 F423 K498 G499 V504 L516 H517	L362-L502 HydrophobicContact CD1-CD2 4Å; I386-L502 HydrophobicContact CD1-CD1 3.85Å; I386-L502 HydrophobicContact CD1-CG 4.36Å; I386-L502 HydrophobicContact CG1-CD1 3.79Å; G388-L502 WeakPolarHBondContact CA-O 3.5Å; T421-L502 HydrophobicContact CG2-CB 4.45Å; T421-L502 HydrophobicContact CG2-CD1 4.4Å; T421-L502 HydrophobicContact CG2-CD2 4.03Å; F423-L502 HydrophobicContact CB-CD1 3.9Å; K498-L502 PolarHBondContact O-N 3.11Å; G499-L502 CarbonylContact C-O 3.49Å; G499-L502 WeakPolarHBondContact CA-O 3.27Å; L502-V504 PolarHBondContact O-N 3.46Å; L502-L516 HydrophobicContact CD2-CB 4.19Å; L502-L516 HydrophobicContact CD2-CD2 3.49Å; L502-L516 VanDerWaalsContact CD2-CD2 3.49Å; L502-L516 HydrophobicContact CD2-CG 4.1Å; L502-L516 HydrophobicContact CG-CD2 4.41Å; L502-H517 HydrophobicContact CD2-CB 3.69Å
503	D	95.1	Very high	94.2	Very high	2 Å²	2	48.4 Å²	48.4	1%	0.011	25%	0.25	C	S	.	.	S	Bend	trans	51.7	33.7	-174.2	-60.4	-32.3	0	0	0	114.4	G388 G419 S420 T421 E505 H517 H519	G388-D503 WeakPolarHBondContact CA-OD2 3.41Å; G419-D503 WeakPolarHBondContact CA-OD2 3.46Å; S420-D503 PolarHBondContact N-OD2 2.9Å; T421-D503 WeakPolarHBondContact CB-OD1 3.45Å; T421-D503 WeakPolarHBondContact CB-OD2 3.21Å; T421-D503 PolarHBondContact N-OD2 3.4Å; T421-D503 VanDerWaalsContact N-OD2 3.09Å; T421-D503 PolarHBondContact OG1-OD1 3.42Å; D503-E505 PolarHBondContact O-N 3.46Å; D503-H517 PolarHBondContact N-ND1 3.3Å; D503-H517 PolarHBondContact N-O 3.05Å; D503-H517 IonicContact OD1-CE1 3.42Å; D503-H517 PolarHBondContact OD1-CE1 2.88Å; D503-H517 IonicContact OD1-ND1 3.84Å; D503-H519 HydrophobicContact CB-CB 4.22Å
504	V	95.1	Very high	93.9	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	134	176.3	179.2	0	0	0	0	109.1	G499 L502 S506 R508 H515 H517 V518 H519 V563	G499-V504 WeakPolarHBondContact O-CG2 3.31Å; L502-V504 PolarHBondContact O-N 3.46Å; V504-S506 PolarHBondContact O-N 3Å; V504-R508 HydrophobicContact CG1-CB 4.19Å; V504-H515 HydrophobicContact CB-CB 4.38Å; V504-H515 HydrophobicContact CG1-CB 4.47Å; V504-H515 HydrophobicContact CG2-CB 3.88Å; V504-H517 PolarHBondContact N-O 3.48Å; V504-H517 VanDerWaalsContact N-O 3.16Å; V504-V518 CarbonylContact O-C 3.51Å; V504-V518 VanDerWaalsContact O-CA 3.28Å; V504-V518 WeakPolarHBondContact O-CA 3.36Å; V504-V518 VanDerWaalsContact O-CG1 3.28Å; V504-V518 WeakPolarHBondContact O-CG1 3.28Å; V504-H519 PolarHBondContact O-N 3.21Å; V504-V563 HydrophobicContact CG1-CG2 4.36Å
505	E	93.4	Very high	93.9	Very high	51 Å²	51	45.3 Å²	45.3	24%	0.238	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	134.1	-175.5	-53.3	88.9	163	0	0	110.7	D503 C507 R508 W521 V563	D503-E505 PolarHBondContact O-N 3.46Å; E505-C507 PolarHBondContact O-N 2.95Å; E505-R508 WeakPolarHBondContact O-CB 3.48Å; E505-R508 PolarHBondContact O-N 3.27Å; E505-R508 IonicContact OE2-NH1 3.83Å; E505-W521 HydrophobicContact CB-CD2 4.38Å; E505-W521 HydrophobicContact CB-CG 4.45Å; E505-W521 HydrophobicContact CG-CD2 3.52Å; E505-W521 HydrophobicContact CG-CE3 3.51Å; E505-W521 HydrophobicContact CG-CG 4.08Å; E505-W521 HydrophobicContact CG-CH2 4.01Å; E505-W521 HydrophobicContact CG-CZ2 4.04Å; E505-W521 HydrophobicContact CG-CZ3 3.76Å; E505-V563 WeakPolarHBondContact O-CG1 3.23Å
506	S	93.9	Very high	93.8	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-9.2	175.5	62.4	0	0	0	0	114.6	V504 H519 F527 S564	V504-S506 PolarHBondContact O-N 3Å; S506-H519 PolarHBondContact N-O 2.86Å; S506-F527 PolarHBondContact OG-O 3.43Å; S506-S564 VanDerWaalsContact O-CA 3.25Å; S506-S564 WeakPolarHBondContact O-CA 3.32Å
507	C	90.4	Very high	93.8	Very high	34 Å²	34	40.3 Å²	40.3	23%	0.23	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-7.2	176.1	-54.7	0	0	0	0	114.1	E505 A523 C525	E505-C507 PolarHBondContact O-N 2.95Å; C507-A523 VanDerWaalsContact SG-CB 3.57Å; C507-C525 WeakPolarHBondContact CA-SG 3.38Å; C507-C525 HydrophobicContact CB-CB 3.49Å; C507-C525 VanDerWaalsContact CB-CB 3.49Å; C507-C525 WeakPolarHBondContact CB-SG 3.44Å; C507-C525 WeakPolarHBondContact SG-CB 3.34Å; C507-C525 CovalentContact SG-SG 2.01Å; C507-C525 PolarHBondContact SG-SG 3Å
508	R	91	Very high	93.8	Very high	78 Å²	78	37.8 Å²	37.8	29%	0.294	19%	0.194	S	C	.	.			trans	-68.9	143.5	-168.9	-139.3	162	-161.5	177.4	-2.2	112.3	D500 V504 E505 T510 V563 S564	D500-R508 IonicContact OD1-CZ 3.6Å; D500-R508 IonicContact OD1-NH1 3.83Å; D500-R508 PolarHBondContact OD1-NH1 3.33Å; D500-R508 IonicContact OD1-NH2 3.67Å; D500-R508 PolarHBondContact OD1-NH2 2.93Å; V504-R508 HydrophobicContact CG1-CB 4.19Å; E505-R508 WeakPolarHBondContact O-CB 3.48Å; E505-R508 PolarHBondContact O-N 3.27Å; E505-R508 IonicContact OE2-NH1 3.83Å; R508-T510 WeakPolarHBondContact CD-OG1 3.43Å; R508-T510 HydrophobicContact CG-CG2 4.39Å; R508-T510 VanDerWaalsContact CG-OG1 3.23Å; R508-T510 WeakPolarHBondContact CG-OG1 3.27Å; R508-V563 HydrophobicContact CB-CB 3.93Å; R508-V563 HydrophobicContact CB-CG1 4.23Å; R508-V563 HydrophobicContact CB-CG2 4.13Å; R508-V563 WeakPolarHBondContact O-CB 3.35Å; R508-V563 PolarHBondContact O-N 2.91Å; R508-S564 PolarHBondContact O-N 2.69Å
509	T	91.1	Very high	93.8	Very high	116 Å²	116	36 Å²	36	71%	0.712	19%	0.187	S	C	*	.			trans	-94.6	-11.8	179	53.6	0	0	0	0	112.6	S562	T509-S562 VanDerWaalsContact O-CB 3.28Å; T509-S562 WeakPolarHBondContact O-CB 3.31Å
510	T	92.1	Very high	93.7	Very high	47 Å²	47	35 Å²	35	29%	0.288	18%	0.177	S	C	.	.	S	Bend	trans	-63.6	161.9	173	49.1	0	0	0	0	111.6	R508 H515 S562 V563	R508-T510 WeakPolarHBondContact CD-OG1 3.43Å; R508-T510 HydrophobicContact CG-CG2 4.39Å; R508-T510 VanDerWaalsContact CG-OG1 3.23Å; R508-T510 WeakPolarHBondContact CG-OG1 3.27Å; T510-H515 WeakPolarHBondContact CB-NE2 3.48Å; T510-H515 PolarHBondContact OG1-CE1 3.38Å; T510-H515 PolarHBondContact OG1-NE2 3.21Å; T510-S562 CarbonylContact O-C 3.59Å; T510-S562 VanDerWaalsContact O-CA 3.23Å; T510-S562 WeakPolarHBondContact O-CA 3.42Å; T510-V563 PolarHBondContact O-N 3.41Å
511	R	89.6	Confident	93.2	Very high	116 Å²	116	33.5 Å²	33.5	44%	0.438	16%	0.164	S	C	.	.	B	Isolated β-bridge	trans	-72.7	135.6	-173.6	-62.4	-178.6	-63.6	164.1	0.7	110.3	V513 E514 H515 L561	R511-V513 HydrophobicContact CB-CG2 4.08Å; R511-V513 PolarHBondContact O-N 2.89Å; R511-E514 HydrophobicContact CB-CG 4.3Å; R511-E514 IonicContact CZ-OE1 2.79Å; R511-E514 IonicContact NE-OE1 2.71Å; R511-E514 PolarHBondContact NE-OE1 2.99Å; R511-E514 IonicContact NH2-OE1 3.81Å; R511-E514 PolarHBondContact NH2-OE1 3.36Å; R511-E514 WeakPolarHBondContact O-CB 3.47Å; R511-E514 PolarHBondContact O-N 3.49Å; R511-H515 PolarHBondContact O-CD2 3.12Å; R511-L561 WeakPolarHBondContact CA-O 3.33Å
512	I	92.4	Very high	92.4	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-57.5	-28.6	-179.1	-175.7	61.3	0	0	0	113.5	E514 H515 V518 T558 L561 V563 Y566	I512-E514 PolarHBondContact O-N 3.03Å; I512-H515 PolarHBondContact O-N 3.2Å; I512-H515 VanDerWaalsContact O-O 3.13Å; I512-V518 HydrophobicContact CD1-CG2 3.52Å; I512-T558 HydrophobicContact CG2-CG2 3.53Å; I512-T558 VanDerWaalsContact CG2-O 3.27Å; I512-T558 WeakPolarHBondContact CG2-O 3.47Å; I512-L561 HydrophobicContact CG2-CB 4.09Å; I512-L561 PolarHBondContact N-O 2.93Å; I512-V563 HydrophobicContact CD1-CG2 4.15Å; I512-Y566 HydrophobicContact CB-CD2 4.3Å; I512-Y566 HydrophobicContact CB-CG 4.05Å; I512-Y566 HydrophobicContact CD1-CD1 3.59Å; I512-Y566 HydrophobicContact CD1-CE1 4.03Å; I512-Y566 HydrophobicContact CD1-CG 3.95Å; I512-Y566 HydrophobicContact CG1-CD1 3.64Å; I512-Y566 HydrophobicContact CG1-CD2 3.82Å; I512-Y566 HydrophobicContact CG1-CE1 4.02Å; I512-Y566 HydrophobicContact CG1-CE2 4.18Å; I512-Y566 HydrophobicContact CG1-CG 3.53Å; I512-Y566 HydrophobicContact CG2-CD2 4.03Å; I512-Y566 HydrophobicContact CG2-CG 4.27Å
513	V	90.9	Very high	91.3	Very high	36 Å²	36	39.9 Å²	39.9	22%	0.218	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-72.7	-10.2	180	-62.5	0	0	0	0	114.5	T373 R511 H515 T558 N559	T373-V513 WeakPolarHBondContact OG1-CA 2.91Å; T373-V513 PolarHBondContact OG1-O 3.49Å; R511-V513 HydrophobicContact CB-CG2 4.08Å; R511-V513 PolarHBondContact O-N 2.89Å; V513-H515 VanDerWaalsContact C-N 3.29Å; V513-T558 HydrophobicContact CG1-CG2 4.38Å; V513-N559 WeakPolarHBondContact CG1-OD1 3.37Å
514	E	90.9	Very high	90.1	Very high	80 Å²	80	49.9 Å²	49.9	37%	0.374	24%	0.237	S	C	.	.	G	3₁₀ helix	trans	-84.3	-9.5	174	-65.7	168.4	-175.7	0	0	112.1	L501 R511 I512	L501-E514 WeakPolarHBondContact CD2-O 3.38Å; R511-E514 HydrophobicContact CB-CG 4.3Å; R511-E514 IonicContact CZ-OE1 2.79Å; R511-E514 IonicContact NE-OE1 2.71Å; R511-E514 PolarHBondContact NE-OE1 2.99Å; R511-E514 IonicContact NH2-OE1 3.81Å; R511-E514 PolarHBondContact NH2-OE1 3.36Å; R511-E514 WeakPolarHBondContact O-CB 3.47Å; R511-E514 PolarHBondContact O-N 3.49Å; I512-E514 PolarHBondContact O-N 3.03Å
515	H	95	Very high	89.4	Confident	7 Å²	7	51.2 Å²	51.2	3%	0.032	25%	0.246	C	C	.	.			trans	-121.4	149.9	-170.8	-54.4	-55.3	0	0	0	109.7	S371 T373 D500 V504 T510 R511 I512 V513 V563	S371-H515 WeakPolarHBondContact CB-O 3.5Å; S371-H515 PolarHBondContact OG-O 3.48Å; T373-H515 WeakPolarHBondContact CB-O 3.38Å; T373-H515 PolarHBondContact OG1-O 3.25Å; T373-H515 VanDerWaalsContact OG1-O 3.05Å; D500-H515 PolarHBondContact O-ND1 3.24Å; V504-H515 HydrophobicContact CB-CB 4.38Å; V504-H515 HydrophobicContact CG1-CB 4.47Å; V504-H515 HydrophobicContact CG2-CB 3.88Å; T510-H515 WeakPolarHBondContact CB-NE2 3.48Å; T510-H515 PolarHBondContact OG1-CE1 3.38Å; T510-H515 PolarHBondContact OG1-NE2 3.21Å; R511-H515 PolarHBondContact O-CD2 3.12Å; I512-H515 PolarHBondContact O-N 3.2Å; I512-H515 VanDerWaalsContact O-O 3.13Å; V513-H515 VanDerWaalsContact C-N 3.29Å; H515-V563 WeakPolarHBondContact CD2-CG2 3.19Å
516	L	95.5	Very high	88.8	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	26%	0.264	C	S	.	.	S	Bend	trans	-91.8	-38	178.3	-176.4	67.8	0	0	0	111.6	S371 I374 F377 F423 L501 L502	S371-L516 PolarHBondContact N-O 3.33Å; S371-L516 VanDerWaalsContact N-O 3.14Å; S371-L516 WeakPolarHBondContact OG-CA 3.44Å; S371-L516 PolarHBondContact OG-O 2.86Å; S371-L516 VanDerWaalsContact OG-O 3.13Å; I374-L516 HydrophobicContact CB-CD1 3.53Å; I374-L516 HydrophobicContact CD1-CD1 4.48Å; I374-L516 HydrophobicContact CG1-CD1 3.82Å; F377-L516 HydrophobicContact CB-CD1 3.7Å; F377-L516 HydrophobicContact CD1-CD1 4.36Å; F377-L516 HydrophobicContact CD1-CD2 4.05Å; F377-L516 HydrophobicContact CD2-CD1 4.33Å; F377-L516 HydrophobicContact CE1-CD2 4.22Å; F377-L516 HydrophobicContact CG-CD1 3.86Å; F377-L516 HydrophobicContact CG-CD2 4.2Å; F423-L516 HydrophobicContact CD2-CD2 4.37Å; L501-L516 HydrophobicContact CB-CB 4.3Å; L501-L516 WeakPolarHBondContact O-CA 3.11Å; L501-L516 VanDerWaalsContact O-CB 3.28Å; L501-L516 WeakPolarHBondContact O-CB 3.46Å; L501-L516 PolarHBondContact O-N 2.91Å; L502-L516 HydrophobicContact CD2-CB 4.19Å; L502-L516 HydrophobicContact CD2-CD2 3.49Å; L502-L516 VanDerWaalsContact CD2-CD2 3.49Å; L502-L516 HydrophobicContact CD2-CG 4.1Å; L502-L516 HydrophobicContact CG-CD2 4.41Å
517	H	97.8	Very high	88.5	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	132.1	-166.6	174.7	-84.6	0	0	0	110.4	T364 A368 T421 L501 L502 D503 V504	T364-H517 PolarHBondContact OG1-CE1 3.19Å; T364-H517 PolarHBondContact OG1-NE2 3.32Å; A368-H517 WeakPolarHBondContact CB-CE1 3.38Å; A368-H517 WeakPolarHBondContact CB-NE2 3.44Å; T421-H517 PolarHBondContact OG1-CE1 3.34Å; L501-H517 PolarHBondContact O-N 3.31Å; L502-H517 HydrophobicContact CD2-CB 3.69Å; D503-H517 PolarHBondContact N-ND1 3.3Å; D503-H517 PolarHBondContact N-O 3.05Å; D503-H517 IonicContact OD1-CE1 3.42Å; D503-H517 PolarHBondContact OD1-CE1 2.88Å; D503-H517 IonicContact OD1-ND1 3.84Å; V504-H517 PolarHBondContact N-O 3.48Å; V504-H517 VanDerWaalsContact N-O 3.16Å
518	V	97.2	Very high	88.5	Confident	0 Å²	0	53 Å²	53	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	129.5	-176.8	-178.3	0	0	0	0	109.4	A368 F369 V504 I512 V563	A368-V518 CarbonylContact C-O 3.56Å; A368-V518 WeakPolarHBondContact CA-O 3.21Å; A368-V518 VanDerWaalsContact CB-O 3.31Å; A368-V518 WeakPolarHBondContact CB-O 3.29Å; F369-V518 HydrophobicContact CB-CB 4.28Å; F369-V518 PolarHBondContact N-O 3.21Å; F369-V518 PolarHBondContact O-N 2.95Å; V504-V518 CarbonylContact O-C 3.51Å; V504-V518 VanDerWaalsContact O-CA 3.28Å; V504-V518 WeakPolarHBondContact O-CA 3.36Å; V504-V518 VanDerWaalsContact O-CG1 3.28Å; V504-V518 WeakPolarHBondContact O-CG1 3.28Å; I512-V518 HydrophobicContact CD1-CG2 3.52Å; V518-V563 HydrophobicContact CB-CG1 4.29Å; V518-V563 HydrophobicContact CG1-CG1 3.48Å; V518-V563 VanDerWaalsContact CG1-CG1 3.48Å; V518-V563 HydrophobicContact CG2-CG1 3.74Å
519	H	95.1	Very high	88.5	Confident	24 Å²	24	49.6 Å²	49.6	11%	0.111	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	132.4	176.5	-172.4	-158.6	0	0	0	110.8	D367 D503 V504 S506 W521	D367-H519 PolarHBondContact O-CD2 3.02Å; D367-H519 IonicContact OD1-CD2 3.28Å; D367-H519 PolarHBondContact OD1-CD2 2.91Å; D367-H519 IonicContact OD1-NE2 3.72Å; D367-H519 PolarHBondContact OD1-NE2 2.68Å; D367-H519 IonicContact OD2-NE2 2.84Å; D367-H519 PolarHBondContact OD2-NE2 2.86Å; D503-H519 HydrophobicContact CB-CB 4.22Å; V504-H519 PolarHBondContact O-N 3.21Å; S506-H519 PolarHBondContact N-O 2.86Å; H519-W521 VanDerWaalsContact C-N 3.25Å; H519-W521 AromaticContact CG-CD1 3.59Å; H519-W521 AromaticContact CG-NE1 3.86Å; H519-W521 AromaticContact ND1-CD1 3.3Å; H519-W521 VanDerWaalsContact ND1-CD1 3.3Å; H519-W521 AromaticContact ND1-NE1 3.33Å; H519-W521 PolarHBondContact ND1-NE1 3.48Å; H519-W521 PolarHBondContact O-N 3.35Å
520	A	93.3	Very high	88.5	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	22%	0.224	C	C	.	.			trans	-79	75.8	176.4	0	0	0	0	0	110.9	F261 D367 F527 K529	F261-A520 HydrophobicContact CE2-CB 4.21Å; D367-A520 WeakPolarHBondContact O-CB 3.49Å; D367-A520 PolarHBondContact O-N 3.45Å; A520-F527 HydrophobicContact CB-CE1 4.27Å; A520-K529 HydrophobicContact CB-CB 4.01Å; A520-K529 HydrophobicContact CB-CD 4.04Å; A520-K529 HydrophobicContact CB-CG 4.4Å; A520-K529 PolarHBondContact O-NZ 3.47Å
521	W	84	Confident	88.3	Confident	69 Å²	69	51.4 Å²	51.4	26%	0.261	24%	0.237	S	C	.	.			trans	-56.2	156.3	175.9	-78	29	0	0	0	111.5	E505 H519 A523	E505-W521 HydrophobicContact CB-CD2 4.38Å; E505-W521 HydrophobicContact CB-CG 4.45Å; E505-W521 HydrophobicContact CG-CD2 3.52Å; E505-W521 HydrophobicContact CG-CE3 3.51Å; E505-W521 HydrophobicContact CG-CG 4.08Å; E505-W521 HydrophobicContact CG-CH2 4.01Å; E505-W521 HydrophobicContact CG-CZ2 4.04Å; E505-W521 HydrophobicContact CG-CZ3 3.76Å; H519-W521 VanDerWaalsContact C-N 3.25Å; H519-W521 AromaticContact CG-CD1 3.59Å; H519-W521 AromaticContact CG-NE1 3.86Å; H519-W521 AromaticContact ND1-CD1 3.3Å; H519-W521 VanDerWaalsContact ND1-CD1 3.3Å; H519-W521 AromaticContact ND1-NE1 3.33Å; H519-W521 PolarHBondContact ND1-NE1 3.48Å; H519-W521 PolarHBondContact O-N 3.35Å; W521-A523 PolarHBondContact O-N 3.19Å
522	H	79.3	Confident	88.4	Confident	142 Å²	142	47.5 Å²	47.5	66%	0.657	22%	0.223	S	C	*	.	S	Bend	trans	-81.6	55.6	-178.7	-63	-154.3	0	0	0	110.1	K529 F530	H522-K529 PolarHBondContact CD2-NZ 2.87Å; H522-K529 PolarHBondContact NE2-NZ 3.49Å; H522-F530 HydrophobicContact CB-CE2 4.09Å; H522-F530 AromaticContact CE1-CZ 3.83Å; H522-F530 AromaticContact CG-CE2 3.7Å; H522-F530 AromaticContact ND1-CE2 3.75Å; H522-F530 AromaticContact ND1-CZ 3.67Å
523	A	74	Confident	88.4	Confident	35 Å²	35	47.5 Å²	47.5	29%	0.289	22%	0.223	S	C	.	.			trans	-109.9	150.9	179.8	0	0	0	0	0	111.2	C507 W521 C525	C507-A523 VanDerWaalsContact SG-CB 3.57Å; W521-A523 PolarHBondContact O-N 3.19Å; A523-C525 PolarHBondContact O-N 2.96Å
524	Y	69.1	Low	88.4	Confident	212 Å²	212	49 Å²	49	83%	0.831	23%	0.23	S	C	*	.			trans	-88.7	89.4	172.4	-66.9	-80.6	0	0	0	109.3
525	C	80.9	Confident	88.3	Confident	29 Å²	29	48.8 Å²	48.8	20%	0.196	24%	0.236	C	C	.	.	S	Bend	trans	-141.7	-171.8	178.7	67.2	0	0	0	0	111.5	C507 A523 F527	C507-C525 WeakPolarHBondContact CA-SG 3.38Å; C507-C525 HydrophobicContact CB-CB 3.49Å; C507-C525 VanDerWaalsContact CB-CB 3.49Å; C507-C525 WeakPolarHBondContact CB-SG 3.44Å; C507-C525 WeakPolarHBondContact SG-CB 3.34Å; C507-C525 CovalentContact SG-SG 2.01Å; C507-C525 PolarHBondContact SG-SG 3Å; A523-C525 PolarHBondContact O-N 2.96Å; C525-F527 PolarHBondContact O-N 3.4Å; C525-F527 PolarHBondContact SG-O 3.38Å
526	D	80.7	Confident	88	Confident	114 Å²	114	49 Å²	49	61%	0.61	24%	0.237	S	C	*	.	S	Bend	trans	-52.9	-34.8	-178.2	-67.3	-12.4	0	0	0	113.9	N568	D526-N568 PolarHBondContact O-ND2 3.45Å
527	F	88.3	Confident	87.7	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	24%	0.239	C	C	.	.	S	Bend	trans	-122.1	112.3	168.7	-173.5	-91.1	0	0	0	110.7	F261 F369 S506 A520 C525 F532 C567 N568 A571	F261-F527 HydrophobicContact CD1-CZ 4.4Å; F261-F527 HydrophobicContact CE1-CE1 4.38Å; F261-F527 AromaticContact CE1-CZ 3.63Å; F261-F527 HydrophobicContact CE1-CZ 3.63Å; F261-F527 HydrophobicContact CE2-CE1 4.37Å; F261-F527 HydrophobicContact CE2-CZ 4.39Å; F261-F527 AromaticContact CZ-CE1 4Å; F261-F527 HydrophobicContact CZ-CE1 4Å; F261-F527 AromaticContact CZ-CZ 3.63Å; F261-F527 HydrophobicContact CZ-CZ 3.63Å; F369-F527 HydrophobicContact CE2-CD1 4.4Å; F369-F527 AromaticContact CE2-CE1 3.65Å; F369-F527 HydrophobicContact CE2-CE1 3.65Å; F369-F527 HydrophobicContact CE2-CZ 4.02Å; F369-F527 AromaticContact CZ-CE1 3.68Å; F369-F527 HydrophobicContact CZ-CE1 3.68Å; F369-F527 HydrophobicContact CZ-CE2 4.33Å; F369-F527 AromaticContact CZ-CZ 3.52Å; F369-F527 HydrophobicContact CZ-CZ 3.52Å; S506-F527 PolarHBondContact OG-O 3.43Å; A520-F527 HydrophobicContact CB-CE1 4.27Å; C525-F527 PolarHBondContact O-N 3.4Å; C525-F527 PolarHBondContact SG-O 3.38Å; F527-F532 HydrophobicContact CE2-CB 4.4Å; F527-F532 HydrophobicContact CE2-CG 4.43Å; F527-C567 HydrophobicContact CB-CB 3.85Å; F527-C567 HydrophobicContact CD1-CB 3.6Å; F527-C567 HydrophobicContact CD2-CB 3.62Å; F527-C567 HydrophobicContact CE1-CB 4.05Å; F527-C567 HydrophobicContact CE2-CB 4.08Å; F527-C567 HydrophobicContact CG-CB 3.36Å; F527-C567 HydrophobicContact CZ-CB 4.27Å; F527-N568 HydrophobicContact CD2-CB 4.38Å; F527-N568 WeakPolarHBondContact CD2-OD1 3.42Å; F527-A571 HydrophobicContact CE2-CB 3.73Å; F527-A571 HydrophobicContact CZ-CB 4.06Å
528	S	89.7	Confident	87.3	Confident	7 Å²	7	55.4 Å²	55.4	5%	0.049	27%	0.269	C	S	.	.			trans	-123.4	126.5	171.9	178	0	0	0	0	109.2	F530 K531 F532	S528-F530 PolarHBondContact O-N 3.45Å; S528-K531 PolarHBondContact O-N 3.44Å; S528-F532 PolarHBondContact O-N 3.18Å; S528-F532 VanDerWaalsContact O-N 3.09Å
529	K	90.9	Very high	86.8	Confident	7 Å²	7	56.4 Å²	56.4	3%	0.03	28%	0.276	C	S	.	.	H	α-helix	trans	-59	-34.7	-179.7	67.8	-174.9	175.1	-148.1	0	113	F261 D367 A520 H522 F532 L533	F261-K529 HydrophobicContact CE2-CB 3.7Å; F261-K529 HydrophobicContact CZ-CB 3.75Å; D367-K529 HydrophobicContact CB-CD 4.09Å; D367-K529 IonicContact OD2-NZ 3.87Å; D367-K529 PolarHBondContact OD2-NZ 2.66Å; A520-K529 HydrophobicContact CB-CB 4.01Å; A520-K529 HydrophobicContact CB-CD 4.04Å; A520-K529 HydrophobicContact CB-CG 4.4Å; A520-K529 PolarHBondContact O-NZ 3.47Å; H522-K529 PolarHBondContact CD2-NZ 2.87Å; H522-K529 PolarHBondContact NE2-NZ 3.49Å; K529-F532 PolarHBondContact O-N 3.37Å; K529-L533 HydrophobicContact CB-CD1 4.23Å; K529-L533 WeakPolarHBondContact O-CB 3.39Å; K529-L533 VanDerWaalsContact O-CG 3.31Å; K529-L533 WeakPolarHBondContact O-CG 3.45Å; K529-L533 PolarHBondContact O-N 3.29Å
530	F	90.7	Very high	86.3	Confident	73 Å²	73	55.3 Å²	55.3	32%	0.32	27%	0.271	S	S	.	.	H	α-helix	trans	-69.2	-46.4	179.4	-58.6	-63.4	0	0	0	110.9	H522 S528 F532 L533 D534	H522-F530 HydrophobicContact CB-CE2 4.09Å; H522-F530 AromaticContact CE1-CZ 3.83Å; H522-F530 AromaticContact CG-CE2 3.7Å; H522-F530 AromaticContact ND1-CE2 3.75Å; H522-F530 AromaticContact ND1-CZ 3.67Å; S528-F530 PolarHBondContact O-N 3.45Å; F530-F532 PolarHBondContact O-N 2.89Å; F530-L533 PolarHBondContact O-N 2.89Å; F530-D534 VanDerWaalsContact O-CB 3.25Å; F530-D534 WeakPolarHBondContact O-CB 3.32Å; F530-D534 VanDerWaalsContact O-CG 3.27Å; F530-D534 PolarHBondContact O-N 2.92Å
531	K	89.7	Confident	85.9	Confident	129 Å²	129	60.3 Å²	60.3	56%	0.561	29%	0.294	S	S	*	.	H	α-helix	trans	-59.5	-29.4	174.7	-66.9	-174.7	180	177.3	0	112.9	S528 P535	S528-K531 PolarHBondContact O-N 3.44Å; K531-P535 VanDerWaalsContact O-CG 3.24Å; K531-P535 WeakPolarHBondContact O-CG 3.45Å
532	F	91.4	Very high	86	Confident	34 Å²	34	60.8 Å²	60.8	15%	0.149	31%	0.312	C	S	.	.	H	α-helix	trans	-85.5	-50.3	177.7	-178.5	-93.5	0	0	0	112.9	T260 F261 F527 S528 K529 F530 L536 A571 L575	T260-F532 HydrophobicContact CG2-CE1 3.91Å; T260-F532 HydrophobicContact CG2-CZ 4.18Å; F261-F532 AromaticContact CE1-CD1 3.79Å; F261-F532 HydrophobicContact CE1-CD1 3.79Å; F261-F532 HydrophobicContact CE1-CE1 4.07Å; F261-F532 HydrophobicContact CZ-CD1 4.3Å; F527-F532 HydrophobicContact CE2-CB 4.4Å; F527-F532 HydrophobicContact CE2-CG 4.43Å; S528-F532 PolarHBondContact O-N 3.18Å; S528-F532 VanDerWaalsContact O-N 3.09Å; K529-F532 PolarHBondContact O-N 3.37Å; F530-F532 PolarHBondContact O-N 2.89Å; F532-L536 HydrophobicContact CE1-CD2 4.02Å; F532-L536 HydrophobicContact CZ-CD2 4.35Å; F532-L536 VanDerWaalsContact O-CB 3.31Å; F532-L536 WeakPolarHBondContact O-CB 3.43Å; F532-A571 HydrophobicContact CD1-CB 4.26Å; F532-A571 HydrophobicContact CD2-CB 4.08Å; F532-A571 HydrophobicContact CE1-CB 3.88Å; F532-A571 HydrophobicContact CE2-CB 3.67Å; F532-A571 HydrophobicContact CG-CB 4.36Å; F532-A571 HydrophobicContact CZ-CB 3.57Å; F532-A571 WeakPolarHBondContact CZ-O 3.24Å; F532-L575 HydrophobicContact CZ-CB 4.3Å; F532-L575 HydrophobicContact CZ-CD2 4.3Å
533	L	91.5	Very high	86	Confident	0 Å²	0	59 Å²	59	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-83.2	-41.2	-170.1	-66.6	170.7	0	0	0	113.1	Y253 V256 Q257 F261 K529 F530 L536 V537	Y253-L533 HydrophobicContact CD2-CB 4.35Å; Y253-L533 HydrophobicContact CE1-CD1 3.85Å; Y253-L533 HydrophobicContact CE2-CB 3.59Å; Y253-L533 HydrophobicContact CE2-CD1 4.17Å; Y253-L533 HydrophobicContact CE2-CG 4.48Å; Y253-L533 WeakPolarHBondContact OH-CD1 3.18Å; V256-L533 HydrophobicContact CG1-CD2 3.82Å; Q257-L533 HydrophobicContact CB-CD1 3.83Å; Q257-L533 HydrophobicContact CB-CD2 4.26Å; Q257-L533 HydrophobicContact CG-CD1 3.85Å; F261-L533 HydrophobicContact CE1-CD2 4.41Å; F261-L533 HydrophobicContact CE2-CD1 4.18Å; F261-L533 HydrophobicContact CZ-CD1 3.85Å; F261-L533 HydrophobicContact CZ-CD2 4.4Å; F261-L533 HydrophobicContact CZ-CG 4.05Å; K529-L533 HydrophobicContact CB-CD1 4.23Å; K529-L533 WeakPolarHBondContact O-CB 3.39Å; K529-L533 VanDerWaalsContact O-CG 3.31Å; K529-L533 WeakPolarHBondContact O-CG 3.45Å; K529-L533 PolarHBondContact O-N 3.29Å; F530-L533 PolarHBondContact O-N 2.89Å; L533-L536 WeakPolarHBondContact O-CB 3.34Å; L533-L536 PolarHBondContact O-N 2.73Å; L533-V537 WeakPolarHBondContact O-CB 3.33Å; L533-V537 VanDerWaalsContact O-CG2 3.3Å; L533-V537 WeakPolarHBondContact O-CG2 3.41Å; L533-V537 PolarHBondContact O-N 3.35Å
534	D	90.9	Very high	86.3	Confident	68 Å²	68	58.5 Å²	58.5	36%	0.364	31%	0.306	S	S	.	.	H	α-helix	trans	-60.5	-55.3	-173.6	-61.7	-11.7	0	0	0	112.2	Y253 F530 L536 V537 M538	Y253-D534 WeakPolarHBondContact CE2-OD1 3.43Å; F530-D534 VanDerWaalsContact O-CB 3.25Å; F530-D534 WeakPolarHBondContact O-CB 3.32Å; F530-D534 VanDerWaalsContact O-CG 3.27Å; F530-D534 PolarHBondContact O-N 2.92Å; D534-L536 VanDerWaalsContact C-N 3.26Å; D534-L536 PolarHBondContact O-N 2.8Å; D534-V537 PolarHBondContact O-N 3.26Å; D534-M538 WeakPolarHBondContact O-CB 3.32Å; D534-M538 VanDerWaalsContact O-CG 3.23Å; D534-M538 WeakPolarHBondContact O-CG 3.24Å; D534-M538 PolarHBondContact O-N 2.95Å
535	P	89.3	Confident	86.8	Confident	75 Å²	75	54.3 Å²	54.3	49%	0.487	31%	0.305	S	S	.	.	H	α-helix	trans	-64	-33.2	178.1	25.5	-34.4	0	0	0	112.3	K531 S539	K531-P535 VanDerWaalsContact O-CG 3.24Å; K531-P535 WeakPolarHBondContact O-CG 3.45Å; P535-S539 VanDerWaalsContact O-CB 3.24Å; P535-S539 WeakPolarHBondContact O-CB 3.37Å; P535-S539 PolarHBondContact O-N 3.26Å
536	L	89.8	Confident	86.9	Confident	12 Å²	12	55.3 Å²	55.3	6%	0.063	31%	0.31	C	S	.	.	H	α-helix	trans	-65.3	-50.8	177.8	171.6	61.6	0	0	0	111.5	V256 F532 L533 D534 S539 L540 V546 L575	V256-L536 HydrophobicContact CG1-CD2 3.48Å; V256-L536 VanDerWaalsContact CG1-CD2 3.48Å; V256-L536 HydrophobicContact CG1-CG 4.24Å; F532-L536 HydrophobicContact CE1-CD2 4.02Å; F532-L536 HydrophobicContact CZ-CD2 4.35Å; F532-L536 VanDerWaalsContact O-CB 3.31Å; F532-L536 WeakPolarHBondContact O-CB 3.43Å; L533-L536 WeakPolarHBondContact O-CB 3.34Å; L533-L536 PolarHBondContact O-N 2.73Å; D534-L536 VanDerWaalsContact C-N 3.26Å; D534-L536 PolarHBondContact O-N 2.8Å; L536-S539 PolarHBondContact O-N 2.87Å; L536-L540 HydrophobicContact CD1-CD1 3.95Å; L536-L540 HydrophobicContact CD1-CG 4.15Å; L536-L540 HydrophobicContact CG-CD1 4.09Å; L536-L540 VanDerWaalsContact O-CG 3.28Å; L536-L540 WeakPolarHBondContact O-CG 3.42Å; L536-L540 PolarHBondContact O-N 2.93Å; L536-V546 HydrophobicContact CD1-CB 4.48Å; L536-V546 HydrophobicContact CD1-CG1 3.64Å; L536-V546 HydrophobicContact CD1-CG2 3.97Å; L536-L575 HydrophobicContact CD1-CD1 3.75Å; L536-L575 HydrophobicContact CD1-CD2 3.91Å; L536-L575 HydrophobicContact CD1-CG 4.49Å; L536-L575 HydrophobicContact CD2-CD1 3.9Å; L536-L575 HydrophobicContact CD2-CD2 4.01Å; L536-L575 HydrophobicContact CG-CD1 4.46Å
537	V	88.7	Confident	86.8	Confident	8 Å²	8	55.4 Å²	55.4	5%	0.048	32%	0.319	C	S	.	.	H	α-helix	trans	-66.6	-40.7	-179.2	172.3	0	0	0	0	110.4	Y253 V256 L533 D534 L540 Q541	Y253-V537 HydrophobicContact CD2-CB 4.42Å; Y253-V537 HydrophobicContact CD2-CG2 3.9Å; Y253-V537 HydrophobicContact CG-CG2 4.47Å; V256-V537 HydrophobicContact CB-CG2 4.42Å; V256-V537 HydrophobicContact CG2-CG2 4.38Å; L533-V537 WeakPolarHBondContact O-CB 3.33Å; L533-V537 VanDerWaalsContact O-CG2 3.3Å; L533-V537 WeakPolarHBondContact O-CG2 3.41Å; L533-V537 PolarHBondContact O-N 3.35Å; D534-V537 PolarHBondContact O-N 3.26Å; V537-L540 PolarHBondContact O-N 3.47Å; V537-Q541 HydrophobicContact CG1-CG 4.41Å; V537-Q541 WeakPolarHBondContact O-CB 3.48Å; V537-Q541 VanDerWaalsContact O-CG 3.28Å; V537-Q541 WeakPolarHBondContact O-CG 3.33Å; V537-Q541 PolarHBondContact O-N 3.22Å
538	M	87.9	Confident	86.5	Confident	126 Å²	126	57.4 Å²	57.4	62%	0.621	33%	0.33	S	S	*	.	H	α-helix	trans	-59.4	-45.8	172.9	-72.7	177.4	70	0	0	111.6	D534 Q541 A542	D534-M538 WeakPolarHBondContact O-CB 3.32Å; D534-M538 VanDerWaalsContact O-CG 3.23Å; D534-M538 WeakPolarHBondContact O-CG 3.24Å; D534-M538 PolarHBondContact O-N 2.95Å; M538-Q541 PolarHBondContact O-N 3.16Å; M538-A542 WeakPolarHBondContact O-CB 3.35Å; M538-A542 PolarHBondContact O-N 2.87Å
539	S	87.1	Confident	86	Confident	20 Å²	20	59.8 Å²	59.8	14%	0.14	35%	0.346	C	S	.	.	H	α-helix	trans	-61.9	-45.6	176.8	-173.1	0	0	0	0	111.6	P535 L536 Q541 A542 N543 G544 P545	P535-S539 VanDerWaalsContact O-CB 3.24Å; P535-S539 WeakPolarHBondContact O-CB 3.37Å; P535-S539 PolarHBondContact O-N 3.26Å; L536-S539 PolarHBondContact O-N 2.87Å; S539-Q541 VanDerWaalsContact C-N 3.34Å; S539-Q541 PolarHBondContact O-N 2.92Å; S539-A542 PolarHBondContact O-N 3.02Å; S539-N543 PolarHBondContact O-N 3.03Å; S539-N543 VanDerWaalsContact O-N 3.14Å; S539-G544 PolarHBondContact O-N 3.11Å; S539-G544 PolarHBondContact OG-O 3.38Å; S539-P545 VanDerWaalsContact OG-C 3.31Å; S539-P545 PolarHBondContact OG-O 3.3Å
540	L	85.3	Confident	85.5	Confident	2 Å²	2	64.8 Å²	64.8	1%	0.01	38%	0.378	C	S	.	.	H	α-helix	trans	-62.9	-40.7	178.7	-70.5	170.2	0	0	0	111.8	V256 L536 V537 A542 N543 V546 L582 Y586 L588	V256-L540 HydrophobicContact CG2-CD1 4.02Å; L536-L540 HydrophobicContact CD1-CD1 3.95Å; L536-L540 HydrophobicContact CD1-CG 4.15Å; L536-L540 HydrophobicContact CG-CD1 4.09Å; L536-L540 VanDerWaalsContact O-CG 3.28Å; L536-L540 WeakPolarHBondContact O-CG 3.42Å; L536-L540 PolarHBondContact O-N 2.93Å; V537-L540 PolarHBondContact O-N 3.47Å; L540-A542 VanDerWaalsContact C-N 3.34Å; L540-N543 PolarHBondContact O-N 3.41Å; L540-V546 HydrophobicContact CD2-CG2 4.07Å; L540-V546 HydrophobicContact CG-CG2 4.47Å; L540-L582 HydrophobicContact CD1-CD1 4.22Å; L540-L582 HydrophobicContact CD2-CB 4.45Å; L540-Y586 HydrophobicContact CB-CD1 4.24Å; L540-Y586 HydrophobicContact CB-CD2 3.85Å; L540-Y586 HydrophobicContact CB-CE1 3.95Å; L540-Y586 HydrophobicContact CB-CE2 3.54Å; L540-Y586 HydrophobicContact CB-CG 4.17Å; L540-Y586 HydrophobicContact CD1-CD2 4.41Å; L540-Y586 HydrophobicContact CD1-CE2 3.88Å; L540-Y586 HydrophobicContact CD2-CD2 4.32Å; L540-Y586 HydrophobicContact CG-CD2 4.43Å; L540-Y586 HydrophobicContact CG-CE2 4.19Å; L540-Y586 WeakPolarHBondContact O-CD1 3.4Å; L540-L588 HydrophobicContact CD2-CD1 4.08Å
541	Q	85.3	Confident	85.1	Confident	105 Å²	105	65.4 Å²	65.4	49%	0.491	38%	0.382	S	S	.	.	H	α-helix	trans	-66.7	-33	176.5	-74.8	175.3	-32.3	0	0	113.3	V537 M538 S539 N543 Y586	V537-Q541 HydrophobicContact CG1-CG 4.41Å; V537-Q541 WeakPolarHBondContact O-CB 3.48Å; V537-Q541 VanDerWaalsContact O-CG 3.28Å; V537-Q541 WeakPolarHBondContact O-CG 3.33Å; V537-Q541 PolarHBondContact O-N 3.22Å; M538-Q541 PolarHBondContact O-N 3.16Å; S539-Q541 VanDerWaalsContact C-N 3.34Å; S539-Q541 PolarHBondContact O-N 2.92Å; Q541-N543 VanDerWaalsContact C-N 3.34Å; Q541-Y586 HydrophobicContact CB-CE1 4.35Å; Q541-Y586 HydrophobicContact CG-CE1 3.76Å
542	A	85.4	Confident	84.8	Confident	78 Å²	78	60.4 Å²	60.4	65%	0.645	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90	5.2	179.3	0	0	0	0	0	113.7	M538 S539 L540 G544	M538-A542 WeakPolarHBondContact O-CB 3.35Å; M538-A542 PolarHBondContact O-N 2.87Å; S539-A542 PolarHBondContact O-N 3.02Å; L540-A542 VanDerWaalsContact C-N 3.34Å; A542-G544 PolarHBondContact O-N 3.41Å
543	N	79.4	Confident	84.5	Confident	106 Å²	106	61.4 Å²	61.4	57%	0.567	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.1	30.8	-169.3	-58.4	-10.1	0	0	0	113.3	S539 L540 Q541 L588	S539-N543 PolarHBondContact O-N 3.03Å; S539-N543 VanDerWaalsContact O-N 3.14Å; L540-N543 PolarHBondContact O-N 3.41Å; Q541-N543 VanDerWaalsContact C-N 3.34Å; N543-L588 HydrophobicContact CB-CD2 3.5Å; N543-L588 VanDerWaalsContact CB-CD2 3.5Å; N543-L588 WeakPolarHBondContact OD1-CD2 3.48Å
544	G	79.6	Confident	84.1	Confident	24 Å²	24	66.6 Å²	66.6	25%	0.247	39%	0.39	C	S	.	.			trans	-85.2	170.6	-178.8	0	0	0	0	0	114.2	S539 A542	S539-G544 PolarHBondContact O-N 3.11Å; S539-G544 PolarHBondContact OG-O 3.38Å; A542-G544 PolarHBondContact O-N 3.41Å
545	P	81.3	Confident	83.5	Confident	124 Å²	124	69.2 Å²	69.2	81%	0.805	40%	0.404	S	S	*	.			trans	-71.9	132.3	-179.6	30	-34.7	0	0	0	112.6	S539	S539-P545 VanDerWaalsContact OG-C 3.31Å; S539-P545 PolarHBondContact OG-O 3.3Å
546	V	81.7	Confident	83.1	Confident	49 Å²	49	67.6 Å²	67.6	30%	0.297	39%	0.389	S	S	.	.			trans	-93.2	114.8	174.4	178.5	0	0	0	0	110.1	L536 L540 I548 L575 L579	L536-V546 HydrophobicContact CD1-CB 4.48Å; L536-V546 HydrophobicContact CD1-CG1 3.64Å; L536-V546 HydrophobicContact CD1-CG2 3.97Å; L540-V546 HydrophobicContact CD2-CG2 4.07Å; L540-V546 HydrophobicContact CG-CG2 4.47Å; V546-I548 HydrophobicContact CG1-CD1 4.43Å; V546-I548 HydrophobicContact CG1-CG1 4.17Å; V546-L575 HydrophobicContact CG1-CD1 4.45Å; V546-L575 HydrophobicContact CG1-CD2 3.77Å; V546-L575 HydrophobicContact CG1-CG 4.42Å; V546-L579 HydrophobicContact CG1-CD2 4.37Å
547	S	79.3	Confident	82.8	Confident	116 Å²	116	71.9 Å²	71.9	81%	0.811	41%	0.411	S	S	*	.			trans	-91.2	133.8	175.3	63.1	0	0	0	0	111.7
548	I	81.2	Confident	82.5	Confident	42 Å²	42	71.6 Å²	71.6	22%	0.215	41%	0.409	C	S	.	.			trans	-131.8	132.3	176.4	-51.3	177.7	0	0	0	108.9	V546 T550 L553 L575 V576 L579	V546-I548 HydrophobicContact CG1-CD1 4.43Å; V546-I548 HydrophobicContact CG1-CG1 4.17Å; I548-T550 PolarHBondContact O-N 3.04Å; I548-L553 HydrophobicContact CG2-CD1 4.06Å; I548-L553 HydrophobicContact CG2-CD2 4.03Å; I548-L553 HydrophobicContact CG2-CG 4.06Å; I548-L575 HydrophobicContact CD1-CB 4.36Å; I548-L575 HydrophobicContact CD1-CD2 3.56Å; I548-L575 HydrophobicContact CD1-CG 3.68Å; I548-L575 HydrophobicContact CG1-CD2 3.73Å; I548-L575 HydrophobicContact CG1-CG 4.41Å; I548-V576 HydrophobicContact CD1-CG2 3.54Å; I548-L579 HydrophobicContact CD1-CD1 4.32Å
549	S	79.4	Confident	82.2	Confident	57 Å²	57	69.6 Å²	69.6	40%	0.399	40%	0.401	S	S	.	.			trans	-62.9	121.5	174	171.3	0	0	0	0	110.4	E551 D552	S549-E551 PolarHBondContact O-N 3.37Å; S549-E551 PolarHBondContact OG-N 3.44Å; S549-D552 WeakPolarHBondContact CB-OD2 3.4Å; S549-D552 PolarHBondContact O-N 3.06Å; S549-D552 PolarHBondContact OG-OD2 2.71Å
550	T	80.4	Confident	82.1	Confident	113 Å²	113	73.4 Å²	73.4	69%	0.693	43%	0.427	S	S	*	.	H	α-helix	trans	-65.9	-24.4	177	56.6	0	0	0	0	112.4	I548 D552 L553 K554	I548-T550 PolarHBondContact O-N 3.04Å; T550-D552 VanDerWaalsContact C-N 3.33Å; T550-L553 PolarHBondContact O-N 3.38Å; T550-K554 PolarHBondContact O-N 2.92Å
551	E	82.7	Confident	82.3	Confident	86 Å²	86	73.6 Å²	73.6	40%	0.402	43%	0.428	S	S	.	.	H	α-helix	trans	-65.3	-37.5	175.6	-174.9	54.7	-137.5	0	0	111.7	S549 L553 K554 K556	S549-E551 PolarHBondContact O-N 3.37Å; S549-E551 PolarHBondContact OG-N 3.44Å; E551-L553 PolarHBondContact O-N 2.95Å; E551-K554 PolarHBondContact O-N 2.98Å; E551-K554 IonicContact OE1-NZ 2.89Å; E551-K554 WeakPolarHBondContact OE2-CD 3.22Å; E551-K554 VanDerWaalsContact OE2-CE 3.24Å; E551-K554 WeakPolarHBondContact OE2-CE 3.28Å; E551-K554 IonicContact OE2-NZ 3.43Å; E551-K554 PolarHBondContact OE2-NZ 3.36Å; E551-K556 WeakPolarHBondContact O-CE 3.25Å; E551-K556 PolarHBondContact O-NZ 2.94Å; E551-K556 IonicContact OE1-NZ 3.25Å
552	D	84.2	Confident	82.6	Confident	24 Å²	24	69.5 Å²	69.5	13%	0.128	41%	0.41	C	S	.	.	H	α-helix	trans	-75.2	-14.8	178.9	-64.3	-43.3	0	0	0	112.7	S549 T550 H569 S572	S549-D552 WeakPolarHBondContact CB-OD2 3.4Å; S549-D552 PolarHBondContact O-N 3.06Å; S549-D552 PolarHBondContact OG-OD2 2.71Å; T550-D552 VanDerWaalsContact C-N 3.33Å; D552-H569 PolarHBondContact O-ND1 3.48Å; D552-S572 WeakPolarHBondContact CB-OG 3.16Å
553	L	85.1	Confident	83	Confident	54 Å²	54	65.8 Å²	65.8	28%	0.283	38%	0.38	S	S	.	.	H	α-helix	trans	-88.2	-18.8	176.8	-60.9	-179.5	0	0	0	113.6	I548 T550 E551 R573 V576	I548-L553 HydrophobicContact CG2-CD1 4.06Å; I548-L553 HydrophobicContact CG2-CD2 4.03Å; I548-L553 HydrophobicContact CG2-CG 4.06Å; T550-L553 PolarHBondContact O-N 3.38Å; E551-L553 PolarHBondContact O-N 2.95Å; L553-R573 HydrophobicContact CD2-CG 4.08Å; L553-R573 PolarHBondContact O-NH1 2.9Å; L553-R573 VanDerWaalsContact O-NH1 3.1Å; L553-V576 HydrophobicContact CD1-CG2 4Å; L553-V576 HydrophobicContact CD2-CB 4.47Å; L553-V576 HydrophobicContact CD2-CG2 3.59Å; L553-V576 HydrophobicContact CG-CG2 4.46Å
554	K	82	Confident	83.7	Confident	109 Å²	109	60.8 Å²	60.8	47%	0.474	35%	0.353	S	S	.	.	S	Bend	trans	-57.9	142.8	178.6	-71.4	-178.1	-177.1	168	0	110.9	T550 E551 K556 H569	T550-K554 PolarHBondContact O-N 2.92Å; E551-K554 PolarHBondContact O-N 2.98Å; E551-K554 IonicContact OE1-NZ 2.89Å; E551-K554 WeakPolarHBondContact OE2-CD 3.22Å; E551-K554 VanDerWaalsContact OE2-CE 3.24Å; E551-K554 WeakPolarHBondContact OE2-CE 3.28Å; E551-K554 IonicContact OE2-NZ 3.43Å; E551-K554 PolarHBondContact OE2-NZ 3.36Å; K554-K556 PolarHBondContact O-N 3.29Å; K554-K556 VanDerWaalsContact O-N 3.14Å; K554-H569 PolarHBondContact O-CE1 2.84Å
555	L	78.9	Confident	84.3	Confident	124 Å²	124	63 Å²	63	65%	0.649	36%	0.36	S	S	*	.			trans	-65.9	115.6	174.9	-67.8	169.8	0	0	0	109.2
556	K	80.5	Confident	84.9	Confident	41 Å²	41	57.1 Å²	57.1	18%	0.178	32%	0.321	C	S	.	.			trans	-112	148.5	174.1	-61.1	178.9	-175	-179.4	0	108.9	R272 E551 K554 L561	R272-K556 PolarHBondContact NH1-O 2.99Å; E551-K556 WeakPolarHBondContact O-CE 3.25Å; E551-K556 PolarHBondContact O-NZ 2.94Å; E551-K556 IonicContact OE1-NZ 3.25Å; K554-K556 PolarHBondContact O-N 3.29Å; K554-K556 VanDerWaalsContact O-N 3.14Å; K556-L561 HydrophobicContact CB-CD1 4.18Å; K556-L561 HydrophobicContact CB-CD2 3.83Å; K556-L561 HydrophobicContact CB-CG 4.22Å; K556-L561 HydrophobicContact CD-CD2 3.58Å; K556-L561 HydrophobicContact CG-CD2 4.26Å
557	L	83.4	Confident	85.6	Confident	102 Å²	102	54.8 Å²	54.8	53%	0.534	31%	0.307	S	S	.	.			trans	-80.8	137.7	170	-73.9	172	0	0	0	108.3	N559 C560	L557-N559 VanDerWaalsContact C-N 3.3Å; L557-N559 PolarHBondContact O-N 2.88Å; L557-C560 HydrophobicContact CB-CB 4.44Å; L557-C560 PolarHBondContact O-N 2.68Å; L557-C560 VanDerWaalsContact O-N 3.1Å
558	T	82.2	Confident	86.3	Confident	1 Å²	1	50.8 Å²	50.8	1%	0.006	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-65.4	-37.6	-173	-41.5	0	0	0	0	112	F268 E275 P372 I512 V513 C560 L561 Y566	F268-T558 HydrophobicContact CE1-CG2 4.13Å; F268-T558 VanDerWaalsContact CE1-OG1 3.27Å; F268-T558 WeakPolarHBondContact CE1-OG1 3.39Å; E275-T558 VanDerWaalsContact OE2-CB 3.28Å; E275-T558 WeakPolarHBondContact OE2-CB 3.42Å; E275-T558 PolarHBondContact OE2-N 2.87Å; E275-T558 PolarHBondContact OE2-OG1 3.44Å; P372-T558 HydrophobicContact CG-CG2 3.43Å; P372-T558 VanDerWaalsContact CG-CG2 3.43Å; I512-T558 HydrophobicContact CG2-CG2 3.53Å; I512-T558 VanDerWaalsContact CG2-O 3.27Å; I512-T558 WeakPolarHBondContact CG2-O 3.47Å; V513-T558 HydrophobicContact CG1-CG2 4.38Å; T558-C560 PolarHBondContact O-N 3.14Å; T558-L561 PolarHBondContact O-N 2.94Å; T558-L561 VanDerWaalsContact O-N 3.07Å; T558-Y566 HydrophobicContact CG2-CD2 4.16Å; T558-Y566 HydrophobicContact CG2-CE2 4.03Å
559	N	81.1	Confident	86.9	Confident	85 Å²	85	48.8 Å²	48.8	46%	0.455	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-61.7	-17	177.9	-64.9	5.3	0	0	0	113.7	V513 L557	V513-N559 WeakPolarHBondContact CG1-OD1 3.37Å; L557-N559 VanDerWaalsContact C-N 3.3Å; L557-N559 PolarHBondContact O-N 2.88Å
560	C	85.3	Confident	87.7	Confident	99 Å²	99	46.1 Å²	46.1	67%	0.669	25%	0.248	S	C	*	.	G	3₁₀ helix	trans	-98.6	0.4	-179.2	-57.6	0	0	0	0	113.1	L557 T558	L557-C560 HydrophobicContact CB-CB 4.44Å; L557-C560 PolarHBondContact O-N 2.68Å; L557-C560 VanDerWaalsContact O-N 3.1Å; T558-C560 PolarHBondContact O-N 3.14Å
561	L	89.3	Confident	88.4	Confident	7 Å²	7	40.7 Å²	40.7	4%	0.037	22%	0.215	C	C	.	.			trans	-97.6	131.1	-177	-65.5	172.4	0	0	0	110.8	R511 I512 K556 T558 N565 Y566	R511-L561 WeakPolarHBondContact CA-O 3.33Å; I512-L561 HydrophobicContact CG2-CB 4.09Å; I512-L561 PolarHBondContact N-O 2.93Å; K556-L561 HydrophobicContact CB-CD1 4.18Å; K556-L561 HydrophobicContact CB-CD2 3.83Å; K556-L561 HydrophobicContact CB-CG 4.22Å; K556-L561 HydrophobicContact CD-CD2 3.58Å; K556-L561 HydrophobicContact CG-CD2 4.26Å; T558-L561 PolarHBondContact O-N 2.94Å; T558-L561 VanDerWaalsContact O-N 3.07Å; L561-N565 HydrophobicContact CD2-CB 4.03Å; L561-Y566 HydrophobicContact CD1-CD2 3.93Å
562	S	93.1	Very high	88.9	Confident	18 Å²	18	37 Å²	37	13%	0.126	20%	0.198	C	C	.	.	B	Isolated β-bridge	trans	-65.2	161.5	156.8	63.7	0	0	0	0	110.1	T509 T510 S564 N565 Y566	T509-S562 VanDerWaalsContact O-CB 3.28Å; T509-S562 WeakPolarHBondContact O-CB 3.31Å; T510-S562 CarbonylContact O-C 3.59Å; T510-S562 VanDerWaalsContact O-CA 3.23Å; T510-S562 WeakPolarHBondContact O-CA 3.42Å; S562-S564 VanDerWaalsContact C-N 3.31Å; S562-S564 PolarHBondContact O-N 3.45Å; S562-S564 PolarHBondContact OG-OG 2.95Å; S562-S564 VanDerWaalsContact OG-OG 3.12Å; S562-N565 PolarHBondContact O-N 3.41Å; S562-N565 WeakPolarHBondContact OG-CB 3.4Å; S562-N565 PolarHBondContact OG-N 3.46Å; S562-N565 PolarHBondContact OG-ND2 2.84Å; S562-Y566 VanDerWaalsContact O-CB 3.31Å; S562-Y566 WeakPolarHBondContact O-CB 3.07Å; S562-Y566 PolarHBondContact O-N 2.96Å
563	V	94	Very high	89.2	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-55.5	-45.8	174.9	170.4	0	0	0	0	111.3	V504 E505 R508 T510 I512 H515 V518 Y566 C567	V504-V563 HydrophobicContact CG1-CG2 4.36Å; E505-V563 WeakPolarHBondContact O-CG1 3.23Å; R508-V563 HydrophobicContact CB-CB 3.93Å; R508-V563 HydrophobicContact CB-CG1 4.23Å; R508-V563 HydrophobicContact CB-CG2 4.13Å; R508-V563 WeakPolarHBondContact O-CB 3.35Å; R508-V563 PolarHBondContact O-N 2.91Å; T510-V563 PolarHBondContact O-N 3.41Å; I512-V563 HydrophobicContact CD1-CG2 4.15Å; H515-V563 WeakPolarHBondContact CD2-CG2 3.19Å; V518-V563 HydrophobicContact CB-CG1 4.29Å; V518-V563 HydrophobicContact CG1-CG1 3.48Å; V518-V563 VanDerWaalsContact CG1-CG1 3.48Å; V518-V563 HydrophobicContact CG2-CG1 3.74Å; V563-Y566 WeakPolarHBondContact O-CB 3.3Å; V563-Y566 PolarHBondContact O-N 3.02Å; V563-C567 PolarHBondContact O-N 3.42Å; V563-C567 PolarHBondContact O-SG 2.84Å
564	S	92.6	Very high	89.6	Confident	2 Å²	2	35.4 Å²	35.4	1%	0.014	19%	0.187	C	C	.	.	H	α-helix	trans	-61	-47.2	178.1	62.4	0	0	0	0	113.4	S506 R508 S562 Y566 C567 N568	S506-S564 VanDerWaalsContact O-CA 3.25Å; S506-S564 WeakPolarHBondContact O-CA 3.32Å; R508-S564 PolarHBondContact O-N 2.69Å; S562-S564 VanDerWaalsContact C-N 3.31Å; S562-S564 PolarHBondContact O-N 3.45Å; S562-S564 PolarHBondContact OG-OG 2.95Å; S562-S564 VanDerWaalsContact OG-OG 3.12Å; S564-Y566 VanDerWaalsContact C-N 3.31Å; S564-Y566 PolarHBondContact O-N 3.31Å; S564-C567 PolarHBondContact O-N 3.4Å; S564-N568 PolarHBondContact O-N 3.05Å; S564-N568 VanDerWaalsContact O-N 3.11Å; S564-N568 PolarHBondContact O-ND2 3.34Å
565	N	92.8	Very high	90.1	Very high	71 Å²	71	30.5 Å²	30.5	38%	0.38	17%	0.166	S	C	.	.	H	α-helix	trans	-66.4	-34.7	177.9	-76.2	-39.8	0	0	0	111.9	L561 S562 H569	L561-N565 HydrophobicContact CD2-CB 4.03Å; S562-N565 PolarHBondContact O-N 3.41Å; S562-N565 WeakPolarHBondContact OG-CB 3.4Å; S562-N565 PolarHBondContact OG-N 3.46Å; S562-N565 PolarHBondContact OG-ND2 2.84Å; N565-H569 WeakPolarHBondContact O-CB 3.34Å; N565-H569 PolarHBondContact O-N 3.46Å
566	Y	94.5	Very high	90.6	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-62.2	-48.4	172.8	178.9	-97.7	0	0	0	111.3	F268 F369 L370 I512 T558 L561 S562 V563 S564 N568 H569 I570	F268-Y566 AromaticContact CD1-CE2 3.99Å; F268-Y566 HydrophobicContact CD1-CE2 3.99Å; F268-Y566 AromaticContact CE1-CE2 3.84Å; F268-Y566 HydrophobicContact CE1-CE2 3.84Å; F369-Y566 HydrophobicContact CB-CE1 4.28Å; L370-Y566 WeakPolarHBondContact O-CE1 3.33Å; L370-Y566 PolarHBondContact O-OH 3.01Å; I512-Y566 HydrophobicContact CB-CD2 4.3Å; I512-Y566 HydrophobicContact CB-CG 4.05Å; I512-Y566 HydrophobicContact CD1-CD1 3.59Å; I512-Y566 HydrophobicContact CD1-CE1 4.03Å; I512-Y566 HydrophobicContact CD1-CG 3.95Å; I512-Y566 HydrophobicContact CG1-CD1 3.64Å; I512-Y566 HydrophobicContact CG1-CD2 3.82Å; I512-Y566 HydrophobicContact CG1-CE1 4.02Å; I512-Y566 HydrophobicContact CG1-CE2 4.18Å; I512-Y566 HydrophobicContact CG1-CG 3.53Å; I512-Y566 HydrophobicContact CG2-CD2 4.03Å; I512-Y566 HydrophobicContact CG2-CG 4.27Å; T558-Y566 HydrophobicContact CG2-CD2 4.16Å; T558-Y566 HydrophobicContact CG2-CE2 4.03Å; L561-Y566 HydrophobicContact CD1-CD2 3.93Å; S562-Y566 VanDerWaalsContact O-CB 3.31Å; S562-Y566 WeakPolarHBondContact O-CB 3.07Å; S562-Y566 PolarHBondContact O-N 2.96Å; V563-Y566 WeakPolarHBondContact O-CB 3.3Å; V563-Y566 PolarHBondContact O-N 3.02Å; S564-Y566 VanDerWaalsContact C-N 3.31Å; S564-Y566 PolarHBondContact O-N 3.31Å; Y566-N568 PolarHBondContact O-N 2.82Å; Y566-H569 WeakPolarHBondContact O-CB 3.31Å; Y566-H569 PolarHBondContact O-N 2.93Å; Y566-I570 HydrophobicContact CD1-CG1 3.96Å; Y566-I570 HydrophobicContact CD2-CD1 4.42Å; Y566-I570 HydrophobicContact CD2-CG1 4.01Å; Y566-I570 HydrophobicContact CE1-CD1 4.42Å; Y566-I570 HydrophobicContact CE1-CG1 3.57Å; Y566-I570 HydrophobicContact CE2-CD1 3.75Å; Y566-I570 HydrophobicContact CE2-CG1 3.62Å; Y566-I570 HydrophobicContact CG-CG1 4.16Å; Y566-I570 WeakPolarHBondContact O-CB 3.2Å; Y566-I570 VanDerWaalsContact O-CG1 3.28Å; Y566-I570 WeakPolarHBondContact O-CG1 3.29Å; Y566-I570 PolarHBondContact O-N 3.49Å
567	C	95.7	Very high	90.9	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-59.5	-47.2	179.1	-63.2	0	0	0	0	111.9	F369 F527 V563 S564 H569 I570 A571	F369-C567 HydrophobicContact CE1-CB 4.45Å; F369-C567 HydrophobicContact CE2-CB 4.08Å; F369-C567 HydrophobicContact CZ-CB 4.05Å; F527-C567 HydrophobicContact CB-CB 3.85Å; F527-C567 HydrophobicContact CD1-CB 3.6Å; F527-C567 HydrophobicContact CD2-CB 3.62Å; F527-C567 HydrophobicContact CE1-CB 4.05Å; F527-C567 HydrophobicContact CE2-CB 4.08Å; F527-C567 HydrophobicContact CG-CB 3.36Å; F527-C567 HydrophobicContact CZ-CB 4.27Å; V563-C567 PolarHBondContact O-N 3.42Å; V563-C567 PolarHBondContact O-SG 2.84Å; S564-C567 PolarHBondContact O-N 3.4Å; C567-H569 PolarHBondContact O-N 3.43Å; C567-I570 PolarHBondContact O-N 3.33Å; C567-A571 WeakPolarHBondContact O-CB 3.29Å; C567-A571 PolarHBondContact O-N 3.01Å
568	N	93.6	Very high	91.2	Very high	32 Å²	32	24.7 Å²	24.7	17%	0.171	13%	0.133	C	C	.	.	H	α-helix	trans	-58.6	-46	175.2	-83.7	-53.3	0	0	0	112.1	D526 F527 S564 Y566 S572	D526-N568 PolarHBondContact O-ND2 3.45Å; F527-N568 HydrophobicContact CD2-CB 4.38Å; F527-N568 WeakPolarHBondContact CD2-OD1 3.42Å; S564-N568 PolarHBondContact O-N 3.05Å; S564-N568 VanDerWaalsContact O-N 3.11Å; S564-N568 PolarHBondContact O-ND2 3.34Å; Y566-N568 PolarHBondContact O-N 2.82Å; N568-S572 VanDerWaalsContact O-CB 3.25Å; N568-S572 WeakPolarHBondContact O-CB 3.47Å; N568-S572 PolarHBondContact O-N 2.98Å; N568-S572 PolarHBondContact O-OG 3.23Å
569	H	93.8	Very high	91.2	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-61.6	-48.1	178.6	-177.5	65.5	0	0	0	112.2	F268 D552 K554 N565 Y566 C567 R573	F268-H569 AromaticContact CE2-CD2 3.89Å; F268-H569 AromaticContact CE2-NE2 3.61Å; D552-H569 PolarHBondContact O-ND1 3.48Å; K554-H569 PolarHBondContact O-CE1 2.84Å; N565-H569 WeakPolarHBondContact O-CB 3.34Å; N565-H569 PolarHBondContact O-N 3.46Å; Y566-H569 WeakPolarHBondContact O-CB 3.31Å; Y566-H569 PolarHBondContact O-N 2.93Å; C567-H569 PolarHBondContact O-N 3.43Å; H569-R573 WeakPolarHBondContact CE1-CD 3.41Å; H569-R573 VanDerWaalsContact NE2-CD 3.32Å; H569-R573 WeakPolarHBondContact NE2-CD 3.21Å; H569-R573 WeakPolarHBondContact O-CB 2.89Å; H569-R573 VanDerWaalsContact O-CG 3.26Å; H569-R573 WeakPolarHBondContact O-CG 3.26Å; H569-R573 PolarHBondContact O-N 2.75Å; H569-R573 VanDerWaalsContact O-N 3.07Å
570	I	95.6	Very high	91.2	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-67.6	-45.7	-178.8	-67.3	-57.3	0	0	0	111.5	S264 S265 F268 F369 Y566 C567 R573 G574	S264-I570 WeakPolarHBondContact OG-CG2 3.24Å; S264-I570 PolarHBondContact OG-O 3.21Å; S265-I570 VanDerWaalsContact N-CG2 3.33Å; F268-I570 HydrophobicContact CB-CD1 3.52Å; F268-I570 HydrophobicContact CD1-CD1 3.7Å; F268-I570 HydrophobicContact CD2-CD1 3.59Å; F268-I570 HydrophobicContact CE1-CD1 4.28Å; F268-I570 HydrophobicContact CE2-CD1 4.17Å; F268-I570 HydrophobicContact CG-CD1 3.31Å; F268-I570 HydrophobicContact CZ-CD1 4.49Å; F369-I570 HydrophobicContact CD1-CB 4.06Å; F369-I570 HydrophobicContact CD1-CG2 3.71Å; F369-I570 HydrophobicContact CE1-CB 4.1Å; F369-I570 HydrophobicContact CE1-CG2 3.87Å; Y566-I570 HydrophobicContact CD1-CG1 3.96Å; Y566-I570 HydrophobicContact CD2-CD1 4.42Å; Y566-I570 HydrophobicContact CD2-CG1 4.01Å; Y566-I570 HydrophobicContact CE1-CD1 4.42Å; Y566-I570 HydrophobicContact CE1-CG1 3.57Å; Y566-I570 HydrophobicContact CE2-CD1 3.75Å; Y566-I570 HydrophobicContact CE2-CG1 3.62Å; Y566-I570 HydrophobicContact CG-CG1 4.16Å; Y566-I570 WeakPolarHBondContact O-CB 3.2Å; Y566-I570 VanDerWaalsContact O-CG1 3.28Å; Y566-I570 WeakPolarHBondContact O-CG1 3.29Å; Y566-I570 PolarHBondContact O-N 3.49Å; C567-I570 PolarHBondContact O-N 3.33Å; I570-R573 PolarHBondContact O-N 2.97Å; I570-G574 PolarHBondContact O-N 3.45Å
571	A	95.4	Very high	91	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-61.4	-48.5	-179.8	0	0	0	0	0	111.2	T260 F261 F369 F527 F532 C567 R573 G574 L575	T260-A571 WeakPolarHBondContact O-CA 3.23Å; F261-A571 HydrophobicContact CD1-CB 4.2Å; F261-A571 HydrophobicContact CE1-CB 4.06Å; F369-A571 HydrophobicContact CE1-CB 4.42Å; F369-A571 HydrophobicContact CZ-CB 4.49Å; F527-A571 HydrophobicContact CE2-CB 3.73Å; F527-A571 HydrophobicContact CZ-CB 4.06Å; F532-A571 HydrophobicContact CD1-CB 4.26Å; F532-A571 HydrophobicContact CD2-CB 4.08Å; F532-A571 HydrophobicContact CE1-CB 3.88Å; F532-A571 HydrophobicContact CE2-CB 3.67Å; F532-A571 HydrophobicContact CG-CB 4.36Å; F532-A571 HydrophobicContact CZ-CB 3.57Å; F532-A571 WeakPolarHBondContact CZ-O 3.24Å; C567-A571 WeakPolarHBondContact O-CB 3.29Å; C567-A571 PolarHBondContact O-N 3.01Å; A571-R573 PolarHBondContact O-N 3.31Å; A571-G574 PolarHBondContact O-N 3.4Å; A571-L575 WeakPolarHBondContact O-CB 3.49Å; A571-L575 PolarHBondContact O-N 2.91Å
572	S	93.9	Very high	90.7	Very high	7 Å²	7	27 Å²	27	5%	0.049	13%	0.13	C	C	.	.	H	α-helix	trans	-62.6	-42.3	178.7	-63.7	0	0	0	0	112.7	D552 N568 L575 V576	D552-S572 WeakPolarHBondContact CB-OG 3.16Å; N568-S572 VanDerWaalsContact O-CB 3.25Å; N568-S572 WeakPolarHBondContact O-CB 3.47Å; N568-S572 PolarHBondContact O-N 2.98Å; N568-S572 PolarHBondContact O-OG 3.23Å; S572-L575 PolarHBondContact O-N 3.36Å; S572-V576 PolarHBondContact O-N 3.38Å; S572-V576 VanDerWaalsContact O-N 3.13Å
573	R	91.5	Very high	90	Very high	44 Å²	44	27 Å²	27	17%	0.166	13%	0.13	C	C	.	.	H	α-helix	trans	-71.1	-36.6	176.9	-72	-177.4	70.4	100.9	-0.3	112.8	L553 H569 I570 A571 L575 V576 R577	L553-R573 HydrophobicContact CD2-CG 4.08Å; L553-R573 PolarHBondContact O-NH1 2.9Å; L553-R573 VanDerWaalsContact O-NH1 3.1Å; H569-R573 WeakPolarHBondContact CE1-CD 3.41Å; H569-R573 VanDerWaalsContact NE2-CD 3.32Å; H569-R573 WeakPolarHBondContact NE2-CD 3.21Å; H569-R573 WeakPolarHBondContact O-CB 2.89Å; H569-R573 VanDerWaalsContact O-CG 3.26Å; H569-R573 WeakPolarHBondContact O-CG 3.26Å; H569-R573 PolarHBondContact O-N 2.75Å; H569-R573 VanDerWaalsContact O-N 3.07Å; I570-R573 PolarHBondContact O-N 2.97Å; A571-R573 PolarHBondContact O-N 3.31Å; R573-L575 VanDerWaalsContact C-N 3.27Å; R573-V576 PolarHBondContact O-N 3.5Å; R573-R577 WeakPolarHBondContact O-CG 3.46Å; R573-R577 PolarHBondContact O-N 3.46Å
574	G	92.7	Very high	89.2	Confident	2 Å²	2	33.8 Å²	33.8	2%	0.021	16%	0.156	C	C	.	.	H	α-helix	trans	-61.3	-40.6	174.8	0	0	0	0	0	111.1	S264 I570 A571 R577 S578	S264-G574 WeakPolarHBondContact OG-CA 3.33Å; S264-G574 PolarHBondContact OG-N 2.91Å; I570-G574 PolarHBondContact O-N 3.45Å; A571-G574 PolarHBondContact O-N 3.4Å; G574-R577 PolarHBondContact O-N 3.12Å; G574-S578 VanDerWaalsContact O-CB 3.29Å; G574-S578 WeakPolarHBondContact O-CB 3.37Å; G574-S578 PolarHBondContact O-N 3.25Å; G574-S578 PolarHBondContact O-OG 3.28Å
575	L	91.9	Very high	88.4	Confident	5 Å²	5	37.5 Å²	37.5	3%	0.026	17%	0.173	C	C	.	.	H	α-helix	trans	-61.1	-54.7	174.2	175.7	55.1	0	0	0	110.7	T260 F532 L536 V546 I548 A571 S572 R573 R577 S578 L579 L582	T260-L575 HydrophobicContact CG2-CB 4.02Å; F532-L575 HydrophobicContact CZ-CB 4.3Å; F532-L575 HydrophobicContact CZ-CD2 4.3Å; L536-L575 HydrophobicContact CD1-CD1 3.75Å; L536-L575 HydrophobicContact CD1-CD2 3.91Å; L536-L575 HydrophobicContact CD1-CG 4.49Å; L536-L575 HydrophobicContact CD2-CD1 3.9Å; L536-L575 HydrophobicContact CD2-CD2 4.01Å; L536-L575 HydrophobicContact CG-CD1 4.46Å; V546-L575 HydrophobicContact CG1-CD1 4.45Å; V546-L575 HydrophobicContact CG1-CD2 3.77Å; V546-L575 HydrophobicContact CG1-CG 4.42Å; I548-L575 HydrophobicContact CD1-CB 4.36Å; I548-L575 HydrophobicContact CD1-CD2 3.56Å; I548-L575 HydrophobicContact CD1-CG 3.68Å; I548-L575 HydrophobicContact CG1-CD2 3.73Å; I548-L575 HydrophobicContact CG1-CG 4.41Å; A571-L575 WeakPolarHBondContact O-CB 3.49Å; A571-L575 PolarHBondContact O-N 2.91Å; S572-L575 PolarHBondContact O-N 3.36Å; R573-L575 VanDerWaalsContact C-N 3.27Å; L575-R577 VanDerWaalsContact C-N 3.26Å; L575-R577 PolarHBondContact O-N 2.99Å; L575-S578 CarbonylContact O-C 3.56Å; L575-S578 WeakPolarHBondContact O-CA 3.35Å; L575-S578 PolarHBondContact O-N 2.89Å; L575-L579 HydrophobicContact CD1-CD2 3.82Å; L575-L579 HydrophobicContact CD1-CG 4.4Å; L575-L579 HydrophobicContact CG-CD2 4.26Å; L575-L579 WeakPolarHBondContact O-CG 3.33Å; L575-L579 PolarHBondContact O-N 3.32Å; L575-L582 HydrophobicContact CD1-CD1 4.01Å
576	V	89.8	Confident	87.5	Confident	47 Å²	47	35.8 Å²	35.8	29%	0.285	16%	0.162	S	C	.	.	H	α-helix	trans	-54.5	-41.3	178.2	173.1	0	0	0	0	112.4	I203 I548 L553 S572 R573 S578	I203-V576 HydrophobicContact CD1-CG1 4.37Å; I548-V576 HydrophobicContact CD1-CG2 3.54Å; L553-V576 HydrophobicContact CD1-CG2 4Å; L553-V576 HydrophobicContact CD2-CB 4.47Å; L553-V576 HydrophobicContact CD2-CG2 3.59Å; L553-V576 HydrophobicContact CG-CG2 4.46Å; S572-V576 PolarHBondContact O-N 3.38Å; S572-V576 VanDerWaalsContact O-N 3.13Å; R573-V576 PolarHBondContact O-N 3.5Å; V576-S578 VanDerWaalsContact C-N 3.25Å; V576-S578 PolarHBondContact O-N 3.01Å
577	R	87.4	Confident	86.3	Confident	92 Å²	92	43.6 Å²	43.6	35%	0.347	20%	0.198	S	C	.	.	H	α-helix	trans	-65.6	-29.3	176.9	-75.6	173.7	174.1	179.6	-5.5	113.4	E271 R573 G574 L575	E271-R577 IonicContact OE1-CZ 3.17Å; E271-R577 IonicContact OE1-NH1 2.79Å; E271-R577 IonicContact OE1-NH2 2.71Å; E271-R577 PolarHBondContact OE1-NH2 3.43Å; E271-R577 IonicContact OE2-CZ 3.91Å; E271-R577 IonicContact OE2-NH1 2.64Å; E271-R577 PolarHBondContact OE2-NH1 2.88Å; E271-R577 IonicContact OE2-NH2 3.12Å; E271-R577 PolarHBondContact OE2-NH2 3.38Å; R573-R577 WeakPolarHBondContact O-CG 3.46Å; R573-R577 PolarHBondContact O-N 3.46Å; G574-R577 PolarHBondContact O-N 3.12Å; L575-R577 VanDerWaalsContact C-N 3.26Å; L575-R577 PolarHBondContact O-N 2.99Å
578	S	88.1	Confident	84.6	Confident	7 Å²	7	46.4 Å²	46.4	5%	0.049	21%	0.213	C	C	.	.	H	α-helix	trans	-98.9	-10.7	-173.5	-51.9	0	0	0	0	112.7	G574 L575 V576 E580 R581 L582	G574-S578 VanDerWaalsContact O-CB 3.29Å; G574-S578 WeakPolarHBondContact O-CB 3.37Å; G574-S578 PolarHBondContact O-N 3.25Å; G574-S578 PolarHBondContact O-OG 3.28Å; L575-S578 CarbonylContact O-C 3.56Å; L575-S578 WeakPolarHBondContact O-CA 3.35Å; L575-S578 PolarHBondContact O-N 2.89Å; V576-S578 VanDerWaalsContact C-N 3.25Å; V576-S578 PolarHBondContact O-N 3.01Å; S578-E580 PolarHBondContact O-N 3.44Å; S578-R581 WeakPolarHBondContact O-CA 3.47Å; S578-R581 WeakPolarHBondContact O-CB 3.29Å; S578-R581 PolarHBondContact O-N 2.93Å; S578-L582 WeakPolarHBondContact O-CG 3.44Å; S578-L582 PolarHBondContact O-N 3.03Å
579	L	83.7	Confident	82.4	Confident	58 Å²	58	48.8 Å²	48.8	30%	0.304	22%	0.224	S	C	.	.	H	α-helix	trans	-51.5	-48.8	-175.5	-81.4	177.4	0	0	0	112.9	V546 I548 L575 R581 L582 A583	V546-L579 HydrophobicContact CG1-CD2 4.37Å; I548-L579 HydrophobicContact CD1-CD1 4.32Å; L575-L579 HydrophobicContact CD1-CD2 3.82Å; L575-L579 HydrophobicContact CD1-CG 4.4Å; L575-L579 HydrophobicContact CG-CD2 4.26Å; L575-L579 WeakPolarHBondContact O-CG 3.33Å; L575-L579 PolarHBondContact O-N 3.32Å; L579-R581 PolarHBondContact O-N 3.5Å; L579-L582 PolarHBondContact O-N 3.16Å; L579-A583 WeakPolarHBondContact O-CB 3.44Å; L579-A583 PolarHBondContact O-N 3.1Å
580	E	80.3	Confident	80	Confident	113 Å²	113	55 Å²	55	53%	0.528	26%	0.262	S	S	.	.	H	α-helix	trans	-61.2	-34.7	180	-169.9	-168.1	157.1	0	0	112.2	S578 R584 M589	S578-E580 PolarHBondContact O-N 3.44Å; E580-R584 WeakPolarHBondContact O-CG 3.44Å; E580-R584 PolarHBondContact O-N 3.24Å; E580-R584 VanDerWaalsContact O-N 3.15Å; E580-R584 PolarHBondContact O-NE 3.02Å; E580-R584 IonicContact OE1-CZ 3.77Å; E580-R584 IonicContact OE1-NH1 2.7Å; E580-R584 IonicContact OE1-NH2 3.82Å; E580-R584 PolarHBondContact OE1-NH2 3.08Å; E580-R584 IonicContact OE2-NH2 2.92Å; E580-M589 HydrophobicContact CG-CE 4.14Å
581	R	81.5	Confident	77.1	Confident	68 Å²	68	64 Å²	64	26%	0.257	33%	0.325	S	S	.	.	H	α-helix	trans	-78.6	-43.1	179.6	-171.3	170.3	-167.8	131.1	3.9	111.9	M259 P302 L303 L304 P305 S578 L579 A583 R584 H585	M259-R581 HydrophobicContact CE-CG 4.39Å; P302-R581 PolarHBondContact O-NH2 3.26Å; L303-R581 PolarHBondContact O-NE 3.47Å; L304-R581 VanDerWaalsContact C-CZ 3.49Å; L304-R581 PolarHBondContact O-NE 2.9Å; L304-R581 PolarHBondContact O-NH1 3.39Å; L304-R581 PolarHBondContact O-NH2 3.29Å; P305-R581 VanDerWaalsContact C-NH1 3.26Å; S578-R581 WeakPolarHBondContact O-CA 3.47Å; S578-R581 WeakPolarHBondContact O-CB 3.29Å; S578-R581 PolarHBondContact O-N 2.93Å; L579-R581 PolarHBondContact O-N 3.5Å; R581-A583 VanDerWaalsContact C-N 3.29Å; R581-R584 PolarHBondContact O-N 3.49Å; R581-H585 PolarHBondContact O-N 3.09Å
582	L	82.6	Confident	76.2	Confident	2 Å²	2	67.3 Å²	67.3	1%	0.01	34%	0.341	C	S	.	.	H	α-helix	trans	-61.1	-42.4	173.5	-66.7	174.8	0	0	0	110	V256 M259 L540 L575 S578 L579 R584 H585 Y586	V256-L582 HydrophobicContact CG2-CD1 4.29Å; V256-L582 HydrophobicContact CG2-CD2 3.73Å; M259-L582 HydrophobicContact SD-CD2 3.95Å; M259-L582 HydrophobicContact SD-CG 4.29Å; L540-L582 HydrophobicContact CD1-CD1 4.22Å; L540-L582 HydrophobicContact CD2-CB 4.45Å; L575-L582 HydrophobicContact CD1-CD1 4.01Å; S578-L582 WeakPolarHBondContact O-CG 3.44Å; S578-L582 PolarHBondContact O-N 3.03Å; L579-L582 PolarHBondContact O-N 3.16Å; L582-R584 PolarHBondContact O-N 3.18Å; L582-H585 PolarHBondContact O-N 3.29Å; L582-H585 VanDerWaalsContact O-N 3.17Å; L582-Y586 WeakPolarHBondContact O-CB 3.44Å; L582-Y586 WeakPolarHBondContact O-CD2 3.29Å; L582-Y586 PolarHBondContact O-N 3.4Å
583	A	77.6	Confident	75.2	Confident	16 Å²	16	70.4 Å²	70.4	13%	0.132	36%	0.357	C	S	.	.	H	α-helix	trans	-59.4	-43.1	175.1	0	0	0	0	0	112.4	L579 R581 Q587 L588 M589	L579-A583 WeakPolarHBondContact O-CB 3.44Å; L579-A583 PolarHBondContact O-N 3.1Å; R581-A583 VanDerWaalsContact C-N 3.29Å; A583-Q587 CarbonylContact O-C 3.59Å; A583-Q587 PolarHBondContact O-N 2.98Å; A583-L588 HydrophobicContact CB-CB 4.02Å; A583-L588 HydrophobicContact CB-CD1 4.39Å; A583-L588 PolarHBondContact O-N 2.81Å; A583-M589 HydrophobicContact CB-CG 3.95Å
584	R	77.8	Confident	74.3	Confident	144 Å²	144	71.9 Å²	71.9	54%	0.543	37%	0.367	S	S	.	.	H	α-helix	trans	-64.3	-43	173.1	-79	-175.5	-87.3	-157.7	-7.3	112.8	E580 R581 L582 Y586 Q587 M589	E580-R584 WeakPolarHBondContact O-CG 3.44Å; E580-R584 PolarHBondContact O-N 3.24Å; E580-R584 VanDerWaalsContact O-N 3.15Å; E580-R584 PolarHBondContact O-NE 3.02Å; E580-R584 IonicContact OE1-CZ 3.77Å; E580-R584 IonicContact OE1-NH1 2.7Å; E580-R584 IonicContact OE1-NH2 3.82Å; E580-R584 PolarHBondContact OE1-NH2 3.08Å; E580-R584 IonicContact OE2-NH2 2.92Å; R581-R584 PolarHBondContact O-N 3.49Å; L582-R584 PolarHBondContact O-N 3.18Å; R584-Y586 VanDerWaalsContact C-N 3.33Å; R584-Y586 PolarHBondContact O-N 3.41Å; R584-Q587 PolarHBondContact O-N 3.08Å; R584-Q587 VanDerWaalsContact O-N 3.14Å; R584-M589 HydrophobicContact CG-CE 3.76Å
585	H	75.5	Confident	73.2	Confident	79 Å²	79	76 Å²	76	37%	0.366	39%	0.388	S	S	.	.	H	α-helix	trans	-61.8	-42.1	179.2	178.6	55.3	0	0	0	112.4	L303 R581 L582 Q587	L303-H585 VanDerWaalsContact CD1-CE1 3.41Å; L303-H585 WeakPolarHBondContact CD1-CE1 3.43Å; L303-H585 WeakPolarHBondContact CD2-ND1 3.39Å; R581-H585 PolarHBondContact O-N 3.09Å; L582-H585 PolarHBondContact O-N 3.29Å; L582-H585 VanDerWaalsContact O-N 3.17Å; H585-Q587 VanDerWaalsContact C-N 3.27Å; H585-Q587 PolarHBondContact O-N 3.09Å
586	Y	73.6	Confident	72.1	Confident	36 Å²	36	80.4 Å²	80.4	14%	0.141	41%	0.411	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.9	5.3	176.8	-78.8	-82.2	0	0	0	113.8	S252 L540 Q541 L582 R584 L588	S252-Y586 WeakPolarHBondContact CB-OH 3.24Å; S252-Y586 WeakPolarHBondContact OG-CE2 3.3Å; S252-Y586 PolarHBondContact OG-OH 2.97Å; L540-Y586 HydrophobicContact CB-CD1 4.24Å; L540-Y586 HydrophobicContact CB-CD2 3.85Å; L540-Y586 HydrophobicContact CB-CE1 3.95Å; L540-Y586 HydrophobicContact CB-CE2 3.54Å; L540-Y586 HydrophobicContact CB-CG 4.17Å; L540-Y586 HydrophobicContact CD1-CD2 4.41Å; L540-Y586 HydrophobicContact CD1-CE2 3.88Å; L540-Y586 HydrophobicContact CD2-CD2 4.32Å; L540-Y586 HydrophobicContact CG-CD2 4.43Å; L540-Y586 HydrophobicContact CG-CE2 4.19Å; L540-Y586 WeakPolarHBondContact O-CD1 3.4Å; Q541-Y586 HydrophobicContact CB-CE1 4.35Å; Q541-Y586 HydrophobicContact CG-CE1 3.76Å; L582-Y586 WeakPolarHBondContact O-CB 3.44Å; L582-Y586 WeakPolarHBondContact O-CD2 3.29Å; L582-Y586 PolarHBondContact O-N 3.4Å; R584-Y586 VanDerWaalsContact C-N 3.33Å; R584-Y586 PolarHBondContact O-N 3.41Å; Y586-L588 PolarHBondContact O-N 2.89Å; Y586-L588 VanDerWaalsContact O-N 3.14Å
587	Q	70.3	Confident	70.9	Confident	164 Å²	164	82.7 Å²	82.7	77%	0.766	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.3	29.1	-177.1	-56.5	177.1	-6.2	0	0	113.7	A583 R584 H585 M589	A583-Q587 CarbonylContact O-C 3.59Å; A583-Q587 PolarHBondContact O-N 2.98Å; R584-Q587 PolarHBondContact O-N 3.08Å; R584-Q587 VanDerWaalsContact O-N 3.14Å; H585-Q587 VanDerWaalsContact C-N 3.27Å; H585-Q587 PolarHBondContact O-N 3.09Å; Q587-M589 PolarHBondContact O-N 2.91Å
588	L	59.2	Low	69.7	Low	59 Å²	59	82 Å²	82	31%	0.309	42%	0.424	S	S	.	.			trans	-70.9	-20	177.4	-57.6	-179.5	0	0	0	112.7	L540 N543 A583 Y586	L540-L588 HydrophobicContact CD2-CD1 4.08Å; N543-L588 HydrophobicContact CB-CD2 3.5Å; N543-L588 VanDerWaalsContact CB-CD2 3.5Å; N543-L588 WeakPolarHBondContact OD1-CD2 3.48Å; A583-L588 HydrophobicContact CB-CB 4.02Å; A583-L588 HydrophobicContact CB-CD1 4.39Å; A583-L588 PolarHBondContact O-N 2.81Å; Y586-L588 PolarHBondContact O-N 2.89Å; Y586-L588 VanDerWaalsContact O-N 3.14Å
589	M	49.2	Very low	68.3	Low	81 Å²	81	87.8 Å²	87.8	40%	0.399	45%	0.453	S	S	.	.	S	Bend	trans	-91.5	97.9	170.9	-58.6	-142.9	-69.8	0	0	108	E580 A583 R584 Q587 S591	E580-M589 HydrophobicContact CG-CE 4.14Å; A583-M589 HydrophobicContact CB-CG 3.95Å; R584-M589 HydrophobicContact CG-CE 3.76Å; Q587-M589 PolarHBondContact O-N 2.91Å; M589-S591 PolarHBondContact O-N 3.2Å
590	T	41.8	Very low	67	Low	132 Å²	132	90.3 Å²	90.3	81%	0.81	47%	0.465	S	S	*	.			trans	-59.1	132.2	162.3	48.7	0	0	0	0	108.4
591	S	34.6	Very low	65.8	Low	189 Å²	189	88.2 Å²	88.2	100%	1.322	46%	0.46	S	S	*	.			trans	-45.9	0	178.6	57.4	0	0	0	0	114.5	M589	M589-S591 PolarHBondContact O-N 3.2Å

Retrieved 591 of 591 residues in 1371.2 ms (Link to these results)

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