A0A087XZW2_POEFO Loading...

Glycerophosphodiester phosphodiesterase domain containing 2

AlphaFold DB , UniProt , Accession A0A087XZW2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 535 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	46.7	Very low	55.8	Low	172 Å²	172	95 Å²	95	85%	0.847	51%	0.514	S	S	*	.				0	-37.3	0	-88.8	-173.3	-168.3	0	0	114.5	R5 L523	M1-R5 PolarHBondContact O-N 3.26Å; M1-L523 HydrophobicContact CE-CD2 4.21Å
2	A	40.1	Very low	56.9	Low	80 Å²	80	90.5 Å²	90.5	66%	0.661	48%	0.484	S	S	*	.	H	α-helix	trans	-67.1	-42.7	-177.1	0	0	0	0	0	114.3	G4 R5 C6	A2-G4 PolarHBondContact O-N 3.44Å; A2-R5 PolarHBondContact O-N 2.81Å; A2-C6 WeakPolarHBondContact O-CB 3.31Å; A2-C6 PolarHBondContact O-N 3.34Å
3	L	42.6	Very low	57.5	Low	155 Å²	155	85.9 Å²	85.9	81%	0.812	47%	0.466	S	S	*	.	H	α-helix	trans	-60.2	-45.2	-179.8	-120.6	88	0	0	0	113.1	R5 C6 C7	L3-R5 VanDerWaalsContact C-N 3.34Å; L3-R5 PolarHBondContact O-N 3.03Å; L3-C6 PolarHBondContact O-N 3.47Å; L3-C7 VanDerWaalsContact O-CB 3.26Å; L3-C7 WeakPolarHBondContact O-CB 3.33Å; L3-C7 PolarHBondContact O-N 3.33Å
4	G	54.7	Low	58.5	Low	34 Å²	34	84.6 Å²	84.6	35%	0.351	45%	0.454	S	S	.	.	H	α-helix	trans	-72.2	-22.7	-179.8	0	0	0	0	0	114.5	A2 R8	A2-G4 PolarHBondContact O-N 3.44Å; G4-R8 WeakPolarHBondContact O-CB 3.35Å; G4-R8 WeakPolarHBondContact O-CG 3.45Å; G4-R8 PolarHBondContact O-N 3.17Å; G4-R8 PolarHBondContact O-NE 2.77Å
5	R	58.4	Low	59.2	Low	178 Å²	178	79 Å²	79	67%	0.672	42%	0.424	S	S	*	.	H	α-helix	trans	-79.8	-41.8	172	-107.4	-175.8	-97	-171.5	-6.1	111.3	M1 A2 L3 G9	M1-R5 PolarHBondContact O-N 3.26Å; A2-R5 PolarHBondContact O-N 2.81Å; L3-R5 VanDerWaalsContact C-N 3.34Å; L3-R5 PolarHBondContact O-N 3.03Å; R5-G9 PolarHBondContact O-N 3.09Å
6	C	59.1	Low	59.6	Low	92 Å²	92	75.2 Å²	75.2	62%	0.622	41%	0.405	S	S	*	.	H	α-helix	trans	-63.7	-47.1	175.9	-168.5	0	0	0	0	111.5	A2 L3 R8 G9 F10	A2-C6 WeakPolarHBondContact O-CB 3.31Å; A2-C6 PolarHBondContact O-N 3.34Å; L3-C6 PolarHBondContact O-N 3.47Å; C6-R8 PolarHBondContact O-N 2.93Å; C6-G9 PolarHBondContact O-N 3.18Å; C6-F10 WeakPolarHBondContact O-CB 3.39Å; C6-F10 PolarHBondContact O-N 3.38Å
7	C	60.1	Low	59.7	Low	67 Å²	67	74.9 Å²	74.9	45%	0.453	41%	0.409	S	S	.	.	H	α-helix	trans	-62.2	-41.6	178.4	-165.6	0	0	0	0	112.3	L3 S11	L3-C7 VanDerWaalsContact O-CB 3.26Å; L3-C7 WeakPolarHBondContact O-CB 3.33Å; L3-C7 PolarHBondContact O-N 3.33Å; C7-S11 VanDerWaalsContact O-CB 3.31Å; C7-S11 WeakPolarHBondContact O-CB 3.48Å; C7-S11 PolarHBondContact O-N 2.99Å; C7-S11 PolarHBondContact O-OG 3.16Å
8	R	62.3	Low	59.6	Low	110 Å²	110	73.9 Å²	73.9	42%	0.415	41%	0.408	S	S	.	.	H	α-helix	trans	-62.2	-47	172.9	-87.3	-177	-122.5	-155.8	-2.5	113.2	G4 C6 F10 S11 R12 L103 E105	G4-R8 WeakPolarHBondContact O-CB 3.35Å; G4-R8 WeakPolarHBondContact O-CG 3.45Å; G4-R8 PolarHBondContact O-N 3.17Å; G4-R8 PolarHBondContact O-NE 2.77Å; C6-R8 PolarHBondContact O-N 2.93Å; R8-F10 VanDerWaalsContact C-N 3.34Å; R8-S11 PolarHBondContact O-OG 2.94Å; R8-R12 WeakPolarHBondContact O-CB 3.46Å; R8-R12 VanDerWaalsContact O-CG 3.31Å; R8-R12 WeakPolarHBondContact O-CG 3.45Å; R8-R12 PolarHBondContact O-N 3.35Å; R8-L103 HydrophobicContact CG-CB 4.32Å; R8-L103 HydrophobicContact CG-CD1 3.72Å; R8-L103 HydrophobicContact CG-CD2 4.13Å; R8-L103 HydrophobicContact CG-CG 4.27Å; R8-E105 WeakPolarHBondContact CD-OE1 3.4Å
9	G	59.8	Low	59.2	Low	21 Å²	21	80.9 Å²	80.9	22%	0.216	43%	0.428	C	S	.	.	H	α-helix	trans	-65	-40.1	-178.8	0	0	0	0	0	112	R5 C6 A13	R5-G9 PolarHBondContact O-N 3.09Å; C6-G9 PolarHBondContact O-N 3.18Å; G9-A13 WeakPolarHBondContact O-CB 3.49Å; G9-A13 PolarHBondContact O-N 2.89Å
10	F	66.4	Low	58.8	Low	134 Å²	134	85.2 Å²	85.2	59%	0.588	45%	0.445	S	S	*	.	H	α-helix	trans	-70.9	-46.5	178.3	-171	-99.7	0	0	0	112.3	C6 R8 R12 A13 F14 F96	C6-F10 WeakPolarHBondContact O-CB 3.39Å; C6-F10 PolarHBondContact O-N 3.38Å; R8-F10 VanDerWaalsContact C-N 3.34Å; F10-R12 VanDerWaalsContact C-N 3.35Å; F10-R12 PolarHBondContact O-N 3.42Å; F10-A13 PolarHBondContact O-N 3.1Å; F10-F14 PolarHBondContact O-N 3.09Å; F10-F96 HydrophobicContact CD1-CE1 4.16Å; F10-F96 HydrophobicContact CD1-CZ 4.46Å; F10-F96 HydrophobicContact CE1-CE1 4.12Å; F10-F96 AromaticContact CE1-CZ 3.97Å; F10-F96 HydrophobicContact CE1-CZ 3.97Å
11	S	63.4	Low	58.3	Low	2 Å²	2	88.1 Å²	88.1	1%	0.014	45%	0.454	C	S	.	.	H	α-helix	trans	-66.2	-35.2	179.5	73.4	0	0	0	0	112.8	C7 R8 F15 Q100	C7-S11 VanDerWaalsContact O-CB 3.31Å; C7-S11 WeakPolarHBondContact O-CB 3.48Å; C7-S11 PolarHBondContact O-N 2.99Å; C7-S11 PolarHBondContact O-OG 3.16Å; R8-S11 PolarHBondContact O-OG 2.94Å; S11-F15 WeakPolarHBondContact O-CB 3.39Å; S11-F15 PolarHBondContact O-N 2.98Å; S11-Q100 PolarHBondContact O-NE2 2.69Å
12	R	68.8	Low	58.6	Low	41 Å²	41	85.4 Å²	85.4	16%	0.155	44%	0.44	C	S	.	.	H	α-helix	trans	-68.2	-49.8	172.7	-76.5	179.5	-179.1	171	-0.1	111	R8 F10 F14 F15 S16 C18 E105	R8-R12 WeakPolarHBondContact O-CB 3.46Å; R8-R12 VanDerWaalsContact O-CG 3.31Å; R8-R12 WeakPolarHBondContact O-CG 3.45Å; R8-R12 PolarHBondContact O-N 3.35Å; F10-R12 VanDerWaalsContact C-N 3.35Å; F10-R12 PolarHBondContact O-N 3.42Å; R12-F14 PolarHBondContact O-N 3.21Å; R12-F15 PolarHBondContact O-N 3.27Å; R12-F15 VanDerWaalsContact O-N 3.14Å; R12-S16 PolarHBondContact O-N 3.18Å; R12-S16 PolarHBondContact O-OG 3.45Å; R12-C18 CarbonylContact C-O 3.49Å; R12-E105 IonicContact CZ-OE1 2.66Å; R12-E105 IonicContact CZ-OE2 3.22Å; R12-E105 IonicContact NE-OE1 2.95Å; R12-E105 PolarHBondContact NE-OE1 2.73Å; R12-E105 IonicContact NE-OE2 3.29Å; R12-E105 PolarHBondContact NE-OE2 2.91Å; R12-E105 IonicContact NH2-OE1 3.87Å; R12-E105 PolarHBondContact NH2-OE1 3.28Å; R12-E105 IonicContact NH2-OE2 2.64Å; R12-E105 PolarHBondContact NH2-OE2 2.58Å
13	A	64.6	Low	58.9	Low	31 Å²	31	93.4 Å²	93.4	26%	0.256	45%	0.453	S	S	.	.	H	α-helix	trans	-57.4	-37.1	179.6	0	0	0	0	0	112.4	G9 F10 C17 R19	G9-A13 WeakPolarHBondContact O-CB 3.49Å; G9-A13 PolarHBondContact O-N 2.89Å; F10-A13 PolarHBondContact O-N 3.1Å; A13-C17 WeakPolarHBondContact O-CA 3.35Å; A13-C17 PolarHBondContact O-N 3.19Å; A13-C17 VanDerWaalsContact O-N 3.12Å; A13-R19 HydrophobicContact CB-CG 4.08Å
14	F	71.6	Confident	59.1	Low	68 Å²	68	91.7 Å²	91.7	30%	0.298	44%	0.444	S	S	.	.	H	α-helix	trans	-71.5	-38.5	178.1	-166.9	-90.6	0	0	0	113.3	F10 R12 L92 L93 F96 H113	F10-F14 PolarHBondContact O-N 3.09Å; R12-F14 PolarHBondContact O-N 3.21Å; F14-L92 HydrophobicContact CE1-CD2 4.18Å; F14-L92 HydrophobicContact CE1-CG 4.32Å; F14-L92 HydrophobicContact CE2-CD2 4.49Å; F14-L92 HydrophobicContact CZ-CD2 3.72Å; F14-L92 HydrophobicContact CZ-CG 4.35Å; F14-L93 HydrophobicContact CE1-CD2 4.06Å; F14-F96 HydrophobicContact CB-CD2 4.45Å; F14-F96 HydrophobicContact CB-CE1 4.49Å; F14-F96 HydrophobicContact CB-CE2 4.3Å; F14-F96 HydrophobicContact CB-CZ 4.33Å; F14-F96 AromaticContact CD1-CD2 3.2Å; F14-F96 HydrophobicContact CD1-CD2 3.2Å; F14-F96 AromaticContact CD1-CE2 3.31Å; F14-F96 HydrophobicContact CD1-CE2 3.31Å; F14-F96 AromaticContact CD1-CG 3.96Å; F14-F96 HydrophobicContact CD1-CG 3.96Å; F14-F96 HydrophobicContact CD1-CZ 4.16Å; F14-F96 HydrophobicContact CD2-CE2 4.13Å; F14-F96 HydrophobicContact CD2-CZ 4.46Å; F14-F96 AromaticContact CE1-CD2 3.52Å; F14-F96 HydrophobicContact CE1-CD2 3.52Å; F14-F96 AromaticContact CE1-CE2 3.52Å; F14-F96 HydrophobicContact CE1-CE2 3.52Å; F14-F96 HydrophobicContact CE2-CE2 4.3Å; F14-F96 AromaticContact CG-CD2 3.92Å; F14-F96 HydrophobicContact CG-CD2 3.92Å; F14-F96 AromaticContact CG-CE2 3.64Å; F14-F96 HydrophobicContact CG-CE2 3.64Å; F14-F96 HydrophobicContact CG-CZ 4.06Å; F14-F96 HydrophobicContact CZ-CD2 4.44Å; F14-F96 HydrophobicContact CZ-CE2 4.02Å; F14-H113 PolarHBondContact O-NE2 2.97Å
15	F	68.9	Low	58.5	Low	0 Å²	0	97.5 Å²	97.5	0%	0	47%	0.467	C	S	.	.	H	α-helix	trans	-89.3	-36.5	-171.9	-165.7	-95.5	0	0	0	113.7	S11 R12 F96 A97 L107 D108 L109 H110 H113	S11-F15 WeakPolarHBondContact O-CB 3.39Å; S11-F15 PolarHBondContact O-N 2.98Å; R12-F15 PolarHBondContact O-N 3.27Å; R12-F15 VanDerWaalsContact O-N 3.14Å; F15-F96 HydrophobicContact CD2-CB 4.36Å; F15-A97 HydrophobicContact CE2-CB 3.8Å; F15-A97 HydrophobicContact CZ-CB 4.23Å; F15-L107 HydrophobicContact CE1-CB 3.74Å; F15-L107 HydrophobicContact CE1-CD2 3.91Å; F15-L107 HydrophobicContact CE1-CG 4.33Å; F15-L107 HydrophobicContact CE2-CD2 4.3Å; F15-L107 HydrophobicContact CZ-CB 4.19Å; F15-L107 HydrophobicContact CZ-CD2 3.63Å; F15-D108 VanDerWaalsContact CD1-O 3.28Å; F15-D108 WeakPolarHBondContact CD1-O 3.48Å; F15-L109 HydrophobicContact CD2-CD1 4.25Å; F15-L109 HydrophobicContact CE1-CB 4.06Å; F15-L109 HydrophobicContact CE1-CD1 4.15Å; F15-L109 HydrophobicContact CE2-CD1 3.84Å; F15-L109 HydrophobicContact CZ-CB 4.24Å; F15-L109 HydrophobicContact CZ-CD1 3.78Å; F15-H110 PolarHBondContact O-N 3.06Å; F15-H113 PolarHBondContact O-CD2 2.98Å
16	S	66.8	Low	58.1	Low	18 Å²	18	93.9 Å²	93.9	13%	0.126	46%	0.458	C	S	.	.	H	α-helix	trans	-111.8	-3.8	-176.9	69.9	0	0	0	0	113.7	R12 C18 D108	R12-S16 PolarHBondContact O-N 3.18Å; R12-S16 PolarHBondContact O-OG 3.45Å; S16-C18 PolarHBondContact O-N 3.06Å; S16-C18 VanDerWaalsContact O-N 3.09Å; S16-C18 PolarHBondContact OG-N 3.36Å; S16-C18 PolarHBondContact OG-O 3.38Å; S16-D108 VanDerWaalsContact CA-O 3.31Å; S16-D108 WeakPolarHBondContact CA-O 3.29Å; S16-D108 WeakPolarHBondContact CB-O 3.46Å
17	C	60.9	Low	57.6	Low	70 Å²	70	93.9 Å²	93.9	47%	0.473	46%	0.459	S	S	.	.	S	Bend	trans	57.4	14.2	-171.5	-61.7	0	0	0	0	114.7	A13 H110	A13-C17 WeakPolarHBondContact O-CA 3.35Å; A13-C17 PolarHBondContact O-N 3.19Å; A13-C17 VanDerWaalsContact O-N 3.12Å; C17-H110 HydrophobicContact CB-CB 4.41Å; C17-H110 VanDerWaalsContact SG-CG 3.52Å
18	C	58.2	Low	57.2	Low	57 Å²	57	99.8 Å²	99.8	39%	0.385	48%	0.477	S	S	.	.			trans	-124.2	135.6	-179.6	-79.5	0	0	0	0	111.4	R12 S16	R12-C18 CarbonylContact C-O 3.49Å; S16-C18 PolarHBondContact O-N 3.06Å; S16-C18 VanDerWaalsContact O-N 3.09Å; S16-C18 PolarHBondContact OG-N 3.36Å; S16-C18 PolarHBondContact OG-O 3.38Å
19	R	51.9	Low	57	Low	207 Å²	207	101.6 Å²	101.6	78%	0.781	48%	0.484	S	S	*	.	S	Bend	trans	-85.6	-18.8	175	-87.4	-178.8	156.4	177.9	-4.8	113.7	A13	A13-R19 HydrophobicContact CB-CG 4.08Å
20	E	50.5	Low	57	Low	167 Å²	167	101.3 Å²	101.3	78%	0.78	48%	0.479	S	S	*	.	S	Bend	trans	-98.9	155.6	-175.3	-69.7	-174.5	170.5	0	0	113.4	Q22	E20-Q22 PolarHBondContact O-N 3.33Å
21	K	48.1	Very low	57	Low	147 Å²	147	99.4 Å²	99.4	64%	0.639	48%	0.478	S	S	*	.			trans	-79.7	111.9	-177.8	-168.4	178.7	178.8	-172.9	0	109.6
22	Q	53.2	Low	57.4	Low	115 Å²	115	103.2 Å²	103.2	54%	0.537	50%	0.504	S	S	.	.			trans	-68.6	145.2	172.2	-85.7	178.3	-22	0	0	111.6	E20 D108	E20-Q22 PolarHBondContact O-N 3.33Å; Q22-D108 PolarHBondContact OE1-OD2 2.64Å
23	R	45.9	Very low	58	Low	247 Å²	247	104 Å²	104	93%	0.932	51%	0.507	S	S	*	.			trans	-67.4	140.8	-177.5	-77.4	-178.5	179.3	174.7	0.2	112	N25	R23-N25 PolarHBondContact O-N 3.31Å
24	D	48.2	Very low	58.7	Low	119 Å²	119	103.8 Å²	103.8	64%	0.636	50%	0.503	S	S	*	.	S	Bend	trans	-62.5	108.2	-176.9	-69.4	-44.6	0	0	0	112.1	N106	D24-N106 PolarHBondContact OD1-ND2 2.89Å
25	N	41.7	Very low	59.2	Low	156 Å²	156	104.7 Å²	104.7	83%	0.834	51%	0.514	S	S	*	.			trans	-151.4	8.8	157.6	-131.7	4	0	0	0	116.8	R23	R23-N25 PolarHBondContact O-N 3.31Å
26	E	49.1	Very low	60	Low	103 Å²	103	107.4 Å²	107.4	48%	0.481	53%	0.528	S	S	.	.			trans	-138.8	50.8	-170	-62.5	-163.1	158	0	0	116	K28 R29 S30	E26-K28 VanDerWaalsContact C-N 3.28Å; E26-K28 PolarHBondContact O-N 3.01Å; E26-R29 HydrophobicContact CB-CB 4.28Å; E26-R29 VanDerWaalsContact CD-CD 3.43Å; E26-R29 PolarHBondContact O-N 3.29Å; E26-R29 IonicContact OE1-CZ 3.36Å; E26-R29 IonicContact OE1-NE 2.66Å; E26-R29 IonicContact OE1-NH1 3.89Å; E26-R29 PolarHBondContact OE1-NH1 2.9Å; E26-R29 WeakPolarHBondContact OE2-CD 3.36Å; E26-R29 IonicContact OE2-CZ 3.73Å; E26-R29 IonicContact OE2-NE 3.83Å; E26-R29 IonicContact OE2-NH1 3.49Å; E26-R29 PolarHBondContact OE2-NH1 2.84Å; E26-S30 PolarHBondContact O-N 3.45Å
27	S	50.2	Low	61.1	Low	92 Å²	92	106.7 Å²	106.7	64%	0.643	52%	0.522	S	S	*	.	H	α-helix	trans	-63.3	-28.9	-179.4	89	0	0	0	0	114.4
28	K	51.3	Low	62.5	Low	191 Å²	191	105.6 Å²	105.6	83%	0.83	51%	0.514	S	S	*	.	H	α-helix	trans	-69	-35.7	176.4	-75.7	-175.9	179	178.6	0	113.1	E26	E26-K28 VanDerWaalsContact C-N 3.28Å; E26-K28 PolarHBondContact O-N 3.01Å
29	R	56.8	Low	64	Low	147 Å²	147	106.1 Å²	106.1	56%	0.555	52%	0.515	S	S	*	.	H	α-helix	trans	-72.4	-36	179.5	-82.8	170.7	171.7	-172.9	5.6	112	E26 T31 C32 W33	E26-R29 HydrophobicContact CB-CB 4.28Å; E26-R29 VanDerWaalsContact CD-CD 3.43Å; E26-R29 PolarHBondContact O-N 3.29Å; E26-R29 IonicContact OE1-CZ 3.36Å; E26-R29 IonicContact OE1-NE 2.66Å; E26-R29 IonicContact OE1-NH1 3.89Å; E26-R29 PolarHBondContact OE1-NH1 2.9Å; E26-R29 WeakPolarHBondContact OE2-CD 3.36Å; E26-R29 IonicContact OE2-CZ 3.73Å; E26-R29 IonicContact OE2-NE 3.83Å; E26-R29 IonicContact OE2-NH1 3.49Å; E26-R29 PolarHBondContact OE2-NH1 2.84Å; R29-T31 VanDerWaalsContact C-N 3.33Å; R29-T31 PolarHBondContact O-N 3.16Å; R29-C32 WeakPolarHBondContact O-CB 3.38Å; R29-C32 PolarHBondContact O-N 3.49Å; R29-W33 PolarHBondContact O-N 3.29Å
30	S	61.4	Low	66	Low	16 Å²	16	97 Å²	97	11%	0.112	48%	0.481	C	S	.	.	H	α-helix	trans	-61.5	-36.8	179.1	177.2	0	0	0	0	113.7	E26 C34 L107	E26-S30 PolarHBondContact O-N 3.45Å; S30-C34 PolarHBondContact O-N 3.36Å; S30-L107 WeakPolarHBondContact CA-O 3.4Å; S30-L107 WeakPolarHBondContact OG-CB 3.47Å; S30-L107 WeakPolarHBondContact OG-CD1 3.24Å; S30-L107 PolarHBondContact OG-N 3.11Å
31	T	65.2	Low	68.1	Low	93 Å²	93	89.2 Å²	89.2	57%	0.571	45%	0.445	S	S	*	.	H	α-helix	trans	-69.6	-37.7	177.4	-54.7	0	0	0	0	111.7	R29 W33 C34 V35	R29-T31 VanDerWaalsContact C-N 3.33Å; R29-T31 PolarHBondContact O-N 3.16Å; T31-W33 PolarHBondContact O-N 3.24Å; T31-C34 PolarHBondContact O-N 2.89Å; T31-V35 WeakPolarHBondContact O-CG2 3.44Å; T31-V35 PolarHBondContact O-N 3.03Å
32	C	73.1	Confident	70.2	Confident	82 Å²	82	87.3 Å²	87.3	55%	0.554	44%	0.441	S	S	*	.	H	α-helix	trans	-62.3	-42	178.3	-169.4	0	0	0	0	111.9	R29 V35 M36	R29-C32 WeakPolarHBondContact O-CB 3.38Å; R29-C32 PolarHBondContact O-N 3.49Å; C32-V35 PolarHBondContact O-N 3.38Å; C32-M36 WeakPolarHBondContact O-CB 3.23Å; C32-M36 PolarHBondContact O-N 3.23Å
33	W	80.1	Confident	72.2	Confident	59 Å²	59	85.4 Å²	85.4	22%	0.223	43%	0.434	C	S	.	.	H	α-helix	trans	-67.5	-39.1	179.4	-63.1	124.9	0	0	0	113.3	R29 T31 V35 M36 V37 L109 K114	R29-W33 PolarHBondContact O-N 3.29Å; T31-W33 PolarHBondContact O-N 3.24Å; W33-V35 VanDerWaalsContact C-N 3.35Å; W33-M36 HydrophobicContact CE3-CE 3.81Å; W33-M36 HydrophobicContact CE3-SD 3.78Å; W33-M36 HydrophobicContact CZ3-CE 3.84Å; W33-M36 HydrophobicContact CZ3-SD 3.58Å; W33-M36 VanDerWaalsContact CZ3-SD 3.58Å; W33-M36 PolarHBondContact O-N 2.84Å; W33-V37 WeakPolarHBondContact O-CG2 3.44Å; W33-V37 PolarHBondContact O-N 3.23Å; W33-L109 HydrophobicContact CB-CB 4.31Å; W33-L109 HydrophobicContact CD2-CB 4.24Å; W33-L109 HydrophobicContact CE3-CB 4.43Å; W33-L109 HydrophobicContact CE3-CD2 4.04Å; W33-L109 HydrophobicContact CG-CB 4.17Å; W33-K114 HydrophobicContact CH2-CD 3.62Å; W33-K114 HydrophobicContact CH2-CG 4.33Å; W33-K114 HydrophobicContact CZ2-CD 4.18Å; W33-K114 HydrophobicContact CZ3-CD 3.84Å; W33-K114 HydrophobicContact CZ3-CG 4.05Å
34	C	79.3	Confident	74.6	Confident	26 Å²	26	73.7 Å²	73.7	18%	0.176	39%	0.39	C	S	.	.	H	α-helix	trans	-63.6	-41.8	176.4	-168.7	0	0	0	0	111.7	S30 T31 T38 L107	S30-C34 PolarHBondContact O-N 3.36Å; T31-C34 PolarHBondContact O-N 2.89Å; C34-T38 WeakPolarHBondContact O-CB 3.34Å; C34-T38 PolarHBondContact O-N 2.83Å; C34-T38 PolarHBondContact O-OG1 3.27Å; C34-L107 HydrophobicContact CB-CD1 4.22Å; C34-L107 HydrophobicContact CB-CD2 4.36Å
35	V	82.3	Confident	76.8	Confident	87 Å²	87	71 Å²	71	53%	0.527	38%	0.378	S	S	.	.	H	α-helix	trans	-63.5	-47.3	175.2	173.9	0	0	0	0	110.3	T31 C32 W33 V37 T38 V39	T31-V35 WeakPolarHBondContact O-CG2 3.44Å; T31-V35 PolarHBondContact O-N 3.03Å; C32-V35 PolarHBondContact O-N 3.38Å; W33-V35 VanDerWaalsContact C-N 3.35Å; V35-V37 PolarHBondContact O-N 3.43Å; V35-T38 PolarHBondContact O-N 3.4Å; V35-V39 HydrophobicContact CG1-CG2 4.24Å; V35-V39 WeakPolarHBondContact O-CG2 3.48Å; V35-V39 PolarHBondContact O-N 2.92Å
36	M	86.7	Confident	79.3	Confident	57 Å²	57	67.1 Å²	67.1	28%	0.281	36%	0.362	S	S	.	.	H	α-helix	trans	-57.5	-49.5	178.1	-171.1	-172.4	91.9	0	0	112	C32 W33 T38 V39 M40 L109 I117	C32-M36 WeakPolarHBondContact O-CB 3.23Å; C32-M36 PolarHBondContact O-N 3.23Å; W33-M36 HydrophobicContact CE3-CE 3.81Å; W33-M36 HydrophobicContact CE3-SD 3.78Å; W33-M36 HydrophobicContact CZ3-CE 3.84Å; W33-M36 HydrophobicContact CZ3-SD 3.58Å; W33-M36 VanDerWaalsContact CZ3-SD 3.58Å; W33-M36 PolarHBondContact O-N 2.84Å; M36-T38 VanDerWaalsContact C-N 3.3Å; M36-T38 PolarHBondContact O-N 3.18Å; M36-V39 PolarHBondContact O-N 3.4Å; M36-M40 HydrophobicContact CG-CG 4.47Å; M36-M40 WeakPolarHBondContact O-CB 3.42Å; M36-M40 VanDerWaalsContact O-CG 3.23Å; M36-M40 WeakPolarHBondContact O-CG 3.35Å; M36-M40 PolarHBondContact O-N 2.76Å; M36-L109 HydrophobicContact CE-CD2 3.61Å; M36-I117 HydrophobicContact CE-CD1 3.85Å; M36-I117 HydrophobicContact CE-CG2 4.42Å
37	V	89.8	Confident	81.5	Confident	2 Å²	2	62.5 Å²	62.5	1%	0.012	34%	0.34	C	S	.	.	H	α-helix	trans	-62.2	-39.1	179.1	172	0	0	0	0	111.2	W33 V35 M40 A41 L93 L94 L109	W33-V37 WeakPolarHBondContact O-CG2 3.44Å; W33-V37 PolarHBondContact O-N 3.23Å; V35-V37 PolarHBondContact O-N 3.43Å; V37-M40 PolarHBondContact O-N 2.83Å; V37-A41 WeakPolarHBondContact O-CB 3.45Å; V37-A41 PolarHBondContact O-N 3.31Å; V37-L93 HydrophobicContact CG1-CB 3.96Å; V37-L94 HydrophobicContact CG1-CB 4.07Å; V37-L94 HydrophobicContact CG1-CD1 4.45Å; V37-L109 HydrophobicContact CG2-CD1 4.4Å; V37-L109 HydrophobicContact CG2-CD2 4.09Å
38	T	89.3	Confident	83.7	Confident	48 Å²	48	59.8 Å²	59.8	29%	0.294	32%	0.318	S	S	.	.	H	α-helix	trans	-64.5	-49.8	176.9	-54.2	0	0	0	0	111.4	C34 V35 M36 M40 A41 L42 L94	C34-T38 WeakPolarHBondContact O-CB 3.34Å; C34-T38 PolarHBondContact O-N 2.83Å; C34-T38 PolarHBondContact O-OG1 3.27Å; V35-T38 PolarHBondContact O-N 3.4Å; M36-T38 VanDerWaalsContact C-N 3.3Å; M36-T38 PolarHBondContact O-N 3.18Å; T38-M40 VanDerWaalsContact C-N 3.26Å; T38-M40 PolarHBondContact O-N 3.17Å; T38-A41 PolarHBondContact O-N 3.43Å; T38-L42 HydrophobicContact CG2-CD1 4.35Å; T38-L42 WeakPolarHBondContact O-CG 3.22Å; T38-L42 PolarHBondContact O-N 2.94Å; T38-L94 HydrophobicContact CG2-CD1 4.42Å; T38-L94 WeakPolarHBondContact OG1-CD1 3.34Å
39	V	91.1	Very high	85.8	Confident	68 Å²	68	53.4 Å²	53.4	41%	0.412	29%	0.289	S	S	.	.	H	α-helix	trans	-58.8	-42.1	177.5	170.5	0	0	0	0	110.5	V35 M36 L42 I43	V35-V39 HydrophobicContact CG1-CG2 4.24Å; V35-V39 WeakPolarHBondContact O-CG2 3.48Å; V35-V39 PolarHBondContact O-N 2.92Å; M36-V39 PolarHBondContact O-N 3.4Å; V39-L42 PolarHBondContact O-N 2.67Å; V39-I43 HydrophobicContact CG1-CD1 3.73Å; V39-I43 HydrophobicContact CG1-CG1 4.37Å; V39-I43 WeakPolarHBondContact O-CG1 3.43Å; V39-I43 PolarHBondContact O-N 2.8Å
40	M	92.6	Very high	87.6	Confident	16 Å²	16	47.9 Å²	47.9	8%	0.079	27%	0.271	C	S	.	.	H	α-helix	trans	-69.5	-37.9	179.6	-72.6	-54.5	-40.3	0	0	113.6	M36 V37 T38 L42 I43 S44 F86 I117 V121	M36-M40 HydrophobicContact CG-CG 4.47Å; M36-M40 WeakPolarHBondContact O-CB 3.42Å; M36-M40 VanDerWaalsContact O-CG 3.23Å; M36-M40 WeakPolarHBondContact O-CG 3.35Å; M36-M40 PolarHBondContact O-N 2.76Å; V37-M40 PolarHBondContact O-N 2.83Å; T38-M40 VanDerWaalsContact C-N 3.26Å; T38-M40 PolarHBondContact O-N 3.17Å; M40-L42 VanDerWaalsContact C-N 3.33Å; M40-I43 PolarHBondContact O-N 3.02Å; M40-I43 HydrophobicContact SD-CD1 4.18Å; M40-S44 WeakPolarHBondContact O-CB 3.32Å; M40-S44 PolarHBondContact O-N 3.47Å; M40-S44 PolarHBondContact O-OG 2.91Å; M40-F86 HydrophobicContact CE-CE1 4.47Å; M40-F86 HydrophobicContact CE-CZ 4.26Å; M40-I117 HydrophobicContact CB-CG2 4.31Å; M40-I117 HydrophobicContact CE-CG2 4.11Å; M40-I117 HydrophobicContact CG-CG2 3.62Å; M40-I117 HydrophobicContact SD-CG2 4.09Å; M40-V121 HydrophobicContact CE-CG2 3.17Å; M40-V121 HydrophobicContact SD-CG2 3.54Å; M40-V121 VanDerWaalsContact SD-CG2 3.54Å
41	A	94.2	Very high	89.2	Confident	2 Å²	2	47.1 Å²	47.1	2%	0.017	27%	0.265	C	S	.	.	H	α-helix	trans	-61.8	-42.2	171.2	0	0	0	0	0	111.2	V37 T38 S44 V45 C90 L91 L94	V37-A41 WeakPolarHBondContact O-CB 3.45Å; V37-A41 PolarHBondContact O-N 3.31Å; T38-A41 PolarHBondContact O-N 3.43Å; A41-S44 WeakPolarHBondContact CA-OG 3.37Å; A41-S44 PolarHBondContact O-OG 2.79Å; A41-V45 WeakPolarHBondContact O-CB 3.33Å; A41-V45 VanDerWaalsContact O-CG2 3.26Å; A41-V45 WeakPolarHBondContact O-CG2 3.43Å; A41-V45 PolarHBondContact O-N 3.38Å; A41-C90 HydrophobicContact CB-CB 4.26Å; A41-L91 HydrophobicContact CB-CD2 4.44Å; A41-L94 HydrophobicContact CB-CB 4.13Å; A41-L94 HydrophobicContact CB-CD2 3.78Å
42	L	92.7	Very high	90.6	Very high	107 Å²	107	46.8 Å²	46.8	56%	0.56	26%	0.26	S	S	*	.	H	α-helix	trans	-63.7	-48.8	175.4	-68.3	171.8	0	0	0	112.1	T38 V39 M40 S44 V45 C46	T38-L42 HydrophobicContact CG2-CD1 4.35Å; T38-L42 WeakPolarHBondContact O-CG 3.22Å; T38-L42 PolarHBondContact O-N 2.94Å; V39-L42 PolarHBondContact O-N 2.67Å; M40-L42 VanDerWaalsContact C-N 3.33Å; L42-S44 VanDerWaalsContact C-N 3.34Å; L42-S44 PolarHBondContact O-N 3.02Å; L42-V45 PolarHBondContact O-N 3.42Å; L42-C46 WeakPolarHBondContact O-CB 3.36Å; L42-C46 PolarHBondContact O-N 3.01Å; L42-C46 PolarHBondContact O-SG 3.22Å
43	I	94.7	Very high	91.6	Very high	75 Å²	75	43.3 Å²	43.3	39%	0.385	24%	0.236	S	C	.	.	H	α-helix	trans	-58.5	-46.1	178.3	-70.8	169.5	0	0	0	111	V39 M40 C46 W47 I124	V39-I43 HydrophobicContact CG1-CD1 3.73Å; V39-I43 HydrophobicContact CG1-CG1 4.37Å; V39-I43 WeakPolarHBondContact O-CG1 3.43Å; V39-I43 PolarHBondContact O-N 2.8Å; M40-I43 PolarHBondContact O-N 3.02Å; M40-I43 HydrophobicContact SD-CD1 4.18Å; I43-C46 PolarHBondContact O-N 2.76Å; I43-W47 VanDerWaalsContact O-CB 3.31Å; I43-W47 WeakPolarHBondContact O-CB 3.44Å; I43-W47 PolarHBondContact O-N 2.91Å; I43-I124 HydrophobicContact CG2-CD1 4.4Å
44	S	96.2	Very high	92.3	Very high	2 Å²	2	40.7 Å²	40.7	1%	0.014	23%	0.226	C	C	.	.	H	α-helix	trans	-67	-37.1	-179.5	55	0	0	0	0	113.2	M40 A41 L42 L48 C90	M40-S44 WeakPolarHBondContact O-CB 3.32Å; M40-S44 PolarHBondContact O-N 3.47Å; M40-S44 PolarHBondContact O-OG 2.91Å; A41-S44 WeakPolarHBondContact CA-OG 3.37Å; A41-S44 PolarHBondContact O-OG 2.79Å; L42-S44 VanDerWaalsContact C-N 3.34Å; L42-S44 PolarHBondContact O-N 3.02Å; S44-L48 WeakPolarHBondContact O-CB 3.4Å; S44-L48 PolarHBondContact O-N 3.23Å; S44-C90 WeakPolarHBondContact OG-CB 3.08Å
45	V	95	Very high	93	Very high	62 Å²	62	41.4 Å²	41.4	38%	0.376	23%	0.226	S	C	.	.	H	α-helix	trans	-68.1	-43.9	173.2	170.1	0	0	0	0	111.2	A41 L42 W47 L48 Y49 L91	A41-V45 WeakPolarHBondContact O-CB 3.33Å; A41-V45 VanDerWaalsContact O-CG2 3.26Å; A41-V45 WeakPolarHBondContact O-CG2 3.43Å; A41-V45 PolarHBondContact O-N 3.38Å; L42-V45 PolarHBondContact O-N 3.42Å; V45-W47 VanDerWaalsContact C-N 3.31Å; V45-W47 PolarHBondContact O-N 3.06Å; V45-L48 PolarHBondContact O-N 3.12Å; V45-Y49 PolarHBondContact O-N 3.45Å; V45-L91 HydrophobicContact CG2-CD1 3.99Å; V45-L91 HydrophobicContact CG2-CD2 3.95Å; V45-L91 HydrophobicContact CG2-CG 4.06Å
46	C	94.8	Very high	93.6	Very high	74 Å²	74	37.3 Å²	37.3	50%	0.5	20%	0.201	S	C	.	.	H	α-helix	trans	-61.3	-41.6	175.2	-70.9	0	0	0	0	111.6	L42 I43 Y49 I50	L42-C46 WeakPolarHBondContact O-CB 3.36Å; L42-C46 PolarHBondContact O-N 3.01Å; L42-C46 PolarHBondContact O-SG 3.22Å; I43-C46 PolarHBondContact O-N 2.76Å; C46-Y49 WeakPolarHBondContact O-CB 3.37Å; C46-Y49 PolarHBondContact O-N 3.2Å; C46-I50 WeakPolarHBondContact O-CG1 3.3Å; C46-I50 PolarHBondContact O-N 3.49Å
47	W	95.8	Very high	93.9	Very high	6 Å²	6	34.9 Å²	34.9	2%	0.023	19%	0.189	C	C	.	.	H	α-helix	trans	-64.3	-44.5	175.8	-179.4	-108.2	0	0	0	112	I43 V45 Y49 I50 W51 F83 I124 M127 I128 M131 W139	I43-W47 VanDerWaalsContact O-CB 3.31Å; I43-W47 WeakPolarHBondContact O-CB 3.44Å; I43-W47 PolarHBondContact O-N 2.91Å; V45-W47 VanDerWaalsContact C-N 3.31Å; V45-W47 PolarHBondContact O-N 3.06Å; W47-Y49 VanDerWaalsContact C-N 3.29Å; W47-Y49 PolarHBondContact O-N 3.42Å; W47-I50 HydrophobicContact CZ3-CG2 4.33Å; W47-I50 PolarHBondContact O-N 3.16Å; W47-W51 HydrophobicContact CH2-CE3 4.32Å; W47-W51 AromaticContact CZ2-CE3 3.88Å; W47-W51 HydrophobicContact CZ2-CE3 3.88Å; W47-W51 HydrophobicContact CZ2-CZ3 4.18Å; W47-W51 WeakPolarHBondContact O-CB 3.43Å; W47-W51 PolarHBondContact O-N 2.88Å; W47-F83 AromaticContact CD1-CD1 3.53Å; W47-F83 AromaticContact CD1-CD2 3.96Å; W47-F83 AromaticContact CD1-CE1 3.95Å; W47-F83 AromaticContact CD1-CG 3.56Å; W47-F83 AromaticContact CE2-CE2 3.91Å; W47-F83 AromaticContact CE2-CZ 3.94Å; W47-F83 AromaticContact CZ2-CE2 3.98Å; W47-F83 HydrophobicContact CZ2-CE2 3.98Å; W47-F83 HydrophobicContact CZ2-CZ 4.04Å; W47-F83 AromaticContact NE1-CD1 3.2Å; W47-F83 AromaticContact NE1-CD2 3.22Å; W47-F83 AromaticContact NE1-CE1 3.22Å; W47-F83 AromaticContact NE1-CE2 3.22Å; W47-F83 AromaticContact NE1-CG 3.23Å; W47-F83 AromaticContact NE1-CZ 3.24Å; W47-I124 HydrophobicContact CB-CD1 4.07Å; W47-I124 HydrophobicContact CB-CG1 4.46Å; W47-I124 HydrophobicContact CB-CG2 4.37Å; W47-I124 HydrophobicContact CD2-CB 4.49Å; W47-I124 HydrophobicContact CD2-CG1 4.3Å; W47-I124 HydrophobicContact CD2-CG2 3.74Å; W47-I124 HydrophobicContact CE3-CG2 3.98Å; W47-I124 HydrophobicContact CG-CB 4.48Å; W47-I124 HydrophobicContact CG-CD1 3.99Å; W47-I124 HydrophobicContact CG-CG1 3.85Å; W47-I124 HydrophobicContact CG-CG2 3.92Å; W47-M127 HydrophobicContact CH2-CB 3.89Å; W47-M127 HydrophobicContact CZ2-CB 3.53Å; W47-M127 HydrophobicContact CZ2-CG 4.37Å; W47-I128 HydrophobicContact CE3-CD1 4.19Å; W47-I128 HydrophobicContact CE3-CG1 3.99Å; W47-I128 HydrophobicContact CH2-CG1 3.7Å; W47-I128 HydrophobicContact CZ3-CD1 3.97Å; W47-I128 HydrophobicContact CZ3-CG1 3.27Å; W47-M131 HydrophobicContact CH2-SD 4.25Å; W47-W139 HydrophobicContact CZ3-CH2 4.28Å
48	L	95.9	Very high	94.1	Very high	35 Å²	35	35.9 Å²	35.9	18%	0.183	19%	0.193	C	C	.	.	H	α-helix	trans	-61.2	-39.7	174.8	-177.7	62.7	0	0	0	111.6	S44 V45 W51 L52 M80 F83 A84 A87	S44-L48 WeakPolarHBondContact O-CB 3.4Å; S44-L48 PolarHBondContact O-N 3.23Å; V45-L48 PolarHBondContact O-N 3.12Å; L48-W51 PolarHBondContact O-N 3.3Å; L48-L52 HydrophobicContact CG-CD1 4.39Å; L48-L52 VanDerWaalsContact O-CG 3.32Å; L48-L52 WeakPolarHBondContact O-CG 3.4Å; L48-L52 PolarHBondContact O-N 3.18Å; L48-M80 HydrophobicContact CD1-SD 4.37Å; L48-F83 HydrophobicContact CD1-CB 4.43Å; L48-A84 HydrophobicContact CD1-CB 4.08Å; L48-A87 HydrophobicContact CB-CB 4.31Å; L48-A87 HydrophobicContact CD2-CB 3.97Å
49	Y	95.3	Very high	94.1	Very high	57 Å²	57	34.4 Å²	34.4	22%	0.224	18%	0.183	C	C	.	.	H	α-helix	trans	-59.3	-51.1	173.5	171.7	-94.2	0	0	0	111.6	V45 C46 W47 W51 L52 V53 S145 L146 T149	V45-Y49 PolarHBondContact O-N 3.45Å; C46-Y49 WeakPolarHBondContact O-CB 3.37Å; C46-Y49 PolarHBondContact O-N 3.2Å; W47-Y49 VanDerWaalsContact C-N 3.29Å; W47-Y49 PolarHBondContact O-N 3.42Å; Y49-W51 PolarHBondContact O-N 3.48Å; Y49-L52 WeakPolarHBondContact O-CB 3.26Å; Y49-L52 PolarHBondContact O-N 2.87Å; Y49-L52 VanDerWaalsContact O-N 3.12Å; Y49-V53 HydrophobicContact CD1-CG2 4.31Å; Y49-V53 HydrophobicContact CD2-CG2 4.48Å; Y49-V53 HydrophobicContact CE1-CG2 3.82Å; Y49-V53 HydrophobicContact CE2-CG2 4.04Å; Y49-V53 WeakPolarHBondContact O-CG2 3.46Å; Y49-V53 PolarHBondContact O-N 3.01Å; Y49-S145 WeakPolarHBondContact OH-CB 3.15Å; Y49-S145 PolarHBondContact OH-OG 3.3Å; Y49-L146 HydrophobicContact CE1-CD2 4.33Å; Y49-T149 HydrophobicContact CE2-CG2 4.49Å; Y49-T149 PolarHBondContact OH-OG1 2.89Å
50	I	94.8	Very high	94	Very high	32 Å²	32	34 Å²	34	16%	0.164	18%	0.179	C	C	.	.	H	α-helix	trans	-55.3	-46	177.2	-71.7	165.3	0	0	0	110	C46 W47 L52 V53 I54 W139 V142	C46-I50 WeakPolarHBondContact O-CG1 3.3Å; C46-I50 PolarHBondContact O-N 3.49Å; W47-I50 HydrophobicContact CZ3-CG2 4.33Å; W47-I50 PolarHBondContact O-N 3.16Å; I50-L52 PolarHBondContact O-N 3.27Å; I50-V53 WeakPolarHBondContact O-CB 3.3Å; I50-V53 PolarHBondContact O-N 3.41Å; I50-V53 VanDerWaalsContact O-N 3.13Å; I50-I54 HydrophobicContact CG2-CD1 3.44Å; I50-I54 VanDerWaalsContact CG2-CD1 3.44Å; I50-I54 HydrophobicContact CG2-CG1 4.38Å; I50-I54 WeakPolarHBondContact O-CD1 3.32Å; I50-I54 VanDerWaalsContact O-CG1 3.31Å; I50-I54 WeakPolarHBondContact O-CG1 3.36Å; I50-I54 PolarHBondContact O-N 2.85Å; I50-W139 HydrophobicContact CD1-CZ3 4.45Å; I50-W139 HydrophobicContact CG2-CZ3 4.11Å; I50-V142 HydrophobicContact CG1-CG2 4.25Å; I50-V142 HydrophobicContact CG2-CG2 4.2Å
51	W	93.8	Very high	93.9	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-65.7	-34.9	179.6	-156.1	-105.8	0	0	0	113.2	W47 L48 Y49 V53 I54 F55 F61 F76 A79 M80 F83 M127 M131	W47-W51 HydrophobicContact CH2-CE3 4.32Å; W47-W51 AromaticContact CZ2-CE3 3.88Å; W47-W51 HydrophobicContact CZ2-CE3 3.88Å; W47-W51 HydrophobicContact CZ2-CZ3 4.18Å; W47-W51 WeakPolarHBondContact O-CB 3.43Å; W47-W51 PolarHBondContact O-N 2.88Å; L48-W51 PolarHBondContact O-N 3.3Å; Y49-W51 PolarHBondContact O-N 3.48Å; W51-V53 VanDerWaalsContact C-N 3.32Å; W51-I54 HydrophobicContact CE3-CD1 4.31Å; W51-F55 PolarHBondContact O-N 3.48Å; W51-F61 HydrophobicContact CH2-CD2 4.25Å; W51-F61 HydrophobicContact CH2-CE1 4.32Å; W51-F61 AromaticContact CH2-CE2 3.86Å; W51-F61 HydrophobicContact CH2-CE2 3.86Å; W51-F61 AromaticContact CH2-CZ 3.9Å; W51-F61 HydrophobicContact CH2-CZ 3.9Å; W51-F61 HydrophobicContact CZ2-CE1 4.38Å; W51-F61 HydrophobicContact CZ2-CZ 4.36Å; W51-F76 HydrophobicContact CD2-CE2 4.27Å; W51-F76 HydrophobicContact CD2-CZ 4.24Å; W51-F76 AromaticContact CE2-CE2 3.71Å; W51-F76 AromaticContact CE2-CZ 3.82Å; W51-F76 HydrophobicContact CG-CZ 4.38Å; W51-F76 HydrophobicContact CH2-CD2 4.27Å; W51-F76 HydrophobicContact CH2-CE2 4.14Å; W51-F76 AromaticContact CZ2-CD2 3.65Å; W51-F76 HydrophobicContact CZ2-CD2 3.65Å; W51-F76 AromaticContact CZ2-CE2 3.64Å; W51-F76 HydrophobicContact CZ2-CE2 3.64Å; W51-F76 HydrophobicContact CZ2-CG 4.26Å; W51-F76 HydrophobicContact CZ2-CZ 4.22Å; W51-F76 AromaticContact NE1-CE1 3.73Å; W51-F76 AromaticContact NE1-CZ 3.7Å; W51-F76 PolarHBondContact NE1-O 2.64Å; W51-F76 VanDerWaalsContact O-CZ 3.29Å; W51-F76 WeakPolarHBondContact O-CZ 3.1Å; W51-A79 HydrophobicContact CH2-CB 4.37Å; W51-A79 HydrophobicContact CZ2-CB 3.54Å; W51-M80 VanDerWaalsContact CD1-CA 3.45Å; W51-F83 AromaticContact CD2-CD2 3.96Å; W51-F83 HydrophobicContact CD2-CD2 3.96Å; W51-F83 HydrophobicContact CD2-CE2 4.02Å; W51-F83 HydrophobicContact CE3-CE2 4.21Å; W51-F83 AromaticContact CG-CD2 3.94Å; W51-F83 HydrophobicContact CG-CD2 3.94Å; W51-F83 HydrophobicContact CG-CE2 4.47Å; W51-F83 HydrophobicContact CZ2-CE2 4.43Å; W51-F83 HydrophobicContact CZ3-CE2 4.48Å; W51-M127 HydrophobicContact CH2-CE 3.78Å; W51-M127 HydrophobicContact CZ3-CE 4.12Å; W51-M131 HydrophobicContact CE3-SD 4.38Å; W51-M131 HydrophobicContact CZ3-SD 3.74Å
52	L	94.9	Very high	93.7	Very high	86 Å²	86	34.3 Å²	34.3	45%	0.45	18%	0.18	S	C	.	.	H	α-helix	trans	-66.7	-34.7	172.3	-74.4	170.3	0	0	0	112.3	L48 Y49 I50 F55 M80	L48-L52 HydrophobicContact CG-CD1 4.39Å; L48-L52 VanDerWaalsContact O-CG 3.32Å; L48-L52 WeakPolarHBondContact O-CG 3.4Å; L48-L52 PolarHBondContact O-N 3.18Å; Y49-L52 WeakPolarHBondContact O-CB 3.26Å; Y49-L52 PolarHBondContact O-N 2.87Å; Y49-L52 VanDerWaalsContact O-N 3.12Å; I50-L52 PolarHBondContact O-N 3.27Å; L52-F55 WeakPolarHBondContact O-CB 3.18Å; L52-F55 PolarHBondContact O-N 2.74Å; L52-M80 HydrophobicContact CD2-CE 4.15Å; L52-M80 HydrophobicContact CD2-SD 4.16Å
53	V	95	Very high	93.5	Very high	9 Å²	9	30.9 Å²	30.9	6%	0.055	16%	0.164	C	C	.	.	H	α-helix	trans	-70.8	-46.3	179	173.4	0	0	0	0	110.9	Y49 I50 W51 F55 N56 I141 W446	Y49-V53 HydrophobicContact CD1-CG2 4.31Å; Y49-V53 HydrophobicContact CD2-CG2 4.48Å; Y49-V53 HydrophobicContact CE1-CG2 3.82Å; Y49-V53 HydrophobicContact CE2-CG2 4.04Å; Y49-V53 WeakPolarHBondContact O-CG2 3.46Å; Y49-V53 PolarHBondContact O-N 3.01Å; I50-V53 WeakPolarHBondContact O-CB 3.3Å; I50-V53 PolarHBondContact O-N 3.41Å; I50-V53 VanDerWaalsContact O-N 3.13Å; W51-V53 VanDerWaalsContact C-N 3.32Å; V53-F55 PolarHBondContact O-N 3.43Å; V53-N56 PolarHBondContact O-N 3.18Å; V53-I141 HydrophobicContact CG1-CB 4.18Å; V53-I141 HydrophobicContact CG1-CD1 3.99Å; V53-I141 HydrophobicContact CG1-CG1 3.64Å; V53-I141 HydrophobicContact CG1-CG2 3.73Å; V53-I141 WeakPolarHBondContact O-CD1 3.08Å; V53-W446 HydrophobicContact CG1-CH2 3.97Å; V53-W446 HydrophobicContact CG1-CZ2 3.71Å
54	I	93.4	Very high	93.3	Very high	4 Å²	4	28.8 Å²	28.8	2%	0.021	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-63.7	-8.7	178.2	-60.8	152.5	0	0	0	112.3	I50 W51 N56 D57 R58 F76 M131 I141	I50-I54 HydrophobicContact CG2-CD1 3.44Å; I50-I54 VanDerWaalsContact CG2-CD1 3.44Å; I50-I54 HydrophobicContact CG2-CG1 4.38Å; I50-I54 WeakPolarHBondContact O-CD1 3.32Å; I50-I54 VanDerWaalsContact O-CG1 3.31Å; I50-I54 WeakPolarHBondContact O-CG1 3.36Å; I50-I54 PolarHBondContact O-N 2.85Å; W51-I54 HydrophobicContact CE3-CD1 4.31Å; I54-N56 PolarHBondContact O-N 2.77Å; I54-D57 PolarHBondContact O-N 3.09Å; I54-R58 PolarHBondContact O-N 2.89Å; I54-F76 HydrophobicContact CB-CE2 4.34Å; I54-F76 HydrophobicContact CB-CZ 4.42Å; I54-F76 HydrophobicContact CG2-CE2 3.92Å; I54-F76 HydrophobicContact CG2-CZ 4.46Å; I54-M131 HydrophobicContact CD1-CE 3.3Å; I54-M131 HydrophobicContact CD1-SD 3.86Å; I54-M131 HydrophobicContact CG1-CE 4.04Å; I54-M131 HydrophobicContact CG2-CE 4.1Å; I54-I141 HydrophobicContact CG1-CG2 3.89Å
55	F	94.6	Very high	92.9	Very high	41 Å²	41	30.3 Å²	30.3	18%	0.18	16%	0.161	C	C	.	.	G	3₁₀ helix	trans	-54.4	-25.3	176.4	-170.9	-82.5	0	0	0	113.3	W51 L52 V53 D57 R58 F76 M77 E444	W51-F55 PolarHBondContact O-N 3.48Å; L52-F55 WeakPolarHBondContact O-CB 3.18Å; L52-F55 PolarHBondContact O-N 2.74Å; V53-F55 PolarHBondContact O-N 3.43Å; F55-D57 PolarHBondContact O-N 3.19Å; F55-R58 WeakPolarHBondContact O-CB 3.41Å; F55-R58 VanDerWaalsContact O-CG 3.3Å; F55-R58 WeakPolarHBondContact O-CG 3.38Å; F55-R58 PolarHBondContact O-N 3.4Å; F55-F76 HydrophobicContact CB-CE1 4.07Å; F55-F76 HydrophobicContact CB-CZ 4.2Å; F55-F76 HydrophobicContact CD2-CD1 4.15Å; F55-F76 AromaticContact CD2-CE1 3.63Å; F55-F76 HydrophobicContact CD2-CE1 3.63Å; F55-F76 HydrophobicContact CG-CE1 4.21Å; F55-M77 HydrophobicContact CD2-SD 4.48Å; F55-M77 HydrophobicContact CE2-SD 3.71Å; F55-E444 HydrophobicContact CD1-CG 4.22Å; F55-E444 WeakPolarHBondContact CD1-OE1 3.26Å; F55-E444 VanDerWaalsContact CE1-OE1 3.25Å; F55-E444 WeakPolarHBondContact CE1-OE1 3.13Å
56	N	95.8	Very high	92.7	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.147	C	C	.	.	G	3₁₀ helix	trans	-52	-40.9	170.4	-171.4	81.2	0	0	0	112.8	V53 I54 I141 V441 N443 E444	V53-N56 PolarHBondContact O-N 3.18Å; I54-N56 PolarHBondContact O-N 2.77Å; N56-I141 HydrophobicContact CB-CD1 3.61Å; N56-V441 PolarHBondContact ND2-O 3.06Å; N56-N443 PolarHBondContact O-ND2 3.26Å; N56-N443 PolarHBondContact OD1-N 3.36Å; N56-E444 HydrophobicContact CB-CB 4.47Å; N56-E444 HydrophobicContact CB-CG 4Å; N56-E444 PolarHBondContact OD1-N 2.87Å; N56-E444 VanDerWaalsContact OD1-N 3.13Å
57	D	93.1	Very high	92.3	Very high	6 Å²	6	27.9 Å²	27.9	3%	0.032	15%	0.145	C	C	.	.	G	3₁₀ helix	trans	-106.3	22.8	-172.5	-44.8	-54.5	0	0	0	111.3	I54 F55 D59 D60 F61 E138 I141 Y419	I54-D57 PolarHBondContact O-N 3.09Å; F55-D57 PolarHBondContact O-N 3.19Å; D57-D59 PolarHBondContact O-N 2.76Å; D57-D59 VanDerWaalsContact O-N 3.11Å; D57-D60 PolarHBondContact O-N 3.05Å; D57-F61 PolarHBondContact O-N 3.24Å; D57-E138 WeakPolarHBondContact CB-OE2 3.35Å; D57-I141 WeakPolarHBondContact OD2-CD1 3.25Å; D57-Y419 WeakPolarHBondContact OD1-CE1 3.49Å; D57-Y419 PolarHBondContact OD1-OH 3.21Å; D57-Y419 PolarHBondContact OD2-OH 2.68Å
58	R	92.3	Very high	91.8	Very high	24 Å²	24	32.5 Å²	32.5	9%	0.091	17%	0.17	C	C	.	.	H	α-helix	trans	-56.6	-29.4	179.9	68.1	-176.5	-174.2	158.8	0.6	113.2	I54 F55 N62 F76	I54-R58 PolarHBondContact O-N 2.89Å; F55-R58 WeakPolarHBondContact O-CB 3.41Å; F55-R58 VanDerWaalsContact O-CG 3.3Å; F55-R58 WeakPolarHBondContact O-CG 3.38Å; F55-R58 PolarHBondContact O-N 3.4Å; R58-N62 WeakPolarHBondContact O-CB 3.27Å; R58-N62 PolarHBondContact O-N 2.85Å; R58-N62 PolarHBondContact O-ND2 3.43Å; R58-N62 VanDerWaalsContact O-ND2 3.17Å; R58-F76 HydrophobicContact CB-CB 4.07Å; R58-F76 HydrophobicContact CB-CD1 3.8Å; R58-F76 HydrophobicContact CB-CD2 3.97Å; R58-F76 HydrophobicContact CB-CE1 4.27Å; R58-F76 HydrophobicContact CB-CE2 4.39Å; R58-F76 HydrophobicContact CB-CG 3.64Å
59	D	89.3	Confident	91.5	Very high	16 Å²	16	35.7 Å²	35.7	9%	0.086	19%	0.186	C	C	.	.	H	α-helix	trans	-73.8	-42.1	-179	-165.6	55.3	0	0	0	111.4	D57 F61 N62 T63 F308	D57-D59 PolarHBondContact O-N 2.76Å; D57-D59 VanDerWaalsContact O-N 3.11Å; D59-F61 VanDerWaalsContact C-N 3.29Å; D59-F61 PolarHBondContact O-N 3.32Å; D59-N62 PolarHBondContact O-N 2.85Å; D59-N62 VanDerWaalsContact O-N 3.14Å; D59-T63 WeakPolarHBondContact O-CB 3.23Å; D59-T63 PolarHBondContact O-N 2.81Å; D59-T63 PolarHBondContact O-OG1 2.9Å; D59-F308 HydrophobicContact CB-CE1 4.47Å
60	D	89.4	Confident	91.1	Very high	60 Å²	60	37.5 Å²	37.5	32%	0.321	20%	0.197	S	C	.	.	H	α-helix	trans	-61.4	-41.8	175	-60.4	-23	0	0	0	110.6	D57 T63 L64	D57-D60 PolarHBondContact O-N 3.05Å; D60-T63 PolarHBondContact O-N 3.33Å; D60-L64 WeakPolarHBondContact O-CB 3.38Å; D60-L64 PolarHBondContact O-N 3.42Å
61	F	90.4	Very high	90.7	Very high	6 Å²	6	41.7 Å²	41.7	3%	0.026	21%	0.214	C	C	.	.	H	α-helix	trans	-62.5	-43.9	174.1	-176.6	-93.3	0	0	0	112.7	W51 D57 D59 T63 L64 L65 F76 M127	W51-F61 HydrophobicContact CH2-CD2 4.25Å; W51-F61 HydrophobicContact CH2-CE1 4.32Å; W51-F61 AromaticContact CH2-CE2 3.86Å; W51-F61 HydrophobicContact CH2-CE2 3.86Å; W51-F61 AromaticContact CH2-CZ 3.9Å; W51-F61 HydrophobicContact CH2-CZ 3.9Å; W51-F61 HydrophobicContact CZ2-CE1 4.38Å; W51-F61 HydrophobicContact CZ2-CZ 4.36Å; D57-F61 PolarHBondContact O-N 3.24Å; D59-F61 VanDerWaalsContact C-N 3.29Å; D59-F61 PolarHBondContact O-N 3.32Å; F61-T63 VanDerWaalsContact C-N 3.34Å; F61-L64 PolarHBondContact O-N 3.45Å; F61-L65 HydrophobicContact CE1-CD1 4.2Å; F61-L65 HydrophobicContact CE1-CG 4.11Å; F61-L65 HydrophobicContact CZ-CD1 4.19Å; F61-L65 HydrophobicContact CZ-CG 4.14Å; F61-L65 PolarHBondContact O-N 3.14Å; F61-L65 VanDerWaalsContact O-N 3.07Å; F61-F76 HydrophobicContact CB-CD2 4Å; F61-F76 HydrophobicContact CD1-CB 3.87Å; F61-F76 AromaticContact CD1-CD2 3.87Å; F61-F76 HydrophobicContact CD1-CD2 3.87Å; F61-F76 HydrophobicContact CD1-CG 4.39Å; F61-F76 AromaticContact CG-CD2 3.98Å; F61-F76 HydrophobicContact CG-CD2 3.98Å; F61-M127 HydrophobicContact CE2-CE 3.61Å; F61-M127 HydrophobicContact CZ-CE 3.6Å
62	N	91.3	Very high	90.3	Very high	18 Å²	18	44.8 Å²	44.8	10%	0.096	23%	0.228	C	C	.	.	H	α-helix	trans	-66.6	-38	178.3	-75.9	-28.7	0	0	0	111.6	R58 D59 L65 F66 N74 Y75 F76	R58-N62 WeakPolarHBondContact O-CB 3.27Å; R58-N62 PolarHBondContact O-N 2.85Å; R58-N62 PolarHBondContact O-ND2 3.43Å; R58-N62 VanDerWaalsContact O-ND2 3.17Å; D59-N62 PolarHBondContact O-N 2.85Å; D59-N62 VanDerWaalsContact O-N 3.14Å; N62-L65 PolarHBondContact O-N 3.32Å; N62-F66 WeakPolarHBondContact O-CB 3.27Å; N62-F66 PolarHBondContact O-N 2.83Å; N62-N74 PolarHBondContact ND2-OD1 3.47Å; N62-N74 VanDerWaalsContact ND2-OD1 3.16Å; N62-Y75 PolarHBondContact OD1-N 3.21Å; N62-F76 PolarHBondContact OD1-N 3.09Å
63	T	88.9	Confident	89.9	Confident	35 Å²	35	44.8 Å²	44.8	22%	0.215	23%	0.227	C	C	.	.	H	α-helix	trans	-66.3	-41.9	176	-63	0	0	0	0	111.2	D59 D60 F61 L65 F66 S67	D59-T63 WeakPolarHBondContact O-CB 3.23Å; D59-T63 PolarHBondContact O-N 2.81Å; D59-T63 PolarHBondContact O-OG1 2.9Å; D60-T63 PolarHBondContact O-N 3.33Å; F61-T63 VanDerWaalsContact C-N 3.34Å; T63-L65 PolarHBondContact O-N 2.99Å; T63-F66 WeakPolarHBondContact O-CB 3.43Å; T63-F66 PolarHBondContact O-N 3.18Å; T63-S67 PolarHBondContact O-N 3.09Å
64	L	88.6	Confident	89.6	Confident	32 Å²	32	45.7 Å²	45.7	17%	0.168	23%	0.231	C	C	.	.	H	α-helix	trans	-59.2	-44.6	172.7	176.3	65.9	0	0	0	112.1	D60 F61 S67 L68 K134 Q135	D60-L64 WeakPolarHBondContact O-CB 3.38Å; D60-L64 PolarHBondContact O-N 3.42Å; F61-L64 PolarHBondContact O-N 3.45Å; L64-S67 PolarHBondContact O-N 2.05Å; L64-S67 PolarHBondContact O-OG 2.78Å; L64-L68 WeakPolarHBondContact O-CG 3.23Å; L64-L68 PolarHBondContact O-N 3.38Å; L64-K134 HydrophobicContact CD2-CB 3.88Å; L64-Q135 HydrophobicContact CD2-CG 4.16Å
65	L	89.7	Confident	89.5	Confident	34 Å²	34	46.5 Å²	46.5	18%	0.178	24%	0.235	C	C	.	.	H	α-helix	trans	-74.7	-29	177.9	-72.9	-138.5	0	0	0	112.6	F61 N62 T63 L68 L69 Y75	F61-L65 HydrophobicContact CE1-CD1 4.2Å; F61-L65 HydrophobicContact CE1-CG 4.11Å; F61-L65 HydrophobicContact CZ-CD1 4.19Å; F61-L65 HydrophobicContact CZ-CG 4.14Å; F61-L65 PolarHBondContact O-N 3.14Å; F61-L65 VanDerWaalsContact O-N 3.07Å; N62-L65 PolarHBondContact O-N 3.32Å; T63-L65 PolarHBondContact O-N 2.99Å; L65-L68 HydrophobicContact CD2-CD1 4.05Å; L65-L68 PolarHBondContact O-N 3.17Å; L65-L69 HydrophobicContact CD1-CD1 4.43Å; L65-L69 VanDerWaalsContact O-CB 3.29Å; L65-L69 WeakPolarHBondContact O-CB 3.35Å; L65-L69 WeakPolarHBondContact O-CG 3.31Å; L65-L69 PolarHBondContact O-N 3.22Å; L65-Y75 HydrophobicContact CB-CD1 4.21Å; L65-Y75 HydrophobicContact CB-CD2 3.43Å; L65-Y75 VanDerWaalsContact CB-CD2 3.43Å; L65-Y75 HydrophobicContact CB-CE1 4.49Å; L65-Y75 HydrophobicContact CB-CE2 3.77Å; L65-Y75 HydrophobicContact CB-CG 3.68Å; L65-Y75 HydrophobicContact CD1-CD1 3.7Å; L65-Y75 HydrophobicContact CD1-CD2 4.34Å; L65-Y75 HydrophobicContact CD1-CE1 4.37Å; L65-Y75 HydrophobicContact CD1-CG 3.68Å; L65-Y75 HydrophobicContact CG-CD2 4.35Å; L65-Y75 HydrophobicContact CG-CG 4.14Å
66	F	89.6	Confident	89.4	Confident	19 Å²	19	44.6 Å²	44.6	8%	0.083	23%	0.226	C	C	.	.	H	α-helix	trans	-63.4	-43.1	170.7	176.3	-93.7	0	0	0	111.6	N62 T63 L68 L69 H70 H72 K273 R274	N62-F66 WeakPolarHBondContact O-CB 3.27Å; N62-F66 PolarHBondContact O-N 2.83Å; T63-F66 WeakPolarHBondContact O-CB 3.43Å; T63-F66 PolarHBondContact O-N 3.18Å; F66-L68 PolarHBondContact O-N 2.88Å; F66-L69 PolarHBondContact O-N 2.82Å; F66-H70 WeakPolarHBondContact O-CA 3.3Å; F66-H70 PolarHBondContact O-N 2.8Å; F66-H72 AromaticContact CD2-CE1 3.93Å; F66-H72 AromaticContact CD2-ND1 3.93Å; F66-H72 AromaticContact CE2-CD2 3.7Å; F66-H72 AromaticContact CE2-CE1 3.49Å; F66-H72 VanDerWaalsContact CE2-CE1 3.49Å; F66-H72 WeakPolarHBondContact CE2-CE1 3.5Å; F66-H72 AromaticContact CE2-CG 3.99Å; F66-H72 AromaticContact CE2-ND1 3.87Å; F66-H72 AromaticContact CE2-NE2 3.36Å; F66-H72 WeakPolarHBondContact CE2-NE2 3.22Å; F66-H72 AromaticContact CZ-NE2 3.86Å; F66-K273 HydrophobicContact CZ-CB 4.43Å; F66-K273 HydrophobicContact CZ-CD 4.44Å; F66-K273 HydrophobicContact CZ-CG 4.14Å; F66-R274 HydrophobicContact CD1-CB 4.14Å; F66-R274 HydrophobicContact CD1-CG 4.07Å; F66-R274 HydrophobicContact CE1-CB 3.58Å; F66-R274 HydrophobicContact CE1-CG 3.97Å; F66-R274 HydrophobicContact CG-CG 4.46Å; F66-R274 HydrophobicContact CZ-CB 3.9Å; F66-R274 HydrophobicContact CZ-CG 4.27Å
67	S	86.3	Confident	89.3	Confident	65 Å²	65	46.1 Å²	46.1	46%	0.455	23%	0.234	S	C	.	.	H	α-helix	trans	-64.7	-28.7	178.7	70.5	0	0	0	0	112.5	T63 L64 H70	T63-S67 PolarHBondContact O-N 3.09Å; L64-S67 PolarHBondContact O-N 2.05Å; L64-S67 PolarHBondContact O-OG 2.78Å; S67-H70 PolarHBondContact O-CE1 3.19Å
68	L	85.9	Confident	89.2	Confident	104 Å²	104	49.5 Å²	49.5	55%	0.545	25%	0.254	S	S	.	.	H	α-helix	trans	-83.6	-38.9	176.8	-66.7	172.5	0	0	0	114	L64 L65 F66	L64-L68 WeakPolarHBondContact O-CG 3.23Å; L64-L68 PolarHBondContact O-N 3.38Å; L65-L68 HydrophobicContact CD2-CD1 4.05Å; L65-L68 PolarHBondContact O-N 3.17Å; F66-L68 PolarHBondContact O-N 2.88Å
69	L	88.9	Confident	89.3	Confident	101 Å²	101	49.1 Å²	49.1	53%	0.529	26%	0.256	S	S	.	.	H	α-helix	trans	-108	-12.9	-169.8	-60.7	174.8	0	0	0	113.7	L65 F66 K71 Y75	L65-L69 HydrophobicContact CD1-CD1 4.43Å; L65-L69 VanDerWaalsContact O-CB 3.29Å; L65-L69 WeakPolarHBondContact O-CB 3.35Å; L65-L69 WeakPolarHBondContact O-CG 3.31Å; L65-L69 PolarHBondContact O-N 3.22Å; F66-L69 PolarHBondContact O-N 2.82Å; L69-K71 PolarHBondContact O-N 2.91Å; L69-K71 VanDerWaalsContact O-N 3.08Å; L69-Y75 HydrophobicContact CD1-CD1 4.3Å; L69-Y75 HydrophobicContact CD1-CE1 3.43Å; L69-Y75 VanDerWaalsContact CD1-CE1 3.43Å
70	H	86.6	Confident	89.5	Confident	95 Å²	95	50.1 Å²	50.1	44%	0.44	26%	0.261	S	S	.	.			trans	49.3	31.1	-175.6	-61.8	-60.6	0	0	0	114.5	F66 S67 E270 K273	F66-H70 WeakPolarHBondContact O-CA 3.3Å; F66-H70 PolarHBondContact O-N 2.8Å; S67-H70 PolarHBondContact O-CE1 3.19Å; H70-E270 IonicContact CE1-OE2 3.42Å; H70-K273 VanDerWaalsContact CG-NZ 3.3Å; H70-K273 PolarHBondContact ND1-NZ 2.86Å
71	K	88.1	Confident	89.8	Confident	121 Å²	121	51.8 Å²	51.8	53%	0.526	27%	0.268	S	S	.	.			trans	-128.6	125.7	-179.4	-176.2	-176.2	-179.3	-175.4	0	109.4	L69 M73 Y75	L69-K71 PolarHBondContact O-N 2.91Å; L69-K71 VanDerWaalsContact O-N 3.08Å; K71-M73 HydrophobicContact CD-CE 4.42Å; K71-M73 HydrophobicContact CD-CG 4.18Å; K71-M73 HydrophobicContact CD-SD 4.12Å; K71-M73 HydrophobicContact CG-CG 4.17Å; K71-M73 PolarHBondContact O-N 2.86Å; K71-Y75 WeakPolarHBondContact O-CE2 3Å; K71-Y75 PolarHBondContact O-OH 3.41Å
72	H	84.2	Confident	90	Very high	64 Å²	64	55.3 Å²	55.3	30%	0.296	29%	0.287	S	S	.	.			trans	-68.6	112.1	172.6	-72.4	-75.4	0	0	0	110.4	F66 R274 N305	F66-H72 AromaticContact CD2-CE1 3.93Å; F66-H72 AromaticContact CD2-ND1 3.93Å; F66-H72 AromaticContact CE2-CD2 3.7Å; F66-H72 AromaticContact CE2-CE1 3.49Å; F66-H72 VanDerWaalsContact CE2-CE1 3.49Å; F66-H72 WeakPolarHBondContact CE2-CE1 3.5Å; F66-H72 AromaticContact CE2-CG 3.99Å; F66-H72 AromaticContact CE2-ND1 3.87Å; F66-H72 AromaticContact CE2-NE2 3.36Å; F66-H72 WeakPolarHBondContact CE2-NE2 3.22Å; F66-H72 AromaticContact CZ-NE2 3.86Å; H72-R274 PolarHBondContact CE1-O 3.48Å; H72-R274 PolarHBondContact NE2-O 3.33Å; H72-N305 HydrophobicContact CB-CB 4.13Å; H72-N305 VanDerWaalsContact CB-CG 3.42Å; H72-N305 VanDerWaalsContact CB-OD1 3.23Å; H72-N305 WeakPolarHBondContact CB-OD1 3.38Å; H72-N305 PolarHBondContact CD2-ND2 3.47Å; H72-N305 PolarHBondContact ND1-ND2 3.23Å
73	M	86.5	Confident	90.2	Very high	86 Å²	86	55 Å²	55	42%	0.424	29%	0.285	S	S	.	.			trans	-150.5	153.1	167.4	-64.4	-158.2	-53.8	0	0	108.9	K71 Y75	K71-M73 HydrophobicContact CD-CE 4.42Å; K71-M73 HydrophobicContact CD-CG 4.18Å; K71-M73 HydrophobicContact CD-SD 4.12Å; K71-M73 HydrophobicContact CG-CG 4.17Å; K71-M73 PolarHBondContact O-N 2.86Å; M73-Y75 HydrophobicContact CB-CD1 4.35Å; M73-Y75 HydrophobicContact CB-CD2 4.25Å; M73-Y75 HydrophobicContact CB-CE1 4.07Å; M73-Y75 HydrophobicContact CB-CE2 3.95Å; M73-Y75 HydrophobicContact CB-CG 4.43Å; M73-Y75 HydrophobicContact CE-CD1 3.98Å; M73-Y75 HydrophobicContact CE-CE1 3.33Å; M73-Y75 WeakPolarHBondContact O-CD2 3.26Å; M73-Y75 WeakPolarHBondContact O-CE2 3.39Å; M73-Y75 PolarHBondContact O-N 3.21Å
74	N	89.4	Confident	90.6	Very high	28 Å²	28	54.8 Å²	54.8	15%	0.15	29%	0.286	C	S	.	.			trans	-82.2	73.8	169.3	-164.4	-31.6	0	0	0	109.5	N62 F76 M77 V78 P307	N62-N74 PolarHBondContact ND2-OD1 3.47Å; N62-N74 VanDerWaalsContact ND2-OD1 3.16Å; N74-F76 PolarHBondContact O-N 3.36Å; N74-M77 HydrophobicContact CB-CB 4.32Å; N74-M77 HydrophobicContact CB-CG 4.49Å; N74-M77 VanDerWaalsContact CG-CG 3.49Å; N74-M77 PolarHBondContact O-N 3.19Å; N74-M77 WeakPolarHBondContact OD1-CB 3.33Å; N74-M77 VanDerWaalsContact OD1-CG 3.26Å; N74-M77 WeakPolarHBondContact OD1-CG 3.5Å; N74-M77 PolarHBondContact OD1-N 2.65Å; N74-M77 VanDerWaalsContact OD1-N 3.15Å; N74-V78 PolarHBondContact O-N 3.28Å; N74-P307 PolarHBondContact ND2-O 3.4Å
75	Y	91.4	Very high	91	Very high	22 Å²	22	58.8 Å²	58.8	9%	0.086	31%	0.307	C	S	.	.	H	α-helix	trans	-56.4	-37.7	-178.4	-64.3	-79.1	0	0	0	112.5	N62 L65 L69 K71 M73 M77 V78 A79	N62-Y75 PolarHBondContact OD1-N 3.21Å; L65-Y75 HydrophobicContact CB-CD1 4.21Å; L65-Y75 HydrophobicContact CB-CD2 3.43Å; L65-Y75 VanDerWaalsContact CB-CD2 3.43Å; L65-Y75 HydrophobicContact CB-CE1 4.49Å; L65-Y75 HydrophobicContact CB-CE2 3.77Å; L65-Y75 HydrophobicContact CB-CG 3.68Å; L65-Y75 HydrophobicContact CD1-CD1 3.7Å; L65-Y75 HydrophobicContact CD1-CD2 4.34Å; L65-Y75 HydrophobicContact CD1-CE1 4.37Å; L65-Y75 HydrophobicContact CD1-CG 3.68Å; L65-Y75 HydrophobicContact CG-CD2 4.35Å; L65-Y75 HydrophobicContact CG-CG 4.14Å; L69-Y75 HydrophobicContact CD1-CD1 4.3Å; L69-Y75 HydrophobicContact CD1-CE1 3.43Å; L69-Y75 VanDerWaalsContact CD1-CE1 3.43Å; K71-Y75 WeakPolarHBondContact O-CE2 3Å; K71-Y75 PolarHBondContact O-OH 3.41Å; M73-Y75 HydrophobicContact CB-CD1 4.35Å; M73-Y75 HydrophobicContact CB-CD2 4.25Å; M73-Y75 HydrophobicContact CB-CE1 4.07Å; M73-Y75 HydrophobicContact CB-CE2 3.95Å; M73-Y75 HydrophobicContact CB-CG 4.43Å; M73-Y75 HydrophobicContact CE-CD1 3.98Å; M73-Y75 HydrophobicContact CE-CE1 3.33Å; M73-Y75 WeakPolarHBondContact O-CD2 3.26Å; M73-Y75 WeakPolarHBondContact O-CE2 3.39Å; M73-Y75 PolarHBondContact O-N 3.21Å; Y75-M77 PolarHBondContact O-N 2.88Å; Y75-V78 PolarHBondContact O-N 3.1Å; Y75-A79 PolarHBondContact O-N 3.18Å
76	F	92.5	Very high	91.3	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-56.5	-50.8	177	-168.6	-85.9	0	0	0	111.2	W51 I54 F55 R58 F61 N62 N74 V78 A79 M80	W51-F76 HydrophobicContact CD2-CE2 4.27Å; W51-F76 HydrophobicContact CD2-CZ 4.24Å; W51-F76 AromaticContact CE2-CE2 3.71Å; W51-F76 AromaticContact CE2-CZ 3.82Å; W51-F76 HydrophobicContact CG-CZ 4.38Å; W51-F76 HydrophobicContact CH2-CD2 4.27Å; W51-F76 HydrophobicContact CH2-CE2 4.14Å; W51-F76 AromaticContact CZ2-CD2 3.65Å; W51-F76 HydrophobicContact CZ2-CD2 3.65Å; W51-F76 AromaticContact CZ2-CE2 3.64Å; W51-F76 HydrophobicContact CZ2-CE2 3.64Å; W51-F76 HydrophobicContact CZ2-CG 4.26Å; W51-F76 HydrophobicContact CZ2-CZ 4.22Å; W51-F76 AromaticContact NE1-CE1 3.73Å; W51-F76 AromaticContact NE1-CZ 3.7Å; W51-F76 PolarHBondContact NE1-O 2.64Å; W51-F76 VanDerWaalsContact O-CZ 3.29Å; W51-F76 WeakPolarHBondContact O-CZ 3.1Å; I54-F76 HydrophobicContact CB-CE2 4.34Å; I54-F76 HydrophobicContact CB-CZ 4.42Å; I54-F76 HydrophobicContact CG2-CE2 3.92Å; I54-F76 HydrophobicContact CG2-CZ 4.46Å; F55-F76 HydrophobicContact CB-CE1 4.07Å; F55-F76 HydrophobicContact CB-CZ 4.2Å; F55-F76 HydrophobicContact CD2-CD1 4.15Å; F55-F76 AromaticContact CD2-CE1 3.63Å; F55-F76 HydrophobicContact CD2-CE1 3.63Å; F55-F76 HydrophobicContact CG-CE1 4.21Å; R58-F76 HydrophobicContact CB-CB 4.07Å; R58-F76 HydrophobicContact CB-CD1 3.8Å; R58-F76 HydrophobicContact CB-CD2 3.97Å; R58-F76 HydrophobicContact CB-CE1 4.27Å; R58-F76 HydrophobicContact CB-CE2 4.39Å; R58-F76 HydrophobicContact CB-CG 3.64Å; F61-F76 HydrophobicContact CB-CD2 4Å; F61-F76 HydrophobicContact CD1-CB 3.87Å; F61-F76 AromaticContact CD1-CD2 3.87Å; F61-F76 HydrophobicContact CD1-CD2 3.87Å; F61-F76 HydrophobicContact CD1-CG 4.39Å; F61-F76 AromaticContact CG-CD2 3.98Å; F61-F76 HydrophobicContact CG-CD2 3.98Å; N62-F76 PolarHBondContact OD1-N 3.09Å; N74-F76 PolarHBondContact O-N 3.36Å; F76-V78 PolarHBondContact O-N 3.19Å; F76-A79 PolarHBondContact O-N 3.4Å; F76-M80 HydrophobicContact CE1-CG 4.27Å; F76-M80 WeakPolarHBondContact O-CB 3.37Å; F76-M80 PolarHBondContact O-N 3.08Å
77	M	92.1	Very high	91.6	Very high	33 Å²	33	57.6 Å²	57.6	16%	0.163	30%	0.301	C	S	.	.	H	α-helix	trans	-65.6	-36.1	-180	-72.4	-57.6	-64	0	0	112.9	F55 N74 Y75 M80 I81	F55-M77 HydrophobicContact CD2-SD 4.48Å; F55-M77 HydrophobicContact CE2-SD 3.71Å; N74-M77 HydrophobicContact CB-CB 4.32Å; N74-M77 HydrophobicContact CB-CG 4.49Å; N74-M77 VanDerWaalsContact CG-CG 3.49Å; N74-M77 PolarHBondContact O-N 3.19Å; N74-M77 WeakPolarHBondContact OD1-CB 3.33Å; N74-M77 VanDerWaalsContact OD1-CG 3.26Å; N74-M77 WeakPolarHBondContact OD1-CG 3.5Å; N74-M77 PolarHBondContact OD1-N 2.65Å; N74-M77 VanDerWaalsContact OD1-N 3.15Å; Y75-M77 PolarHBondContact O-N 2.88Å; M77-M80 HydrophobicContact CE-CE 4.42Å; M77-M80 WeakPolarHBondContact O-CB 3.37Å; M77-M80 PolarHBondContact O-N 2.85Å; M77-I81 VanDerWaalsContact O-CG1 3.29Å; M77-I81 WeakPolarHBondContact O-CG1 3.41Å; M77-I81 PolarHBondContact O-N 3.33Å
78	V	92.6	Very high	92.1	Very high	77 Å²	77	57.9 Å²	57.9	47%	0.467	30%	0.303	S	S	.	.	H	α-helix	trans	-61.5	-48	174.3	174.9	0	0	0	0	110.6	N74 Y75 F76 M80 I81 I82	N74-V78 PolarHBondContact O-N 3.28Å; Y75-V78 PolarHBondContact O-N 3.1Å; F76-V78 PolarHBondContact O-N 3.19Å; V78-M80 VanDerWaalsContact C-N 3.34Å; V78-M80 PolarHBondContact O-N 3.49Å; V78-I81 PolarHBondContact O-N 2.86Å; V78-I82 HydrophobicContact CG1-CD1 4.01Å; V78-I82 WeakPolarHBondContact O-CG1 3.01Å; V78-I82 PolarHBondContact O-N 3.41Å; V78-I82 VanDerWaalsContact O-N 3.07Å
79	A	93.3	Very high	92.6	Very high	15 Å²	15	55.1 Å²	55.1	12%	0.124	29%	0.286	C	S	.	.	H	α-helix	trans	-62.3	-41.6	175.9	0	0	0	0	0	111.8	W51 Y75 F76 I81 I82 F83	W51-A79 HydrophobicContact CH2-CB 4.37Å; W51-A79 HydrophobicContact CZ2-CB 3.54Å; Y75-A79 PolarHBondContact O-N 3.18Å; F76-A79 PolarHBondContact O-N 3.4Å; A79-I81 PolarHBondContact O-N 3.39Å; A79-I82 PolarHBondContact O-N 3.28Å; A79-F83 HydrophobicContact CB-CD2 4.34Å; A79-F83 HydrophobicContact CB-CE2 3.92Å; A79-F83 WeakPolarHBondContact O-CD2 3.46Å; A79-F83 WeakPolarHBondContact O-CG 3.28Å; A79-F83 PolarHBondContact O-N 2.95Å
80	M	94.1	Very high	92.9	Very high	38 Å²	38	50.4 Å²	50.4	19%	0.187	26%	0.261	C	S	.	.	H	α-helix	trans	-55.9	-48	176.6	-147.8	-61.6	-110.1	0	0	111.1	L48 W51 L52 F76 M77 V78 F83 A84	L48-M80 HydrophobicContact CD1-SD 4.37Å; W51-M80 VanDerWaalsContact CD1-CA 3.45Å; L52-M80 HydrophobicContact CD2-CE 4.15Å; L52-M80 HydrophobicContact CD2-SD 4.16Å; F76-M80 HydrophobicContact CE1-CG 4.27Å; F76-M80 WeakPolarHBondContact O-CB 3.37Å; F76-M80 PolarHBondContact O-N 3.08Å; M77-M80 HydrophobicContact CE-CE 4.42Å; M77-M80 WeakPolarHBondContact O-CB 3.37Å; M77-M80 PolarHBondContact O-N 2.85Å; V78-M80 VanDerWaalsContact C-N 3.34Å; V78-M80 PolarHBondContact O-N 3.49Å; M80-F83 PolarHBondContact O-N 3.26Å; M80-A84 VanDerWaalsContact O-CB 3.28Å; M80-A84 WeakPolarHBondContact O-CB 3.07Å; M80-A84 PolarHBondContact O-N 3.08Å
81	I	95.1	Very high	93.3	Very high	94 Å²	94	49.9 Å²	49.9	48%	0.482	26%	0.261	S	S	.	.	H	α-helix	trans	-63.2	-45.4	177.2	-68.1	164.6	0	0	0	110.9	M77 V78 A79 F83 A84 L85	M77-I81 VanDerWaalsContact O-CG1 3.29Å; M77-I81 WeakPolarHBondContact O-CG1 3.41Å; M77-I81 PolarHBondContact O-N 3.33Å; V78-I81 PolarHBondContact O-N 2.86Å; A79-I81 PolarHBondContact O-N 3.39Å; I81-F83 VanDerWaalsContact C-N 3.34Å; I81-F83 PolarHBondContact O-N 3.22Å; I81-A84 PolarHBondContact O-N 2.82Å; I81-L85 HydrophobicContact CG2-CD1 3.93Å; I81-L85 HydrophobicContact CG2-CG 4.33Å; I81-L85 WeakPolarHBondContact O-CB 3.49Å; I81-L85 VanDerWaalsContact O-CG 3.26Å; I81-L85 WeakPolarHBondContact O-CG 3.49Å; I81-L85 PolarHBondContact O-N 2.83Å
82	I	95.2	Very high	93.5	Very high	81 Å²	81	47.5 Å²	47.5	42%	0.415	25%	0.254	S	S	.	.	H	α-helix	trans	-59.5	-46.4	178.6	-69.1	166.9	0	0	0	110.6	V78 A79 L85 F86	V78-I82 HydrophobicContact CG1-CD1 4.01Å; V78-I82 WeakPolarHBondContact O-CG1 3.01Å; V78-I82 PolarHBondContact O-N 3.41Å; V78-I82 VanDerWaalsContact O-N 3.07Å; A79-I82 PolarHBondContact O-N 3.28Å; I82-L85 PolarHBondContact O-N 3.48Å; I82-F86 WeakPolarHBondContact O-CB 3.23Å; I82-F86 PolarHBondContact O-N 3.32Å
83	F	95.8	Very high	93.9	Very high	11 Å²	11	44.4 Å²	44.4	5%	0.048	24%	0.239	C	C	.	.	H	α-helix	trans	-68.6	-38.2	179	-63.3	-42.9	0	0	0	113	W47 L48 W51 A79 M80 I81 F86 A87 I124 M127	W47-F83 AromaticContact CD1-CD1 3.53Å; W47-F83 AromaticContact CD1-CD2 3.96Å; W47-F83 AromaticContact CD1-CE1 3.95Å; W47-F83 AromaticContact CD1-CG 3.56Å; W47-F83 AromaticContact CE2-CE2 3.91Å; W47-F83 AromaticContact CE2-CZ 3.94Å; W47-F83 AromaticContact CZ2-CE2 3.98Å; W47-F83 HydrophobicContact CZ2-CE2 3.98Å; W47-F83 HydrophobicContact CZ2-CZ 4.04Å; W47-F83 AromaticContact NE1-CD1 3.2Å; W47-F83 AromaticContact NE1-CD2 3.22Å; W47-F83 AromaticContact NE1-CE1 3.22Å; W47-F83 AromaticContact NE1-CE2 3.22Å; W47-F83 AromaticContact NE1-CG 3.23Å; W47-F83 AromaticContact NE1-CZ 3.24Å; L48-F83 HydrophobicContact CD1-CB 4.43Å; W51-F83 AromaticContact CD2-CD2 3.96Å; W51-F83 HydrophobicContact CD2-CD2 3.96Å; W51-F83 HydrophobicContact CD2-CE2 4.02Å; W51-F83 HydrophobicContact CE3-CE2 4.21Å; W51-F83 AromaticContact CG-CD2 3.94Å; W51-F83 HydrophobicContact CG-CD2 3.94Å; W51-F83 HydrophobicContact CG-CE2 4.47Å; W51-F83 HydrophobicContact CZ2-CE2 4.43Å; W51-F83 HydrophobicContact CZ3-CE2 4.48Å; A79-F83 HydrophobicContact CB-CD2 4.34Å; A79-F83 HydrophobicContact CB-CE2 3.92Å; A79-F83 WeakPolarHBondContact O-CD2 3.46Å; A79-F83 WeakPolarHBondContact O-CG 3.28Å; A79-F83 PolarHBondContact O-N 2.95Å; M80-F83 PolarHBondContact O-N 3.26Å; I81-F83 VanDerWaalsContact C-N 3.34Å; I81-F83 PolarHBondContact O-N 3.22Å; F83-F86 PolarHBondContact O-N 3.18Å; F83-A87 WeakPolarHBondContact O-CB 3.44Å; F83-A87 PolarHBondContact O-N 2.74Å; F83-I124 HydrophobicContact CD1-CG1 4.49Å; F83-I124 HydrophobicContact CE1-CG1 4.27Å; F83-M127 HydrophobicContact CE2-CG 4.29Å; F83-M127 HydrophobicContact CZ-CB 4.32Å; F83-M127 HydrophobicContact CZ-CG 3.66Å
84	A	96.5	Very high	94.2	Very high	30 Å²	30	41.8 Å²	41.8	25%	0.248	23%	0.227	C	C	.	.	H	α-helix	trans	-63.7	-42.7	174.9	0	0	0	0	0	111.9	L48 M80 I81 S88	L48-A84 HydrophobicContact CD1-CB 4.08Å; M80-A84 VanDerWaalsContact O-CB 3.28Å; M80-A84 WeakPolarHBondContact O-CB 3.07Å; M80-A84 PolarHBondContact O-N 3.08Å; I81-A84 PolarHBondContact O-N 2.82Å; A84-S88 VanDerWaalsContact O-CB 3.26Å; A84-S88 WeakPolarHBondContact O-CB 3.48Å; A84-S88 PolarHBondContact O-N 3.49Å; A84-S88 PolarHBondContact O-OG 2.98Å
85	L	96.6	Very high	94.2	Very high	116 Å²	116	45.1 Å²	45.1	61%	0.607	24%	0.244	S	C	*	.	H	α-helix	trans	-63.7	-43.4	174.7	-71	173.7	0	0	0	111.4	I81 I82 S88 Y89	I81-L85 HydrophobicContact CG2-CD1 3.93Å; I81-L85 HydrophobicContact CG2-CG 4.33Å; I81-L85 WeakPolarHBondContact O-CB 3.49Å; I81-L85 VanDerWaalsContact O-CG 3.26Å; I81-L85 WeakPolarHBondContact O-CG 3.49Å; I81-L85 PolarHBondContact O-N 2.83Å; I82-L85 PolarHBondContact O-N 3.48Å; L85-S88 PolarHBondContact O-N 3.48Å; L85-Y89 VanDerWaalsContact O-CB 3.28Å; L85-Y89 WeakPolarHBondContact O-CB 3.25Å; L85-Y89 PolarHBondContact O-N 2.64Å
86	F	96.3	Very high	94	Very high	27 Å²	27	45.4 Å²	45.4	12%	0.118	25%	0.246	C	C	.	.	H	α-helix	trans	-63.8	-47.1	177.6	-178.1	-114.8	0	0	0	112.3	M40 I82 F83 S88 Y89 C90 I124	M40-F86 HydrophobicContact CE-CE1 4.47Å; M40-F86 HydrophobicContact CE-CZ 4.26Å; I82-F86 WeakPolarHBondContact O-CB 3.23Å; I82-F86 PolarHBondContact O-N 3.32Å; F83-F86 PolarHBondContact O-N 3.18Å; F86-S88 PolarHBondContact O-N 3.08Å; F86-Y89 HydrophobicContact CD2-CD1 4.49Å; F86-Y89 WeakPolarHBondContact O-CB 3.05Å; F86-Y89 PolarHBondContact O-N 3.25Å; F86-C90 PolarHBondContact O-N 3.14Å; F86-C90 PolarHBondContact O-SG 2.7Å; F86-I124 HydrophobicContact CD1-CD1 4.1Å; F86-I124 HydrophobicContact CE1-CD1 3.8Å
87	A	96.4	Very high	93.7	Very high	1 Å²	1	45.4 Å²	45.4	1%	0.008	25%	0.246	C	C	.	.	H	α-helix	trans	-61.8	-44.3	176.2	0	0	0	0	0	111.8	L48 F83 Y89 C90 L91	L48-A87 HydrophobicContact CB-CB 4.31Å; L48-A87 HydrophobicContact CD2-CB 3.97Å; F83-A87 WeakPolarHBondContact O-CB 3.44Å; F83-A87 PolarHBondContact O-N 2.74Å; A87-Y89 VanDerWaalsContact C-N 3.29Å; A87-Y89 PolarHBondContact O-N 3.3Å; A87-C90 PolarHBondContact O-N 3.21Å; A87-L91 WeakPolarHBondContact O-CB 3.36Å; A87-L91 WeakPolarHBondContact O-CG 3.47Å; A87-L91 PolarHBondContact O-N 3.27Å
88	S	96.6	Very high	93.3	Very high	71 Å²	71	46.9 Å²	46.9	50%	0.497	25%	0.254	S	S	.	.	H	α-helix	trans	-59.5	-41.8	175.7	-60.8	0	0	0	0	111.6	A84 L85 F86 L91 L92	A84-S88 VanDerWaalsContact O-CB 3.26Å; A84-S88 WeakPolarHBondContact O-CB 3.48Å; A84-S88 PolarHBondContact O-N 3.49Å; A84-S88 PolarHBondContact O-OG 2.98Å; L85-S88 PolarHBondContact O-N 3.48Å; F86-S88 PolarHBondContact O-N 3.08Å; S88-L91 PolarHBondContact O-N 3.01Å; S88-L92 WeakPolarHBondContact O-CB 3.36Å; S88-L92 PolarHBondContact O-N 3.23Å
89	Y	95.7	Very high	92.8	Very high	47 Å²	47	45.1 Å²	45.1	18%	0.184	24%	0.244	C	C	.	.	H	α-helix	trans	-64.2	-45.4	175.7	168.2	-99.8	0	0	0	112.4	L85 F86 A87 L92 L93 H113 L116	L85-Y89 VanDerWaalsContact O-CB 3.28Å; L85-Y89 WeakPolarHBondContact O-CB 3.25Å; L85-Y89 PolarHBondContact O-N 2.64Å; F86-Y89 HydrophobicContact CD2-CD1 4.49Å; F86-Y89 WeakPolarHBondContact O-CB 3.05Å; F86-Y89 PolarHBondContact O-N 3.25Å; A87-Y89 VanDerWaalsContact C-N 3.29Å; A87-Y89 PolarHBondContact O-N 3.3Å; Y89-L92 PolarHBondContact O-N 2.91Å; Y89-L93 HydrophobicContact CD1-CD1 4.17Å; Y89-L93 HydrophobicContact CE1-CD1 3.51Å; Y89-L93 HydrophobicContact CE1-CG 4.38Å; Y89-L93 HydrophobicContact CE2-CD1 4.14Å; Y89-L93 HydrophobicContact CE2-CG 4.28Å; Y89-L93 PolarHBondContact O-N 2.89Å; Y89-H113 AromaticContact CZ-ND1 3.73Å; Y89-H113 WeakPolarHBondContact OH-CA 3.21Å; Y89-H113 PolarHBondContact OH-ND1 2.93Å; Y89-L116 HydrophobicContact CE1-CB 4.12Å; Y89-L116 HydrophobicContact CE1-CD1 4.5Å; Y89-L116 HydrophobicContact CE2-CD1 4.31Å; Y89-L116 WeakPolarHBondContact OH-CD1 3.46Å
90	C	95.4	Very high	92.2	Very high	2 Å²	2	44.5 Å²	44.5	1%	0.014	24%	0.238	C	C	.	.	H	α-helix	trans	-64.3	-39.6	176.3	-71.6	0	0	0	0	112.5	A41 S44 F86 A87 L93 L94	A41-C90 HydrophobicContact CB-CB 4.26Å; S44-C90 WeakPolarHBondContact OG-CB 3.08Å; F86-C90 PolarHBondContact O-N 3.14Å; F86-C90 PolarHBondContact O-SG 2.7Å; A87-C90 PolarHBondContact O-N 3.21Å; C90-L93 PolarHBondContact O-N 3.29Å; C90-L94 WeakPolarHBondContact O-CB 3.44Å; C90-L94 PolarHBondContact O-N 2.93Å
91	L	94.9	Very high	91.4	Very high	84 Å²	84	45.8 Å²	45.8	44%	0.44	25%	0.248	S	C	.	.	H	α-helix	trans	-64.2	-40.5	174.1	-74.2	172.8	0	0	0	111.9	A41 V45 A87 S88 L94 L95	A41-L91 HydrophobicContact CB-CD2 4.44Å; V45-L91 HydrophobicContact CG2-CD1 3.99Å; V45-L91 HydrophobicContact CG2-CD2 3.95Å; V45-L91 HydrophobicContact CG2-CG 4.06Å; A87-L91 WeakPolarHBondContact O-CB 3.36Å; A87-L91 WeakPolarHBondContact O-CG 3.47Å; A87-L91 PolarHBondContact O-N 3.27Å; S88-L91 PolarHBondContact O-N 3.01Å; L91-L94 PolarHBondContact O-N 3.49Å; L91-L95 WeakPolarHBondContact O-CB 3.38Å; L91-L95 PolarHBondContact O-N 2.75Å
92	L	93.9	Very high	90.6	Very high	70 Å²	70	45 Å²	45	37%	0.366	25%	0.247	S	C	.	.	H	α-helix	trans	-64	-43.3	175.7	-174.9	64.4	0	0	0	111.2	F14 S88 Y89 L94 L95 F96	F14-L92 HydrophobicContact CE1-CD2 4.18Å; F14-L92 HydrophobicContact CE1-CG 4.32Å; F14-L92 HydrophobicContact CE2-CD2 4.49Å; F14-L92 HydrophobicContact CZ-CD2 3.72Å; F14-L92 HydrophobicContact CZ-CG 4.35Å; S88-L92 WeakPolarHBondContact O-CB 3.36Å; S88-L92 PolarHBondContact O-N 3.23Å; Y89-L92 PolarHBondContact O-N 2.91Å; L92-L94 VanDerWaalsContact C-N 3.34Å; L92-L94 PolarHBondContact O-N 3.28Å; L92-L95 HydrophobicContact CD1-CD2 4.49Å; L92-L95 WeakPolarHBondContact O-CB 3.42Å; L92-L95 PolarHBondContact O-N 2.87Å; L92-F96 HydrophobicContact CD1-CD2 4.07Å; L92-F96 HydrophobicContact CD1-CE2 3.51Å; L92-F96 HydrophobicContact CD1-CZ 4.25Å; L92-F96 HydrophobicContact CD2-CE2 4.13Å; L92-F96 HydrophobicContact CG-CD2 3.91Å; L92-F96 HydrophobicContact CG-CE2 3.57Å; L92-F96 WeakPolarHBondContact O-CD2 3.39Å; L92-F96 PolarHBondContact O-N 3.01Å
93	L	92.3	Very high	89.8	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-60.8	-42.1	173.4	-77	178.6	0	0	0	112.1	F14 V37 Y89 C90 F96 A97 H113 I117	F14-L93 HydrophobicContact CE1-CD2 4.06Å; V37-L93 HydrophobicContact CG1-CB 3.96Å; Y89-L93 HydrophobicContact CD1-CD1 4.17Å; Y89-L93 HydrophobicContact CE1-CD1 3.51Å; Y89-L93 HydrophobicContact CE1-CG 4.38Å; Y89-L93 HydrophobicContact CE2-CD1 4.14Å; Y89-L93 HydrophobicContact CE2-CG 4.28Å; Y89-L93 PolarHBondContact O-N 2.89Å; C90-L93 PolarHBondContact O-N 3.29Å; L93-F96 PolarHBondContact O-N 3.39Å; L93-A97 WeakPolarHBondContact O-CB 3.34Å; L93-A97 PolarHBondContact O-N 3.11Å; L93-H113 HydrophobicContact CD1-CB 4.29Å; L93-I117 HydrophobicContact CD1-CD1 4.14Å
94	L	91.6	Very high	88.7	Confident	30 Å²	30	51.1 Å²	51.1	16%	0.157	27%	0.268	C	S	.	.	H	α-helix	trans	-62.9	-43.5	175.6	179.1	59.8	0	0	0	111.2	V37 T38 A41 C90 L91 L92 F96 A97 L98	V37-L94 HydrophobicContact CG1-CB 4.07Å; V37-L94 HydrophobicContact CG1-CD1 4.45Å; T38-L94 HydrophobicContact CG2-CD1 4.42Å; T38-L94 WeakPolarHBondContact OG1-CD1 3.34Å; A41-L94 HydrophobicContact CB-CB 4.13Å; A41-L94 HydrophobicContact CB-CD2 3.78Å; C90-L94 WeakPolarHBondContact O-CB 3.44Å; C90-L94 PolarHBondContact O-N 2.93Å; L91-L94 PolarHBondContact O-N 3.49Å; L92-L94 VanDerWaalsContact C-N 3.34Å; L92-L94 PolarHBondContact O-N 3.28Å; L94-F96 PolarHBondContact O-N 3.25Å; L94-A97 WeakPolarHBondContact O-CB 3.36Å; L94-A97 PolarHBondContact O-N 2.71Å; L94-L98 HydrophobicContact CD1-CD1 4.41Å; L94-L98 HydrophobicContact CD1-CG 4.25Å; L94-L98 HydrophobicContact CG-CD1 4.19Å; L94-L98 HydrophobicContact CG-CG 4.47Å; L94-L98 VanDerWaalsContact O-CG 3.3Å; L94-L98 WeakPolarHBondContact O-CG 3.43Å; L94-L98 PolarHBondContact O-N 3.13Å
95	L	89.8	Confident	87.6	Confident	98 Å²	98	50.6 Å²	50.6	51%	0.513	26%	0.26	S	S	.	.	H	α-helix	trans	-58	-48.1	175.7	177.7	64.4	0	0	0	111.1	L91 L92 A97 L98 V99	L91-L95 WeakPolarHBondContact O-CB 3.38Å; L91-L95 PolarHBondContact O-N 2.75Å; L92-L95 HydrophobicContact CD1-CD2 4.49Å; L92-L95 WeakPolarHBondContact O-CB 3.42Å; L92-L95 PolarHBondContact O-N 2.87Å; L95-A97 VanDerWaalsContact C-N 3.34Å; L95-A97 PolarHBondContact O-N 2.97Å; L95-L98 PolarHBondContact O-N 2.93Å; L95-V99 WeakPolarHBondContact O-CG2 3.5Å; L95-V99 PolarHBondContact O-N 3.21Å
96	F	87.7	Confident	86.4	Confident	28 Å²	28	49 Å²	49	12%	0.123	25%	0.252	C	S	.	.	H	α-helix	trans	-64.3	-38.3	176.8	-76	-62.4	0	0	0	112.6	F10 F14 F15 L92 L93 L94 V99 Q100	F10-F96 HydrophobicContact CD1-CE1 4.16Å; F10-F96 HydrophobicContact CD1-CZ 4.46Å; F10-F96 HydrophobicContact CE1-CE1 4.12Å; F10-F96 AromaticContact CE1-CZ 3.97Å; F10-F96 HydrophobicContact CE1-CZ 3.97Å; F14-F96 HydrophobicContact CB-CD2 4.45Å; F14-F96 HydrophobicContact CB-CE1 4.49Å; F14-F96 HydrophobicContact CB-CE2 4.3Å; F14-F96 HydrophobicContact CB-CZ 4.33Å; F14-F96 AromaticContact CD1-CD2 3.2Å; F14-F96 HydrophobicContact CD1-CD2 3.2Å; F14-F96 AromaticContact CD1-CE2 3.31Å; F14-F96 HydrophobicContact CD1-CE2 3.31Å; F14-F96 AromaticContact CD1-CG 3.96Å; F14-F96 HydrophobicContact CD1-CG 3.96Å; F14-F96 HydrophobicContact CD1-CZ 4.16Å; F14-F96 HydrophobicContact CD2-CE2 4.13Å; F14-F96 HydrophobicContact CD2-CZ 4.46Å; F14-F96 AromaticContact CE1-CD2 3.52Å; F14-F96 HydrophobicContact CE1-CD2 3.52Å; F14-F96 AromaticContact CE1-CE2 3.52Å; F14-F96 HydrophobicContact CE1-CE2 3.52Å; F14-F96 HydrophobicContact CE2-CE2 4.3Å; F14-F96 AromaticContact CG-CD2 3.92Å; F14-F96 HydrophobicContact CG-CD2 3.92Å; F14-F96 AromaticContact CG-CE2 3.64Å; F14-F96 HydrophobicContact CG-CE2 3.64Å; F14-F96 HydrophobicContact CG-CZ 4.06Å; F14-F96 HydrophobicContact CZ-CD2 4.44Å; F14-F96 HydrophobicContact CZ-CE2 4.02Å; F15-F96 HydrophobicContact CD2-CB 4.36Å; L92-F96 HydrophobicContact CD1-CD2 4.07Å; L92-F96 HydrophobicContact CD1-CE2 3.51Å; L92-F96 HydrophobicContact CD1-CZ 4.25Å; L92-F96 HydrophobicContact CD2-CE2 4.13Å; L92-F96 HydrophobicContact CG-CD2 3.91Å; L92-F96 HydrophobicContact CG-CE2 3.57Å; L92-F96 WeakPolarHBondContact O-CD2 3.39Å; L92-F96 PolarHBondContact O-N 3.01Å; L93-F96 PolarHBondContact O-N 3.39Å; L94-F96 PolarHBondContact O-N 3.25Å; F96-V99 PolarHBondContact O-N 3.32Å; F96-Q100 WeakPolarHBondContact O-CG 3.28Å; F96-Q100 PolarHBondContact O-N 3.29Å
97	A	85.7	Confident	85.3	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-59.5	-47.7	173.6	0	0	0	0	0	111.2	F15 L93 L94 L95 V99 Q100 V101 L107	F15-A97 HydrophobicContact CE2-CB 3.8Å; F15-A97 HydrophobicContact CZ-CB 4.23Å; L93-A97 WeakPolarHBondContact O-CB 3.34Å; L93-A97 PolarHBondContact O-N 3.11Å; L94-A97 WeakPolarHBondContact O-CB 3.36Å; L94-A97 PolarHBondContact O-N 2.71Å; L95-A97 VanDerWaalsContact C-N 3.34Å; L95-A97 PolarHBondContact O-N 2.97Å; A97-V99 PolarHBondContact O-N 2.69Å; A97-Q100 WeakPolarHBondContact O-CB 3.35Å; A97-Q100 PolarHBondContact O-N 2.82Å; A97-V101 WeakPolarHBondContact O-CG2 3.41Å; A97-V101 PolarHBondContact O-N 2.77Å; A97-L107 HydrophobicContact CB-CD2 3.55Å
98	L	83.2	Confident	84.5	Confident	64 Å²	64	50.7 Å²	50.7	34%	0.335	26%	0.262	S	S	.	.	H	α-helix	trans	-62.2	-42.2	177.7	-68.8	172.2	0	0	0	111.9	L94 L95 Q100 V101 V102	L94-L98 HydrophobicContact CD1-CD1 4.41Å; L94-L98 HydrophobicContact CD1-CG 4.25Å; L94-L98 HydrophobicContact CG-CD1 4.19Å; L94-L98 HydrophobicContact CG-CG 4.47Å; L94-L98 VanDerWaalsContact O-CG 3.3Å; L94-L98 WeakPolarHBondContact O-CG 3.43Å; L94-L98 PolarHBondContact O-N 3.13Å; L95-L98 PolarHBondContact O-N 2.93Å; L98-Q100 VanDerWaalsContact C-N 3.32Å; L98-Q100 PolarHBondContact O-N 3.26Å; L98-V101 PolarHBondContact O-N 2.94Å; L98-V102 WeakPolarHBondContact O-CG2 3.48Å; L98-V102 PolarHBondContact O-N 2.85Å
99	V	83.9	Confident	83.8	Confident	41 Å²	41	47.3 Å²	47.3	25%	0.248	24%	0.239	C	C	.	.	H	α-helix	trans	-59.9	-42.9	174.9	169	0	0	0	0	110.9	L95 F96 A97 V102 L103	L95-V99 WeakPolarHBondContact O-CG2 3.5Å; L95-V99 PolarHBondContact O-N 3.21Å; F96-V99 PolarHBondContact O-N 3.32Å; A97-V99 PolarHBondContact O-N 2.69Å; V99-V102 PolarHBondContact O-N 2.97Å; V99-L103 HydrophobicContact CG1-CD1 3.56Å; V99-L103 HydrophobicContact CG1-CG 4.33Å; V99-L103 WeakPolarHBondContact O-CB 3.3Å; V99-L103 WeakPolarHBondContact O-CG 3.34Å; V99-L103 PolarHBondContact O-N 2.91Å
100	Q	79.7	Confident	83.4	Confident	1 Å²	1	47.1 Å²	47.1	1%	0.005	24%	0.239	C	C	.	.	H	α-helix	trans	-64.7	-41.2	176.2	-73.5	-173.9	7.7	0	0	113	S11 F96 A97 L98 V102 L103 R104 E105 L107	S11-Q100 PolarHBondContact O-NE2 2.69Å; F96-Q100 WeakPolarHBondContact O-CG 3.28Å; F96-Q100 PolarHBondContact O-N 3.29Å; A97-Q100 WeakPolarHBondContact O-CB 3.35Å; A97-Q100 PolarHBondContact O-N 2.82Å; L98-Q100 VanDerWaalsContact C-N 3.32Å; L98-Q100 PolarHBondContact O-N 3.26Å; Q100-V102 VanDerWaalsContact C-N 3.31Å; Q100-V102 PolarHBondContact O-N 3.25Å; Q100-L103 CarbonylContact O-C 3.05Å; Q100-L103 PolarHBondContact O-N 3.43Å; Q100-R104 PolarHBondContact O-N 3.5Å; Q100-E105 HydrophobicContact CB-CB 4.07Å; Q100-E105 HydrophobicContact CG-CB 4.31Å; Q100-E105 PolarHBondContact O-N 3.32Å; Q100-L107 HydrophobicContact CB-CD2 4.41Å; Q100-L107 HydrophobicContact CB-CG 4.4Å
101	V	77.8	Confident	82.9	Confident	66 Å²	66	55.3 Å²	55.3	40%	0.4	27%	0.27	S	S	.	.	H	α-helix	trans	-58.7	-44.4	173.3	172.4	0	0	0	0	110.7	A97 L98 L103 R104 L107	A97-V101 WeakPolarHBondContact O-CG2 3.41Å; A97-V101 PolarHBondContact O-N 2.77Å; L98-V101 PolarHBondContact O-N 2.94Å; V101-L103 VanDerWaalsContact C-N 3.33Å; V101-L103 PolarHBondContact O-N 2.87Å; V101-R104 PolarHBondContact O-N 2.95Å; V101-L107 HydrophobicContact CG2-CD1 3.78Å
102	V	78.4	Confident	82.7	Confident	77 Å²	77	54.8 Å²	54.8	47%	0.467	27%	0.267	S	S	.	.	H	α-helix	trans	-63.2	-40.6	177.6	171.1	0	0	0	0	111.4	L98 V99 Q100 R104	L98-V102 WeakPolarHBondContact O-CG2 3.48Å; L98-V102 PolarHBondContact O-N 2.85Å; V99-V102 PolarHBondContact O-N 2.97Å; Q100-V102 VanDerWaalsContact C-N 3.31Å; Q100-V102 PolarHBondContact O-N 3.25Å; V102-R104 PolarHBondContact O-N 3.2Å
103	L	77.9	Confident	82.6	Confident	42 Å²	42	52.2 Å²	52.2	22%	0.22	25%	0.253	C	S	.	.	H	α-helix	trans	-78.9	-2.9	179.6	-65.4	169.2	0	0	0	113.7	R8 V99 Q100 V101 E105	R8-L103 HydrophobicContact CG-CB 4.32Å; R8-L103 HydrophobicContact CG-CD1 3.72Å; R8-L103 HydrophobicContact CG-CD2 4.13Å; R8-L103 HydrophobicContact CG-CG 4.27Å; V99-L103 HydrophobicContact CG1-CD1 3.56Å; V99-L103 HydrophobicContact CG1-CG 4.33Å; V99-L103 WeakPolarHBondContact O-CB 3.3Å; V99-L103 WeakPolarHBondContact O-CG 3.34Å; V99-L103 PolarHBondContact O-N 2.91Å; Q100-L103 CarbonylContact O-C 3.05Å; Q100-L103 PolarHBondContact O-N 3.43Å; V101-L103 VanDerWaalsContact C-N 3.33Å; V101-L103 PolarHBondContact O-N 2.87Å; L103-E105 VanDerWaalsContact C-N 3.35Å; L103-E105 HydrophobicContact CB-CG 3.92Å
104	R	73.1	Confident	82.5	Confident	178 Å²	178	54.8 Å²	54.8	67%	0.672	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.4	43.2	-176.3	-59.3	-177.4	171.2	178.4	-3.8	113.1	Q100 V101 V102	Q100-R104 PolarHBondContact O-N 3.5Å; V101-R104 PolarHBondContact O-N 2.95Å; V102-R104 PolarHBondContact O-N 3.2Å
105	E	73.1	Confident	82.5	Confident	20 Å²	20	55.5 Å²	55.5	9%	0.093	27%	0.274	C	S	.	.			trans	-96.5	150.3	176.6	-63.9	-62.6	174.8	0	0	111.4	R8 R12 Q100 L103 L107	R8-E105 WeakPolarHBondContact CD-OE1 3.4Å; R12-E105 IonicContact CZ-OE1 2.66Å; R12-E105 IonicContact CZ-OE2 3.22Å; R12-E105 IonicContact NE-OE1 2.95Å; R12-E105 PolarHBondContact NE-OE1 2.73Å; R12-E105 IonicContact NE-OE2 3.29Å; R12-E105 PolarHBondContact NE-OE2 2.91Å; R12-E105 IonicContact NH2-OE1 3.87Å; R12-E105 PolarHBondContact NH2-OE1 3.28Å; R12-E105 IonicContact NH2-OE2 2.64Å; R12-E105 PolarHBondContact NH2-OE2 2.58Å; Q100-E105 HydrophobicContact CB-CB 4.07Å; Q100-E105 HydrophobicContact CG-CB 4.31Å; Q100-E105 PolarHBondContact O-N 3.32Å; L103-E105 VanDerWaalsContact C-N 3.35Å; L103-E105 HydrophobicContact CB-CG 3.92Å; E105-L107 PolarHBondContact O-N 3.41Å
106	N	70.4	Confident	82.7	Confident	81 Å²	81	54.8 Å²	54.8	43%	0.433	27%	0.271	S	S	.	.			trans	-70.9	125.3	172.5	-72.2	-24.9	0	0	0	109	D24 D108	D24-N106 PolarHBondContact OD1-ND2 2.89Å; N106-D108 PolarHBondContact O-N 3.14Å
107	L	73.9	Confident	83	Confident	12 Å²	12	53.7 Å²	53.7	6%	0.063	27%	0.266	C	S	.	.			trans	-80.2	97.6	172.9	-63.7	116	0	0	0	109.3	F15 S30 C34 A97 Q100 V101 E105	F15-L107 HydrophobicContact CE1-CB 3.74Å; F15-L107 HydrophobicContact CE1-CD2 3.91Å; F15-L107 HydrophobicContact CE1-CG 4.33Å; F15-L107 HydrophobicContact CE2-CD2 4.3Å; F15-L107 HydrophobicContact CZ-CB 4.19Å; F15-L107 HydrophobicContact CZ-CD2 3.63Å; S30-L107 WeakPolarHBondContact CA-O 3.4Å; S30-L107 WeakPolarHBondContact OG-CB 3.47Å; S30-L107 WeakPolarHBondContact OG-CD1 3.24Å; S30-L107 PolarHBondContact OG-N 3.11Å; C34-L107 HydrophobicContact CB-CD1 4.22Å; C34-L107 HydrophobicContact CB-CD2 4.36Å; A97-L107 HydrophobicContact CB-CD2 3.55Å; Q100-L107 HydrophobicContact CB-CD2 4.41Å; Q100-L107 HydrophobicContact CB-CG 4.4Å; V101-L107 HydrophobicContact CG2-CD1 3.78Å; E105-L107 PolarHBondContact O-N 3.41Å
108	D	78.7	Confident	83.3	Confident	52 Å²	52	57.4 Å²	57.4	28%	0.278	29%	0.291	S	S	.	.			trans	-107.8	108.4	165.6	-172.8	21.7	0	0	0	109.5	F15 S16 Q22 N106	F15-D108 VanDerWaalsContact CD1-O 3.28Å; F15-D108 WeakPolarHBondContact CD1-O 3.48Å; S16-D108 VanDerWaalsContact CA-O 3.31Å; S16-D108 WeakPolarHBondContact CA-O 3.29Å; S16-D108 WeakPolarHBondContact CB-O 3.46Å; Q22-D108 PolarHBondContact OE1-OD2 2.64Å; N106-D108 PolarHBondContact O-N 3.14Å
109	L	83.6	Confident	83.9	Confident	1 Å²	1	58.4 Å²	58.4	1%	0.005	30%	0.3	C	S	.	.			trans	-81.2	120.9	-178.9	-173.7	68.4	0	0	0	109.2	F15 W33 M36 V37 H113 K114 I117	F15-L109 HydrophobicContact CD2-CD1 4.25Å; F15-L109 HydrophobicContact CE1-CB 4.06Å; F15-L109 HydrophobicContact CE1-CD1 4.15Å; F15-L109 HydrophobicContact CE2-CD1 3.84Å; F15-L109 HydrophobicContact CZ-CB 4.24Å; F15-L109 HydrophobicContact CZ-CD1 3.78Å; W33-L109 HydrophobicContact CB-CB 4.31Å; W33-L109 HydrophobicContact CD2-CB 4.24Å; W33-L109 HydrophobicContact CE3-CB 4.43Å; W33-L109 HydrophobicContact CE3-CD2 4.04Å; W33-L109 HydrophobicContact CG-CB 4.17Å; M36-L109 HydrophobicContact CE-CD2 3.61Å; V37-L109 HydrophobicContact CG2-CD1 4.4Å; V37-L109 HydrophobicContact CG2-CD2 4.09Å; L109-H113 HydrophobicContact CD1-CB 3.62Å; L109-H113 HydrophobicContact CD2-CB 4.37Å; L109-H113 HydrophobicContact CG-CB 3.92Å; L109-K114 HydrophobicContact CD2-CG 3.85Å; L109-K114 HydrophobicContact CG-CG 4.24Å; L109-K114 WeakPolarHBondContact O-CE 3.45Å; L109-K114 PolarHBondContact O-NZ 3.1Å; L109-I117 HydrophobicContact CD2-CD1 4.32Å
110	H	85.8	Confident	84.3	Confident	42 Å²	42	56.7 Å²	56.7	19%	0.194	29%	0.29	C	S	.	.			trans	-59.9	148.4	178	-168	-104.2	0	0	0	112.1	F15 C17 I112 H113 K114	F15-H110 PolarHBondContact O-N 3.06Å; C17-H110 HydrophobicContact CB-CB 4.41Å; C17-H110 VanDerWaalsContact SG-CG 3.52Å; H110-I112 PolarHBondContact ND1-N 3.17Å; H110-I112 PolarHBondContact O-N 2.99Å; H110-H113 PolarHBondContact O-N 3.12Å; H110-H113 VanDerWaalsContact O-N 3.09Å; H110-K114 PolarHBondContact O-N 2.92Å
111	W	85.4	Confident	85	Confident	174 Å²	174	59.1 Å²	59.1	66%	0.659	31%	0.305	S	S	*	.	H	α-helix	trans	-62.3	-30.4	-175.1	72.2	-91.5	0	0	0	113.3	H113 K114 A115	W111-H113 VanDerWaalsContact C-N 3.32Å; W111-H113 PolarHBondContact O-N 3.16Å; W111-K114 WeakPolarHBondContact O-CB 3.09Å; W111-K114 PolarHBondContact O-N 2.84Å; W111-A115 PolarHBondContact O-N 2.99Å
112	I	90.9	Very high	85.8	Confident	73 Å²	73	60.7 Å²	60.7	37%	0.374	32%	0.315	S	S	.	.	H	α-helix	trans	-59.8	-43.8	174.9	-67.4	173.8	0	0	0	110.6	H110 K114 A115 L116	H110-I112 PolarHBondContact ND1-N 3.17Å; H110-I112 PolarHBondContact O-N 2.99Å; I112-K114 VanDerWaalsContact C-N 3.31Å; I112-K114 PolarHBondContact O-N 2.65Å; I112-A115 PolarHBondContact O-N 3.44Å; I112-L116 HydrophobicContact CG2-CD1 3.89Å; I112-L116 HydrophobicContact CG2-CG 4.34Å; I112-L116 WeakPolarHBondContact O-CG 3.39Å; I112-L116 PolarHBondContact O-N 2.96Å
113	H	91.9	Very high	86.5	Confident	16 Å²	16	61 Å²	61	7%	0.074	31%	0.313	C	S	.	.	H	α-helix	trans	-65.8	-37.2	179	-59.6	-54.5	0	0	0	111.7	F14 F15 Y89 L93 L109 H110 W111 L116 I117	F14-H113 PolarHBondContact O-NE2 2.97Å; F15-H113 PolarHBondContact O-CD2 2.98Å; Y89-H113 AromaticContact CZ-ND1 3.73Å; Y89-H113 WeakPolarHBondContact OH-CA 3.21Å; Y89-H113 PolarHBondContact OH-ND1 2.93Å; L93-H113 HydrophobicContact CD1-CB 4.29Å; L109-H113 HydrophobicContact CD1-CB 3.62Å; L109-H113 HydrophobicContact CD2-CB 4.37Å; L109-H113 HydrophobicContact CG-CB 3.92Å; H110-H113 PolarHBondContact O-N 3.12Å; H110-H113 VanDerWaalsContact O-N 3.09Å; W111-H113 VanDerWaalsContact C-N 3.32Å; W111-H113 PolarHBondContact O-N 3.16Å; H113-L116 PolarHBondContact O-N 2.7Å; H113-I117 WeakPolarHBondContact O-CB 3.43Å; H113-I117 WeakPolarHBondContact O-CD1 3.35Å; H113-I117 WeakPolarHBondContact O-CG1 3.04Å; H113-I117 PolarHBondContact O-N 2.98Å
114	K	90.2	Very high	87.4	Confident	55 Å²	55	59.3 Å²	59.3	24%	0.239	30%	0.304	C	S	.	.	H	α-helix	trans	-60.7	-47.1	173.9	-60.7	172.4	-172	160	0	110.6	W33 L109 H110 W111 I112 I117 C118	W33-K114 HydrophobicContact CH2-CD 3.62Å; W33-K114 HydrophobicContact CH2-CG 4.33Å; W33-K114 HydrophobicContact CZ2-CD 4.18Å; W33-K114 HydrophobicContact CZ3-CD 3.84Å; W33-K114 HydrophobicContact CZ3-CG 4.05Å; L109-K114 HydrophobicContact CD2-CG 3.85Å; L109-K114 HydrophobicContact CG-CG 4.24Å; L109-K114 WeakPolarHBondContact O-CE 3.45Å; L109-K114 PolarHBondContact O-NZ 3.1Å; H110-K114 PolarHBondContact O-N 2.92Å; W111-K114 WeakPolarHBondContact O-CB 3.09Å; W111-K114 PolarHBondContact O-N 2.84Å; I112-K114 VanDerWaalsContact C-N 3.31Å; I112-K114 PolarHBondContact O-N 2.65Å; K114-I117 PolarHBondContact O-N 3.03Å; K114-C118 PolarHBondContact O-N 2.91Å; K114-C118 PolarHBondContact O-SG 3.08Å
115	A	91.6	Very high	88.4	Confident	44 Å²	44	54.4 Å²	54.4	36%	0.364	29%	0.294	S	S	.	.	H	α-helix	trans	-61.2	-47.7	177.4	0	0	0	0	0	112.2	W111 I112 I117 C118 V119	W111-A115 PolarHBondContact O-N 2.99Å; I112-A115 PolarHBondContact O-N 3.44Å; A115-I117 PolarHBondContact O-N 2.96Å; A115-C118 PolarHBondContact O-N 2.85Å; A115-V119 WeakPolarHBondContact O-CG2 3.4Å; A115-V119 PolarHBondContact O-N 3.18Å
116	L	93.8	Very high	89.3	Confident	83 Å²	83	55.8 Å²	55.8	44%	0.435	31%	0.309	S	S	.	.	H	α-helix	trans	-62	-40.8	178.5	-72	172.5	0	0	0	112.5	Y89 I112 H113 V119 G120	Y89-L116 HydrophobicContact CE1-CB 4.12Å; Y89-L116 HydrophobicContact CE1-CD1 4.5Å; Y89-L116 HydrophobicContact CE2-CD1 4.31Å; Y89-L116 WeakPolarHBondContact OH-CD1 3.46Å; I112-L116 HydrophobicContact CG2-CD1 3.89Å; I112-L116 HydrophobicContact CG2-CG 4.34Å; I112-L116 WeakPolarHBondContact O-CG 3.39Å; I112-L116 PolarHBondContact O-N 2.96Å; H113-L116 PolarHBondContact O-N 2.7Å; L116-V119 PolarHBondContact O-N 3.03Å; L116-G120 PolarHBondContact O-N 3.37Å
117	I	93.5	Very high	90.3	Very high	5 Å²	5	53.7 Å²	53.7	3%	0.026	30%	0.297	C	S	.	.	H	α-helix	trans	-61.7	-47.3	173.9	-73.1	168.8	0	0	0	110.4	M36 M40 L93 L109 H113 K114 A115 V119 G120 V121	M36-I117 HydrophobicContact CE-CD1 3.85Å; M36-I117 HydrophobicContact CE-CG2 4.42Å; M40-I117 HydrophobicContact CB-CG2 4.31Å; M40-I117 HydrophobicContact CE-CG2 4.11Å; M40-I117 HydrophobicContact CG-CG2 3.62Å; M40-I117 HydrophobicContact SD-CG2 4.09Å; L93-I117 HydrophobicContact CD1-CD1 4.14Å; L109-I117 HydrophobicContact CD2-CD1 4.32Å; H113-I117 WeakPolarHBondContact O-CB 3.43Å; H113-I117 WeakPolarHBondContact O-CD1 3.35Å; H113-I117 WeakPolarHBondContact O-CG1 3.04Å; H113-I117 PolarHBondContact O-N 2.98Å; K114-I117 PolarHBondContact O-N 3.03Å; A115-I117 PolarHBondContact O-N 2.96Å; I117-V119 PolarHBondContact O-N 2.97Å; I117-G120 PolarHBondContact O-N 3.5Å; I117-V121 WeakPolarHBondContact O-CG2 3.07Å; I117-V121 PolarHBondContact O-N 3.31Å
118	C	93.1	Very high	91.2	Very high	78 Å²	78	55.9 Å²	55.9	53%	0.527	31%	0.308	S	S	.	.	H	α-helix	trans	-59.7	-44.7	178.2	-70.6	0	0	0	0	112.2	K114 A115 G120 V121 V122	K114-C118 PolarHBondContact O-N 2.91Å; K114-C118 PolarHBondContact O-SG 3.08Å; A115-C118 PolarHBondContact O-N 2.85Å; C118-G120 VanDerWaalsContact C-N 3.35Å; C118-G120 PolarHBondContact O-N 2.97Å; C118-V121 PolarHBondContact O-N 2.87Å; C118-V122 WeakPolarHBondContact O-CG2 3.2Å; C118-V122 PolarHBondContact O-N 3.34Å
119	V	94.3	Very high	91.9	Very high	86 Å²	86	56.9 Å²	56.9	52%	0.521	32%	0.316	S	S	.	.	H	α-helix	trans	-60.3	-45.9	176.5	171.4	0	0	0	0	110.7	A115 L116 I117 V121 V122 L123	A115-V119 WeakPolarHBondContact O-CG2 3.4Å; A115-V119 PolarHBondContact O-N 3.18Å; L116-V119 PolarHBondContact O-N 3.03Å; I117-V119 PolarHBondContact O-N 2.97Å; V119-V121 PolarHBondContact O-N 2.5Å; V119-V122 PolarHBondContact O-N 3.44Å; V119-L123 HydrophobicContact CG1-CD1 4.08Å; V119-L123 HydrophobicContact CG1-CG 4.48Å; V119-L123 WeakPolarHBondContact O-CG 3.45Å; V119-L123 PolarHBondContact O-N 2.95Å
120	G	94.2	Very high	92.2	Very high	5 Å²	5	59.4 Å²	59.4	5%	0.052	33%	0.331	C	S	.	.	H	α-helix	trans	-62.4	-39.5	177.9	0	0	0	0	0	113.5	L116 I117 C118 L123 I124	L116-G120 PolarHBondContact O-N 3.37Å; I117-G120 PolarHBondContact O-N 3.5Å; C118-G120 VanDerWaalsContact C-N 3.35Å; C118-G120 PolarHBondContact O-N 2.97Å; G120-L123 PolarHBondContact O-N 3.38Å; G120-I124 WeakPolarHBondContact O-CG1 3.01Å; G120-I124 PolarHBondContact O-N 2.69Å
121	V	92.6	Very high	92.4	Very high	51 Å²	51	57.5 Å²	57.5	31%	0.309	32%	0.323	S	S	.	.	H	α-helix	trans	-60.3	-48	173.3	173.6	0	0	0	0	110.9	M40 I117 C118 V119 L123 I124 V125	M40-V121 HydrophobicContact CE-CG2 3.17Å; M40-V121 HydrophobicContact SD-CG2 3.54Å; M40-V121 VanDerWaalsContact SD-CG2 3.54Å; I117-V121 WeakPolarHBondContact O-CG2 3.07Å; I117-V121 PolarHBondContact O-N 3.31Å; C118-V121 PolarHBondContact O-N 2.87Å; V119-V121 PolarHBondContact O-N 2.5Å; V121-L123 VanDerWaalsContact C-N 3.28Å; V121-L123 PolarHBondContact O-N 2.89Å; V121-I124 PolarHBondContact O-N 2.96Å; V121-V125 HydrophobicContact CG1-CG2 4.19Å; V121-V125 WeakPolarHBondContact O-CG2 3.46Å; V121-V125 PolarHBondContact O-N 3.06Å
122	V	95.3	Very high	92.7	Very high	99 Å²	99	52.4 Å²	52.4	60%	0.6	31%	0.311	S	S	*	.	H	α-helix	trans	-59.9	-41.6	179.7	170.2	0	0	0	0	110.8	C118 V119 V125 A126	C118-V122 WeakPolarHBondContact O-CG2 3.2Å; C118-V122 PolarHBondContact O-N 3.34Å; V119-V122 PolarHBondContact O-N 3.44Å; V122-V125 PolarHBondContact O-N 3.14Å; V122-A126 VanDerWaalsContact O-CB 3.26Å; V122-A126 WeakPolarHBondContact O-CB 3.36Å; V122-A126 PolarHBondContact O-N 3.21Å
123	L	94.2	Very high	92.7	Very high	83 Å²	83	55.2 Å²	55.2	44%	0.435	33%	0.326	S	S	.	.	H	α-helix	trans	-63.4	-44.5	176.3	-70.8	171.4	0	0	0	112.4	V119 G120 V121 A126 M127	V119-L123 HydrophobicContact CG1-CD1 4.08Å; V119-L123 HydrophobicContact CG1-CG 4.48Å; V119-L123 WeakPolarHBondContact O-CG 3.45Å; V119-L123 PolarHBondContact O-N 2.95Å; G120-L123 PolarHBondContact O-N 3.38Å; V121-L123 VanDerWaalsContact C-N 3.28Å; V121-L123 PolarHBondContact O-N 2.89Å; L123-A126 PolarHBondContact O-N 2.93Å; L123-M127 PolarHBondContact O-N 2.8Å
124	I	94.9	Very high	92.6	Very high	7 Å²	7	60.7 Å²	60.7	4%	0.036	35%	0.349	C	S	.	.	H	α-helix	trans	-61.1	-49.6	176.5	-70.1	173.4	0	0	0	110.3	I43 W47 F83 F86 G120 V121 A126 M127 I128	I43-I124 HydrophobicContact CG2-CD1 4.4Å; W47-I124 HydrophobicContact CB-CD1 4.07Å; W47-I124 HydrophobicContact CB-CG1 4.46Å; W47-I124 HydrophobicContact CB-CG2 4.37Å; W47-I124 HydrophobicContact CD2-CB 4.49Å; W47-I124 HydrophobicContact CD2-CG1 4.3Å; W47-I124 HydrophobicContact CD2-CG2 3.74Å; W47-I124 HydrophobicContact CE3-CG2 3.98Å; W47-I124 HydrophobicContact CG-CB 4.48Å; W47-I124 HydrophobicContact CG-CD1 3.99Å; W47-I124 HydrophobicContact CG-CG1 3.85Å; W47-I124 HydrophobicContact CG-CG2 3.92Å; F83-I124 HydrophobicContact CD1-CG1 4.49Å; F83-I124 HydrophobicContact CE1-CG1 4.27Å; F86-I124 HydrophobicContact CD1-CD1 4.1Å; F86-I124 HydrophobicContact CE1-CD1 3.8Å; G120-I124 WeakPolarHBondContact O-CG1 3.01Å; G120-I124 PolarHBondContact O-N 2.69Å; V121-I124 PolarHBondContact O-N 2.96Å; I124-A126 VanDerWaalsContact C-N 3.34Å; I124-A126 PolarHBondContact O-N 3.12Å; I124-M127 PolarHBondContact O-N 3Å; I124-I128 HydrophobicContact CG2-CD1 3.8Å; I124-I128 HydrophobicContact CG2-CG1 4.44Å; I124-I128 WeakPolarHBondContact O-CG1 3.26Å; I124-I128 PolarHBondContact O-N 3.1Å
125	V	94.9	Very high	92.4	Very high	76 Å²	76	59.3 Å²	59.3	46%	0.461	34%	0.344	S	S	.	.	H	α-helix	trans	-61.8	-43.1	-180	172.5	0	0	0	0	111	V121 V122 M127 I128 V129	V121-V125 HydrophobicContact CG1-CG2 4.19Å; V121-V125 WeakPolarHBondContact O-CG2 3.46Å; V121-V125 PolarHBondContact O-N 3.06Å; V122-V125 PolarHBondContact O-N 3.14Å; V125-M127 VanDerWaalsContact C-N 3.33Å; V125-M127 PolarHBondContact O-N 3.24Å; V125-I128 PolarHBondContact O-N 3.19Å; V125-V129 VanDerWaalsContact O-CG2 3.3Å; V125-V129 WeakPolarHBondContact O-CG2 3.19Å; V125-V129 PolarHBondContact O-N 3.03Å
126	A	93	Very high	92.3	Very high	49 Å²	49	60.7 Å²	60.7	41%	0.405	35%	0.349	S	S	.	.	H	α-helix	trans	-59.4	-43.6	176.6	0	0	0	0	0	111.7	V122 L123 I124 V129 V130	V122-A126 VanDerWaalsContact O-CB 3.26Å; V122-A126 WeakPolarHBondContact O-CB 3.36Å; V122-A126 PolarHBondContact O-N 3.21Å; L123-A126 PolarHBondContact O-N 2.93Å; I124-A126 VanDerWaalsContact C-N 3.34Å; I124-A126 PolarHBondContact O-N 3.12Å; A126-V129 PolarHBondContact O-N 2.91Å; A126-V130 WeakPolarHBondContact O-CG2 3.25Å; A126-V130 PolarHBondContact O-N 3.46Å
127	M	91	Very high	91.9	Very high	36 Å²	36	61.8 Å²	61.8	18%	0.177	35%	0.352	C	S	.	.	H	α-helix	trans	-67.6	-40.8	177.4	-75.4	-48	-63	0	0	113.3	W47 W51 F61 F83 L123 I124 V125 V129 V130 M131	W47-M127 HydrophobicContact CH2-CB 3.89Å; W47-M127 HydrophobicContact CZ2-CB 3.53Å; W47-M127 HydrophobicContact CZ2-CG 4.37Å; W51-M127 HydrophobicContact CH2-CE 3.78Å; W51-M127 HydrophobicContact CZ3-CE 4.12Å; F61-M127 HydrophobicContact CE2-CE 3.61Å; F61-M127 HydrophobicContact CZ-CE 3.6Å; F83-M127 HydrophobicContact CE2-CG 4.29Å; F83-M127 HydrophobicContact CZ-CB 4.32Å; F83-M127 HydrophobicContact CZ-CG 3.66Å; L123-M127 PolarHBondContact O-N 2.8Å; I124-M127 PolarHBondContact O-N 3Å; V125-M127 VanDerWaalsContact C-N 3.33Å; V125-M127 PolarHBondContact O-N 3.24Å; M127-V129 VanDerWaalsContact C-N 3.25Å; M127-V129 PolarHBondContact O-N 3.19Å; M127-V130 PolarHBondContact O-N 3.33Å; M127-M131 WeakPolarHBondContact O-CB 3.36Å; M127-M131 WeakPolarHBondContact O-CG 2.96Å; M127-M131 PolarHBondContact O-N 3.32Å
128	I	92.8	Very high	91.7	Very high	59 Å²	59	62 Å²	62	30%	0.303	35%	0.352	S	S	.	.	H	α-helix	trans	-55.6	-45.9	172.6	-69.6	168.5	0	0	0	109.9	W47 I124 V125 M131 T132 W139	W47-I128 HydrophobicContact CE3-CD1 4.19Å; W47-I128 HydrophobicContact CE3-CG1 3.99Å; W47-I128 HydrophobicContact CH2-CG1 3.7Å; W47-I128 HydrophobicContact CZ3-CD1 3.97Å; W47-I128 HydrophobicContact CZ3-CG1 3.27Å; I124-I128 HydrophobicContact CG2-CD1 3.8Å; I124-I128 HydrophobicContact CG2-CG1 4.44Å; I124-I128 WeakPolarHBondContact O-CG1 3.26Å; I124-I128 PolarHBondContact O-N 3.1Å; V125-I128 PolarHBondContact O-N 3.19Å; I128-M131 PolarHBondContact O-N 2.93Å; I128-T132 WeakPolarHBondContact O-CB 2.96Å; I128-T132 PolarHBondContact O-N 3Å; I128-T132 PolarHBondContact O-OG1 3.16Å; I128-W139 HydrophobicContact CG1-CH2 4.27Å; I128-W139 HydrophobicContact CG2-CH2 4.34Å; I128-W139 HydrophobicContact CG2-CZ2 4.05Å
129	V	92.9	Very high	91.5	Very high	72 Å²	72	61.2 Å²	61.2	44%	0.436	34%	0.339	S	S	.	.	H	α-helix	trans	-62.8	-46.5	179.2	171.1	0	0	0	0	111.4	V125 A126 M127 M131 T132 L133	V125-V129 VanDerWaalsContact O-CG2 3.3Å; V125-V129 WeakPolarHBondContact O-CG2 3.19Å; V125-V129 PolarHBondContact O-N 3.03Å; A126-V129 PolarHBondContact O-N 2.91Å; M127-V129 VanDerWaalsContact C-N 3.25Å; M127-V129 PolarHBondContact O-N 3.19Å; V129-M131 PolarHBondContact O-N 3.31Å; V129-T132 PolarHBondContact O-N 3.07Å; V129-L133 HydrophobicContact CG1-CD1 3.64Å; V129-L133 HydrophobicContact CG1-CG 4.27Å; V129-L133 WeakPolarHBondContact O-CB 3.2Å; V129-L133 VanDerWaalsContact O-CG 3.25Å; V129-L133 WeakPolarHBondContact O-CG 3.28Å; V129-L133 PolarHBondContact O-N 3.05Å
130	V	90.1	Very high	91.4	Very high	55 Å²	55	62 Å²	62	33%	0.333	34%	0.336	S	S	.	.	H	α-helix	trans	-59.6	-49.1	178.2	171.4	0	0	0	0	110.8	A126 M127 L133 K134	A126-V130 WeakPolarHBondContact O-CG2 3.25Å; A126-V130 PolarHBondContact O-N 3.46Å; M127-V130 PolarHBondContact O-N 3.33Å; V130-L133 PolarHBondContact O-N 3.47Å; V130-K134 HydrophobicContact CG1-CG 4.46Å; V130-K134 VanDerWaalsContact O-CB 3.28Å; V130-K134 WeakPolarHBondContact O-CB 3.49Å; V130-K134 WeakPolarHBondContact O-CG 3.28Å; V130-K134 PolarHBondContact O-N 3.06Å
131	M	88.9	Confident	91.4	Very high	2 Å²	2	61.7 Å²	61.7	1%	0.01	33%	0.334	C	S	.	.	H	α-helix	trans	-60.2	-49.7	179	-74.4	-169.4	74.7	0	0	112	W47 W51 I54 M127 I128 V129 L133 K134 Q135 E138 W139	W47-M131 HydrophobicContact CH2-SD 4.25Å; W51-M131 HydrophobicContact CE3-SD 4.38Å; W51-M131 HydrophobicContact CZ3-SD 3.74Å; I54-M131 HydrophobicContact CD1-CE 3.3Å; I54-M131 HydrophobicContact CD1-SD 3.86Å; I54-M131 HydrophobicContact CG1-CE 4.04Å; I54-M131 HydrophobicContact CG2-CE 4.1Å; M127-M131 WeakPolarHBondContact O-CB 3.36Å; M127-M131 WeakPolarHBondContact O-CG 2.96Å; M127-M131 PolarHBondContact O-N 3.32Å; I128-M131 PolarHBondContact O-N 2.93Å; V129-M131 PolarHBondContact O-N 3.31Å; M131-L133 VanDerWaalsContact C-N 3.29Å; M131-L133 PolarHBondContact O-N 3.22Å; M131-K134 PolarHBondContact O-N 3.26Å; M131-Q135 CarbonylContact O-C 3.59Å; M131-Q135 WeakPolarHBondContact O-CA 3.23Å; M131-Q135 PolarHBondContact O-N 3.33Å; M131-E138 HydrophobicContact CE-CB 4.5Å; M131-W139 HydrophobicContact CB-CZ2 4.18Å
132	T	91.8	Very high	91.5	Very high	66 Å²	66	60.5 Å²	60.5	41%	0.405	33%	0.326	S	S	.	.	H	α-helix	trans	-63.6	-33.5	-179.7	-58.1	0	0	0	0	113	I128 V129 W139	I128-T132 WeakPolarHBondContact O-CB 2.96Å; I128-T132 PolarHBondContact O-N 3Å; I128-T132 PolarHBondContact O-OG1 3.16Å; V129-T132 PolarHBondContact O-N 3.07Å; T132-W139 PolarHBondContact OG1-NE1 2.87Å
133	L	91.8	Very high	91.5	Very high	132 Å²	132	58.9 Å²	58.9	69%	0.691	32%	0.318	S	S	*	.	H	α-helix	trans	-86.1	-27.3	-178.6	-67.5	179.6	0	0	0	113.9	V129 V130 M131	V129-L133 HydrophobicContact CG1-CD1 3.64Å; V129-L133 HydrophobicContact CG1-CG 4.27Å; V129-L133 WeakPolarHBondContact O-CB 3.2Å; V129-L133 VanDerWaalsContact O-CG 3.25Å; V129-L133 WeakPolarHBondContact O-CG 3.28Å; V129-L133 PolarHBondContact O-N 3.05Å; V130-L133 PolarHBondContact O-N 3.47Å; M131-L133 VanDerWaalsContact C-N 3.29Å; M131-L133 PolarHBondContact O-N 3.22Å
134	K	89.2	Confident	91.5	Very high	131 Å²	131	56 Å²	56	57%	0.57	30%	0.303	S	S	*	.	H	α-helix	trans	-107.1	-26.6	-174.5	-64	-61.8	-173	176.9	0	113.9	L64 V130 M131	L64-K134 HydrophobicContact CD2-CB 3.88Å; V130-K134 HydrophobicContact CG1-CG 4.46Å; V130-K134 VanDerWaalsContact O-CB 3.28Å; V130-K134 WeakPolarHBondContact O-CB 3.49Å; V130-K134 WeakPolarHBondContact O-CG 3.28Å; V130-K134 PolarHBondContact O-N 3.06Å; M131-K134 PolarHBondContact O-N 3.26Å
135	Q	86.9	Confident	91.6	Very high	27 Å²	27	55.7 Å²	55.7	13%	0.126	30%	0.301	C	S	.	.			trans	-147.1	59.8	-172.5	-72.9	-173.2	-53	0	0	110.4	L64 M131 E137 E138	L64-Q135 HydrophobicContact CD2-CG 4.16Å; M131-Q135 CarbonylContact O-C 3.59Å; M131-Q135 WeakPolarHBondContact O-CA 3.23Å; M131-Q135 PolarHBondContact O-N 3.33Å; Q135-E137 PolarHBondContact O-N 3.07Å; Q135-E138 HydrophobicContact CB-CB 4.46Å; Q135-E138 HydrophobicContact CB-CG 3.8Å; Q135-E138 HydrophobicContact CG-CG 4.48Å; Q135-E138 PolarHBondContact O-N 2.98Å
136	P	89.5	Confident	91.6	Very high	72 Å²	72	55.7 Å²	55.7	47%	0.468	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	-62.7	-31.6	-174.4	25.7	-34.4	0	0	0	113	E138 W139	P136-E138 VanDerWaalsContact C-N 3.29Å; P136-E138 PolarHBondContact O-N 2.75Å; P136-W139 WeakPolarHBondContact O-CB 3.36Å; P136-W139 PolarHBondContact O-N 3.22Å
137	E	86.1	Confident	91.7	Very high	107 Å²	107	56.3 Å²	56.3	50%	0.5	29%	0.293	S	S	.	.	G	3₁₀ helix	trans	-67.8	-23.9	-179.3	38.7	-171.6	129.6	0	0	113.5	Q135 W139 H140 K418	Q135-E137 PolarHBondContact O-N 3.07Å; E137-W139 PolarHBondContact O-N 3.45Å; E137-H140 PolarHBondContact O-CD2 2.63Å; E137-H140 PolarHBondContact O-N 3.49Å; E137-K418 IonicContact OE2-NZ 2.82Å; E137-K418 PolarHBondContact OE2-NZ 2.95Å
138	E	87.4	Confident	91.9	Very high	8 Å²	8	55.4 Å²	55.4	4%	0.037	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-69	-17.5	176.3	-58.2	-51.4	134	0	0	112.6	D57 M131 Q135 P136 H140 I141 K418 Y419	D57-E138 WeakPolarHBondContact CB-OE2 3.35Å; M131-E138 HydrophobicContact CE-CB 4.5Å; Q135-E138 HydrophobicContact CB-CB 4.46Å; Q135-E138 HydrophobicContact CB-CG 3.8Å; Q135-E138 HydrophobicContact CG-CG 4.48Å; Q135-E138 PolarHBondContact O-N 2.98Å; P136-E138 VanDerWaalsContact C-N 3.29Å; P136-E138 PolarHBondContact O-N 2.75Å; E138-H140 PolarHBondContact O-N 2.85Å; E138-I141 WeakPolarHBondContact O-CG2 3.46Å; E138-I141 PolarHBondContact O-N 3.04Å; E138-K418 IonicContact OE1-NZ 3.16Å; E138-K418 PolarHBondContact OE1-NZ 2.87Å; E138-Y419 PolarHBondContact OE2-OH 2.88Å
139	W	90.8	Very high	92	Very high	63 Å²	63	54.1 Å²	54.1	24%	0.239	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-65.4	-21.3	176.1	-75	106.9	0	0	0	113.4	W47 I50 I128 M131 T132 P136 E137 I141 V142 P143	W47-W139 HydrophobicContact CZ3-CH2 4.28Å; I50-W139 HydrophobicContact CD1-CZ3 4.45Å; I50-W139 HydrophobicContact CG2-CZ3 4.11Å; I128-W139 HydrophobicContact CG1-CH2 4.27Å; I128-W139 HydrophobicContact CG2-CH2 4.34Å; I128-W139 HydrophobicContact CG2-CZ2 4.05Å; M131-W139 HydrophobicContact CB-CZ2 4.18Å; T132-W139 PolarHBondContact OG1-NE1 2.87Å; P136-W139 WeakPolarHBondContact O-CB 3.36Å; P136-W139 PolarHBondContact O-N 3.22Å; E137-W139 PolarHBondContact O-N 3.45Å; W139-I141 PolarHBondContact O-N 2.06Å; W139-V142 HydrophobicContact CE3-CG2 4.23Å; W139-V142 PolarHBondContact O-N 3.11Å; W139-P143 VanDerWaalsContact O-CD 3.29Å; W139-P143 WeakPolarHBondContact O-CD 3.34Å
140	H	92.2	Very high	92.1	Very high	101 Å²	101	51.6 Å²	51.6	47%	0.468	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-66	-19.6	178.5	-65.6	-64.2	0	0	0	112.9	E137 E138 V142 P143 L144	E137-H140 PolarHBondContact O-CD2 2.63Å; E137-H140 PolarHBondContact O-N 3.49Å; E138-H140 PolarHBondContact O-N 2.85Å; H140-V142 PolarHBondContact O-N 3.27Å; H140-P143 WeakPolarHBondContact O-CD 3.29Å; H140-P143 VanDerWaalsContact O-CG 3.24Å; H140-P143 WeakPolarHBondContact O-CG 3.47Å; H140-L144 WeakPolarHBondContact O-CD1 3.41Å; H140-L144 PolarHBondContact O-N 3.28Å
141	I	94.1	Very high	92.3	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-64.4	-29.4	175.5	-156.1	171.9	0	0	0	113	V53 I54 N56 D57 E138 W139 L144 S145 Y419 W446 M447	V53-I141 HydrophobicContact CG1-CB 4.18Å; V53-I141 HydrophobicContact CG1-CD1 3.99Å; V53-I141 HydrophobicContact CG1-CG1 3.64Å; V53-I141 HydrophobicContact CG1-CG2 3.73Å; V53-I141 WeakPolarHBondContact O-CD1 3.08Å; I54-I141 HydrophobicContact CG1-CG2 3.89Å; N56-I141 HydrophobicContact CB-CD1 3.61Å; D57-I141 WeakPolarHBondContact OD2-CD1 3.25Å; E138-I141 WeakPolarHBondContact O-CG2 3.46Å; E138-I141 PolarHBondContact O-N 3.04Å; W139-I141 PolarHBondContact O-N 2.06Å; I141-L144 WeakPolarHBondContact O-CB 3.5Å; I141-L144 PolarHBondContact O-N 2.98Å; I141-S145 WeakPolarHBondContact O-CB 3.28Å; I141-S145 PolarHBondContact O-N 3.02Å; I141-Y419 HydrophobicContact CB-CE2 4.19Å; I141-Y419 HydrophobicContact CD1-CE2 4.43Å; I141-Y419 HydrophobicContact CG1-CE2 4.05Å; I141-W446 HydrophobicContact CD1-CH2 4.27Å; I141-W446 HydrophobicContact CD1-CZ2 4Å; I141-W446 HydrophobicContact CG1-CH2 3.82Å; I141-W446 HydrophobicContact CG1-CZ2 4.04Å; I141-M447 HydrophobicContact CD1-CE 4.04Å; I141-M447 HydrophobicContact CG1-CE 3.62Å
142	V	94.3	Very high	92.6	Very high	26 Å²	26	53.2 Å²	53.2	16%	0.158	27%	0.272	C	S	.	.	H	α-helix	trans	-64.8	-55.4	-178	179.7	0	0	0	0	111.4	I50 W139 H140 L144 S145 L146	I50-V142 HydrophobicContact CG1-CG2 4.25Å; I50-V142 HydrophobicContact CG2-CG2 4.2Å; W139-V142 HydrophobicContact CE3-CG2 4.23Å; W139-V142 PolarHBondContact O-N 3.11Å; H140-V142 PolarHBondContact O-N 3.27Å; V142-L144 VanDerWaalsContact C-N 3.3Å; V142-L144 PolarHBondContact O-N 2.97Å; V142-S145 PolarHBondContact O-N 2.86Å; V142-S145 PolarHBondContact O-OG 2.8Å; V142-L146 WeakPolarHBondContact O-CG 3.47Å; V142-L146 PolarHBondContact O-N 2.8Å; V142-L146 VanDerWaalsContact O-N 3.09Å
143	P	94.2	Very high	92.7	Very high	65 Å²	65	54.3 Å²	54.3	42%	0.422	28%	0.275	S	S	.	.	H	α-helix	trans	-61.5	-36.1	175.9	22	-31.9	0	0	0	112.9	W139 H140 S145 L146 Q147	W139-P143 VanDerWaalsContact O-CD 3.29Å; W139-P143 WeakPolarHBondContact O-CD 3.34Å; H140-P143 WeakPolarHBondContact O-CD 3.29Å; H140-P143 VanDerWaalsContact O-CG 3.24Å; H140-P143 WeakPolarHBondContact O-CG 3.47Å; P143-S145 PolarHBondContact O-N 2.96Å; P143-L146 PolarHBondContact O-N 3.14Å; P143-Q147 PolarHBondContact O-N 2.96Å; P143-Q147 VanDerWaalsContact O-N 3.08Å
144	L	94.8	Very high	92.8	Very high	22 Å²	22	48.4 Å²	48.4	12%	0.115	24%	0.244	C	C	.	.	H	α-helix	trans	-57.8	-47.2	172.3	-88	153.4	0	0	0	112.1	H140 I141 V142 L146 Q147 Y148 Y419 M447 L450	H140-L144 WeakPolarHBondContact O-CD1 3.41Å; H140-L144 PolarHBondContact O-N 3.28Å; I141-L144 WeakPolarHBondContact O-CB 3.5Å; I141-L144 PolarHBondContact O-N 2.98Å; V142-L144 VanDerWaalsContact C-N 3.3Å; V142-L144 PolarHBondContact O-N 2.97Å; L144-L146 PolarHBondContact O-N 3.31Å; L144-Q147 WeakPolarHBondContact O-CB 3.38Å; L144-Q147 PolarHBondContact O-N 2.94Å; L144-Q147 VanDerWaalsContact O-N 3.1Å; L144-Y148 PolarHBondContact O-N 3.11Å; L144-Y419 HydrophobicContact CD1-CD2 3.74Å; L144-Y419 HydrophobicContact CD1-CE2 3.93Å; L144-M447 HydrophobicContact CB-CE 4.33Å; L144-M447 HydrophobicContact CD1-CE 4.28Å; L144-M447 HydrophobicContact CD2-SD 4.4Å; L144-L450 HydrophobicContact CB-CD2 4.31Å; L144-L450 HydrophobicContact CD2-CD2 3.72Å; L144-L450 WeakPolarHBondContact O-CD2 3.22Å
145	S	96.2	Very high	93.1	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.007	23%	0.226	C	C	.	.	H	α-helix	trans	-61.4	-35.4	177.2	77.5	0	0	0	0	112.3	Y49 I141 V142 P143 Y148 T149	Y49-S145 WeakPolarHBondContact OH-CB 3.15Å; Y49-S145 PolarHBondContact OH-OG 3.3Å; I141-S145 WeakPolarHBondContact O-CB 3.28Å; I141-S145 PolarHBondContact O-N 3.02Å; V142-S145 PolarHBondContact O-N 2.86Å; V142-S145 PolarHBondContact O-OG 2.8Å; P143-S145 PolarHBondContact O-N 2.96Å; S145-Y148 CarbonylContact O-C 3.54Å; S145-Y148 WeakPolarHBondContact O-CB 3.19Å; S145-Y148 PolarHBondContact O-N 3.35Å; S145-Y148 VanDerWaalsContact O-N 3.1Å; S145-T149 WeakPolarHBondContact O-CG2 3.22Å; S145-T149 PolarHBondContact O-N 3.17Å; S145-T149 PolarHBondContact O-OG1 3.18Å
146	L	95.1	Very high	93.6	Very high	76 Å²	76	45.3 Å²	45.3	40%	0.398	24%	0.243	S	C	.	.	H	α-helix	trans	-68.6	-34.5	176.4	-67.9	174.2	0	0	0	111.5	Y49 V142 P143 L144 Y148 T149 A150 L153	Y49-L146 HydrophobicContact CE1-CD2 4.33Å; V142-L146 WeakPolarHBondContact O-CG 3.47Å; V142-L146 PolarHBondContact O-N 2.8Å; V142-L146 VanDerWaalsContact O-N 3.09Å; P143-L146 PolarHBondContact O-N 3.14Å; L144-L146 PolarHBondContact O-N 3.31Å; L146-Y148 PolarHBondContact O-N 2.96Å; L146-T149 PolarHBondContact O-N 2.97Å; L146-A150 WeakPolarHBondContact O-CA 3.12Å; L146-A150 WeakPolarHBondContact O-CB 3.11Å; L146-A150 PolarHBondContact O-N 2.96Å; L146-L153 HydrophobicContact CD2-CD1 3.88Å
147	Q	95.1	Very high	93.8	Very high	62 Å²	62	43.6 Å²	43.6	29%	0.29	24%	0.235	S	C	.	.	H	α-helix	trans	-60	-30.9	171	-62.7	-178.2	27.7	0	0	111.7	P143 L144 H202 S203 L450	P143-Q147 PolarHBondContact O-N 2.96Å; P143-Q147 VanDerWaalsContact O-N 3.08Å; L144-Q147 WeakPolarHBondContact O-CB 3.38Å; L144-Q147 PolarHBondContact O-N 2.94Å; L144-Q147 VanDerWaalsContact O-N 3.1Å; Q147-H202 WeakPolarHBondContact CB-O 3.49Å; Q147-H202 WeakPolarHBondContact CG-O 3.31Å; Q147-S203 WeakPolarHBondContact O-CB 3.29Å; Q147-S203 PolarHBondContact O-OG 2.86Å; Q147-L450 HydrophobicContact CB-CD1 4.26Å
148	Y	95.9	Very high	94.4	Very high	17 Å²	17	38.6 Å²	38.6	7%	0.067	21%	0.211	C	C	.	.	H	α-helix	trans	-84.6	-40.3	176.9	-168.2	-100.3	0	0	0	113.5	L144 S145 L146 W446 L450 D474 W475	L144-Y148 PolarHBondContact O-N 3.11Å; S145-Y148 CarbonylContact O-C 3.54Å; S145-Y148 WeakPolarHBondContact O-CB 3.19Å; S145-Y148 PolarHBondContact O-N 3.35Å; S145-Y148 VanDerWaalsContact O-N 3.1Å; L146-Y148 PolarHBondContact O-N 2.96Å; Y148-W446 HydrophobicContact CD1-CB 3.78Å; Y148-W446 HydrophobicContact CD1-CE3 4.41Å; Y148-W446 HydrophobicContact CE1-CB 3.43Å; Y148-W446 VanDerWaalsContact CE1-CB 3.43Å; Y148-W446 WeakPolarHBondContact CE2-O 3.37Å; Y148-W446 HydrophobicContact CG-CB 4.46Å; Y148-W446 HydrophobicContact CG-CE3 4.3Å; Y148-L450 HydrophobicContact CD2-CB 3.94Å; Y148-L450 HydrophobicContact CD2-CD1 4.16Å; Y148-D474 WeakPolarHBondContact OH-CB 3.44Å; Y148-W475 AromaticContact CD1-NE1 3.77Å; Y148-W475 HydrophobicContact CD2-CZ2 4.15Å; Y148-W475 AromaticContact CD2-NE1 3.67Å; Y148-W475 AromaticContact CE1-CD1 3.85Å; Y148-W475 AromaticContact CE1-NE1 3.29Å; Y148-W475 VanDerWaalsContact CE1-NE1 3.29Å; Y148-W475 AromaticContact CE2-CD1 3.83Å; Y148-W475 AromaticContact CE2-CE2 3.93Å; Y148-W475 HydrophobicContact CE2-CZ2 4.36Å; Y148-W475 AromaticContact CE2-NE1 3.17Å; Y148-W475 HydrophobicContact CG-CZ2 4.47Å; Y148-W475 AromaticContact CG-NE1 3.97Å; Y148-W475 AromaticContact CZ-CD1 3.38Å; Y148-W475 AromaticContact CZ-NE1 3.01Å; Y148-W475 WeakPolarHBondContact O-CZ2 3.31Å; Y148-W475 VanDerWaalsContact OH-CD1 3.24Å; Y148-W475 PolarHBondContact OH-NE1 3.03Å
149	T	95.6	Very high	94.8	Very high	32 Å²	32	39.7 Å²	39.7	20%	0.196	23%	0.225	C	C	.	.	H	α-helix	trans	-97.6	-19.5	-170.1	61.9	0	0	0	0	114	Y49 S145 L146 P151 F152 L153	Y49-T149 HydrophobicContact CE2-CG2 4.49Å; Y49-T149 PolarHBondContact OH-OG1 2.89Å; S145-T149 WeakPolarHBondContact O-CG2 3.22Å; S145-T149 PolarHBondContact O-N 3.17Å; S145-T149 PolarHBondContact O-OG1 3.18Å; L146-T149 PolarHBondContact O-N 2.97Å; T149-P151 VanDerWaalsContact C-CD 3.5Å; T149-F152 PolarHBondContact O-N 3.47Å; T149-L153 PolarHBondContact O-N 3.36Å; T149-L153 WeakPolarHBondContact OG1-CD1 3.29Å
150	A	94.5	Very high	94.9	Very high	19 Å²	19	39 Å²	39	16%	0.157	23%	0.233	C	C	.	.	H	α-helix	trans	-55.2	-41.2	-172	0	0	0	0	0	115	L146 F152 L153 Q154 I201	L146-A150 WeakPolarHBondContact O-CA 3.12Å; L146-A150 WeakPolarHBondContact O-CB 3.11Å; L146-A150 PolarHBondContact O-N 2.96Å; A150-F152 PolarHBondContact O-N 2.9Å; A150-L153 PolarHBondContact O-N 3.49Å; A150-Q154 WeakPolarHBondContact O-CB 3.42Å; A150-Q154 PolarHBondContact O-N 3.24Å; A150-I201 HydrophobicContact CB-CD1 3.82Å; A150-I201 HydrophobicContact CB-CG1 3.87Å; A150-I201 HydrophobicContact CB-CG2 4.01Å
151	P	93.7	Very high	95.1	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-53.7	-41	175	-28.6	36.5	0	0	0	113	T149 F155 I201 W475 Y482	T149-P151 VanDerWaalsContact C-CD 3.5Å; P151-F155 WeakPolarHBondContact O-CD2 3.46Å; P151-F155 PolarHBondContact O-N 3.39Å; P151-I201 HydrophobicContact CG-CG2 3.97Å; P151-W475 HydrophobicContact CG-CH2 4.04Å; P151-Y482 HydrophobicContact CB-CD2 4.36Å; P151-Y482 HydrophobicContact CB-CE2 3.72Å; P151-Y482 HydrophobicContact CG-CE2 4.45Å
152	F	94.7	Very high	95.2	Very high	91 Å²	91	35.6 Å²	35.6	40%	0.399	22%	0.219	S	C	.	.	H	α-helix	trans	-79.8	-37.7	-179.9	-52.6	-75.8	0	0	0	112.5	T149 A150 Q154 F155 G156 W475	T149-F152 PolarHBondContact O-N 3.47Å; A150-F152 PolarHBondContact O-N 2.9Å; F152-Q154 PolarHBondContact O-N 3.33Å; F152-F155 PolarHBondContact O-N 2.86Å; F152-G156 PolarHBondContact O-N 3.44Å; F152-W475 AromaticContact CE2-CD1 3.93Å; F152-W475 AromaticContact CE2-CD2 3.69Å; F152-W475 HydrophobicContact CE2-CD2 3.69Å; F152-W475 AromaticContact CE2-CE2 3.46Å; F152-W475 VanDerWaalsContact CE2-CE2 3.46Å; F152-W475 HydrophobicContact CE2-CE3 4.26Å; F152-W475 HydrophobicContact CE2-CG 4.04Å; F152-W475 HydrophobicContact CE2-CH2 4.44Å; F152-W475 AromaticContact CE2-CZ2 3.9Å; F152-W475 HydrophobicContact CE2-CZ2 3.9Å; F152-W475 AromaticContact CE2-NE1 3.56Å; F152-W475 HydrophobicContact CZ-CB 4.47Å; F152-W475 AromaticContact CZ-CD2 3.59Å; F152-W475 HydrophobicContact CZ-CD2 3.59Å; F152-W475 AromaticContact CZ-CE2 3.9Å; F152-W475 AromaticContact CZ-CE3 3.96Å; F152-W475 HydrophobicContact CZ-CE3 3.96Å; F152-W475 AromaticContact CZ-CG 3.78Å; F152-W475 HydrophobicContact CZ-CG 3.78Å
153	L	94.1	Very high	95	Very high	89 Å²	89	41 Å²	41	47%	0.466	25%	0.246	S	C	.	.	H	α-helix	trans	-60.7	-37	174.6	-68.9	176.8	0	0	0	111.1	L146 T149 A150 G156 A157	L146-L153 HydrophobicContact CD2-CD1 3.88Å; T149-L153 PolarHBondContact O-N 3.36Å; T149-L153 WeakPolarHBondContact OG1-CD1 3.29Å; A150-L153 PolarHBondContact O-N 3.49Å; L153-G156 PolarHBondContact O-N 3.04Å; L153-A157 WeakPolarHBondContact O-CB 3.42Å; L153-A157 PolarHBondContact O-N 2.91Å
154	Q	95.1	Very high	94.8	Very high	7 Å²	7	42.2 Å²	42.2	3%	0.033	25%	0.248	C	C	.	.	H	α-helix	trans	-63.4	-49.7	174.8	-176.4	-88.7	-15.7	0	0	111.8	A150 F152 G156 A157 V158 S197 P198 I201 D490	A150-Q154 WeakPolarHBondContact O-CB 3.42Å; A150-Q154 PolarHBondContact O-N 3.24Å; F152-Q154 PolarHBondContact O-N 3.33Å; Q154-G156 VanDerWaalsContact C-N 3.29Å; Q154-G156 PolarHBondContact O-N 3.07Å; Q154-A157 WeakPolarHBondContact O-CB 3.12Å; Q154-A157 PolarHBondContact O-N 2.73Å; Q154-A157 VanDerWaalsContact O-N 3.1Å; Q154-V158 VanDerWaalsContact NE2-CG2 3.34Å; Q154-V158 WeakPolarHBondContact O-CG2 3.23Å; Q154-V158 PolarHBondContact O-N 3.11Å; Q154-S197 WeakPolarHBondContact CG-OG 3.37Å; Q154-P198 HydrophobicContact CG-CG 3.68Å; Q154-I201 HydrophobicContact CB-CD1 4.07Å; Q154-D490 PolarHBondContact NE2-OD1 2.56Å
155	F	95.9	Very high	94.7	Very high	47 Å²	47	41.2 Å²	41.2	21%	0.206	24%	0.243	C	C	.	.	H	α-helix	trans	-60.2	-40.6	176.4	-63.3	-39.8	0	0	0	112	P151 F152 V158 G159 Y482 L485 W486 V489	P151-F155 WeakPolarHBondContact O-CD2 3.46Å; P151-F155 PolarHBondContact O-N 3.39Å; F152-F155 PolarHBondContact O-N 2.86Å; F155-V158 PolarHBondContact O-N 3.45Å; F155-G159 PolarHBondContact O-N 2.84Å; F155-Y482 HydrophobicContact CE2-CE2 4.31Å; F155-Y482 HydrophobicContact CZ-CD2 4.05Å; F155-Y482 AromaticContact CZ-CE2 3.83Å; F155-Y482 HydrophobicContact CZ-CE2 3.83Å; F155-L485 HydrophobicContact CZ-CB 4.03Å; F155-W486 HydrophobicContact CE1-CB 4.49Å; F155-V489 HydrophobicContact CD1-CB 4.4Å; F155-V489 HydrophobicContact CD1-CG1 4.2Å; F155-V489 HydrophobicContact CD1-CG2 4.33Å; F155-V489 HydrophobicContact CE1-CG2 4.43Å
156	G	95.3	Very high	94.4	Very high	46 Å²	46	46.2 Å²	46.2	47%	0.474	26%	0.262	S	S	.	.	H	α-helix	trans	-60.1	-43.3	173.4	0	0	0	0	0	112.6	F152 L153 Q154 G159 A160	F152-G156 PolarHBondContact O-N 3.44Å; L153-G156 PolarHBondContact O-N 3.04Å; Q154-G156 VanDerWaalsContact C-N 3.29Å; Q154-G156 PolarHBondContact O-N 3.07Å; G156-G159 PolarHBondContact O-N 2.83Å; G156-A160 WeakPolarHBondContact O-CB 3.35Å; G156-A160 PolarHBondContact O-N 3.17Å
157	A	95.4	Very high	94	Very high	36 Å²	36	45 Å²	45	30%	0.298	26%	0.256	S	S	.	.	H	α-helix	trans	-64.7	-41.4	177.7	0	0	0	0	0	112.2	L153 Q154 A160 L161 I194	L153-A157 WeakPolarHBondContact O-CB 3.42Å; L153-A157 PolarHBondContact O-N 2.91Å; Q154-A157 WeakPolarHBondContact O-CB 3.12Å; Q154-A157 PolarHBondContact O-N 2.73Å; Q154-A157 VanDerWaalsContact O-N 3.1Å; A157-A160 PolarHBondContact O-N 2.86Å; A157-L161 VanDerWaalsContact O-CB 3.3Å; A157-L161 WeakPolarHBondContact O-CB 3.49Å; A157-L161 PolarHBondContact O-N 2.95Å; A157-I194 HydrophobicContact CB-CD1 4.38Å; A157-I194 HydrophobicContact CB-CG1 4.39Å; A157-I194 HydrophobicContact CB-CG2 3.89Å
158	V	97.8	Very high	93.6	Very high	2 Å²	2	43.9 Å²	43.9	1%	0.012	25%	0.253	C	S	.	.	H	α-helix	trans	-62.7	-43.6	173.6	173.6	0	0	0	0	111.1	Q154 F155 L161 T162 I194 Y195 V489 D490 S493	Q154-V158 VanDerWaalsContact NE2-CG2 3.34Å; Q154-V158 WeakPolarHBondContact O-CG2 3.23Å; Q154-V158 PolarHBondContact O-N 3.11Å; F155-V158 PolarHBondContact O-N 3.45Å; V158-L161 PolarHBondContact O-N 2.81Å; V158-T162 WeakPolarHBondContact O-CB 3.41Å; V158-T162 PolarHBondContact O-N 3.16Å; V158-T162 PolarHBondContact O-OG1 3.48Å; V158-I194 HydrophobicContact CG2-CG2 3.59Å; V158-Y195 HydrophobicContact CB-CE1 4.5Å; V158-Y195 HydrophobicContact CG1-CE1 3.92Å; V158-Y195 HydrophobicContact CG2-CD1 3.93Å; V158-Y195 HydrophobicContact CG2-CE1 3.93Å; V158-V489 HydrophobicContact CB-CG1 4.26Å; V158-V489 HydrophobicContact CG1-CG1 3.79Å; V158-D490 WeakPolarHBondContact CG2-OD1 3.36Å; V158-S493 VanDerWaalsContact CG1-CB 3.49Å
159	G	96.6	Very high	93.4	Very high	32 Å²	32	44.1 Å²	44.1	33%	0.33	26%	0.255	S	S	.	.	H	α-helix	trans	-58.4	-49	174.6	0	0	0	0	0	112.2	F155 G156 T162 L163	F155-G159 PolarHBondContact O-N 2.84Å; G156-G159 PolarHBondContact O-N 2.83Å; G159-T162 PolarHBondContact O-N 3.32Å; G159-L163 WeakPolarHBondContact O-CG 3.39Å; G159-L163 PolarHBondContact O-N 2.97Å
160	A	92.3	Very high	92.8	Very high	47 Å²	47	46 Å²	46	39%	0.388	26%	0.258	S	S	.	.	H	α-helix	trans	-61.6	-45.5	177.7	0	0	0	0	0	112.2	G156 A157 T162 L163 L164	G156-A160 WeakPolarHBondContact O-CB 3.35Å; G156-A160 PolarHBondContact O-N 3.17Å; A157-A160 PolarHBondContact O-N 2.86Å; A160-T162 VanDerWaalsContact C-N 3.32Å; A160-T162 PolarHBondContact O-N 2.88Å; A160-L163 PolarHBondContact O-N 2.93Å; A160-L164 WeakPolarHBondContact O-CB 3.27Å; A160-L164 VanDerWaalsContact O-CG 3.25Å; A160-L164 WeakPolarHBondContact O-CG 3.17Å; A160-L164 PolarHBondContact O-N 2.92Å
161	L	95.6	Very high	92.2	Very high	10 Å²	10	48.2 Å²	48.2	5%	0.052	27%	0.27	C	S	.	.	H	α-helix	trans	-56.9	-46.5	175.5	-179.3	70.5	0	0	0	111.2	A157 V158 L164 S165 F187 L190 I194 Y195 M497	A157-L161 VanDerWaalsContact O-CB 3.3Å; A157-L161 WeakPolarHBondContact O-CB 3.49Å; A157-L161 PolarHBondContact O-N 2.95Å; V158-L161 PolarHBondContact O-N 2.81Å; L161-L164 PolarHBondContact O-N 3.38Å; L161-S165 WeakPolarHBondContact O-CB 3.37Å; L161-S165 PolarHBondContact O-N 3.24Å; L161-F187 HydrophobicContact CD1-CD2 4.24Å; L161-F187 HydrophobicContact CD1-CE2 3.53Å; L161-F187 HydrophobicContact CD1-CZ 3.99Å; L161-F187 HydrophobicContact CG-CE2 4.41Å; L161-F187 HydrophobicContact CG-CZ 4.45Å; L161-L190 HydrophobicContact CD1-CD2 4.48Å; L161-I194 HydrophobicContact CB-CD1 4.25Å; L161-I194 HydrophobicContact CD1-CD1 4.35Å; L161-I194 HydrophobicContact CD2-CD1 4.23Å; L161-Y195 HydrophobicContact CD2-CE1 4.22Å; L161-Y195 HydrophobicContact CD2-CE2 4.38Å; L161-M497 HydrophobicContact CG-SD 4.49Å
162	T	96.3	Very high	91.8	Very high	20 Å²	20	50.6 Å²	50.6	12%	0.123	28%	0.28	C	S	.	.	H	α-helix	trans	-61.9	-46.8	179.6	-51.1	0	0	0	0	111.4	V158 G159 A160 S165 S493 I496 M497	V158-T162 WeakPolarHBondContact O-CB 3.41Å; V158-T162 PolarHBondContact O-N 3.16Å; V158-T162 PolarHBondContact O-OG1 3.48Å; G159-T162 PolarHBondContact O-N 3.32Å; A160-T162 VanDerWaalsContact C-N 3.32Å; A160-T162 PolarHBondContact O-N 2.88Å; T162-S165 WeakPolarHBondContact O-CB 3.43Å; T162-S165 PolarHBondContact O-N 3.13Å; T162-S165 PolarHBondContact O-OG 2.91Å; T162-S493 WeakPolarHBondContact OG1-CB 3.35Å; T162-S493 PolarHBondContact OG1-OG 3.44Å; T162-I496 HydrophobicContact CG2-CB 4.04Å; T162-I496 HydrophobicContact CG2-CD1 4.41Å; T162-I496 HydrophobicContact CG2-CG2 3.68Å; T162-M497 HydrophobicContact CG2-CG 4.28Å
163	L	91.7	Very high	91.2	Very high	140 Å²	140	47.5 Å²	47.5	73%	0.733	27%	0.268	S	S	*	.	H	α-helix	trans	-65.3	-41.7	179.7	-71.2	170.6	0	0	0	112.2	G159 A160 S165	G159-L163 WeakPolarHBondContact O-CG 3.39Å; G159-L163 PolarHBondContact O-N 2.97Å; A160-L163 PolarHBondContact O-N 2.93Å; L163-S165 VanDerWaalsContact C-N 3.32Å
164	L	88.9	Confident	90.4	Very high	90 Å²	90	48.9 Å²	48.9	47%	0.471	27%	0.272	S	S	.	.	H	α-helix	trans	-77.7	-17.6	-178.3	-65.8	173.5	0	0	0	113	A160 L161 W166 L167 V168	A160-L164 WeakPolarHBondContact O-CB 3.27Å; A160-L164 VanDerWaalsContact O-CG 3.25Å; A160-L164 WeakPolarHBondContact O-CG 3.17Å; A160-L164 PolarHBondContact O-N 2.92Å; L161-L164 PolarHBondContact O-N 3.38Å; L164-W166 PolarHBondContact O-N 2.81Å; L164-L167 HydrophobicContact CD2-CD1 4.14Å; L164-L167 WeakPolarHBondContact O-CB 3.32Å; L164-L167 PolarHBondContact O-N 2.76Å; L164-V168 PolarHBondContact O-N 2.68Å
165	S	93.5	Very high	89.7	Confident	1 Å²	1	50.8 Å²	50.8	1%	0.007	28%	0.284	C	S	.	.	H	α-helix	trans	-53.5	-38.6	179.8	73.5	0	0	0	0	113.2	L161 T162 L163 L167 V168 F169 M497	L161-S165 WeakPolarHBondContact O-CB 3.37Å; L161-S165 PolarHBondContact O-N 3.24Å; T162-S165 WeakPolarHBondContact O-CB 3.43Å; T162-S165 PolarHBondContact O-N 3.13Å; T162-S165 PolarHBondContact O-OG 2.91Å; L163-S165 VanDerWaalsContact C-N 3.32Å; S165-L167 VanDerWaalsContact C-N 3.29Å; S165-L167 PolarHBondContact O-N 3.42Å; S165-V168 PolarHBondContact O-N 3.34Å; S165-V168 VanDerWaalsContact O-N 3.16Å; S165-F169 VanDerWaalsContact O-CD2 3.26Å; S165-F169 WeakPolarHBondContact O-CD2 3.42Å; S165-F169 WeakPolarHBondContact O-CG 3.33Å; S165-F169 PolarHBondContact O-N 3.49Å; S165-M497 VanDerWaalsContact CB-SD 3.54Å
166	W	90	Very high	89	Confident	106 Å²	106	56 Å²	56	40%	0.402	31%	0.309	S	S	.	.	H	α-helix	trans	-55.5	-44	176.2	156.5	-90.8	0	0	0	111.8	L164 R170 V500 Q504	L164-W166 PolarHBondContact O-N 2.81Å; W166-R170 WeakPolarHBondContact O-CB 3.14Å; W166-R170 PolarHBondContact O-N 2.76Å; W166-V500 HydrophobicContact CB-CG1 4Å; W166-V500 HydrophobicContact CE3-CG1 3.97Å; W166-Q504 HydrophobicContact CE3-CG 3.77Å; W166-Q504 HydrophobicContact CH2-CG 4.1Å; W166-Q504 HydrophobicContact CZ3-CG 3.37Å; W166-Q504 VanDerWaalsContact CZ3-NE2 3.27Å; W166-Q504 PolarHBondContact O-NE2 3.34Å
167	L	86.1	Confident	88.2	Confident	51 Å²	51	60.4 Å²	60.4	27%	0.267	32%	0.317	S	S	.	.	H	α-helix	trans	-68	-42.3	179.9	-65.1	175.1	0	0	0	110.7	L164 S165 R170 T171	L164-L167 HydrophobicContact CD2-CD1 4.14Å; L164-L167 WeakPolarHBondContact O-CB 3.32Å; L164-L167 PolarHBondContact O-N 2.76Å; S165-L167 VanDerWaalsContact C-N 3.29Å; S165-L167 PolarHBondContact O-N 3.42Å; L167-R170 PolarHBondContact O-N 2.88Å; L167-T171 PolarHBondContact O-N 2.9Å; L167-T171 PolarHBondContact O-OG1 3.43Å; L167-T171 VanDerWaalsContact O-OG1 3.04Å
168	V	87.6	Confident	87.3	Confident	39 Å²	39	67.5 Å²	67.5	24%	0.236	34%	0.341	C	S	.	.	H	α-helix	trans	-60.5	-48.9	177.2	179.7	0	0	0	0	110.7	L164 S165 R170 T171 F172 I183 F187	L164-V168 PolarHBondContact O-N 2.68Å; S165-V168 PolarHBondContact O-N 3.34Å; S165-V168 VanDerWaalsContact O-N 3.16Å; V168-R170 VanDerWaalsContact C-N 3.31Å; V168-R170 PolarHBondContact O-N 3.48Å; V168-T171 PolarHBondContact O-N 2.65Å; V168-F172 WeakPolarHBondContact O-CB 3.47Å; V168-F172 PolarHBondContact O-N 2.66Å; V168-I183 HydrophobicContact CG1-CG2 3.91Å; V168-F187 HydrophobicContact CB-CD2 4.23Å; V168-F187 HydrophobicContact CB-CE2 4.35Å; V168-F187 HydrophobicContact CG1-CB 4.18Å; V168-F187 HydrophobicContact CG1-CD2 3.82Å; V168-F187 HydrophobicContact CG1-CE2 4.37Å; V168-F187 HydrophobicContact CG1-CG 3.96Å; V168-F187 HydrophobicContact CG2-CD2 3.97Å; V168-F187 HydrophobicContact CG2-CE2 4.09Å
169	F	90.7	Very high	86.6	Confident	22 Å²	22	69.8 Å²	69.8	10%	0.096	36%	0.357	C	S	.	.	H	α-helix	trans	-65	-35.2	179.4	-58.8	-25.4	0	0	0	112.5	S165 F172 N173 F187 M497 V500 F501 Q504	S165-F169 VanDerWaalsContact O-CD2 3.26Å; S165-F169 WeakPolarHBondContact O-CD2 3.42Å; S165-F169 WeakPolarHBondContact O-CG 3.33Å; S165-F169 PolarHBondContact O-N 3.49Å; F169-F172 PolarHBondContact O-N 2.68Å; F169-N173 WeakPolarHBondContact O-CB 3.48Å; F169-N173 PolarHBondContact O-N 3.23Å; F169-N173 PolarHBondContact O-ND2 3.46Å; F169-F187 HydrophobicContact CE1-CD1 4.38Å; F169-F187 AromaticContact CE1-CE1 3.85Å; F169-F187 HydrophobicContact CE1-CE1 3.85Å; F169-F187 HydrophobicContact CE1-CZ 4.27Å; F169-F187 HydrophobicContact CZ-CE1 4.12Å; F169-F187 HydrophobicContact CZ-CZ 4.34Å; F169-M497 HydrophobicContact CE2-CB 4.09Å; F169-M497 VanDerWaalsContact CE2-O 3.26Å; F169-M497 WeakPolarHBondContact CE2-O 3.31Å; F169-M497 HydrophobicContact CZ-CB 4.04Å; F169-V500 HydrophobicContact CD2-CG1 4.11Å; F169-F501 HydrophobicContact CB-CD2 4.11Å; F169-F501 AromaticContact CD1-CD2 3.93Å; F169-F501 HydrophobicContact CD1-CD2 3.93Å; F169-F501 HydrophobicContact CD2-CB 3.84Å; F169-F501 HydrophobicContact CD2-CD2 4.21Å; F169-F501 HydrophobicContact CE1-CD2 4.45Å; F169-F501 HydrophobicContact CE2-CB 3.91Å; F169-F501 HydrophobicContact CG-CB 4.32Å; F169-F501 AromaticContact CG-CD2 3.82Å; F169-F501 HydrophobicContact CG-CD2 3.82Å; F169-F501 HydrophobicContact CZ-CB 4.41Å; F169-Q504 PolarHBondContact O-OE1 3.03Å
170	R	83.6	Confident	86.1	Confident	70 Å²	70	70.1 Å²	70.1	26%	0.264	35%	0.35	S	S	.	.	H	α-helix	trans	-63.8	-45.1	175.3	-172.3	179.6	-172.2	-159.7	3.2	110.9	W166 L167 V168 N173 Q174 Q504	W166-R170 WeakPolarHBondContact O-CB 3.14Å; W166-R170 PolarHBondContact O-N 2.76Å; L167-R170 PolarHBondContact O-N 2.88Å; V168-R170 VanDerWaalsContact C-N 3.31Å; V168-R170 PolarHBondContact O-N 3.48Å; R170-N173 PolarHBondContact O-N 2.73Å; R170-Q174 WeakPolarHBondContact O-CG 3.46Å; R170-Q504 VanDerWaalsContact N-OE1 3.1Å
171	T	81.6	Confident	85.9	Confident	67 Å²	67	75 Å²	75	41%	0.411	36%	0.362	S	S	.	.	H	α-helix	trans	-65.5	-45.9	176.7	-56.5	0	0	0	0	111.2	L167 V168 N173 Q174 V175 I183	L167-T171 PolarHBondContact O-N 2.9Å; L167-T171 PolarHBondContact O-OG1 3.43Å; L167-T171 VanDerWaalsContact O-OG1 3.04Å; V168-T171 PolarHBondContact O-N 2.65Å; T171-N173 PolarHBondContact O-N 3.22Å; T171-Q174 PolarHBondContact O-N 3.08Å; T171-V175 HydrophobicContact CG2-CG1 4.09Å; T171-V175 PolarHBondContact O-N 2.82Å; T171-I183 HydrophobicContact CG2-CD1 3.96Å
172	F	85.4	Confident	85.5	Confident	50 Å²	50	79.8 Å²	79.8	22%	0.219	39%	0.388	C	S	.	.	H	α-helix	trans	-53.6	-39.8	175.8	178.9	-92.2	0	0	0	112.1	V168 F169 Q174 K180 I183 A184 F501	V168-F172 WeakPolarHBondContact O-CB 3.47Å; V168-F172 PolarHBondContact O-N 2.66Å; F169-F172 PolarHBondContact O-N 2.68Å; F172-Q174 VanDerWaalsContact C-N 3.27Å; F172-Q174 PolarHBondContact O-N 2.85Å; F172-K180 HydrophobicContact CD2-CB 4.06Å; F172-K180 HydrophobicContact CD2-CG 4.27Å; F172-K180 HydrophobicContact CE2-CB 3.62Å; F172-K180 HydrophobicContact CE2-CD 4.43Å; F172-K180 HydrophobicContact CE2-CG 4.13Å; F172-K180 WeakPolarHBondContact CE2-O 3.34Å; F172-K180 HydrophobicContact CZ-CB 4.18Å; F172-K180 HydrophobicContact CZ-CD 4.26Å; F172-K180 HydrophobicContact CZ-CG 4.46Å; F172-K180 WeakPolarHBondContact O-CE 3.37Å; F172-I183 HydrophobicContact CB-CG2 4.44Å; F172-I183 HydrophobicContact CD2-CG2 4.47Å; F172-A184 HydrophobicContact CD2-CB 4.36Å; F172-A184 HydrophobicContact CE2-CB 3.88Å; F172-F501 HydrophobicContact CD1-CE2 4.23Å; F172-F501 HydrophobicContact CE1-CE2 4.33Å
173	N	81.4	Confident	85.1	Confident	26 Å²	26	80.9 Å²	80.9	14%	0.139	39%	0.392	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-12.1	178.1	-78	-43.8	0	0	0	114.5	F169 R170 T171 K508	F169-N173 WeakPolarHBondContact O-CB 3.48Å; F169-N173 PolarHBondContact O-N 3.23Å; F169-N173 PolarHBondContact O-ND2 3.46Å; R170-N173 PolarHBondContact O-N 2.73Å; T171-N173 PolarHBondContact O-N 3.22Å; N173-K508 HydrophobicContact CB-CD 4.45Å; N173-K508 PolarHBondContact O-NZ 2.98Å
174	Q	78.1	Confident	85	Confident	118 Å²	118	75.8 Å²	75.8	55%	0.551	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.3	-22.6	-173.9	-70.5	172.6	10.3	0	0	114.3	R170 T171 F172	R170-Q174 WeakPolarHBondContact O-CG 3.46Å; T171-Q174 PolarHBondContact O-N 3.08Å; F172-Q174 VanDerWaalsContact C-N 3.27Å; F172-Q174 PolarHBondContact O-N 2.85Å
175	V	81	Confident	85.1	Confident	46 Å²	46	72.9 Å²	72.9	28%	0.279	36%	0.359	S	S	.	.	S	Bend	trans	-85.8	166.4	-175.2	-65.5	0	0	0	0	114.1	T171 K180 I183	T171-V175 HydrophobicContact CG2-CG1 4.09Å; T171-V175 PolarHBondContact O-N 2.82Å; V175-K180 HydrophobicContact CG2-CG 3.7Å; V175-K180 WeakPolarHBondContact O-CE 3.04Å; V175-I183 HydrophobicContact CG1-CD1 4.18Å; V175-I183 HydrophobicContact CG2-CD1 3.74Å
176	Q	79.4	Confident	85	Confident	158 Å²	158	76.5 Å²	76.5	74%	0.738	38%	0.384	S	S	*	.			trans	-67.2	154.6	174.2	-65.3	-179.1	-7	0	0	112.3	K178 S179 K180	Q176-K178 PolarHBondContact O-N 3.2Å; Q176-S179 PolarHBondContact O-N 2.71Å; Q176-K180 PolarHBondContact O-N 2.75Å; Q176-K180 VanDerWaalsContact O-N 3.08Å
177	E	78.5	Confident	85.1	Confident	137 Å²	137	72.7 Å²	72.7	64%	0.64	37%	0.371	S	S	*	.	H	α-helix	trans	-53.3	-42.2	-174.2	-69.7	-57.9	142.1	0	0	114.5	S179 K180 F181	E177-S179 VanDerWaalsContact C-N 3.31Å; E177-S179 PolarHBondContact O-N 2.79Å; E177-K180 WeakPolarHBondContact O-CB 3.35Å; E177-K180 PolarHBondContact O-N 3.28Å; E177-K180 IonicContact OE1-NZ 2.68Å; E177-K180 PolarHBondContact OE1-NZ 3.3Å; E177-K180 IonicContact OE2-NZ 3.71Å; E177-F181 PolarHBondContact O-N 3.34Å
178	K	78.3	Confident	85.6	Confident	185 Å²	185	75.8 Å²	75.8	80%	0.804	39%	0.387	S	S	*	.	H	α-helix	trans	-62.1	-38	178	-67.2	-174.2	178.9	-177.3	0	112.5	Q176	Q176-K178 PolarHBondContact O-N 3.2Å
179	S	82.7	Confident	86	Confident	50 Å²	50	79.9 Å²	79.9	35%	0.35	41%	0.406	S	S	.	.	H	α-helix	trans	-76.6	-24.7	178	-55.1	0	0	0	0	112.6	Q176 E177 L182 I183	Q176-S179 PolarHBondContact O-N 2.71Å; E177-S179 VanDerWaalsContact C-N 3.31Å; E177-S179 PolarHBondContact O-N 2.79Å; S179-L182 PolarHBondContact O-N 3.31Å; S179-I183 WeakPolarHBondContact O-CG1 3.39Å; S179-I183 PolarHBondContact O-N 3Å
180	K	85.9	Confident	86.1	Confident	39 Å²	39	83 Å²	83	17%	0.17	42%	0.423	C	S	.	.	H	α-helix	trans	-62.8	-43.7	174.2	-70.5	-176	-171	170.3	0	111.8	F172 V175 Q176 E177 L182 I183 A184	F172-K180 HydrophobicContact CD2-CB 4.06Å; F172-K180 HydrophobicContact CD2-CG 4.27Å; F172-K180 HydrophobicContact CE2-CB 3.62Å; F172-K180 HydrophobicContact CE2-CD 4.43Å; F172-K180 HydrophobicContact CE2-CG 4.13Å; F172-K180 WeakPolarHBondContact CE2-O 3.34Å; F172-K180 HydrophobicContact CZ-CB 4.18Å; F172-K180 HydrophobicContact CZ-CD 4.26Å; F172-K180 HydrophobicContact CZ-CG 4.46Å; F172-K180 WeakPolarHBondContact O-CE 3.37Å; V175-K180 HydrophobicContact CG2-CG 3.7Å; V175-K180 WeakPolarHBondContact O-CE 3.04Å; Q176-K180 PolarHBondContact O-N 2.75Å; Q176-K180 VanDerWaalsContact O-N 3.08Å; E177-K180 WeakPolarHBondContact O-CB 3.35Å; E177-K180 PolarHBondContact O-N 3.28Å; E177-K180 IonicContact OE1-NZ 2.68Å; E177-K180 PolarHBondContact OE1-NZ 3.3Å; E177-K180 IonicContact OE2-NZ 3.71Å; K180-L182 VanDerWaalsContact C-N 3.34Å; K180-L182 PolarHBondContact O-N 3.13Å; K180-I183 PolarHBondContact O-N 3.21Å; K180-A184 WeakPolarHBondContact O-CB 3.47Å; K180-A184 PolarHBondContact O-N 3.32Å
181	F	87.9	Confident	86.8	Confident	150 Å²	150	80 Å²	80	66%	0.658	41%	0.413	S	S	*	.	H	α-helix	trans	-58.1	-48.2	177.1	178.2	-98.4	0	0	0	111.1	E177 A184 A185	E177-F181 PolarHBondContact O-N 3.34Å; F181-A184 PolarHBondContact O-N 3.12Å; F181-A185 VanDerWaalsContact O-CB 3.26Å; F181-A185 WeakPolarHBondContact O-CB 3.25Å; F181-A185 PolarHBondContact O-N 2.59Å
182	L	86.6	Confident	87.5	Confident	111 Å²	111	79 Å²	79	58%	0.581	41%	0.412	S	S	*	.	H	α-helix	trans	-61.3	-47.3	178.9	-67.8	173.2	0	0	0	112.3	S179 K180 A184 A185 S186	S179-L182 PolarHBondContact O-N 3.31Å; K180-L182 VanDerWaalsContact C-N 3.34Å; K180-L182 PolarHBondContact O-N 3.13Å; L182-A184 PolarHBondContact O-N 3.5Å; L182-A185 PolarHBondContact O-N 3.01Å; L182-S186 WeakPolarHBondContact O-CB 3.28Å; L182-S186 PolarHBondContact O-N 3.41Å; L182-S186 PolarHBondContact O-OG 3.02Å; L182-S186 VanDerWaalsContact O-OG 3.05Å
183	I	87.8	Confident	88	Confident	43 Å²	43	83 Å²	83	22%	0.221	43%	0.429	C	S	.	.	H	α-helix	trans	-62.1	-45	179	-68.1	169.7	0	0	0	111	V168 T171 F172 V175 S179 K180 F187	V168-I183 HydrophobicContact CG1-CG2 3.91Å; T171-I183 HydrophobicContact CG2-CD1 3.96Å; F172-I183 HydrophobicContact CB-CG2 4.44Å; F172-I183 HydrophobicContact CD2-CG2 4.47Å; V175-I183 HydrophobicContact CG1-CD1 4.18Å; V175-I183 HydrophobicContact CG2-CD1 3.74Å; S179-I183 WeakPolarHBondContact O-CG1 3.39Å; S179-I183 PolarHBondContact O-N 3Å; K180-I183 PolarHBondContact O-N 3.21Å; I183-F187 VanDerWaalsContact O-CB 3.28Å; I183-F187 WeakPolarHBondContact O-CB 3.32Å; I183-F187 PolarHBondContact O-N 3.13Å
184	A	89.6	Confident	88.7	Confident	32 Å²	32	82.7 Å²	82.7	26%	0.264	43%	0.427	S	S	.	.	H	α-helix	trans	-65.4	-46.1	179.1	0	0	0	0	0	111.8	F172 K180 F181 L182 F187 L188	F172-A184 HydrophobicContact CD2-CB 4.36Å; F172-A184 HydrophobicContact CE2-CB 3.88Å; K180-A184 WeakPolarHBondContact O-CB 3.47Å; K180-A184 PolarHBondContact O-N 3.32Å; F181-A184 PolarHBondContact O-N 3.12Å; L182-A184 PolarHBondContact O-N 3.5Å; A184-F187 PolarHBondContact O-N 3.41Å; A184-L188 WeakPolarHBondContact O-CB 3.42Å; A184-L188 VanDerWaalsContact O-CG 3.23Å; A184-L188 WeakPolarHBondContact O-CG 3.24Å; A184-L188 PolarHBondContact O-N 2.85Å
185	A	91.7	Very high	89.6	Confident	29 Å²	29	78.3 Å²	78.3	24%	0.24	41%	0.406	C	S	.	.	H	α-helix	trans	-60.1	-50	178.5	0	0	0	0	0	111.3	F181 L182 F187 L188 I189	F181-A185 VanDerWaalsContact O-CB 3.26Å; F181-A185 WeakPolarHBondContact O-CB 3.25Å; F181-A185 PolarHBondContact O-N 2.59Å; L182-A185 PolarHBondContact O-N 3.01Å; A185-F187 VanDerWaalsContact C-N 3.34Å; A185-F187 PolarHBondContact O-N 3.08Å; A185-L188 PolarHBondContact O-N 3.04Å; A185-I189 WeakPolarHBondContact O-CB 3.34Å; A185-I189 VanDerWaalsContact O-CG1 3.26Å; A185-I189 WeakPolarHBondContact O-CG1 3.24Å; A185-I189 PolarHBondContact O-N 3.15Å
186	S	90.8	Very high	90.3	Very high	77 Å²	77	80.9 Å²	80.9	54%	0.538	42%	0.417	S	S	.	.	H	α-helix	trans	-60.9	-42	178.4	-60.5	0	0	0	0	112.4	L182 L190	L182-S186 WeakPolarHBondContact O-CB 3.28Å; L182-S186 PolarHBondContact O-N 3.41Å; L182-S186 PolarHBondContact O-OG 3.02Å; L182-S186 VanDerWaalsContact O-OG 3.05Å; S186-L190 WeakPolarHBondContact O-CB 3.36Å; S186-L190 PolarHBondContact O-N 2.68Å
187	F	93.6	Very high	91.1	Very high	27 Å²	27	74.3 Å²	74.3	12%	0.118	39%	0.389	C	S	.	.	H	α-helix	trans	-65.7	-42	178	-176.3	-104.6	0	0	0	112.2	L161 V168 F169 I183 A184 A185 L190 S191 M497	L161-F187 HydrophobicContact CD1-CD2 4.24Å; L161-F187 HydrophobicContact CD1-CE2 3.53Å; L161-F187 HydrophobicContact CD1-CZ 3.99Å; L161-F187 HydrophobicContact CG-CE2 4.41Å; L161-F187 HydrophobicContact CG-CZ 4.45Å; V168-F187 HydrophobicContact CB-CD2 4.23Å; V168-F187 HydrophobicContact CB-CE2 4.35Å; V168-F187 HydrophobicContact CG1-CB 4.18Å; V168-F187 HydrophobicContact CG1-CD2 3.82Å; V168-F187 HydrophobicContact CG1-CE2 4.37Å; V168-F187 HydrophobicContact CG1-CG 3.96Å; V168-F187 HydrophobicContact CG2-CD2 3.97Å; V168-F187 HydrophobicContact CG2-CE2 4.09Å; F169-F187 HydrophobicContact CE1-CD1 4.38Å; F169-F187 AromaticContact CE1-CE1 3.85Å; F169-F187 HydrophobicContact CE1-CE1 3.85Å; F169-F187 HydrophobicContact CE1-CZ 4.27Å; F169-F187 HydrophobicContact CZ-CE1 4.12Å; F169-F187 HydrophobicContact CZ-CZ 4.34Å; I183-F187 VanDerWaalsContact O-CB 3.28Å; I183-F187 WeakPolarHBondContact O-CB 3.32Å; I183-F187 PolarHBondContact O-N 3.13Å; A184-F187 PolarHBondContact O-N 3.41Å; A185-F187 VanDerWaalsContact C-N 3.34Å; A185-F187 PolarHBondContact O-N 3.08Å; F187-L190 PolarHBondContact O-N 3.38Å; F187-S191 VanDerWaalsContact O-CB 3.31Å; F187-S191 WeakPolarHBondContact O-CB 3.11Å; F187-S191 PolarHBondContact O-N 2.95Å; F187-S191 PolarHBondContact O-OG 3.14Å; F187-M497 HydrophobicContact CE1-SD 4.25Å; F187-M497 HydrophobicContact CZ-SD 3.73Å
188	L	94.7	Very high	91.9	Very high	116 Å²	116	68.2 Å²	68.2	61%	0.607	36%	0.362	S	S	*	.	H	α-helix	trans	-67.3	-41.3	177.9	-72	173	0	0	0	112.1	A184 A185 S191 A192	A184-L188 WeakPolarHBondContact O-CB 3.42Å; A184-L188 VanDerWaalsContact O-CG 3.23Å; A184-L188 WeakPolarHBondContact O-CG 3.24Å; A184-L188 PolarHBondContact O-N 2.85Å; A185-L188 PolarHBondContact O-N 3.04Å; L188-S191 PolarHBondContact O-N 3.39Å; L188-A192 VanDerWaalsContact O-CB 3.28Å; L188-A192 WeakPolarHBondContact O-CB 3.4Å; L188-A192 PolarHBondContact O-N 3.42Å
189	I	96	Very high	92.7	Very high	124 Å²	124	64.8 Å²	64.8	64%	0.636	35%	0.351	S	S	*	.	H	α-helix	trans	-61.6	-48.3	175.7	-69.6	165.6	0	0	0	110.3	A185 S191 A192 F193	A185-I189 WeakPolarHBondContact O-CB 3.34Å; A185-I189 VanDerWaalsContact O-CG1 3.26Å; A185-I189 WeakPolarHBondContact O-CG1 3.24Å; A185-I189 PolarHBondContact O-N 3.15Å; I189-S191 VanDerWaalsContact C-N 3.34Å; I189-S191 PolarHBondContact O-N 3.23Å; I189-A192 PolarHBondContact O-N 3Å; I189-F193 WeakPolarHBondContact O-CB 3.2Å; I189-F193 PolarHBondContact O-N 2.95Å
190	L	94.5	Very high	93.2	Very high	88 Å²	88	68.5 Å²	68.5	46%	0.461	37%	0.366	S	S	.	.	H	α-helix	trans	-61.7	-43.2	177.6	179.5	62.5	0	0	0	111.7	L161 S186 F187 F193 I194	L161-L190 HydrophobicContact CD1-CD2 4.48Å; S186-L190 WeakPolarHBondContact O-CB 3.36Å; S186-L190 PolarHBondContact O-N 2.68Å; F187-L190 PolarHBondContact O-N 3.38Å; L190-F193 PolarHBondContact O-N 3.1Å; L190-I194 HydrophobicContact CD1-CD1 3.99Å; L190-I194 HydrophobicContact CD1-CG1 4.37Å; L190-I194 HydrophobicContact CG-CD1 3.98Å; L190-I194 WeakPolarHBondContact O-CG1 3.37Å; L190-I194 PolarHBondContact O-N 3.01Å
191	S	96.4	Very high	93.5	Very high	8 Å²	8	67.8 Å²	67.8	6%	0.056	36%	0.364	C	S	.	.	H	α-helix	trans	-62.8	-46.7	177.7	-56.4	0	0	0	0	111.2	F187 L188 I189 F193 I194 Y195	F187-S191 VanDerWaalsContact O-CB 3.31Å; F187-S191 WeakPolarHBondContact O-CB 3.11Å; F187-S191 PolarHBondContact O-N 2.95Å; F187-S191 PolarHBondContact O-OG 3.14Å; L188-S191 PolarHBondContact O-N 3.39Å; I189-S191 VanDerWaalsContact C-N 3.34Å; I189-S191 PolarHBondContact O-N 3.23Å; S191-F193 VanDerWaalsContact C-N 3.34Å; S191-F193 PolarHBondContact O-N 2.78Å; S191-I194 PolarHBondContact O-N 2.93Å; S191-Y195 WeakPolarHBondContact O-CB 3.03Å; S191-Y195 WeakPolarHBondContact O-CD2 3.48Å; S191-Y195 VanDerWaalsContact O-CG 3.26Å; S191-Y195 PolarHBondContact O-N 3.18Å
192	A	96.7	Very high	93.7	Very high	45 Å²	45	67.3 Å²	67.3	37%	0.372	36%	0.364	S	S	.	.	H	α-helix	trans	-61.1	-43	177.8	0	0	0	0	0	111.4	L188 I189 L196	L188-A192 VanDerWaalsContact O-CB 3.28Å; L188-A192 WeakPolarHBondContact O-CB 3.4Å; L188-A192 PolarHBondContact O-N 3.42Å; I189-A192 PolarHBondContact O-N 3Å; A192-L196 WeakPolarHBondContact O-CB 3.4Å; A192-L196 VanDerWaalsContact O-CG 3.22Å; A192-L196 WeakPolarHBondContact O-CG 3.4Å; A192-L196 PolarHBondContact O-N 3.02Å
193	F	96.2	Very high	94.1	Very high	134 Å²	134	62.8 Å²	62.8	59%	0.588	34%	0.341	S	S	*	.	H	α-helix	trans	-59.4	-48.6	175.1	177.2	-98.3	0	0	0	111.8	I189 L190 S191 L196 S197	I189-F193 WeakPolarHBondContact O-CB 3.2Å; I189-F193 PolarHBondContact O-N 2.95Å; L190-F193 PolarHBondContact O-N 3.1Å; S191-F193 VanDerWaalsContact C-N 3.34Å; S191-F193 PolarHBondContact O-N 2.78Å; F193-L196 PolarHBondContact O-N 2.95Å; F193-S197 WeakPolarHBondContact O-CB 3.44Å; F193-S197 PolarHBondContact O-N 3.5Å
194	I	96.4	Very high	94.4	Very high	20 Å²	20	61 Å²	61	10%	0.103	33%	0.332	C	S	.	.	H	α-helix	trans	-63.3	-47.5	180	-68.7	168.9	0	0	0	111	A157 V158 L161 L190 S191 L196 S197	A157-I194 HydrophobicContact CB-CD1 4.38Å; A157-I194 HydrophobicContact CB-CG1 4.39Å; A157-I194 HydrophobicContact CB-CG2 3.89Å; V158-I194 HydrophobicContact CG2-CG2 3.59Å; L161-I194 HydrophobicContact CB-CD1 4.25Å; L161-I194 HydrophobicContact CD1-CD1 4.35Å; L161-I194 HydrophobicContact CD2-CD1 4.23Å; L190-I194 HydrophobicContact CD1-CD1 3.99Å; L190-I194 HydrophobicContact CD1-CG1 4.37Å; L190-I194 HydrophobicContact CG-CD1 3.98Å; L190-I194 WeakPolarHBondContact O-CG1 3.37Å; L190-I194 PolarHBondContact O-N 3.01Å; S191-I194 PolarHBondContact O-N 2.93Å; I194-L196 PolarHBondContact O-N 3.12Å; I194-S197 PolarHBondContact O-N 3.38Å; I194-S197 PolarHBondContact O-OG 3.05Å
195	Y	97.1	Very high	94.7	Very high	26 Å²	26	59.4 Å²	59.4	10%	0.102	32%	0.32	C	S	.	.	H	α-helix	trans	-68.4	-31.5	-178.8	-65	-35.2	0	0	0	113.4	V158 L161 S191 P198 W486 D490 S493 I494 M497	V158-Y195 HydrophobicContact CB-CE1 4.5Å; V158-Y195 HydrophobicContact CG1-CE1 3.92Å; V158-Y195 HydrophobicContact CG2-CD1 3.93Å; V158-Y195 HydrophobicContact CG2-CE1 3.93Å; L161-Y195 HydrophobicContact CD2-CE1 4.22Å; L161-Y195 HydrophobicContact CD2-CE2 4.38Å; S191-Y195 WeakPolarHBondContact O-CB 3.03Å; S191-Y195 WeakPolarHBondContact O-CD2 3.48Å; S191-Y195 VanDerWaalsContact O-CG 3.26Å; S191-Y195 PolarHBondContact O-N 3.18Å; Y195-P198 WeakPolarHBondContact O-CD 3.46Å; Y195-W486 VanDerWaalsContact O-CE2 3.32Å; Y195-W486 WeakPolarHBondContact O-CZ2 3.12Å; Y195-W486 PolarHBondContact O-NE1 3.21Å; Y195-D490 WeakPolarHBondContact CA-OD2 3.34Å; Y195-D490 WeakPolarHBondContact CB-OD2 3.43Å; Y195-D490 HydrophobicContact CD1-CB 3.99Å; Y195-D490 WeakPolarHBondContact CD1-OD1 3.35Å; Y195-D490 WeakPolarHBondContact CD1-OD2 3.33Å; Y195-D490 HydrophobicContact CE1-CB 4.27Å; Y195-S493 PolarHBondContact OH-OG 2.89Å; Y195-I494 HydrophobicContact CD2-CD1 4.48Å; Y195-I494 HydrophobicContact CE2-CD1 4.07Å; Y195-I494 HydrophobicContact CE2-CG1 3.81Å; Y195-M497 HydrophobicContact CE2-CE 4.44Å; Y195-M497 WeakPolarHBondContact OH-CE 3.43Å
196	L	96.4	Very high	94.8	Very high	99 Å²	99	59.2 Å²	59.2	52%	0.518	31%	0.314	S	S	.	.	H	α-helix	trans	-90.9	-10.5	178.7	-62.8	174.9	0	0	0	113.2	A192 F193 I194 P198 L199	A192-L196 WeakPolarHBondContact O-CB 3.4Å; A192-L196 VanDerWaalsContact O-CG 3.22Å; A192-L196 WeakPolarHBondContact O-CG 3.4Å; A192-L196 PolarHBondContact O-N 3.02Å; F193-L196 PolarHBondContact O-N 2.95Å; I194-L196 PolarHBondContact O-N 3.12Å; L196-P198 VanDerWaalsContact C-N 3.27Å; L196-P198 VanDerWaalsContact O-N 3.17Å; L196-L199 HydrophobicContact CB-CD1 4.44Å; L196-L199 HydrophobicContact CD2-CD1 4.22Å; L196-L199 WeakPolarHBondContact O-CB 3.42Å; L196-L199 WeakPolarHBondContact O-CG 3.5Å; L196-L199 PolarHBondContact O-N 3.4Å
197	S	95.4	Very high	94.8	Very high	21 Å²	21	56.2 Å²	56.2	15%	0.147	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-54.6	-31.4	-179	66.9	0	0	0	0	114.9	Q154 F193 I194 L199 L200	Q154-S197 WeakPolarHBondContact CG-OG 3.37Å; F193-S197 WeakPolarHBondContact O-CB 3.44Å; F193-S197 PolarHBondContact O-N 3.5Å; I194-S197 PolarHBondContact O-N 3.38Å; I194-S197 PolarHBondContact O-OG 3.05Å; S197-L199 PolarHBondContact O-N 2.93Å; S197-L199 VanDerWaalsContact O-N 3.08Å; S197-L200 WeakPolarHBondContact O-CB 3.49Å; S197-L200 PolarHBondContact O-N 3.08Å
198	P	95.7	Very high	94.4	Very high	9 Å²	9	57.5 Å²	57.5	6%	0.058	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-59	-20.2	174.5	-32.4	44	0	0	0	115.7	Q154 Y195 L196 L200 I201 Y482 W486	Q154-P198 HydrophobicContact CG-CG 3.68Å; Y195-P198 WeakPolarHBondContact O-CD 3.46Å; L196-P198 VanDerWaalsContact C-N 3.27Å; L196-P198 VanDerWaalsContact O-N 3.17Å; P198-L200 PolarHBondContact O-N 3.35Å; P198-I201 PolarHBondContact O-N 3.47Å; P198-Y482 HydrophobicContact CB-CE1 4.21Å; P198-W486 HydrophobicContact CB-CD2 3.51Å; P198-W486 HydrophobicContact CB-CE3 3.65Å; P198-W486 HydrophobicContact CB-CG 4.08Å; P198-W486 HydrophobicContact CB-CH2 3.98Å; P198-W486 HydrophobicContact CB-CZ2 3.85Å; P198-W486 HydrophobicContact CB-CZ3 3.88Å; P198-W486 HydrophobicContact CG-CD2 3.65Å; P198-W486 VanDerWaalsContact CG-CE2 3.48Å; P198-W486 HydrophobicContact CG-CE3 4.32Å; P198-W486 HydrophobicContact CG-CG 3.8Å; P198-W486 HydrophobicContact CG-CZ2 4.03Å
199	L	94.1	Very high	93.3	Very high	112 Å²	112	53.8 Å²	53.8	59%	0.586	28%	0.281	S	S	*	.	G	3₁₀ helix	trans	-67.4	-19.3	172.5	-62.3	175.6	0	0	0	113.1	L196 S197 W486	L196-L199 HydrophobicContact CB-CD1 4.44Å; L196-L199 HydrophobicContact CD2-CD1 4.22Å; L196-L199 WeakPolarHBondContact O-CB 3.42Å; L196-L199 WeakPolarHBondContact O-CG 3.5Å; L196-L199 PolarHBondContact O-N 3.4Å; S197-L199 PolarHBondContact O-N 2.93Å; S197-L199 VanDerWaalsContact O-N 3.08Å; L199-W486 HydrophobicContact CD2-CH2 3.74Å; L199-W486 HydrophobicContact CD2-CZ3 4.25Å; L199-W486 HydrophobicContact CG-CH2 3.9Å
200	L	93.3	Very high	92.2	Very high	128 Å²	128	56.7 Å²	56.7	67%	0.67	29%	0.289	S	S	*	.	G	3₁₀ helix	trans	-102.2	-3.5	179.6	-53.8	177	0	0	0	112.3	S197 P198 H202	S197-L200 WeakPolarHBondContact O-CB 3.49Å; S197-L200 PolarHBondContact O-N 3.08Å; P198-L200 PolarHBondContact O-N 3.35Å; L200-H202 PolarHBondContact O-CD2 2.87Å; L200-H202 PolarHBondContact O-N 3.49Å
201	I	93.1	Very high	91.1	Very high	24 Å²	24	60.1 Å²	60.1	12%	0.123	30%	0.302	C	S	.	.			trans	-86.3	108	-176	-66	179	0	0	0	109.2	A150 P151 Q154 P198 L206 Y482	A150-I201 HydrophobicContact CB-CD1 3.82Å; A150-I201 HydrophobicContact CB-CG1 3.87Å; A150-I201 HydrophobicContact CB-CG2 4.01Å; P151-I201 HydrophobicContact CG-CG2 3.97Å; Q154-I201 HydrophobicContact CB-CD1 4.07Å; P198-I201 PolarHBondContact O-N 3.47Å; I201-L206 HydrophobicContact CG2-CD1 4.41Å; I201-Y482 WeakPolarHBondContact CD1-OH 3.32Å
202	H	91.6	Very high	90	Very high	141 Å²	141	63.9 Å²	63.9	65%	0.653	32%	0.322	S	S	*	.			trans	-107.6	110.4	171	-60	-72.4	0	0	0	108.7	Q147 L200	Q147-H202 WeakPolarHBondContact CB-O 3.49Å; Q147-H202 WeakPolarHBondContact CG-O 3.31Å; L200-H202 PolarHBondContact O-CD2 2.87Å; L200-H202 PolarHBondContact O-N 3.49Å
203	S	94.8	Very high	89	Confident	15 Å²	15	68.4 Å²	68.4	11%	0.105	34%	0.339	C	S	.	.			trans	-126.7	127.5	180	-176.2	0	0	0	0	110.4	Q147 C205 L206	Q147-S203 WeakPolarHBondContact O-CB 3.29Å; Q147-S203 PolarHBondContact O-OG 2.86Å; S203-C205 PolarHBondContact O-N 3.1Å; S203-C205 PolarHBondContact OG-N 3.21Å; S203-L206 PolarHBondContact O-N 3.18Å
204	P	94.3	Very high	88.4	Confident	5 Å²	5	64 Å²	64	3%	0.032	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-28.5	171.4	-24.7	34	0	0	0	113.1	I207 A424 R428 L450 C453 A454	P204-I207 WeakPolarHBondContact O-CG1 3.47Å; P204-I207 WeakPolarHBondContact O-CG2 3.32Å; P204-A424 HydrophobicContact CB-CB 4.03Å; P204-A424 HydrophobicContact CG-CB 3.53Å; P204-R428 PolarHBondContact O-NH2 3.25Å; P204-R428 VanDerWaalsContact O-NH2 3.12Å; P204-L450 HydrophobicContact CB-CD1 4.16Å; P204-L450 HydrophobicContact CG-CD1 3.64Å; P204-L450 HydrophobicContact CG-CG 4.4Å; P204-C453 VanDerWaalsContact C-CB 3.5Å; P204-C453 HydrophobicContact CB-CB 3.92Å; P204-C453 WeakPolarHBondContact O-CB 3.47Å; P204-A454 HydrophobicContact CB-CB 4.29Å
205	C	95.3	Very high	88.2	Confident	0 Å²	0	67.7 Å²	67.7	0%	0	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-0.6	-177.9	-66.3	0	0	0	0	114.4	S203 I207 C453 W475 T476 M477	S203-C205 PolarHBondContact O-N 3.1Å; S203-C205 PolarHBondContact OG-N 3.21Å; C205-I207 PolarHBondContact O-N 3.21Å; C205-C453 WeakPolarHBondContact CA-SG 3.26Å; C205-C453 HydrophobicContact CB-CB 3.93Å; C205-C453 WeakPolarHBondContact CB-SG 3.31Å; C205-C453 WeakPolarHBondContact SG-CB 3.44Å; C205-C453 CovalentContact SG-SG 2.06Å; C205-C453 PolarHBondContact SG-SG 3.32Å; C205-W475 HydrophobicContact CB-CE3 4.36Å; C205-W475 HydrophobicContact CB-CH2 3.64Å; C205-W475 HydrophobicContact CB-CZ2 3.78Å; C205-W475 HydrophobicContact CB-CZ3 3.95Å; C205-T476 HydrophobicContact CB-CG2 4.23Å; C205-T476 WeakPolarHBondContact O-CA 3.44Å; C205-M477 PolarHBondContact O-N 3.43Å
206	L	94.4	Very high	88.1	Confident	24 Å²	24	69.8 Å²	69.8	13%	0.126	36%	0.355	C	S	.	.	S	Bend	trans	-79.7	67.6	164.6	-71.3	176.3	0	0	0	110.1	I201 S203 W475 M477 P479 Y482	I201-L206 HydrophobicContact CG2-CD1 4.41Å; S203-L206 PolarHBondContact O-N 3.18Å; L206-W475 HydrophobicContact CD2-CZ3 4.31Å; L206-M477 CarbonylContact C-O 3.57Å; L206-M477 VanDerWaalsContact C-O 3.29Å; L206-M477 WeakPolarHBondContact CA-O 3.5Å; L206-M477 HydrophobicContact CD2-CB 4.03Å; L206-P479 VanDerWaalsContact O-CG 3.3Å; L206-P479 WeakPolarHBondContact O-CG 3.26Å; L206-Y482 HydrophobicContact CD1-CD1 3.77Å; L206-Y482 HydrophobicContact CD1-CE1 3.93Å; L206-Y482 HydrophobicContact CD1-CG 4.31Å; L206-Y482 HydrophobicContact CD2-CD1 3.96Å; L206-Y482 HydrophobicContact CD2-CD2 4.12Å; L206-Y482 HydrophobicContact CD2-CG 3.64Å
207	I	90.8	Very high	88.1	Confident	15 Å²	15	65.2 Å²	65.2	8%	0.077	33%	0.331	C	S	.	.	S	Bend	trans	-141.2	160.9	-174.7	55.8	168.6	0	0	0	111.3	P204 C205 I209 L212 L214 C453 T476 M477	P204-I207 WeakPolarHBondContact O-CG1 3.47Å; P204-I207 WeakPolarHBondContact O-CG2 3.32Å; C205-I207 PolarHBondContact O-N 3.21Å; I207-I209 HydrophobicContact CD1-CG1 3.92Å; I207-I209 HydrophobicContact CG1-CG1 4.26Å; I207-L212 HydrophobicContact CB-CD1 3.84Å; I207-L212 HydrophobicContact CD1-CD1 4.31Å; I207-L212 HydrophobicContact CG2-CD1 3.92Å; I207-L214 HydrophobicContact CD1-CD1 3.5Å; I207-C453 HydrophobicContact CD1-CB 3.98Å; I207-T476 HydrophobicContact CG1-CG2 4.31Å; I207-M477 PolarHBondContact N-O 3.12Å; I207-M477 CarbonylContact O-C 3.51Å
208	D	84.6	Confident	88.3	Confident	54 Å²	54	68 Å²	68	29%	0.289	35%	0.345	S	S	.	.			trans	-97.1	104.5	160.7	-164.8	-40.6	0	0	0	109	K210 E211 L212	D208-K210 PolarHBondContact O-N 3.4Å; D208-K210 WeakPolarHBondContact OD1-CB 3.45Å; D208-K210 PolarHBondContact OD1-N 3.34Å; D208-E211 HydrophobicContact CB-CB 4.13Å; D208-E211 HydrophobicContact CB-CG 3.85Å; D208-E211 PolarHBondContact O-N 3.43Å; D208-E211 PolarHBondContact OD1-N 2.93Å; D208-L212 PolarHBondContact O-N 2.89Å
209	I	73	Confident	88.4	Confident	38 Å²	38	68 Å²	68	20%	0.195	34%	0.344	C	S	.	.	H	α-helix	trans	-58.7	-33.9	-178.7	-69.6	176	0	0	0	111.3	I207 E211 L212 N213 L214 P473 T476	I207-I209 HydrophobicContact CD1-CG1 3.92Å; I207-I209 HydrophobicContact CG1-CG1 4.26Å; I209-E211 VanDerWaalsContact C-N 3.32Å; I209-E211 PolarHBondContact O-N 3.01Å; I209-L212 PolarHBondContact O-N 3.04Å; I209-N213 PolarHBondContact O-N 3.28Å; I209-N213 VanDerWaalsContact O-N 3.14Å; I209-L214 HydrophobicContact CG2-CB 4.4Å; I209-P473 HydrophobicContact CD1-CG 3.82Å; I209-T476 HydrophobicContact CD1-CG2 3.39Å; I209-T476 HydrophobicContact CG1-CG2 3.86Å
210	K	72.3	Confident	88.6	Confident	184 Å²	184	63.4 Å²	63.4	80%	0.8	32%	0.319	S	S	*	.	H	α-helix	trans	-70.5	-32.3	-177.1	-66.3	179.9	177.2	178.5	0	111.5	D208	D208-K210 PolarHBondContact O-N 3.4Å; D208-K210 WeakPolarHBondContact OD1-CB 3.45Å; D208-K210 PolarHBondContact OD1-N 3.34Å
211	E	71.3	Confident	88.9	Confident	161 Å²	161	57.3 Å²	57.3	75%	0.752	29%	0.287	S	S	*	.	H	α-helix	trans	-72.3	-32.1	175.8	-65	-175.8	165.9	0	0	112.1	D208 I209	D208-E211 HydrophobicContact CB-CB 4.13Å; D208-E211 HydrophobicContact CB-CG 3.85Å; D208-E211 PolarHBondContact O-N 3.43Å; D208-E211 PolarHBondContact OD1-N 2.93Å; I209-E211 VanDerWaalsContact C-N 3.32Å; I209-E211 PolarHBondContact O-N 3.01Å
212	L	72.8	Confident	89.1	Confident	87 Å²	87	56.6 Å²	56.6	46%	0.455	28%	0.283	S	S	.	.	H	α-helix	trans	-92.4	-3.9	-175.6	-78.2	149.3	0	0	0	114.5	I207 D208 I209 L214	I207-L212 HydrophobicContact CB-CD1 3.84Å; I207-L212 HydrophobicContact CD1-CD1 4.31Å; I207-L212 HydrophobicContact CG2-CD1 3.92Å; D208-L212 PolarHBondContact O-N 2.89Å; I209-L212 PolarHBondContact O-N 3.04Å; L212-L214 HydrophobicContact CB-CD1 4.32Å; L212-L214 HydrophobicContact CB-CD2 4.42Å; L212-L214 HydrophobicContact CB-CG 3.87Å; L212-L214 PolarHBondContact O-N 3.11Å; L212-L214 VanDerWaalsContact O-N 3.08Å
213	N	76.6	Confident	89.4	Confident	140 Å²	140	50.3 Å²	50.3	75%	0.749	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.8	36.8	-177.6	-72.9	-32.5	0	0	0	113.5	I209 T215	I209-N213 PolarHBondContact O-N 3.28Å; I209-N213 VanDerWaalsContact O-N 3.14Å; N213-T215 PolarHBondContact O-N 3.48Å
214	L	84.3	Confident	89.6	Confident	40 Å²	40	49.6 Å²	49.6	21%	0.209	25%	0.249	C	C	.	.	P	Polyproline II helix	trans	-68	123.7	-177.5	-66.1	175.2	0	0	0	110.4	I207 I209 L212	I207-L214 HydrophobicContact CD1-CD1 3.5Å; I209-L214 HydrophobicContact CG2-CB 4.4Å; L212-L214 HydrophobicContact CB-CD1 4.32Å; L212-L214 HydrophobicContact CB-CD2 4.42Å; L212-L214 HydrophobicContact CB-CG 3.87Å; L212-L214 PolarHBondContact O-N 3.11Å; L212-L214 VanDerWaalsContact O-N 3.08Å
215	T	90.4	Very high	89.8	Confident	99 Å²	99	49.4 Å²	49.4	61%	0.607	25%	0.247	S	C	*	.	P	Polyproline II helix	trans	-84.1	153	173.5	56.9	0	0	0	0	110.6	N213 W452	N213-T215 PolarHBondContact O-N 3.48Å; T215-W452 PolarHBondContact O-NE1 2.94Å
216	K	95.4	Very high	89.9	Confident	69 Å²	69	49.5 Å²	49.5	30%	0.3	25%	0.248	S	C	.	.	P	Polyproline II helix	trans	-57.5	131.8	169.5	-177.8	174.4	176.2	173.1	0	110.1	F448 W452 F467 S468 M470	K216-F448 HydrophobicContact CG-CZ 4.48Å; K216-W452 VanDerWaalsContact CA-CE2 3.49Å; K216-W452 VanDerWaalsContact CA-CZ2 3.42Å; K216-W452 HydrophobicContact CB-CH2 3.64Å; K216-W452 HydrophobicContact CB-CZ2 3.45Å; K216-W452 VanDerWaalsContact CB-CZ2 3.45Å; K216-W452 HydrophobicContact CB-CZ3 4.39Å; K216-W452 HydrophobicContact CD-CH2 3.83Å; K216-W452 HydrophobicContact CD-CZ3 4.21Å; K216-W452 HydrophobicContact CG-CE3 4.41Å; K216-W452 HydrophobicContact CG-CH2 3.54Å; K216-W452 HydrophobicContact CG-CZ2 3.85Å; K216-W452 HydrophobicContact CG-CZ3 3.86Å; K216-F467 VanDerWaalsContact CE-O 3.3Å; K216-F467 WeakPolarHBondContact CE-O 3.35Å; K216-F467 PolarHBondContact NZ-O 3.37Å; K216-S468 PolarHBondContact NZ-O 3.29Å; K216-M470 VanDerWaalsContact CE-O 3.32Å; K216-M470 WeakPolarHBondContact CE-O 3.47Å; K216-M470 PolarHBondContact NZ-O 3.22Å
217	P	97.4	Very high	90	Very high	3 Å²	3	48.7 Å²	48.7	2%	0.019	24%	0.244	C	C	.	.	P	Polyproline II helix	trans	-61.4	138.8	172.6	-23.3	33.5	0	0	0	111.4	F448 W452 V456 S457	P217-F448 HydrophobicContact CB-CE2 4.02Å; P217-F448 HydrophobicContact CB-CZ 4.4Å; P217-F448 HydrophobicContact CG-CE2 4.12Å; P217-F448 HydrophobicContact CG-CZ 4.34Å; P217-W452 VanDerWaalsContact CD-CG 3.49Å; P217-W452 HydrophobicContact CG-CB 3.97Å; P217-W452 HydrophobicContact CG-CG 4.06Å; P217-V456 HydrophobicContact CB-CG2 3.89Å; P217-V456 HydrophobicContact CG-CG2 3.67Å; P217-S457 CarbonylContact C-O 3.13Å; P217-S457 WeakPolarHBondContact CA-O 3.49Å
218	D	98.1	Very high	90.3	Very high	81 Å²	81	48.5 Å²	48.5	43%	0.433	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	150.7	172.5	-73.7	-41.1	0	0	0	110.8	K247 S457 S458 V459	D218-K247 HydrophobicContact CB-CB 4.33Å; D218-K247 HydrophobicContact CB-CG 3.9Å; D218-S457 PolarHBondContact N-O 2.98Å; D218-S458 CarbonylContact O-C 3.52Å; D218-S458 WeakPolarHBondContact O-CA 3.26Å; D218-S458 VanDerWaalsContact O-CB 3.24Å; D218-S458 WeakPolarHBondContact O-CB 3.16Å; D218-V459 PolarHBondContact O-N 2.93Å
219	L	98.7	Very high	90.9	Very high	9 Å²	9	46 Å²	46	5%	0.047	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	127.6	-179.6	-57.2	-178	0	0	0	110.2	V246 K247 F448 V459 F467	L219-V246 HydrophobicContact CB-CG1 4.33Å; L219-V246 CarbonylContact O-C 3.54Å; L219-V246 VanDerWaalsContact O-CA 3.27Å; L219-V246 WeakPolarHBondContact O-CA 3.3Å; L219-V246 WeakPolarHBondContact O-CB 3.18Å; L219-K247 PolarHBondContact O-N 2.85Å; L219-F448 HydrophobicContact CD2-CE2 3.93Å; L219-F448 HydrophobicContact CD2-CZ 4.02Å; L219-V459 HydrophobicContact CD2-CG2 3.85Å; L219-F467 HydrophobicContact CD1-CB 3.93Å; L219-F467 HydrophobicContact CD2-CB 3.78Å; L219-F467 HydrophobicContact CD2-CD2 4.26Å
220	W	98.6	Very high	92.1	Very high	15 Å²	15	44.1 Å²	44.1	6%	0.057	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	126.2	172.3	-62.8	14.9	0	0	0	107.6	H222 V248 I345 Y378 N438 S458 V459 T460 T461	W220-H222 PolarHBondContact O-N 2.98Å; W220-V248 WeakPolarHBondContact CA-O 3.23Å; W220-V248 HydrophobicContact CB-CB 4.1Å; W220-V248 HydrophobicContact CD2-CB 3.71Å; W220-V248 HydrophobicContact CD2-CG1 4.12Å; W220-V248 HydrophobicContact CD2-CG2 3.73Å; W220-V248 HydrophobicContact CE3-CB 4.32Å; W220-V248 HydrophobicContact CE3-CG1 4.24Å; W220-V248 HydrophobicContact CG-CB 3.59Å; W220-V248 HydrophobicContact CG-CG1 4.41Å; W220-V248 HydrophobicContact CG-CG2 3.82Å; W220-V248 HydrophobicContact CZ2-CG2 3.95Å; W220-V248 VanDerWaalsContact NE1-CG2 3.26Å; W220-I345 HydrophobicContact CE3-CD1 4.4Å; W220-I345 HydrophobicContact CE3-CG2 3.86Å; W220-I345 HydrophobicContact CH2-CD1 4.24Å; W220-I345 HydrophobicContact CZ3-CB 4.41Å; W220-I345 HydrophobicContact CZ3-CD1 3.52Å; W220-I345 HydrophobicContact CZ3-CG2 3.97Å; W220-Y378 AromaticContact CH2-CD2 3.83Å; W220-Y378 HydrophobicContact CH2-CD2 3.83Å; W220-Y378 AromaticContact CH2-CE2 3.98Å; W220-Y378 HydrophobicContact CH2-CE2 3.98Å; W220-Y378 HydrophobicContact CZ2-CD2 4.18Å; W220-Y378 AromaticContact CZ2-CE2 3.87Å; W220-Y378 HydrophobicContact CZ2-CE2 3.87Å; W220-N438 HydrophobicContact CE3-CB 4.17Å; W220-N438 VanDerWaalsContact CE3-ND2 3.3Å; W220-N438 HydrophobicContact CH2-CB 3.66Å; W220-N438 HydrophobicContact CZ2-CB 4.01Å; W220-N438 HydrophobicContact CZ3-CB 3.72Å; W220-N438 VanDerWaalsContact CZ3-CG 3.43Å; W220-N438 WeakPolarHBondContact CZ3-ND2 3.44Å; W220-S458 VanDerWaalsContact CE2-OG 3.31Å; W220-S458 WeakPolarHBondContact CZ2-OG 3.37Å; W220-S458 PolarHBondContact NE1-OG 3.03Å; W220-V459 PolarHBondContact N-O 3.22Å; W220-T460 WeakPolarHBondContact O-CA 3.34Å; W220-T461 PolarHBondContact O-N 3.48Å
221	G	98.5	Very high	93.3	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	101.9	-176	0	0	0	0	0	110.6	R223 G224 V248 E250	G221-R223 PolarHBondContact O-N 3.48Å; G221-G224 CarbonylContact C-O 3.38Å; G221-G224 WeakPolarHBondContact CA-O 3.48Å; G221-G224 PolarHBondContact O-N 2.93Å; G221-G224 VanDerWaalsContact O-N 3.12Å; G221-V248 PolarHBondContact N-O 2.84Å; G221-E250 PolarHBondContact O-N 3Å
222	H	98.4	Very high	94.6	Very high	9 Å²	9	28.6 Å²	28.6	4%	0.042	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	112.7	178.3	-175.7	-123.8	0	0	0	109.2	W220 G224 P226 E250 V441 T460 T461 N462	W220-H222 PolarHBondContact O-N 2.98Å; H222-G224 PolarHBondContact O-N 3Å; H222-G224 VanDerWaalsContact O-N 3.1Å; H222-P226 WeakPolarHBondContact O-CD 3.43Å; H222-P226 VanDerWaalsContact O-CG 3.28Å; H222-P226 WeakPolarHBondContact O-CG 3.39Å; H222-E250 VanDerWaalsContact CA-OE2 3.26Å; H222-E250 WeakPolarHBondContact CA-OE2 3.46Å; H222-E250 VanDerWaalsContact CD2-CD 3.44Å; H222-E250 IonicContact CD2-OE1 3.04Å; H222-E250 PolarHBondContact CD2-OE1 2.87Å; H222-E250 IonicContact CD2-OE2 3.44Å; H222-E250 PolarHBondContact CD2-OE2 2.97Å; H222-E250 IonicContact CG-OE2 3.61Å; H222-E250 IonicContact NE2-OE1 2.79Å; H222-E250 IonicContact NE2-OE2 3.72Å; H222-V441 HydrophobicContact CB-CG1 4.3Å; H222-T460 HydrophobicContact CB-CG2 3.54Å; H222-T461 WeakPolarHBondContact CB-O 3.42Å; H222-T461 PolarHBondContact N-O 3.34Å; H222-T461 VanDerWaalsContact N-O 3.14Å; H222-N462 PolarHBondContact ND1-OD1 2.99Å
223	R	98.4	Very high	95.8	Very high	9 Å²	9	24.5 Å²	24.5	3%	0.034	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.7	31.1	-173.9	-49.1	178.8	-163.3	159.4	13.7	113.2	G221 E231 N232 S236 E250 D252 H265	G221-R223 PolarHBondContact O-N 3.48Å; R223-E231 HydrophobicContact CB-CB 3.91Å; R223-E231 WeakPolarHBondContact CD-OE1 3.23Å; R223-E231 IonicContact CZ-OE1 3.74Å; R223-E231 IonicContact NE-OE1 3.85Å; R223-E231 IonicContact NH1-OE1 2.83Å; R223-E231 PolarHBondContact NH1-OE1 2.86Å; R223-N232 WeakPolarHBondContact CA-OD1 3.42Å; R223-N232 WeakPolarHBondContact CB-OD1 3.27Å; R223-N232 PolarHBondContact O-N 3.11Å; R223-N232 VanDerWaalsContact O-N 3.08Å; R223-S236 PolarHBondContact O-OG 3.04Å; R223-E250 WeakPolarHBondContact CA-O 3.39Å; R223-E250 PolarHBondContact N-O 3.39Å; R223-E250 PolarHBondContact N-OE2 3.39Å; R223-D252 IonicContact NE-OD2 3.1Å; R223-D252 PolarHBondContact NE-OD2 3.19Å; R223-H265 VanDerWaalsContact NH1-CG 3.34Å; R223-H265 PolarHBondContact NH2-CD2 3.15Å; R223-H265 PolarHBondContact NH2-CE1 2.87Å; R223-H265 PolarHBondContact NH2-NE2 2.77Å
224	G	98.4	Very high	96.9	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.103	C	C	.	.	S	Bend	trans	89.3	-117.8	-170.6	0	0	0	0	0	113.8	G221 H222 S236 S240	G221-G224 CarbonylContact C-O 3.38Å; G221-G224 WeakPolarHBondContact CA-O 3.48Å; G221-G224 PolarHBondContact O-N 2.93Å; G221-G224 VanDerWaalsContact O-N 3.12Å; H222-G224 PolarHBondContact O-N 3Å; H222-G224 VanDerWaalsContact O-N 3.1Å; G224-S236 WeakPolarHBondContact CA-OG 3.35Å; G224-S240 WeakPolarHBondContact O-CB 3.45Å
225	A	97.9	Very high	97.6	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.096	C	C	.	.			trans	-129.3	73.4	176	0	0	0	0	0	110.2	M227 L228 A229 S236 R239	A225-M227 VanDerWaalsContact C-N 3.26Å; A225-M227 PolarHBondContact O-N 3.28Å; A225-L228 HydrophobicContact CB-CB 4.03Å; A225-L228 HydrophobicContact CB-CD1 4.09Å; A225-L228 HydrophobicContact CB-CG 4.29Å; A225-L228 CarbonylContact O-C 3.54Å; A225-L228 WeakPolarHBondContact O-CA 3.32Å; A225-L228 WeakPolarHBondContact O-CB 3.39Å; A225-L228 PolarHBondContact O-N 3.47Å; A225-A229 PolarHBondContact O-N 3.29Å; A225-S236 PolarHBondContact N-O 2.79Å; A225-S236 VanDerWaalsContact N-O 3.17Å; A225-S236 PolarHBondContact N-OG 3.44Å; A225-R239 HydrophobicContact CB-CB 4.49Å
226	P	96.9	Very high	98	Very high	2 Å²	2	13.7 Å²	13.7	1%	0.013	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-21	-168.2	24.6	-34.2	0	0	0	113.7	H222 L228 A229 E231 F302 F308 N462	H222-P226 WeakPolarHBondContact O-CD 3.43Å; H222-P226 VanDerWaalsContact O-CG 3.28Å; H222-P226 WeakPolarHBondContact O-CG 3.39Å; P226-L228 PolarHBondContact O-N 2.86Å; P226-A229 CarbonylContact C-O 3.37Å; P226-A229 VanDerWaalsContact CA-O 3.23Å; P226-A229 WeakPolarHBondContact CA-O 3.38Å; P226-A229 VanDerWaalsContact O-O 3.08Å; P226-E231 HydrophobicContact CB-CB 3.86Å; P226-F302 VanDerWaalsContact O-CE2 3.28Å; P226-F302 WeakPolarHBondContact O-CE2 3.38Å; P226-F308 HydrophobicContact CB-CE2 4.01Å; P226-F308 HydrophobicContact CB-CZ 4.28Å; P226-F308 WeakPolarHBondContact O-CD2 3.49Å; P226-F308 WeakPolarHBondContact O-CE2 3.19Å; P226-N462 HydrophobicContact CG-CB 3.8Å; P226-N462 WeakPolarHBondContact CG-OD1 3.37Å
227	M	96.2	Very high	98.1	Very high	7 Å²	7	10.4 Å²	10.4	3%	0.034	5%	0.052	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-10.1	169	-69.3	-173.2	-176.5	0	0	113.3	A225 F308 T310 N443 N462 N463 Q465	A225-M227 VanDerWaalsContact C-N 3.26Å; A225-M227 PolarHBondContact O-N 3.28Å; M227-F308 HydrophobicContact CB-CG 4.45Å; M227-F308 HydrophobicContact CE-CD1 4.22Å; M227-F308 HydrophobicContact CG-CB 4.12Å; M227-F308 HydrophobicContact CG-CD1 3.88Å; M227-F308 HydrophobicContact CG-CD2 4.23Å; M227-F308 HydrophobicContact CG-CE1 4.36Å; M227-F308 HydrophobicContact CG-CG 3.8Å; M227-T310 HydrophobicContact CB-CG2 4.46Å; M227-T310 WeakPolarHBondContact O-CB 3.48Å; M227-T310 WeakPolarHBondContact O-CG2 3.42Å; M227-T310 PolarHBondContact O-OG1 2.97Å; M227-N443 HydrophobicContact CE-CB 4.39Å; M227-N462 WeakPolarHBondContact CB-O 3.42Å; M227-N462 HydrophobicContact CE-CB 3.82Å; M227-N462 HydrophobicContact CG-CB 4.11Å; M227-N462 VanDerWaalsContact CG-O 3.25Å; M227-N462 WeakPolarHBondContact CG-O 3.33Å; M227-N462 HydrophobicContact SD-CB 4.45Å; M227-N463 HydrophobicContact CE-CB 3.92Å; M227-N463 HydrophobicContact SD-CB 3.6Å; M227-N463 VanDerWaalsContact SD-CB 3.6Å; M227-Q465 VanDerWaalsContact CB-NE2 3.28Å
228	L	97.1	Very high	98.2	Very high	12 Å²	12	14.6 Å²	14.6	6%	0.063	7%	0.071	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.9	-36.5	179	-65.4	-174.2	0	0	0	112.3	A225 P226 R239 E243 L314 Q465	A225-L228 HydrophobicContact CB-CB 4.03Å; A225-L228 HydrophobicContact CB-CD1 4.09Å; A225-L228 HydrophobicContact CB-CG 4.29Å; A225-L228 CarbonylContact O-C 3.54Å; A225-L228 WeakPolarHBondContact O-CA 3.32Å; A225-L228 WeakPolarHBondContact O-CB 3.39Å; A225-L228 PolarHBondContact O-N 3.47Å; P226-L228 PolarHBondContact O-N 2.86Å; L228-R239 PolarHBondContact O-NH1 3.3Å; L228-E243 HydrophobicContact CD1-CB 4.05Å; L228-E243 WeakPolarHBondContact CD1-OE2 3.43Å; L228-L314 WeakPolarHBondContact O-CD2 3.25Å; L228-Q465 HydrophobicContact CD1-CB 4.03Å; L228-Q465 HydrophobicContact CD2-CB 4.21Å; L228-Q465 HydrophobicContact CD2-CG 4Å; L228-Q465 HydrophobicContact CG-CB 4.34Å; L228-Q465 HydrophobicContact CG-CG 4.39Å
229	A	97.9	Very high	98.2	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	5%	0.054	C	C	.	.	S	Bend	trans	-140.8	167.7	-178.4	0	0	0	0	0	111.2	A225 P226 E231 M235	A225-A229 PolarHBondContact O-N 3.29Å; P226-A229 CarbonylContact C-O 3.37Å; P226-A229 VanDerWaalsContact CA-O 3.23Å; P226-A229 WeakPolarHBondContact CA-O 3.38Å; P226-A229 VanDerWaalsContact O-O 3.08Å; A229-E231 PolarHBondContact O-N 3.19Å; A229-M235 HydrophobicContact CB-CB 4.3Å; A229-M235 HydrophobicContact CB-CE 4.18Å; A229-M235 HydrophobicContact CB-CG 3.8Å; A229-M235 HydrophobicContact CB-SD 4.1Å
230	P	98.1	Very high	98.1	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	5%	0.052	C	C	.	.			trans	-58.9	127.6	175.7	-13.8	25.4	0	0	0	110.7	T233 S236 W301 F302 A322 Q325	P230-T233 HydrophobicContact CB-CG2 3.98Å; P230-T233 WeakPolarHBondContact O-CB 3.07Å; P230-T233 WeakPolarHBondContact O-CG2 3.25Å; P230-T233 PolarHBondContact O-OG1 3.16Å; P230-S236 VanDerWaalsContact O-CB 3.28Å; P230-S236 WeakPolarHBondContact O-CB 3.28Å; P230-W301 HydrophobicContact CB-CZ2 4.43Å; P230-F302 HydrophobicContact CB-CB 3.83Å; P230-F302 HydrophobicContact CB-CG 4.22Å; P230-F302 HydrophobicContact CG-CB 3.73Å; P230-F302 HydrophobicContact CG-CD1 4.13Å; P230-F302 HydrophobicContact CG-CG 3.96Å; P230-A322 HydrophobicContact CG-CB 4.15Å; P230-Q325 HydrophobicContact CG-CG 4.21Å
231	E	98.1	Very high	98.1	Very high	11 Å²	11	11.7 Å²	11.7	5%	0.051	6%	0.057	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	150.9	-176.6	74.9	-169	-110.4	0	0	113.5	R223 P226 A229 T233 R274 T275 W301	R223-E231 HydrophobicContact CB-CB 3.91Å; R223-E231 WeakPolarHBondContact CD-OE1 3.23Å; R223-E231 IonicContact CZ-OE1 3.74Å; R223-E231 IonicContact NE-OE1 3.85Å; R223-E231 IonicContact NH1-OE1 2.83Å; R223-E231 PolarHBondContact NH1-OE1 2.86Å; P226-E231 HydrophobicContact CB-CB 3.86Å; A229-E231 PolarHBondContact O-N 3.19Å; E231-T233 PolarHBondContact O-N 3.4Å; E231-R274 VanDerWaalsContact CD-NH1 3.31Å; E231-R274 IonicContact OE1-CZ 2.69Å; E231-R274 IonicContact OE1-NH1 3.77Å; E231-R274 PolarHBondContact OE1-NH1 3.45Å; E231-R274 IonicContact OE1-NH2 2.84Å; E231-R274 PolarHBondContact OE1-NH2 2.92Å; E231-R274 IonicContact OE2-CZ 2.76Å; E231-R274 IonicContact OE2-NH1 3.94Å; E231-R274 PolarHBondContact OE2-NH1 2.9Å; E231-R274 IonicContact OE2-NH2 3.71Å; E231-T275 HydrophobicContact CG-CG2 4.26Å; E231-W301 HydrophobicContact CG-CH2 4.48Å; E231-W301 HydrophobicContact CG-CZ2 4.06Å
232	N	98.4	Very high	98	Very high	8 Å²	8	16.6 Å²	16.6	4%	0.043	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	52	37.7	178.9	-73.7	-30.4	0	0	0	113.7	R223 T251 D252 L263 H265 P328	R223-N232 WeakPolarHBondContact CA-OD1 3.42Å; R223-N232 WeakPolarHBondContact CB-OD1 3.27Å; R223-N232 PolarHBondContact O-N 3.11Å; R223-N232 VanDerWaalsContact O-N 3.08Å; N232-T251 PolarHBondContact OD1-OG1 3.24Å; N232-D252 PolarHBondContact ND2-OD2 3.27Å; N232-L263 HydrophobicContact CB-CB 4.24Å; N232-H265 PolarHBondContact ND2-N 3.05Å; N232-P328 WeakPolarHBondContact O-CD 3.33Å; N232-P328 WeakPolarHBondContact O-CG 3.49Å
233	T	98.8	Very high	97.8	Very high	1 Å²	1	19.8 Å²	19.8	1%	0.006	10%	0.102	C	C	.	.	S	Bend	trans	-121.9	156.6	172.6	67.2	0	0	0	0	111.4	P230 E231 M235 S236 F237 A298 Q325	P230-T233 HydrophobicContact CB-CG2 3.98Å; P230-T233 WeakPolarHBondContact O-CB 3.07Å; P230-T233 WeakPolarHBondContact O-CG2 3.25Å; P230-T233 PolarHBondContact O-OG1 3.16Å; E231-T233 PolarHBondContact O-N 3.4Å; T233-M235 PolarHBondContact O-N 3.19Å; T233-S236 WeakPolarHBondContact O-CA 3.44Å; T233-S236 VanDerWaalsContact O-CB 3.23Å; T233-S236 WeakPolarHBondContact O-CB 3.39Å; T233-S236 PolarHBondContact O-N 3.17Å; T233-S236 PolarHBondContact OG1-N 2.99Å; T233-F237 WeakPolarHBondContact O-CD2 3.46Å; T233-F237 PolarHBondContact O-N 3.15Å; T233-A298 HydrophobicContact CG2-CB 4.28Å; T233-Q325 HydrophobicContact CG2-CB 3.66Å; T233-Q325 HydrophobicContact CG2-CG 4.1Å
234	M	98.6	Very high	97.7	Very high	42 Å²	42	19.5 Å²	19.5	21%	0.207	10%	0.101	C	C	.	.	H	α-helix	trans	-57.7	-36.6	178.3	-65.2	-47.9	-63.3	0	0	112.6	S236 F237 E238 P328 D332 L336	M234-S236 VanDerWaalsContact C-N 3.32Å; M234-S236 PolarHBondContact O-N 3.05Å; M234-F237 PolarHBondContact O-N 2.8Å; M234-E238 WeakPolarHBondContact O-CB 3.38Å; M234-E238 WeakPolarHBondContact O-CG 3.29Å; M234-E238 PolarHBondContact O-N 3.14Å; M234-P328 HydrophobicContact CG-CB 4.15Å; M234-P328 HydrophobicContact SD-CB 3.94Å; M234-D332 HydrophobicContact CE-CB 4.24Å; M234-D332 WeakPolarHBondContact CE-O 3.35Å; M234-D332 HydrophobicContact CG-CB 4.43Å; M234-D332 HydrophobicContact SD-CB 3.68Å; M234-L336 HydrophobicContact CE-CB 3.83Å; M234-L336 HydrophobicContact CE-CD2 3.8Å; M234-L336 HydrophobicContact CE-CG 4.3Å
235	M	98.3	Very high	97.6	Very high	10 Å²	10	24.7 Å²	24.7	5%	0.049	13%	0.129	C	C	.	.	H	α-helix	trans	-61.7	-38.7	173.3	-176.9	-176.7	172.1	0	0	112.4	A229 T233 R239 Q318 T321 A322 Q325	A229-M235 HydrophobicContact CB-CB 4.3Å; A229-M235 HydrophobicContact CB-CE 4.18Å; A229-M235 HydrophobicContact CB-CG 3.8Å; A229-M235 HydrophobicContact CB-SD 4.1Å; T233-M235 PolarHBondContact O-N 3.19Å; M235-R239 HydrophobicContact CG-CG 4.38Å; M235-R239 VanDerWaalsContact O-CB 3.32Å; M235-R239 WeakPolarHBondContact O-CB 3.32Å; M235-R239 VanDerWaalsContact O-CG 3.22Å; M235-R239 WeakPolarHBondContact O-CG 3.23Å; M235-R239 PolarHBondContact O-N 3.21Å; M235-Q318 HydrophobicContact CE-CB 4.15Å; M235-Q318 WeakPolarHBondContact CE-O 3.24Å; M235-T321 HydrophobicContact CG-CG2 4.24Å; M235-T321 HydrophobicContact SD-CG2 3.73Å; M235-A322 HydrophobicContact CE-CB 4.14Å; M235-A322 VanDerWaalsContact SD-CA 3.55Å; M235-A322 HydrophobicContact SD-CB 3.8Å; M235-A322 PolarHBondContact SD-N 3.14Å; M235-A322 VanDerWaalsContact SD-N 3.45Å; M235-Q325 VanDerWaalsContact CB-CD 3.44Å; M235-Q325 HydrophobicContact CB-CG 4.12Å; M235-Q325 VanDerWaalsContact CB-OE1 3.27Å
236	S	98.7	Very high	97.6	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-61.7	-47.3	177.5	-166.5	0	0	0	0	111.6	R223 G224 A225 P230 T233 M234 R239 S240	R223-S236 PolarHBondContact O-OG 3.04Å; G224-S236 WeakPolarHBondContact CA-OG 3.35Å; A225-S236 PolarHBondContact N-O 2.79Å; A225-S236 VanDerWaalsContact N-O 3.17Å; A225-S236 PolarHBondContact N-OG 3.44Å; P230-S236 VanDerWaalsContact O-CB 3.28Å; P230-S236 WeakPolarHBondContact O-CB 3.28Å; T233-S236 WeakPolarHBondContact O-CA 3.44Å; T233-S236 VanDerWaalsContact O-CB 3.23Å; T233-S236 WeakPolarHBondContact O-CB 3.39Å; T233-S236 PolarHBondContact O-N 3.17Å; T233-S236 PolarHBondContact OG1-N 2.99Å; M234-S236 VanDerWaalsContact C-N 3.32Å; M234-S236 PolarHBondContact O-N 3.05Å; S236-R239 PolarHBondContact O-N 3.24Å; S236-S240 PolarHBondContact O-N 2.71Å
237	F	98.8	Very high	97.7	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-68.3	-44.4	178.8	-61.3	-68.2	0	0	0	112.2	T233 M234 R239 S240 V241 F249 L263 L333 L336	T233-F237 WeakPolarHBondContact O-CD2 3.46Å; T233-F237 PolarHBondContact O-N 3.15Å; M234-F237 PolarHBondContact O-N 2.8Å; F237-R239 VanDerWaalsContact C-N 3.27Å; F237-R239 PolarHBondContact O-N 3.01Å; F237-S240 PolarHBondContact O-N 3.43Å; F237-S240 PolarHBondContact O-OG 3.36Å; F237-V241 WeakPolarHBondContact O-CG2 3.02Å; F237-V241 PolarHBondContact O-N 3.28Å; F237-F249 HydrophobicContact CB-CD1 4.41Å; F237-F249 HydrophobicContact CB-CE1 4.19Å; F237-F249 HydrophobicContact CB-CZ 4.32Å; F237-F249 HydrophobicContact CD1-CB 3.98Å; F237-F249 AromaticContact CD1-CD1 3.88Å; F237-F249 HydrophobicContact CD1-CD1 3.88Å; F237-F249 HydrophobicContact CD1-CE1 4.49Å; F237-F249 AromaticContact CD1-CG 3.91Å; F237-F249 HydrophobicContact CD1-CG 3.91Å; F237-F249 HydrophobicContact CE1-CB 4.15Å; F237-L263 HydrophobicContact CE2-CD1 3.58Å; F237-L263 HydrophobicContact CZ-CD1 3.87Å; F237-L333 HydrophobicContact CB-CD1 4Å; F237-L333 HydrophobicContact CD1-CD1 3.65Å; F237-L333 HydrophobicContact CD2-CD1 3.7Å; F237-L333 HydrophobicContact CE1-CD1 3.99Å; F237-L333 HydrophobicContact CE1-CD2 4.1Å; F237-L333 HydrophobicContact CE2-CD1 4.05Å; F237-L333 HydrophobicContact CE2-CD2 4.34Å; F237-L333 HydrophobicContact CG-CD1 3.51Å; F237-L333 HydrophobicContact CZ-CD1 4.19Å; F237-L333 HydrophobicContact CZ-CD2 3.98Å; F237-L336 HydrophobicContact CB-CD2 3.54Å
238	E	98.5	Very high	97.8	Very high	90 Å²	90	28.5 Å²	28.5	42%	0.421	15%	0.145	S	C	.	.	H	α-helix	trans	-60.2	-38.6	176.7	-74.9	-179.7	176.1	0	0	112.2	M234 V241 T242 L336	M234-E238 WeakPolarHBondContact O-CB 3.38Å; M234-E238 WeakPolarHBondContact O-CG 3.29Å; M234-E238 PolarHBondContact O-N 3.14Å; E238-V241 PolarHBondContact O-N 3.23Å; E238-T242 WeakPolarHBondContact O-CB 3.49Å; E238-T242 WeakPolarHBondContact O-CG2 3.01Å; E238-T242 PolarHBondContact O-N 3.09Å; E238-T242 PolarHBondContact O-OG1 3.27Å; E238-L336 HydrophobicContact CG-CD1 3.95Å; E238-L336 HydrophobicContact CG-CD2 4.11Å
239	R	97.9	Very high	97.9	Very high	18 Å²	18	28 Å²	28	7%	0.068	14%	0.142	C	C	.	.	H	α-helix	trans	-71.9	-35.1	177.8	-71.9	-169	74	-175.5	-0.1	112.9	A225 L228 M235 S236 F237 V241 T242 E243	A225-R239 HydrophobicContact CB-CB 4.49Å; L228-R239 PolarHBondContact O-NH1 3.3Å; M235-R239 HydrophobicContact CG-CG 4.38Å; M235-R239 VanDerWaalsContact O-CB 3.32Å; M235-R239 WeakPolarHBondContact O-CB 3.32Å; M235-R239 VanDerWaalsContact O-CG 3.22Å; M235-R239 WeakPolarHBondContact O-CG 3.23Å; M235-R239 PolarHBondContact O-N 3.21Å; S236-R239 PolarHBondContact O-N 3.24Å; F237-R239 VanDerWaalsContact C-N 3.27Å; F237-R239 PolarHBondContact O-N 3.01Å; R239-V241 PolarHBondContact O-N 3.03Å; R239-T242 WeakPolarHBondContact CA-OG1 3.5Å; R239-T242 PolarHBondContact O-N 3.49Å; R239-E243 IonicContact CZ-OE1 3.97Å; R239-E243 IonicContact CZ-OE2 2.68Å; R239-E243 IonicContact NE-OE1 3.67Å; R239-E243 PolarHBondContact NE-OE1 3.09Å; R239-E243 IonicContact NE-OE2 2.82Å; R239-E243 IonicContact NH2-OE1 3.43Å; R239-E243 PolarHBondContact NH2-OE1 3.2Å; R239-E243 IonicContact NH2-OE2 3.78Å; R239-E243 PolarHBondContact NH2-OE2 3.5Å; R239-E243 WeakPolarHBondContact O-CB 3.5Å; R239-E243 PolarHBondContact O-N 3.33Å
240	S	98.3	Very high	97.9	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-63.3	-34.4	175	74.2	0	0	0	0	111.6	G224 S236 F237 C244 N245 V246 F249	G224-S240 WeakPolarHBondContact O-CB 3.45Å; S236-S240 PolarHBondContact O-N 2.71Å; F237-S240 PolarHBondContact O-N 3.43Å; F237-S240 PolarHBondContact O-OG 3.36Å; S240-C244 CarbonylContact O-C 3.56Å; S240-C244 WeakPolarHBondContact O-CA 3.47Å; S240-C244 VanDerWaalsContact O-CB 3.23Å; S240-C244 WeakPolarHBondContact O-CB 3.37Å; S240-C244 PolarHBondContact O-N 2.75Å; S240-N245 PolarHBondContact O-N 3Å; S240-N245 VanDerWaalsContact O-N 3.16Å; S240-V246 PolarHBondContact O-N 3.33Å; S240-V246 WeakPolarHBondContact OG-CG2 3.17Å; S240-F249 WeakPolarHBondContact OG-CE1 3.39Å
241	V	97.4	Very high	97.9	Very high	26 Å²	26	28.9 Å²	28.9	16%	0.158	15%	0.147	C	C	.	.	H	α-helix	trans	-67.4	-57.1	171.3	-174.4	0	0	0	0	111.4	F237 E238 R239 E243 N245 F249 H340 I342	F237-V241 WeakPolarHBondContact O-CG2 3.02Å; F237-V241 PolarHBondContact O-N 3.28Å; E238-V241 PolarHBondContact O-N 3.23Å; R239-V241 PolarHBondContact O-N 3.03Å; V241-E243 PolarHBondContact O-N 2.87Å; V241-N245 WeakPolarHBondContact O-CA 3.34Å; V241-N245 PolarHBondContact O-N 3.18Å; V241-N245 VanDerWaalsContact O-N 3.11Å; V241-F249 HydrophobicContact CG2-CE1 3.46Å; V241-F249 VanDerWaalsContact CG2-CE1 3.46Å; V241-F249 HydrophobicContact CG2-CZ 3.32Å; V241-H340 HydrophobicContact CG1-CB 4.45Å; V241-I342 HydrophobicContact CB-CD1 4.11Å; V241-I342 HydrophobicContact CG1-CD1 3.86Å; V241-I342 HydrophobicContact CG2-CD1 3.26Å
242	T	95.9	Very high	97.9	Very high	103 Å²	103	28.4 Å²	28.4	63%	0.632	14%	0.144	S	C	*	.	H	α-helix	trans	-74.9	-28.4	-165.5	51.2	0	0	0	0	113.5	E238 R239	E238-T242 WeakPolarHBondContact O-CB 3.49Å; E238-T242 WeakPolarHBondContact O-CG2 3.01Å; E238-T242 PolarHBondContact O-N 3.09Å; E238-T242 PolarHBondContact O-OG1 3.27Å; R239-T242 WeakPolarHBondContact CA-OG1 3.5Å; R239-T242 PolarHBondContact O-N 3.49Å
243	E	95.8	Very high	97.9	Very high	77 Å²	77	28 Å²	28	36%	0.36	14%	0.142	S	C	.	.	H	α-helix	trans	-109.8	-21.3	-176.6	-62.1	-175.2	-143.6	0	0	113.9	L228 R239 V241	L228-E243 HydrophobicContact CD1-CB 4.05Å; L228-E243 WeakPolarHBondContact CD1-OE2 3.43Å; R239-E243 IonicContact CZ-OE1 3.97Å; R239-E243 IonicContact CZ-OE2 2.68Å; R239-E243 IonicContact NE-OE1 3.67Å; R239-E243 PolarHBondContact NE-OE1 3.09Å; R239-E243 IonicContact NE-OE2 2.82Å; R239-E243 IonicContact NH2-OE1 3.43Å; R239-E243 PolarHBondContact NH2-OE1 3.2Å; R239-E243 IonicContact NH2-OE2 3.78Å; R239-E243 PolarHBondContact NH2-OE2 3.5Å; R239-E243 WeakPolarHBondContact O-CB 3.5Å; R239-E243 PolarHBondContact O-N 3.33Å; V241-E243 PolarHBondContact O-N 2.87Å
244	C	96.4	Very high	97.7	Very high	3 Å²	3	28.3 Å²	28.3	2%	0.02	14%	0.144	C	C	.	.	H	α-helix	trans	-119.1	-14.8	-175.5	-56.1	0	0	0	0	114.8	S240 V246 C464 Q465 S468	S240-C244 CarbonylContact O-C 3.56Å; S240-C244 WeakPolarHBondContact O-CA 3.47Å; S240-C244 VanDerWaalsContact O-CB 3.23Å; S240-C244 WeakPolarHBondContact O-CB 3.37Å; S240-C244 PolarHBondContact O-N 2.75Å; C244-V246 VanDerWaalsContact C-N 3.26Å; C244-V246 HydrophobicContact CB-CG1 3.92Å; C244-V246 PolarHBondContact O-N 3.33Å; C244-C464 HydrophobicContact CB-CB 3.41Å; C244-C464 VanDerWaalsContact CB-CB 3.41Å; C244-C464 WeakPolarHBondContact CB-SG 3.34Å; C244-C464 WeakPolarHBondContact SG-CB 3.25Å; C244-C464 CovalentContact SG-SG 2.05Å; C244-C464 PolarHBondContact SG-SG 3.12Å; C244-Q465 PolarHBondContact SG-N 2.91Å; C244-S468 WeakPolarHBondContact O-CB 3.42Å
245	N	96.1	Very high	97.5	Very high	108 Å²	108	26.7 Å²	26.7	58%	0.578	14%	0.136	S	C	*	.			trans	52.4	44.1	-174.4	-175.2	28.1	0	0	0	112.2	S240 V241 K247	S240-N245 PolarHBondContact O-N 3Å; S240-N245 VanDerWaalsContact O-N 3.16Å; V241-N245 WeakPolarHBondContact O-CA 3.34Å; V241-N245 PolarHBondContact O-N 3.18Å; V241-N245 VanDerWaalsContact O-N 3.11Å; N245-K247 PolarHBondContact OD1-NZ 2.66Å; N245-K247 VanDerWaalsContact OD1-NZ 3.09Å
246	V	98	Very high	97.4	Very high	2 Å²	2	26.2 Å²	26.2	1%	0.012	13%	0.133	C	C	.	.			trans	-61.3	149.2	176.1	-60.3	0	0	0	0	111	L219 S240 C244 F249 C464	L219-V246 HydrophobicContact CB-CG1 4.33Å; L219-V246 CarbonylContact O-C 3.54Å; L219-V246 VanDerWaalsContact O-CA 3.27Å; L219-V246 WeakPolarHBondContact O-CA 3.3Å; L219-V246 WeakPolarHBondContact O-CB 3.18Å; S240-V246 PolarHBondContact O-N 3.33Å; S240-V246 WeakPolarHBondContact OG-CG2 3.17Å; C244-V246 VanDerWaalsContact C-N 3.26Å; C244-V246 HydrophobicContact CB-CG1 3.92Å; C244-V246 PolarHBondContact O-N 3.33Å; V246-F249 HydrophobicContact CG2-CD1 4.03Å; V246-F249 HydrophobicContact CG2-CE1 3.93Å; V246-C464 HydrophobicContact CG1-CB 4.23Å
247	K	98.2	Very high	97.1	Very high	86 Å²	86	31.8 Å²	31.8	37%	0.374	16%	0.158	S	C	.	.	S	Bend	trans	-96	-22.9	178.3	-59.5	-49	-176.9	-167.3	0	113.2	D218 L219 N245 S343	D218-K247 HydrophobicContact CB-CB 4.33Å; D218-K247 HydrophobicContact CB-CG 3.9Å; L219-K247 PolarHBondContact O-N 2.85Å; N245-K247 PolarHBondContact OD1-NZ 2.66Å; N245-K247 VanDerWaalsContact OD1-NZ 3.09Å; K247-S343 PolarHBondContact O-N 2.96Å
248	V	98.7	Very high	97	Very high	2 Å²	2	35 Å²	35	1%	0.012	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	135.8	-178.3	-170.7	0	0	0	0	108.8	W220 G221 S343 I345	W220-V248 WeakPolarHBondContact CA-O 3.23Å; W220-V248 HydrophobicContact CB-CB 4.1Å; W220-V248 HydrophobicContact CD2-CB 3.71Å; W220-V248 HydrophobicContact CD2-CG1 4.12Å; W220-V248 HydrophobicContact CD2-CG2 3.73Å; W220-V248 HydrophobicContact CE3-CB 4.32Å; W220-V248 HydrophobicContact CE3-CG1 4.24Å; W220-V248 HydrophobicContact CG-CB 3.59Å; W220-V248 HydrophobicContact CG-CG1 4.41Å; W220-V248 HydrophobicContact CG-CG2 3.82Å; W220-V248 HydrophobicContact CZ2-CG2 3.95Å; W220-V248 VanDerWaalsContact NE1-CG2 3.26Å; G221-V248 PolarHBondContact N-O 2.84Å; V248-S343 CarbonylContact C-O 3.59Å; V248-S343 VanDerWaalsContact CA-O 3.23Å; V248-S343 WeakPolarHBondContact CA-O 3.31Å; V248-I345 HydrophobicContact CG1-CB 4.03Å; V248-I345 HydrophobicContact CG1-CG2 3.64Å
249	F	98.8	Very high	96.8	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	121.3	162	-60.2	-40.5	0	0	0	108.4	F237 S240 V241 V246 L333 L336 A337 I342 S343 I344 I345	F237-F249 HydrophobicContact CB-CD1 4.41Å; F237-F249 HydrophobicContact CB-CE1 4.19Å; F237-F249 HydrophobicContact CB-CZ 4.32Å; F237-F249 HydrophobicContact CD1-CB 3.98Å; F237-F249 AromaticContact CD1-CD1 3.88Å; F237-F249 HydrophobicContact CD1-CD1 3.88Å; F237-F249 HydrophobicContact CD1-CE1 4.49Å; F237-F249 AromaticContact CD1-CG 3.91Å; F237-F249 HydrophobicContact CD1-CG 3.91Å; F237-F249 HydrophobicContact CE1-CB 4.15Å; S240-F249 WeakPolarHBondContact OG-CE1 3.39Å; V241-F249 HydrophobicContact CG2-CE1 3.46Å; V241-F249 VanDerWaalsContact CG2-CE1 3.46Å; V241-F249 HydrophobicContact CG2-CZ 3.32Å; V246-F249 HydrophobicContact CG2-CD1 4.03Å; V246-F249 HydrophobicContact CG2-CE1 3.93Å; F249-L333 HydrophobicContact CB-CD1 4.23Å; F249-L333 HydrophobicContact CB-CD2 4.49Å; F249-L333 HydrophobicContact CD2-CD1 3.49Å; F249-L333 VanDerWaalsContact CD2-CD1 3.49Å; F249-L333 HydrophobicContact CD2-CG 4.32Å; F249-L333 HydrophobicContact CE2-CD1 3.98Å; F249-L333 HydrophobicContact CG-CD1 4Å; F249-L336 HydrophobicContact CE2-CD2 4Å; F249-L336 HydrophobicContact CE2-CG 4.16Å; F249-L336 HydrophobicContact CZ-CD2 3.91Å; F249-L336 HydrophobicContact CZ-CG 4.28Å; F249-A337 HydrophobicContact CD2-CB 4.23Å; F249-A337 HydrophobicContact CE2-CB 4.22Å; F249-I342 HydrophobicContact CD1-CG2 3.95Å; F249-I342 HydrophobicContact CD2-CB 4.44Å; F249-I342 HydrophobicContact CD2-CG2 3.66Å; F249-I342 HydrophobicContact CE1-CD1 4.05Å; F249-I342 HydrophobicContact CE1-CG2 3.97Å; F249-I342 HydrophobicContact CE2-CB 4.07Å; F249-I342 HydrophobicContact CE2-CD1 4.38Å; F249-I342 HydrophobicContact CE2-CG2 3.68Å; F249-I342 HydrophobicContact CG-CG2 3.81Å; F249-I342 HydrophobicContact CZ-CB 4.26Å; F249-I342 HydrophobicContact CZ-CD1 3.74Å; F249-I342 HydrophobicContact CZ-CG2 3.85Å; F249-S343 PolarHBondContact N-O 3.25Å; F249-I344 HydrophobicContact CB-CG1 4.39Å; F249-I344 HydrophobicContact CD2-CG1 4.26Å; F249-I344 WeakPolarHBondContact O-CA 3.33Å; F249-I345 PolarHBondContact O-N 3.34Å
250	E	98.6	Very high	96.7	Very high	19 Å²	19	35.7 Å²	35.7	9%	0.089	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	139.4	167.8	-175.5	-83	-174.2	0	0	108.3	G221 H222 R223 I345 T460	G221-E250 PolarHBondContact O-N 3Å; H222-E250 VanDerWaalsContact CA-OE2 3.26Å; H222-E250 WeakPolarHBondContact CA-OE2 3.46Å; H222-E250 VanDerWaalsContact CD2-CD 3.44Å; H222-E250 IonicContact CD2-OE1 3.04Å; H222-E250 PolarHBondContact CD2-OE1 2.87Å; H222-E250 IonicContact CD2-OE2 3.44Å; H222-E250 PolarHBondContact CD2-OE2 2.97Å; H222-E250 IonicContact CG-OE2 3.61Å; H222-E250 IonicContact NE2-OE1 2.79Å; H222-E250 IonicContact NE2-OE2 3.72Å; R223-E250 WeakPolarHBondContact CA-O 3.39Å; R223-E250 PolarHBondContact N-O 3.39Å; R223-E250 PolarHBondContact N-OE2 3.39Å; E250-I345 WeakPolarHBondContact CA-O 3.34Å; E250-I345 HydrophobicContact CB-CG2 3.64Å; E250-I345 HydrophobicContact CG-CG2 3.73Å; E250-T460 HydrophobicContact CB-CG2 4.14Å; E250-T460 HydrophobicContact CG-CG2 4.05Å
251	T	98.5	Very high	96.7	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	169.9	-177.3	-171.1	0	0	0	0	110.9	N232 V253 L263 L333 I344 I345 F346 D347	N232-T251 PolarHBondContact OD1-OG1 3.24Å; T251-V253 HydrophobicContact CG2-CG2 4.38Å; T251-L263 HydrophobicContact CG2-CD2 4.03Å; T251-L333 HydrophobicContact CG2-CD2 3.66Å; T251-I344 HydrophobicContact CG2-CG2 4.35Å; T251-I345 PolarHBondContact N-O 3.34Å; T251-F346 HydrophobicContact CG2-CB 3.7Å; T251-F346 WeakPolarHBondContact O-CA 3.17Å; T251-F346 WeakPolarHBondContact O-CB 3.47Å; T251-D347 PolarHBondContact O-N 2.8Å; T251-D347 VanDerWaalsContact O-N 3.16Å
252	D	97.6	Very high	96.7	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.005	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	129.9	175.8	-48.1	-84.6	0	0	0	110.2	R223 N232 L263 M264 H265 Y349	R223-D252 IonicContact NE-OD2 3.1Å; R223-D252 PolarHBondContact NE-OD2 3.19Å; N232-D252 PolarHBondContact ND2-OD2 3.27Å; D252-L263 CarbonylContact O-C 3.56Å; D252-L263 VanDerWaalsContact O-CA 3.25Å; D252-L263 WeakPolarHBondContact O-CA 3.14Å; D252-M264 VanDerWaalsContact CB-O 3.24Å; D252-M264 WeakPolarHBondContact CB-O 3.46Å; D252-M264 PolarHBondContact O-N 3.31Å; D252-H265 HydrophobicContact CB-CB 4.39Å; D252-H265 VanDerWaalsContact CG-CA 3.49Å; D252-H265 IonicContact OD1-CD2 2.96Å; D252-H265 PolarHBondContact OD1-CD2 3.1Å; D252-H265 WeakPolarHBondContact OD2-CA 3.41Å; D252-H265 VanDerWaalsContact OD2-CB 3.25Å; D252-H265 WeakPolarHBondContact OD2-CB 3.38Å; D252-H265 IonicContact OD2-CD2 2.79Å; D252-H265 IonicContact OD2-CG 2.67Å; D252-Y349 HydrophobicContact CB-CD2 3.99Å; D252-Y349 HydrophobicContact CB-CE2 3.61Å; D252-Y349 WeakPolarHBondContact OD1-CE2 3.06Å; D252-Y349 PolarHBondContact OD1-OH 3.32Å
253	V	97.7	Very high	96.9	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	133.1	-178	178.4	0	0	0	0	110.8	T251 P261 F262 L263 L330 F346 D347 L348 Y349 T363	T251-V253 HydrophobicContact CG2-CG2 4.38Å; V253-P261 HydrophobicContact CG1-CB 3.92Å; V253-F262 WeakPolarHBondContact CA-O 3.39Å; V253-L263 HydrophobicContact CG2-CD2 4Å; V253-L330 HydrophobicContact CG1-CD2 4.44Å; V253-L330 HydrophobicContact CG2-CD1 4.03Å; V253-L330 HydrophobicContact CG2-CD2 4.46Å; V253-F346 HydrophobicContact CB-CD2 4.07Å; V253-F346 HydrophobicContact CG2-CB 3.89Å; V253-F346 HydrophobicContact CG2-CD2 3.67Å; V253-F346 HydrophobicContact CG2-CE2 4.4Å; V253-F346 HydrophobicContact CG2-CG 3.84Å; V253-D347 PolarHBondContact N-O 3.46Å; V253-L348 HydrophobicContact CB-CD1 4.14Å; V253-L348 HydrophobicContact CG1-CD1 3.86Å; V253-Y349 PolarHBondContact O-N 2.94Å; V253-T363 HydrophobicContact CG1-CG2 4.46Å
254	Q	95.4	Very high	96.9	Very high	7 Å²	7	26.4 Å²	26.4	3%	0.033	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	161.3	170.6	-74.5	-179.1	64.8	0	0	110.4	P261 F262 M264 D266 Y349	Q254-P261 CarbonylContact O-C 3.57Å; Q254-P261 WeakPolarHBondContact O-CA 3.47Å; Q254-F262 HydrophobicContact CB-CD1 4.29Å; Q254-F262 HydrophobicContact CB-CE1 3.67Å; Q254-F262 HydrophobicContact CB-CE2 3.96Å; Q254-F262 HydrophobicContact CB-CZ 3.48Å; Q254-F262 VanDerWaalsContact CB-CZ 3.48Å; Q254-F262 HydrophobicContact CG-CZ 4.49Å; Q254-F262 PolarHBondContact N-O 3Å; Q254-F262 VanDerWaalsContact O-CD1 3.29Å; Q254-F262 WeakPolarHBondContact O-CD1 3.45Å; Q254-F262 PolarHBondContact O-N 3.13Å; Q254-M264 PolarHBondContact NE2-O 2.75Å; Q254-D266 PolarHBondContact NE2-O 3.08Å; Q254-Y349 HydrophobicContact CG-CD2 4.45Å
255	L	94.7	Very high	96.9	Very high	8 Å²	8	28 Å²	28	4%	0.042	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	130.2	177.1	-79	-63.9	0	0	0	110.3	P261 G285 N286 L348 D359 D362	L255-P261 HydrophobicContact CD1-CB 4.09Å; L255-P261 HydrophobicContact CD1-CG 3.7Å; L255-G285 CarbonylContact O-C 3.58Å; L255-N286 PolarHBondContact O-N 3.1Å; L255-L348 HydrophobicContact CD2-CD1 3.88Å; L255-D359 HydrophobicContact CD2-CB 3.84Å; L255-D359 HydrophobicContact CG-CB 4.27Å; L255-D362 HydrophobicContact CD1-CB 4.16Å
256	S	94.9	Very high	96.7	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	11%	0.11	C	C	.	.			trans	-70.5	173	172	66.7	0	0	0	0	111.4	D258 R259 I260 G285 V288	S256-D258 VanDerWaalsContact C-N 3.25Å; S256-D258 WeakPolarHBondContact CB-OD1 3.43Å; S256-D258 PolarHBondContact O-N 2.9Å; S256-D258 PolarHBondContact OG-OD1 2.96Å; S256-R259 WeakPolarHBondContact O-CA 3.42Å; S256-R259 PolarHBondContact O-N 2.64Å; S256-R259 PolarHBondContact OG-N 2.73Å; S256-I260 PolarHBondContact N-O 2.99Å; S256-I260 WeakPolarHBondContact OG-CB 3.41Å; S256-I260 PolarHBondContact OG-N 3.2Å; S256-I260 PolarHBondContact OG-O 3.01Å; S256-G285 WeakPolarHBondContact CA-O 3.4Å; S256-V288 WeakPolarHBondContact CB-O 3.07Å
257	K	93.4	Very high	96.3	Very high	117 Å²	117	26.1 Å²	26.1	51%	0.509	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-37.3	175.1	179.2	176.2	160.8	-151.9	0	113	R259 G285 N286 V288 D289	K257-R259 PolarHBondContact O-N 2.85Å; K257-G285 PolarHBondContact N-O 3.32Å; K257-N286 VanDerWaalsContact CA-O 3.32Å; K257-N286 WeakPolarHBondContact CA-O 3.49Å; K257-N286 VanDerWaalsContact CB-O 3.29Å; K257-N286 WeakPolarHBondContact CB-O 3.36Å; K257-V288 WeakPolarHBondContact CB-O 3.48Å; K257-V288 PolarHBondContact N-O 3.41Å; K257-D289 VanDerWaalsContact CD-OD1 3.32Å; K257-D289 WeakPolarHBondContact CD-OD1 3.3Å; K257-D289 IonicContact NZ-OD1 2.75Å; K257-D289 IonicContact NZ-OD2 3.57Å
258	D	95.6	Very high	95.5	Very high	69 Å²	69	27.9 Å²	27.9	37%	0.369	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	14.2	174.7	51.7	-15.4	0	0	0	113.6	S256 I260 M290	S256-D258 VanDerWaalsContact C-N 3.25Å; S256-D258 WeakPolarHBondContact CB-OD1 3.43Å; S256-D258 PolarHBondContact O-N 2.9Å; S256-D258 PolarHBondContact OG-OD1 2.96Å; D258-I260 VanDerWaalsContact C-N 3.28Å; D258-I260 PolarHBondContact O-N 2.96Å; D258-M290 PolarHBondContact OD1-N 2.97Å; D258-M290 PolarHBondContact OD2-N 3.09Å
259	R	94.6	Very high	94.5	Very high	69 Å²	69	30.3 Å²	30.3	26%	0.26	16%	0.156	S	C	.	.			trans	63.6	28	174.1	-50	-62	-65.3	165.1	-3	114.2	S256 K257 D359 D362	S256-R259 WeakPolarHBondContact O-CA 3.42Å; S256-R259 PolarHBondContact O-N 2.64Å; S256-R259 PolarHBondContact OG-N 2.73Å; K257-R259 PolarHBondContact O-N 2.85Å; R259-D359 IonicContact CZ-OD1 3.82Å; R259-D359 IonicContact NH1-OD1 3.03Å; R259-D359 PolarHBondContact NH1-OD1 3.38Å; R259-D359 IonicContact NH2-OD1 2.69Å; R259-D359 PolarHBondContact NH2-OD1 2.93Å; R259-D362 IonicContact CZ-OD2 2.71Å; R259-D362 IonicContact NE-OD2 3.32Å; R259-D362 PolarHBondContact NE-OD2 3.42Å; R259-D362 IonicContact NH2-OD2 3.75Å; R259-D362 PolarHBondContact NH2-OD2 2.88Å
260	I	96.9	Very high	93.9	Very high	52 Å²	52	32.6 Å²	32.6	27%	0.267	17%	0.167	S	C	.	.			trans	-92.4	124.5	174.8	-59.7	175.9	0	0	0	108.4	S256 D258 M290 E329	S256-I260 PolarHBondContact N-O 2.99Å; S256-I260 WeakPolarHBondContact OG-CB 3.41Å; S256-I260 PolarHBondContact OG-N 3.2Å; S256-I260 PolarHBondContact OG-O 3.01Å; D258-I260 VanDerWaalsContact C-N 3.28Å; D258-I260 PolarHBondContact O-N 2.96Å; I260-M290 HydrophobicContact CB-CB 4.08Å; I260-M290 HydrophobicContact CB-CG 4.22Å; I260-M290 HydrophobicContact CD1-CB 3.8Å; I260-M290 HydrophobicContact CD1-CG 4.24Å; I260-M290 HydrophobicContact CG1-CB 4.44Å; I260-M290 HydrophobicContact CG2-CB 4.39Å; I260-M290 HydrophobicContact CG2-CG 3.97Å; I260-M290 HydrophobicContact CG2-SD 4.4Å; I260-E329 HydrophobicContact CG2-CG 4.1Å
261	P	97.7	Very high	93.5	Very high	2 Å²	2	31.8 Å²	31.8	1%	0.013	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	130.3	175.6	-15.2	28	0	0	0	111.6	V253 Q254 L255 L330 E366	V253-P261 HydrophobicContact CG1-CB 3.92Å; Q254-P261 CarbonylContact O-C 3.57Å; Q254-P261 WeakPolarHBondContact O-CA 3.47Å; L255-P261 HydrophobicContact CD1-CB 4.09Å; L255-P261 HydrophobicContact CD1-CG 3.7Å; P261-L330 HydrophobicContact CB-CB 3.76Å; P261-L330 HydrophobicContact CB-CD2 3.89Å; P261-L330 HydrophobicContact CB-CG 4.5Å; P261-L330 HydrophobicContact CG-CD2 4.44Å; P261-L330 PolarHBondContact O-N 3.12Å; P261-E366 HydrophobicContact CG-CB 3.98Å; P261-E366 HydrophobicContact CG-CG 4.2Å
262	F	98.2	Very high	93.3	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	161.6	179.7	72.6	-89.2	0	0	0	111.5	V253 Q254 M264 F271 M290 L293 I327 P328	V253-F262 WeakPolarHBondContact CA-O 3.39Å; Q254-F262 HydrophobicContact CB-CD1 4.29Å; Q254-F262 HydrophobicContact CB-CE1 3.67Å; Q254-F262 HydrophobicContact CB-CE2 3.96Å; Q254-F262 HydrophobicContact CB-CZ 3.48Å; Q254-F262 VanDerWaalsContact CB-CZ 3.48Å; Q254-F262 HydrophobicContact CG-CZ 4.49Å; Q254-F262 PolarHBondContact N-O 3Å; Q254-F262 VanDerWaalsContact O-CD1 3.29Å; Q254-F262 WeakPolarHBondContact O-CD1 3.45Å; Q254-F262 PolarHBondContact O-N 3.13Å; F262-M264 HydrophobicContact CD2-CB 3.97Å; F262-M264 HydrophobicContact CE2-CB 3.56Å; F262-M264 HydrophobicContact CE2-CG 4.36Å; F262-F271 HydrophobicContact CE2-CE2 4.17Å; F262-F271 HydrophobicContact CZ-CE2 4.07Å; F262-F271 HydrophobicContact CZ-CZ 4.42Å; F262-M290 HydrophobicContact CB-CE 4.16Å; F262-M290 HydrophobicContact CB-SD 3.7Å; F262-M290 HydrophobicContact CG-SD 4.33Å; F262-L293 HydrophobicContact CD1-CD1 3.67Å; F262-L293 HydrophobicContact CD2-CD1 4.15Å; F262-L293 HydrophobicContact CE1-CD1 3.57Å; F262-L293 HydrophobicContact CE2-CD1 4.05Å; F262-L293 HydrophobicContact CG-CD1 3.97Å; F262-L293 HydrophobicContact CZ-CD1 3.77Å; F262-I327 HydrophobicContact CB-CG2 4.36Å; F262-I327 HydrophobicContact CD2-CG2 3.73Å; F262-I327 HydrophobicContact CG-CG2 4.44Å; F262-P328 WeakPolarHBondContact CA-O 3.47Å
263	L	98.4	Very high	93.1	Very high	2 Å²	2	35 Å²	35	1%	0.01	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	120.2	-174.2	-46.3	-175.1	0	0	0	111.9	N232 F237 T251 D252 V253 P328 L330 L333	N232-L263 HydrophobicContact CB-CB 4.24Å; F237-L263 HydrophobicContact CE2-CD1 3.58Å; F237-L263 HydrophobicContact CZ-CD1 3.87Å; T251-L263 HydrophobicContact CG2-CD2 4.03Å; D252-L263 CarbonylContact O-C 3.56Å; D252-L263 VanDerWaalsContact O-CA 3.25Å; D252-L263 WeakPolarHBondContact O-CA 3.14Å; V253-L263 HydrophobicContact CG2-CD2 4Å; L263-P328 HydrophobicContact CB-CG 3.87Å; L263-P328 HydrophobicContact CD1-CB 4.41Å; L263-P328 HydrophobicContact CD1-CG 3.69Å; L263-P328 HydrophobicContact CG-CG 3.88Å; L263-P328 PolarHBondContact N-O 2.79Å; L263-L330 HydrophobicContact CD2-CB 4.32Å; L263-L330 HydrophobicContact CD2-CD1 4.02Å; L263-L333 HydrophobicContact CD1-CB 3.89Å; L263-L333 HydrophobicContact CD1-CD2 3.74Å; L263-L333 HydrophobicContact CD1-CG 4.37Å
264	M	96.7	Very high	92.9	Very high	8 Å²	8	35.5 Å²	35.5	4%	0.039	18%	0.178	C	C	.	.			trans	-167.7	128.9	178.2	-177.6	67.5	65.3	0	0	111	D252 Q254 F262 D266 F271 L272 T275 T276 I327	D252-M264 VanDerWaalsContact CB-O 3.24Å; D252-M264 WeakPolarHBondContact CB-O 3.46Å; D252-M264 PolarHBondContact O-N 3.31Å; Q254-M264 PolarHBondContact NE2-O 2.75Å; F262-M264 HydrophobicContact CD2-CB 3.97Å; F262-M264 HydrophobicContact CE2-CB 3.56Å; F262-M264 HydrophobicContact CE2-CG 4.36Å; M264-D266 WeakPolarHBondContact CG-O 3.35Å; M264-F271 HydrophobicContact CG-CD2 3.86Å; M264-F271 HydrophobicContact CG-CE2 4.15Å; M264-L272 HydrophobicContact CE-CD2 3.78Å; M264-T275 PolarHBondContact SD-OG1 2.88Å; M264-T275 VanDerWaalsContact SD-OG1 3.34Å; M264-T276 HydrophobicContact CE-CG2 4.08Å; M264-I327 HydrophobicContact CE-CD1 3.58Å; M264-I327 HydrophobicContact CE-CG1 3.87Å; M264-I327 HydrophobicContact CE-CG2 4.37Å
265	H	95.3	Very high	92.9	Very high	35 Å²	35	35.4 Å²	35.4	16%	0.162	18%	0.179	C	C	.	.	S	Bend	trans	-73.8	-55.2	-179.9	171.9	-100.5	0	0	0	112.8	R223 N232 D252 H267 Y349	R223-H265 VanDerWaalsContact NH1-CG 3.34Å; R223-H265 PolarHBondContact NH2-CD2 3.15Å; R223-H265 PolarHBondContact NH2-CE1 2.87Å; R223-H265 PolarHBondContact NH2-NE2 2.77Å; N232-H265 PolarHBondContact ND2-N 3.05Å; D252-H265 HydrophobicContact CB-CB 4.39Å; D252-H265 VanDerWaalsContact CG-CA 3.49Å; D252-H265 IonicContact OD1-CD2 2.96Å; D252-H265 PolarHBondContact OD1-CD2 3.1Å; D252-H265 WeakPolarHBondContact OD2-CA 3.41Å; D252-H265 VanDerWaalsContact OD2-CB 3.25Å; D252-H265 WeakPolarHBondContact OD2-CB 3.38Å; D252-H265 IonicContact OD2-CD2 2.79Å; D252-H265 IonicContact OD2-CG 2.67Å; H265-H267 PolarHBondContact O-N 3.48Å; H265-H267 PolarHBondContact O-ND1 3.47Å; H265-Y349 WeakPolarHBondContact O-CD2 3.29Å; H265-Y349 WeakPolarHBondContact O-CE2 3.4Å
266	D	92.9	Very high	93	Very high	21 Å²	21	35.8 Å²	35.8	11%	0.112	18%	0.181	C	C	.	.			trans	-66.1	128.7	-176.6	-62.9	4.1	0	0	0	107.7	Q254 M264 F271 R274	Q254-D266 PolarHBondContact NE2-O 3.08Å; M264-D266 WeakPolarHBondContact CG-O 3.35Å; D266-F271 HydrophobicContact CB-CB 4.08Å; D266-F271 WeakPolarHBondContact CB-O 3.44Å; D266-F271 WeakPolarHBondContact O-CB 3.38Å; D266-F271 VanDerWaalsContact O-CD2 3.28Å; D266-F271 WeakPolarHBondContact O-CD2 3.05Å; D266-R274 VanDerWaalsContact CG-NE 3.32Å; D266-R274 IonicContact OD1-CZ 3.06Å; D266-R274 VanDerWaalsContact OD1-CZ 3.32Å; D266-R274 IonicContact OD1-NE 3.31Å; D266-R274 PolarHBondContact OD1-NE 3.44Å; D266-R274 IonicContact OD1-NH2 3.12Å; D266-R274 PolarHBondContact OD1-NH2 3.07Å; D266-R274 WeakPolarHBondContact OD2-CB 3.49Å; D266-R274 IonicContact OD2-CZ 3.99Å; D266-R274 IonicContact OD2-NE 3.73Å; D266-R274 PolarHBondContact OD2-NE 3.28Å; D266-R274 IonicContact OD2-NH2 2.65Å
267	H	88.8	Confident	93.1	Very high	51 Å²	51	39.9 Å²	39.9	24%	0.236	20%	0.203	C	C	.	.			trans	-132.4	-9.5	-173.8	55.5	-83.8	0	0	0	113.3	H265 Y349	H265-H267 PolarHBondContact O-N 3.48Å; H265-H267 PolarHBondContact O-ND1 3.47Å; H267-Y349 HydrophobicContact CB-CD2 3.91Å; H267-Y349 HydrophobicContact CB-CG 3.8Å; H267-Y349 AromaticContact CD2-CD1 3.99Å; H267-Y349 AromaticContact CE1-CD1 3.7Å; H267-Y349 AromaticContact CE1-CE1 3.49Å; H267-Y349 VanDerWaalsContact CE1-CE1 3.49Å; H267-Y349 WeakPolarHBondContact CE1-CE1 3.48Å; H267-Y349 AromaticContact CE1-CZ 3.72Å; H267-Y349 AromaticContact CG-CD1 3.82Å; H267-Y349 AromaticContact CG-CD2 3.85Å; H267-Y349 AromaticContact CG-CG 3.59Å; H267-Y349 AromaticContact ND1-CD1 3.63Å; H267-Y349 AromaticContact ND1-CD2 3.55Å; H267-Y349 AromaticContact ND1-CE1 3.66Å; H267-Y349 AromaticContact ND1-CE2 3.52Å; H267-Y349 AromaticContact ND1-CG 3.6Å; H267-Y349 AromaticContact ND1-CZ 3.61Å; H267-Y349 AromaticContact NE2-CD1 3.93Å
268	E	82.7	Confident	93.1	Very high	122 Å²	122	35.8 Å²	35.8	57%	0.57	19%	0.188	S	C	*	.	S	Bend	trans	-113.1	144.3	176	-62.2	-174.8	175.5	0	0	110.5
269	G	77.6	Confident	92.8	Very high	54 Å²	54	39.1 Å²	39.1	56%	0.557	21%	0.211	S	C	*	.	S	Bend	trans	46.7	98.5	161	0	0	0	0	0	116.7	F271	G269-F271 PolarHBondContact O-N 3.19Å
270	E	85.2	Confident	92.4	Very high	48 Å²	48	42.8 Å²	42.8	22%	0.224	23%	0.231	C	C	.	.	S	Bend	trans	54.9	38.7	-177.2	-49	-161.4	132.1	0	0	112.8	H70 L272 K273 K281 I282	H70-E270 IonicContact CE1-OE2 3.42Å; E270-L272 PolarHBondContact O-N 3.39Å; E270-K273 HydrophobicContact CB-CB 4.15Å; E270-K273 HydrophobicContact CB-CD 4.15Å; E270-K273 WeakPolarHBondContact O-CB 3.3Å; E270-K273 PolarHBondContact O-N 2.97Å; E270-K273 VanDerWaalsContact OE2-CD 3.3Å; E270-K273 WeakPolarHBondContact OE2-CD 3.44Å; E270-K273 IonicContact OE2-NZ 3.93Å; E270-K273 PolarHBondContact OE2-NZ 3.4Å; E270-K281 HydrophobicContact CG-CD 4.36Å; E270-K281 HydrophobicContact CG-CG 4.1Å; E270-K281 WeakPolarHBondContact OE1-CD 3.33Å; E270-I282 WeakPolarHBondContact CA-O 3.16Å
271	F	90.4	Very high	91.9	Very high	1 Å²	1	47.7 Å²	47.7	0%	0.004	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-28.6	-169.5	80.9	-84	0	0	0	115.1	F262 M264 D266 G269 K273 I282 V288 L293	F262-F271 HydrophobicContact CE2-CE2 4.17Å; F262-F271 HydrophobicContact CZ-CE2 4.07Å; F262-F271 HydrophobicContact CZ-CZ 4.42Å; M264-F271 HydrophobicContact CG-CD2 3.86Å; M264-F271 HydrophobicContact CG-CE2 4.15Å; D266-F271 HydrophobicContact CB-CB 4.08Å; D266-F271 WeakPolarHBondContact CB-O 3.44Å; D266-F271 WeakPolarHBondContact O-CB 3.38Å; D266-F271 VanDerWaalsContact O-CD2 3.28Å; D266-F271 WeakPolarHBondContact O-CD2 3.05Å; G269-F271 PolarHBondContact O-N 3.19Å; F271-K273 VanDerWaalsContact C-N 3.29Å; F271-K273 PolarHBondContact O-N 3.05Å; F271-I282 HydrophobicContact CE1-CB 4.4Å; F271-I282 HydrophobicContact CE1-CG2 3.84Å; F271-V288 HydrophobicContact CZ-CG1 4.42Å; F271-L293 HydrophobicContact CZ-CD2 4.41Å
272	L	94.5	Very high	91.4	Very high	2 Å²	2	48.7 Å²	48.7	1%	0.01	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77	-12.3	177.8	-68.5	168.4	0	0	0	113.6	M264 E270 R274 T276 V278 I282 L293 L296 I327	M264-L272 HydrophobicContact CE-CD2 3.78Å; E270-L272 PolarHBondContact O-N 3.39Å; L272-R274 PolarHBondContact O-N 2.85Å; L272-T276 HydrophobicContact CB-CG2 4.38Å; L272-T276 HydrophobicContact CD2-CG2 4.03Å; L272-T276 VanDerWaalsContact O-CB 3.27Å; L272-T276 WeakPolarHBondContact O-CB 3.14Å; L272-T276 WeakPolarHBondContact O-CG2 3.22Å; L272-T276 PolarHBondContact O-N 3.38Å; L272-T276 VanDerWaalsContact O-N 3.12Å; L272-T276 PolarHBondContact O-OG1 3.27Å; L272-V278 HydrophobicContact CB-CB 3.96Å; L272-V278 HydrophobicContact CB-CG1 3.61Å; L272-V278 HydrophobicContact CB-CG2 4.34Å; L272-V278 HydrophobicContact CD1-CG2 4.23Å; L272-I282 HydrophobicContact CD1-CB 4.24Å; L272-I282 HydrophobicContact CD1-CD1 3.84Å; L272-L293 HydrophobicContact CD1-CD2 3.97Å; L272-L293 HydrophobicContact CD2-CD2 3.73Å; L272-L293 HydrophobicContact CG-CD2 4.45Å; L272-L296 HydrophobicContact CD1-CD1 3.83Å; L272-L296 HydrophobicContact CD2-CD1 4.03Å; L272-L296 HydrophobicContact CG-CD1 4.38Å; L272-I327 HydrophobicContact CD2-CD1 3.68Å
273	K	93.7	Very high	90.8	Very high	67 Å²	67	50.3 Å²	50.3	29%	0.291	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-33.6	-165.9	-168.9	179	-173.7	174.6	0	113.8	F66 H70 E270 F271	F66-K273 HydrophobicContact CZ-CB 4.43Å; F66-K273 HydrophobicContact CZ-CD 4.44Å; F66-K273 HydrophobicContact CZ-CG 4.14Å; H70-K273 VanDerWaalsContact CG-NZ 3.3Å; H70-K273 PolarHBondContact ND1-NZ 2.86Å; E270-K273 HydrophobicContact CB-CB 4.15Å; E270-K273 HydrophobicContact CB-CD 4.15Å; E270-K273 WeakPolarHBondContact O-CB 3.3Å; E270-K273 PolarHBondContact O-N 2.97Å; E270-K273 VanDerWaalsContact OE2-CD 3.3Å; E270-K273 WeakPolarHBondContact OE2-CD 3.44Å; E270-K273 IonicContact OE2-NZ 3.93Å; E270-K273 PolarHBondContact OE2-NZ 3.4Å; F271-K273 VanDerWaalsContact C-N 3.29Å; F271-K273 PolarHBondContact O-N 3.05Å
274	R	93.8	Very high	90.3	Very high	10 Å²	10	53.4 Å²	53.4	4%	0.038	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-39	-175.8	-169.5	178.7	58.1	83.8	2.4	112	F66 H72 E231 D266 L272	F66-R274 HydrophobicContact CD1-CB 4.14Å; F66-R274 HydrophobicContact CD1-CG 4.07Å; F66-R274 HydrophobicContact CE1-CB 3.58Å; F66-R274 HydrophobicContact CE1-CG 3.97Å; F66-R274 HydrophobicContact CG-CG 4.46Å; F66-R274 HydrophobicContact CZ-CB 3.9Å; F66-R274 HydrophobicContact CZ-CG 4.27Å; H72-R274 PolarHBondContact CE1-O 3.48Å; H72-R274 PolarHBondContact NE2-O 3.33Å; E231-R274 VanDerWaalsContact CD-NH1 3.31Å; E231-R274 IonicContact OE1-CZ 2.69Å; E231-R274 IonicContact OE1-NH1 3.77Å; E231-R274 PolarHBondContact OE1-NH1 3.45Å; E231-R274 IonicContact OE1-NH2 2.84Å; E231-R274 PolarHBondContact OE1-NH2 2.92Å; E231-R274 IonicContact OE2-CZ 2.76Å; E231-R274 IonicContact OE2-NH1 3.94Å; E231-R274 PolarHBondContact OE2-NH1 2.9Å; E231-R274 IonicContact OE2-NH2 3.71Å; D266-R274 VanDerWaalsContact CG-NE 3.32Å; D266-R274 IonicContact OD1-CZ 3.06Å; D266-R274 VanDerWaalsContact OD1-CZ 3.32Å; D266-R274 IonicContact OD1-NE 3.31Å; D266-R274 PolarHBondContact OD1-NE 3.44Å; D266-R274 IonicContact OD1-NH2 3.12Å; D266-R274 PolarHBondContact OD1-NH2 3.07Å; D266-R274 WeakPolarHBondContact OD2-CB 3.49Å; D266-R274 IonicContact OD2-CZ 3.99Å; D266-R274 IonicContact OD2-NE 3.73Å; D266-R274 PolarHBondContact OD2-NE 3.28Å; D266-R274 IonicContact OD2-NH2 2.65Å; L272-R274 PolarHBondContact O-N 2.85Å
275	T	95.8	Very high	89.8	Confident	6 Å²	6	53.1 Å²	53.1	4%	0.037	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.4	8	-167.6	55.6	0	0	0	0	113.3	E231 M264 A298 W301	E231-T275 HydrophobicContact CG-CG2 4.26Å; M264-T275 PolarHBondContact SD-OG1 2.88Å; M264-T275 VanDerWaalsContact SD-OG1 3.34Å; T275-A298 CarbonylContact O-C 3.58Å; T275-A298 VanDerWaalsContact O-CA 3.23Å; T275-A298 WeakPolarHBondContact O-CA 3.09Å; T275-W301 HydrophobicContact CG2-CH2 4.32Å; T275-W301 HydrophobicContact CG2-CZ2 3.85Å; T275-W301 PolarHBondContact O-NE1 3.08Å
276	T	96.9	Very high	89.4	Confident	15 Å²	15	53.4 Å²	53.4	9%	0.092	28%	0.281	C	S	.	.	S	Bend	trans	-138.3	175	179.5	85.4	0	0	0	0	114	M264 L272 V278 L296 N297 I327	M264-T276 HydrophobicContact CE-CG2 4.08Å; L272-T276 HydrophobicContact CB-CG2 4.38Å; L272-T276 HydrophobicContact CD2-CG2 4.03Å; L272-T276 VanDerWaalsContact O-CB 3.27Å; L272-T276 WeakPolarHBondContact O-CB 3.14Å; L272-T276 WeakPolarHBondContact O-CG2 3.22Å; L272-T276 PolarHBondContact O-N 3.38Å; L272-T276 VanDerWaalsContact O-N 3.12Å; L272-T276 PolarHBondContact O-OG1 3.27Å; T276-V278 VanDerWaalsContact C-N 3.34Å; T276-V278 WeakPolarHBondContact OG1-CB 3.26Å; T276-V278 PolarHBondContact OG1-N 3.46Å; T276-V278 VanDerWaalsContact OG1-N 3.13Å; T276-L296 HydrophobicContact CG2-CD1 4.49Å; T276-N297 CarbonylContact C-O 3.6Å; T276-N297 WeakPolarHBondContact CA-O 3.37Å; T276-I327 HydrophobicContact CG2-CD1 4.03Å; T276-I327 HydrophobicContact CG2-CG1 4.36Å
277	N	95.6	Very high	89.2	Confident	87 Å²	87	57.2 Å²	57.2	47%	0.465	30%	0.298	S	S	.	.			trans	-92.6	21.5	172.8	72.9	-35.5	0	0	0	114.1	L296 N297	N277-L296 WeakPolarHBondContact OD1-CA 3.26Å; N277-N297 HydrophobicContact CB-CB 4.27Å; N277-N297 PolarHBondContact N-O 2.89Å; N277-N297 PolarHBondContact OD1-N 3.39Å
278	V	94.4	Very high	89.4	Confident	31 Å²	31	55.3 Å²	55.3	19%	0.188	29%	0.289	C	S	.	.			trans	-57.6	139.5	179.1	76.4	0	0	0	0	111.1	L272 T276 Q280 I282 L296	L272-V278 HydrophobicContact CB-CB 3.96Å; L272-V278 HydrophobicContact CB-CG1 3.61Å; L272-V278 HydrophobicContact CB-CG2 4.34Å; L272-V278 HydrophobicContact CD1-CG2 4.23Å; T276-V278 VanDerWaalsContact C-N 3.34Å; T276-V278 WeakPolarHBondContact OG1-CB 3.26Å; T276-V278 PolarHBondContact OG1-N 3.46Å; T276-V278 VanDerWaalsContact OG1-N 3.13Å; V278-Q280 WeakPolarHBondContact CG2-O 3.49Å; V278-I282 HydrophobicContact CG2-CD1 4.29Å; V278-L296 HydrophobicContact CB-CD1 4.32Å; V278-L296 HydrophobicContact CB-CD2 4.28Å; V278-L296 HydrophobicContact CG2-CD1 4.44Å; V278-L296 HydrophobicContact CG2-CD2 4.44Å
279	T	88.4	Confident	90	Very high	138 Å²	138	52.1 Å²	52.1	85%	0.847	28%	0.276	S	S	*	.			trans	-112.2	-21.9	174.7	54.7	0	0	0	0	112.7
280	Q	86.4	Confident	90.9	Very high	146 Å²	146	49.7 Å²	49.7	68%	0.682	25%	0.251	S	S	*	.	S	Bend	trans	-89.2	145.7	179.1	-62.3	-179.4	12.7	0	0	110.5	V278 I282	V278-Q280 WeakPolarHBondContact CG2-O 3.49Å; Q280-I282 PolarHBondContact O-N 3.39Å
281	K	86.8	Confident	91.5	Very high	156 Å²	156	51.5 Å²	51.5	68%	0.678	27%	0.269	S	S	*	.			trans	-77.7	107.6	174.4	-175.9	166.4	-173.3	173.9	0	109.4	E270	E270-K281 HydrophobicContact CG-CD 4.36Å; E270-K281 HydrophobicContact CG-CG 4.1Å; E270-K281 WeakPolarHBondContact OE1-CD 3.33Å
282	I	87	Confident	91.8	Very high	22 Å²	22	54.4 Å²	54.4	11%	0.113	29%	0.287	C	S	.	.			trans	-116.4	126.7	173.1	-55.8	173.8	0	0	0	106.4	E270 F271 L272 V278 Q280 E287 V288	E270-I282 WeakPolarHBondContact CA-O 3.16Å; F271-I282 HydrophobicContact CE1-CB 4.4Å; F271-I282 HydrophobicContact CE1-CG2 3.84Å; L272-I282 HydrophobicContact CD1-CB 4.24Å; L272-I282 HydrophobicContact CD1-CD1 3.84Å; V278-I282 HydrophobicContact CG2-CD1 4.29Å; Q280-I282 PolarHBondContact O-N 3.39Å; I282-E287 HydrophobicContact CG2-CB 4.3Å; I282-V288 HydrophobicContact CD1-CB 4.21Å; I282-V288 HydrophobicContact CD1-CG2 4.11Å; I282-V288 HydrophobicContact CG2-CB 4.2Å; I282-V288 HydrophobicContact CG2-CG1 4.08Å
283	S	86.4	Confident	91.9	Very high	35 Å²	35	54.3 Å²	54.3	25%	0.245	29%	0.286	C	S	.	.			trans	-89.4	-36.2	-171.1	-55.7	0	0	0	0	111.7	E287	S283-E287 PolarHBondContact N-OE2 3.44Å; S283-E287 VanDerWaalsContact N-OE2 3.14Å
284	Y	86.9	Confident	92.1	Very high	66 Å²	66	55.2 Å²	55.2	26%	0.259	29%	0.29	S	S	.	.			trans	-142	153.4	-173.2	-53.3	-72.9	0	0	0	112.2	N286 E287 P351	Y284-N286 VanDerWaalsContact C-N 3.27Å; Y284-N286 VanDerWaalsContact CB-OD1 3.26Å; Y284-N286 WeakPolarHBondContact CB-OD1 3.48Å; Y284-N286 PolarHBondContact O-N 2.88Å; Y284-E287 PolarHBondContact O-N 2.87Å; Y284-P351 HydrophobicContact CD1-CB 3.76Å; Y284-P351 HydrophobicContact CD1-CG 4.07Å; Y284-P351 HydrophobicContact CE1-CB 4.2Å; Y284-P351 HydrophobicContact CG-CB 4.11Å; Y284-P351 HydrophobicContact CG-CG 4.23Å
285	G	85.4	Confident	92.2	Very high	2 Å²	2	58.9 Å²	58.9	2%	0.021	32%	0.317	C	S	.	.	G	3₁₀ helix	trans	-58	-36.2	178.8	0	0	0	0	0	114	L255 S256 K257 E287 V288	L255-G285 CarbonylContact O-C 3.58Å; S256-G285 WeakPolarHBondContact CA-O 3.4Å; K257-G285 PolarHBondContact N-O 3.32Å; G285-E287 PolarHBondContact O-N 2.9Å; G285-E287 VanDerWaalsContact O-N 3.13Å; G285-V288 WeakPolarHBondContact O-CG1 3.12Å; G285-V288 PolarHBondContact O-N 3.24Å
286	N	87.4	Confident	92.3	Very high	42 Å²	42	59.5 Å²	59.5	23%	0.225	32%	0.32	C	S	.	.	G	3₁₀ helix	trans	-75.1	2.3	-178.4	68.9	-17	0	0	0	114.7	L255 K257 Y284 C354	L255-N286 PolarHBondContact O-N 3.1Å; K257-N286 VanDerWaalsContact CA-O 3.32Å; K257-N286 WeakPolarHBondContact CA-O 3.49Å; K257-N286 VanDerWaalsContact CB-O 3.29Å; K257-N286 WeakPolarHBondContact CB-O 3.36Å; Y284-N286 VanDerWaalsContact C-N 3.27Å; Y284-N286 VanDerWaalsContact CB-OD1 3.26Å; Y284-N286 WeakPolarHBondContact CB-OD1 3.48Å; Y284-N286 PolarHBondContact O-N 2.88Å; N286-C354 PolarHBondContact ND2-SG 3.4Å
287	E	89.4	Confident	92.4	Very high	101 Å²	101	60.1 Å²	60.1	47%	0.472	32%	0.323	S	S	.	.	G	3₁₀ helix	trans	-95.8	-11.3	175.4	-62.7	-180	160.2	0	0	112.8	I282 S283 Y284 G285	I282-E287 HydrophobicContact CG2-CB 4.3Å; S283-E287 PolarHBondContact N-OE2 3.44Å; S283-E287 VanDerWaalsContact N-OE2 3.14Å; Y284-E287 PolarHBondContact O-N 2.87Å; G285-E287 PolarHBondContact O-N 2.9Å; G285-E287 VanDerWaalsContact O-N 3.13Å
288	V	92.4	Very high	92.5	Very high	10 Å²	10	56.2 Å²	56.2	6%	0.061	30%	0.303	C	S	.	.	S	Bend	trans	-127.8	135.9	-172.6	59.2	0	0	0	0	111.7	S256 K257 F271 I282 G285 T292 L293	S256-V288 WeakPolarHBondContact CB-O 3.07Å; K257-V288 WeakPolarHBondContact CB-O 3.48Å; K257-V288 PolarHBondContact N-O 3.41Å; F271-V288 HydrophobicContact CZ-CG1 4.42Å; I282-V288 HydrophobicContact CD1-CB 4.21Å; I282-V288 HydrophobicContact CD1-CG2 4.11Å; I282-V288 HydrophobicContact CG2-CB 4.2Å; I282-V288 HydrophobicContact CG2-CG1 4.08Å; G285-V288 WeakPolarHBondContact O-CG1 3.12Å; G285-V288 PolarHBondContact O-N 3.24Å; V288-T292 HydrophobicContact CG2-CG2 3.65Å; V288-L293 HydrophobicContact CG1-CD1 4.03Å; V288-L293 HydrophobicContact CG1-CD2 3.62Å; V288-L293 HydrophobicContact CG1-CG 3.78Å; V288-L293 HydrophobicContact CG2-CD2 4.39Å; V288-L293 HydrophobicContact CG2-CG 4.18Å
289	D	95.9	Very high	92.6	Very high	55 Å²	55	54.7 Å²	54.7	29%	0.294	29%	0.294	S	S	.	.			trans	-73.2	148.6	179.3	-58.5	-40.7	0	0	0	110.8	K257 S291 T292 L293	K257-D289 VanDerWaalsContact CD-OD1 3.32Å; K257-D289 WeakPolarHBondContact CD-OD1 3.3Å; K257-D289 IonicContact NZ-OD1 2.75Å; K257-D289 IonicContact NZ-OD2 3.57Å; D289-S291 PolarHBondContact O-N 2.96Å; D289-T292 WeakPolarHBondContact O-CB 3.3Å; D289-T292 PolarHBondContact O-N 3Å; D289-L293 PolarHBondContact O-N 3.29Å
290	M	97.1	Very high	93	Very high	4 Å²	4	53 Å²	53	2%	0.02	27%	0.274	C	S	.	.	H	α-helix	trans	-58.5	-35.1	-177.5	-173.5	60.4	-143.8	0	0	112.8	D258 I260 F262 T292 L293 K294 E329	D258-M290 PolarHBondContact OD1-N 2.97Å; D258-M290 PolarHBondContact OD2-N 3.09Å; I260-M290 HydrophobicContact CB-CB 4.08Å; I260-M290 HydrophobicContact CB-CG 4.22Å; I260-M290 HydrophobicContact CD1-CB 3.8Å; I260-M290 HydrophobicContact CD1-CG 4.24Å; I260-M290 HydrophobicContact CG1-CB 4.44Å; I260-M290 HydrophobicContact CG2-CB 4.39Å; I260-M290 HydrophobicContact CG2-CG 3.97Å; I260-M290 HydrophobicContact CG2-SD 4.4Å; F262-M290 HydrophobicContact CB-CE 4.16Å; F262-M290 HydrophobicContact CB-SD 3.7Å; F262-M290 HydrophobicContact CG-SD 4.33Å; M290-T292 PolarHBondContact O-N 3.07Å; M290-L293 HydrophobicContact CE-CB 4.27Å; M290-L293 PolarHBondContact O-N 3.37Å; M290-L293 HydrophobicContact SD-CB 4.23Å; M290-L293 HydrophobicContact SD-CD1 4.12Å; M290-K294 HydrophobicContact CE-CB 4.11Å; M290-K294 WeakPolarHBondContact O-CB 3.36Å; M290-K294 PolarHBondContact O-N 3.47Å; M290-E329 HydrophobicContact CE-CG 3.55Å; M290-E329 HydrophobicContact CG-CG 4.03Å; M290-E329 HydrophobicContact SD-CG 3.97Å
291	S	97.1	Very high	93.5	Very high	86 Å²	86	46.9 Å²	46.9	60%	0.601	25%	0.245	S	C	*	.	H	α-helix	trans	-58.4	-35.6	175.5	61.7	0	0	0	0	113	D289 S295	D289-S291 PolarHBondContact O-N 2.96Å; S291-S295 PolarHBondContact O-N 3.31Å
292	T	96.4	Very high	94	Very high	62 Å²	62	39.5 Å²	39.5	38%	0.38	21%	0.213	S	C	.	.	H	α-helix	trans	-74.9	-45	176.8	-61.2	0	0	0	0	110.2	V288 D289 M290 K294 S295 L296	V288-T292 HydrophobicContact CG2-CG2 3.65Å; D289-T292 WeakPolarHBondContact O-CB 3.3Å; D289-T292 PolarHBondContact O-N 3Å; M290-T292 PolarHBondContact O-N 3.07Å; T292-K294 VanDerWaalsContact C-N 3.32Å; T292-K294 PolarHBondContact O-N 3.19Å; T292-S295 WeakPolarHBondContact O-CB 3.22Å; T292-S295 PolarHBondContact O-N 2.84Å; T292-S295 VanDerWaalsContact O-N 3.08Å; T292-S295 PolarHBondContact O-OG 3.42Å; T292-L296 PolarHBondContact O-N 2.74Å
293	L	97	Very high	94.4	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-55.6	-46.3	175.2	-70.8	171.5	0	0	0	111.9	F262 F271 L272 V288 D289 M290 S295 L296 I327	F262-L293 HydrophobicContact CD1-CD1 3.67Å; F262-L293 HydrophobicContact CD2-CD1 4.15Å; F262-L293 HydrophobicContact CE1-CD1 3.57Å; F262-L293 HydrophobicContact CE2-CD1 4.05Å; F262-L293 HydrophobicContact CG-CD1 3.97Å; F262-L293 HydrophobicContact CZ-CD1 3.77Å; F271-L293 HydrophobicContact CZ-CD2 4.41Å; L272-L293 HydrophobicContact CD1-CD2 3.97Å; L272-L293 HydrophobicContact CD2-CD2 3.73Å; L272-L293 HydrophobicContact CG-CD2 4.45Å; V288-L293 HydrophobicContact CG1-CD1 4.03Å; V288-L293 HydrophobicContact CG1-CD2 3.62Å; V288-L293 HydrophobicContact CG1-CG 3.78Å; V288-L293 HydrophobicContact CG2-CD2 4.39Å; V288-L293 HydrophobicContact CG2-CG 4.18Å; D289-L293 PolarHBondContact O-N 3.29Å; M290-L293 HydrophobicContact CE-CB 4.27Å; M290-L293 PolarHBondContact O-N 3.37Å; M290-L293 HydrophobicContact SD-CB 4.23Å; M290-L293 HydrophobicContact SD-CD1 4.12Å; L293-S295 PolarHBondContact O-N 3.3Å; L293-L296 WeakPolarHBondContact O-CB 3.28Å; L293-L296 PolarHBondContact O-N 3.2Å; L293-L296 VanDerWaalsContact O-N 3.1Å; L293-I327 HydrophobicContact CB-CD1 4.12Å; L293-I327 HydrophobicContact CD2-CD1 3.92Å; L293-I327 WeakPolarHBondContact O-CD1 3.19Å
294	K	96.5	Very high	94.8	Very high	85 Å²	85	44.8 Å²	44.8	37%	0.37	23%	0.234	S	C	.	.	H	α-helix	trans	-66	-23.1	179.1	-159.3	167.2	-162.7	156.7	0	113.3	M290 T292 L296 T326 E329	M290-K294 HydrophobicContact CE-CB 4.11Å; M290-K294 WeakPolarHBondContact O-CB 3.36Å; M290-K294 PolarHBondContact O-N 3.47Å; T292-K294 VanDerWaalsContact C-N 3.32Å; T292-K294 PolarHBondContact O-N 3.19Å; K294-L296 VanDerWaalsContact C-N 3.31Å; K294-T326 WeakPolarHBondContact O-CG2 3.35Å; K294-E329 IonicContact NZ-OE1 3.85Å; K294-E329 PolarHBondContact NZ-OE1 3.26Å
295	S	96.9	Very high	95	Very high	88 Å²	88	44.4 Å²	44.4	62%	0.615	24%	0.236	S	C	*	.	H	α-helix	trans	-77.1	-17.8	176	80.5	0	0	0	0	113.3	S291 T292 L293	S291-S295 PolarHBondContact O-N 3.31Å; T292-S295 WeakPolarHBondContact O-CB 3.22Å; T292-S295 PolarHBondContact O-N 2.84Å; T292-S295 VanDerWaalsContact O-N 3.08Å; T292-S295 PolarHBondContact O-OG 3.42Å; L293-S295 PolarHBondContact O-N 3.3Å
296	L	97.9	Very high	95.4	Very high	19 Å²	19	46.4 Å²	46.4	10%	0.099	25%	0.246	C	C	.	.	S	Bend	trans	-74.6	141.6	178.1	-60.8	174.8	0	0	0	110.6	L272 T276 N277 V278 T292 L293 K294 A298 I327	L272-L296 HydrophobicContact CD1-CD1 3.83Å; L272-L296 HydrophobicContact CD2-CD1 4.03Å; L272-L296 HydrophobicContact CG-CD1 4.38Å; T276-L296 HydrophobicContact CG2-CD1 4.49Å; N277-L296 WeakPolarHBondContact OD1-CA 3.26Å; V278-L296 HydrophobicContact CB-CD1 4.32Å; V278-L296 HydrophobicContact CB-CD2 4.28Å; V278-L296 HydrophobicContact CG2-CD1 4.44Å; V278-L296 HydrophobicContact CG2-CD2 4.44Å; T292-L296 PolarHBondContact O-N 2.74Å; L293-L296 WeakPolarHBondContact O-CB 3.28Å; L293-L296 PolarHBondContact O-N 3.2Å; L293-L296 VanDerWaalsContact O-N 3.1Å; K294-L296 VanDerWaalsContact C-N 3.31Å; L296-A298 PolarHBondContact O-N 2.71Å; L296-I327 HydrophobicContact CB-CD1 4.44Å; L296-I327 HydrophobicContact CD1-CD1 4.21Å
297	N	98.3	Very high	95.5	Very high	27 Å²	27	45.4 Å²	45.4	14%	0.144	24%	0.243	C	C	.	.	B	Isolated β-bridge	trans	-80.4	118.5	171.1	-174.6	-78	0	0	0	108.9	T276 N277 G299 K300 E323	T276-N297 CarbonylContact C-O 3.6Å; T276-N297 WeakPolarHBondContact CA-O 3.37Å; N277-N297 HydrophobicContact CB-CB 4.27Å; N277-N297 PolarHBondContact N-O 2.89Å; N277-N297 PolarHBondContact OD1-N 3.39Å; N297-G299 PolarHBondContact OD1-N 3.08Å; N297-G299 VanDerWaalsContact OD1-N 3.08Å; N297-K300 WeakPolarHBondContact OD1-CB 3.48Å; N297-K300 WeakPolarHBondContact OD1-CG 3.13Å; N297-K300 PolarHBondContact OD1-N 3.47Å; N297-E323 PolarHBondContact ND2-O 3.26Å
298	A	98.1	Very high	95.5	Very high	5 Å²	5	41.1 Å²	41.1	4%	0.041	22%	0.222	C	C	.	.	S	Bend	trans	-103.8	15.4	-179	0	0	0	0	0	113.2	T233 T275 L296 W301 Q325 I327	T233-A298 HydrophobicContact CG2-CB 4.28Å; T275-A298 CarbonylContact O-C 3.58Å; T275-A298 VanDerWaalsContact O-CA 3.23Å; T275-A298 WeakPolarHBondContact O-CA 3.09Å; L296-A298 PolarHBondContact O-N 2.71Å; A298-W301 PolarHBondContact O-NE1 3.03Å; A298-Q325 PolarHBondContact N-O 3.16Å; A298-I327 HydrophobicContact CB-CG1 4.09Å
299	G	97.6	Very high	95.5	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	24%	0.24	C	C	.	.	S	Bend	trans	-128.1	-35.8	-164.3	0	0	0	0	0	116.3	N297 W301 F302 A322	N297-G299 PolarHBondContact OD1-N 3.08Å; N297-G299 VanDerWaalsContact OD1-N 3.08Å; G299-W301 VanDerWaalsContact C-N 3.3Å; G299-W301 PolarHBondContact O-N 3.38Å; G299-F302 WeakPolarHBondContact O-CB 3.46Å; G299-F302 PolarHBondContact O-N 3.33Å; G299-A322 CarbonylContact C-O 3.49Å; G299-A322 WeakPolarHBondContact CA-O 3.37Å
300	K	96.8	Very high	95.3	Very high	101 Å²	101	43.3 Å²	43.3	44%	0.439	23%	0.231	S	C	.	.	H	α-helix	trans	-60.3	-38.9	-177.9	-77.3	179.3	179.3	-176.7	0	113	N297 F302 I303 E304 E323	N297-K300 WeakPolarHBondContact OD1-CB 3.48Å; N297-K300 WeakPolarHBondContact OD1-CG 3.13Å; N297-K300 PolarHBondContact OD1-N 3.47Å; K300-F302 PolarHBondContact O-N 3.31Å; K300-F302 VanDerWaalsContact O-N 3.14Å; K300-I303 PolarHBondContact O-N 3.3Å; K300-E304 WeakPolarHBondContact O-CG 3.49Å; K300-E304 PolarHBondContact O-N 2.95Å; K300-E323 HydrophobicContact CG-CB 4.33Å
301	W	95.8	Very high	95.2	Very high	19 Å²	19	43.3 Å²	43.3	7%	0.072	23%	0.232	C	C	.	.	H	α-helix	trans	-53.8	-36.8	179.8	76.1	-89.2	0	0	0	111.7	P230 E231 T275 A298 G299 N305 P307	P230-W301 HydrophobicContact CB-CZ2 4.43Å; E231-W301 HydrophobicContact CG-CH2 4.48Å; E231-W301 HydrophobicContact CG-CZ2 4.06Å; T275-W301 HydrophobicContact CG2-CH2 4.32Å; T275-W301 HydrophobicContact CG2-CZ2 3.85Å; T275-W301 PolarHBondContact O-NE1 3.08Å; A298-W301 PolarHBondContact O-NE1 3.03Å; G299-W301 VanDerWaalsContact C-N 3.3Å; G299-W301 PolarHBondContact O-N 3.38Å; W301-N305 WeakPolarHBondContact O-CB 3.23Å; W301-N305 VanDerWaalsContact O-CG 3.28Å; W301-N305 PolarHBondContact O-N 2.69Å; W301-N305 PolarHBondContact O-ND2 2.98Å; W301-P307 HydrophobicContact CH2-CG 4.17Å; W301-P307 HydrophobicContact CZ3-CB 4.25Å; W301-P307 HydrophobicContact CZ3-CG 3.7Å
302	F	96.4	Very high	95.1	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-65.5	-41.1	-180	175	-96.9	0	0	0	111.4	P226 P230 G299 K300 D306 P307 F308 V311 L314	P226-F302 VanDerWaalsContact O-CE2 3.28Å; P226-F302 WeakPolarHBondContact O-CE2 3.38Å; P230-F302 HydrophobicContact CB-CB 3.83Å; P230-F302 HydrophobicContact CB-CG 4.22Å; P230-F302 HydrophobicContact CG-CB 3.73Å; P230-F302 HydrophobicContact CG-CD1 4.13Å; P230-F302 HydrophobicContact CG-CG 3.96Å; G299-F302 WeakPolarHBondContact O-CB 3.46Å; G299-F302 PolarHBondContact O-N 3.33Å; K300-F302 PolarHBondContact O-N 3.31Å; K300-F302 VanDerWaalsContact O-N 3.14Å; F302-D306 WeakPolarHBondContact O-CA 3.35Å; F302-D306 PolarHBondContact O-N 3.45Å; F302-P307 HydrophobicContact CD2-CG 4.04Å; F302-P307 HydrophobicContact CE2-CG 4.38Å; F302-P307 WeakPolarHBondContact O-CD 3.28Å; F302-F308 HydrophobicContact CE2-CD2 4.22Å; F302-V311 HydrophobicContact CD1-CG2 4.15Å; F302-V311 HydrophobicContact CE1-CG2 3.83Å; F302-V311 HydrophobicContact CZ-CG2 4.29Å; F302-V311 VanDerWaalsContact O-CG2 3.29Å; F302-V311 WeakPolarHBondContact O-CG2 2.95Å; F302-L314 HydrophobicContact CE1-CD1 3.96Å
303	I	96.3	Very high	95	Very high	24 Å²	24	48 Å²	48	12%	0.123	24%	0.242	C	C	.	.	H	α-helix	trans	-75.1	-41	179.4	-58.8	-59	0	0	0	111.7	K300 V311 L314 R319 A322 E323	K300-I303 PolarHBondContact O-N 3.3Å; I303-V311 HydrophobicContact CD1-CG1 4.03Å; I303-V311 HydrophobicContact CD1-CG2 4.13Å; I303-V311 HydrophobicContact CG2-CG1 4.25Å; I303-L314 HydrophobicContact CD1-CD1 3.7Å; I303-R319 HydrophobicContact CD1-CG 4.06Å; I303-R319 HydrophobicContact CG1-CG 4.38Å; I303-R319 HydrophobicContact CG2-CG 4.22Å; I303-A322 HydrophobicContact CD1-CB 3.94Å; I303-A322 HydrophobicContact CG1-CB 4.2Å; I303-E323 HydrophobicContact CB-CG 4.32Å; I303-E323 HydrophobicContact CG1-CG 3.82Å
304	E	94.5	Very high	94.9	Very high	145 Å²	145	49 Å²	49	68%	0.678	25%	0.248	S	C	*	.	H	α-helix	trans	-72.8	-40.4	-177.1	-70	175.8	-179.9	0	0	112.1	K300	K300-E304 WeakPolarHBondContact O-CG 3.49Å; K300-E304 PolarHBondContact O-N 2.95Å
305	N	92	Very high	94.9	Very high	58 Å²	58	49 Å²	49	31%	0.31	25%	0.252	S	S	.	.	H	α-helix	trans	-92.6	-23	-175.4	-59.4	-43.3	0	0	0	113.4	H72 W301	H72-N305 HydrophobicContact CB-CB 4.13Å; H72-N305 VanDerWaalsContact CB-CG 3.42Å; H72-N305 VanDerWaalsContact CB-OD1 3.23Å; H72-N305 WeakPolarHBondContact CB-OD1 3.38Å; H72-N305 PolarHBondContact CD2-ND2 3.47Å; H72-N305 PolarHBondContact ND1-ND2 3.23Å; W301-N305 WeakPolarHBondContact O-CB 3.23Å; W301-N305 VanDerWaalsContact O-CG 3.28Å; W301-N305 PolarHBondContact O-N 2.69Å; W301-N305 PolarHBondContact O-ND2 2.98Å
306	D	92.6	Very high	94.9	Very high	43 Å²	43	54.2 Å²	54.2	23%	0.23	26%	0.263	C	S	.	.			trans	43.1	58.6	-176.2	-166.6	9.4	0	0	0	112.7	F302 F308 Q309 T310 V311	F302-D306 WeakPolarHBondContact O-CA 3.35Å; F302-D306 PolarHBondContact O-N 3.45Å; D306-F308 PolarHBondContact O-N 3.3Å; D306-F308 VanDerWaalsContact O-N 3.08Å; D306-Q309 VanDerWaalsContact CG-CA 3.43Å; D306-Q309 PolarHBondContact O-N 3.46Å; D306-Q309 VanDerWaalsContact OD1-C 3.25Å; D306-Q309 WeakPolarHBondContact OD1-CA 3.01Å; D306-Q309 PolarHBondContact OD1-N 3.02Å; D306-Q309 VanDerWaalsContact OD1-N 3.12Å; D306-Q309 WeakPolarHBondContact OD2-CA 3.4Å; D306-T310 PolarHBondContact OD1-N 3.39Å; D306-V311 HydrophobicContact CB-CB 4.11Å; D306-V311 HydrophobicContact CB-CG2 3.82Å; D306-V311 WeakPolarHBondContact OD1-CB 3.2Å; D306-V311 VanDerWaalsContact OD1-CG2 3.22Å; D306-V311 WeakPolarHBondContact OD1-CG2 3.46Å; D306-V311 PolarHBondContact OD1-N 3.02Å
307	P	89.9	Confident	94.9	Very high	22 Å²	22	57.2 Å²	57.2	14%	0.143	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-33.6	-167.4	24.2	-35.9	0	0	0	112.7	N74 W301 F302	N74-P307 PolarHBondContact ND2-O 3.4Å; W301-P307 HydrophobicContact CH2-CG 4.17Å; W301-P307 HydrophobicContact CZ3-CB 4.25Å; W301-P307 HydrophobicContact CZ3-CG 3.7Å; F302-P307 HydrophobicContact CD2-CG 4.04Å; F302-P307 HydrophobicContact CE2-CG 4.38Å; F302-P307 WeakPolarHBondContact O-CD 3.28Å
308	F	90.6	Very high	94.8	Very high	10 Å²	10	58 Å²	58	4%	0.044	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101	0.3	-177.9	-57.8	-68.3	0	0	0	114.3	D59 P226 M227 F302 D306 T310	D59-F308 HydrophobicContact CB-CE1 4.47Å; P226-F308 HydrophobicContact CB-CE2 4.01Å; P226-F308 HydrophobicContact CB-CZ 4.28Å; P226-F308 WeakPolarHBondContact O-CD2 3.49Å; P226-F308 WeakPolarHBondContact O-CE2 3.19Å; M227-F308 HydrophobicContact CB-CG 4.45Å; M227-F308 HydrophobicContact CE-CD1 4.22Å; M227-F308 HydrophobicContact CG-CB 4.12Å; M227-F308 HydrophobicContact CG-CD1 3.88Å; M227-F308 HydrophobicContact CG-CD2 4.23Å; M227-F308 HydrophobicContact CG-CE1 4.36Å; M227-F308 HydrophobicContact CG-CG 3.8Å; F302-F308 HydrophobicContact CE2-CD2 4.22Å; D306-F308 PolarHBondContact O-N 3.3Å; D306-F308 VanDerWaalsContact O-N 3.08Å; F308-T310 HydrophobicContact CB-CG2 3.93Å; F308-T310 PolarHBondContact O-N 2.9Å
309	Q	91.1	Very high	94.8	Very high	95 Å²	95	63 Å²	63	44%	0.444	31%	0.306	S	S	.	.	S	Bend	trans	58.8	33.7	-172.2	-58	178.3	2.4	0	0	113.2	D306 H312	D306-Q309 VanDerWaalsContact CG-CA 3.43Å; D306-Q309 PolarHBondContact O-N 3.46Å; D306-Q309 VanDerWaalsContact OD1-C 3.25Å; D306-Q309 WeakPolarHBondContact OD1-CA 3.01Å; D306-Q309 PolarHBondContact OD1-N 3.02Å; D306-Q309 VanDerWaalsContact OD1-N 3.12Å; D306-Q309 WeakPolarHBondContact OD2-CA 3.4Å; Q309-H312 PolarHBondContact O-CE1 2.95Å; Q309-H312 PolarHBondContact O-ND1 3.35Å
310	T	92.9	Very high	94.8	Very high	16 Å²	16	70 Å²	70	10%	0.098	34%	0.337	C	S	.	.			trans	-113.9	-7.3	-174.6	56.1	0	0	0	0	113.2	M227 D306 F308 H312 L313	M227-T310 HydrophobicContact CB-CG2 4.46Å; M227-T310 WeakPolarHBondContact O-CB 3.48Å; M227-T310 WeakPolarHBondContact O-CG2 3.42Å; M227-T310 PolarHBondContact O-OG1 2.97Å; D306-T310 PolarHBondContact OD1-N 3.39Å; F308-T310 HydrophobicContact CB-CG2 3.93Å; F308-T310 PolarHBondContact O-N 2.9Å; T310-H312 PolarHBondContact O-N 2.79Å; T310-H312 VanDerWaalsContact O-N 3.1Å; T310-L313 HydrophobicContact CG2-CD1 4.28Å; T310-L313 VanDerWaalsContact O-CB 3.25Å; T310-L313 WeakPolarHBondContact O-CB 3.38Å; T310-L313 PolarHBondContact O-N 3.37Å
311	V	94.4	Very high	94.8	Very high	5 Å²	5	68 Å²	68	3%	0.03	33%	0.333	C	S	.	.	G	3₁₀ helix	trans	-58.5	-28.9	-179.5	166.8	0	0	0	0	112.4	F302 I303 D306 L313 L314 R319	F302-V311 HydrophobicContact CD1-CG2 4.15Å; F302-V311 HydrophobicContact CE1-CG2 3.83Å; F302-V311 HydrophobicContact CZ-CG2 4.29Å; F302-V311 VanDerWaalsContact O-CG2 3.29Å; F302-V311 WeakPolarHBondContact O-CG2 2.95Å; I303-V311 HydrophobicContact CD1-CG1 4.03Å; I303-V311 HydrophobicContact CD1-CG2 4.13Å; I303-V311 HydrophobicContact CG2-CG1 4.25Å; D306-V311 HydrophobicContact CB-CB 4.11Å; D306-V311 HydrophobicContact CB-CG2 3.82Å; D306-V311 WeakPolarHBondContact OD1-CB 3.2Å; D306-V311 VanDerWaalsContact OD1-CG2 3.22Å; D306-V311 WeakPolarHBondContact OD1-CG2 3.46Å; D306-V311 PolarHBondContact OD1-N 3.02Å; V311-L313 PolarHBondContact O-N 3.39Å; V311-L314 WeakPolarHBondContact O-CB 3.46Å; V311-L314 PolarHBondContact O-N 2.94Å; V311-R319 VanDerWaalsContact CG1-NH2 3.26Å
312	H	94.8	Very high	94.9	Very high	136 Å²	136	67.1 Å²	67.1	63%	0.63	33%	0.33	S	S	*	.	G	3₁₀ helix	trans	-65.9	-17.6	175.1	73.8	-85.9	0	0	0	114.1	Q309 T310 L314	Q309-H312 PolarHBondContact O-CE1 2.95Å; Q309-H312 PolarHBondContact O-ND1 3.35Å; T310-H312 PolarHBondContact O-N 2.79Å; T310-H312 VanDerWaalsContact O-N 3.1Å; H312-L314 VanDerWaalsContact C-N 3.34Å
313	L	94.2	Very high	95	Very high	111 Å²	111	70.4 Å²	70.4	58%	0.581	35%	0.345	S	S	*	.	G	3₁₀ helix	trans	-83	-11.8	176.5	-57.2	173.6	0	0	0	112.5	T310 V311	T310-L313 HydrophobicContact CG2-CD1 4.28Å; T310-L313 VanDerWaalsContact O-CB 3.25Å; T310-L313 WeakPolarHBondContact O-CB 3.38Å; T310-L313 PolarHBondContact O-N 3.37Å; V311-L313 PolarHBondContact O-N 3.39Å
314	L	96.1	Very high	95	Very high	21 Å²	21	73.5 Å²	73.5	11%	0.11	37%	0.365	C	S	.	.			trans	-79.4	134.5	-179.7	-58.2	-170.5	0	0	0	111.8	L228 F302 I303 V311 H312 Q318 R319 A322	L228-L314 WeakPolarHBondContact O-CD2 3.25Å; F302-L314 HydrophobicContact CE1-CD1 3.96Å; I303-L314 HydrophobicContact CD1-CD1 3.7Å; V311-L314 WeakPolarHBondContact O-CB 3.46Å; V311-L314 PolarHBondContact O-N 2.94Å; H312-L314 VanDerWaalsContact C-N 3.34Å; L314-Q318 HydrophobicContact CB-CB 4.19Å; L314-Q318 HydrophobicContact CD2-CB 4.32Å; L314-R319 HydrophobicContact CB-CB 4.47Å; L314-A322 HydrophobicContact CD1-CB 4.49Å
315	N	96.4	Very high	95.2	Very high	85 Å²	85	67.7 Å²	67.7	46%	0.455	34%	0.338	S	S	.	.			trans	-73.9	167.7	166.9	74	49.5	0	0	0	111.4	S317 Q318 R319	N315-S317 VanDerWaalsContact C-N 3.27Å; N315-S317 PolarHBondContact O-N 2.97Å; N315-S317 WeakPolarHBondContact OD1-CA 3.42Å; N315-S317 WeakPolarHBondContact OD1-CB 3.22Å; N315-S317 PolarHBondContact OD1-N 3.1Å; N315-Q318 VanDerWaalsContact ND2-CD 3.27Å; N315-Q318 PolarHBondContact ND2-OE1 3.49Å; N315-Q318 VanDerWaalsContact ND2-OE1 3.12Å; N315-Q318 PolarHBondContact O-N 3.44Å; N315-Q318 PolarHBondContact OD1-N 3.36Å; N315-R319 PolarHBondContact O-N 3.29Å
316	K	96.9	Very high	95.5	Very high	197 Å²	197	67.7 Å²	67.7	86%	0.857	34%	0.34	S	S	*	.	H	α-helix	trans	-56.3	-38.3	-176.8	-68.4	-175.9	180	179.6	0	113.4	K320	K316-K320 PolarHBondContact O-N 3.39Å
317	S	97	Very high	95.8	Very high	82 Å²	82	65.7 Å²	65.7	57%	0.573	33%	0.329	S	S	*	.	H	α-helix	trans	-70.5	-47.2	179.3	-168.3	0	0	0	0	110.9	N315 R319 K320 T321	N315-S317 VanDerWaalsContact C-N 3.27Å; N315-S317 PolarHBondContact O-N 2.97Å; N315-S317 WeakPolarHBondContact OD1-CA 3.42Å; N315-S317 WeakPolarHBondContact OD1-CB 3.22Å; N315-S317 PolarHBondContact OD1-N 3.1Å; S317-R319 VanDerWaalsContact C-N 3.32Å; S317-R319 PolarHBondContact O-N 2.9Å; S317-K320 PolarHBondContact O-N 3.26Å; S317-T321 PolarHBondContact O-N 3.38Å; S317-T321 PolarHBondContact O-OG1 3.42Å
318	Q	97.3	Very high	96.2	Very high	44 Å²	44	64.8 Å²	64.8	21%	0.206	32%	0.324	C	S	.	.	H	α-helix	trans	-59.2	-43.2	177.4	-73.2	170.6	-35	0	0	111.5	M235 L314 N315 K320 T321 A322	M235-Q318 HydrophobicContact CE-CB 4.15Å; M235-Q318 WeakPolarHBondContact CE-O 3.24Å; L314-Q318 HydrophobicContact CB-CB 4.19Å; L314-Q318 HydrophobicContact CD2-CB 4.32Å; N315-Q318 VanDerWaalsContact ND2-CD 3.27Å; N315-Q318 PolarHBondContact ND2-OE1 3.49Å; N315-Q318 VanDerWaalsContact ND2-OE1 3.12Å; N315-Q318 PolarHBondContact O-N 3.44Å; N315-Q318 PolarHBondContact OD1-N 3.36Å; Q318-K320 PolarHBondContact O-N 3.46Å; Q318-T321 PolarHBondContact O-N 3.29Å; Q318-A322 WeakPolarHBondContact O-CB 3.44Å; Q318-A322 PolarHBondContact O-N 3.31Å
319	R	97.5	Very high	96.6	Very high	108 Å²	108	66.1 Å²	66.1	41%	0.408	33%	0.33	S	S	.	.	H	α-helix	trans	-58.8	-47.8	175	177.8	175.8	-79.6	-177.2	-6.2	111.4	I303 V311 L314 N315 S317 T321 A322 E323	I303-R319 HydrophobicContact CD1-CG 4.06Å; I303-R319 HydrophobicContact CG1-CG 4.38Å; I303-R319 HydrophobicContact CG2-CG 4.22Å; V311-R319 VanDerWaalsContact CG1-NH2 3.26Å; L314-R319 HydrophobicContact CB-CB 4.47Å; N315-R319 PolarHBondContact O-N 3.29Å; S317-R319 VanDerWaalsContact C-N 3.32Å; S317-R319 PolarHBondContact O-N 2.9Å; R319-T321 VanDerWaalsContact C-N 3.33Å; R319-T321 PolarHBondContact O-N 2.89Å; R319-A322 PolarHBondContact O-N 3.21Å; R319-E323 WeakPolarHBondContact CG-OE1 3.4Å; R319-E323 WeakPolarHBondContact O-CG 3.43Å; R319-E323 PolarHBondContact O-N 3.2Å
320	K	97.3	Very high	97	Very high	149 Å²	149	61.7 Å²	61.7	65%	0.648	31%	0.309	S	S	*	.	H	α-helix	trans	-60.7	-42	178.1	-172.9	177.6	179.6	-177.4	0	112	K316 S317 Q318 E323 T324	K316-K320 PolarHBondContact O-N 3.39Å; S317-K320 PolarHBondContact O-N 3.26Å; Q318-K320 PolarHBondContact O-N 3.46Å; K320-E323 PolarHBondContact O-N 2.98Å; K320-T324 PolarHBondContact O-OG1 3.22Å
321	T	97.9	Very high	97.2	Very high	58 Å²	58	65.4 Å²	65.4	36%	0.356	32%	0.324	S	S	.	.	H	α-helix	trans	-64.7	-41.4	176.5	-58.5	0	0	0	0	111.7	M235 S317 Q318 R319 E323 T324 Q325	M235-T321 HydrophobicContact CG-CG2 4.24Å; M235-T321 HydrophobicContact SD-CG2 3.73Å; S317-T321 PolarHBondContact O-N 3.38Å; S317-T321 PolarHBondContact O-OG1 3.42Å; Q318-T321 PolarHBondContact O-N 3.29Å; R319-T321 VanDerWaalsContact C-N 3.33Å; R319-T321 PolarHBondContact O-N 2.89Å; T321-E323 VanDerWaalsContact C-N 3.35Å; T321-E323 PolarHBondContact O-N 3.37Å; T321-T324 PolarHBondContact O-N 3.3Å; T321-T324 PolarHBondContact O-OG1 2.85Å; T321-Q325 PolarHBondContact O-NE2 3.23Å
322	A	97.8	Very high	97.4	Very high	0 Å²	0	67.6 Å²	67.6	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-61.9	-42.2	177.3	0	0	0	0	0	111.4	P230 M235 G299 I303 L314 Q318 R319 T324 Q325	P230-A322 HydrophobicContact CG-CB 4.15Å; M235-A322 HydrophobicContact CE-CB 4.14Å; M235-A322 VanDerWaalsContact SD-CA 3.55Å; M235-A322 HydrophobicContact SD-CB 3.8Å; M235-A322 PolarHBondContact SD-N 3.14Å; M235-A322 VanDerWaalsContact SD-N 3.45Å; G299-A322 CarbonylContact C-O 3.49Å; G299-A322 WeakPolarHBondContact CA-O 3.37Å; I303-A322 HydrophobicContact CD1-CB 3.94Å; I303-A322 HydrophobicContact CG1-CB 4.2Å; L314-A322 HydrophobicContact CD1-CB 4.49Å; Q318-A322 WeakPolarHBondContact O-CB 3.44Å; Q318-A322 PolarHBondContact O-N 3.31Å; R319-A322 PolarHBondContact O-N 3.21Å; A322-T324 PolarHBondContact O-N 3.24Å; A322-Q325 PolarHBondContact O-N 3.27Å
323	E	97.4	Very high	97.6	Very high	69 Å²	69	61.1 Å²	61.1	32%	0.322	31%	0.306	S	S	.	.	H	α-helix	trans	-65.2	-17.7	179.4	-70.5	171.5	-176.5	0	0	114.1	N297 K300 I303 R319 K320 T321	N297-E323 PolarHBondContact ND2-O 3.26Å; K300-E323 HydrophobicContact CG-CB 4.33Å; I303-E323 HydrophobicContact CB-CG 4.32Å; I303-E323 HydrophobicContact CG1-CG 3.82Å; R319-E323 WeakPolarHBondContact CG-OE1 3.4Å; R319-E323 WeakPolarHBondContact O-CG 3.43Å; R319-E323 PolarHBondContact O-N 3.2Å; K320-E323 PolarHBondContact O-N 2.98Å; T321-E323 VanDerWaalsContact C-N 3.35Å; T321-E323 PolarHBondContact O-N 3.37Å
324	T	97.6	Very high	97.8	Very high	89 Å²	89	55.9 Å²	55.9	55%	0.546	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.8	9.7	-175.6	61.2	0	0	0	0	113.7	K320 T321 A322	K320-T324 PolarHBondContact O-OG1 3.22Å; T321-T324 PolarHBondContact O-N 3.3Å; T321-T324 PolarHBondContact O-OG1 2.85Å; A322-T324 PolarHBondContact O-N 3.24Å
325	Q	98.4	Very high	97.9	Very high	23 Å²	23	57.6 Å²	57.6	11%	0.107	29%	0.288	C	S	.	.			trans	-65.9	151.6	177.3	-62.4	-57.8	-72.9	0	0	111.8	P230 T233 M235 A298 T321 A322	P230-Q325 HydrophobicContact CG-CG 4.21Å; T233-Q325 HydrophobicContact CG2-CB 3.66Å; T233-Q325 HydrophobicContact CG2-CG 4.1Å; M235-Q325 VanDerWaalsContact CB-CD 3.44Å; M235-Q325 HydrophobicContact CB-CG 4.12Å; M235-Q325 VanDerWaalsContact CB-OE1 3.27Å; A298-Q325 PolarHBondContact N-O 3.16Å; T321-Q325 PolarHBondContact O-NE2 3.23Å; A322-Q325 PolarHBondContact O-N 3.27Å
326	T	98.2	Very high	98.1	Very high	58 Å²	58	53.7 Å²	53.7	36%	0.356	27%	0.267	S	S	.	.	B	Isolated β-bridge	trans	-126.4	167.8	176.1	57.7	0	0	0	0	109.5	K294 P328	K294-T326 WeakPolarHBondContact O-CG2 3.35Å; T326-P328 WeakPolarHBondContact O-CD 3.07Å
327	I	98.5	Very high	98.1	Very high	1 Å²	1	44.3 Å²	44.3	1%	0.005	23%	0.226	C	C	.	.	P	Polyproline II helix	trans	-67.3	121	172	-55.5	175.7	0	0	0	108.6	F262 M264 L272 T276 L293 L296 A298	F262-I327 HydrophobicContact CB-CG2 4.36Å; F262-I327 HydrophobicContact CD2-CG2 3.73Å; F262-I327 HydrophobicContact CG-CG2 4.44Å; M264-I327 HydrophobicContact CE-CD1 3.58Å; M264-I327 HydrophobicContact CE-CG1 3.87Å; M264-I327 HydrophobicContact CE-CG2 4.37Å; L272-I327 HydrophobicContact CD2-CD1 3.68Å; T276-I327 HydrophobicContact CG2-CD1 4.03Å; T276-I327 HydrophobicContact CG2-CG1 4.36Å; L293-I327 HydrophobicContact CB-CD1 4.12Å; L293-I327 HydrophobicContact CD2-CD1 3.92Å; L293-I327 WeakPolarHBondContact O-CD1 3.19Å; L296-I327 HydrophobicContact CB-CD1 4.44Å; L296-I327 HydrophobicContact CD1-CD1 4.21Å; A298-I327 HydrophobicContact CB-CG1 4.09Å
328	P	98.3	Very high	98.2	Very high	4 Å²	4	44.9 Å²	44.9	3%	0.026	22%	0.218	C	C	.	.	P	Polyproline II helix	trans	-83.5	154.9	179	34.1	-34.5	0	0	0	112.1	N232 M234 F262 L263 T326 D332	N232-P328 WeakPolarHBondContact O-CD 3.33Å; N232-P328 WeakPolarHBondContact O-CG 3.49Å; M234-P328 HydrophobicContact CG-CB 4.15Å; M234-P328 HydrophobicContact SD-CB 3.94Å; F262-P328 WeakPolarHBondContact CA-O 3.47Å; L263-P328 HydrophobicContact CB-CG 3.87Å; L263-P328 HydrophobicContact CD1-CB 4.41Å; L263-P328 HydrophobicContact CD1-CG 3.69Å; L263-P328 HydrophobicContact CG-CG 3.88Å; L263-P328 PolarHBondContact N-O 2.79Å; T326-P328 WeakPolarHBondContact O-CD 3.07Å; P328-D332 HydrophobicContact CB-CB 4.35Å
329	E	98.6	Very high	98.2	Very high	38 Å²	38	50.9 Å²	50.9	18%	0.178	24%	0.239	C	C	.	.	B	Isolated β-bridge	trans	-80	155.1	166.3	-65.4	165.5	-138.5	0	0	109.1	I260 M290 K294 K331 D332	I260-E329 HydrophobicContact CG2-CG 4.1Å; M290-E329 HydrophobicContact CE-CG 3.55Å; M290-E329 HydrophobicContact CG-CG 4.03Å; M290-E329 HydrophobicContact SD-CG 3.97Å; K294-E329 IonicContact NZ-OE1 3.85Å; K294-E329 PolarHBondContact NZ-OE1 3.26Å; E329-K331 HydrophobicContact CB-CB 4.38Å; E329-K331 PolarHBondContact O-N 2.97Å; E329-D332 PolarHBondContact N-OD2 3.41Å; E329-D332 WeakPolarHBondContact O-CB 3.38Å; E329-D332 PolarHBondContact O-N 3.25Å
330	L	98.7	Very high	98.2	Very high	1 Å²	1	49.4 Å²	49.4	1%	0.005	24%	0.236	C	C	.	.	H	α-helix	trans	-56.6	-35.7	173.3	177.6	59.4	0	0	0	111.3	V253 P261 L263 D332 L333 L334 T363 I367	V253-L330 HydrophobicContact CG1-CD2 4.44Å; V253-L330 HydrophobicContact CG2-CD1 4.03Å; V253-L330 HydrophobicContact CG2-CD2 4.46Å; P261-L330 HydrophobicContact CB-CB 3.76Å; P261-L330 HydrophobicContact CB-CD2 3.89Å; P261-L330 HydrophobicContact CB-CG 4.5Å; P261-L330 HydrophobicContact CG-CD2 4.44Å; P261-L330 PolarHBondContact O-N 3.12Å; L263-L330 HydrophobicContact CD2-CB 4.32Å; L263-L330 HydrophobicContact CD2-CD1 4.02Å; L330-D332 VanDerWaalsContact C-N 3.28Å; L330-D332 PolarHBondContact O-N 3.32Å; L330-L333 PolarHBondContact O-N 3.44Å; L330-L333 VanDerWaalsContact O-N 3.14Å; L330-L334 HydrophobicContact CD1-CG 4.31Å; L330-L334 HydrophobicContact CD2-CD1 4.35Å; L330-L334 HydrophobicContact CG-CD1 3.83Å; L330-L334 HydrophobicContact CG-CG 4.14Å; L330-L334 WeakPolarHBondContact O-CG 3.32Å; L330-L334 PolarHBondContact O-N 3.46Å; L330-T363 HydrophobicContact CD2-CG2 3.84Å; L330-I367 HydrophobicContact CD2-CG1 4.25Å
331	K	98.5	Very high	98.2	Very high	94 Å²	94	47.9 Å²	47.9	41%	0.409	24%	0.236	S	C	.	.	H	α-helix	trans	-54	-42.2	175.2	-171.3	178	-179.6	172.1	0	113.4	E329 L333 L334 D335 E366	E329-K331 HydrophobicContact CB-CB 4.38Å; E329-K331 PolarHBondContact O-N 2.97Å; K331-L333 VanDerWaalsContact C-N 3.28Å; K331-L333 PolarHBondContact O-N 3.3Å; K331-L334 PolarHBondContact O-N 2.87Å; K331-D335 PolarHBondContact O-N 3.3Å; K331-E366 WeakPolarHBondContact CB-OE1 3.33Å
332	D	98.6	Very high	98.2	Very high	52 Å²	52	45.7 Å²	45.7	28%	0.278	22%	0.221	S	C	.	.	H	α-helix	trans	-62.3	-40.2	-179.3	-63.6	-47.7	0	0	0	110.6	M234 P328 E329 L330 L336	M234-D332 HydrophobicContact CE-CB 4.24Å; M234-D332 WeakPolarHBondContact CE-O 3.35Å; M234-D332 HydrophobicContact CG-CB 4.43Å; M234-D332 HydrophobicContact SD-CB 3.68Å; P328-D332 HydrophobicContact CB-CB 4.35Å; E329-D332 PolarHBondContact N-OD2 3.41Å; E329-D332 WeakPolarHBondContact O-CB 3.38Å; E329-D332 PolarHBondContact O-N 3.25Å; L330-D332 VanDerWaalsContact C-N 3.28Å; L330-D332 PolarHBondContact O-N 3.32Å; D332-L336 PolarHBondContact O-N 3.41Å
333	L	98.7	Very high	98.3	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-71.9	-40.5	176.2	-177.7	62.7	0	0	0	112.4	F237 F249 T251 L263 L330 K331 D335 L336 A337 I344	F237-L333 HydrophobicContact CB-CD1 4Å; F237-L333 HydrophobicContact CD1-CD1 3.65Å; F237-L333 HydrophobicContact CD2-CD1 3.7Å; F237-L333 HydrophobicContact CE1-CD1 3.99Å; F237-L333 HydrophobicContact CE1-CD2 4.1Å; F237-L333 HydrophobicContact CE2-CD1 4.05Å; F237-L333 HydrophobicContact CE2-CD2 4.34Å; F237-L333 HydrophobicContact CG-CD1 3.51Å; F237-L333 HydrophobicContact CZ-CD1 4.19Å; F237-L333 HydrophobicContact CZ-CD2 3.98Å; F249-L333 HydrophobicContact CB-CD1 4.23Å; F249-L333 HydrophobicContact CB-CD2 4.49Å; F249-L333 HydrophobicContact CD2-CD1 3.49Å; F249-L333 VanDerWaalsContact CD2-CD1 3.49Å; F249-L333 HydrophobicContact CD2-CG 4.32Å; F249-L333 HydrophobicContact CE2-CD1 3.98Å; F249-L333 HydrophobicContact CG-CD1 4Å; T251-L333 HydrophobicContact CG2-CD2 3.66Å; L263-L333 HydrophobicContact CD1-CB 3.89Å; L263-L333 HydrophobicContact CD1-CD2 3.74Å; L263-L333 HydrophobicContact CD1-CG 4.37Å; L330-L333 PolarHBondContact O-N 3.44Å; L330-L333 VanDerWaalsContact O-N 3.14Å; K331-L333 VanDerWaalsContact C-N 3.28Å; K331-L333 PolarHBondContact O-N 3.3Å; L333-D335 VanDerWaalsContact C-N 3.3Å; L333-D335 PolarHBondContact O-N 3.27Å; L333-L336 HydrophobicContact CD1-CD2 4.47Å; L333-L336 PolarHBondContact O-N 3.35Å; L333-A337 WeakPolarHBondContact O-CB 3.29Å; L333-A337 PolarHBondContact O-N 2.91Å; L333-I344 HydrophobicContact CD2-CG2 4.16Å; L333-I344 HydrophobicContact CG-CD1 4.12Å; L333-I344 HydrophobicContact CG-CG1 4.45Å
334	L	98.8	Very high	98.3	Very high	1 Å²	1	43 Å²	43	1%	0.005	21%	0.211	C	C	.	.	H	α-helix	trans	-59.1	-42.4	175.3	-69.1	166.1	0	0	0	111.2	L330 K331 A337 K338 I344 I367 I372 I377	L330-L334 HydrophobicContact CD1-CG 4.31Å; L330-L334 HydrophobicContact CD2-CD1 4.35Å; L330-L334 HydrophobicContact CG-CD1 3.83Å; L330-L334 HydrophobicContact CG-CG 4.14Å; L330-L334 WeakPolarHBondContact O-CG 3.32Å; L330-L334 PolarHBondContact O-N 3.46Å; K331-L334 PolarHBondContact O-N 2.87Å; L334-A337 PolarHBondContact O-N 2.91Å; L334-K338 WeakPolarHBondContact O-CB 3.28Å; L334-K338 PolarHBondContact O-N 2.82Å; L334-I344 HydrophobicContact CD2-CD1 3.67Å; L334-I344 HydrophobicContact CG-CD1 4.32Å; L334-I367 HydrophobicContact CD1-CG1 4.08Å; L334-I367 HydrophobicContact CD2-CG1 4.15Å; L334-I367 HydrophobicContact CD2-CG2 4.44Å; L334-I372 HydrophobicContact CD2-CD1 4.08Å; L334-I372 HydrophobicContact CD2-CG2 4.1Å; L334-I377 HydrophobicContact CD2-CD1 3.87Å
335	D	98.6	Very high	98.4	Very high	57 Å²	57	38.9 Å²	38.9	31%	0.305	19%	0.185	S	C	.	.	H	α-helix	trans	-65.8	-37.5	176.1	-81.9	-27.3	0	0	0	112.5	K331 L333 K338 R339	K331-D335 PolarHBondContact O-N 3.3Å; L333-D335 VanDerWaalsContact C-N 3.3Å; L333-D335 PolarHBondContact O-N 3.27Å; D335-K338 WeakPolarHBondContact OD1-CE 3.34Å; D335-K338 IonicContact OD1-NZ 2.77Å; D335-K338 PolarHBondContact OD1-NZ 3.44Å; D335-R339 WeakPolarHBondContact O-CB 3.4Å; D335-R339 PolarHBondContact O-N 3.22Å; D335-R339 VanDerWaalsContact O-N 3.09Å
336	L	98.6	Very high	98.4	Very high	2 Å²	2	37.9 Å²	37.9	1%	0.01	18%	0.18	C	C	.	.	H	α-helix	trans	-66.7	-45.7	173.9	-175	70.4	0	0	0	111.7	M234 F237 E238 F249 D332 L333 K338 R339 H340	M234-L336 HydrophobicContact CE-CB 3.83Å; M234-L336 HydrophobicContact CE-CD2 3.8Å; M234-L336 HydrophobicContact CE-CG 4.3Å; F237-L336 HydrophobicContact CB-CD2 3.54Å; E238-L336 HydrophobicContact CG-CD1 3.95Å; E238-L336 HydrophobicContact CG-CD2 4.11Å; F249-L336 HydrophobicContact CE2-CD2 4Å; F249-L336 HydrophobicContact CE2-CG 4.16Å; F249-L336 HydrophobicContact CZ-CD2 3.91Å; F249-L336 HydrophobicContact CZ-CG 4.28Å; D332-L336 PolarHBondContact O-N 3.41Å; L333-L336 HydrophobicContact CD1-CD2 4.47Å; L333-L336 PolarHBondContact O-N 3.35Å; L336-K338 PolarHBondContact O-N 3.29Å; L336-R339 WeakPolarHBondContact O-CB 3.39Å; L336-R339 PolarHBondContact O-N 3.49Å; L336-R339 VanDerWaalsContact O-N 3.17Å; L336-H340 VanDerWaalsContact CD1-CD2 3.46Å; L336-H340 WeakPolarHBondContact CD1-CD2 3.49Å; L336-H340 PolarHBondContact O-CD2 2.92Å; L336-H340 PolarHBondContact O-N 3.5Å
337	A	98.6	Very high	98.3	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-59.8	-44.7	177.7	0	0	0	0	0	111.9	F249 L333 L334 R339 H340 N341 I342 I344 I372	F249-A337 HydrophobicContact CD2-CB 4.23Å; F249-A337 HydrophobicContact CE2-CB 4.22Å; L333-A337 WeakPolarHBondContact O-CB 3.29Å; L333-A337 PolarHBondContact O-N 2.91Å; L334-A337 PolarHBondContact O-N 2.91Å; A337-R339 VanDerWaalsContact C-N 3.34Å; A337-R339 PolarHBondContact O-N 2.73Å; A337-H340 PolarHBondContact O-N 3.47Å; A337-N341 VanDerWaalsContact O-CA 3.31Å; A337-N341 WeakPolarHBondContact O-CA 3.29Å; A337-N341 PolarHBondContact O-N 3.34Å; A337-I342 WeakPolarHBondContact CB-O 3.34Å; A337-I342 PolarHBondContact O-N 2.85Å; A337-I344 HydrophobicContact CB-CD1 3.4Å; A337-I344 HydrophobicContact CB-CG1 3.67Å; A337-I372 HydrophobicContact CB-CD1 3.79Å
338	K	98	Very high	98.1	Very high	95 Å²	95	38.5 Å²	38.5	41%	0.413	18%	0.181	S	C	.	.	H	α-helix	trans	-59	-42.5	173.2	-179.5	172.8	57.9	-162.8	0	112.2	L334 D335 L336 S370 I372	L334-K338 WeakPolarHBondContact O-CB 3.28Å; L334-K338 PolarHBondContact O-N 2.82Å; D335-K338 WeakPolarHBondContact OD1-CE 3.34Å; D335-K338 IonicContact OD1-NZ 2.77Å; D335-K338 PolarHBondContact OD1-NZ 3.44Å; L336-K338 PolarHBondContact O-N 3.29Å; K338-S370 PolarHBondContact NZ-O 2.91Å; K338-I372 HydrophobicContact CB-CG1 4.3Å
339	R	97.9	Very high	97.7	Very high	169 Å²	169	40.6 Å²	40.6	64%	0.638	19%	0.189	S	C	*	.	H	α-helix	trans	-65.4	-38.6	179.3	-173.1	-171.9	-57.3	154.5	5.3	112.7	D335 L336 A337	D335-R339 WeakPolarHBondContact O-CB 3.4Å; D335-R339 PolarHBondContact O-N 3.22Å; D335-R339 VanDerWaalsContact O-N 3.09Å; L336-R339 WeakPolarHBondContact O-CB 3.39Å; L336-R339 PolarHBondContact O-N 3.49Å; L336-R339 VanDerWaalsContact O-N 3.17Å; A337-R339 VanDerWaalsContact C-N 3.34Å; A337-R339 PolarHBondContact O-N 2.73Å
340	H	97.6	Very high	96.7	Very high	77 Å²	77	43.1 Å²	43.1	36%	0.356	20%	0.197	S	C	.	.	H	α-helix	trans	-99	-3.1	-176	-70.2	-74.6	0	0	0	114.1	V241 L336 A337 I342	V241-H340 HydrophobicContact CG1-CB 4.45Å; L336-H340 VanDerWaalsContact CD1-CD2 3.46Å; L336-H340 WeakPolarHBondContact CD1-CD2 3.49Å; L336-H340 PolarHBondContact O-CD2 2.92Å; L336-H340 PolarHBondContact O-N 3.5Å; A337-H340 PolarHBondContact O-N 3.47Å; H340-I342 VanDerWaalsContact C-N 3.35Å; H340-I342 HydrophobicContact CB-CD1 3.72Å; H340-I342 HydrophobicContact CB-CG1 3.95Å
341	N	97.8	Very high	95.2	Very high	118 Å²	118	44.1 Å²	44.1	63%	0.631	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.9	51.5	-173.2	-167.2	55.2	0	0	0	112	A337	A337-N341 VanDerWaalsContact O-CA 3.31Å; A337-N341 WeakPolarHBondContact O-CA 3.29Å; A337-N341 PolarHBondContact O-N 3.34Å
342	I	97.9	Very high	93.5	Very high	11 Å²	11	48 Å²	48	6%	0.056	22%	0.223	C	C	.	.			trans	-112.8	140.8	-178.7	-73.1	176.4	0	0	0	108.9	V241 F249 A337 H340	V241-I342 HydrophobicContact CB-CD1 4.11Å; V241-I342 HydrophobicContact CG1-CD1 3.86Å; V241-I342 HydrophobicContact CG2-CD1 3.26Å; F249-I342 HydrophobicContact CD1-CG2 3.95Å; F249-I342 HydrophobicContact CD2-CB 4.44Å; F249-I342 HydrophobicContact CD2-CG2 3.66Å; F249-I342 HydrophobicContact CE1-CD1 4.05Å; F249-I342 HydrophobicContact CE1-CG2 3.97Å; F249-I342 HydrophobicContact CE2-CB 4.07Å; F249-I342 HydrophobicContact CE2-CD1 4.38Å; F249-I342 HydrophobicContact CE2-CG2 3.68Å; F249-I342 HydrophobicContact CG-CG2 3.81Å; F249-I342 HydrophobicContact CZ-CB 4.26Å; F249-I342 HydrophobicContact CZ-CD1 3.74Å; F249-I342 HydrophobicContact CZ-CG2 3.85Å; A337-I342 WeakPolarHBondContact CB-O 3.34Å; A337-I342 PolarHBondContact O-N 2.85Å; H340-I342 VanDerWaalsContact C-N 3.35Å; H340-I342 HydrophobicContact CB-CD1 3.72Å; H340-I342 HydrophobicContact CB-CG1 3.95Å
343	S	98.7	Very high	91.7	Very high	13 Å²	13	51.8 Å²	51.8	9%	0.091	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	158.4	177.3	-52.3	0	0	0	0	111.6	K247 V248 F249 L376 Y378	K247-S343 PolarHBondContact O-N 2.96Å; V248-S343 CarbonylContact C-O 3.59Å; V248-S343 VanDerWaalsContact CA-O 3.23Å; V248-S343 WeakPolarHBondContact CA-O 3.31Å; F249-S343 PolarHBondContact N-O 3.25Å; S343-L376 CarbonylContact C-O 3.51Å; S343-L376 WeakPolarHBondContact CA-O 3.47Å; S343-L376 VanDerWaalsContact CB-O 3.3Å; S343-L376 WeakPolarHBondContact CB-O 3.46Å; S343-Y378 WeakPolarHBondContact OG-CE1 3.34Å
344	I	98.8	Very high	89.8	Confident	1 Å²	1	53.2 Å²	53.2	1%	0.005	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	131.1	174.4	-58.3	162.6	0	0	0	108.2	F249 T251 L333 L334 A337 F346 I372 L376 I377 Y378	F249-I344 HydrophobicContact CB-CG1 4.39Å; F249-I344 HydrophobicContact CD2-CG1 4.26Å; F249-I344 WeakPolarHBondContact O-CA 3.33Å; T251-I344 HydrophobicContact CG2-CG2 4.35Å; L333-I344 HydrophobicContact CD2-CG2 4.16Å; L333-I344 HydrophobicContact CG-CD1 4.12Å; L333-I344 HydrophobicContact CG-CG1 4.45Å; L334-I344 HydrophobicContact CD2-CD1 3.67Å; L334-I344 HydrophobicContact CG-CD1 4.32Å; A337-I344 HydrophobicContact CB-CD1 3.4Å; A337-I344 HydrophobicContact CB-CG1 3.67Å; I344-F346 HydrophobicContact CG2-CD1 4.05Å; I344-I372 HydrophobicContact CD1-CD1 4.25Å; I344-L376 PolarHBondContact N-O 3.45Å; I344-I377 HydrophobicContact CD1-CD1 4.46Å; I344-Y378 WeakPolarHBondContact O-CB 3.24Å; I344-Y378 PolarHBondContact O-N 2.94Å
345	I	98.7	Very high	87.7	Confident	1 Å²	1	57.9 Å²	57.9	1%	0.005	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	145.8	164.4	-170.1	173.5	0	0	0	108.2	W220 V248 F249 E250 T251 L380 V397 N416	W220-I345 HydrophobicContact CE3-CD1 4.4Å; W220-I345 HydrophobicContact CE3-CG2 3.86Å; W220-I345 HydrophobicContact CH2-CD1 4.24Å; W220-I345 HydrophobicContact CZ3-CB 4.41Å; W220-I345 HydrophobicContact CZ3-CD1 3.52Å; W220-I345 HydrophobicContact CZ3-CG2 3.97Å; V248-I345 HydrophobicContact CG1-CB 4.03Å; V248-I345 HydrophobicContact CG1-CG2 3.64Å; F249-I345 PolarHBondContact O-N 3.34Å; E250-I345 WeakPolarHBondContact CA-O 3.34Å; E250-I345 HydrophobicContact CB-CG2 3.64Å; E250-I345 HydrophobicContact CG-CG2 3.73Å; T251-I345 PolarHBondContact N-O 3.34Å; I345-L380 HydrophobicContact CD1-CB 4.14Å; I345-L380 HydrophobicContact CD1-CD1 4.3Å; I345-L380 HydrophobicContact CD1-CD2 4.15Å; I345-L380 HydrophobicContact CD1-CG 4.45Å; I345-L380 HydrophobicContact CG1-CB 3.91Å; I345-L380 HydrophobicContact CG1-CD2 4.28Å; I345-V397 HydrophobicContact CD1-CB 4.47Å; I345-V397 HydrophobicContact CD1-CG1 4.14Å; I345-V397 HydrophobicContact CD1-CG2 4.43Å; I345-N416 HydrophobicContact CD1-CB 4.3Å
346	F	98.3	Very high	85.7	Confident	2 Å²	2	64.3 Å²	64.3	1%	0.009	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	148.3	179.3	57.9	-87.3	0	0	0	113.9	T251 V253 I344 T363 I367 W379 P381	T251-F346 HydrophobicContact CG2-CB 3.7Å; T251-F346 WeakPolarHBondContact O-CA 3.17Å; T251-F346 WeakPolarHBondContact O-CB 3.47Å; V253-F346 HydrophobicContact CB-CD2 4.07Å; V253-F346 HydrophobicContact CG2-CB 3.89Å; V253-F346 HydrophobicContact CG2-CD2 3.67Å; V253-F346 HydrophobicContact CG2-CE2 4.4Å; V253-F346 HydrophobicContact CG2-CG 3.84Å; I344-F346 HydrophobicContact CG2-CD1 4.05Å; F346-T363 HydrophobicContact CE2-CG2 3.87Å; F346-T363 HydrophobicContact CZ-CG2 3.95Å; F346-I367 HydrophobicContact CE1-CD1 4Å; F346-I367 HydrophobicContact CZ-CD1 3.82Å; F346-W379 HydrophobicContact CE2-CE3 4.42Å; F346-W379 HydrophobicContact CE2-CH2 4.37Å; F346-W379 HydrophobicContact CE2-CZ3 4.02Å; F346-W379 AromaticContact CZ-CE3 3.72Å; F346-W379 HydrophobicContact CZ-CE3 3.72Å; F346-W379 HydrophobicContact CZ-CH2 4.3Å; F346-W379 AromaticContact CZ-CZ3 3.52Å; F346-W379 HydrophobicContact CZ-CZ3 3.52Å; F346-P381 HydrophobicContact CD2-CG 4.44Å; F346-P381 HydrophobicContact CE2-CG 4.2Å; F346-P381 WeakPolarHBondContact O-CD 3.46Å
347	D	96.1	Very high	84.3	Confident	53 Å²	53	65.7 Å²	65.7	28%	0.283	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	145.2	160.4	-77.8	-60.4	0	0	0	110.2	T251 V253 Y349	T251-D347 PolarHBondContact O-N 2.8Å; T251-D347 VanDerWaalsContact O-N 3.16Å; V253-D347 PolarHBondContact N-O 3.46Å; D347-Y349 HydrophobicContact CB-CE1 4.24Å; D347-Y349 HydrophobicContact CB-CE2 4.49Å
348	L	94.6	Very high	83.7	Confident	20 Å²	20	69.4 Å²	69.4	11%	0.105	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	98.4	174	-179.2	62.1	0	0	0	108.7	V253 L255 D359 P381	V253-L348 HydrophobicContact CB-CD1 4.14Å; V253-L348 HydrophobicContact CG1-CD1 3.86Å; L255-L348 HydrophobicContact CD2-CD1 3.88Å; L348-D359 HydrophobicContact CD2-CB 4.31Å; L348-P381 HydrophobicContact CB-CB 4.06Å; L348-P381 HydrophobicContact CB-CG 3.57Å
349	Y	89.8	Confident	83.4	Confident	47 Å²	47	65.3 Å²	65.3	18%	0.184	32%	0.322	C	S	.	.			trans	-80.2	137.7	-178.3	-68.6	-49.8	0	0	0	111.9	D252 V253 Q254 H265 H267 D347	D252-Y349 HydrophobicContact CB-CD2 3.99Å; D252-Y349 HydrophobicContact CB-CE2 3.61Å; D252-Y349 WeakPolarHBondContact OD1-CE2 3.06Å; D252-Y349 PolarHBondContact OD1-OH 3.32Å; V253-Y349 PolarHBondContact O-N 2.94Å; Q254-Y349 HydrophobicContact CG-CD2 4.45Å; H265-Y349 WeakPolarHBondContact O-CD2 3.29Å; H265-Y349 WeakPolarHBondContact O-CE2 3.4Å; H267-Y349 HydrophobicContact CB-CD2 3.91Å; H267-Y349 HydrophobicContact CB-CG 3.8Å; H267-Y349 AromaticContact CD2-CD1 3.99Å; H267-Y349 AromaticContact CE1-CD1 3.7Å; H267-Y349 AromaticContact CE1-CE1 3.49Å; H267-Y349 VanDerWaalsContact CE1-CE1 3.49Å; H267-Y349 WeakPolarHBondContact CE1-CE1 3.48Å; H267-Y349 AromaticContact CE1-CZ 3.72Å; H267-Y349 AromaticContact CG-CD1 3.82Å; H267-Y349 AromaticContact CG-CD2 3.85Å; H267-Y349 AromaticContact CG-CG 3.59Å; H267-Y349 AromaticContact ND1-CD1 3.63Å; H267-Y349 AromaticContact ND1-CD2 3.55Å; H267-Y349 AromaticContact ND1-CE1 3.66Å; H267-Y349 AromaticContact ND1-CE2 3.52Å; H267-Y349 AromaticContact ND1-CG 3.6Å; H267-Y349 AromaticContact ND1-CZ 3.61Å; H267-Y349 AromaticContact NE2-CD1 3.93Å; D347-Y349 HydrophobicContact CB-CE1 4.24Å; D347-Y349 HydrophobicContact CB-CE2 4.49Å
350	R	76.9	Confident	83.1	Confident	92 Å²	92	57.6 Å²	57.6	35%	0.347	29%	0.294	S	S	.	.			trans	-131.4	130.5	-178.1	-174.2	-179.3	-166.6	161.5	17.7	110	E352 C354 S355 T357 D359	R350-E352 PolarHBondContact O-N 2.92Å; R350-C354 PolarHBondContact NE-O 3.18Å; R350-C354 PolarHBondContact NH2-O 2.89Å; R350-S355 VanDerWaalsContact NH2-C 3.28Å; R350-S355 PolarHBondContact NH2-O 3.44Å; R350-T357 PolarHBondContact NE-OG1 2.89Å; R350-T357 VanDerWaalsContact NE-OG1 3.15Å; R350-T357 PolarHBondContact NH2-O 3.45Å; R350-T357 PolarHBondContact NH2-OG1 3.27Å; R350-D359 IonicContact NE-OD2 2.75Å
351	P	68.3	Low	83	Confident	22 Å²	22	56.8 Å²	56.8	14%	0.143	29%	0.29	C	S	.	.			trans	-61.4	131.3	171.2	-20.5	32	0	0	0	110.9	Y284 N353 C354	Y284-P351 HydrophobicContact CD1-CB 3.76Å; Y284-P351 HydrophobicContact CD1-CG 4.07Å; Y284-P351 HydrophobicContact CE1-CB 4.2Å; Y284-P351 HydrophobicContact CG-CB 4.11Å; Y284-P351 HydrophobicContact CG-CG 4.23Å; P351-N353 PolarHBondContact O-N 2.91Å; P351-C354 HydrophobicContact CB-CB 4.39Å; P351-C354 PolarHBondContact O-N 3.45Å
352	E	63.1	Low	82.8	Confident	174 Å²	174	53.4 Å²	53.4	81%	0.813	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	-31	-179.3	-66.7	-170.8	149.6	0	0	113.2	R350 C354	R350-E352 PolarHBondContact O-N 2.92Å; E352-C354 PolarHBondContact O-N 2.88Å
353	N	60.6	Low	82.8	Confident	132 Å²	132	52.9 Å²	52.9	71%	0.706	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.8	-2.2	-178.9	-68.9	-23.4	0	0	0	114.4	P351	P351-N353 PolarHBondContact O-N 2.91Å
354	C	57.3	Low	82.7	Confident	30 Å²	30	52.2 Å²	52.2	20%	0.203	27%	0.265	C	S	.	.			trans	-117.3	58.2	-170.7	-73.5	0	0	0	0	112.7	N286 R350 P351 E352 K356 T357	N286-C354 PolarHBondContact ND2-SG 3.4Å; R350-C354 PolarHBondContact NE-O 3.18Å; R350-C354 PolarHBondContact NH2-O 2.89Å; P351-C354 HydrophobicContact CB-CB 4.39Å; P351-C354 PolarHBondContact O-N 3.45Å; E352-C354 PolarHBondContact O-N 2.88Å; C354-K356 PolarHBondContact O-N 2.95Å; C354-T357 HydrophobicContact CB-CG2 3.88Å; C354-T357 PolarHBondContact O-OG1 3.45Å
355	S	55.4	Low	82.6	Confident	99 Å²	99	57.5 Å²	57.5	69%	0.692	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-3.1	-179.7	62.4	0	0	0	0	116.3	R350	R350-S355 VanDerWaalsContact NH2-C 3.28Å; R350-S355 PolarHBondContact NH2-O 3.44Å
356	K	57.6	Low	82.6	Confident	192 Å²	192	59.2 Å²	59.2	84%	0.835	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.2	13	-174	-66.5	-174.7	175.8	-179.8	0	115.6	C354	C354-K356 PolarHBondContact O-N 2.95Å
357	T	67.8	Low	82.6	Confident	31 Å²	31	59.2 Å²	59.2	19%	0.19	30%	0.296	C	S	.	.			trans	-80.4	141	173.1	52.2	0	0	0	0	112.3	R350 C354 D359	R350-T357 PolarHBondContact NE-OG1 2.89Å; R350-T357 VanDerWaalsContact NE-OG1 3.15Å; R350-T357 PolarHBondContact NH2-O 3.45Å; R350-T357 PolarHBondContact NH2-OG1 3.27Å; C354-T357 HydrophobicContact CB-CG2 3.88Å; C354-T357 PolarHBondContact O-OG1 3.45Å; T357-D359 WeakPolarHBondContact CB-OD1 3.5Å; T357-D359 WeakPolarHBondContact CB-OD2 3.25Å; T357-D359 PolarHBondContact O-N 2.73Å; T357-D359 PolarHBondContact OG1-OD2 3.47Å
358	N	86.1	Confident	82.7	Confident	79 Å²	79	59.4 Å²	59.4	42%	0.422	30%	0.297	S	S	.	.			trans	-89.6	41.6	176.6	-70.5	10.7	0	0	0	110.8	T360 E361 D362	N358-T360 VanDerWaalsContact C-N 3.27Å; N358-T360 PolarHBondContact O-N 3.47Å; N358-E361 HydrophobicContact CB-CB 4.11Å; N358-E361 HydrophobicContact CB-CG 4.19Å; N358-E361 PolarHBondContact ND2-OE2 3.37Å; N358-E361 PolarHBondContact O-N 2.89Å; N358-D362 PolarHBondContact O-N 2.89Å
359	D	91.4	Very high	82.9	Confident	8 Å²	8	63.4 Å²	63.4	4%	0.043	32%	0.318	C	S	.	.	H	α-helix	trans	-56.4	-40.2	-173.2	-62.5	-29.9	0	0	0	112.2	L255 R259 L348 R350 T357 T363	L255-D359 HydrophobicContact CD2-CB 3.84Å; L255-D359 HydrophobicContact CG-CB 4.27Å; R259-D359 IonicContact CZ-OD1 3.82Å; R259-D359 IonicContact NH1-OD1 3.03Å; R259-D359 PolarHBondContact NH1-OD1 3.38Å; R259-D359 IonicContact NH2-OD1 2.69Å; R259-D359 PolarHBondContact NH2-OD1 2.93Å; L348-D359 HydrophobicContact CD2-CB 4.31Å; R350-D359 IonicContact NE-OD2 2.75Å; T357-D359 WeakPolarHBondContact CB-OD1 3.5Å; T357-D359 WeakPolarHBondContact CB-OD2 3.25Å; T357-D359 PolarHBondContact O-N 2.73Å; T357-D359 PolarHBondContact OG1-OD2 3.47Å; D359-T363 VanDerWaalsContact O-CB 3.28Å; D359-T363 WeakPolarHBondContact O-CB 3.2Å; D359-T363 PolarHBondContact O-N 3.2Å; D359-T363 PolarHBondContact O-OG1 3.32Å
360	T	93.2	Very high	83.2	Confident	8 Å²	8	61.7 Å²	61.7	5%	0.049	31%	0.313	C	S	.	.	H	α-helix	trans	-57.8	-49.1	172.7	-54.7	0	0	0	0	111.3	N358 T363 V364 W379 N384 Y387 V388	N358-T360 VanDerWaalsContact C-N 3.27Å; N358-T360 PolarHBondContact O-N 3.47Å; T360-T363 PolarHBondContact O-N 2.91Å; T360-V364 HydrophobicContact CG2-CG2 4.39Å; T360-V364 WeakPolarHBondContact O-CB 3.31Å; T360-V364 WeakPolarHBondContact O-CG2 3.26Å; T360-V364 PolarHBondContact O-N 2.74Å; T360-W379 HydrophobicContact CG2-CH2 4Å; T360-W379 HydrophobicContact CG2-CZ2 3.78Å; T360-N384 HydrophobicContact CG2-CB 3.86Å; T360-Y387 HydrophobicContact CG2-CD1 4.24Å; T360-V388 HydrophobicContact CG2-CG2 3.63Å
361	E	94	Very high	84.2	Confident	60 Å²	60	60 Å²	60	28%	0.28	32%	0.324	S	S	.	.	H	α-helix	trans	-69.1	-41.9	-174.8	-54.9	172.1	-169	0	0	111.1	N358 T363 V364 K365 Y387	N358-E361 HydrophobicContact CB-CB 4.11Å; N358-E361 HydrophobicContact CB-CG 4.19Å; N358-E361 PolarHBondContact ND2-OE2 3.37Å; N358-E361 PolarHBondContact O-N 2.89Å; E361-T363 VanDerWaalsContact C-N 3.34Å; E361-T363 PolarHBondContact O-N 3.45Å; E361-V364 PolarHBondContact O-N 2.62Å; E361-K365 VanDerWaalsContact O-CB 3.22Å; E361-K365 WeakPolarHBondContact O-CB 3.31Å; E361-K365 PolarHBondContact O-N 3.41Å; E361-Y387 HydrophobicContact CB-CE1 4.17Å; E361-Y387 HydrophobicContact CG-CD1 4.25Å; E361-Y387 HydrophobicContact CG-CE1 3.8Å; E361-Y387 HydrophobicContact CG-CE2 4.21Å
362	D	95.3	Very high	85.6	Confident	46 Å²	46	59.2 Å²	59.2	25%	0.246	32%	0.319	C	S	.	.	H	α-helix	trans	-62.9	-41.9	175.9	-69.8	-36.6	0	0	0	111.1	L255 R259 N358 K365 E366	L255-D362 HydrophobicContact CD1-CB 4.16Å; R259-D362 IonicContact CZ-OD2 2.71Å; R259-D362 IonicContact NE-OD2 3.32Å; R259-D362 PolarHBondContact NE-OD2 3.42Å; R259-D362 IonicContact NH2-OD2 3.75Å; R259-D362 PolarHBondContact NH2-OD2 2.88Å; N358-D362 PolarHBondContact O-N 2.89Å; D362-K365 PolarHBondContact O-N 2.93Å; D362-E366 PolarHBondContact O-N 3Å
363	T	96.8	Very high	87.3	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-66.8	-45.8	177.1	-55.6	0	0	0	0	111.6	V253 L330 F346 D359 T360 E361 K365 E366 I367 W379	V253-T363 HydrophobicContact CG1-CG2 4.46Å; L330-T363 HydrophobicContact CD2-CG2 3.84Å; F346-T363 HydrophobicContact CE2-CG2 3.87Å; F346-T363 HydrophobicContact CZ-CG2 3.95Å; D359-T363 VanDerWaalsContact O-CB 3.28Å; D359-T363 WeakPolarHBondContact O-CB 3.2Å; D359-T363 PolarHBondContact O-N 3.2Å; D359-T363 PolarHBondContact O-OG1 3.32Å; T360-T363 PolarHBondContact O-N 2.91Å; E361-T363 VanDerWaalsContact C-N 3.34Å; E361-T363 PolarHBondContact O-N 3.45Å; T363-K365 VanDerWaalsContact C-N 3.31Å; T363-K365 PolarHBondContact O-N 3.44Å; T363-E366 PolarHBondContact O-N 2.94Å; T363-I367 HydrophobicContact CG2-CD1 4.11Å; T363-I367 VanDerWaalsContact O-CG1 3.31Å; T363-I367 WeakPolarHBondContact O-CG1 3.36Å; T363-I367 PolarHBondContact O-N 2.64Å; T363-W379 HydrophobicContact CG2-CZ3 4.39Å
364	V	97.2	Very high	89	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-59.9	-44.6	175.5	168.9	0	0	0	0	110.3	T360 E361 E366 I367 L368 W379 Y387 V388 T391 F394	T360-V364 HydrophobicContact CG2-CG2 4.39Å; T360-V364 WeakPolarHBondContact O-CB 3.31Å; T360-V364 WeakPolarHBondContact O-CG2 3.26Å; T360-V364 PolarHBondContact O-N 2.74Å; E361-V364 PolarHBondContact O-N 2.62Å; V364-E366 PolarHBondContact O-N 2.67Å; V364-I367 PolarHBondContact O-N 3.42Å; V364-L368 HydrophobicContact CG1-CD1 3.81Å; V364-L368 HydrophobicContact CG1-CG 4.17Å; V364-L368 VanDerWaalsContact O-CG 3.27Å; V364-L368 WeakPolarHBondContact O-CG 3.39Å; V364-L368 PolarHBondContact O-N 3.33Å; V364-W379 HydrophobicContact CG2-CH2 3.92Å; V364-W379 HydrophobicContact CG2-CZ3 3.84Å; V364-Y387 HydrophobicContact CB-CE1 4.23Å; V364-Y387 HydrophobicContact CG1-CE1 4.24Å; V364-Y387 HydrophobicContact CG2-CE1 4.25Å; V364-V388 HydrophobicContact CG2-CG1 4.33Å; V364-V388 HydrophobicContact CG2-CG2 3.93Å; V364-T391 HydrophobicContact CG1-CG2 4.38Å; V364-F394 HydrophobicContact CG1-CE2 4.44Å; V364-F394 HydrophobicContact CG2-CE2 4.34Å
365	K	97.3	Very high	90.8	Very high	112 Å²	112	56.3 Å²	56.3	49%	0.487	30%	0.3	S	S	.	.	H	α-helix	trans	-58.5	-47.4	177.4	179.1	-178.8	174.6	-59.6	0	111.5	E361 D362 T363 I367 L368 D369	E361-K365 VanDerWaalsContact O-CB 3.22Å; E361-K365 WeakPolarHBondContact O-CB 3.31Å; E361-K365 PolarHBondContact O-N 3.41Å; D362-K365 PolarHBondContact O-N 2.93Å; T363-K365 VanDerWaalsContact C-N 3.31Å; T363-K365 PolarHBondContact O-N 3.44Å; K365-I367 VanDerWaalsContact C-N 3.32Å; K365-I367 PolarHBondContact O-N 2.93Å; K365-L368 PolarHBondContact O-N 3.43Å; K365-D369 WeakPolarHBondContact CG-OD2 3.33Å; K365-D369 IonicContact NZ-OD2 3.08Å; K365-D369 PolarHBondContact NZ-OD2 2.86Å; K365-D369 VanDerWaalsContact O-CB 3.3Å; K365-D369 WeakPolarHBondContact O-CB 3.44Å; K365-D369 PolarHBondContact O-N 3.42Å
366	E	98.1	Very high	92.8	Very high	37 Å²	37	52.3 Å²	52.3	17%	0.173	27%	0.271	C	S	.	.	H	α-helix	trans	-60.3	-41.6	177.3	-171.1	62.2	-144.4	0	0	111.9	P261 K331 D362 T363 V364 D369 S370	P261-E366 HydrophobicContact CG-CB 3.98Å; P261-E366 HydrophobicContact CG-CG 4.2Å; K331-E366 WeakPolarHBondContact CB-OE1 3.33Å; D362-E366 PolarHBondContact O-N 3Å; T363-E366 PolarHBondContact O-N 2.94Å; V364-E366 PolarHBondContact O-N 2.67Å; E366-D369 PolarHBondContact O-N 2.95Å; E366-S370 WeakPolarHBondContact O-CB 3.48Å; E366-S370 PolarHBondContact O-N 3.26Å
367	I	98.4	Very high	94.8	Very high	1 Å²	1	43.1 Å²	43.1	1%	0.005	23%	0.231	C	C	.	.	H	α-helix	trans	-63.1	-46.7	176.9	-65.6	166.5	0	0	0	110.9	L330 L334 F346 T363 V364 K365 S370 I372 I377 W379 F394	L330-I367 HydrophobicContact CD2-CG1 4.25Å; L334-I367 HydrophobicContact CD1-CG1 4.08Å; L334-I367 HydrophobicContact CD2-CG1 4.15Å; L334-I367 HydrophobicContact CD2-CG2 4.44Å; F346-I367 HydrophobicContact CE1-CD1 4Å; F346-I367 HydrophobicContact CZ-CD1 3.82Å; T363-I367 HydrophobicContact CG2-CD1 4.11Å; T363-I367 VanDerWaalsContact O-CG1 3.31Å; T363-I367 WeakPolarHBondContact O-CG1 3.36Å; T363-I367 PolarHBondContact O-N 2.64Å; V364-I367 PolarHBondContact O-N 3.42Å; K365-I367 VanDerWaalsContact C-N 3.32Å; K365-I367 PolarHBondContact O-N 2.93Å; I367-S370 WeakPolarHBondContact O-CB 3.48Å; I367-S370 PolarHBondContact O-N 3.33Å; I367-S370 PolarHBondContact O-OG 3.23Å; I367-I372 HydrophobicContact CG2-CG2 3.92Å; I367-I377 HydrophobicContact CD1-CG2 4.28Å; I367-I377 HydrophobicContact CG2-CD1 3.98Å; I367-I377 HydrophobicContact CG2-CG1 3.8Å; I367-W379 HydrophobicContact CD1-CZ3 4.3Å; I367-F394 HydrophobicContact CB-CZ 4.02Å; I367-F394 HydrophobicContact CD1-CE2 4.26Å; I367-F394 HydrophobicContact CG2-CE1 3.8Å; I367-F394 HydrophobicContact CG2-CE2 4.12Å; I367-F394 HydrophobicContact CG2-CZ 3.37Å
368	L	97.9	Very high	96.2	Very high	58 Å²	58	43.4 Å²	43.4	30%	0.304	23%	0.229	S	C	.	.	H	α-helix	trans	-63.3	-44.9	178	-66.7	175.8	0	0	0	111.4	V364 K365 S370 G371 H374 T391 F394	V364-L368 HydrophobicContact CG1-CD1 3.81Å; V364-L368 HydrophobicContact CG1-CG 4.17Å; V364-L368 VanDerWaalsContact O-CG 3.27Å; V364-L368 WeakPolarHBondContact O-CG 3.39Å; V364-L368 PolarHBondContact O-N 3.33Å; K365-L368 PolarHBondContact O-N 3.43Å; L368-S370 PolarHBondContact O-N 2.99Å; L368-G371 PolarHBondContact O-N 2.97Å; L368-H374 VanDerWaalsContact CD2-CE1 3.48Å; L368-H374 WeakPolarHBondContact CD2-CE1 3.42Å; L368-H374 WeakPolarHBondContact CD2-NE2 3.36Å; L368-T391 HydrophobicContact CD1-CG2 4.12Å; L368-F394 HydrophobicContact CD2-CZ 4.22Å
369	D	97.9	Very high	96.7	Very high	103 Å²	103	39.6 Å²	39.6	55%	0.551	21%	0.209	S	C	*	.	H	α-helix	trans	-64.2	-26.7	179.3	-72.7	-16	0	0	0	111.9	K365 E366 G371	K365-D369 WeakPolarHBondContact CG-OD2 3.33Å; K365-D369 IonicContact NZ-OD2 3.08Å; K365-D369 PolarHBondContact NZ-OD2 2.86Å; K365-D369 VanDerWaalsContact O-CB 3.3Å; K365-D369 WeakPolarHBondContact O-CB 3.44Å; K365-D369 PolarHBondContact O-N 3.42Å; E366-D369 PolarHBondContact O-N 2.95Å; D369-G371 VanDerWaalsContact C-N 3.27Å; D369-G371 PolarHBondContact O-N 2.87Å
370	S	97.7	Very high	96.9	Very high	12 Å²	12	39.5 Å²	39.5	8%	0.084	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-19.5	176.9	81.7	0	0	0	0	114.6	K338 E366 I367 L368 I372	K338-S370 PolarHBondContact NZ-O 2.91Å; E366-S370 WeakPolarHBondContact O-CB 3.48Å; E366-S370 PolarHBondContact O-N 3.26Å; I367-S370 WeakPolarHBondContact O-CB 3.48Å; I367-S370 PolarHBondContact O-N 3.33Å; I367-S370 PolarHBondContact O-OG 3.23Å; L368-S370 PolarHBondContact O-N 2.99Å; S370-I372 PolarHBondContact O-N 2.99Å; S370-I372 WeakPolarHBondContact OG-CG2 3.46Å; S370-I372 PolarHBondContact OG-N 3.38Å
371	G	97.1	Very high	96.8	Very high	57 Å²	57	39.3 Å²	39.3	59%	0.588	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.9	20.8	-176.9	0	0	0	0	0	114.8	L368 D369	L368-G371 PolarHBondContact O-N 2.97Å; D369-G371 VanDerWaalsContact C-N 3.27Å; D369-G371 PolarHBondContact O-N 2.87Å
372	I	97.9	Very high	96.5	Very high	5 Å²	5	39.4 Å²	39.4	3%	0.026	21%	0.213	C	C	.	.			trans	-65.2	149.1	173.2	-167.2	166.6	0	0	0	110.9	L334 A337 K338 I344 I367 S370 H374 L376 I377	L334-I372 HydrophobicContact CD2-CD1 4.08Å; L334-I372 HydrophobicContact CD2-CG2 4.1Å; A337-I372 HydrophobicContact CB-CD1 3.79Å; K338-I372 HydrophobicContact CB-CG1 4.3Å; I344-I372 HydrophobicContact CD1-CD1 4.25Å; I367-I372 HydrophobicContact CG2-CG2 3.92Å; S370-I372 PolarHBondContact O-N 2.99Å; S370-I372 WeakPolarHBondContact OG-CG2 3.46Å; S370-I372 PolarHBondContact OG-N 3.38Å; I372-H374 PolarHBondContact O-CD2 3.41Å; I372-H374 PolarHBondContact O-N 3Å; I372-L376 HydrophobicContact CD1-CB 4.31Å; I372-L376 HydrophobicContact CD1-CD1 4.39Å; I372-L376 HydrophobicContact CG1-CB 4.39Å; I372-L376 HydrophobicContact CG1-CD1 4.17Å; I372-I377 HydrophobicContact CD1-CD1 4.11Å; I372-I377 HydrophobicContact CG2-CD1 3.94Å; I372-I377 HydrophobicContact CG2-CG1 4.06Å
373	N	97.7	Very high	96	Very high	79 Å²	79	41.9 Å²	41.9	42%	0.422	22%	0.223	S	C	.	.			trans	-61.9	125.3	171.5	-177.9	-1.7	0	0	0	109.7	E375 L376	N373-E375 PolarHBondContact ND2-OE2 3.32Å; N373-E375 PolarHBondContact O-N 2.93Å; N373-E375 PolarHBondContact OD1-N 2.96Å; N373-E375 VanDerWaalsContact OD1-N 3.1Å; N373-L376 HydrophobicContact CB-CD1 4.3Å; N373-L376 HydrophobicContact CB-CG 4.27Å; N373-L376 WeakPolarHBondContact O-CB 3.49Å; N373-L376 PolarHBondContact O-N 2.83Å
374	H	96.2	Very high	95.6	Very high	60 Å²	60	46 Å²	46	28%	0.278	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-60.6	-26.6	-178.6	-66.7	-172.2	0	0	0	113.2	L368 I372 L376 I377 F394	L368-H374 VanDerWaalsContact CD2-CE1 3.48Å; L368-H374 WeakPolarHBondContact CD2-CE1 3.42Å; L368-H374 WeakPolarHBondContact CD2-NE2 3.36Å; I372-H374 PolarHBondContact O-CD2 3.41Å; I372-H374 PolarHBondContact O-N 3Å; H374-L376 PolarHBondContact O-N 2.91Å; H374-I377 PolarHBondContact O-N 3.33Å; H374-F394 HydrophobicContact CB-CD1 3.9Å; H374-F394 HydrophobicContact CB-CE1 4.1Å; H374-F394 AromaticContact CD2-CE1 3.79Å; H374-F394 AromaticContact CG-CE1 3.76Å
375	E	96.1	Very high	95.1	Very high	135 Å²	135	46.4 Å²	46.4	63%	0.631	25%	0.247	S	C	*	.	G	3₁₀ helix	trans	-66.2	-14.7	174.9	-62.6	176.5	158.8	0	0	113.1	N373 I395	N373-E375 PolarHBondContact ND2-OE2 3.32Å; N373-E375 PolarHBondContact O-N 2.93Å; N373-E375 PolarHBondContact OD1-N 2.96Å; N373-E375 VanDerWaalsContact OD1-N 3.1Å; E375-I395 VanDerWaalsContact O-CD1 3.26Å; E375-I395 WeakPolarHBondContact O-CD1 3.33Å
376	L	98.1	Very high	94.7	Very high	15 Å²	15	47 Å²	47	8%	0.079	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-88.8	-4	174.5	-60.7	179.4	0	0	0	112.5	S343 I344 I372 N373 H374	S343-L376 CarbonylContact C-O 3.51Å; S343-L376 WeakPolarHBondContact CA-O 3.47Å; S343-L376 VanDerWaalsContact CB-O 3.3Å; S343-L376 WeakPolarHBondContact CB-O 3.46Å; I344-L376 PolarHBondContact N-O 3.45Å; I372-L376 HydrophobicContact CD1-CB 4.31Å; I372-L376 HydrophobicContact CD1-CD1 4.39Å; I372-L376 HydrophobicContact CG1-CB 4.39Å; I372-L376 HydrophobicContact CG1-CD1 4.17Å; N373-L376 HydrophobicContact CB-CD1 4.3Å; N373-L376 HydrophobicContact CB-CG 4.27Å; N373-L376 WeakPolarHBondContact O-CB 3.49Å; N373-L376 PolarHBondContact O-N 2.83Å; H374-L376 PolarHBondContact O-N 2.91Å
377	I	98.4	Very high	94.4	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	115.1	-176.2	-56.6	-60.2	0	0	0	110.1	L334 I344 I367 I372 H374 F394 I395	L334-I377 HydrophobicContact CD2-CD1 3.87Å; I344-I377 HydrophobicContact CD1-CD1 4.46Å; I367-I377 HydrophobicContact CD1-CG2 4.28Å; I367-I377 HydrophobicContact CG2-CD1 3.98Å; I367-I377 HydrophobicContact CG2-CG1 3.8Å; I372-I377 HydrophobicContact CD1-CD1 4.11Å; I372-I377 HydrophobicContact CG2-CD1 3.94Å; I372-I377 HydrophobicContact CG2-CG1 4.06Å; H374-I377 PolarHBondContact O-N 3.33Å; I377-F394 HydrophobicContact CB-CB 4.19Å; I377-F394 HydrophobicContact CB-CD1 3.64Å; I377-F394 HydrophobicContact CB-CD2 4.45Å; I377-F394 HydrophobicContact CB-CE1 4.15Å; I377-F394 HydrophobicContact CB-CG 3.85Å; I377-F394 HydrophobicContact CG1-CD1 4.12Å; I377-F394 HydrophobicContact CG1-CE1 4.14Å; I377-F394 HydrophobicContact CG2-CB 3.98Å; I377-F394 HydrophobicContact CG2-CD1 3.83Å; I377-F394 HydrophobicContact CG2-CD2 3.71Å; I377-F394 HydrophobicContact CG2-CE1 4.25Å; I377-F394 HydrophobicContact CG2-CE2 4.14Å; I377-F394 HydrophobicContact CG2-CG 3.56Å; I377-F394 HydrophobicContact CG2-CZ 4.41Å; I377-I395 PolarHBondContact O-N 3.38Å
378	Y	97.8	Very high	94.2	Very high	36 Å²	36	49 Å²	49	14%	0.141	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	100.3	178.2	-76.6	43	0	0	0	106.9	W220 S343 I344 L380 I395 V397 H414	W220-Y378 AromaticContact CH2-CD2 3.83Å; W220-Y378 HydrophobicContact CH2-CD2 3.83Å; W220-Y378 AromaticContact CH2-CE2 3.98Å; W220-Y378 HydrophobicContact CH2-CE2 3.98Å; W220-Y378 HydrophobicContact CZ2-CD2 4.18Å; W220-Y378 AromaticContact CZ2-CE2 3.87Å; W220-Y378 HydrophobicContact CZ2-CE2 3.87Å; S343-Y378 WeakPolarHBondContact OG-CE1 3.34Å; I344-Y378 WeakPolarHBondContact O-CB 3.24Å; I344-Y378 PolarHBondContact O-N 2.94Å; Y378-L380 PolarHBondContact O-N 3.32Å; Y378-I395 CarbonylContact C-O 3.55Å; Y378-I395 WeakPolarHBondContact CA-O 3.37Å; Y378-I395 HydrophobicContact CD1-CB 4.24Å; Y378-I395 HydrophobicContact CD1-CD1 4.09Å; Y378-I395 HydrophobicContact CE1-CD1 3.58Å; Y378-V397 HydrophobicContact CD2-CG2 3.93Å; Y378-V397 HydrophobicContact CG-CG2 4.19Å; Y378-H414 AromaticContact CE2-CD2 3.98Å
379	W	96.6	Very high	93.8	Very high	0 Å²	0	49 Å²	49	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	99.4	-176.9	-171.3	-89	0	0	0	110.5	F346 T360 T363 V364 I367 P381 V388 F394 I395 V397	F346-W379 HydrophobicContact CE2-CE3 4.42Å; F346-W379 HydrophobicContact CE2-CH2 4.37Å; F346-W379 HydrophobicContact CE2-CZ3 4.02Å; F346-W379 AromaticContact CZ-CE3 3.72Å; F346-W379 HydrophobicContact CZ-CE3 3.72Å; F346-W379 HydrophobicContact CZ-CH2 4.3Å; F346-W379 AromaticContact CZ-CZ3 3.52Å; F346-W379 HydrophobicContact CZ-CZ3 3.52Å; T360-W379 HydrophobicContact CG2-CH2 4Å; T360-W379 HydrophobicContact CG2-CZ2 3.78Å; T363-W379 HydrophobicContact CG2-CZ3 4.39Å; V364-W379 HydrophobicContact CG2-CH2 3.92Å; V364-W379 HydrophobicContact CG2-CZ3 3.84Å; I367-W379 HydrophobicContact CD1-CZ3 4.3Å; W379-P381 HydrophobicContact CZ2-CB 3.93Å; W379-P381 HydrophobicContact CZ2-CG 3.97Å; W379-P381 PolarHBondContact NE1-O 3.35Å; W379-V388 HydrophobicContact CD2-CB 4.48Å; W379-V388 HydrophobicContact CD2-CG1 3.77Å; W379-V388 HydrophobicContact CD2-CG2 4.14Å; W379-V388 HydrophobicContact CE3-CG1 4.07Å; W379-V388 HydrophobicContact CG-CG1 3.94Å; W379-V388 HydrophobicContact CH2-CG2 4.15Å; W379-V388 HydrophobicContact CZ2-CG2 3.66Å; W379-F394 HydrophobicContact CB-CB 4.11Å; W379-F394 AromaticContact CE3-CD2 3.93Å; W379-F394 HydrophobicContact CE3-CD2 3.93Å; W379-F394 HydrophobicContact CE3-CE2 4.34Å; W379-I395 PolarHBondContact N-O 3.24Å; W379-V397 PolarHBondContact O-N 2.81Å
380	L	95	Very high	93.6	Very high	6 Å²	6	51.4 Å²	51.4	3%	0.031	26%	0.262	C	S	.	.			trans	-82.5	-40.2	176.2	-173.4	63.3	0	0	0	114	I345 Y378 R385 V397 T399 N416	I345-L380 HydrophobicContact CD1-CB 4.14Å; I345-L380 HydrophobicContact CD1-CD1 4.3Å; I345-L380 HydrophobicContact CD1-CD2 4.15Å; I345-L380 HydrophobicContact CD1-CG 4.45Å; I345-L380 HydrophobicContact CG1-CB 3.91Å; I345-L380 HydrophobicContact CG1-CD2 4.28Å; Y378-L380 PolarHBondContact O-N 3.32Å; L380-R385 PolarHBondContact O-NH2 2.91Å; L380-V397 HydrophobicContact CD1-CB 4.14Å; L380-V397 HydrophobicContact CD1-CG1 3.9Å; L380-T399 HydrophobicContact CD1-CG2 3.64Å; L380-T399 HydrophobicContact CG-CG2 4.35Å; L380-N416 HydrophobicContact CD1-CB 3.86Å
381	P	92.4	Very high	93.4	Very high	3 Å²	3	53.7 Å²	53.7	2%	0.019	28%	0.276	C	S	.	.			trans	-58.6	128.2	-171.4	-26.2	34.9	0	0	0	112.9	F346 L348 W379 Q383	F346-P381 HydrophobicContact CD2-CG 4.44Å; F346-P381 HydrophobicContact CE2-CG 4.2Å; F346-P381 WeakPolarHBondContact O-CD 3.46Å; L348-P381 HydrophobicContact CB-CB 4.06Å; L348-P381 HydrophobicContact CB-CG 3.57Å; W379-P381 HydrophobicContact CZ2-CB 3.93Å; W379-P381 HydrophobicContact CZ2-CG 3.97Å; W379-P381 PolarHBondContact NE1-O 3.35Å; P381-Q383 VanDerWaalsContact C-N 3.33Å
382	P	86.6	Confident	93.2	Very high	62 Å²	62	51.3 Å²	51.3	40%	0.403	25%	0.25	S	C	.	.			trans	-75.9	-23.4	178.9	28.2	-33.8	0	0	0	112.7	N384 R385	P382-N384 PolarHBondContact O-N 2.98Å; P382-R385 WeakPolarHBondContact O-CB 3.34Å; P382-R385 PolarHBondContact O-N 3.45Å
383	Q	84.8	Confident	93	Very high	99 Å²	99	57.5 Å²	57.5	46%	0.463	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	133.4	-175.3	-61.6	78.2	12.2	0	0	111.6	P381 R385	P381-Q383 VanDerWaalsContact C-N 3.33Å; Q383-R385 PolarHBondContact O-N 3.44Å; Q383-R385 VanDerWaalsContact O-N 3.11Å
384	N	87.5	Confident	92.9	Very high	86 Å²	86	54.1 Å²	54.1	46%	0.46	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.6	28.3	-179.6	-69.3	3.4	0	0	0	113.8	T360 P382 E386 Y387 V388	T360-N384 HydrophobicContact CG2-CB 3.86Å; P382-N384 PolarHBondContact O-N 2.98Å; N384-E386 PolarHBondContact O-N 2.93Å; N384-E386 VanDerWaalsContact O-N 3.17Å; N384-Y387 WeakPolarHBondContact O-CB 3.2Å; N384-Y387 PolarHBondContact O-N 3.48Å; N384-V388 PolarHBondContact O-N 3.38Å
385	R	88.2	Confident	92.8	Very high	9 Å²	9	53.3 Å²	53.3	3%	0.034	26%	0.262	C	S	.	.	H	α-helix	trans	-54.9	-36.4	-179.8	-169.8	174.1	-76.5	162.2	-9	112.8	L380 P382 Q383 Y387 V388 M389 V397 E403	L380-R385 PolarHBondContact O-NH2 2.91Å; P382-R385 WeakPolarHBondContact O-CB 3.34Å; P382-R385 PolarHBondContact O-N 3.45Å; Q383-R385 PolarHBondContact O-N 3.44Å; Q383-R385 VanDerWaalsContact O-N 3.11Å; R385-Y387 VanDerWaalsContact C-N 3.3Å; R385-Y387 PolarHBondContact O-N 3.49Å; R385-V388 WeakPolarHBondContact O-CB 3.48Å; R385-V388 PolarHBondContact O-N 2.92Å; R385-V388 VanDerWaalsContact O-N 3.11Å; R385-M389 HydrophobicContact CG-CE 3.97Å; R385-M389 HydrophobicContact CG-CG 4.44Å; R385-M389 HydrophobicContact CG-SD 4.42Å; R385-M389 WeakPolarHBondContact O-CG 3.49Å; R385-M389 PolarHBondContact O-N 2.85Å; R385-V397 PolarHBondContact NH2-O 3.44Å; R385-E403 IonicContact NH1-OE2 2.56Å
386	E	88.8	Confident	92.7	Very high	124 Å²	124	47.9 Å²	47.9	58%	0.579	24%	0.237	S	C	*	.	H	α-helix	trans	-59	-38.9	175.7	-166.2	-171.5	171.9	0	0	112.8	N384 K390	N384-E386 PolarHBondContact O-N 2.93Å; N384-E386 VanDerWaalsContact O-N 3.17Å; E386-K390 HydrophobicContact CG-CD 4.43Å; E386-K390 VanDerWaalsContact O-CG 3.3Å; E386-K390 WeakPolarHBondContact O-CG 3.44Å; E386-K390 PolarHBondContact O-N 3.28Å; E386-K390 VanDerWaalsContact O-N 3.11Å; E386-K390 VanDerWaalsContact OE1-CE 3.24Å; E386-K390 WeakPolarHBondContact OE1-CE 3.37Å; E386-K390 IonicContact OE1-NZ 2.79Å; E386-K390 PolarHBondContact OE1-NZ 3.29Å
387	Y	91.7	Very high	92.5	Very high	81 Å²	81	47.2 Å²	47.2	32%	0.318	23%	0.233	S	C	.	.	H	α-helix	trans	-64.5	-43.4	174.6	166.4	-91.2	0	0	0	111.2	T360 E361 V364 N384 R385 K390 T391	T360-Y387 HydrophobicContact CG2-CD1 4.24Å; E361-Y387 HydrophobicContact CB-CE1 4.17Å; E361-Y387 HydrophobicContact CG-CD1 4.25Å; E361-Y387 HydrophobicContact CG-CE1 3.8Å; E361-Y387 HydrophobicContact CG-CE2 4.21Å; V364-Y387 HydrophobicContact CB-CE1 4.23Å; V364-Y387 HydrophobicContact CG1-CE1 4.24Å; V364-Y387 HydrophobicContact CG2-CE1 4.25Å; N384-Y387 WeakPolarHBondContact O-CB 3.2Å; N384-Y387 PolarHBondContact O-N 3.48Å; R385-Y387 VanDerWaalsContact C-N 3.3Å; R385-Y387 PolarHBondContact O-N 3.49Å; Y387-K390 PolarHBondContact O-N 3.29Å; Y387-T391 WeakPolarHBondContact O-CB 3.29Å; Y387-T391 PolarHBondContact O-N 2.92Å; Y387-T391 PolarHBondContact O-OG1 3.45Å
388	V	93.2	Very high	92.2	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-62.8	-46.3	-179.9	-176.3	0	0	0	0	110.7	T360 V364 W379 N384 R385 K390 T391 S392 F394	T360-V388 HydrophobicContact CG2-CG2 3.63Å; V364-V388 HydrophobicContact CG2-CG1 4.33Å; V364-V388 HydrophobicContact CG2-CG2 3.93Å; W379-V388 HydrophobicContact CD2-CB 4.48Å; W379-V388 HydrophobicContact CD2-CG1 3.77Å; W379-V388 HydrophobicContact CD2-CG2 4.14Å; W379-V388 HydrophobicContact CE3-CG1 4.07Å; W379-V388 HydrophobicContact CG-CG1 3.94Å; W379-V388 HydrophobicContact CH2-CG2 4.15Å; W379-V388 HydrophobicContact CZ2-CG2 3.66Å; N384-V388 PolarHBondContact O-N 3.38Å; R385-V388 WeakPolarHBondContact O-CB 3.48Å; R385-V388 PolarHBondContact O-N 2.92Å; R385-V388 VanDerWaalsContact O-N 3.11Å; V388-K390 VanDerWaalsContact C-N 3.29Å; V388-K390 PolarHBondContact O-N 3.29Å; V388-T391 PolarHBondContact O-N 2.89Å; V388-S392 WeakPolarHBondContact CG1-OG 3.33Å; V388-S392 PolarHBondContact O-N 3.48Å; V388-S392 PolarHBondContact O-OG 2.99Å; V388-F394 HydrophobicContact CG1-CD2 3.67Å; V388-F394 HydrophobicContact CG1-CE2 4.28Å
389	M	90.9	Very high	91.8	Very high	58 Å²	58	47.8 Å²	47.8	29%	0.286	24%	0.24	S	C	.	.	H	α-helix	trans	-63.9	-31.9	177.3	-70	-175.4	-70.4	0	0	113.1	R385 Q396 Q410	R385-M389 HydrophobicContact CG-CE 3.97Å; R385-M389 HydrophobicContact CG-CG 4.44Å; R385-M389 HydrophobicContact CG-SD 4.42Å; R385-M389 WeakPolarHBondContact O-CG 3.49Å; R385-M389 PolarHBondContact O-N 2.85Å; M389-Q396 HydrophobicContact CG-CG 4.05Å; M389-Q396 HydrophobicContact SD-CG 4.23Å; M389-Q410 HydrophobicContact SD-CG 4.31Å; M389-Q410 PolarHBondContact SD-OE1 3.36Å
390	K	92.8	Very high	91	Very high	152 Å²	152	51.1 Å²	51.1	66%	0.661	26%	0.258	S	S	*	.	H	α-helix	trans	-75.5	-30.2	175.7	-75.2	173.9	-175.9	169.9	0	113	E386 Y387 V388	E386-K390 HydrophobicContact CG-CD 4.43Å; E386-K390 VanDerWaalsContact O-CG 3.3Å; E386-K390 WeakPolarHBondContact O-CG 3.44Å; E386-K390 PolarHBondContact O-N 3.28Å; E386-K390 VanDerWaalsContact O-N 3.11Å; E386-K390 VanDerWaalsContact OE1-CE 3.24Å; E386-K390 WeakPolarHBondContact OE1-CE 3.37Å; E386-K390 IonicContact OE1-NZ 2.79Å; E386-K390 PolarHBondContact OE1-NZ 3.29Å; Y387-K390 PolarHBondContact O-N 3.29Å; V388-K390 VanDerWaalsContact C-N 3.29Å; V388-K390 PolarHBondContact O-N 3.29Å
391	T	93.9	Very high	89.7	Confident	61 Å²	61	52.5 Å²	52.5	37%	0.374	27%	0.265	S	S	.	.	H	α-helix	trans	-101.5	-17.7	-169.9	-47.5	0	0	0	0	112.5	V364 L368 Y387 V388	V364-T391 HydrophobicContact CG1-CG2 4.38Å; L368-T391 HydrophobicContact CD1-CG2 4.12Å; Y387-T391 WeakPolarHBondContact O-CB 3.29Å; Y387-T391 PolarHBondContact O-N 2.92Å; Y387-T391 PolarHBondContact O-OG1 3.45Å; V388-T391 PolarHBondContact O-N 2.89Å
392	S	93	Very high	88.4	Confident	6 Å²	6	58.5 Å²	58.5	4%	0.042	30%	0.297	C	S	.	.			trans	-148.8	166.2	-173.8	73.1	0	0	0	0	111.8	V388 F394	V388-S392 WeakPolarHBondContact CG1-OG 3.33Å; V388-S392 PolarHBondContact O-N 3.48Å; V388-S392 PolarHBondContact O-OG 2.99Å; S392-F394 WeakPolarHBondContact OG-CD2 3.37Å; S392-F394 WeakPolarHBondContact OG-CE2 3.42Å; S392-F394 WeakPolarHBondContact OG-CG 3.31Å
393	N	92.8	Very high	87.2	Confident	135 Å²	135	58.2 Å²	58.2	72%	0.722	29%	0.29	S	S	*	.			trans	-110.5	37.3	174.6	-66	-17.5	0	0	0	111
394	F	95.9	Very high	85.8	Confident	9 Å²	9	56.3 Å²	56.3	4%	0.039	29%	0.286	C	S	.	.	P	Polyproline II helix	trans	-66.3	149.7	177.6	-56.8	-23.3	0	0	0	111	V364 I367 L368 H374 I377 W379 V388 S392 Q396	V364-F394 HydrophobicContact CG1-CE2 4.44Å; V364-F394 HydrophobicContact CG2-CE2 4.34Å; I367-F394 HydrophobicContact CB-CZ 4.02Å; I367-F394 HydrophobicContact CD1-CE2 4.26Å; I367-F394 HydrophobicContact CG2-CE1 3.8Å; I367-F394 HydrophobicContact CG2-CE2 4.12Å; I367-F394 HydrophobicContact CG2-CZ 3.37Å; L368-F394 HydrophobicContact CD2-CZ 4.22Å; H374-F394 HydrophobicContact CB-CD1 3.9Å; H374-F394 HydrophobicContact CB-CE1 4.1Å; H374-F394 AromaticContact CD2-CE1 3.79Å; H374-F394 AromaticContact CG-CE1 3.76Å; I377-F394 HydrophobicContact CB-CB 4.19Å; I377-F394 HydrophobicContact CB-CD1 3.64Å; I377-F394 HydrophobicContact CB-CD2 4.45Å; I377-F394 HydrophobicContact CB-CE1 4.15Å; I377-F394 HydrophobicContact CB-CG 3.85Å; I377-F394 HydrophobicContact CG1-CD1 4.12Å; I377-F394 HydrophobicContact CG1-CE1 4.14Å; I377-F394 HydrophobicContact CG2-CB 3.98Å; I377-F394 HydrophobicContact CG2-CD1 3.83Å; I377-F394 HydrophobicContact CG2-CD2 3.71Å; I377-F394 HydrophobicContact CG2-CE1 4.25Å; I377-F394 HydrophobicContact CG2-CE2 4.14Å; I377-F394 HydrophobicContact CG2-CG 3.56Å; I377-F394 HydrophobicContact CG2-CZ 4.41Å; W379-F394 HydrophobicContact CB-CB 4.11Å; W379-F394 AromaticContact CE3-CD2 3.93Å; W379-F394 HydrophobicContact CE3-CD2 3.93Å; W379-F394 HydrophobicContact CE3-CE2 4.34Å; V388-F394 HydrophobicContact CG1-CD2 3.67Å; V388-F394 HydrophobicContact CG1-CE2 4.28Å; S392-F394 WeakPolarHBondContact OG-CD2 3.37Å; S392-F394 WeakPolarHBondContact OG-CE2 3.42Å; S392-F394 WeakPolarHBondContact OG-CG 3.31Å; F394-Q396 PolarHBondContact O-N 3.39Å; F394-Q396 PolarHBondContact O-NE2 2.91Å
395	I	94.9	Very high	84.2	Confident	42 Å²	42	60.7 Å²	60.7	22%	0.215	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	116.2	177.5	-61.9	176.3	0	0	0	108.2	E375 I377 Y378 W379	E375-I395 VanDerWaalsContact O-CD1 3.26Å; E375-I395 WeakPolarHBondContact O-CD1 3.33Å; I377-I395 PolarHBondContact O-N 3.38Å; Y378-I395 CarbonylContact C-O 3.55Å; Y378-I395 WeakPolarHBondContact CA-O 3.37Å; Y378-I395 HydrophobicContact CD1-CB 4.24Å; Y378-I395 HydrophobicContact CD1-CD1 4.09Å; Y378-I395 HydrophobicContact CE1-CD1 3.58Å; W379-I395 PolarHBondContact N-O 3.24Å
396	Q	93.5	Very high	82.8	Confident	22 Å²	22	65.1 Å²	65.1	10%	0.103	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	129	179.5	-55.6	-55.2	-54.8	0	0	110.5	M389 F394 Y398	M389-Q396 HydrophobicContact CG-CG 4.05Å; M389-Q396 HydrophobicContact SD-CG 4.23Å; F394-Q396 PolarHBondContact O-N 3.39Å; F394-Q396 PolarHBondContact O-NE2 2.91Å; Q396-Y398 HydrophobicContact CB-CE2 3.91Å
397	V	93.8	Very high	81.7	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	133.2	179.5	-172.5	0	0	0	0	109.6	I345 Y378 W379 L380 R385 H414 N416	I345-V397 HydrophobicContact CD1-CB 4.47Å; I345-V397 HydrophobicContact CD1-CG1 4.14Å; I345-V397 HydrophobicContact CD1-CG2 4.43Å; Y378-V397 HydrophobicContact CD2-CG2 3.93Å; Y378-V397 HydrophobicContact CG-CG2 4.19Å; W379-V397 PolarHBondContact O-N 2.81Å; L380-V397 HydrophobicContact CD1-CB 4.14Å; L380-V397 HydrophobicContact CD1-CG1 3.9Å; R385-V397 PolarHBondContact NH2-O 3.44Å; V397-H414 HydrophobicContact CB-CB 4.37Å; V397-H414 HydrophobicContact CG1-CB 4.26Å; V397-H414 HydrophobicContact CG2-CB 3.94Å; V397-N416 HydrophobicContact CG1-CB 3.53Å
398	Y	91.5	Very high	80.2	Confident	1 Å²	1	59.3 Å²	59.3	0%	0.004	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	148.2	-174	-58.1	-101.8	0	0	0	111	Q396 E403 E406 M407 Q410 H414 L415 N416	Q396-Y398 HydrophobicContact CB-CE2 3.91Å; Y398-E403 HydrophobicContact CD1-CB 4.47Å; Y398-E403 WeakPolarHBondContact CD1-OE2 3.06Å; Y398-E406 HydrophobicContact CE1-CB 4.46Å; Y398-M407 HydrophobicContact CD1-CB 4.15Å; Y398-M407 HydrophobicContact CD2-CB 4.5Å; Y398-M407 HydrophobicContact CD2-CG 4Å; Y398-M407 HydrophobicContact CD2-SD 4.37Å; Y398-M407 HydrophobicContact CE1-CB 4.13Å; Y398-M407 HydrophobicContact CE2-CG 4.12Å; Y398-M407 HydrophobicContact CG-CB 4.36Å; Y398-M407 HydrophobicContact CG-CG 4.23Å; Y398-M407 HydrophobicContact CG-SD 4.41Å; Y398-Q410 PolarHBondContact OH-OE1 3.27Å; Y398-H414 PolarHBondContact N-O 3.42Å; Y398-L415 CarbonylContact O-C 3.06Å; Y398-L415 WeakPolarHBondContact O-CA 3.45Å; Y398-N416 PolarHBondContact O-N 3.27Å
399	T	89.3	Confident	78.6	Confident	47 Å²	47	63.3 Å²	63.3	29%	0.288	34%	0.342	S	S	.	.	S	Bend	trans	-100	-5.8	-176.4	53.7	0	0	0	0	113.6	L380 N416 V417	L380-T399 HydrophobicContact CD1-CG2 3.64Å; L380-T399 HydrophobicContact CG-CG2 4.35Å; T399-N416 WeakPolarHBondContact CA-O 3.18Å; T399-V417 WeakPolarHBondContact O-CG1 3.25Å
400	N	80.4	Confident	77.3	Confident	70 Å²	70	64 Å²	64	37%	0.374	34%	0.344	S	S	.	.			trans	-150.6	140.2	179.2	-165.9	-28.5	0	0	0	111.6	N402 E403	N400-N402 PolarHBondContact O-N 3.03Å; N400-N402 WeakPolarHBondContact OD1-CB 3.32Å; N400-N402 PolarHBondContact OD1-N 3.22Å; N400-E403 HydrophobicContact CB-CG 4.27Å; N400-E403 WeakPolarHBondContact O-CB 3.34Å; N400-E403 PolarHBondContact O-N 3.26Å
401	I	68.6	Low	76.2	Confident	35 Å²	35	63.7 Å²	63.7	18%	0.179	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-25.5	173.8	-152.1	176.5	0	0	0	112.5	E403 T404 M407 E426 L430	I401-E403 PolarHBondContact O-N 3.43Å; I401-T404 WeakPolarHBondContact O-CA 3.4Å; I401-T404 VanDerWaalsContact O-CB 3.23Å; I401-T404 WeakPolarHBondContact O-CB 3.34Å; I401-T404 WeakPolarHBondContact O-CG2 3.26Å; I401-T404 PolarHBondContact O-N 3.44Å; I401-T404 PolarHBondContact O-OG1 2.92Å; I401-M407 HydrophobicContact CG1-CE 4.43Å; I401-E426 HydrophobicContact CD1-CG 4.45Å; I401-E426 WeakPolarHBondContact CD1-OE1 2.93Å; I401-L430 HydrophobicContact CD1-CD1 4.08Å; I401-L430 HydrophobicContact CD1-CD2 4Å; I401-L430 HydrophobicContact CD1-CG 4.41Å
402	N	63.5	Low	75.5	Confident	130 Å²	130	61.2 Å²	61.2	70%	0.695	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-7.7	177.6	-67.4	-17	0	0	0	113	N400 T404	N400-N402 PolarHBondContact O-N 3.03Å; N400-N402 WeakPolarHBondContact OD1-CB 3.32Å; N400-N402 PolarHBondContact OD1-N 3.22Å; N402-T404 PolarHBondContact O-N 2.94Å; N402-T404 PolarHBondContact O-OG1 3.25Å
403	E	62.2	Low	75.3	Confident	55 Å²	55	63.7 Å²	63.7	26%	0.257	35%	0.352	S	S	.	.			trans	-73.2	25	161.9	-63.8	177.4	-176.4	0	0	111.1	R385 Y398 N400 I401 E405 E406 M407	R385-E403 IonicContact NH1-OE2 2.56Å; Y398-E403 HydrophobicContact CD1-CB 4.47Å; Y398-E403 WeakPolarHBondContact CD1-OE2 3.06Å; N400-E403 HydrophobicContact CB-CG 4.27Å; N400-E403 WeakPolarHBondContact O-CB 3.34Å; N400-E403 PolarHBondContact O-N 3.26Å; I401-E403 PolarHBondContact O-N 3.43Å; E403-E405 VanDerWaalsContact C-N 3.27Å; E403-E405 PolarHBondContact O-N 2.97Å; E403-E406 PolarHBondContact O-N 3.28Å; E403-E406 VanDerWaalsContact O-N 3.1Å; E403-M407 WeakPolarHBondContact O-CB 3.26Å; E403-M407 PolarHBondContact O-N 2.97Å
404	T	54.8	Low	75.3	Confident	60 Å²	60	58.7 Å²	58.7	37%	0.368	32%	0.324	S	S	.	.	H	α-helix	trans	-62.4	-30.6	-167.6	-0.7	0	0	0	0	112.6	I401 N402 M407 S408	I401-T404 WeakPolarHBondContact O-CA 3.4Å; I401-T404 VanDerWaalsContact O-CB 3.23Å; I401-T404 WeakPolarHBondContact O-CB 3.34Å; I401-T404 WeakPolarHBondContact O-CG2 3.26Å; I401-T404 PolarHBondContact O-N 3.44Å; I401-T404 PolarHBondContact O-OG1 2.92Å; N402-T404 PolarHBondContact O-N 2.94Å; N402-T404 PolarHBondContact O-OG1 3.25Å; T404-M407 HydrophobicContact CG2-CE 4.18Å; T404-S408 WeakPolarHBondContact O-CA 3.28Å; T404-S408 WeakPolarHBondContact O-CB 3.43Å; T404-S408 PolarHBondContact O-N 3.44Å; T404-S408 PolarHBondContact O-OG 3.42Å
405	E	53.8	Low	75.3	Confident	177 Å²	177	58.3 Å²	58.3	83%	0.827	32%	0.322	S	S	*	.	H	α-helix	trans	-68.3	-45.3	175	-73.9	-173	170.1	0	0	111.6	E403 A409	E403-E405 VanDerWaalsContact C-N 3.27Å; E403-E405 PolarHBondContact O-N 2.97Å; E405-A409 WeakPolarHBondContact O-CB 3.41Å; E405-A409 PolarHBondContact O-N 3.45Å
406	E	60.3	Low	75.3	Confident	102 Å²	102	56.7 Å²	56.7	48%	0.477	31%	0.314	S	S	.	.	H	α-helix	trans	-69.6	-46.1	175.7	-77.2	-170.4	169	0	0	111.7	Y398 E403 S408 A409 Q410	Y398-E406 HydrophobicContact CE1-CB 4.46Å; E403-E406 PolarHBondContact O-N 3.28Å; E403-E406 VanDerWaalsContact O-N 3.1Å; E406-S408 PolarHBondContact O-N 2.92Å; E406-A409 PolarHBondContact O-N 2.92Å; E406-Q410 VanDerWaalsContact O-CB 3.24Å; E406-Q410 WeakPolarHBondContact O-CB 3.45Å; E406-Q410 WeakPolarHBondContact O-CG 3.33Å; E406-Q410 PolarHBondContact O-N 3.27Å
407	M	64.4	Low	75.4	Confident	5 Å²	5	55.8 Å²	55.8	3%	0.025	31%	0.31	C	S	.	.	H	α-helix	trans	-62.6	-44.2	-179.6	-172.1	177.8	66.8	0	0	111.6	Y398 I401 E403 T404 Q410 N411 G412 L415 F435	Y398-M407 HydrophobicContact CD1-CB 4.15Å; Y398-M407 HydrophobicContact CD2-CB 4.5Å; Y398-M407 HydrophobicContact CD2-CG 4Å; Y398-M407 HydrophobicContact CD2-SD 4.37Å; Y398-M407 HydrophobicContact CE1-CB 4.13Å; Y398-M407 HydrophobicContact CE2-CG 4.12Å; Y398-M407 HydrophobicContact CG-CB 4.36Å; Y398-M407 HydrophobicContact CG-CG 4.23Å; Y398-M407 HydrophobicContact CG-SD 4.41Å; I401-M407 HydrophobicContact CG1-CE 4.43Å; E403-M407 WeakPolarHBondContact O-CB 3.26Å; E403-M407 PolarHBondContact O-N 2.97Å; T404-M407 HydrophobicContact CG2-CE 4.18Å; M407-Q410 PolarHBondContact O-N 3.45Å; M407-N411 PolarHBondContact O-N 3.45Å; M407-G412 WeakPolarHBondContact CG-O 3.21Å; M407-G412 PolarHBondContact O-N 3.4Å; M407-L415 HydrophobicContact SD-CD2 3.67Å; M407-L415 HydrophobicContact SD-CG 4.47Å; M407-F435 HydrophobicContact CE-CE1 3.74Å; M407-F435 HydrophobicContact CE-CZ 4.21Å; M407-F435 HydrophobicContact CG-CE1 4.47Å; M407-F435 HydrophobicContact SD-CD1 4.49Å; M407-F435 HydrophobicContact SD-CE1 3.78Å
408	S	60.5	Low	75.4	Confident	79 Å²	79	56.9 Å²	56.9	55%	0.552	32%	0.315	S	S	*	.	H	α-helix	trans	-74.1	-35	178	-53.5	0	0	0	0	112.3	T404 E406 Q410	T404-S408 WeakPolarHBondContact O-CA 3.28Å; T404-S408 WeakPolarHBondContact O-CB 3.43Å; T404-S408 PolarHBondContact O-N 3.44Å; T404-S408 PolarHBondContact O-OG 3.42Å; E406-S408 PolarHBondContact O-N 2.92Å; S408-Q410 PolarHBondContact O-N 2.84Å
409	A	59.7	Low	75.6	Confident	84 Å²	84	56.9 Å²	56.9	69%	0.694	32%	0.315	S	S	*	.	H	α-helix	trans	-67.5	-21.5	175.8	0	0	0	0	0	113	E405 E406	E405-A409 WeakPolarHBondContact O-CB 3.41Å; E405-A409 PolarHBondContact O-N 3.45Å; E406-A409 PolarHBondContact O-N 2.92Å
410	Q	64.2	Low	75.7	Confident	71 Å²	71	55.8 Å²	55.8	33%	0.332	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.4	10.1	-172.2	-62.1	168.1	6.9	0	0	113.4	M389 Y398 E406 M407 S408 G412	M389-Q410 HydrophobicContact SD-CG 4.31Å; M389-Q410 PolarHBondContact SD-OE1 3.36Å; Y398-Q410 PolarHBondContact OH-OE1 3.27Å; E406-Q410 VanDerWaalsContact O-CB 3.24Å; E406-Q410 WeakPolarHBondContact O-CB 3.45Å; E406-Q410 WeakPolarHBondContact O-CG 3.33Å; E406-Q410 PolarHBondContact O-N 3.27Å; M407-Q410 PolarHBondContact O-N 3.45Å; S408-Q410 PolarHBondContact O-N 2.84Å; Q410-G412 PolarHBondContact O-N 3.46Å
411	N	69.9	Low	76.3	Confident	146 Å²	146	56.6 Å²	56.6	78%	0.781	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.4	34	-175.1	-67.2	-24.7	0	0	0	113.4	M407 T413	M407-N411 PolarHBondContact O-N 3.45Å; N411-T413 PolarHBondContact O-N 2.92Å
412	G	78.8	Confident	77.4	Confident	9 Å²	9	55.7 Å²	55.7	9%	0.093	31%	0.309	C	S	.	.			trans	-66.1	130.1	177	0	0	0	0	0	111	M407 Q410 F435	M407-G412 WeakPolarHBondContact CG-O 3.21Å; M407-G412 PolarHBondContact O-N 3.4Å; Q410-G412 PolarHBondContact O-N 3.46Å; G412-F435 VanDerWaalsContact O-CE1 3.28Å; G412-F435 WeakPolarHBondContact O-CE1 3.47Å
413	T	88.3	Confident	78.8	Confident	58 Å²	58	53 Å²	53	36%	0.356	30%	0.298	S	S	.	.			trans	-126.2	3.9	-176.5	50.2	0	0	0	0	113.5	N411 F435 K436	N411-T413 PolarHBondContact O-N 2.92Å; T413-F435 CarbonylContact O-C 3.29Å; T413-F435 VanDerWaalsContact O-CA 3.32Å; T413-F435 WeakPolarHBondContact O-CA 3.28Å; T413-K436 PolarHBondContact O-N 3.28Å
414	H	93.5	Very high	80.3	Confident	30 Å²	30	51 Å²	51	14%	0.139	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	124.9	-175.1	-65.2	68.9	0	0	0	110.7	Y378 V397 Y398 K436	Y378-H414 AromaticContact CE2-CD2 3.98Å; V397-H414 HydrophobicContact CB-CB 4.37Å; V397-H414 HydrophobicContact CG1-CB 4.26Å; V397-H414 HydrophobicContact CG2-CB 3.94Å; Y398-H414 PolarHBondContact N-O 3.42Å; H414-K436 CarbonylContact C-O 3.51Å; H414-K436 WeakPolarHBondContact CA-O 3.47Å
415	L	94.6	Very high	82	Confident	2 Å²	2	53.2 Å²	53.2	1%	0.01	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	135.5	177.4	-66.5	176.7	0	0	0	109.8	Y398 M407 L422 L430 K436 V437 N438	Y398-L415 CarbonylContact O-C 3.06Å; Y398-L415 WeakPolarHBondContact O-CA 3.45Å; M407-L415 HydrophobicContact SD-CD2 3.67Å; M407-L415 HydrophobicContact SD-CG 4.47Å; L415-L422 HydrophobicContact CD1-CD1 4.49Å; L415-L430 HydrophobicContact CD1-CD1 3.81Å; L415-L430 HydrophobicContact CD1-CD2 4.32Å; L415-K436 PolarHBondContact N-O 3.43Å; L415-V437 HydrophobicContact CD1-CG2 4.38Å; L415-N438 WeakPolarHBondContact O-CB 3.29Å; L415-N438 PolarHBondContact O-N 2.93Å
416	N	96.3	Very high	83.9	Confident	7 Å²	7	47.8 Å²	47.8	4%	0.037	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	99.2	170.5	-178.7	58.8	0	0	0	108.2	I345 L380 V397 Y398 T399 N438 Y440	I345-N416 HydrophobicContact CD1-CB 4.3Å; L380-N416 HydrophobicContact CD1-CB 3.86Å; V397-N416 HydrophobicContact CG1-CB 3.53Å; Y398-N416 PolarHBondContact O-N 3.27Å; T399-N416 WeakPolarHBondContact CA-O 3.18Å; N416-N438 PolarHBondContact OD1-ND2 3.19Å; N416-Y440 WeakPolarHBondContact ND2-CE1 3.42Å; N416-Y440 WeakPolarHBondContact OD1-CD1 3.36Å
417	V	94.8	Very high	85.5	Confident	3 Å²	3	43 Å²	43	2%	0.018	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	159.2	-171.2	-69.8	0	0	0	0	110.8	T399 D421 L422 V437 N438 M439 Y440	T399-V417 WeakPolarHBondContact O-CG1 3.25Å; V417-D421 HydrophobicContact CB-CB 4.34Å; V417-L422 HydrophobicContact CG2-CD1 3.89Å; V417-L422 HydrophobicContact CG2-CG 4.23Å; V417-V437 HydrophobicContact CG2-CG1 4.37Å; V417-N438 PolarHBondContact N-O 3.44Å; V417-N438 VanDerWaalsContact N-O 3.07Å; V417-M439 HydrophobicContact CG2-CE 3.66Å; V417-M439 HydrophobicContact CG2-SD 3.47Å; V417-M439 WeakPolarHBondContact CG2-SD 3.47Å; V417-M439 VanDerWaalsContact O-CA 3.32Å; V417-M439 WeakPolarHBondContact O-CA 3.45Å; V417-Y440 WeakPolarHBondContact O-CD1 3.35Å; V417-Y440 WeakPolarHBondContact O-CE1 3.45Å; V417-Y440 PolarHBondContact O-N 2.9Å
418	K	94.6	Very high	86.8	Confident	23 Å²	23	45.4 Å²	45.4	10%	0.1	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	148.1	174	-164.5	175	-175	173.5	0	109	E137 E138 S420 D421 Y440	E137-K418 IonicContact OE2-NZ 2.82Å; E137-K418 PolarHBondContact OE2-NZ 2.95Å; E138-K418 IonicContact OE1-NZ 3.16Å; E138-K418 PolarHBondContact OE1-NZ 2.87Å; K418-S420 PolarHBondContact O-N 3.45Å; K418-D421 VanDerWaalsContact CB-OD2 3.22Å; K418-D421 WeakPolarHBondContact CB-OD2 3.31Å; K418-D421 PolarHBondContact N-OD2 3.01Å; K418-D421 VanDerWaalsContact N-OD2 3.11Å; K418-D421 PolarHBondContact O-N 3.3Å; K418-Y440 WeakPolarHBondContact CA-O 3.46Å
419	Y	94.9	Very high	88.2	Confident	1 Å²	1	45.9 Å²	45.9	0%	0.004	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-17.6	-178.6	66.7	-105.8	0	0	0	114.3	D57 E138 I141 L144 Y440 M447	D57-Y419 WeakPolarHBondContact OD1-CE1 3.49Å; D57-Y419 PolarHBondContact OD1-OH 3.21Å; D57-Y419 PolarHBondContact OD2-OH 2.68Å; E138-Y419 PolarHBondContact OE2-OH 2.88Å; I141-Y419 HydrophobicContact CB-CE2 4.19Å; I141-Y419 HydrophobicContact CD1-CE2 4.43Å; I141-Y419 HydrophobicContact CG1-CE2 4.05Å; L144-Y419 HydrophobicContact CD1-CD2 3.74Å; L144-Y419 HydrophobicContact CD1-CE2 3.93Å; Y419-Y440 WeakPolarHBondContact CD1-O 3.36Å; Y419-Y440 PolarHBondContact N-O 3.46Å; Y419-M447 HydrophobicContact CD2-CE 3.53Å; Y419-M447 HydrophobicContact CD2-SD 4.26Å; Y419-M447 HydrophobicContact CE2-CE 3.65Å; Y419-M447 HydrophobicContact CG-CE 4.24Å
420	S	92.2	Very high	89.8	Confident	25 Å²	25	42.5 Å²	42.5	18%	0.175	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-11.8	-179.5	50.2	0	0	0	0	115.8	K418	K418-S420 PolarHBondContact O-N 3.45Å
421	D	91.7	Very high	91.1	Very high	86 Å²	86	42.3 Å²	42.3	46%	0.46	23%	0.225	S	C	.	.	S	Bend	trans	-86.8	-25.6	-160.9	-64.1	-10	0	0	0	113.3	V417 K418	V417-D421 HydrophobicContact CB-CB 4.34Å; K418-D421 VanDerWaalsContact CB-OD2 3.22Å; K418-D421 WeakPolarHBondContact CB-OD2 3.31Å; K418-D421 PolarHBondContact N-OD2 3.01Å; K418-D421 VanDerWaalsContact N-OD2 3.11Å; K418-D421 PolarHBondContact O-N 3.3Å
422	L	91.9	Very high	92	Very high	17 Å²	17	43.2 Å²	43.2	9%	0.089	22%	0.222	C	C	.	.	S	Bend	trans	-120.4	130.4	-178.3	-62	-179.5	0	0	0	112.1	L415 V417 E426 I427 L430 V437 M439	L415-L422 HydrophobicContact CD1-CD1 4.49Å; V417-L422 HydrophobicContact CG2-CD1 3.89Å; V417-L422 HydrophobicContact CG2-CG 4.23Å; L422-E426 HydrophobicContact CD2-CG 4.42Å; L422-I427 HydrophobicContact CB-CD1 4.42Å; L422-I427 HydrophobicContact CB-CG1 3.93Å; L422-L430 HydrophobicContact CD1-CD1 3.91Å; L422-V437 HydrophobicContact CD1-CG1 4.32Å; L422-M439 HydrophobicContact CB-CE 3.89Å; L422-M439 HydrophobicContact CD1-CE 4.12Å; L422-M439 HydrophobicContact CG-CE 4.36Å
423	P	93.2	Very high	92.5	Very high	72 Å²	72	48.5 Å²	48.5	47%	0.468	25%	0.248	S	C	.	.			trans	-70.9	155.1	171.9	30.6	-33.6	0	0	0	111.5	D425 E426 I427	P423-D425 VanDerWaalsContact C-N 3.3Å; P423-D425 PolarHBondContact O-N 2.97Å; P423-E426 WeakPolarHBondContact CD-OE2 3.33Å; P423-E426 HydrophobicContact CG-CB 3.76Å; P423-E426 WeakPolarHBondContact CG-OE2 3.42Å; P423-E426 WeakPolarHBondContact O-CB 3.3Å; P423-E426 PolarHBondContact O-N 2.97Å; P423-E426 VanDerWaalsContact O-N 3.09Å; P423-I427 WeakPolarHBondContact O-CG1 3.36Å; P423-I427 PolarHBondContact O-N 3.39Å; P423-I427 VanDerWaalsContact O-N 3.08Å
424	A	93.3	Very high	92.6	Very high	14 Å²	14	47.9 Å²	47.9	12%	0.116	25%	0.253	C	S	.	.	H	α-helix	trans	-59.1	-35	-174.6	0	0	0	0	0	114.7	P204 I427 R428 A454	P204-A424 HydrophobicContact CB-CB 4.03Å; P204-A424 HydrophobicContact CG-CB 3.53Å; A424-I427 PolarHBondContact O-N 3.03Å; A424-R428 VanDerWaalsContact O-CG 3.31Å; A424-R428 WeakPolarHBondContact O-CG 3.47Å; A424-R428 PolarHBondContact O-N 3Å; A424-A454 HydrophobicContact CB-CB 3.73Å
425	D	91.7	Very high	92.6	Very high	107 Å²	107	48.3 Å²	48.3	57%	0.572	26%	0.255	S	S	*	.	H	α-helix	trans	-70.5	-33.9	179.1	-67.1	-32.9	0	0	0	112.1	P423 R428 N429	P423-D425 VanDerWaalsContact C-N 3.3Å; P423-D425 PolarHBondContact O-N 2.97Å; D425-R428 PolarHBondContact O-N 2.82Å; D425-R428 IonicContact OD1-NH1 2.63Å; D425-R428 PolarHBondContact OD1-NH1 3.31Å; D425-N429 VanDerWaalsContact O-CG 3.22Å; D425-N429 PolarHBondContact O-N 2.72Å; D425-N429 PolarHBondContact O-ND2 3.21Å
426	E	92.7	Very high	92.6	Very high	63 Å²	63	53 Å²	53	29%	0.294	28%	0.275	S	S	.	.	H	α-helix	trans	-69.5	-42.4	174.7	-173.8	168.9	178.4	0	0	111.3	I401 L422 P423 R428 N429 L430	I401-E426 HydrophobicContact CD1-CG 4.45Å; I401-E426 WeakPolarHBondContact CD1-OE1 2.93Å; L422-E426 HydrophobicContact CD2-CG 4.42Å; P423-E426 WeakPolarHBondContact CD-OE2 3.33Å; P423-E426 HydrophobicContact CG-CB 3.76Å; P423-E426 WeakPolarHBondContact CG-OE2 3.42Å; P423-E426 WeakPolarHBondContact O-CB 3.3Å; P423-E426 PolarHBondContact O-N 2.97Å; P423-E426 VanDerWaalsContact O-N 3.09Å; E426-R428 VanDerWaalsContact C-N 3.29Å; E426-R428 PolarHBondContact O-N 3.19Å; E426-N429 PolarHBondContact O-N 3.28Å; E426-N429 VanDerWaalsContact O-N 3.15Å; E426-L430 HydrophobicContact CG-CD1 4.23Å; E426-L430 WeakPolarHBondContact O-CG 3.41Å; E426-L430 PolarHBondContact O-N 3.4Å
427	I	93.6	Very high	92.6	Very high	1 Å²	1	52.7 Å²	52.7	1%	0.005	27%	0.273	C	S	.	.	H	α-helix	trans	-54	-48.4	171.4	-62.5	168.4	0	0	0	109.9	L422 P423 A424 N429 L430 R431 M439 A454 V456	L422-I427 HydrophobicContact CB-CD1 4.42Å; L422-I427 HydrophobicContact CB-CG1 3.93Å; P423-I427 WeakPolarHBondContact O-CG1 3.36Å; P423-I427 PolarHBondContact O-N 3.39Å; P423-I427 VanDerWaalsContact O-N 3.08Å; A424-I427 PolarHBondContact O-N 3.03Å; I427-N429 VanDerWaalsContact C-N 3.33Å; I427-N429 PolarHBondContact O-N 2.97Å; I427-L430 PolarHBondContact O-N 3.02Å; I427-R431 HydrophobicContact CG2-CG 4.21Å; I427-R431 WeakPolarHBondContact O-CB 3.46Å; I427-R431 WeakPolarHBondContact O-CG 3.26Å; I427-R431 PolarHBondContact O-N 3.47Å; I427-M439 HydrophobicContact CD1-CE 3.46Å; I427-M439 VanDerWaalsContact CD1-CE 3.46Å; I427-M439 HydrophobicContact CG1-CE 3.75Å; I427-A454 HydrophobicContact CD1-CB 4.02Å; I427-A454 WeakPolarHBondContact CG2-O 3.37Å; I427-V456 HydrophobicContact CD1-CG1 3.98Å; I427-V456 HydrophobicContact CG2-CG1 3.86Å
428	R	91.9	Very high	92.7	Very high	56 Å²	56	52.6 Å²	52.6	21%	0.211	27%	0.273	C	S	.	.	H	α-helix	trans	-62.3	-39.2	179.8	-71.4	170.2	179.9	164.8	-3.5	112.8	P204 A424 D425 E426 R431 K432 C453 A454	P204-R428 PolarHBondContact O-NH2 3.25Å; P204-R428 VanDerWaalsContact O-NH2 3.12Å; A424-R428 VanDerWaalsContact O-CG 3.31Å; A424-R428 WeakPolarHBondContact O-CG 3.47Å; A424-R428 PolarHBondContact O-N 3Å; D425-R428 PolarHBondContact O-N 2.82Å; D425-R428 IonicContact OD1-NH1 2.63Å; D425-R428 PolarHBondContact OD1-NH1 3.31Å; E426-R428 VanDerWaalsContact C-N 3.29Å; E426-R428 PolarHBondContact O-N 3.19Å; R428-R431 PolarHBondContact O-N 2.86Å; R428-K432 WeakPolarHBondContact O-CG 3.49Å; R428-K432 PolarHBondContact O-N 3.16Å; R428-C453 PolarHBondContact NH2-O 2.99Å; R428-A454 VanDerWaalsContact CG-O 3.23Å; R428-A454 WeakPolarHBondContact CG-O 3.35Å
429	N	91.5	Very high	92.9	Very high	88 Å²	88	51.5 Å²	51.5	47%	0.471	27%	0.268	S	S	.	.	H	α-helix	trans	-66.2	-49.7	178.2	-68.8	-20.9	0	0	0	110.8	D425 E426 I427 R431 K432 D433	D425-N429 VanDerWaalsContact O-CG 3.22Å; D425-N429 PolarHBondContact O-N 2.72Å; D425-N429 PolarHBondContact O-ND2 3.21Å; E426-N429 PolarHBondContact O-N 3.28Å; E426-N429 VanDerWaalsContact O-N 3.15Å; I427-N429 VanDerWaalsContact C-N 3.33Å; I427-N429 PolarHBondContact O-N 2.97Å; N429-R431 PolarHBondContact O-N 3.36Å; N429-K432 WeakPolarHBondContact O-CB 3.45Å; N429-K432 PolarHBondContact O-N 2.97Å; N429-D433 PolarHBondContact O-N 2.78Å
430	L	91.6	Very high	92.9	Very high	14 Å²	14	55.1 Å²	55.1	7%	0.073	28%	0.282	C	S	.	.	H	α-helix	trans	-53.8	-43.2	174.5	-73.6	167.8	0	0	0	112	I401 L415 L422 E426 I427 K432 D433 G434 F435 V437	I401-L430 HydrophobicContact CD1-CD1 4.08Å; I401-L430 HydrophobicContact CD1-CD2 4Å; I401-L430 HydrophobicContact CD1-CG 4.41Å; L415-L430 HydrophobicContact CD1-CD1 3.81Å; L415-L430 HydrophobicContact CD1-CD2 4.32Å; L422-L430 HydrophobicContact CD1-CD1 3.91Å; E426-L430 HydrophobicContact CG-CD1 4.23Å; E426-L430 WeakPolarHBondContact O-CG 3.41Å; E426-L430 PolarHBondContact O-N 3.4Å; I427-L430 PolarHBondContact O-N 3.02Å; L430-K432 PolarHBondContact O-N 3.37Å; L430-D433 CarbonylContact O-C 3.2Å; L430-D433 PolarHBondContact O-N 3.41Å; L430-D433 VanDerWaalsContact O-N 3.16Å; L430-G434 PolarHBondContact O-N 2.93Å; L430-F435 HydrophobicContact CB-CB 4.08Å; L430-F435 HydrophobicContact CB-CG 4.47Å; L430-F435 HydrophobicContact CD2-CB 4.45Å; L430-F435 HydrophobicContact CD2-CD1 4.32Å; L430-F435 HydrophobicContact CD2-CD2 4.02Å; L430-F435 HydrophobicContact CD2-CE2 4.36Å; L430-F435 HydrophobicContact CD2-CG 4Å; L430-F435 WeakPolarHBondContact O-CB 3.25Å; L430-F435 WeakPolarHBondContact O-CD2 3.3Å; L430-F435 PolarHBondContact O-N 2.88Å; L430-V437 HydrophobicContact CB-CG2 4.11Å; L430-V437 HydrophobicContact CD1-CG2 4.25Å
431	R	91.4	Very high	93.1	Very high	67 Å²	67	55 Å²	55	25%	0.253	28%	0.28	S	S	.	.	H	α-helix	trans	-67.1	-34.3	179.8	-67.3	-72.9	-63.5	150.1	-7.5	113	I427 R428 N429 D433 G434 F435 G455 S457	I427-R431 HydrophobicContact CG2-CG 4.21Å; I427-R431 WeakPolarHBondContact O-CB 3.46Å; I427-R431 WeakPolarHBondContact O-CG 3.26Å; I427-R431 PolarHBondContact O-N 3.47Å; R428-R431 PolarHBondContact O-N 2.86Å; N429-R431 PolarHBondContact O-N 3.36Å; R431-D433 VanDerWaalsContact C-N 3.29Å; R431-G434 PolarHBondContact O-N 3.46Å; R431-F435 WeakPolarHBondContact CD-O 3.33Å; R431-F435 PolarHBondContact NH1-O 3.43Å; R431-G455 WeakPolarHBondContact CD-O 3.31Å; R431-G455 VanDerWaalsContact CG-O 3.25Å; R431-G455 WeakPolarHBondContact CG-O 3.43Å; R431-G455 PolarHBondContact NE-O 3.28Å; R431-S457 WeakPolarHBondContact CD-OG 3.34Å; R431-S457 PolarHBondContact NE-OG 2.9Å; R431-S457 PolarHBondContact NH1-OG 3.3Å
432	K	90.6	Very high	93.4	Very high	164 Å²	164	50.9 Å²	50.9	71%	0.713	26%	0.258	S	S	*	.	H	α-helix	trans	-66.9	-33.9	172.5	-73.2	170.5	-176.5	173.5	0	111.7	R428 N429 L430 G434	R428-K432 WeakPolarHBondContact O-CG 3.49Å; R428-K432 PolarHBondContact O-N 3.16Å; N429-K432 WeakPolarHBondContact O-CB 3.45Å; N429-K432 PolarHBondContact O-N 2.97Å; L430-K432 PolarHBondContact O-N 3.37Å; K432-G434 PolarHBondContact O-N 3.2Å
433	D	89.4	Confident	93.7	Very high	121 Å²	121	50.5 Å²	50.5	65%	0.647	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.4	4.7	178	-61.4	-20.9	0	0	0	112.9	N429 L430 R431 F435	N429-D433 PolarHBondContact O-N 2.78Å; L430-D433 CarbonylContact O-C 3.2Å; L430-D433 PolarHBondContact O-N 3.41Å; L430-D433 VanDerWaalsContact O-N 3.16Å; R431-D433 VanDerWaalsContact C-N 3.29Å; D433-F435 HydrophobicContact CB-CD2 3.96Å; D433-F435 HydrophobicContact CB-CE2 4.11Å
434	G	90.1	Very high	93.9	Very high	45 Å²	45	49.1 Å²	49.1	46%	0.464	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	90.8	2.6	173.9	0	0	0	0	0	115	L430 R431 K432	L430-G434 PolarHBondContact O-N 2.93Å; R431-G434 PolarHBondContact O-N 3.46Å; K432-G434 PolarHBondContact O-N 3.2Å
435	F	91.8	Very high	94.1	Very high	39 Å²	39	54 Å²	54	17%	0.171	26%	0.259	C	S	.	.			trans	-66.7	146.9	178.4	-72.1	-103.2	0	0	0	112	M407 G412 T413 L430 R431 D433 V437	M407-F435 HydrophobicContact CE-CE1 3.74Å; M407-F435 HydrophobicContact CE-CZ 4.21Å; M407-F435 HydrophobicContact CG-CE1 4.47Å; M407-F435 HydrophobicContact SD-CD1 4.49Å; M407-F435 HydrophobicContact SD-CE1 3.78Å; G412-F435 VanDerWaalsContact O-CE1 3.28Å; G412-F435 WeakPolarHBondContact O-CE1 3.47Å; T413-F435 CarbonylContact O-C 3.29Å; T413-F435 VanDerWaalsContact O-CA 3.32Å; T413-F435 WeakPolarHBondContact O-CA 3.28Å; L430-F435 HydrophobicContact CB-CB 4.08Å; L430-F435 HydrophobicContact CB-CG 4.47Å; L430-F435 HydrophobicContact CD2-CB 4.45Å; L430-F435 HydrophobicContact CD2-CD1 4.32Å; L430-F435 HydrophobicContact CD2-CD2 4.02Å; L430-F435 HydrophobicContact CD2-CE2 4.36Å; L430-F435 HydrophobicContact CD2-CG 4Å; L430-F435 WeakPolarHBondContact O-CB 3.25Å; L430-F435 WeakPolarHBondContact O-CD2 3.3Å; L430-F435 PolarHBondContact O-N 2.88Å; R431-F435 WeakPolarHBondContact CD-O 3.33Å; R431-F435 PolarHBondContact NH1-O 3.43Å; D433-F435 HydrophobicContact CB-CD2 3.96Å; D433-F435 HydrophobicContact CB-CE2 4.11Å; F435-V437 HydrophobicContact CB-CG2 4.44Å
436	K	94.9	Very high	94.3	Very high	100 Å²	100	50.7 Å²	50.7	44%	0.435	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	115.9	167	-58.3	-56.9	-175.2	177.7	0	108.3	T413 H414 L415 S457	T413-K436 PolarHBondContact O-N 3.28Å; H414-K436 CarbonylContact C-O 3.51Å; H414-K436 WeakPolarHBondContact CA-O 3.47Å; L415-K436 PolarHBondContact N-O 3.43Å; K436-S457 WeakPolarHBondContact CA-OG 3.39Å
437	V	96.1	Very high	94.6	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	112	-178.3	-174.2	0	0	0	0	108.6	L415 V417 L422 L430 F435 M439 S457 S458	L415-V437 HydrophobicContact CD1-CG2 4.38Å; V417-V437 HydrophobicContact CG2-CG1 4.37Å; L422-V437 HydrophobicContact CD1-CG1 4.32Å; L430-V437 HydrophobicContact CB-CG2 4.11Å; L430-V437 HydrophobicContact CD1-CG2 4.25Å; F435-V437 HydrophobicContact CB-CG2 4.44Å; V437-M439 HydrophobicContact CG1-CE 3.61Å; V437-S457 PolarHBondContact N-OG 3.24Å; V437-S457 WeakPolarHBondContact O-CB 3.41Å; V437-S457 PolarHBondContact O-N 2.93Å; V437-S458 PolarHBondContact O-N 2.94Å
438	N	98.1	Very high	94.8	Very high	1 Å²	1	47.6 Å²	47.6	1%	0.005	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	139.6	169.4	-171.6	64.4	0	0	0	110.2	W220 L415 N416 V417 S458 V459 T460	W220-N438 HydrophobicContact CE3-CB 4.17Å; W220-N438 VanDerWaalsContact CE3-ND2 3.3Å; W220-N438 HydrophobicContact CH2-CB 3.66Å; W220-N438 HydrophobicContact CZ2-CB 4.01Å; W220-N438 HydrophobicContact CZ3-CB 3.72Å; W220-N438 VanDerWaalsContact CZ3-CG 3.43Å; W220-N438 WeakPolarHBondContact CZ3-ND2 3.44Å; L415-N438 WeakPolarHBondContact O-CB 3.29Å; L415-N438 PolarHBondContact O-N 2.93Å; N416-N438 PolarHBondContact OD1-ND2 3.19Å; V417-N438 PolarHBondContact N-O 3.44Å; V417-N438 VanDerWaalsContact N-O 3.07Å; N438-S458 WeakPolarHBondContact CA-O 3.35Å; N438-S458 WeakPolarHBondContact CA-OG 3.35Å; N438-S458 VanDerWaalsContact CB-OG 3.28Å; N438-S458 WeakPolarHBondContact CB-OG 3.34Å; N438-S458 VanDerWaalsContact OD1-CB 3.29Å; N438-S458 WeakPolarHBondContact OD1-CB 3.46Å; N438-S458 PolarHBondContact OD1-O 3.02Å; N438-S458 PolarHBondContact OD1-OG 3.04Å; N438-V459 WeakPolarHBondContact OD1-CA 3.35Å; N438-V459 PolarHBondContact OD1-N 2.98Å; N438-T460 PolarHBondContact ND2-OG1 2.96Å
439	M	97.6	Very high	95.1	Very high	0 Å²	0	45 Å²	45	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	132.2	177.3	-65.8	-73.2	176.1	0	0	110.5	V417 L422 I427 V437 V442 L451 V456 S458 V459 T460	V417-M439 HydrophobicContact CG2-CE 3.66Å; V417-M439 HydrophobicContact CG2-SD 3.47Å; V417-M439 WeakPolarHBondContact CG2-SD 3.47Å; V417-M439 VanDerWaalsContact O-CA 3.32Å; V417-M439 WeakPolarHBondContact O-CA 3.45Å; L422-M439 HydrophobicContact CB-CE 3.89Å; L422-M439 HydrophobicContact CD1-CE 4.12Å; L422-M439 HydrophobicContact CG-CE 4.36Å; I427-M439 HydrophobicContact CD1-CE 3.46Å; I427-M439 VanDerWaalsContact CD1-CE 3.46Å; I427-M439 HydrophobicContact CG1-CE 3.75Å; V437-M439 HydrophobicContact CG1-CE 3.61Å; M439-V442 HydrophobicContact CB-CG2 4.43Å; M439-L451 HydrophobicContact CB-CD1 3.97Å; M439-L451 HydrophobicContact CG-CD1 4.3Å; M439-L451 HydrophobicContact CG-CD2 4.31Å; M439-V456 HydrophobicContact CE-CG1 4.32Å; M439-V456 HydrophobicContact CG-CB 4.45Å; M439-V456 HydrophobicContact CG-CG1 3.75Å; M439-S458 PolarHBondContact N-O 3Å; M439-V459 VanDerWaalsContact O-CA 3.32Å; M439-V459 WeakPolarHBondContact O-CA 3.3Å; M439-T460 PolarHBondContact O-N 3.34Å
440	Y	96.5	Very high	95.3	Very high	77 Å²	77	40.9 Å²	40.9	30%	0.302	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	158.7	179.1	71.2	-91	0	0	0	113.1	N416 V417 K418 Y419	N416-Y440 WeakPolarHBondContact ND2-CE1 3.42Å; N416-Y440 WeakPolarHBondContact OD1-CD1 3.36Å; V417-Y440 WeakPolarHBondContact O-CD1 3.35Å; V417-Y440 WeakPolarHBondContact O-CE1 3.45Å; V417-Y440 PolarHBondContact O-N 2.9Å; K418-Y440 WeakPolarHBondContact CA-O 3.46Å; Y419-Y440 WeakPolarHBondContact CD1-O 3.36Å; Y419-Y440 PolarHBondContact N-O 3.46Å
441	V	96.4	Very high	95.6	Very high	22 Å²	22	40.4 Å²	40.4	13%	0.133	19%	0.19	C	C	.	.			cis	-94	124.9	-25.5	-172.5	0	0	0	0	107.9	N56 H222 T460	N56-V441 PolarHBondContact ND2-O 3.06Å; H222-V441 HydrophobicContact CB-CG1 4.3Å; V441-T460 WeakPolarHBondContact CA-O 3.4Å
442	V	98.1	Very high	95.8	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	18%	0.18	C	C	.	.			trans	-103.8	118.2	-175.8	-177.3	0	0	0	0	109	M439 M447 F448 L451 V459 T460 T461 F467	M439-V442 HydrophobicContact CB-CG2 4.43Å; V442-M447 HydrophobicContact CG1-CB 4.01Å; V442-M447 HydrophobicContact CG1-CG 3.8Å; V442-M447 HydrophobicContact CG2-CG 4.5Å; V442-F448 HydrophobicContact CG1-CB 4.11Å; V442-L451 HydrophobicContact CG1-CD1 4.34Å; V442-L451 HydrophobicContact CG2-CD1 3.49Å; V442-L451 VanDerWaalsContact CG2-CD1 3.49Å; V442-V459 HydrophobicContact CB-CB 4.16Å; V442-V459 HydrophobicContact CB-CG1 4.46Å; V442-V459 HydrophobicContact CG2-CB 4.1Å; V442-V459 HydrophobicContact CG2-CG1 4.12Å; V442-T460 PolarHBondContact N-O 3.44Å; V442-T461 WeakPolarHBondContact O-CA 3.33Å; V442-T461 WeakPolarHBondContact O-CB 3.38Å; V442-T461 PolarHBondContact O-OG1 3.14Å; V442-F467 HydrophobicContact CB-CE2 4.44Å; V442-F467 HydrophobicContact CG1-CE2 3.99Å; V442-F467 HydrophobicContact CG1-CZ 4.18Å; V442-F467 VanDerWaalsContact O-CE2 3.27Å; V442-F467 WeakPolarHBondContact O-CE2 3.37Å
443	N	97.4	Very high	96.1	Very high	9 Å²	9	30 Å²	30	5%	0.048	15%	0.146	C	C	.	.			trans	-121.7	-19.3	-174.5	-64.3	-41.2	0	0	0	113.5	N56 M227 N462 N463	N56-N443 PolarHBondContact O-ND2 3.26Å; N56-N443 PolarHBondContact OD1-N 3.36Å; M227-N443 HydrophobicContact CE-CB 4.39Å; N443-N462 PolarHBondContact ND2-ND2 2.87Å; N443-N462 WeakPolarHBondContact OD1-CB 3.39Å; N443-N462 PolarHBondContact OD1-N 2.94Å; N443-N462 PolarHBondContact OD1-ND2 3.21Å; N443-N463 WeakPolarHBondContact O-CB 3.3Å; N443-N463 PolarHBondContact O-ND2 2.75Å
444	E	97.3	Very high	96.4	Very high	44 Å²	44	24.3 Å²	24.3	21%	0.206	12%	0.116	C	C	.	.			trans	-101	141.4	-179.7	-72.3	-56.1	117	0	0	114.4	F55 N56 W446 M447 F448	F55-E444 HydrophobicContact CD1-CG 4.22Å; F55-E444 WeakPolarHBondContact CD1-OE1 3.26Å; F55-E444 VanDerWaalsContact CE1-OE1 3.25Å; F55-E444 WeakPolarHBondContact CE1-OE1 3.13Å; N56-E444 HydrophobicContact CB-CB 4.47Å; N56-E444 HydrophobicContact CB-CG 4Å; N56-E444 PolarHBondContact OD1-N 2.87Å; N56-E444 VanDerWaalsContact OD1-N 3.13Å; E444-W446 VanDerWaalsContact C-N 3.29Å; E444-W446 HydrophobicContact CB-CG 4.34Å; E444-W446 PolarHBondContact O-N 3.48Å; E444-M447 HydrophobicContact CB-CB 4.49Å; E444-M447 PolarHBondContact O-N 3.48Å; E444-F448 PolarHBondContact O-N 3.34Å
445	R	97.1	Very high	96.6	Very high	116 Å²	116	22.7 Å²	22.7	44%	0.438	10%	0.099	S	C	.	.	H	α-helix	trans	-60.4	-36.9	-179	-71.5	-179.3	64.1	155.8	3.6	113.2	M447 S449 V466 F467 M470 D474	R445-M447 VanDerWaalsContact C-N 3.34Å; R445-S449 VanDerWaalsContact O-CB 3.31Å; R445-S449 WeakPolarHBondContact O-CB 3.37Å; R445-S449 PolarHBondContact O-N 2.89Å; R445-S449 PolarHBondContact O-OG 3.38Å; R445-V466 HydrophobicContact CG-CG1 3.66Å; R445-F467 HydrophobicContact CG-CE1 4.2Å; R445-M470 HydrophobicContact CB-SD 4.35Å; R445-M470 HydrophobicContact CG-SD 4.01Å; R445-D474 WeakPolarHBondContact CB-OD2 3.36Å; R445-D474 IonicContact CZ-OD1 3.5Å; R445-D474 VanDerWaalsContact CZ-OD1 3.31Å; R445-D474 IonicContact NE-OD1 3.82Å; R445-D474 PolarHBondContact NE-OD1 3.16Å; R445-D474 VanDerWaalsContact NE-OD1 3.16Å; R445-D474 IonicContact NE-OD2 3.28Å; R445-D474 IonicContact NH2-OD1 2.76Å; R445-D474 PolarHBondContact NH2-OD1 2.9Å
446	W	97.1	Very high	96.8	Very high	37 Å²	37	20.9 Å²	20.9	14%	0.14	9%	0.092	C	C	.	.	H	α-helix	trans	-66.2	-39.9	179.3	70.6	-99.8	0	0	0	111.1	V53 I141 Y148 E444 S449 L450	V53-W446 HydrophobicContact CG1-CH2 3.97Å; V53-W446 HydrophobicContact CG1-CZ2 3.71Å; I141-W446 HydrophobicContact CD1-CH2 4.27Å; I141-W446 HydrophobicContact CD1-CZ2 4Å; I141-W446 HydrophobicContact CG1-CH2 3.82Å; I141-W446 HydrophobicContact CG1-CZ2 4.04Å; Y148-W446 HydrophobicContact CD1-CB 3.78Å; Y148-W446 HydrophobicContact CD1-CE3 4.41Å; Y148-W446 HydrophobicContact CE1-CB 3.43Å; Y148-W446 VanDerWaalsContact CE1-CB 3.43Å; Y148-W446 WeakPolarHBondContact CE2-O 3.37Å; Y148-W446 HydrophobicContact CG-CB 4.46Å; Y148-W446 HydrophobicContact CG-CE3 4.3Å; E444-W446 VanDerWaalsContact C-N 3.29Å; E444-W446 HydrophobicContact CB-CG 4.34Å; E444-W446 PolarHBondContact O-N 3.48Å; W446-S449 PolarHBondContact O-N 3.46Å; W446-L450 HydrophobicContact CZ3-CD2 4.31Å; W446-L450 WeakPolarHBondContact O-CB 3.44Å; W446-L450 PolarHBondContact O-N 2.87Å
447	M	97.8	Very high	96.9	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-70.5	-44.2	178	-175.4	68	86.8	0	0	110.5	I141 L144 Y419 V442 E444 R445 S449 L450 L451	I141-M447 HydrophobicContact CD1-CE 4.04Å; I141-M447 HydrophobicContact CG1-CE 3.62Å; L144-M447 HydrophobicContact CB-CE 4.33Å; L144-M447 HydrophobicContact CD1-CE 4.28Å; L144-M447 HydrophobicContact CD2-SD 4.4Å; Y419-M447 HydrophobicContact CD2-CE 3.53Å; Y419-M447 HydrophobicContact CD2-SD 4.26Å; Y419-M447 HydrophobicContact CE2-CE 3.65Å; Y419-M447 HydrophobicContact CG-CE 4.24Å; V442-M447 HydrophobicContact CG1-CB 4.01Å; V442-M447 HydrophobicContact CG1-CG 3.8Å; V442-M447 HydrophobicContact CG2-CG 4.5Å; E444-M447 HydrophobicContact CB-CB 4.49Å; E444-M447 PolarHBondContact O-N 3.48Å; R445-M447 VanDerWaalsContact C-N 3.34Å; M447-S449 VanDerWaalsContact C-N 3.3Å; M447-S449 PolarHBondContact O-N 3.44Å; M447-L450 WeakPolarHBondContact O-CB 3.35Å; M447-L450 PolarHBondContact O-N 3.36Å; M447-L450 HydrophobicContact SD-CD2 4.2Å; M447-L451 HydrophobicContact CG-CD1 4.07Å; M447-L451 HydrophobicContact CG-CG 4.47Å; M447-L451 WeakPolarHBondContact O-CG 3.44Å; M447-L451 PolarHBondContact O-N 3.38Å; M447-L451 HydrophobicContact SD-CD1 4.5Å; M447-L451 HydrophobicContact SD-CG 4.48Å
448	F	98.1	Very high	97	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-58.3	-43.5	174.4	-177.1	-114.6	0	0	0	112	K216 P217 L219 V442 E444 L451 W452 V459 F467 M470	K216-F448 HydrophobicContact CG-CZ 4.48Å; P217-F448 HydrophobicContact CB-CE2 4.02Å; P217-F448 HydrophobicContact CB-CZ 4.4Å; P217-F448 HydrophobicContact CG-CE2 4.12Å; P217-F448 HydrophobicContact CG-CZ 4.34Å; L219-F448 HydrophobicContact CD2-CE2 3.93Å; L219-F448 HydrophobicContact CD2-CZ 4.02Å; V442-F448 HydrophobicContact CG1-CB 4.11Å; E444-F448 PolarHBondContact O-N 3.34Å; F448-L451 PolarHBondContact O-N 2.98Å; F448-W452 HydrophobicContact CD1-CE3 4.28Å; F448-W452 AromaticContact CE1-CE3 3.65Å; F448-W452 HydrophobicContact CE1-CE3 3.65Å; F448-W452 AromaticContact CE1-CZ3 3.89Å; F448-W452 HydrophobicContact CE1-CZ3 3.89Å; F448-W452 HydrophobicContact CZ-CE3 4.16Å; F448-W452 HydrophobicContact CZ-CZ3 4.5Å; F448-W452 VanDerWaalsContact O-CB 3.29Å; F448-W452 WeakPolarHBondContact O-CB 3.47Å; F448-W452 PolarHBondContact O-N 3.31Å; F448-V459 HydrophobicContact CD2-CB 4.42Å; F448-V459 HydrophobicContact CD2-CG1 3.99Å; F448-V459 HydrophobicContact CD2-CG2 3.6Å; F448-V459 HydrophobicContact CE2-CG1 4.16Å; F448-V459 HydrophobicContact CE2-CG2 3.52Å; F448-F467 HydrophobicContact CB-CD1 4.2Å; F448-F467 HydrophobicContact CB-CD2 4.24Å; F448-F467 HydrophobicContact CB-CE1 3.86Å; F448-F467 HydrophobicContact CB-CE2 3.87Å; F448-F467 HydrophobicContact CB-CG 4.4Å; F448-F467 HydrophobicContact CB-CZ 3.68Å; F448-F467 HydrophobicContact CD1-CB 4.29Å; F448-F467 HydrophobicContact CD1-CD1 4.11Å; F448-F467 HydrophobicContact CD1-CD2 4.41Å; F448-F467 HydrophobicContact CD1-CG 4.03Å; F448-F467 AromaticContact CD2-CD2 3.88Å; F448-F467 HydrophobicContact CD2-CD2 3.88Å; F448-F467 HydrophobicContact CD2-CE2 4.1Å; F448-F467 HydrophobicContact CD2-CG 4.29Å; F448-F467 HydrophobicContact CE1-CB 4.14Å; F448-F467 HydrophobicContact CE1-CG 4.37Å; F448-F467 HydrophobicContact CE2-CD2 4.32Å; F448-F467 HydrophobicContact CG-CD1 4.15Å; F448-F467 AromaticContact CG-CD2 3.92Å; F448-F467 HydrophobicContact CG-CD2 3.92Å; F448-F467 HydrophobicContact CG-CE1 4.3Å; F448-F467 HydrophobicContact CG-CE2 4.04Å; F448-F467 AromaticContact CG-CG 3.98Å; F448-F467 HydrophobicContact CG-CG 3.98Å; F448-F467 HydrophobicContact CG-CZ 4.25Å; F448-F467 HydrophobicContact CZ-CB 4.32Å; F448-M470 HydrophobicContact CD1-CE 3.94Å; F448-M470 HydrophobicContact CD1-SD 3.65Å; F448-M470 HydrophobicContact CE1-CB 4.37Å; F448-M470 HydrophobicContact CE1-SD 4.17Å
449	S	97.4	Very high	97	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-60.6	-46.3	174.8	-64	0	0	0	0	111.7	R445 W446 M447 L451 W452 C453 D474	R445-S449 VanDerWaalsContact O-CB 3.31Å; R445-S449 WeakPolarHBondContact O-CB 3.37Å; R445-S449 PolarHBondContact O-N 2.89Å; R445-S449 PolarHBondContact O-OG 3.38Å; W446-S449 PolarHBondContact O-N 3.46Å; M447-S449 VanDerWaalsContact C-N 3.3Å; M447-S449 PolarHBondContact O-N 3.44Å; S449-L451 PolarHBondContact O-N 3.23Å; S449-W452 PolarHBondContact O-N 3.17Å; S449-C453 PolarHBondContact O-N 3.44Å; S449-C453 PolarHBondContact O-SG 3.44Å; S449-D474 PolarHBondContact OG-N 3.49Å
450	L	96.9	Very high	97.1	Very high	2 Å²	2	16.9 Å²	16.9	1%	0.01	8%	0.076	C	C	.	.	H	α-helix	trans	-58.3	-48	177.7	-176.4	67.7	0	0	0	112	L144 Q147 Y148 P204 W446 M447 C453 A454	L144-L450 HydrophobicContact CB-CD2 4.31Å; L144-L450 HydrophobicContact CD2-CD2 3.72Å; L144-L450 WeakPolarHBondContact O-CD2 3.22Å; Q147-L450 HydrophobicContact CB-CD1 4.26Å; Y148-L450 HydrophobicContact CD2-CB 3.94Å; Y148-L450 HydrophobicContact CD2-CD1 4.16Å; P204-L450 HydrophobicContact CB-CD1 4.16Å; P204-L450 HydrophobicContact CG-CD1 3.64Å; P204-L450 HydrophobicContact CG-CG 4.4Å; W446-L450 HydrophobicContact CZ3-CD2 4.31Å; W446-L450 WeakPolarHBondContact O-CB 3.44Å; W446-L450 PolarHBondContact O-N 2.87Å; M447-L450 WeakPolarHBondContact O-CB 3.35Å; M447-L450 PolarHBondContact O-N 3.36Å; M447-L450 HydrophobicContact SD-CD2 4.2Å; L450-C453 WeakPolarHBondContact O-CB 3.36Å; L450-C453 PolarHBondContact O-N 2.94Å; L450-A454 PolarHBondContact O-N 3.25Å
451	L	97.2	Very high	97.2	Very high	4 Å²	4	13.2 Å²	13.2	2%	0.021	6%	0.062	C	C	.	.	H	α-helix	trans	-71	-33.5	-179.5	-66.3	174.1	0	0	0	112.3	M439 V442 M447 F448 S449 A454 G455 V456 V459	M439-L451 HydrophobicContact CB-CD1 3.97Å; M439-L451 HydrophobicContact CG-CD1 4.3Å; M439-L451 HydrophobicContact CG-CD2 4.31Å; V442-L451 HydrophobicContact CG1-CD1 4.34Å; V442-L451 HydrophobicContact CG2-CD1 3.49Å; V442-L451 VanDerWaalsContact CG2-CD1 3.49Å; M447-L451 HydrophobicContact CG-CD1 4.07Å; M447-L451 HydrophobicContact CG-CG 4.47Å; M447-L451 WeakPolarHBondContact O-CG 3.44Å; M447-L451 PolarHBondContact O-N 3.38Å; M447-L451 HydrophobicContact SD-CD1 4.5Å; M447-L451 HydrophobicContact SD-CG 4.48Å; F448-L451 PolarHBondContact O-N 2.98Å; S449-L451 PolarHBondContact O-N 3.23Å; L451-A454 CarbonylContact O-C 3.57Å; L451-A454 WeakPolarHBondContact O-CA 3.31Å; L451-A454 WeakPolarHBondContact O-CB 3.28Å; L451-A454 PolarHBondContact O-N 3Å; L451-A454 VanDerWaalsContact O-N 3.14Å; L451-G455 PolarHBondContact O-N 3.45Å; L451-V456 HydrophobicContact CB-CG1 4.06Å; L451-V456 HydrophobicContact CB-CG2 3.94Å; L451-V456 HydrophobicContact CD2-CG1 4.25Å; L451-V456 WeakPolarHBondContact O-CG2 3.45Å; L451-V456 PolarHBondContact O-N 3.46Å; L451-V459 HydrophobicContact CD1-CG1 4.32Å
452	W	96.6	Very high	97.2	Very high	12 Å²	12	12.3 Å²	12.3	5%	0.045	6%	0.056	C	C	.	.	H	α-helix	trans	-59.6	-48.7	169.5	-171.9	-15	0	0	0	110.3	T215 K216 P217 F448 S449 A454 G455 M470 E471 Q472 P473	T215-W452 PolarHBondContact O-NE1 2.94Å; K216-W452 VanDerWaalsContact CA-CE2 3.49Å; K216-W452 VanDerWaalsContact CA-CZ2 3.42Å; K216-W452 HydrophobicContact CB-CH2 3.64Å; K216-W452 HydrophobicContact CB-CZ2 3.45Å; K216-W452 VanDerWaalsContact CB-CZ2 3.45Å; K216-W452 HydrophobicContact CB-CZ3 4.39Å; K216-W452 HydrophobicContact CD-CH2 3.83Å; K216-W452 HydrophobicContact CD-CZ3 4.21Å; K216-W452 HydrophobicContact CG-CE3 4.41Å; K216-W452 HydrophobicContact CG-CH2 3.54Å; K216-W452 HydrophobicContact CG-CZ2 3.85Å; K216-W452 HydrophobicContact CG-CZ3 3.86Å; P217-W452 VanDerWaalsContact CD-CG 3.49Å; P217-W452 HydrophobicContact CG-CB 3.97Å; P217-W452 HydrophobicContact CG-CG 4.06Å; F448-W452 HydrophobicContact CD1-CE3 4.28Å; F448-W452 AromaticContact CE1-CE3 3.65Å; F448-W452 HydrophobicContact CE1-CE3 3.65Å; F448-W452 AromaticContact CE1-CZ3 3.89Å; F448-W452 HydrophobicContact CE1-CZ3 3.89Å; F448-W452 HydrophobicContact CZ-CE3 4.16Å; F448-W452 HydrophobicContact CZ-CZ3 4.5Å; F448-W452 VanDerWaalsContact O-CB 3.29Å; F448-W452 WeakPolarHBondContact O-CB 3.47Å; F448-W452 PolarHBondContact O-N 3.31Å; S449-W452 PolarHBondContact O-N 3.17Å; W452-A454 PolarHBondContact O-N 3.48Å; W452-G455 PolarHBondContact O-N 3.41Å; W452-M470 HydrophobicContact CZ3-CB 4.32Å; W452-E471 VanDerWaalsContact CH2-C 3.46Å; W452-E471 WeakPolarHBondContact CH2-O 3.38Å; W452-Q472 VanDerWaalsContact CH2-CA 3.49Å; W452-P473 HydrophobicContact CB-CG 4.11Å; W452-P473 HydrophobicContact CD2-CG 3.75Å; W452-P473 HydrophobicContact CE3-CG 4.06Å; W452-P473 HydrophobicContact CG-CG 3.78Å
453	C	95.7	Very high	97.2	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-62.3	-28.5	174.7	-57.7	0	0	0	0	113.2	P204 C205 I207 R428 S449 L450 G455	P204-C453 VanDerWaalsContact C-CB 3.5Å; P204-C453 HydrophobicContact CB-CB 3.92Å; P204-C453 WeakPolarHBondContact O-CB 3.47Å; C205-C453 WeakPolarHBondContact CA-SG 3.26Å; C205-C453 HydrophobicContact CB-CB 3.93Å; C205-C453 WeakPolarHBondContact CB-SG 3.31Å; C205-C453 WeakPolarHBondContact SG-CB 3.44Å; C205-C453 CovalentContact SG-SG 2.06Å; C205-C453 PolarHBondContact SG-SG 3.32Å; I207-C453 HydrophobicContact CD1-CB 3.98Å; R428-C453 PolarHBondContact NH2-O 2.99Å; S449-C453 PolarHBondContact O-N 3.44Å; S449-C453 PolarHBondContact O-SG 3.44Å; L450-C453 WeakPolarHBondContact O-CB 3.36Å; L450-C453 PolarHBondContact O-N 2.94Å; C453-G455 VanDerWaalsContact C-N 3.3Å
454	A	95.3	Very high	97.2	Very high	3 Å²	3	12.8 Å²	12.8	3%	0.025	6%	0.059	C	C	.	.	H	α-helix	trans	-73.9	-19.6	173.6	0	0	0	0	0	113	P204 A424 I427 R428 L450 L451 W452	P204-A454 HydrophobicContact CB-CB 4.29Å; A424-A454 HydrophobicContact CB-CB 3.73Å; I427-A454 HydrophobicContact CD1-CB 4.02Å; I427-A454 WeakPolarHBondContact CG2-O 3.37Å; R428-A454 VanDerWaalsContact CG-O 3.23Å; R428-A454 WeakPolarHBondContact CG-O 3.35Å; L450-A454 PolarHBondContact O-N 3.25Å; L451-A454 CarbonylContact O-C 3.57Å; L451-A454 WeakPolarHBondContact O-CA 3.31Å; L451-A454 WeakPolarHBondContact O-CB 3.28Å; L451-A454 PolarHBondContact O-N 3Å; L451-A454 VanDerWaalsContact O-N 3.14Å; W452-A454 PolarHBondContact O-N 3.48Å
455	G	94.9	Very high	97.1	Very high	10 Å²	10	12 Å²	12	10%	0.103	6%	0.055	C	C	.	.	T	Hydrogen-bonded Turn	trans	92.1	21.2	173.8	0	0	0	0	0	115.1	R431 L451 W452 C453	R431-G455 WeakPolarHBondContact CD-O 3.31Å; R431-G455 VanDerWaalsContact CG-O 3.25Å; R431-G455 WeakPolarHBondContact CG-O 3.43Å; R431-G455 PolarHBondContact NE-O 3.28Å; L451-G455 PolarHBondContact O-N 3.45Å; W452-G455 PolarHBondContact O-N 3.41Å; C453-G455 VanDerWaalsContact C-N 3.3Å
456	V	96.4	Very high	97.1	Very high	2 Å²	2	8.6 Å²	8.6	1%	0.012	5%	0.047	C	C	.	.			trans	-55.1	154.7	175.8	-57.6	0	0	0	0	111.7	P217 I427 M439 L451 V459	P217-V456 HydrophobicContact CB-CG2 3.89Å; P217-V456 HydrophobicContact CG-CG2 3.67Å; I427-V456 HydrophobicContact CD1-CG1 3.98Å; I427-V456 HydrophobicContact CG2-CG1 3.86Å; M439-V456 HydrophobicContact CE-CG1 4.32Å; M439-V456 HydrophobicContact CG-CB 4.45Å; M439-V456 HydrophobicContact CG-CG1 3.75Å; L451-V456 HydrophobicContact CB-CG1 4.06Å; L451-V456 HydrophobicContact CB-CG2 3.94Å; L451-V456 HydrophobicContact CD2-CG1 4.25Å; L451-V456 WeakPolarHBondContact O-CG2 3.45Å; L451-V456 PolarHBondContact O-N 3.46Å; V456-V459 HydrophobicContact CG2-CG1 4.14Å
457	S	96.9	Very high	97.2	Very high	11 Å²	11	6.8 Å²	6.8	8%	0.077	4%	0.04	C	C	.	.	S	Bend	trans	-79.7	-38.7	178.2	-50	0	0	0	0	111.6	P217 D218 R431 K436 V437	P217-S457 CarbonylContact C-O 3.13Å; P217-S457 WeakPolarHBondContact CA-O 3.49Å; D218-S457 PolarHBondContact N-O 2.98Å; R431-S457 WeakPolarHBondContact CD-OG 3.34Å; R431-S457 PolarHBondContact NE-OG 2.9Å; R431-S457 PolarHBondContact NH1-OG 3.3Å; K436-S457 WeakPolarHBondContact CA-OG 3.39Å; V437-S457 PolarHBondContact N-OG 3.24Å; V437-S457 WeakPolarHBondContact O-CB 3.41Å; V437-S457 PolarHBondContact O-N 2.93Å
458	S	98.3	Very high	97.1	Very high	4 Å²	4	8.5 Å²	8.5	3%	0.028	5%	0.052	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	165.4	-173.1	54.2	0	0	0	0	111.2	D218 W220 V437 N438 M439	D218-S458 CarbonylContact O-C 3.52Å; D218-S458 WeakPolarHBondContact O-CA 3.26Å; D218-S458 VanDerWaalsContact O-CB 3.24Å; D218-S458 WeakPolarHBondContact O-CB 3.16Å; W220-S458 VanDerWaalsContact CE2-OG 3.31Å; W220-S458 WeakPolarHBondContact CZ2-OG 3.37Å; W220-S458 PolarHBondContact NE1-OG 3.03Å; V437-S458 PolarHBondContact O-N 2.94Å; N438-S458 WeakPolarHBondContact CA-O 3.35Å; N438-S458 WeakPolarHBondContact CA-OG 3.35Å; N438-S458 VanDerWaalsContact CB-OG 3.28Å; N438-S458 WeakPolarHBondContact CB-OG 3.34Å; N438-S458 VanDerWaalsContact OD1-CB 3.29Å; N438-S458 WeakPolarHBondContact OD1-CB 3.46Å; N438-S458 PolarHBondContact OD1-O 3.02Å; N438-S458 PolarHBondContact OD1-OG 3.04Å; M439-S458 PolarHBondContact N-O 3Å
459	V	98.6	Very high	97.1	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	140.4	169.5	-57.9	0	0	0	0	110.4	D218 L219 W220 N438 M439 V442 F448 L451 V456 F467	D218-V459 PolarHBondContact O-N 2.93Å; L219-V459 HydrophobicContact CD2-CG2 3.85Å; W220-V459 PolarHBondContact N-O 3.22Å; N438-V459 WeakPolarHBondContact OD1-CA 3.35Å; N438-V459 PolarHBondContact OD1-N 2.98Å; M439-V459 VanDerWaalsContact O-CA 3.32Å; M439-V459 WeakPolarHBondContact O-CA 3.3Å; V442-V459 HydrophobicContact CB-CB 4.16Å; V442-V459 HydrophobicContact CB-CG1 4.46Å; V442-V459 HydrophobicContact CG2-CB 4.1Å; V442-V459 HydrophobicContact CG2-CG1 4.12Å; F448-V459 HydrophobicContact CD2-CB 4.42Å; F448-V459 HydrophobicContact CD2-CG1 3.99Å; F448-V459 HydrophobicContact CD2-CG2 3.6Å; F448-V459 HydrophobicContact CE2-CG1 4.16Å; F448-V459 HydrophobicContact CE2-CG2 3.52Å; L451-V459 HydrophobicContact CD1-CG1 4.32Å; V456-V459 HydrophobicContact CG2-CG1 4.14Å; V459-F467 HydrophobicContact CG2-CD2 4.31Å
460	T	98.7	Very high	97	Very high	1 Å²	1	16.6 Å²	16.6	1%	0.006	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	127.9	165.5	-61.7	0	0	0	0	108.9	W220 H222 E250 N438 M439 V441 V442	W220-T460 WeakPolarHBondContact O-CA 3.34Å; H222-T460 HydrophobicContact CB-CG2 3.54Å; E250-T460 HydrophobicContact CB-CG2 4.14Å; E250-T460 HydrophobicContact CG-CG2 4.05Å; N438-T460 PolarHBondContact ND2-OG1 2.96Å; M439-T460 PolarHBondContact O-N 3.34Å; V441-T460 WeakPolarHBondContact CA-O 3.4Å; V442-T460 PolarHBondContact N-O 3.44Å
461	T	98.6	Very high	96.9	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	143.6	-169.8	-175.4	0	0	0	0	113.8	W220 H222 V442 N463 C464 F467	W220-T461 PolarHBondContact O-N 3.48Å; H222-T461 WeakPolarHBondContact CB-O 3.42Å; H222-T461 PolarHBondContact N-O 3.34Å; H222-T461 VanDerWaalsContact N-O 3.14Å; V442-T461 WeakPolarHBondContact O-CA 3.33Å; V442-T461 WeakPolarHBondContact O-CB 3.38Å; V442-T461 PolarHBondContact O-OG1 3.14Å; T461-N463 PolarHBondContact OG1-N 2.95Å; T461-C464 HydrophobicContact CG2-CB 3.91Å; T461-F467 HydrophobicContact CG2-CD2 3.94Å; T461-F467 HydrophobicContact CG2-CE2 4.36Å; T461-F467 VanDerWaalsContact OG1-CE2 3.23Å; T461-F467 WeakPolarHBondContact OG1-CE2 3.48Å
462	N	97.9	Very high	96.7	Very high	4 Å²	4	31.7 Å²	31.7	2%	0.021	16%	0.158	C	C	.	.	S	Bend	trans	-79.3	-21.5	164.9	-65.3	-37.2	0	0	0	112.5	H222 P226 M227 N443	H222-N462 PolarHBondContact ND1-OD1 2.99Å; P226-N462 HydrophobicContact CG-CB 3.8Å; P226-N462 WeakPolarHBondContact CG-OD1 3.37Å; M227-N462 WeakPolarHBondContact CB-O 3.42Å; M227-N462 HydrophobicContact CE-CB 3.82Å; M227-N462 HydrophobicContact CG-CB 4.11Å; M227-N462 VanDerWaalsContact CG-O 3.25Å; M227-N462 WeakPolarHBondContact CG-O 3.33Å; M227-N462 HydrophobicContact SD-CB 4.45Å; N443-N462 PolarHBondContact ND2-ND2 2.87Å; N443-N462 WeakPolarHBondContact OD1-CB 3.39Å; N443-N462 PolarHBondContact OD1-N 2.94Å; N443-N462 PolarHBondContact OD1-ND2 3.21Å
463	N	97.1	Very high	96.7	Very high	19 Å²	19	31.3 Å²	31.3	10%	0.102	16%	0.157	C	C	.	.			trans	-105.3	36.6	-168.1	-159.9	1.7	0	0	0	112.5	M227 N443 T461 Q465 V466 F467	M227-N463 HydrophobicContact CE-CB 3.92Å; M227-N463 HydrophobicContact SD-CB 3.6Å; M227-N463 VanDerWaalsContact SD-CB 3.6Å; N443-N463 WeakPolarHBondContact O-CB 3.3Å; N443-N463 PolarHBondContact O-ND2 2.75Å; T461-N463 PolarHBondContact OG1-N 2.95Å; N463-Q465 PolarHBondContact O-N 3.37Å; N463-Q465 VanDerWaalsContact O-N 3.09Å; N463-Q465 PolarHBondContact OD1-NE2 3.47Å; N463-V466 PolarHBondContact O-N 3.31Å; N463-V466 VanDerWaalsContact O-N 3.09Å; N463-V466 WeakPolarHBondContact OD1-CB 3.21Å; N463-V466 WeakPolarHBondContact OD1-CG2 3.4Å; N463-F467 HydrophobicContact CB-CZ 4.44Å; N463-F467 PolarHBondContact O-N 2.9Å
464	C	97.4	Very high	96.7	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-56.9	-31.3	-174.3	70.8	0	0	0	0	112.7	C244 V246 T461 V466 F467 S468	C244-C464 HydrophobicContact CB-CB 3.41Å; C244-C464 VanDerWaalsContact CB-CB 3.41Å; C244-C464 WeakPolarHBondContact CB-SG 3.34Å; C244-C464 WeakPolarHBondContact SG-CB 3.25Å; C244-C464 CovalentContact SG-SG 2.05Å; C244-C464 PolarHBondContact SG-SG 3.12Å; V246-C464 HydrophobicContact CG1-CB 4.23Å; T461-C464 HydrophobicContact CG2-CB 3.91Å; C464-V466 VanDerWaalsContact C-N 3.27Å; C464-V466 PolarHBondContact O-N 3.13Å; C464-F467 PolarHBondContact O-N 2.91Å; C464-S468 VanDerWaalsContact O-CB 3.23Å; C464-S468 WeakPolarHBondContact O-CB 3.39Å; C464-S468 PolarHBondContact O-N 3.5Å; C464-S468 PolarHBondContact O-OG 3.4Å
465	Q	95.9	Very high	96.7	Very high	26 Å²	26	36.2 Å²	36.2	12%	0.121	18%	0.18	C	C	.	.	H	α-helix	trans	-68.7	-22.7	-177.8	69.2	-78.2	-1	0	0	114.1	M227 L228 C244 N463 K469	M227-Q465 VanDerWaalsContact CB-NE2 3.28Å; L228-Q465 HydrophobicContact CD1-CB 4.03Å; L228-Q465 HydrophobicContact CD2-CB 4.21Å; L228-Q465 HydrophobicContact CD2-CG 4Å; L228-Q465 HydrophobicContact CG-CB 4.34Å; L228-Q465 HydrophobicContact CG-CG 4.39Å; C244-Q465 PolarHBondContact SG-N 2.91Å; N463-Q465 PolarHBondContact O-N 3.37Å; N463-Q465 VanDerWaalsContact O-N 3.09Å; N463-Q465 PolarHBondContact OD1-NE2 3.47Å; Q465-K469 WeakPolarHBondContact O-CD 3.35Å; Q465-K469 VanDerWaalsContact O-CE 3.26Å; Q465-K469 WeakPolarHBondContact O-CE 3.32Å
466	V	96.8	Very high	96.6	Very high	45 Å²	45	38.3 Å²	38.3	27%	0.273	19%	0.191	S	C	.	.	H	α-helix	trans	-88.7	-47.9	174	172.8	0	0	0	0	109.2	R445 N463 C464 S468 K469	R445-V466 HydrophobicContact CG-CG1 3.66Å; N463-V466 PolarHBondContact O-N 3.31Å; N463-V466 VanDerWaalsContact O-N 3.09Å; N463-V466 WeakPolarHBondContact OD1-CB 3.21Å; N463-V466 WeakPolarHBondContact OD1-CG2 3.4Å; C464-V466 VanDerWaalsContact C-N 3.27Å; C464-V466 PolarHBondContact O-N 3.13Å; V466-S468 VanDerWaalsContact C-N 3.32Å; V466-S468 PolarHBondContact O-N 3.01Å; V466-K469 PolarHBondContact O-N 3.01Å
467	F	98.1	Very high	96.5	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-68.1	-31.8	-175.9	-61.5	-10	0	0	0	112.6	K216 L219 V442 R445 F448 V459 T461 N463 C464 K469 M470	K216-F467 VanDerWaalsContact CE-O 3.3Å; K216-F467 WeakPolarHBondContact CE-O 3.35Å; K216-F467 PolarHBondContact NZ-O 3.37Å; L219-F467 HydrophobicContact CD1-CB 3.93Å; L219-F467 HydrophobicContact CD2-CB 3.78Å; L219-F467 HydrophobicContact CD2-CD2 4.26Å; V442-F467 HydrophobicContact CB-CE2 4.44Å; V442-F467 HydrophobicContact CG1-CE2 3.99Å; V442-F467 HydrophobicContact CG1-CZ 4.18Å; V442-F467 VanDerWaalsContact O-CE2 3.27Å; V442-F467 WeakPolarHBondContact O-CE2 3.37Å; R445-F467 HydrophobicContact CG-CE1 4.2Å; F448-F467 HydrophobicContact CB-CD1 4.2Å; F448-F467 HydrophobicContact CB-CD2 4.24Å; F448-F467 HydrophobicContact CB-CE1 3.86Å; F448-F467 HydrophobicContact CB-CE2 3.87Å; F448-F467 HydrophobicContact CB-CG 4.4Å; F448-F467 HydrophobicContact CB-CZ 3.68Å; F448-F467 HydrophobicContact CD1-CB 4.29Å; F448-F467 HydrophobicContact CD1-CD1 4.11Å; F448-F467 HydrophobicContact CD1-CD2 4.41Å; F448-F467 HydrophobicContact CD1-CG 4.03Å; F448-F467 AromaticContact CD2-CD2 3.88Å; F448-F467 HydrophobicContact CD2-CD2 3.88Å; F448-F467 HydrophobicContact CD2-CE2 4.1Å; F448-F467 HydrophobicContact CD2-CG 4.29Å; F448-F467 HydrophobicContact CE1-CB 4.14Å; F448-F467 HydrophobicContact CE1-CG 4.37Å; F448-F467 HydrophobicContact CE2-CD2 4.32Å; F448-F467 HydrophobicContact CG-CD1 4.15Å; F448-F467 AromaticContact CG-CD2 3.92Å; F448-F467 HydrophobicContact CG-CD2 3.92Å; F448-F467 HydrophobicContact CG-CE1 4.3Å; F448-F467 HydrophobicContact CG-CE2 4.04Å; F448-F467 AromaticContact CG-CG 3.98Å; F448-F467 HydrophobicContact CG-CG 3.98Å; F448-F467 HydrophobicContact CG-CZ 4.25Å; F448-F467 HydrophobicContact CZ-CB 4.32Å; V459-F467 HydrophobicContact CG2-CD2 4.31Å; T461-F467 HydrophobicContact CG2-CD2 3.94Å; T461-F467 HydrophobicContact CG2-CE2 4.36Å; T461-F467 VanDerWaalsContact OG1-CE2 3.23Å; T461-F467 WeakPolarHBondContact OG1-CE2 3.48Å; N463-F467 HydrophobicContact CB-CZ 4.44Å; N463-F467 PolarHBondContact O-N 2.9Å; C464-F467 PolarHBondContact O-N 2.91Å; F467-K469 PolarHBondContact O-N 3Å; F467-M470 HydrophobicContact CD1-SD 3.93Å; F467-M470 PolarHBondContact O-N 2.82Å; F467-M470 VanDerWaalsContact O-N 3.09Å
468	S	97.1	Very high	96.3	Very high	35 Å²	35	40.2 Å²	40.2	25%	0.245	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-32.3	176.6	67	0	0	0	0	112	K216 C244 C464 V466	K216-S468 PolarHBondContact NZ-O 3.29Å; C244-S468 WeakPolarHBondContact O-CB 3.42Å; C464-S468 VanDerWaalsContact O-CB 3.23Å; C464-S468 WeakPolarHBondContact O-CB 3.39Å; C464-S468 PolarHBondContact O-N 3.5Å; C464-S468 PolarHBondContact O-OG 3.4Å; V466-S468 VanDerWaalsContact C-N 3.32Å; V466-S468 PolarHBondContact O-N 3.01Å
469	K	97	Very high	96.1	Very high	161 Å²	161	43.3 Å²	43.3	70%	0.7	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87	-8.5	-179.5	-59.2	172.8	-172.4	165.5	0	114.2	Q465 V466 F467 E471	Q465-K469 WeakPolarHBondContact O-CD 3.35Å; Q465-K469 VanDerWaalsContact O-CE 3.26Å; Q465-K469 WeakPolarHBondContact O-CE 3.32Å; V466-K469 PolarHBondContact O-N 3.01Å; F467-K469 PolarHBondContact O-N 3Å; K469-E471 PolarHBondContact O-N 3.34Å
470	M	96.4	Very high	95.8	Very high	10 Å²	10	46.2 Å²	46.2	5%	0.049	24%	0.243	C	C	.	.			trans	-76.5	122.8	177.3	-67.6	-178.6	65.1	0	0	110.5	K216 R445 F448 W452 F467	K216-M470 VanDerWaalsContact CE-O 3.32Å; K216-M470 WeakPolarHBondContact CE-O 3.47Å; K216-M470 PolarHBondContact NZ-O 3.22Å; R445-M470 HydrophobicContact CB-SD 4.35Å; R445-M470 HydrophobicContact CG-SD 4.01Å; F448-M470 HydrophobicContact CD1-CE 3.94Å; F448-M470 HydrophobicContact CD1-SD 3.65Å; F448-M470 HydrophobicContact CE1-CB 4.37Å; F448-M470 HydrophobicContact CE1-SD 4.17Å; W452-M470 HydrophobicContact CZ3-CB 4.32Å; F467-M470 HydrophobicContact CD1-SD 3.93Å; F467-M470 PolarHBondContact O-N 2.82Å; F467-M470 VanDerWaalsContact O-N 3.09Å
471	E	93.5	Very high	95.6	Very high	185 Å²	185	49.6 Å²	49.6	86%	0.864	26%	0.264	S	S	*	.	S	Bend	trans	-94	-19.2	177.7	-64.2	-177.5	172.1	0	0	112.8	W452 K469	W452-E471 VanDerWaalsContact CH2-C 3.46Å; W452-E471 WeakPolarHBondContact CH2-O 3.38Å; K469-E471 PolarHBondContact O-N 3.34Å
472	Q	93.8	Very high	95.5	Very high	137 Å²	137	50.2 Å²	50.2	64%	0.64	27%	0.266	S	S	*	.	S	Bend	trans	-154.4	164.2	178.3	58.8	-177.1	-0.8	0	0	109.8	W452	W452-Q472 VanDerWaalsContact CH2-CA 3.49Å
473	P	95.6	Very high	95.4	Very high	4 Å²	4	56.9 Å²	56.9	3%	0.026	29%	0.291	C	S	.	.			trans	-55	148.8	166.2	-25.3	37.1	0	0	0	111	I209 W452 W475 T476	I209-P473 HydrophobicContact CD1-CG 3.82Å; W452-P473 HydrophobicContact CB-CG 4.11Å; W452-P473 HydrophobicContact CD2-CG 3.75Å; W452-P473 HydrophobicContact CE3-CG 4.06Å; W452-P473 HydrophobicContact CG-CG 3.78Å; P473-W475 PolarHBondContact O-N 2.89Å; P473-W475 VanDerWaalsContact O-N 3.13Å; P473-T476 HydrophobicContact CB-CG2 4.21Å; P473-T476 HydrophobicContact CG-CG2 4.34Å
474	D	95.6	Very high	95.4	Very high	72 Å²	72	59.9 Å²	59.9	39%	0.385	31%	0.31	S	S	.	.	S	Bend	trans	-59.2	-31.2	-176.3	-65.8	-36.5	0	0	0	112.2	Y148 R445 S449	Y148-D474 WeakPolarHBondContact OH-CB 3.44Å; R445-D474 WeakPolarHBondContact CB-OD2 3.36Å; R445-D474 IonicContact CZ-OD1 3.5Å; R445-D474 VanDerWaalsContact CZ-OD1 3.31Å; R445-D474 IonicContact NE-OD1 3.82Å; R445-D474 PolarHBondContact NE-OD1 3.16Å; R445-D474 VanDerWaalsContact NE-OD1 3.16Å; R445-D474 IonicContact NE-OD2 3.28Å; R445-D474 IonicContact NH2-OD1 2.76Å; R445-D474 PolarHBondContact NH2-OD1 2.9Å; S449-D474 PolarHBondContact OG-N 3.49Å
475	W	95.2	Very high	95.3	Very high	34 Å²	34	63.4 Å²	63.4	13%	0.129	33%	0.328	C	S	.	.			trans	-150.1	149.8	167.7	71	-84.2	0	0	0	111.3	Y148 P151 F152 C205 L206 P473 M477	Y148-W475 AromaticContact CD1-NE1 3.77Å; Y148-W475 HydrophobicContact CD2-CZ2 4.15Å; Y148-W475 AromaticContact CD2-NE1 3.67Å; Y148-W475 AromaticContact CE1-CD1 3.85Å; Y148-W475 AromaticContact CE1-NE1 3.29Å; Y148-W475 VanDerWaalsContact CE1-NE1 3.29Å; Y148-W475 AromaticContact CE2-CD1 3.83Å; Y148-W475 AromaticContact CE2-CE2 3.93Å; Y148-W475 HydrophobicContact CE2-CZ2 4.36Å; Y148-W475 AromaticContact CE2-NE1 3.17Å; Y148-W475 HydrophobicContact CG-CZ2 4.47Å; Y148-W475 AromaticContact CG-NE1 3.97Å; Y148-W475 AromaticContact CZ-CD1 3.38Å; Y148-W475 AromaticContact CZ-NE1 3.01Å; Y148-W475 WeakPolarHBondContact O-CZ2 3.31Å; Y148-W475 VanDerWaalsContact OH-CD1 3.24Å; Y148-W475 PolarHBondContact OH-NE1 3.03Å; P151-W475 HydrophobicContact CG-CH2 4.04Å; F152-W475 AromaticContact CE2-CD1 3.93Å; F152-W475 AromaticContact CE2-CD2 3.69Å; F152-W475 HydrophobicContact CE2-CD2 3.69Å; F152-W475 AromaticContact CE2-CE2 3.46Å; F152-W475 VanDerWaalsContact CE2-CE2 3.46Å; F152-W475 HydrophobicContact CE2-CE3 4.26Å; F152-W475 HydrophobicContact CE2-CG 4.04Å; F152-W475 HydrophobicContact CE2-CH2 4.44Å; F152-W475 AromaticContact CE2-CZ2 3.9Å; F152-W475 HydrophobicContact CE2-CZ2 3.9Å; F152-W475 AromaticContact CE2-NE1 3.56Å; F152-W475 HydrophobicContact CZ-CB 4.47Å; F152-W475 AromaticContact CZ-CD2 3.59Å; F152-W475 HydrophobicContact CZ-CD2 3.59Å; F152-W475 AromaticContact CZ-CE2 3.9Å; F152-W475 AromaticContact CZ-CE3 3.96Å; F152-W475 HydrophobicContact CZ-CE3 3.96Å; F152-W475 AromaticContact CZ-CG 3.78Å; F152-W475 HydrophobicContact CZ-CG 3.78Å; C205-W475 HydrophobicContact CB-CE3 4.36Å; C205-W475 HydrophobicContact CB-CH2 3.64Å; C205-W475 HydrophobicContact CB-CZ2 3.78Å; C205-W475 HydrophobicContact CB-CZ3 3.95Å; L206-W475 HydrophobicContact CD2-CZ3 4.31Å; P473-W475 PolarHBondContact O-N 2.89Å; P473-W475 VanDerWaalsContact O-N 3.13Å; W475-M477 HydrophobicContact CE3-CB 4.35Å; W475-M477 HydrophobicContact CZ3-CB 4.2Å
476	T	94.3	Very high	95.4	Very high	54 Å²	54	64.1 Å²	64.1	33%	0.331	33%	0.33	S	S	.	.			trans	-140.1	159.1	159.9	51.1	0	0	0	0	109	C205 I207 I209 P473	C205-T476 HydrophobicContact CB-CG2 4.23Å; C205-T476 WeakPolarHBondContact O-CA 3.44Å; I207-T476 HydrophobicContact CG1-CG2 4.31Å; I209-T476 HydrophobicContact CD1-CG2 3.39Å; I209-T476 HydrophobicContact CG1-CG2 3.86Å; P473-T476 HydrophobicContact CB-CG2 4.21Å; P473-T476 HydrophobicContact CG-CG2 4.34Å
477	M	93.5	Very high	95.4	Very high	31 Å²	31	66.8 Å²	66.8	15%	0.153	34%	0.342	C	S	.	.			trans	-146.6	123.5	177.9	-171	-179.8	-59.8	0	0	110.2	C205 L206 I207 W475 V481 Y482 L485	C205-M477 PolarHBondContact O-N 3.43Å; L206-M477 CarbonylContact C-O 3.57Å; L206-M477 VanDerWaalsContact C-O 3.29Å; L206-M477 WeakPolarHBondContact CA-O 3.5Å; L206-M477 HydrophobicContact CD2-CB 4.03Å; I207-M477 PolarHBondContact N-O 3.12Å; I207-M477 CarbonylContact O-C 3.51Å; W475-M477 HydrophobicContact CE3-CB 4.35Å; W475-M477 HydrophobicContact CZ3-CB 4.2Å; M477-V481 HydrophobicContact CG-CB 4.11Å; M477-V481 HydrophobicContact CG-CG1 3.99Å; M477-V481 HydrophobicContact SD-CG1 4.37Å; M477-Y482 WeakPolarHBondContact SD-CA 3.33Å; M477-Y482 VanDerWaalsContact SD-CB 3.53Å; M477-Y482 HydrophobicContact SD-CD2 3.8Å; M477-Y482 HydrophobicContact SD-CG 4.15Å; M477-L485 HydrophobicContact CE-CD1 4.04Å; M477-L485 HydrophobicContact SD-CD1 3.87Å
478	A	93.6	Very high	95.4	Very high	22 Å²	22	70 Å²	70	18%	0.182	36%	0.364	C	S	.	.			trans	-56.6	137.3	175	0	0	0	0	0	110	S480 V481 Y482	A478-S480 PolarHBondContact O-N 3Å; A478-S480 VanDerWaalsContact O-N 3.08Å; A478-V481 HydrophobicContact CB-CB 4.41Å; A478-V481 HydrophobicContact CB-CG2 4.07Å; A478-V481 WeakPolarHBondContact O-CB 3.2Å; A478-V481 PolarHBondContact O-N 3.32Å; A478-Y482 PolarHBondContact O-N 2.84Å
479	P	93.2	Very high	95.4	Very high	69 Å²	69	70.8 Å²	70.8	45%	0.448	37%	0.368	S	S	.	.	H	α-helix	trans	-53	-34.9	-179.4	-30.3	35.1	0	0	0	114	L206 R483	L206-P479 VanDerWaalsContact O-CG 3.3Å; L206-P479 WeakPolarHBondContact O-CG 3.26Å; P479-R483 WeakPolarHBondContact O-CB 3.21Å; P479-R483 PolarHBondContact O-N 3.44Å
480	S	93.5	Very high	95.4	Very high	61 Å²	61	63.9 Å²	63.9	43%	0.427	34%	0.338	S	S	.	.	H	α-helix	trans	-65.6	-41.2	176.6	56.1	0	0	0	0	112.8	A478 T484	A478-S480 PolarHBondContact O-N 3Å; A478-S480 VanDerWaalsContact O-N 3.08Å; S480-T484 WeakPolarHBondContact O-CB 3.4Å; S480-T484 PolarHBondContact O-N 3.4Å; S480-T484 VanDerWaalsContact O-N 3.1Å; S480-T484 PolarHBondContact O-OG1 3.02Å
481	V	94.6	Very high	95.5	Very high	73 Å²	73	65.8 Å²	65.8	44%	0.442	36%	0.355	S	S	.	.	H	α-helix	trans	-67.6	-47.5	177	175.7	0	0	0	0	109.9	M477 A478 R483 T484 L485	M477-V481 HydrophobicContact CG-CB 4.11Å; M477-V481 HydrophobicContact CG-CG1 3.99Å; M477-V481 HydrophobicContact SD-CG1 4.37Å; A478-V481 HydrophobicContact CB-CB 4.41Å; A478-V481 HydrophobicContact CB-CG2 4.07Å; A478-V481 WeakPolarHBondContact O-CB 3.2Å; A478-V481 PolarHBondContact O-N 3.32Å; V481-R483 PolarHBondContact O-N 3.01Å; V481-T484 PolarHBondContact O-N 3.03Å; V481-T484 VanDerWaalsContact O-N 3.14Å; V481-L485 HydrophobicContact CG1-CD1 4.08Å; V481-L485 HydrophobicContact CG1-CG 4.46Å; V481-L485 WeakPolarHBondContact O-CG 3.31Å; V481-L485 PolarHBondContact O-N 3.47Å
482	Y	95.6	Very high	95.7	Very high	13 Å²	13	59 Å²	59	5%	0.051	33%	0.332	C	S	.	.	H	α-helix	trans	-56.8	-48.8	177.3	177.4	-118.6	0	0	0	111.9	P151 F155 P198 I201 L206 M477 A478 T484 L485 W486	P151-Y482 HydrophobicContact CB-CD2 4.36Å; P151-Y482 HydrophobicContact CB-CE2 3.72Å; P151-Y482 HydrophobicContact CG-CE2 4.45Å; F155-Y482 HydrophobicContact CE2-CE2 4.31Å; F155-Y482 HydrophobicContact CZ-CD2 4.05Å; F155-Y482 AromaticContact CZ-CE2 3.83Å; F155-Y482 HydrophobicContact CZ-CE2 3.83Å; P198-Y482 HydrophobicContact CB-CE1 4.21Å; I201-Y482 WeakPolarHBondContact CD1-OH 3.32Å; L206-Y482 HydrophobicContact CD1-CD1 3.77Å; L206-Y482 HydrophobicContact CD1-CE1 3.93Å; L206-Y482 HydrophobicContact CD1-CG 4.31Å; L206-Y482 HydrophobicContact CD2-CD1 3.96Å; L206-Y482 HydrophobicContact CD2-CD2 4.12Å; L206-Y482 HydrophobicContact CD2-CG 3.64Å; M477-Y482 WeakPolarHBondContact SD-CA 3.33Å; M477-Y482 VanDerWaalsContact SD-CB 3.53Å; M477-Y482 HydrophobicContact SD-CD2 3.8Å; M477-Y482 HydrophobicContact SD-CG 4.15Å; A478-Y482 PolarHBondContact O-N 2.84Å; Y482-T484 VanDerWaalsContact C-N 3.29Å; Y482-T484 PolarHBondContact O-N 3.04Å; Y482-L485 PolarHBondContact O-N 3.17Å; Y482-W486 WeakPolarHBondContact O-CB 3.4Å; Y482-W486 PolarHBondContact O-N 3.24Å
483	R	95.8	Very high	95.9	Very high	143 Å²	143	52.7 Å²	52.7	54%	0.54	30%	0.302	S	S	.	.	H	α-helix	trans	-59.1	-40	177.1	-176.2	175.6	63.7	-136.3	-0.4	112.3	P479 V481 I487	P479-R483 WeakPolarHBondContact O-CB 3.21Å; P479-R483 PolarHBondContact O-N 3.44Å; V481-R483 PolarHBondContact O-N 3.01Å; R483-I487 HydrophobicContact CG-CD1 3.94Å; R483-I487 WeakPolarHBondContact O-CD1 3.23Å; R483-I487 VanDerWaalsContact O-CG1 3.28Å; R483-I487 WeakPolarHBondContact O-CG1 3.4Å; R483-I487 PolarHBondContact O-N 3.4Å; R483-I487 VanDerWaalsContact O-N 3.09Å
484	T	96.6	Very high	96	Very high	83 Å²	83	56 Å²	56	51%	0.509	32%	0.319	S	S	.	.	H	α-helix	trans	-67.6	-44.4	179.2	-56.3	0	0	0	0	111.5	S480 V481 Y482 S488	S480-T484 WeakPolarHBondContact O-CB 3.4Å; S480-T484 PolarHBondContact O-N 3.4Å; S480-T484 VanDerWaalsContact O-N 3.1Å; S480-T484 PolarHBondContact O-OG1 3.02Å; V481-T484 PolarHBondContact O-N 3.03Å; V481-T484 VanDerWaalsContact O-N 3.14Å; Y482-T484 VanDerWaalsContact C-N 3.29Å; Y482-T484 PolarHBondContact O-N 3.04Å; T484-S488 VanDerWaalsContact O-CB 3.3Å; T484-S488 WeakPolarHBondContact O-CB 3.38Å; T484-S488 PolarHBondContact O-N 2.94Å; T484-S488 PolarHBondContact O-OG 3.22Å
485	L	96.5	Very high	96.1	Very high	73 Å²	73	58.2 Å²	58.2	38%	0.382	33%	0.33	S	S	.	.	H	α-helix	trans	-62.2	-48	176.2	-73.9	173.9	0	0	0	111.3	F155 M477 V481 Y482 I487 S488 V489	F155-L485 HydrophobicContact CZ-CB 4.03Å; M477-L485 HydrophobicContact CE-CD1 4.04Å; M477-L485 HydrophobicContact SD-CD1 3.87Å; V481-L485 HydrophobicContact CG1-CD1 4.08Å; V481-L485 HydrophobicContact CG1-CG 4.46Å; V481-L485 WeakPolarHBondContact O-CG 3.31Å; V481-L485 PolarHBondContact O-N 3.47Å; Y482-L485 PolarHBondContact O-N 3.17Å; L485-I487 PolarHBondContact O-N 2.88Å; L485-S488 PolarHBondContact O-N 3.35Å; L485-V489 WeakPolarHBondContact O-CB 3.44Å; L485-V489 VanDerWaalsContact O-CG2 3.28Å; L485-V489 WeakPolarHBondContact O-CG2 3.48Å; L485-V489 PolarHBondContact O-N 2.97Å
486	W	96.9	Very high	96.2	Very high	41 Å²	41	60.9 Å²	60.9	16%	0.155	35%	0.346	C	S	.	.	H	α-helix	trans	-52.8	-56.7	176.1	167.9	29.7	0	0	0	112	F155 Y195 P198 L199 Y482 S488 V489 D490	F155-W486 HydrophobicContact CE1-CB 4.49Å; Y195-W486 VanDerWaalsContact O-CE2 3.32Å; Y195-W486 WeakPolarHBondContact O-CZ2 3.12Å; Y195-W486 PolarHBondContact O-NE1 3.21Å; P198-W486 HydrophobicContact CB-CD2 3.51Å; P198-W486 HydrophobicContact CB-CE3 3.65Å; P198-W486 HydrophobicContact CB-CG 4.08Å; P198-W486 HydrophobicContact CB-CH2 3.98Å; P198-W486 HydrophobicContact CB-CZ2 3.85Å; P198-W486 HydrophobicContact CB-CZ3 3.88Å; P198-W486 HydrophobicContact CG-CD2 3.65Å; P198-W486 VanDerWaalsContact CG-CE2 3.48Å; P198-W486 HydrophobicContact CG-CE3 4.32Å; P198-W486 HydrophobicContact CG-CG 3.8Å; P198-W486 HydrophobicContact CG-CZ2 4.03Å; L199-W486 HydrophobicContact CD2-CH2 3.74Å; L199-W486 HydrophobicContact CD2-CZ3 4.25Å; L199-W486 HydrophobicContact CG-CH2 3.9Å; Y482-W486 WeakPolarHBondContact O-CB 3.4Å; Y482-W486 PolarHBondContact O-N 3.24Å; W486-S488 VanDerWaalsContact C-N 3.26Å; W486-S488 PolarHBondContact O-N 3.44Å; W486-V489 PolarHBondContact O-N 2.93Å; W486-D490 VanDerWaalsContact CD1-OD2 3.25Å; W486-D490 PolarHBondContact NE1-OD2 2.82Å; W486-D490 WeakPolarHBondContact O-CB 3.49Å; W486-D490 PolarHBondContact O-N 3.38Å
487	I	97.4	Very high	96.3	Very high	102 Å²	102	59 Å²	59	52%	0.523	33%	0.334	S	S	.	.	H	α-helix	trans	-59.3	-41	-179.3	-66.6	166.8	0	0	0	111	R483 L485 A491	R483-I487 HydrophobicContact CG-CD1 3.94Å; R483-I487 WeakPolarHBondContact O-CD1 3.23Å; R483-I487 VanDerWaalsContact O-CG1 3.28Å; R483-I487 WeakPolarHBondContact O-CG1 3.4Å; R483-I487 PolarHBondContact O-N 3.4Å; R483-I487 VanDerWaalsContact O-N 3.09Å; L485-I487 PolarHBondContact O-N 2.88Å; I487-A491 VanDerWaalsContact O-CB 3.25Å; I487-A491 WeakPolarHBondContact O-CB 3.23Å; I487-A491 PolarHBondContact O-N 3.35Å
488	S	97.7	Very high	96.4	Very high	67 Å²	67	62 Å²	62	47%	0.469	35%	0.349	S	S	.	.	H	α-helix	trans	-68.7	-43.3	-177.4	-57.5	0	0	0	0	112.4	T484 L485 W486 A492	T484-S488 VanDerWaalsContact O-CB 3.3Å; T484-S488 WeakPolarHBondContact O-CB 3.38Å; T484-S488 PolarHBondContact O-N 2.94Å; T484-S488 PolarHBondContact O-OG 3.22Å; L485-S488 PolarHBondContact O-N 3.35Å; W486-S488 VanDerWaalsContact C-N 3.26Å; W486-S488 PolarHBondContact O-N 3.44Å; S488-A492 WeakPolarHBondContact O-CB 3.26Å; S488-A492 PolarHBondContact O-N 3.43Å
489	V	97.5	Very high	96.5	Very high	52 Å²	52	63.8 Å²	63.8	32%	0.315	36%	0.364	S	S	.	.	H	α-helix	trans	-66	-43.6	178.8	168.4	0	0	0	0	110.7	F155 V158 L485 W486 A492 S493	F155-V489 HydrophobicContact CD1-CB 4.4Å; F155-V489 HydrophobicContact CD1-CG1 4.2Å; F155-V489 HydrophobicContact CD1-CG2 4.33Å; F155-V489 HydrophobicContact CE1-CG2 4.43Å; V158-V489 HydrophobicContact CB-CG1 4.26Å; V158-V489 HydrophobicContact CG1-CG1 3.79Å; L485-V489 WeakPolarHBondContact O-CB 3.44Å; L485-V489 VanDerWaalsContact O-CG2 3.28Å; L485-V489 WeakPolarHBondContact O-CG2 3.48Å; L485-V489 PolarHBondContact O-N 2.97Å; W486-V489 PolarHBondContact O-N 2.93Å; V489-A492 PolarHBondContact O-N 2.92Å; V489-S493 WeakPolarHBondContact O-CB 3.28Å; V489-S493 PolarHBondContact O-N 2.95Å
490	D	97.4	Very high	96.5	Very high	15 Å²	15	62.3 Å²	62.3	8%	0.08	35%	0.354	C	S	.	.	H	α-helix	trans	-64.8	-45	177.7	-75.3	13.2	0	0	0	111.1	Q154 V158 Y195 W486 A492 S493 I494	Q154-D490 PolarHBondContact NE2-OD1 2.56Å; V158-D490 WeakPolarHBondContact CG2-OD1 3.36Å; Y195-D490 WeakPolarHBondContact CA-OD2 3.34Å; Y195-D490 WeakPolarHBondContact CB-OD2 3.43Å; Y195-D490 HydrophobicContact CD1-CB 3.99Å; Y195-D490 WeakPolarHBondContact CD1-OD1 3.35Å; Y195-D490 WeakPolarHBondContact CD1-OD2 3.33Å; Y195-D490 HydrophobicContact CE1-CB 4.27Å; W486-D490 VanDerWaalsContact CD1-OD2 3.25Å; W486-D490 PolarHBondContact NE1-OD2 2.82Å; W486-D490 WeakPolarHBondContact O-CB 3.49Å; W486-D490 PolarHBondContact O-N 3.38Å; D490-A492 PolarHBondContact O-N 3.24Å; D490-S493 WeakPolarHBondContact O-CB 3.46Å; D490-S493 PolarHBondContact O-N 3.46Å; D490-I494 VanDerWaalsContact O-CG1 3.31Å; D490-I494 WeakPolarHBondContact O-CG1 3.42Å; D490-I494 PolarHBondContact O-N 2.93Å
491	A	97.9	Very high	96.5	Very high	50 Å²	50	62 Å²	62	41%	0.413	35%	0.345	S	S	.	.	H	α-helix	trans	-60.3	-45.4	176.1	0	0	0	0	0	111.9	I487 I494 L495	I487-A491 VanDerWaalsContact O-CB 3.25Å; I487-A491 WeakPolarHBondContact O-CB 3.23Å; I487-A491 PolarHBondContact O-N 3.35Å; A491-I494 PolarHBondContact O-N 2.64Å; A491-L495 VanDerWaalsContact O-CG 3.31Å; A491-L495 WeakPolarHBondContact O-CG 3.37Å; A491-L495 PolarHBondContact O-N 3.29Å
492	A	98.1	Very high	96.4	Very high	44 Å²	44	61.6 Å²	61.6	36%	0.364	34%	0.342	S	S	.	.	H	α-helix	trans	-62.3	-44.5	176.9	0	0	0	0	0	111.9	S488 V489 D490 I494 L495 I496	S488-A492 WeakPolarHBondContact O-CB 3.26Å; S488-A492 PolarHBondContact O-N 3.43Å; V489-A492 PolarHBondContact O-N 2.92Å; D490-A492 PolarHBondContact O-N 3.24Å; A492-I494 PolarHBondContact O-N 2.96Å; A492-L495 PolarHBondContact O-N 3.44Å; A492-I496 VanDerWaalsContact O-CG1 3.26Å; A492-I496 WeakPolarHBondContact O-CG1 3.47Å; A492-I496 PolarHBondContact O-N 3.2Å
493	S	98.1	Very high	96.1	Very high	4 Å²	4	67.8 Å²	67.8	3%	0.028	37%	0.367	C	S	.	.	H	α-helix	trans	-55.8	-50	175.7	175	0	0	0	0	111.5	V158 T162 Y195 V489 D490 L495 I496 M497	V158-S493 VanDerWaalsContact CG1-CB 3.49Å; T162-S493 WeakPolarHBondContact OG1-CB 3.35Å; T162-S493 PolarHBondContact OG1-OG 3.44Å; Y195-S493 PolarHBondContact OH-OG 2.89Å; V489-S493 WeakPolarHBondContact O-CB 3.28Å; V489-S493 PolarHBondContact O-N 2.95Å; D490-S493 WeakPolarHBondContact O-CB 3.46Å; D490-S493 PolarHBondContact O-N 3.46Å; S493-L495 PolarHBondContact O-N 3.24Å; S493-I496 PolarHBondContact O-N 3.25Å; S493-M497 VanDerWaalsContact O-CG 3.31Å; S493-M497 WeakPolarHBondContact O-CG 3.42Å; S493-M497 PolarHBondContact O-N 2.95Å
494	I	97.4	Very high	95.8	Very high	72 Å²	72	61.4 Å²	61.4	37%	0.369	34%	0.343	S	S	.	.	H	α-helix	trans	-60.4	-46.4	178.6	-68.5	166.1	0	0	0	111	Y195 D490 A491 A492 I496 M497 I498	Y195-I494 HydrophobicContact CD2-CD1 4.48Å; Y195-I494 HydrophobicContact CE2-CD1 4.07Å; Y195-I494 HydrophobicContact CE2-CG1 3.81Å; D490-I494 VanDerWaalsContact O-CG1 3.31Å; D490-I494 WeakPolarHBondContact O-CG1 3.42Å; D490-I494 PolarHBondContact O-N 2.93Å; A491-I494 PolarHBondContact O-N 2.64Å; A492-I494 PolarHBondContact O-N 2.96Å; I494-I496 PolarHBondContact O-N 3.02Å; I494-M497 PolarHBondContact O-N 3.09Å; I494-M497 HydrophobicContact CG1-CE 4.5Å; I494-I498 HydrophobicContact CG2-CD1 3.74Å; I494-I498 HydrophobicContact CG2-CG1 4.38Å; I494-I498 VanDerWaalsContact O-CG1 3.29Å; I494-I498 WeakPolarHBondContact O-CG1 3.28Å; I494-I498 PolarHBondContact O-N 3.44Å
495	L	97.8	Very high	95.2	Very high	120 Å²	120	63.1 Å²	63.1	63%	0.628	34%	0.34	S	S	*	.	H	α-helix	trans	-60.9	-43.8	179	-72	173.6	0	0	0	112.2	A491 A492 S493 I498 A499	A491-L495 VanDerWaalsContact O-CG 3.31Å; A491-L495 WeakPolarHBondContact O-CG 3.37Å; A491-L495 PolarHBondContact O-N 3.29Å; A492-L495 PolarHBondContact O-N 3.44Å; S493-L495 PolarHBondContact O-N 3.24Å; L495-I498 PolarHBondContact O-N 3.37Å; L495-A499 WeakPolarHBondContact O-CB 3.37Å; L495-A499 PolarHBondContact O-N 3.37Å
496	I	97.3	Very high	94.6	Very high	89 Å²	89	66.7 Å²	66.7	46%	0.456	35%	0.352	S	S	.	.	H	α-helix	trans	-61.5	-47.5	176.4	-69	165.3	0	0	0	110.1	T162 A492 S493 I494 I498 A499 V500	T162-I496 HydrophobicContact CG2-CB 4.04Å; T162-I496 HydrophobicContact CG2-CD1 4.41Å; T162-I496 HydrophobicContact CG2-CG2 3.68Å; A492-I496 VanDerWaalsContact O-CG1 3.26Å; A492-I496 WeakPolarHBondContact O-CG1 3.47Å; A492-I496 PolarHBondContact O-N 3.2Å; S493-I496 PolarHBondContact O-N 3.25Å; I494-I496 PolarHBondContact O-N 3.02Å; I496-I498 PolarHBondContact O-N 3.43Å; I496-A499 WeakPolarHBondContact O-CB 3.33Å; I496-A499 PolarHBondContact O-N 3.22Å; I496-V500 HydrophobicContact CG2-CG2 4.32Å; I496-V500 PolarHBondContact O-N 3.44Å; I496-V500 WeakPolarHBondContact O-CG2 3.2Å; I496-V500 VanDerWaalsContact O-CG2 3.3Å
497	M	96.6	Very high	93.7	Very high	14 Å²	14	67.1 Å²	67.1	7%	0.069	36%	0.36	C	S	.	.	H	α-helix	trans	-62.6	-40.9	179.4	-71.1	-165.2	-60	0	0	112.4	L161 T162 S165 F169 F187 Y195 S493 I494 V500 F501	L161-M497 HydrophobicContact CG-SD 4.49Å; T162-M497 HydrophobicContact CG2-CG 4.28Å; S165-M497 VanDerWaalsContact CB-SD 3.54Å; F169-M497 HydrophobicContact CE2-CB 4.09Å; F169-M497 VanDerWaalsContact CE2-O 3.26Å; F169-M497 WeakPolarHBondContact CE2-O 3.31Å; F169-M497 HydrophobicContact CZ-CB 4.04Å; F187-M497 HydrophobicContact CE1-SD 4.25Å; F187-M497 HydrophobicContact CZ-SD 3.73Å; Y195-M497 HydrophobicContact CE2-CE 4.44Å; Y195-M497 WeakPolarHBondContact OH-CE 3.43Å; S493-M497 VanDerWaalsContact O-CG 3.31Å; S493-M497 WeakPolarHBondContact O-CG 3.42Å; S493-M497 PolarHBondContact O-N 2.95Å; I494-M497 PolarHBondContact O-N 3.09Å; I494-M497 HydrophobicContact CG1-CE 4.5Å; M497-V500 PolarHBondContact O-N 3.38Å; M497-F501 WeakPolarHBondContact O-CB 3.43Å; M497-F501 PolarHBondContact O-N 3.47Å
498	I	95.4	Very high	92.4	Very high	95 Å²	95	67.7 Å²	67.7	49%	0.487	36%	0.358	S	S	.	.	H	α-helix	trans	-60.5	-47	173.7	-69.7	167.7	0	0	0	110.3	I494 L495 I496 V500 F501 V502	I494-I498 HydrophobicContact CG2-CD1 3.74Å; I494-I498 HydrophobicContact CG2-CG1 4.38Å; I494-I498 VanDerWaalsContact O-CG1 3.29Å; I494-I498 WeakPolarHBondContact O-CG1 3.28Å; I494-I498 PolarHBondContact O-N 3.44Å; L495-I498 PolarHBondContact O-N 3.37Å; I496-I498 PolarHBondContact O-N 3.43Å; I498-V500 VanDerWaalsContact C-N 3.35Å; I498-V500 PolarHBondContact O-N 2.92Å; I498-F501 PolarHBondContact O-N 3.48Å; I498-V502 HydrophobicContact CG2-CG2 4.31Å; I498-V502 PolarHBondContact O-N 3.05Å; I498-V502 WeakPolarHBondContact O-CG2 3.32Å; I498-V502 WeakPolarHBondContact O-CB 3.4Å; I498-V502 VanDerWaalsContact O-CG2 3.31Å
499	A	95	Very high	90.8	Very high	60 Å²	60	72.1 Å²	72.1	50%	0.496	37%	0.365	S	S	.	.	H	α-helix	trans	-59.7	-45.2	178.5	0	0	0	0	0	111.6	L495 I496 V502 Y503	L495-A499 WeakPolarHBondContact O-CB 3.37Å; L495-A499 PolarHBondContact O-N 3.37Å; I496-A499 WeakPolarHBondContact O-CB 3.33Å; I496-A499 PolarHBondContact O-N 3.22Å; A499-V502 PolarHBondContact O-N 3.09Å; A499-Y503 VanDerWaalsContact O-CB 3.25Å; A499-Y503 WeakPolarHBondContact O-CB 3.26Å; A499-Y503 PolarHBondContact O-N 2.85Å
500	V	93.8	Very high	88.9	Confident	37 Å²	37	72.4 Å²	72.4	22%	0.224	37%	0.369	C	S	.	.	H	α-helix	trans	-63.3	-44	177.3	173.7	0	0	0	0	111.4	W166 F169 I496 M497 I498 Y503 Q504	W166-V500 HydrophobicContact CB-CG1 4Å; W166-V500 HydrophobicContact CE3-CG1 3.97Å; F169-V500 HydrophobicContact CD2-CG1 4.11Å; I496-V500 HydrophobicContact CG2-CG2 4.32Å; I496-V500 PolarHBondContact O-N 3.44Å; I496-V500 WeakPolarHBondContact O-CG2 3.2Å; I496-V500 VanDerWaalsContact O-CG2 3.3Å; M497-V500 PolarHBondContact O-N 3.38Å; I498-V500 VanDerWaalsContact C-N 3.35Å; I498-V500 PolarHBondContact O-N 2.92Å; V500-Y503 PolarHBondContact O-N 3.04Å; V500-Q504 WeakPolarHBondContact O-CG 3.4Å; V500-Q504 PolarHBondContact O-N 3.4Å
501	F	92.8	Very high	86.9	Confident	55 Å²	55	77.2 Å²	77.2	24%	0.241	39%	0.391	C	S	.	.	H	α-helix	trans	-62	-46.5	176.6	-178.6	-103.9	0	0	0	112.3	F169 F172 M497 I498 Q504 R505	F169-F501 HydrophobicContact CB-CD2 4.11Å; F169-F501 AromaticContact CD1-CD2 3.93Å; F169-F501 HydrophobicContact CD1-CD2 3.93Å; F169-F501 HydrophobicContact CD2-CB 3.84Å; F169-F501 HydrophobicContact CD2-CD2 4.21Å; F169-F501 HydrophobicContact CE1-CD2 4.45Å; F169-F501 HydrophobicContact CE2-CB 3.91Å; F169-F501 HydrophobicContact CG-CB 4.32Å; F169-F501 AromaticContact CG-CD2 3.82Å; F169-F501 HydrophobicContact CG-CD2 3.82Å; F169-F501 HydrophobicContact CZ-CB 4.41Å; F172-F501 HydrophobicContact CD1-CE2 4.23Å; F172-F501 HydrophobicContact CE1-CE2 4.33Å; M497-F501 WeakPolarHBondContact O-CB 3.43Å; M497-F501 PolarHBondContact O-N 3.47Å; I498-F501 PolarHBondContact O-N 3.48Å; F501-Q504 PolarHBondContact O-N 3.4Å; F501-R505 WeakPolarHBondContact O-CB 3.49Å; F501-R505 PolarHBondContact O-N 2.96Å
502	V	92	Very high	84.8	Confident	64 Å²	64	82.7 Å²	82.7	39%	0.388	41%	0.408	S	S	.	.	H	α-helix	trans	-63.7	-43.6	177.9	171.2	0	0	0	0	110.9	I498 A499 R505 K506	I498-V502 HydrophobicContact CG2-CG2 4.31Å; I498-V502 PolarHBondContact O-N 3.05Å; I498-V502 WeakPolarHBondContact O-CG2 3.32Å; I498-V502 WeakPolarHBondContact O-CB 3.4Å; I498-V502 VanDerWaalsContact O-CG2 3.31Å; A499-V502 PolarHBondContact O-N 3.09Å; V502-R505 PolarHBondContact O-N 2.99Å; V502-K506 HydrophobicContact CG1-CD 4.27Å; V502-K506 HydrophobicContact CG1-CG 4.45Å; V502-K506 WeakPolarHBondContact O-CG 3.43Å; V502-K506 PolarHBondContact O-N 3.35Å
503	Y	91.3	Very high	82.4	Confident	143 Å²	143	91.1 Å²	91.1	56%	0.561	43%	0.43	S	S	*	.	H	α-helix	trans	-59.7	-48.5	177.2	178.4	-102.6	0	0	0	111.8	A499 V500 R505 K506 T507	A499-Y503 VanDerWaalsContact O-CB 3.25Å; A499-Y503 WeakPolarHBondContact O-CB 3.26Å; A499-Y503 PolarHBondContact O-N 2.85Å; V500-Y503 PolarHBondContact O-N 3.04Å; Y503-R505 VanDerWaalsContact C-N 3.32Å; Y503-R505 PolarHBondContact O-N 2.7Å; Y503-K506 PolarHBondContact O-N 2.95Å; Y503-T507 HydrophobicContact CE2-CG2 4.1Å; Y503-T507 HydrophobicContact CE1-CG2 4.14Å; Y503-T507 PolarHBondContact O-OG1 3.2Å; Y503-T507 WeakPolarHBondContact O-CG2 3.35Å; Y503-T507 PolarHBondContact O-N 3.21Å
504	Q	88.1	Confident	79.8	Confident	9 Å²	9	96.3 Å²	96.3	4%	0.042	45%	0.454	C	S	.	.	H	α-helix	trans	-61	-38.6	175.9	-75.2	-171.9	12.6	0	0	113	W166 F169 R170 V500 F501 T507 K508	W166-Q504 HydrophobicContact CE3-CG 3.77Å; W166-Q504 HydrophobicContact CH2-CG 4.1Å; W166-Q504 HydrophobicContact CZ3-CG 3.37Å; W166-Q504 VanDerWaalsContact CZ3-NE2 3.27Å; W166-Q504 PolarHBondContact O-NE2 3.34Å; F169-Q504 PolarHBondContact O-OE1 3.03Å; R170-Q504 VanDerWaalsContact N-OE1 3.1Å; V500-Q504 WeakPolarHBondContact O-CG 3.4Å; V500-Q504 PolarHBondContact O-N 3.4Å; F501-Q504 PolarHBondContact O-N 3.4Å; Q504-T507 WeakPolarHBondContact CA-OG1 3.45Å; Q504-T507 PolarHBondContact O-OG1 3.43Å; Q504-K508 WeakPolarHBondContact O-CB 3.44Å; Q504-K508 PolarHBondContact O-N 3.48Å; Q504-K508 VanDerWaalsContact O-N 3.12Å
505	R	84.1	Confident	77.1	Confident	120 Å²	120	95.6 Å²	95.6	45%	0.453	46%	0.464	S	S	.	.	H	α-helix	trans	-70	-38.1	179.2	-166.6	174.2	-176	169.4	1.7	111.9	F501 V502 Y503 R509	F501-R505 WeakPolarHBondContact O-CB 3.49Å; F501-R505 PolarHBondContact O-N 2.96Å; V502-R505 PolarHBondContact O-N 2.99Å; Y503-R505 VanDerWaalsContact C-N 3.32Å; Y503-R505 PolarHBondContact O-N 2.7Å; R505-R509 WeakPolarHBondContact O-CG 3.37Å; R505-R509 PolarHBondContact O-N 2.77Å; R505-R509 VanDerWaalsContact O-N 3.13Å
506	K	84.7	Confident	74.2	Confident	147 Å²	147	100.9 Å²	100.9	64%	0.639	48%	0.476	S	S	*	.	H	α-helix	trans	-66.3	-47.2	175.7	-78	-174.5	178.1	-178.1	0	111.7	V502 Y503 K508 R509 S510	V502-K506 HydrophobicContact CG1-CD 4.27Å; V502-K506 HydrophobicContact CG1-CG 4.45Å; V502-K506 WeakPolarHBondContact O-CG 3.43Å; V502-K506 PolarHBondContact O-N 3.35Å; Y503-K506 PolarHBondContact O-N 2.95Å; K506-K508 VanDerWaalsContact C-N 3.34Å; K506-K508 PolarHBondContact O-N 2.83Å; K506-R509 PolarHBondContact O-N 3.22Å; K506-R509 VanDerWaalsContact O-N 3.16Å; K506-S510 PolarHBondContact O-N 3.27Å
507	T	78.1	Confident	71.6	Confident	51 Å²	51	103.1 Å²	103.1	31%	0.313	49%	0.487	S	S	.	.	H	α-helix	trans	-61.6	-40.5	178	48.5	0	0	0	0	112.1	Y503 Q504 R509 S510 H511	Y503-T507 HydrophobicContact CE2-CG2 4.1Å; Y503-T507 HydrophobicContact CE1-CG2 4.14Å; Y503-T507 PolarHBondContact O-OG1 3.2Å; Y503-T507 WeakPolarHBondContact O-CG2 3.35Å; Y503-T507 PolarHBondContact O-N 3.21Å; Q504-T507 WeakPolarHBondContact CA-OG1 3.45Å; Q504-T507 PolarHBondContact O-OG1 3.43Å; T507-R509 PolarHBondContact O-N 3.37Å; T507-S510 PolarHBondContact O-N 3.41Å; T507-H511 PolarHBondContact O-N 2.91Å
508	K	70.1	Confident	68.5	Low	113 Å²	113	108.8 Å²	108.8	49%	0.491	52%	0.518	S	S	.	.	H	α-helix	trans	-61.7	-43.1	172.8	-171.5	178.6	179.2	-174.9	0	112.7	N173 Q504 K506 H512	N173-K508 HydrophobicContact CB-CD 4.45Å; N173-K508 PolarHBondContact O-NZ 2.98Å; Q504-K508 WeakPolarHBondContact O-CB 3.44Å; Q504-K508 PolarHBondContact O-N 3.48Å; Q504-K508 VanDerWaalsContact O-N 3.12Å; K506-K508 VanDerWaalsContact C-N 3.34Å; K506-K508 PolarHBondContact O-N 2.83Å; K508-H512 WeakPolarHBondContact O-CB 3.39Å; K508-H512 PolarHBondContact O-N 2.93Å
509	R	63.4	Low	65.9	Low	160 Å²	160	110.8 Å²	110.8	60%	0.604	54%	0.535	S	S	*	.	H	α-helix	trans	-66.9	-36.1	177.2	-77.7	179	172.8	177.6	-2.6	112.4	R505 K506 T507 H512 R513	R505-R509 WeakPolarHBondContact O-CG 3.37Å; R505-R509 PolarHBondContact O-N 2.77Å; R505-R509 VanDerWaalsContact O-N 3.13Å; K506-R509 PolarHBondContact O-N 3.22Å; K506-R509 VanDerWaalsContact O-N 3.16Å; T507-R509 PolarHBondContact O-N 3.37Å; R509-H512 PolarHBondContact O-N 2.66Å; R509-R513 PolarHBondContact O-N 3.18Å
510	S	57.8	Low	63	Low	58 Å²	58	117.1 Å²	117.1	41%	0.406	55%	0.552	S	S	.	*	H	α-helix	trans	-62.5	-51.2	174.1	-161.2	0	0	0	0	111.1	K506 T507 H512 R513 E514	K506-S510 PolarHBondContact O-N 3.27Å; T507-S510 PolarHBondContact O-N 3.41Å; S510-H512 PolarHBondContact O-N 3.21Å; S510-R513 CarbonylContact O-C 3.44Å; S510-R513 WeakPolarHBondContact O-CA 2.96Å; S510-R513 PolarHBondContact O-N 3.41Å; S510-E514 PolarHBondContact O-N 3.25Å
511	H	55.9	Low	60.6	Low	116 Å²	116	122.3 Å²	122.3	54%	0.537	58%	0.578	S	S	.	*	H	α-helix	trans	-62.4	-27.2	175.5	-80.3	-46.1	0	0	0	113.9	T507 G515	T507-H511 PolarHBondContact O-N 2.91Å; H511-G515 WeakPolarHBondContact O-CA 3.11Å; H511-G515 PolarHBondContact O-N 3.36Å
512	H	53.8	Low	58	Low	166 Å²	166	123.2 Å²	123.2	77%	0.769	60%	0.603	S	S	*	*	H	α-helix	trans	-79.7	-25.1	173.9	-141.5	37.6	0	0	0	113	K508 R509 S510	K508-H512 WeakPolarHBondContact O-CB 3.39Å; K508-H512 PolarHBondContact O-N 2.93Å; R509-H512 PolarHBondContact O-N 2.66Å; S510-H512 PolarHBondContact O-N 3.21Å
513	R	46.3	Very low	55.5	Low	221 Å²	221	124.6 Å²	124.6	83%	0.834	61%	0.608	S	S	*	*	H	α-helix	trans	-78.4	-42.6	171.3	-97.1	-178	169.7	-178.1	-4	111.9	R509 S510	R509-R513 PolarHBondContact O-N 3.18Å; S510-R513 CarbonylContact O-C 3.44Å; S510-R513 WeakPolarHBondContact O-CA 2.96Å; S510-R513 PolarHBondContact O-N 3.41Å
514	E	45	Very low	53	Low	113 Å²	113	124.8 Å²	124.8	53%	0.528	61%	0.614	S	S	.	*	H	α-helix	trans	-74.3	-24.4	173.2	-78.5	167.9	154	0	0	112.2	S510 R516 I517	S510-E514 PolarHBondContact O-N 3.25Å; E514-R516 PolarHBondContact O-N 3.42Å; E514-I517 PolarHBondContact O-N 3.43Å; E514-I517 WeakPolarHBondContact O-CA 2.91Å; E514-I517 CarbonylContact O-C 3.51Å
515	G	39.6	Very low	50.7	Low	57 Å²	57	131.4 Å²	131.4	59%	0.588	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.5	4.2	172.2	0	0	0	0	0	115.4	H511	H511-G515 WeakPolarHBondContact O-CA 3.11Å; H511-G515 PolarHBondContact O-N 3.36Å
516	R	37.8	Very low	48.5	Very low	230 Å²	230	132.9 Å²	132.9	87%	0.868	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.3	-3.8	164.3	-145.5	-179.8	-76.6	-167.6	-4.2	112.6	E514	E514-R516 PolarHBondContact O-N 3.42Å
517	I	42	Very low	46.2	Very low	136 Å²	136	130.1 Å²	130.1	70%	0.697	66%	0.656	S	S	*	*	S	Bend	trans	-140.8	89.2	171.8	-55.3	179	0	0	0	108.1	E514	E514-I517 PolarHBondContact O-N 3.43Å; E514-I517 WeakPolarHBondContact O-CA 2.91Å; E514-I517 CarbonylContact O-C 3.51Å
518	N	31.3	Very low	44.4	Very low	133 Å²	133	136 Å²	136	71%	0.711	67%	0.674	S	S	*	*			trans	69.4	119.2	169.7	-61.6	-21.2	0	0	0	118	F520	N518-F520 PolarHBondContact O-N 3.22Å; N518-F520 VanDerWaalsContact O-N 3.17Å
519	T	40.4	Very low	43	Very low	138 Å²	138	139 Å²	139	85%	0.847	69%	0.687	S	S	*	*			trans	-53.5	108.7	157.8	43	0	0	0	0	110.7
520	F	34.9	Very low	41.7	Very low	193 Å²	193	137.1 Å²	137.1	85%	0.846	69%	0.689	S	S	*	*			trans	-140	126.1	161.4	-113.1	-89.8	0	0	0	111.3	N518	N518-F520 PolarHBondContact O-N 3.22Å; N518-F520 VanDerWaalsContact O-N 3.17Å
521	D	43.3	Very low	40.7	Very low	145 Å²	145	144.7 Å²	144.7	78%	0.775	71%	0.709	S	S	*	*			trans	-70.4	153.6	-168	-107.6	-34.3	0	0	0	114.2	L523	D521-L523 PolarHBondContact O-N 3.08Å
522	G	38.1	Very low	40.1	Very low	74 Å²	74	147.1 Å²	147.1	76%	0.763	72%	0.72	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.5	47.6	177.7	0	0	0	0	0	115.7
523	L	39.2	Very low	39.5	Very low	93 Å²	93	147.1 Å²	147.1	49%	0.487	72%	0.72	S	S	.	*	T	Hydrogen-bonded Turn	trans	-97.6	-10.5	173.3	-124.7	91.1	0	0	0	113.9	M1 D521	M1-L523 HydrophobicContact CE-CD2 4.21Å; D521-L523 PolarHBondContact O-N 3.08Å
524	E	38.4	Very low	39	Very low	148 Å²	148	146 Å²	146	69%	0.692	72%	0.722	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.6	-25.6	-171.5	-83	-144.2	140.3	0	0	115.7	L526 L527 Y528	E524-L526 PolarHBondContact O-N 3.01Å; E524-L527 PolarHBondContact O-N 3.25Å; E524-Y528 PolarHBondContact O-N 3.43Å
525	L	40.9	Very low	38.5	Very low	148 Å²	148	150.9 Å²	150.9	78%	0.775	76%	0.76	S	S	*	*	H	α-helix	trans	-68.5	-21.8	179	-122.2	103.7	0	0	0	113.1
526	L	36.5	Very low	38.4	Very low	151 Å²	151	155.6 Å²	155.6	79%	0.791	77%	0.768	S	S	*	*	H	α-helix	trans	-89.8	-12.4	172.3	-84.8	161.8	0	0	0	113	E524	E524-L526 PolarHBondContact O-N 3.01Å
527	L	38.1	Very low	38.5	Very low	88 Å²	88	151.7 Å²	151.7	46%	0.461	76%	0.763	S	S	.	*	H	α-helix	trans	-94.3	-27	176.6	-69.9	170.5	0	0	0	112.2	E524 F529 N530 R531	E524-L527 PolarHBondContact O-N 3.25Å; L527-F529 PolarHBondContact O-N 3.24Å; L527-N530 PolarHBondContact O-N 2.95Å; L527-R531 PolarHBondContact O-N 3.2Å
528	Y	39.2	Very low	38.3	Very low	176 Å²	176	152.6 Å²	152.6	69%	0.69	77%	0.767	S	S	*	*	H	α-helix	trans	-64.6	-39.3	177.5	-165	-98.4	0	0	0	112.6	E524 N530	E524-Y528 PolarHBondContact O-N 3.43Å; Y528-N530 VanDerWaalsContact C-N 3.32Å; Y528-N530 PolarHBondContact O-N 2.68Å
529	F	40.4	Very low	38.7	Very low	175 Å²	175	153.7 Å²	153.7	77%	0.768	77%	0.77	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.9	-13.7	175.9	-83.9	-77.6	0	0	0	114.5	L527	L527-F529 PolarHBondContact O-N 3.24Å
530	N	36.1	Very low	38.6	Very low	120 Å²	120	154.7 Å²	154.7	64%	0.642	77%	0.765	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.3	-9.3	-177.4	-146.1	12.8	0	0	0	113.2	L527 Y528	L527-N530 PolarHBondContact O-N 2.95Å; Y528-N530 VanDerWaalsContact C-N 3.32Å; Y528-N530 PolarHBondContact O-N 2.68Å
531	R	38.3	Very low	38.8	Very low	217 Å²	217	152.1 Å²	152.1	82%	0.819	76%	0.76	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.4	-5.2	178.2	-104.3	-174.9	-169.3	178.8	5.5	114.9	L527	L527-R531 PolarHBondContact O-N 3.2Å
532	H	41.9	Very low	38.5	Very low	167 Å²	167	152.6 Å²	152.6	77%	0.773	76%	0.759	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.1	16.7	-179.4	-98.5	-57.8	0	0	0	115.3
533	Q	40.8	Very low	38.5	Very low	166 Å²	166	158.7 Å²	158.7	78%	0.776	76%	0.758	S	S	*	*	S	Bend	trans	-127.6	0.9	-178.3	-121	-177	0.9	0	0	118.2
534	K	36.1	Very low	38.5	Very low	197 Å²	197	164.2 Å²	164.2	86%	0.857	78%	0.781	S	S	*	*			trans	-148.3	111.5	169.1	-69.9	-170	176.2	178.3	0	111.6
535	T	35.1	Very low	38.5	Very low	217 Å²	217	165.6 Å²	165.6	100%	1.331	79%	0.789	S	S	*	*			trans	-49.6	0	145.6	41	0	0	0	0	111.1

Retrieved 535 of 535 residues in 790.5 ms (Link to these results)

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