A0A077ZLJ0_TRITR Loading...

DUF162 and DUF3390 and CCG and Fer4 8 domain cont aining protein

AlphaFold DB , UniProt , Accession A0A077ZLJ0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 869 aa.

						>A0A077ZLJ0_TRITR|A0A077ZLJ0
MARDSVLLLEKLGCRVNFPEKQGCCGQPAINSGYIKEAIPGMKNLIAALEDNDDPIISPAGSCTYAVKSYPMYLADEPEWASRAAKVAARMQDLTSFIVNKLGVVDVGASLQGRAVYHPSCSLARKLGVKDEPLTLLKNVRGLELLTFAEQDTCCGFGGTFSVKMAEISGEMVKEKVAHLMEVRPEYLIGADTRIRQQIEDPIMRKAVANAQQRIGANRQKMVDELGHWEEWRDRAAQIRDHVLSNLDAYLYQLSEKVTQNGGHVYFARTKEDATRYILQVAQRKNARKVVKSKSMVTEEIGVNHVLQDAGIQVIETDLGEYILQLDQDPPSHVVVPAIHKDRHQIRRVLHERLGYEGPETPEAMTLFIRQKIREDFLSAEIGITGCNFAVAETGSVCLVTNEGNARMCTTLPKTHIAVMGMERIAPTFAEVDVLITMLARSAVGARLTGYNTWLTGPREAGHVDGPEEFHLVIVDNGRSEVLASEFRDVLRCIRCGACMNTCPAYRHIGGHGYGSIYPGPIGAVISPRLGGYKDFKDLPYACSLCTACDNVCPVRIPLSKLILRHRRVMAEKGITAKAEQRAIKMFAYANSHPGLWKVGMMAGAHAASWFINGGKTPLKFGAISDWMEARDLPEADGESFRSEFLNNVAQALGRPLRLEPQAEDAPLNNYANERLTQLNQQQRCDAFIQFASDVMLTRCELTSEAKAAEAAIRLCKELGDQSVVISGDTRLEELGISERLQQECNAVVWDPAKGAENISQAEQAKVGVVYAEYGLTESGGVVLFSAAERGRSLSLLPEYSLFILRKSTILPRVAQLAEKLHQKAQAGERMPSCINIISGPSSTADIELIKVVGVHGPVKAVYLIIEDC
					

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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	63.2	Low	85.5	Confident	117 Å²	117	79.3 Å²	79.3	58%	0.576	40%	0.396	S	S	*	.				0	-85.6	0	-165.1	160.7	80.6	0	0	111.5	R3 D4 S5 P59 A60	M1-R3 PolarHBondContact O-N 3.47Å; M1-D4 WeakPolarHBondContact CA-OD2 3.27Å; M1-D4 PolarHBondContact N-OD2 3.45Å; M1-D4 CarbonylContact O-C 3.59Å; M1-D4 WeakPolarHBondContact O-CA 3.36Å; M1-D4 WeakPolarHBondContact O-CB 3.31Å; M1-D4 PolarHBondContact O-N 3.18Å; M1-S5 PolarHBondContact O-N 2.93Å; M1-S5 PolarHBondContact O-OG 3.27Å; M1-P59 HydrophobicContact CE-CG 4.2Å; M1-P59 HydrophobicContact CG-CB 3.93Å; M1-P59 HydrophobicContact CG-CG 3.85Å; M1-P59 HydrophobicContact SD-CB 4.16Å; M1-P59 HydrophobicContact SD-CG 4.28Å; M1-A60 HydrophobicContact CE-CB 4.15Å
2	A	70.5	Confident	86.3	Confident	64 Å²	64	76.3 Å²	76.3	53%	0.529	38%	0.382	S	S	.	.	H	α-helix	trans	-49.2	-54.3	-168.5	0	0	0	0	0	115.2	D4 S5 V6	A2-D4 VanDerWaalsContact C-N 3.28Å; A2-D4 PolarHBondContact O-N 3.16Å; A2-S5 WeakPolarHBondContact O-CB 3.24Å; A2-S5 PolarHBondContact O-N 2.98Å; A2-V6 WeakPolarHBondContact O-CG2 3.36Å; A2-V6 PolarHBondContact O-N 3.43Å
3	R	79.3	Confident	87	Confident	182 Å²	182	75.9 Å²	75.9	69%	0.687	41%	0.409	S	S	*	.	H	α-helix	trans	-52.4	-45.3	173.9	-179.4	-163.2	67.2	178.5	0.5	112.5	M1 S5 V6 L7	M1-R3 PolarHBondContact O-N 3.47Å; R3-S5 VanDerWaalsContact C-N 3.32Å; R3-V6 WeakPolarHBondContact O-CB 3.41Å; R3-V6 PolarHBondContact O-N 2.83Å; R3-L7 HydrophobicContact CG-CD1 3.99Å; R3-L7 WeakPolarHBondContact O-CG 3.49Å; R3-L7 PolarHBondContact O-N 3.32Å
4	D	84.6	Confident	87.6	Confident	67 Å²	67	72.6 Å²	72.6	36%	0.358	39%	0.394	S	S	.	.	H	α-helix	trans	-74.5	-28.5	-173.1	-36	-63	0	0	0	111	M1 A2 L8	M1-D4 WeakPolarHBondContact CA-OD2 3.27Å; M1-D4 PolarHBondContact N-OD2 3.45Å; M1-D4 CarbonylContact O-C 3.59Å; M1-D4 WeakPolarHBondContact O-CA 3.36Å; M1-D4 WeakPolarHBondContact O-CB 3.31Å; M1-D4 PolarHBondContact O-N 3.18Å; A2-D4 VanDerWaalsContact C-N 3.28Å; A2-D4 PolarHBondContact O-N 3.16Å; D4-L8 VanDerWaalsContact O-CB 3.27Å; D4-L8 WeakPolarHBondContact O-CB 3.3Å; D4-L8 PolarHBondContact O-N 2.97Å
5	S	87.4	Confident	88	Confident	16 Å²	16	84.1 Å²	84.1	11%	0.112	43%	0.429	C	S	.	.	H	α-helix	trans	-68.2	-39.9	168.5	-54.8	0	0	0	0	112.4	M1 A2 R3 L9 P59	M1-S5 PolarHBondContact O-N 2.93Å; M1-S5 PolarHBondContact O-OG 3.27Å; A2-S5 WeakPolarHBondContact O-CB 3.24Å; A2-S5 PolarHBondContact O-N 2.98Å; R3-S5 VanDerWaalsContact C-N 3.32Å; S5-L9 VanDerWaalsContact O-CG 3.32Å; S5-L9 WeakPolarHBondContact O-CG 3.44Å; S5-L9 PolarHBondContact O-N 3.27Å; S5-P59 WeakPolarHBondContact OG-CB 3.47Å
6	V	88.8	Confident	88.2	Confident	41 Å²	41	81.8 Å²	81.8	25%	0.248	42%	0.42	C	S	.	.	H	α-helix	trans	-62.2	-54	173.1	175.8	0	0	0	0	109.9	A2 R3 L8 L9 E10 V16	A2-V6 WeakPolarHBondContact O-CG2 3.36Å; A2-V6 PolarHBondContact O-N 3.43Å; R3-V6 WeakPolarHBondContact O-CB 3.41Å; R3-V6 PolarHBondContact O-N 2.83Å; V6-L8 VanDerWaalsContact C-N 3.26Å; V6-L8 PolarHBondContact O-N 2.96Å; V6-L9 PolarHBondContact O-N 3.11Å; V6-E10 HydrophobicContact CG1-CG 4.25Å; V6-E10 WeakPolarHBondContact O-CG 3.32Å; V6-E10 PolarHBondContact O-N 3.32Å; V6-V16 HydrophobicContact CG1-CB 4.14Å; V6-V16 HydrophobicContact CG1-CG1 4.27Å; V6-V16 HydrophobicContact CG1-CG2 4.25Å; V6-V16 HydrophobicContact CG2-CG1 4.22Å
7	L	91.2	Very high	88.4	Confident	93 Å²	93	81.4 Å²	81.4	49%	0.487	42%	0.419	S	S	.	.	H	α-helix	trans	-58.9	-34.5	179.3	-68.4	170	0	0	0	113	R3 K11	R3-L7 HydrophobicContact CG-CD1 3.99Å; R3-L7 WeakPolarHBondContact O-CG 3.49Å; R3-L7 PolarHBondContact O-N 3.32Å; L7-K11 VanDerWaalsContact O-CB 3.31Å; L7-K11 WeakPolarHBondContact O-CB 3.47Å; L7-K11 PolarHBondContact O-N 3.44Å
8	L	93	Very high	88.3	Confident	47 Å²	47	84.1 Å²	84.1	25%	0.246	43%	0.427	C	S	.	.	H	α-helix	trans	-67.4	-45.6	174	177.9	60.3	0	0	0	111.8	D4 V6 K11 L12 I98 V107	D4-L8 VanDerWaalsContact O-CB 3.27Å; D4-L8 WeakPolarHBondContact O-CB 3.3Å; D4-L8 PolarHBondContact O-N 2.97Å; V6-L8 VanDerWaalsContact C-N 3.26Å; V6-L8 PolarHBondContact O-N 2.96Å; L8-K11 PolarHBondContact O-N 3.44Å; L8-L12 HydrophobicContact CD1-CD1 4.18Å; L8-L12 HydrophobicContact CD1-CG 4.44Å; L8-L12 HydrophobicContact CG-CD1 4.26Å; L8-L12 VanDerWaalsContact O-CG 3.28Å; L8-L12 WeakPolarHBondContact O-CG 3.46Å; L8-L12 PolarHBondContact O-N 2.91Å; L8-I98 HydrophobicContact CD2-CD1 3.76Å; L8-I98 HydrophobicContact CG-CD1 4.24Å; L8-V107 HydrophobicContact CD1-CB 4.03Å; L8-V107 HydrophobicContact CD1-CG1 4.26Å; L8-V107 HydrophobicContact CD1-CG2 4.2Å
9	L	94.3	Very high	88.2	Confident	13 Å²	13	80.7 Å²	80.7	7%	0.068	41%	0.412	C	S	.	.	H	α-helix	trans	-64.6	-41.4	177.6	-72.9	169.5	0	0	0	111.5	S5 V6 L12 G13 C14 V16 I57 L94 F97	S5-L9 VanDerWaalsContact O-CG 3.32Å; S5-L9 WeakPolarHBondContact O-CG 3.44Å; S5-L9 PolarHBondContact O-N 3.27Å; V6-L9 PolarHBondContact O-N 3.11Å; L9-L12 CarbonylContact O-C 3.26Å; L9-L12 WeakPolarHBondContact O-CA 3.45Å; L9-L12 PolarHBondContact O-N 3.39Å; L9-L12 VanDerWaalsContact O-N 3.1Å; L9-G13 PolarHBondContact O-N 2.9Å; L9-C14 HydrophobicContact CB-CB 4.09Å; L9-C14 VanDerWaalsContact O-CB 3.31Å; L9-C14 WeakPolarHBondContact O-CB 2.99Å; L9-C14 PolarHBondContact O-N 2.93Å; L9-V16 HydrophobicContact CB-CG2 3.7Å; L9-V16 HydrophobicContact CD1-CG2 4.24Å; L9-I57 HydrophobicContact CD1-CB 4.43Å; L9-I57 HydrophobicContact CD1-CG2 4.31Å; L9-L94 HydrophobicContact CD1-CD1 4.05Å; L9-L94 HydrophobicContact CD2-CD1 3.92Å; L9-L94 HydrophobicContact CG-CD1 3.95Å; L9-F97 HydrophobicContact CD2-CD1 3.99Å; L9-F97 HydrophobicContact CD2-CE1 3.91Å
10	E	94.1	Very high	87.9	Confident	98 Å²	98	84 Å²	84	46%	0.458	43%	0.426	S	S	.	.	H	α-helix	trans	-63	-42.6	174.8	-69.3	175.6	143.3	0	0	112	V6 L12 G13 C14 V16	V6-E10 HydrophobicContact CG1-CG 4.25Å; V6-E10 WeakPolarHBondContact O-CG 3.32Å; V6-E10 PolarHBondContact O-N 3.32Å; E10-L12 PolarHBondContact O-N 3.35Å; E10-G13 PolarHBondContact O-N 2.7Å; E10-C14 WeakPolarHBondContact CA-O 3.49Å; E10-V16 HydrophobicContact CG-CG2 4.11Å
11	K	94	Very high	87.8	Confident	134 Å²	134	86.5 Å²	86.5	58%	0.583	43%	0.433	S	S	*	.	H	α-helix	trans	-60.8	-30.4	172.4	-170.7	-165.6	176.6	-162.7	0	112.2	L7 L8 G13 V107 G108	L7-K11 VanDerWaalsContact O-CB 3.31Å; L7-K11 WeakPolarHBondContact O-CB 3.47Å; L7-K11 PolarHBondContact O-N 3.44Å; L8-K11 PolarHBondContact O-N 3.44Å; K11-G13 VanDerWaalsContact C-N 3.26Å; K11-G13 PolarHBondContact O-N 3.23Å; K11-V107 PolarHBondContact NZ-O 2.87Å; K11-G108 PolarHBondContact NZ-O 3.27Å
12	L	95.5	Very high	88.9	Confident	44 Å²	44	83.8 Å²	83.8	23%	0.23	42%	0.419	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.1	15.6	174.4	-64.4	175	0	0	0	113.2	L8 L9 E10 C14 I98 L102 V104 V107	L8-L12 HydrophobicContact CD1-CD1 4.18Å; L8-L12 HydrophobicContact CD1-CG 4.44Å; L8-L12 HydrophobicContact CG-CD1 4.26Å; L8-L12 VanDerWaalsContact O-CG 3.28Å; L8-L12 WeakPolarHBondContact O-CG 3.46Å; L8-L12 PolarHBondContact O-N 2.91Å; L9-L12 CarbonylContact O-C 3.26Å; L9-L12 WeakPolarHBondContact O-CA 3.45Å; L9-L12 PolarHBondContact O-N 3.39Å; L9-L12 VanDerWaalsContact O-N 3.1Å; E10-L12 PolarHBondContact O-N 3.35Å; L12-C14 VanDerWaalsContact C-N 3.3Å; L12-C14 PolarHBondContact O-N 2.82Å; L12-I98 HydrophobicContact CD1-CD1 4.01Å; L12-I98 HydrophobicContact CD1-CG1 3.97Å; L12-I98 HydrophobicContact CD1-CG2 3.95Å; L12-L102 HydrophobicContact CB-CD1 4.26Å; L12-L102 HydrophobicContact CD1-CD1 4.25Å; L12-V104 HydrophobicContact CD2-CG1 3.99Å; L12-V104 HydrophobicContact CD2-CG2 4.5Å; L12-V107 HydrophobicContact CD1-CG1 4.06Å; L12-V107 HydrophobicContact CD2-CB 4.38Å; L12-V107 HydrophobicContact CD2-CG1 4.22Å
13	G	94.6	Very high	89.7	Confident	71 Å²	71	81.3 Å²	81.3	73%	0.732	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.7	4.8	174.2	0	0	0	0	0	115.3	L9 E10 K11	L9-G13 PolarHBondContact O-N 2.9Å; E10-G13 PolarHBondContact O-N 2.7Å; K11-G13 VanDerWaalsContact C-N 3.26Å; K11-G13 PolarHBondContact O-N 3.23Å
14	C	95.3	Very high	90.2	Very high	30 Å²	30	74.1 Å²	74.1	20%	0.203	38%	0.377	C	S	.	.			trans	-82.1	126.5	177	-60.9	0	0	0	0	110.6	L9 E10 L12 V16	L9-C14 HydrophobicContact CB-CB 4.09Å; L9-C14 VanDerWaalsContact O-CB 3.31Å; L9-C14 WeakPolarHBondContact O-CB 2.99Å; L9-C14 PolarHBondContact O-N 2.93Å; E10-C14 WeakPolarHBondContact CA-O 3.49Å; L12-C14 VanDerWaalsContact C-N 3.3Å; L12-C14 PolarHBondContact O-N 2.82Å; C14-V16 PolarHBondContact O-N 3.27Å
15	R	93.8	Very high	90.5	Very high	245 Å²	245	71.3 Å²	71.3	93%	0.925	36%	0.363	S	S	*	.			trans	-77.2	115.9	166.7	-177.1	-179.7	-179.9	-175.1	-0.8	109
16	V	92.4	Very high	90.6	Very high	47 Å²	47	70.6 Å²	70.6	29%	0.285	36%	0.358	S	S	.	.			trans	-94.2	123.2	-176.4	-174	0	0	0	0	111.2	V6 L9 E10 C14	V6-V16 HydrophobicContact CG1-CB 4.14Å; V6-V16 HydrophobicContact CG1-CG1 4.27Å; V6-V16 HydrophobicContact CG1-CG2 4.25Å; V6-V16 HydrophobicContact CG2-CG1 4.22Å; L9-V16 HydrophobicContact CB-CG2 3.7Å; L9-V16 HydrophobicContact CD1-CG2 4.24Å; E10-V16 HydrophobicContact CG-CG2 4.11Å; C14-V16 PolarHBondContact O-N 3.27Å
17	N	90.3	Very high	90.4	Very high	74 Å²	74	69.9 Å²	69.9	40%	0.396	35%	0.352	S	S	.	.			trans	-88.9	141.5	163.2	-172.3	10.8	0	0	0	109.3	D51 N52	N17-D51 PolarHBondContact ND2-OD2 3.18Å; N17-N52 PolarHBondContact ND2-ND2 2.86Å
18	F	86.4	Confident	90	Very high	130 Å²	130	68.1 Å²	68.1	57%	0.57	35%	0.346	S	S	*	.			trans	-128.2	92.5	175	-170.9	-93.2	0	0	0	109.7	E20 Q22	F18-E20 PolarHBondContact O-N 3.33Å; F18-E20 VanDerWaalsContact O-N 3.16Å; F18-Q22 VanDerWaalsContact CZ-NE2 3.33Å
19	P	86.5	Confident	89.8	Confident	21 Å²	21	65.9 Å²	65.9	14%	0.136	34%	0.335	C	S	.	.			trans	-61.7	118.2	-172.3	-27.2	35.8	0	0	0	113.1	K21 Q22 A48	P19-K21 PolarHBondContact O-N 2.75Å; P19-K21 VanDerWaalsContact O-N 3.09Å; P19-Q22 VanDerWaalsContact O-CG 3.32Å; P19-Q22 WeakPolarHBondContact O-CG 3.46Å; P19-Q22 PolarHBondContact O-N 3.3Å; P19-Q22 PolarHBondContact O-NE2 3.32Å; P19-A48 WeakPolarHBondContact CB-O 3.35Å; P19-A48 VanDerWaalsContact CG-O 3.28Å; P19-A48 WeakPolarHBondContact CG-O 3.44Å
20	E	83	Confident	89.6	Confident	146 Å²	146	65.5 Å²	65.5	68%	0.682	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-24.3	-177.1	-84.6	-122.8	150.7	0	0	114.4	F18 K598	F18-E20 PolarHBondContact O-N 3.33Å; F18-E20 VanDerWaalsContact O-N 3.16Å; E20-K598 IonicContact OE1-NZ 3.17Å; E20-K598 PolarHBondContact OE1-NZ 3.34Å; E20-K598 IonicContact OE2-NZ 2.97Å; E20-K598 PolarHBondContact OE2-NZ 2.89Å
21	K	85.7	Confident	89.3	Confident	136 Å²	136	61.4 Å²	61.4	59%	0.591	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.5	-3.4	-173.9	-62.4	173.8	-173.8	164.9	0	113.9	P19 N44 A48 P594	P19-K21 PolarHBondContact O-N 2.75Å; P19-K21 VanDerWaalsContact O-N 3.09Å; K21-N44 PolarHBondContact O-ND2 3.39Å; K21-N44 VanDerWaalsContact O-ND2 3.09Å; K21-A48 HydrophobicContact CB-CB 3.88Å; K21-P594 HydrophobicContact CB-CB 4.42Å; K21-P594 HydrophobicContact CB-CG 4.24Å
22	Q	87.2	Confident	89	Confident	60 Å²	60	55.1 Å²	55.1	28%	0.28	29%	0.287	S	S	.	.			trans	-65.7	136.3	-173.5	73.7	-171.7	-95.9	0	0	113	F18 P19 L45 A48	F18-Q22 VanDerWaalsContact CZ-NE2 3.33Å; P19-Q22 VanDerWaalsContact O-CG 3.32Å; P19-Q22 WeakPolarHBondContact O-CG 3.46Å; P19-Q22 PolarHBondContact O-N 3.3Å; P19-Q22 PolarHBondContact O-NE2 3.32Å; Q22-L45 HydrophobicContact CB-CD1 3.78Å; Q22-A48 HydrophobicContact CB-CB 4.31Å
23	G	86.5	Confident	88.7	Confident	12 Å²	12	53 Å²	53	12%	0.124	28%	0.276	C	S	.	.			trans	-101.1	-174.4	172.2	0	0	0	0	0	112.8
24	C	88.8	Confident	88.6	Confident	31 Å²	31	49.8 Å²	49.8	21%	0.209	24%	0.242	C	C	.	.			trans	-63.7	146.2	160.7	-178.4	0	0	0	0	110.6	G26 F587 N591 W597	C24-G26 PolarHBondContact O-N 2.99Å; C24-F587 HydrophobicContact CB-CZ 4.22Å; C24-N591 WeakPolarHBondContact CA-OD1 3.36Å; C24-N591 VanDerWaalsContact CB-OD1 3.3Å; C24-N591 WeakPolarHBondContact CB-OD1 3.47Å; C24-N591 PolarHBondContact N-OD1 3.36Å; C24-N591 PolarHBondContact O-ND2 3.38Å; C24-N591 PolarHBondContact O-OD1 3.46Å; C24-W597 HydrophobicContact CB-CH2 3.66Å; C24-W597 HydrophobicContact CB-CZ2 3.53Å; C24-W597 HydrophobicContact CB-CZ3 4.5Å
25	C	90.9	Very high	88.4	Confident	9 Å²	9	48.6 Å²	48.6	6%	0.061	23%	0.233	C	C	.	.			trans	-63	3.4	174.1	65.6	0	0	0	0	115.4	Q27 L45 C63 A66 V67 Y70	C25-Q27 PolarHBondContact O-N 3.26Å; C25-Q27 VanDerWaalsContact O-N 3.15Å; C25-L45 HydrophobicContact CB-CD2 4.17Å; C25-C63 HydrophobicContact CB-CB 4.46Å; C25-C63 VanDerWaalsContact SG-SG 3.61Å; C25-A66 HydrophobicContact CB-CB 3.99Å; C25-V67 HydrophobicContact CB-CG2 4.28Å; C25-Y70 VanDerWaalsContact CA-OH 3.23Å; C25-Y70 WeakPolarHBondContact CA-OH 3.49Å; C25-Y70 PolarHBondContact O-OH 3.21Å
26	G	89.3	Confident	88.3	Confident	1 Å²	1	43 Å²	43	1%	0.01	22%	0.216	C	C	.	.	S	Bend	trans	73.9	-3.5	177.7	0	0	0	0	0	115.2	C24 P28 A29 I30	C24-G26 PolarHBondContact O-N 2.99Å; G26-P28 VanDerWaalsContact C-CD 3.41Å; G26-P28 VanDerWaalsContact C-N 3.34Å; G26-P28 VanDerWaalsContact O-N 3.13Å; G26-A29 PolarHBondContact O-N 3.47Å; G26-I30 WeakPolarHBondContact O-CG1 3.2Å; G26-I30 PolarHBondContact O-N 3.5Å
27	Q	86.4	Confident	88.3	Confident	26 Å²	26	43 Å²	43	12%	0.121	21%	0.213	C	C	.	.	H	α-helix	trans	-52	-37.4	-173.1	-174.9	168.8	93.6	0	0	115.5	C25 A29 I30 N31 S62 A66	C25-Q27 PolarHBondContact O-N 3.26Å; C25-Q27 VanDerWaalsContact O-N 3.15Å; Q27-A29 VanDerWaalsContact C-N 3.33Å; Q27-A29 PolarHBondContact O-N 3.49Å; Q27-I30 PolarHBondContact O-N 3.26Å; Q27-N31 WeakPolarHBondContact CG-ND2 3.2Å; Q27-N31 VanDerWaalsContact O-CB 3.29Å; Q27-N31 WeakPolarHBondContact O-CB 3.4Å; Q27-N31 PolarHBondContact O-N 3.22Å; Q27-S62 PolarHBondContact NE2-O 2.92Å; Q27-A66 HydrophobicContact CB-CB 4.13Å
28	P	82.6	Confident	88.4	Confident	55 Å²	55	39.7 Å²	39.7	36%	0.357	20%	0.195	S	C	.	.	H	α-helix	trans	-61.1	-37.9	175.9	-25.7	36.2	0	0	0	113.8	G26 S32 F587	G26-P28 VanDerWaalsContact C-CD 3.41Å; G26-P28 VanDerWaalsContact C-N 3.34Å; G26-P28 VanDerWaalsContact O-N 3.13Å; P28-S32 WeakPolarHBondContact O-CB 3.5Å; P28-S32 PolarHBondContact O-N 3.02Å; P28-S32 PolarHBondContact O-OG 2.63Å; P28-F587 HydrophobicContact CB-CZ 4.44Å; P28-F587 HydrophobicContact CG-CZ 4.18Å
29	A	88.5	Confident	88.8	Confident	1 Å²	1	34.9 Å²	34.9	1%	0.008	18%	0.175	C	C	.	.	H	α-helix	trans	-74.2	-45.1	175.5	0	0	0	0	0	111	G26 Q27 S32 G33 Y34 A38 I584 F587	G26-A29 PolarHBondContact O-N 3.47Å; Q27-A29 VanDerWaalsContact C-N 3.33Å; Q27-A29 PolarHBondContact O-N 3.49Å; A29-S32 PolarHBondContact O-N 2.99Å; A29-S32 VanDerWaalsContact O-N 3.1Å; A29-G33 PolarHBondContact O-N 3.29Å; A29-Y34 PolarHBondContact O-N 2.93Å; A29-A38 HydrophobicContact CB-CB 4.03Å; A29-I584 HydrophobicContact CB-CG2 3.84Å; A29-F587 HydrophobicContact CB-CD1 4.46Å; A29-F587 HydrophobicContact CB-CE1 4.42Å
30	I	90.2	Very high	89.2	Confident	4 Å²	4	36.8 Å²	36.8	2%	0.021	19%	0.187	C	C	.	.	H	α-helix	trans	-54.8	-57.3	176.7	-64.7	169.3	0	0	0	110.6	G26 Q27 S32 G33 I35 A38 M42 Y70 Y73 L564	G26-I30 WeakPolarHBondContact O-CG1 3.2Å; G26-I30 PolarHBondContact O-N 3.5Å; Q27-I30 PolarHBondContact O-N 3.26Å; I30-S32 PolarHBondContact O-N 3.45Å; I30-G33 PolarHBondContact O-N 3.47Å; I30-I35 HydrophobicContact CB-CD1 4.22Å; I30-I35 HydrophobicContact CG1-CD1 4.35Å; I30-I35 HydrophobicContact CG2-CD1 3.83Å; I30-A38 HydrophobicContact CG1-CB 3.93Å; I30-M42 HydrophobicContact CD1-CE 3.8Å; I30-M42 HydrophobicContact CD1-SD 4.44Å; I30-M42 HydrophobicContact CG1-CE 3.85Å; I30-Y70 HydrophobicContact CD1-CE1 4.34Å; I30-Y73 HydrophobicContact CD1-CE2 4.27Å; I30-Y73 HydrophobicContact CG2-CE1 4.47Å; I30-Y73 HydrophobicContact CG2-CE2 3.96Å; I30-Y73 WeakPolarHBondContact CG2-OH 3.46Å; I30-L564 WeakPolarHBondContact O-CD1 3.39Å
31	N	87.6	Confident	89.7	Confident	13 Å²	13	29.9 Å²	29.9	7%	0.07	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-14.7	-178.8	-72	1.5	0	0	0	113.3	Q27 L545 R567	Q27-N31 WeakPolarHBondContact CG-ND2 3.2Å; Q27-N31 VanDerWaalsContact O-CB 3.29Å; Q27-N31 WeakPolarHBondContact O-CB 3.4Å; Q27-N31 PolarHBondContact O-N 3.22Å; N31-L545 HydrophobicContact CB-CD1 3.99Å; N31-R567 WeakPolarHBondContact O-CD 3.14Å; N31-R567 PolarHBondContact O-NH1 3.49Å
32	S	86.8	Confident	90.1	Very high	1 Å²	1	23.4 Å²	23.4	1%	0.007	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.6	-10.4	176.9	-56.8	0	0	0	0	113.3	P28 A29 I30 Y34 T160 Y541	P28-S32 WeakPolarHBondContact O-CB 3.5Å; P28-S32 PolarHBondContact O-N 3.02Å; P28-S32 PolarHBondContact O-OG 2.63Å; A29-S32 PolarHBondContact O-N 2.99Å; A29-S32 VanDerWaalsContact O-N 3.1Å; I30-S32 PolarHBondContact O-N 3.45Å; S32-Y34 WeakPolarHBondContact O-CE2 3.24Å; S32-T160 WeakPolarHBondContact OG-CB 3.31Å; S32-T160 WeakPolarHBondContact OG-CG2 3.48Å; S32-T160 PolarHBondContact OG-OG1 3.23Å; S32-Y541 PolarHBondContact O-OH 3.11Å
33	G	89.8	Confident	90.5	Very high	1 Å²	1	22.4 Å²	22.4	1%	0.01	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	109.7	-11.5	179.9	0	0	0	0	0	115.4	A29 I30 I35 R568	A29-G33 PolarHBondContact O-N 3.29Å; I30-G33 PolarHBondContact O-N 3.47Å; G33-I35 VanDerWaalsContact C-N 3.26Å; G33-I35 PolarHBondContact O-N 2.85Å; G33-R568 WeakPolarHBondContact O-CA 3.24Å
34	Y	92.2	Very high	90.9	Very high	2 Å²	2	23.2 Å²	23.2	1%	0.008	12%	0.123	C	C	.	.			trans	-88.1	61.4	-167.9	-58.5	-99.8	0	0	0	111.2	A29 S32 E37 A38 A571 T576 E580 Q581 I584	A29-Y34 PolarHBondContact O-N 2.93Å; S32-Y34 WeakPolarHBondContact O-CE2 3.24Å; Y34-E37 WeakPolarHBondContact CB-OE2 3.39Å; Y34-A38 WeakPolarHBondContact O-CB 3.44Å; Y34-A38 PolarHBondContact O-N 2.76Å; Y34-A571 HydrophobicContact CD1-CB 3.89Å; Y34-A571 HydrophobicContact CD2-CB 4.15Å; Y34-A571 HydrophobicContact CE1-CB 3.86Å; Y34-A571 HydrophobicContact CE2-CB 4.1Å; Y34-A571 HydrophobicContact CG-CB 4.06Å; Y34-T576 VanDerWaalsContact OH-CB 3.23Å; Y34-T576 WeakPolarHBondContact OH-CB 3.48Å; Y34-T576 PolarHBondContact OH-OG1 2.99Å; Y34-E580 VanDerWaalsContact CE2-OE1 3.3Å; Y34-E580 WeakPolarHBondContact CE2-OE1 3.36Å; Y34-E580 VanDerWaalsContact OH-CD 3.22Å; Y34-E580 PolarHBondContact OH-OE1 2.75Å; Y34-Q581 HydrophobicContact CE1-CG 4.1Å; Y34-I584 HydrophobicContact CD1-CG2 4.16Å; Y34-I584 HydrophobicContact CD2-CB 4.5Å; Y34-I584 HydrophobicContact CD2-CD1 3.51Å; Y34-I584 HydrophobicContact CD2-CG2 3.96Å; Y34-I584 HydrophobicContact CE2-CD1 3.35Å; Y34-I584 HydrophobicContact CG-CB 4.43Å; Y34-I584 HydrophobicContact CG-CD1 4.27Å; Y34-I584 HydrophobicContact CG-CG2 3.68Å
35	I	92	Very high	91.2	Very high	6 Å²	6	22.2 Å²	22.2	3%	0.031	12%	0.116	C	C	.	.	H	α-helix	trans	-62.4	-43.8	-178.5	-52.4	-55.2	0	0	0	110.6	I30 G33 E37 A38 I39 M42 Y73 R568	I30-I35 HydrophobicContact CB-CD1 4.22Å; I30-I35 HydrophobicContact CG1-CD1 4.35Å; I30-I35 HydrophobicContact CG2-CD1 3.83Å; G33-I35 VanDerWaalsContact C-N 3.26Å; G33-I35 PolarHBondContact O-N 2.85Å; I35-E37 PolarHBondContact O-N 3.24Å; I35-A38 WeakPolarHBondContact O-CB 3.42Å; I35-A38 PolarHBondContact O-N 3.38Å; I35-I39 HydrophobicContact CG2-CD1 4.32Å; I35-I39 HydrophobicContact CG2-CG1 4.47Å; I35-I39 WeakPolarHBondContact O-CG1 3.31Å; I35-I39 PolarHBondContact O-N 3.34Å; I35-M42 HydrophobicContact CG2-CE 4.31Å; I35-Y73 HydrophobicContact CD1-CD1 4Å; I35-Y73 HydrophobicContact CD1-CE1 3.73Å; I35-Y73 HydrophobicContact CG1-CD1 4.37Å; I35-Y73 HydrophobicContact CG1-CE1 4.41Å; I35-Y73 HydrophobicContact CG2-CD1 3.77Å; I35-Y73 HydrophobicContact CG2-CG 4.14Å; I35-R568 HydrophobicContact CG1-CG 4.21Å
36	K	91.6	Very high	91.4	Very high	127 Å²	127	21.8 Å²	21.8	55%	0.552	11%	0.113	S	C	*	.	H	α-helix	trans	-62.3	-44.5	-178	-71.5	175.8	170.9	156.5	0	111.9	A38 P40 E572	K36-A38 VanDerWaalsContact C-N 3.33Å; K36-P40 WeakPolarHBondContact O-CD 3.15Å; K36-E572 HydrophobicContact CD-CG 4.46Å; K36-E572 WeakPolarHBondContact CE-OE1 3.17Å; K36-E572 IonicContact NZ-OE1 3.09Å; K36-E572 PolarHBondContact NZ-OE1 3.23Å
37	E	92.2	Very high	91.7	Very high	48 Å²	48	24.1 Å²	24.1	22%	0.224	13%	0.132	C	C	.	.	H	α-helix	trans	-64.5	-35.2	171.9	-69	76.1	-177.6	0	0	112.3	Y34 I35 P40 K585 A588	Y34-E37 WeakPolarHBondContact CB-OE2 3.39Å; I35-E37 PolarHBondContact O-N 3.24Å; E37-P40 WeakPolarHBondContact O-CD 3.3Å; E37-K585 HydrophobicContact CG-CD 4.49Å; E37-K585 HydrophobicContact CG-CG 3.68Å; E37-K585 WeakPolarHBondContact OE1-CE 3.29Å; E37-K585 IonicContact OE1-NZ 2.72Å; E37-A588 HydrophobicContact CB-CB 3.91Å; E37-A588 VanDerWaalsContact O-CB 3.24Å; E37-A588 WeakPolarHBondContact O-CB 3.39Å
38	A	92.8	Very high	92.1	Very high	3 Å²	3	23 Å²	23	3%	0.025	13%	0.128	C	C	.	.	H	α-helix	trans	-72.5	-31.1	-179.5	0	0	0	0	0	113.8	A29 I30 Y34 I35 K36 G41 M42	A29-A38 HydrophobicContact CB-CB 4.03Å; I30-A38 HydrophobicContact CG1-CB 3.93Å; Y34-A38 WeakPolarHBondContact O-CB 3.44Å; Y34-A38 PolarHBondContact O-N 2.76Å; I35-A38 WeakPolarHBondContact O-CB 3.42Å; I35-A38 PolarHBondContact O-N 3.38Å; K36-A38 VanDerWaalsContact C-N 3.33Å; A38-G41 WeakPolarHBondContact O-CA 3.43Å; A38-G41 PolarHBondContact O-N 3.04Å; A38-M42 HydrophobicContact CB-CE 3.56Å; A38-M42 WeakPolarHBondContact O-CG 3.1Å; A38-M42 PolarHBondContact O-N 3.14Å
39	I	95.2	Very high	92.6	Very high	29 Å²	29	21.5 Å²	21.5	15%	0.149	12%	0.117	C	C	.	.	H	α-helix	trans	-51.2	-48.1	-173.2	-81.3	166.3	0	0	0	114	I35 G41 M42 K43 L74	I35-I39 HydrophobicContact CG2-CD1 4.32Å; I35-I39 HydrophobicContact CG2-CG1 4.47Å; I35-I39 WeakPolarHBondContact O-CG1 3.31Å; I35-I39 PolarHBondContact O-N 3.34Å; I39-G41 VanDerWaalsContact C-N 3.26Å; I39-G41 PolarHBondContact O-N 2.91Å; I39-M42 HydrophobicContact CG1-CE 4.13Å; I39-M42 WeakPolarHBondContact O-CB 3.44Å; I39-M42 PolarHBondContact O-N 3.29Å; I39-K43 HydrophobicContact CG2-CD 4.16Å; I39-K43 HydrophobicContact CG2-CG 4.41Å; I39-K43 WeakPolarHBondContact O-CG 3.34Å; I39-K43 PolarHBondContact O-N 2.94Å; I39-L74 HydrophobicContact CG1-CD2 4.17Å; I39-L74 HydrophobicContact CG2-CD2 3.94Å
40	P	94.2	Very high	92.9	Very high	61 Å²	61	24.4 Å²	24.4	40%	0.396	13%	0.13	S	C	.	.	H	α-helix	trans	-57.7	-35.7	176.3	-28.2	37	0	0	0	113.9	K36 E37 N44	K36-P40 WeakPolarHBondContact O-CD 3.15Å; E37-P40 WeakPolarHBondContact O-CD 3.3Å; P40-N44 PolarHBondContact O-N 2.91Å; P40-N44 VanDerWaalsContact O-N 3.08Å
41	G	92.9	Very high	92.9	Very high	1 Å²	1	29 Å²	29	1%	0.01	16%	0.155	C	C	.	.	H	α-helix	trans	-69.8	-38.1	172.8	0	0	0	0	0	113.1	A38 I39 N44 L45	A38-G41 WeakPolarHBondContact O-CA 3.43Å; A38-G41 PolarHBondContact O-N 3.04Å; I39-G41 VanDerWaalsContact C-N 3.26Å; I39-G41 PolarHBondContact O-N 2.91Å; G41-N44 PolarHBondContact O-N 3.17Å; G41-L45 PolarHBondContact O-N 3.15Å
42	M	95.3	Very high	93.1	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-61.6	-46.4	173.4	-54	-172.2	-147.8	0	0	110.9	I30 I35 A38 I39 L45 I46 Y70 Y73	I30-M42 HydrophobicContact CD1-CE 3.8Å; I30-M42 HydrophobicContact CD1-SD 4.44Å; I30-M42 HydrophobicContact CG1-CE 3.85Å; I35-M42 HydrophobicContact CG2-CE 4.31Å; A38-M42 HydrophobicContact CB-CE 3.56Å; A38-M42 WeakPolarHBondContact O-CG 3.1Å; A38-M42 PolarHBondContact O-N 3.14Å; I39-M42 HydrophobicContact CG1-CE 4.13Å; I39-M42 WeakPolarHBondContact O-CB 3.44Å; I39-M42 PolarHBondContact O-N 3.29Å; M42-L45 PolarHBondContact O-N 3.49Å; M42-I46 VanDerWaalsContact O-CG1 3.3Å; M42-I46 WeakPolarHBondContact O-CG1 3.46Å; M42-I46 PolarHBondContact O-N 3.13Å; M42-Y70 HydrophobicContact CB-CD1 4.36Å; M42-Y70 HydrophobicContact CB-CD2 4.13Å; M42-Y70 HydrophobicContact CB-CE1 4.08Å; M42-Y70 HydrophobicContact CB-CE2 3.82Å; M42-Y70 HydrophobicContact CB-CG 4.38Å; M42-Y70 HydrophobicContact CG-CD1 4.03Å; M42-Y70 HydrophobicContact CG-CE1 3.59Å; M42-Y70 HydrophobicContact CG-CE2 4.25Å; M42-Y70 HydrophobicContact SD-CD1 3.56Å; M42-Y70 VanDerWaalsContact SD-CD1 3.56Å; M42-Y70 HydrophobicContact SD-CE1 3.67Å; M42-Y70 HydrophobicContact SD-CG 4.17Å; M42-Y73 HydrophobicContact CE-CD2 4.23Å; M42-Y73 HydrophobicContact CE-CG 4.28Å; M42-Y73 HydrophobicContact SD-CD2 4.25Å
43	K	95.6	Very high	93.3	Very high	40 Å²	40	37.4 Å²	37.4	17%	0.174	20%	0.2	C	C	.	.	H	α-helix	trans	-62.3	-42.9	178.8	-69.9	-177.6	179.5	175.7	0	112.5	I39 L45 I46 A47 L74 E77 W80	I39-K43 HydrophobicContact CG2-CD 4.16Å; I39-K43 HydrophobicContact CG2-CG 4.41Å; I39-K43 WeakPolarHBondContact O-CG 3.34Å; I39-K43 PolarHBondContact O-N 2.94Å; K43-L45 VanDerWaalsContact C-N 3.35Å; K43-L45 PolarHBondContact O-N 3.43Å; K43-I46 PolarHBondContact O-N 3.33Å; K43-A47 WeakPolarHBondContact O-CB 3.44Å; K43-A47 PolarHBondContact O-N 2.79Å; K43-L74 HydrophobicContact CG-CD2 4.4Å; K43-E77 WeakPolarHBondContact CE-OE1 3.26Å; K43-E77 IonicContact NZ-OE1 2.62Å; K43-E77 PolarHBondContact NZ-OE1 3.06Å; K43-E77 IonicContact NZ-OE2 3.91Å; K43-E77 PolarHBondContact NZ-OE2 3.02Å; K43-W80 HydrophobicContact CB-CD2 4.49Å; K43-W80 HydrophobicContact CB-CE3 4.15Å; K43-W80 HydrophobicContact CB-CH2 3.78Å; K43-W80 HydrophobicContact CB-CZ2 4.16Å; K43-W80 HydrophobicContact CB-CZ3 3.78Å; K43-W80 HydrophobicContact CD-CD2 3.88Å; K43-W80 HydrophobicContact CD-CE3 4.35Å; K43-W80 HydrophobicContact CD-CG 4.24Å; K43-W80 HydrophobicContact CD-CH2 4.43Å; K43-W80 HydrophobicContact CD-CZ2 3.98Å; K43-W80 HydrophobicContact CG-CD2 3.77Å; K43-W80 HydrophobicContact CG-CE3 3.75Å; K43-W80 HydrophobicContact CG-CG 4.37Å; K43-W80 HydrophobicContact CG-CH2 4.13Å; K43-W80 HydrophobicContact CG-CZ2 4.16Å; K43-W80 HydrophobicContact CG-CZ3 3.93Å
44	N	94.2	Very high	93.5	Very high	28 Å²	28	41.6 Å²	41.6	15%	0.15	22%	0.222	C	C	.	.	H	α-helix	trans	-60.8	-43	173.3	178.8	70.4	0	0	0	111.8	K21 P40 G41 A47 A48 P594	K21-N44 PolarHBondContact O-ND2 3.39Å; K21-N44 VanDerWaalsContact O-ND2 3.09Å; P40-N44 PolarHBondContact O-N 2.91Å; P40-N44 VanDerWaalsContact O-N 3.08Å; G41-N44 PolarHBondContact O-N 3.17Å; N44-A47 PolarHBondContact O-N 3.09Å; N44-A48 WeakPolarHBondContact O-CB 3.33Å; N44-A48 PolarHBondContact O-N 3.23Å; N44-P594 WeakPolarHBondContact OD1-CD 3.26Å; N44-P594 WeakPolarHBondContact OD1-CG 3.36Å
45	L	95.1	Very high	93.6	Very high	10 Å²	10	44.8 Å²	44.8	5%	0.052	24%	0.243	C	C	.	.	H	α-helix	trans	-68.5	-39.5	177.8	-176.5	59.8	0	0	0	112.4	Q22 C25 G41 M42 K43 A48 L49 V67 Y70	Q22-L45 HydrophobicContact CB-CD1 3.78Å; C25-L45 HydrophobicContact CB-CD2 4.17Å; G41-L45 PolarHBondContact O-N 3.15Å; M42-L45 PolarHBondContact O-N 3.49Å; K43-L45 VanDerWaalsContact C-N 3.35Å; K43-L45 PolarHBondContact O-N 3.43Å; L45-A48 PolarHBondContact O-N 2.84Å; L45-L49 HydrophobicContact CD1-CD1 4.01Å; L45-L49 HydrophobicContact CD1-CG 4.08Å; L45-L49 HydrophobicContact CG-CD1 3.89Å; L45-L49 HydrophobicContact CG-CG 4.38Å; L45-L49 WeakPolarHBondContact O-CB 3.5Å; L45-L49 VanDerWaalsContact O-CG 3.25Å; L45-L49 WeakPolarHBondContact O-CG 3.45Å; L45-L49 PolarHBondContact O-N 3.37Å; L45-V67 HydrophobicContact CD2-CG2 4Å; L45-Y70 HydrophobicContact CD2-CE2 4.38Å
46	I	96.1	Very high	93.8	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-56.5	-53.7	172.9	-71.3	161.4	0	0	0	109.8	M42 K43 A48 L49 E50 Y70 L74 W80 R83 A84 V87	M42-I46 VanDerWaalsContact O-CG1 3.3Å; M42-I46 WeakPolarHBondContact O-CG1 3.46Å; M42-I46 PolarHBondContact O-N 3.13Å; K43-I46 PolarHBondContact O-N 3.33Å; I46-A48 PolarHBondContact O-N 3.35Å; I46-L49 PolarHBondContact O-N 3.12Å; I46-E50 HydrophobicContact CG2-CG 4.35Å; I46-E50 WeakPolarHBondContact O-CG 3.24Å; I46-E50 PolarHBondContact O-N 3.42Å; I46-Y70 HydrophobicContact CD1-CD2 3.86Å; I46-Y70 HydrophobicContact CG1-CD2 3.82Å; I46-Y70 HydrophobicContact CG1-CE2 4.22Å; I46-L74 HydrophobicContact CD1-CD1 3.51Å; I46-W80 HydrophobicContact CB-CZ3 4.16Å; I46-W80 HydrophobicContact CD1-CE3 4.3Å; I46-W80 HydrophobicContact CG2-CE3 4.2Å; I46-W80 HydrophobicContact CG2-CZ3 3.9Å; I46-R83 HydrophobicContact CG2-CB 4.07Å; I46-A84 HydrophobicContact CD1-CB 3.82Å; I46-V87 HydrophobicContact CG2-CG2 4.2Å
47	A	95	Very high	93.9	Very high	50 Å²	50	41.4 Å²	41.4	41%	0.413	23%	0.23	S	C	.	.	H	α-helix	trans	-64.5	-22.6	180	0	0	0	0	0	114.1	K43 N44 E50	K43-A47 WeakPolarHBondContact O-CB 3.44Å; K43-A47 PolarHBondContact O-N 2.79Å; N44-A47 PolarHBondContact O-N 3.09Å; A47-E50 WeakPolarHBondContact CA-OE2 3.42Å
48	A	93.6	Very high	93.8	Very high	4 Å²	4	40.1 Å²	40.1	3%	0.033	23%	0.227	C	C	.	.	H	α-helix	trans	-82.2	-20.9	172.1	0	0	0	0	0	113.4	P19 K21 Q22 N44 L45 I46	P19-A48 WeakPolarHBondContact CB-O 3.35Å; P19-A48 VanDerWaalsContact CG-O 3.28Å; P19-A48 WeakPolarHBondContact CG-O 3.44Å; K21-A48 HydrophobicContact CB-CB 3.88Å; Q22-A48 HydrophobicContact CB-CB 4.31Å; N44-A48 WeakPolarHBondContact O-CB 3.33Å; N44-A48 PolarHBondContact O-N 3.23Å; L45-A48 PolarHBondContact O-N 2.84Å; I46-A48 PolarHBondContact O-N 3.35Å
49	L	94.7	Very high	93.5	Very high	22 Å²	22	41.4 Å²	41.4	12%	0.115	24%	0.235	C	C	.	.	H	α-helix	trans	-95.8	-13.8	178.6	-68.3	175.7	0	0	0	113.2	L45 I46 D51 I56 V87 R90	L45-L49 HydrophobicContact CD1-CD1 4.01Å; L45-L49 HydrophobicContact CD1-CG 4.08Å; L45-L49 HydrophobicContact CG-CD1 3.89Å; L45-L49 HydrophobicContact CG-CG 4.38Å; L45-L49 WeakPolarHBondContact O-CB 3.5Å; L45-L49 VanDerWaalsContact O-CG 3.25Å; L45-L49 WeakPolarHBondContact O-CG 3.45Å; L45-L49 PolarHBondContact O-N 3.37Å; I46-L49 PolarHBondContact O-N 3.12Å; L49-D51 PolarHBondContact O-N 3Å; L49-I56 HydrophobicContact CB-CD1 3.98Å; L49-I56 HydrophobicContact CD1-CD1 4.5Å; L49-I56 HydrophobicContact CD1-CG2 4.2Å; L49-I56 HydrophobicContact CD2-CG2 3.7Å; L49-I56 HydrophobicContact CG-CG2 4.47Å; L49-V87 HydrophobicContact CB-CG1 4.28Å; L49-V87 HydrophobicContact CB-CG2 4.43Å; L49-V87 HydrophobicContact CD1-CG1 3.87Å; L49-R90 PolarHBondContact O-NH2 2.93Å
50	E	94.5	Very high	93	Very high	63 Å²	63	40.5 Å²	40.5	29%	0.294	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.9	8.9	171.1	-69.7	171.1	134.7	0	0	113.5	I46 A47 N52 R83 V87	I46-E50 HydrophobicContact CG2-CG 4.35Å; I46-E50 WeakPolarHBondContact O-CG 3.24Å; I46-E50 PolarHBondContact O-N 3.42Å; A47-E50 WeakPolarHBondContact CA-OE2 3.42Å; E50-N52 PolarHBondContact O-N 2.77Å; E50-R83 VanDerWaalsContact OE1-CB 3.29Å; E50-R83 WeakPolarHBondContact OE1-CB 3.42Å; E50-R83 VanDerWaalsContact OE1-CG 3.29Å; E50-R83 WeakPolarHBondContact OE1-CG 3.4Å; E50-R83 IonicContact OE1-CZ 2.77Å; E50-R83 IonicContact OE1-NE 3.78Å; E50-R83 PolarHBondContact OE1-NE 3.26Å; E50-R83 IonicContact OE1-NH2 2.68Å; E50-R83 IonicContact OE2-CZ 3.62Å; E50-R83 IonicContact OE2-NE 2.77Å; E50-R83 PolarHBondContact OE2-NE 3.05Å; E50-R83 IonicContact OE2-NH2 3.35Å; E50-R83 PolarHBondContact OE2-NH2 2.85Å; E50-V87 HydrophobicContact CG-CG2 4.06Å
51	D	89.6	Confident	92.6	Very high	101 Å²	101	37.6 Å²	37.6	54%	0.54	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-25.9	179.1	-168.9	66.5	0	0	0	113.4	N17 L49	N17-D51 PolarHBondContact ND2-OD2 3.18Å; L49-D51 PolarHBondContact O-N 3Å
52	N	90.9	Very high	92	Very high	53 Å²	53	38.2 Å²	38.2	28%	0.283	22%	0.216	S	C	.	.	S	Bend	trans	-153.5	-173.7	170.4	67.2	26.3	0	0	0	109.9	N17 E50 D54 R90	N17-N52 PolarHBondContact ND2-ND2 2.86Å; E50-N52 PolarHBondContact O-N 2.77Å; N52-D54 VanDerWaalsContact CG-OD2 3.25Å; N52-D54 PolarHBondContact ND2-OD2 2.81Å; N52-D54 WeakPolarHBondContact OD1-CB 3.28Å; N52-D54 PolarHBondContact OD1-N 3.06Å; N52-R90 PolarHBondContact O-NH1 3.11Å; N52-R90 PolarHBondContact O-NH2 2.78Å
53	D	91.2	Very high	91.8	Very high	137 Å²	137	40 Å²	40	73%	0.733	23%	0.229	S	C	*	.	S	Bend	trans	-103.8	12.3	177.3	-89.3	-43.9	0	0	0	116	R90	D53-R90 VanDerWaalsContact C-CZ 3.41Å; D53-R90 VanDerWaalsContact CA-CZ 3.41Å; D53-R90 PolarHBondContact O-NE 3.24Å; D53-R90 IonicContact OD1-CZ 3.77Å; D53-R90 IonicContact OD1-NH1 3Å; D53-R90 PolarHBondContact OD1-NH1 3.41Å
54	D	94	Very high	91.6	Very high	88 Å²	88	38.2 Å²	38.2	47%	0.471	22%	0.221	S	C	.	.	S	Bend	trans	-70.2	161.7	-176.6	-64.8	-38.7	0	0	0	113.5	N52 I56 R90	N52-D54 VanDerWaalsContact CG-OD2 3.25Å; N52-D54 PolarHBondContact ND2-OD2 2.81Å; N52-D54 WeakPolarHBondContact OD1-CB 3.28Å; N52-D54 PolarHBondContact OD1-N 3.06Å; D54-I56 PolarHBondContact O-N 3.26Å; D54-R90 VanDerWaalsContact O-CZ 3.29Å; D54-R90 PolarHBondContact O-NE 3.19Å; D54-R90 PolarHBondContact O-NH2 2.85Å
55	P	95.1	Very high	91.5	Very high	69 Å²	69	39.6 Å²	39.6	45%	0.448	23%	0.225	S	C	.	.			trans	-55.2	127	169.3	-26.2	36.2	0	0	0	112.6	I57 F97	P55-I57 HydrophobicContact CB-CD1 3.91Å; P55-F97 HydrophobicContact CB-CD2 4.37Å; P55-F97 HydrophobicContact CB-CE2 3.76Å; P55-F97 HydrophobicContact CB-CZ 4.36Å; P55-F97 HydrophobicContact CG-CE2 4.04Å
56	I	95.7	Very high	91.4	Very high	18 Å²	18	39.3 Å²	39.3	9%	0.092	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	108	-177.1	-56.3	162.4	0	0	0	108.7	L49 D54 V87 R90 M91 Q92	L49-I56 HydrophobicContact CB-CD1 3.98Å; L49-I56 HydrophobicContact CD1-CD1 4.5Å; L49-I56 HydrophobicContact CD1-CG2 4.2Å; L49-I56 HydrophobicContact CD2-CG2 3.7Å; L49-I56 HydrophobicContact CG-CG2 4.47Å; D54-I56 PolarHBondContact O-N 3.26Å; I56-V87 HydrophobicContact CD1-CB 4.46Å; I56-V87 HydrophobicContact CD1-CG1 3.94Å; I56-R90 HydrophobicContact CD1-CB 3.9Å; I56-R90 HydrophobicContact CG1-CB 4.14Å; I56-R90 PolarHBondContact N-O 3.36Å; I56-M91 HydrophobicContact CB-SD 4.09Å; I56-M91 HydrophobicContact CG2-SD 3.52Å; I56-M91 VanDerWaalsContact CG2-SD 3.52Å; I56-M91 CarbonylContact O-C 3.56Å; I56-M91 WeakPolarHBondContact O-CA 3.47Å; I56-Q92 PolarHBondContact O-N 3.34Å
57	I	94.1	Very high	91.3	Very high	45 Å²	45	39.4 Å²	39.4	23%	0.231	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	132.8	-172.6	-46.5	-51.3	0	0	0	111	L9 P55 Q92 L94 F97	L9-I57 HydrophobicContact CD1-CB 4.43Å; L9-I57 HydrophobicContact CD1-CG2 4.31Å; P55-I57 HydrophobicContact CB-CD1 3.91Å; I57-Q92 HydrophobicContact CD1-CB 4.07Å; I57-L94 HydrophobicContact CG2-CB 4.09Å; I57-L94 HydrophobicContact CG2-CD1 3.82Å; I57-F97 HydrophobicContact CD1-CB 3.83Å; I57-F97 HydrophobicContact CD1-CD1 3.73Å; I57-F97 HydrophobicContact CD1-CD2 3.45Å; I57-F97 VanDerWaalsContact CD1-CD2 3.45Å; I57-F97 HydrophobicContact CD1-CE1 4.11Å; I57-F97 HydrophobicContact CD1-CE2 3.87Å; I57-F97 HydrophobicContact CD1-CG 3.37Å; I57-F97 HydrophobicContact CD1-CZ 4.18Å; I57-F97 HydrophobicContact CG1-CD1 4.04Å; I57-F97 HydrophobicContact CG1-CE1 4.25Å; I57-F97 HydrophobicContact CG1-CG 4.19Å
58	S	90.9	Very high	91.4	Very high	21 Å²	21	41.1 Å²	41.1	15%	0.147	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	133.2	167.8	-163	0	0	0	0	111.5	A60 Q92 D93 L94	S58-A60 PolarHBondContact O-N 3.29Å; S58-Q92 PolarHBondContact N-O 3.05Å; S58-D93 WeakPolarHBondContact O-CA 3.5Å; S58-L94 PolarHBondContact O-N 3.42Å; S58-L94 VanDerWaalsContact O-N 3.14Å
59	P	86.4	Confident	91.4	Very high	30 Å²	30	41.6 Å²	41.6	20%	0.195	23%	0.225	C	C	.	.	S	Bend	trans	-76.9	-0.1	174.8	32.4	-36.2	0	0	0	113.8	M1 S5 L94	M1-P59 HydrophobicContact CE-CG 4.2Å; M1-P59 HydrophobicContact CG-CB 3.93Å; M1-P59 HydrophobicContact CG-CG 3.85Å; M1-P59 HydrophobicContact SD-CB 4.16Å; M1-P59 HydrophobicContact SD-CG 4.28Å; S5-P59 WeakPolarHBondContact OG-CB 3.47Å; P59-L94 HydrophobicContact CB-CB 4.27Å; P59-L94 HydrophobicContact CB-CD2 3.98Å
60	A	84.2	Confident	91.5	Very high	9 Å²	9	40.6 Å²	40.6	7%	0.074	22%	0.22	C	C	.	.			trans	-115.4	100.9	-178.6	0	0	0	0	0	109.7	M1 S58 S62 C63 T64	M1-A60 HydrophobicContact CE-CB 4.15Å; S58-A60 PolarHBondContact O-N 3.29Å; A60-S62 PolarHBondContact O-N 3.21Å; A60-C63 HydrophobicContact CB-CB 4.19Å; A60-C63 WeakPolarHBondContact O-CA 3.41Å; A60-C63 WeakPolarHBondContact O-CB 3.36Å; A60-C63 PolarHBondContact O-N 3.24Å; A60-T64 PolarHBondContact O-N 3Å; A60-T64 PolarHBondContact O-OG1 2.86Å
61	G	84.7	Confident	91.5	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-54.7	-25.5	175.8	0	0	0	0	0	113.7	Y65 L127	G61-Y65 VanDerWaalsContact O-CB 3.3Å; G61-Y65 WeakPolarHBondContact O-CB 3.5Å; G61-Y65 PolarHBondContact O-N 3.23Å; G61-L127 WeakPolarHBondContact O-CD1 3.39Å
62	S	82	Confident	91.7	Very high	14 Å²	14	40.1 Å²	40.1	10%	0.098	22%	0.219	C	C	.	.	H	α-helix	trans	-58.5	-48.2	168.5	44	0	0	0	0	112.6	Q27 A60 A66 D192	Q27-S62 PolarHBondContact NE2-O 2.92Å; A60-S62 PolarHBondContact O-N 3.21Å; S62-A66 PolarHBondContact O-N 3.25Å; S62-D192 PolarHBondContact OG-OD1 2.99Å
63	C	89.6	Confident	91.8	Very high	38 Å²	38	38.8 Å²	38.8	26%	0.257	21%	0.21	S	C	.	.	H	α-helix	trans	-70.8	-44	174.4	-67.8	0	0	0	0	112.6	C25 A60 Y65 A66 V67	C25-C63 HydrophobicContact CB-CB 4.46Å; C25-C63 VanDerWaalsContact SG-SG 3.61Å; A60-C63 HydrophobicContact CB-CB 4.19Å; A60-C63 WeakPolarHBondContact O-CA 3.41Å; A60-C63 WeakPolarHBondContact O-CB 3.36Å; A60-C63 PolarHBondContact O-N 3.24Å; C63-Y65 VanDerWaalsContact C-N 3.32Å; C63-Y65 PolarHBondContact O-N 3.49Å; C63-A66 WeakPolarHBondContact O-CB 3.39Å; C63-A66 PolarHBondContact O-N 2.87Å; C63-A66 VanDerWaalsContact O-N 3.12Å; C63-V67 PolarHBondContact O-N 3.07Å
64	T	92.8	Very high	92	Very high	2 Å²	2	32.3 Å²	32.3	1%	0.012	18%	0.176	C	C	.	.	H	α-helix	trans	-55.5	-46.3	176.8	-58.1	0	0	0	0	111.4	A60 K68 M91 L127	A60-T64 PolarHBondContact O-N 3Å; A60-T64 PolarHBondContact O-OG1 2.86Å; T64-K68 WeakPolarHBondContact O-CB 3.38Å; T64-K68 WeakPolarHBondContact O-CG 3.41Å; T64-K68 PolarHBondContact O-N 2.66Å; T64-M91 HydrophobicContact CG2-CG 4.1Å; T64-L127 HydrophobicContact CG2-CD1 3.62Å; T64-L127 HydrophobicContact CG2-CD2 4.1Å
65	Y	91.4	Very high	91.9	Very high	58 Å²	58	31 Å²	31	23%	0.227	18%	0.177	C	C	.	.	H	α-helix	trans	-66.3	-38.9	175.7	-179.7	-101.6	0	0	0	113.3	G61 C63 K68 S69 K126 L127	G61-Y65 VanDerWaalsContact O-CB 3.3Å; G61-Y65 WeakPolarHBondContact O-CB 3.5Å; G61-Y65 PolarHBondContact O-N 3.23Å; C63-Y65 VanDerWaalsContact C-N 3.32Å; C63-Y65 PolarHBondContact O-N 3.49Å; Y65-K68 PolarHBondContact O-N 2.68Å; Y65-S69 WeakPolarHBondContact O-CB 3.47Å; Y65-S69 PolarHBondContact O-N 3.17Å; Y65-S69 VanDerWaalsContact O-N 3.1Å; Y65-S69 PolarHBondContact O-OG 3.47Å; Y65-K126 HydrophobicContact CD1-CB 4.45Å; Y65-K126 HydrophobicContact CD1-CD 3.65Å; Y65-K126 HydrophobicContact CD2-CB 3.48Å; Y65-K126 VanDerWaalsContact CD2-CB 3.48Å; Y65-K126 HydrophobicContact CD2-CD 4.19Å; Y65-K126 HydrophobicContact CD2-CG 4.47Å; Y65-K126 HydrophobicContact CE1-CD 3.72Å; Y65-K126 HydrophobicContact CE2-CB 3.7Å; Y65-K126 HydrophobicContact CE2-CD 4.26Å; Y65-K126 HydrophobicContact CE2-CG 4.49Å; Y65-K126 HydrophobicContact CG-CB 3.88Å; Y65-K126 HydrophobicContact CG-CD 3.89Å; Y65-L127 HydrophobicContact CD2-CD2 4.33Å
66	A	92.3	Very high	91.7	Very high	4 Å²	4	34.7 Å²	34.7	3%	0.033	19%	0.193	C	C	.	.	H	α-helix	trans	-60.5	-51.3	178.1	0	0	0	0	0	111.6	C25 Q27 S62 C63 S69 Y70	C25-A66 HydrophobicContact CB-CB 3.99Å; Q27-A66 HydrophobicContact CB-CB 4.13Å; S62-A66 PolarHBondContact O-N 3.25Å; C63-A66 WeakPolarHBondContact O-CB 3.39Å; C63-A66 PolarHBondContact O-N 2.87Å; C63-A66 VanDerWaalsContact O-N 3.12Å; A66-S69 WeakPolarHBondContact O-CB 3.46Å; A66-S69 PolarHBondContact O-N 3.42Å; A66-S69 VanDerWaalsContact O-N 3.08Å; A66-Y70 WeakPolarHBondContact O-CD1 3.38Å; A66-Y70 WeakPolarHBondContact O-CE1 3.15Å; A66-Y70 PolarHBondContact O-N 3.15Å
67	V	95.2	Very high	91.7	Very high	2 Å²	2	37.1 Å²	37.1	1%	0.012	20%	0.204	C	C	.	.	H	α-helix	trans	-64.9	-40.9	179.7	176.8	0	0	0	0	111.2	C25 L45 C63 S69 Y70 V87 M91	C25-V67 HydrophobicContact CB-CG2 4.28Å; L45-V67 HydrophobicContact CD2-CG2 4Å; C63-V67 PolarHBondContact O-N 3.07Å; V67-S69 PolarHBondContact O-N 2.86Å; V67-S69 VanDerWaalsContact O-N 3.16Å; V67-Y70 HydrophobicContact CB-CE2 4.4Å; V67-Y70 HydrophobicContact CG1-CD2 4.22Å; V67-Y70 HydrophobicContact CG1-CE2 4.33Å; V67-Y70 HydrophobicContact CG2-CE2 4.09Å; V67-Y70 VanDerWaalsContact O-CB 3.3Å; V67-Y70 WeakPolarHBondContact O-CB 3.45Å; V67-Y70 PolarHBondContact O-N 3.1Å; V67-V87 HydrophobicContact CG1-CG1 3.63Å; V67-M91 HydrophobicContact CB-CE 4.13Å; V67-M91 HydrophobicContact CB-CG 4.19Å; V67-M91 HydrophobicContact CB-SD 4.13Å; V67-M91 HydrophobicContact CG1-CB 4.45Å; V67-M91 HydrophobicContact CG1-CG 4.13Å; V67-M91 HydrophobicContact CG1-SD 3.96Å; V67-M91 HydrophobicContact CG2-CE 4.06Å; V67-M91 HydrophobicContact CG2-SD 4.46Å
68	K	95.8	Very high	91.6	Very high	86 Å²	86	39.9 Å²	39.9	37%	0.374	23%	0.225	S	C	.	.	H	α-helix	trans	-62.5	-20	173.4	-73.5	-162.4	-178.1	-156.6	0	114.4	T64 Y65 A88 M91 L127	T64-K68 WeakPolarHBondContact O-CB 3.38Å; T64-K68 WeakPolarHBondContact O-CG 3.41Å; T64-K68 PolarHBondContact O-N 2.66Å; Y65-K68 PolarHBondContact O-N 2.68Å; K68-A88 HydrophobicContact CB-CB 4.49Å; K68-A88 VanDerWaalsContact CE-O 3.28Å; K68-A88 WeakPolarHBondContact CE-O 3.47Å; K68-A88 HydrophobicContact CG-CB 4.34Å; K68-M91 WeakPolarHBondContact CE-O 3.2Å; K68-M91 HydrophobicContact CG-CB 4.17Å; K68-M91 HydrophobicContact CG-CG 4.38Å; K68-M91 PolarHBondContact NZ-O 3.02Å; K68-L127 HydrophobicContact CD-CD2 4.1Å
69	S	93.8	Very high	91.9	Very high	14 Å²	14	44.5 Å²	44.5	10%	0.098	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-8.9	176.5	-55	0	0	0	0	113.6	Y65 A66 V67 P71 M72 Y73	Y65-S69 WeakPolarHBondContact O-CB 3.47Å; Y65-S69 PolarHBondContact O-N 3.17Å; Y65-S69 VanDerWaalsContact O-N 3.1Å; Y65-S69 PolarHBondContact O-OG 3.47Å; A66-S69 WeakPolarHBondContact O-CB 3.46Å; A66-S69 PolarHBondContact O-N 3.42Å; A66-S69 VanDerWaalsContact O-N 3.08Å; V67-S69 PolarHBondContact O-N 2.86Å; V67-S69 VanDerWaalsContact O-N 3.16Å; S69-P71 VanDerWaalsContact C-CD 3.44Å; S69-M72 WeakPolarHBondContact O-CB 3.38Å; S69-M72 PolarHBondContact O-N 3.03Å; S69-Y73 VanDerWaalsContact O-CD2 3.3Å; S69-Y73 WeakPolarHBondContact O-CD2 3.39Å
70	Y	96.6	Very high	92.5	Very high	1 Å²	1	45.4 Å²	45.4	0%	0.004	24%	0.244	C	C	.	.	H	α-helix	trans	-56.9	-38.7	-176.6	-72.5	-1.5	0	0	0	115.4	C25 I30 M42 L45 I46 A66 V67 M72 Y73 L74	C25-Y70 VanDerWaalsContact CA-OH 3.23Å; C25-Y70 WeakPolarHBondContact CA-OH 3.49Å; C25-Y70 PolarHBondContact O-OH 3.21Å; I30-Y70 HydrophobicContact CD1-CE1 4.34Å; M42-Y70 HydrophobicContact CB-CD1 4.36Å; M42-Y70 HydrophobicContact CB-CD2 4.13Å; M42-Y70 HydrophobicContact CB-CE1 4.08Å; M42-Y70 HydrophobicContact CB-CE2 3.82Å; M42-Y70 HydrophobicContact CB-CG 4.38Å; M42-Y70 HydrophobicContact CG-CD1 4.03Å; M42-Y70 HydrophobicContact CG-CE1 3.59Å; M42-Y70 HydrophobicContact CG-CE2 4.25Å; M42-Y70 HydrophobicContact SD-CD1 3.56Å; M42-Y70 VanDerWaalsContact SD-CD1 3.56Å; M42-Y70 HydrophobicContact SD-CE1 3.67Å; M42-Y70 HydrophobicContact SD-CG 4.17Å; L45-Y70 HydrophobicContact CD2-CE2 4.38Å; I46-Y70 HydrophobicContact CD1-CD2 3.86Å; I46-Y70 HydrophobicContact CG1-CD2 3.82Å; I46-Y70 HydrophobicContact CG1-CE2 4.22Å; A66-Y70 WeakPolarHBondContact O-CD1 3.38Å; A66-Y70 WeakPolarHBondContact O-CE1 3.15Å; A66-Y70 PolarHBondContact O-N 3.15Å; V67-Y70 HydrophobicContact CB-CE2 4.4Å; V67-Y70 HydrophobicContact CG1-CD2 4.22Å; V67-Y70 HydrophobicContact CG1-CE2 4.33Å; V67-Y70 HydrophobicContact CG2-CE2 4.09Å; V67-Y70 VanDerWaalsContact O-CB 3.3Å; V67-Y70 WeakPolarHBondContact O-CB 3.45Å; V67-Y70 PolarHBondContact O-N 3.1Å; Y70-M72 PolarHBondContact O-N 3.42Å; Y70-Y73 PolarHBondContact O-N 3.27Å; Y70-L74 PolarHBondContact O-N 3Å
71	P	96.1	Very high	93	Very high	37 Å²	37	45.9 Å²	45.9	24%	0.24	25%	0.248	C	C	.	.	H	α-helix	trans	-57.5	-34.7	177.9	-25.4	35.1	0	0	0	113.2	S69 L74 A75 A84 A85 A88	S69-P71 VanDerWaalsContact C-CD 3.44Å; P71-L74 PolarHBondContact O-N 3.22Å; P71-A75 PolarHBondContact O-N 3.04Å; P71-A75 VanDerWaalsContact O-N 3.16Å; P71-A84 HydrophobicContact CG-CB 4.01Å; P71-A85 HydrophobicContact CB-CB 4.5Å; P71-A85 HydrophobicContact CG-CB 4.13Å; P71-A88 HydrophobicContact CG-CB 4.17Å
72	M	93	Very high	93.6	Very high	116 Å²	116	49 Å²	49	57%	0.571	27%	0.27	S	S	*	.	H	α-helix	trans	-71.6	-29.4	177.8	-172.1	-170.6	67.7	0	0	112.7	S69 Y70	S69-M72 WeakPolarHBondContact O-CB 3.38Å; S69-M72 PolarHBondContact O-N 3.03Å; Y70-M72 PolarHBondContact O-N 3.42Å
73	Y	92.7	Very high	94.4	Very high	25 Å²	25	51.1 Å²	51.1	10%	0.098	28%	0.275	C	S	.	.	H	α-helix	trans	-88.4	-13.7	178.1	-60.5	-54.7	0	0	0	113.6	I30 I35 M42 S69 Y70	I30-Y73 HydrophobicContact CD1-CE2 4.27Å; I30-Y73 HydrophobicContact CG2-CE1 4.47Å; I30-Y73 HydrophobicContact CG2-CE2 3.96Å; I30-Y73 WeakPolarHBondContact CG2-OH 3.46Å; I35-Y73 HydrophobicContact CD1-CD1 4Å; I35-Y73 HydrophobicContact CD1-CE1 3.73Å; I35-Y73 HydrophobicContact CG1-CD1 4.37Å; I35-Y73 HydrophobicContact CG1-CE1 4.41Å; I35-Y73 HydrophobicContact CG2-CD1 3.77Å; I35-Y73 HydrophobicContact CG2-CG 4.14Å; M42-Y73 HydrophobicContact CE-CD2 4.23Å; M42-Y73 HydrophobicContact CE-CG 4.28Å; M42-Y73 HydrophobicContact SD-CD2 4.25Å; S69-Y73 VanDerWaalsContact O-CD2 3.3Å; S69-Y73 WeakPolarHBondContact O-CD2 3.39Å; Y70-Y73 PolarHBondContact O-N 3.27Å
74	L	95.4	Very high	94.8	Very high	2 Å²	2	49.3 Å²	49.3	1%	0.01	26%	0.263	C	S	.	.	S	Bend	trans	-113.5	9.7	-179	-67.2	165.2	0	0	0	112.6	I39 K43 I46 Y70 P71 D76 E77 W80 A84	I39-L74 HydrophobicContact CG1-CD2 4.17Å; I39-L74 HydrophobicContact CG2-CD2 3.94Å; K43-L74 HydrophobicContact CG-CD2 4.4Å; I46-L74 HydrophobicContact CD1-CD1 3.51Å; Y70-L74 PolarHBondContact O-N 3Å; P71-L74 PolarHBondContact O-N 3.22Å; L74-D76 PolarHBondContact O-N 2.74Å; L74-D76 VanDerWaalsContact O-N 3.16Å; L74-E77 CarbonylContact O-C 3.59Å; L74-E77 WeakPolarHBondContact O-CA 3.5Å; L74-E77 PolarHBondContact O-N 3.26Å; L74-W80 HydrophobicContact CB-CB 4.33Å; L74-W80 HydrophobicContact CD1-CB 4.34Å; L74-W80 HydrophobicContact CD2-CB 4.27Å; L74-A84 HydrophobicContact CD1-CB 3.88Å
75	A	91.4	Very high	95	Very high	61 Å²	61	51.3 Å²	51.3	50%	0.504	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-31.1	-176.1	0	0	0	0	0	113.9	P71 E77	P71-A75 PolarHBondContact O-N 3.04Å; P71-A75 VanDerWaalsContact O-N 3.16Å; A75-E77 PolarHBondContact O-N 2.69Å
76	D	91.9	Very high	95.2	Very high	145 Å²	145	54.7 Å²	54.7	78%	0.775	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-8.7	175.8	-54.4	-41.3	0	0	0	113.2	L74	L74-D76 PolarHBondContact O-N 2.74Å; L74-D76 VanDerWaalsContact O-N 3.16Å
77	E	94.9	Very high	95.4	Very high	70 Å²	70	54.5 Å²	54.5	33%	0.327	30%	0.295	S	S	.	.	S	Bend	trans	-127.5	84.5	-179.7	-66.8	-172.3	-113	0	0	110.8	K43 L74 A75 E79 W80 A81	K43-E77 WeakPolarHBondContact CE-OE1 3.26Å; K43-E77 IonicContact NZ-OE1 2.62Å; K43-E77 PolarHBondContact NZ-OE1 3.06Å; K43-E77 IonicContact NZ-OE2 3.91Å; K43-E77 PolarHBondContact NZ-OE2 3.02Å; L74-E77 CarbonylContact O-C 3.59Å; L74-E77 WeakPolarHBondContact O-CA 3.5Å; L74-E77 PolarHBondContact O-N 3.26Å; A75-E77 PolarHBondContact O-N 2.69Å; E77-E79 VanDerWaalsContact C-N 3.31Å; E77-E79 PolarHBondContact O-N 2.83Å; E77-E79 VanDerWaalsContact O-N 3.08Å; E77-W80 HydrophobicContact CB-CB 4.09Å; E77-W80 CarbonylContact O-C 3.58Å; E77-W80 WeakPolarHBondContact O-CA 3.39Å; E77-W80 PolarHBondContact O-N 3.43Å; E77-W80 VanDerWaalsContact OE2-CD1 3.28Å; E77-A81 PolarHBondContact O-N 2.88Å
78	P	93.8	Very high	95.5	Very high	102 Å²	102	55.1 Å²	55.1	66%	0.662	30%	0.299	S	S	*	.	H	α-helix	trans	-55.3	-34.3	-165.8	-31.3	36.9	0	0	0	116.6	S82	P78-S82 WeakPolarHBondContact O-CB 3.18Å; P78-S82 PolarHBondContact O-N 3.2Å
79	E	97.1	Very high	95.5	Very high	119 Å²	119	54.7 Å²	54.7	56%	0.556	31%	0.312	S	S	*	.	H	α-helix	trans	-63.9	-49.5	173.9	-168.8	-145.2	124	0	0	111.2	E77 S82 R83	E77-E79 VanDerWaalsContact C-N 3.31Å; E77-E79 PolarHBondContact O-N 2.83Å; E77-E79 VanDerWaalsContact O-N 3.08Å; E79-S82 PolarHBondContact O-N 2.83Å; E79-R83 WeakPolarHBondContact O-CG 3.36Å; E79-R83 PolarHBondContact O-N 2.87Å; E79-R83 VanDerWaalsContact OE1-CD 3.24Å; E79-R83 WeakPolarHBondContact OE1-CD 3.43Å; E79-R83 IonicContact OE1-CZ 3.72Å; E79-R83 IonicContact OE1-NE 3.42Å; E79-R83 IonicContact OE1-NH1 3.85Å; E79-R83 PolarHBondContact OE1-NH1 3.32Å
80	W	97.5	Very high	95.6	Very high	48 Å²	48	55.8 Å²	55.8	18%	0.182	31%	0.314	C	S	.	.	H	α-helix	trans	-68.3	-33.6	178.1	-76.2	107.4	0	0	0	112.4	K43 I46 L74 E77 A84	K43-W80 HydrophobicContact CB-CD2 4.49Å; K43-W80 HydrophobicContact CB-CE3 4.15Å; K43-W80 HydrophobicContact CB-CH2 3.78Å; K43-W80 HydrophobicContact CB-CZ2 4.16Å; K43-W80 HydrophobicContact CB-CZ3 3.78Å; K43-W80 HydrophobicContact CD-CD2 3.88Å; K43-W80 HydrophobicContact CD-CE3 4.35Å; K43-W80 HydrophobicContact CD-CG 4.24Å; K43-W80 HydrophobicContact CD-CH2 4.43Å; K43-W80 HydrophobicContact CD-CZ2 3.98Å; K43-W80 HydrophobicContact CG-CD2 3.77Å; K43-W80 HydrophobicContact CG-CE3 3.75Å; K43-W80 HydrophobicContact CG-CG 4.37Å; K43-W80 HydrophobicContact CG-CH2 4.13Å; K43-W80 HydrophobicContact CG-CZ2 4.16Å; K43-W80 HydrophobicContact CG-CZ3 3.93Å; I46-W80 HydrophobicContact CB-CZ3 4.16Å; I46-W80 HydrophobicContact CD1-CE3 4.3Å; I46-W80 HydrophobicContact CG2-CE3 4.2Å; I46-W80 HydrophobicContact CG2-CZ3 3.9Å; L74-W80 HydrophobicContact CB-CB 4.33Å; L74-W80 HydrophobicContact CD1-CB 4.34Å; L74-W80 HydrophobicContact CD2-CB 4.27Å; E77-W80 HydrophobicContact CB-CB 4.09Å; E77-W80 CarbonylContact O-C 3.58Å; E77-W80 WeakPolarHBondContact O-CA 3.39Å; E77-W80 PolarHBondContact O-N 3.43Å; E77-W80 VanDerWaalsContact OE2-CD1 3.28Å; W80-A84 WeakPolarHBondContact O-CB 3.42Å; W80-A84 PolarHBondContact O-N 2.92Å
81	A	96.2	Very high	95.6	Very high	19 Å²	19	56.1 Å²	56.1	16%	0.157	32%	0.316	C	S	.	.	H	α-helix	trans	-61.2	-45.5	170.7	0	0	0	0	0	111.7	E77 A84 A85	E77-A81 PolarHBondContact O-N 2.88Å; A81-A84 PolarHBondContact O-N 2.98Å; A81-A85 WeakPolarHBondContact O-CB 3.44Å; A81-A85 PolarHBondContact O-N 3.49Å
82	S	97.1	Very high	95.5	Very high	66 Å²	66	55.9 Å²	55.9	46%	0.462	31%	0.312	S	S	.	.	H	α-helix	trans	-64.4	-45.1	177.8	-175.6	0	0	0	0	112.1	P78 E79 A85 K86	P78-S82 WeakPolarHBondContact O-CB 3.18Å; P78-S82 PolarHBondContact O-N 3.2Å; E79-S82 PolarHBondContact O-N 2.83Å; S82-A85 WeakPolarHBondContact O-CB 3.47Å; S82-A85 PolarHBondContact O-N 2.84Å; S82-K86 WeakPolarHBondContact O-CG 3.23Å; S82-K86 PolarHBondContact O-N 2.9Å
83	R	97.7	Very high	95.5	Very high	58 Å²	58	50.7 Å²	50.7	22%	0.219	29%	0.286	C	S	.	.	H	α-helix	trans	-62.6	-46.3	175.4	-71.5	171.7	67.4	-178.8	-1.8	112.1	I46 E50 E79 A85 K86 V87	I46-R83 HydrophobicContact CG2-CB 4.07Å; E50-R83 VanDerWaalsContact OE1-CB 3.29Å; E50-R83 WeakPolarHBondContact OE1-CB 3.42Å; E50-R83 VanDerWaalsContact OE1-CG 3.29Å; E50-R83 WeakPolarHBondContact OE1-CG 3.4Å; E50-R83 IonicContact OE1-CZ 2.77Å; E50-R83 IonicContact OE1-NE 3.78Å; E50-R83 PolarHBondContact OE1-NE 3.26Å; E50-R83 IonicContact OE1-NH2 2.68Å; E50-R83 IonicContact OE2-CZ 3.62Å; E50-R83 IonicContact OE2-NE 2.77Å; E50-R83 PolarHBondContact OE2-NE 3.05Å; E50-R83 IonicContact OE2-NH2 3.35Å; E50-R83 PolarHBondContact OE2-NH2 2.85Å; E79-R83 WeakPolarHBondContact O-CG 3.36Å; E79-R83 PolarHBondContact O-N 2.87Å; E79-R83 VanDerWaalsContact OE1-CD 3.24Å; E79-R83 WeakPolarHBondContact OE1-CD 3.43Å; E79-R83 IonicContact OE1-CZ 3.72Å; E79-R83 IonicContact OE1-NE 3.42Å; E79-R83 IonicContact OE1-NH1 3.85Å; E79-R83 PolarHBondContact OE1-NH1 3.32Å; R83-A85 VanDerWaalsContact C-N 3.26Å; R83-A85 PolarHBondContact O-N 3.26Å; R83-K86 PolarHBondContact O-N 2.87Å; R83-V87 PolarHBondContact O-N 3.36Å; R83-V87 VanDerWaalsContact O-N 3.07Å
84	A	97.4	Very high	95.5	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-58.7	-36.4	172.5	0	0	0	0	0	112.5	I46 P71 L74 W80 A81 A88	I46-A84 HydrophobicContact CD1-CB 3.82Å; P71-A84 HydrophobicContact CG-CB 4.01Å; L74-A84 HydrophobicContact CD1-CB 3.88Å; W80-A84 WeakPolarHBondContact O-CB 3.42Å; W80-A84 PolarHBondContact O-N 2.92Å; A81-A84 PolarHBondContact O-N 2.98Å; A84-A88 WeakPolarHBondContact O-CB 3.01Å; A84-A88 PolarHBondContact O-N 2.96Å
85	A	96.9	Very high	95.5	Very high	45 Å²	45	51.5 Å²	51.5	37%	0.372	29%	0.293	S	S	.	.	H	α-helix	trans	-69.3	-40	179	0	0	0	0	0	112.1	P71 A81 S82 R83 A88 A89	P71-A85 HydrophobicContact CB-CB 4.5Å; P71-A85 HydrophobicContact CG-CB 4.13Å; A81-A85 WeakPolarHBondContact O-CB 3.44Å; A81-A85 PolarHBondContact O-N 3.49Å; S82-A85 WeakPolarHBondContact O-CB 3.47Å; S82-A85 PolarHBondContact O-N 2.84Å; R83-A85 VanDerWaalsContact C-N 3.26Å; R83-A85 PolarHBondContact O-N 3.26Å; A85-A88 PolarHBondContact O-N 3.29Å; A85-A89 WeakPolarHBondContact O-CB 3.47Å; A85-A89 PolarHBondContact O-N 3.05Å
86	K	97	Very high	95.6	Very high	129 Å²	129	49.5 Å²	49.5	56%	0.561	28%	0.276	S	S	*	.	H	α-helix	trans	-60.5	-48.3	172.5	-66.8	175.5	-177.3	-176.6	0	111.6	S82 R83 A89 R90	S82-K86 WeakPolarHBondContact O-CG 3.23Å; S82-K86 PolarHBondContact O-N 2.9Å; R83-K86 PolarHBondContact O-N 2.87Å; K86-A89 PolarHBondContact O-N 2.83Å; K86-R90 PolarHBondContact O-N 2.85Å; K86-R90 VanDerWaalsContact O-N 3.15Å
87	V	97	Very high	95.8	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-61.2	-44.9	175.6	170.6	0	0	0	0	110.9	I46 L49 E50 I56 V67 R83 A89 R90 M91	I46-V87 HydrophobicContact CG2-CG2 4.2Å; L49-V87 HydrophobicContact CB-CG1 4.28Å; L49-V87 HydrophobicContact CB-CG2 4.43Å; L49-V87 HydrophobicContact CD1-CG1 3.87Å; E50-V87 HydrophobicContact CG-CG2 4.06Å; I56-V87 HydrophobicContact CD1-CB 4.46Å; I56-V87 HydrophobicContact CD1-CG1 3.94Å; V67-V87 HydrophobicContact CG1-CG1 3.63Å; R83-V87 PolarHBondContact O-N 3.36Å; R83-V87 VanDerWaalsContact O-N 3.07Å; V87-A89 PolarHBondContact O-N 3.38Å; V87-R90 PolarHBondContact O-N 3.42Å; V87-M91 WeakPolarHBondContact O-CB 3.32Å; V87-M91 PolarHBondContact O-N 3.32Å
88	A	96.6	Very high	95.9	Very high	14 Å²	14	40.2 Å²	40.2	12%	0.116	23%	0.227	C	C	.	.	H	α-helix	trans	-63	-35.8	178.3	0	0	0	0	0	113.7	K68 P71 A84 A85	K68-A88 HydrophobicContact CB-CB 4.49Å; K68-A88 VanDerWaalsContact CE-O 3.28Å; K68-A88 WeakPolarHBondContact CE-O 3.47Å; K68-A88 HydrophobicContact CG-CB 4.34Å; P71-A88 HydrophobicContact CG-CB 4.17Å; A84-A88 WeakPolarHBondContact O-CB 3.01Å; A84-A88 PolarHBondContact O-N 2.96Å; A85-A88 PolarHBondContact O-N 3.29Å
89	A	96	Very high	96	Very high	78 Å²	78	36.3 Å²	36.3	65%	0.645	20%	0.202	S	C	*	.	H	α-helix	trans	-68.3	-38.7	175.2	0	0	0	0	0	112.4	A85 K86 V87	A85-A89 WeakPolarHBondContact O-CB 3.47Å; A85-A89 PolarHBondContact O-N 3.05Å; K86-A89 PolarHBondContact O-N 2.83Å; V87-A89 PolarHBondContact O-N 3.38Å
90	R	95.9	Very high	95.9	Very high	36 Å²	36	35 Å²	35	14%	0.136	20%	0.199	C	C	.	.	H	α-helix	trans	-76.9	-25.1	176.2	-73.6	168.5	50.1	-156.8	-10.9	113.8	L49 N52 D53 D54 I56 K86 V87	L49-R90 PolarHBondContact O-NH2 2.93Å; N52-R90 PolarHBondContact O-NH1 3.11Å; N52-R90 PolarHBondContact O-NH2 2.78Å; D53-R90 VanDerWaalsContact C-CZ 3.41Å; D53-R90 VanDerWaalsContact CA-CZ 3.41Å; D53-R90 PolarHBondContact O-NE 3.24Å; D53-R90 IonicContact OD1-CZ 3.77Å; D53-R90 IonicContact OD1-NH1 3Å; D53-R90 PolarHBondContact OD1-NH1 3.41Å; D54-R90 VanDerWaalsContact O-CZ 3.29Å; D54-R90 PolarHBondContact O-NE 3.19Å; D54-R90 PolarHBondContact O-NH2 2.85Å; I56-R90 HydrophobicContact CD1-CB 3.9Å; I56-R90 HydrophobicContact CG1-CB 4.14Å; I56-R90 PolarHBondContact N-O 3.36Å; K86-R90 PolarHBondContact O-N 2.85Å; K86-R90 VanDerWaalsContact O-N 3.15Å; V87-R90 PolarHBondContact O-N 3.42Å
91	M	95.9	Very high	95.8	Very high	8 Å²	8	39.2 Å²	39.2	4%	0.039	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	128.3	-179.5	-166.1	74.6	-179.6	0	0	112	I56 T64 V67 K68 V87	I56-M91 HydrophobicContact CB-SD 4.09Å; I56-M91 HydrophobicContact CG2-SD 3.52Å; I56-M91 VanDerWaalsContact CG2-SD 3.52Å; I56-M91 CarbonylContact O-C 3.56Å; I56-M91 WeakPolarHBondContact O-CA 3.47Å; T64-M91 HydrophobicContact CG2-CG 4.1Å; V67-M91 HydrophobicContact CB-CE 4.13Å; V67-M91 HydrophobicContact CB-CG 4.19Å; V67-M91 HydrophobicContact CB-SD 4.13Å; V67-M91 HydrophobicContact CG1-CB 4.45Å; V67-M91 HydrophobicContact CG1-CG 4.13Å; V67-M91 HydrophobicContact CG1-SD 3.96Å; V67-M91 HydrophobicContact CG2-CE 4.06Å; V67-M91 HydrophobicContact CG2-SD 4.46Å; K68-M91 WeakPolarHBondContact CE-O 3.2Å; K68-M91 HydrophobicContact CG-CB 4.17Å; K68-M91 HydrophobicContact CG-CG 4.38Å; K68-M91 PolarHBondContact NZ-O 3.02Å; V87-M91 WeakPolarHBondContact O-CB 3.32Å; V87-M91 PolarHBondContact O-N 3.32Å
92	Q	94.4	Very high	95.8	Very high	33 Å²	33	41.2 Å²	41.2	15%	0.154	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	153	-179.9	-70	178	94.7	0	0	111.7	I56 I57 S58 F97	I56-Q92 PolarHBondContact O-N 3.34Å; I57-Q92 HydrophobicContact CD1-CB 4.07Å; S58-Q92 PolarHBondContact N-O 3.05Å; Q92-F97 HydrophobicContact CB-CB 4.35Å
93	D	92.8	Very high	95.7	Very high	6 Å²	6	40.9 Å²	40.9	3%	0.032	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	148.4	167.9	175.9	-93.6	0	0	0	110.6	S58 T95 S96 F97 L123	S58-D93 WeakPolarHBondContact O-CA 3.5Å; D93-T95 PolarHBondContact O-N 3.09Å; D93-T95 PolarHBondContact OD1-N 2.79Å; D93-T95 PolarHBondContact OD1-OG1 2.93Å; D93-T95 VanDerWaalsContact OD1-OG1 3.05Å; D93-S96 PolarHBondContact O-N 3.07Å; D93-S96 PolarHBondContact OD1-N 2.62Å; D93-F97 VanDerWaalsContact O-CB 3.29Å; D93-F97 WeakPolarHBondContact O-CB 3.24Å; D93-F97 PolarHBondContact O-N 3.04Å; D93-L123 HydrophobicContact CB-CD1 3.74Å; D93-L123 VanDerWaalsContact OD2-CD1 3.31Å; D93-L123 WeakPolarHBondContact OD2-CD1 3.34Å
94	L	93.7	Very high	95.7	Very high	17 Å²	17	39.8 Å²	39.8	9%	0.089	23%	0.232	C	C	.	.	H	α-helix	trans	-56.7	-46.2	-179	-179.5	64	0	0	0	113.9	L9 I57 S58 P59 I98	L9-L94 HydrophobicContact CD1-CD1 4.05Å; L9-L94 HydrophobicContact CD2-CD1 3.92Å; L9-L94 HydrophobicContact CG-CD1 3.95Å; I57-L94 HydrophobicContact CG2-CB 4.09Å; I57-L94 HydrophobicContact CG2-CD1 3.82Å; S58-L94 PolarHBondContact O-N 3.42Å; S58-L94 VanDerWaalsContact O-N 3.14Å; P59-L94 HydrophobicContact CB-CB 4.27Å; P59-L94 HydrophobicContact CB-CD2 3.98Å; L94-I98 HydrophobicContact CD1-CD1 3.78Å; L94-I98 HydrophobicContact CD1-CG1 4.31Å; L94-I98 HydrophobicContact CG-CD1 3.96Å; L94-I98 VanDerWaalsContact O-CG1 3.27Å; L94-I98 WeakPolarHBondContact O-CG1 3.39Å; L94-I98 PolarHBondContact O-N 2.96Å; L94-I98 VanDerWaalsContact O-N 3.07Å
95	T	93.7	Very high	95.6	Very high	28 Å²	28	43.1 Å²	43.1	17%	0.172	25%	0.253	C	S	.	.	H	α-helix	trans	-73.9	-40.8	-176.2	67.8	0	0	0	0	110.8	D93 F97 I98 V99 P133 L136	D93-T95 PolarHBondContact O-N 3.09Å; D93-T95 PolarHBondContact OD1-N 2.79Å; D93-T95 PolarHBondContact OD1-OG1 2.93Å; D93-T95 VanDerWaalsContact OD1-OG1 3.05Å; T95-F97 VanDerWaalsContact C-N 3.29Å; T95-F97 PolarHBondContact O-N 2.92Å; T95-I98 PolarHBondContact O-N 3.42Å; T95-V99 WeakPolarHBondContact O-CG2 3.22Å; T95-V99 PolarHBondContact O-N 2.81Å; T95-P133 HydrophobicContact CG2-CB 4.25Å; T95-P133 HydrophobicContact CG2-CG 4.15Å; T95-P133 VanDerWaalsContact OG1-CD 3.31Å; T95-P133 WeakPolarHBondContact OG1-CD 3.38Å; T95-P133 WeakPolarHBondContact OG1-CG 3.4Å; T95-L136 HydrophobicContact CG2-CD1 3.99Å
96	S	93.8	Very high	95.6	Very high	19 Å²	19	44.2 Å²	44.2	13%	0.133	25%	0.252	C	S	.	.	H	α-helix	trans	-64.6	-34.5	177.1	-159.1	0	0	0	0	111.6	D93 N100 E132	D93-S96 PolarHBondContact O-N 3.07Å; D93-S96 PolarHBondContact OD1-N 2.62Å; S96-N100 WeakPolarHBondContact O-CA 3.22Å; S96-N100 WeakPolarHBondContact O-CB 3.46Å; S96-N100 PolarHBondContact O-N 2.76Å; S96-N100 PolarHBondContact O-ND2 2.83Å; S96-N100 PolarHBondContact OG-ND2 2.85Å; S96-E132 VanDerWaalsContact CB-OE1 3.28Å; S96-E132 WeakPolarHBondContact CB-OE1 3.45Å; S96-E132 PolarHBondContact OG-OE1 2.91Å
97	F	96.1	Very high	95.4	Very high	18 Å²	18	39.2 Å²	39.2	8%	0.079	23%	0.233	C	C	.	.	H	α-helix	trans	-67.1	-49.4	172.2	178.5	-107.1	0	0	0	112.7	L9 P55 I57 Q92 D93 T95 V99 K101 L102	L9-F97 HydrophobicContact CD2-CD1 3.99Å; L9-F97 HydrophobicContact CD2-CE1 3.91Å; P55-F97 HydrophobicContact CB-CD2 4.37Å; P55-F97 HydrophobicContact CB-CE2 3.76Å; P55-F97 HydrophobicContact CB-CZ 4.36Å; P55-F97 HydrophobicContact CG-CE2 4.04Å; I57-F97 HydrophobicContact CD1-CB 3.83Å; I57-F97 HydrophobicContact CD1-CD1 3.73Å; I57-F97 HydrophobicContact CD1-CD2 3.45Å; I57-F97 VanDerWaalsContact CD1-CD2 3.45Å; I57-F97 HydrophobicContact CD1-CE1 4.11Å; I57-F97 HydrophobicContact CD1-CE2 3.87Å; I57-F97 HydrophobicContact CD1-CG 3.37Å; I57-F97 HydrophobicContact CD1-CZ 4.18Å; I57-F97 HydrophobicContact CG1-CD1 4.04Å; I57-F97 HydrophobicContact CG1-CE1 4.25Å; I57-F97 HydrophobicContact CG1-CG 4.19Å; Q92-F97 HydrophobicContact CB-CB 4.35Å; D93-F97 VanDerWaalsContact O-CB 3.29Å; D93-F97 WeakPolarHBondContact O-CB 3.24Å; D93-F97 PolarHBondContact O-N 3.04Å; T95-F97 VanDerWaalsContact C-N 3.29Å; T95-F97 PolarHBondContact O-N 2.92Å; F97-V99 PolarHBondContact O-N 2.8Å; F97-K101 HydrophobicContact CD2-CB 3.59Å; F97-K101 HydrophobicContact CD2-CG 3.76Å; F97-K101 HydrophobicContact CE2-CB 3.76Å; F97-K101 HydrophobicContact CE2-CG 4.21Å; F97-K101 HydrophobicContact CG-CB 4.39Å; F97-K101 WeakPolarHBondContact O-CA 3.28Å; F97-K101 VanDerWaalsContact O-CB 3.3Å; F97-K101 WeakPolarHBondContact O-CB 3.34Å; F97-K101 PolarHBondContact O-N 3.4Å; F97-L102 HydrophobicContact CD1-CD1 4.26Å; F97-L102 HydrophobicContact CD1-CG 4.24Å; F97-L102 HydrophobicContact CE1-CD1 3.84Å; F97-L102 HydrophobicContact CE1-CD2 3.87Å; F97-L102 HydrophobicContact CE1-CG 3.8Å; F97-L102 HydrophobicContact CZ-CD2 3.77Å; F97-L102 HydrophobicContact CZ-CG 4.14Å; F97-L102 PolarHBondContact O-N 3.16Å
98	I	96.8	Very high	95.2	Very high	1 Å²	1	40.7 Å²	40.7	1%	0.005	25%	0.248	C	C	.	.	H	α-helix	trans	-60.4	-47.6	-179.2	-67.7	168.6	0	0	0	110.7	L8 L12 L94 T95 L102 G103 V104 V107 L136	L8-I98 HydrophobicContact CD2-CD1 3.76Å; L8-I98 HydrophobicContact CG-CD1 4.24Å; L12-I98 HydrophobicContact CD1-CD1 4.01Å; L12-I98 HydrophobicContact CD1-CG1 3.97Å; L12-I98 HydrophobicContact CD1-CG2 3.95Å; L94-I98 HydrophobicContact CD1-CD1 3.78Å; L94-I98 HydrophobicContact CD1-CG1 4.31Å; L94-I98 HydrophobicContact CG-CD1 3.96Å; L94-I98 VanDerWaalsContact O-CG1 3.27Å; L94-I98 WeakPolarHBondContact O-CG1 3.39Å; L94-I98 PolarHBondContact O-N 2.96Å; L94-I98 VanDerWaalsContact O-N 3.07Å; T95-I98 PolarHBondContact O-N 3.42Å; I98-L102 HydrophobicContact CG1-CD1 4.4Å; I98-L102 WeakPolarHBondContact O-CB 3.33Å; I98-G103 PolarHBondContact O-N 3.31Å; I98-V104 HydrophobicContact CG2-CB 3.86Å; I98-V104 HydrophobicContact CG2-CG1 4.09Å; I98-V104 PolarHBondContact O-N 2.93Å; I98-V107 HydrophobicContact CG2-CG1 4.13Å; I98-L136 HydrophobicContact CB-CD1 4.33Å; I98-L136 HydrophobicContact CG2-CD1 4.25Å; I98-L136 HydrophobicContact CG2-CD2 3.77Å
99	V	96.8	Very high	95.1	Very high	21 Å²	21	41.3 Å²	41.3	13%	0.127	25%	0.253	C	S	.	.	H	α-helix	trans	-74.9	-52.5	-178.9	179.7	0	0	0	0	111.8	T95 F97 G103 E132 T135 L136	T95-V99 WeakPolarHBondContact O-CG2 3.22Å; T95-V99 PolarHBondContact O-N 2.81Å; F97-V99 PolarHBondContact O-N 2.8Å; V99-G103 VanDerWaalsContact O-CA 3.29Å; V99-G103 WeakPolarHBondContact O-CA 3.35Å; V99-G103 PolarHBondContact O-N 2.95Å; V99-E132 HydrophobicContact CB-CB 3.96Å; V99-E132 HydrophobicContact CB-CG 4.06Å; V99-E132 HydrophobicContact CG1-CB 4.42Å; V99-E132 HydrophobicContact CG1-CG 4.2Å; V99-E132 HydrophobicContact CG2-CB 3.89Å; V99-T135 HydrophobicContact CG1-CG2 4.48Å; V99-T135 HydrophobicContact CG2-CG2 4.43Å; V99-L136 HydrophobicContact CG2-CD1 4.13Å; V99-L136 HydrophobicContact CG2-CD2 3.82Å; V99-L136 HydrophobicContact CG2-CG 3.72Å
100	N	95.5	Very high	95	Very high	92 Å²	92	41.8 Å²	41.8	49%	0.492	25%	0.252	S	S	.	.	H	α-helix	trans	-92.3	-11.9	-168.2	-52	-35.5	0	0	0	115	S96 E132	S96-N100 WeakPolarHBondContact O-CA 3.22Å; S96-N100 WeakPolarHBondContact O-CB 3.46Å; S96-N100 PolarHBondContact O-N 2.76Å; S96-N100 PolarHBondContact O-ND2 2.83Å; S96-N100 PolarHBondContact OG-ND2 2.85Å; N100-E132 PolarHBondContact ND2-OE1 3.09Å
101	K	94.1	Very high	94.9	Very high	135 Å²	135	43 Å²	43	59%	0.587	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.8	-39.9	176.9	-61.1	-58.2	-176.6	-173.6	0	114	F97	F97-K101 HydrophobicContact CD2-CB 3.59Å; F97-K101 HydrophobicContact CD2-CG 3.76Å; F97-K101 HydrophobicContact CE2-CB 3.76Å; F97-K101 HydrophobicContact CE2-CG 4.21Å; F97-K101 HydrophobicContact CG-CB 4.39Å; F97-K101 WeakPolarHBondContact O-CA 3.28Å; F97-K101 VanDerWaalsContact O-CB 3.3Å; F97-K101 WeakPolarHBondContact O-CB 3.34Å; F97-K101 PolarHBondContact O-N 3.4Å
102	L	96	Very high	94.8	Very high	61 Å²	61	49.4 Å²	49.4	32%	0.319	29%	0.29	S	S	.	.	S	Bend	trans	-84.5	-17	173.1	-53.1	-178.5	0	0	0	112.4	L12 F97 I98 V104	L12-L102 HydrophobicContact CB-CD1 4.26Å; L12-L102 HydrophobicContact CD1-CD1 4.25Å; F97-L102 HydrophobicContact CD1-CD1 4.26Å; F97-L102 HydrophobicContact CD1-CG 4.24Å; F97-L102 HydrophobicContact CE1-CD1 3.84Å; F97-L102 HydrophobicContact CE1-CD2 3.87Å; F97-L102 HydrophobicContact CE1-CG 3.8Å; F97-L102 HydrophobicContact CZ-CD2 3.77Å; F97-L102 HydrophobicContact CZ-CG 4.14Å; F97-L102 PolarHBondContact O-N 3.16Å; I98-L102 HydrophobicContact CG1-CD1 4.4Å; I98-L102 WeakPolarHBondContact O-CB 3.33Å; L102-V104 HydrophobicContact CB-CB 4.41Å; L102-V104 HydrophobicContact CB-CG2 3.85Å; L102-V104 PolarHBondContact O-N 3.23Å
103	G	96.3	Very high	94.7	Very high	59 Å²	59	48.6 Å²	48.6	61%	0.608	29%	0.291	S	S	*	.			trans	72.1	16	-176.1	0	0	0	0	0	113.6	I98 V99	I98-G103 PolarHBondContact O-N 3.31Å; V99-G103 VanDerWaalsContact O-CA 3.29Å; V99-G103 WeakPolarHBondContact O-CA 3.35Å; V99-G103 PolarHBondContact O-N 2.95Å
104	V	97	Very high	94.8	Very high	35 Å²	35	51.8 Å²	51.8	21%	0.212	30%	0.302	C	S	.	.			trans	-95.1	118.8	-171.3	176.4	0	0	0	0	110.2	L12 I98 L102 D106 V107	L12-V104 HydrophobicContact CD2-CG1 3.99Å; L12-V104 HydrophobicContact CD2-CG2 4.5Å; I98-V104 HydrophobicContact CG2-CB 3.86Å; I98-V104 HydrophobicContact CG2-CG1 4.09Å; I98-V104 PolarHBondContact O-N 2.93Å; L102-V104 HydrophobicContact CB-CB 4.41Å; L102-V104 HydrophobicContact CB-CG2 3.85Å; L102-V104 PolarHBondContact O-N 3.23Å; V104-D106 VanDerWaalsContact CG1-O 3.22Å; V104-D106 WeakPolarHBondContact CG1-O 3.33Å; V104-V107 HydrophobicContact CG1-CG1 3.88Å
105	V	96.1	Very high	94.6	Very high	71 Å²	71	51 Å²	51	43%	0.43	30%	0.298	S	S	.	.	S	Bend	trans	-105.6	-27.1	176.7	-61.4	0	0	0	0	113.6	T135 N139	V105-T135 HydrophobicContact CB-CG2 3.87Å; V105-T135 HydrophobicContact CG1-CG2 3.71Å; V105-N139 WeakPolarHBondContact O-CB 3.45Å; V105-N139 PolarHBondContact O-ND2 3.44Å; V105-N139 VanDerWaalsContact O-ND2 3.11Å
106	D	95.8	Very high	94.4	Very high	67 Å²	67	49.6 Å²	49.6	36%	0.358	29%	0.29	S	S	.	.			trans	-116.7	126.7	167.7	179.2	18.7	0	0	0	109.7	V104 G108 N139	V104-D106 VanDerWaalsContact CG1-O 3.22Å; V104-D106 WeakPolarHBondContact CG1-O 3.33Å; D106-G108 WeakPolarHBondContact OD1-CA 3.27Å; D106-G108 PolarHBondContact OD1-N 2.89Å; D106-N139 HydrophobicContact CB-CB 3.85Å
107	V	94.1	Very high	94.2	Very high	25 Å²	25	49.4 Å²	49.4	15%	0.152	29%	0.286	C	S	.	.			trans	-98.3	11.7	177.1	-57.6	0	0	0	0	112.4	L8 K11 L12 I98 V104 A109 L136	L8-V107 HydrophobicContact CD1-CB 4.03Å; L8-V107 HydrophobicContact CD1-CG1 4.26Å; L8-V107 HydrophobicContact CD1-CG2 4.2Å; K11-V107 PolarHBondContact NZ-O 2.87Å; L12-V107 HydrophobicContact CD1-CG1 4.06Å; L12-V107 HydrophobicContact CD2-CB 4.38Å; L12-V107 HydrophobicContact CD2-CG1 4.22Å; I98-V107 HydrophobicContact CG2-CG1 4.13Å; V104-V107 HydrophobicContact CG1-CG1 3.88Å; V107-A109 HydrophobicContact CG2-CB 3.88Å; V107-L136 HydrophobicContact CG1-CD2 4.1Å
108	G	92.7	Very high	93.6	Very high	31 Å²	31	49 Å²	49	32%	0.32	28%	0.284	S	S	.	.	S	Bend	trans	65.3	45.9	-175.6	0	0	0	0	0	112	K11 D106	K11-G108 PolarHBondContact NZ-O 3.27Å; D106-G108 WeakPolarHBondContact OD1-CA 3.27Å; D106-G108 PolarHBondContact OD1-N 2.89Å
109	A	93.4	Very high	92.9	Very high	27 Å²	27	49.4 Å²	49.4	22%	0.223	29%	0.287	C	S	.	.			trans	-96.7	156.8	-177.7	0	0	0	0	0	112.7	V107 V140 R141	V107-A109 HydrophobicContact CG2-CB 3.88Å; A109-V140 HydrophobicContact CB-CB 4.45Å; A109-V140 HydrophobicContact CB-CG1 4.14Å; A109-V140 HydrophobicContact CB-CG2 4.04Å; A109-R141 PolarHBondContact O-N 3.25Å
110	S	94.7	Very high	92.2	Very high	88 Å²	88	48.7 Å²	48.7	62%	0.615	28%	0.283	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-150.2	133.5	171.2	55.1	0	0	0	0	110.8	R141	S110-R141 CarbonylContact C-O 2.95Å; S110-R141 WeakPolarHBondContact CA-O 3.42Å; S110-R141 WeakPolarHBondContact CB-O 3.31Å
111	L	92.5	Very high	91.7	Very high	60 Å²	60	45.2 Å²	45.2	31%	0.314	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	116.2	176	176.7	60.1	0	0	0	106.2	V140 R141 G142 L143 Y187	L111-V140 HydrophobicContact CB-CG1 3.81Å; L111-R141 PolarHBondContact N-O 3.05Å; L111-G142 CarbonylContact O-C 3.34Å; L111-G142 VanDerWaalsContact O-O 3.13Å; L111-L143 HydrophobicContact CB-CD1 4.3Å; L111-L143 HydrophobicContact CD2-CD1 3.81Å; L111-L143 HydrophobicContact CG-CD1 4.04Å; L111-L143 WeakPolarHBondContact O-CA 3.15Å; L111-L143 PolarHBondContact O-N 3.28Å; L111-L143 VanDerWaalsContact O-N 3.09Å; L111-Y187 HydrophobicContact CD1-CE1 4.1Å; L111-Y187 HydrophobicContact CD1-CE2 4Å; L111-Y187 HydrophobicContact CD2-CD1 4.44Å; L111-Y187 HydrophobicContact CD2-CD2 4.12Å; L111-Y187 HydrophobicContact CD2-CE2 4.3Å; L111-Y187 HydrophobicContact CD2-CG 4.2Å; L111-Y187 HydrophobicContact CG-CD2 4.37Å; L111-Y187 HydrophobicContact CG-CE2 4.09Å
112	Q	94.8	Very high	91.3	Very high	143 Å²	143	39.2 Å²	39.2	67%	0.668	24%	0.241	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-82.8	135.3	177.9	-65.7	-65.4	-18.3	0	0	109.7	Y187	Q112-Y187 WeakPolarHBondContact O-CE2 3.44Å
113	G	92.9	Very high	90.8	Very high	16 Å²	16	36.4 Å²	36.4	17%	0.165	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	117.9	-176.2	176	0	0	0	0	0	113.2	G142 E144 E186	G113-G142 PolarHBondContact N-O 3.01Å; G113-E144 PolarHBondContact O-N 3.41Å; G113-E186 VanDerWaalsContact CA-OE1 3.23Å; G113-E186 WeakPolarHBondContact CA-OE1 3.12Å
114	R	93.5	Very high	90.5	Very high	73 Å²	73	34.1 Å²	34.1	28%	0.275	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	131.3	-167.7	-42.2	-167.8	-56	133.7	12.5	111.6	E144 L146 V183 R184 E186 Y187	R114-E144 CarbonylContact C-O 3.52Å; R114-E144 WeakPolarHBondContact CA-O 3.25Å; R114-E144 HydrophobicContact CB-CB 4.22Å; R114-E144 WeakPolarHBondContact CD-OE2 3.42Å; R114-E144 HydrophobicContact CG-CB 4.02Å; R114-E144 WeakPolarHBondContact CG-OE2 3.39Å; R114-L146 HydrophobicContact CB-CD1 3.93Å; R114-L146 HydrophobicContact CB-CG 4.42Å; R114-V183 PolarHBondContact NH2-O 3.28Å; R114-R184 PolarHBondContact NH2-O 2.82Å; R114-E186 PolarHBondContact N-OE1 3.47Å; R114-E186 PolarHBondContact O-N 2.87Å; R114-Y187 PolarHBondContact O-N 3.03Å; R114-Y187 VanDerWaalsContact O-N 3.14Å
115	A	91	Very high	90.1	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	150.7	-173.7	0	0	0	0	0	112.8	L143 E144 L145 L146 Y187 I189	A115-L143 HydrophobicContact CB-CD1 3.54Å; A115-L143 HydrophobicContact CB-CG 4.22Å; A115-E144 PolarHBondContact N-O 2.8Å; A115-L145 CarbonylContact O-C 3.3Å; A115-L146 PolarHBondContact O-N 3.47Å; A115-Y187 CarbonylContact C-O 3.55Å; A115-Y187 VanDerWaalsContact CA-O 3.24Å; A115-Y187 WeakPolarHBondContact CA-O 3.41Å; A115-I189 HydrophobicContact CB-CD1 3.79Å; A115-I189 HydrophobicContact CB-CG1 4.22Å
116	V	89.3	Confident	89.7	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	149.8	164.2	-69.2	0	0	0	0	110.7	L146 F148 L180 V183 P185 Y187 L188 I189	V116-L146 HydrophobicContact CG1-CB 3.92Å; V116-F148 HydrophobicContact CB-CD1 3.81Å; V116-F148 HydrophobicContact CB-CE1 3.9Å; V116-F148 HydrophobicContact CG1-CD1 3.71Å; V116-F148 HydrophobicContact CG1-CE1 4.31Å; V116-F148 HydrophobicContact CG1-CG 4.45Å; V116-F148 HydrophobicContact CG2-CD1 4.48Å; V116-F148 HydrophobicContact CG2-CE1 4.3Å; V116-L180 HydrophobicContact CG2-CD1 3.64Å; V116-L180 HydrophobicContact CG2-CG 3.85Å; V116-V183 HydrophobicContact CG1-CG2 3.72Å; V116-P185 HydrophobicContact CG1-CB 4.02Å; V116-P185 HydrophobicContact CG1-CG 4.03Å; V116-P185 HydrophobicContact CG2-CB 4.13Å; V116-P185 HydrophobicContact CG2-CG 3.88Å; V116-Y187 PolarHBondContact N-O 3.02Å; V116-L188 HydrophobicContact CG2-CD1 4.05Å; V116-I189 PolarHBondContact O-N 2.93Å
117	Y	89.1	Confident	89.4	Confident	14 Å²	14	32.5 Å²	32.5	6%	0.055	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	129.4	170.9	174.8	-119.2	0	0	0	111.9	P119 P133 L134 L137 I189	Y117-P119 HydrophobicContact CD1-CB 4.47Å; Y117-P119 HydrophobicContact CE1-CB 3.79Å; Y117-P119 HydrophobicContact CE1-CG 4.47Å; Y117-P119 VanDerWaalsContact O-CD 3.27Å; Y117-P119 WeakPolarHBondContact O-CD 3.36Å; Y117-P133 HydrophobicContact CE1-CB 4.08Å; Y117-P133 HydrophobicContact CE2-CB 4.02Å; Y117-P133 WeakPolarHBondContact OH-CB 3.05Å; Y117-P133 WeakPolarHBondContact OH-CG 3.41Å; Y117-L134 HydrophobicContact CD1-CD2 3.62Å; Y117-L134 HydrophobicContact CD1-CG 4.29Å; Y117-L134 HydrophobicContact CE1-CD2 4.28Å; Y117-L134 HydrophobicContact CE1-CG 4.49Å; Y117-L134 HydrophobicContact CG-CD2 4.23Å; Y117-L137 HydrophobicContact CD2-CD1 3.86Å; Y117-L137 HydrophobicContact CG-CD1 4.06Å; Y117-I189 CarbonylContact C-O 3.59Å; Y117-I189 WeakPolarHBondContact CA-O 3.4Å; Y117-I189 HydrophobicContact CD2-CG2 4.44Å
118	H	83.4	Confident	89.3	Confident	9 Å²	9	33.8 Å²	33.8	4%	0.042	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	100.8	172.1	179	75.4	0	0	0	110.6	S120 K176 L188 I189	H118-S120 PolarHBondContact O-N 2.76Å; H118-K176 WeakPolarHBondContact ND1-CE 3.36Å; H118-L188 HydrophobicContact CB-CD1 3.73Å; H118-I189 PolarHBondContact N-O 3.27Å
119	P	82.6	Confident	89.2	Confident	10 Å²	10	32.8 Å²	32.8	7%	0.065	19%	0.189	C	C	.	.			trans	-67	116.6	174.4	25.4	-32.4	0	0	0	110.9	Y117 C121 A124 Q151 D152	Y117-P119 HydrophobicContact CD1-CB 4.47Å; Y117-P119 HydrophobicContact CE1-CB 3.79Å; Y117-P119 HydrophobicContact CE1-CG 4.47Å; Y117-P119 VanDerWaalsContact O-CD 3.27Å; Y117-P119 WeakPolarHBondContact O-CD 3.36Å; P119-C121 PolarHBondContact O-N 2.99Å; P119-A124 HydrophobicContact CB-CB 4.11Å; P119-Q151 WeakPolarHBondContact CD-O 3.36Å; P119-Q151 HydrophobicContact CG-CG 4.27Å; P119-Q151 WeakPolarHBondContact CG-O 3.38Å; P119-D152 WeakPolarHBondContact CG-OD1 3.29Å
120	S	82.1	Confident	89	Confident	7 Å²	7	37.2 Å²	37.2	5%	0.049	20%	0.203	C	C	.	.			trans	-65	128.5	170.9	177.4	0	0	0	0	109.6	H118 S122 L123 A124 D192	H118-S120 PolarHBondContact O-N 2.76Å; S120-S122 PolarHBondContact O-N 2.96Å; S120-L123 WeakPolarHBondContact O-CA 3.4Å; S120-L123 WeakPolarHBondContact O-CB 3.28Å; S120-L123 PolarHBondContact O-N 3.35Å; S120-A124 PolarHBondContact O-N 3.31Å; S120-D192 WeakPolarHBondContact CB-OD2 3.31Å; S120-D192 PolarHBondContact OG-OD2 3.44Å
121	C	85.4	Confident	89	Confident	18 Å²	18	38 Å²	38	12%	0.122	20%	0.2	C	C	.	.	H	α-helix	trans	-61.2	-27.9	-179.5	64	0	0	0	0	113.1	P119 L123 R125 K126 C546	P119-C121 PolarHBondContact O-N 2.99Å; C121-L123 VanDerWaalsContact C-N 3.26Å; C121-L123 PolarHBondContact O-N 3.43Å; C121-R125 WeakPolarHBondContact O-CB 3.26Å; C121-R125 PolarHBondContact O-N 3.24Å; C121-K126 PolarHBondContact O-N 2.83Å; C121-C546 HydrophobicContact CB-CB 4.07Å
122	S	84.4	Confident	89.1	Confident	9 Å²	9	36.2 Å²	36.2	6%	0.063	19%	0.19	C	C	.	.	H	α-helix	trans	-68.5	-27.5	173.8	-60.4	0	0	0	0	112.5	S120 K126 L127	S120-S122 PolarHBondContact O-N 2.96Å; S122-K126 WeakPolarHBondContact O-CB 3.48Å; S122-L127 WeakPolarHBondContact O-CG 3.33Å; S122-L127 PolarHBondContact O-N 3.14Å
123	L	86.2	Confident	89	Confident	3 Å²	3	29.7 Å²	29.7	2%	0.016	16%	0.161	C	C	.	.	H	α-helix	trans	-82.1	-66.2	174.9	-164.1	61.9	0	0	0	110.1	D93 S120 C121 R125 L127 G128 V129 P133	D93-L123 HydrophobicContact CB-CD1 3.74Å; D93-L123 VanDerWaalsContact OD2-CD1 3.31Å; D93-L123 WeakPolarHBondContact OD2-CD1 3.34Å; S120-L123 WeakPolarHBondContact O-CA 3.4Å; S120-L123 WeakPolarHBondContact O-CB 3.28Å; S120-L123 PolarHBondContact O-N 3.35Å; C121-L123 VanDerWaalsContact C-N 3.26Å; C121-L123 PolarHBondContact O-N 3.43Å; L123-R125 PolarHBondContact O-N 3.31Å; L123-L127 HydrophobicContact CD1-CD1 4.15Å; L123-L127 WeakPolarHBondContact O-CB 3.48Å; L123-L127 PolarHBondContact O-N 3.14Å; L123-G128 PolarHBondContact O-N 2.91Å; L123-G128 VanDerWaalsContact O-N 3.12Å; L123-V129 CarbonylContact C-O 3.48Å; L123-V129 HydrophobicContact CD1-CB 3.61Å; L123-V129 HydrophobicContact CD1-CG1 3.61Å; L123-V129 HydrophobicContact CD1-CG2 4.21Å; L123-V129 HydrophobicContact CD2-CG1 4.1Å; L123-V129 HydrophobicContact CG-CB 3.8Å; L123-V129 HydrophobicContact CG-CG1 3.72Å; L123-V129 PolarHBondContact O-N 3.44Å; L123-P133 HydrophobicContact CD2-CG 3.96Å
124	A	88.7	Confident	89.1	Confident	11 Å²	11	30.8 Å²	30.8	9%	0.091	16%	0.162	C	C	.	.	H	α-helix	trans	-68.8	-28	-170.8	0	0	0	0	0	115.6	P119 S120 V129 K130	P119-A124 HydrophobicContact CB-CB 4.11Å; S120-A124 PolarHBondContact O-N 3.31Å; A124-V129 VanDerWaalsContact CA-O 3.24Å; A124-V129 WeakPolarHBondContact CA-O 3.28Å; A124-V129 PolarHBondContact N-O 2.87Å; A124-K130 HydrophobicContact CB-CG 4.17Å; A124-K130 WeakPolarHBondContact O-CE 3.42Å
125	R	88.5	Confident	89.1	Confident	56 Å²	56	29.2 Å²	29.2	21%	0.211	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.4	-26.4	-178.5	-63.1	-174.6	174.2	108	8.4	115.1	C121 L123 D152 C546 T547	C121-R125 WeakPolarHBondContact O-CB 3.26Å; C121-R125 PolarHBondContact O-N 3.24Å; L123-R125 PolarHBondContact O-N 3.31Å; R125-D152 PolarHBondContact NH1-O 3.27Å; R125-D152 PolarHBondContact NH2-O 2.81Å; R125-C546 WeakPolarHBondContact CD-O 3.35Å; R125-T547 VanDerWaalsContact CB-OG1 3.27Å; R125-T547 WeakPolarHBondContact CB-OG1 3.42Å
126	K	88.5	Confident	89.3	Confident	39 Å²	39	30.4 Å²	30.4	17%	0.17	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.1	-24.5	-177	-48.8	-173.9	-175.6	-178	0	114.5	Y65 C121 S122 L545 T547	Y65-K126 HydrophobicContact CD1-CB 4.45Å; Y65-K126 HydrophobicContact CD1-CD 3.65Å; Y65-K126 HydrophobicContact CD2-CB 3.48Å; Y65-K126 VanDerWaalsContact CD2-CB 3.48Å; Y65-K126 HydrophobicContact CD2-CD 4.19Å; Y65-K126 HydrophobicContact CD2-CG 4.47Å; Y65-K126 HydrophobicContact CE1-CD 3.72Å; Y65-K126 HydrophobicContact CE2-CB 3.7Å; Y65-K126 HydrophobicContact CE2-CD 4.26Å; Y65-K126 HydrophobicContact CE2-CG 4.49Å; Y65-K126 HydrophobicContact CG-CB 3.88Å; Y65-K126 HydrophobicContact CG-CD 3.89Å; C121-K126 PolarHBondContact O-N 2.83Å; S122-K126 WeakPolarHBondContact O-CB 3.48Å; K126-L545 WeakPolarHBondContact CE-O 3.24Å; K126-L545 PolarHBondContact NZ-O 2.84Å; K126-T547 HydrophobicContact CD-CG2 4.36Å; K126-T547 HydrophobicContact CG-CG2 3.97Å; K126-T547 WeakPolarHBondContact CG-OG1 3.43Å
127	L	90.6	Very high	89.6	Confident	44 Å²	44	31.6 Å²	31.6	23%	0.23	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.5	-13.7	176.6	-65.9	168.5	0	0	0	112.6	G61 T64 Y65 K68 S122 L123 V129	G61-L127 WeakPolarHBondContact O-CD1 3.39Å; T64-L127 HydrophobicContact CG2-CD1 3.62Å; T64-L127 HydrophobicContact CG2-CD2 4.1Å; Y65-L127 HydrophobicContact CD2-CD2 4.33Å; K68-L127 HydrophobicContact CD-CD2 4.1Å; S122-L127 WeakPolarHBondContact O-CG 3.33Å; S122-L127 PolarHBondContact O-N 3.14Å; L123-L127 HydrophobicContact CD1-CD1 4.15Å; L123-L127 WeakPolarHBondContact O-CB 3.48Å; L123-L127 PolarHBondContact O-N 3.14Å; L127-V129 HydrophobicContact CB-CG2 4.27Å; L127-V129 PolarHBondContact O-N 3.42Å
128	G	90.6	Very high	89.9	Confident	51 Å²	51	38 Å²	38	53%	0.526	20%	0.202	S	C	.	.			trans	79.9	-8.8	-179.5	0	0	0	0	0	114.9	L123 K130	L123-G128 PolarHBondContact O-N 2.91Å; L123-G128 VanDerWaalsContact O-N 3.12Å; G128-K130 PolarHBondContact O-N 3.36Å
129	V	90.8	Very high	90.5	Very high	11 Å²	11	40.5 Å²	40.5	7%	0.067	22%	0.215	C	C	.	.			trans	-68	113.4	179	174	0	0	0	0	109.7	L123 A124 L127 E132 P133	L123-V129 CarbonylContact C-O 3.48Å; L123-V129 HydrophobicContact CD1-CB 3.61Å; L123-V129 HydrophobicContact CD1-CG1 3.61Å; L123-V129 HydrophobicContact CD1-CG2 4.21Å; L123-V129 HydrophobicContact CD2-CG1 4.1Å; L123-V129 HydrophobicContact CG-CB 3.8Å; L123-V129 HydrophobicContact CG-CG1 3.72Å; L123-V129 PolarHBondContact O-N 3.44Å; A124-V129 VanDerWaalsContact CA-O 3.24Å; A124-V129 WeakPolarHBondContact CA-O 3.28Å; A124-V129 PolarHBondContact N-O 2.87Å; L127-V129 HydrophobicContact CB-CG2 4.27Å; L127-V129 PolarHBondContact O-N 3.42Å; V129-E132 WeakPolarHBondContact CA-OE2 3.5Å; V129-E132 HydrophobicContact CG1-CB 4.48Å; V129-E132 WeakPolarHBondContact CG1-OE2 3.22Å; V129-P133 HydrophobicContact CG1-CG 4.38Å
130	K	90.6	Very high	91.1	Very high	119 Å²	119	41 Å²	41	52%	0.517	22%	0.218	S	C	.	.			trans	-133.9	-51.8	-171.1	-73.9	176.4	-178.8	178.1	0	111.8	A124 G128 E132 P133	A124-K130 HydrophobicContact CB-CG 4.17Å; A124-K130 WeakPolarHBondContact O-CE 3.42Å; G128-K130 PolarHBondContact O-N 3.36Å; K130-E132 PolarHBondContact N-OE2 2.91Å; K130-E132 VanDerWaalsContact N-OE2 3.09Å; K130-P133 WeakPolarHBondContact O-CD 3.42Å
131	D	94.1	Very high	91.8	Very high	105 Å²	105	47.9 Å²	47.9	56%	0.561	24%	0.243	S	C	*	.	H	α-helix	trans	-91.2	-20.9	-169.2	-60.6	-68.8	0	0	0	112.7	L134 T135	D131-L134 PolarHBondContact O-N 2.66Å; D131-T135 VanDerWaalsContact O-CB 3.32Å; D131-T135 WeakPolarHBondContact O-CB 3.44Å; D131-T135 PolarHBondContact O-N 3.4Å; D131-T135 PolarHBondContact O-OG1 3.45Å
132	E	94.7	Very high	92.3	Very high	22 Å²	22	48.8 Å²	48.8	10%	0.103	26%	0.256	C	S	.	.	H	α-helix	trans	-65.8	-44.3	178.5	-49.5	101.1	113.8	0	0	113	S96 V99 N100 V129 K130 L134 T135 L136	S96-E132 VanDerWaalsContact CB-OE1 3.28Å; S96-E132 WeakPolarHBondContact CB-OE1 3.45Å; S96-E132 PolarHBondContact OG-OE1 2.91Å; V99-E132 HydrophobicContact CB-CB 3.96Å; V99-E132 HydrophobicContact CB-CG 4.06Å; V99-E132 HydrophobicContact CG1-CB 4.42Å; V99-E132 HydrophobicContact CG1-CG 4.2Å; V99-E132 HydrophobicContact CG2-CB 3.89Å; N100-E132 PolarHBondContact ND2-OE1 3.09Å; V129-E132 WeakPolarHBondContact CA-OE2 3.5Å; V129-E132 HydrophobicContact CG1-CB 4.48Å; V129-E132 WeakPolarHBondContact CG1-OE2 3.22Å; K130-E132 PolarHBondContact N-OE2 2.91Å; K130-E132 VanDerWaalsContact N-OE2 3.09Å; E132-L134 VanDerWaalsContact C-N 3.31Å; E132-L134 PolarHBondContact O-N 2.88Å; E132-T135 PolarHBondContact O-N 3.18Å; E132-L136 WeakPolarHBondContact O-CG 3.36Å; E132-L136 PolarHBondContact O-N 3.38Å
133	P	92.5	Very high	92.8	Very high	7 Å²	7	49.6 Å²	49.6	5%	0.045	26%	0.259	C	S	.	.	H	α-helix	trans	-57.7	-42.5	169.7	-21.2	30.5	0	0	0	112.7	T95 Y117 L123 V129 K130 L136 L137	T95-P133 HydrophobicContact CG2-CB 4.25Å; T95-P133 HydrophobicContact CG2-CG 4.15Å; T95-P133 VanDerWaalsContact OG1-CD 3.31Å; T95-P133 WeakPolarHBondContact OG1-CD 3.38Å; T95-P133 WeakPolarHBondContact OG1-CG 3.4Å; Y117-P133 HydrophobicContact CE1-CB 4.08Å; Y117-P133 HydrophobicContact CE2-CB 4.02Å; Y117-P133 WeakPolarHBondContact OH-CB 3.05Å; Y117-P133 WeakPolarHBondContact OH-CG 3.41Å; L123-P133 HydrophobicContact CD2-CG 3.96Å; V129-P133 HydrophobicContact CG1-CG 4.38Å; K130-P133 WeakPolarHBondContact O-CD 3.42Å; P133-L136 PolarHBondContact O-N 3.43Å; P133-L137 WeakPolarHBondContact O-CB 3.26Å; P133-L137 VanDerWaalsContact O-CG 3.27Å; P133-L137 WeakPolarHBondContact O-CG 3.14Å; P133-L137 PolarHBondContact O-N 3.36Å
134	L	93.7	Very high	93.3	Very high	38 Å²	38	54.1 Å²	54.1	20%	0.199	28%	0.28	C	S	.	.	H	α-helix	trans	-70.2	-36.9	-177.8	-67	175.1	0	0	0	111.9	Y117 D131 E132 L137 K138 L145	Y117-L134 HydrophobicContact CD1-CD2 3.62Å; Y117-L134 HydrophobicContact CD1-CG 4.29Å; Y117-L134 HydrophobicContact CE1-CD2 4.28Å; Y117-L134 HydrophobicContact CE1-CG 4.49Å; Y117-L134 HydrophobicContact CG-CD2 4.23Å; D131-L134 PolarHBondContact O-N 2.66Å; E132-L134 VanDerWaalsContact C-N 3.31Å; E132-L134 PolarHBondContact O-N 2.88Å; L134-L137 PolarHBondContact O-N 2.72Å; L134-K138 WeakPolarHBondContact O-CB 3.47Å; L134-K138 WeakPolarHBondContact O-CD 3.47Å; L134-K138 WeakPolarHBondContact O-CG 3.42Å; L134-K138 PolarHBondContact O-N 2.7Å; L134-L145 HydrophobicContact CD2-CD2 3.99Å
135	T	95.1	Very high	93.5	Very high	40 Å²	40	56 Å²	56	25%	0.245	29%	0.289	C	S	.	.	H	α-helix	trans	-61.3	-46	175.4	-64.6	0	0	0	0	111.1	V99 V105 D131 E132 N139	V99-T135 HydrophobicContact CG1-CG2 4.48Å; V99-T135 HydrophobicContact CG2-CG2 4.43Å; V105-T135 HydrophobicContact CB-CG2 3.87Å; V105-T135 HydrophobicContact CG1-CG2 3.71Å; D131-T135 VanDerWaalsContact O-CB 3.32Å; D131-T135 WeakPolarHBondContact O-CB 3.44Å; D131-T135 PolarHBondContact O-N 3.4Å; D131-T135 PolarHBondContact O-OG1 3.45Å; E132-T135 PolarHBondContact O-N 3.18Å; T135-N139 PolarHBondContact O-ND2 3.33Å
136	L	95.3	Very high	93.7	Very high	25 Å²	25	54.7 Å²	54.7	13%	0.131	29%	0.285	C	S	.	.	H	α-helix	trans	-65.6	-41.5	176.3	-64.7	173.7	0	0	0	111.9	T95 I98 V99 V107 E132 P133 N139	T95-L136 HydrophobicContact CG2-CD1 3.99Å; I98-L136 HydrophobicContact CB-CD1 4.33Å; I98-L136 HydrophobicContact CG2-CD1 4.25Å; I98-L136 HydrophobicContact CG2-CD2 3.77Å; V99-L136 HydrophobicContact CG2-CD1 4.13Å; V99-L136 HydrophobicContact CG2-CD2 3.82Å; V99-L136 HydrophobicContact CG2-CG 3.72Å; V107-L136 HydrophobicContact CG1-CD2 4.1Å; E132-L136 WeakPolarHBondContact O-CG 3.36Å; E132-L136 PolarHBondContact O-N 3.38Å; P133-L136 PolarHBondContact O-N 3.43Å; L136-N139 PolarHBondContact O-N 3Å
137	L	94.5	Very high	93.8	Very high	25 Å²	25	58 Å²	58	13%	0.131	31%	0.309	C	S	.	.	H	α-helix	trans	-68.9	-35.8	-179.3	-70.5	175.6	0	0	0	113.4	Y117 P133 L134 N139 V140 L143 L145 I189	Y117-L137 HydrophobicContact CD2-CD1 3.86Å; Y117-L137 HydrophobicContact CG-CD1 4.06Å; P133-L137 WeakPolarHBondContact O-CB 3.26Å; P133-L137 VanDerWaalsContact O-CG 3.27Å; P133-L137 WeakPolarHBondContact O-CG 3.14Å; P133-L137 PolarHBondContact O-N 3.36Å; L134-L137 PolarHBondContact O-N 2.72Å; L137-N139 PolarHBondContact O-N 3.41Å; L137-V140 HydrophobicContact CD2-CG2 4.42Å; L137-V140 PolarHBondContact O-N 2.7Å; L137-V140 VanDerWaalsContact O-N 3.16Å; L137-L143 HydrophobicContact CD2-CD2 4.26Å; L137-L145 HydrophobicContact CB-CD2 4.07Å; L137-L145 HydrophobicContact CD1-CD1 4.31Å; L137-I189 HydrophobicContact CD1-CD1 4.46Å; L137-I189 HydrophobicContact CD1-CG2 4.03Å; L137-I189 HydrophobicContact CD2-CD1 3.72Å; L137-I189 HydrophobicContact CD2-CG2 4.08Å
138	K	95.2	Very high	93.7	Very high	149 Å²	149	56.8 Å²	56.8	65%	0.648	30%	0.302	S	S	*	.	H	α-helix	trans	-62.6	-20.4	175.5	-76.2	166.6	-178	175.6	0	113.8	L134	L134-K138 WeakPolarHBondContact O-CB 3.47Å; L134-K138 WeakPolarHBondContact O-CD 3.47Å; L134-K138 WeakPolarHBondContact O-CG 3.42Å; L134-K138 PolarHBondContact O-N 2.7Å
139	N	96.2	Very high	93.5	Very high	61 Å²	61	56.5 Å²	56.5	33%	0.326	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95	-1.5	178.3	-73	-80	0	0	0	113.7	V105 D106 T135 L136 L137 R141	V105-N139 WeakPolarHBondContact O-CB 3.45Å; V105-N139 PolarHBondContact O-ND2 3.44Å; V105-N139 VanDerWaalsContact O-ND2 3.11Å; D106-N139 HydrophobicContact CB-CB 3.85Å; T135-N139 PolarHBondContact O-ND2 3.33Å; L136-N139 PolarHBondContact O-N 3Å; L137-N139 PolarHBondContact O-N 3.41Å; N139-R141 PolarHBondContact O-N 3.13Å
140	V	96.2	Very high	93.1	Very high	22 Å²	22	58.3 Å²	58.3	13%	0.133	30%	0.303	C	S	.	.	S	Bend	trans	-73.8	111.9	177.4	-177.2	0	0	0	0	110.1	A109 L111 L137 G142 L143	A109-V140 HydrophobicContact CB-CB 4.45Å; A109-V140 HydrophobicContact CB-CG1 4.14Å; A109-V140 HydrophobicContact CB-CG2 4.04Å; L111-V140 HydrophobicContact CB-CG1 3.81Å; L137-V140 HydrophobicContact CD2-CG2 4.42Å; L137-V140 PolarHBondContact O-N 2.7Å; L137-V140 VanDerWaalsContact O-N 3.16Å; V140-G142 PolarHBondContact O-N 3.45Å; V140-L143 HydrophobicContact CB-CB 3.86Å; V140-L143 HydrophobicContact CB-CD2 3.78Å; V140-L143 HydrophobicContact CB-CG 4.48Å; V140-L143 HydrophobicContact CG1-CB 3.86Å; V140-L143 HydrophobicContact CG1-CD2 4.04Å; V140-L143 HydrophobicContact CG2-CD2 4.15Å; V140-L143 WeakPolarHBondContact O-CB 3.03Å; V140-L143 PolarHBondContact O-N 3.3Å
141	R	96.7	Very high	92.8	Very high	150 Å²	150	54.3 Å²	54.3	57%	0.566	29%	0.286	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.8	125.6	-175	-63.6	-179.2	-65.6	-136.3	2	111.9	A109 S110 L111 N139	A109-R141 PolarHBondContact O-N 3.25Å; S110-R141 CarbonylContact C-O 2.95Å; S110-R141 WeakPolarHBondContact CA-O 3.42Å; S110-R141 WeakPolarHBondContact CB-O 3.31Å; L111-R141 PolarHBondContact N-O 3.05Å; N139-R141 PolarHBondContact O-N 3.13Å
142	G	95.7	Very high	92.3	Very high	38 Å²	38	54 Å²	54	39%	0.392	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	91.4	-3.2	-177.4	0	0	0	0	0	115.2	L111 G113 V140	L111-G142 CarbonylContact O-C 3.34Å; L111-G142 VanDerWaalsContact O-O 3.13Å; G113-G142 PolarHBondContact N-O 3.01Å; V140-G142 PolarHBondContact O-N 3.45Å
143	L	95.4	Very high	91.9	Very high	25 Å²	25	54 Å²	54	13%	0.131	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	114.8	-175.3	-169.4	65.8	0	0	0	111.2	L111 A115 L137 V140 L145 I189	L111-L143 HydrophobicContact CB-CD1 4.3Å; L111-L143 HydrophobicContact CD2-CD1 3.81Å; L111-L143 HydrophobicContact CG-CD1 4.04Å; L111-L143 WeakPolarHBondContact O-CA 3.15Å; L111-L143 PolarHBondContact O-N 3.28Å; L111-L143 VanDerWaalsContact O-N 3.09Å; A115-L143 HydrophobicContact CB-CD1 3.54Å; A115-L143 HydrophobicContact CB-CG 4.22Å; L137-L143 HydrophobicContact CD2-CD2 4.26Å; V140-L143 HydrophobicContact CB-CB 3.86Å; V140-L143 HydrophobicContact CB-CD2 3.78Å; V140-L143 HydrophobicContact CB-CG 4.48Å; V140-L143 HydrophobicContact CG1-CB 3.86Å; V140-L143 HydrophobicContact CG1-CD2 4.04Å; V140-L143 HydrophobicContact CG2-CD2 4.15Å; V140-L143 WeakPolarHBondContact O-CB 3.03Å; V140-L143 PolarHBondContact O-N 3.3Å; L143-L145 PolarHBondContact O-N 3.02Å; L143-I189 HydrophobicContact CD2-CD1 4.04Å
144	E	96.2	Very high	91.4	Very high	99 Å²	99	53.8 Å²	53.8	46%	0.463	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	105.9	168.4	-171.6	-173.9	154.8	0	0	108.9	G113 R114 A115 L146	G113-E144 PolarHBondContact O-N 3.41Å; R114-E144 CarbonylContact C-O 3.52Å; R114-E144 WeakPolarHBondContact CA-O 3.25Å; R114-E144 HydrophobicContact CB-CB 4.22Å; R114-E144 WeakPolarHBondContact CD-OE2 3.42Å; R114-E144 HydrophobicContact CG-CB 4.02Å; R114-E144 WeakPolarHBondContact CG-OE2 3.39Å; A115-E144 PolarHBondContact N-O 2.8Å; E144-L146 HydrophobicContact CG-CD2 4.22Å; E144-L146 PolarHBondContact O-N 3.04Å; E144-L146 WeakPolarHBondContact OE1-CD2 3.34Å
145	L	93.4	Very high	90.7	Very high	51 Å²	51	52.8 Å²	52.8	27%	0.267	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	101.7	179.6	-171.1	67.9	0	0	0	111.1	A115 L134 L137 L143	A115-L145 CarbonylContact O-C 3.3Å; L134-L145 HydrophobicContact CD2-CD2 3.99Å; L137-L145 HydrophobicContact CB-CD2 4.07Å; L137-L145 HydrophobicContact CD1-CD1 4.31Å; L143-L145 PolarHBondContact O-N 3.02Å
146	L	92.7	Very high	89.7	Confident	27 Å²	27	50.9 Å²	50.9	14%	0.141	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	142.6	176.7	-59.5	174	0	0	0	111.5	R114 A115 V116 E144 V183	R114-L146 HydrophobicContact CB-CD1 3.93Å; R114-L146 HydrophobicContact CB-CG 4.42Å; A115-L146 PolarHBondContact O-N 3.47Å; V116-L146 HydrophobicContact CG1-CB 3.92Å; E144-L146 HydrophobicContact CG-CD2 4.22Å; E144-L146 PolarHBondContact O-N 3.04Å; E144-L146 WeakPolarHBondContact OE1-CD2 3.34Å; L146-V183 HydrophobicContact CB-CG2 4.16Å; L146-V183 HydrophobicContact CD1-CB 4.19Å; L146-V183 HydrophobicContact CD1-CG2 4Å
147	T	90.9	Very high	88.7	Confident	109 Å²	109	54.7 Å²	54.7	67%	0.669	28%	0.284	S	S	*	.			trans	-94.5	161	161.5	53.2	0	0	0	0	110.3
148	F	87.8	Confident	87.5	Confident	18 Å²	18	54 Å²	54	8%	0.079	28%	0.284	C	S	.	.			trans	-143.5	162.7	176.9	64.6	-78.6	0	0	0	112.1	V116 Q151 K176 H179 L180 V183	V116-F148 HydrophobicContact CB-CD1 3.81Å; V116-F148 HydrophobicContact CB-CE1 3.9Å; V116-F148 HydrophobicContact CG1-CD1 3.71Å; V116-F148 HydrophobicContact CG1-CE1 4.31Å; V116-F148 HydrophobicContact CG1-CG 4.45Å; V116-F148 HydrophobicContact CG2-CD1 4.48Å; V116-F148 HydrophobicContact CG2-CE1 4.3Å; F148-Q151 HydrophobicContact CD1-CB 4.12Å; F148-Q151 HydrophobicContact CD1-CG 4.11Å; F148-Q151 HydrophobicContact CD2-CB 4.5Å; F148-Q151 HydrophobicContact CE1-CB 3.96Å; F148-Q151 HydrophobicContact CE1-CG 3.64Å; F148-Q151 HydrophobicContact CE2-CB 4.35Å; F148-Q151 HydrophobicContact CG-CB 4.39Å; F148-Q151 HydrophobicContact CZ-CB 4.08Å; F148-Q151 HydrophobicContact CZ-CG 4.01Å; F148-Q151 WeakPolarHBondContact O-CB 3.42Å; F148-Q151 PolarHBondContact O-N 2.84Å; F148-K176 HydrophobicContact CE2-CG 4.07Å; F148-H179 HydrophobicContact CD2-CB 4.05Å; F148-L180 HydrophobicContact CD2-CB 4.19Å; F148-L180 HydrophobicContact CE2-CB 4.18Å; F148-V183 HydrophobicContact CB-CG1 4.35Å; F148-V183 HydrophobicContact CB-CG2 4.14Å
149	A	85.1	Confident	86.2	Confident	46 Å²	46	48.1 Å²	48.1	38%	0.38	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	146.5	178.7	0	0	0	0	0	111.4	Q151 H179	A149-Q151 PolarHBondContact O-N 2.89Å; A149-H179 HydrophobicContact CB-CB 4.09Å; A149-H179 VanDerWaalsContact O-CB 3.3Å; A149-H179 WeakPolarHBondContact O-CB 3.38Å
150	E	83.5	Confident	85.1	Confident	49 Å²	49	46.4 Å²	46.4	23%	0.229	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.7	24.3	179.2	-59.3	-60.3	124.8	0	0	115	D152 T153 K176 Q213 R507	E150-D152 PolarHBondContact O-N 3.42Å; E150-T153 HydrophobicContact CB-CG2 3.75Å; E150-T153 HydrophobicContact CG-CG2 4.43Å; E150-T153 WeakPolarHBondContact O-CB 3.47Å; E150-T153 WeakPolarHBondContact O-CG2 3.45Å; E150-T153 PolarHBondContact O-N 2.82Å; E150-T153 PolarHBondContact O-OG1 2.97Å; E150-T153 WeakPolarHBondContact OE2-CG2 3.41Å; E150-K176 PolarHBondContact O-NZ 3.44Å; E150-Q213 WeakPolarHBondContact OE1-CG 3.43Å; E150-Q213 PolarHBondContact OE1-NE2 3Å; E150-R507 VanDerWaalsContact CD-NH1 3.34Å; E150-R507 IonicContact OE2-CZ 2.95Å; E150-R507 VanDerWaalsContact OE2-CZ 3.25Å; E150-R507 IonicContact OE2-NH1 2.75Å; E150-R507 PolarHBondContact OE2-NH1 3.23Å; E150-R507 IonicContact OE2-NH2 3.57Å; E150-R507 PolarHBondContact OE2-NH2 3.17Å
151	Q	84.6	Confident	84.2	Confident	35 Å²	35	45.4 Å²	45.4	16%	0.164	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-27.7	-173.7	175.9	172.6	-50	0	0	115	P119 F148 A149 K176	P119-Q151 WeakPolarHBondContact CD-O 3.36Å; P119-Q151 HydrophobicContact CG-CG 4.27Å; P119-Q151 WeakPolarHBondContact CG-O 3.38Å; F148-Q151 HydrophobicContact CD1-CB 4.12Å; F148-Q151 HydrophobicContact CD1-CG 4.11Å; F148-Q151 HydrophobicContact CD2-CB 4.5Å; F148-Q151 HydrophobicContact CE1-CB 3.96Å; F148-Q151 HydrophobicContact CE1-CG 3.64Å; F148-Q151 HydrophobicContact CE2-CB 4.35Å; F148-Q151 HydrophobicContact CG-CB 4.39Å; F148-Q151 HydrophobicContact CZ-CB 4.08Å; F148-Q151 HydrophobicContact CZ-CG 4.01Å; F148-Q151 WeakPolarHBondContact O-CB 3.42Å; F148-Q151 PolarHBondContact O-N 2.84Å; A149-Q151 PolarHBondContact O-N 2.89Å; Q151-K176 VanDerWaalsContact C-NZ 3.33Å; Q151-K176 WeakPolarHBondContact O-CE 3.43Å; Q151-K176 PolarHBondContact O-NZ 2.99Å
152	D	83.9	Confident	82.9	Confident	99 Å²	99	39.5 Å²	39.5	53%	0.529	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-6.6	178.8	-74.7	-37.8	0	0	0	115.2	P119 R125 E150	P119-D152 WeakPolarHBondContact CG-OD1 3.29Å; R125-D152 PolarHBondContact NH1-O 3.27Å; R125-D152 PolarHBondContact NH2-O 2.81Å; E150-D152 PolarHBondContact O-N 3.42Å
153	T	84.7	Confident	81.7	Confident	20 Å²	20	43 Å²	43	12%	0.123	25%	0.246	C	C	.	.	S	Bend	trans	-57.4	154.7	-179.9	50.7	0	0	0	0	113.3	E150 K176	E150-T153 HydrophobicContact CB-CG2 3.75Å; E150-T153 HydrophobicContact CG-CG2 4.43Å; E150-T153 WeakPolarHBondContact O-CB 3.47Å; E150-T153 WeakPolarHBondContact O-CG2 3.45Å; E150-T153 PolarHBondContact O-N 2.82Å; E150-T153 PolarHBondContact O-OG1 2.97Å; E150-T153 WeakPolarHBondContact OE2-CG2 3.41Å; T153-K176 PolarHBondContact O-NZ 2.9Å; T153-K176 WeakPolarHBondContact OG1-CD 3.4Å; T153-K176 WeakPolarHBondContact OG1-CE 3.43Å; T153-K176 PolarHBondContact OG1-NZ 2.82Å
154	C	83.6	Confident	80.6	Confident	4 Å²	4	45.2 Å²	45.2	3%	0.027	25%	0.254	C	S	.	.			trans	-71.6	135.4	175.7	-177	0	0	0	0	110.6	G156 M172 P504 S544 C546	C154-G156 PolarHBondContact O-N 3.34Å; C154-M172 HydrophobicContact CB-CE 3.55Å; C154-M172 WeakPolarHBondContact O-CE 3.45Å; C154-P504 HydrophobicContact CB-CG 3.84Å; C154-S544 PolarHBondContact SG-OG 3.41Å; C154-S544 VanDerWaalsContact SG-OG 3.4Å; C154-C546 HydrophobicContact CB-CB 3.83Å
155	C	78.3	Confident	79.6	Confident	16 Å²	16	42.1 Å²	42.1	11%	0.108	24%	0.24	C	C	.	.			trans	-69.5	-4.8	177.3	57	0	0	0	0	115.7	F157 V173 I195	C155-F157 PolarHBondContact O-N 2.8Å; C155-V173 WeakPolarHBondContact O-CG2 3Å; C155-I195 HydrophobicContact CB-CD1 4.41Å
156	G	74.5	Confident	78.5	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	25%	0.249	C	C	.	.	S	Bend	trans	92.7	-25	-176.8	0	0	0	0	0	114.6	C154 G158 F161 S169	C154-G156 PolarHBondContact O-N 3.34Å; G156-G158 PolarHBondContact O-N 3.37Å; G156-F161 WeakPolarHBondContact O-CD1 3.47Å; G156-F161 WeakPolarHBondContact O-CE1 3.22Å; G156-S169 VanDerWaalsContact C-OG 3.28Å; G156-S169 PolarHBondContact O-OG 3.45Å
157	F	73.5	Confident	77.3	Confident	105 Å²	105	47.8 Å²	47.8	46%	0.461	27%	0.274	S	S	.	.			trans	-71	21.5	-172.9	-164.8	-110.8	0	0	0	116.4	C155 G159	C155-F157 PolarHBondContact O-N 2.8Å; F157-G159 VanDerWaalsContact C-N 3.34Å; F157-G159 PolarHBondContact O-N 2.9Å
158	G	68.7	Low	76.5	Confident	12 Å²	12	43.4 Å²	43.4	12%	0.124	25%	0.246	C	C	.	.			trans	-67.8	70.2	-167.8	0	0	0	0	0	116.5	G156 F161 S544	G156-G158 PolarHBondContact O-N 3.37Å; G158-F161 WeakPolarHBondContact O-CB 3.39Å; G158-F161 PolarHBondContact O-N 3.38Å; G158-S544 WeakPolarHBondContact CA-O 3.49Å
159	G	68.6	Low	75.6	Confident	24 Å²	24	43.1 Å²	43.1	25%	0.247	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.8	-140	-174.4	0	0	0	0	0	111.6	F157 F161 S162	F157-G159 VanDerWaalsContact C-N 3.34Å; F157-G159 PolarHBondContact O-N 2.9Å; G159-F161 PolarHBondContact O-N 2.68Å; G159-F161 VanDerWaalsContact O-N 3.12Å; G159-S162 PolarHBondContact O-N 2.84Å; G159-S162 VanDerWaalsContact O-N 3.11Å; G159-S162 PolarHBondContact O-OG 2.85Å
160	T	73.5	Confident	74.8	Confident	26 Å²	26	41.2 Å²	41.2	16%	0.16	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-5.6	-178.9	44.2	0	0	0	0	115.1	S32 S162 V163 K164	S32-T160 WeakPolarHBondContact OG-CB 3.31Å; S32-T160 WeakPolarHBondContact OG-CG2 3.48Å; S32-T160 PolarHBondContact OG-OG1 3.23Å; T160-S162 PolarHBondContact O-N 3.08Å; T160-V163 PolarHBondContact O-N 3.35Å; T160-V163 VanDerWaalsContact O-N 3.09Å; T160-K164 WeakPolarHBondContact O-CB 3.01Å; T160-K164 PolarHBondContact O-N 2.98Å
161	F	76	Confident	74.5	Confident	1 Å²	1	39.1 Å²	39.1	0%	0.004	22%	0.221	C	C	.	.	H	α-helix	trans	-57.7	-38	165	169.8	-91.2	0	0	0	111.1	G156 G158 G159 V163 M165 I168 M172 A505 Y541 C543	G156-F161 WeakPolarHBondContact O-CD1 3.47Å; G156-F161 WeakPolarHBondContact O-CE1 3.22Å; G158-F161 WeakPolarHBondContact O-CB 3.39Å; G158-F161 PolarHBondContact O-N 3.38Å; G159-F161 PolarHBondContact O-N 2.68Å; G159-F161 VanDerWaalsContact O-N 3.12Å; F161-V163 PolarHBondContact O-N 3.25Å; F161-V163 VanDerWaalsContact O-N 3.1Å; F161-M165 HydrophobicContact CD2-CB 3.69Å; F161-M165 HydrophobicContact CD2-CG 3.84Å; F161-M165 HydrophobicContact CE2-CB 3.68Å; F161-M165 HydrophobicContact CE2-CG 4.03Å; F161-M165 HydrophobicContact CG-CB 4.25Å; F161-M165 HydrophobicContact CZ-CB 4.24Å; F161-M165 CarbonylContact O-C 3.6Å; F161-M165 VanDerWaalsContact O-C 3.31Å; F161-M165 VanDerWaalsContact O-CA 3.29Å; F161-M165 WeakPolarHBondContact O-CA 3.49Å; F161-M165 WeakPolarHBondContact O-CB 3.37Å; F161-M165 PolarHBondContact O-N 3.44Å; F161-I168 HydrophobicContact CE2-CG2 4.49Å; F161-I168 HydrophobicContact CZ-CB 4.05Å; F161-I168 HydrophobicContact CZ-CG2 3.91Å; F161-M172 HydrophobicContact CE1-CE 4.49Å; F161-M172 HydrophobicContact CE1-SD 3.63Å; F161-M172 HydrophobicContact CZ-SD 3.69Å; F161-A505 HydrophobicContact CE2-CB 4.31Å; F161-A505 HydrophobicContact CZ-CB 4.29Å; F161-Y541 WeakPolarHBondContact CD2-O 3.38Å; F161-C543 WeakPolarHBondContact CB-O 3.18Å; F161-C543 VanDerWaalsContact CD2-C 3.47Å
162	S	70.6	Confident	74.3	Confident	25 Å²	25	37.7 Å²	37.7	18%	0.175	22%	0.215	C	C	.	.	H	α-helix	trans	-68	-9.7	176.8	63.7	0	0	0	0	114.9	G159 T160 A166	G159-S162 PolarHBondContact O-N 2.84Å; G159-S162 VanDerWaalsContact O-N 3.11Å; G159-S162 PolarHBondContact O-OG 2.85Å; T160-S162 PolarHBondContact O-N 3.08Å; S162-A166 WeakPolarHBondContact O-CA 3.42Å
163	V	69.8	Low	73.8	Confident	113 Å²	113	33.3 Å²	33.3	69%	0.685	19%	0.192	S	C	*	.	H	α-helix	trans	-108.2	-44.9	178.5	-178.2	0	0	0	0	111.1	T160 F161	T160-V163 PolarHBondContact O-N 3.35Å; T160-V163 VanDerWaalsContact O-N 3.09Å; F161-V163 PolarHBondContact O-N 3.25Å; F161-V163 VanDerWaalsContact O-N 3.1Å
164	K	72.1	Confident	73.4	Confident	70 Å²	70	35.6 Å²	35.6	30%	0.304	20%	0.2	S	C	.	.	H	α-helix	trans	-77.7	-31.2	179.3	-71.7	-168.7	169.6	-165.1	0	113.6	T160 Y541 E580	T160-K164 WeakPolarHBondContact O-CB 3.01Å; T160-K164 PolarHBondContact O-N 2.98Å; K164-Y541 HydrophobicContact CD-CD1 3.56Å; K164-Y541 HydrophobicContact CD-CD2 4.32Å; K164-Y541 HydrophobicContact CD-CE1 4.12Å; K164-Y541 HydrophobicContact CD-CG 3.69Å; K164-Y541 VanDerWaalsContact NZ-CE1 3.32Å; K164-E580 VanDerWaalsContact CE-CD 3.48Å; K164-E580 WeakPolarHBondContact CE-OE2 3.48Å; K164-E580 IonicContact NZ-OE1 2.95Å; K164-E580 PolarHBondContact NZ-OE1 2.88Å; K164-E580 IonicContact NZ-OE2 3.72Å; K164-E580 PolarHBondContact NZ-OE2 3.15Å
165	M	75.6	Confident	73.2	Confident	35 Å²	35	37.2 Å²	37.2	17%	0.172	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-124.6	43.3	-177.7	-58.7	-67.4	171	0	0	108.8	F161 E167 I168 S169 D538 A542	F161-M165 HydrophobicContact CD2-CB 3.69Å; F161-M165 HydrophobicContact CD2-CG 3.84Å; F161-M165 HydrophobicContact CE2-CB 3.68Å; F161-M165 HydrophobicContact CE2-CG 4.03Å; F161-M165 HydrophobicContact CG-CB 4.25Å; F161-M165 HydrophobicContact CZ-CB 4.24Å; F161-M165 CarbonylContact O-C 3.6Å; F161-M165 VanDerWaalsContact O-C 3.31Å; F161-M165 VanDerWaalsContact O-CA 3.29Å; F161-M165 WeakPolarHBondContact O-CA 3.49Å; F161-M165 WeakPolarHBondContact O-CB 3.37Å; F161-M165 PolarHBondContact O-N 3.44Å; M165-E167 PolarHBondContact O-N 2.89Å; M165-I168 HydrophobicContact CB-CB 4.35Å; M165-I168 HydrophobicContact CB-CD1 4.11Å; M165-I168 HydrophobicContact CB-CG1 4.37Å; M165-I168 HydrophobicContact CG-CD1 4.39Å; M165-I168 PolarHBondContact O-N 3.29Å; M165-I168 VanDerWaalsContact O-N 3.13Å; M165-I168 HydrophobicContact SD-CD1 3.94Å; M165-S169 WeakPolarHBondContact O-CB 3.46Å; M165-S169 PolarHBondContact O-N 3.14Å; M165-D538 HydrophobicContact CE-CB 4.41Å; M165-A542 HydrophobicContact CE-CB 4.14Å
166	A	69.8	Low	73.4	Confident	54 Å²	54	36.6 Å²	36.6	45%	0.446	20%	0.203	S	C	.	.	H	α-helix	trans	-55.6	-36.7	-170.4	0	0	0	0	0	112.8	S162 G170	S162-A166 WeakPolarHBondContact O-CA 3.42Å; A166-G170 PolarHBondContact O-N 3.49Å
167	E	68.4	Low	73.7	Confident	143 Å²	143	39 Å²	39	67%	0.668	22%	0.217	S	C	*	.	H	α-helix	trans	-67.2	-48.7	178.6	-55.1	-179.1	160.2	0	0	111.2	M165 S169 G170 E171 I199	M165-E167 PolarHBondContact O-N 2.89Å; E167-S169 PolarHBondContact O-N 3.18Å; E167-G170 WeakPolarHBondContact O-CA 3.34Å; E167-G170 PolarHBondContact O-N 2.92Å; E167-G170 VanDerWaalsContact O-N 3.09Å; E167-E171 PolarHBondContact O-N 3.33Å; E167-I199 HydrophobicContact CB-CD1 3.57Å; E167-I199 HydrophobicContact CB-CG1 3.58Å
168	I	73.6	Confident	74.1	Confident	17 Å²	17	36.5 Å²	36.5	9%	0.087	22%	0.215	C	C	.	.	H	α-helix	trans	-65.9	-39.1	175.9	-45.6	176	0	0	0	111	F161 M165 G170 E171 M172 I199 A505 H508 I509	F161-I168 HydrophobicContact CE2-CG2 4.49Å; F161-I168 HydrophobicContact CZ-CB 4.05Å; F161-I168 HydrophobicContact CZ-CG2 3.91Å; M165-I168 HydrophobicContact CB-CB 4.35Å; M165-I168 HydrophobicContact CB-CD1 4.11Å; M165-I168 HydrophobicContact CB-CG1 4.37Å; M165-I168 HydrophobicContact CG-CD1 4.39Å; M165-I168 PolarHBondContact O-N 3.29Å; M165-I168 VanDerWaalsContact O-N 3.13Å; M165-I168 HydrophobicContact SD-CD1 3.94Å; I168-G170 PolarHBondContact O-N 2.87Å; I168-E171 WeakPolarHBondContact O-CB 3.46Å; I168-E171 PolarHBondContact O-N 2.87Å; I168-M172 WeakPolarHBondContact O-CG 3.37Å; I168-M172 PolarHBondContact O-N 2.9Å; I168-I199 HydrophobicContact CG1-CD1 4.08Å; I168-A505 HydrophobicContact CG2-CB 4.32Å; I168-H508 HydrophobicContact CG2-CB 4.39Å; I168-I509 HydrophobicContact CD1-CD1 4.14Å; I168-I509 HydrophobicContact CD1-CG2 3.63Å; I168-I509 HydrophobicContact CG1-CG2 3.74Å; I168-I509 HydrophobicContact CG2-CG2 4.02Å
169	S	69.2	Low	74.9	Confident	11 Å²	11	37.3 Å²	37.3	8%	0.077	22%	0.216	C	C	.	.	H	α-helix	trans	-59.1	-40	171.8	175.3	0	0	0	0	111.2	G156 M165 E167 V173	G156-S169 VanDerWaalsContact C-OG 3.28Å; G156-S169 PolarHBondContact O-OG 3.45Å; M165-S169 WeakPolarHBondContact O-CB 3.46Å; M165-S169 PolarHBondContact O-N 3.14Å; E167-S169 PolarHBondContact O-N 3.18Å; S169-V173 VanDerWaalsContact O-CB 3.24Å; S169-V173 WeakPolarHBondContact O-CB 3.4Å; S169-V173 VanDerWaalsContact O-CG2 3.24Å; S169-V173 WeakPolarHBondContact O-CG2 3.46Å; S169-V173 PolarHBondContact O-N 3.16Å
170	G	68	Low	75.6	Confident	6 Å²	6	37 Å²	37	6%	0.062	21%	0.208	C	C	.	.	H	α-helix	trans	-71.1	-24.4	-179.8	0	0	0	0	0	114.8	A166 E167 I168 V173 K174 Q197 Q198	A166-G170 PolarHBondContact O-N 3.49Å; E167-G170 WeakPolarHBondContact O-CA 3.34Å; E167-G170 PolarHBondContact O-N 2.92Å; E167-G170 VanDerWaalsContact O-N 3.09Å; I168-G170 PolarHBondContact O-N 2.87Å; G170-V173 WeakPolarHBondContact O-CB 3.43Å; G170-V173 WeakPolarHBondContact O-CG1 3.32Å; G170-K174 PolarHBondContact O-N 2.9Å; G170-Q197 VanDerWaalsContact C-C 3.41Å; G170-Q197 CarbonylContact C-O 3.52Å; G170-Q197 VanDerWaalsContact C-O 3.24Å; G170-Q197 WeakPolarHBondContact CA-O 3.5Å; G170-Q197 CarbonylContact O-C 3.6Å; G170-Q197 PolarHBondContact O-N 3.01Å; G170-Q198 PolarHBondContact O-N 3.21Å
171	E	76.5	Confident	76.1	Confident	6 Å²	6	40.7 Å²	40.7	3%	0.028	23%	0.225	C	C	.	.	H	α-helix	trans	-67	-57.5	167.3	-80	-68.8	124.8	0	0	113.5	E167 I168 V173 K174 E175 Q198 I199 R205 H508	E167-E171 PolarHBondContact O-N 3.33Å; I168-E171 WeakPolarHBondContact O-CB 3.46Å; I168-E171 PolarHBondContact O-N 2.87Å; E171-V173 CarbonylContact O-C 3.5Å; E171-V173 PolarHBondContact O-N 3.22Å; E171-K174 WeakPolarHBondContact O-CA 2.88Å; E171-K174 PolarHBondContact O-N 2.94Å; E171-E175 PolarHBondContact O-N 2.93Å; E171-Q198 WeakPolarHBondContact OE1-CA 3.1Å; E171-Q198 WeakPolarHBondContact OE1-CB 3.48Å; E171-Q198 WeakPolarHBondContact OE1-CG 3.46Å; E171-I199 HydrophobicContact CG-CB 3.47Å; E171-I199 VanDerWaalsContact CG-CB 3.47Å; E171-I199 HydrophobicContact CG-CD1 4.09Å; E171-I199 HydrophobicContact CG-CG1 4.11Å; E171-I199 HydrophobicContact CG-CG2 3.79Å; E171-I199 WeakPolarHBondContact OE1-CA 3.11Å; E171-I199 WeakPolarHBondContact OE1-CB 3.45Å; E171-R205 IonicContact OE1-CZ 2.97Å; E171-R205 IonicContact OE1-NH1 3.56Å; E171-R205 PolarHBondContact OE1-NH1 3Å; E171-R205 WeakPolarHBondContact OE2-CD 3.4Å; E171-R205 IonicContact OE2-CZ 3.88Å; E171-R205 IonicContact OE2-NE 2.88Å; E171-R205 IonicContact OE2-NH1 3.36Å; E171-R205 PolarHBondContact OE2-NH1 3.27Å; E171-H508 HydrophobicContact CB-CB 3.79Å; E171-H508 HydrophobicContact CG-CB 3.89Å; E171-H508 IonicContact OE2-ND1 3.94Å; E171-H508 PolarHBondContact OE2-ND1 2.95Å
172	M	80.2	Confident	76.7	Confident	5 Å²	5	46.5 Å²	46.5	3%	0.025	25%	0.253	C	S	.	.	H	α-helix	trans	-53.7	-41.7	-177.7	-62.2	167.3	56.4	0	0	110.3	C154 F161 I168 K176 P504 H508	C154-M172 HydrophobicContact CB-CE 3.55Å; C154-M172 WeakPolarHBondContact O-CE 3.45Å; F161-M172 HydrophobicContact CE1-CE 4.49Å; F161-M172 HydrophobicContact CE1-SD 3.63Å; F161-M172 HydrophobicContact CZ-SD 3.69Å; I168-M172 WeakPolarHBondContact O-CG 3.37Å; I168-M172 PolarHBondContact O-N 2.9Å; M172-K176 WeakPolarHBondContact O-CB 3.32Å; M172-K176 PolarHBondContact O-N 3.31Å; M172-K176 VanDerWaalsContact O-N 3.13Å; M172-P504 HydrophobicContact CE-CB 3.8Å; M172-P504 HydrophobicContact CE-CG 3.52Å; M172-P504 HydrophobicContact CG-CB 4.29Å; M172-P504 HydrophobicContact SD-CB 4.44Å; M172-P504 HydrophobicContact SD-CG 4.5Å; M172-H508 WeakPolarHBondContact CA-NE2 3.39Å; M172-H508 WeakPolarHBondContact CG-CD2 3.23Å; M172-H508 VanDerWaalsContact CG-NE2 3.27Å; M172-H508 WeakPolarHBondContact CG-NE2 3.43Å; M172-H508 PolarHBondContact N-NE2 2.67Å
173	V	74.7	Confident	77.7	Confident	7 Å²	7	47.4 Å²	47.4	4%	0.042	26%	0.257	C	S	.	.	H	α-helix	trans	-52.4	-48.9	167.2	140.8	0	0	0	0	114.1	C155 S169 G170 E171 V177 I195	C155-V173 WeakPolarHBondContact O-CG2 3Å; S169-V173 VanDerWaalsContact O-CB 3.24Å; S169-V173 WeakPolarHBondContact O-CB 3.4Å; S169-V173 VanDerWaalsContact O-CG2 3.24Å; S169-V173 WeakPolarHBondContact O-CG2 3.46Å; S169-V173 PolarHBondContact O-N 3.16Å; G170-V173 WeakPolarHBondContact O-CB 3.43Å; G170-V173 WeakPolarHBondContact O-CG1 3.32Å; E171-V173 CarbonylContact O-C 3.5Å; E171-V173 PolarHBondContact O-N 3.22Å; V173-V177 VanDerWaalsContact O-CG2 3.31Å; V173-V177 WeakPolarHBondContact O-CG2 3.49Å; V173-V177 PolarHBondContact O-N 2.67Å; V173-V177 VanDerWaalsContact O-N 3.12Å; V173-I195 HydrophobicContact CB-CG2 3.95Å; V173-I195 HydrophobicContact CG1-CB 4.46Å; V173-I195 HydrophobicContact CG1-CG2 3.67Å; V173-I195 HydrophobicContact CG2-CB 4.19Å; V173-I195 HydrophobicContact CG2-CG1 4.44Å; V173-I195 HydrophobicContact CG2-CG2 3.91Å; V173-I195 VanDerWaalsContact O-CG2 3.29Å; V173-I195 WeakPolarHBondContact O-CG2 3.35Å
174	K	75.1	Confident	78.5	Confident	67 Å²	67	51.2 Å²	51.2	29%	0.291	26%	0.259	S	S	.	.	H	α-helix	trans	-80.7	-41.2	-171.3	-119.7	-170.2	-170.3	167.8	0	111.6	G170 E171 K176 V177 A178 Q198	G170-K174 PolarHBondContact O-N 2.9Å; E171-K174 WeakPolarHBondContact O-CA 2.88Å; E171-K174 PolarHBondContact O-N 2.94Å; K174-K176 VanDerWaalsContact C-N 3.3Å; K174-K176 PolarHBondContact O-N 3.04Å; K174-V177 PolarHBondContact O-N 3.35Å; K174-A178 PolarHBondContact O-N 3.45Å; K174-Q198 HydrophobicContact CD-CB 3.86Å; K174-Q198 HydrophobicContact CD-CG 3.51Å
175	E	80.9	Confident	79.1	Confident	38 Å²	38	48.8 Å²	48.8	18%	0.178	25%	0.25	C	S	.	.	H	α-helix	trans	-58.1	-46.4	171.5	-172.6	-165.5	119.6	0	0	110.1	E171 V177 A178 H179 R507 H508	E171-E175 PolarHBondContact O-N 2.93Å; E175-V177 VanDerWaalsContact C-N 3.27Å; E175-V177 PolarHBondContact O-N 2.93Å; E175-A178 WeakPolarHBondContact O-CB 3.35Å; E175-A178 PolarHBondContact O-N 3.28Å; E175-H179 PolarHBondContact O-N 3.18Å; E175-H179 VanDerWaalsContact O-N 3.16Å; E175-H179 PolarHBondContact O-ND1 3.28Å; E175-H179 IonicContact OE1-CE1 3.84Å; E175-H179 IonicContact OE1-ND1 2.67Å; E175-R507 IonicContact OE1-CZ 3.06Å; E175-R507 IonicContact OE1-NH1 2.75Å; E175-R507 PolarHBondContact OE1-NH1 3.12Å; E175-R507 WeakPolarHBondContact OE2-CD 3.3Å; E175-H508 IonicContact OE2-CE1 3.43Å; E175-H508 PolarHBondContact OE2-CE1 3.26Å; E175-H508 IonicContact OE2-ND1 3.02Å; E175-H508 IonicContact OE2-NE2 3.7Å
176	K	82.2	Confident	79.7	Confident	4 Å²	4	52.9 Å²	52.9	2%	0.017	27%	0.269	C	S	.	.	H	α-helix	trans	-66.2	-28.2	178.6	-164.8	159.3	-160.8	152.5	0	113.7	H118 F148 E150 Q151 T153 M172 K174 L180	H118-K176 WeakPolarHBondContact ND1-CE 3.36Å; F148-K176 HydrophobicContact CE2-CG 4.07Å; E150-K176 PolarHBondContact O-NZ 3.44Å; Q151-K176 VanDerWaalsContact C-NZ 3.33Å; Q151-K176 WeakPolarHBondContact O-CE 3.43Å; Q151-K176 PolarHBondContact O-NZ 2.99Å; T153-K176 PolarHBondContact O-NZ 2.9Å; T153-K176 WeakPolarHBondContact OG1-CD 3.4Å; T153-K176 WeakPolarHBondContact OG1-CE 3.43Å; T153-K176 PolarHBondContact OG1-NZ 2.82Å; M172-K176 WeakPolarHBondContact O-CB 3.32Å; M172-K176 PolarHBondContact O-N 3.31Å; M172-K176 VanDerWaalsContact O-N 3.13Å; K174-K176 VanDerWaalsContact C-N 3.3Å; K174-K176 PolarHBondContact O-N 3.04Å; K176-L180 WeakPolarHBondContact O-CB 3.49Å; K176-L180 PolarHBondContact O-N 2.68Å
177	V	79.5	Confident	80.5	Confident	51 Å²	51	54.7 Å²	54.7	31%	0.309	27%	0.265	S	S	.	.	H	α-helix	trans	-71.9	-35.8	169.6	168.7	0	0	0	0	111.8	V173 K174 E175 L180 M181 I195	V173-V177 VanDerWaalsContact O-CG2 3.31Å; V173-V177 WeakPolarHBondContact O-CG2 3.49Å; V173-V177 PolarHBondContact O-N 2.67Å; V173-V177 VanDerWaalsContact O-N 3.12Å; K174-V177 PolarHBondContact O-N 3.35Å; E175-V177 VanDerWaalsContact C-N 3.27Å; E175-V177 PolarHBondContact O-N 2.93Å; V177-L180 PolarHBondContact O-N 3.22Å; V177-M181 HydrophobicContact CG1-CG 3.94Å; V177-M181 WeakPolarHBondContact O-CB 3.11Å; V177-M181 WeakPolarHBondContact O-CG 3.4Å; V177-M181 PolarHBondContact O-N 3.33Å; V177-I195 HydrophobicContact CG2-CG2 3.37Å
178	A	83.8	Confident	81.1	Confident	51 Å²	51	51.8 Å²	51.8	42%	0.421	25%	0.253	S	S	.	.	H	α-helix	trans	-60.4	-57.9	177.4	0	0	0	0	0	110.8	K174 E175 L180 M181 E182	K174-A178 PolarHBondContact O-N 3.45Å; E175-A178 WeakPolarHBondContact O-CB 3.35Å; E175-A178 PolarHBondContact O-N 3.28Å; A178-L180 VanDerWaalsContact C-N 3.27Å; A178-L180 PolarHBondContact O-N 2.65Å; A178-M181 PolarHBondContact O-N 3.46Å; A178-E182 WeakPolarHBondContact O-CG 3.23Å; A178-E182 PolarHBondContact O-N 3.15Å; A178-E182 VanDerWaalsContact O-N 3.09Å
179	H	85.6	Confident	81.6	Confident	30 Å²	30	53.1 Å²	53.1	14%	0.139	26%	0.26	C	S	.	.	H	α-helix	trans	-58.3	-36.9	177.1	-61	134	0	0	0	113	F148 A149 E175 E182	F148-H179 HydrophobicContact CD2-CB 4.05Å; A149-H179 HydrophobicContact CB-CB 4.09Å; A149-H179 VanDerWaalsContact O-CB 3.3Å; A149-H179 WeakPolarHBondContact O-CB 3.38Å; E175-H179 PolarHBondContact O-N 3.18Å; E175-H179 VanDerWaalsContact O-N 3.16Å; E175-H179 PolarHBondContact O-ND1 3.28Å; E175-H179 IonicContact OE1-CE1 3.84Å; E175-H179 IonicContact OE1-ND1 2.67Å; H179-E182 IonicContact CD2-OE1 3.13Å; H179-E182 IonicContact CD2-OE2 3.27Å
180	L	81.8	Confident	81.8	Confident	16 Å²	16	53.8 Å²	53.8	8%	0.084	27%	0.269	C	S	.	.	H	α-helix	trans	-64	-41.5	174.5	174.2	152.2	0	0	0	112.3	V116 F148 K176 V177 A178 P185 L188	V116-L180 HydrophobicContact CG2-CD1 3.64Å; V116-L180 HydrophobicContact CG2-CG 3.85Å; F148-L180 HydrophobicContact CD2-CB 4.19Å; F148-L180 HydrophobicContact CE2-CB 4.18Å; K176-L180 WeakPolarHBondContact O-CB 3.49Å; K176-L180 PolarHBondContact O-N 2.68Å; V177-L180 PolarHBondContact O-N 3.22Å; A178-L180 VanDerWaalsContact C-N 3.27Å; A178-L180 PolarHBondContact O-N 2.65Å; L180-P185 HydrophobicContact CD2-CG 3.8Å; L180-P185 HydrophobicContact CG-CG 4.08Å; L180-P185 WeakPolarHBondContact O-CD 3.5Å; L180-L188 HydrophobicContact CD1-CB 4.4Å; L180-L188 HydrophobicContact CD1-CD1 3.8Å; L180-L188 HydrophobicContact CD1-CD2 3.93Å; L180-L188 HydrophobicContact CD1-CG 4.25Å
181	M	84.7	Confident	81.2	Confident	105 Å²	105	54.4 Å²	54.4	52%	0.517	27%	0.273	S	S	.	.	H	α-helix	trans	-78.7	-19.5	-176.1	-71.1	-59.8	-55.3	0	0	113.2	V177 A178 V183 R184	V177-M181 HydrophobicContact CG1-CG 3.94Å; V177-M181 WeakPolarHBondContact O-CB 3.11Å; V177-M181 WeakPolarHBondContact O-CG 3.4Å; V177-M181 PolarHBondContact O-N 3.33Å; A178-M181 PolarHBondContact O-N 3.46Å; M181-V183 VanDerWaalsContact C-N 3.31Å; M181-V183 PolarHBondContact O-N 3.47Å; M181-R184 WeakPolarHBondContact O-CA 3.48Å; M181-R184 WeakPolarHBondContact O-CG 2.91Å; M181-R184 PolarHBondContact O-N 3.43Å
182	E	89.5	Confident	80	Confident	123 Å²	123	56 Å²	56	58%	0.575	28%	0.283	S	S	*	.	H	α-helix	trans	-55.7	-44	173.1	-75.1	165.1	-178.1	0	0	111.9	A178 H179 R184	A178-E182 WeakPolarHBondContact O-CG 3.23Å; A178-E182 PolarHBondContact O-N 3.15Å; A178-E182 VanDerWaalsContact O-N 3.09Å; H179-E182 IonicContact CD2-OE1 3.13Å; H179-E182 IonicContact CD2-OE2 3.27Å; E182-R184 VanDerWaalsContact C-N 3.26Å; E182-R184 PolarHBondContact O-N 3.05Å
183	V	89.6	Confident	77.9	Confident	43 Å²	43	60.8 Å²	60.8	26%	0.261	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-2	177.3	-52.9	0	0	0	0	113.6	R114 V116 L146 F148 M181	R114-V183 PolarHBondContact NH2-O 3.28Å; V116-V183 HydrophobicContact CG1-CG2 3.72Å; L146-V183 HydrophobicContact CB-CG2 4.16Å; L146-V183 HydrophobicContact CD1-CB 4.19Å; L146-V183 HydrophobicContact CD1-CG2 4Å; F148-V183 HydrophobicContact CB-CG1 4.35Å; F148-V183 HydrophobicContact CB-CG2 4.14Å; M181-V183 VanDerWaalsContact C-N 3.31Å; M181-V183 PolarHBondContact O-N 3.47Å
184	R	87.4	Confident	75.9	Confident	193 Å²	193	69.2 Å²	69.2	73%	0.728	34%	0.343	S	S	*	.			trans	50.8	54.9	175.1	-52.8	177.7	-170.6	177.9	2	114.9	R114 M181 E182	R114-R184 PolarHBondContact NH2-O 2.82Å; M181-R184 WeakPolarHBondContact O-CA 3.48Å; M181-R184 WeakPolarHBondContact O-CG 2.91Å; M181-R184 PolarHBondContact O-N 3.43Å; E182-R184 VanDerWaalsContact C-N 3.26Å; E182-R184 PolarHBondContact O-N 3.05Å
185	P	85.1	Confident	73.9	Confident	20 Å²	20	68.1 Å²	68.1	13%	0.13	34%	0.34	C	S	.	.			trans	-70.6	148.5	178.9	31.2	-33.9	0	0	0	111.5	V116 L180	V116-P185 HydrophobicContact CG1-CB 4.02Å; V116-P185 HydrophobicContact CG1-CG 4.03Å; V116-P185 HydrophobicContact CG2-CB 4.13Å; V116-P185 HydrophobicContact CG2-CG 3.88Å; L180-P185 HydrophobicContact CD2-CG 3.8Å; L180-P185 HydrophobicContact CG-CG 4.08Å; L180-P185 WeakPolarHBondContact O-CD 3.5Å
186	E	87.8	Confident	71.4	Confident	120 Å²	120	76.8 Å²	76.8	56%	0.561	37%	0.371	S	S	*	.	S	Bend	trans	-81.4	-31.9	169.5	-65.9	163.1	-90.2	0	0	110.7	G113 R114	G113-E186 VanDerWaalsContact CA-OE1 3.23Å; G113-E186 WeakPolarHBondContact CA-OE1 3.12Å; R114-E186 PolarHBondContact N-OE1 3.47Å; R114-E186 PolarHBondContact O-N 2.87Å
187	Y	86.6	Confident	68.8	Low	93 Å²	93	82.2 Å²	82.2	37%	0.365	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	136.9	-178.2	-52.1	-80.5	0	0	0	112.8	L111 Q112 R114 A115 V116	L111-Y187 HydrophobicContact CD1-CE1 4.1Å; L111-Y187 HydrophobicContact CD1-CE2 4Å; L111-Y187 HydrophobicContact CD2-CD1 4.44Å; L111-Y187 HydrophobicContact CD2-CD2 4.12Å; L111-Y187 HydrophobicContact CD2-CE2 4.3Å; L111-Y187 HydrophobicContact CD2-CG 4.2Å; L111-Y187 HydrophobicContact CG-CD2 4.37Å; L111-Y187 HydrophobicContact CG-CE2 4.09Å; Q112-Y187 WeakPolarHBondContact O-CE2 3.44Å; R114-Y187 PolarHBondContact O-N 3.03Å; R114-Y187 VanDerWaalsContact O-N 3.14Å; A115-Y187 CarbonylContact C-O 3.55Å; A115-Y187 VanDerWaalsContact CA-O 3.24Å; A115-Y187 WeakPolarHBondContact CA-O 3.41Å; V116-Y187 PolarHBondContact N-O 3.02Å
188	L	81.6	Confident	66.3	Low	81 Å²	81	84.8 Å²	84.8	42%	0.424	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	114.4	166.2	164.6	55.8	0	0	0	108.6	V116 H118 L180	V116-L188 HydrophobicContact CG2-CD1 4.05Å; H118-L188 HydrophobicContact CB-CD1 3.73Å; L180-L188 HydrophobicContact CD1-CB 4.4Å; L180-L188 HydrophobicContact CD1-CD1 3.8Å; L180-L188 HydrophobicContact CD1-CD2 3.93Å; L180-L188 HydrophobicContact CD1-CG 4.25Å
189	I	84.9	Confident	64.3	Low	45 Å²	45	84.2 Å²	84.2	23%	0.231	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	130.2	179.6	-55.3	179.1	0	0	0	109	A115 V116 Y117 H118 L137 L143	A115-I189 HydrophobicContact CB-CD1 3.79Å; A115-I189 HydrophobicContact CB-CG1 4.22Å; V116-I189 PolarHBondContact O-N 2.93Å; Y117-I189 CarbonylContact C-O 3.59Å; Y117-I189 WeakPolarHBondContact CA-O 3.4Å; Y117-I189 HydrophobicContact CD2-CG2 4.44Å; H118-I189 PolarHBondContact N-O 3.27Å; L137-I189 HydrophobicContact CD1-CD1 4.46Å; L137-I189 HydrophobicContact CD1-CG2 4.03Å; L137-I189 HydrophobicContact CD2-CD1 3.72Å; L137-I189 HydrophobicContact CD2-CG2 4.08Å; L143-I189 HydrophobicContact CD2-CD1 4.04Å
190	G	72.1	Confident	62.3	Low	26 Å²	26	91.1 Å²	91.1	27%	0.268	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-173.8	158.2	177.9	0	0	0	0	0	113.3
191	A	55.9	Low	61.5	Low	18 Å²	18	94 Å²	94	15%	0.149	44%	0.442	C	S	.	.	S	Bend	trans	-80.5	-15.9	-175.5	0	0	0	0	0	114.8
192	D	51	Low	60.6	Low	41 Å²	41	93.2 Å²	93.2	22%	0.219	45%	0.445	C	S	.	.	S	Bend	trans	-135.6	129.4	176.3	-60.9	-84.5	0	0	0	108.7	S62 S120	S62-D192 PolarHBondContact OG-OD1 2.99Å; S120-D192 WeakPolarHBondContact CB-OD2 3.31Å; S120-D192 PolarHBondContact OG-OD2 3.44Å
193	T	35.9	Very low	59.7	Low	105 Å²	105	90.9 Å²	90.9	64%	0.644	44%	0.436	S	S	*	.			trans	-131.3	105.3	-170.6	48.2	0	0	0	0	114.7
194	R	33.8	Very low	59	Low	183 Å²	183	90 Å²	90	69%	0.691	43%	0.429	S	S	*	.			trans	-176.7	123.3	160.3	-102.7	153.8	-151.6	-104.3	2.7	111.3
195	I	33.2	Very low	58.3	Low	45 Å²	45	82 Å²	82	23%	0.231	40%	0.399	C	S	.	.			trans	-153.1	109.4	-169.7	-62.7	-175.1	0	0	0	111.2	C155 V173 V177	C155-I195 HydrophobicContact CB-CD1 4.41Å; V173-I195 HydrophobicContact CB-CG2 3.95Å; V173-I195 HydrophobicContact CG1-CB 4.46Å; V173-I195 HydrophobicContact CG1-CG2 3.67Å; V173-I195 HydrophobicContact CG2-CB 4.19Å; V173-I195 HydrophobicContact CG2-CG1 4.44Å; V173-I195 HydrophobicContact CG2-CG2 3.91Å; V173-I195 VanDerWaalsContact O-CG2 3.29Å; V173-I195 WeakPolarHBondContact O-CG2 3.35Å; V177-I195 HydrophobicContact CG2-CG2 3.37Å
196	R	27.4	Very low	57.8	Low	219 Å²	219	87.9 Å²	87.9	83%	0.826	42%	0.423	S	S	*	.			trans	-171.1	122.7	157.7	-110.6	162.2	-171.2	-166	2.1	119.5
197	Q	27.1	Very low	57.2	Low	119 Å²	119	83.6 Å²	83.6	56%	0.556	41%	0.408	S	S	*	.			trans	104.4	125.6	146.1	-47.8	-158.6	-43	0	0	126.9	G170	G170-Q197 VanDerWaalsContact C-C 3.41Å; G170-Q197 CarbonylContact C-O 3.52Å; G170-Q197 VanDerWaalsContact C-O 3.24Å; G170-Q197 WeakPolarHBondContact CA-O 3.5Å; G170-Q197 CarbonylContact O-C 3.6Å; G170-Q197 PolarHBondContact O-N 3.01Å
198	Q	27.2	Very low	56.6	Low	104 Å²	104	79.2 Å²	79.2	49%	0.486	39%	0.391	S	S	.	.			trans	-43	169.8	170.3	-92.7	163.5	-36	0	0	120.2	G170 E171 K174	G170-Q198 PolarHBondContact O-N 3.21Å; E171-Q198 WeakPolarHBondContact OE1-CA 3.1Å; E171-Q198 WeakPolarHBondContact OE1-CB 3.48Å; E171-Q198 WeakPolarHBondContact OE1-CG 3.46Å; K174-Q198 HydrophobicContact CD-CB 3.86Å; K174-Q198 HydrophobicContact CD-CG 3.51Å
199	I	41.6	Very low	56.4	Low	40 Å²	40	76.2 Å²	76.2	21%	0.205	38%	0.377	C	S	.	.			cis	65.9	144.1	-1.3	-53.3	-173.3	0	0	0	123.7	E167 I168 E171 R205	E167-I199 HydrophobicContact CB-CD1 3.57Å; E167-I199 HydrophobicContact CB-CG1 3.58Å; I168-I199 HydrophobicContact CG1-CD1 4.08Å; E171-I199 HydrophobicContact CG-CB 3.47Å; E171-I199 VanDerWaalsContact CG-CB 3.47Å; E171-I199 HydrophobicContact CG-CD1 4.09Å; E171-I199 HydrophobicContact CG-CG1 4.11Å; E171-I199 HydrophobicContact CG-CG2 3.79Å; E171-I199 WeakPolarHBondContact OE1-CA 3.11Å; E171-I199 WeakPolarHBondContact OE1-CB 3.45Å; I199-R205 PolarHBondContact O-NH1 2.99Å; I199-R205 PolarHBondContact O-NH2 3.33Å; I199-R205 VanDerWaalsContact O-NH2 3.12Å
200	E	44.4	Very low	56.1	Low	175 Å²	175	77.2 Å²	77.2	82%	0.818	38%	0.383	S	S	*	.	S	Bend	trans	-130.9	-17.6	-138.2	-71.8	168.1	169.5	0	0	120	P202 R205	E200-P202 VanDerWaalsContact O-CD 3.24Å; E200-P202 WeakPolarHBondContact O-CD 3.36Å; E200-R205 PolarHBondContact O-NH2 3.27Å
201	D	65	Low	56.5	Low	75 Å²	75	76 Å²	76	40%	0.401	37%	0.371	S	S	.	.			trans	-91.4	105.2	175.2	178.2	-12.1	0	0	0	113	I203 M204 R205	D201-I203 PolarHBondContact OD1-N 2.9Å; D201-M204 PolarHBondContact OD1-N 3.27Å; D201-M204 VanDerWaalsContact OD1-N 3.16Å; D201-M204 VanDerWaalsContact OD2-CB 3.27Å; D201-M204 WeakPolarHBondContact OD2-CB 3.4Å; D201-R205 VanDerWaalsContact C-NH2 3.33Å; D201-R205 VanDerWaalsContact N-NH2 3.17Å; D201-R205 WeakPolarHBondContact O-CB 3.27Å; D201-R205 VanDerWaalsContact O-CG 3.32Å; D201-R205 WeakPolarHBondContact O-CG 3.47Å; D201-R205 PolarHBondContact O-NE 3.11Å; D201-R205 PolarHBondContact O-NH2 2.75Å
202	P	64.5	Low	57.7	Low	89 Å²	89	75.4 Å²	75.4	58%	0.578	37%	0.365	S	S	*	.	H	α-helix	trans	-80.1	-21.7	-175.4	34.5	-36	0	0	0	114.8	E200 K206	E200-P202 VanDerWaalsContact O-CD 3.24Å; E200-P202 WeakPolarHBondContact O-CD 3.36Å; P202-K206 VanDerWaalsContact O-CB 3.22Å; P202-K206 WeakPolarHBondContact O-CB 3.41Å; P202-K206 PolarHBondContact O-N 2.81Å
203	I	71.7	Confident	59.1	Low	75 Å²	75	77 Å²	77	39%	0.385	37%	0.371	S	S	.	.	H	α-helix	trans	-79.9	-55.7	-173.7	-61.7	179.1	0	0	0	109	D201 R205 K206 A207 D342	D201-I203 PolarHBondContact OD1-N 2.9Å; I203-R205 VanDerWaalsContact C-N 3.34Å; I203-R205 PolarHBondContact O-N 3.03Å; I203-K206 PolarHBondContact O-N 3.21Å; I203-K206 VanDerWaalsContact O-N 3.14Å; I203-A207 PolarHBondContact O-N 3.4Å; I203-D342 HydrophobicContact CG2-CB 4.47Å
204	M	75.4	Confident	61.4	Low	24 Å²	24	77.5 Å²	77.5	12%	0.118	36%	0.361	C	S	.	.	H	α-helix	trans	-58.4	-45.8	178.9	176.7	-82.2	-67.9	0	0	111.1	D201 K206 A207 V208 H340	D201-M204 PolarHBondContact OD1-N 3.27Å; D201-M204 VanDerWaalsContact OD1-N 3.16Å; D201-M204 VanDerWaalsContact OD2-CB 3.27Å; D201-M204 WeakPolarHBondContact OD2-CB 3.4Å; M204-K206 PolarHBondContact O-N 3.49Å; M204-A207 PolarHBondContact O-N 3.2Å; M204-V208 HydrophobicContact CG-CG2 4.37Å; M204-V208 WeakPolarHBondContact O-CB 3.22Å; M204-V208 VanDerWaalsContact O-CG2 3.32Å; M204-V208 WeakPolarHBondContact O-CG2 3.29Å; M204-V208 PolarHBondContact O-N 3.12Å; M204-V208 HydrophobicContact SD-CG2 4.03Å; M204-H340 HydrophobicContact CB-CB 4.32Å; M204-H340 HydrophobicContact CG-CB 3.74Å
205	R	71.1	Confident	63.7	Low	26 Å²	26	69.4 Å²	69.4	10%	0.098	33%	0.331	C	S	.	.	H	α-helix	trans	-56.7	-46	175.7	-79.7	-174.4	-70	179.1	-12.8	112.5	E171 I199 E200 D201 I203 A209	E171-R205 IonicContact OE1-CZ 2.97Å; E171-R205 IonicContact OE1-NH1 3.56Å; E171-R205 PolarHBondContact OE1-NH1 3Å; E171-R205 WeakPolarHBondContact OE2-CD 3.4Å; E171-R205 IonicContact OE2-CZ 3.88Å; E171-R205 IonicContact OE2-NE 2.88Å; E171-R205 IonicContact OE2-NH1 3.36Å; E171-R205 PolarHBondContact OE2-NH1 3.27Å; I199-R205 PolarHBondContact O-NH1 2.99Å; I199-R205 PolarHBondContact O-NH2 3.33Å; I199-R205 VanDerWaalsContact O-NH2 3.12Å; E200-R205 PolarHBondContact O-NH2 3.27Å; D201-R205 VanDerWaalsContact C-NH2 3.33Å; D201-R205 VanDerWaalsContact N-NH2 3.17Å; D201-R205 WeakPolarHBondContact O-CB 3.27Å; D201-R205 VanDerWaalsContact O-CG 3.32Å; D201-R205 WeakPolarHBondContact O-CG 3.47Å; D201-R205 PolarHBondContact O-NE 3.11Å; D201-R205 PolarHBondContact O-NH2 2.75Å; I203-R205 VanDerWaalsContact C-N 3.34Å; I203-R205 PolarHBondContact O-N 3.03Å; R205-A209 WeakPolarHBondContact O-CB 3.31Å; R205-A209 PolarHBondContact O-N 2.87Å
206	K	75	Confident	66.1	Low	143 Å²	143	68.9 Å²	68.9	62%	0.622	34%	0.336	S	S	*	.	H	α-helix	trans	-67.6	-42.3	-179.2	-174	-179.8	-180	-173.8	0	111.5	P202 I203 M204 N210	P202-K206 VanDerWaalsContact O-CB 3.22Å; P202-K206 WeakPolarHBondContact O-CB 3.41Å; P202-K206 PolarHBondContact O-N 2.81Å; I203-K206 PolarHBondContact O-N 3.21Å; I203-K206 VanDerWaalsContact O-N 3.14Å; M204-K206 PolarHBondContact O-N 3.49Å; K206-N210 VanDerWaalsContact O-CB 3.29Å; K206-N210 WeakPolarHBondContact O-CB 3.35Å; K206-N210 PolarHBondContact O-N 2.92Å; K206-N210 PolarHBondContact O-ND2 2.85Å
207	A	74.7	Confident	68.8	Low	30 Å²	30	61.3 Å²	61.3	25%	0.248	32%	0.321	C	S	.	.	H	α-helix	trans	-64.2	-47.1	177.9	0	0	0	0	0	111.7	I203 M204 A211 I339	I203-A207 PolarHBondContact O-N 3.4Å; M204-A207 PolarHBondContact O-N 3.2Å; A207-A211 WeakPolarHBondContact O-CB 3.43Å; A207-A211 PolarHBondContact O-N 3Å; A207-I339 WeakPolarHBondContact CB-O 3.42Å
208	V	75.6	Confident	71.7	Confident	1 Å²	1	59.7 Å²	59.7	1%	0.006	32%	0.316	C	S	.	.	H	α-helix	trans	-64.7	-42.5	176.2	176.3	0	0	0	0	111.8	M204 A211 Q212 I339 Y506	M204-V208 HydrophobicContact CG-CG2 4.37Å; M204-V208 WeakPolarHBondContact O-CB 3.22Å; M204-V208 VanDerWaalsContact O-CG2 3.32Å; M204-V208 WeakPolarHBondContact O-CG2 3.29Å; M204-V208 PolarHBondContact O-N 3.12Å; M204-V208 HydrophobicContact SD-CG2 4.03Å; V208-A211 PolarHBondContact O-N 2.92Å; V208-Q212 WeakPolarHBondContact O-CG 3.25Å; V208-Q212 PolarHBondContact O-N 2.79Å; V208-I339 HydrophobicContact CG2-CG1 4.24Å; V208-Y506 HydrophobicContact CG1-CD1 4Å; V208-Y506 HydrophobicContact CG1-CE1 3.62Å
209	A	76.6	Confident	74.8	Confident	17 Å²	17	55.9 Å²	55.9	14%	0.14	30%	0.297	C	S	.	.	H	α-helix	trans	-63.5	-48	177.2	0	0	0	0	0	112.3	R205 A211 Q212 Q213 R507	R205-A209 WeakPolarHBondContact O-CB 3.31Å; R205-A209 PolarHBondContact O-N 2.87Å; A209-A211 PolarHBondContact O-N 3.46Å; A209-Q212 PolarHBondContact O-N 2.8Å; A209-Q213 PolarHBondContact O-N 2.92Å; A209-R507 HydrophobicContact CB-CG 3.95Å
210	N	79.1	Confident	77.1	Confident	66 Å²	66	58 Å²	58	35%	0.353	31%	0.306	S	S	.	.	H	α-helix	trans	-54.8	-40.6	174	-74.4	-16.8	0	0	0	111.6	K206 Q213 R214	K206-N210 VanDerWaalsContact O-CB 3.29Å; K206-N210 WeakPolarHBondContact O-CB 3.35Å; K206-N210 PolarHBondContact O-N 2.92Å; K206-N210 PolarHBondContact O-ND2 2.85Å; N210-Q213 PolarHBondContact O-N 3.27Å; N210-R214 WeakPolarHBondContact O-CG 3.09Å; N210-R214 PolarHBondContact O-N 2.95Å
211	A	79.3	Confident	79.4	Confident	1 Å²	1	56.6 Å²	56.6	1%	0.008	30%	0.297	C	S	.	.	H	α-helix	trans	-69.5	-43.9	179.1	0	0	0	0	0	113.3	A207 V208 A209 Q213 R214 I215 I339 L849	A207-A211 WeakPolarHBondContact O-CB 3.43Å; A207-A211 PolarHBondContact O-N 3Å; V208-A211 PolarHBondContact O-N 2.92Å; A209-A211 PolarHBondContact O-N 3.46Å; A211-Q213 PolarHBondContact O-N 3.47Å; A211-R214 PolarHBondContact O-N 2.98Å; A211-I215 HydrophobicContact CB-CD1 4.46Å; A211-I215 WeakPolarHBondContact O-CB 3.05Å; A211-I215 VanDerWaalsContact O-CG1 3.28Å; A211-I215 WeakPolarHBondContact O-CG1 3.34Å; A211-I215 PolarHBondContact O-N 3.47Å; A211-I339 HydrophobicContact CB-CD1 3.24Å; A211-I339 HydrophobicContact CB-CG1 4.01Å; A211-L849 VanDerWaalsContact CA-CD1 3.42Å; A211-L849 HydrophobicContact CB-CD1 3.46Å; A211-L849 VanDerWaalsContact CB-CD1 3.46Å
212	Q	82.6	Confident	80.7	Confident	6 Å²	6	53.7 Å²	53.7	3%	0.028	28%	0.282	C	S	.	.	H	α-helix	trans	-57.5	-39.3	173.3	-71.6	-161.3	-12.4	0	0	111.5	V208 A209 G216 M500 N501 C503 R507	V208-Q212 WeakPolarHBondContact O-CG 3.25Å; V208-Q212 PolarHBondContact O-N 2.79Å; A209-Q212 PolarHBondContact O-N 2.8Å; Q212-G216 WeakPolarHBondContact O-CA 3.44Å; Q212-G216 PolarHBondContact O-N 2.92Å; Q212-M500 PolarHBondContact NE2-O 3.44Å; Q212-N501 WeakPolarHBondContact CB-O 3.16Å; Q212-N501 VanDerWaalsContact CG-O 3.23Å; Q212-N501 WeakPolarHBondContact CG-O 3.37Å; Q212-N501 PolarHBondContact OE1-O 3.44Å; Q212-C503 PolarHBondContact NE2-O 3.23Å; Q212-R507 VanDerWaalsContact OE1-CZ 3.26Å
213	Q	80.6	Confident	82	Confident	73 Å²	73	49.9 Å²	49.9	34%	0.341	26%	0.257	S	S	.	.	H	α-helix	trans	-68	-52.8	176.1	-72.2	-176.8	-28.8	0	0	112.7	E150 A209 N210 A211 G216 A217	E150-Q213 WeakPolarHBondContact OE1-CG 3.43Å; E150-Q213 PolarHBondContact OE1-NE2 3Å; A209-Q213 PolarHBondContact O-N 2.92Å; N210-Q213 PolarHBondContact O-N 3.27Å; A211-Q213 PolarHBondContact O-N 3.47Å; Q213-G216 PolarHBondContact O-N 3.11Å; Q213-A217 WeakPolarHBondContact O-CB 3.5Å; Q213-A217 PolarHBondContact O-N 3.2Å
214	R	82.6	Confident	83.1	Confident	117 Å²	117	51.4 Å²	51.4	44%	0.442	27%	0.266	S	S	.	.	H	α-helix	trans	-59.8	-49.4	179.6	-73.3	-174.5	-174.9	169.2	11.6	112	N210 A211 N218 E848 L849	N210-R214 WeakPolarHBondContact O-CG 3.09Å; N210-R214 PolarHBondContact O-N 2.95Å; A211-R214 PolarHBondContact O-N 2.98Å; R214-N218 WeakPolarHBondContact O-CB 3.37Å; R214-N218 VanDerWaalsContact O-CG 3.3Å; R214-N218 PolarHBondContact O-N 3.03Å; R214-N218 VanDerWaalsContact O-N 3.1Å; R214-E848 PolarHBondContact NH1-O 3.32Å; R214-L849 HydrophobicContact CB-CD1 4.28Å; R214-L849 VanDerWaalsContact NH1-CB 3.31Å; R214-L849 PolarHBondContact NH1-O 3.05Å
215	I	83	Confident	83.9	Confident	13 Å²	13	53 Å²	53	7%	0.067	27%	0.273	C	S	.	.	H	α-helix	trans	-69.1	-38.7	-179.2	-59.2	167.6	0	0	0	110.4	A211 R219 A443	A211-I215 HydrophobicContact CB-CD1 4.46Å; A211-I215 WeakPolarHBondContact O-CB 3.05Å; A211-I215 VanDerWaalsContact O-CG1 3.28Å; A211-I215 WeakPolarHBondContact O-CG1 3.34Å; A211-I215 PolarHBondContact O-N 3.47Å; I215-R219 WeakPolarHBondContact O-CB 3.33Å; I215-R219 PolarHBondContact O-N 2.86Å; I215-A443 WeakPolarHBondContact CG2-O 3.5Å
216	G	83.6	Confident	85	Confident	33 Å²	33	52.1 Å²	52.1	34%	0.34	27%	0.27	S	S	.	.	H	α-helix	trans	-62.1	-46.1	176.9	0	0	0	0	0	113.2	Q212 Q213 R219 Q220	Q212-G216 WeakPolarHBondContact O-CA 3.44Å; Q212-G216 PolarHBondContact O-N 2.92Å; Q213-G216 PolarHBondContact O-N 3.11Å; G216-R219 PolarHBondContact O-N 3.48Å; G216-Q220 PolarHBondContact O-N 2.86Å
217	A	85.1	Confident	85.9	Confident	61 Å²	61	46.6 Å²	46.6	50%	0.504	25%	0.254	S	S	.	.	H	α-helix	trans	-65	-46.8	177.2	0	0	0	0	0	112.2	Q213 R219 Q220 K221	Q213-A217 WeakPolarHBondContact O-CB 3.5Å; Q213-A217 PolarHBondContact O-N 3.2Å; A217-R219 PolarHBondContact O-N 2.9Å; A217-Q220 PolarHBondContact O-N 3.2Å; A217-K221 PolarHBondContact O-N 3.35Å; A217-K221 VanDerWaalsContact O-N 3.08Å
218	N	87	Confident	86.8	Confident	84 Å²	84	49.6 Å²	49.6	45%	0.449	26%	0.263	S	S	.	.	H	α-helix	trans	-63	-41.3	177.3	-70.1	-7.6	0	0	0	111.8	R214 K221 M222	R214-N218 WeakPolarHBondContact O-CB 3.37Å; R214-N218 VanDerWaalsContact O-CG 3.3Å; R214-N218 PolarHBondContact O-N 3.03Å; R214-N218 VanDerWaalsContact O-N 3.1Å; N218-K221 PolarHBondContact O-N 3.46Å; N218-M222 WeakPolarHBondContact O-CG 3.45Å; N218-M222 PolarHBondContact O-N 3.14Å; N218-M222 VanDerWaalsContact O-N 3.15Å
219	R	91.9	Very high	87.7	Confident	24 Å²	24	50.9 Å²	50.9	9%	0.091	27%	0.267	C	S	.	.	H	α-helix	trans	-57.2	-49	172.3	175.2	-175.6	175.1	-69.6	0.4	110.8	I215 G216 A217 K221 M222 V223 R441 V552	I215-R219 WeakPolarHBondContact O-CB 3.33Å; I215-R219 PolarHBondContact O-N 2.86Å; G216-R219 PolarHBondContact O-N 3.48Å; A217-R219 PolarHBondContact O-N 2.9Å; R219-K221 PolarHBondContact O-N 2.92Å; R219-M222 PolarHBondContact O-N 3.36Å; R219-M222 VanDerWaalsContact O-N 3.16Å; R219-V223 HydrophobicContact CG-CG2 4.11Å; R219-V223 VanDerWaalsContact O-CG2 3.28Å; R219-V223 WeakPolarHBondContact O-CG2 3.31Å; R219-V223 PolarHBondContact O-N 2.9Å; R219-R441 WeakPolarHBondContact CG-O 3.45Å; R219-V552 PolarHBondContact NH2-O 3.36Å; R219-V552 VanDerWaalsContact NH2-O 3.08Å
220	Q	90.4	Very high	88.6	Confident	84 Å²	84	53.7 Å²	53.7	39%	0.393	28%	0.277	S	S	.	.	H	α-helix	trans	-61.7	-46	-176.8	-167	57.9	44.7	0	0	111.4	G216 A217 M222 V223 D224	G216-Q220 PolarHBondContact O-N 2.86Å; A217-Q220 PolarHBondContact O-N 3.2Å; Q220-M222 VanDerWaalsContact C-N 3.27Å; Q220-M222 PolarHBondContact O-N 2.75Å; Q220-V223 WeakPolarHBondContact O-CB 3.46Å; Q220-V223 PolarHBondContact O-N 3.35Å; Q220-D224 PolarHBondContact NE2-OD1 2.82Å; Q220-D224 PolarHBondContact O-N 3.35Å; Q220-D224 VanDerWaalsContact O-OD2 3.13Å
221	K	92.5	Very high	89.5	Confident	146 Å²	146	53.6 Å²	53.6	64%	0.635	28%	0.275	S	S	*	.	H	α-helix	trans	-53	-42.7	173.6	-174.6	-174.3	176.8	-174.7	0	112.7	A217 N218 R219 E225	A217-K221 PolarHBondContact O-N 3.35Å; A217-K221 VanDerWaalsContact O-N 3.08Å; N218-K221 PolarHBondContact O-N 3.46Å; R219-K221 PolarHBondContact O-N 2.92Å; K221-E225 VanDerWaalsContact O-CB 3.3Å; K221-E225 WeakPolarHBondContact O-CB 3.46Å; K221-E225 PolarHBondContact O-N 3.33Å; K221-E225 VanDerWaalsContact O-N 3.1Å
222	M	92.1	Very high	90.3	Very high	15 Å²	15	53.7 Å²	53.7	7%	0.074	28%	0.275	C	S	.	.	H	α-helix	trans	-77.9	-22.6	179.4	-68.2	-65.1	95	0	0	114.7	N218 R219 Q220 E225 L226 R441 G445 R447	N218-M222 WeakPolarHBondContact O-CG 3.45Å; N218-M222 PolarHBondContact O-N 3.14Å; N218-M222 VanDerWaalsContact O-N 3.15Å; R219-M222 PolarHBondContact O-N 3.36Å; R219-M222 VanDerWaalsContact O-N 3.16Å; Q220-M222 VanDerWaalsContact C-N 3.27Å; Q220-M222 PolarHBondContact O-N 2.75Å; M222-E225 HydrophobicContact CE-CB 4.5Å; M222-E225 WeakPolarHBondContact CE-OE2 3.44Å; M222-L226 WeakPolarHBondContact O-CB 3.26Å; M222-L226 PolarHBondContact O-N 3.04Å; M222-R441 HydrophobicContact CB-CB 4.15Å; M222-R441 HydrophobicContact CB-CG 3.9Å; M222-R441 PolarHBondContact O-NE 2.87Å; M222-G445 VanDerWaalsContact CG-C 3.42Å; M222-G445 WeakPolarHBondContact CG-O 3.48Å; M222-R447 HydrophobicContact SD-CG 3.76Å
223	V	92.5	Very high	91	Very high	9 Å²	9	54 Å²	54	6%	0.055	28%	0.276	C	S	.	.	H	α-helix	trans	-70.9	-48.8	170.8	162.1	0	0	0	0	109.6	R219 Q220 E225 L226 G227 W229	R219-V223 HydrophobicContact CG-CG2 4.11Å; R219-V223 VanDerWaalsContact O-CG2 3.28Å; R219-V223 WeakPolarHBondContact O-CG2 3.31Å; R219-V223 PolarHBondContact O-N 2.9Å; Q220-V223 WeakPolarHBondContact O-CB 3.46Å; Q220-V223 PolarHBondContact O-N 3.35Å; V223-E225 VanDerWaalsContact C-N 3.32Å; V223-E225 PolarHBondContact O-N 3.43Å; V223-L226 PolarHBondContact O-N 3.25Å; V223-G227 PolarHBondContact O-N 3.23Å; V223-W229 HydrophobicContact CB-CD2 4.22Å; V223-W229 HydrophobicContact CB-CE3 4.25Å; V223-W229 HydrophobicContact CG1-CB 3.87Å; V223-W229 HydrophobicContact CG1-CD2 3.73Å; V223-W229 HydrophobicContact CG1-CE3 4.18Å; V223-W229 HydrophobicContact CG1-CG 3.54Å; V223-W229 HydrophobicContact CG2-CD2 3.72Å; V223-W229 HydrophobicContact CG2-CE3 3.73Å; V223-W229 HydrophobicContact CG2-CG 4.42Å; V223-W229 HydrophobicContact CG2-CH2 3.96Å; V223-W229 HydrophobicContact CG2-CZ2 3.96Å; V223-W229 HydrophobicContact CG2-CZ3 3.83Å
224	D	93.8	Very high	91.8	Very high	107 Å²	107	53.3 Å²	53.3	57%	0.572	28%	0.275	S	S	*	.	H	α-helix	trans	-64.8	-37.6	-179.7	-56.9	-29.1	0	0	0	111.3	Q220	Q220-D224 PolarHBondContact NE2-OD1 2.82Å; Q220-D224 PolarHBondContact O-N 3.35Å; Q220-D224 VanDerWaalsContact O-OD2 3.13Å
225	E	93.2	Very high	92.5	Very high	58 Å²	58	48.5 Å²	48.5	27%	0.271	26%	0.257	S	S	.	.	H	α-helix	trans	-72.7	-25	176.2	-168.7	-136.7	76.7	0	0	114.1	K221 M222 V223 R441 R447 R675	K221-E225 VanDerWaalsContact O-CB 3.3Å; K221-E225 WeakPolarHBondContact O-CB 3.46Å; K221-E225 PolarHBondContact O-N 3.33Å; K221-E225 VanDerWaalsContact O-N 3.1Å; M222-E225 HydrophobicContact CE-CB 4.5Å; M222-E225 WeakPolarHBondContact CE-OE2 3.44Å; V223-E225 VanDerWaalsContact C-N 3.32Å; V223-E225 PolarHBondContact O-N 3.43Å; E225-R441 IonicContact OE1-NH2 2.75Å; E225-R441 PolarHBondContact OE1-NH2 2.86Å; E225-R447 VanDerWaalsContact CD-NH2 3.35Å; E225-R447 IonicContact OE1-CZ 3.36Å; E225-R447 IonicContact OE1-NE 3.89Å; E225-R447 PolarHBondContact OE1-NE 3Å; E225-R447 IonicContact OE1-NH2 3.78Å; E225-R447 IonicContact OE2-CZ 3.84Å; E225-R447 IonicContact OE2-NE 2.74Å; E225-R447 PolarHBondContact OE2-NE 3.48Å; E225-R447 IonicContact OE2-NH2 3.67Å; E225-R447 PolarHBondContact OE2-NH2 3.33Å; E225-R675 PolarHBondContact O-NH1 3.1Å; E225-R675 VanDerWaalsContact O-NH1 3.12Å; E225-R675 PolarHBondContact O-NH2 3.26Å; E225-R675 IonicContact OE1-NH2 3.4Å; E225-R675 PolarHBondContact OE1-NH2 2.87Å
226	L	94.3	Very high	93.2	Very high	6 Å²	6	47.9 Å²	47.9	3%	0.031	25%	0.253	C	S	.	.	H	α-helix	trans	-74	-37.9	175.1	-174.8	56.1	0	0	0	111.3	M222 V223 W229 W232 T437 M438 R675	M222-L226 WeakPolarHBondContact O-CB 3.26Å; M222-L226 PolarHBondContact O-N 3.04Å; V223-L226 PolarHBondContact O-N 3.25Å; L226-W229 HydrophobicContact CD2-CE3 4.07Å; L226-W229 HydrophobicContact CD2-CZ3 4.16Å; L226-W232 HydrophobicContact CD1-CZ2 3.87Å; L226-W232 HydrophobicContact CD2-CB 4.5Å; L226-W232 HydrophobicContact CD2-CD2 3.96Å; L226-W232 HydrophobicContact CD2-CG 3.9Å; L226-W232 HydrophobicContact CG-CD2 4.46Å; L226-W232 HydrophobicContact CG-CG 4.39Å; L226-T437 HydrophobicContact CD2-CG2 4.15Å; L226-M438 HydrophobicContact CD2-SD 4.31Å; L226-R675 PolarHBondContact O-NH1 2.64Å
227	G	92.9	Very high	93.9	Very high	27 Å²	27	46.5 Å²	46.5	28%	0.278	24%	0.239	S	C	.	.			trans	67.2	171.4	-167.9	0	0	0	0	0	112.1	V223 W229	V223-G227 PolarHBondContact O-N 3.23Å; G227-W229 PolarHBondContact O-N 3.49Å
228	H	94.5	Very high	94.5	Very high	94 Å²	94	44.9 Å²	44.9	44%	0.435	22%	0.221	S	C	.	.			trans	47.8	34.6	174.5	-62.6	-68.8	0	0	0	114.6	E230 E231 W232 Y671	H228-E230 VanDerWaalsContact C-N 3.29Å; H228-E230 PolarHBondContact O-N 2.95Å; H228-E231 VanDerWaalsContact CA-OE2 3.3Å; H228-E231 WeakPolarHBondContact CA-OE2 3.39Å; H228-E231 HydrophobicContact CB-CB 4.34Å; H228-E231 IonicContact CE1-OE1 3.87Å; H228-E231 IonicContact CG-OE1 2.63Å; H228-E231 IonicContact ND1-OE1 2.69Å; H228-E231 PolarHBondContact ND1-OE1 3.47Å; H228-E231 WeakPolarHBondContact O-CB 3.24Å; H228-E231 PolarHBondContact O-N 3.25Å; H228-E231 VanDerWaalsContact O-N 3.14Å; H228-E231 VanDerWaalsContact O-OE2 3.11Å; H228-W232 VanDerWaalsContact O-CD1 3.25Å; H228-W232 PolarHBondContact O-N 2.95Å; H228-Y671 HydrophobicContact CB-CD2 3.65Å; H228-Y671 HydrophobicContact CB-CE2 3.52Å; H228-Y671 HydrophobicContact CB-CG 4.27Å; H228-Y671 AromaticContact CD2-CE1 3.77Å; H228-Y671 AromaticContact CD2-CZ 3.86Å; H228-Y671 AromaticContact CE1-CZ 3.83Å; H228-Y671 PolarHBondContact CE1-OH 3.44Å; H228-Y671 AromaticContact CG-CE1 3.9Å; H228-Y671 AromaticContact CG-CE2 3.56Å; H228-Y671 AromaticContact CG-CZ 3.49Å; H228-Y671 VanDerWaalsContact CG-CZ 3.49Å; H228-Y671 AromaticContact ND1-CE2 3.81Å; H228-Y671 AromaticContact ND1-CZ 3.49Å; H228-Y671 PolarHBondContact ND1-OH 2.98Å; H228-Y671 AromaticContact NE2-CE1 3.97Å
229	W	95.2	Very high	95	Very high	27 Å²	27	40.9 Å²	40.9	10%	0.102	20%	0.199	C	C	.	.	H	α-helix	trans	-62.2	-36.1	-164.7	174.3	-103.2	0	0	0	112.9	V223 L226 G227 R233 M438 P554	V223-W229 HydrophobicContact CB-CD2 4.22Å; V223-W229 HydrophobicContact CB-CE3 4.25Å; V223-W229 HydrophobicContact CG1-CB 3.87Å; V223-W229 HydrophobicContact CG1-CD2 3.73Å; V223-W229 HydrophobicContact CG1-CE3 4.18Å; V223-W229 HydrophobicContact CG1-CG 3.54Å; V223-W229 HydrophobicContact CG2-CD2 3.72Å; V223-W229 HydrophobicContact CG2-CE3 3.73Å; V223-W229 HydrophobicContact CG2-CG 4.42Å; V223-W229 HydrophobicContact CG2-CH2 3.96Å; V223-W229 HydrophobicContact CG2-CZ2 3.96Å; V223-W229 HydrophobicContact CG2-CZ3 3.83Å; L226-W229 HydrophobicContact CD2-CE3 4.07Å; L226-W229 HydrophobicContact CD2-CZ3 4.16Å; G227-W229 PolarHBondContact O-N 3.49Å; W229-R233 HydrophobicContact CZ2-CG 4.43Å; W229-R233 VanDerWaalsContact O-CG 3.25Å; W229-R233 WeakPolarHBondContact O-CG 3.48Å; W229-R233 PolarHBondContact O-N 3.37Å; W229-R233 VanDerWaalsContact O-N 3.1Å; W229-M438 HydrophobicContact CD2-CE 4.36Å; W229-M438 HydrophobicContact CE3-CE 4.03Å; W229-M438 HydrophobicContact CE3-SD 4.07Å; W229-M438 HydrophobicContact CH2-CE 3.46Å; W229-M438 VanDerWaalsContact CH2-CE 3.46Å; W229-M438 HydrophobicContact CH2-SD 3.73Å; W229-M438 HydrophobicContact CZ2-CE 3.8Å; W229-M438 HydrophobicContact CZ3-CE 3.59Å; W229-M438 HydrophobicContact CZ3-SD 3.4Å; W229-M438 WeakPolarHBondContact CZ3-SD 3.36Å; W229-P554 HydrophobicContact CH2-CB 4.49Å; W229-P554 HydrophobicContact CZ2-CB 4.47Å
230	E	95.6	Very high	95.3	Very high	76 Å²	76	39.7 Å²	39.7	36%	0.355	20%	0.195	S	C	.	.	H	α-helix	trans	-71.1	-40.1	179.4	-69.8	-60.1	122	0	0	110.8	H228 W232 R233 D234 R556	H228-E230 VanDerWaalsContact C-N 3.29Å; H228-E230 PolarHBondContact O-N 2.95Å; E230-W232 PolarHBondContact O-N 3.04Å; E230-R233 VanDerWaalsContact CD-NH1 3.31Å; E230-R233 CarbonylContact O-C 3.59Å; E230-R233 WeakPolarHBondContact O-CA 3.45Å; E230-R233 VanDerWaalsContact O-CB 3.3Å; E230-R233 WeakPolarHBondContact O-CB 3.47Å; E230-R233 PolarHBondContact O-N 3.44Å; E230-R233 WeakPolarHBondContact OE1-CD 3.27Å; E230-R233 IonicContact OE1-CZ 2.77Å; E230-R233 IonicContact OE1-NE 3.55Å; E230-R233 IonicContact OE1-NH1 2.79Å; E230-R233 PolarHBondContact OE1-NH1 2.94Å; E230-R233 IonicContact OE2-CZ 3.21Å; E230-R233 IonicContact OE2-NH1 2.92Å; E230-R233 PolarHBondContact OE2-NH1 3.21Å; E230-D234 PolarHBondContact O-N 2.88Å; E230-R556 PolarHBondContact O-NH2 2.96Å; E230-R556 IonicContact OE2-CZ 3.48Å; E230-R556 VanDerWaalsContact OE2-CZ 3.24Å; E230-R556 IonicContact OE2-NH1 3.85Å; E230-R556 PolarHBondContact OE2-NH1 3.11Å; E230-R556 IonicContact OE2-NH2 3.28Å; E230-R556 PolarHBondContact OE2-NH2 3.48Å
231	E	96.5	Very high	95.7	Very high	65 Å²	65	37.6 Å²	37.6	30%	0.304	19%	0.186	S	C	.	.	H	α-helix	trans	-64.1	-39.9	175.8	-51	94.1	117.3	0	0	111.5	H228 R233 D234 R235 N669 Y671	H228-E231 VanDerWaalsContact CA-OE2 3.3Å; H228-E231 WeakPolarHBondContact CA-OE2 3.39Å; H228-E231 HydrophobicContact CB-CB 4.34Å; H228-E231 IonicContact CE1-OE1 3.87Å; H228-E231 IonicContact CG-OE1 2.63Å; H228-E231 IonicContact ND1-OE1 2.69Å; H228-E231 PolarHBondContact ND1-OE1 3.47Å; H228-E231 WeakPolarHBondContact O-CB 3.24Å; H228-E231 PolarHBondContact O-N 3.25Å; H228-E231 VanDerWaalsContact O-N 3.14Å; H228-E231 VanDerWaalsContact O-OE2 3.11Å; E231-R233 VanDerWaalsContact C-N 3.31Å; E231-R233 PolarHBondContact O-N 3.06Å; E231-D234 PolarHBondContact O-N 2.85Å; E231-D234 VanDerWaalsContact O-N 3.16Å; E231-R235 PolarHBondContact O-N 3.22Å; E231-N669 VanDerWaalsContact C-ND2 3.35Å; E231-N669 PolarHBondContact O-ND2 3.16Å; E231-Y671 HydrophobicContact CB-CD2 4.15Å; E231-Y671 HydrophobicContact CB-CE2 3.71Å; E231-Y671 HydrophobicContact CG-CE2 4.09Å
232	W	97.1	Very high	95.9	Very high	3 Å²	3	31.4 Å²	31.4	1%	0.011	16%	0.16	C	C	.	.	H	α-helix	trans	-61	-36.7	170	-85	100.2	0	0	0	112.3	L226 H228 E230 A236 V434 T437 M438 A672	L226-W232 HydrophobicContact CD1-CZ2 3.87Å; L226-W232 HydrophobicContact CD2-CB 4.5Å; L226-W232 HydrophobicContact CD2-CD2 3.96Å; L226-W232 HydrophobicContact CD2-CG 3.9Å; L226-W232 HydrophobicContact CG-CD2 4.46Å; L226-W232 HydrophobicContact CG-CG 4.39Å; H228-W232 VanDerWaalsContact O-CD1 3.25Å; H228-W232 PolarHBondContact O-N 2.95Å; E230-W232 PolarHBondContact O-N 3.04Å; W232-A236 VanDerWaalsContact O-CB 3.23Å; W232-A236 WeakPolarHBondContact O-CB 3.48Å; W232-A236 PolarHBondContact O-N 3.25Å; W232-V434 HydrophobicContact CE3-CG1 4.2Å; W232-V434 HydrophobicContact CZ3-CB 4.43Å; W232-V434 HydrophobicContact CZ3-CG1 4.26Å; W232-V434 HydrophobicContact CZ3-CG2 4.17Å; W232-T437 HydrophobicContact CE3-CG2 4.17Å; W232-T437 HydrophobicContact CH2-CG2 3.95Å; W232-T437 HydrophobicContact CZ3-CG2 3.71Å; W232-M438 HydrophobicContact CB-CE 3.94Å; W232-M438 HydrophobicContact CB-SD 3.76Å; W232-M438 HydrophobicContact CE3-SD 4.43Å; W232-M438 HydrophobicContact CG-SD 4.46Å; W232-A672 VanDerWaalsContact CH2-CA 3.48Å; W232-A672 HydrophobicContact CH2-CB 3.63Å; W232-A672 HydrophobicContact CZ2-CB 4.42Å; W232-A672 HydrophobicContact CZ3-CB 4.02Å
233	R	97.7	Very high	96.2	Very high	11 Å²	11	30.7 Å²	30.7	4%	0.042	16%	0.156	C	C	.	.	H	α-helix	trans	-68.2	-35.2	173.1	-61.4	165.1	79.4	179.2	3.4	112.3	W229 E230 E231 A237 M438 D550 N551 C553 P554 R556	W229-R233 HydrophobicContact CZ2-CG 4.43Å; W229-R233 VanDerWaalsContact O-CG 3.25Å; W229-R233 WeakPolarHBondContact O-CG 3.48Å; W229-R233 PolarHBondContact O-N 3.37Å; W229-R233 VanDerWaalsContact O-N 3.1Å; E230-R233 VanDerWaalsContact CD-NH1 3.31Å; E230-R233 CarbonylContact O-C 3.59Å; E230-R233 WeakPolarHBondContact O-CA 3.45Å; E230-R233 VanDerWaalsContact O-CB 3.3Å; E230-R233 WeakPolarHBondContact O-CB 3.47Å; E230-R233 PolarHBondContact O-N 3.44Å; E230-R233 WeakPolarHBondContact OE1-CD 3.27Å; E230-R233 IonicContact OE1-CZ 2.77Å; E230-R233 IonicContact OE1-NE 3.55Å; E230-R233 IonicContact OE1-NH1 2.79Å; E230-R233 PolarHBondContact OE1-NH1 2.94Å; E230-R233 IonicContact OE2-CZ 3.21Å; E230-R233 IonicContact OE2-NH1 2.92Å; E230-R233 PolarHBondContact OE2-NH1 3.21Å; E231-R233 VanDerWaalsContact C-N 3.31Å; E231-R233 PolarHBondContact O-N 3.06Å; R233-A237 VanDerWaalsContact O-CB 3.23Å; R233-A237 WeakPolarHBondContact O-CB 3.24Å; R233-A237 PolarHBondContact O-N 3.49Å; R233-M438 HydrophobicContact CB-CE 4.3Å; R233-M438 HydrophobicContact CG-CE 3.64Å; R233-D550 PolarHBondContact NH2-O 3.15Å; R233-N551 VanDerWaalsContact CZ-O 3.28Å; R233-N551 PolarHBondContact NH1-O 2.94Å; R233-N551 PolarHBondContact NH2-O 2.91Å; R233-N551 VanDerWaalsContact NH2-O 3.11Å; R233-C553 VanDerWaalsContact CZ-O 3.28Å; R233-C553 PolarHBondContact NE-O 3.47Å; R233-C553 PolarHBondContact NH2-O 2.96Å; R233-P554 VanDerWaalsContact CA-O 3.32Å; R233-P554 WeakPolarHBondContact CA-O 3.49Å; R233-P554 WeakPolarHBondContact CB-O 3.44Å; R233-R556 HydrophobicContact CB-CG 4Å
234	D	97.1	Very high	96.4	Very high	60 Å²	60	30.3 Å²	30.3	32%	0.321	15%	0.154	S	C	.	.	H	α-helix	trans	-67.5	-47.3	177	-76.4	-56	0	0	0	111.5	E230 E231 A236 A237 Q238 R556 L668	E230-D234 PolarHBondContact O-N 2.88Å; E231-D234 PolarHBondContact O-N 2.85Å; E231-D234 VanDerWaalsContact O-N 3.16Å; D234-A236 PolarHBondContact O-N 3.1Å; D234-A237 PolarHBondContact O-N 3.22Å; D234-Q238 WeakPolarHBondContact O-CB 3.45Å; D234-Q238 PolarHBondContact O-N 3.5Å; D234-R556 WeakPolarHBondContact OD1-CD 3.32Å; D234-R556 IonicContact OD1-CZ 3.84Å; D234-R556 IonicContact OD1-NE 2.76Å; D234-R556 PolarHBondContact OD1-NE 2.95Å; D234-R556 IonicContact OD1-NH2 3.73Å; D234-R556 IonicContact OD2-CZ 3.87Å; D234-R556 IonicContact OD2-NE 3.38Å; D234-R556 PolarHBondContact OD2-NE 2.77Å; D234-R556 IonicContact OD2-NH2 3.5Å; D234-R556 PolarHBondContact OD2-NH2 2.83Å; D234-L668 HydrophobicContact CB-CD1 4Å
235	R	97.1	Very high	96.6	Very high	16 Å²	16	27.1 Å²	27.1	6%	0.06	14%	0.14	C	C	.	.	H	α-helix	trans	-61.5	-44.4	173.3	-179.5	64	-171.4	137.4	5.1	111.3	E231 A237 Q238 I239 E431 V434 E664	E231-R235 PolarHBondContact O-N 3.22Å; R235-A237 VanDerWaalsContact C-N 3.29Å; R235-A237 PolarHBondContact O-N 3.42Å; R235-Q238 PolarHBondContact O-N 3.01Å; R235-I239 HydrophobicContact CG-CD1 4.07Å; R235-I239 VanDerWaalsContact CZ-CG1 3.46Å; R235-I239 WeakPolarHBondContact O-CD1 3.42Å; R235-I239 VanDerWaalsContact O-CG1 3.28Å; R235-I239 WeakPolarHBondContact O-CG1 3.35Å; R235-I239 PolarHBondContact O-N 2.99Å; R235-I239 VanDerWaalsContact O-N 3.08Å; R235-E431 IonicContact NH2-OE1 2.75Å; R235-E431 PolarHBondContact NH2-OE1 2.92Å; R235-V434 HydrophobicContact CG-CG1 4.17Å; R235-V434 HydrophobicContact CG-CG2 4.35Å; R235-E664 IonicContact CZ-OE1 2.74Å; R235-E664 IonicContact CZ-OE2 3.49Å; R235-E664 IonicContact NH1-OE1 2.73Å; R235-E664 PolarHBondContact NH1-OE1 2.73Å; R235-E664 IonicContact NH1-OE2 3.46Å; R235-E664 PolarHBondContact NH1-OE2 2.72Å; R235-E664 IonicContact NH2-OE1 3.42Å; R235-E664 PolarHBondContact NH2-OE1 3.31Å; R235-E664 IonicContact NH2-OE2 3.55Å; R235-E664 PolarHBondContact NH2-OE2 2.94Å
236	A	98	Very high	96.7	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-66.2	-28.3	177.8	0	0	0	0	0	113.3	W232 D234 R240 V434 M438 V555	W232-A236 VanDerWaalsContact O-CB 3.23Å; W232-A236 WeakPolarHBondContact O-CB 3.48Å; W232-A236 PolarHBondContact O-N 3.25Å; D234-A236 PolarHBondContact O-N 3.1Å; A236-R240 VanDerWaalsContact O-CG 3.25Å; A236-R240 WeakPolarHBondContact O-CG 3.47Å; A236-V434 HydrophobicContact CB-CG1 3.97Å; A236-M438 HydrophobicContact CB-CG 4.06Å; A236-V555 HydrophobicContact CB-CG1 3.84Å; A236-V555 WeakPolarHBondContact O-CG1 3.46Å
237	A	98	Very high	96.9	Very high	4 Å²	4	24.3 Å²	24.3	3%	0.033	13%	0.127	C	C	.	.	H	α-helix	trans	-74.2	-47.7	171.1	0	0	0	0	0	111.8	R233 D234 R235 I239 R240 D241 R556	R233-A237 VanDerWaalsContact O-CB 3.23Å; R233-A237 WeakPolarHBondContact O-CB 3.24Å; R233-A237 PolarHBondContact O-N 3.49Å; D234-A237 PolarHBondContact O-N 3.22Å; R235-A237 VanDerWaalsContact C-N 3.29Å; R235-A237 PolarHBondContact O-N 3.42Å; A237-I239 PolarHBondContact O-N 2.91Å; A237-R240 PolarHBondContact O-N 3.37Å; A237-D241 PolarHBondContact O-N 2.93Å; A237-R556 HydrophobicContact CB-CB 4.18Å; A237-R556 HydrophobicContact CB-CG 4.31Å
238	Q	97.8	Very high	97	Very high	26 Å²	26	23 Å²	23	12%	0.121	11%	0.113	C	C	.	.	H	α-helix	trans	-50.1	-53.7	177.4	-178.9	-172	23	0	0	111.4	D234 R235 R240 D241 H242 D665 A666 L668	D234-Q238 WeakPolarHBondContact O-CB 3.45Å; D234-Q238 PolarHBondContact O-N 3.5Å; R235-Q238 PolarHBondContact O-N 3.01Å; Q238-R240 VanDerWaalsContact C-N 3.27Å; Q238-R240 PolarHBondContact O-N 2.94Å; Q238-D241 PolarHBondContact O-N 3.43Å; Q238-H242 WeakPolarHBondContact O-CB 3.26Å; Q238-H242 PolarHBondContact O-N 3.45Å; Q238-D665 PolarHBondContact NE2-O 3.16Å; Q238-A666 PolarHBondContact NE2-O 2.8Å; Q238-L668 HydrophobicContact CB-CD1 4.01Å; Q238-L668 HydrophobicContact CG-CD1 4.41Å
239	I	97.8	Very high	97.1	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-51.9	-47.1	178	-70.3	166.7	0	0	0	111.1	R235 A237 V243 E431 V434 L435	R235-I239 HydrophobicContact CG-CD1 4.07Å; R235-I239 VanDerWaalsContact CZ-CG1 3.46Å; R235-I239 WeakPolarHBondContact O-CD1 3.42Å; R235-I239 VanDerWaalsContact O-CG1 3.28Å; R235-I239 WeakPolarHBondContact O-CG1 3.35Å; R235-I239 PolarHBondContact O-N 2.99Å; R235-I239 VanDerWaalsContact O-N 3.08Å; A237-I239 PolarHBondContact O-N 2.91Å; I239-V243 WeakPolarHBondContact O-CB 3.43Å; I239-V243 WeakPolarHBondContact O-CG2 3.38Å; I239-V243 PolarHBondContact O-N 3.23Å; I239-E431 HydrophobicContact CB-CG 4.41Å; I239-E431 HydrophobicContact CD1-CB 4.06Å; I239-E431 HydrophobicContact CD1-CG 3.82Å; I239-E431 HydrophobicContact CG1-CB 4.36Å; I239-E431 HydrophobicContact CG1-CG 3.77Å; I239-E431 HydrophobicContact CG2-CB 3.74Å; I239-E431 HydrophobicContact CG2-CG 3.79Å; I239-V434 HydrophobicContact CD1-CB 3.79Å; I239-V434 HydrophobicContact CD1-CG1 3.79Å; I239-V434 HydrophobicContact CD1-CG2 4.12Å; I239-L435 HydrophobicContact CG2-CD1 3.91Å; I239-L435 HydrophobicContact CG2-CG 4.35Å
240	R	98.1	Very high	97.3	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-73.1	-38	-176.1	-62.9	-64.6	-64.8	145.9	8.6	111.7	A236 A237 Q238 L244 E423 I425 L435 L491 R492 V555	A236-R240 VanDerWaalsContact O-CG 3.25Å; A236-R240 WeakPolarHBondContact O-CG 3.47Å; A237-R240 PolarHBondContact O-N 3.37Å; Q238-R240 VanDerWaalsContact C-N 3.27Å; Q238-R240 PolarHBondContact O-N 2.94Å; R240-L244 WeakPolarHBondContact O-CB 3.48Å; R240-L244 WeakPolarHBondContact O-CG 3.31Å; R240-L244 PolarHBondContact O-N 2.61Å; R240-E423 VanDerWaalsContact CZ-O 3.28Å; R240-E423 PolarHBondContact NH1-O 2.99Å; R240-E423 PolarHBondContact NH2-O 3.49Å; R240-I425 PolarHBondContact NH1-O 3.24Å; R240-L435 HydrophobicContact CG-CD2 3.83Å; R240-L491 PolarHBondContact NH2-O 3.04Å; R240-R492 HydrophobicContact CB-CB 3.9Å; R240-R492 HydrophobicContact CB-CG 3.84Å; R240-R492 PolarHBondContact NE-O 3.33Å; R240-R492 VanDerWaalsContact NE-O 3.1Å; R240-V555 HydrophobicContact CG-CG1 4.31Å
241	D	97.6	Very high	97.4	Very high	40 Å²	40	14.1 Å²	14.1	21%	0.214	7%	0.073	C	C	.	.	H	α-helix	trans	-69.5	-36	174.8	-79.5	-54	0	0	0	113	A237 Q238 S245 R488 R492	A237-D241 PolarHBondContact O-N 2.93Å; Q238-D241 PolarHBondContact O-N 3.43Å; D241-S245 WeakPolarHBondContact O-CB 3.44Å; D241-S245 PolarHBondContact O-N 2.79Å; D241-S245 PolarHBondContact O-OG 2.73Å; D241-R488 IonicContact OD1-NH2 3.47Å; D241-R492 IonicContact OD1-NE 2.82Å; D241-R492 VanDerWaalsContact OD2-CD 3.29Å; D241-R492 WeakPolarHBondContact OD2-CD 3.25Å; D241-R492 IonicContact OD2-CZ 3.72Å; D241-R492 IonicContact OD2-NE 3.25Å; D241-R492 IonicContact OD2-NH1 2.68Å; D241-R492 PolarHBondContact OD2-NH1 3.11Å
242	H	97.6	Very high	97.4	Very high	16 Å²	16	14 Å²	14	7%	0.074	7%	0.07	C	C	.	.	H	α-helix	trans	-63.9	-51	173.6	-178.5	87.3	0	0	0	110.9	Q238 L244 S245 N246 Y250 Q662 A663 E664	Q238-H242 WeakPolarHBondContact O-CB 3.26Å; Q238-H242 PolarHBondContact O-N 3.45Å; H242-L244 VanDerWaalsContact C-N 3.34Å; H242-L244 PolarHBondContact O-N 2.91Å; H242-S245 PolarHBondContact O-N 3.25Å; H242-N246 PolarHBondContact CE1-ND2 3.49Å; H242-N246 PolarHBondContact NE2-ND2 2.87Å; H242-N246 VanDerWaalsContact NE2-ND2 3.19Å; H242-N246 PolarHBondContact O-N 2.94Å; H242-Y250 AromaticContact CD2-CE2 3.74Å; H242-Y250 PolarHBondContact CD2-OH 2.74Å; H242-Y250 AromaticContact NE2-CE2 3.8Å; H242-Y250 AromaticContact NE2-CZ 3.92Å; H242-Y250 PolarHBondContact NE2-OH 3.18Å; H242-Y250 VanDerWaalsContact NE2-OH 3.16Å; H242-Q662 PolarHBondContact CE1-O 3.48Å; H242-Q662 PolarHBondContact NE2-O 3Å; H242-A663 PolarHBondContact CE1-O 2.96Å; H242-E664 HydrophobicContact CB-CG 4.21Å
243	V	97.9	Very high	97.4	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-56.5	-45.8	175.4	166.2	0	0	0	0	111.6	I239 S245 N246 L247 Y250 I425 P427	I239-V243 WeakPolarHBondContact O-CB 3.43Å; I239-V243 WeakPolarHBondContact O-CG2 3.38Å; I239-V243 PolarHBondContact O-N 3.23Å; V243-S245 PolarHBondContact O-N 3.11Å; V243-N246 CarbonylContact O-C 3.58Å; V243-N246 PolarHBondContact O-N 2.78Å; V243-L247 HydrophobicContact CG1-CD1 3.84Å; V243-L247 VanDerWaalsContact O-CA 3.23Å; V243-L247 WeakPolarHBondContact O-CA 3.39Å; V243-L247 WeakPolarHBondContact O-CB 3.35Å; V243-L247 PolarHBondContact O-N 2.84Å; V243-Y250 HydrophobicContact CG2-CD2 4.34Å; V243-Y250 HydrophobicContact CG2-CE2 4.16Å; V243-I425 HydrophobicContact CG1-CB 3.88Å; V243-I425 HydrophobicContact CG1-CG2 4.44Å; V243-P427 HydrophobicContact CG2-CG 3.92Å
244	L	97.5	Very high	97.4	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-63.1	-30.5	178	-71.3	170.6	0	0	0	112.7	R240 H242 E423 L483 L491 R492 L653	R240-L244 WeakPolarHBondContact O-CB 3.48Å; R240-L244 WeakPolarHBondContact O-CG 3.31Å; R240-L244 PolarHBondContact O-N 2.61Å; H242-L244 VanDerWaalsContact C-N 3.34Å; H242-L244 PolarHBondContact O-N 2.91Å; L244-E423 HydrophobicContact CD2-CB 4.09Å; L244-L483 HydrophobicContact CB-CD1 4.06Å; L244-L483 HydrophobicContact CD2-CD1 4.15Å; L244-L491 HydrophobicContact CD1-CB 3.97Å; L244-L491 HydrophobicContact CD2-CB 3.55Å; L244-L491 HydrophobicContact CD2-CD1 4.04Å; L244-L491 HydrophobicContact CD2-CG 4.46Å; L244-L491 HydrophobicContact CG-CB 4.43Å; L244-R492 HydrophobicContact CD1-CG 3.75Å; L244-L653 WeakPolarHBondContact O-CD2 3.31Å
245	S	96.5	Very high	97.4	Very high	41 Å²	41	13.1 Å²	13.1	29%	0.287	7%	0.065	S	C	.	.	H	α-helix	trans	-86	-16.7	-177.5	-51.3	0	0	0	0	113.5	D241 H242 V243 R488 R655	D241-S245 WeakPolarHBondContact O-CB 3.44Å; D241-S245 PolarHBondContact O-N 2.79Å; D241-S245 PolarHBondContact O-OG 2.73Å; H242-S245 PolarHBondContact O-N 3.25Å; V243-S245 PolarHBondContact O-N 3.11Å; S245-R488 PolarHBondContact OG-NH2 3.46Å; S245-R655 PolarHBondContact O-NH2 2.92Å
246	N	97.1	Very high	97.4	Very high	4 Å²	4	16.2 Å²	16.2	2%	0.021	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.5	23.4	174.4	-71.4	-61.4	0	0	0	112.7	H242 V243 D248 A249 Y250 R658 P661 Q662	H242-N246 PolarHBondContact CE1-ND2 3.49Å; H242-N246 PolarHBondContact NE2-ND2 2.87Å; H242-N246 VanDerWaalsContact NE2-ND2 3.19Å; H242-N246 PolarHBondContact O-N 2.94Å; V243-N246 CarbonylContact O-C 3.58Å; V243-N246 PolarHBondContact O-N 2.78Å; N246-D248 PolarHBondContact O-N 2.81Å; N246-A249 PolarHBondContact O-N 3.11Å; N246-A249 VanDerWaalsContact O-N 3.17Å; N246-Y250 HydrophobicContact CB-CD2 3.78Å; N246-Y250 HydrophobicContact CB-CE2 3.72Å; N246-Y250 WeakPolarHBondContact O-CD2 3.29Å; N246-Y250 PolarHBondContact O-N 2.55Å; N246-R658 PolarHBondContact OD1-NH1 3.06Å; N246-P661 HydrophobicContact CB-CB 4.33Å; N246-Q662 PolarHBondContact OD1-N 3.03Å
247	L	97.3	Very high	97.3	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-64.8	-37	-164	-165.2	68.9	0	0	0	113.9	V243 Y250 L251 M422 I425 L483 V649	V243-L247 HydrophobicContact CG1-CD1 3.84Å; V243-L247 VanDerWaalsContact O-CA 3.23Å; V243-L247 WeakPolarHBondContact O-CA 3.39Å; V243-L247 WeakPolarHBondContact O-CB 3.35Å; V243-L247 PolarHBondContact O-N 2.84Å; L247-Y250 PolarHBondContact O-N 2.74Å; L247-L251 HydrophobicContact CD2-CD1 4.42Å; L247-L251 HydrophobicContact CG-CD1 3.94Å; L247-L251 HydrophobicContact CG-CG 4.33Å; L247-L251 VanDerWaalsContact O-CB 3.26Å; L247-L251 WeakPolarHBondContact O-CB 3.13Å; L247-L251 WeakPolarHBondContact O-CD1 3.26Å; L247-L251 WeakPolarHBondContact O-CG 3.37Å; L247-L251 PolarHBondContact O-N 2.84Å; L247-M422 HydrophobicContact CD2-CE 3.87Å; L247-M422 HydrophobicContact CD2-CG 4.28Å; L247-I425 HydrophobicContact CD1-CD1 4.29Å; L247-L483 HydrophobicContact CD2-CD2 3.92Å; L247-V649 HydrophobicContact CB-CG1 4.09Å; L247-V649 HydrophobicContact CD2-CG1 4.26Å; L247-V649 HydrophobicContact CG-CG1 4.39Å
248	D	95.7	Very high	97.3	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-58.8	-46.6	174.2	61.5	-36.5	0	0	0	112.2	N246 L251 Y252 V649 A650 R655 L657 R658	N246-D248 PolarHBondContact O-N 2.81Å; D248-L251 PolarHBondContact O-N 3.36Å; D248-Y252 WeakPolarHBondContact O-CB 3.37Å; D248-Y252 PolarHBondContact O-N 2.83Å; D248-V649 HydrophobicContact CB-CB 4.31Å; D248-V649 HydrophobicContact CB-CG1 4Å; D248-A650 HydrophobicContact CB-CB 4.32Å; D248-R655 VanDerWaalsContact CG-NH1 3.31Å; D248-R655 IonicContact OD1-CZ 2.78Å; D248-R655 IonicContact OD1-NH1 2.69Å; D248-R655 PolarHBondContact OD1-NH1 3.32Å; D248-R655 IonicContact OD1-NH2 3.65Å; D248-R655 PolarHBondContact OD1-NH2 2.97Å; D248-R655 IonicContact OD2-CZ 3.05Å; D248-R655 IonicContact OD2-NH1 3.93Å; D248-R655 PolarHBondContact OD2-NH1 2.88Å; D248-R655 IonicContact OD2-NH2 2.81Å; D248-L657 HydrophobicContact CB-CD1 3.84Å; D248-R658 PolarHBondContact OD2-N 2.97Å
249	A	96.9	Very high	97.2	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-69.2	-40.1	178.2	0	0	0	0	0	112.5	N246 Y252 Q253 R658 E660 P661	N246-A249 PolarHBondContact O-N 3.11Å; N246-A249 VanDerWaalsContact O-N 3.17Å; A249-Y252 WeakPolarHBondContact O-CB 3.37Å; A249-Y252 PolarHBondContact O-N 2.99Å; A249-Q253 WeakPolarHBondContact O-CB 3.44Å; A249-Q253 PolarHBondContact O-N 2.93Å; A249-R658 VanDerWaalsContact CA-O 3.3Å; A249-R658 WeakPolarHBondContact CA-O 3.3Å; A249-R658 HydrophobicContact CB-CB 3.86Å; A249-E660 VanDerWaalsContact CB-C 3.42Å; A249-E660 WeakPolarHBondContact CB-O 3.12Å; A249-P661 HydrophobicContact CB-CB 4.24Å
250	Y	98.2	Very high	97.2	Very high	10 Å²	10	28.2 Å²	28.2	4%	0.039	14%	0.14	C	C	.	.	H	α-helix	trans	-67.5	-35.7	175.6	-80.3	-52.7	0	0	0	112.8	H242 V243 N246 L247 L254 A392 I425 P427 P661	H242-Y250 AromaticContact CD2-CE2 3.74Å; H242-Y250 PolarHBondContact CD2-OH 2.74Å; H242-Y250 AromaticContact NE2-CE2 3.8Å; H242-Y250 AromaticContact NE2-CZ 3.92Å; H242-Y250 PolarHBondContact NE2-OH 3.18Å; H242-Y250 VanDerWaalsContact NE2-OH 3.16Å; V243-Y250 HydrophobicContact CG2-CD2 4.34Å; V243-Y250 HydrophobicContact CG2-CE2 4.16Å; N246-Y250 HydrophobicContact CB-CD2 3.78Å; N246-Y250 HydrophobicContact CB-CE2 3.72Å; N246-Y250 WeakPolarHBondContact O-CD2 3.29Å; N246-Y250 PolarHBondContact O-N 2.55Å; L247-Y250 PolarHBondContact O-N 2.74Å; Y250-L254 WeakPolarHBondContact O-CB 3.45Å; Y250-L254 PolarHBondContact O-N 2.87Å; Y250-A392 HydrophobicContact CD1-CB 3.65Å; Y250-A392 HydrophobicContact CE1-CB 4.4Å; Y250-A392 HydrophobicContact CG-CB 4.48Å; Y250-I425 HydrophobicContact CG-CG2 4.44Å; Y250-P427 HydrophobicContact CE1-CB 3.8Å; Y250-P427 HydrophobicContact CE1-CG 4.09Å; Y250-P427 HydrophobicContact CE2-CG 4.38Å; Y250-P427 WeakPolarHBondContact OH-CG 3.14Å; Y250-P661 HydrophobicContact CD1-CB 3.97Å; Y250-P661 HydrophobicContact CD1-CG 4.09Å; Y250-P661 HydrophobicContact CD2-CB 4.32Å; Y250-P661 HydrophobicContact CE1-CB 3.57Å; Y250-P661 HydrophobicContact CE1-CG 3.66Å; Y250-P661 HydrophobicContact CE2-CB 3.95Å; Y250-P661 HydrophobicContact CG-CB 4.32Å
251	L	97.8	Very high	97.1	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-66.1	-38.6	171.2	-74.8	164.6	0	0	0	111.5	L247 D248 S255 F267 M420 M422 I425 I474 F645 L646 V649	L247-L251 HydrophobicContact CD2-CD1 4.42Å; L247-L251 HydrophobicContact CG-CD1 3.94Å; L247-L251 HydrophobicContact CG-CG 4.33Å; L247-L251 VanDerWaalsContact O-CB 3.26Å; L247-L251 WeakPolarHBondContact O-CB 3.13Å; L247-L251 WeakPolarHBondContact O-CD1 3.26Å; L247-L251 WeakPolarHBondContact O-CG 3.37Å; L247-L251 PolarHBondContact O-N 2.84Å; D248-L251 PolarHBondContact O-N 3.36Å; L251-S255 VanDerWaalsContact O-CB 3.24Å; L251-S255 WeakPolarHBondContact O-CB 3.35Å; L251-S255 PolarHBondContact O-N 3.38Å; L251-F267 HydrophobicContact CB-CE1 4.27Å; L251-F267 HydrophobicContact CD2-CE1 4.16Å; L251-M420 HydrophobicContact CD2-CE 4.3Å; L251-M422 HydrophobicContact CD1-CB 4.38Å; L251-M422 HydrophobicContact CD2-CB 4.31Å; L251-I425 HydrophobicContact CD2-CD1 3.79Å; L251-I425 HydrophobicContact CG-CD1 3.88Å; L251-I474 HydrophobicContact CD2-CD1 4.15Å; L251-I474 HydrophobicContact CD2-CG2 3.74Å; L251-F645 HydrophobicContact CD1-CE1 4.05Å; L251-L646 HydrophobicContact CB-CD2 3.56Å; L251-L646 HydrophobicContact CD1-CD2 4.39Å; L251-V649 HydrophobicContact CD1-CG1 4.36Å; L251-V649 HydrophobicContact CD1-CG2 4.12Å
252	Y	96.5	Very high	97	Very high	64 Å²	64	29.2 Å²	29.2	25%	0.251	16%	0.156	S	C	.	.	H	α-helix	trans	-63	-53.3	173.1	-177.9	-88.7	0	0	0	111.3	D248 A249 L254 S255 E256 R642 L646 L659	D248-Y252 WeakPolarHBondContact O-CB 3.37Å; D248-Y252 PolarHBondContact O-N 2.83Å; A249-Y252 WeakPolarHBondContact O-CB 3.37Å; A249-Y252 PolarHBondContact O-N 2.99Å; Y252-L254 PolarHBondContact O-N 2.82Å; Y252-S255 WeakPolarHBondContact O-CB 3.47Å; Y252-S255 PolarHBondContact O-N 2.82Å; Y252-S255 VanDerWaalsContact O-N 3.11Å; Y252-E256 HydrophobicContact CD1-CG 4.07Å; Y252-E256 HydrophobicContact CE1-CG 3.58Å; Y252-E256 PolarHBondContact O-N 3.14Å; Y252-R642 PolarHBondContact O-NH2 2.9Å; Y252-L646 HydrophobicContact CD2-CD1 3.88Å; Y252-L659 HydrophobicContact CD1-CB 3.96Å; Y252-L659 HydrophobicContact CD1-CD2 4.43Å; Y252-L659 VanDerWaalsContact CD1-O 3.27Å; Y252-L659 WeakPolarHBondContact CD1-O 3.34Å; Y252-L659 HydrophobicContact CD2-CD2 3.7Å; Y252-L659 HydrophobicContact CE1-CB 3.98Å; Y252-L659 HydrophobicContact CE2-CD2 3.81Å; Y252-L659 HydrophobicContact CG-CB 4.36Å; Y252-L659 HydrophobicContact CG-CD2 4.04Å
253	Q	97.3	Very high	97	Very high	52 Å²	52	28.6 Å²	28.6	24%	0.243	15%	0.154	C	C	.	.	H	α-helix	trans	-57.5	-47.7	179.2	-171.1	-170	12.6	0	0	111.8	A249 S255 E256 K257 A392	A249-Q253 WeakPolarHBondContact O-CB 3.44Å; A249-Q253 PolarHBondContact O-N 2.93Å; Q253-S255 VanDerWaalsContact C-N 3.31Å; Q253-S255 PolarHBondContact O-N 2.84Å; Q253-E256 PolarHBondContact O-N 2.91Å; Q253-K257 WeakPolarHBondContact O-CB 3.4Å; Q253-K257 WeakPolarHBondContact O-CG 3.16Å; Q253-K257 PolarHBondContact O-N 2.9Å; Q253-A392 HydrophobicContact CB-CB 4.49Å; Q253-A392 HydrophobicContact CG-CB 4.47Å; Q253-A392 WeakPolarHBondContact CG-O 3.47Å
254	L	98.2	Very high	97	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-59.1	-42.3	175.2	176.2	61	0	0	0	111.6	Y250 Y252 K257 V258 A390 A392 M420 I425 L472 I474	Y250-L254 WeakPolarHBondContact O-CB 3.45Å; Y250-L254 PolarHBondContact O-N 2.87Å; Y252-L254 PolarHBondContact O-N 2.82Å; L254-K257 PolarHBondContact O-N 2.71Å; L254-V258 HydrophobicContact CD1-CG2 3.98Å; L254-V258 WeakPolarHBondContact O-CG2 3.14Å; L254-V258 PolarHBondContact O-N 2.69Å; L254-A390 HydrophobicContact CD1-CB 3.86Å; L254-A390 HydrophobicContact CD2-CB 3.71Å; L254-A390 HydrophobicContact CG-CB 4.47Å; L254-A392 HydrophobicContact CB-CB 4.44Å; L254-M420 HydrophobicContact CD2-CE 3.77Å; L254-M420 HydrophobicContact CD2-SD 4.28Å; L254-I425 HydrophobicContact CD2-CD1 3.93Å; L254-I425 HydrophobicContact CD2-CG1 4.05Å; L254-L472 HydrophobicContact CD1-CD2 4.35Å; L254-L472 HydrophobicContact CD2-CD2 4.05Å; L254-L472 HydrophobicContact CG-CD2 4.14Å; L254-I474 HydrophobicContact CD2-CD1 4.45Å
255	S	96.8	Very high	97	Very high	3 Å²	3	34.2 Å²	34.2	2%	0.021	18%	0.182	C	C	.	.	H	α-helix	trans	-65.2	-44	178.9	-173.2	0	0	0	0	111.9	L251 Y252 Q253 T259 R642	L251-S255 VanDerWaalsContact O-CB 3.24Å; L251-S255 WeakPolarHBondContact O-CB 3.35Å; L251-S255 PolarHBondContact O-N 3.38Å; Y252-S255 WeakPolarHBondContact O-CB 3.47Å; Y252-S255 PolarHBondContact O-N 2.82Å; Y252-S255 VanDerWaalsContact O-N 3.11Å; Q253-S255 VanDerWaalsContact C-N 3.31Å; Q253-S255 PolarHBondContact O-N 2.84Å; S255-T259 WeakPolarHBondContact O-CB 3.26Å; S255-T259 PolarHBondContact O-N 3.48Å; S255-T259 VanDerWaalsContact O-N 3.13Å; S255-T259 PolarHBondContact O-OG1 3.32Å; S255-R642 PolarHBondContact OG-NE 3.36Å
256	E	96.2	Very high	97	Very high	80 Å²	80	34 Å²	34	37%	0.374	18%	0.175	S	C	.	.	H	α-helix	trans	-60.8	-45.6	174.6	-67.7	-57.3	94.7	0	0	111	Y252 Q253 T259 Q260 R642	Y252-E256 HydrophobicContact CD1-CG 4.07Å; Y252-E256 HydrophobicContact CE1-CG 3.58Å; Y252-E256 PolarHBondContact O-N 3.14Å; Q253-E256 PolarHBondContact O-N 2.91Å; E256-T259 PolarHBondContact O-N 2.85Å; E256-Q260 WeakPolarHBondContact O-CB 3.18Å; E256-Q260 PolarHBondContact O-N 2.93Å; E256-R642 IonicContact OE1-CZ 3.42Å; E256-R642 IonicContact OE1-NH1 2.76Å; E256-R642 PolarHBondContact OE1-NH1 3.38Å; E256-R642 IonicContact OE1-NH2 3.58Å; E256-R642 PolarHBondContact OE1-NH2 3.2Å
257	K	96.8	Very high	97	Very high	65 Å²	65	34.2 Å²	34.2	28%	0.283	18%	0.176	S	C	.	.	H	α-helix	trans	-69.6	-40.4	-177.2	-73.5	-73.1	175.4	-169.2	0	113.8	Q253 L254 T259 Q260 N261 E393	Q253-K257 WeakPolarHBondContact O-CB 3.4Å; Q253-K257 WeakPolarHBondContact O-CG 3.16Å; Q253-K257 PolarHBondContact O-N 2.9Å; L254-K257 PolarHBondContact O-N 2.71Å; K257-T259 VanDerWaalsContact C-N 3.29Å; K257-T259 PolarHBondContact O-N 3.44Å; K257-Q260 PolarHBondContact O-N 3.1Å; K257-N261 WeakPolarHBondContact O-CB 3.4Å; K257-N261 VanDerWaalsContact O-CG 3.24Å; K257-N261 PolarHBondContact O-N 2.91Å; K257-N261 PolarHBondContact O-ND2 2.78Å; K257-E393 VanDerWaalsContact CD-O 3.26Å; K257-E393 WeakPolarHBondContact CD-O 3.07Å; K257-E393 VanDerWaalsContact CE-O 3.25Å; K257-E393 WeakPolarHBondContact CE-O 3.27Å; K257-E393 WeakPolarHBondContact CG-O 3.48Å
258	V	97.9	Very high	96.9	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-61.6	-41.4	172.6	171.8	0	0	0	0	110.5	L254 N261 G262 G263 V265 F470 L472	L254-V258 HydrophobicContact CD1-CG2 3.98Å; L254-V258 WeakPolarHBondContact O-CG2 3.14Å; L254-V258 PolarHBondContact O-N 2.69Å; V258-N261 PolarHBondContact O-N 2.87Å; V258-G262 PolarHBondContact O-N 3.01Å; V258-G263 WeakPolarHBondContact O-CA 3.42Å; V258-G263 PolarHBondContact O-N 3.27Å; V258-V265 HydrophobicContact CB-CG2 3.62Å; V258-V265 HydrophobicContact CG1-CG2 3.48Å; V258-V265 VanDerWaalsContact CG1-CG2 3.48Å; V258-V265 HydrophobicContact CG2-CG2 4.47Å; V258-F470 HydrophobicContact CG1-CD1 4.11Å; V258-F470 HydrophobicContact CG1-CE1 3.77Å; V258-L472 HydrophobicContact CG1-CB 4.47Å; V258-L472 HydrophobicContact CG2-CD2 3.98Å
259	T	96.7	Very high	96.8	Very high	78 Å²	78	39.5 Å²	39.5	48%	0.479	20%	0.196	S	C	.	.	H	α-helix	trans	-65.8	-45.6	177.7	-50.6	0	0	0	0	111.5	S255 E256 K257 N261 G262 G263	S255-T259 WeakPolarHBondContact O-CB 3.26Å; S255-T259 PolarHBondContact O-N 3.48Å; S255-T259 VanDerWaalsContact O-N 3.13Å; S255-T259 PolarHBondContact O-OG1 3.32Å; E256-T259 PolarHBondContact O-N 2.85Å; K257-T259 VanDerWaalsContact C-N 3.29Å; K257-T259 PolarHBondContact O-N 3.44Å; T259-N261 PolarHBondContact O-N 3.19Å; T259-G262 PolarHBondContact O-N 3.09Å; T259-G263 WeakPolarHBondContact CA-O 3.39Å
260	Q	96.2	Very high	96.6	Very high	139 Å²	139	41 Å²	41	65%	0.65	21%	0.205	S	C	*	.	H	α-helix	trans	-57.3	-34.8	175	-173.9	179.5	15.7	0	0	112.2	E256 K257 G262	E256-Q260 WeakPolarHBondContact O-CB 3.18Å; E256-Q260 PolarHBondContact O-N 2.93Å; K257-Q260 PolarHBondContact O-N 3.1Å; Q260-G262 VanDerWaalsContact C-N 3.28Å; Q260-G262 PolarHBondContact O-N 2.75Å
261	N	96.6	Very high	96.4	Very high	18 Å²	18	44.6 Å²	44.6	10%	0.096	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-3.6	178.6	-73.3	-35.6	0	0	0	114.6	K257 V258 T259 T394 T456 R830	K257-N261 WeakPolarHBondContact O-CB 3.4Å; K257-N261 VanDerWaalsContact O-CG 3.24Å; K257-N261 PolarHBondContact O-N 2.91Å; K257-N261 PolarHBondContact O-ND2 2.78Å; V258-N261 PolarHBondContact O-N 2.87Å; T259-N261 PolarHBondContact O-N 3.19Å; N261-T394 PolarHBondContact ND2-O 2.96Å; N261-T456 HydrophobicContact CB-CG2 4.48Å; N261-T456 VanDerWaalsContact ND2-CG2 3.31Å; N261-T456 WeakPolarHBondContact ND2-CG2 3.34Å; N261-R830 PolarHBondContact O-NH2 2.86Å
262	G	96.3	Very high	96.2	Very high	44 Å²	44	48.8 Å²	48.8	45%	0.454	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	91.5	14.6	-176.7	0	0	0	0	0	115	V258 T259 Q260 P458	V258-G262 PolarHBondContact O-N 3.01Å; T259-G262 PolarHBondContact O-N 3.09Å; Q260-G262 VanDerWaalsContact C-N 3.28Å; Q260-G262 PolarHBondContact O-N 2.75Å; G262-P458 WeakPolarHBondContact O-CG 3.5Å
263	G	97.3	Very high	96.1	Very high	3 Å²	3	46.3 Å²	46.3	3%	0.031	23%	0.231	C	C	.	.			trans	-97	156.2	176.4	0	0	0	0	0	113.6	V258 T259	V258-G263 WeakPolarHBondContact O-CA 3.42Å; V258-G263 PolarHBondContact O-N 3.27Å; T259-G263 WeakPolarHBondContact CA-O 3.39Å
264	H	97.9	Very high	96	Very high	87 Å²	87	43.9 Å²	43.9	40%	0.403	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	145.3	172.1	-57	-65	0	0	0	110.9	E469 F470 H471 L472	H264-E469 IonicContact CD2-OE1 2.63Å; H264-E469 IonicContact NE2-OE1 3.85Å; H264-F470 PolarHBondContact N-O 2.86Å; H264-H471 AromaticContact CD2-CE1 3.74Å; H264-H471 AromaticContact CD2-ND1 3.9Å; H264-H471 CarbonylContact O-C 3.56Å; H264-H471 WeakPolarHBondContact O-CA 3.24Å; H264-L472 PolarHBondContact O-N 3.5Å
265	V	97.2	Very high	96	Very high	31 Å²	31	44.4 Å²	44.4	19%	0.188	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	129.1	176.6	-174.4	0	0	0	0	109.1	V258 F267 L472 I474	V258-V265 HydrophobicContact CB-CG2 3.62Å; V258-V265 HydrophobicContact CG1-CG2 3.48Å; V258-V265 VanDerWaalsContact CG1-CG2 3.48Å; V258-V265 HydrophobicContact CG2-CG2 4.47Å; V265-F267 HydrophobicContact CG1-CD2 4.11Å; V265-F267 HydrophobicContact CG1-CE2 3.66Å; V265-F267 HydrophobicContact CG1-CZ 4.18Å; V265-L472 WeakPolarHBondContact CA-O 3.35Å; V265-I474 HydrophobicContact CG1-CD1 3.74Å; V265-I474 HydrophobicContact CG1-CG1 4.4Å
266	Y	96.8	Very high	96	Very high	37 Å²	37	48 Å²	48	15%	0.145	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	125.5	173.3	-174.6	-101.9	0	0	0	110.3	A268 D273 Y277 L472 V473 I474	Y266-A268 HydrophobicContact CD1-CB 4.07Å; Y266-A268 HydrophobicContact CE1-CB 3.85Å; Y266-D273 HydrophobicContact CE1-CB 4.13Å; Y266-D273 WeakPolarHBondContact CE1-O 3.4Å; Y266-Y277 HydrophobicContact CD1-CD1 4.06Å; Y266-Y277 HydrophobicContact CD1-CD2 4.03Å; Y266-Y277 AromaticContact CD1-CG 3.62Å; Y266-Y277 HydrophobicContact CD1-CG 3.62Å; Y266-Y277 AromaticContact CD2-CD2 3.32Å; Y266-Y277 HydrophobicContact CD2-CD2 3.32Å; Y266-Y277 AromaticContact CD2-CE2 3.68Å; Y266-Y277 HydrophobicContact CD2-CE2 3.68Å; Y266-Y277 AromaticContact CD2-CG 3.83Å; Y266-Y277 HydrophobicContact CD2-CG 3.83Å; Y266-Y277 HydrophobicContact CE1-CD2 4.42Å; Y266-Y277 HydrophobicContact CE1-CG 4.07Å; Y266-Y277 AromaticContact CE2-CD2 3.79Å; Y266-Y277 HydrophobicContact CE2-CD2 3.79Å; Y266-Y277 HydrophobicContact CE2-CE2 4.49Å; Y266-Y277 HydrophobicContact CE2-CG 4.27Å; Y266-Y277 AromaticContact CG-CD1 3.9Å; Y266-Y277 HydrophobicContact CG-CD1 3.9Å; Y266-Y277 AromaticContact CG-CD2 3.46Å; Y266-Y277 HydrophobicContact CG-CD2 3.46Å; Y266-Y277 VanDerWaalsContact CG-CD2 3.46Å; Y266-Y277 HydrophobicContact CG-CE1 4.25Å; Y266-Y277 AromaticContact CG-CE2 3.83Å; Y266-Y277 HydrophobicContact CG-CE2 3.83Å; Y266-Y277 AromaticContact CG-CG 3.48Å; Y266-Y277 HydrophobicContact CG-CG 3.48Å; Y266-Y277 VanDerWaalsContact CG-CG 3.48Å; Y266-L472 PolarHBondContact N-O 2.98Å; Y266-V473 HydrophobicContact CD1-CG1 4.44Å; Y266-V473 WeakPolarHBondContact O-CA 3.39Å; Y266-I474 PolarHBondContact O-N 3Å
267	F	96.6	Very high	96	Very high	7 Å²	7	45.5 Å²	45.5	3%	0.031	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	119.1	175.4	-73.9	-87.7	0	0	0	108.5	L251 V265 I474 F641 R642 F645 L646	L251-F267 HydrophobicContact CB-CE1 4.27Å; L251-F267 HydrophobicContact CD2-CE1 4.16Å; V265-F267 HydrophobicContact CG1-CD2 4.11Å; V265-F267 HydrophobicContact CG1-CE2 3.66Å; V265-F267 HydrophobicContact CG1-CZ 4.18Å; F267-I474 HydrophobicContact CD1-CB 4.14Å; F267-I474 HydrophobicContact CD1-CD1 4.35Å; F267-I474 HydrophobicContact CD1-CG2 4.23Å; F267-I474 HydrophobicContact CE1-CB 4.39Å; F267-I474 HydrophobicContact CE1-CD1 3.81Å; F267-I474 HydrophobicContact CE1-CG2 4.33Å; F267-I474 HydrophobicContact CZ-CD1 3.95Å; F267-F641 HydrophobicContact CB-CD1 4.36Å; F267-F641 WeakPolarHBondContact O-CD1 3.43Å; F267-F641 WeakPolarHBondContact O-CE1 3.4Å; F267-R642 HydrophobicContact CD2-CB 3.98Å; F267-R642 HydrophobicContact CD2-CG 3.93Å; F267-R642 HydrophobicContact CE2-CB 4.25Å; F267-R642 HydrophobicContact CE2-CG 3.69Å; F267-R642 HydrophobicContact CZ-CG 4.44Å; F267-F645 HydrophobicContact CB-CB 4Å; F267-F645 HydrophobicContact CB-CD1 4.47Å; F267-F645 HydrophobicContact CB-CD2 3.69Å; F267-F645 HydrophobicContact CB-CE2 4.21Å; F267-F645 HydrophobicContact CB-CG 3.82Å; F267-F645 HydrophobicContact CD1-CB 4.23Å; F267-F645 AromaticContact CD1-CD1 3.41Å; F267-F645 HydrophobicContact CD1-CD1 3.41Å; F267-F645 VanDerWaalsContact CD1-CD1 3.41Å; F267-F645 HydrophobicContact CD1-CD2 4.05Å; F267-F645 AromaticContact CD1-CE1 3.63Å; F267-F645 HydrophobicContact CD1-CE1 3.63Å; F267-F645 HydrophobicContact CD1-CE2 4.21Å; F267-F645 AromaticContact CD1-CG 3.64Å; F267-F645 HydrophobicContact CD1-CG 3.64Å; F267-F645 HydrophobicContact CD1-CZ 4.01Å; F267-F645 AromaticContact CE1-CD1 3.97Å; F267-F645 HydrophobicContact CE1-CD1 3.97Å; F267-F645 HydrophobicContact CE1-CE1 4.13Å; F267-F645 HydrophobicContact CG-CB 4.3Å; F267-F645 HydrophobicContact CG-CD1 4.28Å; F267-F645 HydrophobicContact CG-CD2 4.34Å; F267-F645 HydrophobicContact CG-CG 4.07Å; F267-L646 HydrophobicContact CE1-CD2 4.23Å; F267-L646 HydrophobicContact CZ-CD2 4.4Å
268	A	95.3	Very high	96.1	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	113.2	-175.9	0	0	0	0	0	110.3	Y266 D273 A274 V473 I474 V475 D476	Y266-A268 HydrophobicContact CD1-CB 4.07Å; Y266-A268 HydrophobicContact CE1-CB 3.85Å; A268-D273 HydrophobicContact CB-CB 3.89Å; A268-A274 HydrophobicContact CB-CB 3.69Å; A268-V473 HydrophobicContact CB-CG1 4.39Å; A268-I474 PolarHBondContact N-O 2.9Å; A268-V475 HydrophobicContact CB-CG2 4.41Å; A268-D476 PolarHBondContact O-N 2.81Å
269	R	93.4	Very high	96.1	Very high	112 Å²	112	43.9 Å²	43.9	42%	0.423	22%	0.218	S	C	.	.	S	Bend	trans	-73.7	-42.2	-178.8	-176.4	-174.4	-168.2	148.9	10.8	110.6	D273 N477 F641 E644	R269-D273 PolarHBondContact N-OD2 3.01Å; R269-N477 VanDerWaalsContact O-CA 3.29Å; R269-N477 WeakPolarHBondContact O-CA 3.46Å; R269-N477 PolarHBondContact O-N 3.31Å; R269-F641 HydrophobicContact CB-CE1 3.67Å; R269-F641 HydrophobicContact CB-CZ 3.53Å; R269-E644 IonicContact CZ-OE1 2.71Å; R269-E644 IonicContact NH1-OE1 3.56Å; R269-E644 PolarHBondContact NH1-OE1 3.2Å; R269-E644 IonicContact NH2-OE1 2.73Å
270	T	92.6	Very high	96.2	Very high	32 Å²	32	44.5 Å²	44.5	20%	0.196	22%	0.216	C	C	.	.	S	Bend	trans	-109.1	171.3	178.2	64.7	0	0	0	0	111	E272 D273	T270-E272 VanDerWaalsContact C-N 3.31Å; T270-E272 WeakPolarHBondContact CB-OE2 3.34Å; T270-E272 PolarHBondContact OG1-N 2.88Å; T270-D273 WeakPolarHBondContact CB-OD2 3.28Å; T270-D273 PolarHBondContact N-OD2 2.82Å; T270-D273 PolarHBondContact OG1-N 2.75Å; T270-D273 PolarHBondContact OG1-OD2 3.01Å
271	K	94.2	Very high	96.3	Very high	85 Å²	85	38 Å²	38	37%	0.37	19%	0.185	S	C	.	.	H	α-helix	trans	-69.8	-32.3	168.6	61.1	175.5	-166.5	176.2	0	112	A274 T275 I301 N477	K271-A274 WeakPolarHBondContact O-CB 3.38Å; K271-A274 PolarHBondContact O-N 2.86Å; K271-T275 PolarHBondContact O-N 3.17Å; K271-T275 PolarHBondContact O-OG1 3.38Å; K271-I301 HydrophobicContact CB-CB 3.71Å; K271-I301 HydrophobicContact CB-CG2 3.63Å; K271-N477 PolarHBondContact N-OD1 2.94Å
272	E	93.9	Very high	96.3	Very high	88 Å²	88	37.1 Å²	37.1	41%	0.411	18%	0.181	S	C	.	.	H	α-helix	trans	-63.5	-40.1	177.4	-68.3	71	-159.7	0	0	111.3	T270 A274 T275 R276	T270-E272 VanDerWaalsContact C-N 3.31Å; T270-E272 WeakPolarHBondContact CB-OE2 3.34Å; T270-E272 PolarHBondContact OG1-N 2.88Å; E272-A274 VanDerWaalsContact C-N 3.34Å; E272-A274 PolarHBondContact O-N 2.83Å; E272-T275 PolarHBondContact O-OG1 3.03Å; E272-R276 WeakPolarHBondContact O-CB 3.21Å; E272-R276 PolarHBondContact O-N 3.44Å
273	D	93.7	Very high	96.4	Very high	12 Å²	12	40.3 Å²	40.3	6%	0.064	18%	0.184	C	C	.	.	H	α-helix	trans	-59.3	-45.9	171.9	-63	-42.7	0	0	0	111.5	Y266 A268 R269 T270 R276 Y277	Y266-D273 HydrophobicContact CE1-CB 4.13Å; Y266-D273 WeakPolarHBondContact CE1-O 3.4Å; A268-D273 HydrophobicContact CB-CB 3.89Å; R269-D273 PolarHBondContact N-OD2 3.01Å; T270-D273 WeakPolarHBondContact CB-OD2 3.28Å; T270-D273 PolarHBondContact N-OD2 2.82Å; T270-D273 PolarHBondContact OG1-N 2.75Å; T270-D273 PolarHBondContact OG1-OD2 3.01Å; D273-R276 IonicContact OD1-CZ 2.7Å; D273-R276 IonicContact OD1-NH2 3.02Å; D273-R276 PolarHBondContact OD1-NH2 2.86Å; D273-Y277 WeakPolarHBondContact O-CB 3.41Å; D273-Y277 PolarHBondContact O-N 3.44Å
274	A	96.7	Very high	96.4	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-63.9	-49.7	-178.3	0	0	0	0	0	111.5	A268 K271 E272 Y277 I278 I301 V473 V475	A268-A274 HydrophobicContact CB-CB 3.69Å; K271-A274 WeakPolarHBondContact O-CB 3.38Å; K271-A274 PolarHBondContact O-N 2.86Å; E272-A274 VanDerWaalsContact C-N 3.34Å; E272-A274 PolarHBondContact O-N 2.83Å; A274-Y277 PolarHBondContact O-N 2.86Å; A274-I278 WeakPolarHBondContact O-CB 3.48Å; A274-I278 WeakPolarHBondContact O-CD1 3.08Å; A274-I278 WeakPolarHBondContact O-CG1 3.41Å; A274-I278 PolarHBondContact O-N 3.37Å; A274-I301 HydrophobicContact CB-CD1 3.72Å; A274-I301 HydrophobicContact CB-CG2 4.26Å; A274-V473 HydrophobicContact CB-CG1 3.93Å; A274-V475 HydrophobicContact CB-CG2 3.96Å
275	T	97.4	Very high	96.3	Very high	12 Å²	12	46.4 Å²	46.4	7%	0.074	20%	0.204	C	C	.	.	H	α-helix	trans	-69.7	-37.2	179.9	55.5	0	0	0	0	112.5	K271 E272 I278 L279 I301 V303 V306	K271-T275 PolarHBondContact O-N 3.17Å; K271-T275 PolarHBondContact O-OG1 3.38Å; E272-T275 PolarHBondContact O-OG1 3.03Å; T275-I278 PolarHBondContact O-N 3.18Å; T275-L279 VanDerWaalsContact O-CB 3.31Å; T275-L279 WeakPolarHBondContact O-CB 3.37Å; T275-L279 PolarHBondContact O-N 3.41Å; T275-I301 HydrophobicContact CG2-CB 3.99Å; T275-I301 HydrophobicContact CG2-CD1 3.93Å; T275-I301 HydrophobicContact CG2-CG1 3.79Å; T275-I301 WeakPolarHBondContact CG2-O 3.17Å; T275-V303 HydrophobicContact CG2-CB 4.19Å; T275-V303 HydrophobicContact CG2-CG2 4.27Å; T275-V306 HydrophobicContact CG2-CB 4.47Å; T275-V306 HydrophobicContact CG2-CG2 4.09Å
276	R	96.7	Very high	96.3	Very high	78 Å²	78	51.1 Å²	51.1	29%	0.294	23%	0.228	S	C	.	.	H	α-helix	trans	-58.8	-47.2	173.4	178.7	164.1	57.7	136.2	-0	111.9	E272 D273 L279 Q280 A636	E272-R276 WeakPolarHBondContact O-CB 3.21Å; E272-R276 PolarHBondContact O-N 3.44Å; D273-R276 IonicContact OD1-CZ 2.7Å; D273-R276 IonicContact OD1-NH2 3.02Å; D273-R276 PolarHBondContact OD1-NH2 2.86Å; R276-L279 PolarHBondContact O-N 2.94Å; R276-Q280 WeakPolarHBondContact O-CB 3.45Å; R276-Q280 VanDerWaalsContact O-CG 3.27Å; R276-Q280 WeakPolarHBondContact O-CG 3.21Å; R276-Q280 PolarHBondContact O-N 3.09Å; R276-A636 PolarHBondContact NH1-O 2.94Å
277	Y	97	Very high	96.4	Very high	28 Å²	28	49.8 Å²	49.8	11%	0.11	23%	0.225	C	C	.	.	H	α-helix	trans	-64.4	-43.9	175.6	179.4	-93.8	0	0	0	112.3	Y266 D273 A274 L279 Q280 V281 H471 V473	Y266-Y277 HydrophobicContact CD1-CD1 4.06Å; Y266-Y277 HydrophobicContact CD1-CD2 4.03Å; Y266-Y277 AromaticContact CD1-CG 3.62Å; Y266-Y277 HydrophobicContact CD1-CG 3.62Å; Y266-Y277 AromaticContact CD2-CD2 3.32Å; Y266-Y277 HydrophobicContact CD2-CD2 3.32Å; Y266-Y277 AromaticContact CD2-CE2 3.68Å; Y266-Y277 HydrophobicContact CD2-CE2 3.68Å; Y266-Y277 AromaticContact CD2-CG 3.83Å; Y266-Y277 HydrophobicContact CD2-CG 3.83Å; Y266-Y277 HydrophobicContact CE1-CD2 4.42Å; Y266-Y277 HydrophobicContact CE1-CG 4.07Å; Y266-Y277 AromaticContact CE2-CD2 3.79Å; Y266-Y277 HydrophobicContact CE2-CD2 3.79Å; Y266-Y277 HydrophobicContact CE2-CE2 4.49Å; Y266-Y277 HydrophobicContact CE2-CG 4.27Å; Y266-Y277 AromaticContact CG-CD1 3.9Å; Y266-Y277 HydrophobicContact CG-CD1 3.9Å; Y266-Y277 AromaticContact CG-CD2 3.46Å; Y266-Y277 HydrophobicContact CG-CD2 3.46Å; Y266-Y277 VanDerWaalsContact CG-CD2 3.46Å; Y266-Y277 HydrophobicContact CG-CE1 4.25Å; Y266-Y277 AromaticContact CG-CE2 3.83Å; Y266-Y277 HydrophobicContact CG-CE2 3.83Å; Y266-Y277 AromaticContact CG-CG 3.48Å; Y266-Y277 HydrophobicContact CG-CG 3.48Å; Y266-Y277 VanDerWaalsContact CG-CG 3.48Å; D273-Y277 WeakPolarHBondContact O-CB 3.41Å; D273-Y277 PolarHBondContact O-N 3.44Å; A274-Y277 PolarHBondContact O-N 2.86Å; Y277-L279 VanDerWaalsContact C-N 3.35Å; Y277-L279 PolarHBondContact O-N 2.95Å; Y277-Q280 PolarHBondContact O-N 2.83Å; Y277-V281 HydrophobicContact CD1-CG2 4.13Å; Y277-V281 HydrophobicContact CE1-CG2 3.69Å; Y277-V281 WeakPolarHBondContact O-CG2 3.24Å; Y277-V281 PolarHBondContact O-N 2.63Å; Y277-H471 HydrophobicContact CE1-CB 4.26Å; Y277-H471 AromaticContact CE1-ND1 4Å; Y277-H471 AromaticContact CZ-ND1 3.87Å; Y277-H471 PolarHBondContact OH-ND1 3.5Å; Y277-V473 HydrophobicContact CD1-CG2 3.78Å; Y277-V473 HydrophobicContact CE1-CG2 4.01Å
278	I	98.2	Very high	96.4	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-62.7	-42.6	179.3	-67.3	167.4	0	0	0	111	A274 T275 V281 A282 I301 V303 L307 I384 I417 V419 V473	A274-I278 WeakPolarHBondContact O-CB 3.48Å; A274-I278 WeakPolarHBondContact O-CD1 3.08Å; A274-I278 WeakPolarHBondContact O-CG1 3.41Å; A274-I278 PolarHBondContact O-N 3.37Å; T275-I278 PolarHBondContact O-N 3.18Å; I278-V281 PolarHBondContact O-N 3.23Å; I278-A282 PolarHBondContact O-N 3.42Å; I278-I301 HydrophobicContact CD1-CD1 3.95Å; I278-V303 HydrophobicContact CB-CG2 4.23Å; I278-V303 HydrophobicContact CD1-CG2 3.86Å; I278-V303 HydrophobicContact CG2-CG2 3.76Å; I278-L307 HydrophobicContact CG2-CD1 4.33Å; I278-L307 HydrophobicContact CG2-CD2 4.46Å; I278-I384 HydrophobicContact CG2-CD1 3.85Å; I278-I417 HydrophobicContact CG1-CG2 4.14Å; I278-I417 HydrophobicContact CG2-CD1 4Å; I278-V419 HydrophobicContact CD1-CG2 3.78Å; I278-V473 HydrophobicContact CD1-CG2 4.4Å; I278-V473 HydrophobicContact CG1-CG2 4.06Å
279	L	98.1	Very high	96.5	Very high	31 Å²	31	60.5 Å²	60.5	16%	0.162	27%	0.266	C	S	.	.	H	α-helix	trans	-62.7	-41.8	174.3	178.4	60.4	0	0	0	111.7	T275 R276 Y277 V281 A282 Q283 V306 L307 A310 I312	T275-L279 VanDerWaalsContact O-CB 3.31Å; T275-L279 WeakPolarHBondContact O-CB 3.37Å; T275-L279 PolarHBondContact O-N 3.41Å; R276-L279 PolarHBondContact O-N 2.94Å; Y277-L279 VanDerWaalsContact C-N 3.35Å; Y277-L279 PolarHBondContact O-N 2.95Å; L279-V281 VanDerWaalsContact C-N 3.34Å; L279-V281 PolarHBondContact O-N 3.06Å; L279-A282 PolarHBondContact O-N 2.61Å; L279-Q283 HydrophobicContact CD1-CG 4.03Å; L279-Q283 HydrophobicContact CG-CG 4.35Å; L279-Q283 WeakPolarHBondContact O-CB 3.36Å; L279-Q283 VanDerWaalsContact O-CG 3.31Å; L279-Q283 WeakPolarHBondContact O-CG 3.43Å; L279-Q283 PolarHBondContact O-N 3.03Å; L279-V306 HydrophobicContact CB-CG1 4.36Å; L279-V306 HydrophobicContact CD2-CG1 4.03Å; L279-L307 HydrophobicContact CD1-CD2 4.13Å; L279-A310 HydrophobicContact CD1-CB 3.48Å; L279-A310 VanDerWaalsContact CD1-CB 3.48Å; L279-A310 HydrophobicContact CD2-CB 4.46Å; L279-I312 HydrophobicContact CD1-CD1 4.22Å
280	Q	98	Very high	96.8	Very high	91 Å²	91	55.2 Å²	55.2	43%	0.425	25%	0.246	S	C	.	.	H	α-helix	trans	-64.4	-33.9	174.7	-74.1	171.7	-3.1	0	0	113.1	R276 Y277 R284	R276-Q280 WeakPolarHBondContact O-CB 3.45Å; R276-Q280 VanDerWaalsContact O-CG 3.27Å; R276-Q280 WeakPolarHBondContact O-CG 3.21Å; R276-Q280 PolarHBondContact O-N 3.09Å; Y277-Q280 PolarHBondContact O-N 2.83Å; Q280-R284 WeakPolarHBondContact O-CB 3.49Å; Q280-R284 VanDerWaalsContact O-CG 3.24Å; Q280-R284 WeakPolarHBondContact O-CG 3.14Å; Q280-R284 PolarHBondContact O-N 3.3Å; Q280-R284 VanDerWaalsContact O-N 3.16Å; Q280-R284 PolarHBondContact O-NE 2.68Å
281	V	97.6	Very high	97	Very high	1 Å²	1	53.7 Å²	53.7	1%	0.006	24%	0.236	C	C	.	.	H	α-helix	trans	-65	-49.2	169.2	175.2	0	0	0	0	109.9	Y277 I278 L279 Q283 R284 K285 I382 T415 I417 H471	Y277-V281 HydrophobicContact CD1-CG2 4.13Å; Y277-V281 HydrophobicContact CE1-CG2 3.69Å; Y277-V281 WeakPolarHBondContact O-CG2 3.24Å; Y277-V281 PolarHBondContact O-N 2.63Å; I278-V281 PolarHBondContact O-N 3.23Å; L279-V281 VanDerWaalsContact C-N 3.34Å; L279-V281 PolarHBondContact O-N 3.06Å; V281-Q283 PolarHBondContact O-N 2.85Å; V281-R284 PolarHBondContact O-N 3.49Å; V281-K285 HydrophobicContact CG1-CG 4.4Å; V281-K285 WeakPolarHBondContact O-CG 3.35Å; V281-K285 PolarHBondContact O-N 3.35Å; V281-I382 HydrophobicContact CG1-CD1 4.34Å; V281-T415 HydrophobicContact CG1-CG2 4.05Å; V281-I417 HydrophobicContact CB-CD1 4.03Å; V281-I417 HydrophobicContact CG1-CD1 3.76Å; V281-I417 HydrophobicContact CG1-CG1 4.31Å; V281-H471 WeakPolarHBondContact CG1-NE2 3.39Å
282	A	98.1	Very high	97.1	Very high	1 Å²	1	49.7 Å²	49.7	1%	0.008	22%	0.219	C	C	.	.	H	α-helix	trans	-59.9	-44.8	-178.6	0	0	0	0	0	113.1	I278 L279 K285 N286 A287 L307 I312 I382	I278-A282 PolarHBondContact O-N 3.42Å; L279-A282 PolarHBondContact O-N 2.61Å; A282-K285 CarbonylContact O-C 3.58Å; A282-K285 PolarHBondContact O-N 3.28Å; A282-N286 PolarHBondContact O-N 2.77Å; A282-N286 VanDerWaalsContact O-N 3.11Å; A282-A287 HydrophobicContact CB-CB 4.36Å; A282-A287 PolarHBondContact O-N 2.96Å; A282-L307 HydrophobicContact CB-CD2 3.89Å; A282-I312 HydrophobicContact CB-CD1 3.72Å; A282-I382 HydrophobicContact CB-CD1 4.04Å
283	Q	97.4	Very high	97.1	Very high	110 Å²	110	45.9 Å²	45.9	51%	0.514	20%	0.202	S	C	.	.	H	α-helix	trans	-63.2	-45.7	175.3	-72.1	171.7	-16.7	0	0	112.2	L279 V281 K285 N286	L279-Q283 HydrophobicContact CD1-CG 4.03Å; L279-Q283 HydrophobicContact CG-CG 4.35Å; L279-Q283 WeakPolarHBondContact O-CB 3.36Å; L279-Q283 VanDerWaalsContact O-CG 3.31Å; L279-Q283 WeakPolarHBondContact O-CG 3.43Å; L279-Q283 PolarHBondContact O-N 3.03Å; V281-Q283 PolarHBondContact O-N 2.85Å; Q283-K285 VanDerWaalsContact C-N 3.26Å; Q283-K285 PolarHBondContact O-N 2.68Å; Q283-N286 PolarHBondContact O-N 3.17Å
284	R	97.3	Very high	96.9	Very high	153 Å²	153	47.1 Å²	47.1	58%	0.577	21%	0.207	S	C	*	.	H	α-helix	trans	-62.7	-31.7	176.5	-76	179.2	-65.2	171.3	2.1	113	Q280 V281 N286	Q280-R284 WeakPolarHBondContact O-CB 3.49Å; Q280-R284 VanDerWaalsContact O-CG 3.24Å; Q280-R284 WeakPolarHBondContact O-CG 3.14Å; Q280-R284 PolarHBondContact O-N 3.3Å; Q280-R284 VanDerWaalsContact O-N 3.16Å; Q280-R284 PolarHBondContact O-NE 2.68Å; V281-R284 PolarHBondContact O-N 3.49Å; R284-N286 VanDerWaalsContact C-N 3.29Å; R284-N286 PolarHBondContact O-ND2 3.39Å
285	K	96.9	Very high	96.7	Very high	65 Å²	65	48 Å²	48	28%	0.283	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-4.6	173.5	-65.7	-66.8	-179.3	175.4	0	113.8	V281 A282 Q283 A287 I382 T415 E469	V281-K285 HydrophobicContact CG1-CG 4.4Å; V281-K285 WeakPolarHBondContact O-CG 3.35Å; V281-K285 PolarHBondContact O-N 3.35Å; A282-K285 CarbonylContact O-C 3.58Å; A282-K285 PolarHBondContact O-N 3.28Å; Q283-K285 VanDerWaalsContact C-N 3.26Å; Q283-K285 PolarHBondContact O-N 2.68Å; K285-A287 PolarHBondContact O-N 2.77Å; K285-I382 HydrophobicContact CB-CD1 4.05Å; K285-I382 HydrophobicContact CG-CD1 4.17Å; K285-T415 WeakPolarHBondContact CD-OG1 3.45Å; K285-T415 WeakPolarHBondContact CE-OG1 3.24Å; K285-T415 HydrophobicContact CG-CG2 4.39Å; K285-E469 WeakPolarHBondContact CE-OE2 3.4Å; K285-E469 IonicContact NZ-OE2 3.82Å; K285-E469 PolarHBondContact NZ-OE2 3.03Å
286	N	97.1	Very high	96.4	Very high	131 Å²	131	48.6 Å²	48.6	70%	0.701	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.8	31.8	-172.4	-59.1	-92.7	0	0	0	112.7	A282 Q283 R284 R288	A282-N286 PolarHBondContact O-N 2.77Å; A282-N286 VanDerWaalsContact O-N 3.11Å; Q283-N286 PolarHBondContact O-N 3.17Å; R284-N286 VanDerWaalsContact C-N 3.29Å; R284-N286 PolarHBondContact O-ND2 3.39Å; N286-R288 PolarHBondContact O-N 3.43Å
287	A	97.4	Very high	96.2	Very high	8 Å²	8	45.5 Å²	45.5	7%	0.066	21%	0.205	C	C	.	.			trans	-65.1	130.7	-172.5	0	0	0	0	0	111.4	A282 K285 E381 I382	A282-A287 HydrophobicContact CB-CB 4.36Å; A282-A287 PolarHBondContact O-N 2.96Å; K285-A287 PolarHBondContact O-N 2.77Å; A287-E381 WeakPolarHBondContact CA-OE2 3.34Å; A287-E381 HydrophobicContact CB-CB 4.08Å; A287-I382 HydrophobicContact CB-CD1 3.76Å; A287-I382 HydrophobicContact CB-CG1 3.85Å
288	R	97.6	Very high	96.1	Very high	199 Å²	199	44.1 Å²	44.1	75%	0.751	20%	0.2	S	C	*	.	S	Bend	trans	-103.8	-30.1	175.2	-61.7	179	179.1	-174.3	-0.6	111.3	N286 Q313 E381	N286-R288 PolarHBondContact O-N 3.43Å; R288-Q313 WeakPolarHBondContact O-CB 3.41Å; R288-Q313 PolarHBondContact O-N 2.72Å; R288-E381 VanDerWaalsContact N-CD 3.31Å; R288-E381 PolarHBondContact N-OE1 3.3Å; R288-E381 PolarHBondContact N-OE2 2.84Å
289	K	97.8	Very high	95.8	Very high	33 Å²	33	46.6 Å²	46.6	14%	0.143	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	133.2	179.4	-173.7	-175.5	-60.4	-174.3	0	111.3	Q313 I315 D376 S379 A380 E381	K289-Q313 CarbonylContact C-O 3.53Å; K289-Q313 WeakPolarHBondContact CA-O 3.24Å; K289-Q313 VanDerWaalsContact CE-OE1 3.28Å; K289-I315 HydrophobicContact CG-CG1 4.48Å; K289-D376 HydrophobicContact CD-CB 4.1Å; K289-D376 WeakPolarHBondContact CD-OD1 3.45Å; K289-D376 WeakPolarHBondContact CE-OD1 3.13Å; K289-D376 IonicContact NZ-OD1 3.79Å; K289-D376 PolarHBondContact NZ-OD1 2.99Å; K289-S379 PolarHBondContact NZ-OG 2.77Å; K289-A380 HydrophobicContact CB-CB 4.28Å; K289-A380 HydrophobicContact CD-CB 4.15Å; K289-A380 HydrophobicContact CG-CB 3.96Å; K289-A380 WeakPolarHBondContact O-CA 3.26Å; K289-A380 WeakPolarHBondContact O-CB 2.97Å; K289-E381 PolarHBondContact N-OE2 3.38Å; K289-E381 PolarHBondContact O-N 3.15Å; K289-E381 VanDerWaalsContact O-N 3.12Å; K289-E381 VanDerWaalsContact O-OE2 3.05Å
290	V	98.1	Very high	95.5	Very high	1 Å²	1	46.1 Å²	46.1	1%	0.006	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	125.1	177.4	177.5	0	0	0	0	108.2	L307 I312 Q313 V314 I315 I382 I384	V290-L307 HydrophobicContact CG2-CD1 4.46Å; V290-I312 HydrophobicContact CG2-CG2 3.65Å; V290-Q313 PolarHBondContact N-O 3.26Å; V290-V314 HydrophobicContact CB-CG2 4.38Å; V290-V314 CarbonylContact O-C 3.51Å; V290-V314 WeakPolarHBondContact O-CA 3.37Å; V290-I315 PolarHBondContact O-N 3.45Å; V290-I382 WeakPolarHBondContact CA-O 3.46Å; V290-I382 HydrophobicContact CG2-CB 4.29Å; V290-I384 HydrophobicContact CG1-CB 4.39Å; V290-I384 HydrophobicContact CG1-CD1 3.62Å; V290-I384 HydrophobicContact CG1-CG1 3.66Å
291	V	97.6	Very high	95.3	Very high	0 Å²	0	42 Å²	42	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	130.1	167.9	-78.2	0	0	0	0	109.7	I315 T317 D376 F377 A380 I382 G383 I384 P413	V291-I315 HydrophobicContact CG1-CB 4.43Å; V291-T317 HydrophobicContact CB-CG2 3.74Å; V291-T317 HydrophobicContact CG1-CG2 3.88Å; V291-D376 HydrophobicContact CG1-CB 4.23Å; V291-F377 HydrophobicContact CB-CD1 4.18Å; V291-F377 HydrophobicContact CB-CE1 4.44Å; V291-F377 HydrophobicContact CG1-CD1 4.1Å; V291-F377 HydrophobicContact CG2-CD1 4.08Å; V291-A380 HydrophobicContact CB-CB 4.26Å; V291-A380 HydrophobicContact CG1-CB 3.85Å; V291-A380 HydrophobicContact CG2-CB 3.77Å; V291-I382 PolarHBondContact N-O 3.2Å; V291-G383 CarbonylContact O-C 3.45Å; V291-G383 WeakPolarHBondContact O-CA 3.42Å; V291-I384 PolarHBondContact O-N 2.95Å; V291-P413 HydrophobicContact CG2-CG 3.59Å
292	K	96.7	Very high	95	Very high	2 Å²	2	42.9 Å²	42.9	1%	0.009	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	128.5	-179.4	-164.8	-177.5	78.5	179.6	0	111.2	T298 E299 V303 N304 V314 I315 E316 T317 I384	K292-T298 HydrophobicContact CD-CG2 4.14Å; K292-T298 WeakPolarHBondContact CD-OG1 3.31Å; K292-T298 WeakPolarHBondContact CE-OG1 3.17Å; K292-T298 PolarHBondContact NZ-OG1 3.13Å; K292-T298 VanDerWaalsContact NZ-OG1 3.12Å; K292-E299 IonicContact NZ-OE2 3.79Å; K292-V303 HydrophobicContact CD-CG1 4.24Å; K292-N304 WeakPolarHBondContact CE-OD1 3.34Å; K292-N304 PolarHBondContact NZ-ND2 3.11Å; K292-N304 PolarHBondContact NZ-OD1 3.21Å; K292-V314 HydrophobicContact CB-CG1 4.4Å; K292-I315 PolarHBondContact N-O 2.93Å; K292-E316 WeakPolarHBondContact CE-OE1 3.31Å; K292-E316 WeakPolarHBondContact CE-OE2 3.46Å; K292-E316 IonicContact NZ-OE1 3.51Å; K292-E316 PolarHBondContact NZ-OE1 3.46Å; K292-E316 IonicContact NZ-OE2 3.79Å; K292-T317 PolarHBondContact O-N 3.32Å; K292-T317 PolarHBondContact O-OG1 2.97Å; K292-I384 VanDerWaalsContact CA-O 3.32Å; K292-I384 WeakPolarHBondContact CA-O 3.37Å; K292-I384 HydrophobicContact CB-CB 4.37Å; K292-I384 HydrophobicContact CD-CG2 4.24Å; K292-I384 HydrophobicContact CG-CB 3.91Å; K292-I384 HydrophobicContact CG-CG2 3.94Å
293	S	94.1	Very high	94.9	Very high	7 Å²	7	42.9 Å²	42.9	5%	0.049	20%	0.198	C	C	.	.			trans	-82.9	136.4	164.4	75.1	0	0	0	0	109.8	S295 I384 T385	S293-S295 PolarHBondContact O-N 3.08Å; S293-I384 PolarHBondContact N-O 3.32Å; S293-T385 WeakPolarHBondContact OG-CA 3.28Å; S293-T385 WeakPolarHBondContact OG-CB 3.36Å; S293-T385 WeakPolarHBondContact OG-CG2 3.43Å
294	K	90.1	Very high	94.7	Very high	39 Å²	39	38.4 Å²	38.4	17%	0.17	18%	0.178	C	C	.	.			trans	-29.8	123.7	173.2	175.5	170.4	-177.6	138.7	0	114.3	D318 E321 H333 V334 V335 P337	K294-D318 HydrophobicContact CB-CB 3.68Å; K294-D318 HydrophobicContact CD-CB 4.5Å; K294-D318 VanDerWaalsContact CD-OD1 3.24Å; K294-D318 WeakPolarHBondContact CD-OD1 3.44Å; K294-E321 HydrophobicContact CB-CG 3.9Å; K294-E321 HydrophobicContact CD-CG 3.9Å; K294-E321 WeakPolarHBondContact CD-OE1 3.49Å; K294-E321 WeakPolarHBondContact CE-OE1 3.12Å; K294-E321 HydrophobicContact CG-CG 3.95Å; K294-E321 IonicContact NZ-OE1 2.97Å; K294-E321 PolarHBondContact NZ-OE1 3.04Å; K294-H333 PolarHBondContact NZ-O 3.5Å; K294-V334 WeakPolarHBondContact CE-O 3.4Å; K294-V335 PolarHBondContact NZ-O 3.33Å; K294-P337 VanDerWaalsContact NZ-CB 3.27Å; K294-P337 VanDerWaalsContact NZ-CD 3.34Å; K294-P337 VanDerWaalsContact NZ-CG 3.3Å
295	S	91.8	Very high	94.6	Very high	17 Å²	17	36.6 Å²	36.6	12%	0.119	18%	0.175	C	C	.	.			trans	-157.6	114	177.7	175.5	0	0	0	0	113	S293 V297 T298 E299 G386	S293-S295 PolarHBondContact O-N 3.08Å; S295-V297 PolarHBondContact O-N 3.1Å; S295-V297 VanDerWaalsContact O-N 3.1Å; S295-V297 WeakPolarHBondContact OG-CG1 3.27Å; S295-T298 WeakPolarHBondContact CB-OG1 3.4Å; S295-T298 PolarHBondContact O-N 3.48Å; S295-T298 PolarHBondContact O-OG1 3.3Å; S295-E299 PolarHBondContact O-N 3.37Å; S295-G386 VanDerWaalsContact CB-CA 3.49Å; S295-G386 WeakPolarHBondContact OG-CA 3.19Å
296	M	89.9	Confident	94.5	Very high	25 Å²	25	35.6 Å²	35.6	12%	0.123	18%	0.175	C	C	.	.	H	α-helix	trans	-56.8	-28.7	179.3	-48.5	-56.6	-51.8	0	0	113.7	E300 V334 I517 Y518	M296-E300 WeakPolarHBondContact O-CB 3.41Å; M296-E300 PolarHBondContact O-N 2.65Å; M296-V334 HydrophobicContact CE-CG2 4.14Å; M296-V334 HydrophobicContact CG-CG1 4.13Å; M296-V334 HydrophobicContact SD-CB 4.37Å; M296-V334 HydrophobicContact SD-CG1 4.04Å; M296-V334 HydrophobicContact SD-CG2 4.21Å; M296-I517 HydrophobicContact CE-CG2 3.92Å; M296-I517 WeakPolarHBondContact CE-O 3.3Å; M296-Y518 HydrophobicContact CB-CD1 4.47Å; M296-Y518 HydrophobicContact CB-CE1 3.61Å; M296-Y518 HydrophobicContact CE-CD1 4.4Å; M296-Y518 HydrophobicContact CG-CE1 4.27Å
297	V	94.2	Very high	94.6	Very high	13 Å²	13	29.4 Å²	29.4	8%	0.079	14%	0.142	C	C	.	.	H	α-helix	trans	-81.2	-28.4	178	64.7	0	0	0	0	112.3	S295 E299 E300 I301 V419 V475	S295-V297 PolarHBondContact O-N 3.1Å; S295-V297 VanDerWaalsContact O-N 3.1Å; S295-V297 WeakPolarHBondContact OG-CG1 3.27Å; V297-E299 VanDerWaalsContact C-N 3.26Å; V297-E299 PolarHBondContact O-N 3.36Å; V297-E300 PolarHBondContact O-N 2.91Å; V297-I301 WeakPolarHBondContact O-CG1 3.27Å; V297-I301 PolarHBondContact O-N 2.89Å; V297-V419 HydrophobicContact CG1-CB 4.24Å; V297-V419 HydrophobicContact CG1-CG1 3.95Å; V297-V419 WeakPolarHBondContact CG1-O 3.43Å; V297-V419 HydrophobicContact CG2-CG1 4.21Å; V297-V475 HydrophobicContact CG2-CB 4.34Å; V297-V475 HydrophobicContact CG2-CG2 4.3Å
298	T	94.7	Very high	94.5	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-67.8	-32.3	170.7	64.7	0	0	0	0	111.7	K292 S295 I301 G302 V303 I384 V419	K292-T298 HydrophobicContact CD-CG2 4.14Å; K292-T298 WeakPolarHBondContact CD-OG1 3.31Å; K292-T298 WeakPolarHBondContact CE-OG1 3.17Å; K292-T298 PolarHBondContact NZ-OG1 3.13Å; K292-T298 VanDerWaalsContact NZ-OG1 3.12Å; S295-T298 WeakPolarHBondContact CB-OG1 3.4Å; S295-T298 PolarHBondContact O-N 3.48Å; S295-T298 PolarHBondContact O-OG1 3.3Å; T298-I301 WeakPolarHBondContact O-CG1 3.49Å; T298-G302 PolarHBondContact O-N 2.88Å; T298-V303 HydrophobicContact CG2-CG1 4.4Å; T298-V303 PolarHBondContact O-N 2.94Å; T298-V303 VanDerWaalsContact O-N 3.11Å; T298-I384 HydrophobicContact CG2-CG2 3.99Å; T298-V419 HydrophobicContact CG2-CB 3.98Å; T298-V419 HydrophobicContact CG2-CG2 3.99Å
299	E	90.9	Very high	94.5	Very high	52 Å²	52	30.1 Å²	30.1	24%	0.243	16%	0.157	C	C	.	.	H	α-helix	trans	-73	-45.9	173.5	-159.2	62.5	-164.5	0	0	111.2	K292 S295 V297 I301 G302 I517	K292-E299 IonicContact NZ-OE2 3.79Å; S295-E299 PolarHBondContact O-N 3.37Å; V297-E299 VanDerWaalsContact C-N 3.26Å; V297-E299 PolarHBondContact O-N 3.36Å; E299-I301 PolarHBondContact O-N 3.29Å; E299-I301 VanDerWaalsContact O-N 3.16Å; E299-G302 PolarHBondContact O-N 2.88Å; E299-I517 HydrophobicContact CB-CG2 3.9Å; E299-I517 HydrophobicContact CG-CD1 4.11Å; E299-I517 HydrophobicContact CG-CG1 4.04Å; E299-I517 HydrophobicContact CG-CG2 3.87Å; E299-I517 WeakPolarHBondContact O-CD1 3.46Å
300	E	91.7	Very high	94.4	Very high	20 Å²	20	30.7 Å²	30.7	9%	0.093	17%	0.168	C	C	.	.	H	α-helix	trans	-52.9	-36.6	175.7	-174.7	-170.8	129.1	0	0	113	M296 V297 N477 R479 Y518	M296-E300 WeakPolarHBondContact O-CB 3.41Å; M296-E300 PolarHBondContact O-N 2.65Å; V297-E300 PolarHBondContact O-N 2.91Å; E300-N477 PolarHBondContact OE1-ND2 2.65Å; E300-R479 IonicContact OE1-CZ 3.75Å; E300-R479 IonicContact OE1-NH1 3.18Å; E300-R479 PolarHBondContact OE1-NH1 2.89Å; E300-R479 IonicContact OE1-NH2 3.03Å; E300-R479 PolarHBondContact OE1-NH2 3.36Å; E300-R479 IonicContact OE2-CZ 3.59Å; E300-R479 IonicContact OE2-NH1 2.66Å; E300-R479 IonicContact OE2-NH2 3.9Å; E300-R479 PolarHBondContact OE2-NH2 2.93Å; E300-Y518 HydrophobicContact CG-CE2 4.31Å; E300-Y518 VanDerWaalsContact OE2-CE2 3.26Å; E300-Y518 WeakPolarHBondContact OE2-CE2 3.47Å; E300-Y518 VanDerWaalsContact OE2-CZ 3.29Å; E300-Y518 PolarHBondContact OE2-OH 3.49Å
301	I	93.8	Very high	94.4	Very high	5 Å²	5	33.9 Å²	33.9	3%	0.026	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-9.6	177.8	72	177.2	0	0	0	114.2	K271 A274 T275 I278 V297 T298 E299 V303 V419 V475	K271-I301 HydrophobicContact CB-CB 3.71Å; K271-I301 HydrophobicContact CB-CG2 3.63Å; A274-I301 HydrophobicContact CB-CD1 3.72Å; A274-I301 HydrophobicContact CB-CG2 4.26Å; T275-I301 HydrophobicContact CG2-CB 3.99Å; T275-I301 HydrophobicContact CG2-CD1 3.93Å; T275-I301 HydrophobicContact CG2-CG1 3.79Å; T275-I301 WeakPolarHBondContact CG2-O 3.17Å; I278-I301 HydrophobicContact CD1-CD1 3.95Å; V297-I301 WeakPolarHBondContact O-CG1 3.27Å; V297-I301 PolarHBondContact O-N 2.89Å; T298-I301 WeakPolarHBondContact O-CG1 3.49Å; E299-I301 PolarHBondContact O-N 3.29Å; E299-I301 VanDerWaalsContact O-N 3.16Å; I301-V303 HydrophobicContact CD1-CB 4.13Å; I301-V303 HydrophobicContact CD1-CG2 4.48Å; I301-V303 HydrophobicContact CG1-CB 4.03Å; I301-V419 HydrophobicContact CD1-CG1 4.18Å; I301-V475 HydrophobicContact CG2-CG1 4.21Å
302	G	92.3	Very high	94.4	Very high	19 Å²	19	34.5 Å²	34.5	20%	0.196	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.5	31	-179.5	0	0	0	0	0	114.5	T298 E299 N304 H305 V306	T298-G302 PolarHBondContact O-N 2.88Å; E299-G302 PolarHBondContact O-N 2.88Å; G302-N304 PolarHBondContact O-N 3.13Å; G302-H305 PolarHBondContact O-N 2.76Å; G302-V306 PolarHBondContact O-N 2.73Å
303	V	95.6	Very high	94.4	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.006	23%	0.225	C	C	.	.	H	α-helix	trans	-61.6	-30.3	-170.5	79.8	0	0	0	0	113.6	T275 I278 K292 T298 I301 V306 L307	T275-V303 HydrophobicContact CG2-CB 4.19Å; T275-V303 HydrophobicContact CG2-CG2 4.27Å; I278-V303 HydrophobicContact CB-CG2 4.23Å; I278-V303 HydrophobicContact CD1-CG2 3.86Å; I278-V303 HydrophobicContact CG2-CG2 3.76Å; K292-V303 HydrophobicContact CD-CG1 4.24Å; T298-V303 HydrophobicContact CG2-CG1 4.4Å; T298-V303 PolarHBondContact O-N 2.94Å; T298-V303 VanDerWaalsContact O-N 3.11Å; I301-V303 HydrophobicContact CD1-CB 4.13Å; I301-V303 HydrophobicContact CD1-CG2 4.48Å; I301-V303 HydrophobicContact CG1-CB 4.03Å; V303-V306 PolarHBondContact O-N 3.47Å; V303-L307 HydrophobicContact CG2-CD1 4.01Å; V303-L307 HydrophobicContact CG2-CG 4.38Å; V303-L307 WeakPolarHBondContact O-CG 3.23Å; V303-L307 PolarHBondContact O-N 3.02Å; V303-L307 VanDerWaalsContact O-N 3.15Å
304	N	94	Very high	94.5	Very high	17 Å²	17	39 Å²	39	9%	0.091	23%	0.225	C	C	.	.	H	α-helix	trans	-60	-49.9	179.1	-71.8	12.4	0	0	0	110.6	K292 G302 L307 Q308 E316	K292-N304 WeakPolarHBondContact CE-OD1 3.34Å; K292-N304 PolarHBondContact NZ-ND2 3.11Å; K292-N304 PolarHBondContact NZ-OD1 3.21Å; G302-N304 PolarHBondContact O-N 3.13Å; N304-L307 PolarHBondContact O-N 2.97Å; N304-Q308 VanDerWaalsContact O-CB 3.3Å; N304-Q308 WeakPolarHBondContact O-CB 3.5Å; N304-Q308 WeakPolarHBondContact O-CG 3.4Å; N304-Q308 PolarHBondContact O-N 2.88Å; N304-Q308 PolarHBondContact O-OE1 3.28Å; N304-E316 PolarHBondContact ND2-OE1 3.28Å
305	H	93.5	Very high	94.8	Very high	114 Å²	114	37.9 Å²	37.9	53%	0.528	22%	0.22	S	C	.	.	H	α-helix	trans	-61.6	-49.7	179.5	-59.3	-48.6	0	0	0	111.6	G302 L307 Q308 D309	G302-H305 PolarHBondContact O-N 2.76Å; H305-L307 PolarHBondContact O-N 3.36Å; H305-L307 VanDerWaalsContact O-N 3.17Å; H305-Q308 PolarHBondContact O-N 2.84Å; H305-D309 WeakPolarHBondContact O-CB 3.23Å; H305-D309 PolarHBondContact O-N 3.34Å
306	V	96.7	Very high	95	Very high	45 Å²	45	37.5 Å²	37.5	27%	0.273	22%	0.216	S	C	.	.	H	α-helix	trans	-60.6	-31.9	-177.9	178.9	0	0	0	0	112.9	T275 L279 G302 V303	T275-V306 HydrophobicContact CG2-CB 4.47Å; T275-V306 HydrophobicContact CG2-CG2 4.09Å; L279-V306 HydrophobicContact CB-CG1 4.36Å; L279-V306 HydrophobicContact CD2-CG1 4.03Å; G302-V306 PolarHBondContact O-N 2.73Å; V303-V306 PolarHBondContact O-N 3.47Å
307	L	97.6	Very high	95.1	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.005	21%	0.21	C	C	.	.	H	α-helix	trans	-79.3	-40.8	174	-68.3	172	0	0	0	112.1	I278 L279 A282 V290 V303 N304 H305 A310 G311 I312 V314 I384	I278-L307 HydrophobicContact CG2-CD1 4.33Å; I278-L307 HydrophobicContact CG2-CD2 4.46Å; L279-L307 HydrophobicContact CD1-CD2 4.13Å; A282-L307 HydrophobicContact CB-CD2 3.89Å; V290-L307 HydrophobicContact CG2-CD1 4.46Å; V303-L307 HydrophobicContact CG2-CD1 4.01Å; V303-L307 HydrophobicContact CG2-CG 4.38Å; V303-L307 WeakPolarHBondContact O-CG 3.23Å; V303-L307 PolarHBondContact O-N 3.02Å; V303-L307 VanDerWaalsContact O-N 3.15Å; N304-L307 PolarHBondContact O-N 2.97Å; H305-L307 PolarHBondContact O-N 3.36Å; H305-L307 VanDerWaalsContact O-N 3.17Å; L307-A310 CarbonylContact O-C 3.37Å; L307-A310 WeakPolarHBondContact O-CB 3.43Å; L307-A310 PolarHBondContact O-N 2.94Å; L307-G311 PolarHBondContact O-N 3.29Å; L307-I312 HydrophobicContact CB-CB 4.34Å; L307-I312 HydrophobicContact CD2-CD1 4.02Å; L307-I312 VanDerWaalsContact O-CB 3.3Å; L307-I312 WeakPolarHBondContact O-CB 3.49Å; L307-I312 PolarHBondContact O-N 3.38Å; L307-V314 HydrophobicContact CB-CG2 3.51Å; L307-V314 HydrophobicContact CD1-CG2 3.84Å; L307-V314 HydrophobicContact CG-CG2 4.34Å; L307-I384 HydrophobicContact CD1-CD1 3.9Å
308	Q	96.3	Very high	95.1	Very high	82 Å²	82	36.6 Å²	36.6	38%	0.383	21%	0.212	S	C	.	.	H	α-helix	trans	-65.3	-41.6	178	-73.9	168.3	-26.1	0	0	112.4	N304 H305 A310 G311 V314	N304-Q308 VanDerWaalsContact O-CB 3.3Å; N304-Q308 WeakPolarHBondContact O-CB 3.5Å; N304-Q308 WeakPolarHBondContact O-CG 3.4Å; N304-Q308 PolarHBondContact O-N 2.88Å; N304-Q308 PolarHBondContact O-OE1 3.28Å; H305-Q308 PolarHBondContact O-N 2.84Å; Q308-A310 PolarHBondContact O-N 2.81Å; Q308-G311 WeakPolarHBondContact O-CA 3.15Å; Q308-G311 PolarHBondContact O-N 2.96Å; Q308-V314 HydrophobicContact CG-CB 4.46Å; Q308-V314 HydrophobicContact CG-CG2 4.27Å
309	D	96.4	Very high	94.9	Very high	140 Å²	140	36.7 Å²	36.7	75%	0.749	21%	0.212	S	C	*	.	H	α-helix	trans	-64.1	-28.4	174.9	-66.5	-26.8	0	0	0	111.7	H305 G311	H305-D309 WeakPolarHBondContact O-CB 3.23Å; H305-D309 PolarHBondContact O-N 3.34Å; D309-G311 PolarHBondContact O-N 3.48Å
310	A	96.7	Very high	94.9	Very high	45 Å²	45	34.2 Å²	34.2	37%	0.372	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	5.6	171	0	0	0	0	0	113.9	L279 L307 Q308 I312	L279-A310 HydrophobicContact CD1-CB 3.48Å; L279-A310 VanDerWaalsContact CD1-CB 3.48Å; L279-A310 HydrophobicContact CD2-CB 4.46Å; L307-A310 CarbonylContact O-C 3.37Å; L307-A310 WeakPolarHBondContact O-CB 3.43Å; L307-A310 PolarHBondContact O-N 2.94Å; Q308-A310 PolarHBondContact O-N 2.81Å; A310-I312 HydrophobicContact CB-CD1 4.48Å; A310-I312 HydrophobicContact CB-CG1 4.43Å
311	G	97.1	Very high	94.8	Very high	68 Å²	68	34 Å²	34	70%	0.701	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	80.5	13.6	178.9	0	0	0	0	0	115.2	L307 Q308 D309	L307-G311 PolarHBondContact O-N 3.29Å; Q308-G311 WeakPolarHBondContact O-CA 3.15Å; Q308-G311 PolarHBondContact O-N 2.96Å; D309-G311 PolarHBondContact O-N 3.48Å
312	I	98.1	Very high	94.8	Very high	12 Å²	12	34.3 Å²	34.3	6%	0.062	20%	0.2	C	C	.	.			trans	-96.3	125.7	-177.1	-51.5	178.8	0	0	0	109.6	L279 A282 V290 L307 A310 V314	L279-I312 HydrophobicContact CD1-CD1 4.22Å; A282-I312 HydrophobicContact CB-CD1 3.72Å; V290-I312 HydrophobicContact CG2-CG2 3.65Å; L307-I312 HydrophobicContact CB-CB 4.34Å; L307-I312 HydrophobicContact CD2-CD1 4.02Å; L307-I312 VanDerWaalsContact O-CB 3.3Å; L307-I312 WeakPolarHBondContact O-CB 3.49Å; L307-I312 PolarHBondContact O-N 3.38Å; A310-I312 HydrophobicContact CB-CD1 4.48Å; A310-I312 HydrophobicContact CB-CG1 4.43Å; I312-V314 PolarHBondContact O-N 2.84Å
313	Q	97.3	Very high	94.9	Very high	100 Å²	100	33.4 Å²	33.4	47%	0.467	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	108.1	179.9	-173.4	-178.5	18.9	0	0	110.4	R288 K289 V290 I315	R288-Q313 WeakPolarHBondContact O-CB 3.41Å; R288-Q313 PolarHBondContact O-N 2.72Å; K289-Q313 CarbonylContact C-O 3.53Å; K289-Q313 WeakPolarHBondContact CA-O 3.24Å; K289-Q313 VanDerWaalsContact CE-OE1 3.28Å; V290-Q313 PolarHBondContact N-O 3.26Å; Q313-I315 HydrophobicContact CG-CD1 3.99Å; Q313-I315 HydrophobicContact CG-CG1 4.27Å
314	V	96.8	Very high	94.6	Very high	5 Å²	5	33.5 Å²	33.5	3%	0.03	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	125.5	172.3	-173.4	0	0	0	0	109.9	V290 K292 L307 Q308 I312 Q325	V290-V314 HydrophobicContact CB-CG2 4.38Å; V290-V314 CarbonylContact O-C 3.51Å; V290-V314 WeakPolarHBondContact O-CA 3.37Å; K292-V314 HydrophobicContact CB-CG1 4.4Å; L307-V314 HydrophobicContact CB-CG2 3.51Å; L307-V314 HydrophobicContact CD1-CG2 3.84Å; L307-V314 HydrophobicContact CG-CG2 4.34Å; Q308-V314 HydrophobicContact CG-CB 4.46Å; Q308-V314 HydrophobicContact CG-CG2 4.27Å; I312-V314 PolarHBondContact O-N 2.84Å; V314-Q325 PolarHBondContact O-NE2 3.17Å
315	I	95.8	Very high	94.6	Very high	14 Å²	14	35 Å²	35	7%	0.072	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	121.8	176.6	-59.5	-60.5	0	0	0	109.2	K289 V290 V291 K292 Q313 T317 Y322 D376	K289-I315 HydrophobicContact CG-CG1 4.48Å; V290-I315 PolarHBondContact O-N 3.45Å; V291-I315 HydrophobicContact CG1-CB 4.43Å; K292-I315 PolarHBondContact N-O 2.93Å; Q313-I315 HydrophobicContact CG-CD1 3.99Å; Q313-I315 HydrophobicContact CG-CG1 4.27Å; I315-T317 HydrophobicContact CG2-CG2 4.42Å; I315-Y322 HydrophobicContact CG2-CD2 4.18Å; I315-Y322 HydrophobicContact CG2-CE2 4.09Å; I315-D376 HydrophobicContact CG1-CB 4.38Å; I315-D376 HydrophobicContact CG2-CB 4.28Å
316	E	94.8	Very high	94.5	Very high	9 Å²	9	30.8 Å²	30.8	4%	0.042	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	139.5	166.4	-66.1	-65.3	170	0	0	109.8	K292 N304 E321 Y322 Q325	K292-E316 WeakPolarHBondContact CE-OE1 3.31Å; K292-E316 WeakPolarHBondContact CE-OE2 3.46Å; K292-E316 IonicContact NZ-OE1 3.51Å; K292-E316 PolarHBondContact NZ-OE1 3.46Å; K292-E316 IonicContact NZ-OE2 3.79Å; N304-E316 PolarHBondContact ND2-OE1 3.28Å; E316-E321 HydrophobicContact CB-CB 3.89Å; E316-E321 HydrophobicContact CG-CB 4.08Å; E316-Y322 VanDerWaalsContact O-CD2 3.27Å; E316-Y322 WeakPolarHBondContact O-CD2 3.3Å; E316-Q325 HydrophobicContact CB-CB 4.46Å; E316-Q325 HydrophobicContact CG-CB 4.18Å; E316-Q325 HydrophobicContact CG-CG 4.44Å
317	T	93.8	Very high	94.3	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	18%	0.178	C	C	.	.			trans	-120.6	9.3	-174.9	70.7	0	0	0	0	114.3	V291 K292 I315 I373 F377 N405	V291-T317 HydrophobicContact CB-CG2 3.74Å; V291-T317 HydrophobicContact CG1-CG2 3.88Å; K292-T317 PolarHBondContact O-N 3.32Å; K292-T317 PolarHBondContact O-OG1 2.97Å; I315-T317 HydrophobicContact CG2-CG2 4.42Å; T317-I373 HydrophobicContact CG2-CG2 3.94Å; T317-F377 VanDerWaalsContact CB-CZ 3.46Å; T317-F377 HydrophobicContact CG2-CD1 4.33Å; T317-F377 HydrophobicContact CG2-CE1 3.6Å; T317-F377 HydrophobicContact CG2-CE2 4.47Å; T317-F377 HydrophobicContact CG2-CZ 3.7Å; T317-N405 WeakPolarHBondContact O-CB 3.38Å; T317-N405 PolarHBondContact O-ND2 2.72Å
318	D	92.4	Very high	93.8	Very high	20 Å²	20	38.4 Å²	38.4	11%	0.107	21%	0.213	C	C	.	.	S	Bend	trans	-93.3	131.6	169.3	-160.3	-113.6	0	0	0	107.1	K294 G320 E321 Y322 N405	K294-D318 HydrophobicContact CB-CB 3.68Å; K294-D318 HydrophobicContact CD-CB 4.5Å; K294-D318 VanDerWaalsContact CD-OD1 3.24Å; K294-D318 WeakPolarHBondContact CD-OD1 3.44Å; D318-G320 VanDerWaalsContact C-N 3.3Å; D318-G320 PolarHBondContact O-N 3.32Å; D318-E321 HydrophobicContact CB-CB 4.05Å; D318-E321 HydrophobicContact CB-CG 3.79Å; D318-E321 PolarHBondContact O-N 2.85Å; D318-Y322 PolarHBondContact O-N 3.5Å; D318-N405 WeakPolarHBondContact CA-ND2 3.49Å; D318-N405 WeakPolarHBondContact CB-ND2 3.44Å; D318-N405 PolarHBondContact OD2-ND2 3.43Å
319	L	91.7	Very high	93.1	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.005	21%	0.206	C	C	.	.	H	α-helix	trans	-53.4	-48	-166.2	-177.7	65	0	0	0	112.3	I323 T366 I369 E403 T844 V855	L319-I323 HydrophobicContact CD1-CD1 4.24Å; L319-I323 HydrophobicContact CG-CD1 4.05Å; L319-I323 WeakPolarHBondContact O-CD1 3.42Å; L319-I323 VanDerWaalsContact O-CG1 3.29Å; L319-I323 WeakPolarHBondContact O-CG1 3.39Å; L319-I323 PolarHBondContact O-N 2.96Å; L319-I323 VanDerWaalsContact O-N 3.14Å; L319-T366 HydrophobicContact CD2-CG2 4.04Å; L319-I369 HydrophobicContact CD1-CB 3.95Å; L319-I369 HydrophobicContact CD1-CD1 3.55Å; L319-I369 HydrophobicContact CD1-CG1 4.36Å; L319-I369 HydrophobicContact CD1-CG2 3.64Å; L319-E403 WeakPolarHBondContact CB-OE1 3.48Å; L319-E403 PolarHBondContact N-OE2 3Å; L319-T844 HydrophobicContact CD2-CG2 3.6Å; L319-V855 HydrophobicContact CB-CG1 4.38Å
320	G	90.6	Very high	92.3	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-65.9	-41.7	176.6	0	0	0	0	0	113.5	D318 Y322 I323 L324 D846	D318-G320 VanDerWaalsContact C-N 3.3Å; D318-G320 PolarHBondContact O-N 3.32Å; G320-Y322 VanDerWaalsContact C-N 3.34Å; G320-Y322 PolarHBondContact O-N 3.02Å; G320-I323 PolarHBondContact O-N 3.28Å; G320-L324 WeakPolarHBondContact O-CB 3.45Å; G320-L324 WeakPolarHBondContact O-CD1 3.33Å; G320-L324 WeakPolarHBondContact O-CG 3.47Å; G320-L324 PolarHBondContact O-N 3.2Å; G320-D846 VanDerWaalsContact CA-OD2 3.26Å; G320-D846 WeakPolarHBondContact CA-OD2 3.19Å; G320-D846 PolarHBondContact N-OD2 2.73Å
321	E	90.5	Very high	91.8	Very high	16 Å²	16	32.6 Å²	32.6	8%	0.075	18%	0.184	C	C	.	.	H	α-helix	trans	-66.8	-34.3	177.9	-55.2	-62.9	172	0	0	111.8	K294 E316 D318 L324 Q325 P331 P337	K294-E321 HydrophobicContact CB-CG 3.9Å; K294-E321 HydrophobicContact CD-CG 3.9Å; K294-E321 WeakPolarHBondContact CD-OE1 3.49Å; K294-E321 WeakPolarHBondContact CE-OE1 3.12Å; K294-E321 HydrophobicContact CG-CG 3.95Å; K294-E321 IonicContact NZ-OE1 2.97Å; K294-E321 PolarHBondContact NZ-OE1 3.04Å; E316-E321 HydrophobicContact CB-CB 3.89Å; E316-E321 HydrophobicContact CG-CB 4.08Å; D318-E321 HydrophobicContact CB-CB 4.05Å; D318-E321 HydrophobicContact CB-CG 3.79Å; D318-E321 PolarHBondContact O-N 2.85Å; E321-L324 PolarHBondContact O-N 3.43Å; E321-Q325 WeakPolarHBondContact O-CB 3.24Å; E321-Q325 PolarHBondContact O-N 3.09Å; E321-P331 WeakPolarHBondContact OE2-CB 3.26Å; E321-P337 HydrophobicContact CG-CG 3.98Å; E321-P337 WeakPolarHBondContact OE1-CB 3.28Å; E321-P337 WeakPolarHBondContact OE1-CG 3.47Å
322	Y	94	Very high	91.1	Very high	11 Å²	11	29.4 Å²	29.4	4%	0.043	15%	0.151	C	C	.	.	H	α-helix	trans	-67.6	-45.4	175.4	-178.8	-104	0	0	0	112.1	I315 E316 D318 G320 L324 Q325 L326 L354 I369 I373	I315-Y322 HydrophobicContact CG2-CD2 4.18Å; I315-Y322 HydrophobicContact CG2-CE2 4.09Å; E316-Y322 VanDerWaalsContact O-CD2 3.27Å; E316-Y322 WeakPolarHBondContact O-CD2 3.3Å; D318-Y322 PolarHBondContact O-N 3.5Å; G320-Y322 VanDerWaalsContact C-N 3.34Å; G320-Y322 PolarHBondContact O-N 3.02Å; Y322-L324 PolarHBondContact O-N 3.04Å; Y322-Q325 PolarHBondContact O-N 2.9Å; Y322-L326 HydrophobicContact CD1-CD1 3.98Å; Y322-L326 HydrophobicContact CD1-CG 4.48Å; Y322-L326 HydrophobicContact CE1-CD1 3.64Å; Y322-L326 HydrophobicContact CE1-CG 4.27Å; Y322-L326 WeakPolarHBondContact O-CG 3.43Å; Y322-L326 PolarHBondContact O-N 2.84Å; Y322-L354 HydrophobicContact CE1-CD1 4.17Å; Y322-I369 HydrophobicContact CD1-CG2 3.62Å; Y322-I369 HydrophobicContact CE1-CG1 4.45Å; Y322-I369 HydrophobicContact CE1-CG2 3.78Å; Y322-I373 HydrophobicContact CD1-CD1 3.73Å; Y322-I373 HydrophobicContact CD1-CG1 4.29Å; Y322-I373 HydrophobicContact CD2-CD1 3.76Å; Y322-I373 HydrophobicContact CD2-CG1 4.1Å; Y322-I373 HydrophobicContact CE1-CD1 4.08Å; Y322-I373 HydrophobicContact CE1-CG1 4.12Å; Y322-I373 HydrophobicContact CE2-CD1 4.1Å; Y322-I373 HydrophobicContact CE2-CG1 3.93Å; Y322-I373 HydrophobicContact CG-CD1 3.53Å; Y322-I373 HydrophobicContact CG-CG1 4.25Å
323	I	92.8	Very high	90.6	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-58.1	-40.6	174.3	-70.6	163.8	0	0	0	110.6	L319 G320 D327 I346 I369 I847	L319-I323 HydrophobicContact CD1-CD1 4.24Å; L319-I323 HydrophobicContact CG-CD1 4.05Å; L319-I323 WeakPolarHBondContact O-CD1 3.42Å; L319-I323 VanDerWaalsContact O-CG1 3.29Å; L319-I323 WeakPolarHBondContact O-CG1 3.39Å; L319-I323 PolarHBondContact O-N 2.96Å; L319-I323 VanDerWaalsContact O-N 3.14Å; G320-I323 PolarHBondContact O-N 3.28Å; I323-D327 PolarHBondContact O-N 3.34Å; I323-I346 HydrophobicContact CD1-CG2 3.85Å; I323-I346 HydrophobicContact CG1-CG2 4.29Å; I323-I346 HydrophobicContact CG2-CB 4.48Å; I323-I346 HydrophobicContact CG2-CD1 4.44Å; I323-I346 HydrophobicContact CG2-CG1 3.95Å; I323-I346 HydrophobicContact CG2-CG2 4.05Å; I323-I369 HydrophobicContact CD1-CD1 3.99Å; I323-I369 HydrophobicContact CG1-CD1 3.9Å; I323-I847 HydrophobicContact CD1-CD1 4.44Å
324	L	90.2	Very high	90.1	Very high	3 Å²	3	25 Å²	25	2%	0.016	13%	0.131	C	C	.	.	H	α-helix	trans	-68.7	-40.8	176.3	-75.3	170.8	0	0	0	112.9	G320 E321 Y322 L326 D327 Q328 D329 P331 P337 A338 K341	G320-L324 WeakPolarHBondContact O-CB 3.45Å; G320-L324 WeakPolarHBondContact O-CD1 3.33Å; G320-L324 WeakPolarHBondContact O-CG 3.47Å; G320-L324 PolarHBondContact O-N 3.2Å; E321-L324 PolarHBondContact O-N 3.43Å; Y322-L324 PolarHBondContact O-N 3.04Å; L324-L326 VanDerWaalsContact C-N 3.32Å; L324-L326 PolarHBondContact O-N 3.02Å; L324-D327 CarbonylContact O-C 3.5Å; L324-D327 PolarHBondContact O-N 3.23Å; L324-Q328 PolarHBondContact O-N 3.33Å; L324-D329 VanDerWaalsContact CB-O 3.31Å; L324-D329 WeakPolarHBondContact CB-O 3.35Å; L324-D329 HydrophobicContact CD2-CB 3.98Å; L324-D329 WeakPolarHBondContact CD2-O 3.12Å; L324-D329 PolarHBondContact O-N 3.2Å; L324-D329 VanDerWaalsContact O-N 3.11Å; L324-P331 HydrophobicContact CD1-CB 4.18Å; L324-P337 HydrophobicContact CD1-CB 3.73Å; L324-P337 HydrophobicContact CD1-CG 4.19Å; L324-A338 HydrophobicContact CD1-CB 4.19Å; L324-A338 HydrophobicContact CD2-CB 4.48Å; L324-A338 HydrophobicContact CG-CB 4.14Å; L324-K341 HydrophobicContact CD2-CD 4.41Å; L324-K341 VanDerWaalsContact CD2-CE 3.46Å
325	Q	93	Very high	89.5	Confident	48 Å²	48	26.3 Å²	26.3	22%	0.224	14%	0.139	C	C	.	.	H	α-helix	trans	-61	-39.6	174.9	-172.1	-179.6	43.5	0	0	111.8	V314 E316 E321 Y322 Q328	V314-Q325 PolarHBondContact O-NE2 3.17Å; E316-Q325 HydrophobicContact CB-CB 4.46Å; E316-Q325 HydrophobicContact CG-CB 4.18Å; E316-Q325 HydrophobicContact CG-CG 4.44Å; E321-Q325 WeakPolarHBondContact O-CB 3.24Å; E321-Q325 PolarHBondContact O-N 3.09Å; Y322-Q325 PolarHBondContact O-N 2.9Å; Q325-Q328 PolarHBondContact O-N 3.48Å
326	L	92.8	Very high	88.9	Confident	27 Å²	27	26.3 Å²	26.3	14%	0.141	14%	0.14	C	C	.	.	H	α-helix	trans	-64.5	-42.2	174.1	-68.9	174.4	0	0	0	112.1	Y322 L324 Q328 V349 L350 R353 L354	Y322-L326 HydrophobicContact CD1-CD1 3.98Å; Y322-L326 HydrophobicContact CD1-CG 4.48Å; Y322-L326 HydrophobicContact CE1-CD1 3.64Å; Y322-L326 HydrophobicContact CE1-CG 4.27Å; Y322-L326 WeakPolarHBondContact O-CG 3.43Å; Y322-L326 PolarHBondContact O-N 2.84Å; L324-L326 VanDerWaalsContact C-N 3.32Å; L324-L326 PolarHBondContact O-N 3.02Å; L326-Q328 VanDerWaalsContact C-N 3.31Å; L326-V349 HydrophobicContact CB-CG1 3.73Å; L326-L350 HydrophobicContact CD1-CD2 3.95Å; L326-R353 HydrophobicContact CB-CG 4.29Å; L326-R353 HydrophobicContact CD2-CB 4.23Å; L326-R353 VanDerWaalsContact O-CZ 3.28Å; L326-R353 PolarHBondContact O-NE 3Å; L326-R353 PolarHBondContact O-NH2 2.83Å; L326-L354 HydrophobicContact CD1-CD1 3.72Å; L326-L354 HydrophobicContact CD1-CG 4.24Å; L326-L354 HydrophobicContact CD2-CD1 4.48Å; L326-L354 HydrophobicContact CD2-CD2 4.39Å; L326-L354 HydrophobicContact CD2-CG 4.38Å
327	D	91.7	Very high	88.5	Confident	46 Å²	46	25.9 Å²	25.9	25%	0.246	14%	0.138	C	C	.	.	H	α-helix	trans	-79.6	-12.6	179.9	-149.9	19.1	0	0	0	113.2	I323 L324 D329 K341 V349	I323-D327 PolarHBondContact O-N 3.34Å; L324-D327 CarbonylContact O-C 3.5Å; L324-D327 PolarHBondContact O-N 3.23Å; D327-D329 VanDerWaalsContact C-N 3.3Å; D327-D329 HydrophobicContact CB-CB 4.36Å; D327-K341 VanDerWaalsContact OD2-CE 3.31Å; D327-K341 WeakPolarHBondContact OD2-CE 3.38Å; D327-K341 IonicContact OD2-NZ 3.85Å; D327-K341 PolarHBondContact OD2-NZ 2.97Å; D327-V349 HydrophobicContact CB-CG1 4.07Å; D327-V349 HydrophobicContact CB-CG2 3.92Å; D327-V349 VanDerWaalsContact CG-CG2 3.4Å; D327-V349 WeakPolarHBondContact OD1-CG2 3.17Å
328	Q	87.1	Confident	88.2	Confident	160 Å²	160	25.9 Å²	25.9	75%	0.748	14%	0.138	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.9	34.8	-172.2	-56.3	176.8	2.6	0	0	113.3	L324 Q325 L326	L324-Q328 PolarHBondContact O-N 3.33Å; Q325-Q328 PolarHBondContact O-N 3.48Å; L326-Q328 VanDerWaalsContact C-N 3.31Å
329	D	82.4	Confident	87.8	Confident	43 Å²	43	25.5 Å²	25.5	23%	0.23	14%	0.136	C	C	.	.			trans	-110.8	127.8	-178.4	-169.8	-22.4	0	0	0	110.2	L324 D327 H340 K341 H512	L324-D329 VanDerWaalsContact CB-O 3.31Å; L324-D329 WeakPolarHBondContact CB-O 3.35Å; L324-D329 HydrophobicContact CD2-CB 3.98Å; L324-D329 WeakPolarHBondContact CD2-O 3.12Å; L324-D329 PolarHBondContact O-N 3.2Å; L324-D329 VanDerWaalsContact O-N 3.11Å; D327-D329 VanDerWaalsContact C-N 3.3Å; D327-D329 HydrophobicContact CB-CB 4.36Å; D329-H340 IonicContact OD1-NE2 3.44Å; D329-H340 IonicContact OD2-NE2 3.75Å; D329-H340 PolarHBondContact OD2-NE2 3.18Å; D329-K341 IonicContact OD2-NZ 3.95Å; D329-K341 PolarHBondContact OD2-NZ 3.48Å; D329-H512 IonicContact OD1-CE1 2.67Å; D329-H512 PolarHBondContact OD1-CE1 3.06Å; D329-H512 VanDerWaalsContact OD1-CE1 3.3Å; D329-H512 IonicContact OD1-NE2 3.7Å; D329-H512 PolarHBondContact OD1-NE2 3.13Å
330	P	79.7	Confident	87.3	Confident	74 Å²	74	26.2 Å²	26.2	48%	0.481	14%	0.139	S	C	.	.			trans	-67	154.9	-177.8	23.4	-33	0	0	0	114.6	S332 H512	P330-S332 PolarHBondContact O-N 2.84Å; P330-H512 PolarHBondContact O-NE2 2.71Å
331	P	86.2	Confident	87.1	Confident	27 Å²	27	26.9 Å²	26.9	18%	0.175	14%	0.142	C	C	.	.			trans	-64.2	132.2	176.4	22.8	-31.8	0	0	0	113.2	E321 L324 P337	E321-P331 WeakPolarHBondContact OE2-CB 3.26Å; L324-P331 HydrophobicContact CD1-CB 4.18Å; P331-P337 HydrophobicContact CB-CB 3.74Å
332	S	80.6	Confident	87	Confident	1 Å²	1	27.5 Å²	27.5	1%	0.007	15%	0.146	C	C	.	.			trans	-94.1	-16.7	-179.7	67.2	0	0	0	0	114.2	P330 P337 I339 H340 Y506 G511	P330-S332 PolarHBondContact O-N 2.84Å; S332-P337 PolarHBondContact N-O 2.75Å; S332-P337 VanDerWaalsContact N-O 3.12Å; S332-P337 PolarHBondContact OG-O 3.35Å; S332-I339 WeakPolarHBondContact OG-CG2 3.47Å; S332-H340 VanDerWaalsContact CB-ND1 3.29Å; S332-H340 WeakPolarHBondContact CB-ND1 3.13Å; S332-H340 PolarHBondContact OG-ND1 3.39Å; S332-Y506 PolarHBondContact O-OH 3.12Å; S332-Y506 VanDerWaalsContact O-OH 3.11Å; S332-G511 WeakPolarHBondContact O-CA 3.26Å
333	H	87.9	Confident	86.8	Confident	2 Å²	2	30.5 Å²	30.5	1%	0.009	16%	0.157	C	C	.	.			trans	-149.5	140.6	-174	-178.3	-105.5	0	0	0	114	K294 V335 V336 P337 I339 N501 Y506	K294-H333 PolarHBondContact NZ-O 3.5Å; H333-V335 VanDerWaalsContact C-N 3.3Å; H333-V335 PolarHBondContact ND1-N 2.79Å; H333-V335 PolarHBondContact O-N 3.4Å; H333-V336 WeakPolarHBondContact CB-O 3.49Å; H333-V336 PolarHBondContact ND1-N 2.62Å; H333-P337 WeakPolarHBondContact O-CA 3.49Å; H333-I339 HydrophobicContact CB-CG2 3.6Å; H333-N501 PolarHBondContact NE2-OD1 3.01Å; H333-Y506 WeakPolarHBondContact CB-OH 3.39Å; H333-Y506 AromaticContact CD2-CZ 3.92Å; H333-Y506 PolarHBondContact CD2-OH 3.24Å
334	V	86.5	Confident	86.8	Confident	18 Å²	18	34.9 Å²	34.9	11%	0.109	18%	0.177	C	C	.	.	S	Bend	trans	-69	-25.3	-169.2	-179.9	0	0	0	0	113.1	K294 M296 R495 M500	K294-V334 WeakPolarHBondContact CE-O 3.4Å; M296-V334 HydrophobicContact CE-CG2 4.14Å; M296-V334 HydrophobicContact CG-CG1 4.13Å; M296-V334 HydrophobicContact SD-CB 4.37Å; M296-V334 HydrophobicContact SD-CG1 4.04Å; M296-V334 HydrophobicContact SD-CG2 4.21Å; V334-R495 HydrophobicContact CG1-CB 4.29Å; V334-R495 VanDerWaalsContact CG1-O 3.22Å; V334-R495 WeakPolarHBondContact CG1-O 3.42Å; V334-M500 HydrophobicContact CB-SD 4.16Å; V334-M500 HydrophobicContact CG2-CE 4.08Å; V334-M500 HydrophobicContact CG2-SD 3.67Å
335	V	84.1	Confident	86.8	Confident	32 Å²	32	37.4 Å²	37.4	19%	0.194	19%	0.189	C	C	.	.	S	Bend	trans	-94.4	-85.5	173	-168.4	0	0	0	0	109	K294 H333 P337 A443 V444	K294-V335 PolarHBondContact NZ-O 3.33Å; H333-V335 VanDerWaalsContact C-N 3.3Å; H333-V335 PolarHBondContact ND1-N 2.79Å; H333-V335 PolarHBondContact O-N 3.4Å; V335-P337 WeakPolarHBondContact O-CD 3.44Å; V335-A443 HydrophobicContact CG2-CB 4.01Å; V335-V444 HydrophobicContact CG1-CG1 3.73Å
336	V	85.2	Confident	86.8	Confident	14 Å²	14	35.2 Å²	35.2	9%	0.085	18%	0.179	C	C	.	.	S	Bend	trans	-86	97.6	178.8	-69.8	0	0	0	0	112.3	H333 I339 D846 L849	H333-V336 WeakPolarHBondContact CB-O 3.49Å; H333-V336 PolarHBondContact ND1-N 2.62Å; V336-I339 HydrophobicContact CG2-CB 4.16Å; V336-I339 HydrophobicContact CG2-CD1 3.78Å; V336-I339 HydrophobicContact CG2-CG1 4.42Å; V336-I339 WeakPolarHBondContact O-CB 3.46Å; V336-I339 WeakPolarHBondContact O-CG2 3.38Å; V336-D846 WeakPolarHBondContact CA-OD1 3.5Å; V336-D846 VanDerWaalsContact CB-OD1 3.28Å; V336-D846 WeakPolarHBondContact CB-OD1 3.48Å; V336-D846 VanDerWaalsContact CG1-OD1 3.29Å; V336-D846 WeakPolarHBondContact CG1-OD1 3.32Å; V336-L849 HydrophobicContact CG1-CD2 3.96Å; V336-L849 HydrophobicContact CG2-CD2 4.27Å
337	P	86.2	Confident	86.9	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-36	-160.8	27.5	-29.2	0	0	0	114.6	K294 E321 L324 P331 S332 H333 V335 I339 D846	K294-P337 VanDerWaalsContact NZ-CB 3.27Å; K294-P337 VanDerWaalsContact NZ-CD 3.34Å; K294-P337 VanDerWaalsContact NZ-CG 3.3Å; E321-P337 HydrophobicContact CG-CG 3.98Å; E321-P337 WeakPolarHBondContact OE1-CB 3.28Å; E321-P337 WeakPolarHBondContact OE1-CG 3.47Å; L324-P337 HydrophobicContact CD1-CB 3.73Å; L324-P337 HydrophobicContact CD1-CG 4.19Å; P331-P337 HydrophobicContact CB-CB 3.74Å; S332-P337 PolarHBondContact N-O 2.75Å; S332-P337 VanDerWaalsContact N-O 3.12Å; S332-P337 PolarHBondContact OG-O 3.35Å; H333-P337 WeakPolarHBondContact O-CA 3.49Å; V335-P337 WeakPolarHBondContact O-CD 3.44Å; P337-I339 PolarHBondContact O-N 3.01Å; P337-D846 WeakPolarHBondContact CD-OD1 3.43Å
338	A	86.3	Confident	87	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	12.1	-177.7	0	0	0	0	0	113.8	L324 H340 K341	L324-A338 HydrophobicContact CD1-CB 4.19Å; L324-A338 HydrophobicContact CD2-CB 4.48Å; L324-A338 HydrophobicContact CG-CB 4.14Å; A338-H340 PolarHBondContact O-N 2.96Å; A338-K341 PolarHBondContact O-N 2.95Å
339	I	85.1	Confident	87.3	Confident	12 Å²	12	34 Å²	34	6%	0.062	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50	-16.8	-178.8	-176	162.3	0	0	0	116.1	A207 V208 A211 S332 H333 V336 P337	A207-I339 WeakPolarHBondContact CB-O 3.42Å; V208-I339 HydrophobicContact CG2-CG1 4.24Å; A211-I339 HydrophobicContact CB-CD1 3.24Å; A211-I339 HydrophobicContact CB-CG1 4.01Å; S332-I339 WeakPolarHBondContact OG-CG2 3.47Å; H333-I339 HydrophobicContact CB-CG2 3.6Å; V336-I339 HydrophobicContact CG2-CB 4.16Å; V336-I339 HydrophobicContact CG2-CD1 3.78Å; V336-I339 HydrophobicContact CG2-CG1 4.42Å; V336-I339 WeakPolarHBondContact O-CB 3.46Å; V336-I339 WeakPolarHBondContact O-CG2 3.38Å; P337-I339 PolarHBondContact O-N 3.01Å
340	H	80.8	Confident	87.9	Confident	17 Å²	17	32 Å²	32	8%	0.079	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88	-10.7	176.3	61.6	-93.7	0	0	0	113.7	M204 D329 S332 A338 H512	M204-H340 HydrophobicContact CB-CB 4.32Å; M204-H340 HydrophobicContact CG-CB 3.74Å; D329-H340 IonicContact OD1-NE2 3.44Å; D329-H340 IonicContact OD2-NE2 3.75Å; D329-H340 PolarHBondContact OD2-NE2 3.18Å; S332-H340 VanDerWaalsContact CB-ND1 3.29Å; S332-H340 WeakPolarHBondContact CB-ND1 3.13Å; S332-H340 PolarHBondContact OG-ND1 3.39Å; A338-H340 PolarHBondContact O-N 2.96Å; H340-H512 AromaticContact CD2-CE1 3.82Å; H340-H512 AromaticContact CE1-CE1 3.39Å; H340-H512 PolarHBondContact CE1-CE1 2.99Å; H340-H512 AromaticContact CE1-NE2 3.82Å; H340-H512 AromaticContact CG-CE1 3.74Å; H340-H512 AromaticContact ND1-CE1 3.49Å; H340-H512 PolarHBondContact ND1-CE1 3.03Å; H340-H512 AromaticContact NE2-CE1 3.64Å
341	K	85.4	Confident	88.7	Confident	13 Å²	13	33 Å²	33	6%	0.057	15%	0.15	C	C	.	.			trans	-99.4	143.3	178.7	-55.9	-170.7	-172.9	-73	0	111.8	L324 D327 D329 A338 Q345 I346	L324-K341 HydrophobicContact CD2-CD 4.41Å; L324-K341 VanDerWaalsContact CD2-CE 3.46Å; D327-K341 VanDerWaalsContact OD2-CE 3.31Å; D327-K341 WeakPolarHBondContact OD2-CE 3.38Å; D327-K341 IonicContact OD2-NZ 3.85Å; D327-K341 PolarHBondContact OD2-NZ 2.97Å; D329-K341 IonicContact OD2-NZ 3.95Å; D329-K341 PolarHBondContact OD2-NZ 3.48Å; A338-K341 PolarHBondContact O-N 2.95Å; K341-Q345 VanDerWaalsContact CA-OE1 3.22Å; K341-Q345 HydrophobicContact CB-CB 4.47Å; K341-I346 HydrophobicContact CB-CD1 4.24Å; K341-I346 HydrophobicContact CB-CG1 4.02Å
342	D	88.4	Confident	89.1	Confident	30 Å²	30	37.7 Å²	37.7	16%	0.16	17%	0.169	C	C	.	.			trans	-91.4	169.7	167.1	71.2	38.4	0	0	0	111.9	I203 H344 Q345 I346	I203-D342 HydrophobicContact CG2-CB 4.47Å; D342-H344 VanDerWaalsContact C-N 3.25Å; D342-H344 PolarHBondContact O-N 2.94Å; D342-H344 WeakPolarHBondContact OD1-CA 3.4Å; D342-H344 VanDerWaalsContact OD1-CB 3.24Å; D342-H344 WeakPolarHBondContact OD1-CB 3.41Å; D342-H344 IonicContact OD1-CD2 3.05Å; D342-H344 IonicContact OD1-CG 3.43Å; D342-H344 PolarHBondContact OD1-N 2.81Å; D342-Q345 PolarHBondContact O-N 2.77Å; D342-Q345 WeakPolarHBondContact OD1-CG 3.39Å; D342-Q345 PolarHBondContact OD1-N 3.47Å; D342-I346 WeakPolarHBondContact O-CG1 3.43Å; D342-I346 PolarHBondContact O-N 3.46Å; D342-I346 VanDerWaalsContact O-N 3.13Å
343	R	90.9	Very high	89.8	Confident	73 Å²	73	43.6 Å²	43.6	28%	0.275	19%	0.191	S	C	.	.	H	α-helix	trans	-67.5	-22.8	-178.2	71.9	176.3	-174.5	-81	-17.9	113.9	R347 E360 M365 I847 E848	R343-R347 WeakPolarHBondContact O-CB 3.42Å; R343-R347 PolarHBondContact O-N 3.01Å; R343-E360 HydrophobicContact CG-CG 4.07Å; R343-E360 IonicContact CZ-OE1 3.28Å; R343-E360 IonicContact NE-OE1 2.71Å; R343-E360 PolarHBondContact NE-OE1 3.26Å; R343-E360 IonicContact NH2-OE1 3.4Å; R343-E360 PolarHBondContact NH2-OE1 3.36Å; R343-M365 HydrophobicContact CB-CE 3.98Å; R343-I847 HydrophobicContact CB-CG2 3.84Å; R343-E848 HydrophobicContact CB-CG 4.24Å; R343-E848 WeakPolarHBondContact CD-OE2 3.45Å; R343-E848 WeakPolarHBondContact CG-OE1 3.41Å; R343-E848 IonicContact CZ-OE2 3.68Å; R343-E848 PolarHBondContact N-OE1 2.87Å; R343-E848 IonicContact NH1-OE1 2.65Å; R343-E848 PolarHBondContact NH1-OE1 3.23Å; R343-E848 IonicContact NH1-OE2 3.57Å; R343-E848 PolarHBondContact NH1-OE2 2.8Å
344	H	92.5	Very high	90.1	Very high	92 Å²	92	46.1 Å²	46.1	43%	0.426	21%	0.205	S	C	.	.	H	α-helix	trans	-70.7	-45.1	177.7	-55.7	-77.2	0	0	0	110	D342 R347 R348 E360	D342-H344 VanDerWaalsContact C-N 3.25Å; D342-H344 PolarHBondContact O-N 2.94Å; D342-H344 WeakPolarHBondContact OD1-CA 3.4Å; D342-H344 VanDerWaalsContact OD1-CB 3.24Å; D342-H344 WeakPolarHBondContact OD1-CB 3.41Å; D342-H344 IonicContact OD1-CD2 3.05Å; D342-H344 IonicContact OD1-CG 3.43Å; D342-H344 PolarHBondContact OD1-N 2.81Å; H344-R347 PolarHBondContact O-N 3.24Å; H344-R348 PolarHBondContact O-N 3Å; H344-E360 IonicContact CE1-OE1 2.74Å; H344-E360 PolarHBondContact CE1-OE1 3.33Å; H344-E360 IonicContact CE1-OE2 3.37Å; H344-E360 PolarHBondContact CE1-OE2 2.86Å; H344-E360 IonicContact CG-OE1 3.55Å; H344-E360 IonicContact CG-OE2 3.21Å; H344-E360 IonicContact ND1-OE1 3.52Å; H344-E360 PolarHBondContact ND1-OE1 3.47Å; H344-E360 IonicContact ND1-OE2 2.73Å; H344-E360 PolarHBondContact ND1-OE2 2.95Å; H344-E360 IonicContact NE2-OE1 2.69Å
345	Q	90	Very high	90.5	Very high	57 Å²	57	47.8 Å²	47.8	27%	0.266	23%	0.225	S	C	.	.	H	α-helix	trans	-60.2	-46.7	173.6	-66.8	170.6	-46.8	0	0	110.8	K341 D342 R348 V349	K341-Q345 VanDerWaalsContact CA-OE1 3.22Å; K341-Q345 HydrophobicContact CB-CB 4.47Å; D342-Q345 PolarHBondContact O-N 2.77Å; D342-Q345 WeakPolarHBondContact OD1-CG 3.39Å; D342-Q345 PolarHBondContact OD1-N 3.47Å; Q345-R348 WeakPolarHBondContact O-CB 3.5Å; Q345-R348 PolarHBondContact O-N 2.75Å; Q345-V349 WeakPolarHBondContact O-CG2 3.09Å; Q345-V349 PolarHBondContact O-N 3.49Å
346	I	92.6	Very high	91	Very high	1 Å²	1	46.8 Å²	46.8	1%	0.005	22%	0.218	C	C	.	.	H	α-helix	trans	-62.1	-46.1	179.3	-64.7	173.7	0	0	0	111.3	I323 K341 D342 R348 V349 L350 M365 I847	I323-I346 HydrophobicContact CD1-CG2 3.85Å; I323-I346 HydrophobicContact CG1-CG2 4.29Å; I323-I346 HydrophobicContact CG2-CB 4.48Å; I323-I346 HydrophobicContact CG2-CD1 4.44Å; I323-I346 HydrophobicContact CG2-CG1 3.95Å; I323-I346 HydrophobicContact CG2-CG2 4.05Å; K341-I346 HydrophobicContact CB-CD1 4.24Å; K341-I346 HydrophobicContact CB-CG1 4.02Å; D342-I346 WeakPolarHBondContact O-CG1 3.43Å; D342-I346 PolarHBondContact O-N 3.46Å; D342-I346 VanDerWaalsContact O-N 3.13Å; I346-R348 VanDerWaalsContact C-N 3.28Å; I346-R348 PolarHBondContact O-N 3.14Å; I346-V349 PolarHBondContact O-N 3.01Å; I346-L350 HydrophobicContact CG2-CD1 4.08Å; I346-L350 WeakPolarHBondContact O-CG 3.4Å; I346-L350 PolarHBondContact O-N 3.09Å; I346-M365 HydrophobicContact CG2-CE 4.47Å; I346-M365 HydrophobicContact CG2-SD 4.01Å; I346-I847 HydrophobicContact CD1-CG1 4.05Å; I346-I847 HydrophobicContact CD1-CG2 4.28Å; I346-I847 HydrophobicContact CG2-CD1 4.34Å
347	R	94.8	Very high	91.4	Very high	82 Å²	82	53.6 Å²	53.6	31%	0.309	25%	0.249	S	C	.	.	H	α-helix	trans	-58.8	-40.8	175.6	-175.4	174.9	-176.5	-141.7	-1.1	111.9	R343 H344 L350 H351 Y356 E357 G358 E360 M365	R343-R347 WeakPolarHBondContact O-CB 3.42Å; R343-R347 PolarHBondContact O-N 3.01Å; H344-R347 PolarHBondContact O-N 3.24Å; R347-L350 PolarHBondContact O-N 2.92Å; R347-H351 WeakPolarHBondContact O-CB 3.28Å; R347-H351 PolarHBondContact O-N 2.92Å; R347-Y356 HydrophobicContact CG-CD1 4.1Å; R347-Y356 HydrophobicContact CG-CE1 4.2Å; R347-E357 PolarHBondContact NH2-O 3.33Å; R347-G358 PolarHBondContact NE-O 2.81Å; R347-G358 PolarHBondContact NH2-O 2.83Å; R347-E360 HydrophobicContact CB-CG 4.21Å; R347-M365 HydrophobicContact CB-SD 3.75Å; R347-M365 HydrophobicContact CG-SD 4.43Å
348	R	94.6	Very high	91.8	Very high	126 Å²	126	54.7 Å²	54.7	48%	0.475	26%	0.26	S	S	.	.	H	α-helix	trans	-61.5	-46.7	177.6	-171.3	-173.7	70.2	-146.1	-5.2	111.5	H344 Q345 I346 L350 H351 E352	H344-R348 PolarHBondContact O-N 3Å; Q345-R348 WeakPolarHBondContact O-CB 3.5Å; Q345-R348 PolarHBondContact O-N 2.75Å; I346-R348 VanDerWaalsContact C-N 3.28Å; I346-R348 PolarHBondContact O-N 3.14Å; R348-L350 VanDerWaalsContact C-N 3.34Å; R348-L350 PolarHBondContact O-N 2.89Å; R348-H351 WeakPolarHBondContact O-CB 3.26Å; R348-H351 PolarHBondContact O-N 3.04Å; R348-E352 VanDerWaalsContact CD-OE1 3.26Å; R348-E352 WeakPolarHBondContact CD-OE1 3.4Å; R348-E352 VanDerWaalsContact CG-CD 3.48Å; R348-E352 HydrophobicContact CG-CG 4.2Å; R348-E352 WeakPolarHBondContact CG-OE1 3.33Å; R348-E352 IonicContact NE-OE1 3.16Å; R348-E352 IonicContact NE-OE2 3.93Å; R348-E352 WeakPolarHBondContact O-CB 3.32Å; R348-E352 WeakPolarHBondContact O-CG 3.3Å; R348-E352 PolarHBondContact O-N 3.02Å
349	V	93.8	Very high	92.1	Very high	1 Å²	1	58.4 Å²	58.4	1%	0.006	28%	0.284	C	S	.	.	H	α-helix	trans	-58.9	-45.4	176.2	175.3	0	0	0	0	111.1	L326 D327 Q345 I346 H351 E352 R353	L326-V349 HydrophobicContact CB-CG1 3.73Å; D327-V349 HydrophobicContact CB-CG1 4.07Å; D327-V349 HydrophobicContact CB-CG2 3.92Å; D327-V349 VanDerWaalsContact CG-CG2 3.4Å; D327-V349 WeakPolarHBondContact OD1-CG2 3.17Å; Q345-V349 WeakPolarHBondContact O-CG2 3.09Å; Q345-V349 PolarHBondContact O-N 3.49Å; I346-V349 PolarHBondContact O-N 3.01Å; V349-H351 VanDerWaalsContact C-N 3.31Å; V349-H351 PolarHBondContact O-N 2.74Å; V349-E352 PolarHBondContact O-N 3.25Å; V349-R353 HydrophobicContact CG1-CG 4.14Å; V349-R353 VanDerWaalsContact O-CB 3.22Å; V349-R353 WeakPolarHBondContact O-CB 3.46Å; V349-R353 VanDerWaalsContact O-CG 3.28Å; V349-R353 WeakPolarHBondContact O-CG 3.44Å; V349-R353 PolarHBondContact O-N 2.88Å
350	L	95.3	Very high	92.4	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-65.7	-33.4	178.1	-62.8	172	0	0	0	112.6	L326 I346 R347 R348 L354 G355 Y356 M365 I369	L326-L350 HydrophobicContact CD1-CD2 3.95Å; I346-L350 HydrophobicContact CG2-CD1 4.08Å; I346-L350 WeakPolarHBondContact O-CG 3.4Å; I346-L350 PolarHBondContact O-N 3.09Å; R347-L350 PolarHBondContact O-N 2.92Å; R348-L350 VanDerWaalsContact C-N 3.34Å; R348-L350 PolarHBondContact O-N 2.89Å; L350-L354 HydrophobicContact CD2-CD1 4.11Å; L350-L354 CarbonylContact O-C 3.48Å; L350-L354 WeakPolarHBondContact O-CA 3.27Å; L350-L354 WeakPolarHBondContact O-CB 3.02Å; L350-L354 PolarHBondContact O-N 2.85Å; L350-G355 PolarHBondContact O-N 2.81Å; L350-Y356 HydrophobicContact CB-CD1 4.26Å; L350-Y356 HydrophobicContact CB-CG 4.17Å; L350-Y356 WeakPolarHBondContact O-CB 3.2Å; L350-Y356 PolarHBondContact O-N 2.83Å; L350-Y356 VanDerWaalsContact O-N 3.09Å; L350-M365 HydrophobicContact CD1-CB 3.79Å; L350-M365 HydrophobicContact CD1-CG 3.84Å; L350-M365 HydrophobicContact CD1-SD 3.9Å; L350-I369 HydrophobicContact CD1-CD1 3.93Å; L350-I369 HydrophobicContact CD1-CG1 4.36Å; L350-I369 HydrophobicContact CD2-CD1 3.82Å; L350-I369 HydrophobicContact CD2-CG1 3.82Å
351	H	95.7	Very high	92.9	Very high	96 Å²	96	62.1 Å²	62.1	44%	0.444	31%	0.305	S	S	.	.	H	α-helix	trans	-67.6	-55.2	173.3	-173.9	70.4	0	0	0	111.2	R347 R348 V349 R353 G355 Y356	R347-H351 WeakPolarHBondContact O-CB 3.28Å; R347-H351 PolarHBondContact O-N 2.92Å; R348-H351 WeakPolarHBondContact O-CB 3.26Å; R348-H351 PolarHBondContact O-N 3.04Å; V349-H351 VanDerWaalsContact C-N 3.31Å; V349-H351 PolarHBondContact O-N 2.74Å; H351-R353 VanDerWaalsContact C-N 3.33Å; H351-R353 PolarHBondContact O-N 2.84Å; H351-G355 WeakPolarHBondContact O-CA 3.31Å; H351-G355 PolarHBondContact O-N 3.28Å; H351-Y356 WeakPolarHBondContact CA-O 3.24Å; H351-Y356 WeakPolarHBondContact CB-O 3.45Å; H351-Y356 PolarHBondContact ND1-O 2.87Å
352	E	95.6	Very high	93.1	Very high	124 Å²	124	61.8 Å²	61.8	58%	0.579	30%	0.304	S	S	*	.	H	α-helix	trans	-67.1	-28	-175.3	-70.3	171.1	176.9	0	0	113.7	R348 V349	R348-E352 VanDerWaalsContact CD-OE1 3.26Å; R348-E352 WeakPolarHBondContact CD-OE1 3.4Å; R348-E352 VanDerWaalsContact CG-CD 3.48Å; R348-E352 HydrophobicContact CG-CG 4.2Å; R348-E352 WeakPolarHBondContact CG-OE1 3.33Å; R348-E352 IonicContact NE-OE1 3.16Å; R348-E352 IonicContact NE-OE2 3.93Å; R348-E352 WeakPolarHBondContact O-CB 3.32Å; R348-E352 WeakPolarHBondContact O-CG 3.3Å; R348-E352 PolarHBondContact O-N 3.02Å; V349-E352 PolarHBondContact O-N 3.25Å
353	R	94.6	Very high	93.3	Very high	126 Å²	126	64.1 Å²	64.1	48%	0.475	31%	0.314	S	S	.	.	H	α-helix	trans	-102.8	-32.6	-177.6	-59.7	-61.1	-144.3	-165.4	3.3	114.9	L326 V349 H351	L326-R353 HydrophobicContact CB-CG 4.29Å; L326-R353 HydrophobicContact CD2-CB 4.23Å; L326-R353 VanDerWaalsContact O-CZ 3.28Å; L326-R353 PolarHBondContact O-NE 3Å; L326-R353 PolarHBondContact O-NH2 2.83Å; V349-R353 HydrophobicContact CG1-CG 4.14Å; V349-R353 VanDerWaalsContact O-CB 3.22Å; V349-R353 WeakPolarHBondContact O-CB 3.46Å; V349-R353 VanDerWaalsContact O-CG 3.28Å; V349-R353 WeakPolarHBondContact O-CG 3.44Å; V349-R353 PolarHBondContact O-N 2.88Å; H351-R353 VanDerWaalsContact C-N 3.33Å; H351-R353 PolarHBondContact O-N 2.84Å
354	L	93.7	Very high	93.3	Very high	55 Å²	55	61.8 Å²	61.8	29%	0.288	31%	0.311	S	S	.	.	H	α-helix	trans	-127.8	1.7	-170.9	-61.9	178.6	0	0	0	114.1	Y322 L326 L350 F368	Y322-L354 HydrophobicContact CE1-CD1 4.17Å; L326-L354 HydrophobicContact CD1-CD1 3.72Å; L326-L354 HydrophobicContact CD1-CG 4.24Å; L326-L354 HydrophobicContact CD2-CD1 4.48Å; L326-L354 HydrophobicContact CD2-CD2 4.39Å; L326-L354 HydrophobicContact CD2-CG 4.38Å; L350-L354 HydrophobicContact CD2-CD1 4.11Å; L350-L354 CarbonylContact O-C 3.48Å; L350-L354 WeakPolarHBondContact O-CA 3.27Å; L350-L354 WeakPolarHBondContact O-CB 3.02Å; L350-L354 PolarHBondContact O-N 2.85Å; L354-F368 HydrophobicContact CB-CE1 3.77Å; L354-F368 HydrophobicContact CB-CZ 3.92Å; L354-F368 HydrophobicContact CD1-CE1 3.98Å
355	G	94.1	Very high	93.4	Very high	52 Å²	52	57.4 Å²	57.4	54%	0.536	29%	0.29	S	S	.	.			trans	72.3	25	179.8	0	0	0	0	0	114.3	L350 H351 E357	L350-G355 PolarHBondContact O-N 2.81Å; H351-G355 WeakPolarHBondContact O-CA 3.31Å; H351-G355 PolarHBondContact O-N 3.28Å; G355-E357 PolarHBondContact O-N 3Å
356	Y	95.2	Very high	93.5	Very high	12 Å²	12	54.8 Å²	54.8	5%	0.047	28%	0.278	C	S	.	.			trans	-68.9	115.4	177.8	-176	-106.8	0	0	0	112.2	R347 L350 H351 G358 P359 A364 M365 F368	R347-Y356 HydrophobicContact CG-CD1 4.1Å; R347-Y356 HydrophobicContact CG-CE1 4.2Å; L350-Y356 HydrophobicContact CB-CD1 4.26Å; L350-Y356 HydrophobicContact CB-CG 4.17Å; L350-Y356 WeakPolarHBondContact O-CB 3.2Å; L350-Y356 PolarHBondContact O-N 2.83Å; L350-Y356 VanDerWaalsContact O-N 3.09Å; H351-Y356 WeakPolarHBondContact CA-O 3.24Å; H351-Y356 WeakPolarHBondContact CB-O 3.45Å; H351-Y356 PolarHBondContact ND1-O 2.87Å; Y356-G358 VanDerWaalsContact CE1-O 3.26Å; Y356-G358 WeakPolarHBondContact CE1-O 2.96Å; Y356-G358 VanDerWaalsContact CZ-CA 3.48Å; Y356-P359 PolarHBondContact OH-O 3.07Å; Y356-A364 VanDerWaalsContact OH-C 3.25Å; Y356-A364 VanDerWaalsContact OH-CB 3.24Å; Y356-A364 WeakPolarHBondContact OH-CB 3.5Å; Y356-A364 PolarHBondContact OH-O 3.12Å; Y356-M365 HydrophobicContact CD1-CG 4.42Å; Y356-M365 HydrophobicContact CE1-CG 3.66Å; Y356-M365 PolarHBondContact OH-N 2.93Å; Y356-F368 HydrophobicContact CD2-CB 3.8Å; Y356-F368 AromaticContact CD2-CD1 3.54Å; Y356-F368 HydrophobicContact CD2-CD1 3.54Å; Y356-F368 AromaticContact CD2-CD2 3.73Å; Y356-F368 HydrophobicContact CD2-CD2 3.73Å; Y356-F368 AromaticContact CD2-CE1 3.96Å; Y356-F368 HydrophobicContact CD2-CE1 3.96Å; Y356-F368 HydrophobicContact CD2-CE2 4.12Å; Y356-F368 AromaticContact CD2-CG 3.4Å; Y356-F368 HydrophobicContact CD2-CG 3.4Å; Y356-F368 HydrophobicContact CD2-CZ 4.22Å; Y356-F368 HydrophobicContact CE2-CB 3.65Å; Y356-F368 HydrophobicContact CE2-CD1 4.24Å; Y356-F368 HydrophobicContact CE2-CD2 4.25Å; Y356-F368 AromaticContact CE2-CG 3.81Å; Y356-F368 HydrophobicContact CE2-CG 3.81Å; Y356-F368 HydrophobicContact CG-CD1 4.13Å; Y356-F368 HydrophobicContact CG-CE1 4.28Å; Y356-F368 HydrophobicContact CG-CG 4.41Å
357	E	94.5	Very high	93.3	Very high	156 Å²	156	58.7 Å²	58.7	73%	0.729	30%	0.298	S	S	*	.			trans	-103.1	-10.7	174.2	-59.7	-167	141.9	0	0	113.4	R347 G355	R347-E357 PolarHBondContact NH2-O 3.33Å; G355-E357 PolarHBondContact O-N 3Å
358	G	93.3	Very high	93.1	Very high	23 Å²	23	56.5 Å²	56.5	24%	0.237	29%	0.291	C	S	.	.	S	Bend	trans	-64.7	178	-171.1	0	0	0	0	0	115.7	R347 Y356	R347-G358 PolarHBondContact NE-O 2.81Å; R347-G358 PolarHBondContact NH2-O 2.83Å; Y356-G358 VanDerWaalsContact CE1-O 3.26Å; Y356-G358 WeakPolarHBondContact CE1-O 2.96Å; Y356-G358 VanDerWaalsContact CZ-CA 3.48Å
359	P	93.7	Very high	93	Very high	79 Å²	79	50.5 Å²	50.5	51%	0.513	27%	0.269	S	S	.	.			trans	-55.8	149	-175.6	-26.7	35.4	0	0	0	114.7	Y356 T361 A364	Y356-P359 PolarHBondContact OH-O 3.07Å; P359-T361 HydrophobicContact CB-CG2 4.13Å; P359-T361 PolarHBondContact O-N 3.02Å; P359-A364 HydrophobicContact CB-CB 4.13Å; P359-A364 HydrophobicContact CG-CB 4.33Å
360	E	90.6	Very high	92.8	Very high	53 Å²	53	51.5 Å²	51.5	25%	0.248	27%	0.272	C	S	.	.	S	Bend	trans	-81.1	55.4	173.4	-164.1	-163.2	91.2	0	0	111.9	R343 H344 R347	R343-E360 HydrophobicContact CG-CG 4.07Å; R343-E360 IonicContact CZ-OE1 3.28Å; R343-E360 IonicContact NE-OE1 2.71Å; R343-E360 PolarHBondContact NE-OE1 3.26Å; R343-E360 IonicContact NH2-OE1 3.4Å; R343-E360 PolarHBondContact NH2-OE1 3.36Å; H344-E360 IonicContact CE1-OE1 2.74Å; H344-E360 PolarHBondContact CE1-OE1 3.33Å; H344-E360 IonicContact CE1-OE2 3.37Å; H344-E360 PolarHBondContact CE1-OE2 2.86Å; H344-E360 IonicContact CG-OE1 3.55Å; H344-E360 IonicContact CG-OE2 3.21Å; H344-E360 IonicContact ND1-OE1 3.52Å; H344-E360 PolarHBondContact ND1-OE1 3.47Å; H344-E360 IonicContact ND1-OE2 2.73Å; H344-E360 PolarHBondContact ND1-OE2 2.95Å; H344-E360 IonicContact NE2-OE1 2.69Å; R347-E360 HydrophobicContact CB-CG 4.21Å
361	T	92.3	Very high	92.4	Very high	53 Å²	53	57.5 Å²	57.5	33%	0.325	30%	0.3	S	S	.	.	S	Bend	trans	-119	145.1	173.2	89.8	0	0	0	0	110.5	P359 E363 A364 M365	P359-T361 HydrophobicContact CB-CG2 4.13Å; P359-T361 PolarHBondContact O-N 3.02Å; T361-E363 WeakPolarHBondContact CB-OE2 3.45Å; T361-E363 PolarHBondContact O-N 2.98Å; T361-E363 PolarHBondContact OG1-OE2 2.97Å; T361-A364 PolarHBondContact O-N 3.17Å; T361-A364 PolarHBondContact OG1-N 2.76Å; T361-M365 WeakPolarHBondContact O-CE 3.37Å; T361-M365 PolarHBondContact O-N 3.29Å; T361-M365 VanDerWaalsContact O-N 3.13Å
362	P	90.1	Very high	92.1	Very high	7 Å²	7	56.5 Å²	56.5	5%	0.045	30%	0.295	C	S	.	.	H	α-helix	trans	-51	-39.9	176	-29	36.8	0	0	0	112.9	T366 I847 I850 V852	P362-T366 VanDerWaalsContact O-CB 3.23Å; P362-T366 WeakPolarHBondContact O-CB 3.45Å; P362-T366 PolarHBondContact O-N 2.87Å; P362-T366 PolarHBondContact O-OG1 3.23Å; P362-I847 HydrophobicContact CB-CB 4.07Å; P362-I847 HydrophobicContact CB-CD1 4.47Å; P362-I847 HydrophobicContact CB-CG2 4.06Å; P362-I847 HydrophobicContact CG-CB 4.32Å; P362-I847 HydrophobicContact CG-CG2 3.86Å; P362-I850 HydrophobicContact CB-CB 4.46Å; P362-I850 HydrophobicContact CB-CG2 4.34Å; P362-I850 HydrophobicContact CG-CB 4.02Å; P362-I850 HydrophobicContact CG-CD1 3.8Å; P362-I850 HydrophobicContact CG-CG1 4.48Å; P362-I850 HydrophobicContact CG-CG2 4.05Å; P362-V852 HydrophobicContact CB-CG2 3.46Å; P362-V852 VanDerWaalsContact CB-CG2 3.46Å
363	E	91	Very high	91.9	Very high	79 Å²	79	50.6 Å²	50.6	37%	0.369	27%	0.267	S	S	.	.	H	α-helix	trans	-65.4	-49.6	-177.8	-53.4	72.2	-157.3	0	0	111.3	T361 M365 T366 L367 V852	T361-E363 WeakPolarHBondContact CB-OE2 3.45Å; T361-E363 PolarHBondContact O-N 2.98Å; T361-E363 PolarHBondContact OG1-OE2 2.97Å; E363-M365 PolarHBondContact O-N 3.16Å; E363-T366 PolarHBondContact O-N 3.11Å; E363-L367 WeakPolarHBondContact O-CB 3.45Å; E363-L367 VanDerWaalsContact O-CG 3.31Å; E363-L367 WeakPolarHBondContact O-CG 3.34Å; E363-L367 PolarHBondContact O-N 3.05Å; E363-V852 HydrophobicContact CB-CG1 4.37Å; E363-V852 HydrophobicContact CG-CG1 4.31Å; E363-V852 HydrophobicContact CG-CG2 4.2Å
364	A	92.2	Very high	91.6	Very high	24 Å²	24	46.6 Å²	46.6	20%	0.198	25%	0.252	C	S	.	.	H	α-helix	trans	-67.7	-37.2	-177.3	0	0	0	0	0	112.2	Y356 P359 T361 F368	Y356-A364 VanDerWaalsContact OH-C 3.25Å; Y356-A364 VanDerWaalsContact OH-CB 3.24Å; Y356-A364 WeakPolarHBondContact OH-CB 3.5Å; Y356-A364 PolarHBondContact OH-O 3.12Å; P359-A364 HydrophobicContact CB-CB 4.13Å; P359-A364 HydrophobicContact CG-CB 4.33Å; T361-A364 PolarHBondContact O-N 3.17Å; T361-A364 PolarHBondContact OG1-N 2.76Å; A364-F368 PolarHBondContact O-N 3.05Å
365	M	93.9	Very high	91.4	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-69.6	-42.6	174.6	-68.6	-173.1	-70.9	0	0	111.8	R343 I346 R347 L350 Y356 T361 E363 L367 F368 I369 I847	R343-M365 HydrophobicContact CB-CE 3.98Å; I346-M365 HydrophobicContact CG2-CE 4.47Å; I346-M365 HydrophobicContact CG2-SD 4.01Å; R347-M365 HydrophobicContact CB-SD 3.75Å; R347-M365 HydrophobicContact CG-SD 4.43Å; L350-M365 HydrophobicContact CD1-CB 3.79Å; L350-M365 HydrophobicContact CD1-CG 3.84Å; L350-M365 HydrophobicContact CD1-SD 3.9Å; Y356-M365 HydrophobicContact CD1-CG 4.42Å; Y356-M365 HydrophobicContact CE1-CG 3.66Å; Y356-M365 PolarHBondContact OH-N 2.93Å; T361-M365 WeakPolarHBondContact O-CE 3.37Å; T361-M365 PolarHBondContact O-N 3.29Å; T361-M365 VanDerWaalsContact O-N 3.13Å; E363-M365 PolarHBondContact O-N 3.16Å; M365-L367 PolarHBondContact O-N 3.43Å; M365-F368 PolarHBondContact O-N 2.84Å; M365-I369 WeakPolarHBondContact O-CG1 3.25Å; M365-I369 PolarHBondContact O-N 2.9Å; M365-I847 HydrophobicContact CB-CD1 4.3Å; M365-I847 HydrophobicContact CE-CD1 4.08Å; M365-I847 HydrophobicContact CE-CG2 4.24Å
366	T	91.4	Very high	91.3	Very high	1 Å²	1	47.8 Å²	47.8	1%	0.006	24%	0.243	C	C	.	.	H	α-helix	trans	-62.6	-42.8	177.4	-58.7	0	0	0	0	111.8	L319 P362 E363 F368 I369 R370 T844 V852 V855	L319-T366 HydrophobicContact CD2-CG2 4.04Å; P362-T366 VanDerWaalsContact O-CB 3.23Å; P362-T366 WeakPolarHBondContact O-CB 3.45Å; P362-T366 PolarHBondContact O-N 2.87Å; P362-T366 PolarHBondContact O-OG1 3.23Å; E363-T366 PolarHBondContact O-N 3.11Å; T366-F368 VanDerWaalsContact C-N 3.35Å; T366-F368 PolarHBondContact O-N 2.9Å; T366-I369 PolarHBondContact O-N 3.46Å; T366-R370 WeakPolarHBondContact O-CB 3.31Å; T366-R370 PolarHBondContact O-N 3.38Å; T366-T844 HydrophobicContact CG2-CG2 4.38Å; T366-V852 HydrophobicContact CG2-CG1 3.89Å; T366-V855 HydrophobicContact CG2-CB 4.35Å; T366-V855 HydrophobicContact CG2-CG1 4.03Å; T366-V855 HydrophobicContact CG2-CG2 4.16Å
367	L	88.5	Confident	91.2	Very high	83 Å²	83	47.2 Å²	47.2	44%	0.435	24%	0.241	S	C	.	.	H	α-helix	trans	-66.3	-34.7	178.2	-72.7	170.2	0	0	0	112.7	E363 M365 R370 Q371	E363-L367 WeakPolarHBondContact O-CB 3.45Å; E363-L367 VanDerWaalsContact O-CG 3.31Å; E363-L367 WeakPolarHBondContact O-CG 3.34Å; E363-L367 PolarHBondContact O-N 3.05Å; M365-L367 PolarHBondContact O-N 3.43Å; L367-R370 WeakPolarHBondContact O-CB 3.2Å; L367-Q371 WeakPolarHBondContact O-CG 3.21Å; L367-Q371 PolarHBondContact O-N 3.45Å
368	F	91.8	Very high	91	Very high	37 Å²	37	43.1 Å²	43.1	16%	0.162	22%	0.223	C	C	.	.	H	α-helix	trans	-67.1	-44.9	172.4	174.8	-102.6	0	0	0	112	L354 Y356 A364 M365 T366 R370 Q371 K372	L354-F368 HydrophobicContact CB-CE1 3.77Å; L354-F368 HydrophobicContact CB-CZ 3.92Å; L354-F368 HydrophobicContact CD1-CE1 3.98Å; Y356-F368 HydrophobicContact CD2-CB 3.8Å; Y356-F368 AromaticContact CD2-CD1 3.54Å; Y356-F368 HydrophobicContact CD2-CD1 3.54Å; Y356-F368 AromaticContact CD2-CD2 3.73Å; Y356-F368 HydrophobicContact CD2-CD2 3.73Å; Y356-F368 AromaticContact CD2-CE1 3.96Å; Y356-F368 HydrophobicContact CD2-CE1 3.96Å; Y356-F368 HydrophobicContact CD2-CE2 4.12Å; Y356-F368 AromaticContact CD2-CG 3.4Å; Y356-F368 HydrophobicContact CD2-CG 3.4Å; Y356-F368 HydrophobicContact CD2-CZ 4.22Å; Y356-F368 HydrophobicContact CE2-CB 3.65Å; Y356-F368 HydrophobicContact CE2-CD1 4.24Å; Y356-F368 HydrophobicContact CE2-CD2 4.25Å; Y356-F368 AromaticContact CE2-CG 3.81Å; Y356-F368 HydrophobicContact CE2-CG 3.81Å; Y356-F368 HydrophobicContact CG-CD1 4.13Å; Y356-F368 HydrophobicContact CG-CE1 4.28Å; Y356-F368 HydrophobicContact CG-CG 4.41Å; A364-F368 PolarHBondContact O-N 3.05Å; M365-F368 PolarHBondContact O-N 2.84Å; T366-F368 VanDerWaalsContact C-N 3.35Å; T366-F368 PolarHBondContact O-N 2.9Å; F368-R370 PolarHBondContact O-N 3.03Å; F368-Q371 PolarHBondContact O-N 2.86Å; F368-K372 PolarHBondContact O-N 3.33Å
369	I	91.5	Very high	91	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-64.4	-39.8	177.1	-65.5	162	0	0	0	111.1	L319 Y322 I323 L350 M365 T366 Q371 K372 I373	L319-I369 HydrophobicContact CD1-CB 3.95Å; L319-I369 HydrophobicContact CD1-CD1 3.55Å; L319-I369 HydrophobicContact CD1-CG1 4.36Å; L319-I369 HydrophobicContact CD1-CG2 3.64Å; Y322-I369 HydrophobicContact CD1-CG2 3.62Å; Y322-I369 HydrophobicContact CE1-CG1 4.45Å; Y322-I369 HydrophobicContact CE1-CG2 3.78Å; I323-I369 HydrophobicContact CD1-CD1 3.99Å; I323-I369 HydrophobicContact CG1-CD1 3.9Å; L350-I369 HydrophobicContact CD1-CD1 3.93Å; L350-I369 HydrophobicContact CD1-CG1 4.36Å; L350-I369 HydrophobicContact CD2-CD1 3.82Å; L350-I369 HydrophobicContact CD2-CG1 3.82Å; M365-I369 WeakPolarHBondContact O-CG1 3.25Å; M365-I369 PolarHBondContact O-N 2.9Å; T366-I369 PolarHBondContact O-N 3.46Å; I369-Q371 VanDerWaalsContact C-N 3.28Å; I369-Q371 PolarHBondContact O-N 3.5Å; I369-K372 PolarHBondContact O-N 3.2Å; I369-K372 VanDerWaalsContact O-N 3.14Å; I369-I373 HydrophobicContact CG2-CD1 3.45Å; I369-I373 VanDerWaalsContact CG2-CD1 3.45Å; I369-I373 HydrophobicContact CG2-CG1 3.91Å; I369-I373 WeakPolarHBondContact O-CG1 3.34Å; I369-I373 PolarHBondContact O-N 3.29Å
370	R	89.6	Confident	91.1	Very high	22 Å²	22	41.4 Å²	41.4	8%	0.083	21%	0.21	C	C	.	.	H	α-helix	trans	-51.7	-45.8	172.7	170.7	-178.1	-173.5	99	-9.4	112.2	T366 L367 F368 R374 G854 V855 H856 G857	T366-R370 WeakPolarHBondContact O-CB 3.31Å; T366-R370 PolarHBondContact O-N 3.38Å; L367-R370 WeakPolarHBondContact O-CB 3.2Å; F368-R370 PolarHBondContact O-N 3.03Å; R370-R374 VanDerWaalsContact NH2-NH2 3.11Å; R370-R374 WeakPolarHBondContact O-CB 3.43Å; R370-R374 WeakPolarHBondContact O-CG 3.49Å; R370-R374 PolarHBondContact O-N 3.15Å; R370-R374 VanDerWaalsContact O-N 3.16Å; R370-G854 WeakPolarHBondContact CD-O 3.42Å; R370-G854 VanDerWaalsContact NH1-C 3.26Å; R370-G854 PolarHBondContact NH1-O 2.87Å; R370-V855 VanDerWaalsContact CB-O 3.25Å; R370-V855 WeakPolarHBondContact CB-O 3.23Å; R370-V855 VanDerWaalsContact CD-O 3.31Å; R370-V855 WeakPolarHBondContact CD-O 3.3Å; R370-V855 WeakPolarHBondContact CG-O 3.43Å; R370-V855 PolarHBondContact NH1-O 2.96Å; R370-H856 VanDerWaalsContact NH1-C 3.29Å; R370-H856 PolarHBondContact NH1-O 3.22Å; R370-H856 VanDerWaalsContact NH1-O 3.12Å; R370-G857 PolarHBondContact NH1-O 3.33Å; R370-G857 PolarHBondContact NH2-O 3.18Å; R370-G857 VanDerWaalsContact NH2-O 3.09Å
371	Q	87.7	Confident	91.4	Very high	126 Å²	126	41.6 Å²	41.6	59%	0.589	21%	0.211	S	C	*	.	H	α-helix	trans	-61.7	-45	-179.6	-72.1	172.3	-10.5	0	0	110.7	L367 F368 I369	L367-Q371 WeakPolarHBondContact O-CG 3.21Å; L367-Q371 PolarHBondContact O-N 3.45Å; F368-Q371 PolarHBondContact O-N 2.86Å; I369-Q371 VanDerWaalsContact C-N 3.28Å; I369-Q371 PolarHBondContact O-N 3.5Å
372	K	89.6	Confident	91.7	Very high	75 Å²	75	39 Å²	39	33%	0.326	20%	0.195	S	C	.	.	H	α-helix	trans	-67.4	-52.7	179.4	-65.6	-51.1	-174.8	-173	0	113.9	F368 I369 R374 E375	F368-K372 PolarHBondContact O-N 3.33Å; I369-K372 PolarHBondContact O-N 3.2Å; I369-K372 VanDerWaalsContact O-N 3.14Å; K372-R374 PolarHBondContact O-N 3Å; K372-E375 IonicContact NZ-OE1 2.86Å; K372-E375 WeakPolarHBondContact O-CB 3.23Å; K372-E375 PolarHBondContact O-N 3.43Å; K372-E375 VanDerWaalsContact O-N 3.15Å
373	I	90.7	Very high	92.1	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-68.2	-24.5	-175.8	-52.3	179.9	0	0	0	111.5	T317 Y322 I369 E375 D376 F377 H856	T317-I373 HydrophobicContact CG2-CG2 3.94Å; Y322-I373 HydrophobicContact CD1-CD1 3.73Å; Y322-I373 HydrophobicContact CD1-CG1 4.29Å; Y322-I373 HydrophobicContact CD2-CD1 3.76Å; Y322-I373 HydrophobicContact CD2-CG1 4.1Å; Y322-I373 HydrophobicContact CE1-CD1 4.08Å; Y322-I373 HydrophobicContact CE1-CG1 4.12Å; Y322-I373 HydrophobicContact CE2-CD1 4.1Å; Y322-I373 HydrophobicContact CE2-CG1 3.93Å; Y322-I373 HydrophobicContact CG-CD1 3.53Å; Y322-I373 HydrophobicContact CG-CG1 4.25Å; I369-I373 HydrophobicContact CG2-CD1 3.45Å; I369-I373 VanDerWaalsContact CG2-CD1 3.45Å; I369-I373 HydrophobicContact CG2-CG1 3.91Å; I369-I373 WeakPolarHBondContact O-CG1 3.34Å; I369-I373 PolarHBondContact O-N 3.29Å; I373-E375 PolarHBondContact O-N 2.9Å; I373-D376 PolarHBondContact O-N 2.77Å; I373-F377 HydrophobicContact CB-CE2 4.42Å; I373-F377 HydrophobicContact CG2-CD2 3.82Å; I373-F377 HydrophobicContact CG2-CE2 3.49Å; I373-F377 VanDerWaalsContact CG2-CE2 3.49Å; I373-F377 HydrophobicContact CG2-CZ 4.09Å; I373-F377 WeakPolarHBondContact O-CD2 3.24Å; I373-F377 PolarHBondContact O-N 2.98Å; I373-H856 WeakPolarHBondContact CB-NE2 3.41Å; I373-H856 WeakPolarHBondContact CD1-NE2 3.4Å; I373-H856 WeakPolarHBondContact CG1-NE2 3.29Å; I373-H856 WeakPolarHBondContact CG2-NE2 3.41Å
374	R	88.2	Confident	92.5	Very high	41 Å²	41	35 Å²	35	16%	0.155	18%	0.176	C	C	.	.	H	α-helix	trans	-60	-41.9	172.3	-86.6	-173.4	169.9	-137.9	-7.9	112.8	R370 K372 D376 F377 L378 L797 H856	R370-R374 VanDerWaalsContact NH2-NH2 3.11Å; R370-R374 WeakPolarHBondContact O-CB 3.43Å; R370-R374 WeakPolarHBondContact O-CG 3.49Å; R370-R374 PolarHBondContact O-N 3.15Å; R370-R374 VanDerWaalsContact O-N 3.16Å; K372-R374 PolarHBondContact O-N 3Å; R374-D376 VanDerWaalsContact C-N 3.28Å; R374-D376 PolarHBondContact O-N 2.79Å; R374-F377 PolarHBondContact O-N 3.22Å; R374-L378 WeakPolarHBondContact O-CD1 3.33Å; R374-L378 WeakPolarHBondContact O-CG 3.35Å; R374-L378 PolarHBondContact O-N 3.13Å; R374-L797 VanDerWaalsContact CZ-O 3.28Å; R374-L797 PolarHBondContact NH1-O 2.76Å; R374-L797 PolarHBondContact NH2-O 2.77Å; R374-H856 PolarHBondContact NH2-O 3.34Å
375	E	89.1	Confident	92.8	Very high	114 Å²	114	33.9 Å²	33.9	53%	0.533	17%	0.167	S	C	.	.	H	α-helix	trans	-60.4	-39	174.4	-60.9	171.2	-146.5	0	0	111.1	K372 I373 S379	K372-E375 IonicContact NZ-OE1 2.86Å; K372-E375 WeakPolarHBondContact O-CB 3.23Å; K372-E375 PolarHBondContact O-N 3.43Å; K372-E375 VanDerWaalsContact O-N 3.15Å; I373-E375 PolarHBondContact O-N 2.9Å; E375-S379 WeakPolarHBondContact O-CB 3.38Å; E375-S379 PolarHBondContact O-N 2.62Å; E375-S379 PolarHBondContact O-OG 3.42Å
376	D	93.4	Very high	92.9	Very high	18 Å²	18	34.3 Å²	34.3	10%	0.096	17%	0.171	C	C	.	.	H	α-helix	trans	-68.3	-43.6	177.7	-70.4	-44.5	0	0	0	113.1	K289 V291 I315 I373 R374 L378 S379 A380	K289-D376 HydrophobicContact CD-CB 4.1Å; K289-D376 WeakPolarHBondContact CD-OD1 3.45Å; K289-D376 WeakPolarHBondContact CE-OD1 3.13Å; K289-D376 IonicContact NZ-OD1 3.79Å; K289-D376 PolarHBondContact NZ-OD1 2.99Å; V291-D376 HydrophobicContact CG1-CB 4.23Å; I315-D376 HydrophobicContact CG1-CB 4.38Å; I315-D376 HydrophobicContact CG2-CB 4.28Å; I373-D376 PolarHBondContact O-N 2.77Å; R374-D376 VanDerWaalsContact C-N 3.28Å; R374-D376 PolarHBondContact O-N 2.79Å; D376-L378 VanDerWaalsContact C-N 3.3Å; D376-L378 PolarHBondContact O-N 3.4Å; D376-S379 PolarHBondContact O-N 3.16Å; D376-S379 PolarHBondContact O-OG 2.92Å; D376-A380 WeakPolarHBondContact O-CB 3.36Å; D376-A380 PolarHBondContact O-N 3.26Å
377	F	91.6	Very high	93.1	Very high	1 Å²	1	35 Å²	35	0%	0.004	18%	0.175	C	C	.	.	H	α-helix	trans	-60.2	-36.6	177.1	-77.9	-63	0	0	0	113.9	V291 T317 I373 R374 N405 M408 L412 H856	V291-F377 HydrophobicContact CB-CD1 4.18Å; V291-F377 HydrophobicContact CB-CE1 4.44Å; V291-F377 HydrophobicContact CG1-CD1 4.1Å; V291-F377 HydrophobicContact CG2-CD1 4.08Å; T317-F377 VanDerWaalsContact CB-CZ 3.46Å; T317-F377 HydrophobicContact CG2-CD1 4.33Å; T317-F377 HydrophobicContact CG2-CE1 3.6Å; T317-F377 HydrophobicContact CG2-CE2 4.47Å; T317-F377 HydrophobicContact CG2-CZ 3.7Å; I373-F377 HydrophobicContact CB-CE2 4.42Å; I373-F377 HydrophobicContact CG2-CD2 3.82Å; I373-F377 HydrophobicContact CG2-CE2 3.49Å; I373-F377 VanDerWaalsContact CG2-CE2 3.49Å; I373-F377 HydrophobicContact CG2-CZ 4.09Å; I373-F377 WeakPolarHBondContact O-CD2 3.24Å; I373-F377 PolarHBondContact O-N 2.98Å; R374-F377 PolarHBondContact O-N 3.22Å; F377-N405 WeakPolarHBondContact CE1-O 3.27Å; F377-N405 HydrophobicContact CZ-CB 4.15Å; F377-M408 HydrophobicContact CB-CB 4.44Å; F377-M408 HydrophobicContact CD1-CB 3.42Å; F377-M408 VanDerWaalsContact CD1-CB 3.42Å; F377-M408 HydrophobicContact CD2-CB 4.03Å; F377-M408 HydrophobicContact CD2-CG 4.37Å; F377-M408 HydrophobicContact CD2-SD 3.41Å; F377-M408 WeakPolarHBondContact CD2-SD 3.29Å; F377-M408 HydrophobicContact CE1-CB 3.39Å; F377-M408 HydrophobicContact CE2-CB 4.01Å; F377-M408 HydrophobicContact CE2-CG 4.37Å; F377-M408 HydrophobicContact CE2-SD 3.46Å; F377-M408 WeakPolarHBondContact CE2-SD 3.37Å; F377-M408 HydrophobicContact CG-CB 3.75Å; F377-M408 HydrophobicContact CG-CG 4.46Å; F377-M408 HydrophobicContact CG-SD 4Å; F377-M408 HydrophobicContact CZ-CB 3.69Å; F377-M408 HydrophobicContact CZ-CG 4.43Å; F377-M408 HydrophobicContact CZ-SD 4.06Å; F377-L412 HydrophobicContact CB-CD1 3.9Å; F377-L412 WeakPolarHBondContact O-CB 3.07Å; F377-H856 AromaticContact CE2-CE1 3.54Å; F377-H856 AromaticContact CE2-ND1 3.62Å
378	L	90.1	Very high	93.5	Very high	69 Å²	69	33 Å²	33	36%	0.361	17%	0.165	S	C	.	.	H	α-helix	trans	-79.5	-20.1	-178.4	-69.1	161.1	0	0	0	112.8	R374 D376 L412 E763	R374-L378 WeakPolarHBondContact O-CD1 3.33Å; R374-L378 WeakPolarHBondContact O-CG 3.35Å; R374-L378 PolarHBondContact O-N 3.13Å; D376-L378 VanDerWaalsContact C-N 3.3Å; D376-L378 PolarHBondContact O-N 3.4Å; L378-L412 HydrophobicContact CD2-CD1 3.82Å; L378-L412 HydrophobicContact CD2-CD2 4.15Å; L378-L412 HydrophobicContact CG-CD1 4.21Å; L378-E763 HydrophobicContact CD1-CG 4.2Å; L378-E763 VanDerWaalsContact CD1-OE1 3.24Å; L378-E763 WeakPolarHBondContact CD1-OE1 3.4Å
379	S	93.4	Very high	93.8	Very high	58 Å²	58	31.3 Å²	31.3	41%	0.406	16%	0.158	S	C	.	.	H	α-helix	trans	-108.4	-6.8	-175.4	55.6	0	0	0	0	114.8	K289 E375 D376	K289-S379 PolarHBondContact NZ-OG 2.77Å; E375-S379 WeakPolarHBondContact O-CB 3.38Å; E375-S379 PolarHBondContact O-N 2.62Å; E375-S379 PolarHBondContact O-OG 3.42Å; D376-S379 PolarHBondContact O-N 3.16Å; D376-S379 PolarHBondContact O-OG 2.92Å
380	A	96.8	Very high	94.2	Very high	8 Å²	8	31.3 Å²	31.3	7%	0.066	16%	0.158	C	C	.	.			trans	-82.3	131.7	179.9	0	0	0	0	0	113	K289 V291 D376 I382	K289-A380 HydrophobicContact CB-CB 4.28Å; K289-A380 HydrophobicContact CD-CB 4.15Å; K289-A380 HydrophobicContact CG-CB 3.96Å; K289-A380 WeakPolarHBondContact O-CA 3.26Å; K289-A380 WeakPolarHBondContact O-CB 2.97Å; V291-A380 HydrophobicContact CB-CB 4.26Å; V291-A380 HydrophobicContact CG1-CB 3.85Å; V291-A380 HydrophobicContact CG2-CB 3.77Å; D376-A380 WeakPolarHBondContact O-CB 3.36Å; D376-A380 PolarHBondContact O-N 3.26Å; A380-I382 VanDerWaalsContact C-N 3.34Å
381	E	97.6	Very high	94.6	Very high	57 Å²	57	30.2 Å²	30.2	27%	0.266	15%	0.154	S	C	.	.	S	Bend	trans	-76.2	-24.6	179.1	-54.7	92.3	164.3	0	0	112.5	A287 R288 K289 K414 T415	A287-E381 WeakPolarHBondContact CA-OE2 3.34Å; A287-E381 HydrophobicContact CB-CB 4.08Å; R288-E381 VanDerWaalsContact N-CD 3.31Å; R288-E381 PolarHBondContact N-OE1 3.3Å; R288-E381 PolarHBondContact N-OE2 2.84Å; K289-E381 PolarHBondContact N-OE2 3.38Å; K289-E381 PolarHBondContact O-N 3.15Å; K289-E381 VanDerWaalsContact O-N 3.12Å; K289-E381 VanDerWaalsContact O-OE2 3.05Å; E381-K414 PolarHBondContact O-N 2.77Å; E381-T415 PolarHBondContact O-N 3.3Å
382	I	98.5	Very high	95.1	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	134.9	-176.9	-50.1	-169.5	0	0	0	111.9	V281 A282 K285 A287 V290 V291 A380 I384 P413 T415 I417	V281-I382 HydrophobicContact CG1-CD1 4.34Å; A282-I382 HydrophobicContact CB-CD1 4.04Å; K285-I382 HydrophobicContact CB-CD1 4.05Å; K285-I382 HydrophobicContact CG-CD1 4.17Å; A287-I382 HydrophobicContact CB-CD1 3.76Å; A287-I382 HydrophobicContact CB-CG1 3.85Å; V290-I382 WeakPolarHBondContact CA-O 3.46Å; V290-I382 HydrophobicContact CG2-CB 4.29Å; V291-I382 PolarHBondContact N-O 3.2Å; A380-I382 VanDerWaalsContact C-N 3.34Å; I382-I384 HydrophobicContact CG2-CG1 4.12Å; I382-P413 VanDerWaalsContact C-CB 3.48Å; I382-T415 WeakPolarHBondContact CA-O 3.41Å; I382-I417 HydrophobicContact CG2-CD1 3.93Å; I382-I417 HydrophobicContact CG2-CG1 4.03Å
383	G	98.2	Very high	95.4	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	129.1	164.6	0	0	0	0	0	110.9	V291 C409 T415 H416 I417	V291-G383 CarbonylContact O-C 3.45Å; V291-G383 WeakPolarHBondContact O-CA 3.42Å; G383-C409 WeakPolarHBondContact CA-O 3.47Å; G383-T415 PolarHBondContact N-O 2.8Å; G383-H416 WeakPolarHBondContact O-CA 3.41Å; G383-I417 PolarHBondContact O-N 2.76Å
384	I	98.5	Very high	95.8	Very high	2 Å²	2	22 Å²	22	1%	0.01	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	134.6	172.3	-59.8	-174.1	0	0	0	109.1	I278 V290 V291 K292 S293 T298 L307 I382 I417 V419	I278-I384 HydrophobicContact CG2-CD1 3.85Å; V290-I384 HydrophobicContact CG1-CB 4.39Å; V290-I384 HydrophobicContact CG1-CD1 3.62Å; V290-I384 HydrophobicContact CG1-CG1 3.66Å; V291-I384 PolarHBondContact O-N 2.95Å; K292-I384 VanDerWaalsContact CA-O 3.32Å; K292-I384 WeakPolarHBondContact CA-O 3.37Å; K292-I384 HydrophobicContact CB-CB 4.37Å; K292-I384 HydrophobicContact CD-CG2 4.24Å; K292-I384 HydrophobicContact CG-CB 3.91Å; K292-I384 HydrophobicContact CG-CG2 3.94Å; S293-I384 PolarHBondContact N-O 3.32Å; T298-I384 HydrophobicContact CG2-CG2 3.99Å; L307-I384 HydrophobicContact CD1-CD1 3.9Å; I382-I384 HydrophobicContact CG2-CG1 4.12Å; I384-I417 CarbonylContact C-O 3.54Å; I384-I417 WeakPolarHBondContact CA-O 3.4Å; I384-I417 HydrophobicContact CG1-CB 4.23Å; I384-I417 HydrophobicContact CG1-CD1 4.42Å; I384-V419 HydrophobicContact CG2-CG2 4.27Å
385	T	98.1	Very high	96.2	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	162.5	174.5	71.4	0	0	0	0	112.3	S293 L399 C409 T410 H416 I417 V419	S293-T385 WeakPolarHBondContact OG-CA 3.28Å; S293-T385 WeakPolarHBondContact OG-CB 3.36Å; S293-T385 WeakPolarHBondContact OG-CG2 3.43Å; T385-L399 HydrophobicContact CG2-CD1 4.01Å; T385-C409 HydrophobicContact CG2-CB 4.06Å; T385-T410 HydrophobicContact CG2-CG2 3.58Å; T385-H416 WeakPolarHBondContact CG2-NE2 3.31Å; T385-H416 PolarHBondContact OG1-NE2 3.2Å; T385-I417 PolarHBondContact N-O 2.85Å; T385-V419 PolarHBondContact O-N 2.89Å
386	G	96.2	Very high	96.7	Very high	8 Å²	8	14.7 Å²	14.7	8%	0.082	8%	0.084	C	C	.	.			trans	-73.7	-164.3	156	0	0	0	0	0	112.1	S295 L399 V419	S295-G386 VanDerWaalsContact CB-CA 3.49Å; S295-G386 WeakPolarHBondContact OG-CA 3.19Å; G386-L399 WeakPolarHBondContact O-CD2 3.29Å; G386-V419 CarbonylContact C-O 3.23Å; G386-V419 WeakPolarHBondContact CA-O 3.3Å
387	C	97	Very high	96.9	Very high	15 Å²	15	13.8 Å²	13.8	10%	0.101	8%	0.08	C	C	.	.			trans	-148	126.6	170.6	169.5	0	0	0	0	107.6	F389 V397 V419 M420	C387-F389 PolarHBondContact SG-O 3.13Å; C387-F389 VanDerWaalsContact SG-O 3.36Å; C387-V397 HydrophobicContact CB-CG1 4.1Å; C387-V419 PolarHBondContact N-O 3.1Å; C387-M420 HydrophobicContact CB-CB 3.6Å
388	N	97	Very high	97.2	Very high	42 Å²	42	13.8 Å²	13.8	23%	0.225	8%	0.08	C	C	.	.	S	Bend	trans	-76.3	-52.9	173.8	-66.4	86.3	0	0	0	109.4	C398 L399 V400 R424	N388-C398 WeakPolarHBondContact CB-O 3.33Å; N388-C398 PolarHBondContact N-O 3.03Å; N388-L399 WeakPolarHBondContact OD1-CA 3.33Å; N388-V400 HydrophobicContact CB-CB 4.49Å; N388-V400 HydrophobicContact CB-CG2 3.85Å; N388-V400 PolarHBondContact OD1-N 3.16Å; N388-R424 WeakPolarHBondContact O-CD 3.47Å
389	F	98.2	Very high	97.5	Very high	1 Å²	1	10.8 Å²	10.8	0%	0.004	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	148.9	169.3	-56.2	-76.2	0	0	0	110	C387 C398 R424 A426 L435 I494	C387-F389 PolarHBondContact SG-O 3.13Å; C387-F389 VanDerWaalsContact SG-O 3.36Å; F389-C398 WeakPolarHBondContact O-CA 3.17Å; F389-C398 VanDerWaalsContact O-CB 3.26Å; F389-C398 WeakPolarHBondContact O-CB 3.22Å; F389-C398 PolarHBondContact O-N 3.07Å; F389-R424 CarbonylContact C-O 3.57Å; F389-R424 VanDerWaalsContact CA-O 3.24Å; F389-R424 WeakPolarHBondContact CA-O 3.15Å; F389-A426 HydrophobicContact CB-CB 4.33Å; F389-L435 HydrophobicContact CD1-CD1 3.97Å; F389-L435 HydrophobicContact CD2-CB 4.17Å; F389-L435 HydrophobicContact CD2-CD1 4.38Å; F389-L435 HydrophobicContact CE1-CD1 3.78Å; F389-L435 HydrophobicContact CE2-CB 3.57Å; F389-L435 HydrophobicContact CE2-CD1 4.21Å; F389-L435 HydrophobicContact CE2-CG 4.44Å; F389-L435 HydrophobicContact CG-CD1 4.28Å; F389-L435 HydrophobicContact CZ-CB 3.78Å; F389-L435 HydrophobicContact CZ-CD1 3.91Å; F389-L435 HydrophobicContact CZ-CD2 4.34Å; F389-L435 HydrophobicContact CZ-CG 4.23Å; F389-I494 HydrophobicContact CE1-CG2 4.41Å; F389-I494 HydrophobicContact CZ-CB 4.01Å; F389-I494 HydrophobicContact CZ-CG2 3.77Å
390	A	98.6	Very high	97.6	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	5%	0.049	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	140.9	164.6	0	0	0	0	0	109.2	L254 S396 M420 R424 I425 A426	L254-A390 HydrophobicContact CD1-CB 3.86Å; L254-A390 HydrophobicContact CD2-CB 3.71Å; L254-A390 HydrophobicContact CG-CB 4.47Å; A390-S396 CarbonylContact C-O 3.57Å; A390-S396 VanDerWaalsContact CA-O 3.28Å; A390-S396 WeakPolarHBondContact CA-O 3.18Å; A390-M420 HydrophobicContact CB-SD 3.94Å; A390-R424 PolarHBondContact N-O 3.46Å; A390-I425 CarbonylContact O-C 3.12Å; A390-I425 WeakPolarHBondContact O-CA 3.39Å; A390-A426 PolarHBondContact O-N 2.82Å
391	V	98.5	Very high	97.4	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	113.4	179.9	-179.6	0	0	0	0	109	E393 T394 G395 S396 A426 F429 V432	V391-E393 HydrophobicContact CG1-CB 4.3Å; V391-E393 PolarHBondContact O-N 3.46Å; V391-T394 HydrophobicContact CG1-CG2 4.37Å; V391-T394 WeakPolarHBondContact CG1-OG1 3.48Å; V391-G395 WeakPolarHBondContact O-CA 3.4Å; V391-G395 PolarHBondContact O-N 3.03Å; V391-S396 PolarHBondContact N-O 3.07Å; V391-S396 PolarHBondContact O-N 3.33Å; V391-A426 WeakPolarHBondContact CA-O 3.39Å; V391-F429 HydrophobicContact CG2-CD1 3.84Å; V391-F429 HydrophobicContact CG2-CE1 3.76Å; V391-F429 HydrophobicContact CG2-CG 4.43Å; V391-F429 HydrophobicContact CG2-CZ 4.31Å; V391-V432 HydrophobicContact CG2-CG2 3.56Å
392	A	97.9	Very high	97	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	5%	0.054	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-36.3	-175.2	0	0	0	0	0	112.7	Y250 Q253 L254 T394 I425 A426 P427	Y250-A392 HydrophobicContact CD1-CB 3.65Å; Y250-A392 HydrophobicContact CE1-CB 4.4Å; Y250-A392 HydrophobicContact CG-CB 4.48Å; Q253-A392 HydrophobicContact CB-CB 4.49Å; Q253-A392 HydrophobicContact CG-CB 4.47Å; Q253-A392 WeakPolarHBondContact CG-O 3.47Å; L254-A392 HydrophobicContact CB-CB 4.44Å; A392-T394 PolarHBondContact O-N 3.17Å; A392-I425 HydrophobicContact CB-CG2 3.92Å; A392-A426 PolarHBondContact N-O 2.68Å; A392-P427 PolarHBondContact N-O 2.87Å
393	E	96.7	Very high	96.4	Very high	20 Å²	20	9.8 Å²	9.8	9%	0.093	6%	0.056	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-42	178.1	175.5	171.4	-123.1	0	0	113.4	K257 V391 P427 H822 A825 Q826	K257-E393 VanDerWaalsContact CD-O 3.26Å; K257-E393 WeakPolarHBondContact CD-O 3.07Å; K257-E393 VanDerWaalsContact CE-O 3.25Å; K257-E393 WeakPolarHBondContact CE-O 3.27Å; K257-E393 WeakPolarHBondContact CG-O 3.48Å; V391-E393 HydrophobicContact CG1-CB 4.3Å; V391-E393 PolarHBondContact O-N 3.46Å; E393-P427 WeakPolarHBondContact CB-O 3.3Å; E393-P427 PolarHBondContact N-O 3.48Å; E393-H822 VanDerWaalsContact CD-ND1 3.26Å; E393-H822 IonicContact OE1-CE1 3.48Å; E393-H822 PolarHBondContact OE1-CE1 3.34Å; E393-H822 IonicContact OE1-ND1 3.44Å; E393-H822 PolarHBondContact OE1-ND1 3.25Å; E393-H822 IonicContact OE2-CE1 2.85Å; E393-H822 IonicContact OE2-CG 2.75Å; E393-H822 IonicContact OE2-ND1 3.68Å; E393-H822 PolarHBondContact OE2-ND1 3.43Å; E393-A825 HydrophobicContact CG-CB 3.94Å; E393-Q826 PolarHBondContact OE1-NE2 2.88Å
394	T	97.7	Very high	95.9	Very high	9 Å²	9	9.8 Å²	9.8	6%	0.055	6%	0.056	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.9	-12.2	-168.3	62.9	0	0	0	0	114.1	N261 V391 A392 S396 F429 A825 M831	N261-T394 PolarHBondContact ND2-O 2.96Å; V391-T394 HydrophobicContact CG1-CG2 4.37Å; V391-T394 WeakPolarHBondContact CG1-OG1 3.48Å; A392-T394 PolarHBondContact O-N 3.17Å; T394-S396 VanDerWaalsContact C-N 3.32Å; T394-S396 WeakPolarHBondContact OG1-CB 3.14Å; T394-S396 PolarHBondContact OG1-OG 3.27Å; T394-F429 HydrophobicContact CG2-CD2 4.45Å; T394-F429 HydrophobicContact CG2-CE2 3.87Å; T394-A825 HydrophobicContact CG2-CB 3.87Å; T394-M831 HydrophobicContact CG2-CG 3.67Å; T394-M831 HydrophobicContact CG2-SD 4.31Å
395	G	97.7	Very high	95.5	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	6%	0.056	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.4	24.3	-174	0	0	0	0	0	113.4	V391	V391-G395 WeakPolarHBondContact O-CA 3.4Å; V391-G395 PolarHBondContact O-N 3.03Å
396	S	98.4	Very high	95.3	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	6%	0.056	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	140.7	-174.7	-52	0	0	0	0	112.4	A390 V391 T394 L455 T456	A390-S396 CarbonylContact C-O 3.57Å; A390-S396 VanDerWaalsContact CA-O 3.28Å; A390-S396 WeakPolarHBondContact CA-O 3.18Å; V391-S396 PolarHBondContact N-O 3.07Å; V391-S396 PolarHBondContact O-N 3.33Å; T394-S396 VanDerWaalsContact C-N 3.32Å; T394-S396 WeakPolarHBondContact OG1-CB 3.14Å; T394-S396 PolarHBondContact OG1-OG 3.27Å; S396-L455 CarbonylContact C-O 3.58Å; S396-L455 WeakPolarHBondContact CA-O 3.4Å; S396-T456 PolarHBondContact OG-OG1 3.31Å
397	V	98.2	Very high	95.1	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.053	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	123.2	173.2	168.6	0	0	0	0	110.4	C387 L399 A418 W454 L455 F470 L472	C387-V397 HydrophobicContact CB-CG1 4.1Å; V397-L399 HydrophobicContact CG1-CD2 3.88Å; V397-L399 HydrophobicContact CG1-CG 4.37Å; V397-A418 HydrophobicContact CG1-CB 4.16Å; V397-A418 HydrophobicContact CG2-CB 4.24Å; V397-W454 CarbonylContact O-C 3.58Å; V397-W454 WeakPolarHBondContact O-CA 3.25Å; V397-L455 PolarHBondContact N-O 3.12Å; V397-L455 PolarHBondContact O-N 3.46Å; V397-F470 HydrophobicContact CG2-CZ 3.88Å; V397-L472 HydrophobicContact CG2-CD1 4.03Å
398	C	98.1	Very high	95	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	5%	0.048	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	125.8	177.1	-57.1	0	0	0	0	111.8	N388 F389 V432 W454	N388-C398 WeakPolarHBondContact CB-O 3.33Å; N388-C398 PolarHBondContact N-O 3.03Å; F389-C398 WeakPolarHBondContact O-CA 3.17Å; F389-C398 VanDerWaalsContact O-CB 3.26Å; F389-C398 WeakPolarHBondContact O-CB 3.22Å; F389-C398 PolarHBondContact O-N 3.07Å; C398-V432 HydrophobicContact CB-CG1 4.41Å; C398-W454 HydrophobicContact CB-CG 4.34Å
399	L	97.1	Very high	94.9	Very high	6 Å²	6	6.8 Å²	6.8	3%	0.031	4%	0.037	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	139	176	-52.4	179.9	0	0	0	109.8	T385 G386 N388 V397 A406 T410 N452 T453 L455	T385-L399 HydrophobicContact CG2-CD1 4.01Å; G386-L399 WeakPolarHBondContact O-CD2 3.29Å; N388-L399 WeakPolarHBondContact OD1-CA 3.33Å; V397-L399 HydrophobicContact CG1-CD2 3.88Å; V397-L399 HydrophobicContact CG1-CG 4.37Å; L399-A406 HydrophobicContact CD1-CB 4.26Å; L399-T410 HydrophobicContact CD1-CG2 4.02Å; L399-N452 CarbonylContact O-C 3.26Å; L399-N452 WeakPolarHBondContact O-CA 3.41Å; L399-T453 PolarHBondContact N-O 3.24Å; L399-T453 PolarHBondContact O-N 3.07Å; L399-L455 HydrophobicContact CD1-CD1 3.72Å; L399-L455 HydrophobicContact CG-CD1 4.42Å
400	V	95.1	Very high	94.8	Very high	17 Å²	17	6.8 Å²	6.8	10%	0.103	4%	0.037	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	105.3	-172.5	-176.5	0	0	0	0	109.4	N388 I436 L439 T449 N452	N388-V400 HydrophobicContact CB-CB 4.49Å; N388-V400 HydrophobicContact CB-CG2 3.85Å; N388-V400 PolarHBondContact OD1-N 3.16Å; V400-I436 HydrophobicContact CG2-CG2 3.89Å; V400-L439 HydrophobicContact CG1-CD2 4.29Å; V400-T449 HydrophobicContact CG1-CG2 3.7Å; V400-T449 VanDerWaalsContact CG1-OG1 3.25Å; V400-T449 WeakPolarHBondContact CG1-OG1 3.12Å; V400-N452 WeakPolarHBondContact CG2-OD1 3.15Å
401	T	93.3	Very high	94.7	Very high	25 Å²	25	6.9 Å²	6.9	15%	0.153	4%	0.038	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	169.5	-175.2	68.4	0	0	0	0	112.9	A406 T449 G450 Y451	T401-A406 HydrophobicContact CG2-CB 3.71Å; T401-T449 WeakPolarHBondContact O-CB 3.4Å; T401-T449 PolarHBondContact O-OG1 3.4Å; T401-G450 PolarHBondContact O-N 2.78Å; T401-Y451 PolarHBondContact N-O 3.08Å; T401-Y451 PolarHBondContact O-N 3.35Å
402	N	88.4	Confident	94.5	Very high	52 Å²	52	8.3 Å²	8.3	28%	0.278	5%	0.046	S	C	.	.	S	Bend	trans	-109.7	-25.9	174.1	-64.5	-42.9	0	0	0	113.6	T449 G450 Y451 S843	N402-T449 WeakPolarHBondContact OD1-CA 3.21Å; N402-T449 WeakPolarHBondContact OD1-CB 3.37Å; N402-G450 PolarHBondContact OD1-N 2.86Å; N402-Y451 WeakPolarHBondContact O-CE2 3.38Å; N402-S843 CarbonylContact C-O 3.41Å; N402-S843 VanDerWaalsContact C-O 3.3Å; N402-S843 WeakPolarHBondContact CB-O 3.46Å; N402-S843 PolarHBondContact O-N 3.09Å
403	E	85.8	Confident	94.5	Very high	9 Å²	9	8.4 Å²	8.4	4%	0.042	5%	0.046	C	C	.	.	S	Bend	trans	-91.3	-23.5	-168.2	-56.8	-170.6	164.2	0	0	113.5	L319 N405 S842 T844 V855 H856 G857	L319-E403 WeakPolarHBondContact CB-OE1 3.48Å; L319-E403 PolarHBondContact N-OE2 3Å; E403-N405 VanDerWaalsContact C-N 3.29Å; E403-S842 WeakPolarHBondContact O-CB 3.44Å; E403-S842 PolarHBondContact O-OG 2.94Å; E403-T844 WeakPolarHBondContact OE1-CB 3.25Å; E403-T844 PolarHBondContact OE1-OG1 3.09Å; E403-V855 HydrophobicContact CB-CB 4.09Å; E403-V855 HydrophobicContact CB-CG1 4.23Å; E403-V855 HydrophobicContact CB-CG2 4.36Å; E403-V855 HydrophobicContact CG-CB 4.38Å; E403-V855 HydrophobicContact CG-CG1 4.37Å; E403-V855 HydrophobicContact CG-CG2 4.19Å; E403-H856 PolarHBondContact O-N 2.98Å; E403-G857 PolarHBondContact O-N 3.03Å
404	G	86.5	Confident	94.4	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	7%	0.065	C	C	.	.	S	Bend	trans	86	-2.3	-177.1	0	0	0	0	0	114.1	A406 R407 M408 Y451	G404-A406 PolarHBondContact O-N 3.32Å; G404-R407 WeakPolarHBondContact O-CB 3.44Å; G404-R407 PolarHBondContact O-N 3.06Å; G404-M408 PolarHBondContact O-N 2.93Å; G404-Y451 VanDerWaalsContact CA-CD2 3.47Å; G404-Y451 VanDerWaalsContact CA-CE2 3.47Å; G404-Y451 VanDerWaalsContact N-CD2 3.33Å
405	N	90.9	Very high	94.5	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-46.4	-52	170.4	54.9	-9.7	0	0	0	113.9	T317 D318 F377 E403 R407 M408 C409	T317-N405 WeakPolarHBondContact O-CB 3.38Å; T317-N405 PolarHBondContact O-ND2 2.72Å; D318-N405 WeakPolarHBondContact CA-ND2 3.49Å; D318-N405 WeakPolarHBondContact CB-ND2 3.44Å; D318-N405 PolarHBondContact OD2-ND2 3.43Å; F377-N405 WeakPolarHBondContact CE1-O 3.27Å; F377-N405 HydrophobicContact CZ-CB 4.15Å; E403-N405 VanDerWaalsContact C-N 3.29Å; N405-R407 PolarHBondContact O-N 2.88Å; N405-M408 WeakPolarHBondContact O-CB 3.49Å; N405-M408 PolarHBondContact O-N 2.88Å; N405-C409 PolarHBondContact O-N 3.3Å
406	A	93	Very high	94.5	Very high	2 Å²	2	12.5 Å²	12.5	2%	0.017	6%	0.063	C	C	.	.	H	α-helix	trans	-62.1	-31.4	178.7	0	0	0	0	0	112.5	L399 T401 G404 C409 T410	L399-A406 HydrophobicContact CD1-CB 4.26Å; T401-A406 HydrophobicContact CG2-CB 3.71Å; G404-A406 PolarHBondContact O-N 3.32Å; A406-C409 PolarHBondContact O-N 3.19Å; A406-T410 WeakPolarHBondContact O-CG2 3.48Å; A406-T410 PolarHBondContact O-N 3.37Å; A406-T410 PolarHBondContact O-OG1 3.11Å
407	R	93.9	Very high	94.5	Very high	1 Å²	1	12.5 Å²	12.5	0%	0.004	6%	0.063	C	C	.	.	H	α-helix	trans	-65.7	-39.2	172.7	-70.2	-176.3	68.9	-143	-2.4	111.3	G404 N405 T410 T411 T453 R792 S795 L796 N836	G404-R407 WeakPolarHBondContact O-CB 3.44Å; G404-R407 PolarHBondContact O-N 3.06Å; N405-R407 PolarHBondContact O-N 2.88Å; R407-T410 CarbonylContact O-C 3.45Å; R407-T410 PolarHBondContact O-N 3.34Å; R407-T410 PolarHBondContact O-OG1 2.89Å; R407-T411 WeakPolarHBondContact O-CB 3.39Å; R407-T411 PolarHBondContact O-N 3.05Å; R407-T411 VanDerWaalsContact O-N 3.07Å; R407-T411 PolarHBondContact O-OG1 3.26Å; R407-T453 HydrophobicContact CG-CG2 4.25Å; R407-T453 WeakPolarHBondContact CG-OG1 3.48Å; R407-R792 PolarHBondContact NH2-O 2.98Å; R407-S795 PolarHBondContact NH1-O 3.02Å; R407-S795 PolarHBondContact NH2-OG 2.87Å; R407-L796 HydrophobicContact CB-CD1 3.79Å; R407-L796 HydrophobicContact CB-CD2 3.82Å; R407-L796 HydrophobicContact CB-CG 4.47Å; R407-N836 WeakPolarHBondContact CD-OD1 3Å; R407-N836 PolarHBondContact NE-OD1 2.79Å
408	M	93.9	Very high	94.5	Very high	1 Å²	1	12.5 Å²	12.5	1%	0.005	6%	0.063	C	C	.	.	H	α-helix	trans	-66.8	-45.2	176	-70.9	-177.2	170.4	0	0	111.3	F377 G404 N405 T410 T411 L412 P413 L796 L797 H856	F377-M408 HydrophobicContact CB-CB 4.44Å; F377-M408 HydrophobicContact CD1-CB 3.42Å; F377-M408 VanDerWaalsContact CD1-CB 3.42Å; F377-M408 HydrophobicContact CD2-CB 4.03Å; F377-M408 HydrophobicContact CD2-CG 4.37Å; F377-M408 HydrophobicContact CD2-SD 3.41Å; F377-M408 WeakPolarHBondContact CD2-SD 3.29Å; F377-M408 HydrophobicContact CE1-CB 3.39Å; F377-M408 HydrophobicContact CE2-CB 4.01Å; F377-M408 HydrophobicContact CE2-CG 4.37Å; F377-M408 HydrophobicContact CE2-SD 3.46Å; F377-M408 WeakPolarHBondContact CE2-SD 3.37Å; F377-M408 HydrophobicContact CG-CB 3.75Å; F377-M408 HydrophobicContact CG-CG 4.46Å; F377-M408 HydrophobicContact CG-SD 4Å; F377-M408 HydrophobicContact CZ-CB 3.69Å; F377-M408 HydrophobicContact CZ-CG 4.43Å; F377-M408 HydrophobicContact CZ-SD 4.06Å; G404-M408 PolarHBondContact O-N 2.93Å; N405-M408 WeakPolarHBondContact O-CB 3.49Å; N405-M408 PolarHBondContact O-N 2.88Å; M408-T410 PolarHBondContact O-N 2.83Å; M408-T411 PolarHBondContact O-N 3.08Å; M408-T411 VanDerWaalsContact O-N 3.09Å; M408-L412 PolarHBondContact O-N 3.3Å; M408-P413 WeakPolarHBondContact O-CD 3.41Å; M408-L796 HydrophobicContact CE-CD1 4.4Å; M408-L796 HydrophobicContact CE-CG 4.19Å; M408-L796 HydrophobicContact CG-CD1 4.11Å; M408-L796 HydrophobicContact CG-CD2 3.75Å; M408-L796 HydrophobicContact CG-CG 3.95Å; M408-L797 HydrophobicContact CE-CD2 3.93Å; M408-H856 HydrophobicContact CE-CB 4.14Å; M408-H856 WeakPolarHBondContact CE-O 3.39Å; M408-H856 HydrophobicContact SD-CB 3.86Å
409	C	95.3	Very high	94.5	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-52.8	-26.7	172	-68.4	0	0	0	0	113.7	G383 T385 N405 A406 P413	G383-C409 WeakPolarHBondContact CA-O 3.47Å; T385-C409 HydrophobicContact CG2-CB 4.06Å; N405-C409 PolarHBondContact O-N 3.3Å; A406-C409 PolarHBondContact O-N 3.19Å; C409-P413 WeakPolarHBondContact O-CD 3.3Å
410	T	96.5	Very high	94.6	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	6%	0.062	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.4	20.5	-177.4	69.9	0	0	0	0	113.4	T385 L399 A406 R407 M408 H416 L455 R792	T385-T410 HydrophobicContact CG2-CG2 3.58Å; L399-T410 HydrophobicContact CD1-CG2 4.02Å; A406-T410 WeakPolarHBondContact O-CG2 3.48Å; A406-T410 PolarHBondContact O-N 3.37Å; A406-T410 PolarHBondContact O-OG1 3.11Å; R407-T410 CarbonylContact O-C 3.45Å; R407-T410 PolarHBondContact O-N 3.34Å; R407-T410 PolarHBondContact O-OG1 2.89Å; M408-T410 PolarHBondContact O-N 2.83Å; T410-H416 WeakPolarHBondContact CG2-NE2 3.46Å; T410-L455 HydrophobicContact CG2-CD1 3.57Å; T410-R792 PolarHBondContact O-NH1 3.3Å
411	T	95.6	Very high	94.7	Very high	3 Å²	3	11.5 Å²	11.5	2%	0.018	6%	0.057	C	C	.	.	T	Hydrogen-bonded Turn	trans	-129	-42.6	177.8	-62.4	0	0	0	0	112.1	R407 M408 D465 G466 R792 S793 L796	R407-T411 WeakPolarHBondContact O-CB 3.39Å; R407-T411 PolarHBondContact O-N 3.05Å; R407-T411 VanDerWaalsContact O-N 3.07Å; R407-T411 PolarHBondContact O-OG1 3.26Å; M408-T411 PolarHBondContact O-N 3.08Å; M408-T411 VanDerWaalsContact O-N 3.09Å; T411-D465 HydrophobicContact CG2-CB 4.11Å; T411-G466 WeakPolarHBondContact O-CA 3.43Å; T411-G466 PolarHBondContact O-N 3.35Å; T411-R792 HydrophobicContact CG2-CB 3.62Å; T411-S793 WeakPolarHBondContact CG2-OG 3.43Å; T411-L796 HydrophobicContact CG2-CD2 4.25Å
412	L	95.3	Very high	94.9	Very high	30 Å²	30	10.3 Å²	10.3	16%	0.157	5%	0.05	C	C	.	.	S	Bend	trans	-94.7	-45.1	-174.1	-58.8	172.3	0	0	0	113.5	F377 L378 M408 I759 L797	F377-L412 HydrophobicContact CB-CD1 3.9Å; F377-L412 WeakPolarHBondContact O-CB 3.07Å; L378-L412 HydrophobicContact CD2-CD1 3.82Å; L378-L412 HydrophobicContact CD2-CD2 4.15Å; L378-L412 HydrophobicContact CG-CD1 4.21Å; M408-L412 PolarHBondContact O-N 3.3Å; L412-I759 HydrophobicContact CD2-CG2 3.67Å; L412-L797 HydrophobicContact CD1-CD2 3.99Å; L412-L797 HydrophobicContact CD2-CD1 4.18Å; L412-L797 HydrophobicContact CD2-CD2 4.36Å
413	P	96.3	Very high	95.3	Very high	1 Å²	1	8 Å²	8	1%	0.006	4%	0.037	C	C	.	.	S	Bend	trans	-67.1	138.7	177.2	-22.1	35.1	0	0	0	112.7	V291 I382 M408 C409 T415	V291-P413 HydrophobicContact CG2-CG 3.59Å; I382-P413 VanDerWaalsContact C-CB 3.48Å; M408-P413 WeakPolarHBondContact O-CD 3.41Å; C409-P413 WeakPolarHBondContact O-CD 3.3Å; P413-T415 VanDerWaalsContact C-N 3.26Å; P413-T415 PolarHBondContact O-N 2.95Å
414	K	96.1	Very high	95.8	Very high	112 Å²	112	8.2 Å²	8.2	49%	0.487	4%	0.038	S	C	.	.	S	Bend	trans	-69.8	-20	-179.5	-76.5	171.3	163.1	-89	0	113.8	E381 P467 E468 E469	E381-K414 PolarHBondContact O-N 2.77Å; K414-P467 CarbonylContact O-C 3.55Å; K414-P467 WeakPolarHBondContact O-CA 3.23Å; K414-E468 IonicContact NZ-OE1 2.9Å; K414-E468 PolarHBondContact NZ-OE1 2.87Å; K414-E468 IonicContact NZ-OE2 3.09Å; K414-E468 PolarHBondContact NZ-OE2 3.19Å; K414-E468 WeakPolarHBondContact O-CB 3.28Å; K414-E468 PolarHBondContact O-N 3.02Å; K414-E469 PolarHBondContact O-N 3.11Å
415	T	98.3	Very high	96.4	Very high	2 Å²	2	8.2 Å²	8.2	1%	0.012	4%	0.038	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	133.6	176.1	-45	0	0	0	0	109.4	V281 K285 E381 I382 G383 P413 E469	V281-T415 HydrophobicContact CG1-CG2 4.05Å; K285-T415 WeakPolarHBondContact CD-OG1 3.45Å; K285-T415 WeakPolarHBondContact CE-OG1 3.24Å; K285-T415 HydrophobicContact CG-CG2 4.39Å; E381-T415 PolarHBondContact O-N 3.3Å; I382-T415 WeakPolarHBondContact CA-O 3.41Å; G383-T415 PolarHBondContact N-O 2.8Å; P413-T415 VanDerWaalsContact C-N 3.26Å; P413-T415 PolarHBondContact O-N 2.95Å; T415-E469 WeakPolarHBondContact CA-O 3.44Å; T415-E469 HydrophobicContact CG2-CB 4.39Å
416	H	98.5	Very high	96.7	Very high	1 Å²	1	8.2 Å²	8.2	1%	0.005	4%	0.038	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	128	173.7	173.9	-145.4	0	0	0	110.6	G383 T385 T410 P467 E469 F470 H471	G383-H416 WeakPolarHBondContact O-CA 3.41Å; T385-H416 WeakPolarHBondContact CG2-NE2 3.31Å; T385-H416 PolarHBondContact OG1-NE2 3.2Å; T410-H416 WeakPolarHBondContact CG2-NE2 3.46Å; H416-P467 HydrophobicContact CB-CB 3.67Å; H416-P467 HydrophobicContact CB-CG 3.68Å; H416-E469 PolarHBondContact N-O 3.39Å; H416-F470 HydrophobicContact CB-CD2 4.17Å; H416-F470 AromaticContact CE1-CE2 3.7Å; H416-F470 AromaticContact CG-CD2 3.94Å; H416-F470 AromaticContact ND1-CD2 3.39Å; H416-F470 WeakPolarHBondContact ND1-CD2 3.23Å; H416-F470 AromaticContact ND1-CE2 3.49Å; H416-F470 WeakPolarHBondContact ND1-CE2 3.38Å; H416-F470 CarbonylContact O-C 3.6Å; H416-F470 WeakPolarHBondContact O-CA 3.46Å; H416-H471 PolarHBondContact O-N 3.21Å
417	I	98.6	Very high	97	Very high	1 Å²	1	8.7 Å²	8.7	1%	0.005	4%	0.041	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	111.5	172	-51.1	176	0	0	0	108.7	I278 V281 I382 G383 I384 T385 V419 H471 V473	I278-I417 HydrophobicContact CG1-CG2 4.14Å; I278-I417 HydrophobicContact CG2-CD1 4Å; V281-I417 HydrophobicContact CB-CD1 4.03Å; V281-I417 HydrophobicContact CG1-CD1 3.76Å; V281-I417 HydrophobicContact CG1-CG1 4.31Å; I382-I417 HydrophobicContact CG2-CD1 3.93Å; I382-I417 HydrophobicContact CG2-CG1 4.03Å; G383-I417 PolarHBondContact O-N 2.76Å; I384-I417 CarbonylContact C-O 3.54Å; I384-I417 WeakPolarHBondContact CA-O 3.4Å; I384-I417 HydrophobicContact CG1-CB 4.23Å; I384-I417 HydrophobicContact CG1-CD1 4.42Å; T385-I417 PolarHBondContact N-O 2.85Å; I417-V419 HydrophobicContact CG2-CG2 4.25Å; I417-H471 CarbonylContact C-O 3.56Å; I417-H471 WeakPolarHBondContact CA-O 3.35Å; I417-H471 HydrophobicContact CG1-CB 4.28Å; I417-H471 HydrophobicContact CG2-CB 4.27Å; I417-V473 HydrophobicContact CG2-CG2 3.86Å
418	A	98.6	Very high	97.1	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	5%	0.047	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	127.8	168.6	0	0	0	0	0	109.9	V397 F470 H471 L472 V473	V397-A418 HydrophobicContact CG1-CB 4.16Å; V397-A418 HydrophobicContact CG2-CB 4.24Å; A418-F470 HydrophobicContact CB-CE2 3.83Å; A418-F470 HydrophobicContact CB-CZ 4.14Å; A418-H471 PolarHBondContact N-O 2.74Å; A418-L472 HydrophobicContact CB-CD1 4Å; A418-V473 PolarHBondContact O-N 2.92Å
419	V	98.6	Very high	97.3	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	5%	0.047	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	127.9	175.9	-170.4	0	0	0	0	109.5	I278 V297 T298 I301 I384 T385 G386 C387 I417 V473 V475	I278-V419 HydrophobicContact CD1-CG2 3.78Å; V297-V419 HydrophobicContact CG1-CB 4.24Å; V297-V419 HydrophobicContact CG1-CG1 3.95Å; V297-V419 WeakPolarHBondContact CG1-O 3.43Å; V297-V419 HydrophobicContact CG2-CG1 4.21Å; T298-V419 HydrophobicContact CG2-CB 3.98Å; T298-V419 HydrophobicContact CG2-CG2 3.99Å; I301-V419 HydrophobicContact CD1-CG1 4.18Å; I384-V419 HydrophobicContact CG2-CG2 4.27Å; T385-V419 PolarHBondContact O-N 2.89Å; G386-V419 CarbonylContact C-O 3.23Å; G386-V419 WeakPolarHBondContact CA-O 3.3Å; C387-V419 PolarHBondContact N-O 3.1Å; I417-V419 HydrophobicContact CG2-CG2 4.25Å; V419-V473 HydrophobicContact CG1-CB 4.41Å; V419-V473 HydrophobicContact CG1-CG1 4.39Å; V419-V473 HydrophobicContact CG2-CB 4.33Å; V419-V475 HydrophobicContact CG1-CG2 3.93Å
420	M	97.9	Very high	97.3	Very high	1 Å²	1	11 Å²	11	1%	0.005	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	145.5	-179.2	84.2	174.8	-139.9	0	0	112	L251 L254 C387 A390 R424 I425 L472 V473 I474 V475	L251-M420 HydrophobicContact CD2-CE 4.3Å; L254-M420 HydrophobicContact CD2-CE 3.77Å; L254-M420 HydrophobicContact CD2-SD 4.28Å; C387-M420 HydrophobicContact CB-CB 3.6Å; A390-M420 HydrophobicContact CB-SD 3.94Å; M420-R424 HydrophobicContact CB-CB 4.01Å; M420-R424 HydrophobicContact CB-CG 4.16Å; M420-R424 HydrophobicContact CE-CB 4.38Å; M420-R424 HydrophobicContact CG-CB 4.33Å; M420-R424 HydrophobicContact SD-CB 4.12Å; M420-I425 HydrophobicContact CE-CD1 4.27Å; M420-I425 HydrophobicContact CE-CG1 3.84Å; M420-L472 HydrophobicContact CG-CD1 4.2Å; M420-L472 HydrophobicContact SD-CD1 4.03Å; M420-L472 HydrophobicContact SD-CD2 4.38Å; M420-V473 PolarHBondContact N-O 3.21Å; M420-I474 HydrophobicContact CE-CD1 4.29Å; M420-I474 HydrophobicContact CE-CG1 4.09Å; M420-I474 HydrophobicContact CE-CG2 4.07Å; M420-I474 HydrophobicContact CG-CG1 4.13Å; M420-I474 HydrophobicContact CG-CG2 4.49Å; M420-I474 HydrophobicContact SD-CG1 4.37Å; M420-V475 PolarHBondContact O-N 3.02Å
421	G	97	Very high	97.4	Very high	1 Å²	1	11.8 Å²	11.8	1%	0.01	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	144.5	160.2	0	0	0	0	0	109.9	E423 R424 V475	G421-E423 VanDerWaalsContact CA-OE2 3.29Å; G421-E423 WeakPolarHBondContact CA-OE2 3.48Å; G421-E423 PolarHBondContact O-N 3.42Å; G421-R424 WeakPolarHBondContact O-CB 3.42Å; G421-R424 WeakPolarHBondContact O-CG 3.33Å; G421-R424 PolarHBondContact O-N 3.38Å; G421-V475 CarbonylContact C-O 3.59Å; G421-V475 WeakPolarHBondContact CA-O 3.27Å
422	M	97.1	Very high	97.5	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	6%	0.061	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-20.4	-175.2	72.2	176.1	-152.5	0	0	114.3	L247 L251 R424 I474 V475 D476 R479 L483 F645 V649	L247-M422 HydrophobicContact CD2-CE 3.87Å; L247-M422 HydrophobicContact CD2-CG 4.28Å; L251-M422 HydrophobicContact CD1-CB 4.38Å; L251-M422 HydrophobicContact CD2-CB 4.31Å; M422-R424 VanDerWaalsContact C-N 3.27Å; M422-R424 PolarHBondContact O-N 3.31Å; M422-I474 HydrophobicContact CB-CG2 3.77Å; M422-V475 PolarHBondContact N-O 2.85Å; M422-D476 HydrophobicContact SD-CB 4.01Å; M422-R479 HydrophobicContact CE-CB 3.84Å; M422-R479 HydrophobicContact CG-CB 4.04Å; M422-R479 HydrophobicContact SD-CB 4.21Å; M422-L483 HydrophobicContact CE-CD2 4.25Å; M422-F645 HydrophobicContact CB-CE1 4.28Å; M422-F645 HydrophobicContact CB-CZ 4.01Å; M422-F645 HydrophobicContact SD-CE1 3.99Å; M422-F645 HydrophobicContact SD-CZ 3.9Å; M422-V649 HydrophobicContact CE-CG2 4.03Å; M422-V649 HydrophobicContact SD-CG2 3.81Å
423	E	97.5	Very high	97.5	Very high	3 Å²	3	10.2 Å²	10.2	1%	0.014	5%	0.053	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-7.1	177.1	84	-70.4	178.8	0	0	114.3	R240 L244 G421 I425 R479 L491	R240-E423 VanDerWaalsContact CZ-O 3.28Å; R240-E423 PolarHBondContact NH1-O 2.99Å; R240-E423 PolarHBondContact NH2-O 3.49Å; L244-E423 HydrophobicContact CD2-CB 4.09Å; G421-E423 VanDerWaalsContact CA-OE2 3.29Å; G421-E423 WeakPolarHBondContact CA-OE2 3.48Å; G421-E423 PolarHBondContact O-N 3.42Å; E423-I425 PolarHBondContact O-N 3.27Å; E423-R479 WeakPolarHBondContact OE2-CD 3.43Å; E423-R479 IonicContact OE2-NE 2.74Å; E423-R479 PolarHBondContact OE2-NE 2.96Å; E423-L491 HydrophobicContact CB-CB 4.07Å; E423-L491 HydrophobicContact CB-CD2 4.49Å; E423-L491 HydrophobicContact CG-CB 4.16Å; E423-L491 HydrophobicContact CG-CD2 4.37Å; E423-L491 WeakPolarHBondContact CG-O 3.27Å
424	R	97.6	Very high	97.6	Very high	14 Å²	14	10.3 Å²	10.3	5%	0.053	5%	0.054	C	C	.	.			trans	-79.2	43.6	-169.3	-64	-73.5	137.3	-156	-7.7	114.2	N388 F389 A390 M420 G421 M422 C493	N388-R424 WeakPolarHBondContact O-CD 3.47Å; F389-R424 CarbonylContact C-O 3.57Å; F389-R424 VanDerWaalsContact CA-O 3.24Å; F389-R424 WeakPolarHBondContact CA-O 3.15Å; A390-R424 PolarHBondContact N-O 3.46Å; M420-R424 HydrophobicContact CB-CB 4.01Å; M420-R424 HydrophobicContact CB-CG 4.16Å; M420-R424 HydrophobicContact CE-CB 4.38Å; M420-R424 HydrophobicContact CG-CB 4.33Å; M420-R424 HydrophobicContact SD-CB 4.12Å; G421-R424 WeakPolarHBondContact O-CB 3.42Å; G421-R424 WeakPolarHBondContact O-CG 3.33Å; G421-R424 PolarHBondContact O-N 3.38Å; M422-R424 VanDerWaalsContact C-N 3.27Å; M422-R424 PolarHBondContact O-N 3.31Å; R424-C493 VanDerWaalsContact CZ-O 3.24Å; R424-C493 PolarHBondContact NH1-O 3.06Å; R424-C493 PolarHBondContact NH2-O 3.25Å
425	I	98.3	Very high	97.7	Very high	0 Å²	0	5 Å²	5	0%	0	3%	0.031	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	148.4	-178	-55.6	-180	0	0	0	112.5	R240 V243 L247 Y250 L251 L254 A390 A392 M420 E423	R240-I425 PolarHBondContact NH1-O 3.24Å; V243-I425 HydrophobicContact CG1-CB 3.88Å; V243-I425 HydrophobicContact CG1-CG2 4.44Å; L247-I425 HydrophobicContact CD1-CD1 4.29Å; Y250-I425 HydrophobicContact CG-CG2 4.44Å; L251-I425 HydrophobicContact CD2-CD1 3.79Å; L251-I425 HydrophobicContact CG-CD1 3.88Å; L254-I425 HydrophobicContact CD2-CD1 3.93Å; L254-I425 HydrophobicContact CD2-CG1 4.05Å; A390-I425 CarbonylContact O-C 3.12Å; A390-I425 WeakPolarHBondContact O-CA 3.39Å; A392-I425 HydrophobicContact CB-CG2 3.92Å; M420-I425 HydrophobicContact CE-CD1 4.27Å; M420-I425 HydrophobicContact CE-CG1 3.84Å; E423-I425 PolarHBondContact O-N 3.27Å
426	A	98	Very high	97.6	Very high	0 Å²	0	5 Å²	5	0%	0	3%	0.03	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	145.7	157.5	0	0	0	0	0	108.8	F389 A390 V391 A392 E431 V432 L435	F389-A426 HydrophobicContact CB-CB 4.33Å; A390-A426 PolarHBondContact O-N 2.82Å; V391-A426 WeakPolarHBondContact CA-O 3.39Å; A392-A426 PolarHBondContact N-O 2.68Å; A426-E431 HydrophobicContact CB-CB 4.09Å; A426-V432 HydrophobicContact CB-CG2 3.62Å; A426-L435 HydrophobicContact CB-CD1 4.28Å
427	P	97.6	Very high	97.5	Very high	12 Å²	12	5 Å²	5	8%	0.078	3%	0.031	C	C	.	.	S	Bend	trans	-63.4	-58.6	178.5	-20.8	33.6	0	0	0	112.2	V243 Y250 A392 E393 E431	V243-P427 HydrophobicContact CG2-CG 3.92Å; Y250-P427 HydrophobicContact CE1-CB 3.8Å; Y250-P427 HydrophobicContact CE1-CG 4.09Å; Y250-P427 HydrophobicContact CE2-CG 4.38Å; Y250-P427 WeakPolarHBondContact OH-CG 3.14Å; A392-P427 PolarHBondContact N-O 2.87Å; E393-P427 WeakPolarHBondContact CB-O 3.3Å; E393-P427 PolarHBondContact N-O 3.48Å; P427-E431 HydrophobicContact CG-CG 4.21Å
428	T	97.3	Very high	97.4	Very high	23 Å²	23	5 Å²	5	14%	0.141	3%	0.031	C	C	.	.	S	Bend	trans	-124.6	179.8	179.8	78.8	0	0	0	0	111.4	A430 E431 V432	T428-A430 PolarHBondContact O-N 3.14Å; T428-A430 WeakPolarHBondContact OG1-CB 3.48Å; T428-A430 PolarHBondContact OG1-N 2.88Å; T428-E431 WeakPolarHBondContact CB-OE2 3.31Å; T428-E431 PolarHBondContact N-OE2 2.97Å; T428-E431 PolarHBondContact O-N 3.41Å; T428-E431 PolarHBondContact OG1-OE2 3.18Å; T428-V432 PolarHBondContact O-N 3.14Å
429	F	97.4	Very high	97.4	Very high	0 Å²	0	5.7 Å²	5.7	0%	0	3%	0.034	C	C	.	.	H	α-helix	trans	-66.2	-20	170.2	-72.1	-68	0	0	0	114	V391 T394 V432 D433 W454 A818 L821 M831	V391-F429 HydrophobicContact CG2-CD1 3.84Å; V391-F429 HydrophobicContact CG2-CE1 3.76Å; V391-F429 HydrophobicContact CG2-CG 4.43Å; V391-F429 HydrophobicContact CG2-CZ 4.31Å; T394-F429 HydrophobicContact CG2-CD2 4.45Å; T394-F429 HydrophobicContact CG2-CE2 3.87Å; F429-V432 WeakPolarHBondContact O-CB 3.49Å; F429-V432 PolarHBondContact O-N 3.43Å; F429-D433 PolarHBondContact O-N 3.45Å; F429-W454 HydrophobicContact CB-CZ3 4.47Å; F429-W454 AromaticContact CD1-CD2 3.88Å; F429-W454 HydrophobicContact CD1-CD2 3.88Å; F429-W454 AromaticContact CD1-CE3 3.41Å; F429-W454 HydrophobicContact CD1-CE3 3.41Å; F429-W454 VanDerWaalsContact CD1-CE3 3.41Å; F429-W454 AromaticContact CD1-CH2 3.99Å; F429-W454 HydrophobicContact CD1-CH2 3.99Å; F429-W454 HydrophobicContact CD1-CZ2 4.42Å; F429-W454 AromaticContact CD1-CZ3 3.48Å; F429-W454 HydrophobicContact CD1-CZ3 3.48Å; F429-W454 VanDerWaalsContact CD1-CZ3 3.48Å; F429-W454 HydrophobicContact CE1-CB 4.03Å; F429-W454 AromaticContact CE1-CD2 3.6Å; F429-W454 HydrophobicContact CE1-CD2 3.6Å; F429-W454 AromaticContact CE1-CE3 3.26Å; F429-W454 HydrophobicContact CE1-CE3 3.26Å; F429-W454 AromaticContact CE1-CG 3.98Å; F429-W454 HydrophobicContact CE1-CG 3.98Å; F429-W454 AromaticContact CE1-CZ3 3.86Å; F429-W454 HydrophobicContact CE1-CZ3 3.86Å; F429-W454 HydrophobicContact CG-CE3 4.31Å; F429-W454 HydrophobicContact CG-CZ3 4.07Å; F429-W454 HydrophobicContact CZ-CE3 4.06Å; F429-A818 VanDerWaalsContact C-CB 3.48Å; F429-A818 HydrophobicContact CB-CB 3.63Å; F429-L821 HydrophobicContact CD2-CB 3.72Å; F429-L821 HydrophobicContact CD2-CD1 3.89Å; F429-L821 HydrophobicContact CD2-CG 4.45Å; F429-L821 HydrophobicContact CE2-CB 4.14Å; F429-L821 HydrophobicContact CE2-CD1 4.09Å; F429-L821 HydrophobicContact CG-CD1 4.15Å; F429-M831 HydrophobicContact CE2-CG 4.13Å; F429-M831 HydrophobicContact CE2-SD 4.14Å
430	A	96.2	Very high	97.2	Very high	27 Å²	27	5.8 Å²	5.8	22%	0.223	4%	0.035	C	C	.	.	H	α-helix	trans	-69.1	-37.2	178.6	0	0	0	0	0	111.2	T428 D433 V434 A818	T428-A430 PolarHBondContact O-N 3.14Å; T428-A430 WeakPolarHBondContact OG1-CB 3.48Å; T428-A430 PolarHBondContact OG1-N 2.88Å; A430-D433 PolarHBondContact O-N 2.93Å; A430-V434 PolarHBondContact O-N 3Å; A430-A818 HydrophobicContact CB-CB 4.41Å
431	E	97.4	Very high	97	Very high	16 Å²	16	5.7 Å²	5.7	8%	0.075	4%	0.035	C	C	.	.	H	α-helix	trans	-73.2	-33	173.7	-69.6	71.9	-116.5	0	0	111.5	R235 I239 A426 P427 T428 V434 L435	R235-E431 IonicContact NH2-OE1 2.75Å; R235-E431 PolarHBondContact NH2-OE1 2.92Å; I239-E431 HydrophobicContact CB-CG 4.41Å; I239-E431 HydrophobicContact CD1-CB 4.06Å; I239-E431 HydrophobicContact CD1-CG 3.82Å; I239-E431 HydrophobicContact CG1-CB 4.36Å; I239-E431 HydrophobicContact CG1-CG 3.77Å; I239-E431 HydrophobicContact CG2-CB 3.74Å; I239-E431 HydrophobicContact CG2-CG 3.79Å; A426-E431 HydrophobicContact CB-CB 4.09Å; P427-E431 HydrophobicContact CG-CG 4.21Å; T428-E431 WeakPolarHBondContact CB-OE2 3.31Å; T428-E431 PolarHBondContact N-OE2 2.97Å; T428-E431 PolarHBondContact O-N 3.41Å; T428-E431 PolarHBondContact OG1-OE2 3.18Å; E431-V434 PolarHBondContact O-N 3.28Å; E431-L435 WeakPolarHBondContact O-CB 3.3Å; E431-L435 WeakPolarHBondContact O-CD1 3.38Å; E431-L435 WeakPolarHBondContact O-CG 3.49Å; E431-L435 PolarHBondContact O-N 2.95Å
432	V	97.6	Very high	97	Very high	0 Å²	0	5.7 Å²	5.7	0%	0	3%	0.034	C	C	.	.	H	α-helix	trans	-59.7	-45.7	171.3	174.9	0	0	0	0	110.8	V391 C398 A426 T428 F429 V434 L435 I436 W454	V391-V432 HydrophobicContact CG2-CG2 3.56Å; C398-V432 HydrophobicContact CB-CG1 4.41Å; A426-V432 HydrophobicContact CB-CG2 3.62Å; T428-V432 PolarHBondContact O-N 3.14Å; F429-V432 WeakPolarHBondContact O-CB 3.49Å; F429-V432 PolarHBondContact O-N 3.43Å; V432-V434 PolarHBondContact O-N 2.76Å; V432-L435 PolarHBondContact O-N 3.12Å; V432-I436 HydrophobicContact CG1-CD1 4.32Å; V432-I436 HydrophobicContact CG1-CG2 3.98Å; V432-I436 WeakPolarHBondContact O-CG1 3.37Å; V432-I436 WeakPolarHBondContact O-CG2 3.46Å; V432-I436 PolarHBondContact O-N 3.27Å; V432-W454 HydrophobicContact CG1-CZ2 3.98Å
433	D	96.7	Very high	96.8	Very high	0 Å²	0	6 Å²	6	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-53.3	-52	175.8	163.2	56.7	0	0	0	112.1	F429 A430 L435 I436 T437 R813 V814	F429-D433 PolarHBondContact O-N 3.45Å; A430-D433 PolarHBondContact O-N 2.93Å; D433-L435 VanDerWaalsContact C-N 3.29Å; D433-L435 PolarHBondContact O-N 3Å; D433-I436 WeakPolarHBondContact O-CG1 3.38Å; D433-I436 PolarHBondContact O-N 3.25Å; D433-T437 WeakPolarHBondContact O-CB 3.49Å; D433-T437 PolarHBondContact O-N 2.85Å; D433-T437 PolarHBondContact O-OG1 2.92Å; D433-T437 PolarHBondContact OD1-OG1 2.86Å; D433-R813 VanDerWaalsContact CG-NH1 3.35Å; D433-R813 IonicContact OD1-CZ 2.82Å; D433-R813 IonicContact OD1-NH1 3.67Å; D433-R813 PolarHBondContact OD1-NH1 3.3Å; D433-R813 IonicContact OD1-NH2 2.73Å; D433-R813 PolarHBondContact OD1-NH2 3.28Å; D433-R813 IonicContact OD2-CZ 3.3Å; D433-R813 IonicContact OD2-NH1 3.21Å; D433-R813 PolarHBondContact OD2-NH1 2.92Å; D433-R813 IonicContact OD2-NH2 2.81Å; D433-V814 HydrophobicContact CB-CB 4.18Å; D433-V814 HydrophobicContact CB-CG1 4.02Å; D433-V814 WeakPolarHBondContact OD1-CB 3.24Å
434	V	97.3	Very high	96.3	Very high	4 Å²	4	7.7 Å²	7.7	2%	0.024	5%	0.047	C	C	.	.	H	α-helix	trans	-58.2	-44.9	178.2	176.3	0	0	0	0	110.8	W232 R235 A236 I239 A430 E431 V432 M438 A672	W232-V434 HydrophobicContact CE3-CG1 4.2Å; W232-V434 HydrophobicContact CZ3-CB 4.43Å; W232-V434 HydrophobicContact CZ3-CG1 4.26Å; W232-V434 HydrophobicContact CZ3-CG2 4.17Å; R235-V434 HydrophobicContact CG-CG1 4.17Å; R235-V434 HydrophobicContact CG-CG2 4.35Å; A236-V434 HydrophobicContact CB-CG1 3.97Å; I239-V434 HydrophobicContact CD1-CB 3.79Å; I239-V434 HydrophobicContact CD1-CG1 3.79Å; I239-V434 HydrophobicContact CD1-CG2 4.12Å; A430-V434 PolarHBondContact O-N 3Å; E431-V434 PolarHBondContact O-N 3.28Å; V432-V434 PolarHBondContact O-N 2.76Å; V434-M438 WeakPolarHBondContact O-CB 3.32Å; V434-M438 VanDerWaalsContact O-CG 3.26Å; V434-M438 WeakPolarHBondContact O-CG 3.46Å; V434-M438 PolarHBondContact O-N 3Å; V434-M438 VanDerWaalsContact O-N 3.08Å; V434-A672 HydrophobicContact CG2-CB 3.97Å
435	L	97.9	Very high	96	Very high	0 Å²	0	7.6 Å²	7.6	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-71	-38.8	-176	-66.4	168.6	0	0	0	112.9	I239 R240 F389 A426 E431 V432 D433 L439 I494 V555	I239-L435 HydrophobicContact CG2-CD1 3.91Å; I239-L435 HydrophobicContact CG2-CG 4.35Å; R240-L435 HydrophobicContact CG-CD2 3.83Å; F389-L435 HydrophobicContact CD1-CD1 3.97Å; F389-L435 HydrophobicContact CD2-CB 4.17Å; F389-L435 HydrophobicContact CD2-CD1 4.38Å; F389-L435 HydrophobicContact CE1-CD1 3.78Å; F389-L435 HydrophobicContact CE2-CB 3.57Å; F389-L435 HydrophobicContact CE2-CD1 4.21Å; F389-L435 HydrophobicContact CE2-CG 4.44Å; F389-L435 HydrophobicContact CG-CD1 4.28Å; F389-L435 HydrophobicContact CZ-CB 3.78Å; F389-L435 HydrophobicContact CZ-CD1 3.91Å; F389-L435 HydrophobicContact CZ-CD2 4.34Å; F389-L435 HydrophobicContact CZ-CG 4.23Å; A426-L435 HydrophobicContact CB-CD1 4.28Å; E431-L435 WeakPolarHBondContact O-CB 3.3Å; E431-L435 WeakPolarHBondContact O-CD1 3.38Å; E431-L435 WeakPolarHBondContact O-CG 3.49Å; E431-L435 PolarHBondContact O-N 2.95Å; V432-L435 PolarHBondContact O-N 3.12Å; D433-L435 VanDerWaalsContact C-N 3.29Å; D433-L435 PolarHBondContact O-N 3Å; L435-L439 VanDerWaalsContact O-CB 3.24Å; L435-L439 WeakPolarHBondContact O-CB 3.38Å; L435-L439 PolarHBondContact O-N 3.1Å; L435-I494 HydrophobicContact CD2-CG2 3.97Å; L435-V555 HydrophobicContact CD2-CG1 4.49Å
436	I	96.7	Very high	95.6	Very high	1 Å²	1	9.1 Å²	9.1	1%	0.005	6%	0.063	C	C	.	.	H	α-helix	trans	-74.8	-35.9	176.1	69.8	-172.8	0	0	0	112	V400 V432 D433 M438 L439 A440 L448 W454	V400-I436 HydrophobicContact CG2-CG2 3.89Å; V432-I436 HydrophobicContact CG1-CD1 4.32Å; V432-I436 HydrophobicContact CG1-CG2 3.98Å; V432-I436 WeakPolarHBondContact O-CG1 3.37Å; V432-I436 WeakPolarHBondContact O-CG2 3.46Å; V432-I436 PolarHBondContact O-N 3.27Å; D433-I436 WeakPolarHBondContact O-CG1 3.38Å; D433-I436 PolarHBondContact O-N 3.25Å; I436-M438 VanDerWaalsContact C-N 3.29Å; I436-M438 PolarHBondContact O-N 2.81Å; I436-L439 PolarHBondContact O-N 2.86Å; I436-A440 PolarHBondContact O-N 3.29Å; I436-L448 HydrophobicContact CB-CD1 4.48Å; I436-L448 HydrophobicContact CD1-CD1 3.88Å; I436-L448 HydrophobicContact CG1-CD1 3.91Å; I436-W454 HydrophobicContact CD1-CZ2 4.09Å
437	T	96.3	Very high	95.3	Very high	2 Å²	2	11.6 Å²	11.6	1%	0.012	7%	0.073	C	C	.	.	H	α-helix	trans	-55.7	-45.3	172	-72.4	0	0	0	0	111	L226 W232 D433 R441 R813	L226-T437 HydrophobicContact CD2-CG2 4.15Å; W232-T437 HydrophobicContact CE3-CG2 4.17Å; W232-T437 HydrophobicContact CH2-CG2 3.95Å; W232-T437 HydrophobicContact CZ3-CG2 3.71Å; D433-T437 WeakPolarHBondContact O-CB 3.49Å; D433-T437 PolarHBondContact O-N 2.85Å; D433-T437 PolarHBondContact O-OG1 2.92Å; D433-T437 PolarHBondContact OD1-OG1 2.86Å; T437-R441 WeakPolarHBondContact O-CG 3.44Å; T437-R813 PolarHBondContact OG1-NH2 2.88Å
438	M	97.6	Very high	95	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-76.6	-30.8	177.5	-67.2	-59.8	-85.8	0	0	113.2	L226 W229 W232 R233 A236 V434 I436 S442 I494 P554	L226-M438 HydrophobicContact CD2-SD 4.31Å; W229-M438 HydrophobicContact CD2-CE 4.36Å; W229-M438 HydrophobicContact CE3-CE 4.03Å; W229-M438 HydrophobicContact CE3-SD 4.07Å; W229-M438 HydrophobicContact CH2-CE 3.46Å; W229-M438 VanDerWaalsContact CH2-CE 3.46Å; W229-M438 HydrophobicContact CH2-SD 3.73Å; W229-M438 HydrophobicContact CZ2-CE 3.8Å; W229-M438 HydrophobicContact CZ3-CE 3.59Å; W229-M438 HydrophobicContact CZ3-SD 3.4Å; W229-M438 WeakPolarHBondContact CZ3-SD 3.36Å; W232-M438 HydrophobicContact CB-CE 3.94Å; W232-M438 HydrophobicContact CB-SD 3.76Å; W232-M438 HydrophobicContact CE3-SD 4.43Å; W232-M438 HydrophobicContact CG-SD 4.46Å; R233-M438 HydrophobicContact CB-CE 4.3Å; R233-M438 HydrophobicContact CG-CE 3.64Å; A236-M438 HydrophobicContact CB-CG 4.06Å; V434-M438 WeakPolarHBondContact O-CB 3.32Å; V434-M438 VanDerWaalsContact O-CG 3.26Å; V434-M438 WeakPolarHBondContact O-CG 3.46Å; V434-M438 PolarHBondContact O-N 3Å; V434-M438 VanDerWaalsContact O-N 3.08Å; I436-M438 VanDerWaalsContact C-N 3.29Å; I436-M438 PolarHBondContact O-N 2.81Å; M438-S442 WeakPolarHBondContact O-CB 3.35Å; M438-S442 PolarHBondContact O-N 2.66Å; M438-S442 PolarHBondContact O-OG 3.28Å; M438-I494 HydrophobicContact CB-CD1 4.1Å; M438-P554 HydrophobicContact CB-CB 4.08Å; M438-P554 HydrophobicContact CE-CB 3.91Å
439	L	97	Very high	94.7	Very high	16 Å²	16	10.8 Å²	10.8	8%	0.084	7%	0.067	C	C	.	.	H	α-helix	trans	-67.2	-57.3	176.6	-171	163.6	0	0	0	111.2	V400 L435 I436 R441 S442 A443 I494 C496	V400-L439 HydrophobicContact CG1-CD2 4.29Å; L435-L439 VanDerWaalsContact O-CB 3.24Å; L435-L439 WeakPolarHBondContact O-CB 3.38Å; L435-L439 PolarHBondContact O-N 3.1Å; I436-L439 PolarHBondContact O-N 2.86Å; L439-R441 PolarHBondContact O-N 2.71Å; L439-S442 PolarHBondContact O-N 2.73Å; L439-S442 VanDerWaalsContact O-N 3.14Å; L439-A443 HydrophobicContact CD2-CB 4.15Å; L439-A443 WeakPolarHBondContact O-CB 3.18Å; L439-A443 PolarHBondContact O-N 3.34Å; L439-I494 HydrophobicContact CB-CD1 4.03Å; L439-I494 WeakPolarHBondContact CD1-O 3.48Å; L439-C496 HydrophobicContact CG-CB 4.32Å
440	A	94.6	Very high	94.4	Very high	1 Å²	1	11 Å²	11	1%	0.008	7%	0.069	C	C	.	.	H	α-helix	trans	-60.1	-46.4	-173.3	0	0	0	0	0	112	I436 S442 A443 V444 G445 A446 T449	I436-A440 PolarHBondContact O-N 3.29Å; A440-S442 VanDerWaalsContact C-N 3.31Å; A440-S442 PolarHBondContact O-N 3.19Å; A440-A443 PolarHBondContact O-N 2.76Å; A440-V444 VanDerWaalsContact O-CG2 3.3Å; A440-V444 WeakPolarHBondContact O-CG2 3.38Å; A440-V444 PolarHBondContact O-N 2.91Å; A440-V444 VanDerWaalsContact O-N 3.08Å; A440-G445 PolarHBondContact O-N 2.98Å; A440-A446 CarbonylContact C-O 3.58Å; A440-A446 VanDerWaalsContact C-O 3.25Å; A440-T449 HydrophobicContact CB-CG2 4.24Å
441	R	95.1	Very high	94.2	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-63	-37	177.4	-66.8	-176.7	154.5	90.9	-11.4	112.2	R219 M222 E225 T437 L439 G445 A446 R447 E778	R219-R441 WeakPolarHBondContact CG-O 3.45Å; M222-R441 HydrophobicContact CB-CB 4.15Å; M222-R441 HydrophobicContact CB-CG 3.9Å; M222-R441 PolarHBondContact O-NE 2.87Å; E225-R441 IonicContact OE1-NH2 2.75Å; E225-R441 PolarHBondContact OE1-NH2 2.86Å; T437-R441 WeakPolarHBondContact O-CG 3.44Å; L439-R441 PolarHBondContact O-N 2.71Å; R441-G445 WeakPolarHBondContact O-CA 3.47Å; R441-G445 PolarHBondContact O-N 2.7Å; R441-A446 WeakPolarHBondContact CA-O 3.18Å; R441-A446 VanDerWaalsContact CG-O 3.24Å; R441-A446 WeakPolarHBondContact CG-O 3.48Å; R441-A446 PolarHBondContact N-O 2.79Å; R441-A446 VanDerWaalsContact N-O 3.11Å; R441-R447 PolarHBondContact NH1-O 3.22Å; R441-E778 IonicContact CZ-OE1 3.6Å; R441-E778 IonicContact NH1-OE1 3.68Å; R441-E778 PolarHBondContact NH1-OE1 3.17Å; R441-E778 IonicContact NH2-OE1 2.87Å; R441-E778 PolarHBondContact NH2-OE1 3.34Å
442	S	95.6	Very high	94.2	Very high	1 Å²	1	9 Å²	9	1%	0.007	6%	0.055	C	C	.	.	H	α-helix	trans	-79.8	-27.9	179.2	-62.1	0	0	0	0	114.7	M438 L439 A440 P554	M438-S442 WeakPolarHBondContact O-CB 3.35Å; M438-S442 PolarHBondContact O-N 2.66Å; M438-S442 PolarHBondContact O-OG 3.28Å; L439-S442 PolarHBondContact O-N 2.73Å; L439-S442 VanDerWaalsContact O-N 3.14Å; A440-S442 VanDerWaalsContact C-N 3.31Å; A440-S442 PolarHBondContact O-N 3.19Å; S442-P554 WeakPolarHBondContact OG-CG 3.33Å
443	A	92.5	Very high	94.2	Very high	5 Å²	5	9.1 Å²	9.1	4%	0.041	6%	0.056	C	C	.	.	H	α-helix	trans	-94.8	-45.1	-171	0	0	0	0	0	114.1	I215 V335 L439 A440 C496	I215-A443 WeakPolarHBondContact CG2-O 3.5Å; V335-A443 HydrophobicContact CG2-CB 4.01Å; L439-A443 HydrophobicContact CD2-CB 4.15Å; L439-A443 WeakPolarHBondContact O-CB 3.18Å; L439-A443 PolarHBondContact O-N 3.34Å; A440-A443 PolarHBondContact O-N 2.76Å; A443-C496 WeakPolarHBondContact CA-O 3.34Å; A443-C496 HydrophobicContact CB-CB 4.05Å; A443-C496 WeakPolarHBondContact CB-O 3.37Å
444	V	88.3	Confident	94.2	Very high	39 Å²	39	9.1 Å²	9.1	24%	0.236	6%	0.056	C	C	.	.	T	Hydrogen-bonded Turn	trans	-124.3	-10.7	-175.6	-66.9	0	0	0	0	113	V335 A440 A446	V335-V444 HydrophobicContact CG1-CG1 3.73Å; A440-V444 VanDerWaalsContact O-CG2 3.3Å; A440-V444 WeakPolarHBondContact O-CG2 3.38Å; A440-V444 PolarHBondContact O-N 2.91Å; A440-V444 VanDerWaalsContact O-N 3.08Å; V444-A446 HydrophobicContact CG2-CB 3.98Å
445	G	90.7	Very high	94.3	Very high	12 Å²	12	9 Å²	9	12%	0.124	6%	0.055	C	C	.	.	S	Bend	trans	69.9	44.1	-176.2	0	0	0	0	0	112.3	M222 A440 R441	M222-G445 VanDerWaalsContact CG-C 3.42Å; M222-G445 WeakPolarHBondContact CG-O 3.48Å; A440-G445 PolarHBondContact O-N 2.98Å; R441-G445 WeakPolarHBondContact O-CA 3.47Å; R441-G445 PolarHBondContact O-N 2.7Å
446	A	89.4	Confident	94.2	Very high	33 Å²	33	9 Å²	9	27%	0.273	6%	0.055	S	C	.	.	S	Bend	trans	-126.1	157.4	171.7	0	0	0	0	0	110.7	A440 R441 V444 L448	A440-A446 CarbonylContact C-O 3.58Å; A440-A446 VanDerWaalsContact C-O 3.25Å; R441-A446 WeakPolarHBondContact CA-O 3.18Å; R441-A446 VanDerWaalsContact CG-O 3.24Å; R441-A446 WeakPolarHBondContact CG-O 3.48Å; R441-A446 PolarHBondContact N-O 2.79Å; R441-A446 VanDerWaalsContact N-O 3.11Å; V444-A446 HydrophobicContact CG2-CB 3.98Å; A446-L448 VanDerWaalsContact C-N 3.29Å; A446-L448 WeakPolarHBondContact CB-O 3.37Å; A446-L448 PolarHBondContact O-N 2.78Å
447	R	92.2	Very high	94.1	Very high	51 Å²	51	9 Å²	9	19%	0.192	6%	0.056	C	C	.	.	S	Bend	trans	-61.3	-39.9	176.8	-62.4	-173.6	179.1	168.2	4	112.2	M222 E225 R441 F691 E778	M222-R447 HydrophobicContact SD-CG 3.76Å; E225-R447 VanDerWaalsContact CD-NH2 3.35Å; E225-R447 IonicContact OE1-CZ 3.36Å; E225-R447 IonicContact OE1-NE 3.89Å; E225-R447 PolarHBondContact OE1-NE 3Å; E225-R447 IonicContact OE1-NH2 3.78Å; E225-R447 IonicContact OE2-CZ 3.84Å; E225-R447 IonicContact OE2-NE 2.74Å; E225-R447 PolarHBondContact OE2-NE 3.48Å; E225-R447 IonicContact OE2-NH2 3.67Å; E225-R447 PolarHBondContact OE2-NH2 3.33Å; R441-R447 PolarHBondContact NH1-O 3.22Å; R447-F691 HydrophobicContact CB-CZ 4.48Å; R447-F691 HydrophobicContact CG-CE2 4.28Å; R447-F691 HydrophobicContact CG-CZ 4.06Å; R447-E778 WeakPolarHBondContact CD-O 3.48Å; R447-E778 PolarHBondContact NH1-O 3.12Å
448	L	91.9	Very high	94.2	Very high	12 Å²	12	9.6 Å²	9.6	6%	0.063	6%	0.059	C	C	.	.	S	Bend	trans	-150.1	163.6	176.2	-159.6	68.1	0	0	0	108.7	I436 A446 N452 V814 I837	I436-L448 HydrophobicContact CB-CD1 4.48Å; I436-L448 HydrophobicContact CD1-CD1 3.88Å; I436-L448 HydrophobicContact CG1-CD1 3.91Å; A446-L448 VanDerWaalsContact C-N 3.29Å; A446-L448 WeakPolarHBondContact CB-O 3.37Å; A446-L448 PolarHBondContact O-N 2.78Å; L448-N452 WeakPolarHBondContact CG-ND2 3.25Å; L448-V814 HydrophobicContact CD2-CG2 4.48Å; L448-I837 HydrophobicContact CD2-CG2 3.9Å
449	T	91.1	Very high	94.1	Very high	7 Å²	7	12.8 Å²	12.8	4%	0.043	7%	0.071	C	C	.	.			trans	-81.4	166.1	172.6	54.6	0	0	0	0	112.3	V400 T401 N402 A440 Y451 N452 S839	V400-T449 HydrophobicContact CG1-CG2 3.7Å; V400-T449 VanDerWaalsContact CG1-OG1 3.25Å; V400-T449 WeakPolarHBondContact CG1-OG1 3.12Å; T401-T449 WeakPolarHBondContact O-CB 3.4Å; T401-T449 PolarHBondContact O-OG1 3.4Å; N402-T449 WeakPolarHBondContact OD1-CA 3.21Å; N402-T449 WeakPolarHBondContact OD1-CB 3.37Å; A440-T449 HydrophobicContact CB-CG2 4.24Å; T449-Y451 VanDerWaalsContact C-N 3.26Å; T449-Y451 PolarHBondContact O-N 3.28Å; T449-Y451 PolarHBondContact OG1-O 2.82Å; T449-N452 PolarHBondContact OG1-ND2 3.4Å; T449-S839 PolarHBondContact O-OG 2.88Å
450	G	89.9	Confident	93.9	Very high	4 Å²	4	14.5 Å²	14.5	4%	0.041	8%	0.079	C	C	.	.	S	Bend	trans	-52.4	-41.9	179.8	0	0	0	0	0	113.7	T401 N402 S839	T401-G450 PolarHBondContact O-N 2.78Å; N402-G450 PolarHBondContact OD1-N 2.86Å; G450-S839 VanDerWaalsContact CA-OG 3.24Å; G450-S839 WeakPolarHBondContact CA-OG 3.5Å; G450-S839 PolarHBondContact O-N 3.15Å; G450-S839 PolarHBondContact O-OG 2.94Å
451	Y	93.7	Very high	93.7	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	135.6	177.4	-56.5	-76.3	0	0	0	111.3	T401 N402 G404 T449 I837 I838 S842	T401-Y451 PolarHBondContact N-O 3.08Å; T401-Y451 PolarHBondContact O-N 3.35Å; N402-Y451 WeakPolarHBondContact O-CE2 3.38Å; G404-Y451 VanDerWaalsContact CA-CD2 3.47Å; G404-Y451 VanDerWaalsContact CA-CE2 3.47Å; G404-Y451 VanDerWaalsContact N-CD2 3.33Å; T449-Y451 VanDerWaalsContact C-N 3.26Å; T449-Y451 PolarHBondContact O-N 3.28Å; T449-Y451 PolarHBondContact OG1-O 2.82Å; Y451-I837 WeakPolarHBondContact CA-O 3.38Å; Y451-I838 HydrophobicContact CD1-CB 4.46Å; Y451-I838 HydrophobicContact CD1-CG1 4.01Å; Y451-I838 HydrophobicContact CD1-CG2 4.21Å; Y451-I838 HydrophobicContact CE1-CB 4.44Å; Y451-I838 HydrophobicContact CE1-CD1 4.44Å; Y451-I838 HydrophobicContact CE1-CG1 4.14Å; Y451-I838 HydrophobicContact CE1-CG2 3.76Å; Y451-S842 WeakPolarHBondContact OH-CA 3.22Å; Y451-S842 PolarHBondContact OH-N 2.92Å
452	N	96.2	Very high	93.6	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	116.3	160.6	-68.9	-107.9	0	0	0	107.2	L399 V400 L448 T449 I837	L399-N452 CarbonylContact O-C 3.26Å; L399-N452 WeakPolarHBondContact O-CA 3.41Å; V400-N452 WeakPolarHBondContact CG2-OD1 3.15Å; L448-N452 WeakPolarHBondContact CG-ND2 3.25Å; T449-N452 PolarHBondContact OG1-ND2 3.4Å; N452-I837 HydrophobicContact CB-CB 4.22Å; N452-I837 HydrophobicContact CB-CD1 4.47Å; N452-I837 PolarHBondContact N-O 2.9Å; N452-I837 PolarHBondContact O-N 3.02Å
453	T	97	Very high	93.5	Very high	3 Å²	3	22.7 Å²	22.7	2%	0.018	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	117.6	-169.8	-66.2	0	0	0	0	108.6	L399 R407 L455 I835 N836	L399-T453 PolarHBondContact N-O 3.24Å; L399-T453 PolarHBondContact O-N 3.07Å; R407-T453 HydrophobicContact CG-CG2 4.25Å; R407-T453 WeakPolarHBondContact CG-OG1 3.48Å; T453-L455 HydrophobicContact CG2-CD1 4.44Å; T453-L455 HydrophobicContact CG2-CD2 3.99Å; T453-L455 HydrophobicContact CG2-CG 4.02Å; T453-I835 WeakPolarHBondContact CA-O 3.42Å; T453-N836 WeakPolarHBondContact CB-OD1 3.4Å; T453-N836 WeakPolarHBondContact CG2-OD1 3.46Å; T453-N836 PolarHBondContact OG1-OD1 2.79Å
454	W	97.8	Very high	93.5	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	114.7	-176	-50.8	-21	0	0	0	108.7	V397 C398 F429 V432 I436 V814 L817 L821 C834 I835 I837	V397-W454 CarbonylContact O-C 3.58Å; V397-W454 WeakPolarHBondContact O-CA 3.25Å; C398-W454 HydrophobicContact CB-CG 4.34Å; F429-W454 HydrophobicContact CB-CZ3 4.47Å; F429-W454 AromaticContact CD1-CD2 3.88Å; F429-W454 HydrophobicContact CD1-CD2 3.88Å; F429-W454 AromaticContact CD1-CE3 3.41Å; F429-W454 HydrophobicContact CD1-CE3 3.41Å; F429-W454 VanDerWaalsContact CD1-CE3 3.41Å; F429-W454 AromaticContact CD1-CH2 3.99Å; F429-W454 HydrophobicContact CD1-CH2 3.99Å; F429-W454 HydrophobicContact CD1-CZ2 4.42Å; F429-W454 AromaticContact CD1-CZ3 3.48Å; F429-W454 HydrophobicContact CD1-CZ3 3.48Å; F429-W454 VanDerWaalsContact CD1-CZ3 3.48Å; F429-W454 HydrophobicContact CE1-CB 4.03Å; F429-W454 AromaticContact CE1-CD2 3.6Å; F429-W454 HydrophobicContact CE1-CD2 3.6Å; F429-W454 AromaticContact CE1-CE3 3.26Å; F429-W454 HydrophobicContact CE1-CE3 3.26Å; F429-W454 AromaticContact CE1-CG 3.98Å; F429-W454 HydrophobicContact CE1-CG 3.98Å; F429-W454 AromaticContact CE1-CZ3 3.86Å; F429-W454 HydrophobicContact CE1-CZ3 3.86Å; F429-W454 HydrophobicContact CG-CE3 4.31Å; F429-W454 HydrophobicContact CG-CZ3 4.07Å; F429-W454 HydrophobicContact CZ-CE3 4.06Å; V432-W454 HydrophobicContact CG1-CZ2 3.98Å; I436-W454 HydrophobicContact CD1-CZ2 4.09Å; W454-V814 HydrophobicContact CH2-CG1 3.63Å; W454-V814 HydrophobicContact CZ2-CG1 4.08Å; W454-L817 HydrophobicContact CH2-CD2 4.31Å; W454-L817 HydrophobicContact CZ3-CD2 4.07Å; W454-L821 HydrophobicContact CE3-CD1 4.09Å; W454-L821 HydrophobicContact CZ3-CD1 3.65Å; W454-C834 WeakPolarHBondContact O-CA 3.44Å; W454-I835 HydrophobicContact CB-CB 4.28Å; W454-I835 HydrophobicContact CE3-CB 4.42Å; W454-I835 HydrophobicContact CE3-CD1 4.42Å; W454-I835 HydrophobicContact CE3-CG2 4.05Å; W454-I835 PolarHBondContact N-O 2.9Å; W454-I835 PolarHBondContact O-N 2.81Å; W454-I837 HydrophobicContact CH2-CD1 3.8Å; W454-I837 HydrophobicContact CZ2-CD1 3.74Å; W454-I837 HydrophobicContact CZ3-CD1 4.38Å
455	L	98	Very high	93.8	Very high	3 Å²	3	21.5 Å²	21.5	2%	0.016	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	127.9	-168.6	-63.5	163.5	0	0	0	110.4	S396 V397 L399 T410 T453 S833 C834	S396-L455 CarbonylContact C-O 3.58Å; S396-L455 WeakPolarHBondContact CA-O 3.4Å; V397-L455 PolarHBondContact N-O 3.12Å; V397-L455 PolarHBondContact O-N 3.46Å; L399-L455 HydrophobicContact CD1-CD1 3.72Å; L399-L455 HydrophobicContact CG-CD1 4.42Å; T410-L455 HydrophobicContact CG2-CD1 3.57Å; T453-L455 HydrophobicContact CG2-CD1 4.44Å; T453-L455 HydrophobicContact CG2-CD2 3.99Å; T453-L455 HydrophobicContact CG2-CG 4.02Å; L455-S833 WeakPolarHBondContact CA-O 3.34Å; L455-C834 HydrophobicContact CD2-CB 3.89Å; L455-C834 VanDerWaalsContact CD2-SG 3.56Å
456	T	97.6	Very high	94	Very high	0 Å²	0	21 Å²	21	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	87.2	-176.7	-49.2	0	0	0	0	109.7	N261 S396 R830 M831 P832 S833	N261-T456 HydrophobicContact CB-CG2 4.48Å; N261-T456 VanDerWaalsContact ND2-CG2 3.31Å; N261-T456 WeakPolarHBondContact ND2-CG2 3.34Å; S396-T456 PolarHBondContact OG-OG1 3.31Å; T456-R830 PolarHBondContact O-NH1 3.43Å; T456-R830 PolarHBondContact O-NH2 3.42Å; T456-M831 HydrophobicContact CG2-CB 3.97Å; T456-M831 WeakPolarHBondContact OG1-CB 3.31Å; T456-P832 WeakPolarHBondContact CB-O 3.31Å; T456-P832 PolarHBondContact OG1-O 3.31Å; T456-P832 VanDerWaalsContact OG1-O 3.11Å; T456-S833 PolarHBondContact N-O 3.34Å
457	G	94.8	Very high	94.4	Very high	1 Å²	1	19.6 Å²	19.6	1%	0.01	12%	0.123	C	C	.	.	S	Bend	trans	66.3	-158.9	-177.9	0	0	0	0	0	114
458	P	97.1	Very high	94.6	Very high	14 Å²	14	21 Å²	21	9%	0.091	13%	0.132	C	C	.	.	S	Bend	trans	-67.6	176.4	170.1	32.5	-36.7	0	0	0	111.7	G262 P467 F470 S833	G262-P458 WeakPolarHBondContact O-CG 3.5Å; P458-P467 WeakPolarHBondContact CB-O 3.23Å; P458-F470 HydrophobicContact CB-CB 4.3Å; P458-S833 VanDerWaalsContact O-CB 3.22Å; P458-S833 WeakPolarHBondContact O-CB 3.44Å
459	R	95.1	Very high	94.8	Very high	66 Å²	66	22.9 Å²	22.9	25%	0.249	14%	0.14	C	C	.	.	P	Polyproline II helix	trans	-64.8	153.4	170.1	81.2	-177.6	-174.8	-143.4	2.4	111.1	H463 V464 D465 G466 P467 E468	R459-H463 HydrophobicContact CB-CB 3.83Å; R459-H463 VanDerWaalsContact CD-O 3.24Å; R459-H463 WeakPolarHBondContact CD-O 3.24Å; R459-H463 HydrophobicContact CG-CB 4.01Å; R459-H463 PolarHBondContact NE-O 3.39Å; R459-V464 PolarHBondContact NH1-O 3.38Å; R459-D465 WeakPolarHBondContact CB-O 3.42Å; R459-D465 VanDerWaalsContact CD-O 3.23Å; R459-D465 WeakPolarHBondContact CD-O 3.38Å; R459-G466 WeakPolarHBondContact CD-O 3.1Å; R459-G466 PolarHBondContact NH1-O 2.7Å; R459-G466 VanDerWaalsContact NH1-O 3.14Å; R459-P467 WeakPolarHBondContact CG-O 3.42Å; R459-P467 PolarHBondContact N-O 2.67Å; R459-E468 IonicContact CZ-OE1 2.88Å; R459-E468 IonicContact NH1-OE1 3.86Å; R459-E468 PolarHBondContact NH1-OE1 3.06Å; R459-E468 VanDerWaalsContact NH2-CG 3.32Å; R459-E468 IonicContact NH2-OE1 2.88Å; R459-E468 PolarHBondContact NH2-OE1 3.06Å
460	E	94.3	Very high	95.2	Very high	52 Å²	52	22.6 Å²	22.6	24%	0.243	14%	0.139	C	C	.	.	P	Polyproline II helix	trans	-87.4	169.3	-179.3	-68.9	144.8	-67.6	0	0	111.6	G462 H463 R830 S833	E460-G462 PolarHBondContact O-N 3.32Å; E460-H463 VanDerWaalsContact O-CB 3.26Å; E460-H463 WeakPolarHBondContact O-CB 3.24Å; E460-H463 PolarHBondContact O-N 2.93Å; E460-H463 IonicContact OE1-CE1 3.85Å; E460-H463 PolarHBondContact OE1-CE1 3.25Å; E460-H463 IonicContact OE1-ND1 2.79Å; E460-H463 IonicContact OE1-NE2 3.63Å; E460-R830 IonicContact OE1-NH1 3.62Å; E460-R830 IonicContact OE2-CZ 3.38Å; E460-R830 IonicContact OE2-NE 2.74Å; E460-R830 IonicContact OE2-NH1 2.68Å; E460-R830 PolarHBondContact OE2-NH1 2.93Å; E460-S833 WeakPolarHBondContact OE1-CA 3.49Å; E460-S833 WeakPolarHBondContact OE1-CB 3.48Å; E460-S833 PolarHBondContact OE1-N 3.07Å; E460-S833 PolarHBondContact OE1-OG 3.25Å
461	A	89.9	Confident	95.6	Very high	103 Å²	103	22.4 Å²	22.4	85%	0.851	14%	0.137	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59	138.3	178.9	0	0	0	0	0	111.2	H463	A461-H463 PolarHBondContact O-N 3.38Å
462	G	91.7	Very high	95.8	Very high	51 Å²	51	22.4 Å²	22.4	53%	0.526	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.7	-8.4	-174.1	0	0	0	0	0	115.2	E460 V464 A788	E460-G462 PolarHBondContact O-N 3.32Å; G462-V464 PolarHBondContact O-N 2.91Å; G462-A788 WeakPolarHBondContact O-CB 3.3Å
463	H	94.3	Very high	95.9	Very high	21 Å²	21	22.4 Å²	22.4	10%	0.097	14%	0.137	C	C	.	.			trans	-72	126.5	173.2	-67.8	-157.6	0	0	0	109.5	R459 E460 A461 A787 A788 S833	R459-H463 HydrophobicContact CB-CB 3.83Å; R459-H463 VanDerWaalsContact CD-O 3.24Å; R459-H463 WeakPolarHBondContact CD-O 3.24Å; R459-H463 HydrophobicContact CG-CB 4.01Å; R459-H463 PolarHBondContact NE-O 3.39Å; E460-H463 VanDerWaalsContact O-CB 3.26Å; E460-H463 WeakPolarHBondContact O-CB 3.24Å; E460-H463 PolarHBondContact O-N 2.93Å; E460-H463 IonicContact OE1-CE1 3.85Å; E460-H463 PolarHBondContact OE1-CE1 3.25Å; E460-H463 IonicContact OE1-ND1 2.79Å; E460-H463 IonicContact OE1-NE2 3.63Å; A461-H463 PolarHBondContact O-N 3.38Å; H463-A787 WeakPolarHBondContact NE2-CA 3.41Å; H463-A788 PolarHBondContact CD2-N 3.14Å; H463-A788 VanDerWaalsContact CD2-N 3.26Å; H463-A788 PolarHBondContact NE2-N 3.36Å; H463-S833 PolarHBondContact CE1-OG 2.9Å; H463-S833 PolarHBondContact ND1-OG 3.19Å
464	V	92	Very high	96	Very high	15 Å²	15	22.2 Å²	22.2	9%	0.091	14%	0.136	C	C	.	.			trans	-76.2	-36.6	178.5	168.7	0	0	0	0	111.8	R459 G462 W750 P752 G755 N758 I759	R459-V464 PolarHBondContact NH1-O 3.38Å; G462-V464 PolarHBondContact O-N 2.91Å; V464-W750 HydrophobicContact CB-CZ2 3.81Å; V464-W750 HydrophobicContact CG1-CH2 4.29Å; V464-W750 HydrophobicContact CG1-CZ2 4.04Å; V464-W750 HydrophobicContact CG2-CZ2 4.47Å; V464-P752 HydrophobicContact CG2-CB 4.37Å; V464-G755 WeakPolarHBondContact CG1-O 3.35Å; V464-N758 HydrophobicContact CG1-CB 4.44Å; V464-I759 HydrophobicContact CG1-CD1 4.1Å; V464-I759 HydrophobicContact CG1-CG1 3.94Å
465	D	94.6	Very high	95.9	Very high	4 Å²	4	22.2 Å²	22.2	2%	0.021	14%	0.136	C	C	.	.	S	Bend	trans	-122.1	168.6	-174.9	70	15.4	0	0	0	113.8	T411 R459 W750 I759 R792 S793	T411-D465 HydrophobicContact CG2-CB 4.11Å; R459-D465 WeakPolarHBondContact CB-O 3.42Å; R459-D465 VanDerWaalsContact CD-O 3.23Å; R459-D465 WeakPolarHBondContact CD-O 3.38Å; D465-W750 WeakPolarHBondContact OD2-CH2 3.49Å; D465-I759 HydrophobicContact CB-CD1 4.14Å; D465-R792 VanDerWaalsContact CG-N 3.34Å; D465-R792 WeakPolarHBondContact OD1-CB 3.2Å; D465-R792 WeakPolarHBondContact OD1-CD 3.36Å; D465-R792 VanDerWaalsContact OD1-CG 3.24Å; D465-R792 WeakPolarHBondContact OD1-CG 3.3Å; D465-R792 PolarHBondContact OD1-N 2.88Å; D465-R792 PolarHBondContact OD2-N 2.81Å; D465-S793 VanDerWaalsContact OD2-CB 3.22Å; D465-S793 WeakPolarHBondContact OD2-CB 3.42Å; D465-S793 PolarHBondContact OD2-N 3.34Å; D465-S793 PolarHBondContact OD2-OG 3.28Å
466	G	95.7	Very high	95.8	Very high	2 Å²	2	22.5 Å²	22.5	2%	0.021	14%	0.137	C	C	.	.	S	Bend	trans	88.6	170.3	-162.3	0	0	0	0	0	113.1	T411 R459	T411-G466 WeakPolarHBondContact O-CA 3.43Å; T411-G466 PolarHBondContact O-N 3.35Å; R459-G466 WeakPolarHBondContact CD-O 3.1Å; R459-G466 PolarHBondContact NH1-O 2.7Å; R459-G466 VanDerWaalsContact NH1-O 3.14Å
467	P	96.9	Very high	95.7	Very high	2 Å²	2	23.9 Å²	23.9	1%	0.013	14%	0.144	C	C	.	.			trans	-72.7	139.2	-176.2	30.1	-35	0	0	0	111.8	K414 H416 P458 R459	K414-P467 CarbonylContact O-C 3.55Å; K414-P467 WeakPolarHBondContact O-CA 3.23Å; H416-P467 HydrophobicContact CB-CB 3.67Å; H416-P467 HydrophobicContact CB-CG 3.68Å; P458-P467 WeakPolarHBondContact CB-O 3.23Å; R459-P467 WeakPolarHBondContact CG-O 3.42Å; R459-P467 PolarHBondContact N-O 2.67Å
468	E	96.7	Very high	95.6	Very high	82 Å²	82	24.7 Å²	24.7	38%	0.383	15%	0.153	S	C	.	.	S	Bend	trans	-74.4	-30.7	170.6	-68.5	167	-179.9	0	0	111.2	K414 R459	K414-E468 IonicContact NZ-OE1 2.9Å; K414-E468 PolarHBondContact NZ-OE1 2.87Å; K414-E468 IonicContact NZ-OE2 3.09Å; K414-E468 PolarHBondContact NZ-OE2 3.19Å; K414-E468 WeakPolarHBondContact O-CB 3.28Å; K414-E468 PolarHBondContact O-N 3.02Å; R459-E468 IonicContact CZ-OE1 2.88Å; R459-E468 IonicContact NH1-OE1 3.86Å; R459-E468 PolarHBondContact NH1-OE1 3.06Å; R459-E468 VanDerWaalsContact NH2-CG 3.32Å; R459-E468 IonicContact NH2-OE1 2.88Å; R459-E468 PolarHBondContact NH2-OE1 3.06Å
469	E	97.5	Very high	95.6	Very high	50 Å²	50	24.1 Å²	24.1	23%	0.234	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	136.2	176.7	-167.3	173.6	144.8	0	0	110.6	H264 K285 K414 T415 H416 H471	H264-E469 IonicContact CD2-OE1 2.63Å; H264-E469 IonicContact NE2-OE1 3.85Å; K285-E469 WeakPolarHBondContact CE-OE2 3.4Å; K285-E469 IonicContact NZ-OE2 3.82Å; K285-E469 PolarHBondContact NZ-OE2 3.03Å; K414-E469 PolarHBondContact O-N 3.11Å; T415-E469 WeakPolarHBondContact CA-O 3.44Å; T415-E469 HydrophobicContact CG2-CB 4.39Å; H416-E469 PolarHBondContact N-O 3.39Å; E469-H471 IonicContact OE1-CE1 3.22Å; E469-H471 PolarHBondContact OE1-CE1 2.87Å; E469-H471 IonicContact OE1-NE2 3.67Å; E469-H471 PolarHBondContact OE1-NE2 2.78Å
470	F	98.5	Very high	95.6	Very high	1 Å²	1	22 Å²	22	0%	0.004	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	135.4	-177.7	170.8	-112	0	0	0	111.1	V258 H264 V397 H416 A418 P458 L472	V258-F470 HydrophobicContact CG1-CD1 4.11Å; V258-F470 HydrophobicContact CG1-CE1 3.77Å; H264-F470 PolarHBondContact N-O 2.86Å; V397-F470 HydrophobicContact CG2-CZ 3.88Å; H416-F470 HydrophobicContact CB-CD2 4.17Å; H416-F470 AromaticContact CE1-CE2 3.7Å; H416-F470 AromaticContact CG-CD2 3.94Å; H416-F470 AromaticContact ND1-CD2 3.39Å; H416-F470 WeakPolarHBondContact ND1-CD2 3.23Å; H416-F470 AromaticContact ND1-CE2 3.49Å; H416-F470 WeakPolarHBondContact ND1-CE2 3.38Å; H416-F470 CarbonylContact O-C 3.6Å; H416-F470 WeakPolarHBondContact O-CA 3.46Å; A418-F470 HydrophobicContact CB-CE2 3.83Å; A418-F470 HydrophobicContact CB-CZ 4.14Å; P458-F470 HydrophobicContact CB-CB 4.3Å; F470-L472 HydrophobicContact CE1-CB 4.18Å; F470-L472 HydrophobicContact CZ-CB 4.05Å
471	H	98.5	Very high	95.6	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	133	175.6	-50.3	-97.6	0	0	0	110.9	H264 Y277 V281 H416 I417 A418 E469	H264-H471 AromaticContact CD2-CE1 3.74Å; H264-H471 AromaticContact CD2-ND1 3.9Å; H264-H471 CarbonylContact O-C 3.56Å; H264-H471 WeakPolarHBondContact O-CA 3.24Å; Y277-H471 HydrophobicContact CE1-CB 4.26Å; Y277-H471 AromaticContact CE1-ND1 4Å; Y277-H471 AromaticContact CZ-ND1 3.87Å; Y277-H471 PolarHBondContact OH-ND1 3.5Å; V281-H471 WeakPolarHBondContact CG1-NE2 3.39Å; H416-H471 PolarHBondContact O-N 3.21Å; I417-H471 CarbonylContact C-O 3.56Å; I417-H471 WeakPolarHBondContact CA-O 3.35Å; I417-H471 HydrophobicContact CG1-CB 4.28Å; I417-H471 HydrophobicContact CG2-CB 4.27Å; A418-H471 PolarHBondContact N-O 2.74Å; E469-H471 IonicContact OE1-CE1 3.22Å; E469-H471 PolarHBondContact OE1-CE1 2.87Å; E469-H471 IonicContact OE1-NE2 3.67Å; E469-H471 PolarHBondContact OE1-NE2 2.78Å
472	L	98.6	Very high	95.9	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	112.3	167.5	-177.9	62.2	0	0	0	109.9	L254 V258 H264 V265 Y266 V397 A418 M420 F470 I474	L254-L472 HydrophobicContact CD1-CD2 4.35Å; L254-L472 HydrophobicContact CD2-CD2 4.05Å; L254-L472 HydrophobicContact CG-CD2 4.14Å; V258-L472 HydrophobicContact CG1-CB 4.47Å; V258-L472 HydrophobicContact CG2-CD2 3.98Å; H264-L472 PolarHBondContact O-N 3.5Å; V265-L472 WeakPolarHBondContact CA-O 3.35Å; Y266-L472 PolarHBondContact N-O 2.98Å; V397-L472 HydrophobicContact CG2-CD1 4.03Å; A418-L472 HydrophobicContact CB-CD1 4Å; M420-L472 HydrophobicContact CG-CD1 4.2Å; M420-L472 HydrophobicContact SD-CD1 4.03Å; M420-L472 HydrophobicContact SD-CD2 4.38Å; F470-L472 HydrophobicContact CE1-CB 4.18Å; F470-L472 HydrophobicContact CZ-CB 4.05Å; L472-I474 HydrophobicContact CD2-CD1 4.03Å; L472-I474 HydrophobicContact CD2-CG1 4.11Å; L472-I474 HydrophobicContact CG-CD1 4.32Å; L472-I474 HydrophobicContact CG-CG1 3.89Å
473	V	98.2	Very high	96.2	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	111.6	176	-179.8	0	0	0	0	109	Y266 A268 A274 Y277 I278 I417 A418 V419 M420 V475	Y266-V473 HydrophobicContact CD1-CG1 4.44Å; Y266-V473 WeakPolarHBondContact O-CA 3.39Å; A268-V473 HydrophobicContact CB-CG1 4.39Å; A274-V473 HydrophobicContact CB-CG1 3.93Å; Y277-V473 HydrophobicContact CD1-CG2 3.78Å; Y277-V473 HydrophobicContact CE1-CG2 4.01Å; I278-V473 HydrophobicContact CD1-CG2 4.4Å; I278-V473 HydrophobicContact CG1-CG2 4.06Å; I417-V473 HydrophobicContact CG2-CG2 3.86Å; A418-V473 PolarHBondContact O-N 2.92Å; V419-V473 HydrophobicContact CG1-CB 4.41Å; V419-V473 HydrophobicContact CG1-CG1 4.39Å; V419-V473 HydrophobicContact CG2-CB 4.33Å; M420-V473 PolarHBondContact N-O 3.21Å; V473-V475 HydrophobicContact CG1-CG2 4.11Å
474	I	98.3	Very high	96.2	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	111.3	-176.7	-57.1	175.5	0	0	0	109.5	L251 L254 V265 Y266 F267 A268 M420 M422 L472 F645	L251-I474 HydrophobicContact CD2-CD1 4.15Å; L251-I474 HydrophobicContact CD2-CG2 3.74Å; L254-I474 HydrophobicContact CD2-CD1 4.45Å; V265-I474 HydrophobicContact CG1-CD1 3.74Å; V265-I474 HydrophobicContact CG1-CG1 4.4Å; Y266-I474 PolarHBondContact O-N 3Å; F267-I474 HydrophobicContact CD1-CB 4.14Å; F267-I474 HydrophobicContact CD1-CD1 4.35Å; F267-I474 HydrophobicContact CD1-CG2 4.23Å; F267-I474 HydrophobicContact CE1-CB 4.39Å; F267-I474 HydrophobicContact CE1-CD1 3.81Å; F267-I474 HydrophobicContact CE1-CG2 4.33Å; F267-I474 HydrophobicContact CZ-CD1 3.95Å; A268-I474 PolarHBondContact N-O 2.9Å; M420-I474 HydrophobicContact CE-CD1 4.29Å; M420-I474 HydrophobicContact CE-CG1 4.09Å; M420-I474 HydrophobicContact CE-CG2 4.07Å; M420-I474 HydrophobicContact CG-CG1 4.13Å; M420-I474 HydrophobicContact CG-CG2 4.49Å; M420-I474 HydrophobicContact SD-CG1 4.37Å; M422-I474 HydrophobicContact CB-CG2 3.77Å; L472-I474 HydrophobicContact CD2-CD1 4.03Å; L472-I474 HydrophobicContact CD2-CG1 4.11Å; L472-I474 HydrophobicContact CG-CD1 4.32Å; L472-I474 HydrophobicContact CG-CG1 3.89Å; I474-F645 HydrophobicContact CG2-CZ 4.25Å
475	V	97	Very high	96.3	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	123	-171	-175.8	0	0	0	0	111.3	A268 A274 V297 I301 V419 M420 G421 M422 V473 N477 R479	A268-V475 HydrophobicContact CB-CG2 4.41Å; A274-V475 HydrophobicContact CB-CG2 3.96Å; V297-V475 HydrophobicContact CG2-CB 4.34Å; V297-V475 HydrophobicContact CG2-CG2 4.3Å; I301-V475 HydrophobicContact CG2-CG1 4.21Å; V419-V475 HydrophobicContact CG1-CG2 3.93Å; M420-V475 PolarHBondContact O-N 3.02Å; G421-V475 CarbonylContact C-O 3.59Å; G421-V475 WeakPolarHBondContact CA-O 3.27Å; M422-V475 PolarHBondContact N-O 2.85Å; V473-V475 HydrophobicContact CG1-CG2 4.11Å; V475-N477 HydrophobicContact CG1-CB 3.59Å; V475-R479 WeakPolarHBondContact O-CD 3.32Å
476	D	95.9	Very high	96.3	Very high	8 Å²	8	24.5 Å²	24.5	4%	0.043	14%	0.137	C	C	.	.			trans	-79.9	-72	164.2	177.9	1.4	0	0	0	109.9	A268 M422 G478 R479 S480 F645	A268-D476 PolarHBondContact O-N 2.81Å; M422-D476 HydrophobicContact SD-CB 4.01Å; D476-G478 PolarHBondContact O-N 3.37Å; D476-G478 PolarHBondContact OD1-N 3.03Å; D476-G478 VanDerWaalsContact OD1-N 3.11Å; D476-R479 WeakPolarHBondContact O-CB 3.5Å; D476-R479 WeakPolarHBondContact O-CD 3.44Å; D476-R479 WeakPolarHBondContact O-CG 3.27Å; D476-R479 PolarHBondContact O-N 2.92Å; D476-R479 PolarHBondContact O-NH1 3.38Å; D476-R479 WeakPolarHBondContact OD1-CA 3.44Å; D476-R479 PolarHBondContact OD1-N 3.26Å; D476-S480 VanDerWaalsContact CG-OG 3.31Å; D476-S480 PolarHBondContact OD1-N 3.07Å; D476-S480 PolarHBondContact OD1-OG 2.73Å; D476-S480 VanDerWaalsContact OD2-CB 3.24Å; D476-S480 WeakPolarHBondContact OD2-CB 3.35Å; D476-S480 PolarHBondContact OD2-OG 3.21Å; D476-F645 HydrophobicContact CB-CE2 3.56Å; D476-F645 HydrophobicContact CB-CZ 3.7Å
477	N	94.1	Very high	96.3	Very high	29 Å²	29	24.7 Å²	24.7	16%	0.155	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.3	37.3	-178.7	-164.1	42.8	0	0	0	113	R269 K271 E300 V475 L530	R269-N477 VanDerWaalsContact O-CA 3.29Å; R269-N477 WeakPolarHBondContact O-CA 3.46Å; R269-N477 PolarHBondContact O-N 3.31Å; K271-N477 PolarHBondContact N-OD1 2.94Å; E300-N477 PolarHBondContact OE1-ND2 2.65Å; V475-N477 HydrophobicContact CG1-CB 3.59Å; N477-L530 WeakPolarHBondContact O-CD2 3.46Å
478	G	93.5	Very high	96.3	Very high	18 Å²	18	27.7 Å²	27.7	19%	0.186	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	95.5	2.8	178.8	0	0	0	0	0	115.6	D476 S480 E481 V482	D476-G478 PolarHBondContact O-N 3.37Å; D476-G478 PolarHBondContact OD1-N 3.03Å; D476-G478 VanDerWaalsContact OD1-N 3.11Å; G478-S480 VanDerWaalsContact C-N 3.31Å; G478-S480 PolarHBondContact O-N 3.28Å; G478-E481 PolarHBondContact O-N 2.89Å; G478-V482 WeakPolarHBondContact O-CG2 3.42Å; G478-V482 PolarHBondContact O-N 3.49Å
479	R	96.1	Very high	96.3	Very high	3 Å²	3	25.6 Å²	25.6	1%	0.011	14%	0.14	C	C	.	.	H	α-helix	trans	-64.2	-31.8	172.4	-71.6	164.1	177.2	67.8	1.4	112.8	E300 M422 E423 V475 D476 V482 L483 L491 L530	E300-R479 IonicContact OE1-CZ 3.75Å; E300-R479 IonicContact OE1-NH1 3.18Å; E300-R479 PolarHBondContact OE1-NH1 2.89Å; E300-R479 IonicContact OE1-NH2 3.03Å; E300-R479 PolarHBondContact OE1-NH2 3.36Å; E300-R479 IonicContact OE2-CZ 3.59Å; E300-R479 IonicContact OE2-NH1 2.66Å; E300-R479 IonicContact OE2-NH2 3.9Å; E300-R479 PolarHBondContact OE2-NH2 2.93Å; M422-R479 HydrophobicContact CE-CB 3.84Å; M422-R479 HydrophobicContact CG-CB 4.04Å; M422-R479 HydrophobicContact SD-CB 4.21Å; E423-R479 WeakPolarHBondContact OE2-CD 3.43Å; E423-R479 IonicContact OE2-NE 2.74Å; E423-R479 PolarHBondContact OE2-NE 2.96Å; V475-R479 WeakPolarHBondContact O-CD 3.32Å; D476-R479 WeakPolarHBondContact O-CB 3.5Å; D476-R479 WeakPolarHBondContact O-CD 3.44Å; D476-R479 WeakPolarHBondContact O-CG 3.27Å; D476-R479 PolarHBondContact O-N 2.92Å; D476-R479 PolarHBondContact O-NH1 3.38Å; D476-R479 WeakPolarHBondContact OD1-CA 3.44Å; D476-R479 PolarHBondContact OD1-N 3.26Å; R479-V482 WeakPolarHBondContact O-CB 3.34Å; R479-V482 PolarHBondContact O-N 2.85Å; R479-V482 VanDerWaalsContact O-N 3.12Å; R479-L483 WeakPolarHBondContact O-CB 3.32Å; R479-L483 PolarHBondContact O-N 3.21Å; R479-L491 HydrophobicContact CB-CD2 4.3Å; R479-L491 HydrophobicContact CG-CD2 4.08Å; R479-L530 HydrophobicContact CG-CD2 4.33Å
480	S	95.6	Very high	96.4	Very high	20 Å²	20	23.4 Å²	23.4	14%	0.14	13%	0.13	C	C	.	.	H	α-helix	trans	-61.3	-45.2	173.3	55.6	0	0	0	0	111.3	D476 G478 V482 L483 A484 A652	D476-S480 VanDerWaalsContact CG-OG 3.31Å; D476-S480 PolarHBondContact OD1-N 3.07Å; D476-S480 PolarHBondContact OD1-OG 2.73Å; D476-S480 VanDerWaalsContact OD2-CB 3.24Å; D476-S480 WeakPolarHBondContact OD2-CB 3.35Å; D476-S480 PolarHBondContact OD2-OG 3.21Å; G478-S480 VanDerWaalsContact C-N 3.31Å; G478-S480 PolarHBondContact O-N 3.28Å; S480-V482 PolarHBondContact O-N 3.41Å; S480-L483 WeakPolarHBondContact O-CB 3.45Å; S480-L483 PolarHBondContact O-N 2.93Å; S480-A484 WeakPolarHBondContact O-CB 3.32Å; S480-A484 PolarHBondContact O-N 2.93Å; S480-A652 WeakPolarHBondContact O-CB 3.49Å
481	E	95	Very high	96.3	Very high	110 Å²	110	23.5 Å²	23.5	51%	0.514	13%	0.131	S	C	.	.	H	α-helix	trans	-66.6	-24.2	172.1	-52.6	-170.9	173.3	0	0	113.8	G478 S485 R529	G478-E481 PolarHBondContact O-N 2.89Å; E481-S485 VanDerWaalsContact O-CB 3.3Å; E481-S485 WeakPolarHBondContact O-CB 3.43Å; E481-S485 PolarHBondContact O-OG 3.17Å; E481-R529 PolarHBondContact O-NH2 2.77Å; E481-R529 IonicContact OE2-CZ 3.37Å; E481-R529 IonicContact OE2-NH1 3.6Å; E481-R529 PolarHBondContact OE2-NH1 3.27Å; E481-R529 IonicContact OE2-NH2 2.75Å; E481-R529 PolarHBondContact OE2-NH2 3.02Å
482	V	96.5	Very high	96.3	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-74.2	-44	173.2	174.4	0	0	0	0	109.6	G478 R479 S480 A484 S485 F487 R488 V490 L491 R529	G478-V482 WeakPolarHBondContact O-CG2 3.42Å; G478-V482 PolarHBondContact O-N 3.49Å; R479-V482 WeakPolarHBondContact O-CB 3.34Å; R479-V482 PolarHBondContact O-N 2.85Å; R479-V482 VanDerWaalsContact O-N 3.12Å; S480-V482 PolarHBondContact O-N 3.41Å; V482-A484 PolarHBondContact O-N 2.98Å; V482-S485 PolarHBondContact O-N 3.03Å; V482-S485 PolarHBondContact O-OG 3.29Å; V482-F487 HydrophobicContact CG1-CB 4.24Å; V482-R488 WeakPolarHBondContact O-CA 3.39Å; V482-R488 PolarHBondContact O-N 3.14Å; V482-V490 HydrophobicContact CG1-CG1 3.5Å; V482-V490 VanDerWaalsContact CG1-CG1 3.5Å; V482-L491 HydrophobicContact CB-CD1 4.25Å; V482-L491 HydrophobicContact CB-CD2 4.33Å; V482-L491 HydrophobicContact CB-CG 4.42Å; V482-L491 HydrophobicContact CG1-CD1 3.95Å; V482-L491 HydrophobicContact CG1-CD2 3.91Å; V482-L491 HydrophobicContact CG1-CG 3.73Å; V482-R529 HydrophobicContact CG2-CB 3.58Å; V482-R529 HydrophobicContact CG2-CG 3.92Å
483	L	96.7	Very high	96.3	Very high	5 Å²	5	25.2 Å²	25.2	3%	0.026	14%	0.139	C	C	.	.	H	α-helix	trans	-62	-39.6	178	-176.6	60.7	0	0	0	112.6	L244 L247 M422 R479 S480 S485 R488 L491 V649 L653	L244-L483 HydrophobicContact CB-CD1 4.06Å; L244-L483 HydrophobicContact CD2-CD1 4.15Å; L247-L483 HydrophobicContact CD2-CD2 3.92Å; M422-L483 HydrophobicContact CE-CD2 4.25Å; R479-L483 WeakPolarHBondContact O-CB 3.32Å; R479-L483 PolarHBondContact O-N 3.21Å; S480-L483 WeakPolarHBondContact O-CB 3.45Å; S480-L483 PolarHBondContact O-N 2.93Å; L483-S485 PolarHBondContact O-N 3.4Å; L483-R488 HydrophobicContact CD1-CB 4.45Å; L483-L491 HydrophobicContact CB-CD1 3.85Å; L483-L491 HydrophobicContact CD1-CD1 4.25Å; L483-V649 HydrophobicContact CD2-CG1 4.17Å; L483-L653 HydrophobicContact CD1-CD2 4.05Å; L483-L653 HydrophobicContact CD2-CD1 4.4Å; L483-L653 HydrophobicContact CD2-CD2 3.9Å; L483-L653 HydrophobicContact CD2-CG 3.98Å; L483-L653 HydrophobicContact CG-CD2 3.89Å; L483-L653 HydrophobicContact CG-CG 4.4Å
484	A	95.1	Very high	96.2	Very high	64 Å²	64	25.3 Å²	25.3	53%	0.529	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-5.1	174.1	0	0	0	0	0	114.4	S480 V482 A652	S480-A484 WeakPolarHBondContact O-CB 3.32Å; S480-A484 PolarHBondContact O-N 2.93Å; V482-A484 PolarHBondContact O-N 2.98Å; A484-A652 VanDerWaalsContact CA-O 3.3Å; A484-A652 WeakPolarHBondContact CA-O 3.28Å; A484-A652 HydrophobicContact CB-CB 3.92Å; A484-A652 WeakPolarHBondContact CB-O 3.48Å
485	S	94.6	Very high	96.1	Very high	29 Å²	29	27.4 Å²	27.4	20%	0.203	15%	0.148	C	C	.	.	S	Bend	trans	-116.3	165.5	-171.6	77.6	0	0	0	0	113	E481 V482 L483 F487 R488	E481-S485 VanDerWaalsContact O-CB 3.3Å; E481-S485 WeakPolarHBondContact O-CB 3.43Å; E481-S485 PolarHBondContact O-OG 3.17Å; V482-S485 PolarHBondContact O-N 3.03Å; V482-S485 PolarHBondContact O-OG 3.29Å; L483-S485 PolarHBondContact O-N 3.4Å; S485-F487 PolarHBondContact O-N 3.02Å; S485-F487 WeakPolarHBondContact OG-CB 3.36Å; S485-F487 PolarHBondContact OG-N 3.25Å; S485-R488 WeakPolarHBondContact O-CB 3.24Å; S485-R488 PolarHBondContact O-N 3.42Å
486	E	92.7	Very high	96	Very high	91 Å²	91	27.9 Å²	27.9	43%	0.425	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-6.6	168.4	65	-169.5	147	0	0	115	R565	E486-R565 VanDerWaalsContact CD-CG 3.46Å; E486-R565 HydrophobicContact CG-CG 4.12Å; E486-R565 IonicContact OE1-CZ 2.76Å; E486-R565 IonicContact OE1-NE 3.72Å; E486-R565 PolarHBondContact OE1-NE 2.7Å; E486-R565 IonicContact OE1-NH1 3.57Å; E486-R565 IonicContact OE1-NH2 2.68Å; E486-R565 PolarHBondContact OE1-NH2 3.43Å; E486-R565 WeakPolarHBondContact OE2-CD 3.36Å; E486-R565 WeakPolarHBondContact OE2-CG 3.4Å; E486-R565 IonicContact OE2-CZ 3.67Å; E486-R565 IonicContact OE2-NE 2.73Å; E486-R565 PolarHBondContact OE2-NE 2.95Å; E486-R565 IonicContact OE2-NH1 3.76Å; E486-R565 PolarHBondContact OE2-NH1 3.28Å; E486-R565 IonicContact OE2-NH2 3.82Å; E486-R565 PolarHBondContact OE2-NH2 2.93Å
487	F	96.9	Very high	95.9	Very high	7 Å²	7	27.8 Å²	27.8	3%	0.031	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.3	-3.2	174.2	-60.3	-88.4	0	0	0	113.8	V482 S485 D489 V490 V525 R529 L562 R565 H566	V482-F487 HydrophobicContact CG1-CB 4.24Å; S485-F487 PolarHBondContact O-N 3.02Å; S485-F487 WeakPolarHBondContact OG-CB 3.36Å; S485-F487 PolarHBondContact OG-N 3.25Å; F487-D489 PolarHBondContact O-N 3.41Å; F487-V490 WeakPolarHBondContact O-CB 3.44Å; F487-V490 VanDerWaalsContact O-CG1 3.24Å; F487-V490 WeakPolarHBondContact O-CG1 3.47Å; F487-V490 PolarHBondContact O-N 3.35Å; F487-V525 HydrophobicContact CD1-CG1 4.08Å; F487-R529 HydrophobicContact CG-CG 4.39Å; F487-L562 HydrophobicContact CD1-CB 4.29Å; F487-L562 HydrophobicContact CD1-CD2 4.3Å; F487-L562 WeakPolarHBondContact CE1-O 3.47Å; F487-R565 HydrophobicContact CE1-CB 4.12Å; F487-R565 HydrophobicContact CE1-CG 4.23Å; F487-R565 HydrophobicContact CE2-CG 4.32Å; F487-R565 HydrophobicContact CZ-CB 4.09Å; F487-R565 HydrophobicContact CZ-CG 3.73Å; F487-H566 AromaticContact CD1-NE2 3.61Å; F487-H566 AromaticContact CE1-CD2 3.47Å; F487-H566 VanDerWaalsContact CE1-CD2 3.47Å; F487-H566 WeakPolarHBondContact CE1-CD2 3.41Å; F487-H566 AromaticContact CE1-CE1 3.5Å; F487-H566 AromaticContact CE1-CG 3.78Å; F487-H566 AromaticContact CE1-ND1 3.8Å; F487-H566 AromaticContact CE1-NE2 3.27Å; F487-H566 VanDerWaalsContact CE1-NE2 3.27Å; F487-H566 WeakPolarHBondContact CE1-NE2 3.45Å; F487-H566 AromaticContact CZ-CE1 3.81Å; F487-H566 AromaticContact CZ-ND1 3.84Å
488	R	97.1	Very high	96	Very high	65 Å²	65	26.6 Å²	26.6	25%	0.245	15%	0.146	C	C	.	.	G	3₁₀ helix	trans	-45.6	-37.8	-174.4	60	170.8	-87.9	154.3	-6.6	114.9	D241 S245 V482 L483 S485 V490 L491	D241-R488 IonicContact OD1-NH2 3.47Å; S245-R488 PolarHBondContact OG-NH2 3.46Å; V482-R488 WeakPolarHBondContact O-CA 3.39Å; V482-R488 PolarHBondContact O-N 3.14Å; L483-R488 HydrophobicContact CD1-CB 4.45Å; S485-R488 WeakPolarHBondContact O-CB 3.24Å; S485-R488 PolarHBondContact O-N 3.42Å; R488-V490 PolarHBondContact O-N 3.33Å; R488-L491 VanDerWaalsContact O-CB 3.32Å; R488-L491 WeakPolarHBondContact O-CB 3.49Å; R488-L491 PolarHBondContact O-N 3.47Å
489	D	97.2	Very high	96.1	Very high	38 Å²	38	26.3 Å²	26.3	20%	0.203	14%	0.141	C	C	.	.	G	3₁₀ helix	trans	-46.6	-33	174.7	-80.6	45.2	0	0	0	114.7	F487 L491 R492 I557 P558 L562	F487-D489 PolarHBondContact O-N 3.41Å; D489-L491 PolarHBondContact O-N 3.08Å; D489-R492 WeakPolarHBondContact O-CB 3.25Å; D489-R492 WeakPolarHBondContact O-CG 3.4Å; D489-R492 PolarHBondContact O-N 2.88Å; D489-R492 VanDerWaalsContact O-N 3.17Å; D489-R492 IonicContact OD2-CZ 3.31Å; D489-R492 IonicContact OD2-NH2 2.84Å; D489-R492 PolarHBondContact OD2-NH2 2.88Å; D489-I557 HydrophobicContact CB-CG2 4.42Å; D489-I557 WeakPolarHBondContact O-CG1 3.42Å; D489-P558 WeakPolarHBondContact OD2-CD 3.4Å; D489-P558 WeakPolarHBondContact OD2-CG 3.23Å; D489-L562 HydrophobicContact CB-CD1 4.03Å
490	V	97.7	Very high	95.9	Very high	4 Å²	4	26.1 Å²	26.1	2%	0.024	14%	0.14	C	C	.	.	G	3₁₀ helix	trans	-62.9	-29.7	179.9	79	0	0	0	0	112	V482 F487 R488 R492 C493 I522 V525 I526 L562	V482-V490 HydrophobicContact CG1-CG1 3.5Å; V482-V490 VanDerWaalsContact CG1-CG1 3.5Å; F487-V490 WeakPolarHBondContact O-CB 3.44Å; F487-V490 VanDerWaalsContact O-CG1 3.24Å; F487-V490 WeakPolarHBondContact O-CG1 3.47Å; F487-V490 PolarHBondContact O-N 3.35Å; R488-V490 PolarHBondContact O-N 3.33Å; V490-R492 PolarHBondContact O-N 2.73Å; V490-C493 WeakPolarHBondContact O-CB 3.46Å; V490-C493 PolarHBondContact O-N 3.24Å; V490-C493 VanDerWaalsContact O-N 3.14Å; V490-I522 HydrophobicContact CG2-CD1 3.5Å; V490-V525 HydrophobicContact CB-CG1 3.92Å; V490-V525 HydrophobicContact CG1-CG1 4.48Å; V490-V525 HydrophobicContact CG2-CB 4.01Å; V490-V525 HydrophobicContact CG2-CG1 3.67Å; V490-I526 HydrophobicContact CG1-CD1 3.88Å; V490-I526 HydrophobicContact CG2-CB 4.34Å; V490-I526 HydrophobicContact CG2-CD1 4.45Å; V490-L562 HydrophobicContact CB-CD1 4.23Å
491	L	97.9	Very high	95.6	Very high	3 Å²	3	25.9 Å²	25.9	2%	0.016	14%	0.137	C	C	.	.	G	3₁₀ helix	trans	-70.3	-13.8	179.8	-57.3	176.4	0	0	0	112.4	R240 L244 E423 R479 V482 L483 R488 D489 C493	R240-L491 PolarHBondContact NH2-O 3.04Å; L244-L491 HydrophobicContact CD1-CB 3.97Å; L244-L491 HydrophobicContact CD2-CB 3.55Å; L244-L491 HydrophobicContact CD2-CD1 4.04Å; L244-L491 HydrophobicContact CD2-CG 4.46Å; L244-L491 HydrophobicContact CG-CB 4.43Å; E423-L491 HydrophobicContact CB-CB 4.07Å; E423-L491 HydrophobicContact CB-CD2 4.49Å; E423-L491 HydrophobicContact CG-CB 4.16Å; E423-L491 HydrophobicContact CG-CD2 4.37Å; E423-L491 WeakPolarHBondContact CG-O 3.27Å; R479-L491 HydrophobicContact CB-CD2 4.3Å; R479-L491 HydrophobicContact CG-CD2 4.08Å; V482-L491 HydrophobicContact CB-CD1 4.25Å; V482-L491 HydrophobicContact CB-CD2 4.33Å; V482-L491 HydrophobicContact CB-CG 4.42Å; V482-L491 HydrophobicContact CG1-CD1 3.95Å; V482-L491 HydrophobicContact CG1-CD2 3.91Å; V482-L491 HydrophobicContact CG1-CG 3.73Å; L483-L491 HydrophobicContact CB-CD1 3.85Å; L483-L491 HydrophobicContact CD1-CD1 4.25Å; R488-L491 VanDerWaalsContact O-CB 3.32Å; R488-L491 WeakPolarHBondContact O-CB 3.49Å; R488-L491 PolarHBondContact O-N 3.47Å; D489-L491 PolarHBondContact O-N 3.08Å; L491-C493 PolarHBondContact O-N 2.88Å
492	R	98.3	Very high	95.4	Very high	22 Å²	22	22.5 Å²	22.5	8%	0.083	12%	0.124	C	C	.	.	G	3₁₀ helix	trans	-61.9	-23	170.2	-62.3	-167.9	-85.1	-176	0.8	112.4	R240 D241 L244 D489 V490 I494 V555 R556 I557	R240-R492 HydrophobicContact CB-CB 3.9Å; R240-R492 HydrophobicContact CB-CG 3.84Å; R240-R492 PolarHBondContact NE-O 3.33Å; R240-R492 VanDerWaalsContact NE-O 3.1Å; D241-R492 IonicContact OD1-NE 2.82Å; D241-R492 VanDerWaalsContact OD2-CD 3.29Å; D241-R492 WeakPolarHBondContact OD2-CD 3.25Å; D241-R492 IonicContact OD2-CZ 3.72Å; D241-R492 IonicContact OD2-NE 3.25Å; D241-R492 IonicContact OD2-NH1 2.68Å; D241-R492 PolarHBondContact OD2-NH1 3.11Å; L244-R492 HydrophobicContact CD1-CG 3.75Å; D489-R492 WeakPolarHBondContact O-CB 3.25Å; D489-R492 WeakPolarHBondContact O-CG 3.4Å; D489-R492 PolarHBondContact O-N 2.88Å; D489-R492 VanDerWaalsContact O-N 3.17Å; D489-R492 IonicContact OD2-CZ 3.31Å; D489-R492 IonicContact OD2-NH2 2.84Å; D489-R492 PolarHBondContact OD2-NH2 2.88Å; V490-R492 PolarHBondContact O-N 2.73Å; R492-I494 PolarHBondContact O-N 2.84Å; R492-V555 HydrophobicContact CB-CB 4.41Å; R492-V555 HydrophobicContact CB-CG2 4.27Å; R492-R556 PolarHBondContact NH2-O 3.42Å; R492-I557 HydrophobicContact CB-CD1 4.11Å; R492-I557 HydrophobicContact CB-CG1 4.04Å
493	C	98	Very high	95.2	Very high	13 Å²	13	23 Å²	23	9%	0.088	13%	0.128	C	C	.	.			trans	-54.6	119.1	-165	-174.5	0	0	0	0	114.8	R424 V490 L491 R495 I522 I557	R424-C493 VanDerWaalsContact CZ-O 3.24Å; R424-C493 PolarHBondContact NH1-O 3.06Å; R424-C493 PolarHBondContact NH2-O 3.25Å; V490-C493 WeakPolarHBondContact O-CB 3.46Å; V490-C493 PolarHBondContact O-N 3.24Å; V490-C493 VanDerWaalsContact O-N 3.14Å; L491-C493 PolarHBondContact O-N 2.88Å; C493-R495 PolarHBondContact O-N 3.29Å; C493-R495 PolarHBondContact SG-N 3.32Å; C493-R495 VanDerWaalsContact SG-N 3.43Å; C493-I522 HydrophobicContact CB-CD1 3.88Å; C493-I557 HydrophobicContact CB-CD1 3.66Å
494	I	96.9	Very high	94.7	Very high	2 Å²	2	23.2 Å²	23.2	1%	0.01	13%	0.129	C	C	.	.			trans	-85.5	16	177.2	71.7	176.8	0	0	0	114	F389 L435 M438 L439 R492 C496 P554 V555	F389-I494 HydrophobicContact CE1-CG2 4.41Å; F389-I494 HydrophobicContact CZ-CB 4.01Å; F389-I494 HydrophobicContact CZ-CG2 3.77Å; L435-I494 HydrophobicContact CD2-CG2 3.97Å; M438-I494 HydrophobicContact CB-CD1 4.1Å; L439-I494 HydrophobicContact CB-CD1 4.03Å; L439-I494 WeakPolarHBondContact CD1-O 3.48Å; R492-I494 PolarHBondContact O-N 2.84Å; I494-C496 HydrophobicContact CD1-CB 4.47Å; I494-C496 HydrophobicContact CG1-CB 4.06Å; I494-C496 PolarHBondContact O-N 3.4Å; I494-P554 HydrophobicContact CD1-CB 4.08Å; I494-P554 HydrophobicContact CD1-CG 3.6Å; I494-P554 HydrophobicContact CG1-CG 4.01Å; I494-V555 HydrophobicContact CD1-CG1 4.39Å; I494-V555 HydrophobicContact CG2-CG1 3.71Å; I494-V555 HydrophobicContact CG2-CG2 4.15Å
495	R	94.9	Very high	94.1	Very high	44 Å²	44	20.2 Å²	20.2	17%	0.166	10%	0.104	C	C	.	.			trans	55.5	9.2	177.4	-57.2	-61.3	-178.5	170.7	6.8	117.5	V334 C493 G497 Y518	V334-R495 HydrophobicContact CG1-CB 4.29Å; V334-R495 VanDerWaalsContact CG1-O 3.22Å; V334-R495 WeakPolarHBondContact CG1-O 3.42Å; C493-R495 PolarHBondContact O-N 3.29Å; C493-R495 PolarHBondContact SG-N 3.32Å; C493-R495 VanDerWaalsContact SG-N 3.43Å; R495-G497 PolarHBondContact O-N 2.99Å; R495-Y518 PolarHBondContact NH2-OH 3.41Å
496	C	95.4	Very high	93.7	Very high	11 Å²	11	18.8 Å²	18.8	7%	0.074	10%	0.095	C	C	.	.			trans	-59.2	4.1	-179.4	66.1	0	0	0	0	118.8	L439 A443 I494 A498 P554	L439-C496 HydrophobicContact CG-CB 4.32Å; A443-C496 WeakPolarHBondContact CA-O 3.34Å; A443-C496 HydrophobicContact CB-CB 4.05Å; A443-C496 WeakPolarHBondContact CB-O 3.37Å; I494-C496 HydrophobicContact CD1-CB 4.47Å; I494-C496 HydrophobicContact CG1-CB 4.06Å; I494-C496 PolarHBondContact O-N 3.4Å; C496-A498 PolarHBondContact O-N 3.41Å; C496-P554 VanDerWaalsContact SG-CG 3.53Å
497	G	93.8	Very high	93.3	Very high	5 Å²	5	15.1 Å²	15.1	5%	0.052	8%	0.077	C	C	.	.	S	Bend	trans	65.7	-15.7	177.8	0	0	0	0	0	117.9	R495 C499 M500 N501	R495-G497 PolarHBondContact O-N 2.99Å; G497-C499 PolarHBondContact O-N 3.08Å; G497-M500 WeakPolarHBondContact O-CA 3.25Å; G497-M500 VanDerWaalsContact O-CB 3.25Å; G497-M500 WeakPolarHBondContact O-CB 3.41Å; G497-M500 PolarHBondContact O-N 3.45Å; G497-N501 PolarHBondContact O-N 3.36Å
498	A	95.3	Very high	92.2	Very high	4 Å²	4	15.1 Å²	15.1	3%	0.033	8%	0.077	C	C	.	.	H	α-helix	trans	-52.2	-36.2	-173.4	0	0	0	0	0	114.8	C496 M500 N501 T502 V552	C496-A498 PolarHBondContact O-N 3.41Å; A498-M500 VanDerWaalsContact C-N 3.28Å; A498-M500 PolarHBondContact O-N 2.83Å; A498-N501 PolarHBondContact O-N 3.08Å; A498-T502 PolarHBondContact O-N 2.9Å; A498-T502 VanDerWaalsContact O-N 3.11Å; A498-V552 HydrophobicContact CB-CG2 4.18Å; A498-V552 WeakPolarHBondContact O-CG2 2.98Å
499	C	95.8	Very high	91.1	Very high	12 Å²	12	13.3 Å²	13.3	8%	0.081	7%	0.072	C	C	.	.	H	α-helix	trans	-65.3	-28.1	175.8	68.1	0	0	0	0	113.7	G497 C503 P521 C549 L559	G497-C499 PolarHBondContact O-N 3.08Å; C499-C503 WeakPolarHBondContact O-CB 3.49Å; C499-P521 WeakPolarHBondContact O-CD 3.13Å; C499-P521 WeakPolarHBondContact O-CG 3.36Å; C499-C549 HydrophobicContact CB-CB 3.74Å; C499-L559 HydrophobicContact CB-CD1 3.53Å
500	M	92	Very high	90	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-78.8	-44.2	173	-51	161.6	70.1	0	0	109.6	Q212 V334 G497 A498 T502 C503 Y506 P519	Q212-M500 PolarHBondContact NE2-O 3.44Å; V334-M500 HydrophobicContact CB-SD 4.16Å; V334-M500 HydrophobicContact CG2-CE 4.08Å; V334-M500 HydrophobicContact CG2-SD 3.67Å; G497-M500 WeakPolarHBondContact O-CA 3.25Å; G497-M500 VanDerWaalsContact O-CB 3.25Å; G497-M500 WeakPolarHBondContact O-CB 3.41Å; G497-M500 PolarHBondContact O-N 3.45Å; A498-M500 VanDerWaalsContact C-N 3.28Å; A498-M500 PolarHBondContact O-N 2.83Å; M500-T502 PolarHBondContact O-N 2.94Å; M500-C503 WeakPolarHBondContact O-CB 3.28Å; M500-C503 PolarHBondContact O-N 3.18Å; M500-Y506 HydrophobicContact CB-CD1 4.32Å; M500-Y506 HydrophobicContact CB-CD2 4.35Å; M500-Y506 HydrophobicContact CB-CE1 4.44Å; M500-Y506 HydrophobicContact CB-CE2 4.47Å; M500-Y506 HydrophobicContact CB-CG 4.3Å; M500-Y506 HydrophobicContact CE-CD2 4.18Å; M500-Y506 HydrophobicContact CE-CE2 3.51Å; M500-P519 HydrophobicContact CE-CB 3.78Å; M500-P519 HydrophobicContact CE-CG 3.58Å
501	N	89.9	Confident	88.8	Confident	14 Å²	14	11.5 Å²	11.5	8%	0.075	6%	0.063	C	C	.	.	H	α-helix	trans	-65.8	-20.1	-178.3	-71.8	-28.6	0	0	0	114.8	Q212 H333 G497 A498	Q212-N501 WeakPolarHBondContact CB-O 3.16Å; Q212-N501 VanDerWaalsContact CG-O 3.23Å; Q212-N501 WeakPolarHBondContact CG-O 3.37Å; Q212-N501 PolarHBondContact OE1-O 3.44Å; H333-N501 PolarHBondContact NE2-OD1 3.01Å; G497-N501 PolarHBondContact O-N 3.36Å; A498-N501 PolarHBondContact O-N 3.08Å
502	T	90.9	Very high	87.7	Confident	40 Å²	40	15 Å²	15	25%	0.245	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.9	-3.8	170	-159.4	0	0	0	0	113.3	A498 M500 P504 A548 C549 V552	A498-T502 PolarHBondContact O-N 2.9Å; A498-T502 VanDerWaalsContact O-N 3.11Å; M500-T502 PolarHBondContact O-N 2.94Å; T502-P504 VanDerWaalsContact O-CD 3.28Å; T502-P504 WeakPolarHBondContact O-CD 3.47Å; T502-A548 HydrophobicContact CG2-CB 3.93Å; T502-A548 WeakPolarHBondContact CG2-O 3.4Å; T502-C549 HydrophobicContact CG2-CB 4.37Å; T502-V552 HydrophobicContact CG2-CB 4.44Å; T502-V552 HydrophobicContact CG2-CG1 4.09Å; T502-V552 HydrophobicContact CG2-CG2 3.48Å; T502-V552 VanDerWaalsContact CG2-CG2 3.48Å
503	C	91.5	Very high	86.2	Confident	11 Å²	11	16.1 Å²	16.1	7%	0.074	10%	0.098	C	C	.	.			trans	-83.9	117.7	-175.7	-175.3	0	0	0	0	110.5	Q212 C499 M500 R507 P521	Q212-C503 PolarHBondContact NE2-O 3.23Å; C499-C503 WeakPolarHBondContact O-CB 3.49Å; M500-C503 WeakPolarHBondContact O-CB 3.28Å; M500-C503 PolarHBondContact O-N 3.18Å; C503-R507 PolarHBondContact O-N 3.11Å; C503-R507 VanDerWaalsContact O-N 3.15Å; C503-P521 HydrophobicContact CB-CG 3.67Å
504	P	85.9	Confident	85.2	Confident	8 Å²	8	15.7 Å²	15.7	5%	0.052	10%	0.095	C	C	.	.	H	α-helix	trans	-76.1	-28.4	179	30.9	-34.9	0	0	0	112.1	C154 M172 T502 Y506 R507 H508	C154-P504 HydrophobicContact CB-CG 3.84Å; M172-P504 HydrophobicContact CE-CB 3.8Å; M172-P504 HydrophobicContact CE-CG 3.52Å; M172-P504 HydrophobicContact CG-CB 4.29Å; M172-P504 HydrophobicContact SD-CB 4.44Å; M172-P504 HydrophobicContact SD-CG 4.5Å; T502-P504 VanDerWaalsContact O-CD 3.28Å; T502-P504 WeakPolarHBondContact O-CD 3.47Å; P504-Y506 VanDerWaalsContact C-N 3.34Å; P504-Y506 PolarHBondContact O-N 3.28Å; P504-R507 VanDerWaalsContact O-CB 3.32Å; P504-R507 WeakPolarHBondContact O-CB 3.47Å; P504-R507 PolarHBondContact O-N 3.17Å; P504-H508 PolarHBondContact O-CD2 2.81Å
505	A	83.8	Confident	84	Confident	1 Å²	1	18.6 Å²	18.6	1%	0.008	13%	0.125	C	C	.	.	H	α-helix	trans	-61.6	-45.4	172.9	0	0	0	0	0	111	F161 I168 R507 H508 I509	F161-A505 HydrophobicContact CE2-CB 4.31Å; F161-A505 HydrophobicContact CZ-CB 4.29Å; I168-A505 HydrophobicContact CG2-CB 4.32Å; A505-R507 VanDerWaalsContact C-N 3.3Å; A505-R507 PolarHBondContact O-N 3.06Å; A505-H508 PolarHBondContact O-N 2.69Å; A505-H508 VanDerWaalsContact O-N 3.17Å; A505-I509 PolarHBondContact O-N 2.74Å
506	Y	86.2	Confident	83.3	Confident	0 Å²	0	17.7 Å²	17.7	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-60.6	-34.3	173.2	177.4	-85.7	0	0	0	113	V208 S332 H333 M500 P504 H508 G510 Y514 P519	V208-Y506 HydrophobicContact CG1-CD1 4Å; V208-Y506 HydrophobicContact CG1-CE1 3.62Å; S332-Y506 PolarHBondContact O-OH 3.12Å; S332-Y506 VanDerWaalsContact O-OH 3.11Å; H333-Y506 WeakPolarHBondContact CB-OH 3.39Å; H333-Y506 AromaticContact CD2-CZ 3.92Å; H333-Y506 PolarHBondContact CD2-OH 3.24Å; M500-Y506 HydrophobicContact CB-CD1 4.32Å; M500-Y506 HydrophobicContact CB-CD2 4.35Å; M500-Y506 HydrophobicContact CB-CE1 4.44Å; M500-Y506 HydrophobicContact CB-CE2 4.47Å; M500-Y506 HydrophobicContact CB-CG 4.3Å; M500-Y506 HydrophobicContact CE-CD2 4.18Å; M500-Y506 HydrophobicContact CE-CE2 3.51Å; P504-Y506 VanDerWaalsContact C-N 3.34Å; P504-Y506 PolarHBondContact O-N 3.28Å; Y506-H508 PolarHBondContact O-N 2.9Å; Y506-H508 VanDerWaalsContact O-N 3.15Å; Y506-G510 VanDerWaalsContact CD2-O 3.23Å; Y506-G510 WeakPolarHBondContact CD2-O 3.42Å; Y506-G510 VanDerWaalsContact CE2-C 3.47Å; Y506-G510 WeakPolarHBondContact CE2-O 3.24Å; Y506-G510 WeakPolarHBondContact O-CA 3.36Å; Y506-G510 PolarHBondContact O-N 3.46Å; Y506-Y514 HydrophobicContact CD2-CD2 4.28Å; Y506-Y514 AromaticContact CD2-CE2 3.8Å; Y506-Y514 HydrophobicContact CD2-CE2 3.8Å; Y506-Y514 HydrophobicContact CG-CE2 4.43Å; Y506-P519 HydrophobicContact CD2-CB 4.37Å; Y506-P519 HydrophobicContact CE2-CB 4.05Å
507	R	84.5	Confident	82.8	Confident	14 Å²	14	20.1 Å²	20.1	5%	0.053	14%	0.137	C	C	.	.	H	α-helix	trans	-55.6	-31.4	175.3	-172.8	178	-67.6	-174.8	-4.1	112.9	E150 E175 A209 Q212 C503 P504 A505	E150-R507 VanDerWaalsContact CD-NH1 3.34Å; E150-R507 IonicContact OE2-CZ 2.95Å; E150-R507 VanDerWaalsContact OE2-CZ 3.25Å; E150-R507 IonicContact OE2-NH1 2.75Å; E150-R507 PolarHBondContact OE2-NH1 3.23Å; E150-R507 IonicContact OE2-NH2 3.57Å; E150-R507 PolarHBondContact OE2-NH2 3.17Å; E175-R507 IonicContact OE1-CZ 3.06Å; E175-R507 IonicContact OE1-NH1 2.75Å; E175-R507 PolarHBondContact OE1-NH1 3.12Å; E175-R507 WeakPolarHBondContact OE2-CD 3.3Å; A209-R507 HydrophobicContact CB-CG 3.95Å; Q212-R507 VanDerWaalsContact OE1-CZ 3.26Å; C503-R507 PolarHBondContact O-N 3.11Å; C503-R507 VanDerWaalsContact O-N 3.15Å; P504-R507 VanDerWaalsContact O-CB 3.32Å; P504-R507 WeakPolarHBondContact O-CB 3.47Å; P504-R507 PolarHBondContact O-N 3.17Å; A505-R507 VanDerWaalsContact C-N 3.3Å; A505-R507 PolarHBondContact O-N 3.06Å
508	H	74.3	Confident	82.6	Confident	6 Å²	6	20.2 Å²	20.2	3%	0.028	14%	0.136	C	C	.	.	H	α-helix	trans	-101.9	-23.4	-173	-56	-63.8	0	0	0	115.5	I168 E171 M172 E175 P504 A505 Y506	I168-H508 HydrophobicContact CG2-CB 4.39Å; E171-H508 HydrophobicContact CB-CB 3.79Å; E171-H508 HydrophobicContact CG-CB 3.89Å; E171-H508 IonicContact OE2-ND1 3.94Å; E171-H508 PolarHBondContact OE2-ND1 2.95Å; M172-H508 WeakPolarHBondContact CA-NE2 3.39Å; M172-H508 WeakPolarHBondContact CG-CD2 3.23Å; M172-H508 VanDerWaalsContact CG-NE2 3.27Å; M172-H508 WeakPolarHBondContact CG-NE2 3.43Å; M172-H508 PolarHBondContact N-NE2 2.67Å; E175-H508 IonicContact OE2-CE1 3.43Å; E175-H508 PolarHBondContact OE2-CE1 3.26Å; E175-H508 IonicContact OE2-ND1 3.02Å; E175-H508 IonicContact OE2-NE2 3.7Å; P504-H508 PolarHBondContact O-CD2 2.81Å; A505-H508 PolarHBondContact O-N 2.69Å; A505-H508 VanDerWaalsContact O-N 3.17Å; Y506-H508 PolarHBondContact O-N 2.9Å; Y506-H508 VanDerWaalsContact O-N 3.15Å
509	I	72.6	Confident	82.2	Confident	27 Å²	27	20.1 Å²	20.1	14%	0.138	14%	0.135	C	C	.	.	H	α-helix	trans	-112.4	-2.1	180	75.8	-177	0	0	0	113.8	I168 A505 G513 Y514	I168-I509 HydrophobicContact CD1-CD1 4.14Å; I168-I509 HydrophobicContact CD1-CG2 3.63Å; I168-I509 HydrophobicContact CG1-CG2 3.74Å; I168-I509 HydrophobicContact CG2-CG2 4.02Å; A505-I509 PolarHBondContact O-N 2.74Å; I509-G513 PolarHBondContact O-N 3.05Å; I509-G513 VanDerWaalsContact O-N 3.16Å; I509-Y514 HydrophobicContact CD1-CD2 4.02Å; I509-Y514 HydrophobicContact CD1-CE2 3.66Å; I509-Y514 HydrophobicContact CG1-CD2 4.19Å; I509-Y514 HydrophobicContact CG1-CE2 3.8Å
510	G	75.2	Confident	81.9	Confident	2 Å²	2	19.6 Å²	19.6	2%	0.021	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.8	-154.1	-175.6	0	0	0	0	0	112.9	Y506 Y514	Y506-G510 VanDerWaalsContact CD2-O 3.23Å; Y506-G510 WeakPolarHBondContact CD2-O 3.42Å; Y506-G510 VanDerWaalsContact CE2-C 3.47Å; Y506-G510 WeakPolarHBondContact CE2-O 3.24Å; Y506-G510 WeakPolarHBondContact O-CA 3.36Å; Y506-G510 PolarHBondContact O-N 3.46Å; G510-Y514 WeakPolarHBondContact O-CD2 3.09Å
511	G	72.7	Confident	82.1	Confident	3 Å²	3	19.8 Å²	19.8	3%	0.031	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-48.3	171.7	0	0	0	0	0	113.4	S332 G513 Y514	S332-G511 WeakPolarHBondContact O-CA 3.26Å; G511-G513 PolarHBondContact O-N 3.21Å; G511-G513 VanDerWaalsContact O-N 3.17Å; G511-Y514 WeakPolarHBondContact O-CB 3.47Å; G511-Y514 PolarHBondContact O-N 2.73Å
512	H	74.6	Confident	82.4	Confident	75 Å²	75	19.5 Å²	19.5	35%	0.347	13%	0.131	S	C	.	.	G	3₁₀ helix	trans	-57.9	-33.1	-174	-54	128.9	0	0	0	113.1	D329 P330 H340 Y514 G515	D329-H512 IonicContact OD1-CE1 2.67Å; D329-H512 PolarHBondContact OD1-CE1 3.06Å; D329-H512 VanDerWaalsContact OD1-CE1 3.3Å; D329-H512 IonicContact OD1-NE2 3.7Å; D329-H512 PolarHBondContact OD1-NE2 3.13Å; P330-H512 PolarHBondContact O-NE2 2.71Å; H340-H512 AromaticContact CD2-CE1 3.82Å; H340-H512 AromaticContact CE1-CE1 3.39Å; H340-H512 PolarHBondContact CE1-CE1 2.99Å; H340-H512 AromaticContact CE1-NE2 3.82Å; H340-H512 AromaticContact CG-CE1 3.74Å; H340-H512 AromaticContact ND1-CE1 3.49Å; H340-H512 PolarHBondContact ND1-CE1 3.03Å; H340-H512 AromaticContact NE2-CE1 3.64Å; H512-Y514 PolarHBondContact O-N 2.79Å; H512-G515 PolarHBondContact O-N 3.05Å
513	G	66.5	Low	82.5	Confident	47 Å²	47	17.6 Å²	17.6	49%	0.485	12%	0.119	S	C	.	.	G	3₁₀ helix	trans	-63.8	-7.4	174.4	0	0	0	0	0	115.6	I509 G511	I509-G513 PolarHBondContact O-N 3.05Å; I509-G513 VanDerWaalsContact O-N 3.16Å; G511-G513 PolarHBondContact O-N 3.21Å; G511-G513 VanDerWaalsContact O-N 3.17Å
514	Y	76.6	Confident	82.5	Confident	4 Å²	4	17.1 Å²	17.1	2%	0.016	12%	0.116	C	C	.	.	G	3₁₀ helix	trans	-90.7	-5.5	168.2	-72.6	-91	0	0	0	113.5	Y506 I509 G510 G511 H512 S516 P519 G520 L539 A542	Y506-Y514 HydrophobicContact CD2-CD2 4.28Å; Y506-Y514 AromaticContact CD2-CE2 3.8Å; Y506-Y514 HydrophobicContact CD2-CE2 3.8Å; Y506-Y514 HydrophobicContact CG-CE2 4.43Å; I509-Y514 HydrophobicContact CD1-CD2 4.02Å; I509-Y514 HydrophobicContact CD1-CE2 3.66Å; I509-Y514 HydrophobicContact CG1-CD2 4.19Å; I509-Y514 HydrophobicContact CG1-CE2 3.8Å; G510-Y514 WeakPolarHBondContact O-CD2 3.09Å; G511-Y514 WeakPolarHBondContact O-CB 3.47Å; G511-Y514 PolarHBondContact O-N 2.73Å; H512-Y514 PolarHBondContact O-N 2.79Å; Y514-S516 VanDerWaalsContact O-CB 3.31Å; Y514-S516 WeakPolarHBondContact O-CB 3.37Å; Y514-S516 PolarHBondContact O-N 2.85Å; Y514-P519 HydrophobicContact CD2-CB 4Å; Y514-P519 HydrophobicContact CG-CB 4.23Å; Y514-G520 VanDerWaalsContact CZ-CA 3.42Å; Y514-L539 HydrophobicContact CD1-CD2 4.23Å; Y514-L539 WeakPolarHBondContact O-CD1 3.39Å; Y514-L539 WeakPolarHBondContact O-CD2 3.47Å; Y514-A542 HydrophobicContact CE1-CB 4.41Å
515	G	71.8	Confident	83	Confident	63 Å²	63	16.7 Å²	16.7	65%	0.649	11%	0.113	S	C	*	.			trans	54.1	24.7	179.7	0	0	0	0	0	114.2	H512	H512-G515 PolarHBondContact O-N 3.05Å
516	S	80.1	Confident	83.6	Confident	24 Å²	24	16.9 Å²	16.9	17%	0.168	11%	0.114	C	C	.	.	S	Bend	trans	-151.7	138.1	-164.5	-166	0	0	0	0	112	Y514 Y518 S527	Y514-S516 VanDerWaalsContact O-CB 3.31Å; Y514-S516 WeakPolarHBondContact O-CB 3.37Å; Y514-S516 PolarHBondContact O-N 2.85Å; S516-Y518 CarbonylContact O-C 3.31Å; S516-Y518 PolarHBondContact O-N 3.14Å; S516-Y518 VanDerWaalsContact O-N 3.09Å; S516-S527 VanDerWaalsContact OG-CB 3.27Å; S516-S527 WeakPolarHBondContact OG-CB 3.5Å; S516-S527 PolarHBondContact OG-OG 3.32Å
517	I	85.2	Confident	83.8	Confident	62 Å²	62	17.1 Å²	17.1	32%	0.318	12%	0.116	S	C	.	.	S	Bend	trans	-51.8	-31.7	175.6	-64	163.5	0	0	0	111.8	M296 E299 P519	M296-I517 HydrophobicContact CE-CG2 3.92Å; M296-I517 WeakPolarHBondContact CE-O 3.3Å; E299-I517 HydrophobicContact CB-CG2 3.9Å; E299-I517 HydrophobicContact CG-CD1 4.11Å; E299-I517 HydrophobicContact CG-CG1 4.04Å; E299-I517 HydrophobicContact CG-CG2 3.87Å; E299-I517 WeakPolarHBondContact O-CD1 3.46Å; I517-P519 WeakPolarHBondContact O-CD 3.43Å
518	Y	90.3	Very high	84.2	Confident	8 Å²	8	16.5 Å²	16.5	3%	0.031	11%	0.114	C	C	.	.	S	Bend	trans	-100.8	111	169.5	-61.3	-60.7	0	0	0	109.5	M296 E300 R495 S516 G523 I526 L530	M296-Y518 HydrophobicContact CB-CD1 4.47Å; M296-Y518 HydrophobicContact CB-CE1 3.61Å; M296-Y518 HydrophobicContact CE-CD1 4.4Å; M296-Y518 HydrophobicContact CG-CE1 4.27Å; E300-Y518 HydrophobicContact CG-CE2 4.31Å; E300-Y518 VanDerWaalsContact OE2-CE2 3.26Å; E300-Y518 WeakPolarHBondContact OE2-CE2 3.47Å; E300-Y518 VanDerWaalsContact OE2-CZ 3.29Å; E300-Y518 PolarHBondContact OE2-OH 3.49Å; R495-Y518 PolarHBondContact NH2-OH 3.41Å; S516-Y518 CarbonylContact O-C 3.31Å; S516-Y518 PolarHBondContact O-N 3.14Å; S516-Y518 VanDerWaalsContact O-N 3.09Å; Y518-G523 WeakPolarHBondContact O-CA 3.36Å; Y518-I526 HydrophobicContact CD2-CG2 3.53Å; Y518-I526 HydrophobicContact CE2-CG2 4.33Å; Y518-I526 HydrophobicContact CG-CG2 3.67Å; Y518-L530 HydrophobicContact CE2-CD1 4.16Å
519	P	86	Confident	85.2	Confident	2 Å²	2	18.4 Å²	18.4	1%	0.013	12%	0.121	C	C	.	.			trans	-98	174.3	-179	5	16.4	0	0	0	112.4	M500 Y506 Y514 I517 I522 G523	M500-P519 HydrophobicContact CE-CB 3.78Å; M500-P519 HydrophobicContact CE-CG 3.58Å; Y506-P519 HydrophobicContact CD2-CB 4.37Å; Y506-P519 HydrophobicContact CE2-CB 4.05Å; Y514-P519 HydrophobicContact CD2-CB 4Å; Y514-P519 HydrophobicContact CG-CB 4.23Å; I517-P519 WeakPolarHBondContact O-CD 3.43Å; P519-I522 WeakPolarHBondContact O-CG2 3.22Å; P519-G523 PolarHBondContact O-N 3.28Å
520	G	90.4	Very high	86	Confident	0 Å²	0	18.8 Å²	18.8	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	66.8	-160.6	174.4	0	0	0	0	0	114.4	Y514 I522 G523 A524	Y514-G520 VanDerWaalsContact CZ-CA 3.42Å; G520-I522 VanDerWaalsContact C-N 3.27Å; G520-I522 PolarHBondContact O-N 2.73Å; G520-G523 WeakPolarHBondContact O-CA 3.49Å; G520-G523 PolarHBondContact O-N 2.9Å; G520-G523 VanDerWaalsContact O-N 3.1Å; G520-A524 PolarHBondContact O-N 3.19Å
521	P	95	Very high	86.5	Confident	4 Å²	4	20.7 Å²	20.7	3%	0.026	14%	0.142	C	C	.	.	H	α-helix	trans	-64.8	-24.1	-175.4	-27.3	38.4	0	0	0	115.3	C499 C503 C549 L559 I563	C499-P521 WeakPolarHBondContact O-CD 3.13Å; C499-P521 WeakPolarHBondContact O-CG 3.36Å; C503-P521 HydrophobicContact CB-CG 3.67Å; P521-C549 HydrophobicContact CB-CB 3.86Å; P521-C549 HydrophobicContact CG-CB 3.93Å; P521-L559 HydrophobicContact CB-CD1 4.3Å; P521-I563 HydrophobicContact CB-CD1 4.21Å
522	I	96	Very high	87.3	Confident	8 Å²	8	21.6 Å²	21.6	4%	0.041	15%	0.152	C	C	.	.	H	α-helix	trans	-73.2	-42.4	171.9	-174.4	64.2	0	0	0	110.8	V490 C493 P519 G520 V525 I526 L559	V490-I522 HydrophobicContact CG2-CD1 3.5Å; C493-I522 HydrophobicContact CB-CD1 3.88Å; P519-I522 WeakPolarHBondContact O-CG2 3.22Å; G520-I522 VanDerWaalsContact C-N 3.27Å; G520-I522 PolarHBondContact O-N 2.73Å; I522-V525 PolarHBondContact O-N 3.41Å; I522-I526 WeakPolarHBondContact O-CG2 3.43Å; I522-I526 PolarHBondContact O-N 3.45Å; I522-L559 HydrophobicContact CD1-CD2 4.04Å
523	G	92.9	Very high	88	Confident	0 Å²	0	19.9 Å²	19.9	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-55.8	-49	172.7	0	0	0	0	0	113.7	Y518 P519 G520 V525 I526 S527 P528	Y518-G523 WeakPolarHBondContact O-CA 3.36Å; P519-G523 PolarHBondContact O-N 3.28Å; G520-G523 WeakPolarHBondContact O-CA 3.49Å; G520-G523 PolarHBondContact O-N 2.9Å; G520-G523 VanDerWaalsContact O-N 3.1Å; G523-V525 PolarHBondContact O-N 3.26Å; G523-I526 PolarHBondContact O-N 2.9Å; G523-S527 WeakPolarHBondContact O-CB 3.14Å; G523-S527 PolarHBondContact O-N 3.31Å; G523-S527 PolarHBondContact O-OG 3.27Å; G523-P528 WeakPolarHBondContact O-CD 3.37Å
524	A	92.9	Very high	88.8	Confident	1 Å²	1	22.8 Å²	22.8	1%	0.008	14%	0.142	C	C	.	.	H	α-helix	trans	-62.7	-2.2	177.7	0	0	0	0	0	115.3	G520 L539 I563	G520-A524 PolarHBondContact O-N 3.19Å; A524-L539 HydrophobicContact CB-CB 4.23Å; A524-L539 WeakPolarHBondContact CB-O 3.42Å; A524-I563 HydrophobicContact CB-CD1 3.93Å; A524-I563 HydrophobicContact CB-CG1 4.03Å
525	V	96.5	Very high	88.9	Confident	0 Å²	0	27.5 Å²	27.5	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-113.4	-49.6	169.2	-176.7	0	0	0	0	111.8	F487 V490 I522 G523 L559 L562 I563 H566	F487-V525 HydrophobicContact CD1-CG1 4.08Å; V490-V525 HydrophobicContact CB-CG1 3.92Å; V490-V525 HydrophobicContact CG1-CG1 4.48Å; V490-V525 HydrophobicContact CG2-CB 4.01Å; V490-V525 HydrophobicContact CG2-CG1 3.67Å; I522-V525 PolarHBondContact O-N 3.41Å; G523-V525 PolarHBondContact O-N 3.26Å; V525-L559 HydrophobicContact CG2-CD2 4.08Å; V525-L562 HydrophobicContact CB-CB 4.45Å; V525-L562 HydrophobicContact CG1-CB 3.77Å; V525-L562 HydrophobicContact CG1-CD1 3.94Å; V525-L562 HydrophobicContact CG1-CG 4.48Å; V525-L562 HydrophobicContact CG2-CB 3.73Å; V525-I563 HydrophobicContact CG2-CD1 4.43Å; V525-I563 HydrophobicContact CG2-CG1 3.61Å; V525-H566 WeakPolarHBondContact CA-NE2 3.39Å; V525-H566 PolarHBondContact O-NE2 2.65Å
526	I	94.7	Very high	89.6	Confident	5 Å²	5	26.4 Å²	26.4	3%	0.026	15%	0.145	C	C	.	.	H	α-helix	trans	-75.5	-41.3	-171.2	-164.4	63.2	0	0	0	112.4	V490 Y518 I522 G523 R529 L530	V490-I526 HydrophobicContact CG1-CD1 3.88Å; V490-I526 HydrophobicContact CG2-CB 4.34Å; V490-I526 HydrophobicContact CG2-CD1 4.45Å; Y518-I526 HydrophobicContact CD2-CG2 3.53Å; Y518-I526 HydrophobicContact CE2-CG2 4.33Å; Y518-I526 HydrophobicContact CG-CG2 3.67Å; I522-I526 WeakPolarHBondContact O-CG2 3.43Å; I522-I526 PolarHBondContact O-N 3.45Å; G523-I526 PolarHBondContact O-N 2.9Å; I526-R529 WeakPolarHBondContact O-CB 3.48Å; I526-R529 PolarHBondContact O-N 2.97Å; I526-L530 HydrophobicContact CD1-CD1 4.11Å; I526-L530 HydrophobicContact CD1-CD2 4.23Å; I526-L530 HydrophobicContact CD1-CG 4.07Å; I526-L530 HydrophobicContact CG1-CD1 3.66Å; I526-L530 HydrophobicContact CG1-CG 3.96Å; I526-L530 PolarHBondContact O-N 3.15Å
527	S	92	Very high	89.8	Confident	5 Å²	5	29.3 Å²	29.3	4%	0.035	15%	0.154	C	C	.	.	H	α-helix	trans	-66.5	-42.7	-173.2	-48.9	0	0	0	0	113.3	S516 G523 R529 L530 G531 F536	S516-S527 VanDerWaalsContact OG-CB 3.27Å; S516-S527 WeakPolarHBondContact OG-CB 3.5Å; S516-S527 PolarHBondContact OG-OG 3.32Å; G523-S527 WeakPolarHBondContact O-CB 3.14Å; G523-S527 PolarHBondContact O-N 3.31Å; G523-S527 PolarHBondContact O-OG 3.27Å; S527-R529 PolarHBondContact O-N 3.14Å; S527-R529 VanDerWaalsContact O-N 3.14Å; S527-L530 PolarHBondContact O-N 2.85Å; S527-G531 PolarHBondContact O-N 2.77Å; S527-F536 WeakPolarHBondContact O-CD2 3.19Å
528	P	92.4	Very high	89.6	Confident	1 Å²	1	30.3 Å²	30.3	1%	0.006	16%	0.16	C	C	.	.	H	α-helix	trans	-66.9	-8.3	171.8	-15.3	28.3	0	0	0	114.7	G523 G532 Y533 F536 P540	G523-P528 WeakPolarHBondContact O-CD 3.37Å; P528-G532 VanDerWaalsContact O-CA 3.3Å; P528-G532 WeakPolarHBondContact O-CA 3.35Å; P528-Y533 HydrophobicContact CB-CD1 4.17Å; P528-Y533 HydrophobicContact CB-CE1 4.07Å; P528-F536 HydrophobicContact CB-CB 4.16Å; P528-F536 HydrophobicContact CG-CB 3.87Å; P528-P540 HydrophobicContact CG-CG 4Å
529	R	94.1	Very high	89.5	Confident	46 Å²	46	30.7 Å²	30.7	17%	0.174	16%	0.163	C	C	.	.	H	α-helix	trans	-92.9	-44.6	169.3	-73.9	-58.7	-67.7	110.3	-14.2	113.3	E481 V482 F487 I526 S527	E481-R529 PolarHBondContact O-NH2 2.77Å; E481-R529 IonicContact OE2-CZ 3.37Å; E481-R529 IonicContact OE2-NH1 3.6Å; E481-R529 PolarHBondContact OE2-NH1 3.27Å; E481-R529 IonicContact OE2-NH2 2.75Å; E481-R529 PolarHBondContact OE2-NH2 3.02Å; V482-R529 HydrophobicContact CG2-CB 3.58Å; V482-R529 HydrophobicContact CG2-CG 3.92Å; F487-R529 HydrophobicContact CG-CG 4.39Å; I526-R529 WeakPolarHBondContact O-CB 3.48Å; I526-R529 PolarHBondContact O-N 2.97Å; S527-R529 PolarHBondContact O-N 3.14Å; S527-R529 VanDerWaalsContact O-N 3.14Å
530	L	89.5	Confident	89.7	Confident	35 Å²	35	30.6 Å²	30.6	18%	0.183	16%	0.162	C	C	.	.	H	α-helix	trans	-79.6	-41.5	-176.4	-54	-178.7	0	0	0	112.5	N477 R479 Y518 I526 S527	N477-L530 WeakPolarHBondContact O-CD2 3.46Å; R479-L530 HydrophobicContact CG-CD2 4.33Å; Y518-L530 HydrophobicContact CE2-CD1 4.16Å; I526-L530 HydrophobicContact CD1-CD1 4.11Å; I526-L530 HydrophobicContact CD1-CD2 4.23Å; I526-L530 HydrophobicContact CD1-CG 4.07Å; I526-L530 HydrophobicContact CG1-CD1 3.66Å; I526-L530 HydrophobicContact CG1-CG 3.96Å; I526-L530 PolarHBondContact O-N 3.15Å; S527-L530 PolarHBondContact O-N 2.85Å
531	G	86.4	Confident	89.4	Confident	41 Å²	41	30.9 Å²	30.9	42%	0.423	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.3	-4.6	176	0	0	0	0	0	114.7	S527	S527-G531 PolarHBondContact O-N 2.77Å
532	G	89.6	Confident	88.8	Confident	23 Å²	23	31 Å²	31	24%	0.237	17%	0.165	C	C	.	.			trans	77.9	-176.2	175.3	0	0	0	0	0	115.5	P528	P528-G532 VanDerWaalsContact O-CA 3.3Å; P528-G532 WeakPolarHBondContact O-CA 3.35Å
533	Y	89.3	Confident	88.4	Confident	39 Å²	39	31 Å²	31	15%	0.153	17%	0.166	C	C	.	.	H	α-helix	trans	-88.3	-7	-172	-66.4	-78.6	0	0	0	115.1	P528 D535 K537 H566 V569 M570 I575	P528-Y533 HydrophobicContact CB-CD1 4.17Å; P528-Y533 HydrophobicContact CB-CE1 4.07Å; Y533-D535 VanDerWaalsContact C-N 3.3Å; Y533-D535 PolarHBondContact O-N 2.87Å; Y533-K537 VanDerWaalsContact O-CB 3.32Å; Y533-K537 WeakPolarHBondContact O-CB 3.46Å; Y533-K537 PolarHBondContact O-N 3.18Å; Y533-H566 HydrophobicContact CE1-CB 4.36Å; Y533-H566 AromaticContact CE1-ND1 3.6Å; Y533-H566 AromaticContact CZ-ND1 3.52Å; Y533-H566 PolarHBondContact OH-ND1 3.33Å; Y533-V569 HydrophobicContact CE2-CG1 4.07Å; Y533-V569 WeakPolarHBondContact OH-CG1 3.07Å; Y533-M570 HydrophobicContact CD1-CG 3.5Å; Y533-M570 VanDerWaalsContact CD1-CG 3.5Å; Y533-M570 HydrophobicContact CD1-SD 3.54Å; Y533-M570 VanDerWaalsContact CD1-SD 3.54Å; Y533-M570 HydrophobicContact CE1-CE 4.49Å; Y533-M570 HydrophobicContact CE1-CG 3.43Å; Y533-M570 VanDerWaalsContact CE1-CG 3.43Å; Y533-M570 HydrophobicContact CE1-SD 3.78Å; Y533-M570 HydrophobicContact CG-CG 4.28Å; Y533-I575 HydrophobicContact CD2-CD1 4.25Å; Y533-I575 HydrophobicContact CG-CD1 4.18Å
534	K	83.5	Confident	88	Confident	107 Å²	107	31.3 Å²	31.3	47%	0.465	17%	0.167	S	C	.	.	H	α-helix	trans	-59.1	-48.7	177.7	-176.5	-178.4	173.8	177.3	0	109.7	K537 M628 E629	K534-K537 PolarHBondContact O-NZ 2.87Å; K534-M628 VanDerWaalsContact NZ-C 3.34Å; K534-M628 PolarHBondContact NZ-O 3.37Å; K534-E629 VanDerWaalsContact NZ-CB 3.28Å; K534-E629 PolarHBondContact NZ-O 2.84Å
535	D	78.8	Confident	87.9	Confident	104 Å²	104	31.5 Å²	31.5	56%	0.556	17%	0.168	S	C	*	.	H	α-helix	trans	-102.1	-27.6	-169.9	-43.7	-59.2	0	0	0	112.4	Y533	Y533-D535 VanDerWaalsContact C-N 3.3Å; Y533-D535 PolarHBondContact O-N 2.87Å
536	F	86.5	Confident	87.6	Confident	40 Å²	40	31.9 Å²	31.9	18%	0.175	17%	0.171	C	C	.	.	H	α-helix	trans	-111.7	12.8	-173.7	-56.1	-62.4	0	0	0	116.2	S527 P528 D538 L539 P540	S527-F536 WeakPolarHBondContact O-CD2 3.19Å; P528-F536 HydrophobicContact CB-CB 4.16Å; P528-F536 HydrophobicContact CG-CB 3.87Å; F536-D538 PolarHBondContact O-N 3.29Å; F536-D538 VanDerWaalsContact O-N 3.12Å; F536-L539 HydrophobicContact CB-CD1 4.18Å; F536-L539 HydrophobicContact CB-CG 4.34Å; F536-L539 HydrophobicContact CD1-CD1 3.66Å; F536-L539 HydrophobicContact CD1-CG 4.31Å; F536-L539 HydrophobicContact CG-CD1 4.28Å; F536-L539 PolarHBondContact O-N 2.78Å; F536-P540 WeakPolarHBondContact O-CD 3.33Å
537	K	83.9	Confident	87.6	Confident	84 Å²	84	32.2 Å²	32.2	37%	0.365	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-27.8	178.4	65.1	-153	176	-148.9	0	115.3	Y533 K534 P540 M570	Y533-K537 VanDerWaalsContact O-CB 3.32Å; Y533-K537 WeakPolarHBondContact O-CB 3.46Å; Y533-K537 PolarHBondContact O-N 3.18Å; K534-K537 PolarHBondContact O-NZ 2.87Å; K537-P540 WeakPolarHBondContact O-CD 3.25Å; K537-M570 HydrophobicContact CB-SD 3.76Å; K537-M570 WeakPolarHBondContact O-CE 3.29Å; K537-M570 VanDerWaalsContact O-SD 3.37Å
538	D	81.5	Confident	87.6	Confident	83 Å²	83	32 Å²	32	44%	0.444	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88	-21.7	-173.7	-63.3	-63.1	0	0	0	112.8	M165 F536 Y541 A542	M165-D538 HydrophobicContact CE-CB 4.41Å; F536-D538 PolarHBondContact O-N 3.29Å; F536-D538 VanDerWaalsContact O-N 3.12Å; D538-Y541 CarbonylContact O-C 3.58Å; D538-Y541 WeakPolarHBondContact O-CA 3.29Å; D538-Y541 WeakPolarHBondContact O-CB 3.49Å; D538-Y541 PolarHBondContact O-N 3.07Å; D538-A542 PolarHBondContact O-N 3.39Å
539	L	87.5	Confident	87.8	Confident	16 Å²	16	32.3 Å²	32.3	8%	0.084	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-40.4	179.3	-49.5	-171.1	0	0	0	113.3	Y514 A524 F536 Y541 A542	Y514-L539 HydrophobicContact CD1-CD2 4.23Å; Y514-L539 WeakPolarHBondContact O-CD1 3.39Å; Y514-L539 WeakPolarHBondContact O-CD2 3.47Å; A524-L539 HydrophobicContact CB-CB 4.23Å; A524-L539 WeakPolarHBondContact CB-O 3.42Å; F536-L539 HydrophobicContact CB-CD1 4.18Å; F536-L539 HydrophobicContact CB-CG 4.34Å; F536-L539 HydrophobicContact CD1-CD1 3.66Å; F536-L539 HydrophobicContact CD1-CG 4.31Å; F536-L539 HydrophobicContact CG-CD1 4.28Å; F536-L539 PolarHBondContact O-N 2.78Å; L539-Y541 PolarHBondContact O-N 3.37Å; L539-A542 WeakPolarHBondContact O-CB 3.39Å; L539-A542 PolarHBondContact O-N 3.02Å
540	P	89.7	Confident	87.8	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-27.1	169.9	-26.8	35.3	0	0	0	113.6	P528 F536 K537 I563 H566 R567 M570	P528-P540 HydrophobicContact CG-CG 4Å; F536-P540 WeakPolarHBondContact O-CD 3.33Å; K537-P540 WeakPolarHBondContact O-CD 3.25Å; P540-I563 HydrophobicContact CB-CG2 4.47Å; P540-I563 VanDerWaalsContact O-CG2 3.22Å; P540-I563 WeakPolarHBondContact O-CG2 3.35Å; P540-H566 HydrophobicContact CB-CB 3.66Å; P540-H566 HydrophobicContact CG-CB 3.54Å; P540-R567 HydrophobicContact CB-CG 4.19Å; P540-R567 PolarHBondContact O-NE 2.8Å; P540-R567 PolarHBondContact O-NH2 3.08Å; P540-M570 HydrophobicContact CB-CE 3.7Å; P540-M570 HydrophobicContact CG-CE 3.81Å
541	Y	84.9	Confident	88	Confident	6 Å²	6	33 Å²	33	2%	0.024	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-19.9	174.5	-69.6	-69.1	0	0	0	113.2	S32 F161 K164 D538 L539 C543 R567 M570 T576	S32-Y541 PolarHBondContact O-OH 3.11Å; F161-Y541 WeakPolarHBondContact CD2-O 3.38Å; K164-Y541 HydrophobicContact CD-CD1 3.56Å; K164-Y541 HydrophobicContact CD-CD2 4.32Å; K164-Y541 HydrophobicContact CD-CE1 4.12Å; K164-Y541 HydrophobicContact CD-CG 3.69Å; K164-Y541 VanDerWaalsContact NZ-CE1 3.32Å; D538-Y541 CarbonylContact O-C 3.58Å; D538-Y541 WeakPolarHBondContact O-CA 3.29Å; D538-Y541 WeakPolarHBondContact O-CB 3.49Å; D538-Y541 PolarHBondContact O-N 3.07Å; L539-Y541 PolarHBondContact O-N 3.37Å; Y541-C543 PolarHBondContact O-N 3.4Å; Y541-R567 HydrophobicContact CD1-CG 4.09Å; Y541-R567 HydrophobicContact CE1-CB 4.17Å; Y541-R567 HydrophobicContact CE1-CG 3.66Å; Y541-R567 PolarHBondContact O-NH2 2.73Å; Y541-M570 HydrophobicContact CD2-CE 3.97Å; Y541-M570 HydrophobicContact CE2-CE 3.42Å; Y541-M570 VanDerWaalsContact CE2-CE 3.42Å; Y541-M570 HydrophobicContact CE2-SD 4.38Å; Y541-T576 HydrophobicContact CE2-CG2 4.4Å; Y541-T576 WeakPolarHBondContact OH-CG2 3.38Å
542	A	82	Confident	88.4	Confident	7 Å²	7	32.2 Å²	32.2	6%	0.058	17%	0.168	C	C	.	.	S	Bend	trans	-72.3	39.4	171.4	0	0	0	0	0	114.2	M165 Y514 D538 L539	M165-A542 HydrophobicContact CE-CB 4.14Å; Y514-A542 HydrophobicContact CE1-CB 4.41Å; D538-A542 PolarHBondContact O-N 3.39Å; L539-A542 WeakPolarHBondContact O-CB 3.39Å; L539-A542 PolarHBondContact O-N 3.02Å
543	C	88.9	Confident	88.8	Confident	9 Å²	9	31.5 Å²	31.5	6%	0.061	16%	0.159	C	C	.	.			trans	-145	131.7	-179.9	-174.9	0	0	0	0	111.7	F161 Y541 L545 I563 R567	F161-C543 WeakPolarHBondContact CB-O 3.18Å; F161-C543 VanDerWaalsContact CD2-C 3.47Å; Y541-C543 PolarHBondContact O-N 3.4Å; C543-L545 PolarHBondContact O-N 3.44Å; C543-L545 PolarHBondContact SG-N 3.17Å; C543-L545 VanDerWaalsContact SG-N 3.38Å; C543-I563 HydrophobicContact CB-CD1 4.2Å; C543-I563 HydrophobicContact CB-CG2 3.82Å; C543-R567 PolarHBondContact O-NH2 3.45Å
544	S	84.4	Confident	89.2	Confident	5 Å²	5	29.7 Å²	29.7	4%	0.035	15%	0.152	C	C	.	.			trans	-78.9	3.2	175.2	59.7	0	0	0	0	114.4	C154 G158 C546	C154-S544 PolarHBondContact SG-OG 3.41Å; C154-S544 VanDerWaalsContact SG-OG 3.4Å; G158-S544 WeakPolarHBondContact CA-O 3.49Å; S544-C546 PolarHBondContact O-N 3.13Å; S544-C546 WeakPolarHBondContact OG-CB 3.36Å; S544-C546 PolarHBondContact OG-SG 2.81Å
545	L	89.6	Confident	89.9	Confident	6 Å²	6	24.6 Å²	24.6	3%	0.031	13%	0.13	C	C	.	.			trans	50.4	37.1	-175	-60.2	175.3	0	0	0	113	N31 K126 C543 T547 S560 I563 L564	N31-L545 HydrophobicContact CB-CD1 3.99Å; K126-L545 WeakPolarHBondContact CE-O 3.24Å; K126-L545 PolarHBondContact NZ-O 2.84Å; C543-L545 PolarHBondContact O-N 3.44Å; C543-L545 PolarHBondContact SG-N 3.17Å; C543-L545 VanDerWaalsContact SG-N 3.38Å; L545-T547 PolarHBondContact O-N 2.84Å; L545-S560 WeakPolarHBondContact CD2-O 3.4Å; L545-I563 HydrophobicContact CD2-CB 4.35Å; L545-I563 HydrophobicContact CD2-CG2 3.94Å; L545-L564 HydrophobicContact CD1-CD1 3.99Å; L545-L564 HydrophobicContact CD2-CB 4.19Å
546	C	90	Very high	90.8	Very high	8 Å²	8	22.9 Å²	22.9	5%	0.054	12%	0.116	C	C	.	.			trans	-89.9	13.5	-173	67	0	0	0	0	115.5	C121 R125 C154 S544 A548	C121-C546 HydrophobicContact CB-CB 4.07Å; R125-C546 WeakPolarHBondContact CD-O 3.35Å; C154-C546 HydrophobicContact CB-CB 3.83Å; S544-C546 PolarHBondContact O-N 3.13Å; S544-C546 WeakPolarHBondContact OG-CB 3.36Å; S544-C546 PolarHBondContact OG-SG 2.81Å; C546-A548 PolarHBondContact O-N 3.28Å
547	T	94.4	Very high	91.3	Very high	11 Å²	11	21 Å²	21	7%	0.067	11%	0.108	C	C	.	.			trans	51.6	7.7	175.5	54.5	0	0	0	0	118.1	R125 K126 L545 C549 D550 N551 S560	R125-T547 VanDerWaalsContact CB-OG1 3.27Å; R125-T547 WeakPolarHBondContact CB-OG1 3.42Å; K126-T547 HydrophobicContact CD-CG2 4.36Å; K126-T547 HydrophobicContact CG-CG2 3.97Å; K126-T547 WeakPolarHBondContact CG-OG1 3.43Å; L545-T547 PolarHBondContact O-N 2.84Å; T547-C549 VanDerWaalsContact C-N 3.32Å; T547-C549 PolarHBondContact O-N 3.17Å; T547-D550 PolarHBondContact O-N 3.15Å; T547-N551 PolarHBondContact O-N 2.9Å; T547-N551 VanDerWaalsContact O-N 3.12Å; T547-N551 PolarHBondContact O-OD1 3.22Å; T547-S560 WeakPolarHBondContact CG2-OG 3.23Å
548	A	92.7	Very high	91.9	Very high	2 Å²	2	18.2 Å²	18.2	2%	0.017	10%	0.098	C	C	.	.	H	α-helix	trans	-57.9	-43.3	178.8	0	0	0	0	0	112.5	T502 C546 N551 V552	T502-A548 HydrophobicContact CG2-CB 3.93Å; T502-A548 WeakPolarHBondContact CG2-O 3.4Å; C546-A548 PolarHBondContact O-N 3.28Å; A548-N551 PolarHBondContact O-N 3Å; A548-V552 PolarHBondContact O-N 3.16Å
549	C	96	Very high	92.7	Very high	7 Å²	7	14.4 Å²	14.4	5%	0.047	8%	0.078	C	C	.	.	H	α-helix	trans	-65	-43.2	179.8	41.1	0	0	0	0	113.2	C499 T502 P521 T547 N551 V552 C553 L559	C499-C549 HydrophobicContact CB-CB 3.74Å; T502-C549 HydrophobicContact CG2-CB 4.37Å; P521-C549 HydrophobicContact CB-CB 3.86Å; P521-C549 HydrophobicContact CG-CB 3.93Å; T547-C549 VanDerWaalsContact C-N 3.32Å; T547-C549 PolarHBondContact O-N 3.17Å; C549-N551 VanDerWaalsContact C-N 3.31Å; C549-N551 PolarHBondContact O-N 3.17Å; C549-V552 PolarHBondContact O-N 3.39Å; C549-C553 WeakPolarHBondContact O-CB 3.12Å; C549-C553 PolarHBondContact O-N 3.17Å; C549-C553 VanDerWaalsContact O-N 3.13Å; C549-L559 HydrophobicContact CB-CB 4.49Å; C549-L559 HydrophobicContact CB-CD1 4.03Å
550	D	95.8	Very high	93.1	Very high	20 Å²	20	14.1 Å²	14.1	11%	0.107	8%	0.077	C	C	.	.	H	α-helix	trans	-57.2	-45	173.5	-50.9	38.6	0	0	0	110.4	R233 T547 V552 C553 S560	R233-D550 PolarHBondContact NH2-O 3.15Å; T547-D550 PolarHBondContact O-N 3.15Å; D550-V552 PolarHBondContact O-N 3.47Å; D550-C553 PolarHBondContact O-N 3.09Å; D550-S560 VanDerWaalsContact CG-OG 3.28Å; D550-S560 WeakPolarHBondContact OD1-CB 3.2Å; D550-S560 PolarHBondContact OD1-N 3.43Å; D550-S560 PolarHBondContact OD1-OG 3.09Å; D550-S560 WeakPolarHBondContact OD2-CB 3.44Å; D550-S560 PolarHBondContact OD2-N 3.23Å; D550-S560 PolarHBondContact OD2-OG 3.37Å
551	N	92.9	Very high	93.3	Very high	74 Å²	74	19.8 Å²	19.8	40%	0.396	10%	0.102	S	C	.	.	H	α-helix	trans	-69.1	-30.7	-176.2	-72	18.5	0	0	0	113.5	R233 T547 A548 C549	R233-N551 VanDerWaalsContact CZ-O 3.28Å; R233-N551 PolarHBondContact NH1-O 2.94Å; R233-N551 PolarHBondContact NH2-O 2.91Å; R233-N551 VanDerWaalsContact NH2-O 3.11Å; T547-N551 PolarHBondContact O-N 2.9Å; T547-N551 VanDerWaalsContact O-N 3.12Å; T547-N551 PolarHBondContact O-OD1 3.22Å; A548-N551 PolarHBondContact O-N 3Å; C549-N551 VanDerWaalsContact C-N 3.31Å; C549-N551 PolarHBondContact O-N 3.17Å
552	V	94.6	Very high	93.9	Very high	25 Å²	25	20 Å²	20	15%	0.152	10%	0.104	C	C	.	.	H	α-helix	trans	-93	-13.4	178.2	-54.1	0	0	0	0	114.6	R219 A498 T502 A548 C549 D550 P554	R219-V552 PolarHBondContact NH2-O 3.36Å; R219-V552 VanDerWaalsContact NH2-O 3.08Å; A498-V552 HydrophobicContact CB-CG2 4.18Å; A498-V552 WeakPolarHBondContact O-CG2 2.98Å; T502-V552 HydrophobicContact CG2-CB 4.44Å; T502-V552 HydrophobicContact CG2-CG1 4.09Å; T502-V552 HydrophobicContact CG2-CG2 3.48Å; T502-V552 VanDerWaalsContact CG2-CG2 3.48Å; A548-V552 PolarHBondContact O-N 3.16Å; C549-V552 PolarHBondContact O-N 3.39Å; D550-V552 PolarHBondContact O-N 3.47Å; V552-P554 WeakPolarHBondContact O-CD 3.29Å
553	C	97.8	Very high	94.6	Very high	8 Å²	8	19.7 Å²	19.7	5%	0.054	10%	0.101	C	C	.	.			trans	-63.2	118.7	-170.5	-174	0	0	0	0	111.9	R233 C549 D550 V555 R556 I557	R233-C553 VanDerWaalsContact CZ-O 3.28Å; R233-C553 PolarHBondContact NE-O 3.47Å; R233-C553 PolarHBondContact NH2-O 2.96Å; C549-C553 WeakPolarHBondContact O-CB 3.12Å; C549-C553 PolarHBondContact O-N 3.17Å; C549-C553 VanDerWaalsContact O-N 3.13Å; D550-C553 PolarHBondContact O-N 3.09Å; C553-V555 PolarHBondContact O-N 3.35Å; C553-V555 VanDerWaalsContact O-N 3.15Å; C553-R556 PolarHBondContact O-N 2.88Å; C553-I557 PolarHBondContact SG-N 2.73Å
554	P	97.5	Very high	94.8	Very high	1 Å²	1	20.7 Å²	20.7	1%	0.006	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-16.9	-176.3	24.3	-33.8	0	0	0	114.5	W229 R233 M438 S442 I494 C496 V552	W229-P554 HydrophobicContact CH2-CB 4.49Å; W229-P554 HydrophobicContact CZ2-CB 4.47Å; R233-P554 VanDerWaalsContact CA-O 3.32Å; R233-P554 WeakPolarHBondContact CA-O 3.49Å; R233-P554 WeakPolarHBondContact CB-O 3.44Å; M438-P554 HydrophobicContact CB-CB 4.08Å; M438-P554 HydrophobicContact CE-CB 3.91Å; S442-P554 WeakPolarHBondContact OG-CG 3.33Å; I494-P554 HydrophobicContact CD1-CB 4.08Å; I494-P554 HydrophobicContact CD1-CG 3.6Å; I494-P554 HydrophobicContact CG1-CG 4.01Å; C496-P554 VanDerWaalsContact SG-CG 3.53Å; V552-P554 WeakPolarHBondContact O-CD 3.29Å
555	V	98	Very high	95.3	Very high	1 Å²	1	23.8 Å²	23.8	1%	0.006	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.3	36	180	-70.8	0	0	0	0	111.8	A236 R240 L435 R492 I494 C553 I557	A236-V555 HydrophobicContact CB-CG1 3.84Å; A236-V555 WeakPolarHBondContact O-CG1 3.46Å; R240-V555 HydrophobicContact CG-CG1 4.31Å; L435-V555 HydrophobicContact CD2-CG1 4.49Å; R492-V555 HydrophobicContact CB-CB 4.41Å; R492-V555 HydrophobicContact CB-CG2 4.27Å; I494-V555 HydrophobicContact CD1-CG1 4.39Å; I494-V555 HydrophobicContact CG2-CG1 3.71Å; I494-V555 HydrophobicContact CG2-CG2 4.15Å; C553-V555 PolarHBondContact O-N 3.35Å; C553-V555 VanDerWaalsContact O-N 3.15Å; V555-I557 HydrophobicContact CG2-CD1 4.08Å; V555-I557 HydrophobicContact CG2-CG1 4.12Å; V555-I557 PolarHBondContact O-N 3.41Å
556	R	97.6	Very high	95.5	Very high	68 Å²	68	23.5 Å²	23.5	26%	0.257	12%	0.115	S	C	.	.			trans	46	27.5	171.3	-62.4	-156	177.9	-71.4	4.1	118	E230 R233 D234 A237 R492 C553 P558	E230-R556 PolarHBondContact O-NH2 2.96Å; E230-R556 IonicContact OE2-CZ 3.48Å; E230-R556 VanDerWaalsContact OE2-CZ 3.24Å; E230-R556 IonicContact OE2-NH1 3.85Å; E230-R556 PolarHBondContact OE2-NH1 3.11Å; E230-R556 IonicContact OE2-NH2 3.28Å; E230-R556 PolarHBondContact OE2-NH2 3.48Å; R233-R556 HydrophobicContact CB-CG 4Å; D234-R556 WeakPolarHBondContact OD1-CD 3.32Å; D234-R556 IonicContact OD1-CZ 3.84Å; D234-R556 IonicContact OD1-NE 2.76Å; D234-R556 PolarHBondContact OD1-NE 2.95Å; D234-R556 IonicContact OD1-NH2 3.73Å; D234-R556 IonicContact OD2-CZ 3.87Å; D234-R556 IonicContact OD2-NE 3.38Å; D234-R556 PolarHBondContact OD2-NE 2.77Å; D234-R556 IonicContact OD2-NH2 3.5Å; D234-R556 PolarHBondContact OD2-NH2 2.83Å; A237-R556 HydrophobicContact CB-CB 4.18Å; A237-R556 HydrophobicContact CB-CG 4.31Å; R492-R556 PolarHBondContact NH2-O 3.42Å; C553-R556 PolarHBondContact O-N 2.88Å; R556-P558 WeakPolarHBondContact O-CD 3.37Å
557	I	98.3	Very high	95.7	Very high	1 Å²	1	23.1 Å²	23.1	1%	0.005	11%	0.112	C	C	.	.			trans	-67.1	123.3	179.2	-51.9	176.6	0	0	0	110	D489 R492 C493 C553 V555 L559 L562	D489-I557 HydrophobicContact CB-CG2 4.42Å; D489-I557 WeakPolarHBondContact O-CG1 3.42Å; R492-I557 HydrophobicContact CB-CD1 4.11Å; R492-I557 HydrophobicContact CB-CG1 4.04Å; C493-I557 HydrophobicContact CB-CD1 3.66Å; C553-I557 PolarHBondContact SG-N 2.73Å; V555-I557 HydrophobicContact CG2-CD1 4.08Å; V555-I557 HydrophobicContact CG2-CG1 4.12Å; V555-I557 PolarHBondContact O-N 3.41Å; I557-L559 HydrophobicContact CB-CD2 4.38Å; I557-L559 HydrophobicContact CB-CG 4.12Å; I557-L559 HydrophobicContact CG2-CD2 3.62Å; I557-L559 HydrophobicContact CG2-CG 3.76Å; I557-L559 PolarHBondContact O-N 3.43Å; I557-L562 HydrophobicContact CG2-CD1 3.92Å
558	P	96.7	Very high	95.6	Very high	25 Å²	25	25.1 Å²	25.1	16%	0.162	12%	0.119	C	C	.	.			trans	-82	60	-179.4	35.6	-36.4	0	0	0	110.7	D489 R556 S560 K561 L562	D489-P558 WeakPolarHBondContact OD2-CD 3.4Å; D489-P558 WeakPolarHBondContact OD2-CG 3.23Å; R556-P558 WeakPolarHBondContact O-CD 3.37Å; P558-S560 VanDerWaalsContact C-N 3.26Å; P558-S560 PolarHBondContact O-N 3.06Å; P558-S560 VanDerWaalsContact O-N 3.15Å; P558-K561 HydrophobicContact CB-CB 4.17Å; P558-K561 HydrophobicContact CB-CD 3.94Å; P558-K561 HydrophobicContact CB-CG 4.06Å; P558-K561 WeakPolarHBondContact O-CA 3.27Å; P558-K561 WeakPolarHBondContact O-CB 3.46Å; P558-K561 PolarHBondContact O-N 3.04Å; P558-L562 HydrophobicContact CG-CG 4.47Å; P558-L562 PolarHBondContact O-N 3.27Å; P558-L562 VanDerWaalsContact O-N 3.12Å
559	L	97.7	Very high	95.6	Very high	2 Å²	2	25.9 Å²	25.9	1%	0.01	12%	0.123	C	C	.	.	H	α-helix	trans	-51.7	-41.4	-170.2	-71.6	167.7	0	0	0	112.6	C499 P521 I522 V525 C549 I557 K561 L562 I563	C499-L559 HydrophobicContact CB-CD1 3.53Å; P521-L559 HydrophobicContact CB-CD1 4.3Å; I522-L559 HydrophobicContact CD1-CD2 4.04Å; V525-L559 HydrophobicContact CG2-CD2 4.08Å; C549-L559 HydrophobicContact CB-CB 4.49Å; C549-L559 HydrophobicContact CB-CD1 4.03Å; I557-L559 HydrophobicContact CB-CD2 4.38Å; I557-L559 HydrophobicContact CB-CG 4.12Å; I557-L559 HydrophobicContact CG2-CD2 3.62Å; I557-L559 HydrophobicContact CG2-CG 3.76Å; I557-L559 PolarHBondContact O-N 3.43Å; L559-K561 VanDerWaalsContact C-N 3.34Å; L559-K561 PolarHBondContact O-N 3.23Å; L559-L562 PolarHBondContact O-N 2.88Å; L559-I563 WeakPolarHBondContact O-CB 3.28Å; L559-I563 VanDerWaalsContact O-CG1 3.26Å; L559-I563 WeakPolarHBondContact O-CG1 3.32Å; L559-I563 PolarHBondContact O-N 3.38Å
560	S	94.9	Very high	95.4	Very high	10 Å²	10	25.7 Å²	25.7	7%	0.07	12%	0.121	C	C	.	.	H	α-helix	trans	-64.5	-33.7	176.9	75	0	0	0	0	113.9	L545 T547 D550 P558 L564	L545-S560 WeakPolarHBondContact CD2-O 3.4Å; T547-S560 WeakPolarHBondContact CG2-OG 3.23Å; D550-S560 VanDerWaalsContact CG-OG 3.28Å; D550-S560 WeakPolarHBondContact OD1-CB 3.2Å; D550-S560 PolarHBondContact OD1-N 3.43Å; D550-S560 PolarHBondContact OD1-OG 3.09Å; D550-S560 WeakPolarHBondContact OD2-CB 3.44Å; D550-S560 PolarHBondContact OD2-N 3.23Å; D550-S560 PolarHBondContact OD2-OG 3.37Å; P558-S560 VanDerWaalsContact C-N 3.26Å; P558-S560 PolarHBondContact O-N 3.06Å; P558-S560 VanDerWaalsContact O-N 3.15Å; S560-L564 WeakPolarHBondContact O-CB 3.26Å; S560-L564 PolarHBondContact O-N 2.89Å
561	K	94.7	Very high	95.1	Very high	120 Å²	120	25.4 Å²	25.4	52%	0.522	12%	0.122	S	C	.	.	H	α-helix	trans	-70.2	-40.8	175	-58.1	-171.7	-172.2	175.8	0	110.9	P558 L559 L564 R565	P558-K561 HydrophobicContact CB-CB 4.17Å; P558-K561 HydrophobicContact CB-CD 3.94Å; P558-K561 HydrophobicContact CB-CG 4.06Å; P558-K561 WeakPolarHBondContact O-CA 3.27Å; P558-K561 WeakPolarHBondContact O-CB 3.46Å; P558-K561 PolarHBondContact O-N 3.04Å; L559-K561 VanDerWaalsContact C-N 3.34Å; L559-K561 PolarHBondContact O-N 3.23Å; K561-L564 PolarHBondContact O-N 2.94Å; K561-R565 PolarHBondContact O-N 3.44Å
562	L	97.1	Very high	95	Very high	11 Å²	11	25.3 Å²	25.3	6%	0.058	12%	0.119	C	C	.	.	H	α-helix	trans	-65.7	-43.5	176.7	-58.9	-178.6	0	0	0	111.5	F487 D489 V490 V525 I557 P558 L559 L564 R565 H566	F487-L562 HydrophobicContact CD1-CB 4.29Å; F487-L562 HydrophobicContact CD1-CD2 4.3Å; F487-L562 WeakPolarHBondContact CE1-O 3.47Å; D489-L562 HydrophobicContact CB-CD1 4.03Å; V490-L562 HydrophobicContact CB-CD1 4.23Å; V525-L562 HydrophobicContact CB-CB 4.45Å; V525-L562 HydrophobicContact CG1-CB 3.77Å; V525-L562 HydrophobicContact CG1-CD1 3.94Å; V525-L562 HydrophobicContact CG1-CG 4.48Å; V525-L562 HydrophobicContact CG2-CB 3.73Å; I557-L562 HydrophobicContact CG2-CD1 3.92Å; P558-L562 HydrophobicContact CG-CG 4.47Å; P558-L562 PolarHBondContact O-N 3.27Å; P558-L562 VanDerWaalsContact O-N 3.12Å; L559-L562 PolarHBondContact O-N 2.88Å; L562-L564 VanDerWaalsContact C-N 3.35Å; L562-L564 PolarHBondContact O-N 2.92Å; L562-R565 WeakPolarHBondContact O-CB 3.46Å; L562-R565 PolarHBondContact O-N 3.29Å; L562-R565 VanDerWaalsContact O-N 3.08Å; L562-H566 PolarHBondContact O-CD2 3.05Å; L562-H566 PolarHBondContact O-N 2.77Å
563	I	96	Very high	94.8	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-59.4	-44.4	172.3	-69.5	169.1	0	0	0	111.2	P521 A524 V525 P540 C543 L545 L559 R565 H566 R567	P521-I563 HydrophobicContact CB-CD1 4.21Å; A524-I563 HydrophobicContact CB-CD1 3.93Å; A524-I563 HydrophobicContact CB-CG1 4.03Å; V525-I563 HydrophobicContact CG2-CD1 4.43Å; V525-I563 HydrophobicContact CG2-CG1 3.61Å; P540-I563 HydrophobicContact CB-CG2 4.47Å; P540-I563 VanDerWaalsContact O-CG2 3.22Å; P540-I563 WeakPolarHBondContact O-CG2 3.35Å; C543-I563 HydrophobicContact CB-CD1 4.2Å; C543-I563 HydrophobicContact CB-CG2 3.82Å; L545-I563 HydrophobicContact CD2-CB 4.35Å; L545-I563 HydrophobicContact CD2-CG2 3.94Å; L559-I563 WeakPolarHBondContact O-CB 3.28Å; L559-I563 VanDerWaalsContact O-CG1 3.26Å; L559-I563 WeakPolarHBondContact O-CG1 3.32Å; L559-I563 PolarHBondContact O-N 3.38Å; I563-R565 VanDerWaalsContact C-N 3.27Å; I563-R565 PolarHBondContact O-N 3.33Å; I563-H566 PolarHBondContact O-N 3.17Å; I563-R567 PolarHBondContact O-N 3.39Å
564	L	93.8	Very high	94.4	Very high	30 Å²	30	32.1 Å²	32.1	16%	0.157	15%	0.152	C	C	.	.	H	α-helix	trans	-61.9	-36.1	174.5	179	59.6	0	0	0	111.8	I30 L545 S560 K561 L562 R567 R568	I30-L564 WeakPolarHBondContact O-CD1 3.39Å; L545-L564 HydrophobicContact CD1-CD1 3.99Å; L545-L564 HydrophobicContact CD2-CB 4.19Å; S560-L564 WeakPolarHBondContact O-CB 3.26Å; S560-L564 PolarHBondContact O-N 2.89Å; K561-L564 PolarHBondContact O-N 2.94Å; L562-L564 VanDerWaalsContact C-N 3.35Å; L562-L564 PolarHBondContact O-N 2.92Å; L564-R567 WeakPolarHBondContact O-CB 3.37Å; L564-R567 PolarHBondContact O-N 3.08Å; L564-R568 PolarHBondContact O-N 2.94Å
565	R	94.7	Very high	94	Very high	69 Å²	69	35.5 Å²	35.5	26%	0.26	17%	0.169	S	C	.	.	H	α-helix	trans	-68.3	-37.4	176.9	-173.2	63	-162.4	-140.1	-7.6	112.7	E486 F487 K561 L562 I563 R567 R568 V569	E486-R565 VanDerWaalsContact CD-CG 3.46Å; E486-R565 HydrophobicContact CG-CG 4.12Å; E486-R565 IonicContact OE1-CZ 2.76Å; E486-R565 IonicContact OE1-NE 3.72Å; E486-R565 PolarHBondContact OE1-NE 2.7Å; E486-R565 IonicContact OE1-NH1 3.57Å; E486-R565 IonicContact OE1-NH2 2.68Å; E486-R565 PolarHBondContact OE1-NH2 3.43Å; E486-R565 WeakPolarHBondContact OE2-CD 3.36Å; E486-R565 WeakPolarHBondContact OE2-CG 3.4Å; E486-R565 IonicContact OE2-CZ 3.67Å; E486-R565 IonicContact OE2-NE 2.73Å; E486-R565 PolarHBondContact OE2-NE 2.95Å; E486-R565 IonicContact OE2-NH1 3.76Å; E486-R565 PolarHBondContact OE2-NH1 3.28Å; E486-R565 IonicContact OE2-NH2 3.82Å; E486-R565 PolarHBondContact OE2-NH2 2.93Å; F487-R565 HydrophobicContact CE1-CB 4.12Å; F487-R565 HydrophobicContact CE1-CG 4.23Å; F487-R565 HydrophobicContact CE2-CG 4.32Å; F487-R565 HydrophobicContact CZ-CB 4.09Å; F487-R565 HydrophobicContact CZ-CG 3.73Å; K561-R565 PolarHBondContact O-N 3.44Å; L562-R565 WeakPolarHBondContact O-CB 3.46Å; L562-R565 PolarHBondContact O-N 3.29Å; L562-R565 VanDerWaalsContact O-N 3.08Å; I563-R565 VanDerWaalsContact C-N 3.27Å; I563-R565 PolarHBondContact O-N 3.33Å; R565-R567 VanDerWaalsContact C-N 3.3Å; R565-R567 PolarHBondContact O-N 3.02Å; R565-R568 WeakPolarHBondContact O-CB 3.21Å; R565-R568 PolarHBondContact O-N 2.74Å; R565-R568 VanDerWaalsContact O-N 3.14Å; R565-V569 HydrophobicContact CG-CG2 4.47Å; R565-V569 WeakPolarHBondContact O-CG2 2.92Å; R565-V569 PolarHBondContact O-N 3.35Å
566	H	94.9	Very high	93.4	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-56.1	-44.7	169.5	-79.9	-65.9	0	0	0	112.1	F487 V525 Y533 P540 L562 I563 R568 V569 M570	F487-H566 AromaticContact CD1-NE2 3.61Å; F487-H566 AromaticContact CE1-CD2 3.47Å; F487-H566 VanDerWaalsContact CE1-CD2 3.47Å; F487-H566 WeakPolarHBondContact CE1-CD2 3.41Å; F487-H566 AromaticContact CE1-CE1 3.5Å; F487-H566 AromaticContact CE1-CG 3.78Å; F487-H566 AromaticContact CE1-ND1 3.8Å; F487-H566 AromaticContact CE1-NE2 3.27Å; F487-H566 VanDerWaalsContact CE1-NE2 3.27Å; F487-H566 WeakPolarHBondContact CE1-NE2 3.45Å; F487-H566 AromaticContact CZ-CE1 3.81Å; F487-H566 AromaticContact CZ-ND1 3.84Å; V525-H566 WeakPolarHBondContact CA-NE2 3.39Å; V525-H566 PolarHBondContact O-NE2 2.65Å; Y533-H566 HydrophobicContact CE1-CB 4.36Å; Y533-H566 AromaticContact CE1-ND1 3.6Å; Y533-H566 AromaticContact CZ-ND1 3.52Å; Y533-H566 PolarHBondContact OH-ND1 3.33Å; P540-H566 HydrophobicContact CB-CB 3.66Å; P540-H566 HydrophobicContact CG-CB 3.54Å; L562-H566 PolarHBondContact O-CD2 3.05Å; L562-H566 PolarHBondContact O-N 2.77Å; I563-H566 PolarHBondContact O-N 3.17Å; H566-R568 VanDerWaalsContact C-N 3.32Å; H566-R568 PolarHBondContact O-N 2.7Å; H566-V569 PolarHBondContact O-N 3.31Å; H566-M570 WeakPolarHBondContact O-CG 3.19Å; H566-M570 PolarHBondContact O-N 2.86Å
567	R	93.2	Very high	92.7	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-59.3	-43.2	175.5	-60.5	-179.1	-175.2	-169.9	0.2	111.7	N31 P540 Y541 C543 I563 L564 R565 M570 A571	N31-R567 WeakPolarHBondContact O-CD 3.14Å; N31-R567 PolarHBondContact O-NH1 3.49Å; P540-R567 HydrophobicContact CB-CG 4.19Å; P540-R567 PolarHBondContact O-NE 2.8Å; P540-R567 PolarHBondContact O-NH2 3.08Å; Y541-R567 HydrophobicContact CD1-CG 4.09Å; Y541-R567 HydrophobicContact CE1-CB 4.17Å; Y541-R567 HydrophobicContact CE1-CG 3.66Å; Y541-R567 PolarHBondContact O-NH2 2.73Å; C543-R567 PolarHBondContact O-NH2 3.45Å; I563-R567 PolarHBondContact O-N 3.39Å; L564-R567 WeakPolarHBondContact O-CB 3.37Å; L564-R567 PolarHBondContact O-N 3.08Å; R565-R567 VanDerWaalsContact C-N 3.3Å; R565-R567 PolarHBondContact O-N 3.02Å; R567-M570 PolarHBondContact O-N 3.37Å; R567-A571 WeakPolarHBondContact O-CB 3.22Å; R567-A571 PolarHBondContact O-N 3.48Å
568	R	92.6	Very high	92.2	Very high	54 Å²	54	41.9 Å²	41.9	20%	0.204	21%	0.212	C	C	.	.	H	α-helix	trans	-59.7	-49.9	174.8	179.4	-177.8	170	161.3	6.3	111.7	G33 I35 L564 R565 H566 M570 A571 E572	G33-R568 WeakPolarHBondContact O-CA 3.24Å; I35-R568 HydrophobicContact CG1-CG 4.21Å; L564-R568 PolarHBondContact O-N 2.94Å; R565-R568 WeakPolarHBondContact O-CB 3.21Å; R565-R568 PolarHBondContact O-N 2.74Å; R565-R568 VanDerWaalsContact O-N 3.14Å; H566-R568 VanDerWaalsContact C-N 3.32Å; H566-R568 PolarHBondContact O-N 2.7Å; R568-M570 VanDerWaalsContact C-N 3.31Å; R568-M570 PolarHBondContact O-N 3.23Å; R568-A571 PolarHBondContact O-N 3Å; R568-E572 HydrophobicContact CG-CG 4.22Å; R568-E572 WeakPolarHBondContact CG-OE2 3.29Å; R568-E572 IonicContact CZ-OE1 3.96Å; R568-E572 IonicContact CZ-OE2 3.08Å; R568-E572 VanDerWaalsContact NE-CD 3.31Å; R568-E572 IonicContact NE-OE1 3.53Å; R568-E572 PolarHBondContact NE-OE1 2.99Å; R568-E572 VanDerWaalsContact NE-OE1 3.17Å; R568-E572 IonicContact NE-OE2 3.36Å; R568-E572 PolarHBondContact NE-OE2 3.27Å; R568-E572 IonicContact NH2-OE1 3.92Å; R568-E572 PolarHBondContact NH2-OE1 3.47Å; R568-E572 IonicContact NH2-OE2 3.65Å; R568-E572 WeakPolarHBondContact O-CB 3.05Å; R568-E572 WeakPolarHBondContact O-CG 3.4Å; R568-E572 PolarHBondContact O-N 3.39Å
569	V	92.6	Very high	91.7	Very high	18 Å²	18	43.8 Å²	43.8	11%	0.109	23%	0.229	C	C	.	.	H	α-helix	trans	-61.2	-39.2	179.3	173.3	0	0	0	0	111.5	Y533 R565 H566 K573	Y533-V569 HydrophobicContact CE2-CG1 4.07Å; Y533-V569 WeakPolarHBondContact OH-CG1 3.07Å; R565-V569 HydrophobicContact CG-CG2 4.47Å; R565-V569 WeakPolarHBondContact O-CG2 2.92Å; R565-V569 PolarHBondContact O-N 3.35Å; H566-V569 PolarHBondContact O-N 3.31Å; V569-K573 HydrophobicContact CG1-CD 4.08Å; V569-K573 HydrophobicContact CG1-CG 4.47Å; V569-K573 VanDerWaalsContact O-CB 3.3Å; V569-K573 WeakPolarHBondContact O-CB 3.41Å; V569-K573 WeakPolarHBondContact O-CG 2.85Å; V569-K573 PolarHBondContact O-N 3.27Å
570	M	92	Very high	91.1	Very high	2 Å²	2	45.2 Å²	45.2	1%	0.01	24%	0.236	C	C	.	.	H	α-helix	trans	-68.2	-38.2	175.6	-71.1	-172.9	-67.9	0	0	113.4	Y533 K537 P540 Y541 H566 R567 R568 G574 I575 T576	Y533-M570 HydrophobicContact CD1-CG 3.5Å; Y533-M570 VanDerWaalsContact CD1-CG 3.5Å; Y533-M570 HydrophobicContact CD1-SD 3.54Å; Y533-M570 VanDerWaalsContact CD1-SD 3.54Å; Y533-M570 HydrophobicContact CE1-CE 4.49Å; Y533-M570 HydrophobicContact CE1-CG 3.43Å; Y533-M570 VanDerWaalsContact CE1-CG 3.43Å; Y533-M570 HydrophobicContact CE1-SD 3.78Å; Y533-M570 HydrophobicContact CG-CG 4.28Å; K537-M570 HydrophobicContact CB-SD 3.76Å; K537-M570 WeakPolarHBondContact O-CE 3.29Å; K537-M570 VanDerWaalsContact O-SD 3.37Å; P540-M570 HydrophobicContact CB-CE 3.7Å; P540-M570 HydrophobicContact CG-CE 3.81Å; Y541-M570 HydrophobicContact CD2-CE 3.97Å; Y541-M570 HydrophobicContact CE2-CE 3.42Å; Y541-M570 VanDerWaalsContact CE2-CE 3.42Å; Y541-M570 HydrophobicContact CE2-SD 4.38Å; H566-M570 WeakPolarHBondContact O-CG 3.19Å; H566-M570 PolarHBondContact O-N 2.86Å; R567-M570 PolarHBondContact O-N 3.37Å; R568-M570 VanDerWaalsContact C-N 3.31Å; R568-M570 PolarHBondContact O-N 3.23Å; M570-G574 PolarHBondContact O-N 3.01Å; M570-G574 VanDerWaalsContact O-N 3.08Å; M570-I575 HydrophobicContact CB-CB 4.19Å; M570-I575 HydrophobicContact CG-CB 4.4Å; M570-I575 HydrophobicContact CG-CD1 4.32Å; M570-I575 HydrophobicContact CG-CG2 4.38Å; M570-I575 PolarHBondContact O-N 2.88Å; M570-T576 HydrophobicContact CB-CG2 4.27Å
571	A	90.1	Very high	90.7	Very high	14 Å²	14	45.9 Å²	45.9	12%	0.116	24%	0.238	C	C	.	.	H	α-helix	trans	-67.4	-46.9	174.4	0	0	0	0	0	111.3	Y34 R567 R568 K573 G574	Y34-A571 HydrophobicContact CD1-CB 3.89Å; Y34-A571 HydrophobicContact CD2-CB 4.15Å; Y34-A571 HydrophobicContact CE1-CB 3.86Å; Y34-A571 HydrophobicContact CE2-CB 4.1Å; Y34-A571 HydrophobicContact CG-CB 4.06Å; R567-A571 WeakPolarHBondContact O-CB 3.22Å; R567-A571 PolarHBondContact O-N 3.48Å; R568-A571 PolarHBondContact O-N 3Å; A571-K573 PolarHBondContact O-N 2.91Å; A571-G574 PolarHBondContact O-N 2.96Å
572	E	90.2	Very high	90.5	Very high	72 Å²	72	48.7 Å²	48.7	34%	0.336	25%	0.245	S	C	.	.	H	α-helix	trans	-65.9	-35.4	179.2	-71.8	-178.6	133.7	0	0	112.7	K36 R568 G574	K36-E572 HydrophobicContact CD-CG 4.46Å; K36-E572 WeakPolarHBondContact CE-OE1 3.17Å; K36-E572 IonicContact NZ-OE1 3.09Å; K36-E572 PolarHBondContact NZ-OE1 3.23Å; R568-E572 HydrophobicContact CG-CG 4.22Å; R568-E572 WeakPolarHBondContact CG-OE2 3.29Å; R568-E572 IonicContact CZ-OE1 3.96Å; R568-E572 IonicContact CZ-OE2 3.08Å; R568-E572 VanDerWaalsContact NE-CD 3.31Å; R568-E572 IonicContact NE-OE1 3.53Å; R568-E572 PolarHBondContact NE-OE1 2.99Å; R568-E572 VanDerWaalsContact NE-OE1 3.17Å; R568-E572 IonicContact NE-OE2 3.36Å; R568-E572 PolarHBondContact NE-OE2 3.27Å; R568-E572 IonicContact NH2-OE1 3.92Å; R568-E572 PolarHBondContact NH2-OE1 3.47Å; R568-E572 IonicContact NH2-OE2 3.65Å; R568-E572 WeakPolarHBondContact O-CB 3.05Å; R568-E572 WeakPolarHBondContact O-CG 3.4Å; R568-E572 PolarHBondContact O-N 3.39Å; E572-G574 VanDerWaalsContact C-N 3.3Å
573	K	90.3	Very high	89.9	Confident	153 Å²	153	51.1 Å²	51.1	67%	0.665	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.9	-0.6	171.6	-67.9	-173.3	175.2	-172	0	113.8	V569 A571 I575	V569-K573 HydrophobicContact CG1-CD 4.08Å; V569-K573 HydrophobicContact CG1-CG 4.47Å; V569-K573 VanDerWaalsContact O-CB 3.3Å; V569-K573 WeakPolarHBondContact O-CB 3.41Å; V569-K573 WeakPolarHBondContact O-CG 2.85Å; V569-K573 PolarHBondContact O-N 3.27Å; A571-K573 PolarHBondContact O-N 2.91Å; K573-I575 VanDerWaalsContact C-N 3.27Å; K573-I575 HydrophobicContact CB-CD1 3.96Å; K573-I575 HydrophobicContact CB-CG1 3.98Å; K573-I575 HydrophobicContact CD-CD1 4.46Å; K573-I575 PolarHBondContact O-N 3.41Å
574	G	89.2	Confident	89.4	Confident	24 Å²	24	52 Å²	52	25%	0.247	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	67.9	19.2	176.3	0	0	0	0	0	115.9	M570 A571 E572 T576 Q581	M570-G574 PolarHBondContact O-N 3.01Å; M570-G574 VanDerWaalsContact O-N 3.08Å; A571-G574 PolarHBondContact O-N 2.96Å; E572-G574 VanDerWaalsContact C-N 3.3Å; G574-T576 VanDerWaalsContact C-N 3.28Å; G574-T576 PolarHBondContact O-N 2.88Å; G574-Q581 VanDerWaalsContact C-NE2 3.27Å; G574-Q581 PolarHBondContact O-NE2 3.22Å
575	I	89.4	Confident	89.1	Confident	71 Å²	71	56 Å²	56	36%	0.364	29%	0.288	S	S	.	.			trans	-68.3	-25.7	-178.2	-63.8	173.8	0	0	0	111.8	Y533 M570 K573	Y533-I575 HydrophobicContact CD2-CD1 4.25Å; Y533-I575 HydrophobicContact CG-CD1 4.18Å; M570-I575 HydrophobicContact CB-CB 4.19Å; M570-I575 HydrophobicContact CG-CB 4.4Å; M570-I575 HydrophobicContact CG-CD1 4.32Å; M570-I575 HydrophobicContact CG-CG2 4.38Å; M570-I575 PolarHBondContact O-N 2.88Å; K573-I575 VanDerWaalsContact C-N 3.27Å; K573-I575 HydrophobicContact CB-CD1 3.96Å; K573-I575 HydrophobicContact CB-CG1 3.98Å; K573-I575 HydrophobicContact CD-CD1 4.46Å; K573-I575 PolarHBondContact O-N 3.41Å
576	T	84.8	Confident	88.8	Confident	14 Å²	14	59.6 Å²	59.6	9%	0.086	31%	0.309	C	S	.	.	S	Bend	trans	-67.3	163.1	178.3	55.9	0	0	0	0	113.3	Y34 Y541 M570 G574 Q581	Y34-T576 VanDerWaalsContact OH-CB 3.23Å; Y34-T576 WeakPolarHBondContact OH-CB 3.48Å; Y34-T576 PolarHBondContact OH-OG1 2.99Å; Y541-T576 HydrophobicContact CE2-CG2 4.4Å; Y541-T576 WeakPolarHBondContact OH-CG2 3.38Å; M570-T576 HydrophobicContact CB-CG2 4.27Å; G574-T576 VanDerWaalsContact C-N 3.28Å; G574-T576 PolarHBondContact O-N 2.88Å; T576-Q581 PolarHBondContact O-NE2 3.32Å; T576-Q581 VanDerWaalsContact OG1-CG 3.3Å; T576-Q581 WeakPolarHBondContact OG1-CG 3.18Å; T576-Q581 PolarHBondContact OG1-NE2 2.89Å
577	A	83.9	Confident	88.3	Confident	61 Å²	61	62.3 Å²	62.3	50%	0.504	32%	0.321	S	S	.	.			trans	-63.7	137.7	-177.7	0	0	0	0	0	112.8	A579 E580 Q581	A577-A579 PolarHBondContact O-N 3.28Å; A577-A579 VanDerWaalsContact O-N 3.13Å; A577-E580 HydrophobicContact CB-CB 4.37Å; A577-E580 WeakPolarHBondContact O-CB 3.48Å; A577-E580 PolarHBondContact O-N 3.41Å; A577-Q581 PolarHBondContact O-N 3.29Å
578	K	87.7	Confident	88	Confident	129 Å²	129	62.8 Å²	62.8	56%	0.561	33%	0.325	S	S	*	.	H	α-helix	trans	-62.7	-21.6	-179.4	-60.2	-54.6	-178.7	-172.9	0	114.3	R582	K578-R582 WeakPolarHBondContact O-CG 3.23Å; K578-R582 PolarHBondContact O-N 2.88Å; K578-R582 PolarHBondContact O-NE 2.92Å
579	A	86.8	Confident	87.8	Confident	65 Å²	65	66.9 Å²	66.9	54%	0.537	34%	0.342	S	S	.	.	H	α-helix	trans	-69.5	-48	170.6	0	0	0	0	0	111.7	A577 R582 A583	A577-A579 PolarHBondContact O-N 3.28Å; A577-A579 VanDerWaalsContact O-N 3.13Å; A579-R582 PolarHBondContact O-N 2.93Å; A579-A583 PolarHBondContact O-N 3.12Å
580	E	84.1	Confident	87.6	Confident	32 Å²	32	67.5 Å²	67.5	15%	0.15	35%	0.348	C	S	.	.	H	α-helix	trans	-59.8	-47.4	176.8	-176	-166.6	150.6	0	0	111.7	Y34 K164 A577 R582 A583 I584	Y34-E580 VanDerWaalsContact CE2-OE1 3.3Å; Y34-E580 WeakPolarHBondContact CE2-OE1 3.36Å; Y34-E580 VanDerWaalsContact OH-CD 3.22Å; Y34-E580 PolarHBondContact OH-OE1 2.75Å; K164-E580 VanDerWaalsContact CE-CD 3.48Å; K164-E580 WeakPolarHBondContact CE-OE2 3.48Å; K164-E580 IonicContact NZ-OE1 2.95Å; K164-E580 PolarHBondContact NZ-OE1 2.88Å; K164-E580 IonicContact NZ-OE2 3.72Å; K164-E580 PolarHBondContact NZ-OE2 3.15Å; A577-E580 HydrophobicContact CB-CB 4.37Å; A577-E580 WeakPolarHBondContact O-CB 3.48Å; A577-E580 PolarHBondContact O-N 3.41Å; E580-R582 VanDerWaalsContact C-N 3.26Å; E580-R582 PolarHBondContact O-N 3.47Å; E580-A583 PolarHBondContact O-N 2.8Å; E580-I584 HydrophobicContact CG-CD1 3.85Å; E580-I584 PolarHBondContact O-N 3.08Å
581	Q	87.4	Confident	87.4	Confident	25 Å²	25	67.5 Å²	67.5	12%	0.117	35%	0.348	C	S	.	.	H	α-helix	trans	-56	-39.8	177.7	-67.6	176.9	5.1	0	0	112.1	Y34 G574 T576 A577 K585	Y34-Q581 HydrophobicContact CE1-CG 4.1Å; G574-Q581 VanDerWaalsContact C-NE2 3.27Å; G574-Q581 PolarHBondContact O-NE2 3.22Å; T576-Q581 PolarHBondContact O-NE2 3.32Å; T576-Q581 VanDerWaalsContact OG1-CG 3.3Å; T576-Q581 WeakPolarHBondContact OG1-CG 3.18Å; T576-Q581 PolarHBondContact OG1-NE2 2.89Å; A577-Q581 PolarHBondContact O-N 3.29Å; Q581-K585 WeakPolarHBondContact O-CB 3.49Å; Q581-K585 VanDerWaalsContact O-CG 3.29Å; Q581-K585 WeakPolarHBondContact O-CG 3.19Å; Q581-K585 PolarHBondContact O-N 2.76Å
582	R	89	Confident	87.4	Confident	178 Å²	178	68 Å²	68	67%	0.672	35%	0.351	S	S	*	.	H	α-helix	trans	-73.8	-44	177.8	-73.1	-179	-68.4	-172.3	5.2	112.3	K578 A579 E580 I584 K585 M586	K578-R582 WeakPolarHBondContact O-CG 3.23Å; K578-R582 PolarHBondContact O-N 2.88Å; K578-R582 PolarHBondContact O-NE 2.92Å; A579-R582 PolarHBondContact O-N 2.93Å; E580-R582 VanDerWaalsContact C-N 3.26Å; E580-R582 PolarHBondContact O-N 3.47Å; R582-I584 PolarHBondContact O-N 3.29Å; R582-K585 PolarHBondContact O-N 3.38Å; R582-M586 WeakPolarHBondContact O-CB 3.4Å; R582-M586 PolarHBondContact O-N 3.15Å
583	A	85.6	Confident	87.3	Confident	62 Å²	62	68.1 Å²	68.1	51%	0.512	35%	0.351	S	S	.	.	H	α-helix	trans	-60.9	-44.1	178.6	0	0	0	0	0	112.1	A579 E580 M586 F587	A579-A583 PolarHBondContact O-N 3.12Å; E580-A583 PolarHBondContact O-N 2.8Å; A583-M586 PolarHBondContact O-N 2.87Å; A583-F587 WeakPolarHBondContact O-CB 3.49Å; A583-F587 PolarHBondContact O-N 2.73Å
584	I	85	Confident	87	Confident	19 Å²	19	62.7 Å²	62.7	10%	0.097	33%	0.332	C	S	.	.	H	α-helix	trans	-71.8	-36	-179.6	-67.2	174.7	0	0	0	111.6	A29 Y34 E580 R582 F587 A588	A29-I584 HydrophobicContact CB-CG2 3.84Å; Y34-I584 HydrophobicContact CD1-CG2 4.16Å; Y34-I584 HydrophobicContact CD2-CB 4.5Å; Y34-I584 HydrophobicContact CD2-CD1 3.51Å; Y34-I584 HydrophobicContact CD2-CG2 3.96Å; Y34-I584 HydrophobicContact CE2-CD1 3.35Å; Y34-I584 HydrophobicContact CG-CB 4.43Å; Y34-I584 HydrophobicContact CG-CD1 4.27Å; Y34-I584 HydrophobicContact CG-CG2 3.68Å; E580-I584 HydrophobicContact CG-CD1 3.85Å; E580-I584 PolarHBondContact O-N 3.08Å; R582-I584 PolarHBondContact O-N 3.29Å; I584-F587 PolarHBondContact O-N 2.79Å; I584-A588 VanDerWaalsContact O-CB 3.25Å; I584-A588 WeakPolarHBondContact O-CB 3.3Å; I584-A588 PolarHBondContact O-N 2.69Å
585	K	87.1	Confident	86.7	Confident	115 Å²	115	64 Å²	64	50%	0.5	35%	0.345	S	S	.	.	H	α-helix	trans	-64	-39.9	172.2	-78.2	178.3	177.7	-173.2	0	112.8	E37 Q581 R582 A588 Y589	E37-K585 HydrophobicContact CG-CD 4.49Å; E37-K585 HydrophobicContact CG-CG 3.68Å; E37-K585 WeakPolarHBondContact OE1-CE 3.29Å; E37-K585 IonicContact OE1-NZ 2.72Å; Q581-K585 WeakPolarHBondContact O-CB 3.49Å; Q581-K585 VanDerWaalsContact O-CG 3.29Å; Q581-K585 WeakPolarHBondContact O-CG 3.19Å; Q581-K585 PolarHBondContact O-N 2.76Å; R582-K585 PolarHBondContact O-N 3.38Å; K585-A588 PolarHBondContact O-N 3.47Å; K585-Y589 WeakPolarHBondContact O-CB 3.46Å; K585-Y589 PolarHBondContact O-N 2.77Å
586	M	88.6	Confident	86.5	Confident	144 Å²	144	64.7 Å²	64.7	71%	0.709	35%	0.349	S	S	*	.	H	α-helix	trans	-65.7	-44.8	174.8	-172.2	-177.5	-68.4	0	0	111.9	R582 A583 Y589 A590	R582-M586 WeakPolarHBondContact O-CB 3.4Å; R582-M586 PolarHBondContact O-N 3.15Å; A583-M586 PolarHBondContact O-N 2.87Å; M586-Y589 PolarHBondContact O-N 2.94Å; M586-A590 WeakPolarHBondContact O-CB 3.4Å; M586-A590 PolarHBondContact O-N 3.22Å
587	F	85.8	Confident	86.3	Confident	57 Å²	57	66 Å²	66	25%	0.25	35%	0.353	C	S	.	.	H	α-helix	trans	-58.5	-47.5	173.8	170.3	-93.3	0	0	0	111.9	C24 P28 A29 A583 I584 A590 N591 W597	C24-F587 HydrophobicContact CB-CZ 4.22Å; P28-F587 HydrophobicContact CB-CZ 4.44Å; P28-F587 HydrophobicContact CG-CZ 4.18Å; A29-F587 HydrophobicContact CB-CD1 4.46Å; A29-F587 HydrophobicContact CB-CE1 4.42Å; A583-F587 WeakPolarHBondContact O-CB 3.49Å; A583-F587 PolarHBondContact O-N 2.73Å; I584-F587 PolarHBondContact O-N 2.79Å; F587-A590 PolarHBondContact O-N 2.7Å; F587-N591 VanDerWaalsContact O-CB 3.26Å; F587-N591 WeakPolarHBondContact O-CB 3.38Å; F587-N591 PolarHBondContact O-N 3.42Å; F587-W597 HydrophobicContact CD2-CZ3 4.31Å; F587-W597 AromaticContact CE2-CH2 3.84Å; F587-W597 HydrophobicContact CE2-CH2 3.84Å; F587-W597 AromaticContact CE2-CZ3 3.95Å; F587-W597 HydrophobicContact CE2-CZ3 3.95Å; F587-W597 HydrophobicContact CZ-CH2 4.4Å
588	A	85.9	Confident	86	Confident	10 Å²	10	67.1 Å²	67.1	8%	0.083	35%	0.346	C	S	.	.	H	α-helix	trans	-60	-47.4	178.1	0	0	0	0	0	112.5	E37 I584 K585 N591 S592	E37-A588 HydrophobicContact CB-CB 3.91Å; E37-A588 VanDerWaalsContact O-CB 3.24Å; E37-A588 WeakPolarHBondContact O-CB 3.39Å; I584-A588 VanDerWaalsContact O-CB 3.25Å; I584-A588 WeakPolarHBondContact O-CB 3.3Å; I584-A588 PolarHBondContact O-N 2.69Å; K585-A588 PolarHBondContact O-N 3.47Å; A588-N591 PolarHBondContact O-N 2.78Å; A588-S592 PolarHBondContact O-N 3.43Å
589	Y	89.2	Confident	85.4	Confident	140 Å²	140	65.8 Å²	65.8	55%	0.549	35%	0.348	S	S	.	.	H	α-helix	trans	-63	-41.2	177.6	179.2	-92.9	0	0	0	112.5	K585 M586 N591 S592 H593 L596	K585-Y589 WeakPolarHBondContact O-CB 3.46Å; K585-Y589 PolarHBondContact O-N 2.77Å; M586-Y589 PolarHBondContact O-N 2.94Å; Y589-N591 VanDerWaalsContact C-N 3.33Å; Y589-S592 PolarHBondContact O-OG 3.46Å; Y589-H593 AromaticContact CD2-CE1 3.73Å; Y589-H593 AromaticContact CE2-CE1 3.35Å; Y589-H593 WeakPolarHBondContact CE2-CE1 3.44Å; Y589-H593 AromaticContact CE2-ND1 3.88Å; Y589-H593 AromaticContact CZ-CE1 3.7Å; Y589-H593 AromaticContact CZ-ND1 3.95Å; Y589-H593 PolarHBondContact O-ND1 2.75Å; Y589-L596 HydrophobicContact CD1-CD1 4.29Å; Y589-L596 HydrophobicContact CE1-CD1 3.62Å
590	A	88	Confident	84.8	Confident	30 Å²	30	64.7 Å²	64.7	25%	0.248	34%	0.343	C	S	.	.	H	α-helix	trans	-63.5	-41.4	173.3	0	0	0	0	0	111.3	M586 F587 S592 H593 W597	M586-A590 WeakPolarHBondContact O-CB 3.4Å; M586-A590 PolarHBondContact O-N 3.22Å; F587-A590 PolarHBondContact O-N 2.7Å; A590-S592 VanDerWaalsContact C-N 3.34Å; A590-S592 PolarHBondContact O-N 3.13Å; A590-H593 PolarHBondContact O-N 3.08Å; A590-W597 HydrophobicContact CB-CE3 4.46Å
591	N	88.1	Confident	84.1	Confident	2 Å²	2	68.5 Å²	68.5	1%	0.011	36%	0.363	C	S	.	.	H	α-helix	trans	-71	-22.7	-178.3	-166	50.4	0	0	0	114.5	C24 F587 A588 Y589 H593 W597	C24-N591 WeakPolarHBondContact CA-OD1 3.36Å; C24-N591 VanDerWaalsContact CB-OD1 3.3Å; C24-N591 WeakPolarHBondContact CB-OD1 3.47Å; C24-N591 PolarHBondContact N-OD1 3.36Å; C24-N591 PolarHBondContact O-ND2 3.38Å; C24-N591 PolarHBondContact O-OD1 3.46Å; F587-N591 VanDerWaalsContact O-CB 3.26Å; F587-N591 WeakPolarHBondContact O-CB 3.38Å; F587-N591 PolarHBondContact O-N 3.42Å; A588-N591 PolarHBondContact O-N 2.78Å; Y589-N591 VanDerWaalsContact C-N 3.33Å; N591-H593 VanDerWaalsContact C-N 3.33Å; N591-W597 HydrophobicContact CB-CE3 3.98Å; N591-W597 HydrophobicContact CB-CZ3 4.07Å
592	S	88.7	Confident	83.1	Confident	25 Å²	25	72.9 Å²	72.9	18%	0.175	39%	0.385	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-3.8	175.5	69.6	0	0	0	0	114	A588 Y589 A590	A588-S592 PolarHBondContact O-N 3.43Å; Y589-S592 PolarHBondContact O-OG 3.46Å; A590-S592 VanDerWaalsContact C-N 3.34Å; A590-S592 PolarHBondContact O-N 3.13Å
593	H	89.4	Confident	82	Confident	74 Å²	74	67.2 Å²	67.2	34%	0.343	38%	0.376	S	S	.	.			trans	-125.8	99	-176.5	-67.2	97.7	0	0	0	110.8	Y589 A590 N591 G595 L596 W597	Y589-H593 AromaticContact CD2-CE1 3.73Å; Y589-H593 AromaticContact CE2-CE1 3.35Å; Y589-H593 WeakPolarHBondContact CE2-CE1 3.44Å; Y589-H593 AromaticContact CE2-ND1 3.88Å; Y589-H593 AromaticContact CZ-CE1 3.7Å; Y589-H593 AromaticContact CZ-ND1 3.95Å; Y589-H593 PolarHBondContact O-ND1 2.75Å; A590-H593 PolarHBondContact O-N 3.08Å; N591-H593 VanDerWaalsContact C-N 3.33Å; H593-G595 VanDerWaalsContact C-N 3.28Å; H593-G595 PolarHBondContact O-N 3.49Å; H593-G595 VanDerWaalsContact O-N 3.09Å; H593-L596 HydrophobicContact CB-CB 4.06Å; H593-L596 HydrophobicContact CB-CD1 3.92Å; H593-L596 HydrophobicContact CB-CG 4.06Å; H593-L596 PolarHBondContact O-N 2.92Å; H593-W597 PolarHBondContact O-N 3.46Å
594	P	83.7	Confident	80.8	Confident	40 Å²	40	66.1 Å²	66.1	26%	0.26	37%	0.371	S	S	.	.	H	α-helix	trans	-50.2	-40.2	-173.4	-32.2	35.8	0	0	0	115.5	K21 N44 W597 K598	K21-P594 HydrophobicContact CB-CB 4.42Å; K21-P594 HydrophobicContact CB-CG 4.24Å; N44-P594 WeakPolarHBondContact OD1-CD 3.26Å; N44-P594 WeakPolarHBondContact OD1-CG 3.36Å; P594-W597 PolarHBondContact O-N 2.81Å; P594-K598 VanDerWaalsContact O-CB 3.24Å; P594-K598 WeakPolarHBondContact O-CB 3.4Å; P594-K598 PolarHBondContact O-N 2.91Å
595	G	83.6	Confident	79.5	Confident	50 Å²	50	68.2 Å²	68.2	52%	0.515	39%	0.391	S	S	.	.	H	α-helix	trans	-64.2	-45.6	177.1	0	0	0	0	0	113.1	H593 K598 V599	H593-G595 VanDerWaalsContact C-N 3.28Å; H593-G595 PolarHBondContact O-N 3.49Å; H593-G595 VanDerWaalsContact O-N 3.09Å; G595-K598 PolarHBondContact O-N 3.09Å; G595-V599 WeakPolarHBondContact O-CG2 3.32Å; G595-V599 PolarHBondContact O-N 3.06Å
596	L	84	Confident	77.8	Confident	86 Å²	86	69.4 Å²	69.4	45%	0.45	40%	0.398	S	S	.	.	H	α-helix	trans	-67.4	-38.4	176.9	-63.1	-179.6	0	0	0	111.3	Y589 H593 G600	Y589-L596 HydrophobicContact CD1-CD1 4.29Å; Y589-L596 HydrophobicContact CE1-CD1 3.62Å; H593-L596 HydrophobicContact CB-CB 4.06Å; H593-L596 HydrophobicContact CB-CD1 3.92Å; H593-L596 HydrophobicContact CB-CG 4.06Å; H593-L596 PolarHBondContact O-N 2.92Å; L596-G600 PolarHBondContact O-N 2.72Å
597	W	80.6	Confident	76	Confident	43 Å²	43	64.8 Å²	64.8	16%	0.163	38%	0.382	C	S	.	.	H	α-helix	trans	-62.3	-49.4	174.4	-171.4	-107.5	0	0	0	112	C24 F587 A590 N591 H593 P594 V599 G600 M601	C24-W597 HydrophobicContact CB-CH2 3.66Å; C24-W597 HydrophobicContact CB-CZ2 3.53Å; C24-W597 HydrophobicContact CB-CZ3 4.5Å; F587-W597 HydrophobicContact CD2-CZ3 4.31Å; F587-W597 AromaticContact CE2-CH2 3.84Å; F587-W597 HydrophobicContact CE2-CH2 3.84Å; F587-W597 AromaticContact CE2-CZ3 3.95Å; F587-W597 HydrophobicContact CE2-CZ3 3.95Å; F587-W597 HydrophobicContact CZ-CH2 4.4Å; A590-W597 HydrophobicContact CB-CE3 4.46Å; N591-W597 HydrophobicContact CB-CE3 3.98Å; N591-W597 HydrophobicContact CB-CZ3 4.07Å; H593-W597 PolarHBondContact O-N 3.46Å; P594-W597 PolarHBondContact O-N 2.81Å; W597-V599 PolarHBondContact O-N 2.9Å; W597-G600 PolarHBondContact O-N 3.09Å; W597-M601 HydrophobicContact CD2-CG 4.33Å; W597-M601 HydrophobicContact CZ2-CG 4.08Å; W597-M601 HydrophobicContact CZ2-SD 3.74Å; W597-M601 WeakPolarHBondContact O-CB 3.48Å; W597-M601 VanDerWaalsContact O-CG 3.3Å; W597-M601 WeakPolarHBondContact O-CG 3.5Å; W597-M601 PolarHBondContact O-N 3.22Å
598	K	76.9	Confident	74.1	Confident	83 Å²	83	63.8 Å²	63.8	36%	0.361	39%	0.385	S	S	.	.	H	α-helix	trans	-60.1	-46.5	179.6	-169	171.9	-170.1	-177.6	0	111.3	E20 P594 G595 M602	E20-K598 IonicContact OE1-NZ 3.17Å; E20-K598 PolarHBondContact OE1-NZ 3.34Å; E20-K598 IonicContact OE2-NZ 2.97Å; E20-K598 PolarHBondContact OE2-NZ 2.89Å; P594-K598 VanDerWaalsContact O-CB 3.24Å; P594-K598 WeakPolarHBondContact O-CB 3.4Å; P594-K598 PolarHBondContact O-N 2.91Å; G595-K598 PolarHBondContact O-N 3.09Å; K598-M602 HydrophobicContact CG-CE 3.97Å; K598-M602 WeakPolarHBondContact O-CG 3.24Å; K598-M602 PolarHBondContact O-N 3.12Å
599	V	77.1	Confident	72.2	Confident	101 Å²	101	67.3 Å²	67.3	61%	0.612	41%	0.409	S	S	*	.	H	α-helix	trans	-66.3	-46.8	176.1	172.7	0	0	0	0	111.6	G595 W597 M601 M602 A603	G595-V599 WeakPolarHBondContact O-CG2 3.32Å; G595-V599 PolarHBondContact O-N 3.06Å; W597-V599 PolarHBondContact O-N 2.9Å; V599-M601 VanDerWaalsContact C-N 3.33Å; V599-M601 PolarHBondContact O-N 3.3Å; V599-M602 PolarHBondContact O-N 3.4Å; V599-A603 WeakPolarHBondContact O-CB 3.14Å; V599-A603 PolarHBondContact O-N 3.11Å
600	G	73	Confident	69.9	Low	42 Å²	42	71 Å²	71	43%	0.433	42%	0.422	S	S	.	.	H	α-helix	trans	-60.9	-38.6	-179.5	0	0	0	0	0	113.2	L596 W597 G604	L596-G600 PolarHBondContact O-N 2.72Å; W597-G600 PolarHBondContact O-N 3.09Å; G600-G604 WeakPolarHBondContact O-CA 3.23Å; G600-G604 PolarHBondContact O-N 3.39Å
601	M	69.2	Low	67.5	Low	113 Å²	113	77.2 Å²	77.2	56%	0.557	44%	0.444	S	S	*	.	H	α-helix	trans	-66.9	-43.5	174.3	-70.9	-124.3	-64.7	0	0	112.6	W597 V599 A605	W597-M601 HydrophobicContact CD2-CG 4.33Å; W597-M601 HydrophobicContact CZ2-CG 4.08Å; W597-M601 HydrophobicContact CZ2-SD 3.74Å; W597-M601 WeakPolarHBondContact O-CB 3.48Å; W597-M601 VanDerWaalsContact O-CG 3.3Å; W597-M601 WeakPolarHBondContact O-CG 3.5Å; W597-M601 PolarHBondContact O-N 3.22Å; V599-M601 VanDerWaalsContact C-N 3.33Å; V599-M601 PolarHBondContact O-N 3.3Å; M601-A605 WeakPolarHBondContact O-CB 3.37Å; M601-A605 PolarHBondContact O-N 3.47Å
602	M	67.8	Low	65.1	Low	117 Å²	117	81.8 Å²	81.8	58%	0.576	47%	0.467	S	S	*	.	H	α-helix	trans	-66.2	-44.4	178.4	-69.2	-168.3	-156.5	0	0	112.5	K598 V599 A605 H606	K598-M602 HydrophobicContact CG-CE 3.97Å; K598-M602 WeakPolarHBondContact O-CG 3.24Å; K598-M602 PolarHBondContact O-N 3.12Å; V599-M602 PolarHBondContact O-N 3.4Å; M602-A605 PolarHBondContact O-N 2.89Å; M602-H606 PolarHBondContact O-N 3.47Å; M602-H606 PolarHBondContact O-ND1 3.21Å
603	A	65.9	Low	62.4	Low	59 Å²	59	87.7 Å²	87.7	49%	0.488	50%	0.497	S	S	.	.	H	α-helix	trans	-65.9	-43	176.6	0	0	0	0	0	111.5	V599 A605 H606 A607	V599-A603 WeakPolarHBondContact O-CB 3.14Å; V599-A603 PolarHBondContact O-N 3.11Å; A603-A605 VanDerWaalsContact C-N 3.34Å; A603-A605 PolarHBondContact O-N 3.16Å; A603-H606 PolarHBondContact O-N 3.3Å; A603-A607 PolarHBondContact O-N 3.23Å
604	G	60.1	Low	59.8	Low	39 Å²	39	87.9 Å²	87.9	40%	0.402	52%	0.519	S	S	.	.	H	α-helix	trans	-61.4	-38.2	175.8	0	0	0	0	0	113.1	G600 A607 A608	G600-G604 WeakPolarHBondContact O-CA 3.23Å; G600-G604 PolarHBondContact O-N 3.39Å; G604-A607 PolarHBondContact O-N 2.73Å; G604-A608 WeakPolarHBondContact O-CB 3.46Å; G604-A608 PolarHBondContact O-N 3.48Å
605	A	56	Low	57.6	Low	63 Å²	63	89 Å²	89	52%	0.521	54%	0.537	S	S	.	.	H	α-helix	trans	-65.5	-39.3	175.1	0	0	0	0	0	112.8	M601 M602 A603 S609	M601-A605 WeakPolarHBondContact O-CB 3.37Å; M601-A605 PolarHBondContact O-N 3.47Å; M602-A605 PolarHBondContact O-N 2.89Å; A603-A605 VanDerWaalsContact C-N 3.34Å; A603-A605 PolarHBondContact O-N 3.16Å; A605-S609 PolarHBondContact O-N 2.78Å
606	H	51.7	Low	55.1	Low	139 Å²	139	94.9 Å²	94.9	64%	0.644	55%	0.548	S	S	*	.	H	α-helix	trans	-70.4	-40.4	174.5	-84.9	74.8	0	0	0	112.8	M602 A603 S609	M602-H606 PolarHBondContact O-N 3.47Å; M602-H606 PolarHBondContact O-ND1 3.21Å; A603-H606 PolarHBondContact O-N 3.3Å; H606-S609 PolarHBondContact O-OG 3.16Å
607	A	51.9	Low	52.7	Low	47 Å²	47	96.6 Å²	96.6	39%	0.388	56%	0.563	S	S	.	*	H	α-helix	trans	-65.8	-39.8	174.8	0	0	0	0	0	111.6	A603 G604 S609 W610 F611	A603-A607 PolarHBondContact O-N 3.23Å; G604-A607 PolarHBondContact O-N 2.73Å; A607-S609 VanDerWaalsContact C-N 3.34Å; A607-S609 PolarHBondContact O-N 2.82Å; A607-W610 PolarHBondContact O-N 3.1Å; A607-W610 VanDerWaalsContact O-N 3.16Å; A607-F611 WeakPolarHBondContact O-CD2 3.07Å; A607-F611 PolarHBondContact O-N 3.4Å
608	A	45.3	Very low	50.1	Low	37 Å²	37	100.5 Å²	100.5	31%	0.306	59%	0.593	S	S	.	*	H	α-helix	trans	-62.8	-35.8	179.3	0	0	0	0	0	113	G604 W610 I612	G604-A608 WeakPolarHBondContact O-CB 3.46Å; G604-A608 PolarHBondContact O-N 3.48Å; A608-W610 VanDerWaalsContact C-N 3.27Å; A608-W610 PolarHBondContact O-N 3.1Å; A608-I612 HydrophobicContact CB-CD1 3.95Å; A608-I612 WeakPolarHBondContact O-CB 3.41Å; A608-I612 WeakPolarHBondContact O-CG1 3.21Å; A608-I612 PolarHBondContact O-N 2.95Å
609	S	45.8	Very low	47.7	Very low	84 Å²	84	103 Å²	103	59%	0.587	61%	0.61	S	S	*	*	H	α-helix	trans	-71.4	-20.3	176.7	63.4	0	0	0	0	113.5	A605 H606 A607	A605-S609 PolarHBondContact O-N 2.78Å; H606-S609 PolarHBondContact O-OG 3.16Å; A607-S609 VanDerWaalsContact C-N 3.34Å; A607-S609 PolarHBondContact O-N 2.82Å
610	W	42.1	Very low	45.1	Very low	216 Å²	216	108.1 Å²	108.1	82%	0.818	62%	0.624	S	S	*	*	H	α-helix	trans	-87.7	-39	175.5	-73.1	30.1	0	0	0	112.4	A607 A608	A607-W610 PolarHBondContact O-N 3.1Å; A607-W610 VanDerWaalsContact O-N 3.16Å; A608-W610 VanDerWaalsContact C-N 3.27Å; A608-W610 PolarHBondContact O-N 3.1Å
611	F	36	Very low	42.8	Very low	162 Å²	162	115.5 Å²	115.5	71%	0.711	65%	0.645	S	S	*	*	H	α-helix	trans	-90.1	-20.2	-177.4	-75.2	-74.4	0	0	0	114.9	A607 N613	A607-F611 WeakPolarHBondContact O-CD2 3.07Å; A607-F611 PolarHBondContact O-N 3.4Å; F611-N613 PolarHBondContact O-N 3.07Å
612	I	39.3	Very low	40.8	Very low	97 Å²	97	113.6 Å²	113.6	50%	0.497	65%	0.654	S	S	.	*			trans	-93.7	79.2	179.5	-54.7	174.7	0	0	0	110	A608	A608-I612 HydrophobicContact CB-CD1 3.95Å; A608-I612 WeakPolarHBondContact O-CB 3.41Å; A608-I612 WeakPolarHBondContact O-CG1 3.21Å; A608-I612 PolarHBondContact O-N 2.95Å
613	N	31.5	Very low	38.8	Very low	150 Å²	150	112.3 Å²	112.3	80%	0.802	66%	0.662	S	S	*	*	S	Bend	trans	-110.1	122.3	166.4	-146.4	-16.2	0	0	0	108.9	F611 G615	F611-N613 PolarHBondContact O-N 3.07Å; N613-G615 PolarHBondContact O-N 2.82Å; N613-G615 VanDerWaalsContact O-N 3.09Å
614	G	34.6	Very low	36.8	Very low	78 Å²	78	117.6 Å²	117.6	80%	0.804	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	67.1	2	-174.7	0	0	0	0	0	116.8
615	G	37	Very low	35	Very low	62 Å²	62	120 Å²	120	64%	0.639	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	79.9	19	169.7	0	0	0	0	0	116.8	N613	N613-G615 PolarHBondContact O-N 2.82Å; N613-G615 VanDerWaalsContact O-N 3.09Å
616	K	30.5	Very low	33.7	Very low	174 Å²	174	123.5 Å²	123.5	76%	0.757	70%	0.701	S	S	*	*			trans	-114.7	132	176.3	-65.6	-178.1	179	179.9	0	111.4
617	T	34.4	Very low	32.3	Very low	122 Å²	122	127.1 Å²	127.1	75%	0.748	71%	0.709	S	S	*	*			trans	-93.5	143	166.3	43.5	0	0	0	0	110.2	L619	T617-L619 VanDerWaalsContact C-N 3.28Å; T617-L619 PolarHBondContact O-N 2.83Å
618	P	26.4	Very low	30.8	Very low	125 Å²	125	131.7 Å²	131.7	81%	0.812	72%	0.724	S	S	*	*	S	Bend	trans	-83.9	11.9	-168.9	33.7	-37.7	0	0	0	115.2
619	L	25.9	Very low	29.8	Very low	135 Å²	135	137.9 Å²	137.9	71%	0.707	75%	0.746	S	S	*	*			trans	-116.4	96	-171.9	-77.1	161.9	0	0	0	111.6	T617 F621	T617-L619 VanDerWaalsContact C-N 3.28Å; T617-L619 PolarHBondContact O-N 2.83Å; L619-F621 HydrophobicContact CD2-CE2 4.16Å
620	K	23.8	Very low	28.7	Very low	210 Å²	210	138.4 Å²	138.4	91%	0.913	76%	0.756	S	S	*	*			trans	-88.9	133.4	158.5	-71	-169.3	173.1	-163.8	0	109
621	F	24.8	Very low	27.9	Very low	197 Å²	197	139.2 Å²	139.2	86%	0.864	76%	0.759	S	S	*	*			trans	-122.4	132.8	162.7	-87.6	-81.3	0	0	0	107.9	L619	L619-F621 HydrophobicContact CD2-CE2 4.16Å
622	G	27	Very low	27.3	Very low	73 Å²	73	139.2 Å²	139.2	75%	0.753	77%	0.766	S	S	*	*			trans	-130.8	131.5	-172.2	0	0	0	0	0	114.2
623	A	24.7	Very low	26.6	Very low	89 Å²	89	140.8 Å²	140.8	74%	0.736	78%	0.775	S	S	*	*			trans	49.7	133.9	133.8	0	0	0	0	0	123.5
624	I	23.1	Very low	26.3	Very low	171 Å²	171	139.2 Å²	139.2	88%	0.877	77%	0.773	S	S	*	*			trans	69.8	148.7	147.7	-66.7	166	0	0	0	115.7
625	S	23	Very low	25.9	Very low	90 Å²	90	143.9 Å²	143.9	63%	0.629	77%	0.774	S	S	*	*			cis	-117.3	-164.4	-1.1	54.9	0	0	0	0	110.5
626	D	28.2	Very low	25.5	Very low	136 Å²	136	143.4 Å²	143.4	73%	0.727	76%	0.764	S	S	*	*			cis	-133.6	175.2	-4.4	-85.3	-67.6	0	0	0	107.8
627	W	22.3	Very low	25.5	Very low	215 Å²	215	142.1 Å²	142.1	81%	0.814	77%	0.765	S	S	*	*			cis	87.7	138.4	20.1	-120	60.3	0	0	0	119.1
628	M	21.5	Very low	25.7	Very low	143 Å²	143	139.2 Å²	139.2	70%	0.704	76%	0.76	S	S	*	*			trans	59.7	128	-171	-57.2	-165.3	-172.3	0	0	118.1	K534	K534-M628 VanDerWaalsContact NZ-C 3.34Å; K534-M628 PolarHBondContact NZ-O 3.37Å
629	E	25.1	Very low	26.4	Very low	166 Å²	166	142.5 Å²	142.5	78%	0.776	76%	0.764	S	S	*	*				177.5	118.4	113.8	-124.3	-178.2	-174.9	0	0	105.7	K534	K534-E629 VanDerWaalsContact NZ-CB 3.28Å; K534-E629 PolarHBondContact NZ-O 2.84Å
630	A	22.6	Very low	27.5	Very low	96 Å²	96	139.8 Å²	139.8	79%	0.793	76%	0.757	S	S	*	*			trans	-75.1	169.6	172.6	0	0	0	0	0	110.5
631	R	23.8	Very low	29.8	Very low	232 Å²	232	131 Å²	131	88%	0.875	72%	0.719	S	S	*	*			trans	-136.4	126.4	169	-78.7	-174.6	167.5	-166.3	-6.7	109.8
632	D	23.4	Very low	32.6	Very low	162 Å²	162	124.7 Å²	124.7	87%	0.866	69%	0.689	S	S	*	*			trans	-68.4	150.9	167	-50.1	-61.3	0	0	0	110.3
633	L	25	Very low	35.3	Very low	130 Å²	130	125 Å²	125	68%	0.681	68%	0.68	S	S	*	*			trans	-133.5	151.8	171.7	-77.2	176.8	0	0	0	109.1
634	P	26.4	Very low	38.2	Very low	117 Å²	117	124.4 Å²	124.4	76%	0.76	66%	0.662	S	S	*	*			trans	-74.5	151.1	-167.5	30.1	-36.3	0	0	0	113.2
635	E	26	Very low	41.4	Very low	177 Å²	177	116.5 Å²	116.5	83%	0.827	62%	0.621	S	S	*	*			trans	-68.4	149.3	166.4	-60.6	-174.9	119	0	0	111.1
636	A	28.6	Very low	44.7	Very low	52 Å²	52	112.4 Å²	112.4	43%	0.43	59%	0.592	S	S	.	*			trans	-153.8	151.8	173.1	0	0	0	0	0	110.1	R276	R276-A636 PolarHBondContact NH1-O 2.94Å
637	D	30.2	Very low	47.7	Very low	146 Å²	146	109.7 Å²	109.7	78%	0.781	58%	0.578	S	S	*	*			trans	-103	132.8	-163	-50.2	-29.9	0	0	0	111.9	E639	D637-E639 PolarHBondContact O-N 2.79Å
638	G	37.2	Very low	50.9	Low	62 Å²	62	101.1 Å²	101.1	64%	0.639	55%	0.548	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.1	85.3	-159.4	0	0	0	0	0	116.9
639	E	41.3	Very low	54.3	Low	193 Å²	193	94.3 Å²	94.3	90%	0.902	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	-139.4	-30.6	149.6	-77.3	-153.6	153.4	0	0	114.3	D637 F641	D637-E639 PolarHBondContact O-N 2.79Å; E639-F641 PolarHBondContact O-N 3.03Å
640	S	48.5	Very low	57.5	Low	78 Å²	78	86.5 Å²	86.5	55%	0.545	48%	0.478	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-13.5	178.7	57	0	0	0	0	115	R642 S643 E644	S640-R642 PolarHBondContact O-N 2.76Å; S640-S643 PolarHBondContact O-N 3.1Å; S640-E644 PolarHBondContact O-N 3.47Å
641	F	72.4	Confident	60.8	Low	26 Å²	26	88.9 Å²	88.9	11%	0.114	47%	0.473	C	S	.	.	H	α-helix	trans	-70.1	-34.9	-153.3	-141.6	-85.5	0	0	0	114.9	F267 R269 E639 E644 F645	F267-F641 HydrophobicContact CB-CD1 4.36Å; F267-F641 WeakPolarHBondContact O-CD1 3.43Å; F267-F641 WeakPolarHBondContact O-CE1 3.4Å; R269-F641 HydrophobicContact CB-CE1 3.67Å; R269-F641 HydrophobicContact CB-CZ 3.53Å; E639-F641 PolarHBondContact O-N 3.03Å; F641-E644 PolarHBondContact O-N 3.49Å; F641-F645 VanDerWaalsContact O-CB 3.25Å; F641-F645 WeakPolarHBondContact O-CB 3.4Å; F641-F645 PolarHBondContact O-N 2.93Å
642	R	84.4	Confident	64.1	Low	65 Å²	65	78.7 Å²	78.7	25%	0.245	44%	0.438	C	S	.	.	H	α-helix	trans	-61.5	-49.1	179	174.4	175.8	174.9	-168.7	-0.8	111.3	Y252 S255 E256 F267 S640 F645 L646	Y252-R642 PolarHBondContact O-NH2 2.9Å; S255-R642 PolarHBondContact OG-NE 3.36Å; E256-R642 IonicContact OE1-CZ 3.42Å; E256-R642 IonicContact OE1-NH1 2.76Å; E256-R642 PolarHBondContact OE1-NH1 3.38Å; E256-R642 IonicContact OE1-NH2 3.58Å; E256-R642 PolarHBondContact OE1-NH2 3.2Å; F267-R642 HydrophobicContact CD2-CB 3.98Å; F267-R642 HydrophobicContact CD2-CG 3.93Å; F267-R642 HydrophobicContact CE2-CB 4.25Å; F267-R642 HydrophobicContact CE2-CG 3.69Å; F267-R642 HydrophobicContact CZ-CG 4.44Å; S640-R642 PolarHBondContact O-N 2.76Å; R642-F645 PolarHBondContact O-N 2.98Å; R642-L646 HydrophobicContact CG-CD1 3.97Å; R642-L646 HydrophobicContact CG-CG 4.49Å; R642-L646 VanDerWaalsContact O-CG 3.31Å; R642-L646 WeakPolarHBondContact O-CG 3.43Å; R642-L646 PolarHBondContact O-N 3.49Å
643	S	83	Confident	67.4	Low	80 Å²	80	72.7 Å²	72.7	56%	0.559	41%	0.406	S	S	*	.	H	α-helix	trans	-67.6	-37.3	-178.7	-62.7	0	0	0	0	111.5	S640 N647	S640-S643 PolarHBondContact O-N 3.1Å; S643-N647 WeakPolarHBondContact O-CB 3.4Å; S643-N647 PolarHBondContact O-N 2.83Å; S643-N647 VanDerWaalsContact O-N 3.1Å; S643-N647 PolarHBondContact O-ND2 3.4Å
644	E	85.9	Confident	70.5	Confident	76 Å²	76	70 Å²	70	36%	0.355	41%	0.409	S	S	.	.	H	α-helix	trans	-65.6	-47.3	173.8	-158.7	-162.5	135.5	0	0	111.5	R269 S640 F641 L646 N647 N648	R269-E644 IonicContact CZ-OE1 2.71Å; R269-E644 IonicContact NH1-OE1 3.56Å; R269-E644 PolarHBondContact NH1-OE1 3.2Å; R269-E644 IonicContact NH2-OE1 2.73Å; S640-E644 PolarHBondContact O-N 3.47Å; F641-E644 PolarHBondContact O-N 3.49Å; E644-L646 PolarHBondContact O-N 2.88Å; E644-N647 PolarHBondContact O-N 2.9Å; E644-N648 WeakPolarHBondContact O-CB 3.35Å; E644-N648 PolarHBondContact O-N 3.25Å; E644-N648 PolarHBondContact O-ND2 3.1Å; E644-N648 PolarHBondContact OE1-ND2 3.08Å
645	F	90.9	Very high	73.7	Confident	4 Å²	4	66.6 Å²	66.6	2%	0.018	38%	0.382	C	S	.	.	H	α-helix	trans	-57.2	-48.7	178.8	-169.6	-73	0	0	0	112	L251 F267 M422 I474 D476 F641 R642 N647 N648 V649	L251-F645 HydrophobicContact CD1-CE1 4.05Å; F267-F645 HydrophobicContact CB-CB 4Å; F267-F645 HydrophobicContact CB-CD1 4.47Å; F267-F645 HydrophobicContact CB-CD2 3.69Å; F267-F645 HydrophobicContact CB-CE2 4.21Å; F267-F645 HydrophobicContact CB-CG 3.82Å; F267-F645 HydrophobicContact CD1-CB 4.23Å; F267-F645 AromaticContact CD1-CD1 3.41Å; F267-F645 HydrophobicContact CD1-CD1 3.41Å; F267-F645 VanDerWaalsContact CD1-CD1 3.41Å; F267-F645 HydrophobicContact CD1-CD2 4.05Å; F267-F645 AromaticContact CD1-CE1 3.63Å; F267-F645 HydrophobicContact CD1-CE1 3.63Å; F267-F645 HydrophobicContact CD1-CE2 4.21Å; F267-F645 AromaticContact CD1-CG 3.64Å; F267-F645 HydrophobicContact CD1-CG 3.64Å; F267-F645 HydrophobicContact CD1-CZ 4.01Å; F267-F645 AromaticContact CE1-CD1 3.97Å; F267-F645 HydrophobicContact CE1-CD1 3.97Å; F267-F645 HydrophobicContact CE1-CE1 4.13Å; F267-F645 HydrophobicContact CG-CB 4.3Å; F267-F645 HydrophobicContact CG-CD1 4.28Å; F267-F645 HydrophobicContact CG-CD2 4.34Å; F267-F645 HydrophobicContact CG-CG 4.07Å; M422-F645 HydrophobicContact CB-CE1 4.28Å; M422-F645 HydrophobicContact CB-CZ 4.01Å; M422-F645 HydrophobicContact SD-CE1 3.99Å; M422-F645 HydrophobicContact SD-CZ 3.9Å; I474-F645 HydrophobicContact CG2-CZ 4.25Å; D476-F645 HydrophobicContact CB-CE2 3.56Å; D476-F645 HydrophobicContact CB-CZ 3.7Å; F641-F645 VanDerWaalsContact O-CB 3.25Å; F641-F645 WeakPolarHBondContact O-CB 3.4Å; F641-F645 PolarHBondContact O-N 2.93Å; R642-F645 PolarHBondContact O-N 2.98Å; F645-N647 PolarHBondContact O-N 3.33Å; F645-N648 WeakPolarHBondContact O-CB 3.49Å; F645-N648 PolarHBondContact O-N 3.38Å; F645-V649 HydrophobicContact CD1-CG2 4.04Å; F645-V649 HydrophobicContact CE1-CG2 3.87Å; F645-V649 WeakPolarHBondContact O-CG2 3.5Å; F645-V649 PolarHBondContact O-N 3.15Å
646	L	91.8	Very high	76.8	Confident	4 Å²	4	63.6 Å²	63.6	2%	0.021	38%	0.377	C	S	.	.	H	α-helix	trans	-65.8	-37.8	179.8	-66.9	177	0	0	0	112.1	L251 Y252 F267 R642 E644 V649 A650 L657	L251-L646 HydrophobicContact CB-CD2 3.56Å; L251-L646 HydrophobicContact CD1-CD2 4.39Å; Y252-L646 HydrophobicContact CD2-CD1 3.88Å; F267-L646 HydrophobicContact CE1-CD2 4.23Å; F267-L646 HydrophobicContact CZ-CD2 4.4Å; R642-L646 HydrophobicContact CG-CD1 3.97Å; R642-L646 HydrophobicContact CG-CG 4.49Å; R642-L646 VanDerWaalsContact O-CG 3.31Å; R642-L646 WeakPolarHBondContact O-CG 3.43Å; R642-L646 PolarHBondContact O-N 3.49Å; E644-L646 PolarHBondContact O-N 2.88Å; L646-V649 PolarHBondContact O-N 3.48Å; L646-A650 WeakPolarHBondContact O-CB 3.47Å; L646-A650 PolarHBondContact O-N 3.17Å; L646-L657 HydrophobicContact CB-CD1 3.83Å; L646-L657 HydrophobicContact CB-CD2 4.26Å
647	N	90.7	Very high	79.9	Confident	80 Å²	80	63.6 Å²	63.6	43%	0.428	37%	0.37	S	S	.	.	H	α-helix	trans	-66.8	-37.3	172.4	-80.1	-64.1	0	0	0	112.4	S643 E644 F645 V649 A650 Q651	S643-N647 WeakPolarHBondContact O-CB 3.4Å; S643-N647 PolarHBondContact O-N 2.83Å; S643-N647 VanDerWaalsContact O-N 3.1Å; S643-N647 PolarHBondContact O-ND2 3.4Å; E644-N647 PolarHBondContact O-N 2.9Å; F645-N647 PolarHBondContact O-N 3.33Å; N647-V649 VanDerWaalsContact C-N 3.34Å; N647-V649 PolarHBondContact O-N 2.89Å; N647-A650 PolarHBondContact O-N 3.34Å; N647-Q651 VanDerWaalsContact O-CB 3.28Å; N647-Q651 WeakPolarHBondContact O-CB 3.48Å; N647-Q651 PolarHBondContact O-N 3.09Å
648	N	90.8	Very high	82.9	Confident	35 Å²	35	60.1 Å²	60.1	19%	0.187	35%	0.346	C	S	.	.	H	α-helix	trans	-62.6	-39.9	174.3	-71.5	-31.5	0	0	0	111.3	E644 F645 A652	E644-N648 WeakPolarHBondContact O-CB 3.35Å; E644-N648 PolarHBondContact O-N 3.25Å; E644-N648 PolarHBondContact O-ND2 3.1Å; E644-N648 PolarHBondContact OE1-ND2 3.08Å; F645-N648 WeakPolarHBondContact O-CB 3.49Å; F645-N648 PolarHBondContact O-N 3.38Å; N648-A652 WeakPolarHBondContact O-CB 3.39Å; N648-A652 PolarHBondContact O-N 2.74Å
649	V	92.3	Very high	85.5	Confident	0 Å²	0	61.4 Å²	61.4	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-67.8	-41.1	173.9	177.8	0	0	0	0	111.8	L247 D248 L251 M422 L483 F645 L646 N647 A652 L653	L247-V649 HydrophobicContact CB-CG1 4.09Å; L247-V649 HydrophobicContact CD2-CG1 4.26Å; L247-V649 HydrophobicContact CG-CG1 4.39Å; D248-V649 HydrophobicContact CB-CB 4.31Å; D248-V649 HydrophobicContact CB-CG1 4Å; L251-V649 HydrophobicContact CD1-CG1 4.36Å; L251-V649 HydrophobicContact CD1-CG2 4.12Å; M422-V649 HydrophobicContact CE-CG2 4.03Å; M422-V649 HydrophobicContact SD-CG2 3.81Å; L483-V649 HydrophobicContact CD2-CG1 4.17Å; F645-V649 HydrophobicContact CD1-CG2 4.04Å; F645-V649 HydrophobicContact CE1-CG2 3.87Å; F645-V649 WeakPolarHBondContact O-CG2 3.5Å; F645-V649 PolarHBondContact O-N 3.15Å; L646-V649 PolarHBondContact O-N 3.48Å; N647-V649 VanDerWaalsContact C-N 3.34Å; N647-V649 PolarHBondContact O-N 2.89Å; V649-A652 WeakPolarHBondContact O-CB 3.47Å; V649-A652 PolarHBondContact O-N 3.36Å; V649-L653 HydrophobicContact CG1-CD1 4.37Å; V649-L653 WeakPolarHBondContact O-CG 3.44Å; V649-L653 PolarHBondContact O-N 3.49Å; V649-L653 VanDerWaalsContact O-N 3.07Å
650	A	92.6	Very high	87.9	Confident	2 Å²	2	59.9 Å²	59.9	2%	0.017	33%	0.33	C	S	.	.	H	α-helix	trans	-65.2	-42.1	176.1	0	0	0	0	0	112.4	D248 L646 N647 L653 G654 R655 L657	D248-A650 HydrophobicContact CB-CB 4.32Å; L646-A650 WeakPolarHBondContact O-CB 3.47Å; L646-A650 PolarHBondContact O-N 3.17Å; N647-A650 PolarHBondContact O-N 3.34Å; A650-L653 CarbonylContact O-C 3.24Å; A650-L653 WeakPolarHBondContact O-CA 2.94Å; A650-L653 WeakPolarHBondContact O-CB 3.47Å; A650-L653 PolarHBondContact O-N 3.37Å; A650-G654 PolarHBondContact O-N 3.21Å; A650-G654 VanDerWaalsContact O-N 3.13Å; A650-R655 CarbonylContact C-O 3.58Å; A650-R655 VanDerWaalsContact C-O 3.26Å; A650-R655 PolarHBondContact O-N 2.93Å; A650-L657 HydrophobicContact CB-CB 4.03Å; A650-L657 HydrophobicContact CB-CD1 4.45Å
651	Q	92.2	Very high	89.9	Confident	146 Å²	146	58 Å²	58	68%	0.682	32%	0.316	S	S	*	.	H	α-helix	trans	-62.9	-40.2	173.6	-173.3	179.9	9.6	0	0	111.7	N647 L653 G654	N647-Q651 VanDerWaalsContact O-CB 3.28Å; N647-Q651 WeakPolarHBondContact O-CB 3.48Å; N647-Q651 PolarHBondContact O-N 3.09Å; Q651-L653 PolarHBondContact O-N 2.68Å; Q651-G654 PolarHBondContact O-N 2.82Å
652	A	91.4	Very high	90.8	Very high	18 Å²	18	61.9 Å²	61.9	15%	0.149	34%	0.335	C	S	.	.	H	α-helix	trans	-62	-27.3	171.8	0	0	0	0	0	112.9	S480 A484 N648 V649 G654	S480-A652 WeakPolarHBondContact O-CB 3.49Å; A484-A652 VanDerWaalsContact CA-O 3.3Å; A484-A652 WeakPolarHBondContact CA-O 3.28Å; A484-A652 HydrophobicContact CB-CB 3.92Å; A484-A652 WeakPolarHBondContact CB-O 3.48Å; N648-A652 WeakPolarHBondContact O-CB 3.39Å; N648-A652 PolarHBondContact O-N 2.74Å; V649-A652 WeakPolarHBondContact O-CB 3.47Å; V649-A652 PolarHBondContact O-N 3.36Å; A652-G654 VanDerWaalsContact C-N 3.34Å
653	L	92.9	Very high	91.1	Very high	35 Å²	35	63.1 Å²	63.1	18%	0.183	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.6	2.8	171.9	-68.1	171.1	0	0	0	113.7	L244 L483 V649 A650 Q651 R655	L244-L653 WeakPolarHBondContact O-CD2 3.31Å; L483-L653 HydrophobicContact CD1-CD2 4.05Å; L483-L653 HydrophobicContact CD2-CD1 4.4Å; L483-L653 HydrophobicContact CD2-CD2 3.9Å; L483-L653 HydrophobicContact CD2-CG 3.98Å; L483-L653 HydrophobicContact CG-CD2 3.89Å; L483-L653 HydrophobicContact CG-CG 4.4Å; V649-L653 HydrophobicContact CG1-CD1 4.37Å; V649-L653 WeakPolarHBondContact O-CG 3.44Å; V649-L653 PolarHBondContact O-N 3.49Å; V649-L653 VanDerWaalsContact O-N 3.07Å; A650-L653 CarbonylContact O-C 3.24Å; A650-L653 WeakPolarHBondContact O-CA 2.94Å; A650-L653 WeakPolarHBondContact O-CB 3.47Å; A650-L653 PolarHBondContact O-N 3.37Å; Q651-L653 PolarHBondContact O-N 2.68Å; L653-R655 VanDerWaalsContact C-N 3.3Å; L653-R655 HydrophobicContact CB-CG 4.08Å; L653-R655 PolarHBondContact O-N 2.74Å
654	G	91.6	Very high	91.3	Very high	73 Å²	73	61.7 Å²	61.7	75%	0.753	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.4	22.1	176	0	0	0	0	0	114.8	A650 Q651 A652	A650-G654 PolarHBondContact O-N 3.21Å; A650-G654 VanDerWaalsContact O-N 3.13Å; Q651-G654 PolarHBondContact O-N 2.82Å; A652-G654 VanDerWaalsContact C-N 3.34Å
655	R	92.4	Very high	91.4	Very high	47 Å²	47	63.7 Å²	63.7	18%	0.177	36%	0.357	C	S	.	.	S	Bend	trans	-145.6	166.8	-173.8	61.2	168.7	177.4	69.4	-3.5	112.7	S245 D248 A650 L653	S245-R655 PolarHBondContact O-NH2 2.92Å; D248-R655 VanDerWaalsContact CG-NH1 3.31Å; D248-R655 IonicContact OD1-CZ 2.78Å; D248-R655 IonicContact OD1-NH1 2.69Å; D248-R655 PolarHBondContact OD1-NH1 3.32Å; D248-R655 IonicContact OD1-NH2 3.65Å; D248-R655 PolarHBondContact OD1-NH2 2.97Å; D248-R655 IonicContact OD2-CZ 3.05Å; D248-R655 IonicContact OD2-NH1 3.93Å; D248-R655 PolarHBondContact OD2-NH1 2.88Å; D248-R655 IonicContact OD2-NH2 2.81Å; A650-R655 CarbonylContact C-O 3.58Å; A650-R655 VanDerWaalsContact C-O 3.26Å; A650-R655 PolarHBondContact O-N 2.93Å; L653-R655 VanDerWaalsContact C-N 3.3Å; L653-R655 HydrophobicContact CB-CG 4.08Å; L653-R655 PolarHBondContact O-N 2.74Å
656	P	92.1	Very high	91.4	Very high	113 Å²	113	67.5 Å²	67.5	73%	0.734	39%	0.389	S	S	*	.			trans	-59.5	155.4	170.3	-23.7	35.1	0	0	0	112.8
657	L	92.6	Very high	91.4	Very high	53 Å²	53	70.4 Å²	70.4	28%	0.277	41%	0.408	S	S	.	.			trans	-59.2	131.2	172.2	174	59.4	0	0	0	110.8	D248 L646 A650 L659	D248-L657 HydrophobicContact CB-CD1 3.84Å; L646-L657 HydrophobicContact CB-CD1 3.83Å; L646-L657 HydrophobicContact CB-CD2 4.26Å; A650-L657 HydrophobicContact CB-CB 4.03Å; A650-L657 HydrophobicContact CB-CD1 4.45Å; L657-L659 HydrophobicContact CD2-CD2 4.11Å; L657-L659 HydrophobicContact CG-CD2 4.05Å
658	R	93.4	Very high	91.5	Very high	73 Å²	73	72 Å²	72	28%	0.275	42%	0.416	S	S	.	.			trans	-105.5	141.2	168.5	-69.3	175.3	-177.2	164.7	-8.2	109.9	N246 D248 A249 Q662	N246-R658 PolarHBondContact OD1-NH1 3.06Å; D248-R658 PolarHBondContact OD2-N 2.97Å; A249-R658 VanDerWaalsContact CA-O 3.3Å; A249-R658 WeakPolarHBondContact CA-O 3.3Å; A249-R658 HydrophobicContact CB-CB 3.86Å; R658-Q662 VanDerWaalsContact NH1-CD 3.35Å
659	L	91.7	Very high	91.6	Very high	88 Å²	88	71.4 Å²	71.4	46%	0.461	41%	0.413	S	S	.	.	S	Bend	trans	-99.5	-19.4	173.2	-50.7	-175.6	0	0	0	112	Y252 L657	Y252-L659 HydrophobicContact CD1-CB 3.96Å; Y252-L659 HydrophobicContact CD1-CD2 4.43Å; Y252-L659 VanDerWaalsContact CD1-O 3.27Å; Y252-L659 WeakPolarHBondContact CD1-O 3.34Å; Y252-L659 HydrophobicContact CD2-CD2 3.7Å; Y252-L659 HydrophobicContact CE1-CB 3.98Å; Y252-L659 HydrophobicContact CE2-CD2 3.81Å; Y252-L659 HydrophobicContact CG-CB 4.36Å; Y252-L659 HydrophobicContact CG-CD2 4.04Å; L657-L659 HydrophobicContact CD2-CD2 4.11Å; L657-L659 HydrophobicContact CG-CD2 4.05Å
660	E	91.4	Very high	91.6	Very high	162 Å²	162	74.5 Å²	74.5	76%	0.757	43%	0.429	S	S	*	.	S	Bend	trans	-117.8	133.9	176.1	-65	178.7	170.5	0	0	109.6	A249	A249-E660 VanDerWaalsContact CB-C 3.42Å; A249-E660 WeakPolarHBondContact CB-O 3.12Å
661	P	90.7	Very high	91.7	Very high	39 Å²	39	77.5 Å²	77.5	25%	0.253	44%	0.441	S	S	.	.	P	Polyproline II helix	trans	-69.5	149.3	175.3	29.7	-34.2	0	0	0	109.9	N246 A249 Y250	N246-P661 HydrophobicContact CB-CB 4.33Å; A249-P661 HydrophobicContact CB-CB 4.24Å; Y250-P661 HydrophobicContact CD1-CB 3.97Å; Y250-P661 HydrophobicContact CD1-CG 4.09Å; Y250-P661 HydrophobicContact CD2-CB 4.32Å; Y250-P661 HydrophobicContact CE1-CB 3.57Å; Y250-P661 HydrophobicContact CE1-CG 3.66Å; Y250-P661 HydrophobicContact CE2-CB 3.95Å; Y250-P661 HydrophobicContact CG-CB 4.32Å
662	Q	92.9	Very high	91.6	Very high	106 Å²	106	71 Å²	71	50%	0.495	41%	0.412	S	S	.	.	P	Polyproline II helix	trans	-64.7	147.7	164.7	-63	-172.6	-92.5	0	0	109.1	H242 N246 R658	H242-Q662 PolarHBondContact CE1-O 3.48Å; H242-Q662 PolarHBondContact NE2-O 3Å; N246-Q662 PolarHBondContact OD1-N 3.03Å; R658-Q662 VanDerWaalsContact NH1-CD 3.35Å
663	A	89.8	Confident	91.7	Very high	92 Å²	92	73.4 Å²	73.4	76%	0.76	42%	0.422	S	S	*	.	P	Polyproline II helix	trans	-54.2	145	170.4	0	0	0	0	0	110.6	H242	H242-A663 PolarHBondContact CE1-O 2.96Å
664	E	88.3	Confident	91.8	Very high	50 Å²	50	76.3 Å²	76.3	23%	0.234	44%	0.435	C	S	.	.	P	Polyproline II helix	trans	-67.3	142.4	175	-156.2	-176.6	-171.2	0	0	110.4	R235 H242	R235-E664 IonicContact CZ-OE1 2.74Å; R235-E664 IonicContact CZ-OE2 3.49Å; R235-E664 IonicContact NH1-OE1 2.73Å; R235-E664 PolarHBondContact NH1-OE1 2.73Å; R235-E664 IonicContact NH1-OE2 3.46Å; R235-E664 PolarHBondContact NH1-OE2 2.72Å; R235-E664 IonicContact NH2-OE1 3.42Å; R235-E664 PolarHBondContact NH2-OE1 3.31Å; R235-E664 IonicContact NH2-OE2 3.55Å; R235-E664 PolarHBondContact NH2-OE2 2.94Å; H242-E664 HydrophobicContact CB-CG 4.21Å
665	D	87.2	Confident	91.9	Very high	117 Å²	117	75.4 Å²	75.4	63%	0.626	41%	0.409	S	S	*	.	P	Polyproline II helix	trans	-56.6	148.4	164.7	-61.9	-67.9	0	0	0	109.7	Q238	Q238-D665 PolarHBondContact NE2-O 3.16Å
666	A	91.2	Very high	92	Very high	85 Å²	85	75 Å²	75	70%	0.702	41%	0.41	S	S	*	.	P	Polyproline II helix	trans	-50.2	135.5	177.6	0	0	0	0	0	111	Q238 L668	Q238-A666 PolarHBondContact NE2-O 2.8Å; A666-L668 PolarHBondContact O-N 3.44Å
667	P	92.2	Very high	92.2	Very high	65 Å²	65	73 Å²	73	42%	0.422	40%	0.396	S	S	.	.	P	Polyproline II helix	trans	-62.2	130.9	-173.4	25.9	-35.5	0	0	0	110.3	N669	P667-N669 PolarHBondContact O-N 3.04Å
668	L	91.4	Very high	92.4	Very high	112 Å²	112	77 Å²	77	59%	0.586	41%	0.413	S	S	*	.	S	Bend	trans	-57.4	-20.3	-176.6	-73.5	172.4	0	0	0	114	D234 Q238 A666	D234-L668 HydrophobicContact CB-CD1 4Å; Q238-L668 HydrophobicContact CB-CD1 4.01Å; Q238-L668 HydrophobicContact CG-CD1 4.41Å; A666-L668 PolarHBondContact O-N 3.44Å
669	N	94.1	Very high	92.5	Very high	24 Å²	24	75.1 Å²	75.1	13%	0.128	41%	0.408	C	S	.	.			trans	-161.6	162	167.9	54.7	87.4	0	0	0	108.8	E231 P667 Y671	E231-N669 VanDerWaalsContact C-ND2 3.35Å; E231-N669 PolarHBondContact O-ND2 3.16Å; P667-N669 PolarHBondContact O-N 3.04Å; N669-Y671 HydrophobicContact CB-CD2 3.67Å; N669-Y671 HydrophobicContact CB-CE2 3.72Å; N669-Y671 HydrophobicContact CB-CG 4.43Å; N669-Y671 VanDerWaalsContact OD1-CD2 3.26Å; N669-Y671 WeakPolarHBondContact OD1-CD2 3.43Å
670	N	92.2	Very high	92.8	Very high	64 Å²	64	74.9 Å²	74.9	34%	0.342	41%	0.408	S	S	.	.			trans	-117	20.2	-174.7	-171.8	51.3	0	0	0	112.5	A672 N673 E674	N670-A672 PolarHBondContact O-N 3.39Å; N670-N673 PolarHBondContact O-N 2.97Å; N670-N673 WeakPolarHBondContact OD1-CB 3.29Å; N670-N673 PolarHBondContact OD1-ND2 2.84Å; N670-E674 WeakPolarHBondContact CB-OE1 3.39Å; N670-E674 PolarHBondContact ND2-OE1 3.48Å; N670-E674 PolarHBondContact O-N 2.98Å; N670-E674 VanDerWaalsContact O-N 3.16Å
671	Y	93.7	Very high	93	Very high	66 Å²	66	69.3 Å²	69.3	26%	0.259	38%	0.382	S	S	.	.	H	α-helix	trans	-57.2	-25.5	-176.6	-65.4	-50.9	0	0	0	113.9	H228 E231 N669 R675	H228-Y671 HydrophobicContact CB-CD2 3.65Å; H228-Y671 HydrophobicContact CB-CE2 3.52Å; H228-Y671 HydrophobicContact CB-CG 4.27Å; H228-Y671 AromaticContact CD2-CE1 3.77Å; H228-Y671 AromaticContact CD2-CZ 3.86Å; H228-Y671 AromaticContact CE1-CZ 3.83Å; H228-Y671 PolarHBondContact CE1-OH 3.44Å; H228-Y671 AromaticContact CG-CE1 3.9Å; H228-Y671 AromaticContact CG-CE2 3.56Å; H228-Y671 AromaticContact CG-CZ 3.49Å; H228-Y671 VanDerWaalsContact CG-CZ 3.49Å; H228-Y671 AromaticContact ND1-CE2 3.81Å; H228-Y671 AromaticContact ND1-CZ 3.49Å; H228-Y671 PolarHBondContact ND1-OH 2.98Å; H228-Y671 AromaticContact NE2-CE1 3.97Å; E231-Y671 HydrophobicContact CB-CD2 4.15Å; E231-Y671 HydrophobicContact CB-CE2 3.71Å; E231-Y671 HydrophobicContact CG-CE2 4.09Å; N669-Y671 HydrophobicContact CB-CD2 3.67Å; N669-Y671 HydrophobicContact CB-CE2 3.72Å; N669-Y671 HydrophobicContact CB-CG 4.43Å; N669-Y671 VanDerWaalsContact OD1-CD2 3.26Å; N669-Y671 WeakPolarHBondContact OD1-CD2 3.43Å; Y671-R675 WeakPolarHBondContact O-CB 3.49Å; Y671-R675 PolarHBondContact O-N 2.86Å
672	A	91.5	Very high	93.3	Very high	9 Å²	9	70.8 Å²	70.8	7%	0.074	39%	0.385	C	S	.	.	H	α-helix	trans	-62	-42	172.7	0	0	0	0	0	112.8	W232 V434 N670 R813 A815	W232-A672 VanDerWaalsContact CH2-CA 3.48Å; W232-A672 HydrophobicContact CH2-CB 3.63Å; W232-A672 HydrophobicContact CZ2-CB 4.42Å; W232-A672 HydrophobicContact CZ3-CB 4.02Å; V434-A672 HydrophobicContact CG2-CB 3.97Å; N670-A672 PolarHBondContact O-N 3.39Å; A672-R813 WeakPolarHBondContact O-CD 3.46Å; A672-R813 PolarHBondContact O-NH1 3.32Å; A672-A815 WeakPolarHBondContact O-CB 3.46Å
673	N	93.4	Very high	93.6	Very high	69 Å²	69	69.8 Å²	69.8	37%	0.369	38%	0.38	S	S	.	.	H	α-helix	trans	-88.3	-20.9	-175.9	-61.5	12.8	0	0	0	111.6	N670 T677 Q816	N670-N673 PolarHBondContact O-N 2.97Å; N670-N673 WeakPolarHBondContact OD1-CB 3.29Å; N670-N673 PolarHBondContact OD1-ND2 2.84Å; N673-T677 WeakPolarHBondContact O-CG2 3.49Å; N673-Q816 PolarHBondContact O-NE2 3.42Å
674	E	94.1	Very high	93.9	Very high	95 Å²	95	67.2 Å²	67.2	44%	0.444	35%	0.351	S	S	.	.	H	α-helix	trans	-89.3	-28.3	-179.8	-71.2	161.5	-160.8	0	0	113.9	N670 L676 T677	N670-E674 WeakPolarHBondContact CB-OE1 3.39Å; N670-E674 PolarHBondContact ND2-OE1 3.48Å; N670-E674 PolarHBondContact O-N 2.98Å; N670-E674 VanDerWaalsContact O-N 3.16Å; E674-L676 PolarHBondContact O-N 3.02Å; E674-T677 PolarHBondContact O-N 3.03Å; E674-T677 PolarHBondContact O-OG1 3.03Å
675	R	94.1	Very high	94.4	Very high	54 Å²	54	64.8 Å²	64.8	20%	0.204	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	121	-175	176.6	170.1	179	92.4	-2.2	111.8	E225 L226 Y671 T677 E778 R813	E225-R675 PolarHBondContact O-NH1 3.1Å; E225-R675 VanDerWaalsContact O-NH1 3.12Å; E225-R675 PolarHBondContact O-NH2 3.26Å; E225-R675 IonicContact OE1-NH2 3.4Å; E225-R675 PolarHBondContact OE1-NH2 2.87Å; L226-R675 PolarHBondContact O-NH1 2.64Å; Y671-R675 WeakPolarHBondContact O-CB 3.49Å; Y671-R675 PolarHBondContact O-N 2.86Å; R675-T677 VanDerWaalsContact C-N 3.32Å; R675-T677 PolarHBondContact O-N 3.36Å; R675-E778 IonicContact CZ-OE1 2.72Å; R675-E778 IonicContact NE-OE1 2.7Å; R675-E778 PolarHBondContact NE-OE1 3.3Å; R675-E778 IonicContact NH2-OE1 3.24Å; R675-E778 PolarHBondContact NH2-OE1 2.95Å; R675-R813 VanDerWaalsContact O-CD 3.24Å; R675-R813 WeakPolarHBondContact O-CD 3.29Å
676	L	95	Very high	94.9	Very high	38 Å²	38	63 Å²	63	20%	0.199	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	71.5	5.1	-179.4	-54	174.4	0	0	0	116.3	E674 Q678 L679 T777 E778 P812	E674-L676 PolarHBondContact O-N 3.02Å; L676-Q678 VanDerWaalsContact C-N 3.27Å; L676-Q678 PolarHBondContact O-N 3.1Å; L676-L679 HydrophobicContact CB-CD1 4.34Å; L676-L679 HydrophobicContact CD2-CD1 3.93Å; L676-L679 PolarHBondContact O-N 2.7Å; L676-T777 HydrophobicContact CD1-CG2 4.2Å; L676-E778 HydrophobicContact CD1-CB 3.82Å; L676-P812 HydrophobicContact CB-CB 3.86Å
677	T	95.7	Very high	95.1	Very high	72 Å²	72	60.4 Å²	60.4	44%	0.442	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-21.3	177.4	59.2	0	0	0	0	113.7	N673 E674 R675 L679 P812	N673-T677 WeakPolarHBondContact O-CG2 3.49Å; E674-T677 PolarHBondContact O-N 3.03Å; E674-T677 PolarHBondContact O-OG1 3.03Å; R675-T677 VanDerWaalsContact C-N 3.32Å; R675-T677 PolarHBondContact O-N 3.36Å; T677-L679 PolarHBondContact O-N 3.04Å; T677-P812 HydrophobicContact CG2-CG 4.16Å
678	Q	96	Very high	95.4	Very high	136 Å²	136	57.3 Å²	57.3	64%	0.636	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.4	-8.3	176.7	82.7	-69.5	-4.1	0	0	113.7	L676	L676-Q678 VanDerWaalsContact C-N 3.27Å; L676-Q678 PolarHBondContact O-N 3.1Å
679	L	96.9	Very high	95.6	Very high	34 Å²	34	54 Å²	54	18%	0.178	27%	0.271	C	S	.	.	S	Bend	trans	-86.4	130.6	179.7	-61.6	-174.4	0	0	0	111.3	L676 T677 Q683 R684	L676-L679 HydrophobicContact CB-CD1 4.34Å; L676-L679 HydrophobicContact CD2-CD1 3.93Å; L676-L679 PolarHBondContact O-N 2.7Å; T677-L679 PolarHBondContact O-N 3.04Å; L679-Q683 HydrophobicContact CB-CB 4.02Å; L679-Q683 HydrophobicContact CD2-CB 4.2Å; L679-R684 HydrophobicContact CB-CG 3.66Å; L679-R684 HydrophobicContact CD1-CG 4.35Å; L679-R684 PolarHBondContact O-NE 3.26Å; L679-R684 PolarHBondContact O-NH2 3.39Å
680	N	96.6	Very high	95.7	Very high	84 Å²	84	58.5 Å²	58.5	45%	0.449	29%	0.291	S	S	.	.			trans	-69	171.9	171.9	75.1	38.6	0	0	0	111.6	Q682 Q683 R684	N680-Q682 VanDerWaalsContact C-N 3.32Å; N680-Q682 PolarHBondContact O-N 3.24Å; N680-Q682 WeakPolarHBondContact OD1-CB 3.17Å; N680-Q682 PolarHBondContact OD1-N 3.07Å; N680-Q682 VanDerWaalsContact OD1-N 3.09Å; N680-Q683 PolarHBondContact ND2-OE1 3.2Å; N680-Q683 PolarHBondContact O-N 3.48Å; N680-Q683 WeakPolarHBondContact OD1-CG 3.34Å; N680-Q683 PolarHBondContact OD1-N 2.91Å; N680-R684 PolarHBondContact O-N 3.47Å
681	Q	96.5	Very high	95.8	Very high	45 Å²	45	56.5 Å²	56.5	21%	0.21	28%	0.28	C	S	.	.	H	α-helix	trans	-63.8	-34.8	-172.8	-157.4	62.5	40.6	0	0	113.2	R684 C685 K807 S808 I810 C869	Q681-R684 VanDerWaalsContact CD-NH1 3.35Å; Q681-C685 WeakPolarHBondContact O-CB 3.28Å; Q681-C685 PolarHBondContact O-N 3.14Å; Q681-K807 PolarHBondContact NE2-O 3.02Å; Q681-S808 PolarHBondContact NE2-O 3.24Å; Q681-I810 PolarHBondContact NE2-O 2.87Å; Q681-C869 VanDerWaalsContact CG-SG 3.56Å
682	Q	97	Very high	95.8	Very high	70 Å²	70	53.3 Å²	53.3	33%	0.327	27%	0.267	S	S	.	.	H	α-helix	trans	-65.9	-52.1	173.8	-172.5	62.8	50.5	0	0	110.7	N680 R684 C685 D686	N680-Q682 VanDerWaalsContact C-N 3.32Å; N680-Q682 PolarHBondContact O-N 3.24Å; N680-Q682 WeakPolarHBondContact OD1-CB 3.17Å; N680-Q682 PolarHBondContact OD1-N 3.07Å; N680-Q682 VanDerWaalsContact OD1-N 3.09Å; Q682-R684 PolarHBondContact O-N 2.99Å; Q682-C685 CarbonylContact O-C 3.57Å; Q682-C685 WeakPolarHBondContact O-CA 3.42Å; Q682-C685 VanDerWaalsContact O-CB 3.29Å; Q682-C685 WeakPolarHBondContact O-CB 3.36Å; Q682-C685 PolarHBondContact O-N 3.22Å; Q682-D686 PolarHBondContact NE2-OD1 2.76Å; Q682-D686 PolarHBondContact O-N 3.4Å
683	Q	97.8	Very high	95.8	Very high	84 Å²	84	54.8 Å²	54.8	39%	0.393	28%	0.277	S	S	.	.	H	α-helix	trans	-58.7	-34.9	178.7	-68.8	169.2	-33	0	0	112.6	L679 N680 A687	L679-Q683 HydrophobicContact CB-CB 4.02Å; L679-Q683 HydrophobicContact CD2-CB 4.2Å; N680-Q683 PolarHBondContact ND2-OE1 3.2Å; N680-Q683 PolarHBondContact O-N 3.48Å; N680-Q683 WeakPolarHBondContact OD1-CG 3.34Å; N680-Q683 PolarHBondContact OD1-N 2.91Å; Q683-A687 VanDerWaalsContact O-CB 3.31Å; Q683-A687 WeakPolarHBondContact O-CB 3.47Å; Q683-A687 PolarHBondContact O-N 3.47Å
684	R	97.5	Very high	95.6	Very high	38 Å²	38	56.5 Å²	56.5	14%	0.143	29%	0.286	C	S	.	.	H	α-helix	trans	-69.4	-35.2	173.1	-83.4	-171.5	-86.4	117.2	6.4	113	L679 N680 Q681 Q682 F688 T777 I810	L679-R684 HydrophobicContact CB-CG 3.66Å; L679-R684 HydrophobicContact CD1-CG 4.35Å; L679-R684 PolarHBondContact O-NE 3.26Å; L679-R684 PolarHBondContact O-NH2 3.39Å; N680-R684 PolarHBondContact O-N 3.47Å; Q681-R684 VanDerWaalsContact CD-NH1 3.35Å; Q682-R684 PolarHBondContact O-N 2.99Å; R684-F688 WeakPolarHBondContact O-CB 3.15Å; R684-F688 PolarHBondContact O-N 3.3Å; R684-F688 VanDerWaalsContact O-N 3.1Å; R684-T777 WeakPolarHBondContact CB-OG1 3.4Å; R684-T777 HydrophobicContact CG-CG2 4.38Å; R684-T777 WeakPolarHBondContact O-CG2 3.32Å; R684-T777 PolarHBondContact O-OG1 3.46Å; R684-I810 HydrophobicContact CB-CG2 4.27Å; R684-I810 PolarHBondContact NH1-O 3.41Å
685	C	97.9	Very high	95.1	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-67.8	-49.8	171.9	-166.2	0	0	0	0	111.3	Q681 Q682 A687 F688 I689 K807 I810	Q681-C685 WeakPolarHBondContact O-CB 3.28Å; Q681-C685 PolarHBondContact O-N 3.14Å; Q682-C685 CarbonylContact O-C 3.57Å; Q682-C685 WeakPolarHBondContact O-CA 3.42Å; Q682-C685 VanDerWaalsContact O-CB 3.29Å; Q682-C685 WeakPolarHBondContact O-CB 3.36Å; Q682-C685 PolarHBondContact O-N 3.22Å; C685-A687 PolarHBondContact O-N 3.28Å; C685-F688 WeakPolarHBondContact O-CB 3.26Å; C685-F688 PolarHBondContact O-N 3.43Å; C685-F688 VanDerWaalsContact O-N 3.16Å; C685-I689 WeakPolarHBondContact O-CB 3.21Å; C685-I689 VanDerWaalsContact O-CG1 3.3Å; C685-I689 WeakPolarHBondContact O-CG1 3.45Å; C685-I689 PolarHBondContact O-N 2.96Å; C685-K807 HydrophobicContact CB-CG 4.05Å; C685-I810 HydrophobicContact CB-CD1 3.97Å
686	D	97.5	Very high	94.7	Very high	78 Å²	78	54.4 Å²	54.4	42%	0.417	28%	0.284	S	S	.	.	H	α-helix	trans	-58.4	-48	-179	-56.2	-27.3	0	0	0	111.3	Q682 I689 Q690	Q682-D686 PolarHBondContact NE2-OD1 2.76Å; Q682-D686 PolarHBondContact O-N 3.4Å; D686-I689 PolarHBondContact O-N 3.21Å; D686-Q690 WeakPolarHBondContact O-CB 3.09Å; D686-Q690 PolarHBondContact O-N 2.91Å
687	A	96.6	Very high	94.2	Very high	32 Å²	32	58.2 Å²	58.2	26%	0.264	30%	0.304	S	S	.	.	H	α-helix	trans	-70.6	-30.2	178.5	0	0	0	0	0	113.3	Q683 C685 F691 T777	Q683-A687 VanDerWaalsContact O-CB 3.31Å; Q683-A687 WeakPolarHBondContact O-CB 3.47Å; Q683-A687 PolarHBondContact O-N 3.47Å; C685-A687 PolarHBondContact O-N 3.28Å; A687-F691 PolarHBondContact O-N 3.12Å; A687-F691 VanDerWaalsContact O-N 3.1Å; A687-T777 HydrophobicContact CB-CG2 3.62Å
688	F	97.3	Very high	93.9	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-66	-50.5	171.4	170.2	-97.2	0	0	0	110.8	R684 C685 Q690 F691 A692 V782 L805 I810 Y863 I865	R684-F688 WeakPolarHBondContact O-CB 3.15Å; R684-F688 PolarHBondContact O-N 3.3Å; R684-F688 VanDerWaalsContact O-N 3.1Å; C685-F688 WeakPolarHBondContact O-CB 3.26Å; C685-F688 PolarHBondContact O-N 3.43Å; C685-F688 VanDerWaalsContact O-N 3.16Å; F688-Q690 VanDerWaalsContact C-N 3.32Å; F688-Q690 PolarHBondContact O-N 2.92Å; F688-F691 PolarHBondContact O-N 3.34Å; F688-A692 VanDerWaalsContact O-CB 3.23Å; F688-A692 WeakPolarHBondContact O-CB 3.27Å; F688-A692 PolarHBondContact O-N 3.36Å; F688-V782 HydrophobicContact CZ-CG1 4.21Å; F688-L805 HydrophobicContact CE1-CD2 3.79Å; F688-L805 HydrophobicContact CZ-CD2 3.71Å; F688-I810 HydrophobicContact CB-CG2 4.01Å; F688-I810 HydrophobicContact CD1-CD1 3.98Å; F688-I810 HydrophobicContact CD2-CG2 4.42Å; F688-I810 HydrophobicContact CE1-CD1 4.49Å; F688-I810 HydrophobicContact CG-CD1 4.34Å; F688-I810 HydrophobicContact CG-CG2 4.2Å; F688-Y863 AromaticContact CE1-CD2 3.65Å; F688-Y863 HydrophobicContact CE1-CD2 3.65Å; F688-Y863 HydrophobicContact CE1-CE2 4.08Å; F688-Y863 HydrophobicContact CE2-CE2 4.19Å; F688-Y863 AromaticContact CZ-CD2 3.5Å; F688-Y863 HydrophobicContact CZ-CD2 3.5Å; F688-Y863 VanDerWaalsContact CZ-CD2 3.5Å; F688-Y863 AromaticContact CZ-CE2 3.49Å; F688-Y863 HydrophobicContact CZ-CE2 3.49Å; F688-Y863 VanDerWaalsContact CZ-CE2 3.49Å; F688-Y863 HydrophobicContact CZ-CG 4.46Å; F688-I865 HydrophobicContact CD1-CD1 3.9Å; F688-I865 HydrophobicContact CE1-CD1 3.8Å; F688-I865 HydrophobicContact CE1-CG1 4.42Å
689	I	97	Very high	93.8	Very high	41 Å²	41	52.3 Å²	52.3	21%	0.21	27%	0.268	C	S	.	.	H	α-helix	trans	-55.8	-48	176.1	-73	168.8	0	0	0	110.3	C685 D686 S693 C700 I865	C685-I689 WeakPolarHBondContact O-CB 3.21Å; C685-I689 VanDerWaalsContact O-CG1 3.3Å; C685-I689 WeakPolarHBondContact O-CG1 3.45Å; C685-I689 PolarHBondContact O-N 2.96Å; D686-I689 PolarHBondContact O-N 3.21Å; I689-S693 VanDerWaalsContact O-CB 3.27Å; I689-S693 WeakPolarHBondContact O-CB 3.37Å; I689-S693 PolarHBondContact O-N 3.36Å; I689-S693 PolarHBondContact O-OG 3.11Å; I689-C700 HydrophobicContact CB-CB 4.31Å; I689-C700 HydrophobicContact CG1-CB 4Å; I689-C700 HydrophobicContact CG2-CB 4Å; I689-I865 HydrophobicContact CD1-CD1 3.84Å; I689-I865 HydrophobicContact CG1-CD1 3.46Å; I689-I865 VanDerWaalsContact CG1-CD1 3.46Å
690	Q	95.5	Very high	93.7	Very high	120 Å²	120	51.8 Å²	51.8	56%	0.561	27%	0.266	S	S	*	.	H	α-helix	trans	-60.6	-52.9	-179.4	-170.7	-179.4	14.2	0	0	111.5	D686 F688 A692 S693 D694	D686-Q690 WeakPolarHBondContact O-CB 3.09Å; D686-Q690 PolarHBondContact O-N 2.91Å; F688-Q690 VanDerWaalsContact C-N 3.32Å; F688-Q690 PolarHBondContact O-N 2.92Å; Q690-A692 PolarHBondContact O-N 2.88Å; Q690-S693 PolarHBondContact O-N 3.27Å; Q690-D694 WeakPolarHBondContact CG-OD2 3.24Å; Q690-D694 PolarHBondContact NE2-OD2 2.93Å; Q690-D694 VanDerWaalsContact O-CB 3.26Å; Q690-D694 WeakPolarHBondContact O-CB 3.24Å; Q690-D694 PolarHBondContact O-N 2.74Å
691	F	93.5	Very high	93.7	Very high	21 Å²	21	49.7 Å²	49.7	9%	0.092	25%	0.254	C	S	.	.	H	α-helix	trans	-67.4	-39.6	-177.4	-170.9	-93.3	0	0	0	112.6	R447 A687 F688 S693 V695 M696 S779	R447-F691 HydrophobicContact CB-CZ 4.48Å; R447-F691 HydrophobicContact CG-CE2 4.28Å; R447-F691 HydrophobicContact CG-CZ 4.06Å; A687-F691 PolarHBondContact O-N 3.12Å; A687-F691 VanDerWaalsContact O-N 3.1Å; F688-F691 PolarHBondContact O-N 3.34Å; F691-S693 VanDerWaalsContact C-N 3.33Å; F691-S693 PolarHBondContact O-N 2.95Å; F691-V695 HydrophobicContact CD1-CB 4.48Å; F691-V695 HydrophobicContact CD2-CB 3.91Å; F691-V695 HydrophobicContact CD2-CG1 4.4Å; F691-V695 HydrophobicContact CD2-CG2 3.64Å; F691-V695 HydrophobicContact CE1-CB 4.3Å; F691-V695 HydrophobicContact CE1-CG1 4.33Å; F691-V695 HydrophobicContact CE2-CB 3.71Å; F691-V695 HydrophobicContact CE2-CG1 3.69Å; F691-V695 HydrophobicContact CE2-CG2 3.67Å; F691-V695 HydrophobicContact CG-CB 4.32Å; F691-V695 HydrophobicContact CG-CG2 4.37Å; F691-V695 HydrophobicContact CZ-CB 3.92Å; F691-V695 HydrophobicContact CZ-CG1 3.65Å; F691-V695 HydrophobicContact CZ-CG2 4.39Å; F691-V695 WeakPolarHBondContact O-CB 3.25Å; F691-V695 PolarHBondContact O-N 2.89Å; F691-V695 VanDerWaalsContact O-N 3.09Å; F691-M696 HydrophobicContact CD1-CG 3.92Å; F691-M696 HydrophobicContact CE1-CG 3.62Å; F691-M696 HydrophobicContact CE1-SD 3.87Å; F691-M696 HydrophobicContact CZ-SD 4.36Å; F691-M696 PolarHBondContact O-N 2.78Å; F691-M696 VanDerWaalsContact O-N 3.16Å; F691-S779 WeakPolarHBondContact CD1-O 3.12Å; F691-S779 WeakPolarHBondContact CE1-O 3.37Å
692	A	93.5	Very high	93.7	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-61	-42.4	176.2	0	0	0	0	0	111.8	F688 Q690 M696 L697 T698 C700 Y863	F688-A692 VanDerWaalsContact O-CB 3.23Å; F688-A692 WeakPolarHBondContact O-CB 3.27Å; F688-A692 PolarHBondContact O-N 3.36Å; Q690-A692 PolarHBondContact O-N 2.88Å; A692-M696 CarbonylContact O-C 3.42Å; A692-M696 VanDerWaalsContact O-C 3.26Å; A692-M696 WeakPolarHBondContact O-CA 3.37Å; A692-M696 WeakPolarHBondContact O-CB 2.99Å; A692-M696 PolarHBondContact O-N 3.11Å; A692-L697 PolarHBondContact O-N 3.12Å; A692-L697 VanDerWaalsContact O-N 3.11Å; A692-T698 CarbonylContact C-O 3.45Å; A692-T698 WeakPolarHBondContact O-CB 3.38Å; A692-T698 PolarHBondContact O-N 3.3Å; A692-C700 VanDerWaalsContact CB-SG 3.53Å; A692-Y863 HydrophobicContact CB-CD2 4.13Å; A692-Y863 HydrophobicContact CB-CE2 3.77Å
693	S	93.1	Very high	93.8	Very high	39 Å²	39	48.4 Å²	48.4	27%	0.273	25%	0.251	S	S	.	.	H	α-helix	trans	-75.3	-56.3	-179.6	-51.9	0	0	0	0	112.1	I689 Q690 F691 L697 T698	I689-S693 VanDerWaalsContact O-CB 3.27Å; I689-S693 WeakPolarHBondContact O-CB 3.37Å; I689-S693 PolarHBondContact O-N 3.36Å; I689-S693 PolarHBondContact O-OG 3.11Å; Q690-S693 PolarHBondContact O-N 3.27Å; F691-S693 VanDerWaalsContact C-N 3.33Å; F691-S693 PolarHBondContact O-N 2.95Å; S693-L697 WeakPolarHBondContact O-CA 3.42Å; S693-L697 PolarHBondContact O-N 2.78Å; S693-T698 WeakPolarHBondContact CA-O 3.21Å
694	D	88.7	Confident	93.7	Very high	106 Å²	106	47 Å²	47	57%	0.567	25%	0.25	S	S	*	.	H	α-helix	trans	-74.9	-31.2	-169.2	-64.5	-5.9	0	0	0	113	Q690	Q690-D694 WeakPolarHBondContact CG-OD2 3.24Å; Q690-D694 PolarHBondContact NE2-OD2 2.93Å; Q690-D694 VanDerWaalsContact O-CB 3.26Å; Q690-D694 WeakPolarHBondContact O-CB 3.24Å; Q690-D694 PolarHBondContact O-N 2.74Å
695	V	84.5	Confident	93.7	Very high	77 Å²	77	49.2 Å²	49.2	47%	0.467	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.1	-40.3	-171.9	-172.2	0	0	0	0	112.3	F691	F691-V695 HydrophobicContact CD1-CB 4.48Å; F691-V695 HydrophobicContact CD2-CB 3.91Å; F691-V695 HydrophobicContact CD2-CG1 4.4Å; F691-V695 HydrophobicContact CD2-CG2 3.64Å; F691-V695 HydrophobicContact CE1-CB 4.3Å; F691-V695 HydrophobicContact CE1-CG1 4.33Å; F691-V695 HydrophobicContact CE2-CB 3.71Å; F691-V695 HydrophobicContact CE2-CG1 3.69Å; F691-V695 HydrophobicContact CE2-CG2 3.67Å; F691-V695 HydrophobicContact CG-CB 4.32Å; F691-V695 HydrophobicContact CG-CG2 4.37Å; F691-V695 HydrophobicContact CZ-CB 3.92Å; F691-V695 HydrophobicContact CZ-CG1 3.65Å; F691-V695 HydrophobicContact CZ-CG2 4.39Å; F691-V695 WeakPolarHBondContact O-CB 3.25Å; F691-V695 PolarHBondContact O-N 2.89Å; F691-V695 VanDerWaalsContact O-N 3.09Å
696	M	83.7	Confident	93.5	Very high	28 Å²	28	54.1 Å²	54.1	14%	0.138	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.9	3.1	-178.8	-53.4	-54.3	-66.4	0	0	113.6	F691 A692 T698 S839 P841	F691-M696 HydrophobicContact CD1-CG 3.92Å; F691-M696 HydrophobicContact CE1-CG 3.62Å; F691-M696 HydrophobicContact CE1-SD 3.87Å; F691-M696 HydrophobicContact CZ-SD 4.36Å; F691-M696 PolarHBondContact O-N 2.78Å; F691-M696 VanDerWaalsContact O-N 3.16Å; A692-M696 CarbonylContact O-C 3.42Å; A692-M696 VanDerWaalsContact O-C 3.26Å; A692-M696 WeakPolarHBondContact O-CA 3.37Å; A692-M696 WeakPolarHBondContact O-CB 2.99Å; A692-M696 PolarHBondContact O-N 3.11Å; M696-T698 PolarHBondContact O-N 2.75Å; M696-T698 PolarHBondContact O-OG1 2.86Å; M696-T698 VanDerWaalsContact O-OG1 3.08Å; M696-S839 VanDerWaalsContact CB-O 3.32Å; M696-S839 WeakPolarHBondContact CB-O 3.32Å; M696-S839 VanDerWaalsContact CE-O 3.27Å; M696-S839 WeakPolarHBondContact CE-O 3.43Å; M696-S839 WeakPolarHBondContact CE-OG 3.15Å; M696-S839 VanDerWaalsContact CG-O 3.27Å; M696-S839 WeakPolarHBondContact CG-O 3.29Å; M696-P841 WeakPolarHBondContact O-CD 3.46Å
697	L	85.2	Confident	93.5	Very high	117 Å²	117	56 Å²	56	61%	0.613	31%	0.307	S	S	*	.			trans	52.3	28.6	177.5	-54.9	178.2	0	0	0	113.6	A692 S693	A692-L697 PolarHBondContact O-N 3.12Å; A692-L697 VanDerWaalsContact O-N 3.11Å; S693-L697 WeakPolarHBondContact O-CA 3.42Å; S693-L697 PolarHBondContact O-N 2.78Å
698	T	90.1	Very high	93.6	Very high	1 Å²	1	54.5 Å²	54.5	1%	0.006	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-101.8	119.1	-175.5	-65.7	0	0	0	0	108.5	A692 S693 M696 C700 A861 Y863	A692-T698 CarbonylContact C-O 3.45Å; A692-T698 WeakPolarHBondContact O-CB 3.38Å; A692-T698 PolarHBondContact O-N 3.3Å; S693-T698 WeakPolarHBondContact CA-O 3.21Å; M696-T698 PolarHBondContact O-N 2.75Å; M696-T698 PolarHBondContact O-OG1 2.86Å; M696-T698 VanDerWaalsContact O-OG1 3.08Å; T698-C700 PolarHBondContact O-N 3.19Å; T698-A861 HydrophobicContact CG2-CB 3.69Å; T698-Y863 HydrophobicContact CG2-CD1 3.82Å; T698-Y863 HydrophobicContact CG2-CD2 3.82Å; T698-Y863 HydrophobicContact CG2-CE1 3.68Å; T698-Y863 HydrophobicContact CG2-CE2 3.67Å; T698-Y863 HydrophobicContact CG2-CG 3.9Å
699	R	92.9	Very high	93.6	Very high	84 Å²	84	55.1 Å²	55.1	32%	0.317	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	120.6	-179.7	170.9	174.9	169.7	177.3	-11.5	109.4	E701 L715 E718 A861 V862 Y863	R699-E701 IonicContact CZ-OE2 3.51Å; R699-E701 IonicContact NE-OE2 2.73Å; R699-E701 IonicContact NH2-OE2 2.7Å; R699-E701 PolarHBondContact NH2-OE2 2.97Å; R699-L715 VanDerWaalsContact NH2-CD2 3.3Å; R699-E718 IonicContact CZ-OE2 2.93Å; R699-E718 VanDerWaalsContact CZ-OE2 3.27Å; R699-E718 IonicContact NH1-OE2 3.5Å; R699-E718 PolarHBondContact NH1-OE2 2.88Å; R699-E718 IonicContact NH2-OE1 3.17Å; R699-E718 IonicContact NH2-OE2 2.77Å; R699-E718 PolarHBondContact NH2-OE2 3.16Å; R699-E718 VanDerWaalsContact NH2-OE2 3.13Å; R699-A861 PolarHBondContact N-O 2.93Å; R699-V862 HydrophobicContact CB-CG1 4.39Å; R699-V862 HydrophobicContact CB-CG2 4.39Å; R699-V862 HydrophobicContact CG-CG1 4.39Å; R699-V862 CarbonylContact O-C 3.51Å; R699-V862 VanDerWaalsContact O-CA 3.3Å; R699-V862 WeakPolarHBondContact O-CA 3.42Å; R699-V862 WeakPolarHBondContact O-CG1 3.45Å; R699-Y863 PolarHBondContact O-N 3.43Å
700	C	95.9	Very high	93.6	Very high	22 Å²	22	59.2 Å²	59.2	15%	0.149	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	145.1	167.5	-60.7	0	0	0	0	110.5	I689 A692 T698 Y863 I865	I689-C700 HydrophobicContact CB-CB 4.31Å; I689-C700 HydrophobicContact CG1-CB 4Å; I689-C700 HydrophobicContact CG2-CB 4Å; A692-C700 VanDerWaalsContact CB-SG 3.53Å; T698-C700 PolarHBondContact O-N 3.19Å; C700-Y863 CarbonylContact C-O 3.49Å; C700-Y863 WeakPolarHBondContact CA-O 3.41Å; C700-I865 HydrophobicContact CB-CD1 4.38Å
701	E	96.4	Very high	93.7	Very high	40 Å²	40	53.6 Å²	53.6	19%	0.187	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	133.6	170.1	-169.5	169	136.2	0	0	109	R699 R714 Y863 L864 I865	R699-E701 IonicContact CZ-OE2 3.51Å; R699-E701 IonicContact NE-OE2 2.73Å; R699-E701 IonicContact NH2-OE2 2.7Å; R699-E701 PolarHBondContact NH2-OE2 2.97Å; E701-R714 IonicContact OE1-CZ 3.18Å; E701-R714 VanDerWaalsContact OE1-CZ 3.28Å; E701-R714 IonicContact OE1-NH1 3.28Å; E701-R714 PolarHBondContact OE1-NH1 3.27Å; E701-R714 IonicContact OE1-NH2 2.71Å; E701-R714 PolarHBondContact OE1-NH2 3.09Å; E701-R714 IonicContact OE2-CZ 3.36Å; E701-R714 IonicContact OE2-NH2 3.97Å; E701-R714 PolarHBondContact OE2-NH2 3.2Å; E701-Y863 PolarHBondContact N-O 3.3Å; E701-L864 HydrophobicContact CB-CD1 4.15Å; E701-L864 HydrophobicContact CG-CD1 4.37Å; E701-I865 PolarHBondContact O-N 3.04Å
702	L	96.9	Very high	93.9	Very high	71 Å²	71	52.6 Å²	52.6	37%	0.372	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	127.8	178.3	-175.7	67.8	0	0	0	109.1	I865 E867	L702-I865 WeakPolarHBondContact CA-O 3.4Å; L702-I865 HydrophobicContact CD1-CB 3.86Å; L702-I865 HydrophobicContact CD1-CG2 3.64Å; L702-E867 HydrophobicContact CD1-CB 4.05Å; L702-E867 HydrophobicContact CG-CB 4.34Å
703	T	97.7	Very high	94	Very high	17 Å²	17	53.3 Å²	53.3	10%	0.104	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	155.8	-179.1	-163.5	0	0	0	0	111	K707 A711 L864 I865 I866 E867	T703-K707 WeakPolarHBondContact OG1-CB 3.24Å; T703-A711 HydrophobicContact CG2-CB 4.3Å; T703-L864 HydrophobicContact CG2-CD1 3.58Å; T703-L864 HydrophobicContact CG2-CD2 4.24Å; T703-L864 HydrophobicContact CG2-CG 3.93Å; T703-I865 PolarHBondContact N-O 2.98Å; T703-I866 HydrophobicContact CG2-CD1 3.84Å; T703-I866 CarbonylContact O-C 3.6Å; T703-I866 WeakPolarHBondContact O-CA 3.43Å; T703-E867 WeakPolarHBondContact O-CB 3.49Å; T703-E867 PolarHBondContact O-N 2.76Å
704	S	97.1	Very high	94.2	Very high	54 Å²	54	56.2 Å²	56.2	38%	0.378	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	156.2	171.5	58.5	0	0	0	0	111.6	A706 K707 A708	S704-A706 VanDerWaalsContact C-N 3.28Å; S704-A706 PolarHBondContact O-N 3.25Å; S704-K707 CarbonylContact O-C 3.51Å; S704-K707 WeakPolarHBondContact O-CA 3.48Å; S704-K707 PolarHBondContact O-N 2.93Å; S704-A708 PolarHBondContact O-N 3.22Å; S704-A708 VanDerWaalsContact O-N 3.15Å
705	E	96	Very high	94.5	Very high	86 Å²	86	51.3 Å²	51.3	40%	0.402	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-47.8	-48.2	177.7	-67.2	-176.2	154.8	0	0	112.7	K707 A708 L735 R806 I866	E705-K707 PolarHBondContact O-N 3.44Å; E705-A708 VanDerWaalsContact O-CB 3.23Å; E705-A708 WeakPolarHBondContact O-CB 3.49Å; E705-A708 PolarHBondContact O-N 3.05Å; E705-L735 HydrophobicContact CB-CD2 4.16Å; E705-L735 HydrophobicContact CG-CD2 4.09Å; E705-R806 IonicContact OE1-CZ 2.94Å; E705-R806 IonicContact OE1-NH1 2.68Å; E705-R806 PolarHBondContact OE1-NH1 2.82Å; E705-R806 IonicContact OE1-NH2 3.3Å; E705-R806 PolarHBondContact OE1-NH2 3.07Å; E705-I866 HydrophobicContact CB-CG2 4.41Å; E705-I866 HydrophobicContact CG-CG2 3.51Å
706	A	95.4	Very high	95	Very high	102 Å²	102	47.6 Å²	47.6	84%	0.843	25%	0.248	S	C	*	.	G	3₁₀ helix	trans	-62.7	-8.2	179.1	0	0	0	0	0	115	S704	S704-A706 VanDerWaalsContact C-N 3.28Å; S704-A706 PolarHBondContact O-N 3.25Å
707	K	97.2	Very high	95.5	Very high	118 Å²	118	50.3 Å²	50.3	51%	0.513	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-121.2	5.9	175.9	-67	-172.6	176.8	-171.4	0	113.1	T703 S704 E705 E710 A711	T703-K707 WeakPolarHBondContact OG1-CB 3.24Å; S704-K707 CarbonylContact O-C 3.51Å; S704-K707 WeakPolarHBondContact O-CA 3.48Å; S704-K707 PolarHBondContact O-N 2.93Å; E705-K707 PolarHBondContact O-N 3.44Å; K707-E710 PolarHBondContact O-N 2.73Å; K707-A711 WeakPolarHBondContact O-CB 3.26Å; K707-A711 PolarHBondContact O-N 3.1Å
708	A	97.4	Very high	95.9	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-60.1	-49.8	-176.7	0	0	0	0	0	111.9	S704 E705 E710 A711 A712 L735 I737 I866	S704-A708 PolarHBondContact O-N 3.22Å; S704-A708 VanDerWaalsContact O-N 3.15Å; E705-A708 VanDerWaalsContact O-CB 3.23Å; E705-A708 WeakPolarHBondContact O-CB 3.49Å; E705-A708 PolarHBondContact O-N 3.05Å; A708-E710 PolarHBondContact O-N 3.48Å; A708-A711 PolarHBondContact O-N 3.21Å; A708-A712 VanDerWaalsContact O-CB 3.3Å; A708-A712 WeakPolarHBondContact O-CB 3.38Å; A708-A712 PolarHBondContact O-N 3.23Å; A708-L735 HydrophobicContact CB-CB 4.27Å; A708-L735 HydrophobicContact CB-CD2 4.19Å; A708-I737 HydrophobicContact CB-CD1 4.18Å; A708-I737 HydrophobicContact CB-CG1 4.35Å; A708-I866 HydrophobicContact CB-CD1 3.7Å
709	A	97.2	Very high	95.9	Very high	13 Å²	13	50 Å²	50	11%	0.107	26%	0.255	C	S	.	.	H	α-helix	trans	-62.9	-41	177.6	0	0	0	0	0	113.5	A712 I713 G736 I737 R740	A709-A712 PolarHBondContact O-N 2.66Å; A709-I713 WeakPolarHBondContact O-CD1 3.4Å; A709-I713 VanDerWaalsContact O-CG1 3.27Å; A709-I713 WeakPolarHBondContact O-CG1 3.37Å; A709-I713 PolarHBondContact O-N 2.96Å; A709-G736 WeakPolarHBondContact CB-O 3.43Å; A709-I737 HydrophobicContact CB-CG1 4.42Å; A709-R740 HydrophobicContact CB-CB 4.07Å; A709-R740 HydrophobicContact CB-CG 3.99Å
710	E	97.3	Very high	95.5	Very high	127 Å²	127	46.5 Å²	46.5	59%	0.593	25%	0.245	S	C	*	.	H	α-helix	trans	-63.7	-46.3	178.3	-172.1	-175.2	-178.3	0	0	111.5	K707 A708 I713 R714	K707-E710 PolarHBondContact O-N 2.73Å; A708-E710 PolarHBondContact O-N 3.48Å; E710-I713 PolarHBondContact O-N 3.04Å; E710-R714 PolarHBondContact O-N 2.99Å; E710-R714 VanDerWaalsContact O-N 3.1Å
711	A	97.7	Very high	94.5	Very high	3 Å²	3	48.2 Å²	48.2	3%	0.025	25%	0.253	C	S	.	.	H	α-helix	trans	-65	-39.8	175.4	0	0	0	0	0	111.9	T703 K707 A708 R714 L715 L864	T703-A711 HydrophobicContact CG2-CB 4.3Å; K707-A711 WeakPolarHBondContact O-CB 3.26Å; K707-A711 PolarHBondContact O-N 3.1Å; A708-A711 PolarHBondContact O-N 3.21Å; A711-R714 PolarHBondContact O-N 3.47Å; A711-L715 WeakPolarHBondContact O-CB 3.5Å; A711-L715 VanDerWaalsContact O-CG 3.25Å; A711-L715 WeakPolarHBondContact O-CG 3.47Å; A711-L715 PolarHBondContact O-N 3.31Å; A711-L864 HydrophobicContact CB-CD1 3.8Å; A711-L864 HydrophobicContact CB-CD2 3.88Å
712	A	97.1	Very high	93.6	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-62.5	-44.1	176.8	0	0	0	0	0	112.6	A708 A709 L715 C716 I737 L741 L802 L864	A708-A712 VanDerWaalsContact O-CB 3.3Å; A708-A712 WeakPolarHBondContact O-CB 3.38Å; A708-A712 PolarHBondContact O-N 3.23Å; A709-A712 PolarHBondContact O-N 2.66Å; A712-L715 PolarHBondContact O-N 3.13Å; A712-C716 WeakPolarHBondContact O-CB 3.49Å; A712-C716 PolarHBondContact O-N 3.45Å; A712-C716 PolarHBondContact O-SG 3.02Å; A712-I737 HydrophobicContact CB-CG1 4.27Å; A712-I737 HydrophobicContact CB-CG2 3.91Å; A712-L741 HydrophobicContact CB-CD1 4.46Å; A712-L802 HydrophobicContact CB-CD2 4.41Å; A712-L864 HydrophobicContact CB-CD2 4.11Å
713	I	96.4	Very high	93.2	Very high	14 Å²	14	52.6 Å²	52.6	7%	0.072	28%	0.276	C	S	.	.	H	α-helix	trans	-56.7	-53.9	172.7	-65.9	155.9	0	0	0	109.9	A709 E710 L715 C716 K717 R740 L741 E744	A709-I713 WeakPolarHBondContact O-CD1 3.4Å; A709-I713 VanDerWaalsContact O-CG1 3.27Å; A709-I713 WeakPolarHBondContact O-CG1 3.37Å; A709-I713 PolarHBondContact O-N 2.96Å; E710-I713 PolarHBondContact O-N 3.04Å; I713-L715 VanDerWaalsContact C-N 3.33Å; I713-L715 PolarHBondContact O-N 2.67Å; I713-C716 PolarHBondContact O-N 3.19Å; I713-C716 VanDerWaalsContact O-N 3.11Å; I713-K717 HydrophobicContact CG2-CD 3.85Å; I713-K717 HydrophobicContact CG2-CG 4.28Å; I713-K717 WeakPolarHBondContact O-CG 3.05Å; I713-K717 PolarHBondContact O-N 2.86Å; I713-R740 HydrophobicContact CD1-CB 4.1Å; I713-L741 HydrophobicContact CB-CD2 4.41Å; I713-L741 HydrophobicContact CG1-CD2 4.01Å; I713-E744 HydrophobicContact CD1-CB 4.18Å; I713-E744 HydrophobicContact CD1-CG 3.79Å; I713-E744 HydrophobicContact CG1-CB 4Å; I713-E744 HydrophobicContact CG1-CG 4.19Å; I713-E744 HydrophobicContact CG2-CB 3.9Å; I713-E744 HydrophobicContact CG2-CG 4.33Å
714	R	96.8	Very high	93.1	Very high	101 Å²	101	51.9 Å²	51.9	38%	0.381	27%	0.272	S	S	.	.	H	α-helix	trans	-60	-43.6	-175.3	-157.4	-163.2	70.8	-112.9	-25.7	111.3	E701 E710 A711 K717 E718	E701-R714 IonicContact OE1-CZ 3.18Å; E701-R714 VanDerWaalsContact OE1-CZ 3.28Å; E701-R714 IonicContact OE1-NH1 3.28Å; E701-R714 PolarHBondContact OE1-NH1 3.27Å; E701-R714 IonicContact OE1-NH2 2.71Å; E701-R714 PolarHBondContact OE1-NH2 3.09Å; E701-R714 IonicContact OE2-CZ 3.36Å; E701-R714 IonicContact OE2-NH2 3.97Å; E701-R714 PolarHBondContact OE2-NH2 3.2Å; E710-R714 PolarHBondContact O-N 2.99Å; E710-R714 VanDerWaalsContact O-N 3.1Å; A711-R714 PolarHBondContact O-N 3.47Å; R714-K717 PolarHBondContact O-N 2.61Å; R714-E718 WeakPolarHBondContact CG-OE1 3.35Å; R714-E718 IonicContact CZ-OE1 3.92Å; R714-E718 IonicContact NE-OE1 2.8Å; R714-E718 PolarHBondContact NE-OE1 3.26Å; R714-E718 IonicContact NH2-OE1 3.63Å; R714-E718 PolarHBondContact NH2-OE1 3.12Å; R714-E718 WeakPolarHBondContact O-CB 3.37Å; R714-E718 VanDerWaalsContact O-CG 3.23Å; R714-E718 WeakPolarHBondContact O-CG 3.25Å; R714-E718 PolarHBondContact O-N 2.67Å
715	L	95.8	Very high	93.1	Very high	2 Å²	2	49.4 Å²	49.4	1%	0.01	26%	0.255	C	S	.	.	H	α-helix	trans	-64.1	-38	175.2	-70.8	173.3	0	0	0	113.1	R699 A711 A712 I713 E718 L719 L802 V862 L864	R699-L715 VanDerWaalsContact NH2-CD2 3.3Å; A711-L715 WeakPolarHBondContact O-CB 3.5Å; A711-L715 VanDerWaalsContact O-CG 3.25Å; A711-L715 WeakPolarHBondContact O-CG 3.47Å; A711-L715 PolarHBondContact O-N 3.31Å; A712-L715 PolarHBondContact O-N 3.13Å; I713-L715 VanDerWaalsContact C-N 3.33Å; I713-L715 PolarHBondContact O-N 2.67Å; L715-E718 PolarHBondContact O-N 2.94Å; L715-L719 WeakPolarHBondContact O-CB 3.45Å; L715-L719 VanDerWaalsContact O-CG 3.27Å; L715-L719 WeakPolarHBondContact O-CG 3.21Å; L715-L719 PolarHBondContact O-N 3.48Å; L715-L719 VanDerWaalsContact O-N 3.08Å; L715-L802 HydrophobicContact CB-CD1 4.4Å; L715-L802 HydrophobicContact CB-CD2 4.29Å; L715-L802 HydrophobicContact CD1-CD1 3.89Å; L715-V862 HydrophobicContact CD1-CG1 3.98Å; L715-V862 HydrophobicContact CD2-CG1 4.06Å; L715-L864 HydrophobicContact CD1-CB 4.16Å; L715-L864 HydrophobicContact CD1-CD1 4.02Å; L715-L864 HydrophobicContact CD1-CD2 4.43Å; L715-L864 HydrophobicContact CD1-CG 4.44Å
716	C	95.2	Very high	93.1	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-65.2	-43.9	173.5	-67.3	0	0	0	0	111.5	A712 I713 E718 L719 G720 D721 V724 L741	A712-C716 WeakPolarHBondContact O-CB 3.49Å; A712-C716 PolarHBondContact O-N 3.45Å; A712-C716 PolarHBondContact O-SG 3.02Å; I713-C716 PolarHBondContact O-N 3.19Å; I713-C716 VanDerWaalsContact O-N 3.11Å; C716-E718 VanDerWaalsContact C-N 3.32Å; C716-E718 PolarHBondContact O-N 3.16Å; C716-L719 PolarHBondContact O-N 3.02Å; C716-L719 VanDerWaalsContact O-N 3.15Å; C716-G720 CarbonylContact O-C 3.5Å; C716-G720 PolarHBondContact O-N 2.9Å; C716-D721 PolarHBondContact O-N 3.09Å; C716-V724 HydrophobicContact CB-CG2 4.44Å; C716-L741 HydrophobicContact CB-CD2 4.08Å
717	K	93.9	Very high	93.1	Very high	84 Å²	84	40.5 Å²	40.5	37%	0.365	20%	0.196	S	C	.	.	H	α-helix	trans	-64.9	-33.3	177	-64.8	-170.3	171.7	-179	0	112.5	I713 R714 D721 E744	I713-K717 HydrophobicContact CG2-CD 3.85Å; I713-K717 HydrophobicContact CG2-CG 4.28Å; I713-K717 WeakPolarHBondContact O-CG 3.05Å; I713-K717 PolarHBondContact O-N 2.86Å; R714-K717 PolarHBondContact O-N 2.61Å; K717-D721 HydrophobicContact CG-CB 3.92Å; K717-D721 WeakPolarHBondContact CG-OD2 3.25Å; K717-E744 WeakPolarHBondContact CE-O 3.3Å; K717-E744 PolarHBondContact NZ-O 3.4Å; K717-E744 IonicContact NZ-OE2 2.9Å; K717-E744 PolarHBondContact NZ-OE2 2.97Å
718	E	93.3	Very high	93.1	Very high	95 Å²	95	35.3 Å²	35.3	44%	0.444	18%	0.176	S	C	.	.	H	α-helix	trans	-72.9	-24.6	172.8	-71.7	172.4	-132.9	0	0	114.2	R699 R714 L715 C716	R699-E718 IonicContact CZ-OE2 2.93Å; R699-E718 VanDerWaalsContact CZ-OE2 3.27Å; R699-E718 IonicContact NH1-OE2 3.5Å; R699-E718 PolarHBondContact NH1-OE2 2.88Å; R699-E718 IonicContact NH2-OE1 3.17Å; R699-E718 IonicContact NH2-OE2 2.77Å; R699-E718 PolarHBondContact NH2-OE2 3.16Å; R699-E718 VanDerWaalsContact NH2-OE2 3.13Å; R714-E718 WeakPolarHBondContact CG-OE1 3.35Å; R714-E718 IonicContact CZ-OE1 3.92Å; R714-E718 IonicContact NE-OE1 2.8Å; R714-E718 PolarHBondContact NE-OE1 3.26Å; R714-E718 IonicContact NH2-OE1 3.63Å; R714-E718 PolarHBondContact NH2-OE1 3.12Å; R714-E718 WeakPolarHBondContact O-CB 3.37Å; R714-E718 VanDerWaalsContact O-CG 3.23Å; R714-E718 WeakPolarHBondContact O-CG 3.25Å; R714-E718 PolarHBondContact O-N 2.67Å; L715-E718 PolarHBondContact O-N 2.94Å; C716-E718 VanDerWaalsContact C-N 3.32Å; C716-E718 PolarHBondContact O-N 3.16Å
719	L	90.4	Very high	93	Very high	16 Å²	16	35.7 Å²	35.7	8%	0.084	18%	0.178	C	C	.	.	H	α-helix	trans	-91.3	-28.5	176	-70.8	171.9	0	0	0	112.8	L715 C716 V767 Y800 K860 V862	L715-L719 WeakPolarHBondContact O-CB 3.45Å; L715-L719 VanDerWaalsContact O-CG 3.27Å; L715-L719 WeakPolarHBondContact O-CG 3.21Å; L715-L719 PolarHBondContact O-N 3.48Å; L715-L719 VanDerWaalsContact O-N 3.08Å; C716-L719 PolarHBondContact O-N 3.02Å; C716-L719 VanDerWaalsContact O-N 3.15Å; L719-V767 HydrophobicContact CB-CG2 3.66Å; L719-V767 HydrophobicContact CD1-CG1 4.14Å; L719-V767 HydrophobicContact CD1-CG2 4.23Å; L719-Y800 HydrophobicContact CB-CD2 3.9Å; L719-Y800 HydrophobicContact CD2-CD2 4.11Å; L719-Y800 HydrophobicContact CD2-CG 4.03Å; L719-Y800 WeakPolarHBondContact O-CD2 3.3Å; L719-Y800 WeakPolarHBondContact O-CE2 3.48Å; L719-K860 HydrophobicContact CD2-CD 3.95Å; L719-V862 HydrophobicContact CD1-CG2 3.99Å; L719-V862 HydrophobicContact CD2-CG2 4.08Å; L719-V862 HydrophobicContact CG-CG2 4.46Å
720	G	84.5	Confident	93	Very high	12 Å²	12	38.8 Å²	38.8	12%	0.124	20%	0.195	C	C	.	.			trans	120.8	93.8	-176.2	0	0	0	0	0	110.9	C716 Q722	C716-G720 CarbonylContact O-C 3.5Å; C716-G720 PolarHBondContact O-N 2.9Å; G720-Q722 PolarHBondContact O-N 3.16Å
721	D	75.6	Confident	93	Very high	57 Å²	57	35.2 Å²	35.2	31%	0.305	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	1.4	-177.8	59.3	-22.2	0	0	0	115	C716 K717 S723 C745	C716-D721 PolarHBondContact O-N 3.09Å; K717-D721 HydrophobicContact CG-CB 3.92Å; K717-D721 WeakPolarHBondContact CG-OD2 3.25Å; D721-S723 PolarHBondContact O-N 3.5Å; D721-S723 VanDerWaalsContact O-N 3.14Å; D721-C745 HydrophobicContact CB-CB 4.03Å
722	Q	77	Confident	93	Very high	160 Å²	160	35 Å²	35	75%	0.748	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-25.3	-175.6	-66.2	175.1	-30.2	0	0	114.5	G720	G720-Q722 PolarHBondContact O-N 3.16Å
723	S	88.2	Confident	92.9	Very high	44 Å²	44	40.2 Å²	40.2	31%	0.308	20%	0.199	S	C	.	.	S	Bend	trans	-158.6	116.2	170.5	-175.7	0	0	0	0	109.1	D721 K766 V767	D721-S723 PolarHBondContact O-N 3.5Å; D721-S723 VanDerWaalsContact O-N 3.14Å; S723-K766 PolarHBondContact O-N 3.04Å; S723-V767 PolarHBondContact O-N 3.02Å
724	V	95.7	Very high	92.9	Very high	2 Å²	2	46 Å²	46	1%	0.012	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	134.1	-176.9	-177	0	0	0	0	109.1	C716 I726 C745 A747 V748 V767 V769	C716-V724 HydrophobicContact CB-CG2 4.44Å; V724-I726 HydrophobicContact CG1-CG1 4.44Å; V724-C745 HydrophobicContact CG2-CB 4.03Å; V724-A747 HydrophobicContact CB-CB 3.76Å; V724-A747 HydrophobicContact CG1-CB 3.92Å; V724-A747 CarbonylContact O-C 3.5Å; V724-A747 VanDerWaalsContact O-CA 3.26Å; V724-A747 WeakPolarHBondContact O-CA 3.14Å; V724-V748 PolarHBondContact O-N 3.06Å; V724-V767 WeakPolarHBondContact CA-O 3.35Å; V724-V767 HydrophobicContact CG1-CB 4.33Å; V724-V767 HydrophobicContact CG2-CB 4.27Å; V724-V769 HydrophobicContact CG1-CG2 3.79Å
725	V	96	Very high	92.9	Very high	2 Å²	2	42.1 Å²	42.1	1%	0.012	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	140.1	173.7	70.5	0	0	0	0	110.2	V748 A762 A765 V767 G768 V769 L794 P798	V725-V748 CarbonylContact C-O 3.55Å; V725-V748 WeakPolarHBondContact CA-O 3.2Å; V725-A762 HydrophobicContact CG1-CB 4.31Å; V725-A765 HydrophobicContact CB-CB 3.87Å; V725-A765 HydrophobicContact CG1-CB 3.58Å; V725-V767 PolarHBondContact N-O 3.12Å; V725-G768 CarbonylContact O-C 3.59Å; V725-G768 WeakPolarHBondContact O-CA 3.2Å; V725-V769 PolarHBondContact O-N 3.35Å; V725-L794 HydrophobicContact CB-CD2 4.15Å; V725-L794 HydrophobicContact CG1-CD2 3.61Å; V725-L794 HydrophobicContact CG2-CD2 3.52Å; V725-P798 HydrophobicContact CG1-CG 4.06Å
726	I	96.8	Very high	92.9	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	139.1	-174.1	-44.1	178.9	0	0	0	109.2	V724 L732 L741 A747 V748 V749 W750 V769	V724-I726 HydrophobicContact CG1-CG1 4.44Å; I726-L732 HydrophobicContact CG2-CD1 3.59Å; I726-L741 HydrophobicContact CD1-CB 3.58Å; I726-L741 HydrophobicContact CD1-CD1 3.89Å; I726-L741 HydrophobicContact CD1-CG 4.39Å; I726-L741 HydrophobicContact CG1-CD1 4.45Å; I726-A747 HydrophobicContact CD1-CB 3.64Å; I726-A747 HydrophobicContact CG1-CB 3.96Å; I726-V748 PolarHBondContact N-O 3.26Å; I726-V749 HydrophobicContact CB-CG2 4.4Å; I726-V749 HydrophobicContact CD1-CG2 4.44Å; I726-W750 VanDerWaalsContact O-CB 3.22Å; I726-W750 WeakPolarHBondContact O-CB 3.33Å; I726-W750 PolarHBondContact O-N 3.43Å; I726-V769 WeakPolarHBondContact CA-O 3.22Å; I726-V769 HydrophobicContact CB-CB 4.47Å; I726-V769 HydrophobicContact CG1-CB 4.31Å; I726-V769 HydrophobicContact CG2-CB 4.18Å; I726-V769 HydrophobicContact CG2-CG1 4.36Å
727	S	96.4	Very high	93	Very high	1 Å²	1	43 Å²	43	1%	0.007	22%	0.223	C	C	.	.			trans	-62.4	141.7	166.2	48.8	0	0	0	0	111.6	D729 L732 V769 E789	S727-D729 PolarHBondContact O-N 3.2Å; S727-L732 VanDerWaalsContact OG-CD1 3.23Å; S727-L732 WeakPolarHBondContact OG-CD1 3.3Å; S727-V769 PolarHBondContact N-O 2.85Å; S727-E789 WeakPolarHBondContact CA-O 3.23Å; S727-E789 WeakPolarHBondContact CB-O 3.37Å
728	G	96.2	Very high	93.1	Very high	9 Å²	9	39.1 Å²	39.1	9%	0.093	21%	0.206	C	C	.	.			trans	-69.9	33.4	169.7	0	0	0	0	0	113.8	T730 E789	G728-T730 PolarHBondContact O-N 3.2Å; G728-E789 PolarHBondContact N-O 3.44Å; G728-E789 VanDerWaalsContact O-CB 3.32Å; G728-E789 WeakPolarHBondContact O-CB 3.43Å
729	D	95.9	Very high	93.3	Very high	8 Å²	8	40 Å²	40	4%	0.043	21%	0.21	C	C	.	.			trans	-78.3	116.9	-177.9	-167.1	-48.3	0	0	0	109	S727 R731 L732 Y771 R790	S727-D729 PolarHBondContact O-N 3.2Å; D729-R731 PolarHBondContact O-N 3.27Å; D729-R731 VanDerWaalsContact OD1-CB 3.27Å; D729-R731 WeakPolarHBondContact OD1-CB 3.44Å; D729-R731 WeakPolarHBondContact OD1-CG 3.48Å; D729-R731 IonicContact OD1-CZ 2.78Å; D729-R731 PolarHBondContact OD1-N 2.79Å; D729-R731 VanDerWaalsContact OD1-N 3.09Å; D729-R731 IonicContact OD1-NE 3.14Å; D729-R731 PolarHBondContact OD1-NE 2.91Å; D729-R731 IonicContact OD1-NH2 3.53Å; D729-R731 IonicContact OD2-CZ 2.74Å; D729-R731 IonicContact OD2-NE 3.84Å; D729-R731 PolarHBondContact OD2-NE 3.04Å; D729-R731 IonicContact OD2-NH2 3.86Å; D729-R731 PolarHBondContact OD2-NH2 3.03Å; D729-L732 HydrophobicContact CB-CD1 4.31Å; D729-L732 HydrophobicContact CB-CG 4.32Å; D729-L732 WeakPolarHBondContact O-CB 3.42Å; D729-L732 PolarHBondContact O-N 3.29Å; D729-Y771 WeakPolarHBondContact OD2-CB 3.46Å; D729-R790 HydrophobicContact CB-CG 4.34Å; D729-R790 WeakPolarHBondContact OD2-CD 3.3Å; D729-R790 IonicContact OD2-NH1 2.8Å
730	T	96.4	Very high	93.5	Very high	77 Å²	77	43.2 Å²	43.2	47%	0.472	22%	0.221	S	C	.	.	H	α-helix	trans	-56.1	-25.5	-176.7	66	0	0	0	0	112.5	G728 L732 E733 E734	G728-T730 PolarHBondContact O-N 3.2Å; T730-L732 PolarHBondContact O-N 2.97Å; T730-E733 CarbonylContact O-C 3.43Å; T730-E733 WeakPolarHBondContact O-CA 3.47Å; T730-E733 WeakPolarHBondContact O-CB 3.27Å; T730-E733 PolarHBondContact O-N 3.18Å; T730-E734 WeakPolarHBondContact O-CB 3.2Å; T730-E734 VanDerWaalsContact O-CG 3.26Å; T730-E734 WeakPolarHBondContact O-CG 3.46Å; T730-E734 PolarHBondContact O-N 3.15Å; T730-E734 PolarHBondContact OG1-OE1 3.38Å
731	R	97	Very high	94.1	Very high	52 Å²	52	42.7 Å²	42.7	20%	0.196	22%	0.215	C	C	.	.	H	α-helix	trans	-68.8	-18.4	177.1	-56.7	172.4	-68.9	-173	1.3	113.1	D729 L735 Y771 E773 R790	D729-R731 PolarHBondContact O-N 3.27Å; D729-R731 VanDerWaalsContact OD1-CB 3.27Å; D729-R731 WeakPolarHBondContact OD1-CB 3.44Å; D729-R731 WeakPolarHBondContact OD1-CG 3.48Å; D729-R731 IonicContact OD1-CZ 2.78Å; D729-R731 PolarHBondContact OD1-N 2.79Å; D729-R731 VanDerWaalsContact OD1-N 3.09Å; D729-R731 IonicContact OD1-NE 3.14Å; D729-R731 PolarHBondContact OD1-NE 2.91Å; D729-R731 IonicContact OD1-NH2 3.53Å; D729-R731 IonicContact OD2-CZ 2.74Å; D729-R731 IonicContact OD2-NE 3.84Å; D729-R731 PolarHBondContact OD2-NE 3.04Å; D729-R731 IonicContact OD2-NH2 3.86Å; D729-R731 PolarHBondContact OD2-NH2 3.03Å; R731-L735 WeakPolarHBondContact O-CD1 3.29Å; R731-L735 VanDerWaalsContact O-CG 3.28Å; R731-L735 WeakPolarHBondContact O-CG 3.47Å; R731-L735 PolarHBondContact O-N 2.98Å; R731-Y771 HydrophobicContact CB-CD2 3.59Å; R731-Y771 HydrophobicContact CB-CE1 4.43Å; R731-Y771 HydrophobicContact CB-CE2 3.41Å; R731-Y771 VanDerWaalsContact CB-CE2 3.41Å; R731-Y771 HydrophobicContact CB-CG 4.19Å; R731-Y771 HydrophobicContact CG-CE2 4.5Å; R731-E773 IonicContact CZ-OE1 3.21Å; R731-E773 IonicContact CZ-OE2 2.7Å; R731-E773 IonicContact NH1-OE1 2.74Å; R731-E773 IonicContact NH1-OE2 3.7Å; R731-E773 PolarHBondContact NH1-OE2 2.85Å; R731-E773 IonicContact NH2-OE1 2.87Å; R731-E773 PolarHBondContact NH2-OE1 3.38Å; R731-E773 IonicContact NH2-OE2 3.88Å; R731-E773 PolarHBondContact NH2-OE2 3.48Å; R731-R790 VanDerWaalsContact NH2-NH1 3.13Å
732	L	97.5	Very high	95	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-83.3	-29.6	169.1	-62.7	176.9	0	0	0	111.8	I726 S727 D729 T730 G736 I737 S738 Y771 I804	I726-L732 HydrophobicContact CG2-CD1 3.59Å; S727-L732 VanDerWaalsContact OG-CD1 3.23Å; S727-L732 WeakPolarHBondContact OG-CD1 3.3Å; D729-L732 HydrophobicContact CB-CD1 4.31Å; D729-L732 HydrophobicContact CB-CG 4.32Å; D729-L732 WeakPolarHBondContact O-CB 3.42Å; D729-L732 PolarHBondContact O-N 3.29Å; T730-L732 PolarHBondContact O-N 2.97Å; L732-G736 PolarHBondContact O-N 3.44Å; L732-I737 HydrophobicContact CB-CB 4.42Å; L732-I737 HydrophobicContact CD2-CB 4.47Å; L732-I737 HydrophobicContact CD2-CD1 3.98Å; L732-I737 HydrophobicContact CD2-CG2 4.39Å; L732-I737 WeakPolarHBondContact O-CA 3.4Å; L732-I737 WeakPolarHBondContact O-CB 3.3Å; L732-I737 PolarHBondContact O-N 2.9Å; L732-S738 WeakPolarHBondContact CB-OG 3.02Å; L732-S738 PolarHBondContact O-N 3.15Å; L732-Y771 HydrophobicContact CD2-CD2 3.75Å; L732-Y771 HydrophobicContact CG-CD2 4.12Å; L732-I804 HydrophobicContact CD2-CB 3.87Å; L732-I804 HydrophobicContact CD2-CG1 3.48Å; L732-I804 VanDerWaalsContact CD2-CG1 3.48Å; L732-I804 HydrophobicContact CD2-CG2 4.21Å
733	E	95.4	Very high	95.8	Very high	108 Å²	108	42.4 Å²	42.4	51%	0.505	21%	0.212	S	C	.	.	H	α-helix	trans	-73	-44	173.7	-52.4	-176.8	141.3	0	0	110.7	T730 L735 G736	T730-E733 CarbonylContact O-C 3.43Å; T730-E733 WeakPolarHBondContact O-CA 3.47Å; T730-E733 WeakPolarHBondContact O-CB 3.27Å; T730-E733 PolarHBondContact O-N 3.18Å; E733-L735 VanDerWaalsContact C-N 3.26Å; E733-L735 PolarHBondContact O-N 2.9Å; E733-G736 WeakPolarHBondContact O-CA 3.46Å; E733-G736 PolarHBondContact O-N 2.92Å
734	E	96.2	Very high	96.1	Very high	137 Å²	137	44.3 Å²	44.3	64%	0.64	22%	0.216	S	C	*	.	H	α-helix	trans	-57.3	-35.2	173.4	-71.7	161.3	-154.8	0	0	112.7	T730 G736	T730-E734 WeakPolarHBondContact O-CB 3.2Å; T730-E734 VanDerWaalsContact O-CG 3.26Å; T730-E734 WeakPolarHBondContact O-CG 3.46Å; T730-E734 PolarHBondContact O-N 3.15Å; T730-E734 PolarHBondContact OG1-OE1 3.38Å; E734-G736 VanDerWaalsContact C-N 3.28Å
735	L	96.8	Very high	95.9	Very high	18 Å²	18	44.5 Å²	44.5	9%	0.094	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	1.8	174.1	-70.7	173.6	0	0	0	113.5	E705 A708 R731 E733 I737 Y771 I804 I866	E705-L735 HydrophobicContact CB-CD2 4.16Å; E705-L735 HydrophobicContact CG-CD2 4.09Å; A708-L735 HydrophobicContact CB-CB 4.27Å; A708-L735 HydrophobicContact CB-CD2 4.19Å; R731-L735 WeakPolarHBondContact O-CD1 3.29Å; R731-L735 VanDerWaalsContact O-CG 3.28Å; R731-L735 WeakPolarHBondContact O-CG 3.47Å; R731-L735 PolarHBondContact O-N 2.98Å; E733-L735 VanDerWaalsContact C-N 3.26Å; E733-L735 PolarHBondContact O-N 2.9Å; L735-I737 HydrophobicContact CB-CD1 3.77Å; L735-I737 HydrophobicContact CB-CG1 3.86Å; L735-I737 HydrophobicContact CD1-CD1 3.88Å; L735-I737 HydrophobicContact CG-CD1 4.5Å; L735-I737 PolarHBondContact O-N 2.73Å; L735-I737 VanDerWaalsContact O-N 3.17Å; L735-Y771 HydrophobicContact CD1-CE2 4Å; L735-I804 HydrophobicContact CD1-CG2 3.94Å; L735-I866 HydrophobicContact CD1-CD1 4.41Å; L735-I866 HydrophobicContact CD1-CG1 4.08Å; L735-I866 HydrophobicContact CD2-CG2 4.38Å
736	G	96.9	Very high	95.5	Very high	22 Å²	22	50.8 Å²	50.8	23%	0.227	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	64.6	11.6	-175.4	0	0	0	0	0	114.6	A709 L732 E733 E734 R740	A709-G736 WeakPolarHBondContact CB-O 3.43Å; L732-G736 PolarHBondContact O-N 3.44Å; E733-G736 WeakPolarHBondContact O-CA 3.46Å; E733-G736 PolarHBondContact O-N 2.92Å; E734-G736 VanDerWaalsContact C-N 3.28Å; G736-R740 VanDerWaalsContact O-CB 3.24Å; G736-R740 WeakPolarHBondContact O-CB 3.41Å; G736-R740 WeakPolarHBondContact O-CG 3.19Å; G736-R740 PolarHBondContact O-N 2.98Å
737	I	97.3	Very high	95.4	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-71.1	-45.9	-175.5	-66.5	170.5	0	0	0	110.3	A708 A709 A712 L732 L735 L741 V769 I804	A708-I737 HydrophobicContact CB-CD1 4.18Å; A708-I737 HydrophobicContact CB-CG1 4.35Å; A709-I737 HydrophobicContact CB-CG1 4.42Å; A712-I737 HydrophobicContact CB-CG1 4.27Å; A712-I737 HydrophobicContact CB-CG2 3.91Å; L732-I737 HydrophobicContact CB-CB 4.42Å; L732-I737 HydrophobicContact CD2-CB 4.47Å; L732-I737 HydrophobicContact CD2-CD1 3.98Å; L732-I737 HydrophobicContact CD2-CG2 4.39Å; L732-I737 WeakPolarHBondContact O-CA 3.4Å; L732-I737 WeakPolarHBondContact O-CB 3.3Å; L732-I737 PolarHBondContact O-N 2.9Å; L735-I737 HydrophobicContact CB-CD1 3.77Å; L735-I737 HydrophobicContact CB-CG1 3.86Å; L735-I737 HydrophobicContact CD1-CD1 3.88Å; L735-I737 HydrophobicContact CG-CD1 4.5Å; L735-I737 PolarHBondContact O-N 2.73Å; L735-I737 VanDerWaalsContact O-N 3.17Å; I737-L741 HydrophobicContact CG2-CD1 3.61Å; I737-L741 HydrophobicContact CG2-CG 4.25Å; I737-L741 WeakPolarHBondContact O-CB 3.34Å; I737-L741 WeakPolarHBondContact O-CG 3.48Å; I737-L741 PolarHBondContact O-N 3.19Å; I737-V769 HydrophobicContact CG2-CG1 4.45Å; I737-I804 HydrophobicContact CD1-CD1 4.17Å; I737-I804 HydrophobicContact CD1-CG1 4.03Å; I737-I804 HydrophobicContact CD1-CG2 3.94Å
738	S	96.4	Very high	95.3	Very high	2 Å²	2	53.6 Å²	53.6	1%	0.014	27%	0.269	C	S	.	.	H	α-helix	trans	-59.2	-60.1	-175.9	-55.9	0	0	0	0	111.9	L732 R740 L741 Q742	L732-S738 WeakPolarHBondContact CB-OG 3.02Å; L732-S738 PolarHBondContact O-N 3.15Å; S738-R740 VanDerWaalsContact C-N 3.33Å; S738-R740 PolarHBondContact O-N 2.77Å; S738-L741 PolarHBondContact O-N 3.06Å; S738-Q742 WeakPolarHBondContact O-CG 3.42Å; S738-Q742 PolarHBondContact O-N 2.75Å
739	E	95.8	Very high	95.3	Very high	112 Å²	112	54.2 Å²	54.2	52%	0.523	27%	0.271	S	S	.	.	H	α-helix	trans	-55.4	-47.3	-179.6	-170.7	-156.2	161.5	0	0	111.7	L741 Q742 Q743	E739-L741 PolarHBondContact O-N 3.38Å; E739-Q742 WeakPolarHBondContact O-CB 3.36Å; E739-Q742 PolarHBondContact O-N 3.45Å; E739-Q743 WeakPolarHBondContact O-CG 3.31Å; E739-Q743 PolarHBondContact O-N 3.16Å; E739-Q743 PolarHBondContact OE1-NE2 2.82Å
740	R	96.3	Very high	95.3	Very high	85 Å²	85	53.9 Å²	53.9	32%	0.321	27%	0.269	S	S	.	.	H	α-helix	trans	-68.1	-35.6	-176.3	-71	-61.3	-50.3	-72	2.4	112.7	A709 I713 G736 S738 Q743 E744	A709-R740 HydrophobicContact CB-CB 4.07Å; A709-R740 HydrophobicContact CB-CG 3.99Å; I713-R740 HydrophobicContact CD1-CB 4.1Å; G736-R740 VanDerWaalsContact O-CB 3.24Å; G736-R740 WeakPolarHBondContact O-CB 3.41Å; G736-R740 WeakPolarHBondContact O-CG 3.19Å; G736-R740 PolarHBondContact O-N 2.98Å; S738-R740 VanDerWaalsContact C-N 3.33Å; S738-R740 PolarHBondContact O-N 2.77Å; R740-Q743 PolarHBondContact O-N 3.41Å; R740-E744 IonicContact NH2-OE1 3.87Å; R740-E744 WeakPolarHBondContact O-CB 3.38Å; R740-E744 WeakPolarHBondContact O-CG 3.06Å; R740-E744 PolarHBondContact O-N 3.36Å
741	L	96.1	Very high	95.3	Very high	1 Å²	1	53.2 Å²	53.2	1%	0.005	26%	0.263	C	S	.	.	H	α-helix	trans	-73.3	-32.8	173.8	-74.8	178.3	0	0	0	112.8	A712 I713 C716 I726 I737 S738 E739 Q743 C745 N746 A747 V769	A712-L741 HydrophobicContact CB-CD1 4.46Å; I713-L741 HydrophobicContact CB-CD2 4.41Å; I713-L741 HydrophobicContact CG1-CD2 4.01Å; C716-L741 HydrophobicContact CB-CD2 4.08Å; I726-L741 HydrophobicContact CD1-CB 3.58Å; I726-L741 HydrophobicContact CD1-CD1 3.89Å; I726-L741 HydrophobicContact CD1-CG 4.39Å; I726-L741 HydrophobicContact CG1-CD1 4.45Å; I737-L741 HydrophobicContact CG2-CD1 3.61Å; I737-L741 HydrophobicContact CG2-CG 4.25Å; I737-L741 WeakPolarHBondContact O-CB 3.34Å; I737-L741 WeakPolarHBondContact O-CG 3.48Å; I737-L741 PolarHBondContact O-N 3.19Å; S738-L741 PolarHBondContact O-N 3.06Å; E739-L741 PolarHBondContact O-N 3.38Å; L741-Q743 VanDerWaalsContact C-N 3.32Å; L741-C745 HydrophobicContact CD2-CB 4.27Å; L741-C745 CarbonylContact O-C 3.55Å; L741-C745 WeakPolarHBondContact O-CA 3.2Å; L741-C745 WeakPolarHBondContact O-CB 3.42Å; L741-C745 PolarHBondContact O-N 2.57Å; L741-N746 PolarHBondContact O-N 3.04Å; L741-A747 HydrophobicContact CB-CB 4Å; L741-A747 WeakPolarHBondContact O-CB 3.38Å; L741-A747 PolarHBondContact O-N 2.68Å; L741-V769 HydrophobicContact CD1-CG1 4.28Å; L741-V769 HydrophobicContact CD1-CG2 3.99Å
742	Q	94.9	Very high	95.1	Very high	92 Å²	92	52.2 Å²	52.2	43%	0.43	26%	0.263	S	S	.	.	H	α-helix	trans	-60.7	-44.1	170.5	-68.3	175.6	-77	0	0	110.7	S738 E739 N746 A747 V749	S738-Q742 WeakPolarHBondContact O-CG 3.42Å; S738-Q742 PolarHBondContact O-N 2.75Å; E739-Q742 WeakPolarHBondContact O-CB 3.36Å; E739-Q742 PolarHBondContact O-N 3.45Å; Q742-N746 WeakPolarHBondContact O-CA 3.45Å; Q742-N746 PolarHBondContact O-N 3.04Å; Q742-A747 WeakPolarHBondContact CG-O 3.29Å; Q742-V749 HydrophobicContact CG-CG2 4.04Å
743	Q	93.5	Very high	94.9	Very high	119 Å²	119	56.6 Å²	56.6	56%	0.556	30%	0.299	S	S	*	.	H	α-helix	trans	-69.1	-44.5	178.4	-70	167.7	0.4	0	0	113.7	E739 R740 L741	E739-Q743 WeakPolarHBondContact O-CG 3.31Å; E739-Q743 PolarHBondContact O-N 3.16Å; E739-Q743 PolarHBondContact OE1-NE2 2.82Å; R740-Q743 PolarHBondContact O-N 3.41Å; L741-Q743 VanDerWaalsContact C-N 3.32Å
744	E	93.9	Very high	94.8	Very high	84 Å²	84	54.9 Å²	54.9	39%	0.393	29%	0.29	S	S	.	.	H	α-helix	trans	-97.2	-23.1	-167.5	-75.1	-87	177.2	0	0	114.9	I713 K717 R740	I713-E744 HydrophobicContact CD1-CB 4.18Å; I713-E744 HydrophobicContact CD1-CG 3.79Å; I713-E744 HydrophobicContact CG1-CB 4Å; I713-E744 HydrophobicContact CG1-CG 4.19Å; I713-E744 HydrophobicContact CG2-CB 3.9Å; I713-E744 HydrophobicContact CG2-CG 4.33Å; K717-E744 WeakPolarHBondContact CE-O 3.3Å; K717-E744 PolarHBondContact NZ-O 3.4Å; K717-E744 IonicContact NZ-OE2 2.9Å; K717-E744 PolarHBondContact NZ-OE2 2.97Å; R740-E744 IonicContact NH2-OE1 3.87Å; R740-E744 WeakPolarHBondContact O-CB 3.38Å; R740-E744 WeakPolarHBondContact O-CG 3.06Å; R740-E744 PolarHBondContact O-N 3.36Å
745	C	91.4	Very high	94.5	Very high	5 Å²	5	49.6 Å²	49.6	3%	0.034	27%	0.272	C	S	.	.	H	α-helix	trans	-129.3	14.7	-172.9	-58.3	0	0	0	0	112.3	D721 V724 L741 A747	D721-C745 HydrophobicContact CB-CB 4.03Å; V724-C745 HydrophobicContact CG2-CB 4.03Å; L741-C745 HydrophobicContact CD2-CB 4.27Å; L741-C745 CarbonylContact O-C 3.55Å; L741-C745 WeakPolarHBondContact O-CA 3.2Å; L741-C745 WeakPolarHBondContact O-CB 3.42Å; L741-C745 PolarHBondContact O-N 2.57Å; C745-A747 PolarHBondContact O-N 3.47Å
746	N	88.2	Confident	94.1	Very high	135 Å²	135	52.2 Å²	52.2	72%	0.722	30%	0.296	S	S	*	.			trans	47.5	36.8	-176.1	-169.8	65.7	0	0	0	113	L741 Q742	L741-N746 PolarHBondContact O-N 3.04Å; Q742-N746 WeakPolarHBondContact O-CA 3.45Å; Q742-N746 PolarHBondContact O-N 3.04Å
747	A	94.6	Very high	93.9	Very high	8 Å²	8	56.2 Å²	56.2	7%	0.066	31%	0.309	C	S	.	.			trans	-72.4	149.6	-171.7	0	0	0	0	0	112.2	V724 I726 L741 Q742 C745	V724-A747 HydrophobicContact CB-CB 3.76Å; V724-A747 HydrophobicContact CG1-CB 3.92Å; V724-A747 CarbonylContact O-C 3.5Å; V724-A747 VanDerWaalsContact O-CA 3.26Å; V724-A747 WeakPolarHBondContact O-CA 3.14Å; I726-A747 HydrophobicContact CD1-CB 3.64Å; I726-A747 HydrophobicContact CG1-CB 3.96Å; L741-A747 HydrophobicContact CB-CB 4Å; L741-A747 WeakPolarHBondContact O-CB 3.38Å; L741-A747 PolarHBondContact O-N 2.68Å; Q742-A747 WeakPolarHBondContact CG-O 3.29Å; C745-A747 PolarHBondContact O-N 3.47Å
748	V	95.1	Very high	93.8	Very high	51 Å²	51	56.2 Å²	56.2	31%	0.309	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	127.4	173.5	-169.1	0	0	0	0	109.9	V724 V725 I726 Q761	V724-V748 PolarHBondContact O-N 3.06Å; V725-V748 CarbonylContact C-O 3.55Å; V725-V748 WeakPolarHBondContact CA-O 3.2Å; I726-V748 PolarHBondContact N-O 3.26Å; V748-Q761 VanDerWaalsContact CG1-OE1 3.26Å
749	V	96.1	Very high	93.6	Very high	23 Å²	23	57.5 Å²	57.5	14%	0.139	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	130.4	171.6	-177.8	0	0	0	0	109.1	I726 Q742 D751 K754	I726-V749 HydrophobicContact CB-CG2 4.4Å; I726-V749 HydrophobicContact CD1-CG2 4.44Å; Q742-V749 HydrophobicContact CG-CG2 4.04Å; V749-D751 PolarHBondContact O-N 3.41Å; V749-K754 PolarHBondContact O-NZ 3.49Å; V749-K754 VanDerWaalsContact O-NZ 3.07Å
750	W	96.1	Very high	93.4	Very high	1 Å²	1	54.9 Å²	54.9	0%	0.004	31%	0.309	C	S	.	.			trans	-61.7	121.7	172.7	178	-76.3	0	0	0	109.4	V464 D465 I726 N758 I759 A762 A788 L794	V464-W750 HydrophobicContact CB-CZ2 3.81Å; V464-W750 HydrophobicContact CG1-CH2 4.29Å; V464-W750 HydrophobicContact CG1-CZ2 4.04Å; V464-W750 HydrophobicContact CG2-CZ2 4.47Å; D465-W750 WeakPolarHBondContact OD2-CH2 3.49Å; I726-W750 VanDerWaalsContact O-CB 3.22Å; I726-W750 WeakPolarHBondContact O-CB 3.33Å; I726-W750 PolarHBondContact O-N 3.43Å; W750-N758 WeakPolarHBondContact CA-OD1 3.41Å; W750-N758 HydrophobicContact CD2-CB 3.79Å; W750-N758 HydrophobicContact CE3-CB 3.53Å; W750-N758 HydrophobicContact CH2-CB 4.02Å; W750-N758 HydrophobicContact CZ2-CB 4.26Å; W750-N758 HydrophobicContact CZ3-CB 3.64Å; W750-I759 HydrophobicContact CH2-CG1 4.39Å; W750-A762 HydrophobicContact CZ3-CB 4.26Å; W750-A788 PolarHBondContact NE1-O 3.25Å; W750-L794 HydrophobicContact CB-CD1 4.11Å; W750-L794 HydrophobicContact CB-CD2 4.23Å; W750-L794 HydrophobicContact CD2-CD1 3.97Å; W750-L794 HydrophobicContact CD2-CD2 4.17Å; W750-L794 HydrophobicContact CD2-CG 4.05Å; W750-L794 HydrophobicContact CE3-CD1 4.04Å; W750-L794 HydrophobicContact CE3-CD2 3.51Å; W750-L794 HydrophobicContact CE3-CG 3.59Å; W750-L794 HydrophobicContact CG-CD1 4.03Å; W750-L794 HydrophobicContact CZ3-CD2 4.23Å; W750-L794 HydrophobicContact CZ3-CG 4.07Å
751	D	94.9	Very high	93.3	Very high	63 Å²	63	52.4 Å²	52.4	34%	0.337	30%	0.301	S	S	.	.			trans	-131.7	111.4	-172.1	164.4	8.1	0	0	0	108.3	V749 A753 K754 N758	V749-D751 PolarHBondContact O-N 3.41Å; D751-A753 PolarHBondContact O-N 3.26Å; D751-A753 VanDerWaalsContact OD1-CB 3.24Å; D751-A753 WeakPolarHBondContact OD1-CB 3.44Å; D751-A753 PolarHBondContact OD1-N 3.08Å; D751-K754 HydrophobicContact CB-CD 3.96Å; D751-K754 HydrophobicContact CB-CG 4.09Å; D751-K754 PolarHBondContact O-N 3.01Å; D751-K754 VanDerWaalsContact OD2-CE 3.31Å; D751-K754 WeakPolarHBondContact OD2-CE 3.36Å; D751-N758 PolarHBondContact N-OD1 3.07Å; D751-N758 PolarHBondContact O-ND2 2.85Å; D751-N758 PolarHBondContact O-OD1 3.49Å
752	P	93.3	Very high	93.1	Very high	31 Å²	31	52.3 Å²	52.3	20%	0.201	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-53.3	-27.8	-178.3	-30.8	38	0	0	0	114.9	V464 K754 G755 A788 E789	V464-P752 HydrophobicContact CG2-CB 4.37Å; P752-K754 PolarHBondContact O-N 2.94Å; P752-G755 PolarHBondContact O-N 2.95Å; P752-G755 VanDerWaalsContact O-N 3.13Å; P752-A788 HydrophobicContact CB-CB 4.28Å; P752-A788 HydrophobicContact CG-CB 3.73Å; P752-E789 WeakPolarHBondContact CD-OE2 3.45Å; P752-E789 WeakPolarHBondContact CG-OE1 3.48Å; P752-E789 WeakPolarHBondContact CG-OE2 3.4Å
753	A	93.7	Very high	92.9	Very high	92 Å²	92	51.7 Å²	51.7	76%	0.76	30%	0.298	S	S	*	.	G	3₁₀ helix	trans	-65.9	-26.1	179.1	0	0	0	0	0	112.9	D751 G755	D751-A753 PolarHBondContact O-N 3.26Å; D751-A753 VanDerWaalsContact OD1-CB 3.24Å; D751-A753 WeakPolarHBondContact OD1-CB 3.44Å; D751-A753 PolarHBondContact OD1-N 3.08Å; A753-G755 VanDerWaalsContact C-N 3.26Å; A753-G755 PolarHBondContact O-N 2.87Å
754	K	92.8	Very high	92.8	Very high	72 Å²	72	52.9 Å²	52.9	31%	0.313	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	-76.6	-11	175.9	-54.5	173.2	-170	151.4	0	113.4	V749 D751 P752 A756 E757	V749-K754 PolarHBondContact O-NZ 3.49Å; V749-K754 VanDerWaalsContact O-NZ 3.07Å; D751-K754 HydrophobicContact CB-CD 3.96Å; D751-K754 HydrophobicContact CB-CG 4.09Å; D751-K754 PolarHBondContact O-N 3.01Å; D751-K754 VanDerWaalsContact OD2-CE 3.31Å; D751-K754 WeakPolarHBondContact OD2-CE 3.36Å; P752-K754 PolarHBondContact O-N 2.94Å; K754-A756 PolarHBondContact O-N 3.2Å; K754-E757 HydrophobicContact CB-CB 4.13Å; K754-E757 PolarHBondContact O-N 2.9Å
755	G	90.8	Very high	92.7	Very high	25 Å²	25	49.1 Å²	49.1	26%	0.258	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.8	-130	178.7	0	0	0	0	0	112.6	V464 P752 A753 E757 N758	V464-G755 WeakPolarHBondContact CG1-O 3.35Å; P752-G755 PolarHBondContact O-N 2.95Å; P752-G755 VanDerWaalsContact O-N 3.13Å; A753-G755 VanDerWaalsContact C-N 3.26Å; A753-G755 PolarHBondContact O-N 2.87Å; G755-E757 PolarHBondContact O-N 2.85Å; G755-E757 VanDerWaalsContact O-N 3.09Å; G755-N758 PolarHBondContact O-N 3.5Å; G755-N758 PolarHBondContact O-ND2 3.03Å
756	A	88.2	Confident	92.7	Very high	73 Å²	73	51.7 Å²	51.7	60%	0.603	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-20.3	-174.2	0	0	0	0	0	115	K754 N758 I759 S760	K754-A756 PolarHBondContact O-N 3.2Å; A756-N758 PolarHBondContact O-N 3.5Å; A756-I759 WeakPolarHBondContact O-CB 3.47Å; A756-I759 PolarHBondContact O-N 3.16Å; A756-S760 PolarHBondContact O-N 2.93Å
757	E	93.3	Very high	93.1	Very high	107 Å²	107	45.2 Å²	45.2	50%	0.5	26%	0.263	S	S	.	.	H	α-helix	trans	-57.3	-36.9	177	-161.8	-165	155.9	0	0	111.6	K754 G755 I759 S760 Q761	K754-E757 HydrophobicContact CB-CB 4.13Å; K754-E757 PolarHBondContact O-N 2.9Å; G755-E757 PolarHBondContact O-N 2.85Å; G755-E757 VanDerWaalsContact O-N 3.09Å; E757-I759 PolarHBondContact O-N 3.1Å; E757-S760 PolarHBondContact O-N 3.31Å; E757-Q761 VanDerWaalsContact CD-NE2 3.3Å; E757-Q761 HydrophobicContact CG-CG 4.47Å; E757-Q761 WeakPolarHBondContact O-CG 3.45Å; E757-Q761 PolarHBondContact O-N 3.08Å; E757-Q761 PolarHBondContact OE1-NE2 2.99Å
758	N	94.1	Very high	93.1	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-59.4	-32	176.8	-62.2	-74.8	0	0	0	112.9	V464 W750 D751 G755 A756 A762	V464-N758 HydrophobicContact CG1-CB 4.44Å; W750-N758 WeakPolarHBondContact CA-OD1 3.41Å; W750-N758 HydrophobicContact CD2-CB 3.79Å; W750-N758 HydrophobicContact CE3-CB 3.53Å; W750-N758 HydrophobicContact CH2-CB 4.02Å; W750-N758 HydrophobicContact CZ2-CB 4.26Å; W750-N758 HydrophobicContact CZ3-CB 3.64Å; D751-N758 PolarHBondContact N-OD1 3.07Å; D751-N758 PolarHBondContact O-ND2 2.85Å; D751-N758 PolarHBondContact O-OD1 3.49Å; G755-N758 PolarHBondContact O-N 3.5Å; G755-N758 PolarHBondContact O-ND2 3.03Å; A756-N758 PolarHBondContact O-N 3.5Å; N758-A762 VanDerWaalsContact O-CB 3.28Å; N758-A762 WeakPolarHBondContact O-CB 3.26Å; N758-A762 PolarHBondContact O-N 3.4Å
759	I	92.9	Very high	93.2	Very high	29 Å²	29	42.4 Å²	42.4	15%	0.149	25%	0.245	C	C	.	.	H	α-helix	trans	-72	-45.8	179.2	-55.8	179.6	0	0	0	109.4	L412 V464 D465 W750 A756 E757 Q761 A762 E763 L797	L412-I759 HydrophobicContact CD2-CG2 3.67Å; V464-I759 HydrophobicContact CG1-CD1 4.1Å; V464-I759 HydrophobicContact CG1-CG1 3.94Å; D465-I759 HydrophobicContact CB-CD1 4.14Å; W750-I759 HydrophobicContact CH2-CG1 4.39Å; A756-I759 WeakPolarHBondContact O-CB 3.47Å; A756-I759 PolarHBondContact O-N 3.16Å; E757-I759 PolarHBondContact O-N 3.1Å; I759-Q761 VanDerWaalsContact C-N 3.35Å; I759-Q761 PolarHBondContact O-N 3.08Å; I759-A762 PolarHBondContact O-N 2.99Å; I759-E763 WeakPolarHBondContact O-CB 3.3Å; I759-E763 PolarHBondContact O-N 3.09Å; I759-L797 HydrophobicContact CG2-CD1 3.91Å
760	S	92.2	Very high	93.3	Very high	56 Å²	56	41.6 Å²	41.6	39%	0.392	24%	0.24	S	C	.	.	H	α-helix	trans	-64	-37.8	174.9	-58.7	0	0	0	0	112.5	A756 E757 E763 Q764	A756-S760 PolarHBondContact O-N 2.93Å; E757-S760 PolarHBondContact O-N 3.31Å; S760-E763 PolarHBondContact O-N 3.09Å; S760-Q764 WeakPolarHBondContact O-CB 3.5Å; S760-Q764 VanDerWaalsContact O-CG 3.28Å; S760-Q764 WeakPolarHBondContact O-CG 3.4Å; S760-Q764 PolarHBondContact O-N 3.39Å; S760-Q764 VanDerWaalsContact O-N 3.1Å
761	Q	92.5	Very high	93.4	Very high	33 Å²	33	42.1 Å²	42.1	15%	0.154	24%	0.242	C	C	.	.	H	α-helix	trans	-63.3	-45.3	172.1	-70.8	172.6	4.7	0	0	111.1	V748 E757 I759 E763 Q764 A765	V748-Q761 VanDerWaalsContact CG1-OE1 3.26Å; E757-Q761 VanDerWaalsContact CD-NE2 3.3Å; E757-Q761 HydrophobicContact CG-CG 4.47Å; E757-Q761 WeakPolarHBondContact O-CG 3.45Å; E757-Q761 PolarHBondContact O-N 3.08Å; E757-Q761 PolarHBondContact OE1-NE2 2.99Å; I759-Q761 VanDerWaalsContact C-N 3.35Å; I759-Q761 PolarHBondContact O-N 3.08Å; Q761-E763 VanDerWaalsContact C-N 3.32Å; Q761-E763 PolarHBondContact O-N 3.48Å; Q761-Q764 PolarHBondContact O-N 3.06Å; Q761-A765 VanDerWaalsContact O-CB 3.28Å; Q761-A765 WeakPolarHBondContact O-CB 3.35Å; Q761-A765 PolarHBondContact O-N 2.73Å
762	A	93.4	Very high	93.5	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-69.1	-26	177.6	0	0	0	0	0	113.8	V725 W750 N758 I759 L797 P798	V725-A762 HydrophobicContact CG1-CB 4.31Å; W750-A762 HydrophobicContact CZ3-CB 4.26Å; N758-A762 VanDerWaalsContact O-CB 3.28Å; N758-A762 WeakPolarHBondContact O-CB 3.26Å; N758-A762 PolarHBondContact O-N 3.4Å; I759-A762 PolarHBondContact O-N 2.99Å; A762-L797 HydrophobicContact CB-CD1 4.32Å; A762-L797 WeakPolarHBondContact O-CB 3.44Å; A762-P798 WeakPolarHBondContact O-CD 3.3Å; A762-P798 WeakPolarHBondContact O-CG 3.47Å
763	E	90.6	Very high	93.7	Very high	78 Å²	78	38.7 Å²	38.7	36%	0.364	22%	0.221	S	C	.	.	H	α-helix	trans	-69.7	-41.9	171.4	-168.2	-162.6	162.2	0	0	112	L378 I759 S760 Q761 L797	L378-E763 HydrophobicContact CD1-CG 4.2Å; L378-E763 VanDerWaalsContact CD1-OE1 3.24Å; L378-E763 WeakPolarHBondContact CD1-OE1 3.4Å; I759-E763 WeakPolarHBondContact O-CB 3.3Å; I759-E763 PolarHBondContact O-N 3.09Å; S760-E763 PolarHBondContact O-N 3.09Å; Q761-E763 VanDerWaalsContact C-N 3.32Å; Q761-E763 PolarHBondContact O-N 3.48Å; E763-L797 HydrophobicContact CB-CD1 4.29Å
764	Q	89.7	Confident	93.9	Very high	145 Å²	145	36.6 Å²	36.6	68%	0.678	19%	0.194	S	C	*	.	H	α-helix	trans	-82.1	-15.9	179.7	-65.4	170.6	25.6	0	0	113.3	S760 Q761	S760-Q764 WeakPolarHBondContact O-CB 3.5Å; S760-Q764 VanDerWaalsContact O-CG 3.28Å; S760-Q764 WeakPolarHBondContact O-CG 3.4Å; S760-Q764 PolarHBondContact O-N 3.39Å; S760-Q764 VanDerWaalsContact O-N 3.1Å; Q761-Q764 PolarHBondContact O-N 3.06Å
765	A	92.5	Very high	94.2	Very high	4 Å²	4	33.1 Å²	33.1	3%	0.033	18%	0.179	C	C	.	.			trans	-69.9	136.5	179.4	0	0	0	0	0	112.2	V725 Q761 P798	V725-A765 HydrophobicContact CB-CB 3.87Å; V725-A765 HydrophobicContact CG1-CB 3.58Å; Q761-A765 VanDerWaalsContact O-CB 3.28Å; Q761-A765 WeakPolarHBondContact O-CB 3.35Å; Q761-A765 PolarHBondContact O-N 2.73Å; A765-P798 HydrophobicContact CB-CB 4.48Å; A765-P798 HydrophobicContact CB-CG 4.22Å; A765-P798 VanDerWaalsContact O-CA 3.27Å; A765-P798 WeakPolarHBondContact O-CA 3.46Å; A765-P798 WeakPolarHBondContact O-CB 3.48Å
766	K	92.3	Very high	94.5	Very high	59 Å²	59	32 Å²	32	26%	0.257	17%	0.167	S	C	.	.	S	Bend	trans	-83.4	-35.7	174.9	-169.1	159.1	-174.8	164.8	0	111.7	S723 E799 Y800	S723-K766 PolarHBondContact O-N 3.04Å; K766-E799 HydrophobicContact CG-CB 4.44Å; K766-E799 PolarHBondContact O-N 3.21Å; K766-Y800 HydrophobicContact CG-CD2 4.1Å; K766-Y800 HydrophobicContact CG-CE2 4.09Å; K766-Y800 PolarHBondContact O-N 3.01Å
767	V	95.3	Very high	94.9	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	125.5	177.1	-174	0	0	0	0	110.3	L719 S723 V724 V725 V769 Y800 L802	L719-V767 HydrophobicContact CB-CG2 3.66Å; L719-V767 HydrophobicContact CD1-CG1 4.14Å; L719-V767 HydrophobicContact CD1-CG2 4.23Å; S723-V767 PolarHBondContact O-N 3.02Å; V724-V767 WeakPolarHBondContact CA-O 3.35Å; V724-V767 HydrophobicContact CG1-CB 4.33Å; V724-V767 HydrophobicContact CG2-CB 4.27Å; V725-V767 PolarHBondContact N-O 3.12Å; V767-V769 HydrophobicContact CG1-CG2 4.11Å; V767-Y800 WeakPolarHBondContact CA-O 3.41Å; V767-Y800 HydrophobicContact CG2-CD2 4.48Å; V767-L802 HydrophobicContact CG1-CB 4.25Å
768	G	95.9	Very high	95	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	124	165.4	0	0	0	0	0	111.1	V725 Y800 S801 L802	V725-G768 CarbonylContact O-C 3.59Å; V725-G768 WeakPolarHBondContact O-CA 3.2Å; G768-Y800 PolarHBondContact N-O 3.2Å; G768-S801 CarbonylContact O-C 3.5Å; G768-S801 WeakPolarHBondContact O-CA 3.43Å; G768-L802 PolarHBondContact O-N 2.69Å
769	V	97.1	Very high	95	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	121.7	178.4	-172.6	0	0	0	0	109.3	V724 V725 I726 S727 I737 L741 V767 L802 I804	V724-V769 HydrophobicContact CG1-CG2 3.79Å; V725-V769 PolarHBondContact O-N 3.35Å; I726-V769 WeakPolarHBondContact CA-O 3.22Å; I726-V769 HydrophobicContact CB-CB 4.47Å; I726-V769 HydrophobicContact CG1-CB 4.31Å; I726-V769 HydrophobicContact CG2-CB 4.18Å; I726-V769 HydrophobicContact CG2-CG1 4.36Å; S727-V769 PolarHBondContact N-O 2.85Å; I737-V769 HydrophobicContact CG2-CG1 4.45Å; L741-V769 HydrophobicContact CD1-CG1 4.28Å; L741-V769 HydrophobicContact CD1-CG2 3.99Å; V767-V769 HydrophobicContact CG1-CG2 4.11Å; V769-L802 WeakPolarHBondContact CA-O 3.49Å; V769-L802 HydrophobicContact CG1-CD2 4.32Å; V769-L802 HydrophobicContact CG1-CG 4.47Å; V769-L802 HydrophobicContact CG2-CB 4.3Å; V769-L802 HydrophobicContact CG2-CD2 4.25Å; V769-I804 HydrophobicContact CG1-CD1 4.43Å; V769-I804 HydrophobicContact CG1-CG1 4.25Å
770	V	97.1	Very high	95.1	Very high	6 Å²	6	22.9 Å²	22.9	4%	0.036	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	145.2	-174.1	-72.8	0	0	0	0	111.8	L794 L802 F803 I804	V770-L794 HydrophobicContact CG1-CB 3.49Å; V770-L794 VanDerWaalsContact CG1-CB 3.49Å; V770-L794 HydrophobicContact CG1-CD1 4.19Å; V770-L794 HydrophobicContact CG1-CG 4.47Å; V770-L802 PolarHBondContact N-O 3.27Å; V770-F803 HydrophobicContact CG2-CD1 3.4Å; V770-F803 VanDerWaalsContact CG2-CD1 3.4Å; V770-F803 HydrophobicContact CG2-CE1 3.73Å; V770-F803 HydrophobicContact CG2-CG 4.17Å; V770-F803 CarbonylContact O-C 3.58Å; V770-F803 WeakPolarHBondContact O-CA 3.44Å; V770-I804 PolarHBondContact O-N 3.49Å
771	Y	97.8	Very high	95.2	Very high	12 Å²	12	20.2 Å²	20.2	5%	0.047	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	137.2	170.3	-152.5	-78.9	0	0	0	111	D729 R731 L732 L735 L784 I804 R806	D729-Y771 WeakPolarHBondContact OD2-CB 3.46Å; R731-Y771 HydrophobicContact CB-CD2 3.59Å; R731-Y771 HydrophobicContact CB-CE1 4.43Å; R731-Y771 HydrophobicContact CB-CE2 3.41Å; R731-Y771 VanDerWaalsContact CB-CE2 3.41Å; R731-Y771 HydrophobicContact CB-CG 4.19Å; R731-Y771 HydrophobicContact CG-CE2 4.5Å; L732-Y771 HydrophobicContact CD2-CD2 3.75Å; L732-Y771 HydrophobicContact CG-CD2 4.12Å; L735-Y771 HydrophobicContact CD1-CE2 4Å; Y771-L784 WeakPolarHBondContact O-CD2 3.37Å; Y771-I804 HydrophobicContact CD2-CB 4.21Å; Y771-I804 HydrophobicContact CD2-CG2 4.22Å; Y771-I804 HydrophobicContact CE2-CG2 4.14Å; Y771-R806 VanDerWaalsContact OH-CD 3.25Å; Y771-R806 WeakPolarHBondContact OH-CD 3.33Å; Y771-R806 VanDerWaalsContact OH-CG 3.31Å; Y771-R806 WeakPolarHBondContact OH-CG 3.02Å; Y771-R806 PolarHBondContact OH-NE 2.91Å
772	A	97.9	Very high	95.4	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	9%	0.086	C	C	.	.			trans	-103.6	136.4	175.3	0	0	0	0	0	111.5	V782 L784 I804 L805	A772-V782 HydrophobicContact CB-CB 3.93Å; A772-V782 HydrophobicContact CB-CG1 4.13Å; A772-L784 HydrophobicContact CB-CD2 4.05Å; A772-I804 PolarHBondContact N-O 2.99Å; A772-L805 HydrophobicContact CB-CB 4.42Å; A772-L805 HydrophobicContact CB-CD1 3.93Å
773	E	97.7	Very high	95.7	Very high	21 Å²	21	18.6 Å²	18.6	10%	0.098	9%	0.086	C	C	.	.	S	Bend	trans	-73.8	-37.5	-177.9	-55.6	-60.7	158.1	0	0	112.3	R731 V783 F785 R790 T809	R731-E773 IonicContact CZ-OE1 3.21Å; R731-E773 IonicContact CZ-OE2 2.7Å; R731-E773 IonicContact NH1-OE1 2.74Å; R731-E773 IonicContact NH1-OE2 3.7Å; R731-E773 PolarHBondContact NH1-OE2 2.85Å; R731-E773 IonicContact NH2-OE1 2.87Å; R731-E773 PolarHBondContact NH2-OE1 3.38Å; R731-E773 IonicContact NH2-OE2 3.88Å; R731-E773 PolarHBondContact NH2-OE2 3.48Å; E773-V783 PolarHBondContact N-O 3.16Å; E773-F785 HydrophobicContact CB-CD2 4.42Å; E773-F785 HydrophobicContact CB-CE2 4.42Å; E773-F785 HydrophobicContact CG-CB 4.04Å; E773-F785 HydrophobicContact CG-CD1 4.27Å; E773-F785 HydrophobicContact CG-CD2 3.69Å; E773-F785 HydrophobicContact CG-CE2 4.17Å; E773-F785 HydrophobicContact CG-CG 3.74Å; E773-R790 IonicContact OE1-CZ 2.72Å; E773-R790 IonicContact OE1-NH1 3.6Å; E773-R790 PolarHBondContact OE1-NH1 3.31Å; E773-R790 IonicContact OE1-NH2 2.7Å; E773-T809 WeakPolarHBondContact O-CB 3.45Å
774	Y	98.3	Very high	96	Very high	48 Å²	48	15.6 Å²	15.6	19%	0.188	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	152.1	-178.9	-55.7	-69.9	0	0	0	111.3	V782 V783 F785 L805 T809 L811 L817 K820	Y774-V782 WeakPolarHBondContact O-CA 3.3Å; Y774-V783 HydrophobicContact CD2-CB 4.36Å; Y774-V783 HydrophobicContact CD2-CG1 4.44Å; Y774-V783 PolarHBondContact O-N 2.87Å; Y774-F785 HydrophobicContact CD2-CZ 4.49Å; Y774-F785 HydrophobicContact CE2-CE2 4.28Å; Y774-F785 AromaticContact CE2-CZ 3.98Å; Y774-F785 HydrophobicContact CE2-CZ 3.98Å; Y774-L805 VanDerWaalsContact C-CD1 3.47Å; Y774-T809 WeakPolarHBondContact CA-O 3.38Å; Y774-T809 WeakPolarHBondContact CD1-O 3.49Å; Y774-L811 HydrophobicContact CD1-CD1 3.68Å; Y774-L811 HydrophobicContact CD1-CD2 4.13Å; Y774-L811 HydrophobicContact CD1-CG 3.82Å; Y774-L811 HydrophobicContact CD2-CD1 4.27Å; Y774-L811 HydrophobicContact CE1-CD1 4.31Å; Y774-L811 HydrophobicContact CG-CD1 3.68Å; Y774-L811 HydrophobicContact CG-CG 4.12Å; Y774-L817 HydrophobicContact CD2-CD1 3.68Å; Y774-L817 HydrophobicContact CE2-CD1 3.93Å; Y774-K820 HydrophobicContact CE1-CD 4.08Å
775	G	98	Very high	96.3	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	4%	0.044	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	156.6	160.2	0	0	0	0	0	110.4	G781 T809 I810 L811	G775-G781 CarbonylContact C-O 3.59Å; G775-G781 WeakPolarHBondContact CA-O 3.39Å; G775-T809 PolarHBondContact N-O 3.26Å; G775-I810 CarbonylContact O-C 3.39Å; G775-L811 PolarHBondContact O-N 3.37Å
776	L	97.8	Very high	96.5	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	5%	0.046	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	104.4	179.2	-58.1	179.6	0	0	0	110.3	E778 S779 G780 G781 V783 L811 V814 L817 I837	L776-E778 VanDerWaalsContact C-N 3.31Å; L776-E778 PolarHBondContact O-N 3.05Å; L776-S779 PolarHBondContact O-N 3.37Å; L776-S779 VanDerWaalsContact O-N 3.14Å; L776-G780 PolarHBondContact O-N 2.94Å; L776-G781 PolarHBondContact N-O 3.38Å; L776-V783 HydrophobicContact CD1-CG2 3.99Å; L776-V783 HydrophobicContact CD2-CG2 4.09Å; L776-V783 HydrophobicContact CG-CG2 3.9Å; L776-L811 WeakPolarHBondContact CA-O 3.24Å; L776-L811 HydrophobicContact CD2-CB 4.21Å; L776-V814 HydrophobicContact CD1-CG2 3.85Å; L776-L817 HydrophobicContact CD2-CB 4.5Å; L776-I837 HydrophobicContact CD1-CD1 4.32Å; L776-I837 HydrophobicContact CD1-CG2 3.5Å
777	T	97.4	Very high	96.6	Very high	3 Å²	3	8.3 Å²	8.3	2%	0.018	4%	0.044	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-40.4	-175.6	-58.4	0	0	0	0	113	L676 R684 A687 S779 I810 L811 P812	L676-T777 HydrophobicContact CD1-CG2 4.2Å; R684-T777 WeakPolarHBondContact CB-OG1 3.4Å; R684-T777 HydrophobicContact CG-CG2 4.38Å; R684-T777 WeakPolarHBondContact O-CG2 3.32Å; R684-T777 PolarHBondContact O-OG1 3.46Å; A687-T777 HydrophobicContact CB-CG2 3.62Å; T777-S779 PolarHBondContact O-N 3.23Å; T777-I810 WeakPolarHBondContact OG1-CG2 3.44Å; T777-L811 PolarHBondContact N-O 3.45Å; T777-L811 PolarHBondContact OG1-O 3.27Å; T777-P812 WeakPolarHBondContact CB-O 3.29Å; T777-P812 PolarHBondContact N-O 3.3Å
778	E	95	Very high	96.6	Very high	9 Å²	9	9.3 Å²	9.3	4%	0.042	5%	0.052	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-41.8	178.4	179.5	164.8	-140.2	0	0	112.8	R441 R447 R675 L676 L776 P812 R813	R441-E778 IonicContact CZ-OE1 3.6Å; R441-E778 IonicContact NH1-OE1 3.68Å; R441-E778 PolarHBondContact NH1-OE1 3.17Å; R441-E778 IonicContact NH2-OE1 2.87Å; R441-E778 PolarHBondContact NH2-OE1 3.34Å; R447-E778 WeakPolarHBondContact CD-O 3.48Å; R447-E778 PolarHBondContact NH1-O 3.12Å; R675-E778 IonicContact CZ-OE1 2.72Å; R675-E778 IonicContact NE-OE1 2.7Å; R675-E778 PolarHBondContact NE-OE1 3.3Å; R675-E778 IonicContact NH2-OE1 3.24Å; R675-E778 PolarHBondContact NH2-OE1 2.95Å; L676-E778 HydrophobicContact CD1-CB 3.82Å; L776-E778 VanDerWaalsContact C-N 3.31Å; L776-E778 PolarHBondContact O-N 3.05Å; E778-P812 PolarHBondContact N-O 2.85Å; E778-R813 HydrophobicContact CB-CB 3.8Å; E778-R813 IonicContact OE2-CZ 3Å; E778-R813 IonicContact OE2-NE 2.62Å; E778-R813 PolarHBondContact OE2-NE 3.47Å; E778-R813 IonicContact OE2-NH2 3.42Å; E778-R813 PolarHBondContact OE2-NH2 3.14Å; E778-R813 VanDerWaalsContact OE2-NH2 3.08Å
779	S	93.2	Very high	96.6	Very high	6 Å²	6	13.2 Å²	13.2	4%	0.042	7%	0.07	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106	-2.1	-169.6	68.1	0	0	0	0	114.9	F691 L776 T777 G781	F691-S779 WeakPolarHBondContact CD1-O 3.12Å; F691-S779 WeakPolarHBondContact CE1-O 3.37Å; L776-S779 PolarHBondContact O-N 3.37Å; L776-S779 VanDerWaalsContact O-N 3.14Å; T777-S779 PolarHBondContact O-N 3.23Å; S779-G781 PolarHBondContact O-N 2.96Å; S779-G781 PolarHBondContact OG-N 3.27Å
780	G	94.8	Very high	96.5	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.5	28.5	-170.7	0	0	0	0	0	112.5	L776 Y863	L776-G780 PolarHBondContact O-N 2.94Å; G780-Y863 VanDerWaalsContact O-CE2 3.23Å; G780-Y863 WeakPolarHBondContact O-CE2 3.46Å; G780-Y863 PolarHBondContact O-OH 3.1Å
781	G	95	Very high	96.3	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	148.8	-169.8	0	0	0	0	0	113.7	G775 L776 S779 I838	G775-G781 CarbonylContact C-O 3.59Å; G775-G781 WeakPolarHBondContact CA-O 3.39Å; L776-G781 PolarHBondContact N-O 3.38Å; S779-G781 PolarHBondContact O-N 2.96Å; S779-G781 PolarHBondContact OG-N 3.27Å; G781-I838 CarbonylContact C-O 3.5Å; G781-I838 WeakPolarHBondContact CA-O 3.28Å
782	V	97.3	Very high	96.2	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	148.2	175.8	-70.3	0	0	0	0	111.3	F688 A772 Y774 F803 L805 I837 I838 Y863	F688-V782 HydrophobicContact CZ-CG1 4.21Å; A772-V782 HydrophobicContact CB-CB 3.93Å; A772-V782 HydrophobicContact CB-CG1 4.13Å; Y774-V782 WeakPolarHBondContact O-CA 3.3Å; V782-F803 HydrophobicContact CG1-CB 4.42Å; V782-F803 HydrophobicContact CG2-CB 4.45Å; V782-F803 HydrophobicContact CG2-CD1 3.65Å; V782-F803 HydrophobicContact CG2-CD2 4.38Å; V782-F803 HydrophobicContact CG2-CE1 3.88Å; V782-F803 HydrophobicContact CG2-CG 3.92Å; V782-F803 HydrophobicContact CG2-CZ 4.34Å; V782-L805 HydrophobicContact CG1-CD2 4.27Å; V782-I837 WeakPolarHBondContact O-CA 3.36Å; V782-I838 HydrophobicContact CG2-CB 4.13Å; V782-I838 PolarHBondContact N-O 3.21Å; V782-I838 PolarHBondContact O-N 3.16Å; V782-Y863 HydrophobicContact CB-CE1 4.38Å; V782-Y863 HydrophobicContact CG1-CD1 3.97Å; V782-Y863 HydrophobicContact CG1-CD2 4.47Å; V782-Y863 HydrophobicContact CG1-CE1 3.63Å; V782-Y863 HydrophobicContact CG1-CE2 4.19Å; V782-Y863 HydrophobicContact CG1-CG 4.38Å; V782-Y863 HydrophobicContact CG2-CE1 3.82Å
783	V	98.2	Very high	96	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	126.4	179.4	-171.6	0	0	0	0	109.5	E773 Y774 L776 F785 L817 I835 N836 I837	E773-V783 PolarHBondContact N-O 3.16Å; Y774-V783 HydrophobicContact CD2-CB 4.36Å; Y774-V783 HydrophobicContact CD2-CG1 4.44Å; Y774-V783 PolarHBondContact O-N 2.87Å; L776-V783 HydrophobicContact CD1-CG2 3.99Å; L776-V783 HydrophobicContact CD2-CG2 4.09Å; L776-V783 HydrophobicContact CG-CG2 3.9Å; V783-F785 HydrophobicContact CG1-CD1 4.3Å; V783-F785 HydrophobicContact CG1-CE1 3.82Å; V783-L817 HydrophobicContact CG1-CD1 4.08Å; V783-L817 HydrophobicContact CG1-CD2 3.92Å; V783-L817 HydrophobicContact CG2-CD2 3.95Å; V783-I835 HydrophobicContact CG1-CG2 4.15Å; V783-N836 CarbonylContact C-O 3.43Å; V783-N836 WeakPolarHBondContact CA-O 3.32Å; V783-I837 HydrophobicContact CG2-CG1 4.42Å
784	L	97.6	Very high	95.9	Very high	14 Å²	14	15 Å²	15	7%	0.073	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	138.4	174.4	-54.1	-173.7	0	0	0	110.9	Y771 A772 S795 F803 I835 N836 I838	Y771-L784 WeakPolarHBondContact O-CD2 3.37Å; A772-L784 HydrophobicContact CB-CD2 4.05Å; L784-S795 VanDerWaalsContact CD1-CB 3.5Å; L784-S795 VanDerWaalsContact CD1-OG 3.24Å; L784-S795 WeakPolarHBondContact CD1-OG 3.1Å; L784-F803 HydrophobicContact CD1-CE1 4.18Å; L784-F803 HydrophobicContact CD2-CD1 4.2Å; L784-F803 HydrophobicContact CD2-CE1 4.47Å; L784-I835 WeakPolarHBondContact O-CA 3.24Å; L784-N836 HydrophobicContact CB-CB 4.45Å; L784-N836 PolarHBondContact N-O 2.86Å; L784-N836 PolarHBondContact O-N 2.91Å; L784-I838 HydrophobicContact CD1-CD1 3.92Å; L784-I838 HydrophobicContact CG-CD1 4.41Å
785	F	96.9	Very high	95.6	Very high	21 Å²	21	12.8 Å²	12.8	9%	0.092	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	124.8	167.1	-64	-14.9	0	0	0	109.9	E773 Y774 V783 R790 L817 L821 P832 I835	E773-F785 HydrophobicContact CB-CD2 4.42Å; E773-F785 HydrophobicContact CB-CE2 4.42Å; E773-F785 HydrophobicContact CG-CB 4.04Å; E773-F785 HydrophobicContact CG-CD1 4.27Å; E773-F785 HydrophobicContact CG-CD2 3.69Å; E773-F785 HydrophobicContact CG-CE2 4.17Å; E773-F785 HydrophobicContact CG-CG 3.74Å; Y774-F785 HydrophobicContact CD2-CZ 4.49Å; Y774-F785 HydrophobicContact CE2-CE2 4.28Å; Y774-F785 AromaticContact CE2-CZ 3.98Å; Y774-F785 HydrophobicContact CE2-CZ 3.98Å; V783-F785 HydrophobicContact CG1-CD1 4.3Å; V783-F785 HydrophobicContact CG1-CE1 3.82Å; F785-R790 PolarHBondContact O-NE 3.41Å; F785-L817 HydrophobicContact CE1-CD1 4.42Å; F785-L817 HydrophobicContact CZ-CD1 4.25Å; F785-L821 HydrophobicContact CE1-CD2 4.27Å; F785-L821 HydrophobicContact CZ-CD2 3.9Å; F785-P832 HydrophobicContact CB-CB 4.1Å; F785-P832 HydrophobicContact CB-CG 3.81Å; F785-P832 HydrophobicContact CD1-CG 4.27Å; F785-P832 HydrophobicContact CD2-CG 4.04Å; F785-P832 HydrophobicContact CG-CB 4.48Å; F785-P832 HydrophobicContact CG-CG 3.79Å; F785-I835 HydrophobicContact CD1-CB 4.23Å; F785-I835 HydrophobicContact CD1-CD1 4.47Å; F785-I835 HydrophobicContact CD1-CG1 3.78Å; F785-I835 HydrophobicContact CD1-CG2 3.9Å; F785-I835 HydrophobicContact CE1-CB 4.41Å; F785-I835 HydrophobicContact CE1-CD1 4.19Å; F785-I835 HydrophobicContact CE1-CG1 3.96Å; F785-I835 HydrophobicContact CE1-CG2 3.76Å
786	S	96	Very high	95.3	Very high	9 Å²	9	12.8 Å²	12.8	6%	0.063	7%	0.068	C	C	.	.			trans	-65.8	140.5	175.6	63.1	0	0	0	0	112	R790 S833 C834	S786-R790 WeakPolarHBondContact CA-O 3.3Å; S786-S833 PolarHBondContact OG-OG 3.49Å; S786-C834 PolarHBondContact N-O 3.06Å; S786-C834 PolarHBondContact OG-N 2.95Å; S786-C834 PolarHBondContact OG-O 3.48Å
787	A	95.2	Very high	95.1	Very high	26 Å²	26	13 Å²	13	22%	0.215	7%	0.069	C	C	.	.			trans	-145.1	177.6	166.3	0	0	0	0	0	108.6	H463 E789 R790	H463-A787 WeakPolarHBondContact NE2-CA 3.41Å; A787-E789 PolarHBondContact O-N 3.43Å; A787-R790 HydrophobicContact CB-CB 4.1Å; A787-R790 HydrophobicContact CB-CG 4.27Å; A787-R790 PolarHBondContact N-O 2.9Å; A787-R790 CarbonylContact O-C 3.6Å; A787-R790 VanDerWaalsContact O-C 3.23Å; A787-R790 PolarHBondContact O-N 2.88Å
788	A	95	Very high	94.8	Very high	21 Å²	21	12.9 Å²	12.9	17%	0.174	7%	0.068	C	C	.	.	S	Bend	trans	-51.4	-54.2	173.6	0	0	0	0	0	111.5	G462 H463 W750 P752 R790	G462-A788 WeakPolarHBondContact O-CB 3.3Å; H463-A788 PolarHBondContact CD2-N 3.14Å; H463-A788 VanDerWaalsContact CD2-N 3.26Å; H463-A788 PolarHBondContact NE2-N 3.36Å; W750-A788 PolarHBondContact NE1-O 3.25Å; P752-A788 HydrophobicContact CB-CB 4.28Å; P752-A788 HydrophobicContact CG-CB 3.73Å; A788-R790 PolarHBondContact O-N 3.23Å
789	E	95.3	Very high	94.5	Very high	81 Å²	81	15.7 Å²	15.7	38%	0.379	8%	0.082	S	C	.	.	S	Bend	trans	-70.1	-16.7	177.4	-45.4	-47.1	140.8	0	0	114.6	S727 G728 P752 A787	S727-E789 WeakPolarHBondContact CA-O 3.23Å; S727-E789 WeakPolarHBondContact CB-O 3.37Å; G728-E789 PolarHBondContact N-O 3.44Å; G728-E789 VanDerWaalsContact O-CB 3.32Å; G728-E789 WeakPolarHBondContact O-CB 3.43Å; P752-E789 WeakPolarHBondContact CD-OE2 3.45Å; P752-E789 WeakPolarHBondContact CG-OE1 3.48Å; P752-E789 WeakPolarHBondContact CG-OE2 3.4Å; A787-E789 PolarHBondContact O-N 3.43Å
790	R	94.5	Very high	94.4	Very high	69 Å²	69	17.4 Å²	17.4	26%	0.26	9%	0.087	S	C	.	.	S	Bend	trans	-117.5	64	-171.3	-56.2	-178.1	-58	-160.1	1.5	109.5	D729 R731 E773 F785 S786 A787 A788	D729-R790 HydrophobicContact CB-CG 4.34Å; D729-R790 WeakPolarHBondContact OD2-CD 3.3Å; D729-R790 IonicContact OD2-NH1 2.8Å; R731-R790 VanDerWaalsContact NH2-NH1 3.13Å; E773-R790 IonicContact OE1-CZ 2.72Å; E773-R790 IonicContact OE1-NH1 3.6Å; E773-R790 PolarHBondContact OE1-NH1 3.31Å; E773-R790 IonicContact OE1-NH2 2.7Å; F785-R790 PolarHBondContact O-NE 3.41Å; S786-R790 WeakPolarHBondContact CA-O 3.3Å; A787-R790 HydrophobicContact CB-CB 4.1Å; A787-R790 HydrophobicContact CB-CG 4.27Å; A787-R790 PolarHBondContact N-O 2.9Å; A787-R790 CarbonylContact O-C 3.6Å; A787-R790 VanDerWaalsContact O-C 3.23Å; A787-R790 PolarHBondContact O-N 2.88Å; A788-R790 PolarHBondContact O-N 3.23Å
791	G	93.9	Very high	94.4	Very high	5 Å²	5	17.4 Å²	17.4	5%	0.052	9%	0.087	C	C	.	.			trans	-52.9	137.3	179	0	0	0	0	0	113.4	S793 L794	G791-S793 PolarHBondContact O-N 2.77Å; G791-L794 PolarHBondContact O-N 3.22Å
792	R	95.2	Very high	94.5	Very high	4 Å²	4	17.4 Å²	17.4	2%	0.015	9%	0.087	C	C	.	.	G	3₁₀ helix	trans	-60.1	-33.6	176.8	-58	165	-174.2	-144.6	-3.5	111	R407 T410 T411 D465 S795 S833 C834	R407-R792 PolarHBondContact NH2-O 2.98Å; T410-R792 PolarHBondContact O-NH1 3.3Å; T411-R792 HydrophobicContact CG2-CB 3.62Å; D465-R792 VanDerWaalsContact CG-N 3.34Å; D465-R792 WeakPolarHBondContact OD1-CB 3.2Å; D465-R792 WeakPolarHBondContact OD1-CD 3.36Å; D465-R792 VanDerWaalsContact OD1-CG 3.24Å; D465-R792 WeakPolarHBondContact OD1-CG 3.3Å; D465-R792 PolarHBondContact OD1-N 2.88Å; D465-R792 PolarHBondContact OD2-N 2.81Å; R792-S795 PolarHBondContact O-OG 2.98Å; R792-S833 VanDerWaalsContact NH2-CB 3.28Å; R792-S833 PolarHBondContact NH2-O 2.88Å; R792-S833 PolarHBondContact NH2-OG 3.18Å; R792-S833 VanDerWaalsContact NH2-OG 3.08Å; R792-C834 HydrophobicContact CG-CB 4.22Å
793	S	94.7	Very high	94.5	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.088	C	C	.	.	G	3₁₀ helix	trans	-66.6	-33.2	-175.5	-59.6	0	0	0	0	114	T411 D465 G791 S795 L796 L797 P798	T411-S793 WeakPolarHBondContact CG2-OG 3.43Å; D465-S793 VanDerWaalsContact OD2-CB 3.22Å; D465-S793 WeakPolarHBondContact OD2-CB 3.42Å; D465-S793 PolarHBondContact OD2-N 3.34Å; D465-S793 PolarHBondContact OD2-OG 3.28Å; G791-S793 PolarHBondContact O-N 2.77Å; S793-S795 PolarHBondContact O-N 3Å; S793-S795 VanDerWaalsContact O-N 3.11Å; S793-L796 PolarHBondContact O-N 3.42Å; S793-L797 PolarHBondContact O-N 2.93Å; S793-P798 WeakPolarHBondContact O-CD 3.47Å
794	L	94	Very high	94.5	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.088	C	C	.	.	G	3₁₀ helix	trans	-57.3	-28.7	-177	-68	169	0	0	0	113.7	V725 W750 V770 G791	V725-L794 HydrophobicContact CB-CD2 4.15Å; V725-L794 HydrophobicContact CG1-CD2 3.61Å; V725-L794 HydrophobicContact CG2-CD2 3.52Å; W750-L794 HydrophobicContact CB-CD1 4.11Å; W750-L794 HydrophobicContact CB-CD2 4.23Å; W750-L794 HydrophobicContact CD2-CD1 3.97Å; W750-L794 HydrophobicContact CD2-CD2 4.17Å; W750-L794 HydrophobicContact CD2-CG 4.05Å; W750-L794 HydrophobicContact CE3-CD1 4.04Å; W750-L794 HydrophobicContact CE3-CD2 3.51Å; W750-L794 HydrophobicContact CE3-CG 3.59Å; W750-L794 HydrophobicContact CG-CD1 4.03Å; W750-L794 HydrophobicContact CZ3-CD2 4.23Å; W750-L794 HydrophobicContact CZ3-CG 4.07Å; V770-L794 HydrophobicContact CG1-CB 3.49Å; V770-L794 VanDerWaalsContact CG1-CB 3.49Å; V770-L794 HydrophobicContact CG1-CD1 4.19Å; V770-L794 HydrophobicContact CG1-CG 4.47Å; G791-L794 PolarHBondContact O-N 3.22Å
795	S	93.1	Very high	94.5	Very high	1 Å²	1	16.8 Å²	16.8	1%	0.007	8%	0.084	C	C	.	.	G	3₁₀ helix	trans	-107.4	21.7	-179.6	58	0	0	0	0	112.8	R407 L784 R792 S793	R407-S795 PolarHBondContact NH1-O 3.02Å; R407-S795 PolarHBondContact NH2-OG 2.87Å; L784-S795 VanDerWaalsContact CD1-CB 3.5Å; L784-S795 VanDerWaalsContact CD1-OG 3.24Å; L784-S795 WeakPolarHBondContact CD1-OG 3.1Å; R792-S795 PolarHBondContact O-OG 2.98Å; S793-S795 PolarHBondContact O-N 3Å; S793-S795 VanDerWaalsContact O-N 3.11Å
796	L	92.3	Very high	94.5	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-144.5	-46.4	-168.6	-176.3	63.6	0	0	0	113.9	R407 M408 T411 S793	R407-L796 HydrophobicContact CB-CD1 3.79Å; R407-L796 HydrophobicContact CB-CD2 3.82Å; R407-L796 HydrophobicContact CB-CG 4.47Å; M408-L796 HydrophobicContact CE-CD1 4.4Å; M408-L796 HydrophobicContact CE-CG 4.19Å; M408-L796 HydrophobicContact CG-CD1 4.11Å; M408-L796 HydrophobicContact CG-CD2 3.75Å; M408-L796 HydrophobicContact CG-CG 3.95Å; T411-L796 HydrophobicContact CG2-CD2 4.25Å; S793-L796 PolarHBondContact O-N 3.42Å
797	L	91.8	Very high	94.6	Very high	4 Å²	4	18.6 Å²	18.6	2%	0.021	9%	0.089	C	C	.	.	S	Bend	trans	-83.2	-41.1	-177.3	-49.5	-173.4	0	0	0	113.5	R374 M408 L412 I759 A762 E763 S793	R374-L797 VanDerWaalsContact CZ-O 3.28Å; R374-L797 PolarHBondContact NH1-O 2.76Å; R374-L797 PolarHBondContact NH2-O 2.77Å; M408-L797 HydrophobicContact CE-CD2 3.93Å; L412-L797 HydrophobicContact CD1-CD2 3.99Å; L412-L797 HydrophobicContact CD2-CD1 4.18Å; L412-L797 HydrophobicContact CD2-CD2 4.36Å; I759-L797 HydrophobicContact CG2-CD1 3.91Å; A762-L797 HydrophobicContact CB-CD1 4.32Å; A762-L797 WeakPolarHBondContact O-CB 3.44Å; E763-L797 HydrophobicContact CB-CD1 4.29Å; S793-L797 PolarHBondContact O-N 2.93Å
798	P	91.8	Very high	94.7	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.096	C	C	.	.	S	Bend	trans	-59.6	155.2	179.6	-27.6	37.1	0	0	0	113.8	V725 A762 A765 S793 Y800	V725-P798 HydrophobicContact CG1-CG 4.06Å; A762-P798 WeakPolarHBondContact O-CD 3.3Å; A762-P798 WeakPolarHBondContact O-CG 3.47Å; A765-P798 HydrophobicContact CB-CB 4.48Å; A765-P798 HydrophobicContact CB-CG 4.22Å; A765-P798 VanDerWaalsContact O-CA 3.27Å; A765-P798 WeakPolarHBondContact O-CA 3.46Å; A765-P798 WeakPolarHBondContact O-CB 3.48Å; S793-P798 WeakPolarHBondContact O-CD 3.47Å; P798-Y800 VanDerWaalsContact C-N 3.3Å; P798-Y800 PolarHBondContact O-N 2.76Å
799	E	88.4	Confident	94.9	Very high	69 Å²	69	20.2 Å²	20.2	32%	0.322	10%	0.096	S	C	.	.	S	Bend	trans	-63.4	-39	177.9	-160.2	-170.3	157.3	0	0	111.5	K766 P858 V859	K766-E799 HydrophobicContact CG-CB 4.44Å; K766-E799 PolarHBondContact O-N 3.21Å; E799-P858 CarbonylContact O-C 3.6Å; E799-P858 VanDerWaalsContact O-CA 3.31Å; E799-P858 WeakPolarHBondContact O-CA 3.48Å; E799-V859 HydrophobicContact CG-CB 4.45Å; E799-V859 HydrophobicContact CG-CG2 3.79Å; E799-V859 PolarHBondContact O-N 3.42Å
800	Y	92.3	Very high	95	Very high	41 Å²	41	16.3 Å²	16.3	16%	0.161	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	151.6	179.4	-47.8	-51.2	0	0	0	111.5	L719 K766 V767 G768 P798 V859 K860	L719-Y800 HydrophobicContact CB-CD2 3.9Å; L719-Y800 HydrophobicContact CD2-CD2 4.11Å; L719-Y800 HydrophobicContact CD2-CG 4.03Å; L719-Y800 WeakPolarHBondContact O-CD2 3.3Å; L719-Y800 WeakPolarHBondContact O-CE2 3.48Å; K766-Y800 HydrophobicContact CG-CD2 4.1Å; K766-Y800 HydrophobicContact CG-CE2 4.09Å; K766-Y800 PolarHBondContact O-N 3.01Å; V767-Y800 WeakPolarHBondContact CA-O 3.41Å; V767-Y800 HydrophobicContact CG2-CD2 4.48Å; G768-Y800 PolarHBondContact N-O 3.2Å; P798-Y800 VanDerWaalsContact C-N 3.3Å; P798-Y800 PolarHBondContact O-N 2.76Å; Y800-V859 HydrophobicContact CD1-CB 4.31Å; Y800-V859 HydrophobicContact CE1-CB 4.02Å; Y800-K860 WeakPolarHBondContact CA-O 3.45Å; Y800-K860 HydrophobicContact CD1-CB 3.54Å; Y800-K860 HydrophobicContact CE1-CB 4.07Å; Y800-K860 HydrophobicContact CG-CB 4.42Å
801	S	94	Very high	95.2	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	127	175.6	-59.8	0	0	0	0	111.8	G768 F803 K860 A861 V862	G768-S801 CarbonylContact O-C 3.5Å; G768-S801 WeakPolarHBondContact O-CA 3.43Å; S801-F803 VanDerWaalsContact CB-CE2 3.41Å; S801-K860 PolarHBondContact N-O 2.92Å; S801-A861 WeakPolarHBondContact O-CA 3.18Å; S801-V862 PolarHBondContact O-N 3.38Å
802	L	96.1	Very high	95.3	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	111.7	171.9	175.5	60.6	0	0	0	108.5	A712 L715 V767 G768 V769 V770 I804 V862 L864	A712-L802 HydrophobicContact CB-CD2 4.41Å; L715-L802 HydrophobicContact CB-CD1 4.4Å; L715-L802 HydrophobicContact CB-CD2 4.29Å; L715-L802 HydrophobicContact CD1-CD1 3.89Å; V767-L802 HydrophobicContact CG1-CB 4.25Å; G768-L802 PolarHBondContact O-N 2.69Å; V769-L802 WeakPolarHBondContact CA-O 3.49Å; V769-L802 HydrophobicContact CG1-CD2 4.32Å; V769-L802 HydrophobicContact CG1-CG 4.47Å; V769-L802 HydrophobicContact CG2-CB 4.3Å; V769-L802 HydrophobicContact CG2-CD2 4.25Å; V770-L802 PolarHBondContact N-O 3.27Å; L802-I804 HydrophobicContact CD1-CD1 4.36Å; L802-I804 HydrophobicContact CD2-CD1 4.28Å; L802-I804 HydrophobicContact CG-CD1 3.97Å; L802-V862 WeakPolarHBondContact CA-O 3.38Å; L802-V862 HydrophobicContact CD1-CB 3.99Å; L802-V862 HydrophobicContact CD1-CG1 3.77Å; L802-L864 HydrophobicContact CD1-CB 4.12Å
803	F	97.4	Very high	95.4	Very high	1 Å²	1	14 Å²	14	0%	0.004	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	126	178.4	-54.2	-94.7	0	0	0	109.6	V770 V782 L784 S801 I838 A861 V862 Y863 L864	V770-F803 HydrophobicContact CG2-CD1 3.4Å; V770-F803 VanDerWaalsContact CG2-CD1 3.4Å; V770-F803 HydrophobicContact CG2-CE1 3.73Å; V770-F803 HydrophobicContact CG2-CG 4.17Å; V770-F803 CarbonylContact O-C 3.58Å; V770-F803 WeakPolarHBondContact O-CA 3.44Å; V782-F803 HydrophobicContact CG1-CB 4.42Å; V782-F803 HydrophobicContact CG2-CB 4.45Å; V782-F803 HydrophobicContact CG2-CD1 3.65Å; V782-F803 HydrophobicContact CG2-CD2 4.38Å; V782-F803 HydrophobicContact CG2-CE1 3.88Å; V782-F803 HydrophobicContact CG2-CG 3.92Å; V782-F803 HydrophobicContact CG2-CZ 4.34Å; L784-F803 HydrophobicContact CD1-CE1 4.18Å; L784-F803 HydrophobicContact CD2-CD1 4.2Å; L784-F803 HydrophobicContact CD2-CE1 4.47Å; S801-F803 VanDerWaalsContact CB-CE2 3.41Å; F803-I838 HydrophobicContact CE1-CD1 3.96Å; F803-I838 HydrophobicContact CZ-CD1 4.11Å; F803-I838 HydrophobicContact CZ-CG2 4.37Å; F803-A861 HydrophobicContact CD2-CB 4.47Å; F803-A861 HydrophobicContact CE2-CB 3.92Å; F803-V862 PolarHBondContact N-O 3.28Å; F803-Y863 HydrophobicContact CB-CD1 3.87Å; F803-Y863 HydrophobicContact CB-CE1 4.36Å; F803-Y863 AromaticContact CD2-CD1 3.69Å; F803-Y863 HydrophobicContact CD2-CD1 3.69Å; F803-Y863 AromaticContact CD2-CE1 3.65Å; F803-Y863 HydrophobicContact CD2-CE1 3.65Å; F803-Y863 HydrophobicContact CE2-CE1 4.2Å; F803-Y863 HydrophobicContact CG-CD1 4.08Å; F803-Y863 HydrophobicContact CG-CE1 4.15Å; F803-Y863 WeakPolarHBondContact O-CA 3.21Å; F803-L864 PolarHBondContact O-N 3.07Å
804	I	98.1	Very high	95.5	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	129.5	173.8	-47.6	-53.3	0	0	0	108.2	L732 L735 I737 V769 V770 Y771 A772 L802 L864 I866	L732-I804 HydrophobicContact CD2-CB 3.87Å; L732-I804 HydrophobicContact CD2-CG1 3.48Å; L732-I804 VanDerWaalsContact CD2-CG1 3.48Å; L732-I804 HydrophobicContact CD2-CG2 4.21Å; L735-I804 HydrophobicContact CD1-CG2 3.94Å; I737-I804 HydrophobicContact CD1-CD1 4.17Å; I737-I804 HydrophobicContact CD1-CG1 4.03Å; I737-I804 HydrophobicContact CD1-CG2 3.94Å; V769-I804 HydrophobicContact CG1-CD1 4.43Å; V769-I804 HydrophobicContact CG1-CG1 4.25Å; V770-I804 PolarHBondContact O-N 3.49Å; Y771-I804 HydrophobicContact CD2-CB 4.21Å; Y771-I804 HydrophobicContact CD2-CG2 4.22Å; Y771-I804 HydrophobicContact CE2-CG2 4.14Å; A772-I804 PolarHBondContact N-O 2.99Å; L802-I804 HydrophobicContact CD1-CD1 4.36Å; L802-I804 HydrophobicContact CD2-CD1 4.28Å; L802-I804 HydrophobicContact CG-CD1 3.97Å; I804-L864 WeakPolarHBondContact CA-O 3.24Å; I804-L864 HydrophobicContact CD1-CB 3.83Å; I804-L864 HydrophobicContact CD1-CD2 4.06Å; I804-L864 HydrophobicContact CD1-CG 4.45Å; I804-I866 HydrophobicContact CG2-CD1 4.1Å; I804-I866 HydrophobicContact CG2-CG1 3.89Å
805	L	97.9	Very high	95.6	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	130.3	-171.4	177.1	68.1	0	0	0	111.3	F688 A772 Y774 V782 T809 I810 L864 I865 I866	F688-L805 HydrophobicContact CE1-CD2 3.79Å; F688-L805 HydrophobicContact CZ-CD2 3.71Å; A772-L805 HydrophobicContact CB-CB 4.42Å; A772-L805 HydrophobicContact CB-CD1 3.93Å; Y774-L805 VanDerWaalsContact C-CD1 3.47Å; V782-L805 HydrophobicContact CG1-CD2 4.27Å; L805-T809 VanDerWaalsContact CD1-OG1 3.25Å; L805-T809 WeakPolarHBondContact CD1-OG1 3.39Å; L805-I810 HydrophobicContact CD2-CD1 4.37Å; L805-I810 HydrophobicContact CD2-CG1 4.03Å; L805-L864 PolarHBondContact N-O 3.32Å; L805-I865 CarbonylContact O-C 3.58Å; L805-I865 VanDerWaalsContact O-CA 3.28Å; L805-I865 WeakPolarHBondContact O-CA 3.31Å; L805-I866 PolarHBondContact O-N 3.27Å
806	R	97.9	Very high	95.9	Very high	60 Å²	60	15.2 Å²	15.2	23%	0.226	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	132.8	171	-87.2	173.5	179.3	-70	-6.9	111.7	E705 Y771 S808 T809 I866 D868	E705-R806 IonicContact OE1-CZ 2.94Å; E705-R806 IonicContact OE1-NH1 2.68Å; E705-R806 PolarHBondContact OE1-NH1 2.82Å; E705-R806 IonicContact OE1-NH2 3.3Å; E705-R806 PolarHBondContact OE1-NH2 3.07Å; Y771-R806 VanDerWaalsContact OH-CD 3.25Å; Y771-R806 WeakPolarHBondContact OH-CD 3.33Å; Y771-R806 VanDerWaalsContact OH-CG 3.31Å; Y771-R806 WeakPolarHBondContact OH-CG 3.02Å; Y771-R806 PolarHBondContact OH-NE 2.91Å; R806-S808 PolarHBondContact O-N 3.18Å; R806-T809 HydrophobicContact CB-CG2 3.86Å; R806-T809 PolarHBondContact O-N 2.94Å; R806-T809 PolarHBondContact O-OG1 3.42Å; R806-I866 HydrophobicContact CG-CB 4.37Å; R806-D868 WeakPolarHBondContact CB-OD2 3.45Å; R806-D868 VanDerWaalsContact CD-OD2 3.24Å; R806-D868 WeakPolarHBondContact CD-OD2 3.22Å; R806-D868 VanDerWaalsContact CG-OD2 3.24Å; R806-D868 WeakPolarHBondContact CG-OD2 3.31Å; R806-D868 IonicContact CZ-OD2 3.93Å; R806-D868 IonicContact NE-OD2 3.49Å; R806-D868 IonicContact NH1-OD2 3.54Å; R806-D868 PolarHBondContact NH1-OD2 2.75Å
807	K	98.1	Very high	96.1	Very high	8 Å²	8	15.2 Å²	15.2	4%	0.035	8%	0.077	C	C	.	.	G	3₁₀ helix	trans	-55.2	-40.2	176	177.4	-167.9	178.5	-171.8	0	111.6	Q681 C685 T809 I810 I865 I866 E867 D868 C869	Q681-K807 PolarHBondContact NE2-O 3.02Å; C685-K807 HydrophobicContact CB-CG 4.05Å; K807-T809 PolarHBondContact O-N 3.04Å; K807-T809 VanDerWaalsContact O-N 3.17Å; K807-I810 WeakPolarHBondContact O-CG1 3.42Å; K807-I810 PolarHBondContact O-N 3.35Å; K807-I810 VanDerWaalsContact O-N 3.15Å; K807-I865 HydrophobicContact CB-CG2 4.1Å; K807-I866 VanDerWaalsContact CB-O 3.29Å; K807-I866 WeakPolarHBondContact CB-O 3.49Å; K807-I866 PolarHBondContact N-O 2.92Å; K807-E867 WeakPolarHBondContact CD-OE1 3.17Å; K807-E867 WeakPolarHBondContact CD-OE2 3.27Å; K807-E867 WeakPolarHBondContact CE-OE1 3.28Å; K807-E867 IonicContact NZ-OE1 2.76Å; K807-E867 PolarHBondContact NZ-OE1 3.38Å; K807-E867 IonicContact NZ-OE2 2.61Å; K807-E867 PolarHBondContact NZ-OE2 2.98Å; K807-D868 PolarHBondContact N-OD1 3.36Å; K807-C869 WeakPolarHBondContact CE-O 3.42Å; K807-C869 PolarHBondContact NZ-O 3.48Å
808	S	97.5	Very high	96.4	Very high	53 Å²	53	15 Å²	15	37%	0.371	8%	0.076	S	C	.	.	G	3₁₀ helix	trans	-56.3	-26.3	175	63.7	0	0	0	0	114	Q681 R806 D868	Q681-S808 PolarHBondContact NE2-O 3.24Å; R806-S808 PolarHBondContact O-N 3.18Å; S808-D868 WeakPolarHBondContact CB-OD1 3.49Å; S808-D868 WeakPolarHBondContact CB-OD2 3.46Å; S808-D868 PolarHBondContact N-OD1 3.2Å; S808-D868 PolarHBondContact OG-OD1 3.49Å; S808-D868 PolarHBondContact OG-OD2 3.01Å
809	T	97.7	Very high	96.6	Very high	28 Å²	28	19.9 Å²	19.9	17%	0.172	10%	0.099	C	C	.	.	G	3₁₀ helix	trans	-90.7	3.1	-178.9	70	0	0	0	0	114.5	E773 Y774 G775 L805 R806 K807 L811	E773-T809 WeakPolarHBondContact O-CB 3.45Å; Y774-T809 WeakPolarHBondContact CA-O 3.38Å; Y774-T809 WeakPolarHBondContact CD1-O 3.49Å; G775-T809 PolarHBondContact N-O 3.26Å; L805-T809 VanDerWaalsContact CD1-OG1 3.25Å; L805-T809 WeakPolarHBondContact CD1-OG1 3.39Å; R806-T809 HydrophobicContact CB-CG2 3.86Å; R806-T809 PolarHBondContact O-N 2.94Å; R806-T809 PolarHBondContact O-OG1 3.42Å; K807-T809 PolarHBondContact O-N 3.04Å; K807-T809 VanDerWaalsContact O-N 3.17Å; T809-L811 PolarHBondContact O-N 2.88Å; T809-L811 VanDerWaalsContact O-N 3.17Å
810	I	98.5	Very high	97	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	106.1	177	-58.7	175.3	0	0	0	109.8	Q681 R684 C685 F688 G775 T777 L805 K807 I865	Q681-I810 PolarHBondContact NE2-O 2.87Å; R684-I810 HydrophobicContact CB-CG2 4.27Å; R684-I810 PolarHBondContact NH1-O 3.41Å; C685-I810 HydrophobicContact CB-CD1 3.97Å; F688-I810 HydrophobicContact CB-CG2 4.01Å; F688-I810 HydrophobicContact CD1-CD1 3.98Å; F688-I810 HydrophobicContact CD2-CG2 4.42Å; F688-I810 HydrophobicContact CE1-CD1 4.49Å; F688-I810 HydrophobicContact CG-CD1 4.34Å; F688-I810 HydrophobicContact CG-CG2 4.2Å; G775-I810 CarbonylContact O-C 3.39Å; T777-I810 WeakPolarHBondContact OG1-CG2 3.44Å; L805-I810 HydrophobicContact CD2-CD1 4.37Å; L805-I810 HydrophobicContact CD2-CG1 4.03Å; K807-I810 WeakPolarHBondContact O-CG1 3.42Å; K807-I810 PolarHBondContact O-N 3.35Å; K807-I810 VanDerWaalsContact O-N 3.15Å; I810-I865 HydrophobicContact CD1-CG2 4.31Å
811	L	98.1	Very high	97.2	Very high	18 Å²	18	18.5 Å²	18.5	9%	0.094	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	155.2	177.3	-54.9	-179.7	0	0	0	111.2	Y774 G775 L776 T777 T809 Q816 L817 K820	Y774-L811 HydrophobicContact CD1-CD1 3.68Å; Y774-L811 HydrophobicContact CD1-CD2 4.13Å; Y774-L811 HydrophobicContact CD1-CG 3.82Å; Y774-L811 HydrophobicContact CD2-CD1 4.27Å; Y774-L811 HydrophobicContact CE1-CD1 4.31Å; Y774-L811 HydrophobicContact CG-CD1 3.68Å; Y774-L811 HydrophobicContact CG-CG 4.12Å; G775-L811 PolarHBondContact O-N 3.37Å; L776-L811 WeakPolarHBondContact CA-O 3.24Å; L776-L811 HydrophobicContact CD2-CB 4.21Å; T777-L811 PolarHBondContact N-O 3.45Å; T777-L811 PolarHBondContact OG1-O 3.27Å; T809-L811 PolarHBondContact O-N 2.88Å; T809-L811 VanDerWaalsContact O-N 3.17Å; L811-Q816 HydrophobicContact CB-CB 4.47Å; L811-L817 HydrophobicContact CD1-CB 4.14Å; L811-K820 HydrophobicContact CD1-CD 4.35Å
812	P	97.3	Very high	97.3	Very high	9 Å²	9	21.6 Å²	21.6	6%	0.058	11%	0.107	C	C	.	.	S	Bend	trans	-59.8	-51	178.8	-17.2	26.9	0	0	0	113	L676 T677 T777 E778 Q816	L676-P812 HydrophobicContact CB-CB 3.86Å; T677-P812 HydrophobicContact CG2-CG 4.16Å; T777-P812 WeakPolarHBondContact CB-O 3.29Å; T777-P812 PolarHBondContact N-O 3.3Å; E778-P812 PolarHBondContact N-O 2.85Å; P812-Q816 HydrophobicContact CG-CG 4.14Å
813	R	96.2	Very high	97.3	Very high	1 Å²	1	26.4 Å²	26.4	0%	0.004	13%	0.129	C	C	.	.	S	Bend	trans	-162.5	-175.5	-179.1	58	-173	-55.8	-65.1	-19.5	112.2	D433 T437 A672 R675 E778 A815 Q816	D433-R813 VanDerWaalsContact CG-NH1 3.35Å; D433-R813 IonicContact OD1-CZ 2.82Å; D433-R813 IonicContact OD1-NH1 3.67Å; D433-R813 PolarHBondContact OD1-NH1 3.3Å; D433-R813 IonicContact OD1-NH2 2.73Å; D433-R813 PolarHBondContact OD1-NH2 3.28Å; D433-R813 IonicContact OD2-CZ 3.3Å; D433-R813 IonicContact OD2-NH1 3.21Å; D433-R813 PolarHBondContact OD2-NH1 2.92Å; D433-R813 IonicContact OD2-NH2 2.81Å; T437-R813 PolarHBondContact OG1-NH2 2.88Å; A672-R813 WeakPolarHBondContact O-CD 3.46Å; A672-R813 PolarHBondContact O-NH1 3.32Å; R675-R813 VanDerWaalsContact O-CD 3.24Å; R675-R813 WeakPolarHBondContact O-CD 3.29Å; E778-R813 HydrophobicContact CB-CB 3.8Å; E778-R813 IonicContact OE2-CZ 3Å; E778-R813 IonicContact OE2-NE 2.62Å; E778-R813 PolarHBondContact OE2-NE 3.47Å; E778-R813 IonicContact OE2-NH2 3.42Å; E778-R813 PolarHBondContact OE2-NH2 3.14Å; E778-R813 VanDerWaalsContact OE2-NH2 3.08Å; R813-A815 HydrophobicContact CG-CB 4.34Å; R813-A815 PolarHBondContact O-N 3Å; R813-Q816 VanDerWaalsContact CG-OE1 3.3Å; R813-Q816 PolarHBondContact O-N 2.63Å; R813-Q816 PolarHBondContact O-OE1 3.04Å; R813-Q816 VanDerWaalsContact O-OE1 3.11Å
814	V	97.1	Very high	97.2	Very high	6 Å²	6	29.7 Å²	29.7	4%	0.036	14%	0.144	C	C	.	.	H	α-helix	trans	-61.1	-29.1	-175.2	-174.2	0	0	0	0	112.4	D433 L448 W454 L776 Q816 L817 A818 I837	D433-V814 HydrophobicContact CB-CB 4.18Å; D433-V814 HydrophobicContact CB-CG1 4.02Å; D433-V814 WeakPolarHBondContact OD1-CB 3.24Å; L448-V814 HydrophobicContact CD2-CG2 4.48Å; W454-V814 HydrophobicContact CH2-CG1 3.63Å; W454-V814 HydrophobicContact CZ2-CG1 4.08Å; L776-V814 HydrophobicContact CD1-CG2 3.85Å; V814-Q816 VanDerWaalsContact C-N 3.34Å; V814-Q816 PolarHBondContact O-N 2.84Å; V814-L817 WeakPolarHBondContact O-CB 3.16Å; V814-L817 PolarHBondContact O-N 3.48Å; V814-L817 VanDerWaalsContact O-N 3.08Å; V814-A818 WeakPolarHBondContact O-CB 3.5Å; V814-A818 PolarHBondContact O-N 2.67Å; V814-I837 HydrophobicContact CG1-CD1 4.02Å; V814-I837 HydrophobicContact CG2-CD1 4.12Å
815	A	96.9	Very high	97.1	Very high	2 Å²	2	30.7 Å²	30.7	2%	0.017	15%	0.152	C	C	.	.	H	α-helix	trans	-55.1	-42.8	175.1	0	0	0	0	0	113.7	A672 R813 L817 A818 E819	A672-A815 WeakPolarHBondContact O-CB 3.46Å; R813-A815 HydrophobicContact CG-CB 4.34Å; R813-A815 PolarHBondContact O-N 3Å; A815-L817 VanDerWaalsContact C-N 3.31Å; A815-L817 PolarHBondContact O-N 2.91Å; A815-A818 WeakPolarHBondContact O-CB 3.47Å; A815-A818 PolarHBondContact O-N 3.27Å; A815-E819 PolarHBondContact O-N 3.36Å
816	Q	97.5	Very high	96.9	Very high	19 Å²	19	37 Å²	37	9%	0.089	18%	0.181	C	C	.	.	H	α-helix	trans	-78.2	-16.6	179.3	-61.6	79.1	24.1	0	0	113	N673 L811 P812 R813 V814 K820	N673-Q816 PolarHBondContact O-NE2 3.42Å; L811-Q816 HydrophobicContact CB-CB 4.47Å; P812-Q816 HydrophobicContact CG-CG 4.14Å; R813-Q816 VanDerWaalsContact CG-OE1 3.3Å; R813-Q816 PolarHBondContact O-N 2.63Å; R813-Q816 PolarHBondContact O-OE1 3.04Å; R813-Q816 VanDerWaalsContact O-OE1 3.11Å; V814-Q816 VanDerWaalsContact C-N 3.34Å; V814-Q816 PolarHBondContact O-N 2.84Å; Q816-K820 WeakPolarHBondContact O-CG 3.41Å
817	L	97.7	Very high	96.8	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-73.7	-47.3	163.9	172.2	67.4	0	0	0	110	W454 Y774 L776 V783 F785 L811 V814 A815 E819 K820 L821 I837	W454-L817 HydrophobicContact CH2-CD2 4.31Å; W454-L817 HydrophobicContact CZ3-CD2 4.07Å; Y774-L817 HydrophobicContact CD2-CD1 3.68Å; Y774-L817 HydrophobicContact CE2-CD1 3.93Å; L776-L817 HydrophobicContact CD2-CB 4.5Å; V783-L817 HydrophobicContact CG1-CD1 4.08Å; V783-L817 HydrophobicContact CG1-CD2 3.92Å; V783-L817 HydrophobicContact CG2-CD2 3.95Å; F785-L817 HydrophobicContact CE1-CD1 4.42Å; F785-L817 HydrophobicContact CZ-CD1 4.25Å; L811-L817 HydrophobicContact CD1-CB 4.14Å; V814-L817 WeakPolarHBondContact O-CB 3.16Å; V814-L817 PolarHBondContact O-N 3.48Å; V814-L817 VanDerWaalsContact O-N 3.08Å; A815-L817 VanDerWaalsContact C-N 3.31Å; A815-L817 PolarHBondContact O-N 2.91Å; L817-E819 VanDerWaalsContact C-N 3.32Å; L817-E819 PolarHBondContact O-N 3.05Å; L817-K820 PolarHBondContact O-N 3.09Å; L817-K820 VanDerWaalsContact O-N 3.14Å; L817-L821 HydrophobicContact CD1-CD1 4.19Å; L817-L821 HydrophobicContact CD1-CG 4.28Å; L817-L821 HydrophobicContact CG-CD1 3.96Å; L817-L821 HydrophobicContact CG-CG 4.44Å; L817-L821 WeakPolarHBondContact O-CG 3.43Å; L817-L821 PolarHBondContact O-N 3.43Å; L817-I837 HydrophobicContact CD2-CD1 3.91Å; L817-I837 HydrophobicContact CD2-CG1 4.17Å
818	A	97.3	Very high	96.5	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.008	23%	0.23	C	C	.	.	H	α-helix	trans	-59.6	-41.1	179.1	0	0	0	0	0	112.1	F429 A430 V814 A815 K820 L821 H822	F429-A818 VanDerWaalsContact C-CB 3.48Å; F429-A818 HydrophobicContact CB-CB 3.63Å; A430-A818 HydrophobicContact CB-CB 4.41Å; V814-A818 WeakPolarHBondContact O-CB 3.5Å; V814-A818 PolarHBondContact O-N 2.67Å; A815-A818 WeakPolarHBondContact O-CB 3.47Å; A815-A818 PolarHBondContact O-N 3.27Å; A818-K820 PolarHBondContact O-N 3.42Å; A818-L821 PolarHBondContact O-N 2.77Å; A818-H822 VanDerWaalsContact O-CB 3.31Å; A818-H822 WeakPolarHBondContact O-CB 3.13Å; A818-H822 PolarHBondContact O-N 2.82Å
819	E	96	Very high	96.4	Very high	101 Å²	101	42.2 Å²	42.2	47%	0.472	23%	0.233	S	C	.	.	H	α-helix	trans	-57.6	-45.6	173.4	-169.8	-169.4	169.7	0	0	111.8	A815 L817 H822 Q823	A815-E819 PolarHBondContact O-N 3.36Å; L817-E819 VanDerWaalsContact C-N 3.32Å; L817-E819 PolarHBondContact O-N 3.05Å; E819-H822 PolarHBondContact O-N 2.84Å; E819-Q823 WeakPolarHBondContact O-CB 3.49Å; E819-Q823 VanDerWaalsContact O-CG 3.25Å; E819-Q823 WeakPolarHBondContact O-CG 3.25Å; E819-Q823 PolarHBondContact O-N 2.85Å; E819-Q823 PolarHBondContact OE1-NE2 2.79Å
820	K	96.8	Very high	96.1	Very high	78 Å²	78	45 Å²	45	34%	0.339	24%	0.24	S	C	.	.	H	α-helix	trans	-65.7	-38.6	177	-70.4	176.9	-175.3	-57.7	0	112.6	Y774 L811 Q816 L817 A818 K824	Y774-K820 HydrophobicContact CE1-CD 4.08Å; L811-K820 HydrophobicContact CD1-CD 4.35Å; Q816-K820 WeakPolarHBondContact O-CG 3.41Å; L817-K820 PolarHBondContact O-N 3.09Å; L817-K820 VanDerWaalsContact O-N 3.14Å; A818-K820 PolarHBondContact O-N 3.42Å; K820-K824 WeakPolarHBondContact O-CG 3.24Å; K820-K824 PolarHBondContact O-N 2.78Å; K820-K824 VanDerWaalsContact O-N 3.11Å
821	L	97.3	Very high	96	Very high	3 Å²	3	45.1 Å²	45.1	2%	0.016	24%	0.241	C	C	.	.	H	α-helix	trans	-69.4	-38.1	176.3	-65.6	172.3	0	0	0	111.7	F429 W454 F785 L817 A818 K824 A825 M831 I835	F429-L821 HydrophobicContact CD2-CB 3.72Å; F429-L821 HydrophobicContact CD2-CD1 3.89Å; F429-L821 HydrophobicContact CD2-CG 4.45Å; F429-L821 HydrophobicContact CE2-CB 4.14Å; F429-L821 HydrophobicContact CE2-CD1 4.09Å; F429-L821 HydrophobicContact CG-CD1 4.15Å; W454-L821 HydrophobicContact CE3-CD1 4.09Å; W454-L821 HydrophobicContact CZ3-CD1 3.65Å; F785-L821 HydrophobicContact CE1-CD2 4.27Å; F785-L821 HydrophobicContact CZ-CD2 3.9Å; L817-L821 HydrophobicContact CD1-CD1 4.19Å; L817-L821 HydrophobicContact CD1-CG 4.28Å; L817-L821 HydrophobicContact CG-CD1 3.96Å; L817-L821 HydrophobicContact CG-CG 4.44Å; L817-L821 WeakPolarHBondContact O-CG 3.43Å; L817-L821 PolarHBondContact O-N 3.43Å; A818-L821 PolarHBondContact O-N 2.77Å; L821-K824 WeakPolarHBondContact O-CB 3.35Å; L821-K824 PolarHBondContact O-N 3.14Å; L821-A825 WeakPolarHBondContact O-CB 3.36Å; L821-A825 PolarHBondContact O-N 3.2Å; L821-M831 HydrophobicContact CB-SD 4.03Å; L821-M831 HydrophobicContact CD2-SD 3.82Å; L821-M831 HydrophobicContact CG-SD 4.48Å; L821-I835 HydrophobicContact CD1-CD1 3.85Å; L821-I835 HydrophobicContact CD2-CD1 3.72Å; L821-I835 HydrophobicContact CG-CD1 4.46Å
822	H	95.2	Very high	95.9	Very high	66 Å²	66	45.5 Å²	45.5	31%	0.306	24%	0.244	S	C	.	.	H	α-helix	trans	-64.5	-45.8	173.5	-179.6	63.3	0	0	0	111.4	E393 A818 E819 K824 A825 Q826	E393-H822 VanDerWaalsContact CD-ND1 3.26Å; E393-H822 IonicContact OE1-CE1 3.48Å; E393-H822 PolarHBondContact OE1-CE1 3.34Å; E393-H822 IonicContact OE1-ND1 3.44Å; E393-H822 PolarHBondContact OE1-ND1 3.25Å; E393-H822 IonicContact OE2-CE1 2.85Å; E393-H822 IonicContact OE2-CG 2.75Å; E393-H822 IonicContact OE2-ND1 3.68Å; E393-H822 PolarHBondContact OE2-ND1 3.43Å; A818-H822 VanDerWaalsContact O-CB 3.31Å; A818-H822 WeakPolarHBondContact O-CB 3.13Å; A818-H822 PolarHBondContact O-N 2.82Å; E819-H822 PolarHBondContact O-N 2.84Å; H822-K824 VanDerWaalsContact C-N 3.28Å; H822-K824 PolarHBondContact O-N 2.78Å; H822-A825 PolarHBondContact O-N 3.15Å; H822-A825 VanDerWaalsContact O-N 3.09Å; H822-Q826 WeakPolarHBondContact O-CB 3.4Å; H822-Q826 VanDerWaalsContact O-CG 3.31Å; H822-Q826 WeakPolarHBondContact O-CG 3.45Å; H822-Q826 PolarHBondContact O-N 3.09Å
823	Q	96.9	Very high	95.8	Very high	101 Å²	101	45 Å²	45	47%	0.472	24%	0.241	S	C	.	.	H	α-helix	trans	-54.7	-42.8	173	-73.8	166.1	4.6	0	0	111.9	E819 A827	E819-Q823 WeakPolarHBondContact O-CB 3.49Å; E819-Q823 VanDerWaalsContact O-CG 3.25Å; E819-Q823 WeakPolarHBondContact O-CG 3.25Å; E819-Q823 PolarHBondContact O-N 2.85Å; E819-Q823 PolarHBondContact OE1-NE2 2.79Å; Q823-A827 WeakPolarHBondContact O-CB 3.28Å; Q823-A827 PolarHBondContact O-N 2.81Å
824	K	96.1	Very high	95.9	Very high	69 Å²	69	45 Å²	45	30%	0.3	24%	0.242	S	C	.	.	H	α-helix	trans	-64.7	-44.4	173.8	-75.4	-166.2	163.1	-67.7	0	113	K820 L821 H822 Q826 A827 G828 E829 M831	K820-K824 WeakPolarHBondContact O-CG 3.24Å; K820-K824 PolarHBondContact O-N 2.78Å; K820-K824 VanDerWaalsContact O-N 3.11Å; L821-K824 WeakPolarHBondContact O-CB 3.35Å; L821-K824 PolarHBondContact O-N 3.14Å; H822-K824 VanDerWaalsContact C-N 3.28Å; H822-K824 PolarHBondContact O-N 2.78Å; K824-Q826 PolarHBondContact O-N 2.87Å; K824-A827 CarbonylContact O-C 3.25Å; K824-A827 WeakPolarHBondContact O-CB 3.46Å; K824-A827 PolarHBondContact O-N 3.03Å; K824-G828 PolarHBondContact O-N 2.97Å; K824-E829 HydrophobicContact CB-CB 4.15Å; K824-E829 WeakPolarHBondContact CG-OE1 2.77Å; K824-E829 IonicContact NZ-OE1 2.74Å; K824-E829 PolarHBondContact NZ-OE1 3.48Å; K824-E829 IonicContact NZ-OE2 3.77Å; K824-E829 PolarHBondContact NZ-OE2 2.89Å; K824-E829 WeakPolarHBondContact O-CB 3.28Å; K824-E829 PolarHBondContact O-N 3.45Å; K824-M831 HydrophobicContact CB-CE 3.62Å
825	A	94.3	Very high	95.9	Very high	21 Å²	21	44.8 Å²	44.8	17%	0.174	24%	0.24	C	C	.	.	H	α-helix	trans	-63.3	-40.2	178.4	0	0	0	0	0	112.3	E393 T394 L821 H822 A827 G828 M831	E393-A825 HydrophobicContact CG-CB 3.94Å; T394-A825 HydrophobicContact CG2-CB 3.87Å; L821-A825 WeakPolarHBondContact O-CB 3.36Å; L821-A825 PolarHBondContact O-N 3.2Å; H822-A825 PolarHBondContact O-N 3.15Å; H822-A825 VanDerWaalsContact O-N 3.09Å; A825-A827 VanDerWaalsContact C-N 3.34Å; A825-G828 WeakPolarHBondContact O-CA 3.34Å; A825-G828 PolarHBondContact O-N 2.63Å; A825-M831 HydrophobicContact CB-CE 4.12Å
826	Q	93.8	Very high	95.9	Very high	133 Å²	133	44.9 Å²	44.9	62%	0.621	24%	0.24	S	C	*	.	H	α-helix	trans	-67.9	-30.7	174.5	-67.8	-65.7	-47.1	0	0	112.6	E393 H822 K824 G828	E393-Q826 PolarHBondContact OE1-NE2 2.88Å; H822-Q826 WeakPolarHBondContact O-CB 3.4Å; H822-Q826 VanDerWaalsContact O-CG 3.31Å; H822-Q826 WeakPolarHBondContact O-CG 3.45Å; H822-Q826 PolarHBondContact O-N 3.09Å; K824-Q826 PolarHBondContact O-N 2.87Å; Q826-G828 PolarHBondContact O-N 3.16Å
827	A	96.2	Very high	95.9	Very high	73 Å²	73	44 Å²	44	60%	0.603	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-1.8	168.9	0	0	0	0	0	113.8	Q823 K824 A825 E829	Q823-A827 WeakPolarHBondContact O-CB 3.28Å; Q823-A827 PolarHBondContact O-N 2.81Å; K824-A827 CarbonylContact O-C 3.25Å; K824-A827 WeakPolarHBondContact O-CB 3.46Å; K824-A827 PolarHBondContact O-N 3.03Å; A825-A827 VanDerWaalsContact C-N 3.34Å; A827-E829 VanDerWaalsContact C-N 3.31Å; A827-E829 HydrophobicContact CB-CG 4.44Å
828	G	92.6	Very high	95.7	Very high	66 Å²	66	44 Å²	44	68%	0.68	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	78.9	8.7	-178.1	0	0	0	0	0	114.6	K824 A825 Q826	K824-G828 PolarHBondContact O-N 2.97Å; A825-G828 WeakPolarHBondContact O-CA 3.34Å; A825-G828 PolarHBondContact O-N 2.63Å; Q826-G828 PolarHBondContact O-N 3.16Å
829	E	94.4	Very high	95.2	Very high	92 Å²	92	44.1 Å²	44.1	43%	0.43	24%	0.237	S	C	.	.	P	Polyproline II helix	trans	-69.6	136.3	176.2	-62.4	-170.8	-125.1	0	0	111.3	K824 A827 M831	K824-E829 HydrophobicContact CB-CB 4.15Å; K824-E829 WeakPolarHBondContact CG-OE1 2.77Å; K824-E829 IonicContact NZ-OE1 2.74Å; K824-E829 PolarHBondContact NZ-OE1 3.48Å; K824-E829 IonicContact NZ-OE2 3.77Å; K824-E829 PolarHBondContact NZ-OE2 2.89Å; K824-E829 WeakPolarHBondContact O-CB 3.28Å; K824-E829 PolarHBondContact O-N 3.45Å; A827-E829 VanDerWaalsContact C-N 3.31Å; A827-E829 HydrophobicContact CB-CG 4.44Å; E829-M831 WeakPolarHBondContact O-CE 3.4Å; E829-M831 PolarHBondContact O-N 3.06Å
830	R	92.3	Very high	94.6	Very high	85 Å²	85	39.3 Å²	39.3	32%	0.321	21%	0.214	S	C	.	.	P	Polyproline II helix	trans	-66.4	132.2	169	-165.3	-173.4	-174.4	-76.8	-2.6	109	N261 T456 E460	N261-R830 PolarHBondContact O-NH2 2.86Å; T456-R830 PolarHBondContact O-NH1 3.43Å; T456-R830 PolarHBondContact O-NH2 3.42Å; E460-R830 IonicContact OE1-NH1 3.62Å; E460-R830 IonicContact OE2-CZ 3.38Å; E460-R830 IonicContact OE2-NE 2.74Å; E460-R830 IonicContact OE2-NH1 2.68Å; E460-R830 PolarHBondContact OE2-NH1 2.93Å
831	M	96.6	Very high	93.9	Very high	4 Å²	4	36.1 Å²	36.1	2%	0.02	20%	0.201	C	C	.	.	P	Polyproline II helix	trans	-66.3	145.2	169.4	-61.9	-60.4	97.4	0	0	109.7	T394 F429 T456 L821 K824 A825 E829 S833	T394-M831 HydrophobicContact CG2-CG 3.67Å; T394-M831 HydrophobicContact CG2-SD 4.31Å; F429-M831 HydrophobicContact CE2-CG 4.13Å; F429-M831 HydrophobicContact CE2-SD 4.14Å; T456-M831 HydrophobicContact CG2-CB 3.97Å; T456-M831 WeakPolarHBondContact OG1-CB 3.31Å; L821-M831 HydrophobicContact CB-SD 4.03Å; L821-M831 HydrophobicContact CD2-SD 3.82Å; L821-M831 HydrophobicContact CG-SD 4.48Å; K824-M831 HydrophobicContact CB-CE 3.62Å; A825-M831 HydrophobicContact CB-CE 4.12Å; E829-M831 WeakPolarHBondContact O-CE 3.4Å; E829-M831 PolarHBondContact O-N 3.06Å; M831-S833 PolarHBondContact O-N 2.98Å
832	P	95.6	Very high	93.4	Very high	25 Å²	25	36 Å²	36	16%	0.162	20%	0.201	C	C	.	.	P	Polyproline II helix	trans	-49.1	139.8	172.2	-26.8	33.6	0	0	0	111.6	T456 F785 C834 I835	T456-P832 WeakPolarHBondContact CB-O 3.31Å; T456-P832 PolarHBondContact OG1-O 3.31Å; T456-P832 VanDerWaalsContact OG1-O 3.11Å; F785-P832 HydrophobicContact CB-CB 4.1Å; F785-P832 HydrophobicContact CB-CG 3.81Å; F785-P832 HydrophobicContact CD1-CG 4.27Å; F785-P832 HydrophobicContact CD2-CG 4.04Å; F785-P832 HydrophobicContact CG-CB 4.48Å; F785-P832 HydrophobicContact CG-CG 3.79Å; P832-C834 PolarHBondContact O-N 3.23Å; P832-I835 HydrophobicContact CB-CG1 4.26Å; P832-I835 HydrophobicContact CG-CG1 4.32Å
833	S	96.2	Very high	93	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.191	C	C	.	.	S	Bend	trans	-57.1	-19.9	-179.8	52.5	0	0	0	0	114.2	L455 T456 P458 E460 H463 S786 R792 M831	L455-S833 WeakPolarHBondContact CA-O 3.34Å; T456-S833 PolarHBondContact N-O 3.34Å; P458-S833 VanDerWaalsContact O-CB 3.22Å; P458-S833 WeakPolarHBondContact O-CB 3.44Å; E460-S833 WeakPolarHBondContact OE1-CA 3.49Å; E460-S833 WeakPolarHBondContact OE1-CB 3.48Å; E460-S833 PolarHBondContact OE1-N 3.07Å; E460-S833 PolarHBondContact OE1-OG 3.25Å; H463-S833 PolarHBondContact CE1-OG 2.9Å; H463-S833 PolarHBondContact ND1-OG 3.19Å; S786-S833 PolarHBondContact OG-OG 3.49Å; R792-S833 VanDerWaalsContact NH2-CB 3.28Å; R792-S833 PolarHBondContact NH2-O 2.88Å; R792-S833 PolarHBondContact NH2-OG 3.18Å; R792-S833 VanDerWaalsContact NH2-OG 3.08Å; M831-S833 PolarHBondContact O-N 2.98Å
834	C	97.6	Very high	92.5	Very high	1 Å²	1	29.1 Å²	29.1	1%	0.007	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	124.5	165.6	-172.2	0	0	0	0	111.9	W454 L455 S786 R792 P832 N836	W454-C834 WeakPolarHBondContact O-CA 3.44Å; L455-C834 HydrophobicContact CD2-CB 3.89Å; L455-C834 VanDerWaalsContact CD2-SG 3.56Å; S786-C834 PolarHBondContact N-O 3.06Å; S786-C834 PolarHBondContact OG-N 2.95Å; S786-C834 PolarHBondContact OG-O 3.48Å; R792-C834 HydrophobicContact CG-CB 4.22Å; P832-C834 PolarHBondContact O-N 3.23Å; C834-N836 PolarHBondContact SG-ND2 3.41Å
835	I	97.7	Very high	91.9	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	127.6	166.2	-58.4	171.2	0	0	0	107.2	T453 W454 V783 L784 F785 L821 P832	T453-I835 WeakPolarHBondContact CA-O 3.42Å; W454-I835 HydrophobicContact CB-CB 4.28Å; W454-I835 HydrophobicContact CE3-CB 4.42Å; W454-I835 HydrophobicContact CE3-CD1 4.42Å; W454-I835 HydrophobicContact CE3-CG2 4.05Å; W454-I835 PolarHBondContact N-O 2.9Å; W454-I835 PolarHBondContact O-N 2.81Å; V783-I835 HydrophobicContact CG1-CG2 4.15Å; L784-I835 WeakPolarHBondContact O-CA 3.24Å; F785-I835 HydrophobicContact CD1-CB 4.23Å; F785-I835 HydrophobicContact CD1-CD1 4.47Å; F785-I835 HydrophobicContact CD1-CG1 3.78Å; F785-I835 HydrophobicContact CD1-CG2 3.9Å; F785-I835 HydrophobicContact CE1-CB 4.41Å; F785-I835 HydrophobicContact CE1-CD1 4.19Å; F785-I835 HydrophobicContact CE1-CG1 3.96Å; F785-I835 HydrophobicContact CE1-CG2 3.76Å; L821-I835 HydrophobicContact CD1-CD1 3.85Å; L821-I835 HydrophobicContact CD2-CD1 3.72Å; L821-I835 HydrophobicContact CG-CD1 4.46Å; P832-I835 HydrophobicContact CB-CG1 4.26Å; P832-I835 HydrophobicContact CG-CG1 4.32Å
836	N	96.5	Very high	91.4	Very high	4 Å²	4	26.8 Å²	26.8	2%	0.021	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	125.1	174.5	-67	-78.1	0	0	0	110.6	R407 T453 V783 L784 C834 I838	R407-N836 WeakPolarHBondContact CD-OD1 3Å; R407-N836 PolarHBondContact NE-OD1 2.79Å; T453-N836 WeakPolarHBondContact CB-OD1 3.4Å; T453-N836 WeakPolarHBondContact CG2-OD1 3.46Å; T453-N836 PolarHBondContact OG1-OD1 2.79Å; V783-N836 CarbonylContact C-O 3.43Å; V783-N836 WeakPolarHBondContact CA-O 3.32Å; L784-N836 HydrophobicContact CB-CB 4.45Å; L784-N836 PolarHBondContact N-O 2.86Å; L784-N836 PolarHBondContact O-N 2.91Å; C834-N836 PolarHBondContact SG-ND2 3.41Å; N836-I838 HydrophobicContact CB-CD1 4.48Å; N836-I838 HydrophobicContact CB-CG1 4.17Å
837	I	96.5	Very high	91	Very high	1 Å²	1	20.6 Å²	20.6	1%	0.005	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	117.1	161.5	-49.9	174.2	0	0	0	106.9	L448 Y451 N452 W454 L776 V782 V783 V814 L817	L448-I837 HydrophobicContact CD2-CG2 3.9Å; Y451-I837 WeakPolarHBondContact CA-O 3.38Å; N452-I837 HydrophobicContact CB-CB 4.22Å; N452-I837 HydrophobicContact CB-CD1 4.47Å; N452-I837 PolarHBondContact N-O 2.9Å; N452-I837 PolarHBondContact O-N 3.02Å; W454-I837 HydrophobicContact CH2-CD1 3.8Å; W454-I837 HydrophobicContact CZ2-CD1 3.74Å; W454-I837 HydrophobicContact CZ3-CD1 4.38Å; L776-I837 HydrophobicContact CD1-CD1 4.32Å; L776-I837 HydrophobicContact CD1-CG2 3.5Å; V782-I837 WeakPolarHBondContact O-CA 3.36Å; V783-I837 HydrophobicContact CG2-CG1 4.42Å; V814-I837 HydrophobicContact CG1-CD1 4.02Å; V814-I837 HydrophobicContact CG2-CD1 4.12Å; L817-I837 HydrophobicContact CD2-CD1 3.91Å; L817-I837 HydrophobicContact CD2-CG1 4.17Å
838	I	94.1	Very high	90.2	Very high	1 Å²	1	20 Å²	20	1%	0.005	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	112.6	-179.4	-55	179.9	0	0	0	107	Y451 G781 V782 L784 F803 N836 G840	Y451-I838 HydrophobicContact CD1-CB 4.46Å; Y451-I838 HydrophobicContact CD1-CG1 4.01Å; Y451-I838 HydrophobicContact CD1-CG2 4.21Å; Y451-I838 HydrophobicContact CE1-CB 4.44Å; Y451-I838 HydrophobicContact CE1-CD1 4.44Å; Y451-I838 HydrophobicContact CE1-CG1 4.14Å; Y451-I838 HydrophobicContact CE1-CG2 3.76Å; G781-I838 CarbonylContact C-O 3.5Å; G781-I838 WeakPolarHBondContact CA-O 3.28Å; V782-I838 HydrophobicContact CG2-CB 4.13Å; V782-I838 PolarHBondContact N-O 3.21Å; V782-I838 PolarHBondContact O-N 3.16Å; L784-I838 HydrophobicContact CD1-CD1 3.92Å; L784-I838 HydrophobicContact CG-CD1 4.41Å; F803-I838 HydrophobicContact CE1-CD1 3.96Å; F803-I838 HydrophobicContact CZ-CD1 4.11Å; F803-I838 HydrophobicContact CZ-CG2 4.37Å; N836-I838 HydrophobicContact CB-CD1 4.48Å; N836-I838 HydrophobicContact CB-CG1 4.17Å; I838-G840 WeakPolarHBondContact CG2-O 3.06Å
839	S	87.4	Confident	89.6	Confident	2 Å²	2	18.6 Å²	18.6	1%	0.014	10%	0.096	C	C	.	.			trans	-90.3	-12.2	-178.4	63	0	0	0	0	113.9	T449 G450 M696	T449-S839 PolarHBondContact O-OG 2.88Å; G450-S839 VanDerWaalsContact CA-OG 3.24Å; G450-S839 WeakPolarHBondContact CA-OG 3.5Å; G450-S839 PolarHBondContact O-N 3.15Å; G450-S839 PolarHBondContact O-OG 2.94Å; M696-S839 VanDerWaalsContact CB-O 3.32Å; M696-S839 WeakPolarHBondContact CB-O 3.32Å; M696-S839 VanDerWaalsContact CE-O 3.27Å; M696-S839 WeakPolarHBondContact CE-O 3.43Å; M696-S839 WeakPolarHBondContact CE-OG 3.15Å; M696-S839 VanDerWaalsContact CG-O 3.27Å; M696-S839 WeakPolarHBondContact CG-O 3.29Å
840	G	82.2	Confident	89.1	Confident	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.09	C	C	.	.	S	Bend	trans	173	-164.2	178	0	0	0	0	0	112.2	I838	I838-G840 WeakPolarHBondContact CG2-O 3.06Å
841	P	82.8	Confident	88.7	Confident	11 Å²	11	18.1 Å²	18.1	7%	0.071	10%	0.097	C	C	.	.	S	Bend	trans	-68.6	158.1	175.7	30.5	-35.6	0	0	0	112.2	M696 S843 V853 P858 V859	M696-P841 WeakPolarHBondContact O-CD 3.46Å; P841-S843 PolarHBondContact O-N 3.2Å; P841-V853 HydrophobicContact CB-CG1 3.72Å; P841-V853 HydrophobicContact CG-CG1 3.75Å; P841-P858 WeakPolarHBondContact CB-O 3.32Å; P841-V859 WeakPolarHBondContact CB-O 3.37Å
842	S	86.3	Confident	88.1	Confident	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.098	C	C	.	.			trans	-55.8	133.2	176	167.7	0	0	0	0	110.4	E403 Y451 V853 G854 V855 H856 G857 P858	E403-S842 WeakPolarHBondContact O-CB 3.44Å; E403-S842 PolarHBondContact O-OG 2.94Å; Y451-S842 WeakPolarHBondContact OH-CA 3.22Å; Y451-S842 PolarHBondContact OH-N 2.92Å; S842-V853 CarbonylContact O-C 3.58Å; S842-V853 WeakPolarHBondContact O-CA 3.41Å; S842-V853 WeakPolarHBondContact O-CG1 3.27Å; S842-G854 PolarHBondContact O-N 3.01Å; S842-V855 WeakPolarHBondContact OG-CB 3.48Å; S842-V855 PolarHBondContact OG-N 3.01Å; S842-H856 PolarHBondContact OG-N 3.11Å; S842-G857 PolarHBondContact OG-N 3.05Å; S842-P858 PolarHBondContact N-O 3.38Å
843	S	87	Confident	87.5	Confident	14 Å²	14	19.3 Å²	19.3	10%	0.098	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	151.2	174.4	46.6	0	0	0	0	114.5	N402 P841 K851 V852	N402-S843 CarbonylContact C-O 3.41Å; N402-S843 VanDerWaalsContact C-O 3.3Å; N402-S843 WeakPolarHBondContact CB-O 3.46Å; N402-S843 PolarHBondContact O-N 3.09Å; P841-S843 PolarHBondContact O-N 3.2Å; S843-K851 VanDerWaalsContact CB-CE 3.48Å; S843-K851 VanDerWaalsContact OG-CE 3.22Å; S843-K851 WeakPolarHBondContact OG-CE 3.43Å; S843-V852 CarbonylContact C-O 3.56Å; S843-V852 WeakPolarHBondContact CA-O 3.32Å; S843-V852 WeakPolarHBondContact CB-O 3.41Å
844	T	86.1	Confident	86.6	Confident	10 Å²	10	19.3 Å²	19.3	6%	0.061	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	169	176	-172.6	0	0	0	0	110	L319 T366 E403 D846 K851 V852 V855	L319-T844 HydrophobicContact CD2-CG2 3.6Å; T366-T844 HydrophobicContact CG2-CG2 4.38Å; E403-T844 WeakPolarHBondContact OE1-CB 3.25Å; E403-T844 PolarHBondContact OE1-OG1 3.09Å; T844-D846 PolarHBondContact OG1-N 3.35Å; T844-K851 WeakPolarHBondContact O-CA 3.45Å; T844-V852 HydrophobicContact CG2-CB 3.79Å; T844-V852 HydrophobicContact CG2-CG2 4.46Å; T844-V852 PolarHBondContact N-O 3Å; T844-V852 PolarHBondContact O-N 2.83Å; T844-V852 VanDerWaalsContact O-N 3.15Å; T844-V855 HydrophobicContact CG2-CG2 3.73Å
845	A	84.2	Confident	85.7	Confident	30 Å²	30	19.3 Å²	19.3	25%	0.248	10%	0.104	C	C	.	.			trans	-143.6	22.7	161.9	0	0	0	0	0	112.3	I847 L849	A845-I847 VanDerWaalsContact C-N 3.3Å; A845-I847 PolarHBondContact O-N 3.05Å; A845-L849 HydrophobicContact CB-CD2 4.12Å; A845-L849 WeakPolarHBondContact O-CA 3.27Å; A845-L849 WeakPolarHBondContact O-CD2 3.5Å; A845-L849 PolarHBondContact O-N 3.07Å
846	D	84.1	Confident	84.9	Confident	11 Å²	11	19.3 Å²	19.3	6%	0.059	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-27.9	-172.6	-79.2	-24.2	0	0	0	114	G320 V336 P337 T844 E848	G320-D846 VanDerWaalsContact CA-OD2 3.26Å; G320-D846 WeakPolarHBondContact CA-OD2 3.19Å; G320-D846 PolarHBondContact N-OD2 2.73Å; V336-D846 WeakPolarHBondContact CA-OD1 3.5Å; V336-D846 VanDerWaalsContact CB-OD1 3.28Å; V336-D846 WeakPolarHBondContact CB-OD1 3.48Å; V336-D846 VanDerWaalsContact CG1-OD1 3.29Å; V336-D846 WeakPolarHBondContact CG1-OD1 3.32Å; P337-D846 WeakPolarHBondContact CD-OD1 3.43Å; T844-D846 PolarHBondContact OG1-N 3.35Å; D846-E848 PolarHBondContact O-N 3.41Å
847	I	84.3	Confident	84.2	Confident	2 Å²	2	19.1 Å²	19.1	1%	0.01	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.1	107	177.2	-51.5	-177.4	0	0	0	109.1	I323 R343 I346 P362 M365 A845 L849 I850	I323-I847 HydrophobicContact CD1-CD1 4.44Å; R343-I847 HydrophobicContact CB-CG2 3.84Å; I346-I847 HydrophobicContact CD1-CG1 4.05Å; I346-I847 HydrophobicContact CD1-CG2 4.28Å; I346-I847 HydrophobicContact CG2-CD1 4.34Å; P362-I847 HydrophobicContact CB-CB 4.07Å; P362-I847 HydrophobicContact CB-CD1 4.47Å; P362-I847 HydrophobicContact CB-CG2 4.06Å; P362-I847 HydrophobicContact CG-CB 4.32Å; P362-I847 HydrophobicContact CG-CG2 3.86Å; M365-I847 HydrophobicContact CB-CD1 4.3Å; M365-I847 HydrophobicContact CE-CD1 4.08Å; M365-I847 HydrophobicContact CE-CG2 4.24Å; A845-I847 VanDerWaalsContact C-N 3.3Å; A845-I847 PolarHBondContact O-N 3.05Å; I847-L849 PolarHBondContact O-N 2.92Å; I847-I850 PolarHBondContact O-N 3.46Å
848	E	80.1	Confident	83.5	Confident	61 Å²	61	19.2 Å²	19.2	29%	0.285	10%	0.103	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.6	19.9	175.3	-55.3	-170.5	145.9	0	0	115.9	R214 R343 D846 I850	R214-E848 PolarHBondContact NH1-O 3.32Å; R343-E848 HydrophobicContact CB-CG 4.24Å; R343-E848 WeakPolarHBondContact CD-OE2 3.45Å; R343-E848 WeakPolarHBondContact CG-OE1 3.41Å; R343-E848 IonicContact CZ-OE2 3.68Å; R343-E848 PolarHBondContact N-OE1 2.87Å; R343-E848 IonicContact NH1-OE1 2.65Å; R343-E848 PolarHBondContact NH1-OE1 3.23Å; R343-E848 IonicContact NH1-OE2 3.57Å; R343-E848 PolarHBondContact NH1-OE2 2.8Å; D846-E848 PolarHBondContact O-N 3.41Å; E848-I850 HydrophobicContact CB-CD1 4.1Å; E848-I850 HydrophobicContact CB-CG1 4.28Å; E848-I850 PolarHBondContact O-N 3.24Å
849	L	80.2	Confident	83.1	Confident	37 Å²	37	21.2 Å²	21.2	19%	0.194	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.4	35.5	-170	-68.4	179.3	0	0	0	113.7	A211 R214 V336 A845 I847	A211-L849 VanDerWaalsContact CA-CD1 3.42Å; A211-L849 HydrophobicContact CB-CD1 3.46Å; A211-L849 VanDerWaalsContact CB-CD1 3.46Å; R214-L849 HydrophobicContact CB-CD1 4.28Å; R214-L849 VanDerWaalsContact NH1-CB 3.31Å; R214-L849 PolarHBondContact NH1-O 3.05Å; V336-L849 HydrophobicContact CG1-CD2 3.96Å; V336-L849 HydrophobicContact CG2-CD2 4.27Å; A845-L849 HydrophobicContact CB-CD2 4.12Å; A845-L849 WeakPolarHBondContact O-CA 3.27Å; A845-L849 WeakPolarHBondContact O-CD2 3.5Å; A845-L849 PolarHBondContact O-N 3.07Å; I847-L849 PolarHBondContact O-N 2.92Å
850	I	83.1	Confident	83.1	Confident	62 Å²	62	25.2 Å²	25.2	32%	0.318	13%	0.133	S	C	.	.			trans	-94.6	122.7	170.6	-63.3	171.1	0	0	0	107.6	P362 I847 E848 V852	P362-I850 HydrophobicContact CB-CB 4.46Å; P362-I850 HydrophobicContact CB-CG2 4.34Å; P362-I850 HydrophobicContact CG-CB 4.02Å; P362-I850 HydrophobicContact CG-CD1 3.8Å; P362-I850 HydrophobicContact CG-CG1 4.48Å; P362-I850 HydrophobicContact CG-CG2 4.05Å; I847-I850 PolarHBondContact O-N 3.46Å; E848-I850 HydrophobicContact CB-CD1 4.1Å; E848-I850 HydrophobicContact CB-CG1 4.28Å; E848-I850 PolarHBondContact O-N 3.24Å; I850-V852 PolarHBondContact O-N 3.06Å
851	K	83.5	Confident	83.5	Confident	105 Å²	105	25.2 Å²	25.2	46%	0.457	13%	0.133	S	C	.	.			trans	-75.8	108.5	-176.8	-175.3	-175.2	177.2	-176.2	0	110.5	S843 T844	S843-K851 VanDerWaalsContact CB-CE 3.48Å; S843-K851 VanDerWaalsContact OG-CE 3.22Å; S843-K851 WeakPolarHBondContact OG-CE 3.43Å; T844-K851 WeakPolarHBondContact O-CA 3.45Å
852	V	84.7	Confident	84.1	Confident	6 Å²	6	24.8 Å²	24.8	4%	0.036	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	142.5	170.9	-177.5	0	0	0	0	109.5	P362 E363 T366 S843 T844 I850	P362-V852 HydrophobicContact CB-CG2 3.46Å; P362-V852 VanDerWaalsContact CB-CG2 3.46Å; E363-V852 HydrophobicContact CB-CG1 4.37Å; E363-V852 HydrophobicContact CG-CG1 4.31Å; E363-V852 HydrophobicContact CG-CG2 4.2Å; T366-V852 HydrophobicContact CG2-CG1 3.89Å; S843-V852 CarbonylContact C-O 3.56Å; S843-V852 WeakPolarHBondContact CA-O 3.32Å; S843-V852 WeakPolarHBondContact CB-O 3.41Å; T844-V852 HydrophobicContact CG2-CB 3.79Å; T844-V852 HydrophobicContact CG2-CG2 4.46Å; T844-V852 PolarHBondContact N-O 3Å; T844-V852 PolarHBondContact O-N 2.83Å; T844-V852 VanDerWaalsContact O-N 3.15Å; I850-V852 PolarHBondContact O-N 3.06Å
853	V	83.3	Confident	84.6	Confident	48 Å²	48	24.8 Å²	24.8	29%	0.291	13%	0.13	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	143.3	-179.6	-174.1	0	0	0	0	109.8	P841 S842 V859	P841-V853 HydrophobicContact CB-CG1 3.72Å; P841-V853 HydrophobicContact CG-CG1 3.75Å; S842-V853 CarbonylContact O-C 3.58Å; S842-V853 WeakPolarHBondContact O-CA 3.41Å; S842-V853 WeakPolarHBondContact O-CG1 3.27Å; V853-V859 WeakPolarHBondContact CG1-O 3.27Å
854	G	76.1	Confident	85.1	Confident	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.125	C	C	.	.			trans	86.5	49.5	179.7	0	0	0	0	0	114.1	R370 S842	R370-G854 WeakPolarHBondContact CD-O 3.42Å; R370-G854 VanDerWaalsContact NH1-C 3.26Å; R370-G854 PolarHBondContact NH1-O 2.87Å; S842-G854 PolarHBondContact O-N 3.01Å
855	V	78.4	Confident	85.7	Confident	1 Å²	1	23.7 Å²	23.7	1%	0.006	12%	0.123	C	C	.	.	S	Bend	trans	-74.7	-68.8	179.7	-163.7	0	0	0	0	110.4	L319 T366 R370 E403 S842 T844	L319-V855 HydrophobicContact CB-CG1 4.38Å; T366-V855 HydrophobicContact CG2-CB 4.35Å; T366-V855 HydrophobicContact CG2-CG1 4.03Å; T366-V855 HydrophobicContact CG2-CG2 4.16Å; R370-V855 VanDerWaalsContact CB-O 3.25Å; R370-V855 WeakPolarHBondContact CB-O 3.23Å; R370-V855 VanDerWaalsContact CD-O 3.31Å; R370-V855 WeakPolarHBondContact CD-O 3.3Å; R370-V855 WeakPolarHBondContact CG-O 3.43Å; R370-V855 PolarHBondContact NH1-O 2.96Å; E403-V855 HydrophobicContact CB-CB 4.09Å; E403-V855 HydrophobicContact CB-CG1 4.23Å; E403-V855 HydrophobicContact CB-CG2 4.36Å; E403-V855 HydrophobicContact CG-CB 4.38Å; E403-V855 HydrophobicContact CG-CG1 4.37Å; E403-V855 HydrophobicContact CG-CG2 4.19Å; S842-V855 WeakPolarHBondContact OG-CB 3.48Å; S842-V855 PolarHBondContact OG-N 3.01Å; T844-V855 HydrophobicContact CG2-CG2 3.73Å
856	H	82.6	Confident	86.4	Confident	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.111	C	C	.	.	S	Bend	trans	-119	-49.6	177.9	-63.3	-62.8	0	0	0	112.8	R370 I373 R374 F377 E403 M408 S842	R370-H856 VanDerWaalsContact NH1-C 3.29Å; R370-H856 PolarHBondContact NH1-O 3.22Å; R370-H856 VanDerWaalsContact NH1-O 3.12Å; I373-H856 WeakPolarHBondContact CB-NE2 3.41Å; I373-H856 WeakPolarHBondContact CD1-NE2 3.4Å; I373-H856 WeakPolarHBondContact CG1-NE2 3.29Å; I373-H856 WeakPolarHBondContact CG2-NE2 3.41Å; R374-H856 PolarHBondContact NH2-O 3.34Å; F377-H856 AromaticContact CE2-CE1 3.54Å; F377-H856 AromaticContact CE2-ND1 3.62Å; E403-H856 PolarHBondContact O-N 2.98Å; M408-H856 HydrophobicContact CE-CB 4.14Å; M408-H856 WeakPolarHBondContact CE-O 3.39Å; M408-H856 HydrophobicContact SD-CB 3.86Å; S842-H856 PolarHBondContact OG-N 3.11Å
857	G	80.5	Confident	87	Confident	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.121	C	C	.	.	S	Bend	trans	-69.2	-168.1	172.4	0	0	0	0	0	114.3	R370 E403 S842	R370-G857 PolarHBondContact NH1-O 3.33Å; R370-G857 PolarHBondContact NH2-O 3.18Å; R370-G857 VanDerWaalsContact NH2-O 3.09Å; E403-G857 PolarHBondContact O-N 3.03Å; S842-G857 PolarHBondContact OG-N 3.05Å
858	P	83.2	Confident	87.4	Confident	2 Å²	2	26.7 Å²	26.7	1%	0.013	13%	0.133	C	C	.	.			trans	-61.9	145.5	-179.9	25.1	-35.9	0	0	0	112.7	E799 P841 S842	E799-P858 CarbonylContact O-C 3.6Å; E799-P858 VanDerWaalsContact O-CA 3.31Å; E799-P858 WeakPolarHBondContact O-CA 3.48Å; P841-P858 WeakPolarHBondContact CB-O 3.32Å; S842-P858 PolarHBondContact N-O 3.38Å
859	V	84.1	Confident	87.8	Confident	44 Å²	44	28.8 Å²	28.8	27%	0.267	15%	0.153	S	C	.	.	S	Bend	trans	-75.2	-29.3	176.2	-172.2	0	0	0	0	110.9	E799 Y800 P841 V853	E799-V859 HydrophobicContact CG-CB 4.45Å; E799-V859 HydrophobicContact CG-CG2 3.79Å; E799-V859 PolarHBondContact O-N 3.42Å; Y800-V859 HydrophobicContact CD1-CB 4.31Å; Y800-V859 HydrophobicContact CE1-CB 4.02Å; P841-V859 WeakPolarHBondContact CB-O 3.37Å; V853-V859 WeakPolarHBondContact CG1-O 3.27Å
860	K	87.9	Confident	88.2	Confident	85 Å²	85	28.4 Å²	28.4	37%	0.37	15%	0.151	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	137.9	179.3	-166	177.2	178.6	-177	0	111	L719 Y800 S801	L719-K860 HydrophobicContact CD2-CD 3.95Å; Y800-K860 WeakPolarHBondContact CA-O 3.45Å; Y800-K860 HydrophobicContact CD1-CB 3.54Å; Y800-K860 HydrophobicContact CE1-CB 4.07Å; Y800-K860 HydrophobicContact CG-CB 4.42Å; S801-K860 PolarHBondContact N-O 2.92Å
861	A	91.3	Very high	88.5	Confident	1 Å²	1	26.6 Å²	26.6	1%	0.008	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	147.5	168.4	0	0	0	0	0	110	T698 R699 S801 F803 Y863	T698-A861 HydrophobicContact CG2-CB 3.69Å; R699-A861 PolarHBondContact N-O 2.93Å; S801-A861 WeakPolarHBondContact O-CA 3.18Å; F803-A861 HydrophobicContact CD2-CB 4.47Å; F803-A861 HydrophobicContact CE2-CB 3.92Å; A861-Y863 HydrophobicContact CB-CE1 4.5Å
862	V	95.1	Very high	88.7	Confident	2 Å²	2	22.3 Å²	22.3	1%	0.012	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	133.9	170.7	-178.4	0	0	0	0	108.2	R699 L715 L719 S801 L802 F803	R699-V862 HydrophobicContact CB-CG1 4.39Å; R699-V862 HydrophobicContact CB-CG2 4.39Å; R699-V862 HydrophobicContact CG-CG1 4.39Å; R699-V862 CarbonylContact O-C 3.51Å; R699-V862 VanDerWaalsContact O-CA 3.3Å; R699-V862 WeakPolarHBondContact O-CA 3.42Å; R699-V862 WeakPolarHBondContact O-CG1 3.45Å; L715-V862 HydrophobicContact CD1-CG1 3.98Å; L715-V862 HydrophobicContact CD2-CG1 4.06Å; L719-V862 HydrophobicContact CD1-CG2 3.99Å; L719-V862 HydrophobicContact CD2-CG2 4.08Å; L719-V862 HydrophobicContact CG-CG2 4.46Å; S801-V862 PolarHBondContact O-N 3.38Å; L802-V862 WeakPolarHBondContact CA-O 3.38Å; L802-V862 HydrophobicContact CD1-CB 3.99Å; L802-V862 HydrophobicContact CD1-CG1 3.77Å; F803-V862 PolarHBondContact N-O 3.28Å
863	Y	97.1	Very high	89	Confident	0 Å²	0	23.2 Å²	23.2	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	118	174.9	-57.7	-22	0	0	0	109.5	F688 A692 T698 R699 C700 E701 G780 V782 F803 A861	F688-Y863 AromaticContact CE1-CD2 3.65Å; F688-Y863 HydrophobicContact CE1-CD2 3.65Å; F688-Y863 HydrophobicContact CE1-CE2 4.08Å; F688-Y863 HydrophobicContact CE2-CE2 4.19Å; F688-Y863 AromaticContact CZ-CD2 3.5Å; F688-Y863 HydrophobicContact CZ-CD2 3.5Å; F688-Y863 VanDerWaalsContact CZ-CD2 3.5Å; F688-Y863 AromaticContact CZ-CE2 3.49Å; F688-Y863 HydrophobicContact CZ-CE2 3.49Å; F688-Y863 VanDerWaalsContact CZ-CE2 3.49Å; F688-Y863 HydrophobicContact CZ-CG 4.46Å; A692-Y863 HydrophobicContact CB-CD2 4.13Å; A692-Y863 HydrophobicContact CB-CE2 3.77Å; T698-Y863 HydrophobicContact CG2-CD1 3.82Å; T698-Y863 HydrophobicContact CG2-CD2 3.82Å; T698-Y863 HydrophobicContact CG2-CE1 3.68Å; T698-Y863 HydrophobicContact CG2-CE2 3.67Å; T698-Y863 HydrophobicContact CG2-CG 3.9Å; R699-Y863 PolarHBondContact O-N 3.43Å; C700-Y863 CarbonylContact C-O 3.49Å; C700-Y863 WeakPolarHBondContact CA-O 3.41Å; E701-Y863 PolarHBondContact N-O 3.3Å; G780-Y863 VanDerWaalsContact O-CE2 3.23Å; G780-Y863 WeakPolarHBondContact O-CE2 3.46Å; G780-Y863 PolarHBondContact O-OH 3.1Å; V782-Y863 HydrophobicContact CB-CE1 4.38Å; V782-Y863 HydrophobicContact CG1-CD1 3.97Å; V782-Y863 HydrophobicContact CG1-CD2 4.47Å; V782-Y863 HydrophobicContact CG1-CE1 3.63Å; V782-Y863 HydrophobicContact CG1-CE2 4.19Å; V782-Y863 HydrophobicContact CG1-CG 4.38Å; V782-Y863 HydrophobicContact CG2-CE1 3.82Å; F803-Y863 HydrophobicContact CB-CD1 3.87Å; F803-Y863 HydrophobicContact CB-CE1 4.36Å; F803-Y863 AromaticContact CD2-CD1 3.69Å; F803-Y863 HydrophobicContact CD2-CD1 3.69Å; F803-Y863 AromaticContact CD2-CE1 3.65Å; F803-Y863 HydrophobicContact CD2-CE1 3.65Å; F803-Y863 HydrophobicContact CE2-CE1 4.2Å; F803-Y863 HydrophobicContact CG-CD1 4.08Å; F803-Y863 HydrophobicContact CG-CE1 4.15Å; F803-Y863 WeakPolarHBondContact O-CA 3.21Å; A861-Y863 HydrophobicContact CB-CE1 4.5Å
864	L	98	Very high	89.3	Confident	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	104.6	166.5	-174.5	61.2	0	0	0	108.3	E701 T703 A711 A712 L715 L802 F803 I804 L805 I866	E701-L864 HydrophobicContact CB-CD1 4.15Å; E701-L864 HydrophobicContact CG-CD1 4.37Å; T703-L864 HydrophobicContact CG2-CD1 3.58Å; T703-L864 HydrophobicContact CG2-CD2 4.24Å; T703-L864 HydrophobicContact CG2-CG 3.93Å; A711-L864 HydrophobicContact CB-CD1 3.8Å; A711-L864 HydrophobicContact CB-CD2 3.88Å; A712-L864 HydrophobicContact CB-CD2 4.11Å; L715-L864 HydrophobicContact CD1-CB 4.16Å; L715-L864 HydrophobicContact CD1-CD1 4.02Å; L715-L864 HydrophobicContact CD1-CD2 4.43Å; L715-L864 HydrophobicContact CD1-CG 4.44Å; L802-L864 HydrophobicContact CD1-CB 4.12Å; F803-L864 PolarHBondContact O-N 3.07Å; I804-L864 WeakPolarHBondContact CA-O 3.24Å; I804-L864 HydrophobicContact CD1-CB 3.83Å; I804-L864 HydrophobicContact CD1-CD2 4.06Å; I804-L864 HydrophobicContact CD1-CG 4.45Å; L805-L864 PolarHBondContact N-O 3.32Å; L864-I866 HydrophobicContact CG-CD1 4.26Å
865	I	98.3	Very high	90.2	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	125.2	-178.5	-51.4	172.9	0	0	0	108	F688 I689 C700 E701 L702 T703 L805 K807 I810	F688-I865 HydrophobicContact CD1-CD1 3.9Å; F688-I865 HydrophobicContact CE1-CD1 3.8Å; F688-I865 HydrophobicContact CE1-CG1 4.42Å; I689-I865 HydrophobicContact CD1-CD1 3.84Å; I689-I865 HydrophobicContact CG1-CD1 3.46Å; I689-I865 VanDerWaalsContact CG1-CD1 3.46Å; C700-I865 HydrophobicContact CB-CD1 4.38Å; E701-I865 PolarHBondContact O-N 3.04Å; L702-I865 WeakPolarHBondContact CA-O 3.4Å; L702-I865 HydrophobicContact CD1-CB 3.86Å; L702-I865 HydrophobicContact CD1-CG2 3.64Å; T703-I865 PolarHBondContact N-O 2.98Å; L805-I865 CarbonylContact O-C 3.58Å; L805-I865 VanDerWaalsContact O-CA 3.28Å; L805-I865 WeakPolarHBondContact O-CA 3.31Å; K807-I865 HydrophobicContact CB-CG2 4.1Å; I810-I865 HydrophobicContact CD1-CG2 4.31Å
866	I	98.2	Very high	91.1	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	118.9	178.6	-51.6	-52.6	0	0	0	108.3	T703 E705 A708 L735 I804 L805 R806 K807 L864 D868	T703-I866 HydrophobicContact CG2-CD1 3.84Å; T703-I866 CarbonylContact O-C 3.6Å; T703-I866 WeakPolarHBondContact O-CA 3.43Å; E705-I866 HydrophobicContact CB-CG2 4.41Å; E705-I866 HydrophobicContact CG-CG2 3.51Å; A708-I866 HydrophobicContact CB-CD1 3.7Å; L735-I866 HydrophobicContact CD1-CD1 4.41Å; L735-I866 HydrophobicContact CD1-CG1 4.08Å; L735-I866 HydrophobicContact CD2-CG2 4.38Å; I804-I866 HydrophobicContact CG2-CD1 4.1Å; I804-I866 HydrophobicContact CG2-CG1 3.89Å; L805-I866 PolarHBondContact O-N 3.27Å; R806-I866 HydrophobicContact CG-CB 4.37Å; K807-I866 VanDerWaalsContact CB-O 3.29Å; K807-I866 WeakPolarHBondContact CB-O 3.49Å; K807-I866 PolarHBondContact N-O 2.92Å; L864-I866 HydrophobicContact CG-CD1 4.26Å; I866-D868 PolarHBondContact O-N 3.21Å
867	E	96	Very high	91.7	Very high	59 Å²	59	26.6 Å²	26.6	28%	0.276	15%	0.147	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	108.5	174.4	179.2	54.4	-86.4	0	0	109.6	L702 T703 K807 C869	L702-E867 HydrophobicContact CD1-CB 4.05Å; L702-E867 HydrophobicContact CG-CB 4.34Å; T703-E867 WeakPolarHBondContact O-CB 3.49Å; T703-E867 PolarHBondContact O-N 2.76Å; K807-E867 WeakPolarHBondContact CD-OE1 3.17Å; K807-E867 WeakPolarHBondContact CD-OE2 3.27Å; K807-E867 WeakPolarHBondContact CE-OE1 3.28Å; K807-E867 IonicContact NZ-OE1 2.76Å; K807-E867 PolarHBondContact NZ-OE1 3.38Å; K807-E867 IonicContact NZ-OE2 2.61Å; K807-E867 PolarHBondContact NZ-OE2 2.98Å; E867-C869 PolarHBondContact OE1-N 2.77Å
868	D	94.2	Very high	92.7	Very high	48 Å²	48	28.8 Å²	28.8	26%	0.257	16%	0.159	S	C	.	.			trans	-137.7	8.6	-173.1	73	-34.7	0	0	0	114.8	R806 K807 S808 I866	R806-D868 WeakPolarHBondContact CB-OD2 3.45Å; R806-D868 VanDerWaalsContact CD-OD2 3.24Å; R806-D868 WeakPolarHBondContact CD-OD2 3.22Å; R806-D868 VanDerWaalsContact CG-OD2 3.24Å; R806-D868 WeakPolarHBondContact CG-OD2 3.31Å; R806-D868 IonicContact CZ-OD2 3.93Å; R806-D868 IonicContact NE-OD2 3.49Å; R806-D868 IonicContact NH1-OD2 3.54Å; R806-D868 PolarHBondContact NH1-OD2 2.75Å; K807-D868 PolarHBondContact N-OD1 3.36Å; S808-D868 WeakPolarHBondContact CB-OD1 3.49Å; S808-D868 WeakPolarHBondContact CB-OD2 3.46Å; S808-D868 PolarHBondContact N-OD1 3.2Å; S808-D868 PolarHBondContact OG-OD1 3.49Å; S808-D868 PolarHBondContact OG-OD2 3.01Å; I866-D868 PolarHBondContact O-N 3.21Å
869	C	88.4	Confident	93.5	Very high	105 Å²	105	31.3 Å²	31.3	71%	0.709	17%	0.173	S	C	*	.			trans	-158.3	0	-178.9	62.2	0	0	0	0	115.7	Q681 K807 E867	Q681-C869 VanDerWaalsContact CG-SG 3.56Å; K807-C869 WeakPolarHBondContact CE-O 3.42Å; K807-C869 PolarHBondContact NZ-O 3.48Å; E867-C869 PolarHBondContact OE1-N 2.77Å

Retrieved 869 of 869 residues in 6217.6 ms (Link to these results)

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