A0A096NHP3_PAPAN Loading...

peptidylprolyl isomerase

AlphaFold DB , UniProt , Accession A0A096NHP3, Species PAPAN (Papio anubis, Olive baboon), Gene FKBP5, Length 457 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.6	Very low	36.7	Very low	246 Å²	246	145 Å²	145	100%	1.212	87%	0.865	S	S	*	*				0	95.4	0	-75.4	-175.1	179.6	0	0	107
2	T	32.9	Very low	38.3	Very low	142 Å²	142	142.9 Å²	142.9	87%	0.871	84%	0.84	S	S	*	*			trans	-134.9	112.3	176.1	32.1	0	0	0	0	105	D4	T2-D4 PolarHBondContact O-N 3.06Å
3	T	36.1	Very low	41.5	Very low	141 Å²	141	137 Å²	137	87%	0.865	81%	0.811	S	S	*	*			trans	-71.7	119.4	-179.4	39	0	0	0	0	109.3
4	D	34.8	Very low	44.5	Very low	156 Å²	156	131.8 Å²	131.8	83%	0.834	78%	0.783	S	S	*	*			trans	-74.4	109.9	170.9	-165.2	11.8	0	0	0	108.1	T2 G6	T2-D4 PolarHBondContact O-N 3.06Å; D4-G6 PolarHBondContact O-N 3.43Å
5	E	38.3	Very low	47.2	Very low	187 Å²	187	125 Å²	125	87%	0.874	74%	0.743	S	S	*	*			trans	-82.4	101.1	169.9	-85.3	-169	155.3	0	0	108.7	A7	E5-A7 PolarHBondContact O-N 3.41Å
6	G	32.8	Very low	49.7	Very low	66 Å²	66	120.1 Å²	120.1	68%	0.68	72%	0.72	S	S	*	*			trans	-57.6	120.9	179.7	0	0	0	0	0	113.2	D4 K8	D4-G6 PolarHBondContact O-N 3.43Å; G6-K8 PolarHBondContact O-N 2.98Å
7	A	35	Very low	52	Low	100 Å²	100	114.9 Å²	114.9	83%	0.826	69%	0.69	S	S	*	*			trans	-59.5	114.1	159.3	0	0	0	0	0	109.1	E5 N9	E5-A7 PolarHBondContact O-N 3.41Å; A7-N9 PolarHBondContact O-N 2.89Å
8	K	34.4	Very low	54.1	Low	204 Å²	204	108.6 Å²	108.6	89%	0.887	65%	0.651	S	S	*	*			trans	-60.5	107.4	171.4	-81.3	178.8	176.6	175.3	0	109.4	G6 S10	G6-K8 PolarHBondContact O-N 2.98Å; K8-S10 PolarHBondContact O-N 2.99Å
9	N	37.8	Very low	56	Low	164 Å²	164	105.1 Å²	105.1	88%	0.877	64%	0.635	S	S	*	*			trans	-75.8	92.5	168.3	-143	6.1	0	0	0	107.8	A7 G11	A7-N9 PolarHBondContact O-N 2.89Å; N9-G11 PolarHBondContact O-N 3.11Å; N9-G11 VanDerWaalsContact O-N 3.11Å
10	S	39.5	Very low	57.8	Low	108 Å²	108	106.5 Å²	106.5	76%	0.755	64%	0.635	S	S	*	*			trans	-74.1	96.1	170.5	54.2	0	0	0	0	108.7	K8 E12	K8-S10 PolarHBondContact O-N 2.99Å; S10-E12 PolarHBondContact O-N 3.38Å
11	G	44.2	Very low	59.5	Low	81 Å²	81	107.6 Å²	107.6	84%	0.835	63%	0.633	S	S	*	*			trans	-74.2	48	-172.5	0	0	0	0	0	116.2	N9	N9-G11 PolarHBondContact O-N 3.11Å; N9-G11 VanDerWaalsContact O-N 3.11Å
12	E	56.3	Low	62.2	Low	120 Å²	120	96.2 Å²	96.2	56%	0.561	58%	0.579	S	S	*	*			trans	-94.6	131.8	169	-82.3	177.5	-178.1	0	0	111.1	S10	S10-E12 PolarHBondContact O-N 3.38Å
13	S	80.1	Confident	65.2	Low	66 Å²	66	95.5 Å²	95.5	46%	0.462	57%	0.566	S	S	.	*			trans	-63	135.7	175.4	175.8	0	0	0	0	109.8	T15 A16 T17	S13-T15 PolarHBondContact O-N 3.46Å; S13-A16 WeakPolarHBondContact O-CA 3.43Å; S13-A16 WeakPolarHBondContact O-CB 3.43Å; S13-A16 PolarHBondContact O-N 3.34Å; S13-T17 PolarHBondContact O-N 3Å; S13-T17 PolarHBondContact O-OG1 3.43Å
14	P	82.7	Confident	68.1	Low	64 Å²	64	89.9 Å²	89.9	42%	0.416	53%	0.531	S	S	.	.	H	α-helix	trans	-52.9	-30.1	177.9	-26.7	33.3	0	0	0	113.7	V18 F129	P14-V18 WeakPolarHBondContact O-CG1 3.35Å; P14-V18 PolarHBondContact O-N 2.73Å; P14-F129 HydrophobicContact CB-CE2 4.39Å; P14-F129 HydrophobicContact CB-CZ 4Å
15	T	85.7	Confident	71.1	Confident	30 Å²	30	83.6 Å²	83.6	18%	0.184	50%	0.497	C	S	.	.	H	α-helix	trans	-67.7	-36.9	174.6	-49.8	0	0	0	0	112.6	S13 V18 A19 L106 F129	S13-T15 PolarHBondContact O-N 3.46Å; T15-V18 WeakPolarHBondContact O-CG1 3.41Å; T15-A19 WeakPolarHBondContact O-CB 3.36Å; T15-A19 PolarHBondContact O-N 3.03Å; T15-L106 HydrophobicContact CG2-CD1 3.94Å; T15-F129 HydrophobicContact CG2-CB 4.48Å; T15-F129 HydrophobicContact CG2-CD2 4.22Å
16	A	86.6	Confident	73.9	Confident	46 Å²	46	74.8 Å²	74.8	38%	0.38	46%	0.456	S	S	.	.	H	α-helix	trans	-71	-42.4	177.7	0	0	0	0	0	110.8	S13 V18 A19 E20	S13-A16 WeakPolarHBondContact O-CA 3.43Å; S13-A16 WeakPolarHBondContact O-CB 3.43Å; S13-A16 PolarHBondContact O-N 3.34Å; A16-V18 PolarHBondContact O-N 3.06Å; A16-A19 WeakPolarHBondContact O-CB 3.47Å; A16-A19 PolarHBondContact O-N 3.17Å; A16-A19 VanDerWaalsContact O-N 3.07Å; A16-E20 PolarHBondContact O-N 3.2Å
17	T	89.5	Confident	76.9	Confident	33 Å²	33	77.2 Å²	77.2	20%	0.202	46%	0.463	C	S	.	.	H	α-helix	trans	-58	-47.2	177.6	-47.7	0	0	0	0	111.9	S13 A19 E20 Q21 I36	S13-T17 PolarHBondContact O-N 3Å; S13-T17 PolarHBondContact O-OG1 3.43Å; T17-A19 VanDerWaalsContact C-N 3.32Å; T17-A19 PolarHBondContact O-N 2.94Å; T17-E20 PolarHBondContact O-N 3.03Å; T17-Q21 PolarHBondContact O-N 3.25Å; T17-I36 HydrophobicContact CG2-CD1 4.06Å
18	V	89.5	Confident	79.8	Confident	0 Å²	0	80.3 Å²	80.3	0%	0	46%	0.457	C	S	.	.	H	α-helix	trans	-68.3	-29.1	176.8	65.9	0	0	0	0	112.7	P14 T15 A16 G22 L34 I36 L106 F129	P14-V18 WeakPolarHBondContact O-CG1 3.35Å; P14-V18 PolarHBondContact O-N 2.73Å; T15-V18 WeakPolarHBondContact O-CG1 3.41Å; A16-V18 PolarHBondContact O-N 3.06Å; V18-G22 WeakPolarHBondContact O-CA 3.27Å; V18-G22 PolarHBondContact O-N 2.81Å; V18-L34 HydrophobicContact CG2-CB 4.15Å; V18-I36 HydrophobicContact CB-CG2 3.89Å; V18-I36 HydrophobicContact CG2-CB 4.47Å; V18-I36 HydrophobicContact CG2-CG2 3.97Å; V18-L106 HydrophobicContact CG1-CB 3.8Å; V18-L106 HydrophobicContact CG1-CD1 4.42Å; V18-L106 HydrophobicContact CG1-CD2 4.34Å; V18-L106 HydrophobicContact CG1-CG 4.42Å; V18-L106 HydrophobicContact CG2-CB 4.02Å; V18-F129 HydrophobicContact CG1-CD2 4.06Å; V18-F129 HydrophobicContact CG1-CE2 3.96Å
19	A	90.1	Very high	82.7	Confident	42 Å²	42	77.2 Å²	77.2	35%	0.347	44%	0.444	S	S	.	.	H	α-helix	trans	-69.2	-38.5	177.6	0	0	0	0	0	112.2	T15 A16 T17 R31 L106	T15-A19 WeakPolarHBondContact O-CB 3.36Å; T15-A19 PolarHBondContact O-N 3.03Å; A16-A19 WeakPolarHBondContact O-CB 3.47Å; A16-A19 PolarHBondContact O-N 3.17Å; A16-A19 VanDerWaalsContact O-N 3.07Å; T17-A19 VanDerWaalsContact C-N 3.32Å; T17-A19 PolarHBondContact O-N 2.94Å; A19-R31 PolarHBondContact O-NH2 2.69Å; A19-L106 HydrophobicContact CB-CD2 3.84Å
20	E	91.4	Very high	85.5	Confident	134 Å²	134	72.3 Å²	72.3	63%	0.626	42%	0.418	S	S	*	.	H	α-helix	trans	-82.5	-49.4	-178.6	-172.8	170.5	-174.9	0	0	112.2	A16 T17	A16-E20 PolarHBondContact O-N 3.2Å; T17-E20 PolarHBondContact O-N 3.03Å
21	Q	93.9	Very high	88.2	Confident	129 Å²	129	72.7 Å²	72.7	60%	0.603	40%	0.402	S	S	*	.	H	α-helix	trans	-109.8	0.6	-169	-60	176.3	-10.1	0	0	114	T17	T17-Q21 PolarHBondContact O-N 3.25Å
22	G	93.9	Very high	90.7	Very high	8 Å²	8	68.8 Å²	68.8	8%	0.082	36%	0.363	C	S	.	.			trans	-67.2	138.4	-177.8	0	0	0	0	0	113.2	V18 K35	V18-G22 WeakPolarHBondContact O-CA 3.27Å; V18-G22 PolarHBondContact O-N 2.81Å; G22-K35 CarbonylContact C-O 3.51Å; G22-K35 WeakPolarHBondContact CA-O 3.38Å
23	E	96.8	Very high	92.7	Very high	127 Å²	127	63.1 Å²	63.1	59%	0.593	34%	0.336	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.1	128.9	174.1	-174.7	-172.1	167	0	0	110.4	I25 L34 K35	E23-I25 HydrophobicContact CG-CG2 4.22Å; E23-I25 PolarHBondContact O-N 2.96Å; E23-L34 CarbonylContact O-C 3.56Å; E23-L34 VanDerWaalsContact O-CA 3.3Å; E23-L34 WeakPolarHBondContact O-CA 3.48Å; E23-K35 PolarHBondContact N-O 3.05Å; E23-K35 PolarHBondContact O-N 3.08Å
24	D	97.8	Very high	93.6	Very high	23 Å²	23	60.3 Å²	60.3	12%	0.123	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	105.9	174	-175.6	1.6	0	0	0	111.3	T26 K29 D30 R31 L34	D24-T26 WeakPolarHBondContact OD1-CB 2.99Å; D24-T26 WeakPolarHBondContact OD1-CG2 3.46Å; D24-T26 PolarHBondContact OD1-N 2.98Å; D24-T26 PolarHBondContact OD1-OG1 3.27Å; D24-T26 PolarHBondContact OD2-OG1 3.48Å; D24-K29 PolarHBondContact O-NZ 3Å; D24-K29 WeakPolarHBondContact OD2-CA 3.33Å; D24-D30 PolarHBondContact OD2-N 3.16Å; D24-R31 WeakPolarHBondContact OD2-CA 3.33Å; D24-R31 PolarHBondContact OD2-N 3.17Å; D24-L34 HydrophobicContact CB-CD2 3.82Å
25	I	97.4	Very high	94.3	Very high	24 Å²	24	57.9 Å²	57.9	12%	0.123	30%	0.299	C	S	.	.			trans	-95.7	7.4	-177.9	59.3	170.4	0	0	0	113.1	E23 V33 K35 I92 T96 L105	E23-I25 HydrophobicContact CG-CG2 4.22Å; E23-I25 PolarHBondContact O-N 2.96Å; I25-V33 HydrophobicContact CD1-CG1 3.83Å; I25-V33 HydrophobicContact CG1-CB 4.09Å; I25-V33 HydrophobicContact CG1-CG1 3.86Å; I25-V33 WeakPolarHBondContact CG1-O 3.3Å; I25-V33 PolarHBondContact N-O 3.16Å; I25-K35 HydrophobicContact CD1-CB 4.09Å; I25-K35 HydrophobicContact CD1-CD 4.36Å; I25-K35 HydrophobicContact CG2-CB 4.24Å; I25-I92 HydrophobicContact CB-CG2 4.44Å; I25-I92 HydrophobicContact CD1-CG2 3.98Å; I25-I92 HydrophobicContact CG1-CG2 3.95Å; I25-I92 WeakPolarHBondContact O-CG2 3.39Å; I25-T96 HydrophobicContact CB-CG2 4.5Å; I25-T96 HydrophobicContact CD1-CG2 4.31Å; I25-T96 HydrophobicContact CG2-CG2 4.48Å; I25-L105 HydrophobicContact CD1-CD2 4.36Å
26	T	96.8	Very high	94.9	Very high	1 Å²	1	58.7 Å²	58.7	1%	0.006	30%	0.301	C	S	.	.			trans	-74.7	147.3	175.3	64.8	0	0	0	0	111.5	D24 K28 K29 D30 V33 Y111	D24-T26 WeakPolarHBondContact OD1-CB 2.99Å; D24-T26 WeakPolarHBondContact OD1-CG2 3.46Å; D24-T26 PolarHBondContact OD1-N 2.98Å; D24-T26 PolarHBondContact OD1-OG1 3.27Å; D24-T26 PolarHBondContact OD2-OG1 3.48Å; T26-K28 VanDerWaalsContact C-N 3.3Å; T26-K29 WeakPolarHBondContact O-CD 3.46Å; T26-K29 PolarHBondContact O-N 3.2Å; T26-K29 WeakPolarHBondContact OG1-CA 3.43Å; T26-K29 PolarHBondContact OG1-N 3.48Å; T26-K29 VanDerWaalsContact OG1-N 3.09Å; T26-D30 PolarHBondContact OG1-N 2.95Å; T26-D30 PolarHBondContact OG1-OD1 3.39Å; T26-V33 HydrophobicContact CG2-CB 3.84Å; T26-V33 HydrophobicContact CG2-CG2 3.85Å; T26-Y111 HydrophobicContact CG2-CE1 4.12Å; T26-Y111 HydrophobicContact CG2-CE2 4.43Å
27	S	94.8	Very high	95.4	Very high	118 Å²	118	59.6 Å²	59.6	83%	0.825	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-32	173.7	54.9	0	0	0	0	112.4	K29	S27-K29 VanDerWaalsContact C-N 3.34Å
28	K	95.7	Very high	95.7	Very high	165 Å²	165	64 Å²	64	72%	0.717	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-9.3	178.8	-65.3	-176.6	-179.6	-178.6	0	114.2	T26 D30	T26-K28 VanDerWaalsContact C-N 3.3Å; K28-D30 VanDerWaalsContact C-N 3.3Å; K28-D30 HydrophobicContact CB-CB 4.44Å; K28-D30 PolarHBondContact O-N 3Å
29	K	96.4	Very high	96.1	Very high	138 Å²	138	69.5 Å²	69.5	60%	0.6	34%	0.339	S	S	*	.			trans	51.8	45.4	-175.4	-59.1	-61.1	-178.1	-166.4	0	113.3	D24 T26 S27	D24-K29 PolarHBondContact O-NZ 3Å; D24-K29 WeakPolarHBondContact OD2-CA 3.33Å; T26-K29 WeakPolarHBondContact O-CD 3.46Å; T26-K29 PolarHBondContact O-N 3.2Å; T26-K29 WeakPolarHBondContact OG1-CA 3.43Å; T26-K29 PolarHBondContact OG1-N 3.48Å; T26-K29 VanDerWaalsContact OG1-N 3.09Å; S27-K29 VanDerWaalsContact C-N 3.34Å
30	D	96.4	Very high	96.4	Very high	61 Å²	61	72.7 Å²	72.7	33%	0.326	35%	0.354	S	S	.	.	S	Bend	trans	-101.6	11	-176.4	64.2	8.1	0	0	0	113.7	D24 T26 K28 G32 K108 Y111	D24-D30 PolarHBondContact OD2-N 3.16Å; T26-D30 PolarHBondContact OG1-N 2.95Å; T26-D30 PolarHBondContact OG1-OD1 3.39Å; K28-D30 VanDerWaalsContact C-N 3.3Å; K28-D30 HydrophobicContact CB-CB 4.44Å; K28-D30 PolarHBondContact O-N 3Å; D30-G32 PolarHBondContact O-N 2.73Å; D30-G32 VanDerWaalsContact O-N 3.16Å; D30-G32 WeakPolarHBondContact OD1-CA 3.4Å; D30-G32 PolarHBondContact OD1-N 3.27Å; D30-K108 PolarHBondContact O-NZ 3.36Å; D30-Y111 VanDerWaalsContact CG-OH 3.25Å; D30-Y111 PolarHBondContact OD1-OH 3.18Å; D30-Y111 WeakPolarHBondContact OD2-CE2 3.42Å; D30-Y111 PolarHBondContact OD2-OH 3.18Å
31	R	96.9	Very high	96.5	Very high	116 Å²	116	66.8 Å²	66.8	44%	0.438	33%	0.329	S	S	.	.	S	Bend	trans	52.8	28.7	-172.7	-57.5	-176.1	69.3	102.9	-2.8	112.8	A19 D24 V33 L34 K108	A19-R31 PolarHBondContact O-NH2 2.69Å; D24-R31 WeakPolarHBondContact OD2-CA 3.33Å; D24-R31 PolarHBondContact OD2-N 3.17Å; R31-V33 VanDerWaalsContact C-N 3.34Å; R31-L34 HydrophobicContact CB-CD2 3.97Å; R31-L34 HydrophobicContact CG-CD2 4.23Å; R31-K108 VanDerWaalsContact O-CE 3.28Å; R31-K108 WeakPolarHBondContact O-CE 3.41Å
32	G	96.6	Very high	96.4	Very high	0 Å²	0	67.1 Å²	67.1	0%	0	34%	0.335	C	S	.	.	S	Bend	trans	-70.5	-30	179.2	0	0	0	0	0	113.8	D30 K108	D30-G32 PolarHBondContact O-N 2.73Å; D30-G32 VanDerWaalsContact O-N 3.16Å; D30-G32 WeakPolarHBondContact OD1-CA 3.4Å; D30-G32 PolarHBondContact OD1-N 3.27Å; G32-K108 PolarHBondContact O-N 3.31Å
33	V	98.2	Very high	96.3	Very high	0 Å²	0	69.3 Å²	69.3	0%	0	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	109.4	178.1	-170.9	0	0	0	0	108	I25 T26 R31 A89 I92 L105 L106 Y111	I25-V33 HydrophobicContact CD1-CG1 3.83Å; I25-V33 HydrophobicContact CG1-CB 4.09Å; I25-V33 HydrophobicContact CG1-CG1 3.86Å; I25-V33 WeakPolarHBondContact CG1-O 3.3Å; I25-V33 PolarHBondContact N-O 3.16Å; T26-V33 HydrophobicContact CG2-CB 3.84Å; T26-V33 HydrophobicContact CG2-CG2 3.85Å; R31-V33 VanDerWaalsContact C-N 3.34Å; V33-A89 HydrophobicContact CG1-CB 4.2Å; V33-A89 HydrophobicContact CG2-CB 3.73Å; V33-I92 HydrophobicContact CG2-CD1 4.32Å; V33-L105 HydrophobicContact CG1-CD2 4.41Å; V33-L106 WeakPolarHBondContact CA-O 3.39Å; V33-Y111 HydrophobicContact CG2-CD1 3.87Å; V33-Y111 HydrophobicContact CG2-CD2 4.44Å; V33-Y111 HydrophobicContact CG2-CG 3.82Å
34	L	98.1	Very high	96	Very high	7 Å²	7	70.8 Å²	70.8	4%	0.037	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	135.9	176.4	-58.7	179	0	0	0	110	V18 E23 D24 R31 L105 L106	V18-L34 HydrophobicContact CG2-CB 4.15Å; E23-L34 CarbonylContact O-C 3.56Å; E23-L34 VanDerWaalsContact O-CA 3.3Å; E23-L34 WeakPolarHBondContact O-CA 3.48Å; D24-L34 HydrophobicContact CB-CD2 3.82Å; R31-L34 HydrophobicContact CB-CD2 3.97Å; R31-L34 HydrophobicContact CG-CD2 4.23Å; L34-L105 CarbonylContact O-C 3.55Å; L34-L105 VanDerWaalsContact O-CA 3.32Å; L34-L105 WeakPolarHBondContact O-CA 2.99Å; L34-L106 HydrophobicContact CB-CB 4.28Å; L34-L106 HydrophobicContact CD1-CD2 4.4Å; L34-L106 PolarHBondContact N-O 3.08Å; L34-L106 PolarHBondContact O-N 2.9Å
35	K	98.2	Very high	95.9	Very high	14 Å²	14	75.7 Å²	75.7	6%	0.061	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	141.4	-178.6	-176.5	-178	178.2	-167.6	0	111.5	G22 E23 I25 T96 E101 C103 H104 L105	G22-K35 CarbonylContact C-O 3.51Å; G22-K35 WeakPolarHBondContact CA-O 3.38Å; E23-K35 PolarHBondContact N-O 3.05Å; E23-K35 PolarHBondContact O-N 3.08Å; I25-K35 HydrophobicContact CD1-CB 4.09Å; I25-K35 HydrophobicContact CD1-CD 4.36Å; I25-K35 HydrophobicContact CG2-CB 4.24Å; K35-T96 WeakPolarHBondContact CD-OG1 3.41Å; K35-T96 PolarHBondContact NZ-O 3.32Å; K35-T96 PolarHBondContact NZ-OG1 3.4Å; K35-E101 WeakPolarHBondContact CE-OE1 3.47Å; K35-E101 IonicContact NZ-OE1 3.97Å; K35-E101 PolarHBondContact NZ-OE1 2.8Å; K35-E101 IonicContact NZ-OE2 2.95Å; K35-C103 HydrophobicContact CD-CB 4.47Å; K35-C103 HydrophobicContact CG-CB 4.13Å; K35-H104 WeakPolarHBondContact CA-O 3.38Å; K35-L105 HydrophobicContact CB-CD2 3.63Å; K35-L105 HydrophobicContact CD-CD2 4.32Å; K35-L105 HydrophobicContact CG-CD2 3.72Å
36	I	97.6	Very high	95.8	Very high	46 Å²	46	77.1 Å²	77.1	24%	0.236	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	133.8	163	-168	169.1	0	0	0	109.6	T17 V18 C103 H104	T17-I36 HydrophobicContact CG2-CD1 4.06Å; V18-I36 HydrophobicContact CB-CG2 3.89Å; V18-I36 HydrophobicContact CG2-CB 4.47Å; V18-I36 HydrophobicContact CG2-CG2 3.97Å; I36-C103 CarbonylContact O-C 3.53Å; I36-C103 WeakPolarHBondContact O-CA 3.41Å; I36-C103 WeakPolarHBondContact O-CB 3.24Å; I36-H104 HydrophobicContact CG2-CB 3.76Å; I36-H104 PolarHBondContact N-O 2.9Å; I36-H104 PolarHBondContact O-N 3.18Å
37	V	97.5	Very high	95.8	Very high	66 Å²	66	77.3 Å²	77.3	40%	0.4	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	122.3	-179.7	179.6	0	0	0	0	109.2	V40 E101	V37-V40 HydrophobicContact CG1-CG2 4.27Å; V37-E101 HydrophobicContact CG1-CG 4.02Å
38	K	96.5	Very high	95.9	Very high	126 Å²	126	73.8 Å²	73.8	55%	0.548	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	-40.7	176.4	-177.2	-171	-175.8	-173.5	0	111.7	I102 E131	K38-I102 WeakPolarHBondContact CA-O 3.47Å; K38-I102 HydrophobicContact CB-CB 4.44Å; K38-I102 HydrophobicContact CB-CG2 4.22Å; K38-I102 WeakPolarHBondContact CB-O 3.43Å; K38-I102 HydrophobicContact CD-CG2 3.98Å; K38-I102 PolarHBondContact N-O 2.96Å; K38-E131 IonicContact NZ-OE2 3.74Å; K38-E131 PolarHBondContact NZ-OE2 3.4Å
39	R	97.3	Very high	96	Very high	115 Å²	115	68.3 Å²	68.3	43%	0.434	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	126.2	175.1	-171.9	178.9	70.7	-159.3	-1.5	108.3	G100 E101 I102 E133	R39-G100 PolarHBondContact NE-O 3.27Å; R39-G100 PolarHBondContact NH2-O 3.28Å; R39-E101 CarbonylContact O-C 3.52Å; R39-E101 WeakPolarHBondContact O-CA 3.45Å; R39-E101 VanDerWaalsContact O-CG 3.3Å; R39-E101 WeakPolarHBondContact O-CG 3.43Å; R39-I102 HydrophobicContact CB-CB 3.99Å; R39-I102 HydrophobicContact CB-CD1 4.39Å; R39-I102 HydrophobicContact CB-CG1 4.18Å; R39-I102 PolarHBondContact N-O 3.35Å; R39-I102 PolarHBondContact O-N 2.86Å; R39-E133 IonicContact CZ-OE1 2.67Å; R39-E133 IonicContact NH1-OE1 3.6Å; R39-E133 IonicContact NH2-OE1 3.02Å; R39-E133 PolarHBondContact NH2-OE1 3.47Å
40	V	96.8	Very high	95.9	Very high	108 Å²	108	62 Å²	62	66%	0.655	32%	0.32	S	S	*	.			trans	-69.4	141.8	178.7	-166.5	0	0	0	0	109.5	V37	V37-V40 HydrophobicContact CG1-CG2 4.27Å
41	G	93.9	Very high	96	Very high	10 Å²	10	59 Å²	59	10%	0.103	31%	0.305	C	S	.	.			trans	-82.2	179.5	171.1	0	0	0	0	0	112.9	K99	G41-K99 CarbonylContact C-O 3.58Å; G41-K99 WeakPolarHBondContact CA-O 3.4Å
42	N	91.8	Very high	96	Very high	137 Å²	137	57.7 Å²	57.7	73%	0.733	30%	0.302	S	S	*	.	B	Isolated β-bridge	trans	-105.9	153.4	175.8	-61.3	-42.2	0	0	0	110.7	K99	N42-K99 PolarHBondContact N-O 2.89Å
43	G	91.1	Very high	96.1	Very high	53 Å²	53	57.7 Å²	57.7	55%	0.546	30%	0.302	S	S	.	.	S	Bend	trans	77.5	174	-178.9	0	0	0	0	0	113.5	K98	G43-K98 VanDerWaalsContact O-CD 3.26Å; G43-K98 WeakPolarHBondContact O-CD 2.99Å; G43-K98 WeakPolarHBondContact O-CE 3.21Å; G43-K98 PolarHBondContact O-NZ 2.88Å
44	E	90.8	Very high	96.1	Very high	158 Å²	158	60.4 Å²	60.4	74%	0.738	31%	0.312	S	S	*	.	S	Bend	trans	-106.4	-9.2	178.4	-66.9	-55.2	130	0	0	113.2	K98	E44-K98 IonicContact OE1-NZ 2.83Å; E44-K98 PolarHBondContact OE1-NZ 3.44Å; E44-K98 IonicContact OE2-NZ 2.99Å; E44-K98 PolarHBondContact OE2-NZ 3.4Å
45	E	94.2	Very high	96.1	Very high	127 Å²	127	60 Å²	60	59%	0.593	31%	0.311	S	S	*	.			trans	-76.2	140	178.3	-71	-177	-149.2	0	0	112.5	F137	E45-F137 HydrophobicContact CB-CZ 3.87Å
46	T	96.6	Very high	96	Very high	54 Å²	54	60.8 Å²	60.8	33%	0.331	31%	0.314	S	S	.	.			trans	-118.7	155	171.3	62.1	0	0	0	0	109.9	A95 K98 R151	T46-A95 WeakPolarHBondContact CB-O 3.46Å; T46-K98 HydrophobicContact CG2-CG 4.45Å; T46-R151 PolarHBondContact O-NH2 3.09Å; T46-R151 VanDerWaalsContact O-NH2 3.14Å
47	P	97.4	Very high	96	Very high	4 Å²	4	59.4 Å²	59.4	3%	0.026	31%	0.306	C	S	.	.			trans	-67.6	143.6	177.9	28.7	-33.9	0	0	0	111.2	D51 V53 L81 V94 M97 L134 F137	P47-D51 WeakPolarHBondContact CA-OD2 3.37Å; P47-D51 HydrophobicContact CB-CB 4.39Å; P47-V53 HydrophobicContact CB-CG2 3.85Å; P47-V53 HydrophobicContact CG-CG2 4.45Å; P47-L81 HydrophobicContact CB-CD2 3.7Å; P47-L81 HydrophobicContact CG-CD2 3.82Å; P47-V94 HydrophobicContact CG-CG1 4.27Å; P47-V94 VanDerWaalsContact CG-O 3.23Å; P47-V94 WeakPolarHBondContact CG-O 3.38Å; P47-M97 WeakPolarHBondContact CD-O 3.45Å; P47-L134 HydrophobicContact CG-CD2 4.17Å; P47-F137 HydrophobicContact CB-CB 4Å; P47-F137 HydrophobicContact CB-CD1 4.23Å; P47-F137 HydrophobicContact CB-CD2 4.24Å; P47-F137 HydrophobicContact CB-CG 3.89Å
48	M	97	Very high	95.9	Very high	45 Å²	45	59.7 Å²	59.7	22%	0.222	30%	0.302	C	S	.	.			trans	-107.5	171.1	-178.5	-66.1	176.4	69.4	0	0	111.3	G50 D51 R151 K153 I216	M48-G50 PolarHBondContact O-N 2.92Å; M48-D51 PolarHBondContact N-OD2 3.41Å; M48-D51 WeakPolarHBondContact O-CB 3.24Å; M48-D51 PolarHBondContact O-N 3.43Å; M48-R151 HydrophobicContact CE-CB 4.19Å; M48-R151 HydrophobicContact SD-CB 3.84Å; M48-K153 HydrophobicContact CE-CB 4.22Å; M48-K153 HydrophobicContact CE-CG 3.44Å; M48-K153 VanDerWaalsContact CE-CG 3.44Å; M48-I216 HydrophobicContact CE-CD1 4.41Å
49	I	96.7	Very high	95.8	Very high	50 Å²	50	53.7 Å²	53.7	26%	0.256	28%	0.276	S	S	.	.	B	Isolated β-bridge	trans	-59.3	132.7	176.9	-59.2	170.9	0	0	0	109	D51 T152 K155	I49-D51 VanDerWaalsContact C-N 3.33Å; I49-T152 HydrophobicContact CB-CG2 4.43Å; I49-T152 HydrophobicContact CG2-CG2 4.4Å; I49-T152 VanDerWaalsContact O-CB 3.29Å; I49-T152 WeakPolarHBondContact O-CB 3.43Å; I49-T152 PolarHBondContact O-N 3.19Å; I49-K155 HydrophobicContact CD1-CG 4.1Å; I49-K155 HydrophobicContact CG2-CD 4.41Å; I49-K155 HydrophobicContact CG2-CG 3.98Å
50	G	94.9	Very high	95.6	Very high	4 Å²	4	52 Å²	52	4%	0.041	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	90.8	-16.9	-180	0	0	0	0	0	114.6	M48 L81	M48-G50 PolarHBondContact O-N 2.92Å; G50-L81 PolarHBondContact N-O 3.21Å
51	D	97.8	Very high	95.4	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.245	C	C	.	.			trans	-58.4	142.3	179.9	-76.6	-6.4	0	0	0	112.5	P47 M48 I49 V53 S80 L81 K138 G139 R151	P47-D51 WeakPolarHBondContact CA-OD2 3.37Å; P47-D51 HydrophobicContact CB-CB 4.39Å; M48-D51 PolarHBondContact N-OD2 3.41Å; M48-D51 WeakPolarHBondContact O-CB 3.24Å; M48-D51 PolarHBondContact O-N 3.43Å; I49-D51 VanDerWaalsContact C-N 3.33Å; D51-V53 HydrophobicContact CB-CG2 4.14Å; D51-V53 PolarHBondContact O-N 2.97Å; D51-S80 CarbonylContact O-C 3.55Å; D51-S80 VanDerWaalsContact O-CA 3.31Å; D51-S80 WeakPolarHBondContact O-CA 3.34Å; D51-L81 PolarHBondContact O-N 2.97Å; D51-K138 CarbonylContact C-O 3.49Å; D51-K138 VanDerWaalsContact CA-O 3.31Å; D51-K138 WeakPolarHBondContact CA-O 3.47Å; D51-K138 WeakPolarHBondContact CB-O 3.21Å; D51-G139 WeakPolarHBondContact OD1-CA 3.47Å; D51-R151 VanDerWaalsContact CG-CZ 3.42Å; D51-R151 WeakPolarHBondContact OD1-CD 3.43Å; D51-R151 IonicContact OD1-CZ 3.56Å; D51-R151 VanDerWaalsContact OD1-CZ 3.28Å; D51-R151 IonicContact OD1-NE 2.67Å; D51-R151 PolarHBondContact OD1-NE 3.44Å; D51-R151 IonicContact OD1-NH1 2.9Å; D51-R151 PolarHBondContact OD1-NH1 3.02Å; D51-R151 VanDerWaalsContact OD1-NH1 3.1Å; D51-R151 IonicContact OD2-CZ 3.51Å; D51-R151 IonicContact OD2-NE 3.4Å; D51-R151 PolarHBondContact OD2-NE 3.5Å; D51-R151 IonicContact OD2-NH1 2.73Å; D51-R151 PolarHBondContact OD2-NH1 2.95Å; D51-R151 IonicContact OD2-NH2 2.86Å; D51-R151 PolarHBondContact OD2-NH2 2.96Å
52	K	97.6	Very high	94.8	Very high	87 Å²	87	51.8 Å²	51.8	38%	0.378	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	112.5	166.8	-172.3	170.6	-78.4	171.8	0	108.4	Y54 V78 F137 K138	K52-Y54 HydrophobicContact CG-CE2 4.06Å; K52-V78 HydrophobicContact CD-CG1 3.98Å; K52-V78 HydrophobicContact CG-CG1 3.54Å; K52-F137 CarbonylContact O-C 3.56Å; K52-F137 VanDerWaalsContact O-CA 3.31Å; K52-F137 WeakPolarHBondContact O-CA 3.39Å; K52-K138 PolarHBondContact N-O 3.01Å; K52-K138 PolarHBondContact O-N 3.16Å
53	V	98	Very high	94.2	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	136.8	-173.8	176.5	0	0	0	0	110.6	P47 D51 V55 V78 F79 L81 V94 L134 F137	P47-V53 HydrophobicContact CB-CG2 3.85Å; P47-V53 HydrophobicContact CG-CG2 4.45Å; D51-V53 HydrophobicContact CB-CG2 4.14Å; D51-V53 PolarHBondContact O-N 2.97Å; V53-V55 HydrophobicContact CG1-CG1 3.8Å; V53-V78 VanDerWaalsContact O-CA 3.31Å; V53-V78 WeakPolarHBondContact O-CA 3.45Å; V53-F79 HydrophobicContact CB-CE1 4.32Å; V53-F79 HydrophobicContact CB-CZ 4.36Å; V53-F79 HydrophobicContact CG1-CE1 4.21Å; V53-F79 HydrophobicContact CG1-CZ 4.32Å; V53-F79 PolarHBondContact N-O 2.8Å; V53-F79 PolarHBondContact O-N 3.38Å; V53-F79 VanDerWaalsContact O-N 3.14Å; V53-L81 HydrophobicContact CG2-CB 3.84Å; V53-L81 HydrophobicContact CG2-CD2 4.39Å; V53-V94 HydrophobicContact CG1-CG1 3.72Å; V53-L134 HydrophobicContact CG1-CD1 3.43Å; V53-L134 VanDerWaalsContact CG1-CD1 3.43Å; V53-F137 HydrophobicContact CG2-CB 4.1Å
54	Y	97.9	Very high	93.9	Very high	57 Å²	57	50.1 Å²	50.1	22%	0.224	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	116.3	-178.1	-58.6	-103.4	0	0	0	109	K52 V78 L135 D136 K138	K52-Y54 HydrophobicContact CG-CE2 4.06Å; Y54-V78 HydrophobicContact CD1-CB 4.41Å; Y54-V78 HydrophobicContact CD1-CG1 4.1Å; Y54-V78 HydrophobicContact CD1-CG2 3.44Å; Y54-V78 VanDerWaalsContact CD1-CG2 3.44Å; Y54-V78 HydrophobicContact CE1-CG1 3.92Å; Y54-V78 HydrophobicContact CE1-CG2 3.76Å; Y54-V78 HydrophobicContact CG-CG2 4.26Å; Y54-L135 WeakPolarHBondContact O-CB 3.02Å; Y54-L135 PolarHBondContact O-N 3.43Å; Y54-D136 WeakPolarHBondContact CB-O 3.28Å; Y54-D136 HydrophobicContact CD2-CB 3.98Å; Y54-D136 WeakPolarHBondContact CD2-O 3.33Å; Y54-D136 HydrophobicContact CG-CB 4.26Å; Y54-D136 PolarHBondContact N-O 3.48Å; Y54-D136 PolarHBondContact O-N 2.86Å; Y54-K138 HydrophobicContact CE2-CD 4.2Å; Y54-K138 HydrophobicContact CE2-CG 4.2Å
55	V	98	Very high	93.8	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	149.9	-176.6	-66.1	0	0	0	0	113.2	V53 F77 F79 W90 I132 E133 L134	V53-V55 HydrophobicContact CG1-CG1 3.8Å; V55-F77 HydrophobicContact CG2-CB 4.23Å; V55-F77 HydrophobicContact CG2-CD1 4.06Å; V55-F77 WeakPolarHBondContact CG2-O 3.01Å; V55-F77 PolarHBondContact N-O 2.88Å; V55-F77 PolarHBondContact O-N 2.64Å; V55-F79 HydrophobicContact CG1-CE1 4.42Å; V55-F79 HydrophobicContact CG2-CD1 4.39Å; V55-F79 HydrophobicContact CG2-CE1 3.87Å; V55-W90 HydrophobicContact CG2-CH2 4.38Å; V55-W90 HydrophobicContact CG2-CZ3 3.91Å; V55-I132 HydrophobicContact CB-CG2 4.11Å; V55-I132 HydrophobicContact CG1-CG2 3.96Å; V55-E133 CarbonylContact C-O 3.56Å; V55-E133 WeakPolarHBondContact CA-O 3.39Å; V55-E133 WeakPolarHBondContact CB-O 3.41Å; V55-L134 HydrophobicContact CG1-CD1 4.08Å
56	H	97.7	Very high	93.8	Very high	30 Å²	30	48.1 Å²	48.1	14%	0.139	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	148.5	153	-89.8	-48.5	0	0	0	110.1	S70 H71 I132 E133	H56-S70 WeakPolarHBondContact CA-OG 3.49Å; H56-S70 PolarHBondContact ND1-OG 2.87Å; H56-H71 AromaticContact CD2-CE1 3.93Å; H56-H71 AromaticContact CG-CE1 3.64Å; H56-H71 AromaticContact CG-ND1 3.97Å; H56-I132 CarbonylContact O-C 3.47Å; H56-I132 WeakPolarHBondContact O-CA 3.35Å; H56-E133 HydrophobicContact CB-CB 4.15Å; H56-E133 PolarHBondContact N-O 3.36Å; H56-E133 PolarHBondContact O-N 3.38Å
57	Y	96.4	Very high	93.4	Very high	17 Å²	17	47.2 Å²	47.2	7%	0.067	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152	159.4	178.1	74.7	-80.5	0	0	0	113.7	D68 S69 S70 R73 F77 W90 F130 E131	Y57-D68 HydrophobicContact CE2-CB 4.23Å; Y57-D68 VanDerWaalsContact OH-CG 3.25Å; Y57-D68 PolarHBondContact OH-OD2 3.02Å; Y57-S69 WeakPolarHBondContact O-CA 3.5Å; Y57-S70 PolarHBondContact N-OG 3.01Å; Y57-S70 PolarHBondContact O-N 2.68Å; Y57-S70 PolarHBondContact O-OG 3.23Å; Y57-R73 PolarHBondContact OH-NH2 3.43Å; Y57-F77 HydrophobicContact CD1-CB 4.3Å; Y57-F77 HydrophobicContact CE1-CB 3.91Å; Y57-F77 HydrophobicContact CE1-CD1 4.33Å; Y57-F77 HydrophobicContact CE1-CG 4.27Å; Y57-W90 AromaticContact CD1-CH2 3.62Å; Y57-W90 HydrophobicContact CD1-CH2 3.62Å; Y57-W90 HydrophobicContact CD1-CZ2 4.4Å; Y57-W90 AromaticContact CD2-CH2 3.9Å; Y57-W90 HydrophobicContact CD2-CH2 3.9Å; Y57-W90 AromaticContact CD2-CZ2 3.85Å; Y57-W90 HydrophobicContact CD2-CZ2 3.85Å; Y57-W90 HydrophobicContact CE1-CH2 4.18Å; Y57-W90 HydrophobicContact CE2-CH2 4.45Å; Y57-W90 AromaticContact CG-CH2 3.46Å; Y57-W90 HydrophobicContact CG-CH2 3.46Å; Y57-W90 VanDerWaalsContact CG-CH2 3.46Å; Y57-W90 AromaticContact CG-CZ2 3.8Å; Y57-W90 HydrophobicContact CG-CZ2 3.8Å; Y57-F130 HydrophobicContact CD2-CD1 4.21Å; Y57-F130 HydrophobicContact CD2-CE1 4.26Å; Y57-E131 CarbonylContact C-O 3.49Å; Y57-E131 WeakPolarHBondContact CA-O 3.2Å; Y57-E131 WeakPolarHBondContact CB-O 3.48Å
58	K	95.8	Very high	93	Very high	71 Å²	71	49.2 Å²	49.2	31%	0.309	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	126.5	164.9	-60.6	173.5	-166.9	143.4	0	109.5	F130 E131	K58-F130 WeakPolarHBondContact O-CA 3.4Å; K58-E131 HydrophobicContact CB-CB 4.47Å; K58-E131 PolarHBondContact N-O 3.13Å; K58-E131 IonicContact NZ-OE1 2.9Å; K58-E131 PolarHBondContact NZ-OE1 3.05Å; K58-E131 PolarHBondContact O-N 3.06Å
59	G	94.8	Very high	92.8	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	131.2	175.7	0	0	0	0	0	112.3	K66 F67 D68 F129	G59-K66 WeakPolarHBondContact O-CA 3.33Å; G59-F67 WeakPolarHBondContact O-CD1 3.45Å; G59-F67 PolarHBondContact O-N 2.8Å; G59-D68 PolarHBondContact N-O 3.49Å; G59-F129 WeakPolarHBondContact CA-O 3.41Å
60	K	93.6	Very high	92.5	Very high	81 Å²	81	44.7 Å²	44.7	35%	0.352	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	145.1	175.6	-63.6	179.7	179.3	179.1	0	111.6	K65 F67 F129	K60-K65 WeakPolarHBondContact CA-O 3.44Å; K60-F67 VanDerWaalsContact C-CE1 3.48Å; K60-F67 VanDerWaalsContact N-CE1 3.27Å; K60-F67 WeakPolarHBondContact O-CE1 3.12Å; K60-F129 HydrophobicContact CB-CB 4.42Å; K60-F129 HydrophobicContact CB-CD1 4.22Å; K60-F129 HydrophobicContact CD-CD1 4.31Å; K60-F129 PolarHBondContact N-O 3.37Å; K60-F129 PolarHBondContact O-N 2.95Å
61	L	90.8	Very high	92	Very high	17 Å²	17	47.6 Å²	47.6	9%	0.089	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	168.8	169.2	-64.9	176.2	0	0	0	110.6	N63 G64 K65 F67 I122 L128	L61-N63 WeakPolarHBondContact CB-OD1 3.5Å; L61-N63 PolarHBondContact O-N 3.17Å; L61-N63 VanDerWaalsContact O-N 3.17Å; L61-G64 WeakPolarHBondContact O-CA 3.32Å; L61-G64 PolarHBondContact O-N 3.1Å; L61-K65 PolarHBondContact N-O 3.41Å; L61-F67 HydrophobicContact CD2-CD1 4Å; L61-F67 HydrophobicContact CD2-CE1 4.45Å; L61-F67 HydrophobicContact CG-CD1 3.97Å; L61-I122 HydrophobicContact CD2-CD1 4.04Å; L61-L128 HydrophobicContact CD2-CD2 3.7Å
62	S	81.3	Confident	91.3	Very high	96 Å²	96	52.3 Å²	52.3	67%	0.671	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-29.8	176.6	54.3	0	0	0	0	114.1	G64	S62-G64 PolarHBondContact O-N 3.36Å
63	N	80.9	Confident	90.8	Very high	117 Å²	117	53.6 Å²	53.6	63%	0.626	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	6.6	174	68.4	3.4	0	0	0	114	L61 K65	L61-N63 WeakPolarHBondContact CB-OD1 3.5Å; L61-N63 PolarHBondContact O-N 3.17Å; L61-N63 VanDerWaalsContact O-N 3.17Å; N63-K65 VanDerWaalsContact C-N 3.28Å; N63-K65 PolarHBondContact O-N 3.49Å; N63-K65 WeakPolarHBondContact OD1-CB 3.38Å; N63-K65 PolarHBondContact OD1-N 2.83Å
64	G	84.4	Confident	90.2	Very high	38 Å²	38	60.7 Å²	60.7	39%	0.392	30%	0.304	S	S	.	.	S	Bend	trans	81.7	-6.4	-179.5	0	0	0	0	0	115.3	L61 S62 K66	L61-G64 WeakPolarHBondContact O-CA 3.32Å; L61-G64 PolarHBondContact O-N 3.1Å; S62-G64 PolarHBondContact O-N 3.36Å; G64-K66 PolarHBondContact O-N 3.36Å
65	K	89.2	Confident	89.9	Confident	143 Å²	143	64.6 Å²	64.6	62%	0.622	32%	0.324	S	S	*	.			trans	-65.5	121.5	-179.6	-174.6	179.6	178.4	-178.6	0	110.5	K60 L61 N63 F67	K60-K65 WeakPolarHBondContact CA-O 3.44Å; L61-K65 PolarHBondContact N-O 3.41Å; N63-K65 VanDerWaalsContact C-N 3.28Å; N63-K65 PolarHBondContact O-N 3.49Å; N63-K65 WeakPolarHBondContact OD1-CB 3.38Å; N63-K65 PolarHBondContact OD1-N 2.83Å; K65-F67 PolarHBondContact O-N 2.99Å
66	K	92.3	Very high	89.8	Confident	100 Å²	100	67.5 Å²	67.5	44%	0.435	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	125.1	170.2	-174	178.5	70.5	165	0	109.3	G59 G64 D72	G59-K66 WeakPolarHBondContact O-CA 3.33Å; G64-K66 PolarHBondContact O-N 3.36Å; K66-D72 WeakPolarHBondContact CE-OD2 3.49Å; K66-D72 IonicContact NZ-OD1 3.01Å; K66-D72 PolarHBondContact NZ-OD1 3.21Å; K66-D72 IonicContact NZ-OD2 2.66Å; K66-D72 PolarHBondContact NZ-OD2 3.01Å
67	F	89.9	Confident	89.7	Confident	34 Å²	34	69.4 Å²	69.4	15%	0.149	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	-25.6	177.4	64.7	-102.3	0	0	0	113.1	G59 K60 L61 K65 I122 L128 F130	G59-F67 WeakPolarHBondContact O-CD1 3.45Å; G59-F67 PolarHBondContact O-N 2.8Å; K60-F67 VanDerWaalsContact C-CE1 3.48Å; K60-F67 VanDerWaalsContact N-CE1 3.27Å; K60-F67 WeakPolarHBondContact O-CE1 3.12Å; L61-F67 HydrophobicContact CD2-CD1 4Å; L61-F67 HydrophobicContact CD2-CE1 4.45Å; L61-F67 HydrophobicContact CG-CD1 3.97Å; K65-F67 PolarHBondContact O-N 2.99Å; F67-I122 HydrophobicContact CB-CD1 4.25Å; F67-I122 HydrophobicContact CD1-CD1 3.88Å; F67-I122 HydrophobicContact CD2-CD1 3.57Å; F67-I122 HydrophobicContact CE1-CD1 4.03Å; F67-I122 HydrophobicContact CE2-CD1 3.76Å; F67-I122 HydrophobicContact CG-CD1 3.63Å; F67-I122 HydrophobicContact CZ-CD1 3.98Å; F67-L128 HydrophobicContact CE1-CD2 3.95Å; F67-L128 HydrophobicContact CZ-CD1 4.24Å; F67-L128 HydrophobicContact CZ-CD2 4.35Å; F67-F130 HydrophobicContact CE2-CE1 4.2Å; F67-F130 HydrophobicContact CE2-CZ 4.23Å; F67-F130 AromaticContact CZ-CE1 3.73Å; F67-F130 HydrophobicContact CZ-CE1 3.73Å; F67-F130 HydrophobicContact CZ-CE2 4.36Å; F67-F130 AromaticContact CZ-CZ 3.59Å; F67-F130 HydrophobicContact CZ-CZ 3.59Å
68	D	88.6	Confident	89.8	Confident	46 Å²	46	71.4 Å²	71.4	25%	0.246	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.3	152.2	177.2	-168.3	17	0	0	0	111.1	Y57 G59 R73	Y57-D68 HydrophobicContact CE2-CB 4.23Å; Y57-D68 VanDerWaalsContact OH-CG 3.25Å; Y57-D68 PolarHBondContact OH-OD2 3.02Å; G59-D68 PolarHBondContact N-O 3.49Å; D68-R73 IonicContact OD1-CZ 2.71Å; D68-R73 IonicContact OD1-NH1 2.67Å; D68-R73 PolarHBondContact OD1-NH1 3.41Å
69	S	92.6	Very high	89.8	Confident	1 Å²	1	68.2 Å²	68.2	1%	0.007	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.5	127.5	-179.5	165.3	0	0	0	0	110.2	Y57 H71 D72 R73	Y57-S69 WeakPolarHBondContact O-CA 3.5Å; S69-H71 VanDerWaalsContact C-N 3.34Å; S69-H71 PolarHBondContact OG-N 3.03Å; S69-D72 WeakPolarHBondContact CB-OD1 3.19Å; S69-D72 PolarHBondContact O-N 3.36Å; S69-D72 PolarHBondContact OG-OD1 2.65Å; S69-R73 PolarHBondContact O-NH1 3.36Å
70	S	90.7	Very high	89.9	Confident	0 Å²	0	69.7 Å²	69.7	0%	0	36%	0.361	C	S	.	.	G	3₁₀ helix	trans	-70.9	-28.3	172.3	58.5	0	0	0	0	113.1	H56 Y57 D72 R73 N74	H56-S70 WeakPolarHBondContact CA-OG 3.49Å; H56-S70 PolarHBondContact ND1-OG 2.87Å; Y57-S70 PolarHBondContact N-OG 3.01Å; Y57-S70 PolarHBondContact O-N 2.68Å; Y57-S70 PolarHBondContact O-OG 3.23Å; S70-D72 PolarHBondContact O-N 3.1Å; S70-R73 PolarHBondContact O-N 3.24Å; S70-N74 PolarHBondContact O-N 3.27Å
71	H	83.7	Confident	90.1	Very high	65 Å²	65	66 Å²	66	30%	0.301	35%	0.345	S	S	.	.	G	3₁₀ helix	trans	-64.5	-23	177	-67	-81.3	0	0	0	112.4	H56 S69 R73 N74	H56-H71 AromaticContact CD2-CE1 3.93Å; H56-H71 AromaticContact CG-CE1 3.64Å; H56-H71 AromaticContact CG-ND1 3.97Å; S69-H71 VanDerWaalsContact C-N 3.34Å; S69-H71 PolarHBondContact OG-N 3.03Å; H71-R73 PolarHBondContact O-N 3.05Å; H71-N74 PolarHBondContact O-N 3.42Å; H71-N74 PolarHBondContact O-OD1 3.18Å
72	D	83.2	Confident	90.3	Very high	98 Å²	98	65.6 Å²	65.6	52%	0.524	35%	0.345	S	S	.	.	G	3₁₀ helix	trans	-72.4	-15.6	176.3	-57.7	2.4	0	0	0	111.5	K66 S69 S70	K66-D72 WeakPolarHBondContact CE-OD2 3.49Å; K66-D72 IonicContact NZ-OD1 3.01Å; K66-D72 PolarHBondContact NZ-OD1 3.21Å; K66-D72 IonicContact NZ-OD2 2.66Å; K66-D72 PolarHBondContact NZ-OD2 3.01Å; S69-D72 WeakPolarHBondContact CB-OD1 3.19Å; S69-D72 PolarHBondContact O-N 3.36Å; S69-D72 PolarHBondContact OG-OD1 2.65Å; S70-D72 PolarHBondContact O-N 3.1Å
73	R	86.1	Confident	90.8	Very high	115 Å²	115	65.9 Å²	65.9	43%	0.434	33%	0.334	S	S	.	.	G	3₁₀ helix	trans	-104.5	-7.2	-179.4	-61.5	-174.3	-69.5	-93.5	8.1	113.5	Y57 D68 S69 S70 H71 E75	Y57-R73 PolarHBondContact OH-NH2 3.43Å; D68-R73 IonicContact OD1-CZ 2.71Å; D68-R73 IonicContact OD1-NH1 2.67Å; D68-R73 PolarHBondContact OD1-NH1 3.41Å; S69-R73 PolarHBondContact O-NH1 3.36Å; S70-R73 PolarHBondContact O-N 3.24Å; H71-R73 PolarHBondContact O-N 3.05Å; R73-E75 PolarHBondContact O-N 3.05Å
74	N	86.4	Confident	91.4	Very high	148 Å²	148	65.1 Å²	65.1	79%	0.791	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.3	17.9	-173.7	-64.9	-37.8	0	0	0	115.2	S70 H71	S70-N74 PolarHBondContact O-N 3.27Å; H71-N74 PolarHBondContact O-N 3.42Å; H71-N74 PolarHBondContact O-OD1 3.18Å
75	E	91.6	Very high	91.8	Very high	140 Å²	140	68.9 Å²	68.9	65%	0.654	35%	0.345	S	S	*	.	S	Bend	trans	-128.7	137.9	178.7	-70.6	-180	175.6	0	0	109.9	R73	R73-E75 PolarHBondContact O-N 3.05Å
76	P	95.1	Very high	92.2	Very high	60 Å²	60	63.2 Å²	63.2	39%	0.39	32%	0.323	S	S	.	.			trans	-68.5	147.6	176.4	30.3	-34.9	0	0	0	110.5	L135	P76-L135 HydrophobicContact CB-CD1 3.59Å
77	F	97.1	Very high	92.4	Very high	70 Å²	70	59.4 Å²	59.4	31%	0.307	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	128.6	170.6	176.5	-120.9	0	0	0	109.5	V55 Y57 F79 V86 W90	V55-F77 HydrophobicContact CG2-CB 4.23Å; V55-F77 HydrophobicContact CG2-CD1 4.06Å; V55-F77 WeakPolarHBondContact CG2-O 3.01Å; V55-F77 PolarHBondContact N-O 2.88Å; V55-F77 PolarHBondContact O-N 2.64Å; Y57-F77 HydrophobicContact CD1-CB 4.3Å; Y57-F77 HydrophobicContact CE1-CB 3.91Å; Y57-F77 HydrophobicContact CE1-CD1 4.33Å; Y57-F77 HydrophobicContact CE1-CG 4.27Å; F77-F79 AromaticContact CD1-CD1 3.76Å; F77-F79 HydrophobicContact CD1-CD1 3.76Å; F77-F79 HydrophobicContact CD1-CE1 4.34Å; F77-F79 HydrophobicContact CE1-CB 4.02Å; F77-F79 AromaticContact CE1-CD1 3.5Å; F77-F79 HydrophobicContact CE1-CD1 3.5Å; F77-F79 HydrophobicContact CE1-CE1 4.25Å; F77-F79 AromaticContact CE1-CG 3.96Å; F77-F79 HydrophobicContact CE1-CG 3.96Å; F77-F79 HydrophobicContact CZ-CB 3.96Å; F77-F79 HydrophobicContact CZ-CD1 4.3Å; F77-F79 HydrophobicContact CZ-CG 4.4Å; F77-V86 HydrophobicContact CE1-CG1 3.82Å; F77-V86 HydrophobicContact CZ-CG1 4.22Å; F77-W90 HydrophobicContact CD1-CH2 4.49Å; F77-W90 AromaticContact CD1-CZ3 3.96Å; F77-W90 HydrophobicContact CD1-CZ3 3.96Å; F77-W90 HydrophobicContact CE1-CZ3 4.12Å
78	V	97.1	Very high	92.7	Very high	59 Å²	59	64.2 Å²	64.2	36%	0.358	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	128	-176.3	-171.9	0	0	0	0	109.6	K52 V53 Y54	K52-V78 HydrophobicContact CD-CG1 3.98Å; K52-V78 HydrophobicContact CG-CG1 3.54Å; V53-V78 VanDerWaalsContact O-CA 3.31Å; V53-V78 WeakPolarHBondContact O-CA 3.45Å; Y54-V78 HydrophobicContact CD1-CB 4.41Å; Y54-V78 HydrophobicContact CD1-CG1 4.1Å; Y54-V78 HydrophobicContact CD1-CG2 3.44Å; Y54-V78 VanDerWaalsContact CD1-CG2 3.44Å; Y54-V78 HydrophobicContact CE1-CG1 3.92Å; Y54-V78 HydrophobicContact CE1-CG2 3.76Å; Y54-V78 HydrophobicContact CG-CG2 4.26Å
79	F	97.3	Very high	93.2	Very high	5 Å²	5	62 Å²	62	2%	0.022	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	165.3	179.7	70.4	-81.7	0	0	0	111.7	V53 V55 F77 L81 V86 W90 V94	V53-F79 HydrophobicContact CB-CE1 4.32Å; V53-F79 HydrophobicContact CB-CZ 4.36Å; V53-F79 HydrophobicContact CG1-CE1 4.21Å; V53-F79 HydrophobicContact CG1-CZ 4.32Å; V53-F79 PolarHBondContact N-O 2.8Å; V53-F79 PolarHBondContact O-N 3.38Å; V53-F79 VanDerWaalsContact O-N 3.14Å; V55-F79 HydrophobicContact CG1-CE1 4.42Å; V55-F79 HydrophobicContact CG2-CD1 4.39Å; V55-F79 HydrophobicContact CG2-CE1 3.87Å; F77-F79 AromaticContact CD1-CD1 3.76Å; F77-F79 HydrophobicContact CD1-CD1 3.76Å; F77-F79 HydrophobicContact CD1-CE1 4.34Å; F77-F79 HydrophobicContact CE1-CB 4.02Å; F77-F79 AromaticContact CE1-CD1 3.5Å; F77-F79 HydrophobicContact CE1-CD1 3.5Å; F77-F79 HydrophobicContact CE1-CE1 4.25Å; F77-F79 AromaticContact CE1-CG 3.96Å; F77-F79 HydrophobicContact CE1-CG 3.96Å; F77-F79 HydrophobicContact CZ-CB 3.96Å; F77-F79 HydrophobicContact CZ-CD1 4.3Å; F77-F79 HydrophobicContact CZ-CG 4.4Å; F79-L81 HydrophobicContact CE2-CD1 4.04Å; F79-L81 HydrophobicContact CZ-CD1 4.46Å; F79-V86 HydrophobicContact CB-CG1 4.33Å; F79-V86 HydrophobicContact CD1-CG1 4.2Å; F79-V86 HydrophobicContact CD2-CB 4.45Å; F79-V86 HydrophobicContact CD2-CG1 3.63Å; F79-V86 HydrophobicContact CD2-CG2 3.94Å; F79-V86 HydrophobicContact CE1-CG1 4.44Å; F79-V86 HydrophobicContact CE2-CB 4.41Å; F79-V86 HydrophobicContact CE2-CG1 3.91Å; F79-V86 HydrophobicContact CE2-CG2 3.6Å; F79-V86 HydrophobicContact CG-CG1 3.79Å; F79-V86 HydrophobicContact CZ-CG1 4.3Å; F79-V86 HydrophobicContact CZ-CG2 4.29Å; F79-W90 HydrophobicContact CE1-CE3 4.06Å; F79-W90 HydrophobicContact CE1-CZ3 4.07Å; F79-W90 HydrophobicContact CZ-CE3 4.08Å; F79-V94 HydrophobicContact CZ-CG1 4.31Å; F79-V94 HydrophobicContact CZ-CG2 4.27Å
80	S	97.3	Very high	93.4	Very high	30 Å²	30	62.4 Å²	62.4	21%	0.21	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	118.6	174.9	-63	0	0	0	0	111.4	D51	D51-S80 CarbonylContact O-C 3.55Å; D51-S80 VanDerWaalsContact O-CA 3.31Å; D51-S80 WeakPolarHBondContact O-CA 3.34Å
81	L	97.6	Very high	93.8	Very high	3 Å²	3	63.6 Å²	63.6	2%	0.016	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	136.9	-175.1	-174.7	65.1	0	0	0	112.3	P47 G50 D51 V53 F79 K83 V94 A95	P47-L81 HydrophobicContact CB-CD2 3.7Å; P47-L81 HydrophobicContact CG-CD2 3.82Å; G50-L81 PolarHBondContact N-O 3.21Å; D51-L81 PolarHBondContact O-N 2.97Å; V53-L81 HydrophobicContact CG2-CB 3.84Å; V53-L81 HydrophobicContact CG2-CD2 4.39Å; F79-L81 HydrophobicContact CE2-CD1 4.04Å; F79-L81 HydrophobicContact CZ-CD1 4.46Å; L81-K83 PolarHBondContact O-N 3.43Å; L81-V94 HydrophobicContact CD1-CB 3.99Å; L81-V94 HydrophobicContact CD1-CG1 4.19Å; L81-A95 HydrophobicContact CD2-CB 4.02Å
82	G	93.4	Very high	94.4	Very high	9 Å²	9	62.8 Å²	62.8	9%	0.093	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	71.2	14.9	175.7	0	0	0	0	0	113.7	D91 K155	G82-D91 WeakPolarHBondContact CA-OD1 3.41Å; G82-D91 PolarHBondContact N-OD1 3.09Å; G82-K155 WeakPolarHBondContact O-CE 3.28Å; G82-K155 PolarHBondContact O-NZ 3.18Å
83	K	93.1	Very high	95.1	Very high	103 Å²	103	58.1 Å²	58.1	45%	0.448	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.7	15.7	175.4	-64.8	-76.7	-173.9	169.7	0	112.2	L81 Q85	L81-K83 PolarHBondContact O-N 3.43Å; K83-Q85 HydrophobicContact CB-CG 4.38Å; K83-Q85 PolarHBondContact O-N 3.36Å
84	S	92.1	Very high	95.7	Very high	100 Å²	100	52.7 Å²	52.7	70%	0.699	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.6	26.6	-179.5	-50.5	0	0	0	0	114	V86 D91	S84-V86 VanDerWaalsContact C-N 3.27Å; S84-D91 PolarHBondContact N-OD2 3.14Å
85	Q	94.1	Very high	96.2	Very high	117 Å²	117	47.3 Å²	47.3	55%	0.547	25%	0.252	S	S	.	.	S	Bend	trans	-77.9	-17.5	173	-68.2	-174.9	-3	0	0	112.3	K83	K83-Q85 HydrophobicContact CB-CG 4.38Å; K83-Q85 PolarHBondContact O-N 3.36Å
86	V	96.6	Very high	96.5	Very high	24 Å²	24	43.1 Å²	43.1	15%	0.145	24%	0.236	C	C	.	.	S	Bend	trans	-126.7	171.6	178.3	-65.3	0	0	0	0	109.7	F77 F79 S84 W90 D91	F77-V86 HydrophobicContact CE1-CG1 3.82Å; F77-V86 HydrophobicContact CZ-CG1 4.22Å; F79-V86 HydrophobicContact CB-CG1 4.33Å; F79-V86 HydrophobicContact CD1-CG1 4.2Å; F79-V86 HydrophobicContact CD2-CB 4.45Å; F79-V86 HydrophobicContact CD2-CG1 3.63Å; F79-V86 HydrophobicContact CD2-CG2 3.94Å; F79-V86 HydrophobicContact CE1-CG1 4.44Å; F79-V86 HydrophobicContact CE2-CB 4.41Å; F79-V86 HydrophobicContact CE2-CG1 3.91Å; F79-V86 HydrophobicContact CE2-CG2 3.6Å; F79-V86 HydrophobicContact CG-CG1 3.79Å; F79-V86 HydrophobicContact CZ-CG1 4.3Å; F79-V86 HydrophobicContact CZ-CG2 4.29Å; S84-V86 VanDerWaalsContact C-N 3.27Å; V86-W90 HydrophobicContact CB-CB 3.92Å; V86-W90 HydrophobicContact CB-CE3 4.31Å; V86-W90 HydrophobicContact CB-CG 4.48Å; V86-W90 HydrophobicContact CG1-CE3 4.07Å; V86-W90 HydrophobicContact CG2-CB 3.57Å; V86-D91 WeakPolarHBondContact CG2-OD1 2.89Å
87	I	97	Very high	96.6	Very high	21 Å²	21	40.2 Å²	40.2	11%	0.108	22%	0.217	C	C	.	.			trans	-61.3	152	176.3	60.9	172	0	0	0	111.4	A89 W90 D91 A112 Y113 F130	I87-A89 HydrophobicContact CD1-CB 4.16Å; I87-A89 HydrophobicContact CG1-CB 4.38Å; I87-A89 PolarHBondContact O-N 3.29Å; I87-A89 VanDerWaalsContact O-N 3.09Å; I87-W90 HydrophobicContact CD1-CG 4.5Å; I87-W90 HydrophobicContact CG1-CB 4.08Å; I87-W90 HydrophobicContact CG1-CG 3.9Å; I87-W90 WeakPolarHBondContact O-CB 3.41Å; I87-W90 PolarHBondContact O-N 3.33Å; I87-D91 PolarHBondContact O-N 3.2Å; I87-A112 HydrophobicContact CD1-CB 4.1Å; I87-Y113 HydrophobicContact CG2-CD2 4.33Å; I87-Y113 HydrophobicContact CG2-CE1 4.14Å; I87-Y113 HydrophobicContact CG2-CE2 3.89Å; I87-F130 HydrophobicContact CD1-CE2 3.76Å; I87-F130 HydrophobicContact CD1-CZ 4.19Å
88	K	97.2	Very high	96.7	Very high	134 Å²	134	39.2 Å²	39.2	58%	0.583	21%	0.213	S	C	*	.	H	α-helix	trans	-52.8	-38.1	-178.1	-60.2	175.7	-173.8	166.4	0	112.6	W90 D91 I92 Y111	K88-W90 VanDerWaalsContact C-N 3.27Å; K88-W90 PolarHBondContact O-N 3.01Å; K88-D91 PolarHBondContact O-N 3.31Å; K88-I92 VanDerWaalsContact O-CG1 3.32Å; K88-I92 WeakPolarHBondContact O-CG1 3.5Å; K88-I92 PolarHBondContact O-N 3.16Å; K88-Y111 HydrophobicContact CB-CD1 4.17Å; K88-Y111 PolarHBondContact N-O 3.34Å
89	A	97.7	Very high	96.7	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-61.7	-34.1	178.4	0	0	0	0	0	113.3	V33 I87 G93 C107 Y111	V33-A89 HydrophobicContact CG1-CB 4.2Å; V33-A89 HydrophobicContact CG2-CB 3.73Å; I87-A89 HydrophobicContact CD1-CB 4.16Å; I87-A89 HydrophobicContact CG1-CB 4.38Å; I87-A89 PolarHBondContact O-N 3.29Å; I87-A89 VanDerWaalsContact O-N 3.09Å; A89-G93 WeakPolarHBondContact O-CA 3.36Å; A89-G93 PolarHBondContact O-N 2.9Å; A89-C107 HydrophobicContact CB-CB 3.7Å; A89-C107 WeakPolarHBondContact CB-SG 3.48Å; A89-Y111 WeakPolarHBondContact CB-O 3.44Å; A89-Y111 PolarHBondContact N-O 3.45Å
90	W	98.2	Very high	96.7	Very high	10 Å²	10	41.6 Å²	41.6	4%	0.038	22%	0.224	C	C	.	.	H	α-helix	trans	-74.7	-42.7	176.7	-85.4	44.5	0	0	0	111.7	V55 Y57 F77 F79 V86 I87 K88 I92 G93 V94 F130 I132	V55-W90 HydrophobicContact CG2-CH2 4.38Å; V55-W90 HydrophobicContact CG2-CZ3 3.91Å; Y57-W90 AromaticContact CD1-CH2 3.62Å; Y57-W90 HydrophobicContact CD1-CH2 3.62Å; Y57-W90 HydrophobicContact CD1-CZ2 4.4Å; Y57-W90 AromaticContact CD2-CH2 3.9Å; Y57-W90 HydrophobicContact CD2-CH2 3.9Å; Y57-W90 AromaticContact CD2-CZ2 3.85Å; Y57-W90 HydrophobicContact CD2-CZ2 3.85Å; Y57-W90 HydrophobicContact CE1-CH2 4.18Å; Y57-W90 HydrophobicContact CE2-CH2 4.45Å; Y57-W90 AromaticContact CG-CH2 3.46Å; Y57-W90 HydrophobicContact CG-CH2 3.46Å; Y57-W90 VanDerWaalsContact CG-CH2 3.46Å; Y57-W90 AromaticContact CG-CZ2 3.8Å; Y57-W90 HydrophobicContact CG-CZ2 3.8Å; F77-W90 HydrophobicContact CD1-CH2 4.49Å; F77-W90 AromaticContact CD1-CZ3 3.96Å; F77-W90 HydrophobicContact CD1-CZ3 3.96Å; F77-W90 HydrophobicContact CE1-CZ3 4.12Å; F79-W90 HydrophobicContact CE1-CE3 4.06Å; F79-W90 HydrophobicContact CE1-CZ3 4.07Å; F79-W90 HydrophobicContact CZ-CE3 4.08Å; V86-W90 HydrophobicContact CB-CB 3.92Å; V86-W90 HydrophobicContact CB-CE3 4.31Å; V86-W90 HydrophobicContact CB-CG 4.48Å; V86-W90 HydrophobicContact CG1-CE3 4.07Å; V86-W90 HydrophobicContact CG2-CB 3.57Å; I87-W90 HydrophobicContact CD1-CG 4.5Å; I87-W90 HydrophobicContact CG1-CB 4.08Å; I87-W90 HydrophobicContact CG1-CG 3.9Å; I87-W90 WeakPolarHBondContact O-CB 3.41Å; I87-W90 PolarHBondContact O-N 3.33Å; K88-W90 VanDerWaalsContact C-N 3.27Å; K88-W90 PolarHBondContact O-N 3.01Å; W90-I92 PolarHBondContact O-N 3.37Å; W90-G93 PolarHBondContact O-N 2.99Å; W90-V94 WeakPolarHBondContact O-CB 3.22Å; W90-V94 WeakPolarHBondContact O-CG2 3.5Å; W90-V94 PolarHBondContact O-N 3.48Å; W90-F130 AromaticContact CE2-CD1 3.89Å; W90-F130 AromaticContact CE2-CE1 3.94Å; W90-F130 AromaticContact CZ2-CD1 3.59Å; W90-F130 HydrophobicContact CZ2-CD1 3.59Å; W90-F130 AromaticContact CZ2-CE1 3.71Å; W90-F130 HydrophobicContact CZ2-CE1 3.71Å; W90-F130 HydrophobicContact CZ2-CG 4.26Å; W90-F130 HydrophobicContact CZ2-CZ 4.46Å; W90-F130 AromaticContact NE1-CD1 3.57Å; W90-F130 AromaticContact NE1-CD2 3.47Å; W90-F130 AromaticContact NE1-CE1 3.62Å; W90-F130 AromaticContact NE1-CE2 3.53Å; W90-F130 AromaticContact NE1-CG 3.47Å; W90-F130 AromaticContact NE1-CZ 3.58Å; W90-I132 HydrophobicContact CD2-CD1 3.96Å; W90-I132 HydrophobicContact CG-CD1 4.32Å; W90-I132 HydrophobicContact CH2-CD1 4.45Å; W90-I132 HydrophobicContact CZ2-CD1 3.89Å; W90-I132 HydrophobicContact CZ2-CG1 4.17Å
91	D	97.3	Very high	96.7	Very high	25 Å²	25	40.6 Å²	40.6	13%	0.134	22%	0.216	C	C	.	.	H	α-helix	trans	-58.1	-37.7	175.2	-87.5	-19	0	0	0	111.6	G82 S84 V86 I87 K88 A95	G82-D91 WeakPolarHBondContact CA-OD1 3.41Å; G82-D91 PolarHBondContact N-OD1 3.09Å; S84-D91 PolarHBondContact N-OD2 3.14Å; V86-D91 WeakPolarHBondContact CG2-OD1 2.89Å; I87-D91 PolarHBondContact O-N 3.2Å; K88-D91 PolarHBondContact O-N 3.31Å; D91-A95 WeakPolarHBondContact O-CB 3.42Å
92	I	97.3	Very high	96.8	Very high	48 Å²	48	41.4 Å²	41.4	25%	0.246	22%	0.22	C	C	.	.	H	α-helix	trans	-74.8	-48.5	174.8	-62.7	164.7	0	0	0	110.9	I25 V33 K88 W90 Y111	I25-I92 HydrophobicContact CB-CG2 4.44Å; I25-I92 HydrophobicContact CD1-CG2 3.98Å; I25-I92 HydrophobicContact CG1-CG2 3.95Å; I25-I92 WeakPolarHBondContact O-CG2 3.39Å; V33-I92 HydrophobicContact CG2-CD1 4.32Å; K88-I92 VanDerWaalsContact O-CG1 3.32Å; K88-I92 WeakPolarHBondContact O-CG1 3.5Å; K88-I92 PolarHBondContact O-N 3.16Å; W90-I92 PolarHBondContact O-N 3.37Å; I92-Y111 HydrophobicContact CD1-CD1 3.79Å; I92-Y111 HydrophobicContact CD1-CE1 3.85Å
93	G	97.6	Very high	97	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-65.6	-52	-173	0	0	0	0	0	113.5	A89 W90 A95 T96	A89-G93 WeakPolarHBondContact O-CA 3.36Å; A89-G93 PolarHBondContact O-N 2.9Å; W90-G93 PolarHBondContact O-N 2.99Å; G93-A95 VanDerWaalsContact C-N 3.27Å; G93-A95 PolarHBondContact O-N 2.75Å; G93-T96 PolarHBondContact O-N 2.9Å; G93-T96 PolarHBondContact O-OG1 3.41Å
94	V	98.2	Very high	97.2	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-66.4	-30.9	-175.5	177.6	0	0	0	0	111.6	P47 V53 F79 L81 W90 T96 M97 I132	P47-V94 HydrophobicContact CG-CG1 4.27Å; P47-V94 VanDerWaalsContact CG-O 3.23Å; P47-V94 WeakPolarHBondContact CG-O 3.38Å; V53-V94 HydrophobicContact CG1-CG1 3.72Å; F79-V94 HydrophobicContact CZ-CG1 4.31Å; F79-V94 HydrophobicContact CZ-CG2 4.27Å; L81-V94 HydrophobicContact CD1-CB 3.99Å; L81-V94 HydrophobicContact CD1-CG1 4.19Å; W90-V94 WeakPolarHBondContact O-CB 3.22Å; W90-V94 WeakPolarHBondContact O-CG2 3.5Å; W90-V94 PolarHBondContact O-N 3.48Å; V94-T96 PolarHBondContact O-N 3.07Å; V94-T96 VanDerWaalsContact O-N 3.11Å; V94-M97 HydrophobicContact CG2-SD 4.35Å; V94-M97 PolarHBondContact O-N 3.35Å; V94-M97 VanDerWaalsContact O-N 3.07Å; V94-I132 HydrophobicContact CG2-CD1 4.33Å; V94-I132 HydrophobicContact CG2-CG2 4.45Å
95	A	97.3	Very high	97.5	Very high	36 Å²	36	32.3 Å²	32.3	30%	0.298	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-19.1	173.5	0	0	0	0	0	114.1	T46 L81 D91 G93	T46-A95 WeakPolarHBondContact CB-O 3.46Å; L81-A95 HydrophobicContact CD2-CB 4.02Å; D91-A95 WeakPolarHBondContact O-CB 3.42Å; G93-A95 VanDerWaalsContact C-N 3.27Å; G93-A95 PolarHBondContact O-N 2.75Å
96	T	97.5	Very high	97.7	Very high	51 Å²	51	28 Å²	28	31%	0.313	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.4	-1.6	178.7	70.8	0	0	0	0	113.7	I25 K35 G93 V94	I25-T96 HydrophobicContact CB-CG2 4.5Å; I25-T96 HydrophobicContact CD1-CG2 4.31Å; I25-T96 HydrophobicContact CG2-CG2 4.48Å; K35-T96 WeakPolarHBondContact CD-OG1 3.41Å; K35-T96 PolarHBondContact NZ-O 3.32Å; K35-T96 PolarHBondContact NZ-OG1 3.4Å; G93-T96 PolarHBondContact O-N 2.9Å; G93-T96 PolarHBondContact O-OG1 3.41Å; V94-T96 PolarHBondContact O-N 3.07Å; V94-T96 VanDerWaalsContact O-N 3.11Å
97	M	98.2	Very high	97.7	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.139	C	C	.	.	P	Polyproline II helix	trans	-90.5	142.9	-173.7	-64.6	-177.1	71.3	0	0	111.8	P47 V94 E101 C103 I132 L134	P47-M97 WeakPolarHBondContact CD-O 3.45Å; V94-M97 HydrophobicContact CG2-SD 4.35Å; V94-M97 PolarHBondContact O-N 3.35Å; V94-M97 VanDerWaalsContact O-N 3.07Å; M97-E101 WeakPolarHBondContact CA-OE2 3.34Å; M97-E101 HydrophobicContact CB-CB 4.46Å; M97-E101 HydrophobicContact CE-CB 4.04Å; M97-E101 HydrophobicContact CE-CG 4.19Å; M97-E101 WeakPolarHBondContact CE-O 3.26Å; M97-C103 HydrophobicContact CE-CB 4.33Å; M97-C103 VanDerWaalsContact SD-SG 3.6Å; M97-I132 HydrophobicContact CE-CB 4.48Å; M97-I132 HydrophobicContact CE-CG2 4.34Å; M97-I132 WeakPolarHBondContact CE-O 3.31Å; M97-I132 HydrophobicContact SD-CB 4.36Å; M97-I132 HydrophobicContact SD-CG2 4.06Å; M97-L134 HydrophobicContact CB-CB 4.2Å; M97-L134 HydrophobicContact CB-CD2 3.65Å; M97-L134 HydrophobicContact CE-CB 3.76Å; M97-L134 HydrophobicContact SD-CB 4.27Å
98	K	97.9	Very high	97.7	Very high	48 Å²	48	29.8 Å²	29.8	21%	0.209	15%	0.152	C	C	.	.	P	Polyproline II helix	trans	-87.4	155.8	167.6	-68.6	175.2	168.7	-164	0	111.2	G43 E44 T46 G100 E101	G43-K98 VanDerWaalsContact O-CD 3.26Å; G43-K98 WeakPolarHBondContact O-CD 2.99Å; G43-K98 WeakPolarHBondContact O-CE 3.21Å; G43-K98 PolarHBondContact O-NZ 2.88Å; E44-K98 IonicContact OE1-NZ 2.83Å; E44-K98 PolarHBondContact OE1-NZ 3.44Å; E44-K98 IonicContact OE2-NZ 2.99Å; E44-K98 PolarHBondContact OE2-NZ 3.4Å; T46-K98 HydrophobicContact CG2-CG 4.45Å; K98-G100 PolarHBondContact O-N 3.14Å; K98-E101 PolarHBondContact N-OE2 3.03Å; K98-E101 WeakPolarHBondContact O-CB 3.37Å; K98-E101 PolarHBondContact O-N 3.44Å
99	K	97.8	Very high	97.7	Very high	94 Å²	94	24 Å²	24	41%	0.409	13%	0.127	S	C	.	.	B	Isolated β-bridge	trans	-59.3	129	178.3	-176.3	171.2	174.1	167	0	111.1	G41 N42 E101 D136 F137	G41-K99 CarbonylContact C-O 3.58Å; G41-K99 WeakPolarHBondContact CA-O 3.4Å; N42-K99 PolarHBondContact N-O 2.89Å; K99-E101 VanDerWaalsContact C-N 3.32Å; K99-D136 WeakPolarHBondContact CE-OD1 3.49Å; K99-D136 IonicContact NZ-OD1 2.96Å; K99-D136 PolarHBondContact NZ-OD1 3.03Å; K99-D136 IonicContact NZ-OD2 2.7Å; K99-F137 HydrophobicContact CB-CE1 4.1Å
100	G	97.4	Very high	97.7	Very high	21 Å²	21	29.4 Å²	29.4	22%	0.216	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.6	-4.9	-175.8	0	0	0	0	0	115.3	R39 K98 L134	R39-G100 PolarHBondContact NE-O 3.27Å; R39-G100 PolarHBondContact NH2-O 3.28Å; K98-G100 PolarHBondContact O-N 3.14Å; G100-L134 WeakPolarHBondContact CA-O 3.47Å; G100-L134 PolarHBondContact N-O 3.16Å
101	E	98.3	Very high	97.7	Very high	8 Å²	8	30 Å²	30	4%	0.037	16%	0.155	C	C	.	.			trans	-65.4	140.6	-180	-172.8	-177.9	126	0	0	111.4	K35 V37 R39 M97 K98 K99 E133 L134	K35-E101 WeakPolarHBondContact CE-OE1 3.47Å; K35-E101 IonicContact NZ-OE1 3.97Å; K35-E101 PolarHBondContact NZ-OE1 2.8Å; K35-E101 IonicContact NZ-OE2 2.95Å; V37-E101 HydrophobicContact CG1-CG 4.02Å; R39-E101 CarbonylContact O-C 3.52Å; R39-E101 WeakPolarHBondContact O-CA 3.45Å; R39-E101 VanDerWaalsContact O-CG 3.3Å; R39-E101 WeakPolarHBondContact O-CG 3.43Å; M97-E101 WeakPolarHBondContact CA-OE2 3.34Å; M97-E101 HydrophobicContact CB-CB 4.46Å; M97-E101 HydrophobicContact CE-CB 4.04Å; M97-E101 HydrophobicContact CE-CG 4.19Å; M97-E101 WeakPolarHBondContact CE-O 3.26Å; K98-E101 PolarHBondContact N-OE2 3.03Å; K98-E101 WeakPolarHBondContact O-CB 3.37Å; K98-E101 PolarHBondContact O-N 3.44Å; K99-E101 VanDerWaalsContact C-N 3.32Å; E101-E133 WeakPolarHBondContact O-CA 3.47Å; E101-L134 PolarHBondContact O-N 3.5Å
102	I	98.2	Very high	97.6	Very high	21 Å²	21	29.8 Å²	29.8	11%	0.108	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	124.1	164.2	-55.5	179.9	0	0	0	108.1	K38 R39 E131 I132 E133	K38-I102 WeakPolarHBondContact CA-O 3.47Å; K38-I102 HydrophobicContact CB-CB 4.44Å; K38-I102 HydrophobicContact CB-CG2 4.22Å; K38-I102 WeakPolarHBondContact CB-O 3.43Å; K38-I102 HydrophobicContact CD-CG2 3.98Å; K38-I102 PolarHBondContact N-O 2.96Å; R39-I102 HydrophobicContact CB-CB 3.99Å; R39-I102 HydrophobicContact CB-CD1 4.39Å; R39-I102 HydrophobicContact CB-CG1 4.18Å; R39-I102 PolarHBondContact N-O 3.35Å; R39-I102 PolarHBondContact O-N 2.86Å; I102-E131 HydrophobicContact CG2-CG 3.92Å; I102-I132 CarbonylContact C-O 3.59Å; I102-I132 VanDerWaalsContact CA-O 3.28Å; I102-I132 WeakPolarHBondContact CA-O 3.49Å; I102-E133 HydrophobicContact CD1-CG 4.38Å; I102-E133 HydrophobicContact CG1-CB 3.93Å; I102-E133 HydrophobicContact CG1-CG 3.87Å
103	C	97.8	Very high	97.5	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	159.1	174.4	77	0	0	0	0	112.1	K35 I36 M97 E131 I132	K35-C103 HydrophobicContact CD-CB 4.47Å; K35-C103 HydrophobicContact CG-CB 4.13Å; I36-C103 CarbonylContact O-C 3.53Å; I36-C103 WeakPolarHBondContact O-CA 3.41Å; I36-C103 WeakPolarHBondContact O-CB 3.24Å; M97-C103 HydrophobicContact CE-CB 4.33Å; M97-C103 VanDerWaalsContact SD-SG 3.6Å; C103-E131 WeakPolarHBondContact O-CA 3.49Å; C103-I132 PolarHBondContact N-O 3.47Å; C103-I132 PolarHBondContact O-N 3.07Å
104	H	98	Very high	97.4	Very high	20 Å²	20	33.1 Å²	33.1	9%	0.093	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	130.9	167.2	-65.2	165.1	0	0	0	109.2	K35 I36 F129 F130 E131	K35-H104 WeakPolarHBondContact CA-O 3.38Å; I36-H104 HydrophobicContact CG2-CB 3.76Å; I36-H104 PolarHBondContact N-O 2.9Å; I36-H104 PolarHBondContact O-N 3.18Å; H104-F129 HydrophobicContact CB-CE2 3.82Å; H104-F129 HydrophobicContact CB-CZ 3.85Å; H104-F129 AromaticContact CD2-CZ 3.86Å; H104-F129 AromaticContact CG-CZ 3.56Å; H104-F129 AromaticContact ND1-CZ 3.75Å; H104-F130 CarbonylContact C-O 3.59Å; H104-F130 VanDerWaalsContact CA-O 3.25Å; H104-F130 WeakPolarHBondContact CA-O 3.39Å; H104-E131 IonicContact CD2-OE2 3.98Å; H104-E131 IonicContact CE1-OE2 2.91Å; H104-E131 IonicContact NE2-OE2 3.84Å; H104-E131 PolarHBondContact NE2-OE2 3.28Å
105	L	97.8	Very high	97.3	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	133.7	175.2	-64.2	-177	0	0	0	110.7	I25 V33 L34 K35 F129 F130 I132	I25-L105 HydrophobicContact CD1-CD2 4.36Å; V33-L105 HydrophobicContact CG1-CD2 4.41Å; L34-L105 CarbonylContact O-C 3.55Å; L34-L105 VanDerWaalsContact O-CA 3.32Å; L34-L105 WeakPolarHBondContact O-CA 2.99Å; K35-L105 HydrophobicContact CB-CD2 3.63Å; K35-L105 HydrophobicContact CD-CD2 4.32Å; K35-L105 HydrophobicContact CG-CD2 3.72Å; L105-F129 CarbonylContact O-C 3.42Å; L105-F129 WeakPolarHBondContact O-CA 3.27Å; L105-F130 HydrophobicContact CB-CB 4.41Å; L105-F130 PolarHBondContact N-O 2.8Å; L105-F130 PolarHBondContact O-N 3.15Å; L105-I132 HydrophobicContact CD1-CD1 3.63Å; L105-I132 HydrophobicContact CG-CD1 4.35Å
106	L	97.6	Very high	97.2	Very high	26 Å²	26	39.3 Å²	39.3	14%	0.136	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	119.3	166.8	-168.7	70	0	0	0	109.3	T15 V18 A19 V33 L34 T127	T15-L106 HydrophobicContact CG2-CD1 3.94Å; V18-L106 HydrophobicContact CG1-CB 3.8Å; V18-L106 HydrophobicContact CG1-CD1 4.42Å; V18-L106 HydrophobicContact CG1-CD2 4.34Å; V18-L106 HydrophobicContact CG1-CG 4.42Å; V18-L106 HydrophobicContact CG2-CB 4.02Å; A19-L106 HydrophobicContact CB-CD2 3.84Å; V33-L106 WeakPolarHBondContact CA-O 3.39Å; L34-L106 HydrophobicContact CB-CB 4.28Å; L34-L106 HydrophobicContact CD1-CD2 4.4Å; L34-L106 PolarHBondContact N-O 3.08Å; L34-L106 PolarHBondContact O-N 2.9Å; L106-T127 HydrophobicContact CD1-CG2 3.83Å; L106-T127 HydrophobicContact CG-CG2 4.11Å
107	C	97.6	Very high	97	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	117.4	-168.9	-48.3	0	0	0	0	110.3	A89 T127 L128	A89-C107 HydrophobicContact CB-CB 3.7Å; A89-C107 WeakPolarHBondContact CB-SG 3.48Å; C107-T127 WeakPolarHBondContact O-CA 3.08Å; C107-T127 WeakPolarHBondContact O-CG2 3.34Å; C107-L128 HydrophobicContact CB-CB 4.42Å; C107-L128 PolarHBondContact N-O 2.89Å; C107-L128 PolarHBondContact O-N 3.27Å
108	K	97.5	Very high	96.8	Very high	84 Å²	84	40.1 Å²	40.1	37%	0.365	23%	0.229	S	C	.	.			trans	-68.3	155.1	170.4	-73.6	-166.6	-174.1	164.1	0	111.6	D30 R31 G32 E110 Y111 A112	D30-K108 PolarHBondContact O-NZ 3.36Å; R31-K108 VanDerWaalsContact O-CE 3.28Å; R31-K108 WeakPolarHBondContact O-CE 3.41Å; G32-K108 PolarHBondContact O-N 3.31Å; K108-E110 VanDerWaalsContact CB-OE2 3.31Å; K108-E110 WeakPolarHBondContact CB-OE2 3.5Å; K108-E110 PolarHBondContact O-N 3.47Å; K108-Y111 PolarHBondContact O-N 3.06Å; K108-A112 PolarHBondContact O-N 3.43Å
109	P	97.1	Very high	96.5	Very high	11 Å²	11	44.4 Å²	44.4	7%	0.071	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-57.8	-31.9	-177.1	21.3	-33	0	0	0	114.1	Y111 A112 G114 N125	P109-Y111 PolarHBondContact O-N 3.22Å; P109-A112 CarbonylContact O-C 3.33Å; P109-A112 PolarHBondContact O-N 2.99Å; P109-G114 VanDerWaalsContact O-CA 3.28Å; P109-G114 WeakPolarHBondContact O-CA 3.41Å; P109-G114 PolarHBondContact O-N 3.35Å; P109-N125 HydrophobicContact CB-CB 4.39Å; P109-N125 HydrophobicContact CG-CB 4.32Å
110	E	97.3	Very high	96.2	Very high	114 Å²	114	46 Å²	46	53%	0.533	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-62.1	-24.8	178.5	-61.4	73.1	-157	0	0	113	K108	K108-E110 VanDerWaalsContact CB-OE2 3.31Å; K108-E110 WeakPolarHBondContact CB-OE2 3.5Å; K108-E110 PolarHBondContact O-N 3.47Å
111	Y	97.3	Very high	95.9	Very high	24 Å²	24	51.3 Å²	51.3	9%	0.094	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-105.7	2.4	176.6	-65.2	-92.9	0	0	0	113	T26 D30 V33 K88 A89 I92 K108 P109	T26-Y111 HydrophobicContact CG2-CE1 4.12Å; T26-Y111 HydrophobicContact CG2-CE2 4.43Å; D30-Y111 VanDerWaalsContact CG-OH 3.25Å; D30-Y111 PolarHBondContact OD1-OH 3.18Å; D30-Y111 WeakPolarHBondContact OD2-CE2 3.42Å; D30-Y111 PolarHBondContact OD2-OH 3.18Å; V33-Y111 HydrophobicContact CG2-CD1 3.87Å; V33-Y111 HydrophobicContact CG2-CD2 4.44Å; V33-Y111 HydrophobicContact CG2-CG 3.82Å; K88-Y111 HydrophobicContact CB-CD1 4.17Å; K88-Y111 PolarHBondContact N-O 3.34Å; A89-Y111 WeakPolarHBondContact CB-O 3.44Å; A89-Y111 PolarHBondContact N-O 3.45Å; I92-Y111 HydrophobicContact CD1-CD1 3.79Å; I92-Y111 HydrophobicContact CD1-CE1 3.85Å; K108-Y111 PolarHBondContact O-N 3.06Å; P109-Y111 PolarHBondContact O-N 3.22Å
112	A	96.1	Very high	95.7	Very high	19 Å²	19	51.2 Å²	51.2	16%	0.157	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.7	-118.8	177.9	0	0	0	0	0	111	I87 K108 P109 L128	I87-A112 HydrophobicContact CD1-CB 4.1Å; K108-A112 PolarHBondContact O-N 3.43Å; P109-A112 CarbonylContact O-C 3.33Å; P109-A112 PolarHBondContact O-N 2.99Å; A112-L128 HydrophobicContact CB-CD1 3.95Å; A112-L128 HydrophobicContact CB-CG 4.36Å
113	Y	95.8	Very high	95.5	Very high	97 Å²	97	53.1 Å²	53.1	38%	0.38	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.2	5.2	-175.4	-63.3	-84.1	0	0	0	114.3	I87 G117 I122 L128	I87-Y113 HydrophobicContact CG2-CD2 4.33Å; I87-Y113 HydrophobicContact CG2-CE1 4.14Å; I87-Y113 HydrophobicContact CG2-CE2 3.89Å; Y113-G117 PolarHBondContact O-N 3.4Å; Y113-I122 HydrophobicContact CD2-CB 4.4Å; Y113-I122 HydrophobicContact CD2-CG1 4.24Å; Y113-I122 HydrophobicContact CD2-CG2 3.87Å; Y113-I122 HydrophobicContact CE2-CG1 4.15Å; Y113-I122 HydrophobicContact CG-CG2 4.37Å; Y113-L128 HydrophobicContact CD2-CD1 3.82Å; Y113-L128 HydrophobicContact CE2-CD1 3.82Å
114	G	95.4	Very high	95.4	Very high	22 Å²	22	56.3 Å²	56.3	23%	0.227	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.6	-153.4	177.3	0	0	0	0	0	114.5	P109 A116 G117 N125	P109-G114 VanDerWaalsContact O-CA 3.28Å; P109-G114 WeakPolarHBondContact O-CA 3.41Å; P109-G114 PolarHBondContact O-N 3.35Å; G114-A116 VanDerWaalsContact C-N 3.29Å; G114-A116 PolarHBondContact O-N 2.94Å; G114-G117 PolarHBondContact O-N 2.97Å; G114-N125 WeakPolarHBondContact O-CA 3.22Å; G114-N125 PolarHBondContact O-N 3.38Å
115	S	95.8	Very high	95.3	Very high	84 Å²	84	59.7 Å²	59.7	59%	0.587	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-22.7	177.7	56.6	0	0	0	0	113.4	S124 N125	S115-S124 VanDerWaalsContact O-CB 3.23Å; S115-S124 WeakPolarHBondContact O-CB 3.5Å; S115-S124 PolarHBondContact O-OG 2.74Å; S115-N125 WeakPolarHBondContact CA-OD1 3.49Å; S115-N125 PolarHBondContact N-OD1 3.36Å
116	A	94.9	Very high	95.1	Very high	81 Å²	81	60.4 Å²	60.4	67%	0.669	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-35.5	175.9	0	0	0	0	0	111.9	G114	G114-A116 VanDerWaalsContact C-N 3.29Å; G114-A116 PolarHBondContact O-N 2.94Å
117	G	93.8	Very high	95	Very high	14 Å²	14	61.6 Å²	61.6	14%	0.144	36%	0.36	C	S	.	.			trans	64.8	-159.7	-172.5	0	0	0	0	0	112.2	Y113 G114	Y113-G117 PolarHBondContact O-N 3.4Å; G114-G117 PolarHBondContact O-N 2.97Å
118	S	93.8	Very high	95	Very high	54 Å²	54	61.6 Å²	61.6	38%	0.378	36%	0.36	S	S	.	.	B	Isolated β-bridge	trans	-146	73.4	173.2	-170.9	0	0	0	0	108.3	K121 I122	S118-K121 PolarHBondContact O-N 3.23Å; S118-K121 VanDerWaalsContact O-N 3.1Å; S118-I122 CarbonylContact C-O 3.48Å; S118-I122 PolarHBondContact N-O 3.07Å; S118-I122 PolarHBondContact O-N 3.3Å
119	L	90.9	Very high	95	Very high	139 Å²	139	57.9 Å²	57.9	73%	0.728	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	145.8	-175.4	-66.3	175	0	0	0	111.3
120	P	91.9	Very high	95	Very high	128 Å²	128	57.8 Å²	57.8	83%	0.831	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	cis	-87.1	-2.6	1.7	35	-36.2	0	0	0	114.3
121	K	91.6	Very high	95	Very high	132 Å²	132	53.7 Å²	53.7	57%	0.574	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-40.8	-170.5	-68.6	-174.4	179.8	-178.3	0	113.2	S118	S118-K121 PolarHBondContact O-N 3.23Å; S118-K121 VanDerWaalsContact O-N 3.1Å
122	I	93.5	Very high	95	Very high	5 Å²	5	52.6 Å²	52.6	3%	0.026	32%	0.319	C	S	.	.	B	Isolated β-bridge	trans	-116.8	115.1	-176.5	-50.5	-61	0	0	0	109.4	L61 F67 Y113 S118 A126 L128	L61-I122 HydrophobicContact CD2-CD1 4.04Å; F67-I122 HydrophobicContact CB-CD1 4.25Å; F67-I122 HydrophobicContact CD1-CD1 3.88Å; F67-I122 HydrophobicContact CD2-CD1 3.57Å; F67-I122 HydrophobicContact CE1-CD1 4.03Å; F67-I122 HydrophobicContact CE2-CD1 3.76Å; F67-I122 HydrophobicContact CG-CD1 3.63Å; F67-I122 HydrophobicContact CZ-CD1 3.98Å; Y113-I122 HydrophobicContact CD2-CB 4.4Å; Y113-I122 HydrophobicContact CD2-CG1 4.24Å; Y113-I122 HydrophobicContact CD2-CG2 3.87Å; Y113-I122 HydrophobicContact CE2-CG1 4.15Å; Y113-I122 HydrophobicContact CG-CG2 4.37Å; S118-I122 CarbonylContact C-O 3.48Å; S118-I122 PolarHBondContact N-O 3.07Å; S118-I122 PolarHBondContact O-N 3.3Å; I122-A126 HydrophobicContact CG2-CB 3.87Å; I122-L128 HydrophobicContact CD1-CD2 4.08Å; I122-L128 HydrophobicContact CG2-CD2 4.13Å
123	P	93.9	Very high	95.1	Very high	62 Å²	62	53.4 Å²	53.4	40%	0.403	32%	0.319	S	S	.	.			trans	-65.7	167	175	-21.5	33.5	0	0	0	113.5	A126	P123-A126 WeakPolarHBondContact O-CB 3.21Å
124	S	96	Very high	95.2	Very high	66 Å²	66	48.8 Å²	48.8	46%	0.462	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	138.3	168.7	-177.5	0	0	0	0	111.4	S115 A126	S115-S124 VanDerWaalsContact O-CB 3.23Å; S115-S124 WeakPolarHBondContact O-CB 3.5Å; S115-S124 PolarHBondContact O-OG 2.74Å; S124-A126 PolarHBondContact O-N 3.44Å; S124-A126 VanDerWaalsContact O-N 3.13Å
125	N	95.5	Very high	95.3	Very high	92 Å²	92	50.6 Å²	50.6	49%	0.492	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.5	31.2	176.6	-64.8	-39.9	0	0	0	114.5	P109 G114 S115 T127	P109-N125 HydrophobicContact CB-CB 4.39Å; P109-N125 HydrophobicContact CG-CB 4.32Å; G114-N125 WeakPolarHBondContact O-CA 3.22Å; G114-N125 PolarHBondContact O-N 3.38Å; S115-N125 WeakPolarHBondContact CA-OD1 3.49Å; S115-N125 PolarHBondContact N-OD1 3.36Å; N125-T127 PolarHBondContact O-N 3.36Å
126	A	94.7	Very high	95.4	Very high	15 Å²	15	48.6 Å²	48.6	12%	0.124	29%	0.288	C	S	.	.			trans	-72.7	129.9	-179.2	0	0	0	0	0	112.1	I122 P123 S124 L128	I122-A126 HydrophobicContact CG2-CB 3.87Å; P123-A126 WeakPolarHBondContact O-CB 3.21Å; S124-A126 PolarHBondContact O-N 3.44Å; S124-A126 VanDerWaalsContact O-N 3.13Å; A126-L128 HydrophobicContact CB-CD2 4.05Å
127	T	95.4	Very high	95.6	Very high	51 Å²	51	45.8 Å²	45.8	31%	0.313	26%	0.261	S	S	.	.			trans	-81.1	128.7	162.6	-60.4	0	0	0	0	108.8	L106 C107 N125	L106-T127 HydrophobicContact CD1-CG2 3.83Å; L106-T127 HydrophobicContact CG-CG2 4.11Å; C107-T127 WeakPolarHBondContact O-CA 3.08Å; C107-T127 WeakPolarHBondContact O-CG2 3.34Å; N125-T127 PolarHBondContact O-N 3.36Å
128	L	96.4	Very high	95.7	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	143.6	-174.9	-55.9	-175.8	0	0	0	111.1	L61 F67 C107 A112 Y113 I122 A126 F130	L61-L128 HydrophobicContact CD2-CD2 3.7Å; F67-L128 HydrophobicContact CE1-CD2 3.95Å; F67-L128 HydrophobicContact CZ-CD1 4.24Å; F67-L128 HydrophobicContact CZ-CD2 4.35Å; C107-L128 HydrophobicContact CB-CB 4.42Å; C107-L128 PolarHBondContact N-O 2.89Å; C107-L128 PolarHBondContact O-N 3.27Å; A112-L128 HydrophobicContact CB-CD1 3.95Å; A112-L128 HydrophobicContact CB-CG 4.36Å; Y113-L128 HydrophobicContact CD2-CD1 3.82Å; Y113-L128 HydrophobicContact CE2-CD1 3.82Å; I122-L128 HydrophobicContact CD1-CD2 4.08Å; I122-L128 HydrophobicContact CG2-CD2 4.13Å; A126-L128 HydrophobicContact CB-CD2 4.05Å; L128-F130 HydrophobicContact CB-CD2 4.24Å; L128-F130 HydrophobicContact CB-CE2 3.71Å; L128-F130 HydrophobicContact CD1-CE2 3.89Å; L128-F130 HydrophobicContact CD1-CZ 4.12Å; L128-F130 HydrophobicContact CG-CE2 4.48Å
129	F	97.3	Very high	95.9	Very high	6 Å²	6	48.4 Å²	48.4	3%	0.026	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	132.9	170.7	175.1	-87.9	0	0	0	109.4	P14 T15 V18 G59 K60 H104 L105	P14-F129 HydrophobicContact CB-CE2 4.39Å; P14-F129 HydrophobicContact CB-CZ 4Å; T15-F129 HydrophobicContact CG2-CB 4.48Å; T15-F129 HydrophobicContact CG2-CD2 4.22Å; V18-F129 HydrophobicContact CG1-CD2 4.06Å; V18-F129 HydrophobicContact CG1-CE2 3.96Å; G59-F129 WeakPolarHBondContact CA-O 3.41Å; K60-F129 HydrophobicContact CB-CB 4.42Å; K60-F129 HydrophobicContact CB-CD1 4.22Å; K60-F129 HydrophobicContact CD-CD1 4.31Å; K60-F129 PolarHBondContact N-O 3.37Å; K60-F129 PolarHBondContact O-N 2.95Å; H104-F129 HydrophobicContact CB-CE2 3.82Å; H104-F129 HydrophobicContact CB-CZ 3.85Å; H104-F129 AromaticContact CD2-CZ 3.86Å; H104-F129 AromaticContact CG-CZ 3.56Å; H104-F129 AromaticContact ND1-CZ 3.75Å; L105-F129 CarbonylContact O-C 3.42Å; L105-F129 WeakPolarHBondContact O-CA 3.27Å
130	F	97.6	Very high	96.2	Very high	8 Å²	8	44.5 Å²	44.5	4%	0.035	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	136.7	174.7	-71.1	-85.5	0	0	0	111.3	Y57 K58 F67 I87 W90 H104 L105 L128 I132	Y57-F130 HydrophobicContact CD2-CD1 4.21Å; Y57-F130 HydrophobicContact CD2-CE1 4.26Å; K58-F130 WeakPolarHBondContact O-CA 3.4Å; F67-F130 HydrophobicContact CE2-CE1 4.2Å; F67-F130 HydrophobicContact CE2-CZ 4.23Å; F67-F130 AromaticContact CZ-CE1 3.73Å; F67-F130 HydrophobicContact CZ-CE1 3.73Å; F67-F130 HydrophobicContact CZ-CE2 4.36Å; F67-F130 AromaticContact CZ-CZ 3.59Å; F67-F130 HydrophobicContact CZ-CZ 3.59Å; I87-F130 HydrophobicContact CD1-CE2 3.76Å; I87-F130 HydrophobicContact CD1-CZ 4.19Å; W90-F130 AromaticContact CE2-CD1 3.89Å; W90-F130 AromaticContact CE2-CE1 3.94Å; W90-F130 AromaticContact CZ2-CD1 3.59Å; W90-F130 HydrophobicContact CZ2-CD1 3.59Å; W90-F130 AromaticContact CZ2-CE1 3.71Å; W90-F130 HydrophobicContact CZ2-CE1 3.71Å; W90-F130 HydrophobicContact CZ2-CG 4.26Å; W90-F130 HydrophobicContact CZ2-CZ 4.46Å; W90-F130 AromaticContact NE1-CD1 3.57Å; W90-F130 AromaticContact NE1-CD2 3.47Å; W90-F130 AromaticContact NE1-CE1 3.62Å; W90-F130 AromaticContact NE1-CE2 3.53Å; W90-F130 AromaticContact NE1-CG 3.47Å; W90-F130 AromaticContact NE1-CZ 3.58Å; H104-F130 CarbonylContact C-O 3.59Å; H104-F130 VanDerWaalsContact CA-O 3.25Å; H104-F130 WeakPolarHBondContact CA-O 3.39Å; L105-F130 HydrophobicContact CB-CB 4.41Å; L105-F130 PolarHBondContact N-O 2.8Å; L105-F130 PolarHBondContact O-N 3.15Å; L128-F130 HydrophobicContact CB-CD2 4.24Å; L128-F130 HydrophobicContact CB-CE2 3.71Å; L128-F130 HydrophobicContact CD1-CE2 3.89Å; L128-F130 HydrophobicContact CD1-CZ 4.12Å; L128-F130 HydrophobicContact CG-CE2 4.48Å; F130-I132 HydrophobicContact CB-CD1 4.17Å; F130-I132 HydrophobicContact CB-CG1 3.92Å
131	E	97.5	Very high	96.4	Very high	29 Å²	29	40.3 Å²	40.3	14%	0.136	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	122.4	156.7	175.7	173.4	83.2	0	0	106.7	K38 Y57 K58 I102 C103 H104	K38-E131 IonicContact NZ-OE2 3.74Å; K38-E131 PolarHBondContact NZ-OE2 3.4Å; Y57-E131 CarbonylContact C-O 3.49Å; Y57-E131 WeakPolarHBondContact CA-O 3.2Å; Y57-E131 WeakPolarHBondContact CB-O 3.48Å; K58-E131 HydrophobicContact CB-CB 4.47Å; K58-E131 PolarHBondContact N-O 3.13Å; K58-E131 IonicContact NZ-OE1 2.9Å; K58-E131 PolarHBondContact NZ-OE1 3.05Å; K58-E131 PolarHBondContact O-N 3.06Å; I102-E131 HydrophobicContact CG2-CG 3.92Å; C103-E131 WeakPolarHBondContact O-CA 3.49Å; H104-E131 IonicContact CD2-OE2 3.98Å; H104-E131 IonicContact CE1-OE2 2.91Å; H104-E131 IonicContact NE2-OE2 3.84Å; H104-E131 PolarHBondContact NE2-OE2 3.28Å
132	I	98.1	Very high	96.7	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	132.4	-177.9	-52.1	178.5	0	0	0	108.7	V55 H56 W90 V94 M97 I102 C103 L105 F130	V55-I132 HydrophobicContact CB-CG2 4.11Å; V55-I132 HydrophobicContact CG1-CG2 3.96Å; H56-I132 CarbonylContact O-C 3.47Å; H56-I132 WeakPolarHBondContact O-CA 3.35Å; W90-I132 HydrophobicContact CD2-CD1 3.96Å; W90-I132 HydrophobicContact CG-CD1 4.32Å; W90-I132 HydrophobicContact CH2-CD1 4.45Å; W90-I132 HydrophobicContact CZ2-CD1 3.89Å; W90-I132 HydrophobicContact CZ2-CG1 4.17Å; V94-I132 HydrophobicContact CG2-CD1 4.33Å; V94-I132 HydrophobicContact CG2-CG2 4.45Å; M97-I132 HydrophobicContact CE-CB 4.48Å; M97-I132 HydrophobicContact CE-CG2 4.34Å; M97-I132 WeakPolarHBondContact CE-O 3.31Å; M97-I132 HydrophobicContact SD-CB 4.36Å; M97-I132 HydrophobicContact SD-CG2 4.06Å; I102-I132 CarbonylContact C-O 3.59Å; I102-I132 VanDerWaalsContact CA-O 3.28Å; I102-I132 WeakPolarHBondContact CA-O 3.49Å; C103-I132 PolarHBondContact N-O 3.47Å; C103-I132 PolarHBondContact O-N 3.07Å; L105-I132 HydrophobicContact CD1-CD1 3.63Å; L105-I132 HydrophobicContact CG-CD1 4.35Å; F130-I132 HydrophobicContact CB-CD1 4.17Å; F130-I132 HydrophobicContact CB-CG1 3.92Å
133	E	97.9	Very high	96.8	Very high	37 Å²	37	37.6 Å²	37.6	17%	0.173	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	118.2	171.8	178.1	173.5	-141.8	0	0	108.8	R39 V55 H56 E101 I102 L135	R39-E133 IonicContact CZ-OE1 2.67Å; R39-E133 IonicContact NH1-OE1 3.6Å; R39-E133 IonicContact NH2-OE1 3.02Å; R39-E133 PolarHBondContact NH2-OE1 3.47Å; V55-E133 CarbonylContact C-O 3.56Å; V55-E133 WeakPolarHBondContact CA-O 3.39Å; V55-E133 WeakPolarHBondContact CB-O 3.41Å; H56-E133 HydrophobicContact CB-CB 4.15Å; H56-E133 PolarHBondContact N-O 3.36Å; H56-E133 PolarHBondContact O-N 3.38Å; E101-E133 WeakPolarHBondContact O-CA 3.47Å; I102-E133 HydrophobicContact CD1-CG 4.38Å; I102-E133 HydrophobicContact CG1-CB 3.93Å; I102-E133 HydrophobicContact CG1-CG 3.87Å; E133-L135 HydrophobicContact CG-CD2 3.87Å; E133-L135 PolarHBondContact O-N 2.98Å
134	L	98.2	Very high	96.8	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	105.3	175	177.4	57.8	0	0	0	109.3	P47 V53 V55 M97 G100 E101 F137	P47-L134 HydrophobicContact CG-CD2 4.17Å; V53-L134 HydrophobicContact CG1-CD1 3.43Å; V53-L134 VanDerWaalsContact CG1-CD1 3.43Å; V55-L134 HydrophobicContact CG1-CD1 4.08Å; M97-L134 HydrophobicContact CB-CB 4.2Å; M97-L134 HydrophobicContact CB-CD2 3.65Å; M97-L134 HydrophobicContact CE-CB 3.76Å; M97-L134 HydrophobicContact SD-CB 4.27Å; G100-L134 WeakPolarHBondContact CA-O 3.47Å; G100-L134 PolarHBondContact N-O 3.16Å; E101-L134 PolarHBondContact O-N 3.5Å; L134-F137 HydrophobicContact CD2-CD1 4.1Å
135	L	97.3	Very high	96.8	Very high	59 Å²	59	41.7 Å²	41.7	31%	0.309	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	-49.8	-176.2	-58.7	168.8	0	0	0	111.3	Y54 P76 E133	Y54-L135 WeakPolarHBondContact O-CB 3.02Å; Y54-L135 PolarHBondContact O-N 3.43Å; P76-L135 HydrophobicContact CB-CD1 3.59Å; E133-L135 HydrophobicContact CG-CD2 3.87Å; E133-L135 PolarHBondContact O-N 2.98Å
136	D	97.8	Very high	96.7	Very high	42 Å²	42	39.5 Å²	39.5	23%	0.225	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	163.5	-178.2	-159.6	16.5	0	0	0	110.4	Y54 K99 K138	Y54-D136 WeakPolarHBondContact CB-O 3.28Å; Y54-D136 HydrophobicContact CD2-CB 3.98Å; Y54-D136 WeakPolarHBondContact CD2-O 3.33Å; Y54-D136 HydrophobicContact CG-CB 4.26Å; Y54-D136 PolarHBondContact N-O 3.48Å; Y54-D136 PolarHBondContact O-N 2.86Å; K99-D136 WeakPolarHBondContact CE-OD1 3.49Å; K99-D136 IonicContact NZ-OD1 2.96Å; K99-D136 PolarHBondContact NZ-OD1 3.03Å; K99-D136 IonicContact NZ-OD2 2.7Å; D136-K138 WeakPolarHBondContact OD2-CE 3.36Å
137	F	97.8	Very high	96.8	Very high	22 Å²	22	39.1 Å²	39.1	10%	0.096	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	148.5	167.8	63.3	-96.4	0	0	0	110	E45 P47 K52 V53 K99 L134 R151	E45-F137 HydrophobicContact CB-CZ 3.87Å; P47-F137 HydrophobicContact CB-CB 4Å; P47-F137 HydrophobicContact CB-CD1 4.23Å; P47-F137 HydrophobicContact CB-CD2 4.24Å; P47-F137 HydrophobicContact CB-CG 3.89Å; K52-F137 CarbonylContact O-C 3.56Å; K52-F137 VanDerWaalsContact O-CA 3.31Å; K52-F137 WeakPolarHBondContact O-CA 3.39Å; V53-F137 HydrophobicContact CG2-CB 4.1Å; K99-F137 HydrophobicContact CB-CE1 4.1Å; L134-F137 HydrophobicContact CD2-CD1 4.1Å; F137-R151 VanDerWaalsContact CD2-NH1 3.3Å
138	K	96.9	Very high	97	Very high	110 Å²	110	36.7 Å²	36.7	48%	0.478	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	144.5	-179.5	-61.7	-178.8	-177.8	-180	0	109.4	D51 K52 Y54 D136	D51-K138 CarbonylContact C-O 3.49Å; D51-K138 VanDerWaalsContact CA-O 3.31Å; D51-K138 WeakPolarHBondContact CA-O 3.47Å; D51-K138 WeakPolarHBondContact CB-O 3.21Å; K52-K138 PolarHBondContact N-O 3.01Å; K52-K138 PolarHBondContact O-N 3.16Å; Y54-K138 HydrophobicContact CE2-CD 4.2Å; Y54-K138 HydrophobicContact CE2-CG 4.2Å; D136-K138 WeakPolarHBondContact OD2-CE 3.36Å
139	G	96.9	Very high	97.1	Very high	14 Å²	14	38.8 Å²	38.8	14%	0.144	20%	0.204	C	C	.	.			trans	-60.1	163.6	169.8	0	0	0	0	0	112	D51 D141	D51-G139 WeakPolarHBondContact OD1-CA 3.47Å; G139-D141 PolarHBondContact O-N 3.25Å
140	E	97.1	Very high	97.1	Very high	56 Å²	56	39.1 Å²	39.1	26%	0.262	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	118.4	178.2	-176.9	-174.1	-171.1	0	0	109.9	L142 I149 R150	E140-L142 HydrophobicContact CG-CD2 4.21Å; E140-L142 PolarHBondContact O-N 2.95Å; E140-I149 CarbonylContact O-C 3.56Å; E140-I149 WeakPolarHBondContact O-CA 3.47Å; E140-R150 HydrophobicContact CB-CB 4.44Å; E140-R150 PolarHBondContact N-O 3.05Å; E140-R150 PolarHBondContact O-N 3.47Å; E140-R150 IonicContact OE1-NH2 2.71Å; E140-R150 PolarHBondContact OE1-NH2 3.33Å; E140-R150 IonicContact OE2-CZ 3.77Å; E140-R150 IonicContact OE2-NE 2.72Å; E140-R150 PolarHBondContact OE2-NE 3.46Å; E140-R150 IonicContact OE2-NH2 3.63Å; E140-R150 PolarHBondContact OE2-NH2 3.27Å
141	D	97.3	Very high	97.1	Very high	40 Å²	40	39.5 Å²	39.5	21%	0.214	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	112.6	172.1	-170.7	-21.2	0	0	0	109.4	G139 F143 E144 D145 G146 I149	G139-D141 PolarHBondContact O-N 3.25Å; D141-F143 VanDerWaalsContact C-N 3.29Å; D141-F143 PolarHBondContact O-N 3.47Å; D141-F143 PolarHBondContact OD1-N 2.97Å; D141-E144 WeakPolarHBondContact OD1-CA 3.33Å; D141-E144 PolarHBondContact OD1-N 3.38Å; D141-E144 WeakPolarHBondContact OD2-CA 3.36Å; D141-D145 PolarHBondContact OD1-N 3.14Å; D141-D145 PolarHBondContact OD2-N 3.23Å; D141-G146 VanDerWaalsContact OD2-CA 3.28Å; D141-G146 WeakPolarHBondContact OD2-CA 3.33Å; D141-G146 PolarHBondContact OD2-N 2.97Å; D141-I149 HydrophobicContact CB-CD1 3.86Å
142	L	96.6	Very high	97.1	Very high	10 Å²	10	38.4 Å²	38.4	5%	0.052	20%	0.201	C	C	.	.	S	Bend	trans	-72.3	-23.6	-171.7	-66.4	-171.6	0	0	0	113.7	E140 I148 R150 A205 K208 L217	E140-L142 HydrophobicContact CG-CD2 4.21Å; E140-L142 PolarHBondContact O-N 2.95Å; L142-I148 HydrophobicContact CB-CB 4.41Å; L142-I148 HydrophobicContact CD1-CB 4.4Å; L142-I148 HydrophobicContact CD1-CG2 3.66Å; L142-I148 HydrophobicContact CG-CG2 4.16Å; L142-I148 PolarHBondContact N-O 3Å; L142-R150 HydrophobicContact CD1-CB 4.26Å; L142-R150 HydrophobicContact CD2-CB 3.88Å; L142-R150 HydrophobicContact CG-CB 4.05Å; L142-A205 HydrophobicContact CD1-CB 3.94Å; L142-K208 HydrophobicContact CB-CD 3.84Å; L142-K208 HydrophobicContact CD1-CD 4.19Å; L142-K208 HydrophobicContact CD2-CD 4.08Å; L142-K208 HydrophobicContact CG-CD 4.27Å; L142-K208 WeakPolarHBondContact O-CE 3.27Å; L142-K208 PolarHBondContact O-NZ 3.4Å; L142-L217 HydrophobicContact CD1-CD2 4.4Å
143	F	95.7	Very high	97	Very high	70 Å²	70	42.8 Å²	42.8	31%	0.307	22%	0.221	S	C	.	.	S	Bend	trans	-130.1	5.4	-173.1	-63.1	-80.1	0	0	0	113.6	D141 D145 I148 K204 K208 Y223	D141-F143 VanDerWaalsContact C-N 3.29Å; D141-F143 PolarHBondContact O-N 3.47Å; D141-F143 PolarHBondContact OD1-N 2.97Å; F143-D145 PolarHBondContact O-N 3.41Å; F143-I148 HydrophobicContact CD2-CB 4.33Å; F143-I148 HydrophobicContact CD2-CD1 3.87Å; F143-I148 HydrophobicContact CD2-CG1 4.41Å; F143-I148 HydrophobicContact CE2-CD1 3.57Å; F143-K204 HydrophobicContact CE2-CB 4.04Å; F143-K204 HydrophobicContact CZ-CB 3.81Å; F143-K208 VanDerWaalsContact CE1-CE 3.43Å; F143-K208 HydrophobicContact CE2-CD 4.49Å; F143-K208 HydrophobicContact CZ-CD 4.17Å; F143-K208 VanDerWaalsContact CZ-CE 3.43Å; F143-Y223 HydrophobicContact CD2-CE1 4.49Å
144	E	94.8	Very high	96.9	Very high	151 Å²	151	46 Å²	46	71%	0.706	23%	0.231	S	C	*	.	S	Bend	trans	57.8	29.3	178.3	-54.5	-74.6	-173.6	0	0	112.8	D141	D141-E144 WeakPolarHBondContact OD1-CA 3.33Å; D141-E144 PolarHBondContact OD1-N 3.38Å; D141-E144 WeakPolarHBondContact OD2-CA 3.36Å
145	D	94.9	Very high	96.7	Very high	63 Å²	63	51.2 Å²	51.2	34%	0.337	25%	0.254	S	S	.	.	S	Bend	trans	-126.9	5.6	-179.4	75.9	-7.5	0	0	0	113.5	D141 F143 G147 R222 Y223	D141-D145 PolarHBondContact OD1-N 3.14Å; D141-D145 PolarHBondContact OD2-N 3.23Å; F143-D145 PolarHBondContact O-N 3.41Å; D145-G147 PolarHBondContact O-N 3.47Å; D145-G147 WeakPolarHBondContact OD1-CA 3.16Å; D145-G147 PolarHBondContact OD1-N 3.43Å; D145-R222 IonicContact OD2-CZ 3.66Å; D145-R222 IonicContact OD2-NH1 2.77Å; D145-R222 PolarHBondContact OD2-NH1 3.15Å; D145-R222 IonicContact OD2-NH2 3.71Å; D145-Y223 WeakPolarHBondContact OD2-CE2 3.44Å; D145-Y223 PolarHBondContact OD2-OH 3.28Å; D145-Y223 VanDerWaalsContact OD2-OH 3.06Å
146	G	95.2	Very high	96.6	Very high	46 Å²	46	49 Å²	49	47%	0.474	25%	0.245	S	C	.	.	S	Bend	trans	71.2	3.2	-177.6	0	0	0	0	0	114.3	D141	D141-G146 VanDerWaalsContact OD2-CA 3.28Å; D141-G146 WeakPolarHBondContact OD2-CA 3.33Å; D141-G146 PolarHBondContact OD2-N 2.97Å
147	G	96.5	Very high	96.3	Very high	8 Å²	8	52.2 Å²	52.2	8%	0.082	26%	0.259	C	S	.	.	S	Bend	trans	-83	-31.4	-170.7	0	0	0	0	0	114.6	D145 G220 Y223	D145-G147 PolarHBondContact O-N 3.47Å; D145-G147 WeakPolarHBondContact OD1-CA 3.16Å; D145-G147 PolarHBondContact OD1-N 3.43Å; G147-G220 PolarHBondContact O-N 3.27Å; G147-Y223 VanDerWaalsContact CA-CD2 3.47Å
148	I	98.5	Very high	95.8	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	107.2	173.9	-56.7	169.2	0	0	0	109.5	L142 F143 K204 A205 L217 Y218 L219 Y223	L142-I148 HydrophobicContact CB-CB 4.41Å; L142-I148 HydrophobicContact CD1-CB 4.4Å; L142-I148 HydrophobicContact CD1-CG2 3.66Å; L142-I148 HydrophobicContact CG-CG2 4.16Å; L142-I148 PolarHBondContact N-O 3Å; F143-I148 HydrophobicContact CD2-CB 4.33Å; F143-I148 HydrophobicContact CD2-CD1 3.87Å; F143-I148 HydrophobicContact CD2-CG1 4.41Å; F143-I148 HydrophobicContact CE2-CD1 3.57Å; I148-K204 HydrophobicContact CD1-CB 4.18Å; I148-A205 HydrophobicContact CG2-CB 4.43Å; I148-L217 HydrophobicContact CG2-CD2 4.08Å; I148-Y218 WeakPolarHBondContact CA-O 3.42Å; I148-L219 HydrophobicContact CB-CD2 4.47Å; I148-L219 HydrophobicContact CG1-CD2 3.94Å; I148-L219 HydrophobicContact CG2-CD2 3.98Å; I148-Y223 HydrophobicContact CD1-CD1 3.36Å; I148-Y223 HydrophobicContact CD1-CD2 4.34Å; I148-Y223 HydrophobicContact CD1-CE1 3.69Å; I148-Y223 HydrophobicContact CD1-CG 3.69Å; I148-Y223 HydrophobicContact CG1-CD1 3.79Å; I148-Y223 HydrophobicContact CG1-CD2 3.86Å; I148-Y223 HydrophobicContact CG1-CE1 4.24Å; I148-Y223 HydrophobicContact CG1-CE2 4.34Å; I148-Y223 HydrophobicContact CG1-CG 3.54Å
149	I	98.4	Very high	95.4	Very high	43 Å²	43	59.5 Å²	59.5	22%	0.221	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	122.1	174.6	-49.9	-56	0	0	0	109.2	E140 D141 L217 Y218	E140-I149 CarbonylContact O-C 3.56Å; E140-I149 WeakPolarHBondContact O-CA 3.47Å; D141-I149 HydrophobicContact CB-CD1 3.86Å; I149-L217 WeakPolarHBondContact O-CA 3.24Å; I149-Y218 HydrophobicContact CB-CD2 4.34Å; I149-Y218 PolarHBondContact N-O 3.4Å; I149-Y218 PolarHBondContact O-N 3Å
150	R	98.4	Very high	95.3	Very high	13 Å²	13	61.8 Å²	61.8	5%	0.049	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	139.7	178.7	-177.1	173.6	69.8	-177.9	-15.9	111.8	E140 L142 K208 E213 C215 I216 L217	E140-R150 HydrophobicContact CB-CB 4.44Å; E140-R150 PolarHBondContact N-O 3.05Å; E140-R150 PolarHBondContact O-N 3.47Å; E140-R150 IonicContact OE1-NH2 2.71Å; E140-R150 PolarHBondContact OE1-NH2 3.33Å; E140-R150 IonicContact OE2-CZ 3.77Å; E140-R150 IonicContact OE2-NE 2.72Å; E140-R150 PolarHBondContact OE2-NE 3.46Å; E140-R150 IonicContact OE2-NH2 3.63Å; E140-R150 PolarHBondContact OE2-NH2 3.27Å; L142-R150 HydrophobicContact CD1-CB 4.26Å; L142-R150 HydrophobicContact CD2-CB 3.88Å; L142-R150 HydrophobicContact CG-CB 4.05Å; R150-K208 PolarHBondContact NH1-O 2.98Å; R150-E213 IonicContact CZ-OE1 2.68Å; R150-E213 IonicContact NE-OE1 2.74Å; R150-E213 IonicContact NH1-OE1 3.78Å; R150-E213 PolarHBondContact NH1-OE1 3.13Å; R150-E213 IonicContact NH1-OE2 2.77Å; R150-C215 HydrophobicContact CG-CB 3.88Å; R150-I216 CarbonylContact C-O 3.46Å; R150-I216 WeakPolarHBondContact CA-O 3.41Å; R150-L217 HydrophobicContact CB-CD2 3.9Å; R150-L217 HydrophobicContact CG-CD2 3.94Å
151	R	97.6	Very high	95.3	Very high	16 Å²	16	61.9 Å²	61.9	6%	0.06	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	110	169.2	-58.2	-74.2	-70.8	-148.9	-6.4	109.4	T46 M48 D51 F137 K153 C215 I216 Y218	T46-R151 PolarHBondContact O-NH2 3.09Å; T46-R151 VanDerWaalsContact O-NH2 3.14Å; M48-R151 HydrophobicContact CE-CB 4.19Å; M48-R151 HydrophobicContact SD-CB 3.84Å; D51-R151 VanDerWaalsContact CG-CZ 3.42Å; D51-R151 WeakPolarHBondContact OD1-CD 3.43Å; D51-R151 IonicContact OD1-CZ 3.56Å; D51-R151 VanDerWaalsContact OD1-CZ 3.28Å; D51-R151 IonicContact OD1-NE 2.67Å; D51-R151 PolarHBondContact OD1-NE 3.44Å; D51-R151 IonicContact OD1-NH1 2.9Å; D51-R151 PolarHBondContact OD1-NH1 3.02Å; D51-R151 VanDerWaalsContact OD1-NH1 3.1Å; D51-R151 IonicContact OD2-CZ 3.51Å; D51-R151 IonicContact OD2-NE 3.4Å; D51-R151 PolarHBondContact OD2-NE 3.5Å; D51-R151 IonicContact OD2-NH1 2.73Å; D51-R151 PolarHBondContact OD2-NH1 2.95Å; D51-R151 IonicContact OD2-NH2 2.86Å; D51-R151 PolarHBondContact OD2-NH2 2.96Å; F137-R151 VanDerWaalsContact CD2-NH1 3.3Å; R151-K153 PolarHBondContact O-N 3.09Å; R151-C215 CarbonylContact O-C 3.59Å; R151-C215 VanDerWaalsContact O-CA 3.29Å; R151-C215 WeakPolarHBondContact O-CA 3.3Å; R151-C215 WeakPolarHBondContact O-CB 3.18Å; R151-I216 HydrophobicContact CB-CB 4.21Å; R151-I216 PolarHBondContact N-O 3.5Å; R151-I216 PolarHBondContact O-N 2.79Å; R151-Y218 HydrophobicContact CG-CD2 4.45Å; R151-Y218 HydrophobicContact CG-CE2 3.75Å
152	T	97.6	Very high	95.4	Very high	6 Å²	6	60.1 Å²	60.1	4%	0.037	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	120.4	-175	-54.7	0	0	0	0	111.3	I49 R154 E213	I49-T152 HydrophobicContact CB-CG2 4.43Å; I49-T152 HydrophobicContact CG2-CG2 4.4Å; I49-T152 VanDerWaalsContact O-CB 3.29Å; I49-T152 WeakPolarHBondContact O-CB 3.43Å; I49-T152 PolarHBondContact O-N 3.19Å; T152-R154 WeakPolarHBondContact CG2-O 3.21Å; T152-E213 HydrophobicContact CG2-CG 4.29Å
153	K	95.8	Very high	95.4	Very high	93 Å²	93	60.8 Å²	60.8	40%	0.404	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	-46.1	173.4	-75	-179.7	133.2	176.4	0	111.6	M48 R151 Q214 I216 E244	M48-K153 HydrophobicContact CE-CB 4.22Å; M48-K153 HydrophobicContact CE-CG 3.44Å; M48-K153 VanDerWaalsContact CE-CG 3.44Å; R151-K153 PolarHBondContact O-N 3.09Å; K153-Q214 WeakPolarHBondContact CA-O 3.33Å; K153-Q214 HydrophobicContact CB-CB 4.33Å; K153-Q214 HydrophobicContact CB-CG 4.11Å; K153-Q214 WeakPolarHBondContact CB-O 3.43Å; K153-Q214 HydrophobicContact CD-CG 4.2Å; K153-Q214 PolarHBondContact N-O 2.87Å; K153-I216 HydrophobicContact CD-CD1 4.28Å; K153-I216 HydrophobicContact CD-CG1 4.13Å; K153-I216 HydrophobicContact CG-CD1 4.4Å; K153-I216 HydrophobicContact CG-CG1 4.37Å; K153-E244 WeakPolarHBondContact CD-OE1 3.36Å; K153-E244 IonicContact NZ-OE1 2.71Å; K153-E244 PolarHBondContact NZ-OE1 2.9Å; K153-E244 IonicContact NZ-OE2 3.96Å; K153-E244 PolarHBondContact NZ-OE2 3.24Å
154	R	95.9	Very high	95.3	Very high	105 Å²	105	60.7 Å²	60.7	40%	0.396	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	130.8	178.1	-173.4	177.7	60.4	-107.9	-6.8	109.1	T152 E212 Q214	T152-R154 WeakPolarHBondContact CG2-O 3.21Å; R154-E212 PolarHBondContact NE-O 2.92Å; R154-E212 PolarHBondContact NH2-O 2.85Å; R154-Q214 HydrophobicContact CB-CB 4Å; R154-Q214 PolarHBondContact N-O 3.39Å; R154-Q214 PolarHBondContact O-N 3.48Å
155	K	94.7	Very high	95.3	Very high	108 Å²	108	54.3 Å²	54.3	47%	0.47	28%	0.283	S	S	.	.			trans	-64.6	138.7	172.9	-68.3	-178.7	178	-179.7	0	109.4	I49 G82	I49-K155 HydrophobicContact CD1-CG 4.1Å; I49-K155 HydrophobicContact CG2-CD 4.41Å; I49-K155 HydrophobicContact CG2-CG 3.98Å; G82-K155 WeakPolarHBondContact O-CE 3.28Å; G82-K155 PolarHBondContact O-NZ 3.18Å
156	G	94.1	Very high	95.4	Very high	13 Å²	13	51.3 Å²	51.3	13%	0.134	27%	0.267	C	S	.	.			trans	-76.4	178.5	168.7	0	0	0	0	0	112.5	R211	G156-R211 CarbonylContact C-O 3.59Å; G156-R211 WeakPolarHBondContact CA-O 3.33Å
157	E	91	Very high	95.6	Very high	110 Å²	110	52.4 Å²	52.4	51%	0.514	27%	0.265	S	S	.	.	B	Isolated β-bridge	trans	-121.3	156.4	176.4	-60.2	-166.9	161.8	0	0	110.7	R211	E157-R211 PolarHBondContact N-O 3.22Å; E157-R211 IonicContact OE2-NH2 3.31Å
158	G	88.9	Confident	95.7	Very high	43 Å²	43	52.2 Å²	52.2	44%	0.443	26%	0.262	S	S	.	.	S	Bend	trans	98.1	179.3	179.2	0	0	0	0	0	113.9	Q210	G158-Q210 PolarHBondContact O-NE2 2.85Å
159	Y	88.3	Confident	95.7	Very high	241 Å²	241	57.1 Å²	57.1	95%	0.945	29%	0.285	S	S	*	.	S	Bend	trans	-114.6	-10.3	-172.3	-56.2	-77.3	0	0	0	113.3
160	S	94.3	Very high	95.7	Very high	62 Å²	62	55.1 Å²	55.1	43%	0.434	28%	0.275	S	S	.	.			trans	-115.4	157.1	-177	53.9	0	0	0	0	111.4
161	N	97.3	Very high	95.7	Very high	58 Å²	58	56.7 Å²	56.7	31%	0.31	28%	0.283	S	S	.	.			trans	-117.7	158.3	171.9	-53	-15	0	0	0	108.9	E207 M209 F250	N161-E207 VanDerWaalsContact CB-O 3.25Å; N161-E207 WeakPolarHBondContact CB-O 3.28Å; N161-E207 PolarHBondContact ND2-O 3.05Å; N161-E207 VanDerWaalsContact ND2-O 3.12Å; N161-M209 PolarHBondContact OD1-O 3.28Å; N161-F250 VanDerWaalsContact C-CE2 3.47Å
162	P	98.1	Very high	95.7	Very high	4 Å²	4	56 Å²	56	3%	0.026	28%	0.28	C	S	.	.	P	Polyproline II helix	trans	-52.6	141.6	165.8	-21.4	29.9	0	0	0	111.4	A166 V168 V190 L206 E207 M209 L247 F250	P162-A166 HydrophobicContact CB-CB 4.01Å; P162-V168 HydrophobicContact CB-CG1 4.05Å; P162-V168 HydrophobicContact CG-CG1 4.06Å; P162-V190 HydrophobicContact CB-CG2 4.2Å; P162-L206 WeakPolarHBondContact CD-O 3.42Å; P162-E207 WeakPolarHBondContact O-CA 3.36Å; P162-M209 VanDerWaalsContact CD-O 3.31Å; P162-M209 WeakPolarHBondContact CD-O 3.33Å; P162-L247 HydrophobicContact CG-CD2 3.76Å; P162-F250 HydrophobicContact CB-CD2 4.12Å; P162-F250 HydrophobicContact CB-CG 4.32Å; P162-F250 HydrophobicContact CG-CB 4.07Å; P162-F250 HydrophobicContact CG-CD1 3.89Å; P162-F250 HydrophobicContact CG-CD2 3.9Å; P162-F250 HydrophobicContact CG-CE1 4.26Å; P162-F250 HydrophobicContact CG-CE2 4.27Å; P162-F250 HydrophobicContact CG-CG 3.7Å; P162-F250 HydrophobicContact CG-CZ 4.45Å
163	N	96.6	Very high	95.8	Very high	24 Å²	24	57.7 Å²	57.7	13%	0.128	29%	0.288	C	S	.	.	P	Polyproline II helix	trans	-102.8	166.6	167	58.6	-12.7	0	0	0	110.5	G165 A166 K252 A253 E255	N163-G165 PolarHBondContact O-N 3.3Å; N163-A166 WeakPolarHBondContact O-CB 3.28Å; N163-A166 PolarHBondContact O-N 3.3Å; N163-K252 WeakPolarHBondContact ND2-CE 3.44Å; N163-K252 WeakPolarHBondContact OD1-CA 3.27Å; N163-K252 WeakPolarHBondContact OD1-CB 3.47Å; N163-A253 PolarHBondContact ND2-O 2.77Å; N163-A253 PolarHBondContact OD1-N 3.08Å; N163-E255 PolarHBondContact ND2-OE1 3.4Å
164	E	94.8	Very high	95.9	Very high	68 Å²	68	53.3 Å²	53.3	32%	0.318	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	128.1	173.8	-168.6	171.7	-105.9	0	0	110	K204 I289	E164-K204 IonicContact OE1-NZ 3.93Å; E164-K204 PolarHBondContact OE1-NZ 3.09Å; E164-I289 HydrophobicContact CG-CG2 4.11Å
165	G	94.3	Very high	96	Very high	16 Å²	16	53.2 Å²	53.2	17%	0.165	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	91.3	-8.3	-170.1	0	0	0	0	0	115.5	N163 T189 V190 A253	N163-G165 PolarHBondContact O-N 3.3Å; G165-T189 WeakPolarHBondContact O-CG2 3.3Å; G165-V190 WeakPolarHBondContact CA-O 3.3Å; G165-V190 PolarHBondContact N-O 3.2Å; G165-A253 VanDerWaalsContact C-CB 3.5Å
166	A	97.7	Very high	96.1	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	26%	0.255	C	S	.	.			trans	-61.5	143.9	173.4	0	0	0	0	0	111.4	P162 N163 T189 V190 E251	P162-A166 HydrophobicContact CB-CB 4.01Å; N163-A166 WeakPolarHBondContact O-CB 3.28Å; N163-A166 PolarHBondContact O-N 3.3Å; A166-T189 CarbonylContact O-C 3.6Å; A166-T189 WeakPolarHBondContact O-CA 3.38Å; A166-V190 HydrophobicContact CB-CG2 4.25Å; A166-V190 PolarHBondContact O-N 3.15Å; A166-E251 CarbonylContact C-O 3.55Å; A166-E251 VanDerWaalsContact CA-O 3.23Å; A166-E251 WeakPolarHBondContact CA-O 3.31Å; A166-E251 VanDerWaalsContact CB-O 3.25Å; A166-E251 WeakPolarHBondContact CB-O 3.43Å
167	T	98.4	Very high	96	Very high	70 Å²	70	51.5 Å²	51.5	43%	0.429	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	131.4	166.7	55.6	0	0	0	0	108.5	F250 E251	T167-F250 CarbonylContact O-C 3.6Å; T167-F250 WeakPolarHBondContact O-CA 3.46Å; T167-F250 WeakPolarHBondContact O-CB 3.37Å; T167-E251 PolarHBondContact N-O 3.45Å; T167-E251 PolarHBondContact O-N 3.48Å
168	V	98.6	Very high	96	Very high	3 Å²	3	55.2 Å²	55.2	2%	0.018	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	146.4	-177.7	-65.3	0	0	0	0	110.2	P162 I170 A187 F188 V190 L206 L247 F250	P162-V168 HydrophobicContact CB-CG1 4.05Å; P162-V168 HydrophobicContact CG-CG1 4.06Å; V168-I170 HydrophobicContact CB-CG2 4.24Å; V168-I170 HydrophobicContact CG2-CG2 4.22Å; V168-A187 WeakPolarHBondContact O-CA 3.24Å; V168-F188 HydrophobicContact CG2-CD1 3.71Å; V168-F188 HydrophobicContact CG2-CE1 3.48Å; V168-F188 VanDerWaalsContact CG2-CE1 3.48Å; V168-F188 HydrophobicContact CG2-CE2 4.36Å; V168-F188 HydrophobicContact CG2-CG 4.25Å; V168-F188 HydrophobicContact CG2-CZ 3.84Å; V168-F188 WeakPolarHBondContact CG2-O 3.46Å; V168-F188 PolarHBondContact N-O 3.04Å; V168-F188 PolarHBondContact O-N 3.08Å; V168-F188 VanDerWaalsContact O-N 3.09Å; V168-V190 HydrophobicContact CG1-CG2 3.52Å; V168-V190 HydrophobicContact CG2-CG2 4.14Å; V168-L206 HydrophobicContact CG2-CD1 4.09Å; V168-L247 HydrophobicContact CB-CD1 4.25Å; V168-L247 HydrophobicContact CG1-CD1 4.32Å; V168-F250 HydrophobicContact CB-CB 4.43Å; V168-F250 HydrophobicContact CG1-CB 3.77Å
169	E	98.7	Very high	96.4	Very high	103 Å²	103	58.5 Å²	58.5	48%	0.481	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	119.5	165.2	-61.9	-176.7	155.4	0	0	108.8	A187 K248 S249	E169-A187 HydrophobicContact CG-CB 4.16Å; E169-K248 HydrophobicContact CB-CB 4.39Å; E169-K248 WeakPolarHBondContact O-CB 3.23Å; E169-K248 PolarHBondContact O-N 3.38Å; E169-S249 WeakPolarHBondContact CB-OG 3.32Å; E169-S249 WeakPolarHBondContact CG-OG 3.42Å; E169-S249 PolarHBondContact N-O 2.8Å; E169-S249 PolarHBondContact O-N 3.2Å; E169-S249 PolarHBondContact OE2-OG 3.02Å
170	I	98.7	Very high	96.8	Very high	1 Å²	1	50.6 Å²	50.6	1%	0.005	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	152.4	-178.1	71.4	167.5	0	0	0	111.7	V168 L172 D185 V186 F188 I202 L206 V245 T246 L247	V168-I170 HydrophobicContact CB-CG2 4.24Å; V168-I170 HydrophobicContact CG2-CG2 4.22Å; I170-L172 HydrophobicContact CD1-CB 4.05Å; I170-L172 HydrophobicContact CD1-CD1 4.05Å; I170-L172 HydrophobicContact CD1-CD2 4.47Å; I170-L172 HydrophobicContact CD1-CG 4.43Å; I170-L172 HydrophobicContact CG1-CB 4.42Å; I170-D185 WeakPolarHBondContact O-CA 3.23Å; I170-V186 HydrophobicContact CD1-CG1 4.09Å; I170-V186 HydrophobicContact CG1-CG1 3.59Å; I170-V186 PolarHBondContact N-O 3.36Å; I170-V186 PolarHBondContact O-N 2.92Å; I170-F188 HydrophobicContact CD1-CE1 3.66Å; I170-F188 HydrophobicContact CD1-CZ 4.36Å; I170-F188 HydrophobicContact CG1-CE1 3.99Å; I170-I202 HydrophobicContact CD1-CG2 4.14Å; I170-L206 HydrophobicContact CG2-CD1 4.47Å; I170-L206 HydrophobicContact CG2-CD2 3.95Å; I170-V245 HydrophobicContact CB-CG1 4.46Å; I170-V245 HydrophobicContact CD1-CG1 4.21Å; I170-T246 CarbonylContact C-O 3.57Å; I170-T246 VanDerWaalsContact CA-O 3.23Å; I170-T246 WeakPolarHBondContact CA-O 3.47Å; I170-T246 WeakPolarHBondContact CB-O 3.4Å; I170-L247 HydrophobicContact CG2-CD1 3.88Å
171	H	98.8	Very high	97	Very high	47 Å²	47	49 Å²	49	22%	0.218	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	132.5	155.4	-172.7	70.9	0	0	0	108.4	E173 D185 V245 T246	H171-E173 IonicContact NE2-OE1 2.82Å; H171-D185 WeakPolarHBondContact CB-OD1 3.28Å; H171-D185 IonicContact CE1-OD1 2.87Å; H171-D185 IonicContact CG-OD1 3.99Å; H171-D185 IonicContact ND1-OD1 2.65Å; H171-D185 PolarHBondContact ND1-OD1 3.43Å; H171-V245 WeakPolarHBondContact O-CA 3.36Å; H171-T246 PolarHBondContact N-O 3.44Å; H171-T246 PolarHBondContact O-N 3.13Å
172	L	97.8	Very high	97	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	123.7	-174.5	-171.8	69.1	0	0	0	110.4	I170 C183 R184 V186 I198 I202 Y243 V245	I170-L172 HydrophobicContact CD1-CB 4.05Å; I170-L172 HydrophobicContact CD1-CD1 4.05Å; I170-L172 HydrophobicContact CD1-CD2 4.47Å; I170-L172 HydrophobicContact CD1-CG 4.43Å; I170-L172 HydrophobicContact CG1-CB 4.42Å; L172-C183 CarbonylContact O-C 3.57Å; L172-C183 VanDerWaalsContact O-CA 3.26Å; L172-C183 WeakPolarHBondContact O-CA 3.32Å; L172-R184 PolarHBondContact N-O 3.16Å; L172-R184 PolarHBondContact O-N 2.92Å; L172-V186 HydrophobicContact CB-CG1 4.41Å; L172-I198 HydrophobicContact CD2-CD1 4.15Å; L172-I198 HydrophobicContact CD2-CG1 3.97Å; L172-I198 HydrophobicContact CD2-CG2 4.4Å; L172-I202 HydrophobicContact CD1-CD1 4.18Å; L172-I202 HydrophobicContact CD1-CG1 4.43Å; L172-I202 HydrophobicContact CD1-CG2 4.44Å; L172-Y243 HydrophobicContact CD1-CD1 3.37Å; L172-Y243 HydrophobicContact CD1-CE1 3.88Å; L172-Y243 HydrophobicContact CD1-CG 4.24Å; L172-Y243 HydrophobicContact CD2-CD1 4.25Å; L172-Y243 HydrophobicContact CD2-CE1 3.89Å; L172-Y243 HydrophobicContact CG-CD1 3.73Å; L172-Y243 HydrophobicContact CG-CE1 3.84Å; L172-V245 HydrophobicContact CD1-CG2 3.76Å
173	E	98.6	Very high	97	Very high	43 Å²	43	49.9 Å²	49.9	20%	0.201	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	124	167	-58.2	-173.4	-167.5	0	0	109.8	H171 M180 D182 Y243 E244	H171-E173 IonicContact NE2-OE1 2.82Å; E173-M180 WeakPolarHBondContact OE2-CE 3.25Å; E173-D182 CarbonylContact C-O 3.53Å; E173-D182 WeakPolarHBondContact CA-O 3.42Å; E173-Y243 CarbonylContact O-C 3.29Å; E173-Y243 WeakPolarHBondContact O-CA 3.16Å; E173-Y243 VanDerWaalsContact O-CD1 3.3Å; E173-Y243 WeakPolarHBondContact O-CD1 3.25Å; E173-E244 HydrophobicContact CB-CB 4.26Å; E173-E244 PolarHBondContact N-O 3.46Å; E173-E244 PolarHBondContact O-N 2.77Å
174	G	98.3	Very high	97.1	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	131.6	-178.7	0	0	0	0	0	112.5	M180 F181 D182 Y243	G174-M180 WeakPolarHBondContact O-CA 3.47Å; G174-F181 VanDerWaalsContact C-CE1 3.47Å; G174-F181 WeakPolarHBondContact O-CD1 3.44Å; G174-F181 PolarHBondContact O-N 2.83Å; G174-D182 PolarHBondContact N-O 2.9Å; G174-D182 PolarHBondContact O-N 3.15Å; G174-Y243 VanDerWaalsContact CA-CD1 3.4Å; G174-Y243 VanDerWaalsContact CA-CE1 3.4Å
175	R	98.2	Very high	97.2	Very high	104 Å²	104	53.7 Å²	53.7	39%	0.392	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	143.2	177.1	-61.5	178.2	-176.2	-109.6	2.7	111.4	R179 M180 F181 I242	R175-R179 CarbonylContact C-O 3.6Å; R175-R179 VanDerWaalsContact CA-O 3.28Å; R175-R179 WeakPolarHBondContact CA-O 3.28Å; R175-M180 HydrophobicContact CG-CB 4.3Å; R175-M180 VanDerWaalsContact NH2-CE 3.27Å; R175-F181 VanDerWaalsContact C-CE1 3.42Å; R175-I242 HydrophobicContact CB-CB 4.46Å; R175-I242 PolarHBondContact N-O 2.94Å; R175-I242 PolarHBondContact O-N 3.07Å
176	C	97.1	Very high	97.4	Very high	30 Å²	30	53.6 Å²	53.6	20%	0.203	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	108.1	172.4	-177.7	0	0	0	0	107	E178 R179 F181 I235 L241	C176-E178 PolarHBondContact O-N 3.15Å; C176-R179 PolarHBondContact N-O 3.02Å; C176-R179 PolarHBondContact O-N 3.04Å; C176-F181 HydrophobicContact CB-CD1 3.94Å; C176-F181 HydrophobicContact CB-CE1 4.01Å; C176-I235 HydrophobicContact CB-CG1 4.43Å; C176-L241 HydrophobicContact CB-CD2 3.92Å
177	G	92.6	Very high	97.5	Very high	55 Å²	55	56.6 Å²	56.6	57%	0.567	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.8	-133.1	-160.8	0	0	0	0	0	110.8	R179	G177-R179 VanDerWaalsContact C-N 3.34Å
178	E	89.9	Confident	97.5	Very high	188 Å²	188	53.7 Å²	53.7	88%	0.879	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-13.6	178.1	-61.1	-171.7	160.2	0	0	113.7	C176	C176-E178 PolarHBondContact O-N 3.15Å
179	R	96.6	Very high	97.5	Very high	112 Å²	112	55.2 Å²	55.2	42%	0.423	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	121.2	-172.4	-175.7	177.4	63.9	86.9	-2.1	111.6	R175 C176 G177 F233 G234	R175-R179 CarbonylContact C-O 3.6Å; R175-R179 VanDerWaalsContact CA-O 3.28Å; R175-R179 WeakPolarHBondContact CA-O 3.28Å; C176-R179 PolarHBondContact N-O 3.02Å; C176-R179 PolarHBondContact O-N 3.04Å; G177-R179 VanDerWaalsContact C-N 3.34Å; R179-F233 VanDerWaalsContact CZ-O 3.27Å; R179-F233 PolarHBondContact NH1-O 3.48Å; R179-F233 PolarHBondContact NH2-O 3.25Å; R179-G234 PolarHBondContact NH2-O 3.25Å
180	M	97.7	Very high	97.4	Very high	75 Å²	75	50.3 Å²	50.3	37%	0.369	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	131.8	166.6	-174.4	-178.1	-76.8	0	0	110.2	E173 G174 R175 C183	E173-M180 WeakPolarHBondContact OE2-CE 3.25Å; G174-M180 WeakPolarHBondContact O-CA 3.47Å; R175-M180 HydrophobicContact CG-CB 4.3Å; R175-M180 VanDerWaalsContact NH2-CE 3.27Å; M180-C183 HydrophobicContact SD-CB 3.86Å
181	F	97.6	Very high	97.2	Very high	27 Å²	27	50.3 Å²	50.3	12%	0.118	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	-17.8	179.5	67.2	-99.9	0	0	0	113.8	G174 R175 C176 F225 F233 I235 L241 Y243	G174-F181 VanDerWaalsContact C-CE1 3.47Å; G174-F181 WeakPolarHBondContact O-CD1 3.44Å; G174-F181 PolarHBondContact O-N 2.83Å; R175-F181 VanDerWaalsContact C-CE1 3.42Å; C176-F181 HydrophobicContact CB-CD1 3.94Å; C176-F181 HydrophobicContact CB-CE1 4.01Å; F181-F225 HydrophobicContact CE2-CE2 4.34Å; F181-F225 HydrophobicContact CZ-CE2 4.39Å; F181-F233 HydrophobicContact CB-CB 4.14Å; F181-F233 HydrophobicContact CD2-CB 3.87Å; F181-F233 HydrophobicContact CD2-CD1 4.25Å; F181-F233 AromaticContact CD2-CD2 3.68Å; F181-F233 HydrophobicContact CD2-CD2 3.68Å; F181-F233 HydrophobicContact CD2-CE2 4.24Å; F181-F233 AromaticContact CD2-CG 3.7Å; F181-F233 HydrophobicContact CD2-CG 3.7Å; F181-F233 AromaticContact CE2-CD2 3.91Å; F181-F233 HydrophobicContact CE2-CD2 3.91Å; F181-F233 HydrophobicContact CE2-CE2 4.32Å; F181-F233 HydrophobicContact CE2-CG 4.39Å; F181-F233 HydrophobicContact CG-CB 4.17Å; F181-F233 HydrophobicContact CG-CG 4.43Å; F181-I235 HydrophobicContact CD1-CD1 3.92Å; F181-I235 HydrophobicContact CD1-CG1 4.46Å; F181-I235 HydrophobicContact CD2-CD1 3.92Å; F181-I235 HydrophobicContact CE1-CD1 3.71Å; F181-I235 HydrophobicContact CE2-CD1 3.75Å; F181-I235 HydrophobicContact CG-CD1 4.02Å; F181-I235 HydrophobicContact CZ-CD1 3.64Å; F181-L241 HydrophobicContact CE1-CD2 3.97Å; F181-L241 HydrophobicContact CZ-CD2 4.25Å; F181-Y243 HydrophobicContact CE2-CE1 4.46Å; F181-Y243 VanDerWaalsContact CE2-OH 3.31Å; F181-Y243 WeakPolarHBondContact CE2-OH 3.32Å; F181-Y243 HydrophobicContact CZ-CE1 4.22Å; F181-Y243 HydrophobicContact CZ-CE2 4.07Å; F181-Y243 AromaticContact CZ-CZ 3.59Å; F181-Y243 WeakPolarHBondContact CZ-OH 3.45Å
182	D	97.4	Very high	97.2	Very high	14 Å²	14	49 Å²	49	8%	0.075	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	142.1	175.6	-157.4	-1.7	0	0	0	109.7	E173 G174 R184	E173-D182 CarbonylContact C-O 3.53Å; E173-D182 WeakPolarHBondContact CA-O 3.42Å; G174-D182 PolarHBondContact N-O 2.9Å; G174-D182 PolarHBondContact O-N 3.15Å; D182-R184 WeakPolarHBondContact OD1-CD 3.2Å; D182-R184 WeakPolarHBondContact OD1-CG 3.44Å; D182-R184 IonicContact OD1-CZ 2.83Å; D182-R184 IonicContact OD1-NE 3.84Å; D182-R184 PolarHBondContact OD1-NE 3.37Å; D182-R184 IonicContact OD1-NH2 3.48Å; D182-R184 IonicContact OD2-CZ 3.18Å; D182-R184 IonicContact OD2-NE 2.88Å; D182-R184 PolarHBondContact OD2-NE 3.17Å; D182-R184 VanDerWaalsContact OD2-NE 3.08Å; D182-R184 IonicContact OD2-NH2 3.66Å; D182-R184 PolarHBondContact OD2-NH2 3.31Å
183	C	98.3	Very high	97.1	Very high	68 Å²	68	49 Å²	49	46%	0.459	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.3	100	178.3	-180	0	0	0	0	108.1	L172 M180	L172-C183 CarbonylContact O-C 3.57Å; L172-C183 VanDerWaalsContact O-CA 3.26Å; L172-C183 WeakPolarHBondContact O-CA 3.32Å; M180-C183 HydrophobicContact SD-CB 3.86Å
184	R	98.4	Very high	96.9	Very high	75 Å²	75	48.5 Å²	48.5	28%	0.283	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.4	162	-176.9	57.5	-176.5	158.6	146	6.1	112.6	L172 D182 H196	L172-R184 PolarHBondContact N-O 3.16Å; L172-R184 PolarHBondContact O-N 2.92Å; D182-R184 WeakPolarHBondContact OD1-CD 3.2Å; D182-R184 WeakPolarHBondContact OD1-CG 3.44Å; D182-R184 IonicContact OD1-CZ 2.83Å; D182-R184 IonicContact OD1-NE 3.84Å; D182-R184 PolarHBondContact OD1-NE 3.37Å; D182-R184 IonicContact OD1-NH2 3.48Å; D182-R184 IonicContact OD2-CZ 3.18Å; D182-R184 IonicContact OD2-NE 2.88Å; D182-R184 PolarHBondContact OD2-NE 3.17Å; D182-R184 VanDerWaalsContact OD2-NE 3.08Å; D182-R184 IonicContact OD2-NH2 3.66Å; D182-R184 PolarHBondContact OD2-NH2 3.31Å; R184-H196 PolarHBondContact NH1-O 2.88Å; R184-H196 PolarHBondContact NH2-O 3.49Å
185	D	98.6	Very high	96.8	Very high	97 Å²	97	51.9 Å²	51.9	52%	0.519	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	134.6	158.8	-68.3	-30.8	0	0	0	109.5	I170 H171 K248	I170-D185 WeakPolarHBondContact O-CA 3.23Å; H171-D185 WeakPolarHBondContact CB-OD1 3.28Å; H171-D185 IonicContact CE1-OD1 2.87Å; H171-D185 IonicContact CG-OD1 3.99Å; H171-D185 IonicContact ND1-OD1 2.65Å; H171-D185 PolarHBondContact ND1-OD1 3.43Å; D185-K248 VanDerWaalsContact OD1-CE 3.27Å; D185-K248 WeakPolarHBondContact OD1-CE 3.45Å; D185-K248 IonicContact OD1-NZ 3.92Å; D185-K248 PolarHBondContact OD1-NZ 3.48Å; D185-K248 IonicContact OD2-NZ 3.81Å; D185-K248 PolarHBondContact OD2-NZ 3.22Å
186	V	98.6	Very high	96.8	Very high	14 Å²	14	50.1 Å²	50.1	9%	0.085	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	136	-178.1	59.9	0	0	0	0	110.4	I170 L172 F188 H196 I198	I170-V186 HydrophobicContact CD1-CG1 4.09Å; I170-V186 HydrophobicContact CG1-CG1 3.59Å; I170-V186 PolarHBondContact N-O 3.36Å; I170-V186 PolarHBondContact O-N 2.92Å; L172-V186 HydrophobicContact CB-CG1 4.41Å; V186-F188 HydrophobicContact CG1-CD1 4.4Å; V186-F188 HydrophobicContact CG2-CD1 4.41Å; V186-H196 HydrophobicContact CG2-CB 4.23Å; V186-I198 HydrophobicContact CG1-CD1 3.9Å; V186-I198 HydrophobicContact CG2-CD1 4.24Å
187	A	98.6	Very high	96.8	Very high	62 Å²	62	50.2 Å²	50.2	51%	0.512	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	129.2	170.6	0	0	0	0	0	108.9	V168 E169	V168-A187 WeakPolarHBondContact O-CA 3.24Å; E169-A187 HydrophobicContact CG-CB 4.16Å
188	F	98.4	Very high	97.1	Very high	9 Å²	9	47.6 Å²	47.6	4%	0.039	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	175	-179.3	73.3	-75.3	0	0	0	111.5	V168 I170 V186 H196 I198 I202 L206	V168-F188 HydrophobicContact CG2-CD1 3.71Å; V168-F188 HydrophobicContact CG2-CE1 3.48Å; V168-F188 VanDerWaalsContact CG2-CE1 3.48Å; V168-F188 HydrophobicContact CG2-CE2 4.36Å; V168-F188 HydrophobicContact CG2-CG 4.25Å; V168-F188 HydrophobicContact CG2-CZ 3.84Å; V168-F188 WeakPolarHBondContact CG2-O 3.46Å; V168-F188 PolarHBondContact N-O 3.04Å; V168-F188 PolarHBondContact O-N 3.08Å; V168-F188 VanDerWaalsContact O-N 3.09Å; I170-F188 HydrophobicContact CD1-CE1 3.66Å; I170-F188 HydrophobicContact CD1-CZ 4.36Å; I170-F188 HydrophobicContact CG1-CE1 3.99Å; V186-F188 HydrophobicContact CG1-CD1 4.4Å; V186-F188 HydrophobicContact CG2-CD1 4.41Å; F188-H196 WeakPolarHBondContact CB-ND1 3.44Å; F188-I198 HydrophobicContact CD1-CD1 3.77Å; F188-I198 HydrophobicContact CD2-CD1 4.43Å; F188-I198 HydrophobicContact CE1-CD1 3.68Å; F188-I198 HydrophobicContact CE2-CD1 4.35Å; F188-I198 HydrophobicContact CG-CD1 4.16Å; F188-I198 HydrophobicContact CZ-CD1 3.98Å; F188-I202 HydrophobicContact CZ-CG2 4.42Å; F188-L206 HydrophobicContact CE1-CD1 4.19Å; F188-L206 HydrophobicContact CE2-CD1 4.5Å; F188-L206 HydrophobicContact CZ-CD1 3.59Å
189	T	98.2	Very high	97.5	Very high	35 Å²	35	38.7 Å²	38.7	22%	0.215	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	128.3	178	-56.7	0	0	0	0	110.5	G165 A166 G191 E192	G165-T189 WeakPolarHBondContact O-CG2 3.3Å; A166-T189 CarbonylContact O-C 3.6Å; A166-T189 WeakPolarHBondContact O-CA 3.38Å; T189-G191 PolarHBondContact O-N 3.29Å; T189-E192 HydrophobicContact CG2-CG 4.27Å; T189-E192 WeakPolarHBondContact O-CA 3.43Å; T189-E192 WeakPolarHBondContact O-CB 3.33Å; T189-E192 PolarHBondContact O-N 2.84Å
190	V	98.1	Very high	97.5	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	129	176.8	179.4	0	0	0	0	110.2	P162 G165 A166 V168 D203 L206 E207	P162-V190 HydrophobicContact CB-CG2 4.2Å; G165-V190 WeakPolarHBondContact CA-O 3.3Å; G165-V190 PolarHBondContact N-O 3.2Å; A166-V190 HydrophobicContact CB-CG2 4.25Å; A166-V190 PolarHBondContact O-N 3.15Å; V168-V190 HydrophobicContact CG1-CG2 3.52Å; V168-V190 HydrophobicContact CG2-CG2 4.14Å; V190-D203 HydrophobicContact CG1-CB 4.26Å; V190-L206 HydrophobicContact CG2-CD1 4.41Å; V190-E207 HydrophobicContact CG1-CG 4.15Å
191	G	94.6	Very high	97.5	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.01	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	94.8	-5.4	-171.7	0	0	0	0	0	113.4	T189 D203	T189-G191 PolarHBondContact O-N 3.29Å; G191-D203 WeakPolarHBondContact CA-OD1 3.31Å; G191-D203 PolarHBondContact N-OD1 3.25Å
192	E	96.8	Very high	97.5	Very high	20 Å²	20	29.8 Å²	29.8	9%	0.093	17%	0.165	C	C	.	.			trans	-129	18.6	-174.5	-52	177.7	-176	0	0	111.6	T189 E194 D195 D203 K274 Q290 K293	T189-E192 HydrophobicContact CG2-CG 4.27Å; T189-E192 WeakPolarHBondContact O-CA 3.43Å; T189-E192 WeakPolarHBondContact O-CB 3.33Å; T189-E192 PolarHBondContact O-N 2.84Å; E192-E194 PolarHBondContact O-N 2.86Å; E192-E194 VanDerWaalsContact O-N 3.13Å; E192-D195 WeakPolarHBondContact O-CB 3.37Å; E192-D195 PolarHBondContact O-N 3.02Å; E192-D203 PolarHBondContact N-OD1 3.5Å; E192-K274 IonicContact OE2-NZ 3.64Å; E192-K274 PolarHBondContact OE2-NZ 3.33Å; E192-Q290 PolarHBondContact OE1-NE2 3.08Å; E192-K293 IonicContact OE1-NZ 3.18Å; E192-K293 PolarHBondContact OE1-NZ 2.88Å
193	G	97.1	Very high	97.6	Very high	1 Å²	1	29.2 Å²	29.2	1%	0.01	16%	0.161	C	C	.	.	G	3₁₀ helix	trans	-55.1	-29.3	177.1	0	0	0	0	0	114.2	D195 H196 D197 I198 D203	G193-D195 PolarHBondContact O-N 3.29Å; G193-D195 VanDerWaalsContact O-N 3.15Å; G193-H196 CarbonylContact O-C 3.52Å; G193-H196 WeakPolarHBondContact O-CA 3.36Å; G193-H196 PolarHBondContact O-N 3.3Å; G193-D197 PolarHBondContact O-N 3.31Å; G193-I198 CarbonylContact C-O 3.49Å; G193-I198 VanDerWaalsContact C-O 3.29Å; G193-I198 WeakPolarHBondContact O-CB 3.38Å; G193-I198 PolarHBondContact O-N 3.06Å; G193-D203 PolarHBondContact N-OD1 3.44Å
194	E	94.9	Very high	97.6	Very high	31 Å²	31	28.2 Å²	28.2	15%	0.145	15%	0.149	C	C	.	.	G	3₁₀ helix	trans	-62.7	-22.4	178.3	-174.2	59.6	-148.2	0	0	113.3	E192 H196 D197 I198 K230 K283 Q286	E192-E194 PolarHBondContact O-N 2.86Å; E192-E194 VanDerWaalsContact O-N 3.13Å; E194-H196 PolarHBondContact O-N 2.72Å; E194-D197 PolarHBondContact O-N 3.07Å; E194-I198 PolarHBondContact N-O 2.91Å; E194-K230 IonicContact OE1-NZ 3.27Å; E194-K230 PolarHBondContact OE1-NZ 2.94Å; E194-K283 HydrophobicContact CG-CD 3.74Å; E194-K283 IonicContact OE1-NZ 2.72Å; E194-Q286 HydrophobicContact CB-CG 3.91Å; E194-Q286 HydrophobicContact CG-CG 4.32Å
195	D	96.1	Very high	97.6	Very high	72 Å²	72	24.6 Å²	24.6	39%	0.385	14%	0.136	S	C	.	.	G	3₁₀ helix	trans	-67	-21.8	172.4	-68.6	-7.5	0	0	0	111.7	E192 G193 K274 Y278	E192-D195 WeakPolarHBondContact O-CB 3.37Å; E192-D195 PolarHBondContact O-N 3.02Å; G193-D195 PolarHBondContact O-N 3.29Å; G193-D195 VanDerWaalsContact O-N 3.15Å; D195-K274 WeakPolarHBondContact OD2-CE 3.25Å; D195-K274 IonicContact OD2-NZ 3.58Å; D195-K274 PolarHBondContact OD2-NZ 3.16Å; D195-Y278 WeakPolarHBondContact OD1-CE1 3.34Å; D195-Y278 PolarHBondContact OD1-OH 3Å; D195-Y278 PolarHBondContact OD2-OH 3.27Å
196	H	97.6	Very high	97.6	Very high	66 Å²	66	20 Å²	20	31%	0.306	11%	0.111	S	C	.	.	G	3₁₀ helix	trans	-113.4	16.6	-176.5	-60.8	80.3	0	0	0	112.4	R184 V186 F188 G193 E194 I198	R184-H196 PolarHBondContact NH1-O 2.88Å; R184-H196 PolarHBondContact NH2-O 3.49Å; V186-H196 HydrophobicContact CG2-CB 4.23Å; F188-H196 WeakPolarHBondContact CB-ND1 3.44Å; G193-H196 CarbonylContact O-C 3.52Å; G193-H196 WeakPolarHBondContact O-CA 3.36Å; G193-H196 PolarHBondContact O-N 3.3Å; E194-H196 PolarHBondContact O-N 2.72Å; H196-I198 VanDerWaalsContact C-N 3.28Å; H196-I198 HydrophobicContact CB-CD1 3.99Å; H196-I198 HydrophobicContact CB-CG1 4.14Å; H196-I198 PolarHBondContact O-N 3.41Å
197	D	97.3	Very high	97.5	Very high	33 Å²	33	22.1 Å²	22.1	18%	0.176	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.1	29.9	-174.3	-60.1	-51.3	0	0	0	114.2	G193 E194 F225 K230 K232 F233	G193-D197 PolarHBondContact O-N 3.31Å; E194-D197 PolarHBondContact O-N 3.07Å; D197-F225 WeakPolarHBondContact O-CE1 3.43Å; D197-F225 WeakPolarHBondContact O-CZ 3.4Å; D197-K230 WeakPolarHBondContact OD1-CE 3.16Å; D197-K230 IonicContact OD1-NZ 2.73Å; D197-K230 PolarHBondContact OD1-NZ 2.98Å; D197-K232 IonicContact OD2-NZ 2.69Å; D197-K232 PolarHBondContact OD2-NZ 2.96Å; D197-F233 HydrophobicContact CB-CE2 3.76Å; D197-F233 HydrophobicContact CB-CZ 3.89Å
198	I	98.1	Very high	97.5	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	11%	0.113	C	C	.	.			trans	-100.9	131.4	178.5	-58.3	173.8	0	0	0	109.2	L172 V186 F188 G193 E194 H196 I202	L172-I198 HydrophobicContact CD2-CD1 4.15Å; L172-I198 HydrophobicContact CD2-CG1 3.97Å; L172-I198 HydrophobicContact CD2-CG2 4.4Å; V186-I198 HydrophobicContact CG1-CD1 3.9Å; V186-I198 HydrophobicContact CG2-CD1 4.24Å; F188-I198 HydrophobicContact CD1-CD1 3.77Å; F188-I198 HydrophobicContact CD2-CD1 4.43Å; F188-I198 HydrophobicContact CE1-CD1 3.68Å; F188-I198 HydrophobicContact CE2-CD1 4.35Å; F188-I198 HydrophobicContact CG-CD1 4.16Å; F188-I198 HydrophobicContact CZ-CD1 3.98Å; G193-I198 CarbonylContact C-O 3.49Å; G193-I198 VanDerWaalsContact C-O 3.29Å; G193-I198 WeakPolarHBondContact O-CB 3.38Å; G193-I198 PolarHBondContact O-N 3.06Å; E194-I198 PolarHBondContact N-O 2.91Å; H196-I198 VanDerWaalsContact C-N 3.28Å; H196-I198 HydrophobicContact CB-CD1 3.99Å; H196-I198 HydrophobicContact CB-CG1 4.14Å; H196-I198 PolarHBondContact O-N 3.41Å; I198-I202 HydrophobicContact CG2-CB 3.49Å; I198-I202 VanDerWaalsContact CG2-CB 3.49Å; I198-I202 HydrophobicContact CG2-CG1 3.65Å; I198-I202 HydrophobicContact CG2-CG2 3.81Å
199	P	97.7	Very high	97.5	Very high	1 Å²	1	22.7 Å²	22.7	1%	0.006	11%	0.111	C	C	.	.			trans	-74.4	150.4	179.7	30.9	-33.3	0	0	0	111.5	G201 I202 L219 F225 L241 Y243	P199-G201 PolarHBondContact O-N 2.89Å; P199-I202 HydrophobicContact CG-CG1 4.13Å; P199-I202 PolarHBondContact O-N 3.49Å; P199-L219 HydrophobicContact CG-CD1 3.83Å; P199-F225 HydrophobicContact CB-CD1 4.04Å; P199-F225 HydrophobicContact CB-CE1 3.93Å; P199-F225 HydrophobicContact CB-CG 4.42Å; P199-F225 HydrophobicContact CB-CZ 4.21Å; P199-F225 HydrophobicContact CG-CE1 4.32Å; P199-F225 HydrophobicContact CG-CE2 4.46Å; P199-F225 HydrophobicContact CG-CZ 4.14Å; P199-L241 HydrophobicContact CG-CD1 4.28Å; P199-Y243 VanDerWaalsContact CD-OH 3.3Å; P199-Y243 WeakPolarHBondContact CD-OH 2.85Å; P199-Y243 HydrophobicContact CG-CE2 3.71Å
200	I	97	Very high	97.4	Very high	27 Å²	27	24 Å²	24	14%	0.138	11%	0.114	C	C	.	.	H	α-helix	trans	-56.2	-24.6	-173.2	-169.1	59.4	0	0	0	114.2	I202 D203 K204 I289	I200-I202 PolarHBondContact O-N 3.23Å; I200-D203 HydrophobicContact CD1-CB 4.2Å; I200-D203 PolarHBondContact O-N 3.24Å; I200-K204 HydrophobicContact CG1-CG 4.38Å; I200-K204 PolarHBondContact O-N 3.47Å; I200-K204 VanDerWaalsContact O-N 3.08Å; I200-I289 HydrophobicContact CD1-CD1 3.9Å
201	G	98.1	Very high	97.4	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-61.9	-29.1	176.5	0	0	0	0	0	114	P199 A205 Y223	P199-G201 PolarHBondContact O-N 2.89Å; G201-A205 VanDerWaalsContact O-CB 3.26Å; G201-A205 WeakPolarHBondContact O-CB 3.47Å; G201-A205 PolarHBondContact O-N 2.8Å; G201-Y223 WeakPolarHBondContact CA-O 3.44Å; G201-Y223 PolarHBondContact N-O 3.37Å
202	I	98.6	Very high	97.6	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-70.5	-48.5	176.1	-57.4	-58.5	0	0	0	110.1	I170 L172 F188 I198 P199 I200 K204 A205 L206 L217 L219 Y243 V245	I170-I202 HydrophobicContact CD1-CG2 4.14Å; L172-I202 HydrophobicContact CD1-CD1 4.18Å; L172-I202 HydrophobicContact CD1-CG1 4.43Å; L172-I202 HydrophobicContact CD1-CG2 4.44Å; F188-I202 HydrophobicContact CZ-CG2 4.42Å; I198-I202 HydrophobicContact CG2-CB 3.49Å; I198-I202 VanDerWaalsContact CG2-CB 3.49Å; I198-I202 HydrophobicContact CG2-CG1 3.65Å; I198-I202 HydrophobicContact CG2-CG2 3.81Å; P199-I202 HydrophobicContact CG-CG1 4.13Å; P199-I202 PolarHBondContact O-N 3.49Å; I200-I202 PolarHBondContact O-N 3.23Å; I202-K204 VanDerWaalsContact C-N 3.29Å; I202-K204 PolarHBondContact O-N 2.79Å; I202-A205 PolarHBondContact O-N 3.4Å; I202-L206 HydrophobicContact CG2-CD1 3.98Å; I202-L206 HydrophobicContact CG2-CG 4.37Å; I202-L206 VanDerWaalsContact O-CG 3.27Å; I202-L206 WeakPolarHBondContact O-CG 3.31Å; I202-L206 PolarHBondContact O-N 2.78Å; I202-L217 HydrophobicContact CD1-CD1 3.91Å; I202-L219 HydrophobicContact CD1-CD1 3.99Å; I202-L219 HydrophobicContact CG1-CD1 4.31Å; I202-Y243 HydrophobicContact CD1-CD1 4.17Å; I202-Y243 HydrophobicContact CD1-CD2 3.94Å; I202-Y243 HydrophobicContact CD1-CG 3.7Å; I202-V245 HydrophobicContact CD1-CG2 3.97Å
203	D	98.3	Very high	97.6	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.005	15%	0.146	C	C	.	.	H	α-helix	trans	-53.8	-47.8	175.2	-55.9	-114.8	0	0	0	111	V190 G191 E192 G193 I200 L206 E207	V190-D203 HydrophobicContact CG1-CB 4.26Å; G191-D203 WeakPolarHBondContact CA-OD1 3.31Å; G191-D203 PolarHBondContact N-OD1 3.25Å; E192-D203 PolarHBondContact N-OD1 3.5Å; G193-D203 PolarHBondContact N-OD1 3.44Å; I200-D203 HydrophobicContact CD1-CB 4.2Å; I200-D203 PolarHBondContact O-N 3.24Å; D203-L206 PolarHBondContact O-N 3.05Å; D203-E207 PolarHBondContact O-N 3Å
204	K	97.9	Very high	97.7	Very high	47 Å²	47	33.5 Å²	33.5	20%	0.204	15%	0.154	C	C	.	.	H	α-helix	trans	-69.2	-32.5	179.9	-66.8	-50.2	178.2	-167.1	0	114	F143 I148 E164 I200 I202 E207	F143-K204 HydrophobicContact CE2-CB 4.04Å; F143-K204 HydrophobicContact CZ-CB 3.81Å; I148-K204 HydrophobicContact CD1-CB 4.18Å; E164-K204 IonicContact OE1-NZ 3.93Å; E164-K204 PolarHBondContact OE1-NZ 3.09Å; I200-K204 HydrophobicContact CG1-CG 4.38Å; I200-K204 PolarHBondContact O-N 3.47Å; I200-K204 VanDerWaalsContact O-N 3.08Å; I202-K204 VanDerWaalsContact C-N 3.29Å; I202-K204 PolarHBondContact O-N 2.79Å; K204-E207 WeakPolarHBondContact CD-OE1 3.48Å; K204-E207 IonicContact NZ-OE1 2.71Å; K204-E207 PolarHBondContact NZ-OE1 3.33Å
205	A	98.4	Very high	97.9	Very high	0 Å²	0	32 Å²	32	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-71	-37.5	173.6	0	0	0	0	0	112	L142 I148 G201 I202 E207 K208 M209 L217	L142-A205 HydrophobicContact CD1-CB 3.94Å; I148-A205 HydrophobicContact CG2-CB 4.43Å; G201-A205 VanDerWaalsContact O-CB 3.26Å; G201-A205 WeakPolarHBondContact O-CB 3.47Å; G201-A205 PolarHBondContact O-N 2.8Å; I202-A205 PolarHBondContact O-N 3.4Å; A205-E207 VanDerWaalsContact C-N 3.28Å; A205-E207 PolarHBondContact O-N 2.63Å; A205-K208 CarbonylContact O-C 3.57Å; A205-K208 WeakPolarHBondContact O-CA 3.1Å; A205-K208 PolarHBondContact O-N 3.03Å; A205-M209 WeakPolarHBondContact O-CG 3.48Å; A205-M209 PolarHBondContact O-N 3.45Å; A205-L217 HydrophobicContact CB-CD1 3.4Å; A205-L217 HydrophobicContact CB-CD2 3.91Å; A205-L217 HydrophobicContact CB-CG 4.32Å
206	L	98.6	Very high	98	Very high	1 Å²	1	29.9 Å²	29.9	1%	0.005	14%	0.136	C	C	.	.	H	α-helix	trans	-60.3	-34.7	-179.1	-76.8	166.8	0	0	0	112.9	P162 V168 I170 F188 V190 I202 D203 K208 M209 V245 L247	P162-L206 WeakPolarHBondContact CD-O 3.42Å; V168-L206 HydrophobicContact CG2-CD1 4.09Å; I170-L206 HydrophobicContact CG2-CD1 4.47Å; I170-L206 HydrophobicContact CG2-CD2 3.95Å; F188-L206 HydrophobicContact CE1-CD1 4.19Å; F188-L206 HydrophobicContact CE2-CD1 4.5Å; F188-L206 HydrophobicContact CZ-CD1 3.59Å; V190-L206 HydrophobicContact CG2-CD1 4.41Å; I202-L206 HydrophobicContact CG2-CD1 3.98Å; I202-L206 HydrophobicContact CG2-CG 4.37Å; I202-L206 VanDerWaalsContact O-CG 3.27Å; I202-L206 WeakPolarHBondContact O-CG 3.31Å; I202-L206 PolarHBondContact O-N 2.78Å; D203-L206 PolarHBondContact O-N 3.05Å; L206-K208 PolarHBondContact O-N 2.97Å; L206-M209 HydrophobicContact CD2-SD 3.98Å; L206-M209 PolarHBondContact O-N 2.93Å; L206-V245 HydrophobicContact CD2-CG1 4.4Å; L206-L247 HydrophobicContact CD2-CB 4.39Å; L206-L247 HydrophobicContact CD2-CD1 4.12Å; L206-L247 HydrophobicContact CD2-CD2 4.32Å
207	E	97.9	Very high	98	Very high	58 Å²	58	26.8 Å²	26.8	27%	0.271	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-17.1	173.8	-63.4	176.7	-141.4	0	0	113.2	N161 P162 V190 D203 K204 A205	N161-E207 VanDerWaalsContact CB-O 3.25Å; N161-E207 WeakPolarHBondContact CB-O 3.28Å; N161-E207 PolarHBondContact ND2-O 3.05Å; N161-E207 VanDerWaalsContact ND2-O 3.12Å; P162-E207 WeakPolarHBondContact O-CA 3.36Å; V190-E207 HydrophobicContact CG1-CG 4.15Å; D203-E207 PolarHBondContact O-N 3Å; K204-E207 WeakPolarHBondContact CD-OE1 3.48Å; K204-E207 IonicContact NZ-OE1 2.71Å; K204-E207 PolarHBondContact NZ-OE1 3.33Å; A205-E207 VanDerWaalsContact C-N 3.28Å; A205-E207 PolarHBondContact O-N 2.63Å
208	K	97.6	Very high	98.1	Very high	83 Å²	83	29.6 Å²	29.6	36%	0.361	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.3	6.3	178.8	-64	172.1	-175.8	-95.4	0	113.4	L142 F143 R150 A205 L206	L142-K208 HydrophobicContact CB-CD 3.84Å; L142-K208 HydrophobicContact CD1-CD 4.19Å; L142-K208 HydrophobicContact CD2-CD 4.08Å; L142-K208 HydrophobicContact CG-CD 4.27Å; L142-K208 WeakPolarHBondContact O-CE 3.27Å; L142-K208 PolarHBondContact O-NZ 3.4Å; F143-K208 VanDerWaalsContact CE1-CE 3.43Å; F143-K208 HydrophobicContact CE2-CD 4.49Å; F143-K208 HydrophobicContact CZ-CD 4.17Å; F143-K208 VanDerWaalsContact CZ-CE 3.43Å; R150-K208 PolarHBondContact NH1-O 2.98Å; A205-K208 CarbonylContact O-C 3.57Å; A205-K208 WeakPolarHBondContact O-CA 3.1Å; A205-K208 PolarHBondContact O-N 3.03Å; L206-K208 PolarHBondContact O-N 2.97Å
209	M	97.8	Very high	98.1	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	13%	0.131	C	C	.	.	P	Polyproline II helix	trans	-102.2	149	178.9	-70.7	-177.9	69.6	0	0	112.1	N161 P162 A205 L206 E213 C215 V245 L247	N161-M209 PolarHBondContact OD1-O 3.28Å; P162-M209 VanDerWaalsContact CD-O 3.31Å; P162-M209 WeakPolarHBondContact CD-O 3.33Å; A205-M209 WeakPolarHBondContact O-CG 3.48Å; A205-M209 PolarHBondContact O-N 3.45Å; L206-M209 HydrophobicContact CD2-SD 3.98Å; L206-M209 PolarHBondContact O-N 2.93Å; M209-E213 WeakPolarHBondContact CA-OE2 3.23Å; M209-E213 HydrophobicContact CE-CB 4.09Å; M209-E213 HydrophobicContact CE-CG 4.11Å; M209-C215 WeakPolarHBondContact CE-SG 3.47Å; M209-C215 VanDerWaalsContact SD-SG 3.68Å; M209-V245 HydrophobicContact CE-CB 4.27Å; M209-V245 HydrophobicContact CE-CG1 4.06Å; M209-V245 HydrophobicContact SD-CB 4.44Å; M209-V245 HydrophobicContact SD-CG1 4.14Å; M209-L247 HydrophobicContact CB-CD2 3.97Å; M209-L247 HydrophobicContact CE-CB 4.07Å
210	Q	97.5	Very high	98.1	Very high	61 Å²	61	30.2 Å²	30.2	29%	0.285	14%	0.135	S	C	.	.	P	Polyproline II helix	trans	-99.3	158.9	173.2	-65.7	-175.4	-44.7	0	0	111.8	G158 E212 E213 L247	G158-Q210 PolarHBondContact O-NE2 2.85Å; Q210-E212 PolarHBondContact O-N 3.09Å; Q210-E213 PolarHBondContact N-OE2 3.49Å; Q210-E213 WeakPolarHBondContact O-CB 3.36Å; Q210-E213 PolarHBondContact O-N 3.48Å; Q210-E213 VanDerWaalsContact O-N 3.07Å; Q210-L247 WeakPolarHBondContact O-CD2 3.37Å
211	R	97.9	Very high	98	Very high	103 Å²	103	31.5 Å²	31.5	39%	0.389	15%	0.145	S	C	.	.	B	Isolated β-bridge	trans	-56.2	140.1	174.4	-163.8	-173.6	65.3	126.2	12.4	109.9	G156 E157 E213 K248 F250	G156-R211 CarbonylContact C-O 3.59Å; G156-R211 WeakPolarHBondContact CA-O 3.33Å; E157-R211 PolarHBondContact N-O 3.22Å; E157-R211 IonicContact OE2-NH2 3.31Å; R211-E213 PolarHBondContact O-N 3.28Å; R211-E213 VanDerWaalsContact O-N 3.15Å; R211-K248 WeakPolarHBondContact CG-O 3.29Å; R211-F250 HydrophobicContact CB-CD1 4.48Å; R211-F250 HydrophobicContact CB-CE1 4.12Å
212	E	97.6	Very high	97.8	Very high	72 Å²	72	40 Å²	40	34%	0.336	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.5	-0.4	-175.7	-51.3	-179.5	-165.5	0	0	115.8	R154 Q210 L247	R154-E212 PolarHBondContact NE-O 2.92Å; R154-E212 PolarHBondContact NH2-O 2.85Å; Q210-E212 PolarHBondContact O-N 3.09Å; E212-L247 WeakPolarHBondContact CA-O 3.38Å; E212-L247 PolarHBondContact N-O 3.13Å
213	E	98.3	Very high	97.7	Very high	9 Å²	9	41.4 Å²	41.4	4%	0.042	18%	0.183	C	C	.	.			trans	-63.2	137.2	174.5	-171.8	177	145.5	0	0	110.5	R150 T152 M209 Q210 R211 T246 L247	R150-E213 IonicContact CZ-OE1 2.68Å; R150-E213 IonicContact NE-OE1 2.74Å; R150-E213 IonicContact NH1-OE1 3.78Å; R150-E213 PolarHBondContact NH1-OE1 3.13Å; R150-E213 IonicContact NH1-OE2 2.77Å; T152-E213 HydrophobicContact CG2-CG 4.29Å; M209-E213 WeakPolarHBondContact CA-OE2 3.23Å; M209-E213 HydrophobicContact CE-CB 4.09Å; M209-E213 HydrophobicContact CE-CG 4.11Å; Q210-E213 PolarHBondContact N-OE2 3.49Å; Q210-E213 WeakPolarHBondContact O-CB 3.36Å; Q210-E213 PolarHBondContact O-N 3.48Å; Q210-E213 VanDerWaalsContact O-N 3.07Å; R211-E213 PolarHBondContact O-N 3.28Å; R211-E213 VanDerWaalsContact O-N 3.15Å; E213-T246 WeakPolarHBondContact O-CA 3.47Å; E213-L247 PolarHBondContact O-N 3.05Å
214	Q	98.6	Very high	97.6	Very high	39 Å²	39	41.7 Å²	41.7	18%	0.182	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	126	170.1	-175.7	175.3	5.3	0	0	108.9	K153 R154 E244 V245 T246	K153-Q214 WeakPolarHBondContact CA-O 3.33Å; K153-Q214 HydrophobicContact CB-CB 4.33Å; K153-Q214 HydrophobicContact CB-CG 4.11Å; K153-Q214 WeakPolarHBondContact CB-O 3.43Å; K153-Q214 HydrophobicContact CD-CG 4.2Å; K153-Q214 PolarHBondContact N-O 2.87Å; R154-Q214 HydrophobicContact CB-CB 4Å; R154-Q214 PolarHBondContact N-O 3.39Å; R154-Q214 PolarHBondContact O-N 3.48Å; Q214-E244 PolarHBondContact NE2-OE1 2.97Å; Q214-V245 WeakPolarHBondContact CA-O 3.48Å; Q214-T246 WeakPolarHBondContact CG-OG1 3.37Å
215	C	98.4	Very high	97.5	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	159.4	-179.1	70	0	0	0	0	112.1	R150 R151 M209 E244 V245	R150-C215 HydrophobicContact CG-CB 3.88Å; R151-C215 CarbonylContact O-C 3.59Å; R151-C215 VanDerWaalsContact O-CA 3.29Å; R151-C215 WeakPolarHBondContact O-CA 3.3Å; R151-C215 WeakPolarHBondContact O-CB 3.18Å; M209-C215 WeakPolarHBondContact CE-SG 3.47Å; M209-C215 VanDerWaalsContact SD-SG 3.68Å; C215-E244 WeakPolarHBondContact O-CA 3.29Å; C215-V245 PolarHBondContact N-O 3.27Å; C215-V245 PolarHBondContact O-N 2.91Å
216	I	98.4	Very high	97.3	Very high	27 Å²	27	41.5 Å²	41.5	14%	0.138	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	133.6	167.3	-54.7	164.6	0	0	0	107	M48 R150 R151 K153 Y218 I242 Y243	M48-I216 HydrophobicContact CE-CD1 4.41Å; R150-I216 CarbonylContact C-O 3.46Å; R150-I216 WeakPolarHBondContact CA-O 3.41Å; R151-I216 HydrophobicContact CB-CB 4.21Å; R151-I216 PolarHBondContact N-O 3.5Å; R151-I216 PolarHBondContact O-N 2.79Å; K153-I216 HydrophobicContact CD-CD1 4.28Å; K153-I216 HydrophobicContact CD-CG1 4.13Å; K153-I216 HydrophobicContact CG-CD1 4.4Å; K153-I216 HydrophobicContact CG-CG1 4.37Å; I216-Y218 HydrophobicContact CG2-CD2 4.36Å; I216-Y218 HydrophobicContact CG2-CE2 3.77Å; I216-I242 HydrophobicContact CG2-CG2 3.62Å; I216-Y243 CarbonylContact C-O 3.47Å; I216-Y243 VanDerWaalsContact CA-O 3.25Å; I216-Y243 WeakPolarHBondContact CA-O 3.45Å
217	L	98.6	Very high	97	Very high	1 Å²	1	49.2 Å²	49.2	1%	0.005	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	123	177.8	-60.9	174.5	0	0	0	109.2	L142 I148 I149 R150 I202 A205 L219 I242 Y243 V245	L142-L217 HydrophobicContact CD1-CD2 4.4Å; I148-L217 HydrophobicContact CG2-CD2 4.08Å; I149-L217 WeakPolarHBondContact O-CA 3.24Å; R150-L217 HydrophobicContact CB-CD2 3.9Å; R150-L217 HydrophobicContact CG-CD2 3.94Å; I202-L217 HydrophobicContact CD1-CD1 3.91Å; A205-L217 HydrophobicContact CB-CD1 3.4Å; A205-L217 HydrophobicContact CB-CD2 3.91Å; A205-L217 HydrophobicContact CB-CG 4.32Å; L217-L219 HydrophobicContact CB-CD2 4.08Å; L217-I242 WeakPolarHBondContact O-CA 3.4Å; L217-Y243 PolarHBondContact N-O 3.32Å; L217-Y243 PolarHBondContact O-N 3.08Å; L217-V245 HydrophobicContact CD1-CG2 3.69Å; L217-V245 HydrophobicContact CG-CG2 4.39Å
218	Y	98.4	Very high	96.6	Very high	92 Å²	92	50.3 Å²	50.3	36%	0.361	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	114.1	168.7	-58.3	-100.3	0	0	0	107.4	I148 I149 R151 I216 I242	I148-Y218 WeakPolarHBondContact CA-O 3.42Å; I149-Y218 HydrophobicContact CB-CD2 4.34Å; I149-Y218 PolarHBondContact N-O 3.4Å; I149-Y218 PolarHBondContact O-N 3Å; R151-Y218 HydrophobicContact CG-CD2 4.45Å; R151-Y218 HydrophobicContact CG-CE2 3.75Å; I216-Y218 HydrophobicContact CG2-CD2 4.36Å; I216-Y218 HydrophobicContact CG2-CE2 3.77Å; Y218-I242 HydrophobicContact CD1-CD1 4.03Å; Y218-I242 HydrophobicContact CD1-CG1 3.76Å; Y218-I242 HydrophobicContact CD1-CG2 4.38Å; Y218-I242 HydrophobicContact CE1-CD1 3.77Å; Y218-I242 HydrophobicContact CE1-CG1 3.96Å; Y218-I242 HydrophobicContact CE1-CG2 4.18Å
219	L	98.4	Very high	96.5	Very high	3 Å²	3	46.7 Å²	46.7	2%	0.016	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	114.9	-178.1	-52.1	-175.1	0	0	0	109.4	I148 P199 I202 L217 E240 L241 Y243	I148-L219 HydrophobicContact CB-CD2 4.47Å; I148-L219 HydrophobicContact CG1-CD2 3.94Å; I148-L219 HydrophobicContact CG2-CD2 3.98Å; P199-L219 HydrophobicContact CG-CD1 3.83Å; I202-L219 HydrophobicContact CD1-CD1 3.99Å; I202-L219 HydrophobicContact CG1-CD1 4.31Å; L217-L219 HydrophobicContact CB-CD2 4.08Å; L219-E240 WeakPolarHBondContact O-CA 3.2Å; L219-L241 HydrophobicContact CB-CB 4.34Å; L219-L241 PolarHBondContact N-O 3.36Å; L219-L241 PolarHBondContact O-N 3.35Å; L219-Y243 HydrophobicContact CD1-CD2 3.65Å; L219-Y243 HydrophobicContact CD1-CE2 3.88Å; L219-Y243 HydrophobicContact CG-CD2 4.28Å
220	G	97.3	Very high	96.5	Very high	10 Å²	10	47.9 Å²	47.9	10%	0.103	24%	0.237	C	C	.	.			trans	-72.7	173.8	170.8	0	0	0	0	0	112.6	G147 R222 Y223 G224	G147-G220 PolarHBondContact O-N 3.27Å; G220-R222 VanDerWaalsContact C-N 3.25Å; G220-R222 PolarHBondContact O-N 3.09Å; G220-R222 VanDerWaalsContact O-N 3.07Å; G220-Y223 PolarHBondContact O-N 3.13Å; G220-G224 PolarHBondContact O-N 2.9Å
221	P	95.4	Very high	96.4	Very high	54 Å²	54	50.3 Å²	50.3	35%	0.351	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-36.3	-172.5	-30	35.8	0	0	0	115.3	Y223 N238	P221-Y223 VanDerWaalsContact C-N 3.27Å; P221-Y223 PolarHBondContact O-N 3.04Å; P221-N238 HydrophobicContact CB-CB 3.96Å; P221-N238 HydrophobicContact CG-CB 4.46Å; P221-N238 WeakPolarHBondContact CG-O 3.45Å
222	R	93.6	Very high	96.3	Very high	178 Å²	178	52.6 Å²	52.6	67%	0.672	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-24.8	179.4	-71.6	178.2	63.9	-143.5	-7.2	113.6	D145 G220	D145-R222 IonicContact OD2-CZ 3.66Å; D145-R222 IonicContact OD2-NH1 2.77Å; D145-R222 PolarHBondContact OD2-NH1 3.15Å; D145-R222 IonicContact OD2-NH2 3.71Å; G220-R222 VanDerWaalsContact C-N 3.25Å; G220-R222 PolarHBondContact O-N 3.09Å; G220-R222 VanDerWaalsContact O-N 3.07Å
223	Y	97	Very high	96.2	Very high	30 Å²	30	50.5 Å²	50.5	12%	0.118	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113	-6.6	-174.3	-67.6	-81.6	0	0	0	113.2	F143 D145 G147 I148 G201 G220 P221	F143-Y223 HydrophobicContact CD2-CE1 4.49Å; D145-Y223 WeakPolarHBondContact OD2-CE2 3.44Å; D145-Y223 PolarHBondContact OD2-OH 3.28Å; D145-Y223 VanDerWaalsContact OD2-OH 3.06Å; G147-Y223 VanDerWaalsContact CA-CD2 3.47Å; I148-Y223 HydrophobicContact CD1-CD1 3.36Å; I148-Y223 HydrophobicContact CD1-CD2 4.34Å; I148-Y223 HydrophobicContact CD1-CE1 3.69Å; I148-Y223 HydrophobicContact CD1-CG 3.69Å; I148-Y223 HydrophobicContact CG1-CD1 3.79Å; I148-Y223 HydrophobicContact CG1-CD2 3.86Å; I148-Y223 HydrophobicContact CG1-CE1 4.24Å; I148-Y223 HydrophobicContact CG1-CE2 4.34Å; I148-Y223 HydrophobicContact CG1-CG 3.54Å; G201-Y223 WeakPolarHBondContact CA-O 3.44Å; G201-Y223 PolarHBondContact N-O 3.37Å; G220-Y223 PolarHBondContact O-N 3.13Å; P221-Y223 VanDerWaalsContact C-N 3.27Å; P221-Y223 PolarHBondContact O-N 3.04Å
224	G	96.6	Very high	96.1	Very high	7 Å²	7	52.5 Å²	52.5	7%	0.072	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-147.2	170.3	0	0	0	0	0	113.1	G220 G226	G220-G224 PolarHBondContact O-N 2.9Å; G224-G226 VanDerWaalsContact C-N 3.29Å; G224-G226 PolarHBondContact O-N 3.18Å
225	F	95.9	Very high	96.1	Very high	23 Å²	23	51 Å²	51	10%	0.101	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	1.4	177	-64.5	-66.7	0	0	0	114	F181 D197 P199 K230 F233 I235 L241	F181-F225 HydrophobicContact CE2-CE2 4.34Å; F181-F225 HydrophobicContact CZ-CE2 4.39Å; D197-F225 WeakPolarHBondContact O-CE1 3.43Å; D197-F225 WeakPolarHBondContact O-CZ 3.4Å; P199-F225 HydrophobicContact CB-CD1 4.04Å; P199-F225 HydrophobicContact CB-CE1 3.93Å; P199-F225 HydrophobicContact CB-CG 4.42Å; P199-F225 HydrophobicContact CB-CZ 4.21Å; P199-F225 HydrophobicContact CG-CE1 4.32Å; P199-F225 HydrophobicContact CG-CE2 4.46Å; P199-F225 HydrophobicContact CG-CZ 4.14Å; F225-K230 HydrophobicContact CB-CB 4.23Å; F225-K230 HydrophobicContact CD1-CB 4.15Å; F225-K230 HydrophobicContact CD1-CD 3.9Å; F225-K230 HydrophobicContact CD1-CG 4.23Å; F225-K230 HydrophobicContact CD2-CB 3.66Å; F225-K230 HydrophobicContact CD2-CG 4.34Å; F225-K230 HydrophobicContact CE1-CB 4.44Å; F225-K230 HydrophobicContact CE1-CD 3.96Å; F225-K230 HydrophobicContact CE1-CG 4.15Å; F225-K230 HydrophobicContact CE2-CB 3.99Å; F225-K230 HydrophobicContact CE2-CG 4.27Å; F225-K230 HydrophobicContact CG-CB 3.76Å; F225-K230 HydrophobicContact CG-CD 4.37Å; F225-K230 HydrophobicContact CG-CG 4.33Å; F225-K230 HydrophobicContact CZ-CB 4.36Å; F225-K230 HydrophobicContact CZ-CD 4.46Å; F225-K230 HydrophobicContact CZ-CG 4.16Å; F225-F233 HydrophobicContact CE2-CD2 4.36Å; F225-F233 HydrophobicContact CZ-CD2 4.25Å; F225-F233 HydrophobicContact CZ-CE2 4.34Å; F225-I235 HydrophobicContact CD2-CD1 3.7Å; F225-I235 HydrophobicContact CD2-CG2 4.21Å; F225-I235 HydrophobicContact CE2-CD1 3.46Å; F225-I235 VanDerWaalsContact CE2-CD1 3.46Å; F225-L241 HydrophobicContact CD2-CD1 3.58Å; F225-L241 HydrophobicContact CE2-CD1 3.71Å
226	G	92.8	Very high	96	Very high	20 Å²	20	58.1 Å²	58.1	21%	0.206	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	63.3	-157.8	174	0	0	0	0	0	114.9	G224 A228 G229 N238	G224-G226 VanDerWaalsContact C-N 3.29Å; G224-G226 PolarHBondContact O-N 3.18Å; G226-A228 PolarHBondContact O-N 2.97Å; G226-A228 VanDerWaalsContact O-N 3.14Å; G226-G229 PolarHBondContact O-N 2.83Å; G226-N238 VanDerWaalsContact C-OD1 3.27Å; G226-N238 PolarHBondContact O-N 2.94Å
227	E	92.1	Very high	96	Very high	163 Å²	163	60.7 Å²	60.7	76%	0.762	33%	0.329	S	S	*	.	G	3₁₀ helix	trans	-62.4	-21.7	-174.3	-65.8	-170.8	161.7	0	0	114.2	G229 P237 N238	E227-G229 VanDerWaalsContact C-N 3.34Å; E227-P237 VanDerWaalsContact O-CB 3.22Å; E227-P237 WeakPolarHBondContact O-CB 3.4Å; E227-P237 WeakPolarHBondContact O-CG 3.29Å; E227-N238 PolarHBondContact N-OD1 3.15Å
228	A	90.6	Very high	95.8	Very high	82 Å²	82	64 Å²	64	68%	0.678	35%	0.347	S	S	*	.	G	3₁₀ helix	trans	-78.5	-21.4	177.6	0	0	0	0	0	112.6	G226	G226-A228 PolarHBondContact O-N 2.97Å; G226-A228 VanDerWaalsContact O-N 3.14Å
229	G	95.4	Very high	95.8	Very high	6 Å²	6	60.7 Å²	60.7	6%	0.062	34%	0.338	C	S	.	.			trans	58.7	-159.7	-167.7	0	0	0	0	0	112	G226 E227 I235	G226-G229 PolarHBondContact O-N 2.83Å; E227-G229 VanDerWaalsContact C-N 3.34Å; G229-I235 WeakPolarHBondContact CA-O 3.23Å
230	K	96.9	Very high	95.8	Very high	25 Å²	25	67.3 Å²	67.3	11%	0.109	37%	0.369	C	S	.	.	B	Isolated β-bridge	trans	-139.8	89	174.3	-159.2	71.7	168.3	-174.1	0	110.3	E194 D197 F225 K232 F233 G234 I235	E194-K230 IonicContact OE1-NZ 3.27Å; E194-K230 PolarHBondContact OE1-NZ 2.94Å; D197-K230 WeakPolarHBondContact OD1-CE 3.16Å; D197-K230 IonicContact OD1-NZ 2.73Å; D197-K230 PolarHBondContact OD1-NZ 2.98Å; F225-K230 HydrophobicContact CB-CB 4.23Å; F225-K230 HydrophobicContact CD1-CB 4.15Å; F225-K230 HydrophobicContact CD1-CD 3.9Å; F225-K230 HydrophobicContact CD1-CG 4.23Å; F225-K230 HydrophobicContact CD2-CB 3.66Å; F225-K230 HydrophobicContact CD2-CG 4.34Å; F225-K230 HydrophobicContact CE1-CB 4.44Å; F225-K230 HydrophobicContact CE1-CD 3.96Å; F225-K230 HydrophobicContact CE1-CG 4.15Å; F225-K230 HydrophobicContact CE2-CB 3.99Å; F225-K230 HydrophobicContact CE2-CG 4.27Å; F225-K230 HydrophobicContact CG-CB 3.76Å; F225-K230 HydrophobicContact CG-CD 4.37Å; F225-K230 HydrophobicContact CG-CG 4.33Å; F225-K230 HydrophobicContact CZ-CB 4.36Å; F225-K230 HydrophobicContact CZ-CD 4.46Å; F225-K230 HydrophobicContact CZ-CG 4.16Å; K230-K232 VanDerWaalsContact C-N 3.26Å; K230-K232 PolarHBondContact O-N 2.93Å; K230-F233 HydrophobicContact CB-CD2 4.33Å; K230-F233 HydrophobicContact CG-CB 4.49Å; K230-F233 HydrophobicContact CG-CD2 3.65Å; K230-F233 HydrophobicContact CG-CE2 4.26Å; K230-F233 HydrophobicContact CG-CG 4.31Å; K230-F233 CarbonylContact O-C 3.57Å; K230-F233 PolarHBondContact O-N 3.27Å; K230-G234 PolarHBondContact O-N 2.91Å; K230-I235 HydrophobicContact CB-CB 4.07Å; K230-I235 HydrophobicContact CB-CD1 4.26Å; K230-I235 PolarHBondContact N-O 3.48Å; K230-I235 PolarHBondContact O-N 3Å
231	P	95.8	Very high	95.8	Very high	112 Å²	112	67 Å²	67	73%	0.727	37%	0.365	S	S	*	.	G	3₁₀ helix	trans	-56.3	-36.9	-175.7	-28.9	35.7	0	0	0	114	F233 G234	P231-F233 PolarHBondContact O-N 3.36Å; P231-F233 VanDerWaalsContact O-N 3.16Å; P231-G234 PolarHBondContact O-N 3.44Å
232	K	96.1	Very high	96	Very high	151 Å²	151	67.2 Å²	67.2	66%	0.657	36%	0.363	S	S	*	.	G	3₁₀ helix	trans	-54.8	-33.5	176.1	179.2	179.9	171.5	-173.9	0	112.9	D197 K230	D197-K232 IonicContact OD2-NZ 2.69Å; D197-K232 PolarHBondContact OD2-NZ 2.96Å; K230-K232 VanDerWaalsContact C-N 3.26Å; K230-K232 PolarHBondContact O-N 2.93Å
233	F	96.4	Very high	96.2	Very high	28 Å²	28	58.7 Å²	58.7	12%	0.123	33%	0.331	C	S	.	.	G	3₁₀ helix	trans	-102.1	3.4	178.9	-62.6	-37.2	0	0	0	113	R179 F181 D197 F225 K230 P231 I235	R179-F233 VanDerWaalsContact CZ-O 3.27Å; R179-F233 PolarHBondContact NH1-O 3.48Å; R179-F233 PolarHBondContact NH2-O 3.25Å; F181-F233 HydrophobicContact CB-CB 4.14Å; F181-F233 HydrophobicContact CD2-CB 3.87Å; F181-F233 HydrophobicContact CD2-CD1 4.25Å; F181-F233 AromaticContact CD2-CD2 3.68Å; F181-F233 HydrophobicContact CD2-CD2 3.68Å; F181-F233 HydrophobicContact CD2-CE2 4.24Å; F181-F233 AromaticContact CD2-CG 3.7Å; F181-F233 HydrophobicContact CD2-CG 3.7Å; F181-F233 AromaticContact CE2-CD2 3.91Å; F181-F233 HydrophobicContact CE2-CD2 3.91Å; F181-F233 HydrophobicContact CE2-CE2 4.32Å; F181-F233 HydrophobicContact CE2-CG 4.39Å; F181-F233 HydrophobicContact CG-CB 4.17Å; F181-F233 HydrophobicContact CG-CG 4.43Å; D197-F233 HydrophobicContact CB-CE2 3.76Å; D197-F233 HydrophobicContact CB-CZ 3.89Å; F225-F233 HydrophobicContact CE2-CD2 4.36Å; F225-F233 HydrophobicContact CZ-CD2 4.25Å; F225-F233 HydrophobicContact CZ-CE2 4.34Å; K230-F233 HydrophobicContact CB-CD2 4.33Å; K230-F233 HydrophobicContact CG-CB 4.49Å; K230-F233 HydrophobicContact CG-CD2 3.65Å; K230-F233 HydrophobicContact CG-CE2 4.26Å; K230-F233 HydrophobicContact CG-CG 4.31Å; K230-F233 CarbonylContact O-C 3.57Å; K230-F233 PolarHBondContact O-N 3.27Å; P231-F233 PolarHBondContact O-N 3.36Å; P231-F233 VanDerWaalsContact O-N 3.16Å; F233-I235 VanDerWaalsContact C-N 3.29Å; F233-I235 HydrophobicContact CB-CD1 3.69Å; F233-I235 HydrophobicContact CB-CG1 3.84Å; F233-I235 HydrophobicContact CD2-CD1 4.23Å; F233-I235 HydrophobicContact CG-CD1 4.45Å; F233-I235 PolarHBondContact O-N 3.15Å
234	G	96.2	Very high	96.3	Very high	51 Å²	51	59.1 Å²	59.1	53%	0.526	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.5	36.9	-173.9	0	0	0	0	0	112.7	R179 K230 P231	R179-G234 PolarHBondContact NH2-O 3.25Å; K230-G234 PolarHBondContact O-N 2.91Å; P231-G234 PolarHBondContact O-N 3.44Å
235	I	97.7	Very high	96.4	Very high	7 Å²	7	58.8 Å²	58.8	4%	0.036	33%	0.33	C	S	.	.	B	Isolated β-bridge	trans	-99.5	125.4	179.4	-61.8	171.4	0	0	0	108.9	C176 F181 F225 G229 K230 F233 A239 L241	C176-I235 HydrophobicContact CB-CG1 4.43Å; F181-I235 HydrophobicContact CD1-CD1 3.92Å; F181-I235 HydrophobicContact CD1-CG1 4.46Å; F181-I235 HydrophobicContact CD2-CD1 3.92Å; F181-I235 HydrophobicContact CE1-CD1 3.71Å; F181-I235 HydrophobicContact CE2-CD1 3.75Å; F181-I235 HydrophobicContact CG-CD1 4.02Å; F181-I235 HydrophobicContact CZ-CD1 3.64Å; F225-I235 HydrophobicContact CD2-CD1 3.7Å; F225-I235 HydrophobicContact CD2-CG2 4.21Å; F225-I235 HydrophobicContact CE2-CD1 3.46Å; F225-I235 VanDerWaalsContact CE2-CD1 3.46Å; G229-I235 WeakPolarHBondContact CA-O 3.23Å; K230-I235 HydrophobicContact CB-CB 4.07Å; K230-I235 HydrophobicContact CB-CD1 4.26Å; K230-I235 PolarHBondContact N-O 3.48Å; K230-I235 PolarHBondContact O-N 3Å; F233-I235 VanDerWaalsContact C-N 3.29Å; F233-I235 HydrophobicContact CB-CD1 3.69Å; F233-I235 HydrophobicContact CB-CG1 3.84Å; F233-I235 HydrophobicContact CD2-CD1 4.23Å; F233-I235 HydrophobicContact CG-CD1 4.45Å; F233-I235 PolarHBondContact O-N 3.15Å; I235-A239 HydrophobicContact CG2-CB 3.77Å; I235-L241 HydrophobicContact CD1-CD2 4Å; I235-L241 HydrophobicContact CG2-CD2 4.04Å
236	E	97.1	Very high	96.5	Very high	151 Å²	151	58.6 Å²	58.6	71%	0.706	33%	0.331	S	S	*	.	P	Polyproline II helix	trans	-74.9	159.8	179.5	-66	-173.7	175.2	0	0	112.4	N238 A239	E236-N238 PolarHBondContact O-N 3.43Å; E236-A239 WeakPolarHBondContact O-CB 3.48Å; E236-A239 PolarHBondContact O-N 2.96Å
237	P	97.1	Very high	96.8	Very high	80 Å²	80	57.7 Å²	57.7	52%	0.519	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.7	133.6	171.4	-32.7	39.9	0	0	0	113	E227 A239	E227-P237 VanDerWaalsContact O-CB 3.22Å; E227-P237 WeakPolarHBondContact O-CB 3.4Å; E227-P237 WeakPolarHBondContact O-CG 3.29Å; P237-A239 PolarHBondContact O-N 3Å; P237-A239 VanDerWaalsContact O-N 3.09Å
238	N	95.9	Very high	97.1	Very high	71 Å²	71	53.8 Å²	53.8	38%	0.38	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.5	20.2	174.5	-58.9	-44.9	0	0	0	114.8	P221 G226 E227 E236	P221-N238 HydrophobicContact CB-CB 3.96Å; P221-N238 HydrophobicContact CG-CB 4.46Å; P221-N238 WeakPolarHBondContact CG-O 3.45Å; G226-N238 VanDerWaalsContact C-OD1 3.27Å; G226-N238 PolarHBondContact O-N 2.94Å; E227-N238 PolarHBondContact N-OD1 3.15Å; E236-N238 PolarHBondContact O-N 3.43Å
239	A	97.3	Very high	97.4	Very high	22 Å²	22	51.9 Å²	51.9	18%	0.182	28%	0.283	C	S	.	.			trans	-64.4	141.1	175.6	0	0	0	0	0	111.7	I235 E236 P237	I235-A239 HydrophobicContact CG2-CB 3.77Å; E236-A239 WeakPolarHBondContact O-CB 3.48Å; E236-A239 PolarHBondContact O-N 2.96Å; P237-A239 PolarHBondContact O-N 3Å; P237-A239 VanDerWaalsContact O-N 3.09Å
240	E	97.9	Very high	97.6	Very high	143 Å²	143	53.6 Å²	53.6	67%	0.668	29%	0.289	S	S	*	.			trans	-77.1	139.1	171	-64.5	-177.5	178	0	0	110.4	L219	L219-E240 WeakPolarHBondContact O-CA 3.2Å
241	L	98.3	Very high	97.6	Very high	2 Å²	2	59.3 Å²	59.3	1%	0.01	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	143.3	-175.5	-53.2	174.1	0	0	0	110.3	C176 F181 P199 L219 F225 I235 Y243	C176-L241 HydrophobicContact CB-CD2 3.92Å; F181-L241 HydrophobicContact CE1-CD2 3.97Å; F181-L241 HydrophobicContact CZ-CD2 4.25Å; P199-L241 HydrophobicContact CG-CD1 4.28Å; L219-L241 HydrophobicContact CB-CB 4.34Å; L219-L241 PolarHBondContact N-O 3.36Å; L219-L241 PolarHBondContact O-N 3.35Å; F225-L241 HydrophobicContact CD2-CD1 3.58Å; F225-L241 HydrophobicContact CE2-CD1 3.71Å; I235-L241 HydrophobicContact CD1-CD2 4Å; I235-L241 HydrophobicContact CG2-CD2 4.04Å; L241-Y243 HydrophobicContact CB-CD2 4.09Å; L241-Y243 HydrophobicContact CB-CE2 3.82Å; L241-Y243 HydrophobicContact CD1-CE2 3.93Å; L241-Y243 HydrophobicContact CG-CE2 4.5Å
242	I	98.6	Very high	97.7	Very high	59 Å²	59	58.5 Å²	58.5	30%	0.303	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	121.7	173.4	-53.5	174.7	0	0	0	107.1	R175 I216 L217 Y218	R175-I242 HydrophobicContact CB-CB 4.46Å; R175-I242 PolarHBondContact N-O 2.94Å; R175-I242 PolarHBondContact O-N 3.07Å; I216-I242 HydrophobicContact CG2-CG2 3.62Å; L217-I242 WeakPolarHBondContact O-CA 3.4Å; Y218-I242 HydrophobicContact CD1-CD1 4.03Å; Y218-I242 HydrophobicContact CD1-CG1 3.76Å; Y218-I242 HydrophobicContact CD1-CG2 4.38Å; Y218-I242 HydrophobicContact CE1-CD1 3.77Å; Y218-I242 HydrophobicContact CE1-CG1 3.96Å; Y218-I242 HydrophobicContact CE1-CG2 4.18Å
243	Y	98.6	Very high	97.6	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	141.2	175.8	-81.2	-90.5	0	0	0	111.4	L172 E173 G174 F181 P199 I202 I216 L217 L219 L241	L172-Y243 HydrophobicContact CD1-CD1 3.37Å; L172-Y243 HydrophobicContact CD1-CE1 3.88Å; L172-Y243 HydrophobicContact CD1-CG 4.24Å; L172-Y243 HydrophobicContact CD2-CD1 4.25Å; L172-Y243 HydrophobicContact CD2-CE1 3.89Å; L172-Y243 HydrophobicContact CG-CD1 3.73Å; L172-Y243 HydrophobicContact CG-CE1 3.84Å; E173-Y243 CarbonylContact O-C 3.29Å; E173-Y243 WeakPolarHBondContact O-CA 3.16Å; E173-Y243 VanDerWaalsContact O-CD1 3.3Å; E173-Y243 WeakPolarHBondContact O-CD1 3.25Å; G174-Y243 VanDerWaalsContact CA-CD1 3.4Å; G174-Y243 VanDerWaalsContact CA-CE1 3.4Å; F181-Y243 HydrophobicContact CE2-CE1 4.46Å; F181-Y243 VanDerWaalsContact CE2-OH 3.31Å; F181-Y243 WeakPolarHBondContact CE2-OH 3.32Å; F181-Y243 HydrophobicContact CZ-CE1 4.22Å; F181-Y243 HydrophobicContact CZ-CE2 4.07Å; F181-Y243 AromaticContact CZ-CZ 3.59Å; F181-Y243 WeakPolarHBondContact CZ-OH 3.45Å; P199-Y243 VanDerWaalsContact CD-OH 3.3Å; P199-Y243 WeakPolarHBondContact CD-OH 2.85Å; P199-Y243 HydrophobicContact CG-CE2 3.71Å; I202-Y243 HydrophobicContact CD1-CD1 4.17Å; I202-Y243 HydrophobicContact CD1-CD2 3.94Å; I202-Y243 HydrophobicContact CD1-CG 3.7Å; I216-Y243 CarbonylContact C-O 3.47Å; I216-Y243 VanDerWaalsContact CA-O 3.25Å; I216-Y243 WeakPolarHBondContact CA-O 3.45Å; L217-Y243 PolarHBondContact N-O 3.32Å; L217-Y243 PolarHBondContact O-N 3.08Å; L219-Y243 HydrophobicContact CD1-CD2 3.65Å; L219-Y243 HydrophobicContact CD1-CE2 3.88Å; L219-Y243 HydrophobicContact CG-CD2 4.28Å; L241-Y243 HydrophobicContact CB-CD2 4.09Å; L241-Y243 HydrophobicContact CB-CE2 3.82Å; L241-Y243 HydrophobicContact CD1-CE2 3.93Å; L241-Y243 HydrophobicContact CG-CE2 4.5Å
244	E	98.6	Very high	97.5	Very high	39 Å²	39	56.1 Å²	56.1	18%	0.182	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	121.3	161.2	-174	163.2	166.9	0	0	108.5	K153 E173 Q214 C215	K153-E244 WeakPolarHBondContact CD-OE1 3.36Å; K153-E244 IonicContact NZ-OE1 2.71Å; K153-E244 PolarHBondContact NZ-OE1 2.9Å; K153-E244 IonicContact NZ-OE2 3.96Å; K153-E244 PolarHBondContact NZ-OE2 3.24Å; E173-E244 HydrophobicContact CB-CB 4.26Å; E173-E244 PolarHBondContact N-O 3.46Å; E173-E244 PolarHBondContact O-N 2.77Å; Q214-E244 PolarHBondContact NE2-OE1 2.97Å; C215-E244 WeakPolarHBondContact O-CA 3.29Å
245	V	98.7	Very high	97.4	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	130.6	-175.1	-172.6	0	0	0	0	109	I170 H171 L172 I202 L206 M209 Q214 C215 L217	I170-V245 HydrophobicContact CB-CG1 4.46Å; I170-V245 HydrophobicContact CD1-CG1 4.21Å; H171-V245 WeakPolarHBondContact O-CA 3.36Å; L172-V245 HydrophobicContact CD1-CG2 3.76Å; I202-V245 HydrophobicContact CD1-CG2 3.97Å; L206-V245 HydrophobicContact CD2-CG1 4.4Å; M209-V245 HydrophobicContact CE-CB 4.27Å; M209-V245 HydrophobicContact CE-CG1 4.06Å; M209-V245 HydrophobicContact SD-CB 4.44Å; M209-V245 HydrophobicContact SD-CG1 4.14Å; Q214-V245 WeakPolarHBondContact CA-O 3.48Å; C215-V245 PolarHBondContact N-O 3.27Å; C215-V245 PolarHBondContact O-N 2.91Å; L217-V245 HydrophobicContact CD1-CG2 3.69Å; L217-V245 HydrophobicContact CG-CG2 4.39Å
246	T	98.8	Very high	97.1	Very high	19 Å²	19	56.8 Å²	56.8	12%	0.117	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	115.9	165.1	-56	0	0	0	0	109.2	I170 H171 E213 Q214 K248	I170-T246 CarbonylContact C-O 3.57Å; I170-T246 VanDerWaalsContact CA-O 3.23Å; I170-T246 WeakPolarHBondContact CA-O 3.47Å; I170-T246 WeakPolarHBondContact CB-O 3.4Å; H171-T246 PolarHBondContact N-O 3.44Å; H171-T246 PolarHBondContact O-N 3.13Å; E213-T246 WeakPolarHBondContact O-CA 3.47Å; Q214-T246 WeakPolarHBondContact CG-OG1 3.37Å; T246-K248 PolarHBondContact O-N 3.33Å
247	L	98.6	Very high	96.8	Very high	0 Å²	0	59 Å²	59	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	106.7	174	176.4	53.8	0	0	0	109	P162 V168 I170 L206 M209 Q210 E212 E213 S249 F250	P162-L247 HydrophobicContact CG-CD2 3.76Å; V168-L247 HydrophobicContact CB-CD1 4.25Å; V168-L247 HydrophobicContact CG1-CD1 4.32Å; I170-L247 HydrophobicContact CG2-CD1 3.88Å; L206-L247 HydrophobicContact CD2-CB 4.39Å; L206-L247 HydrophobicContact CD2-CD1 4.12Å; L206-L247 HydrophobicContact CD2-CD2 4.32Å; M209-L247 HydrophobicContact CB-CD2 3.97Å; M209-L247 HydrophobicContact CE-CB 4.07Å; Q210-L247 WeakPolarHBondContact O-CD2 3.37Å; E212-L247 WeakPolarHBondContact CA-O 3.38Å; E212-L247 PolarHBondContact N-O 3.13Å; E213-L247 PolarHBondContact O-N 3.05Å; L247-S249 WeakPolarHBondContact CD1-O 3.45Å; L247-F250 HydrophobicContact CD1-CB 4.44Å; L247-F250 HydrophobicContact CD1-CD1 4.5Å; L247-F250 HydrophobicContact CD2-CD1 4.08Å; L247-F250 HydrophobicContact CD2-CE1 4.49Å; L247-F250 HydrophobicContact CG-CD1 4.48Å
248	K	98.3	Very high	96.7	Very high	82 Å²	82	60.4 Å²	60.4	36%	0.357	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	-53.4	-176.8	-56.7	-176.2	-177.1	-172.9	0	111	E169 D185 R211 T246	E169-K248 HydrophobicContact CB-CB 4.39Å; E169-K248 WeakPolarHBondContact O-CB 3.23Å; E169-K248 PolarHBondContact O-N 3.38Å; D185-K248 VanDerWaalsContact OD1-CE 3.27Å; D185-K248 WeakPolarHBondContact OD1-CE 3.45Å; D185-K248 IonicContact OD1-NZ 3.92Å; D185-K248 PolarHBondContact OD1-NZ 3.48Å; D185-K248 IonicContact OD2-NZ 3.81Å; D185-K248 PolarHBondContact OD2-NZ 3.22Å; R211-K248 WeakPolarHBondContact CG-O 3.29Å; T246-K248 PolarHBondContact O-N 3.33Å
249	S	98.1	Very high	96.7	Very high	41 Å²	41	57.8 Å²	57.8	29%	0.287	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	160.5	-176.6	75.3	0	0	0	0	109.9	E169 L247	E169-S249 WeakPolarHBondContact CB-OG 3.32Å; E169-S249 WeakPolarHBondContact CG-OG 3.42Å; E169-S249 PolarHBondContact N-O 2.8Å; E169-S249 PolarHBondContact O-N 3.2Å; E169-S249 PolarHBondContact OE2-OG 3.02Å; L247-S249 WeakPolarHBondContact CD1-O 3.45Å
250	F	98.4	Very high	96.6	Very high	42 Å²	42	61.3 Å²	61.3	18%	0.184	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	154.8	170.4	69.4	-86.7	0	0	0	111.4	N161 P162 T167 V168 R211 L247 K252	N161-F250 VanDerWaalsContact C-CE2 3.47Å; P162-F250 HydrophobicContact CB-CD2 4.12Å; P162-F250 HydrophobicContact CB-CG 4.32Å; P162-F250 HydrophobicContact CG-CB 4.07Å; P162-F250 HydrophobicContact CG-CD1 3.89Å; P162-F250 HydrophobicContact CG-CD2 3.9Å; P162-F250 HydrophobicContact CG-CE1 4.26Å; P162-F250 HydrophobicContact CG-CE2 4.27Å; P162-F250 HydrophobicContact CG-CG 3.7Å; P162-F250 HydrophobicContact CG-CZ 4.45Å; T167-F250 CarbonylContact O-C 3.6Å; T167-F250 WeakPolarHBondContact O-CA 3.46Å; T167-F250 WeakPolarHBondContact O-CB 3.37Å; V168-F250 HydrophobicContact CB-CB 4.43Å; V168-F250 HydrophobicContact CG1-CB 3.77Å; R211-F250 HydrophobicContact CB-CD1 4.48Å; R211-F250 HydrophobicContact CB-CE1 4.12Å; L247-F250 HydrophobicContact CD1-CB 4.44Å; L247-F250 HydrophobicContact CD1-CD1 4.5Å; L247-F250 HydrophobicContact CD2-CD1 4.08Å; L247-F250 HydrophobicContact CD2-CE1 4.49Å; L247-F250 HydrophobicContact CG-CD1 4.48Å; F250-K252 HydrophobicContact CD2-CG 4.11Å; F250-K252 HydrophobicContact CE2-CD 4.49Å; F250-K252 HydrophobicContact CE2-CG 3.72Å
251	E	98	Very high	96.5	Very high	145 Å²	145	56.2 Å²	56.2	68%	0.678	27%	0.269	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.3	122.3	168.5	-172.8	176	-172.4	0	0	108.3	A166 T167	A166-E251 CarbonylContact C-O 3.55Å; A166-E251 VanDerWaalsContact CA-O 3.23Å; A166-E251 WeakPolarHBondContact CA-O 3.31Å; A166-E251 VanDerWaalsContact CB-O 3.25Å; A166-E251 WeakPolarHBondContact CB-O 3.43Å; T167-E251 PolarHBondContact N-O 3.45Å; T167-E251 PolarHBondContact O-N 3.48Å
252	K	97.4	Very high	96.3	Very high	95 Å²	95	62.5 Å²	62.5	41%	0.413	30%	0.297	S	S	.	.	P	Polyproline II helix	trans	-65.2	142.8	-178.6	-71.2	-164.2	72.1	-158	0	110.5	N163 F250 E255	N163-K252 WeakPolarHBondContact ND2-CE 3.44Å; N163-K252 WeakPolarHBondContact OD1-CA 3.27Å; N163-K252 WeakPolarHBondContact OD1-CB 3.47Å; F250-K252 HydrophobicContact CD2-CG 4.11Å; F250-K252 HydrophobicContact CE2-CD 4.49Å; F250-K252 HydrophobicContact CE2-CG 3.72Å; K252-E255 IonicContact NZ-OE1 3.64Å; K252-E255 PolarHBondContact NZ-OE1 2.72Å
253	A	94.8	Very high	96.2	Very high	27 Å²	27	62 Å²	62	22%	0.223	29%	0.293	C	S	.	.	P	Polyproline II helix	trans	-64.7	149.5	161.7	0	0	0	0	0	109.9	N163 G165 E255	N163-A253 PolarHBondContact ND2-O 2.77Å; N163-A253 PolarHBondContact OD1-N 3.08Å; G165-A253 VanDerWaalsContact C-CB 3.5Å; A253-E255 PolarHBondContact O-N 3.31Å
254	K	94	Very high	96.1	Very high	102 Å²	102	62.3 Å²	62.3	44%	0.443	29%	0.294	S	S	.	.	P	Polyproline II helix	trans	-58.2	134.3	169.8	-71.8	-177.9	178.8	175.9	0	110	E258 M259 E263	K254-E258 WeakPolarHBondContact CA-OE2 3.25Å; K254-E258 HydrophobicContact CB-CB 4.16Å; K254-E258 HydrophobicContact CG-CB 4.42Å; K254-M259 HydrophobicContact CB-CG 3.84Å; K254-M259 HydrophobicContact CB-SD 4.35Å; K254-M259 HydrophobicContact CD-CG 3.89Å; K254-E263 IonicContact NZ-OE1 3.73Å; K254-E263 PolarHBondContact NZ-OE1 2.84Å; K254-E263 IonicContact NZ-OE2 3.08Å; K254-E263 PolarHBondContact NZ-OE2 2.67Å
255	E	92.5	Very high	96	Very high	51 Å²	51	61.7 Å²	61.7	24%	0.238	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-72.4	159.2	169.2	-56.9	-68.2	166.6	0	0	109.9	N163 K252 A253 W257 E258	N163-E255 PolarHBondContact ND2-OE1 3.4Å; K252-E255 IonicContact NZ-OE1 3.64Å; K252-E255 PolarHBondContact NZ-OE1 2.72Å; A253-E255 PolarHBondContact O-N 3.31Å; E255-W257 HydrophobicContact CB-CD2 3.85Å; E255-W257 HydrophobicContact CB-CE3 3.9Å; E255-W257 HydrophobicContact CB-CH2 3.45Å; E255-W257 VanDerWaalsContact CB-CH2 3.45Å; E255-W257 HydrophobicContact CB-CZ2 3.38Å; E255-W257 HydrophobicContact CB-CZ3 3.71Å; E255-W257 HydrophobicContact CG-CH2 3.58Å; E255-W257 HydrophobicContact CG-CZ2 3.5Å; E255-W257 VanDerWaalsContact CG-CZ2 3.5Å; E255-W257 HydrophobicContact CG-CZ3 4.29Å; E255-W257 PolarHBondContact O-N 3.37Å; E255-W257 VanDerWaalsContact O-N 3.12Å; E255-E258 HydrophobicContact CB-CG 4.22Å; E255-E258 PolarHBondContact N-OE2 3.36Å; E255-E258 WeakPolarHBondContact O-CB 3.19Å; E255-E258 PolarHBondContact O-N 2.77Å
256	S	91.5	Very high	95.9	Very high	21 Å²	21	66.7 Å²	66.7	15%	0.147	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-53.4	-38.7	-174.5	-177.6	0	0	0	0	113.6	E258 M259 K264 S296 W297	S256-E258 VanDerWaalsContact C-N 3.31Å; S256-E258 PolarHBondContact O-N 2.97Å; S256-M259 PolarHBondContact O-N 2.92Å; S256-K264 WeakPolarHBondContact O-CE 3.48Å; S256-K264 PolarHBondContact O-NZ 2.86Å; S256-S296 PolarHBondContact OG-O 2.85Å; S256-W297 WeakPolarHBondContact OG-CA 3.47Å
257	W	92.4	Very high	95.7	Very high	198 Å²	198	68.9 Å²	68.9	75%	0.75	33%	0.325	S	S	*	.	G	3₁₀ helix	trans	-77.8	-11.4	179.8	62.3	82.1	0	0	0	114.3	E255 M259	E255-W257 HydrophobicContact CB-CD2 3.85Å; E255-W257 HydrophobicContact CB-CE3 3.9Å; E255-W257 HydrophobicContact CB-CH2 3.45Å; E255-W257 VanDerWaalsContact CB-CH2 3.45Å; E255-W257 HydrophobicContact CB-CZ2 3.38Å; E255-W257 HydrophobicContact CB-CZ3 3.71Å; E255-W257 HydrophobicContact CG-CH2 3.58Å; E255-W257 HydrophobicContact CG-CZ2 3.5Å; E255-W257 VanDerWaalsContact CG-CZ2 3.5Å; E255-W257 HydrophobicContact CG-CZ3 4.29Å; E255-W257 PolarHBondContact O-N 3.37Å; E255-W257 VanDerWaalsContact O-N 3.12Å; W257-M259 VanDerWaalsContact C-N 3.33Å
258	E	94.4	Very high	95.7	Very high	110 Å²	110	68.9 Å²	68.9	51%	0.514	33%	0.325	S	S	.	.	G	3₁₀ helix	trans	-86.8	-8	177.4	-59.8	-177.7	129.5	0	0	112.3	K254 E255 S256	K254-E258 WeakPolarHBondContact CA-OE2 3.25Å; K254-E258 HydrophobicContact CB-CB 4.16Å; K254-E258 HydrophobicContact CG-CB 4.42Å; E255-E258 HydrophobicContact CB-CG 4.22Å; E255-E258 PolarHBondContact N-OE2 3.36Å; E255-E258 WeakPolarHBondContact O-CB 3.19Å; E255-E258 PolarHBondContact O-N 2.77Å; S256-E258 VanDerWaalsContact C-N 3.31Å; S256-E258 PolarHBondContact O-N 2.97Å
259	M	94.8	Very high	95.6	Very high	15 Å²	15	67.2 Å²	67.2	7%	0.074	33%	0.326	C	S	.	.	S	Bend	trans	-103.8	136.4	179.2	-60.9	172	69.8	0	0	110.6	K254 S256 W257 E263 K264 Q267 W297	K254-M259 HydrophobicContact CB-CG 3.84Å; K254-M259 HydrophobicContact CB-SD 4.35Å; K254-M259 HydrophobicContact CD-CG 3.89Å; S256-M259 PolarHBondContact O-N 2.92Å; W257-M259 VanDerWaalsContact C-N 3.33Å; M259-E263 HydrophobicContact CB-CB 4.5Å; M259-E263 HydrophobicContact CE-CB 4.48Å; M259-E263 HydrophobicContact CE-CG 3.82Å; M259-K264 HydrophobicContact CB-CG 3.79Å; M259-K264 HydrophobicContact CE-CG 4.28Å; M259-K264 VanDerWaalsContact O-CE 3.29Å; M259-K264 WeakPolarHBondContact O-CE 3.27Å; M259-Q267 HydrophobicContact CE-CB 3.95Å; M259-Q267 HydrophobicContact CE-CG 3.63Å; M259-W297 HydrophobicContact CE-CZ2 4.5Å; M259-W297 HydrophobicContact SD-CD2 4.47Å; M259-W297 HydrophobicContact SD-CZ2 4.4Å
260	D	95.7	Very high	95.6	Very high	97 Å²	97	70 Å²	70	52%	0.519	34%	0.337	S	S	.	.			trans	-77.7	165.3	169.7	71.4	42.1	0	0	0	111.9	K262 E263 K264	D260-K262 PolarHBondContact O-N 2.84Å; D260-K262 WeakPolarHBondContact OD1-CA 3.37Å; D260-K262 WeakPolarHBondContact OD1-CB 3.38Å; D260-K262 PolarHBondContact OD1-N 2.74Å; D260-E263 PolarHBondContact O-N 3.43Å; D260-E263 WeakPolarHBondContact OD1-CB 3.45Å; D260-E263 PolarHBondContact OD1-N 2.98Å; D260-K264 WeakPolarHBondContact O-CG 3.38Å; D260-K264 PolarHBondContact O-N 3.35Å
261	T	95.3	Very high	95.5	Very high	36 Å²	36	68.4 Å²	68.4	22%	0.221	33%	0.33	C	S	.	.	H	α-helix	trans	-57.5	-36.6	-177.7	-51.3	0	0	0	0	112.9	L265 L304 E308	T261-L265 HydrophobicContact CG2-CD1 4.19Å; T261-L265 VanDerWaalsContact O-CG 3.28Å; T261-L265 WeakPolarHBondContact O-CG 3.26Å; T261-L265 PolarHBondContact O-N 2.96Å; T261-L304 HydrophobicContact CG2-CD2 3.62Å; T261-L304 HydrophobicContact CG2-CG 4.25Å; T261-E308 HydrophobicContact CG2-CB 4.22Å; T261-E308 HydrophobicContact CG2-CG 4.27Å
262	K	95.1	Very high	95.5	Very high	134 Å²	134	64.8 Å²	64.8	58%	0.583	31%	0.312	S	S	*	.	H	α-helix	trans	-68.1	-47.8	-179.5	-180	-172.6	169	-168.7	0	109.9	D260 K264 L265 E266	D260-K262 PolarHBondContact O-N 2.84Å; D260-K262 WeakPolarHBondContact OD1-CA 3.37Å; D260-K262 WeakPolarHBondContact OD1-CB 3.38Å; D260-K262 PolarHBondContact OD1-N 2.74Å; K262-K264 PolarHBondContact O-N 2.85Å; K262-L265 PolarHBondContact O-N 2.71Å; K262-E266 WeakPolarHBondContact CE-OE1 3.35Å; K262-E266 IonicContact NZ-OE1 3.82Å; K262-E266 WeakPolarHBondContact O-CG 3.38Å; K262-E266 PolarHBondContact O-N 2.85Å
263	E	96.2	Very high	95.5	Very high	48 Å²	48	65.7 Å²	65.7	22%	0.224	32%	0.318	C	S	.	.	H	α-helix	trans	-59.3	-45.5	176.1	-169.7	178.5	-175.7	0	0	110.9	K254 M259 D260 L265 E266 Q267	K254-E263 IonicContact NZ-OE1 3.73Å; K254-E263 PolarHBondContact NZ-OE1 2.84Å; K254-E263 IonicContact NZ-OE2 3.08Å; K254-E263 PolarHBondContact NZ-OE2 2.67Å; M259-E263 HydrophobicContact CB-CB 4.5Å; M259-E263 HydrophobicContact CE-CB 4.48Å; M259-E263 HydrophobicContact CE-CG 3.82Å; D260-E263 PolarHBondContact O-N 3.43Å; D260-E263 WeakPolarHBondContact OD1-CB 3.45Å; D260-E263 PolarHBondContact OD1-N 2.98Å; E263-L265 PolarHBondContact O-N 3.29Å; E263-E266 PolarHBondContact O-N 2.92Å; E263-Q267 HydrophobicContact CG-CG 4.38Å; E263-Q267 WeakPolarHBondContact O-CB 3.27Å; E263-Q267 WeakPolarHBondContact O-CG 3.18Å; E263-Q267 PolarHBondContact O-N 2.89Å
264	K	96.8	Very high	95.6	Very high	6 Å²	6	67.1 Å²	67.1	3%	0.026	32%	0.319	C	S	.	.	H	α-helix	trans	-56.9	-46.5	176.2	-73	174.1	176.5	172.4	0	112.4	S256 M259 D260 K262 Q267 A268 W297 L298 E301	S256-K264 WeakPolarHBondContact O-CE 3.48Å; S256-K264 PolarHBondContact O-NZ 2.86Å; M259-K264 HydrophobicContact CB-CG 3.79Å; M259-K264 HydrophobicContact CE-CG 4.28Å; M259-K264 VanDerWaalsContact O-CE 3.29Å; M259-K264 WeakPolarHBondContact O-CE 3.27Å; D260-K264 WeakPolarHBondContact O-CG 3.38Å; D260-K264 PolarHBondContact O-N 3.35Å; K262-K264 PolarHBondContact O-N 2.85Å; K264-Q267 PolarHBondContact O-N 2.87Å; K264-A268 WeakPolarHBondContact O-CB 3.38Å; K264-A268 PolarHBondContact O-N 2.83Å; K264-W297 HydrophobicContact CD-CB 4.38Å; K264-W297 WeakPolarHBondContact CD-O 3.25Å; K264-W297 HydrophobicContact CG-CB 4.19Å; K264-L298 HydrophobicContact CB-CD2 3.93Å; K264-L298 HydrophobicContact CD-CD2 4.43Å; K264-E301 IonicContact NZ-OE1 3.1Å; K264-E301 PolarHBondContact NZ-OE1 2.91Å; K264-E301 IonicContact NZ-OE2 3.44Å; K264-E301 PolarHBondContact NZ-OE2 3.24Å
265	L	96.1	Very high	95.8	Very high	27 Å²	27	62.3 Å²	62.3	14%	0.141	30%	0.298	C	S	.	.	H	α-helix	trans	-68.7	-37.8	-179.5	-69.8	173.6	0	0	0	112.4	T261 K262 E263 A269 L298 E308 A311 F315	T261-L265 HydrophobicContact CG2-CD1 4.19Å; T261-L265 VanDerWaalsContact O-CG 3.28Å; T261-L265 WeakPolarHBondContact O-CG 3.26Å; T261-L265 PolarHBondContact O-N 2.96Å; K262-L265 PolarHBondContact O-N 2.71Å; E263-L265 PolarHBondContact O-N 3.29Å; L265-A269 PolarHBondContact O-N 2.84Å; L265-L298 HydrophobicContact CD2-CD1 4.48Å; L265-L298 HydrophobicContact CD2-CD2 4.41Å; L265-E308 HydrophobicContact CD1-CB 4.25Å; L265-E308 HydrophobicContact CD1-CG 4.17Å; L265-A311 HydrophobicContact CD1-CB 4.37Å; L265-A311 HydrophobicContact CD2-CB 4.16Å; L265-F315 HydrophobicContact CD2-CD2 3.94Å; L265-F315 HydrophobicContact CD2-CE2 4.23Å
266	E	96.5	Very high	96	Very high	105 Å²	105	61.3 Å²	61.3	49%	0.491	30%	0.296	S	S	.	.	H	α-helix	trans	-64.9	-47.4	174.4	-73.3	175.9	-176.7	0	0	111.1	K262 E263 A268 A269 I270	K262-E266 WeakPolarHBondContact CE-OE1 3.35Å; K262-E266 IonicContact NZ-OE1 3.82Å; K262-E266 WeakPolarHBondContact O-CG 3.38Å; K262-E266 PolarHBondContact O-N 2.85Å; E263-E266 PolarHBondContact O-N 2.92Å; E266-A268 PolarHBondContact O-N 2.99Å; E266-A269 PolarHBondContact O-N 2.92Å; E266-I270 PolarHBondContact O-N 3.21Å
267	Q	95.9	Very high	96.3	Very high	65 Å²	65	64.4 Å²	64.4	30%	0.304	31%	0.314	S	S	.	.	H	α-helix	trans	-66.2	-37.4	177.5	-67.3	-54.4	-47.5	0	0	112.4	M259 E263 K264 A269 I270 V271 W297	M259-Q267 HydrophobicContact CE-CB 3.95Å; M259-Q267 HydrophobicContact CE-CG 3.63Å; E263-Q267 HydrophobicContact CG-CG 4.38Å; E263-Q267 WeakPolarHBondContact O-CB 3.27Å; E263-Q267 WeakPolarHBondContact O-CG 3.18Å; E263-Q267 PolarHBondContact O-N 2.89Å; K264-Q267 PolarHBondContact O-N 2.87Å; Q267-A269 PolarHBondContact O-N 3.31Å; Q267-I270 PolarHBondContact O-N 3.32Å; Q267-I270 VanDerWaalsContact O-N 3.09Å; Q267-V271 WeakPolarHBondContact O-CG2 3.49Å; Q267-V271 PolarHBondContact O-N 3.35Å; Q267-W297 HydrophobicContact CB-CE3 4.27Å; Q267-W297 HydrophobicContact CB-CH2 3.8Å; Q267-W297 HydrophobicContact CB-CZ3 3.53Å
268	A	97.3	Very high	96.5	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-57.2	-38.3	176.4	0	0	0	0	0	112.2	K264 E266 K272 I294 L298 F315	K264-A268 WeakPolarHBondContact O-CB 3.38Å; K264-A268 PolarHBondContact O-N 2.83Å; E266-A268 PolarHBondContact O-N 2.99Å; A268-K272 WeakPolarHBondContact O-CB 3.44Å; A268-K272 PolarHBondContact O-N 3.17Å; A268-I294 HydrophobicContact CB-CG1 4.39Å; A268-I294 HydrophobicContact CB-CG2 4.24Å; A268-L298 HydrophobicContact CB-CD1 4.2Å; A268-F315 HydrophobicContact CB-CD1 4.16Å; A268-F315 HydrophobicContact CB-CD2 4.23Å; A268-F315 HydrophobicContact CB-CE1 4.41Å; A268-F315 HydrophobicContact CB-CE2 4.47Å; A268-F315 HydrophobicContact CB-CG 4.09Å
269	A	97.5	Very high	96.7	Very high	47 Å²	47	53 Å²	53	39%	0.388	27%	0.267	S	S	.	.	H	α-helix	trans	-65.1	-43.5	175.5	0	0	0	0	0	112.2	L265 E266 Q267 E273 F315	L265-A269 PolarHBondContact O-N 2.84Å; E266-A269 PolarHBondContact O-N 2.92Å; Q267-A269 PolarHBondContact O-N 3.31Å; A269-E273 PolarHBondContact O-N 3.19Å; A269-F315 HydrophobicContact CB-CE1 4.23Å; A269-F315 HydrophobicContact CB-CZ 3.95Å
270	I	96.6	Very high	96.8	Very high	99 Å²	99	59.8 Å²	59.8	51%	0.508	30%	0.297	S	S	.	.	H	α-helix	trans	-64.6	-52.4	-178.9	-63.2	167	0	0	0	110.6	E266 Q267 K272 E273 K274	E266-I270 PolarHBondContact O-N 3.21Å; Q267-I270 PolarHBondContact O-N 3.32Å; Q267-I270 VanDerWaalsContact O-N 3.09Å; I270-K272 VanDerWaalsContact C-N 3.32Å; I270-K272 PolarHBondContact O-N 3.44Å; I270-E273 PolarHBondContact O-N 2.93Å; I270-K274 PolarHBondContact O-N 3.4Å
271	V	96.5	Very high	96.7	Very high	9 Å²	9	57.9 Å²	57.9	6%	0.055	30%	0.3	C	S	.	.	H	α-helix	trans	-69.2	-30.6	-177.8	-57.3	0	0	0	0	111.9	Q267 K274 G275 Q290 K293 I294 W297	Q267-V271 WeakPolarHBondContact O-CG2 3.49Å; Q267-V271 PolarHBondContact O-N 3.35Å; V271-K274 PolarHBondContact O-N 3.3Å; V271-G275 PolarHBondContact O-N 3.42Å; V271-Q290 HydrophobicContact CB-CB 4.5Å; V271-Q290 WeakPolarHBondContact O-CB 3.34Å; V271-K293 HydrophobicContact CG1-CD 4.07Å; V271-K293 HydrophobicContact CG2-CB 4.41Å; V271-I294 HydrophobicContact CG2-CD1 4Å; V271-I294 HydrophobicContact CG2-CG1 3.45Å; V271-I294 VanDerWaalsContact CG2-CG1 3.45Å; V271-W297 HydrophobicContact CG1-CH2 3.9Å; V271-W297 HydrophobicContact CG1-CZ3 4.13Å; V271-W297 HydrophobicContact CG2-CH2 4.39Å; V271-W297 HydrophobicContact CG2-CZ3 3.85Å
272	K	98	Very high	96.6	Very high	69 Å²	69	57.9 Å²	57.9	30%	0.3	31%	0.307	S	S	.	.	H	α-helix	trans	-61.6	-45.7	172.6	179.3	-176.3	170.4	-174.6	0	111.8	A268 I270 G275 T276 Y291 I294 F315	A268-K272 WeakPolarHBondContact O-CB 3.44Å; A268-K272 PolarHBondContact O-N 3.17Å; I270-K272 VanDerWaalsContact C-N 3.32Å; I270-K272 PolarHBondContact O-N 3.44Å; K272-G275 PolarHBondContact O-N 2.99Å; K272-T276 PolarHBondContact O-N 3.39Å; K272-T276 PolarHBondContact O-OG1 3.44Å; K272-Y291 HydrophobicContact CG-CE1 4.33Å; K272-I294 HydrophobicContact CB-CD1 3.76Å; K272-I294 HydrophobicContact CG-CD1 4.48Å; K272-F315 HydrophobicContact CD-CD1 4.03Å; K272-F315 HydrophobicContact CD-CE1 3.99Å
273	E	97.9	Very high	96.5	Very high	113 Å²	113	54.8 Å²	54.8	53%	0.528	29%	0.294	S	S	.	.	H	α-helix	trans	-66.2	-44.4	178.2	-170.6	57.9	-145	0	0	110.3	A269 I270 G275 T276 V277	A269-E273 PolarHBondContact O-N 3.19Å; I270-E273 PolarHBondContact O-N 2.93Å; E273-G275 PolarHBondContact O-N 3.27Å; E273-T276 WeakPolarHBondContact O-CA 3.08Å; E273-T276 WeakPolarHBondContact O-CB 3.47Å; E273-T276 PolarHBondContact O-N 3.3Å; E273-V277 WeakPolarHBondContact O-CG2 3.39Å; E273-V277 PolarHBondContact O-N 2.99Å
274	K	96.5	Very high	96.4	Very high	58 Å²	58	55.6 Å²	55.6	25%	0.252	30%	0.295	S	S	.	.	H	α-helix	trans	-59.4	-44.2	175.9	-169.8	165.6	-179.6	162.9	0	112.3	E192 D195 I270 V271 T276 V277 Y278 Q290	E192-K274 IonicContact OE2-NZ 3.64Å; E192-K274 PolarHBondContact OE2-NZ 3.33Å; D195-K274 WeakPolarHBondContact OD2-CE 3.25Å; D195-K274 IonicContact OD2-NZ 3.58Å; D195-K274 PolarHBondContact OD2-NZ 3.16Å; I270-K274 PolarHBondContact O-N 3.4Å; V271-K274 PolarHBondContact O-N 3.3Å; K274-T276 VanDerWaalsContact C-N 3.27Å; K274-T276 PolarHBondContact O-N 2.89Å; K274-V277 WeakPolarHBondContact O-CB 3.49Å; K274-V277 PolarHBondContact O-N 3.32Å; K274-Y278 HydrophobicContact CD-CE2 4.23Å; K274-Y278 WeakPolarHBondContact CE-OH 3.43Å; K274-Y278 HydrophobicContact CG-CD2 4.23Å; K274-Y278 HydrophobicContact CG-CE2 3.73Å; K274-Y278 WeakPolarHBondContact O-CD2 3.39Å; K274-Y278 PolarHBondContact O-N 3.26Å; K274-Q290 HydrophobicContact CG-CG 4.33Å
275	G	97.9	Very high	96.2	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-60.7	-35.3	173.1	0	0	0	0	0	112.9	V271 K272 E273 Y278 F279 A287 Y291	V271-G275 PolarHBondContact O-N 3.42Å; K272-G275 PolarHBondContact O-N 2.99Å; E273-G275 PolarHBondContact O-N 3.27Å; G275-Y278 PolarHBondContact O-N 2.83Å; G275-F279 WeakPolarHBondContact O-CB 3.38Å; G275-F279 PolarHBondContact O-N 3.02Å; G275-A287 WeakPolarHBondContact O-CB 3.42Å; G275-Y291 PolarHBondContact O-OH 3.36Å
276	T	97.8	Very high	96.1	Very high	30 Å²	30	59.1 Å²	59.1	18%	0.184	31%	0.312	C	S	.	.	H	α-helix	trans	-68.5	-39.8	176.2	-58.1	0	0	0	0	111.3	K272 E273 K274 F279 K280 Y291	K272-T276 PolarHBondContact O-N 3.39Å; K272-T276 PolarHBondContact O-OG1 3.44Å; E273-T276 WeakPolarHBondContact O-CA 3.08Å; E273-T276 WeakPolarHBondContact O-CB 3.47Å; E273-T276 PolarHBondContact O-N 3.3Å; K274-T276 VanDerWaalsContact C-N 3.27Å; K274-T276 PolarHBondContact O-N 2.89Å; T276-F279 PolarHBondContact O-N 2.98Å; T276-K280 HydrophobicContact CG2-CD 4.28Å; T276-K280 WeakPolarHBondContact O-CG 3.42Å; T276-K280 PolarHBondContact O-N 3.31Å; T276-Y291 VanDerWaalsContact CA-OH 3.24Å; T276-Y291 WeakPolarHBondContact CA-OH 3.06Å; T276-Y291 PolarHBondContact N-OH 2.72Å; T276-Y291 VanDerWaalsContact N-OH 3.1Å; T276-Y291 PolarHBondContact OG1-OH 3.01Å
277	V	97.8	Very high	96.1	Very high	87 Å²	87	54.1 Å²	54.1	53%	0.527	29%	0.288	S	S	.	.	H	α-helix	trans	-60.9	-48.3	173.5	173.1	0	0	0	0	110.5	E273 K274 F279 K280 G281	E273-V277 WeakPolarHBondContact O-CG2 3.39Å; E273-V277 PolarHBondContact O-N 2.99Å; K274-V277 WeakPolarHBondContact O-CB 3.49Å; K274-V277 PolarHBondContact O-N 3.32Å; V277-F279 PolarHBondContact O-N 3.11Å; V277-K280 PolarHBondContact O-N 3.34Å; V277-G281 PolarHBondContact O-N 3.32Å
278	Y	96.9	Very high	96.2	Very high	9 Å²	9	52 Å²	52	4%	0.035	28%	0.28	C	S	.	.	H	α-helix	trans	-60.3	-45.1	176.6	-72.8	-46.6	0	0	0	112.8	D195 K274 G275 K280 G281 G282 K283 Q286 Q290	D195-Y278 WeakPolarHBondContact OD1-CE1 3.34Å; D195-Y278 PolarHBondContact OD1-OH 3Å; D195-Y278 PolarHBondContact OD2-OH 3.27Å; K274-Y278 HydrophobicContact CD-CE2 4.23Å; K274-Y278 WeakPolarHBondContact CE-OH 3.43Å; K274-Y278 HydrophobicContact CG-CD2 4.23Å; K274-Y278 HydrophobicContact CG-CE2 3.73Å; K274-Y278 WeakPolarHBondContact O-CD2 3.39Å; K274-Y278 PolarHBondContact O-N 3.26Å; G275-Y278 PolarHBondContact O-N 2.83Å; Y278-K280 PolarHBondContact O-N 3.06Å; Y278-G281 CarbonylContact O-C 3.59Å; Y278-G281 WeakPolarHBondContact O-CA 3.19Å; Y278-G281 PolarHBondContact O-N 2.96Å; Y278-G281 VanDerWaalsContact O-N 3.11Å; Y278-G282 PolarHBondContact O-N 3.37Å; Y278-K283 HydrophobicContact CD1-CB 4.07Å; Y278-K283 HydrophobicContact CD1-CD 3.88Å; Y278-K283 HydrophobicContact CE1-CD 4.33Å; Y278-K283 HydrophobicContact CG-CB 4.47Å; Y278-K283 PolarHBondContact O-N 3.28Å; Y278-Q286 HydrophobicContact CD1-CB 3.92Å; Y278-Q286 HydrophobicContact CD2-CB 3.72Å; Y278-Q286 HydrophobicContact CE1-CB 4.17Å; Y278-Q286 HydrophobicContact CE2-CB 3.95Å; Y278-Q286 HydrophobicContact CG-CB 3.7Å; Y278-Q290 HydrophobicContact CD2-CG 3.74Å; Y278-Q290 HydrophobicContact CE2-CG 3.73Å
279	F	97.6	Very high	96.1	Very high	58 Å²	58	52.8 Å²	52.8	25%	0.254	28%	0.284	S	S	.	.	H	α-helix	trans	-59.5	-46.1	178.5	-176.4	-89.8	0	0	0	111.8	G275 T276 V277 G281 G282 Y284 A287 M325 K329	G275-F279 WeakPolarHBondContact O-CB 3.38Å; G275-F279 PolarHBondContact O-N 3.02Å; T276-F279 PolarHBondContact O-N 2.98Å; V277-F279 PolarHBondContact O-N 3.11Å; F279-G281 VanDerWaalsContact C-N 3.25Å; F279-G281 PolarHBondContact O-N 2.85Å; F279-G282 PolarHBondContact O-N 2.85Å; F279-Y284 AromaticContact CD2-CD1 3.79Å; F279-Y284 HydrophobicContact CD2-CD1 3.79Å; F279-Y284 HydrophobicContact CD2-CE1 4.04Å; F279-Y284 AromaticContact CE2-CD1 3.91Å; F279-Y284 HydrophobicContact CE2-CD1 3.91Å; F279-Y284 AromaticContact CE2-CE1 3.92Å; F279-Y284 HydrophobicContact CE2-CE1 3.92Å; F279-Y284 HydrophobicContact CZ-CE1 4.36Å; F279-A287 HydrophobicContact CB-CB 4.14Å; F279-M325 HydrophobicContact CE2-CB 4.24Å; F279-M325 HydrophobicContact CE2-CG 3.68Å; F279-M325 HydrophobicContact CZ-CB 4.44Å; F279-M325 HydrophobicContact CZ-CG 3.45Å; F279-M325 VanDerWaalsContact CZ-CG 3.45Å; F279-K329 HydrophobicContact CE2-CG 4.38Å
280	K	96.9	Very high	96.1	Very high	158 Å²	158	50.5 Å²	50.5	69%	0.687	27%	0.265	S	S	*	.	H	α-helix	trans	-63	-33.4	176.3	-73.5	172.5	-179.7	169.2	0	112.2	T276 V277 Y278 G282	T276-K280 HydrophobicContact CG2-CD 4.28Å; T276-K280 WeakPolarHBondContact O-CG 3.42Å; T276-K280 PolarHBondContact O-N 3.31Å; V277-K280 PolarHBondContact O-N 3.34Å; Y278-K280 PolarHBondContact O-N 3.06Å; K280-G282 PolarHBondContact O-N 2.99Å
281	G	93.7	Very high	96.2	Very high	58 Å²	58	46 Å²	46	60%	0.598	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.3	2	174	0	0	0	0	0	114.9	V277 Y278 F279 K283	V277-G281 PolarHBondContact O-N 3.32Å; Y278-G281 CarbonylContact O-C 3.59Å; Y278-G281 WeakPolarHBondContact O-CA 3.19Å; Y278-G281 PolarHBondContact O-N 2.96Å; Y278-G281 VanDerWaalsContact O-N 3.11Å; F279-G281 VanDerWaalsContact C-N 3.25Å; F279-G281 PolarHBondContact O-N 2.85Å; G281-K283 PolarHBondContact O-N 2.8Å
282	G	92.9	Very high	96.2	Very high	35 Å²	35	46.9 Å²	46.9	36%	0.361	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.1	7.3	-176.7	0	0	0	0	0	114.6	Y278 F279 K280 Y284	Y278-G282 PolarHBondContact O-N 3.37Å; F279-G282 PolarHBondContact O-N 2.85Å; K280-G282 PolarHBondContact O-N 2.99Å; G282-Y284 VanDerWaalsContact C-N 3.28Å; G282-Y284 WeakPolarHBondContact O-CD2 3.39Å; G282-Y284 WeakPolarHBondContact O-CE2 3.43Å; G282-Y284 PolarHBondContact O-N 2.86Å; G282-Y284 VanDerWaalsContact O-N 3.08Å
283	K	93.3	Very high	96.1	Very high	69 Å²	69	44.8 Å²	44.8	30%	0.3	24%	0.244	S	C	.	.			trans	-85.5	65.8	179.7	-68.8	-179.5	175.3	-174.4	0	110.1	E194 Y278 G281 M285 Q286 A287	E194-K283 HydrophobicContact CG-CD 3.74Å; E194-K283 IonicContact OE1-NZ 2.72Å; Y278-K283 HydrophobicContact CD1-CB 4.07Å; Y278-K283 HydrophobicContact CD1-CD 3.88Å; Y278-K283 HydrophobicContact CE1-CD 4.33Å; Y278-K283 HydrophobicContact CG-CB 4.47Å; Y278-K283 PolarHBondContact O-N 3.28Å; G281-K283 PolarHBondContact O-N 2.8Å; K283-M285 PolarHBondContact O-N 3.06Å; K283-Q286 HydrophobicContact CB-CB 4.37Å; K283-Q286 PolarHBondContact O-N 3.47Å; K283-Q286 PolarHBondContact O-OE1 2.77Å; K283-A287 PolarHBondContact O-N 2.85Å
284	Y	94.6	Very high	96.1	Very high	66 Å²	66	39.4 Å²	39.4	26%	0.259	22%	0.219	S	C	.	.	H	α-helix	trans	-66.7	-35	-169.2	-52	-61.1	0	0	0	113.5	F279 G282 Q286 A287 V288 K329	F279-Y284 AromaticContact CD2-CD1 3.79Å; F279-Y284 HydrophobicContact CD2-CD1 3.79Å; F279-Y284 HydrophobicContact CD2-CE1 4.04Å; F279-Y284 AromaticContact CE2-CD1 3.91Å; F279-Y284 HydrophobicContact CE2-CD1 3.91Å; F279-Y284 AromaticContact CE2-CE1 3.92Å; F279-Y284 HydrophobicContact CE2-CE1 3.92Å; F279-Y284 HydrophobicContact CZ-CE1 4.36Å; G282-Y284 VanDerWaalsContact C-N 3.28Å; G282-Y284 WeakPolarHBondContact O-CD2 3.39Å; G282-Y284 WeakPolarHBondContact O-CE2 3.43Å; G282-Y284 PolarHBondContact O-N 2.86Å; G282-Y284 VanDerWaalsContact O-N 3.08Å; Y284-Q286 PolarHBondContact O-N 3.08Å; Y284-A287 WeakPolarHBondContact O-CB 3.41Å; Y284-A287 PolarHBondContact O-N 2.93Å; Y284-V288 WeakPolarHBondContact O-CG2 3.39Å; Y284-V288 PolarHBondContact O-N 2.92Å; Y284-K329 HydrophobicContact CD1-CB 3.9Å; Y284-K329 HydrophobicContact CD1-CG 4.12Å; Y284-K329 HydrophobicContact CD2-CB 3.77Å; Y284-K329 HydrophobicContact CE1-CB 3.9Å; Y284-K329 HydrophobicContact CE1-CD 4.44Å; Y284-K329 HydrophobicContact CE1-CG 3.74Å; Y284-K329 HydrophobicContact CE2-CB 3.78Å; Y284-K329 HydrophobicContact CE2-CG 4.28Å; Y284-K329 HydrophobicContact CG-CB 3.84Å
285	M	91.8	Very high	96.1	Very high	86 Å²	86	37.5 Å²	37.5	42%	0.424	21%	0.211	S	C	.	.	H	α-helix	trans	-61.5	-44.7	176.6	-72.8	-61.1	-66.3	0	0	111.6	K283 A287 V288 I289 L330	K283-M285 PolarHBondContact O-N 3.06Å; M285-A287 VanDerWaalsContact C-N 3.35Å; M285-V288 WeakPolarHBondContact O-CB 3.39Å; M285-V288 PolarHBondContact O-N 3.07Å; M285-I289 PolarHBondContact O-N 2.83Å; M285-L330 HydrophobicContact CG-CD1 4.49Å; M285-L330 HydrophobicContact CG-CD2 3.92Å; M285-L330 HydrophobicContact SD-CD1 3.66Å; M285-L330 HydrophobicContact SD-CD2 3.8Å; M285-L330 HydrophobicContact SD-CG 4.38Å
286	Q	94.1	Very high	96.1	Very high	20 Å²	20	41.4 Å²	41.4	9%	0.093	24%	0.239	C	C	.	.	H	α-helix	trans	-67.7	-37.5	177.5	-64	78.4	3.1	0	0	111	E194 Y278 K283 Y284 V288 I289 Q290	E194-Q286 HydrophobicContact CB-CG 3.91Å; E194-Q286 HydrophobicContact CG-CG 4.32Å; Y278-Q286 HydrophobicContact CD1-CB 3.92Å; Y278-Q286 HydrophobicContact CD2-CB 3.72Å; Y278-Q286 HydrophobicContact CE1-CB 4.17Å; Y278-Q286 HydrophobicContact CE2-CB 3.95Å; Y278-Q286 HydrophobicContact CG-CB 3.7Å; K283-Q286 HydrophobicContact CB-CB 4.37Å; K283-Q286 PolarHBondContact O-N 3.47Å; K283-Q286 PolarHBondContact O-OE1 2.77Å; Y284-Q286 PolarHBondContact O-N 3.08Å; Q286-V288 VanDerWaalsContact C-N 3.32Å; Q286-V288 PolarHBondContact O-N 3.41Å; Q286-I289 PolarHBondContact O-N 2.84Å; Q286-Q290 WeakPolarHBondContact O-CG 3.32Å; Q286-Q290 PolarHBondContact O-N 3.34Å
287	A	97.4	Very high	96	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-61	-40.6	173.8	0	0	0	0	0	112	G275 F279 K283 Y284 M285 I289 Q290 Y291	G275-A287 WeakPolarHBondContact O-CB 3.42Å; F279-A287 HydrophobicContact CB-CB 4.14Å; K283-A287 PolarHBondContact O-N 2.85Å; Y284-A287 WeakPolarHBondContact O-CB 3.41Å; Y284-A287 PolarHBondContact O-N 2.93Å; M285-A287 VanDerWaalsContact C-N 3.35Å; A287-I289 PolarHBondContact O-N 2.97Å; A287-Q290 PolarHBondContact O-N 2.92Å; A287-Y291 HydrophobicContact CB-CD2 4.41Å; A287-Y291 HydrophobicContact CB-CE2 4.03Å; A287-Y291 WeakPolarHBondContact O-CD2 3.46Å; A287-Y291 PolarHBondContact O-N 3.04Å
288	V	97.3	Very high	95.9	Very high	20 Å²	20	37.4 Å²	37.4	12%	0.121	21%	0.211	C	C	.	.	H	α-helix	trans	-58.7	-46.2	175.5	168.4	0	0	0	0	111.3	Y284 M285 Q286 Q290 Y291 G292 L323 C326 Y327 L330	Y284-V288 WeakPolarHBondContact O-CG2 3.39Å; Y284-V288 PolarHBondContact O-N 2.92Å; M285-V288 WeakPolarHBondContact O-CB 3.39Å; M285-V288 PolarHBondContact O-N 3.07Å; Q286-V288 VanDerWaalsContact C-N 3.32Å; Q286-V288 PolarHBondContact O-N 3.41Å; V288-Q290 VanDerWaalsContact C-N 3.33Å; V288-Q290 PolarHBondContact O-N 3.35Å; V288-Y291 PolarHBondContact O-N 3.22Å; V288-G292 PolarHBondContact O-N 2.92Å; V288-L323 HydrophobicContact CB-CD2 4.16Å; V288-L323 HydrophobicContact CG1-CD2 3.89Å; V288-L323 HydrophobicContact CG2-CD2 4.19Å; V288-C326 HydrophobicContact CG2-CB 3.5Å; V288-Y327 HydrophobicContact CG1-CE1 4.08Å; V288-Y327 WeakPolarHBondContact CG1-OH 3.49Å; V288-Y327 HydrophobicContact CG2-CD1 4.4Å; V288-Y327 HydrophobicContact CG2-CE1 4.03Å; V288-L330 HydrophobicContact CG2-CD1 3.96Å
289	I	95	Very high	95.9	Very high	17 Å²	17	40.3 Å²	40.3	9%	0.087	23%	0.225	C	C	.	.	H	α-helix	trans	-56.9	-48.2	177.9	-66.9	167.7	0	0	0	110.6	E164 I200 M285 Q286 A287 G292 K293	E164-I289 HydrophobicContact CG-CG2 4.11Å; I200-I289 HydrophobicContact CD1-CD1 3.9Å; M285-I289 PolarHBondContact O-N 2.83Å; Q286-I289 PolarHBondContact O-N 2.84Å; A287-I289 PolarHBondContact O-N 2.97Å; I289-G292 PolarHBondContact O-N 3.2Å; I289-K293 PolarHBondContact O-N 2.94Å
290	Q	97.4	Very high	95.7	Very high	0 Å²	0	45 Å²	45	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-66.1	-44.1	-177.4	-61.2	-57.1	-37.2	0	0	113.2	E192 V271 K274 Y278 Q286 A287 V288 G292 K293	E192-Q290 PolarHBondContact OE1-NE2 3.08Å; V271-Q290 HydrophobicContact CB-CB 4.5Å; V271-Q290 WeakPolarHBondContact O-CB 3.34Å; K274-Q290 HydrophobicContact CG-CG 4.33Å; Y278-Q290 HydrophobicContact CD2-CG 3.74Å; Y278-Q290 HydrophobicContact CE2-CG 3.73Å; Q286-Q290 WeakPolarHBondContact O-CG 3.32Å; Q286-Q290 PolarHBondContact O-N 3.34Å; A287-Q290 PolarHBondContact O-N 2.92Å; V288-Q290 VanDerWaalsContact C-N 3.33Å; V288-Q290 PolarHBondContact O-N 3.35Å; Q290-G292 VanDerWaalsContact C-N 3.33Å; Q290-K293 PolarHBondContact O-N 3.33Å
291	Y	98.3	Very high	95.5	Very high	4 Å²	4	40.7 Å²	40.7	2%	0.016	23%	0.232	C	C	.	.	H	α-helix	trans	-70.8	-30.8	176.5	-61.5	-53.8	0	0	0	112.4	K272 G275 T276 A287 V288 K293 I294 V295 N322	K272-Y291 HydrophobicContact CG-CE1 4.33Å; G275-Y291 PolarHBondContact O-OH 3.36Å; T276-Y291 VanDerWaalsContact CA-OH 3.24Å; T276-Y291 WeakPolarHBondContact CA-OH 3.06Å; T276-Y291 PolarHBondContact N-OH 2.72Å; T276-Y291 VanDerWaalsContact N-OH 3.1Å; T276-Y291 PolarHBondContact OG1-OH 3.01Å; A287-Y291 HydrophobicContact CB-CD2 4.41Å; A287-Y291 HydrophobicContact CB-CE2 4.03Å; A287-Y291 WeakPolarHBondContact O-CD2 3.46Å; A287-Y291 PolarHBondContact O-N 3.04Å; V288-Y291 PolarHBondContact O-N 3.22Å; Y291-K293 VanDerWaalsContact C-N 3.3Å; Y291-K293 PolarHBondContact O-N 3.06Å; Y291-I294 HydrophobicContact CD1-CD1 4.27Å; Y291-I294 WeakPolarHBondContact O-CB 3.46Å; Y291-I294 PolarHBondContact O-N 2.73Å; Y291-V295 PolarHBondContact O-N 3.03Å; Y291-N322 HydrophobicContact CD1-CB 4.12Å; Y291-N322 HydrophobicContact CD2-CB 3.81Å; Y291-N322 HydrophobicContact CE1-CB 3.91Å; Y291-N322 VanDerWaalsContact CE1-ND2 3.34Å; Y291-N322 WeakPolarHBondContact CE1-ND2 3.48Å; Y291-N322 HydrophobicContact CE2-CB 3.6Å; Y291-N322 HydrophobicContact CG-CB 4.07Å; Y291-N322 PolarHBondContact OH-ND2 3.32Å
292	G	97.1	Very high	95.4	Very high	27 Å²	27	48 Å²	48	28%	0.278	24%	0.243	S	C	.	.	H	α-helix	trans	-60.8	-37	175.3	0	0	0	0	0	112.9	V288 I289 Q290 I294 V295 S296	V288-G292 PolarHBondContact O-N 2.92Å; I289-G292 PolarHBondContact O-N 3.2Å; Q290-G292 VanDerWaalsContact C-N 3.33Å; G292-I294 VanDerWaalsContact C-N 3.29Å; G292-I294 PolarHBondContact O-N 3.49Å; G292-V295 PolarHBondContact O-N 2.9Å; G292-S296 PolarHBondContact O-N 2.96Å
293	K	96.1	Very high	95.4	Very high	26 Å²	26	50.2 Å²	50.2	11%	0.113	27%	0.266	C	S	.	.	H	α-helix	trans	-55.6	-43.1	173.3	-68.8	176.1	-177.5	177.9	0	112.1	E192 V271 I289 Q290 Y291 V295 S296 W297	E192-K293 IonicContact OE1-NZ 3.18Å; E192-K293 PolarHBondContact OE1-NZ 2.88Å; V271-K293 HydrophobicContact CG1-CD 4.07Å; V271-K293 HydrophobicContact CG2-CB 4.41Å; I289-K293 PolarHBondContact O-N 2.94Å; Q290-K293 PolarHBondContact O-N 3.33Å; Y291-K293 VanDerWaalsContact C-N 3.3Å; Y291-K293 PolarHBondContact O-N 3.06Å; K293-V295 PolarHBondContact O-N 2.7Å; K293-S296 PolarHBondContact O-N 2.86Å; K293-W297 HydrophobicContact CB-CD2 4.43Å; K293-W297 HydrophobicContact CB-CE3 4.39Å; K293-W297 HydrophobicContact CB-CH2 3.86Å; K293-W297 HydrophobicContact CB-CZ2 3.89Å; K293-W297 HydrophobicContact CB-CZ3 4.11Å; K293-W297 HydrophobicContact CD-CH2 4.21Å; K293-W297 HydrophobicContact CD-CZ2 4.28Å; K293-W297 HydrophobicContact CG-CH2 4.5Å; K293-W297 HydrophobicContact CG-CZ2 4.32Å; K293-W297 PolarHBondContact O-N 3.43Å
294	I	97.8	Very high	95.5	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-60.8	-45.8	178.6	-53.7	174.7	0	0	0	110.8	A268 V271 K272 Y291 G292 W297 L298 F315 A319	A268-I294 HydrophobicContact CB-CG1 4.39Å; A268-I294 HydrophobicContact CB-CG2 4.24Å; V271-I294 HydrophobicContact CG2-CD1 4Å; V271-I294 HydrophobicContact CG2-CG1 3.45Å; V271-I294 VanDerWaalsContact CG2-CG1 3.45Å; K272-I294 HydrophobicContact CB-CD1 3.76Å; K272-I294 HydrophobicContact CG-CD1 4.48Å; Y291-I294 HydrophobicContact CD1-CD1 4.27Å; Y291-I294 WeakPolarHBondContact O-CB 3.46Å; Y291-I294 PolarHBondContact O-N 2.73Å; G292-I294 VanDerWaalsContact C-N 3.29Å; G292-I294 PolarHBondContact O-N 3.49Å; I294-W297 PolarHBondContact O-N 2.88Å; I294-L298 HydrophobicContact CG2-CD1 3.84Å; I294-L298 WeakPolarHBondContact O-CB 3.48Å; I294-L298 PolarHBondContact O-N 2.81Å; I294-L298 VanDerWaalsContact O-N 3.11Å; I294-F315 HydrophobicContact CG2-CB 3.96Å; I294-A319 HydrophobicContact CB-CB 3.95Å; I294-A319 HydrophobicContact CD1-CB 4.16Å; I294-A319 HydrophobicContact CG2-CB 3.95Å
295	V	97.4	Very high	95.5	Very high	17 Å²	17	48.2 Å²	48.2	10%	0.103	27%	0.267	C	S	.	.	H	α-helix	trans	-61.9	-48.4	178.2	177.5	0	0	0	0	110.2	Y291 G292 K293 W297 L298 E299 A319 F320 L323	Y291-V295 PolarHBondContact O-N 3.03Å; G292-V295 PolarHBondContact O-N 2.9Å; K293-V295 PolarHBondContact O-N 2.7Å; V295-W297 VanDerWaalsContact C-N 3.27Å; V295-W297 PolarHBondContact O-N 3.17Å; V295-L298 PolarHBondContact O-N 3.12Å; V295-E299 HydrophobicContact CG1-CB 4.19Å; V295-E299 VanDerWaalsContact CG1-OE2 3.29Å; V295-E299 WeakPolarHBondContact CG1-OE2 3.43Å; V295-E299 WeakPolarHBondContact O-CB 3.46Å; V295-E299 PolarHBondContact O-N 3.05Å; V295-A319 HydrophobicContact CG2-CB 4.06Å; V295-F320 HydrophobicContact CB-CE1 4.38Å; V295-F320 HydrophobicContact CG1-CE1 3.69Å; V295-F320 HydrophobicContact CG1-CZ 3.76Å; V295-F320 HydrophobicContact CG2-CD1 4.04Å; V295-F320 HydrophobicContact CG2-CE1 3.7Å; V295-F320 HydrophobicContact CG2-CZ 4.08Å; V295-L323 HydrophobicContact CG2-CD1 3.81Å
296	S	96.3	Very high	95.7	Very high	82 Å²	82	52.7 Å²	52.7	57%	0.573	29%	0.287	S	S	*	.	H	α-helix	trans	-58.8	-35.5	179.2	179.2	0	0	0	0	113.5	S256 G292 K293	S256-S296 PolarHBondContact OG-O 2.85Å; G292-S296 PolarHBondContact O-N 2.96Å; K293-S296 PolarHBondContact O-N 2.86Å
297	W	96.1	Very high	95.8	Very high	31 Å²	31	60.4 Å²	60.4	12%	0.117	32%	0.32	C	S	.	.	H	α-helix	trans	-81	-31.6	-179	-63	-27.2	0	0	0	114.4	S256 M259 K264 Q267 V271 K293 I294 V295 E301	S256-W297 WeakPolarHBondContact OG-CA 3.47Å; M259-W297 HydrophobicContact CE-CZ2 4.5Å; M259-W297 HydrophobicContact SD-CD2 4.47Å; M259-W297 HydrophobicContact SD-CZ2 4.4Å; K264-W297 HydrophobicContact CD-CB 4.38Å; K264-W297 WeakPolarHBondContact CD-O 3.25Å; K264-W297 HydrophobicContact CG-CB 4.19Å; Q267-W297 HydrophobicContact CB-CE3 4.27Å; Q267-W297 HydrophobicContact CB-CH2 3.8Å; Q267-W297 HydrophobicContact CB-CZ3 3.53Å; V271-W297 HydrophobicContact CG1-CH2 3.9Å; V271-W297 HydrophobicContact CG1-CZ3 4.13Å; V271-W297 HydrophobicContact CG2-CH2 4.39Å; V271-W297 HydrophobicContact CG2-CZ3 3.85Å; K293-W297 HydrophobicContact CB-CD2 4.43Å; K293-W297 HydrophobicContact CB-CE3 4.39Å; K293-W297 HydrophobicContact CB-CH2 3.86Å; K293-W297 HydrophobicContact CB-CZ2 3.89Å; K293-W297 HydrophobicContact CB-CZ3 4.11Å; K293-W297 HydrophobicContact CD-CH2 4.21Å; K293-W297 HydrophobicContact CD-CZ2 4.28Å; K293-W297 HydrophobicContact CG-CH2 4.5Å; K293-W297 HydrophobicContact CG-CZ2 4.32Å; K293-W297 PolarHBondContact O-N 3.43Å; I294-W297 PolarHBondContact O-N 2.88Å; V295-W297 VanDerWaalsContact C-N 3.27Å; V295-W297 PolarHBondContact O-N 3.17Å; W297-E301 VanDerWaalsContact O-CG 3.25Å; W297-E301 WeakPolarHBondContact O-CG 3.4Å
298	L	96.6	Very high	95.6	Very high	3 Å²	3	63.5 Å²	63.5	2%	0.016	34%	0.335	C	S	.	.	H	α-helix	trans	-116.2	-22.9	-164.2	-62	-179.3	0	0	0	114.6	K264 L265 A268 I294 V295 M300 E301 F315 L316	K264-L298 HydrophobicContact CB-CD2 3.93Å; K264-L298 HydrophobicContact CD-CD2 4.43Å; L265-L298 HydrophobicContact CD2-CD1 4.48Å; L265-L298 HydrophobicContact CD2-CD2 4.41Å; A268-L298 HydrophobicContact CB-CD1 4.2Å; I294-L298 HydrophobicContact CG2-CD1 3.84Å; I294-L298 WeakPolarHBondContact O-CB 3.48Å; I294-L298 PolarHBondContact O-N 2.81Å; I294-L298 VanDerWaalsContact O-N 3.11Å; V295-L298 PolarHBondContact O-N 3.12Å; L298-M300 VanDerWaalsContact C-N 3.29Å; L298-M300 PolarHBondContact O-N 3.44Å; L298-E301 PolarHBondContact O-N 3.49Å; L298-F315 HydrophobicContact CD1-CB 3.83Å; L298-L316 HydrophobicContact CB-CD1 4.05Å; L298-L316 HydrophobicContact CB-CD2 3.91Å; L298-L316 HydrophobicContact CB-CG 3.82Å
299	E	95.4	Very high	95.5	Very high	70 Å²	70	64.5 Å²	64.5	33%	0.327	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-35.4	-169.4	-176.9	176.7	-166.5	0	0	113.3	V295 L316 F320 K342	V295-E299 HydrophobicContact CG1-CB 4.19Å; V295-E299 VanDerWaalsContact CG1-OE2 3.29Å; V295-E299 WeakPolarHBondContact CG1-OE2 3.43Å; V295-E299 WeakPolarHBondContact O-CB 3.46Å; V295-E299 PolarHBondContact O-N 3.05Å; E299-L316 HydrophobicContact CB-CD2 4.14Å; E299-F320 HydrophobicContact CG-CZ 4.5Å; E299-K342 WeakPolarHBondContact OE1-CE 3.04Å; E299-K342 IonicContact OE1-NZ 2.77Å; E299-K342 PolarHBondContact OE1-NZ 2.73Å
300	M	94.4	Very high	95.5	Very high	156 Å²	156	71.4 Å²	71.4	77%	0.768	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.6	7.2	-173.7	-57.6	-61.5	-75.9	0	0	113.3	L298	L298-M300 VanDerWaalsContact C-N 3.29Å; L298-M300 PolarHBondContact O-N 3.44Å
301	E	92.9	Very high	95.5	Very high	67 Å²	67	73 Å²	73	31%	0.313	39%	0.386	S	S	.	.			trans	-76.4	136.6	-179.2	-60.5	-63.3	127.2	0	0	111.2	K264 W297 L298 L304	K264-E301 IonicContact NZ-OE1 3.1Å; K264-E301 PolarHBondContact NZ-OE1 2.91Å; K264-E301 IonicContact NZ-OE2 3.44Å; K264-E301 PolarHBondContact NZ-OE2 3.24Å; W297-E301 VanDerWaalsContact O-CG 3.25Å; W297-E301 WeakPolarHBondContact O-CG 3.4Å; L298-E301 PolarHBondContact O-N 3.49Å; E301-L304 HydrophobicContact CB-CD1 3.73Å
302	Y	92.3	Very high	95.4	Very high	212 Å²	212	73.2 Å²	73.2	83%	0.831	39%	0.387	S	S	*	.			trans	-140	162.5	177.8	64.6	-90.2	0	0	0	111.4	L304	Y302-L304 VanDerWaalsContact C-N 3.32Å; Y302-L304 PolarHBondContact O-N 2.67Å
303	G	92.6	Very high	95.3	Very high	81 Å²	81	76.9 Å²	76.9	84%	0.835	40%	0.397	S	S	*	.	S	Bend	trans	74.7	18.4	179.8	0	0	0	0	0	114.8
304	L	94.3	Very high	95.4	Very high	35 Å²	35	79 Å²	79	18%	0.183	42%	0.416	C	S	.	.			trans	-69.9	156.8	175.6	-63	81.9	0	0	0	111.6	T261 E301 Y302 E308	T261-L304 HydrophobicContact CG2-CD2 3.62Å; T261-L304 HydrophobicContact CG2-CG 4.25Å; E301-L304 HydrophobicContact CB-CD1 3.73Å; Y302-L304 VanDerWaalsContact C-N 3.32Å; Y302-L304 PolarHBondContact O-N 2.67Å; L304-E308 HydrophobicContact CB-CB 4Å; L304-E308 HydrophobicContact CD2-CB 4.01Å
305	S	95.8	Very high	95.4	Very high	58 Å²	58	80.9 Å²	80.9	41%	0.406	42%	0.424	S	S	.	.			trans	-63.8	157.8	167.7	69.3	0	0	0	0	110.9	K307 E308 S309	S305-K307 PolarHBondContact O-N 3.02Å; S305-K307 VanDerWaalsContact O-N 3.16Å; S305-E308 VanDerWaalsContact CB-OE2 3.28Å; S305-E308 WeakPolarHBondContact CB-OE2 3.03Å; S305-E308 PolarHBondContact N-OE2 2.89Å; S305-E308 PolarHBondContact O-N 3.48Å; S305-E308 WeakPolarHBondContact OG-CB 3.35Å; S305-E308 VanDerWaalsContact OG-CG 3.23Å; S305-E308 WeakPolarHBondContact OG-CG 3.31Å; S305-E308 PolarHBondContact OG-N 3.37Å; S305-E308 PolarHBondContact OG-OE2 3.09Å; S305-S309 WeakPolarHBondContact O-CB 3.37Å; S305-S309 PolarHBondContact O-N 3.49Å
306	E	95.2	Very high	95.4	Very high	180 Å²	180	80.6 Å²	80.6	84%	0.841	42%	0.422	S	S	*	.	H	α-helix	trans	-54.8	-39.3	-178.7	-170.1	-176.9	170.7	0	0	112.8	K310	E306-K310 WeakPolarHBondContact O-CB 3.42Å; E306-K310 PolarHBondContact O-N 3.14Å; E306-K310 VanDerWaalsContact O-N 3.09Å
307	K	95.3	Very high	95.5	Very high	183 Å²	183	78.3 Å²	78.3	80%	0.796	40%	0.403	S	S	*	.	H	α-helix	trans	-67.6	-42.7	178	-174.2	-178.5	176	-174.6	0	112	S305 A311	S305-K307 PolarHBondContact O-N 3.02Å; S305-K307 VanDerWaalsContact O-N 3.16Å; K307-A311 WeakPolarHBondContact O-CB 3.45Å; K307-A311 PolarHBondContact O-N 3.25Å; K307-A311 VanDerWaalsContact O-N 3.14Å
308	E	94.8	Very high	95.6	Very high	64 Å²	64	77.9 Å²	77.9	30%	0.299	41%	0.406	S	S	.	.	H	α-helix	trans	-71.4	-40.9	179.2	-69.3	164.2	147.8	0	0	111.4	T261 L265 L304 S305 K310 A311 S312	T261-E308 HydrophobicContact CG2-CB 4.22Å; T261-E308 HydrophobicContact CG2-CG 4.27Å; L265-E308 HydrophobicContact CD1-CB 4.25Å; L265-E308 HydrophobicContact CD1-CG 4.17Å; L304-E308 HydrophobicContact CB-CB 4Å; L304-E308 HydrophobicContact CD2-CB 4.01Å; S305-E308 VanDerWaalsContact CB-OE2 3.28Å; S305-E308 WeakPolarHBondContact CB-OE2 3.03Å; S305-E308 PolarHBondContact N-OE2 2.89Å; S305-E308 PolarHBondContact O-N 3.48Å; S305-E308 WeakPolarHBondContact OG-CB 3.35Å; S305-E308 VanDerWaalsContact OG-CG 3.23Å; S305-E308 WeakPolarHBondContact OG-CG 3.31Å; S305-E308 PolarHBondContact OG-N 3.37Å; S305-E308 PolarHBondContact OG-OE2 3.09Å; E308-K310 PolarHBondContact O-N 3.45Å; E308-A311 PolarHBondContact O-N 2.97Å; E308-S312 VanDerWaalsContact O-CB 3.31Å; E308-S312 WeakPolarHBondContact O-CB 3.33Å; E308-S312 PolarHBondContact O-N 2.87Å
309	S	95.1	Very high	95.7	Very high	42 Å²	42	77.8 Å²	77.8	29%	0.294	41%	0.405	S	S	.	.	H	α-helix	trans	-56.9	-49.9	175.1	-165.3	0	0	0	0	110.5	S305 A311 S312 E313	S305-S309 WeakPolarHBondContact O-CB 3.37Å; S305-S309 PolarHBondContact O-N 3.49Å; S309-A311 VanDerWaalsContact C-N 3.33Å; S309-A311 PolarHBondContact O-N 2.81Å; S309-S312 PolarHBondContact O-N 3.04Å; S309-E313 WeakPolarHBondContact O-CG 3.38Å; S309-E313 PolarHBondContact O-N 3.25Å
310	K	95.4	Very high	95.8	Very high	161 Å²	161	75 Å²	75	70%	0.7	39%	0.392	S	S	*	.	H	α-helix	trans	-61.9	-38.6	177.4	-173.3	174.5	-176.1	172	0	112.9	E306 E308 S314	E306-K310 WeakPolarHBondContact O-CB 3.42Å; E306-K310 PolarHBondContact O-N 3.14Å; E306-K310 VanDerWaalsContact O-N 3.09Å; E308-K310 PolarHBondContact O-N 3.45Å; K310-S314 WeakPolarHBondContact O-CB 3.29Å; K310-S314 PolarHBondContact O-N 2.88Å; K310-S314 VanDerWaalsContact O-N 3.16Å
311	A	95.9	Very high	96	Very high	35 Å²	35	68.3 Å²	68.3	29%	0.289	36%	0.359	S	S	.	.	H	α-helix	trans	-67.6	-44.6	176	0	0	0	0	0	111.4	L265 K307 E308 S309 S314 F315	L265-A311 HydrophobicContact CD1-CB 4.37Å; L265-A311 HydrophobicContact CD2-CB 4.16Å; K307-A311 WeakPolarHBondContact O-CB 3.45Å; K307-A311 PolarHBondContact O-N 3.25Å; K307-A311 VanDerWaalsContact O-N 3.14Å; E308-A311 PolarHBondContact O-N 2.97Å; S309-A311 VanDerWaalsContact C-N 3.33Å; S309-A311 PolarHBondContact O-N 2.81Å; A311-S314 WeakPolarHBondContact O-CB 3.09Å; A311-S314 PolarHBondContact O-N 2.71Å; A311-F315 WeakPolarHBondContact O-CD2 3.28Å; A311-F315 PolarHBondContact O-N 2.72Å
312	S	96.2	Very high	96.3	Very high	7 Å²	7	67 Å²	67	5%	0.049	36%	0.355	C	S	.	.	H	α-helix	trans	-59.8	-52.3	178.3	-176.4	0	0	0	0	111.6	E308 S309 S314 F315 L316	E308-S312 VanDerWaalsContact O-CB 3.31Å; E308-S312 WeakPolarHBondContact O-CB 3.33Å; E308-S312 PolarHBondContact O-N 2.87Å; S309-S312 PolarHBondContact O-N 3.04Å; S312-S314 VanDerWaalsContact C-N 3.26Å; S312-S314 PolarHBondContact O-N 2.67Å; S312-F315 PolarHBondContact O-N 2.68Å; S312-L316 PolarHBondContact O-N 2.83Å
313	E	95.9	Very high	96.6	Very high	104 Å²	104	57.4 Å²	57.4	49%	0.486	32%	0.318	S	S	.	.	H	α-helix	trans	-59.3	-37.8	177.1	-72.4	179.3	171.7	0	0	111.9	S309 L316 L317	S309-E313 WeakPolarHBondContact O-CG 3.38Å; S309-E313 PolarHBondContact O-N 3.25Å; E313-L316 PolarHBondContact O-N 2.91Å; E313-L317 VanDerWaalsContact O-CB 3.28Å; E313-L317 WeakPolarHBondContact O-CB 3.47Å; E313-L317 PolarHBondContact O-N 2.84Å
314	S	97.3	Very high	96.9	Very high	72 Å²	72	53.6 Å²	53.6	50%	0.503	28%	0.278	S	S	.	.	H	α-helix	trans	-64.1	-40.9	175.6	-173.1	0	0	0	0	112.4	K310 A311 S312 A318	K310-S314 WeakPolarHBondContact O-CB 3.29Å; K310-S314 PolarHBondContact O-N 2.88Å; K310-S314 VanDerWaalsContact O-N 3.16Å; A311-S314 WeakPolarHBondContact O-CB 3.09Å; A311-S314 PolarHBondContact O-N 2.71Å; S312-S314 VanDerWaalsContact C-N 3.26Å; S312-S314 PolarHBondContact O-N 2.67Å; S314-A318 WeakPolarHBondContact O-CB 3.43Å; S314-A318 PolarHBondContact O-N 3.06Å; S314-A318 VanDerWaalsContact O-N 3.17Å
315	F	98.1	Very high	97.1	Very high	38 Å²	38	53.6 Å²	53.6	17%	0.167	28%	0.277	C	S	.	.	H	α-helix	trans	-67.9	-45.1	174.8	-80.9	-63.2	0	0	0	112.1	L265 A268 A269 K272 I294 L298 A311 S312 A318 A319	L265-F315 HydrophobicContact CD2-CD2 3.94Å; L265-F315 HydrophobicContact CD2-CE2 4.23Å; A268-F315 HydrophobicContact CB-CD1 4.16Å; A268-F315 HydrophobicContact CB-CD2 4.23Å; A268-F315 HydrophobicContact CB-CE1 4.41Å; A268-F315 HydrophobicContact CB-CE2 4.47Å; A268-F315 HydrophobicContact CB-CG 4.09Å; A269-F315 HydrophobicContact CB-CE1 4.23Å; A269-F315 HydrophobicContact CB-CZ 3.95Å; K272-F315 HydrophobicContact CD-CD1 4.03Å; K272-F315 HydrophobicContact CD-CE1 3.99Å; I294-F315 HydrophobicContact CG2-CB 3.96Å; L298-F315 HydrophobicContact CD1-CB 3.83Å; A311-F315 WeakPolarHBondContact O-CD2 3.28Å; A311-F315 PolarHBondContact O-N 2.72Å; S312-F315 PolarHBondContact O-N 2.68Å; F315-A318 PolarHBondContact O-N 2.99Å; F315-A319 WeakPolarHBondContact O-CB 3.48Å; F315-A319 PolarHBondContact O-N 2.8Å
316	L	97.9	Very high	97.2	Very high	12 Å²	12	50.8 Å²	50.8	6%	0.063	26%	0.258	C	S	.	.	H	α-helix	trans	-60.1	-49.2	177.7	-80	169.6	0	0	0	111.9	L298 E299 S312 E313 A318 A319 F320 L346	L298-L316 HydrophobicContact CB-CD1 4.05Å; L298-L316 HydrophobicContact CB-CD2 3.91Å; L298-L316 HydrophobicContact CB-CG 3.82Å; E299-L316 HydrophobicContact CB-CD2 4.14Å; S312-L316 PolarHBondContact O-N 2.83Å; E313-L316 PolarHBondContact O-N 2.91Å; L316-A318 VanDerWaalsContact C-N 3.3Å; L316-A318 PolarHBondContact O-N 3.02Å; L316-A319 PolarHBondContact O-N 2.86Å; L316-A319 VanDerWaalsContact O-N 3.15Å; L316-F320 HydrophobicContact CB-CD2 4.45Å; L316-F320 HydrophobicContact CB-CE2 4.26Å; L316-F320 HydrophobicContact CD2-CE2 4.06Å; L316-F320 HydrophobicContact CD2-CZ 4.4Å; L316-F320 WeakPolarHBondContact O-CD2 3.29Å; L316-F320 PolarHBondContact O-N 3.15Å; L316-L346 HydrophobicContact CB-CD1 3.77Å
317	L	98.3	Very high	97.3	Very high	34 Å²	34	43.9 Å²	43.9	18%	0.178	23%	0.225	C	C	.	.	H	α-helix	trans	-57.9	-45.3	177.2	178.7	61.5	0	0	0	111	E313 L321 A343 L346 D347	E313-L317 VanDerWaalsContact O-CB 3.28Å; E313-L317 WeakPolarHBondContact O-CB 3.47Å; E313-L317 PolarHBondContact O-N 2.84Å; L317-L321 HydrophobicContact CD1-CD1 4.02Å; L317-L321 HydrophobicContact CD1-CG 4.25Å; L317-L321 HydrophobicContact CG-CD1 4.07Å; L317-L321 WeakPolarHBondContact O-CB 3.29Å; L317-L321 WeakPolarHBondContact O-CG 3.19Å; L317-L321 PolarHBondContact O-N 3.07Å; L317-L321 VanDerWaalsContact O-N 3.07Å; L317-A343 HydrophobicContact CD1-CB 3.95Å; L317-A343 WeakPolarHBondContact CD1-O 3.19Å; L317-L346 HydrophobicContact CB-CD1 4.2Å; L317-L346 HydrophobicContact CD1-CB 4.47Å; L317-D347 HydrophobicContact CD1-CB 4.12Å; L317-D347 HydrophobicContact CD2-CB 3.96Å
318	A	98.3	Very high	97.4	Very high	21 Å²	21	35.9 Å²	35.9	17%	0.174	19%	0.19	C	C	.	.	H	α-helix	trans	-63.8	-41.6	176.9	0	0	0	0	0	112.4	S314 F315 L316 N322	S314-A318 WeakPolarHBondContact O-CB 3.43Å; S314-A318 PolarHBondContact O-N 3.06Å; S314-A318 VanDerWaalsContact O-N 3.17Å; F315-A318 PolarHBondContact O-N 2.99Å; L316-A318 VanDerWaalsContact C-N 3.3Å; L316-A318 PolarHBondContact O-N 3.02Å; A318-N322 VanDerWaalsContact O-CB 3.28Å; A318-N322 WeakPolarHBondContact O-CB 3.06Å; A318-N322 PolarHBondContact O-N 3.48Å; A318-N322 PolarHBondContact O-ND2 3.01Å
319	A	98.4	Very high	97.5	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.008	20%	0.198	C	C	.	.	H	α-helix	trans	-63.4	-50.6	179	0	0	0	0	0	111.4	I294 V295 F315 L316 L321 N322 L323	I294-A319 HydrophobicContact CB-CB 3.95Å; I294-A319 HydrophobicContact CD1-CB 4.16Å; I294-A319 HydrophobicContact CG2-CB 3.95Å; V295-A319 HydrophobicContact CG2-CB 4.06Å; F315-A319 WeakPolarHBondContact O-CB 3.48Å; F315-A319 PolarHBondContact O-N 2.8Å; L316-A319 PolarHBondContact O-N 2.86Å; L316-A319 VanDerWaalsContact O-N 3.15Å; A319-L321 PolarHBondContact O-N 3.05Å; A319-N322 PolarHBondContact O-N 3.05Å; A319-L323 WeakPolarHBondContact O-CB 3.5Å; A319-L323 WeakPolarHBondContact O-CG 3.33Å; A319-L323 PolarHBondContact O-N 3.37Å
320	F	98.6	Very high	97.5	Very high	13 Å²	13	38.1 Å²	38.1	6%	0.057	20%	0.196	C	C	.	.	H	α-helix	trans	-60.5	-44.4	178	-72.9	-53.2	0	0	0	112.5	V295 E299 L316 N322 L323 A324 K342 A343 L346	V295-F320 HydrophobicContact CB-CE1 4.38Å; V295-F320 HydrophobicContact CG1-CE1 3.69Å; V295-F320 HydrophobicContact CG1-CZ 3.76Å; V295-F320 HydrophobicContact CG2-CD1 4.04Å; V295-F320 HydrophobicContact CG2-CE1 3.7Å; V295-F320 HydrophobicContact CG2-CZ 4.08Å; E299-F320 HydrophobicContact CG-CZ 4.5Å; L316-F320 HydrophobicContact CB-CD2 4.45Å; L316-F320 HydrophobicContact CB-CE2 4.26Å; L316-F320 HydrophobicContact CD2-CE2 4.06Å; L316-F320 HydrophobicContact CD2-CZ 4.4Å; L316-F320 WeakPolarHBondContact O-CD2 3.29Å; L316-F320 PolarHBondContact O-N 3.15Å; F320-N322 VanDerWaalsContact C-N 3.35Å; F320-N322 PolarHBondContact O-N 2.95Å; F320-L323 PolarHBondContact O-N 3.03Å; F320-A324 WeakPolarHBondContact O-CB 3.49Å; F320-A324 PolarHBondContact O-N 3.12Å; F320-K342 HydrophobicContact CD1-CB 3.71Å; F320-K342 HydrophobicContact CD1-CG 4.39Å; F320-K342 HydrophobicContact CD2-CB 3.94Å; F320-K342 HydrophobicContact CE1-CB 3.68Å; F320-K342 HydrophobicContact CE1-CG 3.99Å; F320-K342 HydrophobicContact CE2-CB 3.91Å; F320-K342 HydrophobicContact CG-CB 3.86Å; F320-K342 HydrophobicContact CZ-CB 3.79Å; F320-K342 HydrophobicContact CZ-CD 4.32Å; F320-K342 HydrophobicContact CZ-CG 4.18Å; F320-A343 HydrophobicContact CB-CB 3.9Å; F320-L346 HydrophobicContact CD2-CD1 3.99Å; F320-L346 HydrophobicContact CE2-CD1 4.13Å
321	L	98.5	Very high	97.5	Very high	14 Å²	14	39.6 Å²	39.6	7%	0.073	20%	0.197	C	C	.	.	H	α-helix	trans	-60.8	-45.4	175.7	-72.7	175.2	0	0	0	111.2	L317 A319 A324 M325 A343 K352 R356	L317-L321 HydrophobicContact CD1-CD1 4.02Å; L317-L321 HydrophobicContact CD1-CG 4.25Å; L317-L321 HydrophobicContact CG-CD1 4.07Å; L317-L321 WeakPolarHBondContact O-CB 3.29Å; L317-L321 WeakPolarHBondContact O-CG 3.19Å; L317-L321 PolarHBondContact O-N 3.07Å; L317-L321 VanDerWaalsContact O-N 3.07Å; A319-L321 PolarHBondContact O-N 3.05Å; L321-A324 PolarHBondContact O-N 3.31Å; L321-M325 PolarHBondContact O-N 2.77Å; L321-M325 VanDerWaalsContact O-N 3.14Å; L321-A343 HydrophobicContact CD2-CB 3.91Å; L321-A343 HydrophobicContact CG-CB 4.1Å; L321-K352 HydrophobicContact CD2-CB 4.1Å; L321-R356 PolarHBondContact O-NH1 3.37Å
322	N	98.4	Very high	97.5	Very high	41 Å²	41	41.2 Å²	41.2	22%	0.219	20%	0.198	C	C	.	.	H	α-helix	trans	-67.7	-38.9	179.6	-72.6	-14.7	0	0	0	112.3	Y291 A318 A319 F320 M325 C326	Y291-N322 HydrophobicContact CD1-CB 4.12Å; Y291-N322 HydrophobicContact CD2-CB 3.81Å; Y291-N322 HydrophobicContact CE1-CB 3.91Å; Y291-N322 VanDerWaalsContact CE1-ND2 3.34Å; Y291-N322 WeakPolarHBondContact CE1-ND2 3.48Å; Y291-N322 HydrophobicContact CE2-CB 3.6Å; Y291-N322 HydrophobicContact CG-CB 4.07Å; Y291-N322 PolarHBondContact OH-ND2 3.32Å; A318-N322 VanDerWaalsContact O-CB 3.28Å; A318-N322 WeakPolarHBondContact O-CB 3.06Å; A318-N322 PolarHBondContact O-N 3.48Å; A318-N322 PolarHBondContact O-ND2 3.01Å; A319-N322 PolarHBondContact O-N 3.05Å; F320-N322 VanDerWaalsContact C-N 3.35Å; F320-N322 PolarHBondContact O-N 2.95Å; N322-M325 WeakPolarHBondContact O-CB 3.39Å; N322-M325 PolarHBondContact O-N 3.48Å; N322-C326 PolarHBondContact O-N 2.83Å; N322-C326 PolarHBondContact O-SG 2.94Å
323	L	98.5	Very high	97.6	Very high	10 Å²	10	43.5 Å²	43.5	5%	0.052	21%	0.206	C	C	.	.	H	α-helix	trans	-59.6	-47.7	172.5	-77.8	168.4	0	0	0	111.3	V288 V295 A319 F320 M325 C326 Y327 C339	V288-L323 HydrophobicContact CB-CD2 4.16Å; V288-L323 HydrophobicContact CG1-CD2 3.89Å; V288-L323 HydrophobicContact CG2-CD2 4.19Å; V295-L323 HydrophobicContact CG2-CD1 3.81Å; A319-L323 WeakPolarHBondContact O-CB 3.5Å; A319-L323 WeakPolarHBondContact O-CG 3.33Å; A319-L323 PolarHBondContact O-N 3.37Å; F320-L323 PolarHBondContact O-N 3.03Å; L323-M325 PolarHBondContact O-N 2.93Å; L323-C326 WeakPolarHBondContact O-CA 3.16Å; L323-C326 WeakPolarHBondContact O-CB 3.35Å; L323-C326 PolarHBondContact O-N 2.87Å; L323-Y327 HydrophobicContact CB-CD2 4.39Å; L323-Y327 HydrophobicContact CB-CE2 4.2Å; L323-Y327 HydrophobicContact CD2-CE2 4.29Å; L323-Y327 VanDerWaalsContact O-CD2 3.22Å; L323-Y327 WeakPolarHBondContact O-CD2 3.34Å; L323-Y327 PolarHBondContact O-N 3.47Å; L323-C339 HydrophobicContact CB-CB 4.36Å
324	A	98.4	Very high	97.7	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-55.9	-40.7	175.7	0	0	0	0	0	112	F320 L321 Y327 L328 C339 C340	F320-A324 WeakPolarHBondContact O-CB 3.49Å; F320-A324 PolarHBondContact O-N 3.12Å; L321-A324 PolarHBondContact O-N 3.31Å; A324-Y327 PolarHBondContact O-N 3.32Å; A324-L328 WeakPolarHBondContact O-CG 3.47Å; A324-L328 PolarHBondContact O-N 3Å; A324-C339 HydrophobicContact CB-CB 3.86Å; A324-C340 VanDerWaalsContact CB-SG 3.51Å
325	M	98.3	Very high	97.7	Very high	35 Å²	35	43.1 Å²	43.1	17%	0.172	20%	0.202	C	C	.	.	H	α-helix	trans	-66.1	-39.8	175.3	-166.9	68.3	-129.9	0	0	112.6	F279 L321 N322 L323 K329	F279-M325 HydrophobicContact CE2-CB 4.24Å; F279-M325 HydrophobicContact CE2-CG 3.68Å; F279-M325 HydrophobicContact CZ-CB 4.44Å; F279-M325 HydrophobicContact CZ-CG 3.45Å; F279-M325 VanDerWaalsContact CZ-CG 3.45Å; L321-M325 PolarHBondContact O-N 2.77Å; L321-M325 VanDerWaalsContact O-N 3.14Å; N322-M325 WeakPolarHBondContact O-CB 3.39Å; N322-M325 PolarHBondContact O-N 3.48Å; L323-M325 PolarHBondContact O-N 2.93Å; M325-K329 HydrophobicContact CE-CD 4.31Å; M325-K329 HydrophobicContact CE-CG 4.17Å; M325-K329 WeakPolarHBondContact O-CG 3.43Å; M325-K329 PolarHBondContact O-N 3.03Å
326	C	98	Very high	97.7	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-64.1	-46.1	175.9	-61.9	0	0	0	0	111	V288 N322 L323 L328 K329 L330	V288-C326 HydrophobicContact CG2-CB 3.5Å; N322-C326 PolarHBondContact O-N 2.83Å; N322-C326 PolarHBondContact O-SG 2.94Å; L323-C326 WeakPolarHBondContact O-CA 3.16Å; L323-C326 WeakPolarHBondContact O-CB 3.35Å; L323-C326 PolarHBondContact O-N 2.87Å; C326-L328 PolarHBondContact O-N 3.14Å; C326-K329 WeakPolarHBondContact O-CA 3.22Å; C326-K329 WeakPolarHBondContact O-CB 3.47Å; C326-K329 PolarHBondContact O-N 3.48Å; C326-L330 WeakPolarHBondContact O-CG 3.26Å; C326-L330 PolarHBondContact O-N 3.29Å
327	Y	98.2	Very high	97.7	Very high	35 Å²	35	41.7 Å²	41.7	14%	0.137	20%	0.196	C	C	.	.	H	α-helix	trans	-65.4	-35.6	179.1	-70.6	-50.5	0	0	0	113.1	V288 L323 A324 K329 L330 R331 E332 K335	V288-Y327 HydrophobicContact CG1-CE1 4.08Å; V288-Y327 WeakPolarHBondContact CG1-OH 3.49Å; V288-Y327 HydrophobicContact CG2-CD1 4.4Å; V288-Y327 HydrophobicContact CG2-CE1 4.03Å; L323-Y327 HydrophobicContact CB-CD2 4.39Å; L323-Y327 HydrophobicContact CB-CE2 4.2Å; L323-Y327 HydrophobicContact CD2-CE2 4.29Å; L323-Y327 VanDerWaalsContact O-CD2 3.22Å; L323-Y327 WeakPolarHBondContact O-CD2 3.34Å; L323-Y327 PolarHBondContact O-N 3.47Å; A324-Y327 PolarHBondContact O-N 3.32Å; Y327-K329 VanDerWaalsContact C-N 3.31Å; Y327-K329 PolarHBondContact O-N 3.18Å; Y327-L330 HydrophobicContact CD1-CD1 4.34Å; Y327-L330 CarbonylContact O-C 3.45Å; Y327-L330 PolarHBondContact O-N 3.46Å; Y327-R331 PolarHBondContact O-N 2.92Å; Y327-E332 HydrophobicContact CD1-CB 3.99Å; Y327-E332 VanDerWaalsContact CD1-OE2 3.31Å; Y327-E332 WeakPolarHBondContact CD1-OE2 3.42Å; Y327-E332 VanDerWaalsContact CE1-OE2 3.31Å; Y327-E332 WeakPolarHBondContact CE1-OE2 3.47Å; Y327-E332 PolarHBondContact O-N 3.02Å; Y327-K335 HydrophobicContact CD1-CB 3.97Å; Y327-K335 HydrophobicContact CD1-CD 4.04Å; Y327-K335 HydrophobicContact CD2-CB 3.71Å; Y327-K335 HydrophobicContact CE1-CB 4.12Å; Y327-K335 HydrophobicContact CE1-CD 3.56Å; Y327-K335 HydrophobicContact CE2-CB 3.86Å; Y327-K335 HydrophobicContact CE2-CD 4.38Å; Y327-K335 HydrophobicContact CG-CB 3.77Å
328	L	97.6	Very high	97.7	Very high	15 Å²	15	45.4 Å²	45.4	8%	0.079	21%	0.213	C	C	.	.	H	α-helix	trans	-58.3	-42.2	168.9	-79.8	169.5	0	0	0	112	A324 C326 R331 Y333 A336 R356 E359 A360 L363	A324-L328 WeakPolarHBondContact O-CG 3.47Å; A324-L328 PolarHBondContact O-N 3Å; C326-L328 PolarHBondContact O-N 3.14Å; L328-R331 PolarHBondContact O-N 3.27Å; L328-Y333 HydrophobicContact CD2-CD1 4.43Å; L328-A336 HydrophobicContact CD2-CB 4.43Å; L328-A336 HydrophobicContact CG-CB 4.09Å; L328-R356 HydrophobicContact CD1-CB 3.98Å; L328-R356 HydrophobicContact CD1-CG 3.98Å; L328-E359 HydrophobicContact CD2-CB 4.37Å; L328-E359 HydrophobicContact CD2-CG 4.11Å; L328-A360 HydrophobicContact CD2-CB 3.85Å; L328-L363 HydrophobicContact CD2-CD1 4.27Å
329	K	96.6	Very high	97.7	Very high	106 Å²	106	45 Å²	45	46%	0.461	21%	0.209	S	C	.	.	H	α-helix	trans	-69.9	-34.7	176.9	-67.9	-62.8	-173.3	-172.2	0	113	F279 Y284 M325 C326 Y327 R331	F279-K329 HydrophobicContact CE2-CG 4.38Å; Y284-K329 HydrophobicContact CD1-CB 3.9Å; Y284-K329 HydrophobicContact CD1-CG 4.12Å; Y284-K329 HydrophobicContact CD2-CB 3.77Å; Y284-K329 HydrophobicContact CE1-CB 3.9Å; Y284-K329 HydrophobicContact CE1-CD 4.44Å; Y284-K329 HydrophobicContact CE1-CG 3.74Å; Y284-K329 HydrophobicContact CE2-CB 3.78Å; Y284-K329 HydrophobicContact CE2-CG 4.28Å; Y284-K329 HydrophobicContact CG-CB 3.84Å; M325-K329 HydrophobicContact CE-CD 4.31Å; M325-K329 HydrophobicContact CE-CG 4.17Å; M325-K329 WeakPolarHBondContact O-CG 3.43Å; M325-K329 PolarHBondContact O-N 3.03Å; C326-K329 WeakPolarHBondContact O-CA 3.22Å; C326-K329 WeakPolarHBondContact O-CB 3.47Å; C326-K329 PolarHBondContact O-N 3.48Å; Y327-K329 VanDerWaalsContact C-N 3.31Å; Y327-K329 PolarHBondContact O-N 3.18Å; K329-R331 PolarHBondContact O-N 2.77Å
330	L	93.9	Very high	97.7	Very high	47 Å²	47	45 Å²	45	25%	0.246	21%	0.208	C	C	.	.	H	α-helix	trans	-79.1	-4.6	175.6	-68.1	168.8	0	0	0	113.5	M285 V288 C326 Y327 E332	M285-L330 HydrophobicContact CG-CD1 4.49Å; M285-L330 HydrophobicContact CG-CD2 3.92Å; M285-L330 HydrophobicContact SD-CD1 3.66Å; M285-L330 HydrophobicContact SD-CD2 3.8Å; M285-L330 HydrophobicContact SD-CG 4.38Å; V288-L330 HydrophobicContact CG2-CD1 3.96Å; C326-L330 WeakPolarHBondContact O-CG 3.26Å; C326-L330 PolarHBondContact O-N 3.29Å; Y327-L330 HydrophobicContact CD1-CD1 4.34Å; Y327-L330 CarbonylContact O-C 3.45Å; Y327-L330 PolarHBondContact O-N 3.46Å; L330-E332 HydrophobicContact CB-CG 4.25Å; L330-E332 PolarHBondContact O-N 3.41Å
331	R	95.8	Very high	97.7	Very high	192 Å²	192	47.9 Å²	47.9	73%	0.725	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.3	23.7	-175.4	-52.7	-176.3	-179.9	-167.9	2.1	114.5	Y327 L328 K329 Y333	Y327-R331 PolarHBondContact O-N 2.92Å; L328-R331 PolarHBondContact O-N 3.27Å; K329-R331 PolarHBondContact O-N 2.77Å; R331-Y333 HydrophobicContact CB-CE1 3.99Å; R331-Y333 HydrophobicContact CB-CE2 4.42Å; R331-Y333 HydrophobicContact CG-CE1 4.4Å; R331-Y333 PolarHBondContact O-N 2.78Å
332	E	96.1	Very high	97.7	Very high	68 Å²	68	52.2 Å²	52.2	32%	0.318	24%	0.243	S	C	.	.			trans	-92.7	67.9	174.4	-62.8	-169.2	161.6	0	0	109.8	Y327 L330 T334 K335 A336	Y327-E332 HydrophobicContact CD1-CB 3.99Å; Y327-E332 VanDerWaalsContact CD1-OE2 3.31Å; Y327-E332 WeakPolarHBondContact CD1-OE2 3.42Å; Y327-E332 VanDerWaalsContact CE1-OE2 3.31Å; Y327-E332 WeakPolarHBondContact CE1-OE2 3.47Å; Y327-E332 PolarHBondContact O-N 3.02Å; L330-E332 HydrophobicContact CB-CG 4.25Å; L330-E332 PolarHBondContact O-N 3.41Å; E332-T334 VanDerWaalsContact C-N 3.32Å; E332-T334 PolarHBondContact O-N 3.44Å; E332-K335 PolarHBondContact O-N 2.89Å; E332-K335 IonicContact OE1-NZ 3.28Å; E332-K335 VanDerWaalsContact OE2-CD 3.27Å; E332-K335 WeakPolarHBondContact OE2-CD 3.26Å; E332-K335 WeakPolarHBondContact OE2-CE 3.48Å; E332-K335 IonicContact OE2-NZ 2.72Å; E332-K335 PolarHBondContact OE2-NZ 2.83Å; E332-A336 PolarHBondContact O-N 3.22Å; E332-A336 VanDerWaalsContact O-N 3.15Å
333	Y	97.9	Very high	97.7	Very high	55 Å²	55	50.2 Å²	50.2	22%	0.216	23%	0.232	C	C	.	.	H	α-helix	trans	-62.2	-34.3	-167.1	-48.8	-51.9	0	0	0	114.1	L328 R331 A336 V337 L363 M364	L328-Y333 HydrophobicContact CD2-CD1 4.43Å; R331-Y333 HydrophobicContact CB-CE1 3.99Å; R331-Y333 HydrophobicContact CB-CE2 4.42Å; R331-Y333 HydrophobicContact CG-CE1 4.4Å; R331-Y333 PolarHBondContact O-N 2.78Å; Y333-A336 WeakPolarHBondContact O-CB 3.31Å; Y333-A336 PolarHBondContact O-N 3.4Å; Y333-V337 PolarHBondContact O-N 3.27Å; Y333-L363 HydrophobicContact CD1-CB 4Å; Y333-L363 HydrophobicContact CD1-CD1 3.88Å; Y333-L363 HydrophobicContact CD2-CB 4.09Å; Y333-L363 HydrophobicContact CE1-CB 3.91Å; Y333-L363 HydrophobicContact CE1-CD1 3.44Å; Y333-L363 VanDerWaalsContact CE1-CD1 3.44Å; Y333-L363 HydrophobicContact CE1-CG 4.22Å; Y333-L363 HydrophobicContact CE2-CB 3.99Å; Y333-L363 HydrophobicContact CG-CB 4.09Å; Y333-M364 VanDerWaalsContact CB-CG 3.48Å; Y333-M364 HydrophobicContact CD2-CG 4.04Å; Y333-M364 HydrophobicContact CG-CG 4.15Å
334	T	97.9	Very high	97.6	Very high	86 Å²	86	50.6 Å²	50.6	53%	0.528	23%	0.234	S	C	.	.	H	α-helix	trans	-61.2	-48.7	177	-50.1	0	0	0	0	111.6	E332 A336 V337 E338	E332-T334 VanDerWaalsContact C-N 3.32Å; E332-T334 PolarHBondContact O-N 3.44Å; T334-A336 VanDerWaalsContact C-N 3.26Å; T334-A336 PolarHBondContact O-N 2.86Å; T334-V337 PolarHBondContact O-N 2.86Å; T334-V337 VanDerWaalsContact O-N 3.13Å; T334-E338 WeakPolarHBondContact O-CG 3.32Å; T334-E338 PolarHBondContact O-N 3.05Å
335	K	97.8	Very high	97.5	Very high	83 Å²	83	53.8 Å²	53.8	36%	0.361	27%	0.267	S	S	.	.	H	α-helix	trans	-64.7	-31.8	176.4	-62.4	-172.7	-165.2	160.7	0	112.2	Y327 E332 E338 C339	Y327-K335 HydrophobicContact CD1-CB 3.97Å; Y327-K335 HydrophobicContact CD1-CD 4.04Å; Y327-K335 HydrophobicContact CD2-CB 3.71Å; Y327-K335 HydrophobicContact CE1-CB 4.12Å; Y327-K335 HydrophobicContact CE1-CD 3.56Å; Y327-K335 HydrophobicContact CE2-CB 3.86Å; Y327-K335 HydrophobicContact CE2-CD 4.38Å; Y327-K335 HydrophobicContact CG-CB 3.77Å; E332-K335 PolarHBondContact O-N 2.89Å; E332-K335 IonicContact OE1-NZ 3.28Å; E332-K335 VanDerWaalsContact OE2-CD 3.27Å; E332-K335 WeakPolarHBondContact OE2-CD 3.26Å; E332-K335 WeakPolarHBondContact OE2-CE 3.48Å; E332-K335 IonicContact OE2-NZ 2.72Å; E332-K335 PolarHBondContact OE2-NZ 2.83Å; K335-E338 PolarHBondContact O-N 3.45Å; K335-C339 WeakPolarHBondContact O-CB 3.13Å; K335-C339 PolarHBondContact O-N 3.24Å; K335-C339 PolarHBondContact O-SG 2.88Å
336	A	98.3	Very high	97.4	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-63.4	-42	173.9	0	0	0	0	0	111.8	L328 E332 Y333 T334 C340 A360	L328-A336 HydrophobicContact CD2-CB 4.43Å; L328-A336 HydrophobicContact CG-CB 4.09Å; E332-A336 PolarHBondContact O-N 3.22Å; E332-A336 VanDerWaalsContact O-N 3.15Å; Y333-A336 WeakPolarHBondContact O-CB 3.31Å; Y333-A336 PolarHBondContact O-N 3.4Å; T334-A336 VanDerWaalsContact C-N 3.26Å; T334-A336 PolarHBondContact O-N 2.86Å; A336-C340 PolarHBondContact O-N 2.7Å; A336-C340 PolarHBondContact O-SG 3.03Å; A336-A360 HydrophobicContact CB-CB 3.99Å
337	V	98.4	Very high	97.3	Very high	19 Å²	19	58.4 Å²	58.4	12%	0.115	29%	0.292	C	S	.	.	H	α-helix	trans	-63.7	-48.6	174.5	172.1	0	0	0	0	111.1	Y333 T334 C339 C340 D341 R357 A360 Q361 M364	Y333-V337 PolarHBondContact O-N 3.27Å; T334-V337 PolarHBondContact O-N 2.86Å; T334-V337 VanDerWaalsContact O-N 3.13Å; V337-C339 VanDerWaalsContact C-N 3.29Å; V337-C339 PolarHBondContact O-N 3.42Å; V337-C340 CarbonylContact O-C 3.58Å; V337-C340 WeakPolarHBondContact O-CA 3.31Å; V337-C340 WeakPolarHBondContact O-CB 3.49Å; V337-C340 PolarHBondContact O-N 3.49Å; V337-D341 PolarHBondContact O-N 2.98Å; V337-R357 HydrophobicContact CB-CG 4.49Å; V337-R357 HydrophobicContact CG1-CG 4.07Å; V337-R357 HydrophobicContact CG2-CG 4.24Å; V337-A360 HydrophobicContact CG2-CB 3.67Å; V337-Q361 HydrophobicContact CG2-CG 3.93Å; V337-M364 HydrophobicContact CG2-CE 3.52Å
338	E	98.2	Very high	97.3	Very high	112 Å²	112	61.5 Å²	61.5	52%	0.523	32%	0.319	S	S	.	.	H	α-helix	trans	-55.2	-44.1	177.9	-69.2	168.4	-174.5	0	0	112.1	T334 K335 D341 K342	T334-E338 WeakPolarHBondContact O-CG 3.32Å; T334-E338 PolarHBondContact O-N 3.05Å; K335-E338 PolarHBondContact O-N 3.45Å; E338-D341 PolarHBondContact O-N 2.88Å; E338-K342 WeakPolarHBondContact O-CG 3.46Å; E338-K342 PolarHBondContact O-N 2.95Å
339	C	98.3	Very high	97.2	Very high	14 Å²	14	63 Å²	63	10%	0.095	33%	0.333	C	S	.	.	H	α-helix	trans	-65.4	-37.8	175.5	-69.1	0	0	0	0	112.3	L323 A324 K335 V337 A343	L323-C339 HydrophobicContact CB-CB 4.36Å; A324-C339 HydrophobicContact CB-CB 3.86Å; K335-C339 WeakPolarHBondContact O-CB 3.13Å; K335-C339 PolarHBondContact O-N 3.24Å; K335-C339 PolarHBondContact O-SG 2.88Å; V337-C339 VanDerWaalsContact C-N 3.29Å; V337-C339 PolarHBondContact O-N 3.42Å; C339-A343 WeakPolarHBondContact O-CB 3.41Å; C339-A343 PolarHBondContact O-N 2.91Å
340	C	98.4	Very high	97.3	Very high	0 Å²	0	59 Å²	59	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-67.4	-38.9	175.6	-66.2	0	0	0	0	111.8	A324 A336 V337 K342 A343 L344 R357	A324-C340 VanDerWaalsContact CB-SG 3.51Å; A336-C340 PolarHBondContact O-N 2.7Å; A336-C340 PolarHBondContact O-SG 3.03Å; V337-C340 CarbonylContact O-C 3.58Å; V337-C340 WeakPolarHBondContact O-CA 3.31Å; V337-C340 WeakPolarHBondContact O-CB 3.49Å; V337-C340 PolarHBondContact O-N 3.49Å; C340-K342 VanDerWaalsContact C-N 3.35Å; C340-A343 PolarHBondContact O-N 3.18Å; C340-L344 WeakPolarHBondContact O-CB 3.15Å; C340-L344 VanDerWaalsContact O-CG 3.24Å; C340-L344 WeakPolarHBondContact O-CG 3.16Å; C340-L344 PolarHBondContact O-N 3.39Å; C340-R357 HydrophobicContact CB-CB 3.62Å; C340-R357 HydrophobicContact CB-CG 3.99Å; C340-R357 PolarHBondContact SG-N 3.07Å
341	D	98.3	Very high	97.4	Very high	73 Å²	73	59.9 Å²	59.9	39%	0.39	32%	0.32	S	S	.	.	H	α-helix	trans	-62.7	-43	176.5	-70	-26	0	0	0	111.2	V337 E338 L344 G345 R357	V337-D341 PolarHBondContact O-N 2.98Å; E338-D341 PolarHBondContact O-N 2.88Å; D341-L344 PolarHBondContact O-N 3.07Å; D341-G345 PolarHBondContact O-N 2.71Å; D341-R357 WeakPolarHBondContact OD1-CD 3.47Å; D341-R357 IonicContact OD1-CZ 3.39Å; D341-R357 IonicContact OD1-NE 2.9Å; D341-R357 IonicContact OD1-NH1 2.8Å; D341-R357 PolarHBondContact OD1-NH1 3.11Å
342	K	98.1	Very high	97.5	Very high	105 Å²	105	57 Å²	57	46%	0.457	31%	0.313	S	S	.	.	H	α-helix	trans	-61.2	-43.8	172.7	-69.3	-74.7	-175.6	161.4	0	112.2	E299 F320 E338 C340 G345 L346	E299-K342 WeakPolarHBondContact OE1-CE 3.04Å; E299-K342 IonicContact OE1-NZ 2.77Å; E299-K342 PolarHBondContact OE1-NZ 2.73Å; F320-K342 HydrophobicContact CD1-CB 3.71Å; F320-K342 HydrophobicContact CD1-CG 4.39Å; F320-K342 HydrophobicContact CD2-CB 3.94Å; F320-K342 HydrophobicContact CE1-CB 3.68Å; F320-K342 HydrophobicContact CE1-CG 3.99Å; F320-K342 HydrophobicContact CE2-CB 3.91Å; F320-K342 HydrophobicContact CG-CB 3.86Å; F320-K342 HydrophobicContact CZ-CB 3.79Å; F320-K342 HydrophobicContact CZ-CD 4.32Å; F320-K342 HydrophobicContact CZ-CG 4.18Å; E338-K342 WeakPolarHBondContact O-CG 3.46Å; E338-K342 PolarHBondContact O-N 2.95Å; C340-K342 VanDerWaalsContact C-N 3.35Å; K342-G345 PolarHBondContact O-N 3.1Å; K342-L346 PolarHBondContact O-N 2.78Å
343	A	98.1	Very high	97.6	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-62.3	-42.2	175.7	0	0	0	0	0	112.5	L317 F320 L321 C339 C340 G345 L346 D347	L317-A343 HydrophobicContact CD1-CB 3.95Å; L317-A343 WeakPolarHBondContact CD1-O 3.19Å; F320-A343 HydrophobicContact CB-CB 3.9Å; L321-A343 HydrophobicContact CD2-CB 3.91Å; L321-A343 HydrophobicContact CG-CB 4.1Å; C339-A343 WeakPolarHBondContact O-CB 3.41Å; C339-A343 PolarHBondContact O-N 2.91Å; C340-A343 PolarHBondContact O-N 3.18Å; A343-G345 VanDerWaalsContact C-N 3.3Å; A343-L346 PolarHBondContact O-N 3.45Å; A343-L346 VanDerWaalsContact O-N 3.16Å; A343-D347 PolarHBondContact O-N 3.14Å
344	L	97.4	Very high	97.6	Very high	17 Å²	17	51.5 Å²	51.5	9%	0.089	29%	0.289	C	S	.	.	H	α-helix	trans	-74.4	-20.6	178.8	-66.4	169.4	0	0	0	113.1	C340 D341 L346 D347 S348 N350 L354 R357	C340-L344 WeakPolarHBondContact O-CB 3.15Å; C340-L344 VanDerWaalsContact O-CG 3.24Å; C340-L344 WeakPolarHBondContact O-CG 3.16Å; C340-L344 PolarHBondContact O-N 3.39Å; D341-L344 PolarHBondContact O-N 3.07Å; L344-L346 VanDerWaalsContact C-N 3.28Å; L344-D347 WeakPolarHBondContact CA-O 3.31Å; L344-D347 WeakPolarHBondContact CD2-O 3.23Å; L344-D347 CarbonylContact O-C 3.56Å; L344-S348 WeakPolarHBondContact O-CA 3.46Å; L344-S348 PolarHBondContact O-N 2.83Å; L344-N350 HydrophobicContact CD2-CB 4.1Å; L344-L354 HydrophobicContact CD1-CD2 3.85Å; L344-L354 HydrophobicContact CD1-CG 4.34Å; L344-L354 HydrophobicContact CD2-CD2 4Å; L344-L354 HydrophobicContact CD2-CG 3.77Å; L344-R357 VanDerWaalsContact CD1-CZ 3.47Å
345	G	96.9	Very high	97.6	Very high	68 Å²	68	49.7 Å²	49.7	70%	0.701	27%	0.273	S	S	*	.	H	α-helix	trans	-65.8	-30.6	166.8	0	0	0	0	0	112.9	D341 K342 A343	D341-G345 PolarHBondContact O-N 2.71Å; K342-G345 PolarHBondContact O-N 3.1Å; A343-G345 VanDerWaalsContact C-N 3.3Å
346	L	95.1	Very high	97.7	Very high	77 Å²	77	47.4 Å²	47.4	40%	0.403	26%	0.262	S	S	.	.	H	α-helix	trans	-87.3	-42.5	175.9	-60.4	174.1	0	0	0	112.2	L316 L317 F320 K342 A343 L344	L316-L346 HydrophobicContact CB-CD1 3.77Å; L317-L346 HydrophobicContact CB-CD1 4.2Å; L317-L346 HydrophobicContact CD1-CB 4.47Å; F320-L346 HydrophobicContact CD2-CD1 3.99Å; F320-L346 HydrophobicContact CE2-CD1 4.13Å; K342-L346 PolarHBondContact O-N 2.78Å; A343-L346 PolarHBondContact O-N 3.45Å; A343-L346 VanDerWaalsContact O-N 3.16Å; L344-L346 VanDerWaalsContact C-N 3.28Å
347	D	96.9	Very high	97.7	Very high	55 Å²	55	49.2 Å²	49.2	29%	0.294	27%	0.269	S	S	.	.			trans	-135.5	93.9	178.4	174.9	10.9	0	0	0	109.9	L317 A343 L344 A349 N350	L317-D347 HydrophobicContact CD1-CB 4.12Å; L317-D347 HydrophobicContact CD2-CB 3.96Å; A343-D347 PolarHBondContact O-N 3.14Å; L344-D347 WeakPolarHBondContact CA-O 3.31Å; L344-D347 WeakPolarHBondContact CD2-O 3.23Å; L344-D347 CarbonylContact O-C 3.56Å; D347-A349 PolarHBondContact O-N 2.88Å; D347-A349 VanDerWaalsContact O-N 3.15Å; D347-A349 PolarHBondContact OD1-N 2.74Å; D347-N350 HydrophobicContact CB-CB 4.04Å; D347-N350 VanDerWaalsContact O-CB 3.3Å; D347-N350 WeakPolarHBondContact O-CB 3.44Å; D347-N350 PolarHBondContact O-N 3.34Å; D347-N350 VanDerWaalsContact O-N 3.08Å; D347-N350 PolarHBondContact OD1-N 3.17Å; D347-N350 VanDerWaalsContact OD2-CB 3.32Å; D347-N350 WeakPolarHBondContact OD2-CB 3.49Å; D347-N350 PolarHBondContact OD2-ND2 2.83Å
348	S	96.8	Very high	97.6	Very high	99 Å²	99	48.3 Å²	48.3	69%	0.692	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-19.4	-173.7	60.5	0	0	0	0	114.5	L344	L344-S348 WeakPolarHBondContact O-CA 3.46Å; L344-S348 PolarHBondContact O-N 2.83Å
349	A	96.3	Very high	97.6	Very high	47 Å²	47	46.2 Å²	46.2	39%	0.388	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.8	16.3	178.7	0	0	0	0	0	112.4	D347 E351 V380	D347-A349 PolarHBondContact O-N 2.88Å; D347-A349 VanDerWaalsContact O-N 3.15Å; D347-A349 PolarHBondContact OD1-N 2.74Å; A349-E351 PolarHBondContact O-N 3.07Å; A349-V380 HydrophobicContact CB-CG2 4.11Å; A349-V380 WeakPolarHBondContact O-CG1 3.37Å
350	N	97.9	Very high	97.6	Very high	22 Å²	22	45.5 Å²	45.5	12%	0.118	25%	0.249	C	C	.	.			trans	-65.7	110.9	-177.6	-162.2	-87.5	0	0	0	112	L344 D347 K352 G353 L354	L344-N350 HydrophobicContact CD2-CB 4.1Å; D347-N350 HydrophobicContact CB-CB 4.04Å; D347-N350 VanDerWaalsContact O-CB 3.3Å; D347-N350 WeakPolarHBondContact O-CB 3.44Å; D347-N350 PolarHBondContact O-N 3.34Å; D347-N350 VanDerWaalsContact O-N 3.08Å; D347-N350 PolarHBondContact OD1-N 3.17Å; D347-N350 VanDerWaalsContact OD2-CB 3.32Å; D347-N350 WeakPolarHBondContact OD2-CB 3.49Å; D347-N350 PolarHBondContact OD2-ND2 2.83Å; N350-K352 VanDerWaalsContact C-N 3.28Å; N350-K352 PolarHBondContact O-N 3.01Å; N350-K352 PolarHBondContact OD1-N 3.15Å; N350-G353 PolarHBondContact O-N 2.99Å; N350-G353 VanDerWaalsContact O-N 3.15Å; N350-G353 PolarHBondContact OD1-N 2.87Å; N350-L354 PolarHBondContact O-N 3.43Å
351	E	97.4	Very high	97.6	Very high	65 Å²	65	46.5 Å²	46.5	30%	0.304	25%	0.253	S	S	.	.	H	α-helix	trans	-55.1	-42.5	-178.3	-168.3	-173.1	155.1	0	0	112.3	A349 Y355 V377 V380 N381 N384	A349-E351 PolarHBondContact O-N 3.07Å; E351-Y355 VanDerWaalsContact O-CB 3.24Å; E351-Y355 WeakPolarHBondContact O-CB 3.31Å; E351-Y355 PolarHBondContact O-N 3.35Å; E351-V377 HydrophobicContact CG-CG1 4Å; E351-V380 HydrophobicContact CB-CG1 4.37Å; E351-N381 HydrophobicContact CG-CB 4.45Å; E351-N381 PolarHBondContact OE1-ND2 2.61Å; E351-N381 PolarHBondContact OE2-ND2 3.36Å; E351-N384 PolarHBondContact OE1-ND2 3.33Å
352	K	97.2	Very high	97.5	Very high	133 Å²	133	43.2 Å²	43.2	58%	0.578	24%	0.236	S	C	*	.	H	α-helix	trans	-71.1	-39.1	-179	-67	178.1	-177.7	171.6	0	111.9	L321 N350 R356	L321-K352 HydrophobicContact CD2-CB 4.1Å; N350-K352 VanDerWaalsContact C-N 3.28Å; N350-K352 PolarHBondContact O-N 3.01Å; N350-K352 PolarHBondContact OD1-N 3.15Å; K352-R356 VanDerWaalsContact O-CB 3.27Å; K352-R356 WeakPolarHBondContact O-CB 3.38Å; K352-R356 WeakPolarHBondContact O-CD 3.28Å; K352-R356 WeakPolarHBondContact O-CG 3.42Å; K352-R356 PolarHBondContact O-N 2.66Å
353	G	97.6	Very high	97.5	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-61.8	-52.7	177.9	0	0	0	0	0	111.4	N350 Y355 R356 R357	N350-G353 PolarHBondContact O-N 2.99Å; N350-G353 VanDerWaalsContact O-N 3.15Å; N350-G353 PolarHBondContact OD1-N 2.87Å; G353-Y355 PolarHBondContact O-N 3.4Å; G353-R356 PolarHBondContact O-N 2.92Å; G353-R357 WeakPolarHBondContact O-CB 3.35Å; G353-R357 PolarHBondContact O-N 3.03Å
354	L	98.3	Very high	97.4	Very high	6 Å²	6	44.1 Å²	44.1	3%	0.031	24%	0.244	C	C	.	.	H	α-helix	trans	-59	-47.5	177.2	-69.7	167.5	0	0	0	111.5	L344 N350 R356 R357 G358 K376 V377 V380	L344-L354 HydrophobicContact CD1-CD2 3.85Å; L344-L354 HydrophobicContact CD1-CG 4.34Å; L344-L354 HydrophobicContact CD2-CD2 4Å; L344-L354 HydrophobicContact CD2-CG 3.77Å; N350-L354 PolarHBondContact O-N 3.43Å; L354-R356 PolarHBondContact O-N 3.02Å; L354-R357 PolarHBondContact O-N 3.05Å; L354-G358 PolarHBondContact O-N 2.86Å; L354-K376 HydrophobicContact CD1-CB 3.9Å; L354-K376 HydrophobicContact CD2-CB 4.08Å; L354-K376 HydrophobicContact CD2-CD 4.09Å; L354-V377 HydrophobicContact CB-CG2 3.52Å; L354-V380 HydrophobicContact CD1-CG2 4.19Å
355	Y	98.3	Very high	97.4	Very high	48 Å²	48	47.3 Å²	47.3	19%	0.188	26%	0.261	C	S	.	.	H	α-helix	trans	-63	-44.5	-178.4	-172.2	-82.6	0	0	0	112.3	E351 G353 G358 E359 F374 V377 A386 A387	E351-Y355 VanDerWaalsContact O-CB 3.24Å; E351-Y355 WeakPolarHBondContact O-CB 3.31Å; E351-Y355 PolarHBondContact O-N 3.35Å; G353-Y355 PolarHBondContact O-N 3.4Å; Y355-G358 PolarHBondContact O-N 2.8Å; Y355-E359 PolarHBondContact O-N 2.89Å; Y355-F374 HydrophobicContact CD2-CD1 4.01Å; Y355-F374 AromaticContact CD2-CE1 3.9Å; Y355-F374 HydrophobicContact CD2-CE1 3.9Å; Y355-F374 HydrophobicContact CE2-CD1 4.18Å; Y355-F374 AromaticContact CE2-CE1 3.9Å; Y355-F374 HydrophobicContact CE2-CE1 3.9Å; Y355-F374 HydrophobicContact CG-CE1 4.26Å; Y355-V377 HydrophobicContact CD2-CG1 4.41Å; Y355-V377 HydrophobicContact CD2-CG2 4.49Å; Y355-A386 HydrophobicContact CE2-CB 3.85Å; Y355-A387 HydrophobicContact CD2-CB 4.37Å; Y355-A387 HydrophobicContact CE2-CB 4.38Å
356	R	98.4	Very high	97.3	Very high	36 Å²	36	48.1 Å²	48.1	14%	0.136	25%	0.247	C	C	.	.	H	α-helix	trans	-68.8	-35.9	179.7	-73.7	171.7	176.8	167.2	-1.2	112.2	L321 L328 K352 G353 L354 E359 A360	L321-R356 PolarHBondContact O-NH1 3.37Å; L328-R356 HydrophobicContact CD1-CB 3.98Å; L328-R356 HydrophobicContact CD1-CG 3.98Å; K352-R356 VanDerWaalsContact O-CB 3.27Å; K352-R356 WeakPolarHBondContact O-CB 3.38Å; K352-R356 WeakPolarHBondContact O-CD 3.28Å; K352-R356 WeakPolarHBondContact O-CG 3.42Å; K352-R356 PolarHBondContact O-N 2.66Å; G353-R356 PolarHBondContact O-N 2.92Å; L354-R356 PolarHBondContact O-N 3.02Å; R356-E359 PolarHBondContact O-N 2.85Å; R356-A360 PolarHBondContact O-N 2.8Å
357	R	98.4	Very high	97.4	Very high	38 Å²	38	45.5 Å²	45.5	14%	0.143	23%	0.232	C	C	.	.	H	α-helix	trans	-63.1	-46.7	174.1	-163.2	171.3	65.8	-174	-4.1	111	V337 C340 D341 L344 G353 L354 E359 A360 Q361 D373	V337-R357 HydrophobicContact CB-CG 4.49Å; V337-R357 HydrophobicContact CG1-CG 4.07Å; V337-R357 HydrophobicContact CG2-CG 4.24Å; C340-R357 HydrophobicContact CB-CB 3.62Å; C340-R357 HydrophobicContact CB-CG 3.99Å; C340-R357 PolarHBondContact SG-N 3.07Å; D341-R357 WeakPolarHBondContact OD1-CD 3.47Å; D341-R357 IonicContact OD1-CZ 3.39Å; D341-R357 IonicContact OD1-NE 2.9Å; D341-R357 IonicContact OD1-NH1 2.8Å; D341-R357 PolarHBondContact OD1-NH1 3.11Å; L344-R357 VanDerWaalsContact CD1-CZ 3.47Å; G353-R357 WeakPolarHBondContact O-CB 3.35Å; G353-R357 PolarHBondContact O-N 3.03Å; L354-R357 PolarHBondContact O-N 3.05Å; R357-E359 VanDerWaalsContact C-N 3.33Å; R357-E359 PolarHBondContact O-N 3.45Å; R357-A360 PolarHBondContact O-N 3.28Å; R357-Q361 WeakPolarHBondContact O-CB 3.33Å; R357-Q361 WeakPolarHBondContact O-CG 3.18Å; R357-Q361 PolarHBondContact O-N 3.2Å; R357-D373 WeakPolarHBondContact CB-OD2 3.42Å; R357-D373 VanDerWaalsContact CG-OD2 3.28Å; R357-D373 WeakPolarHBondContact CG-OD2 3.3Å; R357-D373 IonicContact CZ-OD1 2.73Å; R357-D373 IonicContact CZ-OD2 2.7Å; R357-D373 IonicContact NE-OD1 2.78Å; R357-D373 PolarHBondContact NE-OD1 2.83Å; R357-D373 IonicContact NE-OD2 2.86Å; R357-D373 PolarHBondContact NE-OD2 3.31Å; R357-D373 IonicContact NH2-OD1 3.07Å; R357-D373 PolarHBondContact NH2-OD1 3.25Å; R357-D373 IonicContact NH2-OD2 3.03Å
358	G	97.9	Very high	97.3	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-60.3	-39.3	174.5	0	0	0	0	0	113.1	L354 Y355 L362 A370 D373	L354-G358 PolarHBondContact O-N 2.86Å; Y355-G358 PolarHBondContact O-N 2.8Å; G358-L362 VanDerWaalsContact O-CB 3.23Å; G358-L362 WeakPolarHBondContact O-CB 3.49Å; G358-L362 PolarHBondContact O-N 2.98Å; G358-A370 WeakPolarHBondContact O-CB 3.39Å; G358-D373 PolarHBondContact N-OD2 2.73Å
359	E	98	Very high	97.3	Very high	67 Å²	67	47.4 Å²	47.4	31%	0.313	24%	0.235	S	C	.	.	H	α-helix	trans	-63.1	-46.2	175.4	-172.5	175.3	-173.3	0	0	112	L328 Y355 R356 R357 L362 L363	L328-E359 HydrophobicContact CD2-CB 4.37Å; L328-E359 HydrophobicContact CD2-CG 4.11Å; Y355-E359 PolarHBondContact O-N 2.89Å; R356-E359 PolarHBondContact O-N 2.85Å; R357-E359 VanDerWaalsContact C-N 3.33Å; R357-E359 PolarHBondContact O-N 3.45Å; E359-L362 PolarHBondContact O-N 3.43Å; E359-L363 HydrophobicContact CG-CD1 4.34Å; E359-L363 WeakPolarHBondContact O-CG 3.03Å; E359-L363 PolarHBondContact O-N 2.84Å; E359-L363 VanDerWaalsContact O-N 3.13Å
360	A	98.1	Very high	97.4	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-64.3	-47.2	177.9	0	0	0	0	0	112	L328 A336 V337 R356 R357 L362 L363 M364	L328-A360 HydrophobicContact CD2-CB 3.85Å; A336-A360 HydrophobicContact CB-CB 3.99Å; V337-A360 HydrophobicContact CG2-CB 3.67Å; R356-A360 PolarHBondContact O-N 2.8Å; R357-A360 PolarHBondContact O-N 3.28Å; A360-L362 VanDerWaalsContact C-N 3.34Å; A360-L362 PolarHBondContact O-N 2.68Å; A360-L363 PolarHBondContact O-N 3.19Å; A360-L363 VanDerWaalsContact O-N 3.15Å; A360-M364 WeakPolarHBondContact O-CG 3.3Å; A360-M364 PolarHBondContact O-N 3.35Å
361	Q	98.1	Very high	97.4	Very high	20 Å²	20	46.3 Å²	46.3	9%	0.093	22%	0.22	C	C	.	.	H	α-helix	trans	-61.1	-41.2	177.3	-74.8	177.9	-16.5	0	0	112.2	V337 R357 L363 M364 N365 E366 S369 A370 D373	V337-Q361 HydrophobicContact CG2-CG 3.93Å; R357-Q361 WeakPolarHBondContact O-CB 3.33Å; R357-Q361 WeakPolarHBondContact O-CG 3.18Å; R357-Q361 PolarHBondContact O-N 3.2Å; Q361-L363 VanDerWaalsContact C-N 3.28Å; Q361-L363 PolarHBondContact O-N 2.83Å; Q361-M364 HydrophobicContact CG-CE 4.25Å; Q361-M364 CarbonylContact O-C 3.46Å; Q361-M364 PolarHBondContact O-N 3.09Å; Q361-M364 VanDerWaalsContact O-N 3.09Å; Q361-N365 PolarHBondContact O-N 3.4Å; Q361-E366 HydrophobicContact CB-CB 4.1Å; Q361-E366 PolarHBondContact O-N 3.48Å; Q361-S369 VanDerWaalsContact OE1-CB 3.32Å; Q361-S369 PolarHBondContact OE1-O 2.95Å; Q361-A370 HydrophobicContact CB-CB 3.83Å; Q361-A370 VanDerWaalsContact OE1-N 3.16Å; Q361-D373 PolarHBondContact OE1-OD2 3.24Å; Q361-D373 VanDerWaalsContact OE1-OD2 3.08Å
362	L	97.1	Very high	97.4	Very high	5 Å²	5	44.3 Å²	44.3	3%	0.026	22%	0.218	C	C	.	.	H	α-helix	trans	-62.2	-36.8	175.7	-179.5	57.5	0	0	0	112.1	G358 E359 A360 M364 N365 F367 A370 F374 M393 C394 K397	G358-L362 VanDerWaalsContact O-CB 3.23Å; G358-L362 WeakPolarHBondContact O-CB 3.49Å; G358-L362 PolarHBondContact O-N 2.98Å; E359-L362 PolarHBondContact O-N 3.43Å; A360-L362 VanDerWaalsContact C-N 3.34Å; A360-L362 PolarHBondContact O-N 2.68Å; L362-M364 VanDerWaalsContact C-N 3.3Å; L362-N365 PolarHBondContact O-N 2.9Å; L362-F367 HydrophobicContact CD1-CD1 3.77Å; L362-F367 HydrophobicContact CD1-CE1 4.15Å; L362-A370 HydrophobicContact CB-CB 3.91Å; L362-F374 HydrophobicContact CD2-CE2 4.4Å; L362-M393 HydrophobicContact CD2-CE 4.18Å; L362-C394 HydrophobicContact CD1-CB 4.45Å; L362-K397 HydrophobicContact CD1-CD 3.98Å
363	L	96.8	Very high	97.4	Very high	72 Å²	72	38.3 Å²	38.3	38%	0.377	19%	0.192	S	C	.	.	H	α-helix	trans	-71.9	-24.8	175.6	-70.1	167	0	0	0	112.7	L328 Y333 E359 A360 Q361 N365	L328-L363 HydrophobicContact CD2-CD1 4.27Å; Y333-L363 HydrophobicContact CD1-CB 4Å; Y333-L363 HydrophobicContact CD1-CD1 3.88Å; Y333-L363 HydrophobicContact CD2-CB 4.09Å; Y333-L363 HydrophobicContact CE1-CB 3.91Å; Y333-L363 HydrophobicContact CE1-CD1 3.44Å; Y333-L363 VanDerWaalsContact CE1-CD1 3.44Å; Y333-L363 HydrophobicContact CE1-CG 4.22Å; Y333-L363 HydrophobicContact CE2-CB 3.99Å; Y333-L363 HydrophobicContact CG-CB 4.09Å; E359-L363 HydrophobicContact CG-CD1 4.34Å; E359-L363 WeakPolarHBondContact O-CG 3.03Å; E359-L363 PolarHBondContact O-N 2.84Å; E359-L363 VanDerWaalsContact O-N 3.13Å; A360-L363 PolarHBondContact O-N 3.19Å; A360-L363 VanDerWaalsContact O-N 3.15Å; Q361-L363 VanDerWaalsContact C-N 3.28Å; Q361-L363 PolarHBondContact O-N 2.83Å; L363-N365 VanDerWaalsContact C-N 3.3Å
364	M	96.8	Very high	97.4	Very high	51 Å²	51	38.3 Å²	38.3	25%	0.251	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	3.2	171.6	-64	-174.4	-61	0	0	113.8	Y333 V337 A360 Q361 L362 E366	Y333-M364 VanDerWaalsContact CB-CG 3.48Å; Y333-M364 HydrophobicContact CD2-CG 4.04Å; Y333-M364 HydrophobicContact CG-CG 4.15Å; V337-M364 HydrophobicContact CG2-CE 3.52Å; A360-M364 WeakPolarHBondContact O-CG 3.3Å; A360-M364 PolarHBondContact O-N 3.35Å; Q361-M364 HydrophobicContact CG-CE 4.25Å; Q361-M364 CarbonylContact O-C 3.46Å; Q361-M364 PolarHBondContact O-N 3.09Å; Q361-M364 VanDerWaalsContact O-N 3.09Å; L362-M364 VanDerWaalsContact C-N 3.3Å; M364-E366 VanDerWaalsContact C-N 3.28Å; M364-E366 HydrophobicContact CB-CG 4.41Å; M364-E366 PolarHBondContact O-N 2.88Å
365	N	96.3	Very high	97.4	Very high	84 Å²	84	41.9 Å²	41.9	45%	0.449	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.5	21.6	-174.6	-54.3	-51.5	0	0	0	115	Q361 L362 L363 F367	Q361-N365 PolarHBondContact O-N 3.4Å; L362-N365 PolarHBondContact O-N 2.9Å; L363-N365 VanDerWaalsContact C-N 3.3Å; N365-F367 VanDerWaalsContact C-N 3.29Å; N365-F367 HydrophobicContact CB-CE1 4.08Å; N365-F367 HydrophobicContact CB-CE2 3.93Å; N365-F367 HydrophobicContact CB-CZ 3.52Å; N365-F367 VanDerWaalsContact O-CD2 3.27Å; N365-F367 WeakPolarHBondContact O-CD2 3.18Å; N365-F367 VanDerWaalsContact O-CE2 3.32Å; N365-F367 WeakPolarHBondContact O-CE2 3.41Å; N365-F367 PolarHBondContact O-N 2.72Å; N365-F367 VanDerWaalsContact O-N 3.08Å
366	E	96.6	Very high	97.4	Very high	85 Å²	85	44.3 Å²	44.3	40%	0.397	22%	0.22	S	C	.	.			trans	-85.2	68.8	172.8	-64.9	-176.2	-172	0	0	110.7	Q361 M364 E368 S369 A370	Q361-E366 HydrophobicContact CB-CB 4.1Å; Q361-E366 PolarHBondContact O-N 3.48Å; M364-E366 VanDerWaalsContact C-N 3.28Å; M364-E366 HydrophobicContact CB-CG 4.41Å; M364-E366 PolarHBondContact O-N 2.88Å; E366-E368 PolarHBondContact O-N 2.71Å; E366-S369 PolarHBondContact O-N 2.96Å; E366-A370 WeakPolarHBondContact O-CB 3.35Å; E366-A370 PolarHBondContact O-N 3.38Å
367	F	96.4	Very high	97.3	Very high	22 Å²	22	42.6 Å²	42.6	10%	0.096	21%	0.213	C	C	.	.	H	α-helix	trans	-64	-40.6	-165.3	-51.7	-64	0	0	0	114.9	L362 N365 K371 K397 A398 H401	L362-F367 HydrophobicContact CD1-CD1 3.77Å; L362-F367 HydrophobicContact CD1-CE1 4.15Å; N365-F367 VanDerWaalsContact C-N 3.29Å; N365-F367 HydrophobicContact CB-CE1 4.08Å; N365-F367 HydrophobicContact CB-CE2 3.93Å; N365-F367 HydrophobicContact CB-CZ 3.52Å; N365-F367 VanDerWaalsContact O-CD2 3.27Å; N365-F367 WeakPolarHBondContact O-CD2 3.18Å; N365-F367 VanDerWaalsContact O-CE2 3.32Å; N365-F367 WeakPolarHBondContact O-CE2 3.41Å; N365-F367 PolarHBondContact O-N 2.72Å; N365-F367 VanDerWaalsContact O-N 3.08Å; F367-K371 VanDerWaalsContact O-CB 3.24Å; F367-K371 WeakPolarHBondContact O-CB 3.34Å; F367-K371 PolarHBondContact O-N 3.31Å; F367-K397 HydrophobicContact CD1-CB 3.95Å; F367-K397 HydrophobicContact CE1-CB 3.51Å; F367-K397 HydrophobicContact CE1-CD 4.27Å; F367-K397 HydrophobicContact CZ-CB 4.15Å; F367-A398 HydrophobicContact CB-CB 3.8Å; F367-A398 HydrophobicContact CD2-CB 3.78Å; F367-A398 HydrophobicContact CG-CB 3.8Å; F367-H401 HydrophobicContact CE2-CB 3.57Å; F367-H401 AromaticContact CE2-CD2 3.8Å; F367-H401 AromaticContact CE2-CG 3.68Å; F367-H401 HydrophobicContact CZ-CB 3.96Å; F367-H401 AromaticContact CZ-CD2 3.92Å
368	E	95	Very high	97.2	Very high	136 Å²	136	42.3 Å²	42.3	64%	0.636	22%	0.215	S	C	*	.	H	α-helix	trans	-71.3	-42.1	-179.7	-68.1	-57.7	147.8	0	0	111.5	E366 K371 G372	E366-E368 PolarHBondContact O-N 2.71Å; E368-K371 PolarHBondContact O-N 2.66Å; E368-G372 PolarHBondContact O-N 3.28Å
369	S	97	Very high	97.2	Very high	59 Å²	59	49.6 Å²	49.6	41%	0.413	25%	0.249	S	C	.	.	H	α-helix	trans	-58.7	-50.5	173.6	-52.6	0	0	0	0	110.9	Q361 E366 K371 G372 D373	Q361-S369 VanDerWaalsContact OE1-CB 3.32Å; Q361-S369 PolarHBondContact OE1-O 2.95Å; E366-S369 PolarHBondContact O-N 2.96Å; S369-K371 VanDerWaalsContact C-N 3.31Å; S369-K371 PolarHBondContact O-N 3.33Å; S369-G372 PolarHBondContact O-N 2.87Å; S369-G372 VanDerWaalsContact O-N 3.15Å; S369-D373 PolarHBondContact O-N 3.42Å; S369-D373 VanDerWaalsContact O-N 3.08Å
370	A	97.8	Very high	97.1	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-60.6	-41.6	179.9	0	0	0	0	0	112.2	G358 Q361 L362 E366 D373 F374	G358-A370 WeakPolarHBondContact O-CB 3.39Å; Q361-A370 HydrophobicContact CB-CB 3.83Å; Q361-A370 VanDerWaalsContact OE1-N 3.16Å; L362-A370 HydrophobicContact CB-CB 3.91Å; E366-A370 WeakPolarHBondContact O-CB 3.35Å; E366-A370 PolarHBondContact O-N 3.38Å; A370-D373 PolarHBondContact O-N 2.84Å; A370-F374 HydrophobicContact CB-CE2 4.3Å; A370-F374 WeakPolarHBondContact O-CD2 3.5Å; A370-F374 PolarHBondContact O-N 2.85Å; A370-F374 VanDerWaalsContact O-N 3.07Å
371	K	97.3	Very high	97	Very high	45 Å²	45	51.8 Å²	51.8	20%	0.196	27%	0.265	C	S	.	.	H	α-helix	trans	-60.9	-46	176.4	-178.8	-176.5	164.2	-151	0	111.3	F367 E368 S369 D373 F374 E375 I391 C394	F367-K371 VanDerWaalsContact O-CB 3.24Å; F367-K371 WeakPolarHBondContact O-CB 3.34Å; F367-K371 PolarHBondContact O-N 3.31Å; E368-K371 PolarHBondContact O-N 2.66Å; S369-K371 VanDerWaalsContact C-N 3.31Å; S369-K371 PolarHBondContact O-N 3.33Å; K371-D373 VanDerWaalsContact C-N 3.26Å; K371-D373 PolarHBondContact O-N 2.94Å; K371-F374 PolarHBondContact O-N 3.14Å; K371-E375 WeakPolarHBondContact CE-OE1 3.39Å; K371-E375 IonicContact NZ-OE1 3.88Å; K371-E375 WeakPolarHBondContact O-CG 3.31Å; K371-E375 PolarHBondContact O-N 3.33Å; K371-I391 HydrophobicContact CG-CG2 4.25Å; K371-C394 HydrophobicContact CB-CB 4.13Å
372	G	97.4	Very high	96.9	Very high	24 Å²	24	54.8 Å²	54.8	25%	0.247	29%	0.286	C	S	.	.	H	α-helix	trans	-59.4	-36.8	176.8	0	0	0	0	0	112.9	E368 S369 E375 K376	E368-G372 PolarHBondContact O-N 3.28Å; S369-G372 PolarHBondContact O-N 2.87Å; S369-G372 VanDerWaalsContact O-N 3.15Å; G372-E375 PolarHBondContact O-N 3.38Å; G372-K376 WeakPolarHBondContact O-CG 3.49Å; G372-K376 PolarHBondContact O-N 2.63Å; G372-K376 VanDerWaalsContact O-N 3.09Å
373	D	98.1	Very high	96.8	Very high	6 Å²	6	62.7 Å²	62.7	3%	0.032	32%	0.323	C	S	.	.	H	α-helix	trans	-67.2	-44.7	174.8	-80.9	-15.2	0	0	0	112.8	R357 G358 Q361 S369 A370 K371 E375 K376 V377	R357-D373 WeakPolarHBondContact CB-OD2 3.42Å; R357-D373 VanDerWaalsContact CG-OD2 3.28Å; R357-D373 WeakPolarHBondContact CG-OD2 3.3Å; R357-D373 IonicContact CZ-OD1 2.73Å; R357-D373 IonicContact CZ-OD2 2.7Å; R357-D373 IonicContact NE-OD1 2.78Å; R357-D373 PolarHBondContact NE-OD1 2.83Å; R357-D373 IonicContact NE-OD2 2.86Å; R357-D373 PolarHBondContact NE-OD2 3.31Å; R357-D373 IonicContact NH2-OD1 3.07Å; R357-D373 PolarHBondContact NH2-OD1 3.25Å; R357-D373 IonicContact NH2-OD2 3.03Å; G358-D373 PolarHBondContact N-OD2 2.73Å; Q361-D373 PolarHBondContact OE1-OD2 3.24Å; Q361-D373 VanDerWaalsContact OE1-OD2 3.08Å; S369-D373 PolarHBondContact O-N 3.42Å; S369-D373 VanDerWaalsContact O-N 3.08Å; A370-D373 PolarHBondContact O-N 2.84Å; K371-D373 VanDerWaalsContact C-N 3.26Å; K371-D373 PolarHBondContact O-N 2.94Å; D373-E375 VanDerWaalsContact C-N 3.31Å; D373-E375 PolarHBondContact O-N 3.09Å; D373-K376 PolarHBondContact O-N 3.28Å; D373-V377 WeakPolarHBondContact O-CG2 3.35Å; D373-V377 PolarHBondContact O-N 2.8Å
374	F	98.1	Very high	96.7	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-67.9	-30.1	176.6	-64.9	-56.1	0	0	0	113.2	Y355 L362 A370 K371 V377 L378 A387 Q390 I391	Y355-F374 HydrophobicContact CD2-CD1 4.01Å; Y355-F374 AromaticContact CD2-CE1 3.9Å; Y355-F374 HydrophobicContact CD2-CE1 3.9Å; Y355-F374 HydrophobicContact CE2-CD1 4.18Å; Y355-F374 AromaticContact CE2-CE1 3.9Å; Y355-F374 HydrophobicContact CE2-CE1 3.9Å; Y355-F374 HydrophobicContact CG-CE1 4.26Å; L362-F374 HydrophobicContact CD2-CE2 4.4Å; A370-F374 HydrophobicContact CB-CE2 4.3Å; A370-F374 WeakPolarHBondContact O-CD2 3.5Å; A370-F374 PolarHBondContact O-N 2.85Å; A370-F374 VanDerWaalsContact O-N 3.07Å; K371-F374 PolarHBondContact O-N 3.14Å; F374-V377 WeakPolarHBondContact O-CB 3.4Å; F374-V377 PolarHBondContact O-N 3.29Å; F374-L378 PolarHBondContact O-N 3.37Å; F374-A387 HydrophobicContact CB-CB 4.46Å; F374-A387 HydrophobicContact CD1-CB 4.43Å; F374-Q390 HydrophobicContact CD1-CB 3.94Å; F374-Q390 HydrophobicContact CD1-CG 4.43Å; F374-Q390 HydrophobicContact CD2-CB 3.62Å; F374-Q390 HydrophobicContact CE1-CB 3.79Å; F374-Q390 HydrophobicContact CE1-CG 3.91Å; F374-Q390 HydrophobicContact CE2-CB 3.48Å; F374-Q390 VanDerWaalsContact CE2-CB 3.48Å; F374-Q390 HydrophobicContact CE2-CG 4.2Å; F374-Q390 HydrophobicContact CG-CB 3.86Å; F374-Q390 HydrophobicContact CZ-CB 3.55Å; F374-Q390 HydrophobicContact CZ-CG 3.77Å; F374-I391 HydrophobicContact CB-CD1 4.11Å; F374-I391 HydrophobicContact CB-CG1 3.54Å
375	E	97.5	Very high	96.7	Very high	81 Å²	81	65.8 Å²	65.8	38%	0.379	33%	0.333	S	S	.	.	H	α-helix	trans	-64.3	-46.4	171.7	-75	173.2	167.4	0	0	110.6	K371 G372 D373 V377 L378 E379 I391	K371-E375 WeakPolarHBondContact CE-OE1 3.39Å; K371-E375 IonicContact NZ-OE1 3.88Å; K371-E375 WeakPolarHBondContact O-CG 3.31Å; K371-E375 PolarHBondContact O-N 3.33Å; G372-E375 PolarHBondContact O-N 3.38Å; D373-E375 VanDerWaalsContact C-N 3.31Å; D373-E375 PolarHBondContact O-N 3.09Å; E375-V377 VanDerWaalsContact C-N 3.28Å; E375-V377 PolarHBondContact O-N 3.07Å; E375-L378 WeakPolarHBondContact O-CA 3.35Å; E375-L378 WeakPolarHBondContact O-CB 3.17Å; E375-L378 PolarHBondContact O-N 3.34Å; E375-E379 PolarHBondContact O-N 3.49Å; E375-I391 HydrophobicContact CG-CD1 3.8Å; E375-I391 HydrophobicContact CG-CG1 4.39Å
376	K	97.6	Very high	96.6	Very high	99 Å²	99	63.6 Å²	63.6	43%	0.43	33%	0.326	S	S	.	.	H	α-helix	trans	-60.5	-35	173	-71.3	175.3	-179.8	176.6	0	113	L354 G372 D373 L378 E379 V380	L354-K376 HydrophobicContact CD1-CB 3.9Å; L354-K376 HydrophobicContact CD2-CB 4.08Å; L354-K376 HydrophobicContact CD2-CD 4.09Å; G372-K376 WeakPolarHBondContact O-CG 3.49Å; G372-K376 PolarHBondContact O-N 2.63Å; G372-K376 VanDerWaalsContact O-N 3.09Å; D373-K376 PolarHBondContact O-N 3.28Å; K376-L378 VanDerWaalsContact C-N 3.28Å; K376-L378 PolarHBondContact O-N 3.35Å; K376-E379 WeakPolarHBondContact O-CB 3.48Å; K376-E379 PolarHBondContact O-N 2.99Å; K376-V380 WeakPolarHBondContact O-CG2 3.33Å; K376-V380 PolarHBondContact O-N 3.24Å; K376-V380 VanDerWaalsContact O-N 3.1Å
377	V	97.9	Very high	96.6	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-59.3	-40.9	171.8	172.9	0	0	0	0	111.2	E351 L354 Y355 D373 F374 E375 E379 V380 N381 N384 A387	E351-V377 HydrophobicContact CG-CG1 4Å; L354-V377 HydrophobicContact CB-CG2 3.52Å; Y355-V377 HydrophobicContact CD2-CG1 4.41Å; Y355-V377 HydrophobicContact CD2-CG2 4.49Å; D373-V377 WeakPolarHBondContact O-CG2 3.35Å; D373-V377 PolarHBondContact O-N 2.8Å; F374-V377 WeakPolarHBondContact O-CB 3.4Å; F374-V377 PolarHBondContact O-N 3.29Å; E375-V377 VanDerWaalsContact C-N 3.28Å; E375-V377 PolarHBondContact O-N 3.07Å; V377-E379 VanDerWaalsContact C-N 3.35Å; V377-V380 PolarHBondContact O-N 2.89Å; V377-N381 PolarHBondContact O-N 3.09Å; V377-N384 HydrophobicContact CG1-CB 4.17Å; V377-A387 HydrophobicContact CB-CB 4.01Å; V377-A387 HydrophobicContact CG1-CB 3.64Å
378	L	96.7	Very high	96.5	Very high	33 Å²	33	65 Å²	65	17%	0.173	33%	0.327	C	S	.	.	H	α-helix	trans	-73.1	-25.7	177.8	-68	177.6	0	0	0	113.1	F374 E375 K376 N381 P382 N384 A387 R388 I391	F374-L378 PolarHBondContact O-N 3.37Å; E375-L378 WeakPolarHBondContact O-CA 3.35Å; E375-L378 WeakPolarHBondContact O-CB 3.17Å; E375-L378 PolarHBondContact O-N 3.34Å; K376-L378 VanDerWaalsContact C-N 3.28Å; K376-L378 PolarHBondContact O-N 3.35Å; L378-N381 CarbonylContact O-C 3.55Å; L378-P382 VanDerWaalsContact O-CA 3.27Å; L378-P382 WeakPolarHBondContact O-CA 3.48Å; L378-P382 WeakPolarHBondContact O-CD 3.39Å; L378-P382 VanDerWaalsContact O-CG 3.3Å; L378-P382 WeakPolarHBondContact O-CG 3.32Å; L378-P382 VanDerWaalsContact O-N 3.15Å; L378-N384 HydrophobicContact CD2-CB 4.48Å; L378-N384 WeakPolarHBondContact CD2-O 3.32Å; L378-A387 HydrophobicContact CD2-CB 3.99Å; L378-A387 HydrophobicContact CG-CB 4.06Å; L378-R388 HydrophobicContact CD1-CB 4.32Å; L378-I391 HydrophobicContact CD1-CD1 3.54Å; L378-I391 HydrophobicContact CG-CD1 4.47Å
379	E	96.8	Very high	96.6	Very high	152 Å²	152	64.1 Å²	64.1	71%	0.71	33%	0.326	S	S	*	.	H	α-helix	trans	-66.1	-40.8	170	-66.6	173.7	-178.3	0	0	111.2	E375 K376 V377	E375-E379 PolarHBondContact O-N 3.49Å; K376-E379 WeakPolarHBondContact O-CB 3.48Å; K376-E379 PolarHBondContact O-N 2.99Å; V377-E379 VanDerWaalsContact C-N 3.35Å
380	V	96.5	Very high	96.6	Very high	66 Å²	66	63 Å²	63	40%	0.4	32%	0.315	S	S	.	.	H	α-helix	trans	-73.4	-47.9	176.3	176.2	0	0	0	0	111.6	A349 E351 L354 K376 V377	A349-V380 HydrophobicContact CB-CG2 4.11Å; A349-V380 WeakPolarHBondContact O-CG1 3.37Å; E351-V380 HydrophobicContact CB-CG1 4.37Å; L354-V380 HydrophobicContact CD1-CG2 4.19Å; K376-V380 WeakPolarHBondContact O-CG2 3.33Å; K376-V380 PolarHBondContact O-N 3.24Å; K376-V380 VanDerWaalsContact O-N 3.1Å; V377-V380 PolarHBondContact O-N 2.89Å
381	N	95	Very high	96.5	Very high	48 Å²	48	64.1 Å²	64.1	26%	0.257	32%	0.32	S	S	.	.			trans	-136.2	90.7	-177.9	-176.4	-2.5	0	0	0	111.3	E351 V377 L378 Q383 N384	E351-N381 HydrophobicContact CG-CB 4.45Å; E351-N381 PolarHBondContact OE1-ND2 2.61Å; E351-N381 PolarHBondContact OE2-ND2 3.36Å; V377-N381 PolarHBondContact O-N 3.09Å; L378-N381 CarbonylContact O-C 3.55Å; N381-Q383 PolarHBondContact O-N 2.91Å; N381-Q383 PolarHBondContact OD1-N 3.36Å; N381-N384 HydrophobicContact CB-CB 4.48Å; N381-N384 WeakPolarHBondContact O-CB 3.39Å; N381-N384 PolarHBondContact O-N 2.85Å
382	P	96.2	Very high	96.4	Very high	82 Å²	82	65.2 Å²	65.2	53%	0.532	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-16.5	-178.9	-23.9	32.3	0	0	0	115	L378 R388	L378-P382 VanDerWaalsContact O-CA 3.27Å; L378-P382 WeakPolarHBondContact O-CA 3.48Å; L378-P382 WeakPolarHBondContact O-CD 3.39Å; L378-P382 VanDerWaalsContact O-CG 3.3Å; L378-P382 WeakPolarHBondContact O-CG 3.32Å; L378-P382 VanDerWaalsContact O-N 3.15Å; P382-R388 PolarHBondContact O-NH2 2.81Å
383	Q	95.5	Very high	96.3	Very high	171 Å²	171	67.6 Å²	67.6	80%	0.799	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.5	-6.3	179.7	-60.2	-169.9	-1.7	0	0	113.1	N381 K385	N381-Q383 PolarHBondContact O-N 2.91Å; N381-Q383 PolarHBondContact OD1-N 3.36Å; Q383-K385 PolarHBondContact O-N 2.83Å
384	N	94.8	Very high	96.2	Very high	25 Å²	25	67.4 Å²	67.4	13%	0.134	34%	0.338	C	S	.	.			trans	-67.6	96.8	178.1	-170.5	-38.3	0	0	0	111	E351 V377 L378 N381 A386 A387	E351-N384 PolarHBondContact OE1-ND2 3.33Å; V377-N384 HydrophobicContact CG1-CB 4.17Å; L378-N384 HydrophobicContact CD2-CB 4.48Å; L378-N384 WeakPolarHBondContact CD2-O 3.32Å; N381-N384 HydrophobicContact CB-CB 4.48Å; N381-N384 WeakPolarHBondContact O-CB 3.39Å; N381-N384 PolarHBondContact O-N 2.85Å; N384-A386 VanDerWaalsContact C-N 3.29Å; N384-A386 PolarHBondContact O-N 3.46Å; N384-A386 WeakPolarHBondContact OD1-CB 3.35Å; N384-A386 PolarHBondContact OD1-N 3.33Å; N384-A387 HydrophobicContact CB-CB 4.29Å; N384-A387 PolarHBondContact OD1-N 2.68Å
385	K	95.4	Very high	96	Very high	163 Å²	163	72.4 Å²	72.4	71%	0.709	36%	0.362	S	S	*	.	H	α-helix	trans	-64.8	-33.1	179.7	-64.1	-178	-177.7	177.3	0	112.5	Q383 R388 L389	Q383-K385 PolarHBondContact O-N 2.83Å; K385-R388 PolarHBondContact O-N 2.9Å; K385-L389 WeakPolarHBondContact O-CG 3.46Å; K385-L389 PolarHBondContact O-N 2.85Å
386	A	95.6	Very high	95.9	Very high	38 Å²	38	74.9 Å²	74.9	31%	0.314	37%	0.371	S	S	.	.	H	α-helix	trans	-66.3	-43.6	-177.6	0	0	0	0	0	110.9	Y355 N384 R388 L389 Q390	Y355-A386 HydrophobicContact CE2-CB 3.85Å; N384-A386 VanDerWaalsContact C-N 3.29Å; N384-A386 PolarHBondContact O-N 3.46Å; N384-A386 WeakPolarHBondContact OD1-CB 3.35Å; N384-A386 PolarHBondContact OD1-N 3.33Å; A386-R388 VanDerWaalsContact C-N 3.34Å; A386-R388 PolarHBondContact O-N 2.98Å; A386-L389 PolarHBondContact O-N 2.92Å; A386-Q390 WeakPolarHBondContact O-CG 3.49Å; A386-Q390 PolarHBondContact O-N 2.96Å
387	A	95.9	Very high	95.8	Very high	0 Å²	0	73.5 Å²	73.5	0%	0	37%	0.366	C	S	.	.	H	α-helix	trans	-59	-44.5	176.7	0	0	0	0	0	111.9	Y355 F374 V377 L378 N384 L389 Q390 I391	Y355-A387 HydrophobicContact CD2-CB 4.37Å; Y355-A387 HydrophobicContact CE2-CB 4.38Å; F374-A387 HydrophobicContact CB-CB 4.46Å; F374-A387 HydrophobicContact CD1-CB 4.43Å; V377-A387 HydrophobicContact CB-CB 4.01Å; V377-A387 HydrophobicContact CG1-CB 3.64Å; L378-A387 HydrophobicContact CD2-CB 3.99Å; L378-A387 HydrophobicContact CG-CB 4.06Å; N384-A387 HydrophobicContact CB-CB 4.29Å; N384-A387 PolarHBondContact OD1-N 2.68Å; A387-L389 VanDerWaalsContact C-N 3.32Å; A387-L389 PolarHBondContact O-N 2.77Å; A387-Q390 PolarHBondContact O-N 2.82Å; A387-Q390 VanDerWaalsContact O-N 3.16Å; A387-I391 WeakPolarHBondContact O-CG1 3.4Å; A387-I391 PolarHBondContact O-N 2.99Å
388	R	95.6	Very high	95.7	Very high	137 Å²	137	74.1 Å²	74.1	52%	0.517	37%	0.371	S	S	.	.	H	α-helix	trans	-60.7	-39.6	176.9	-168.8	176.2	-66	126.3	8.5	112.7	L378 P382 K385 A386 S392	L378-R388 HydrophobicContact CD1-CB 4.32Å; P382-R388 PolarHBondContact O-NH2 2.81Å; K385-R388 PolarHBondContact O-N 2.9Å; A386-R388 VanDerWaalsContact C-N 3.34Å; A386-R388 PolarHBondContact O-N 2.98Å; R388-S392 PolarHBondContact O-N 2.88Å
389	L	96.7	Very high	95.6	Very high	117 Å²	117	79 Å²	79	61%	0.613	39%	0.39	S	S	*	.	H	α-helix	trans	-66.8	-41.7	175.6	-69.8	170	0	0	0	111.5	K385 A386 A387 I391 S392 M393	K385-L389 WeakPolarHBondContact O-CG 3.46Å; K385-L389 PolarHBondContact O-N 2.85Å; A386-L389 PolarHBondContact O-N 2.92Å; A387-L389 VanDerWaalsContact C-N 3.32Å; A387-L389 PolarHBondContact O-N 2.77Å; L389-I391 PolarHBondContact O-N 2.99Å; L389-S392 PolarHBondContact O-N 2.83Å; L389-M393 PolarHBondContact O-N 2.92Å
390	Q	96.8	Very high	95.5	Very high	37 Å²	37	75.4 Å²	75.4	17%	0.173	37%	0.374	C	S	.	.	H	α-helix	trans	-64.8	-37	178.5	-67.6	-59.9	-28.1	0	0	112.6	F374 A386 A387 S392 M393 C394	F374-Q390 HydrophobicContact CD1-CB 3.94Å; F374-Q390 HydrophobicContact CD1-CG 4.43Å; F374-Q390 HydrophobicContact CD2-CB 3.62Å; F374-Q390 HydrophobicContact CE1-CB 3.79Å; F374-Q390 HydrophobicContact CE1-CG 3.91Å; F374-Q390 HydrophobicContact CE2-CB 3.48Å; F374-Q390 VanDerWaalsContact CE2-CB 3.48Å; F374-Q390 HydrophobicContact CE2-CG 4.2Å; F374-Q390 HydrophobicContact CG-CB 3.86Å; F374-Q390 HydrophobicContact CZ-CB 3.55Å; F374-Q390 HydrophobicContact CZ-CG 3.77Å; A386-Q390 WeakPolarHBondContact O-CG 3.49Å; A386-Q390 PolarHBondContact O-N 2.96Å; A387-Q390 PolarHBondContact O-N 2.82Å; A387-Q390 VanDerWaalsContact O-N 3.16Å; Q390-S392 VanDerWaalsContact C-N 3.33Å; Q390-S392 PolarHBondContact O-N 2.95Å; Q390-M393 CarbonylContact O-C 3.41Å; Q390-M393 WeakPolarHBondContact O-CA 3.45Å; Q390-M393 WeakPolarHBondContact O-CB 3.28Å; Q390-M393 PolarHBondContact O-N 2.87Å; Q390-M393 VanDerWaalsContact O-N 3.07Å; Q390-M393 VanDerWaalsContact OE1-CE 3.23Å; Q390-C394 PolarHBondContact O-N 2.89Å; Q390-C394 PolarHBondContact O-SG 3.16Å
391	I	95.8	Very high	95.4	Very high	22 Å²	22	74.5 Å²	74.5	11%	0.113	37%	0.365	C	S	.	.	H	α-helix	trans	-57.2	-46.2	173.5	-68.3	166.7	0	0	0	111.3	K371 F374 E375 L378 A387 L389 M393 C394 Q395	K371-I391 HydrophobicContact CG-CG2 4.25Å; F374-I391 HydrophobicContact CB-CD1 4.11Å; F374-I391 HydrophobicContact CB-CG1 3.54Å; E375-I391 HydrophobicContact CG-CD1 3.8Å; E375-I391 HydrophobicContact CG-CG1 4.39Å; L378-I391 HydrophobicContact CD1-CD1 3.54Å; L378-I391 HydrophobicContact CG-CD1 4.47Å; A387-I391 WeakPolarHBondContact O-CG1 3.4Å; A387-I391 PolarHBondContact O-N 2.99Å; L389-I391 PolarHBondContact O-N 2.99Å; I391-M393 VanDerWaalsContact C-N 3.31Å; I391-M393 PolarHBondContact O-N 3.03Å; I391-C394 WeakPolarHBondContact O-CB 3.18Å; I391-C394 PolarHBondContact O-N 2.9Å; I391-Q395 WeakPolarHBondContact O-CG 3.36Å; I391-Q395 PolarHBondContact O-N 3.2Å; I391-Q395 VanDerWaalsContact O-N 3.16Å
392	S	95.2	Very high	95.3	Very high	69 Å²	69	76.4 Å²	76.4	48%	0.483	38%	0.375	S	S	.	.	H	α-helix	trans	-64.2	-37.9	176.1	-176.3	0	0	0	0	111.7	R388 L389 Q390 Q395 K396	R388-S392 PolarHBondContact O-N 2.88Å; L389-S392 PolarHBondContact O-N 2.83Å; Q390-S392 VanDerWaalsContact C-N 3.33Å; Q390-S392 PolarHBondContact O-N 2.95Å; S392-Q395 PolarHBondContact O-N 2.83Å; S392-K396 WeakPolarHBondContact O-CB 3.35Å; S392-K396 PolarHBondContact O-N 2.92Å
393	M	95.4	Very high	95.3	Very high	73 Å²	73	75.6 Å²	75.6	36%	0.36	36%	0.364	S	S	.	.	H	α-helix	trans	-63.8	-40.8	173.4	-74.9	179.5	39.6	0	0	112.9	L362 L389 Q390 I391 K396 K397	L362-M393 HydrophobicContact CD2-CE 4.18Å; L389-M393 PolarHBondContact O-N 2.92Å; Q390-M393 CarbonylContact O-C 3.41Å; Q390-M393 WeakPolarHBondContact O-CA 3.45Å; Q390-M393 WeakPolarHBondContact O-CB 3.28Å; Q390-M393 PolarHBondContact O-N 2.87Å; Q390-M393 VanDerWaalsContact O-N 3.07Å; Q390-M393 VanDerWaalsContact OE1-CE 3.23Å; I391-M393 VanDerWaalsContact C-N 3.31Å; I391-M393 PolarHBondContact O-N 3.03Å; M393-K396 PolarHBondContact O-N 2.89Å; M393-K397 WeakPolarHBondContact O-CB 3.4Å; M393-K397 PolarHBondContact O-N 2.98Å
394	C	95.8	Very high	95.3	Very high	2 Å²	2	73.4 Å²	73.4	1%	0.014	35%	0.349	C	S	.	.	H	α-helix	trans	-58.2	-49.1	175.6	-67.1	0	0	0	0	110.6	L362 K371 Q390 I391 K396 K397 A398	L362-C394 HydrophobicContact CD1-CB 4.45Å; K371-C394 HydrophobicContact CB-CB 4.13Å; Q390-C394 PolarHBondContact O-N 2.89Å; Q390-C394 PolarHBondContact O-SG 3.16Å; I391-C394 WeakPolarHBondContact O-CB 3.18Å; I391-C394 PolarHBondContact O-N 2.9Å; C394-K396 PolarHBondContact O-N 2.9Å; C394-K397 PolarHBondContact O-N 3.29Å; C394-A398 VanDerWaalsContact O-CB 3.25Å; C394-A398 WeakPolarHBondContact O-CB 3.19Å; C394-A398 PolarHBondContact O-N 2.98Å
395	Q	93.5	Very high	95.2	Very high	106 Å²	106	74.6 Å²	74.6	50%	0.495	36%	0.355	S	S	.	.	H	α-helix	trans	-60.1	-45.2	178.3	-68	172.6	-10.5	0	0	112.2	I391 S392 K399	I391-Q395 WeakPolarHBondContact O-CG 3.36Å; I391-Q395 PolarHBondContact O-N 3.2Å; I391-Q395 VanDerWaalsContact O-N 3.16Å; S392-Q395 PolarHBondContact O-N 2.83Å; Q395-K399 PolarHBondContact O-N 3.21Å; Q395-K399 VanDerWaalsContact O-N 3.13Å
396	K	96.3	Very high	95.2	Very high	132 Å²	132	74.5 Å²	74.5	57%	0.574	35%	0.35	S	S	*	.	H	α-helix	trans	-61.7	-51.7	177.8	179.5	-178.9	169.7	-177.8	0	111.3	S392 M393 C394 A398 K399 E400	S392-K396 WeakPolarHBondContact O-CB 3.35Å; S392-K396 PolarHBondContact O-N 2.92Å; M393-K396 PolarHBondContact O-N 2.89Å; C394-K396 PolarHBondContact O-N 2.9Å; K396-A398 PolarHBondContact O-N 3.19Å; K396-K399 PolarHBondContact O-N 3.24Å; K396-E400 WeakPolarHBondContact CE-OE1 3.32Å; K396-E400 IonicContact NZ-OE1 3.94Å; K396-E400 WeakPolarHBondContact O-CG 3.39Å; K396-E400 PolarHBondContact O-N 3.03Å
397	K	95.1	Very high	95.3	Very high	71 Å²	71	79.8 Å²	79.8	31%	0.309	36%	0.362	S	S	.	.	H	α-helix	trans	-64.8	-38	-178.9	-76.5	-171.7	171.7	-175.4	0	112.4	L362 F367 M393 C394 K399 E400 H401	L362-K397 HydrophobicContact CD1-CD 3.98Å; F367-K397 HydrophobicContact CD1-CB 3.95Å; F367-K397 HydrophobicContact CE1-CB 3.51Å; F367-K397 HydrophobicContact CE1-CD 4.27Å; F367-K397 HydrophobicContact CZ-CB 4.15Å; M393-K397 WeakPolarHBondContact O-CB 3.4Å; M393-K397 PolarHBondContact O-N 2.98Å; C394-K397 PolarHBondContact O-N 3.29Å; K397-K399 VanDerWaalsContact C-N 3.35Å; K397-K399 PolarHBondContact O-N 3.35Å; K397-E400 PolarHBondContact O-N 3.42Å; K397-H401 VanDerWaalsContact O-CB 3.32Å; K397-H401 WeakPolarHBondContact O-CB 3.41Å; K397-H401 PolarHBondContact O-N 2.74Å
398	A	95.3	Very high	95.2	Very high	13 Å²	13	83.6 Å²	83.6	11%	0.107	38%	0.382	C	S	.	.	H	α-helix	trans	-60.4	-44.5	174.9	0	0	0	0	0	111.6	F367 C394 K396 H401 N402	F367-A398 HydrophobicContact CB-CB 3.8Å; F367-A398 HydrophobicContact CD2-CB 3.78Å; F367-A398 HydrophobicContact CG-CB 3.8Å; C394-A398 VanDerWaalsContact O-CB 3.25Å; C394-A398 WeakPolarHBondContact O-CB 3.19Å; C394-A398 PolarHBondContact O-N 2.98Å; K396-A398 PolarHBondContact O-N 3.19Å; A398-H401 PolarHBondContact O-N 2.95Å; A398-N402 WeakPolarHBondContact O-CB 3.25Å; A398-N402 PolarHBondContact O-N 3.39Å; A398-N402 PolarHBondContact O-ND2 2.78Å
399	K	95	Very high	95.2	Very high	135 Å²	135	83.9 Å²	83.9	59%	0.587	38%	0.384	S	S	*	.	H	α-helix	trans	-62.5	-46.7	176.1	-171.6	-179.1	177.3	-176	0	111.8	Q395 K396 K397 H401 N402 E403	Q395-K399 PolarHBondContact O-N 3.21Å; Q395-K399 VanDerWaalsContact O-N 3.13Å; K396-K399 PolarHBondContact O-N 3.24Å; K397-K399 VanDerWaalsContact C-N 3.35Å; K397-K399 PolarHBondContact O-N 3.35Å; K399-H401 VanDerWaalsContact C-N 3.32Å; K399-H401 PolarHBondContact O-N 3.45Å; K399-N402 PolarHBondContact O-N 3.31Å; K399-E403 WeakPolarHBondContact CE-OE1 3.45Å; K399-E403 WeakPolarHBondContact O-CB 3.42Å; K399-E403 WeakPolarHBondContact O-CG 3.43Å; K399-E403 PolarHBondContact O-N 3.17Å
400	E	95.1	Very high	95.1	Very high	77 Å²	77	81.1 Å²	81.1	36%	0.36	38%	0.377	S	S	.	.	H	α-helix	trans	-61.2	-39.9	177.3	-72.1	173.9	-177	0	0	112.2	K396 K397 R404	K396-E400 WeakPolarHBondContact CE-OE1 3.32Å; K396-E400 IonicContact NZ-OE1 3.94Å; K396-E400 WeakPolarHBondContact O-CG 3.39Å; K396-E400 PolarHBondContact O-N 3.03Å; K397-E400 PolarHBondContact O-N 3.42Å; E400-R404 WeakPolarHBondContact O-CB 3.28Å; E400-R404 PolarHBondContact O-N 3.42Å
401	H	93.8	Very high	95.1	Very high	46 Å²	46	84.6 Å²	84.6	21%	0.213	40%	0.397	C	S	.	.	H	α-helix	trans	-63.6	-51.4	176.3	-166.2	-75.4	0	0	0	111.1	F367 K397 A398 K399 E403 R404 D405	F367-H401 HydrophobicContact CE2-CB 3.57Å; F367-H401 AromaticContact CE2-CD2 3.8Å; F367-H401 AromaticContact CE2-CG 3.68Å; F367-H401 HydrophobicContact CZ-CB 3.96Å; F367-H401 AromaticContact CZ-CD2 3.92Å; K397-H401 VanDerWaalsContact O-CB 3.32Å; K397-H401 WeakPolarHBondContact O-CB 3.41Å; K397-H401 PolarHBondContact O-N 2.74Å; A398-H401 PolarHBondContact O-N 2.95Å; K399-H401 VanDerWaalsContact C-N 3.32Å; K399-H401 PolarHBondContact O-N 3.45Å; H401-E403 VanDerWaalsContact C-N 3.3Å; H401-E403 PolarHBondContact O-N 2.92Å; H401-R404 WeakPolarHBondContact O-CA 3.42Å; H401-R404 WeakPolarHBondContact O-CB 3.4Å; H401-R404 PolarHBondContact O-N 3.43Å; H401-D405 IonicContact CE1-OD1 2.66Å; H401-D405 IonicContact CE1-OD2 3.87Å; H401-D405 PolarHBondContact CE1-OD2 3.49Å; H401-D405 IonicContact ND1-OD1 3.97Å; H401-D405 IonicContact ND1-OD2 3.02Å; H401-D405 PolarHBondContact ND1-OD2 3.43Å; H401-D405 PolarHBondContact O-N 2.91Å
402	N	93.6	Very high	95	Very high	89 Å²	89	87.1 Å²	87.1	48%	0.476	41%	0.409	S	S	.	.	H	α-helix	trans	-61.6	-35.9	178.8	-67.7	-19.5	0	0	0	112.8	A398 K399 R406	A398-N402 WeakPolarHBondContact O-CB 3.25Å; A398-N402 PolarHBondContact O-N 3.39Å; A398-N402 PolarHBondContact O-ND2 2.78Å; K399-N402 PolarHBondContact O-N 3.31Å; N402-R406 WeakPolarHBondContact O-CB 3.49Å; N402-R406 VanDerWaalsContact O-CG 3.29Å; N402-R406 WeakPolarHBondContact O-CG 3.45Å; N402-R406 PolarHBondContact O-N 3.33Å; N402-R406 PolarHBondContact O-NE 3.03Å
403	E	95.4	Very high	95	Very high	65 Å²	65	91 Å²	91	30%	0.304	42%	0.418	S	S	.	.	H	α-helix	trans	-70.2	-33.7	173.3	-75.8	175.2	-172.8	0	0	113	K399 H401 R407	K399-E403 WeakPolarHBondContact CE-OE1 3.45Å; K399-E403 WeakPolarHBondContact O-CB 3.42Å; K399-E403 WeakPolarHBondContact O-CG 3.43Å; K399-E403 PolarHBondContact O-N 3.17Å; H401-E403 VanDerWaalsContact C-N 3.3Å; H401-E403 PolarHBondContact O-N 2.92Å; E403-R407 WeakPolarHBondContact O-CG 3.21Å; E403-R407 PolarHBondContact O-N 3.05Å; E403-R407 PolarHBondContact O-NE 3.19Å
404	R	95.2	Very high	95	Very high	125 Å²	125	93.7 Å²	93.7	47%	0.472	43%	0.428	S	S	.	.	H	α-helix	trans	-69.2	-46.9	174.8	-168.8	-174.6	-59.2	138.8	3.9	110.5	E400 H401 R406 R407 I408	E400-R404 WeakPolarHBondContact O-CB 3.28Å; E400-R404 PolarHBondContact O-N 3.42Å; H401-R404 WeakPolarHBondContact O-CA 3.42Å; H401-R404 WeakPolarHBondContact O-CB 3.4Å; H401-R404 PolarHBondContact O-N 3.43Å; R404-R406 PolarHBondContact O-N 3.07Å; R404-R407 WeakPolarHBondContact O-CB 3.42Å; R404-R407 PolarHBondContact O-N 3.23Å; R404-R407 VanDerWaalsContact O-N 3.14Å; R404-I408 HydrophobicContact CG-CD1 4.02Å; R404-I408 WeakPolarHBondContact O-CG1 3.35Å; R404-I408 PolarHBondContact O-N 3.02Å
405	D	93.4	Very high	95	Very high	50 Å²	50	99.5 Å²	99.5	27%	0.267	45%	0.453	S	S	.	.	H	α-helix	trans	-62.2	-46.6	179.4	-67.4	-10	0	0	0	111.1	H401 R407 I408 Y409	H401-D405 IonicContact CE1-OD1 2.66Å; H401-D405 IonicContact CE1-OD2 3.87Å; H401-D405 PolarHBondContact CE1-OD2 3.49Å; H401-D405 IonicContact ND1-OD1 3.97Å; H401-D405 IonicContact ND1-OD2 3.02Å; H401-D405 PolarHBondContact ND1-OD2 3.43Å; H401-D405 PolarHBondContact O-N 2.91Å; D405-R407 PolarHBondContact O-N 2.95Å; D405-I408 PolarHBondContact O-N 2.96Å; D405-I408 VanDerWaalsContact O-N 3.09Å; D405-Y409 HydrophobicContact CB-CD2 4.38Å; D405-Y409 HydrophobicContact CB-CE2 4.43Å; D405-Y409 WeakPolarHBondContact O-CD2 3.45Å; D405-Y409 PolarHBondContact O-N 3.41Å
406	R	95.6	Very high	95.1	Very high	160 Å²	160	99.8 Å²	99.8	60%	0.604	45%	0.453	S	S	*	.	H	α-helix	trans	-55.4	-40.4	174.5	-78.7	-174.6	-68.4	-176.6	1.5	112.6	N402 R404 A410	N402-R406 WeakPolarHBondContact O-CB 3.49Å; N402-R406 VanDerWaalsContact O-CG 3.29Å; N402-R406 WeakPolarHBondContact O-CG 3.45Å; N402-R406 PolarHBondContact O-N 3.33Å; N402-R406 PolarHBondContact O-NE 3.03Å; R404-R406 PolarHBondContact O-N 3.07Å; R406-A410 WeakPolarHBondContact O-CB 3.09Å; R406-A410 PolarHBondContact O-N 3.26Å
407	R	96.3	Very high	95	Very high	150 Å²	150	96.3 Å²	96.3	57%	0.566	45%	0.448	S	S	*	.	H	α-helix	trans	-67.1	-44.3	175.8	-79.2	179.8	-85.2	176.1	-12.6	112	E403 R404 D405 A410 N411	E403-R407 WeakPolarHBondContact O-CG 3.21Å; E403-R407 PolarHBondContact O-N 3.05Å; E403-R407 PolarHBondContact O-NE 3.19Å; R404-R407 WeakPolarHBondContact O-CB 3.42Å; R404-R407 PolarHBondContact O-N 3.23Å; R404-R407 VanDerWaalsContact O-N 3.14Å; D405-R407 PolarHBondContact O-N 2.95Å; R407-A410 PolarHBondContact O-N 2.88Å; R407-N411 WeakPolarHBondContact O-CB 3.43Å; R407-N411 VanDerWaalsContact O-CG 3.23Å; R407-N411 PolarHBondContact O-N 2.88Å; R407-N411 PolarHBondContact O-ND2 3.18Å
408	I	95.2	Very high	94.9	Very high	80 Å²	80	97.3 Å²	97.3	41%	0.41	45%	0.454	S	S	.	.	H	α-helix	trans	-61.3	-48.5	177.1	-68.4	168.1	0	0	0	110.1	R404 D405 N411 M412	R404-I408 HydrophobicContact CG-CD1 4.02Å; R404-I408 WeakPolarHBondContact O-CG1 3.35Å; R404-I408 PolarHBondContact O-N 3.02Å; D405-I408 PolarHBondContact O-N 2.96Å; D405-I408 VanDerWaalsContact O-N 3.09Å; I408-N411 PolarHBondContact O-N 2.83Å; I408-M412 HydrophobicContact CG2-CE 3.65Å; I408-M412 HydrophobicContact CG2-CG 4.41Å; I408-M412 HydrophobicContact CG2-SD 4.37Å; I408-M412 WeakPolarHBondContact O-CG 3.47Å; I408-M412 PolarHBondContact O-N 3.22Å
409	Y	94.5	Very high	94.7	Very high	143 Å²	143	101 Å²	101	56%	0.561	47%	0.469	S	S	*	.	H	α-helix	trans	-59.1	-48.9	176.5	-81.3	-68	0	0	0	112	D405 N411 M412 F413	D405-Y409 HydrophobicContact CB-CD2 4.38Å; D405-Y409 HydrophobicContact CB-CE2 4.43Å; D405-Y409 WeakPolarHBondContact O-CD2 3.45Å; D405-Y409 PolarHBondContact O-N 3.41Å; Y409-N411 VanDerWaalsContact C-N 3.29Å; Y409-N411 PolarHBondContact O-N 2.53Å; Y409-M412 HydrophobicContact CD1-CE 3.84Å; Y409-M412 HydrophobicContact CE1-CE 4.05Å; Y409-M412 HydrophobicContact CG-CE 4.4Å; Y409-M412 PolarHBondContact O-N 3.04Å; Y409-M412 VanDerWaalsContact O-N 3.14Å; Y409-F413 VanDerWaalsContact O-CD2 3.29Å; Y409-F413 WeakPolarHBondContact O-CD2 3.45Å; Y409-F413 PolarHBondContact O-N 2.85Å
410	A	95.7	Very high	94.6	Very high	58 Å²	58	99 Å²	99	48%	0.479	47%	0.465	S	S	.	.	H	α-helix	trans	-57.6	-41.9	177.7	0	0	0	0	0	112.4	R406 R407 K414	R406-A410 WeakPolarHBondContact O-CB 3.09Å; R406-A410 PolarHBondContact O-N 3.26Å; R407-A410 PolarHBondContact O-N 2.88Å; A410-K414 WeakPolarHBondContact O-CB 3.28Å; A410-K414 PolarHBondContact O-N 2.85Å
411	N	95.8	Very high	94.3	Very high	110 Å²	110	98 Å²	98	59%	0.588	47%	0.47	S	S	*	.	H	α-helix	trans	-68.1	-38.8	176.6	-70.6	-17.6	0	0	0	112.4	R407 I408 Y409 K414 K415	R407-N411 WeakPolarHBondContact O-CB 3.43Å; R407-N411 VanDerWaalsContact O-CG 3.23Å; R407-N411 PolarHBondContact O-N 2.88Å; R407-N411 PolarHBondContact O-ND2 3.18Å; I408-N411 PolarHBondContact O-N 2.83Å; Y409-N411 VanDerWaalsContact C-N 3.29Å; Y409-N411 PolarHBondContact O-N 2.53Å; N411-K414 PolarHBondContact O-N 2.98Å; N411-K415 WeakPolarHBondContact O-CB 3.49Å; N411-K415 PolarHBondContact O-N 2.9Å
412	M	93.9	Very high	94	Very high	75 Å²	75	102.3 Å²	102.3	37%	0.369	49%	0.488	S	S	.	.	H	α-helix	trans	-64	-47.3	174.9	-73.9	-164.8	-72.7	0	0	111.5	I408 Y409 K414 K415 F416	I408-M412 HydrophobicContact CG2-CE 3.65Å; I408-M412 HydrophobicContact CG2-CG 4.41Å; I408-M412 HydrophobicContact CG2-SD 4.37Å; I408-M412 WeakPolarHBondContact O-CG 3.47Å; I408-M412 PolarHBondContact O-N 3.22Å; Y409-M412 HydrophobicContact CD1-CE 3.84Å; Y409-M412 HydrophobicContact CE1-CE 4.05Å; Y409-M412 HydrophobicContact CG-CE 4.4Å; Y409-M412 PolarHBondContact O-N 3.04Å; Y409-M412 VanDerWaalsContact O-N 3.14Å; M412-K414 VanDerWaalsContact C-N 3.32Å; M412-K414 PolarHBondContact O-N 2.94Å; M412-K415 PolarHBondContact O-N 3.07Å; M412-F416 HydrophobicContact CB-CD2 4.43Å; M412-F416 HydrophobicContact CB-CE2 4.07Å; M412-F416 WeakPolarHBondContact O-CD2 3.31Å; M412-F416 WeakPolarHBondContact O-CG 3.38Å; M412-F416 PolarHBondContact O-N 3.16Å
413	F	95.7	Very high	93.5	Very high	150 Å²	150	103.1 Å²	103.1	66%	0.658	49%	0.489	S	S	*	.	H	α-helix	trans	-57.1	-44.8	175.1	-89.9	-78.1	0	0	0	111.9	Y409 F416 A417	Y409-F413 VanDerWaalsContact O-CD2 3.29Å; Y409-F413 WeakPolarHBondContact O-CD2 3.45Å; Y409-F413 PolarHBondContact O-N 2.85Å; F413-F416 PolarHBondContact O-N 3.37Å; F413-A417 WeakPolarHBondContact O-CB 3.37Å; F413-A417 PolarHBondContact O-N 3.27Å
414	K	94.9	Very high	93	Very high	130 Å²	130	106.7 Å²	106.7	57%	0.565	51%	0.506	S	S	*	.	H	α-helix	trans	-62	-45.1	176.2	-175.9	176.7	174.8	-179.5	0	111.9	A410 N411 M412 A417 E418	A410-K414 WeakPolarHBondContact O-CB 3.28Å; A410-K414 PolarHBondContact O-N 2.85Å; N411-K414 PolarHBondContact O-N 2.98Å; M412-K414 VanDerWaalsContact C-N 3.32Å; M412-K414 PolarHBondContact O-N 2.94Å; K414-A417 PolarHBondContact O-N 3.05Å; K414-E418 WeakPolarHBondContact CE-OE1 3.37Å; K414-E418 WeakPolarHBondContact O-CB 3.45Å; K414-E418 WeakPolarHBondContact O-CG 3.44Å; K414-E418 PolarHBondContact O-N 3.46Å
415	K	95.8	Very high	92.3	Very high	124 Å²	124	103.3 Å²	103.3	54%	0.539	50%	0.504	S	S	.	.	H	α-helix	trans	-63	-43.9	179.7	-174.7	-177.9	177.3	-174.5	0	112	N411 M412 E418 Q419	N411-K415 WeakPolarHBondContact O-CB 3.49Å; N411-K415 PolarHBondContact O-N 2.9Å; M412-K415 PolarHBondContact O-N 3.07Å; K415-E418 PolarHBondContact O-N 2.95Å; K415-Q419 WeakPolarHBondContact O-CG 3.42Å; K415-Q419 PolarHBondContact O-N 3.17Å
416	F	94.8	Very high	91.5	Very high	113 Å²	113	106.3 Å²	106.3	50%	0.496	52%	0.52	S	S	.	.	H	α-helix	trans	-66.9	-42.9	177.8	-64.3	-43.8	0	0	0	111.5	M412 F413 E418 Q419 D420	M412-F416 HydrophobicContact CB-CD2 4.43Å; M412-F416 HydrophobicContact CB-CE2 4.07Å; M412-F416 WeakPolarHBondContact O-CD2 3.31Å; M412-F416 WeakPolarHBondContact O-CG 3.38Å; M412-F416 PolarHBondContact O-N 3.16Å; F413-F416 PolarHBondContact O-N 3.37Å; F416-E418 VanDerWaalsContact C-N 3.31Å; F416-E418 PolarHBondContact O-N 3.19Å; F416-Q419 WeakPolarHBondContact O-CB 3.46Å; F416-Q419 PolarHBondContact O-N 2.79Å; F416-D420 PolarHBondContact O-N 3Å
417	A	94.3	Very high	90.5	Very high	59 Å²	59	105.5 Å²	105.5	49%	0.488	52%	0.521	S	S	.	.	H	α-helix	trans	-60.2	-39.1	174.2	0	0	0	0	0	112.9	F413 K414 A421	F413-A417 WeakPolarHBondContact O-CB 3.37Å; F413-A417 PolarHBondContact O-N 3.27Å; K414-A417 PolarHBondContact O-N 3.05Å; A417-A421 VanDerWaalsContact O-CB 3.31Å; A417-A421 WeakPolarHBondContact O-CB 3.47Å; A417-A421 PolarHBondContact O-N 3.47Å
418	E	93.1	Very high	89.3	Confident	92 Å²	92	101 Å²	101	43%	0.43	52%	0.516	S	S	.	.	H	α-helix	trans	-67.6	-32.8	174.3	-75	175	-169.6	0	0	113	K414 K415 F416 K422	K414-E418 WeakPolarHBondContact CE-OE1 3.37Å; K414-E418 WeakPolarHBondContact O-CB 3.45Å; K414-E418 WeakPolarHBondContact O-CG 3.44Å; K414-E418 PolarHBondContact O-N 3.46Å; K415-E418 PolarHBondContact O-N 2.95Å; F416-E418 VanDerWaalsContact C-N 3.31Å; F416-E418 PolarHBondContact O-N 3.19Å; E418-K422 WeakPolarHBondContact O-CB 3.33Å; E418-K422 VanDerWaalsContact O-CG 3.26Å; E418-K422 WeakPolarHBondContact O-CG 3.2Å; E418-K422 PolarHBondContact O-N 3.4Å; E418-K422 VanDerWaalsContact O-N 3.15Å
419	Q	91.6	Very high	87.7	Confident	89 Å²	89	103.7 Å²	103.7	42%	0.416	53%	0.529	S	S	.	.	H	α-helix	trans	-70.8	-46.8	174.6	-76.7	-179.9	-42.5	0	0	111.2	K415 F416 A421 K422 E423	K415-Q419 WeakPolarHBondContact O-CG 3.42Å; K415-Q419 PolarHBondContact O-N 3.17Å; F416-Q419 WeakPolarHBondContact O-CB 3.46Å; F416-Q419 PolarHBondContact O-N 2.79Å; Q419-A421 VanDerWaalsContact C-N 3.33Å; Q419-A421 PolarHBondContact O-N 3.2Å; Q419-K422 CarbonylContact O-C 3.52Å; Q419-K422 WeakPolarHBondContact O-CB 3.42Å; Q419-K422 PolarHBondContact O-N 3.34Å; Q419-K422 VanDerWaalsContact O-N 3.09Å; Q419-E423 PolarHBondContact O-N 2.91Å
420	D	92.3	Very high	85.9	Confident	94 Å²	94	98.8 Å²	98.8	50%	0.503	52%	0.522	S	S	.	.	H	α-helix	trans	-59.2	-45.8	177.1	-66.9	-18.8	0	0	0	110.6	F416 K422 E423 E424	F416-D420 PolarHBondContact O-N 3Å; D420-K422 VanDerWaalsContact C-N 3.31Å; D420-K422 PolarHBondContact O-N 2.82Å; D420-E423 PolarHBondContact O-N 3.01Å; D420-E424 WeakPolarHBondContact O-CB 3.38Å; D420-E424 WeakPolarHBondContact O-CG 3.49Å; D420-E424 PolarHBondContact O-N 3.33Å
421	A	89.7	Confident	84	Confident	57 Å²	57	103 Å²	103	47%	0.471	53%	0.529	S	S	.	.	H	α-helix	trans	-61.2	-37.4	176	0	0	0	0	0	112.7	A417 Q419 A425	A417-A421 VanDerWaalsContact O-CB 3.31Å; A417-A421 WeakPolarHBondContact O-CB 3.47Å; A417-A421 PolarHBondContact O-N 3.47Å; Q419-A421 VanDerWaalsContact C-N 3.33Å; Q419-A421 PolarHBondContact O-N 3.2Å; A421-A425 VanDerWaalsContact O-CB 3.28Å; A421-A425 WeakPolarHBondContact O-CB 3.43Å; A421-A425 PolarHBondContact O-N 2.91Å
422	K	87	Confident	82	Confident	136 Å²	136	105.7 Å²	105.7	59%	0.591	54%	0.536	S	S	*	.	H	α-helix	trans	-70.6	-38.7	175.1	-78.4	172.6	-176.9	172.3	0	112.2	E418 Q419 D420 A425 N426	E418-K422 WeakPolarHBondContact O-CB 3.33Å; E418-K422 VanDerWaalsContact O-CG 3.26Å; E418-K422 WeakPolarHBondContact O-CG 3.2Å; E418-K422 PolarHBondContact O-N 3.4Å; E418-K422 VanDerWaalsContact O-N 3.15Å; Q419-K422 CarbonylContact O-C 3.52Å; Q419-K422 WeakPolarHBondContact O-CB 3.42Å; Q419-K422 PolarHBondContact O-N 3.34Å; Q419-K422 VanDerWaalsContact O-N 3.09Å; D420-K422 VanDerWaalsContact C-N 3.31Å; D420-K422 PolarHBondContact O-N 2.82Å; K422-A425 PolarHBondContact O-N 2.92Å; K422-N426 WeakPolarHBondContact O-CB 3.48Å; K422-N426 VanDerWaalsContact O-CG 3.22Å; K422-N426 PolarHBondContact O-N 2.66Å; K422-N426 PolarHBondContact O-ND2 3.13Å
423	E	84.3	Confident	79.7	Confident	106 Å²	106	107.2 Å²	107.2	50%	0.495	55%	0.549	S	S	.	.	H	α-helix	trans	-67.2	-42	175.7	-76	-168.5	-171.9	0	0	112	Q419 D420 N426 K427	Q419-E423 PolarHBondContact O-N 2.91Å; D420-E423 PolarHBondContact O-N 3.01Å; E423-N426 PolarHBondContact O-N 2.97Å; E423-K427 WeakPolarHBondContact O-CB 3.37Å; E423-K427 WeakPolarHBondContact O-CG 3.38Å; E423-K427 PolarHBondContact O-N 2.91Å
424	E	83.4	Confident	77.4	Confident	139 Å²	139	103.8 Å²	103.8	65%	0.65	54%	0.544	S	S	*	.	H	α-helix	trans	-62.3	-44.3	173.4	-74.6	-171.4	167.4	0	0	111.4	D420 N426 K427 A428	D420-E424 WeakPolarHBondContact O-CB 3.38Å; D420-E424 WeakPolarHBondContact O-CG 3.49Å; D420-E424 PolarHBondContact O-N 3.33Å; E424-N426 VanDerWaalsContact C-N 3.35Å; E424-N426 PolarHBondContact O-N 3.5Å; E424-K427 PolarHBondContact O-N 2.86Å; E424-A428 WeakPolarHBondContact O-CB 3.23Å; E424-A428 PolarHBondContact O-N 3.1Å
425	A	80.1	Confident	75	Confident	54 Å²	54	105 Å²	105	45%	0.446	55%	0.552	S	S	.	*	H	α-helix	trans	-60.4	-43.3	174.6	0	0	0	0	0	111.9	A421 K422 A428 M429	A421-A425 VanDerWaalsContact O-CB 3.28Å; A421-A425 WeakPolarHBondContact O-CB 3.43Å; A421-A425 PolarHBondContact O-N 2.91Å; K422-A425 PolarHBondContact O-N 2.92Å; A425-A428 PolarHBondContact O-N 2.6Å; A425-M429 PolarHBondContact O-N 3.48Å
426	N	77	Confident	72.4	Confident	113 Å²	113	102.1 Å²	102.1	60%	0.604	56%	0.557	S	S	*	*	H	α-helix	trans	-66.9	-39.8	177	-75.7	-17.9	0	0	0	112.5	K422 E423 E424 M429 G430	K422-N426 WeakPolarHBondContact O-CB 3.48Å; K422-N426 VanDerWaalsContact O-CG 3.22Å; K422-N426 PolarHBondContact O-N 2.66Å; K422-N426 PolarHBondContact O-ND2 3.13Å; E423-N426 PolarHBondContact O-N 2.97Å; E424-N426 VanDerWaalsContact C-N 3.35Å; E424-N426 PolarHBondContact O-N 3.5Å; N426-M429 PolarHBondContact O-N 3.45Å; N426-G430 PolarHBondContact O-N 2.84Å
427	K	75.1	Confident	69.9	Low	143 Å²	143	102.4 Å²	102.4	62%	0.622	57%	0.568	S	S	*	*	H	α-helix	trans	-64.6	-39.8	173.7	-77.2	171.3	-177.9	162.4	0	111.6	E423 E424 G430 K431	E423-K427 WeakPolarHBondContact O-CB 3.37Å; E423-K427 WeakPolarHBondContact O-CG 3.38Å; E423-K427 PolarHBondContact O-N 2.91Å; E424-K427 PolarHBondContact O-N 2.86Å; K427-G430 PolarHBondContact O-N 3.34Å; K427-K431 PolarHBondContact O-N 3.3Å
428	A	70.4	Confident	67.2	Low	55 Å²	55	105.8 Å²	105.8	46%	0.455	58%	0.583	S	S	.	*	H	α-helix	trans	-67.1	-36.7	175.5	0	0	0	0	0	112.2	E424 A425 K432	E424-A428 WeakPolarHBondContact O-CB 3.23Å; E424-A428 PolarHBondContact O-N 3.1Å; A425-A428 PolarHBondContact O-N 2.6Å; A428-K432 PolarHBondContact O-N 3.02Å
429	M	61.7	Low	64.3	Low	138 Å²	138	109.2 Å²	109.2	68%	0.68	60%	0.604	S	S	*	*	H	α-helix	trans	-69.3	-39.7	173.5	-114.7	161.4	90.5	0	0	112.3	A425 N426 K432 T433	A425-M429 PolarHBondContact O-N 3.48Å; N426-M429 PolarHBondContact O-N 3.45Å; M429-K432 PolarHBondContact O-N 3.11Å; M429-T433 PolarHBondContact O-N 2.92Å; M429-T433 PolarHBondContact O-OG1 3.01Å
430	G	57.6	Low	61.5	Low	40 Å²	40	112.4 Å²	112.4	41%	0.412	62%	0.619	S	S	.	*	H	α-helix	trans	-63.6	-37.4	174.7	0	0	0	0	0	113.7	N426 K427 T433 S434	N426-G430 PolarHBondContact O-N 2.84Å; K427-G430 PolarHBondContact O-N 3.34Å; G430-T433 WeakPolarHBondContact CA-OG1 3.14Å; G430-T433 PolarHBondContact O-N 3.28Å; G430-T433 PolarHBondContact O-OG1 3.37Å; G430-S434 PolarHBondContact O-N 2.84Å
431	K	56.2	Low	58.7	Low	146 Å²	146	116.8 Å²	116.8	64%	0.635	63%	0.633	S	S	*	*	H	α-helix	trans	-68.1	-38.3	172.9	-91.9	-173.9	172.6	-175.5	0	113.2	K427 T433 S434 E435	K427-K431 PolarHBondContact O-N 3.3Å; K431-T433 VanDerWaalsContact C-N 3.26Å; K431-T433 PolarHBondContact O-N 3.33Å; K431-S434 PolarHBondContact O-N 3.17Å; K431-S434 VanDerWaalsContact O-N 3.16Å; K431-S434 PolarHBondContact O-OG 3.18Å; K431-E435 PolarHBondContact O-N 3.4Å
432	K	52.2	Low	56	Low	167 Å²	167	117.2 Å²	117.2	73%	0.726	64%	0.643	S	S	*	*	H	α-helix	trans	-64.8	-28.9	175.8	-80.3	-175.3	176.8	-178.6	0	113.1	A428 M429	A428-K432 PolarHBondContact O-N 3.02Å; M429-K432 PolarHBondContact O-N 3.11Å
433	T	47.5	Very low	53.4	Low	106 Å²	106	117 Å²	117	65%	0.65	65%	0.654	S	S	*	*	H	α-helix	trans	-76.7	-25.3	173.1	37.7	0	0	0	0	113.9	M429 G430 K431	M429-T433 PolarHBondContact O-N 2.92Å; M429-T433 PolarHBondContact O-OG1 3.01Å; G430-T433 WeakPolarHBondContact CA-OG1 3.14Å; G430-T433 PolarHBondContact O-N 3.28Å; G430-T433 PolarHBondContact O-OG1 3.37Å; K431-T433 VanDerWaalsContact C-N 3.26Å; K431-T433 PolarHBondContact O-N 3.33Å
434	S	45.9	Very low	50.9	Low	78 Å²	78	119.7 Å²	119.7	55%	0.545	67%	0.672	S	S	.	*	H	α-helix	trans	-84.8	-27.3	175.4	61	0	0	0	0	113.8	G430 K431 G436	G430-S434 PolarHBondContact O-N 2.84Å; K431-S434 PolarHBondContact O-N 3.17Å; K431-S434 VanDerWaalsContact O-N 3.16Å; K431-S434 PolarHBondContact O-OG 3.18Å; S434-G436 VanDerWaalsContact C-N 3.27Å; S434-G436 PolarHBondContact O-N 3.47Å
435	E	45.4	Very low	48.4	Very low	156 Å²	156	118.3 Å²	118.3	73%	0.729	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.7	-7.9	176.6	-74.2	177.4	173.7	0	0	113.6	K431	K431-E435 PolarHBondContact O-N 3.4Å
436	G	40.9	Very low	47	Very low	64 Å²	64	121.5 Å²	121.5	66%	0.66	69%	0.693	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.6	-3.4	177.8	0	0	0	0	0	115.8	S434	S434-G436 VanDerWaalsContact C-N 3.27Å; S434-G436 PolarHBondContact O-N 3.47Å
437	V	41.9	Very low	44.8	Very low	119 Å²	119	120.4 Å²	120.4	72%	0.721	70%	0.7	S	S	*	*	S	Bend	trans	-135.4	72.2	-178.6	-170.4	0	0	0	0	110.5
438	T	38.1	Very low	42.7	Very low	130 Å²	130	118 Å²	118	80%	0.798	71%	0.706	S	S	*	*			trans	-171.2	93.6	143.1	40.1	0	0	0	0	108.4
439	N	32.4	Very low	40.9	Very low	164 Å²	164	124.1 Å²	124.1	88%	0.877	73%	0.726	S	S	*	*			trans	-151.4	94.7	151.9	-130.1	-0.7	0	0	0	108.3
440	E	32.8	Very low	39.6	Very low	156 Å²	156	126.1 Å²	126.1	73%	0.729	73%	0.733	S	S	*	*			trans	-164.9	118	140.8	-106.3	-163.8	-154.5	0	0	111.6
441	K	33.8	Very low	38.5	Very low	185 Å²	185	131.5 Å²	131.5	80%	0.804	75%	0.748	S	S	*	*			trans	71.3	133	152.8	-60	170.8	178.2	136.6	0	118.3
442	G	31.6	Very low	37.5	Very low	66 Å²	66	132.8 Å²	132.8	68%	0.68	75%	0.754	S	S	*	*			cis	-177.8	154.4	1.1	0	0	0	0	0	111
443	T	33.3	Very low	36.9	Very low	133 Å²	133	129.3 Å²	129.3	82%	0.816	76%	0.756	S	S	*	*			trans	32.5	113.8	150.3	55	0	0	0	0	120.5
444	D	32	Very low	36.5	Very low	162 Å²	162	133.4 Å²	133.4	87%	0.866	77%	0.767	S	S	*	*				-173.6	149	95.2	-108	-20.6	0	0	0	111.3
445	S	30.6	Very low	36.2	Very low	110 Å²	110	132.5 Å²	132.5	77%	0.769	77%	0.771	S	S	*	*			trans	-111.3	180	171.6	-53.9	0	0	0	0	108.9
446	P	51.3	Low	35.9	Very low	120 Å²	120	134.2 Å²	134.2	78%	0.779	78%	0.778	S	S	*	*			cis	-141.3	180	0.2	34.4	-12.2	0	0	0	116.2
447	A	30	Very low	36.1	Very low	91 Å²	91	141.1 Å²	141.1	75%	0.752	81%	0.808	S	S	*	*			trans	107.6	128.5	134.6	0	0	0	0	0	119.8
448	A	32	Very low	35.8	Very low	91 Å²	91	142.3 Å²	142.3	75%	0.752	81%	0.812	S	S	*	*			trans	66.5	142.6	156	0	0	0	0	0	117.1
449	E	32.8	Very low	35.6	Very low	185 Å²	185	142.9 Å²	142.9	86%	0.864	81%	0.813	S	S	*	*			cis	-163.3	168.1	31.1	-134.4	157.8	-148.4	0	0	110.3
450	E	33.3	Very low	35.8	Very low	179 Å²	179	141.7 Å²	141.7	84%	0.836	81%	0.809	S	S	*	*			trans	-59.4	148.8	175.7	-60.2	166.9	130.3	0	0	114.2
451	E	34.6	Very low	36	Very low	153 Å²	153	140.9 Å²	140.9	72%	0.715	81%	0.814	S	S	*	*				175.7	129.7	114.2	-102.3	-164.6	138.2	0	0	114.6
452	K	36.2	Very low	36.1	Very low	174 Å²	174	138.1 Å²	138.1	76%	0.757	81%	0.814	S	S	*	*			trans	57.1	131.8	135.3	-73.6	178.3	-175.4	149.3	0	124
453	A	39.1	Very low	36.4	Very low	93 Å²	93	142.9 Å²	142.9	77%	0.769	82%	0.823	S	S	*	*			trans	-66.5	148.5	155.6	0	0	0	0	0	113.3
454	E	39.1	Very low	36.7	Very low	192 Å²	192	143.6 Å²	143.6	90%	0.897	82%	0.824	S	S	*	*			trans	-175.4	123.2	144.3	-100.1	167.8	-161.5	0	0	103.4
455	G	38.3	Very low	37	Very low	60 Å²	60	142.2 Å²	142.2	62%	0.619	82%	0.82	S	S	*	*			cis	80.4	87.1	38.6	0	0	0	0	0	109.1
456	H	39.4	Very low	37.6	Very low	191 Å²	191	144.9 Å²	144.9	88%	0.884	83%	0.825	S	S	*	*			trans	-178.5	130.9	139.9	-96.5	7.4	0	0	0	115
457	V	44.7	Very low	36.3	Very low	210 Å²	210	147.2 Å²	147.2	100%	1.273	83%	0.829	S	S	*	*			trans	67.9	0	148.2	-169.9	0	0	0	0	119.2

Retrieved 457 of 457 residues in 169.1 ms (Link to these results)

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