A0A096N3E1_PAPAN Loading...

Tyrosine--tRNA ligase

Tyrosine--tRNA ligase that catalyzes the attachment of tyrosine to tRNA(Tyr) in a two-step reaction: tyrosine is first activated by ATP to form Tyr-AMP and then transferred to the acceptor end of tRNA(Tyr). Also acts as a positive regulator of poly-ADP-ribosylation in the nucleus, independently of its tyrosine--tRNA ligase activity. Activity is switched upon resveratrol-binding: resveratrol strongly inhibits the tyrosine--tRNA ligase activity and promotes relocalization to the nucleus, where YARS1 specifically stimulates the poly-ADP-ribosyltransferase activity of PARP1.

AlphaFold DB , UniProt , Accession A0A096N3E1, Species PAPAN (Papio anubis, Olive baboon), Gene YARS1, Length 528 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.6	Very low	79.6	Confident	244 Å²	244	90.5 Å²	90.5	100%	1.202	53%	0.531	S	S	*	.				0	103.4	0	-77	167.6	171.3	0	0	105.1
2	G	48.7	Very low	81	Confident	78 Å²	78	92.4 Å²	92.4	80%	0.804	53%	0.531	S	S	*	.	P	Polyproline II helix	trans	-80	136.3	175.9	0	0	0	0	0	108.5
3	D	60.3	Low	82	Confident	163 Å²	163	87.8 Å²	87.8	87%	0.872	50%	0.503	S	S	*	.	P	Polyproline II helix	trans	-54.5	146.3	177.3	-71.8	-42.3	0	0	0	111.1
4	A	74	Confident	83.1	Confident	88 Å²	88	81.6 Å²	81.6	73%	0.727	47%	0.467	S	S	*	.	P	Polyproline II helix	trans	-63.6	137.4	175.9	0	0	0	0	0	109.7
5	P	86.9	Confident	84.1	Confident	42 Å²	42	78.7 Å²	78.7	27%	0.273	45%	0.452	S	S	.	.	P	Polyproline II helix	trans	-63.6	141.2	-173.6	23.8	-32.3	0	0	0	111.7	E9 K10	P5-E9 VanDerWaalsContact CA-OE2 3.24Å; P5-E9 WeakPolarHBondContact CA-OE2 3.35Å; P5-E9 HydrophobicContact CB-CB 4.03Å; P5-K10 HydrophobicContact CB-CG 4.04Å; P5-K10 HydrophobicContact CG-CG 3.9Å; P5-K10 VanDerWaalsContact O-CE 3.31Å; P5-K10 WeakPolarHBondContact O-CE 3.31Å
6	S	93.9	Very high	84.7	Confident	40 Å²	40	76.7 Å²	76.7	28%	0.28	44%	0.435	S	S	.	.	P	Polyproline II helix	trans	-64.1	160.5	176.5	95.9	0	0	0	0	111.4	E8 E9 K10	S6-E8 WeakPolarHBondContact CB-OE2 3.48Å; S6-E8 PolarHBondContact O-N 2.83Å; S6-E8 PolarHBondContact OG-N 3.23Å; S6-E8 PolarHBondContact OG-OE2 3.23Å; S6-E9 PolarHBondContact N-OE2 3.38Å; S6-E9 PolarHBondContact O-N 3.34Å; S6-E9 VanDerWaalsContact O-N 3.11Å; S6-E9 PolarHBondContact OG-N 2.73Å; S6-K10 WeakPolarHBondContact O-CG 3.24Å; S6-K10 PolarHBondContact O-N 3.03Å
7	P	94.1	Very high	85.1	Confident	48 Å²	48	75.5 Å²	75.5	31%	0.312	43%	0.427	S	S	.	.	H	α-helix	trans	-53.5	-36	174.1	-27.2	36.4	0	0	0	113.6	L11 L31	P7-L11 WeakPolarHBondContact O-CB 3.37Å; P7-L11 PolarHBondContact O-N 2.82Å; P7-L31 HydrophobicContact CB-CB 4.45Å
8	E	94.3	Very high	85.6	Confident	130 Å²	130	72.8 Å²	72.8	61%	0.607	41%	0.411	S	S	*	.	H	α-helix	trans	-70	-42.5	177	-60	71.7	-154	0	0	111.9	S6 L11 H12	S6-E8 WeakPolarHBondContact CB-OE2 3.48Å; S6-E8 PolarHBondContact O-N 2.83Å; S6-E8 PolarHBondContact OG-N 3.23Å; S6-E8 PolarHBondContact OG-OE2 3.23Å; E8-L11 PolarHBondContact O-N 2.67Å; E8-H12 PolarHBondContact O-N 2.93Å
9	E	94.6	Very high	86.1	Confident	111 Å²	111	75.1 Å²	75.1	52%	0.519	42%	0.418	S	S	.	.	H	α-helix	trans	-65	-41.6	175.8	-67.1	176.7	144.7	0	0	111.3	P5 S6 H12 L13	P5-E9 VanDerWaalsContact CA-OE2 3.24Å; P5-E9 WeakPolarHBondContact CA-OE2 3.35Å; P5-E9 HydrophobicContact CB-CB 4.03Å; S6-E9 PolarHBondContact N-OE2 3.38Å; S6-E9 PolarHBondContact O-N 3.34Å; S6-E9 VanDerWaalsContact O-N 3.11Å; S6-E9 PolarHBondContact OG-N 2.73Å; E9-H12 PolarHBondContact O-N 2.97Å; E9-L13 WeakPolarHBondContact O-CG 3.03Å; E9-L13 PolarHBondContact O-N 3.48Å
10	K	96.3	Very high	86.7	Confident	21 Å²	21	73.9 Å²	73.9	9%	0.091	41%	0.409	C	S	.	.	H	α-helix	trans	-59.9	-48.7	172.7	-69.7	-177.1	179	-170.2	0	111	P5 S6 H12 L13 I14 L31 E35 A65	P5-K10 HydrophobicContact CB-CG 4.04Å; P5-K10 HydrophobicContact CG-CG 3.9Å; P5-K10 VanDerWaalsContact O-CE 3.31Å; P5-K10 WeakPolarHBondContact O-CE 3.31Å; S6-K10 WeakPolarHBondContact O-CG 3.24Å; S6-K10 PolarHBondContact O-N 3.03Å; K10-H12 VanDerWaalsContact C-N 3.29Å; K10-H12 PolarHBondContact O-N 3.11Å; K10-L13 PolarHBondContact O-N 3.17Å; K10-I14 HydrophobicContact CB-CD1 4.47Å; K10-I14 WeakPolarHBondContact O-CB 3.33Å; K10-I14 WeakPolarHBondContact O-CD1 3.47Å; K10-I14 WeakPolarHBondContact O-CG1 3.28Å; K10-I14 PolarHBondContact O-N 3.27Å; K10-L31 HydrophobicContact CB-CD2 4.26Å; K10-L31 HydrophobicContact CD-CD2 4.42Å; K10-E35 IonicContact NZ-OE1 2.74Å; K10-E35 PolarHBondContact NZ-OE1 3.39Å; K10-E35 IonicContact NZ-OE2 2.82Å; K10-E35 PolarHBondContact NZ-OE2 3.29Å; K10-A65 HydrophobicContact CB-CB 4.35Å; K10-A65 WeakPolarHBondContact CD-O 3.34Å; K10-A65 VanDerWaalsContact CE-O 3.27Å; K10-A65 WeakPolarHBondContact CE-O 3.27Å; K10-A65 HydrophobicContact CG-CB 4.36Å; K10-A65 WeakPolarHBondContact CG-O 3.46Å
11	L	97.1	Very high	87.2	Confident	30 Å²	30	72.2 Å²	72.2	16%	0.157	40%	0.401	C	S	.	.	H	α-helix	trans	-58.9	-42.1	178.3	-179.2	65.6	0	0	0	111.5	P7 E8 I14 T15 L27 K28 L31	P7-L11 WeakPolarHBondContact O-CB 3.37Å; P7-L11 PolarHBondContact O-N 2.82Å; E8-L11 PolarHBondContact O-N 2.67Å; L11-I14 PolarHBondContact O-N 3.5Å; L11-T15 HydrophobicContact CD1-CG2 3.83Å; L11-T15 WeakPolarHBondContact O-CB 3.42Å; L11-T15 WeakPolarHBondContact O-CG2 3.4Å; L11-T15 PolarHBondContact O-N 2.87Å; L11-T15 PolarHBondContact O-OG1 3.44Å; L11-L27 HydrophobicContact CD1-CD2 3.58Å; L11-L27 HydrophobicContact CD1-CG 3.96Å; L11-K28 HydrophobicContact CD2-CD 4.46Å; L11-K28 HydrophobicContact CD2-CG 4.04Å; L11-L31 HydrophobicContact CB-CD1 3.89Å; L11-L31 HydrophobicContact CD1-CD1 4.05Å
12	H	95.9	Very high	90.2	Very high	114 Å²	114	62.1 Å²	62.1	53%	0.528	35%	0.352	S	S	.	.	H	α-helix	trans	-62.7	-48.3	176.4	177.9	71.8	0	0	0	111.9	E8 E9 K10 I14 T15 R16	E8-H12 PolarHBondContact O-N 2.93Å; E9-H12 PolarHBondContact O-N 2.97Å; K10-H12 VanDerWaalsContact C-N 3.29Å; K10-H12 PolarHBondContact O-N 3.11Å; H12-I14 VanDerWaalsContact C-N 3.34Å; H12-I14 PolarHBondContact O-N 2.92Å; H12-T15 PolarHBondContact O-N 3.19Å; H12-R16 VanDerWaalsContact O-CB 3.23Å; H12-R16 WeakPolarHBondContact O-CB 3.39Å; H12-R16 WeakPolarHBondContact O-CG 3.49Å; H12-R16 PolarHBondContact O-N 2.98Å
13	L	94.8	Very high	92.5	Very high	33 Å²	33	60.2 Å²	60.2	17%	0.173	33%	0.331	C	S	.	.	H	α-helix	trans	-60.6	-43.5	176.7	-73.7	174.4	0	0	0	111.8	E9 K10 K58 D61 K64 A65	E9-L13 WeakPolarHBondContact O-CG 3.03Å; E9-L13 PolarHBondContact O-N 3.48Å; K10-L13 PolarHBondContact O-N 3.17Å; L13-K58 PolarHBondContact O-NZ 3.12Å; L13-D61 WeakPolarHBondContact O-CB 3.31Å; L13-K64 HydrophobicContact CD1-CB 4.47Å; L13-A65 HydrophobicContact CB-CB 4.1Å; L13-A65 HydrophobicContact CD1-CB 4.25Å
14	I	97.1	Very high	94.1	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-63	-46.4	179.7	-69.1	162.9	0	0	0	110.2	K10 L11 H12 L27 L31 L36 K58 F62 A65 L210	K10-I14 HydrophobicContact CB-CD1 4.47Å; K10-I14 WeakPolarHBondContact O-CB 3.33Å; K10-I14 WeakPolarHBondContact O-CD1 3.47Å; K10-I14 WeakPolarHBondContact O-CG1 3.28Å; K10-I14 PolarHBondContact O-N 3.27Å; L11-I14 PolarHBondContact O-N 3.5Å; H12-I14 VanDerWaalsContact C-N 3.34Å; H12-I14 PolarHBondContact O-N 2.92Å; I14-L27 HydrophobicContact CG2-CD2 4.27Å; I14-L31 HydrophobicContact CD1-CD1 4.02Å; I14-L31 HydrophobicContact CD1-CD2 3.78Å; I14-L36 HydrophobicContact CD1-CD2 4.24Å; I14-K58 WeakPolarHBondContact O-CE 3.25Å; I14-K58 PolarHBondContact O-NZ 3.5Å; I14-F62 HydrophobicContact CB-CD1 4.39Å; I14-F62 HydrophobicContact CB-CE1 4.39Å; I14-F62 HydrophobicContact CG1-CD1 4.15Å; I14-F62 HydrophobicContact CG2-CD1 4.28Å; I14-F62 HydrophobicContact CG2-CE1 3.96Å; I14-A65 HydrophobicContact CD1-CB 4.33Å; I14-A65 HydrophobicContact CG1-CB 3.99Å; I14-L210 HydrophobicContact CG2-CD1 3.49Å; I14-L210 VanDerWaalsContact CG2-CD1 3.49Å
15	T	97.3	Very high	95.1	Very high	38 Å²	38	58.4 Å²	58.4	23%	0.233	31%	0.307	C	S	.	.	H	α-helix	trans	-96.1	-15.5	-168.6	61.4	0	0	0	0	115.5	L11 H12 N17 L18 V21 L27	L11-T15 HydrophobicContact CD1-CG2 3.83Å; L11-T15 WeakPolarHBondContact O-CB 3.42Å; L11-T15 WeakPolarHBondContact O-CG2 3.4Å; L11-T15 PolarHBondContact O-N 2.87Å; L11-T15 PolarHBondContact O-OG1 3.44Å; H12-T15 PolarHBondContact O-N 3.19Å; T15-N17 PolarHBondContact O-N 2.89Å; T15-L18 WeakPolarHBondContact O-CB 3.42Å; T15-L18 WeakPolarHBondContact O-CG 3.47Å; T15-L18 PolarHBondContact O-N 2.74Å; T15-V21 HydrophobicContact CG2-CG2 3.98Å; T15-L27 HydrophobicContact CG2-CD2 4.07Å
16	R	93.9	Very high	95.5	Very high	47 Å²	47	61.3 Å²	61.3	18%	0.177	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	141.2	177.8	70.3	-174.4	-170.8	163.8	4.9	111.6	H12 L18 K58 D61 P270	H12-R16 VanDerWaalsContact O-CB 3.23Å; H12-R16 WeakPolarHBondContact O-CB 3.39Å; H12-R16 WeakPolarHBondContact O-CG 3.49Å; H12-R16 PolarHBondContact O-N 2.98Å; R16-L18 PolarHBondContact O-N 2.79Å; R16-L18 VanDerWaalsContact O-N 3.12Å; R16-K58 PolarHBondContact O-NZ 3.31Å; R16-D61 IonicContact CZ-OD1 2.88Å; R16-D61 IonicContact CZ-OD2 2.7Å; R16-D61 IonicContact NE-OD1 3.7Å; R16-D61 PolarHBondContact NE-OD1 2.85Å; R16-D61 IonicContact NE-OD2 2.72Å; R16-D61 PolarHBondContact NE-OD2 2.71Å; R16-D61 IonicContact NH2-OD1 2.9Å; R16-D61 PolarHBondContact NH2-OD1 3.26Å; R16-D61 IonicContact NH2-OD2 3.41Å; R16-P270 PolarHBondContact NH2-O 3.48Å
17	N	91.3	Very high	95.7	Very high	57 Å²	57	59.4 Å²	59.4	31%	0.305	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.2	4.8	-179.4	-60.7	-34.1	0	0	0	116.3	T15 P213	T15-N17 PolarHBondContact O-N 2.89Å; N17-P213 WeakPolarHBondContact O-CD 3.39Å
18	L	95.3	Very high	95.8	Very high	27 Å²	27	60.9 Å²	60.9	14%	0.141	30%	0.304	C	S	.	.			trans	-73	149.9	168	-60.7	-175.5	0	0	0	110	T15 R16 V21 K58 F183 L210 N212	T15-L18 WeakPolarHBondContact O-CB 3.42Å; T15-L18 WeakPolarHBondContact O-CG 3.47Å; T15-L18 PolarHBondContact O-N 2.74Å; R16-L18 PolarHBondContact O-N 2.79Å; R16-L18 VanDerWaalsContact O-N 3.12Å; L18-V21 HydrophobicContact CB-CG2 4.45Å; L18-V21 HydrophobicContact CD1-CG2 3.75Å; L18-K58 HydrophobicContact CD2-CD 4.22Å; L18-K58 HydrophobicContact CD2-CG 4.35Å; L18-F183 HydrophobicContact CD2-CD2 4.33Å; L18-F183 HydrophobicContact CD2-CE2 3.94Å; L18-L210 HydrophobicContact CD1-CB 3.69Å; L18-L210 HydrophobicContact CD1-CD1 4.27Å; L18-L210 HydrophobicContact CD1-CD2 3.78Å; L18-L210 HydrophobicContact CD1-CG 4.12Å; L18-N212 VanDerWaalsContact CD2-OD1 3.24Å; L18-N212 WeakPolarHBondContact CD2-OD1 3.46Å
19	Q	95.4	Very high	95.9	Very high	116 Å²	116	59.3 Å²	59.3	54%	0.542	30%	0.296	S	S	.	.	S	Bend	trans	-82.4	-37.8	172	-178.5	173.1	-29.3	0	0	111.3	M211 P213	Q19-M211 PolarHBondContact N-O 3.25Å; Q19-P213 HydrophobicContact CB-CB 4.08Å; Q19-P213 VanDerWaalsContact OE1-CA 3.28Å
20	E	97.3	Very high	96	Very high	51 Å²	51	54.5 Å²	54.5	24%	0.238	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	146.4	-175.4	-172.7	176.8	-171.9	0	0	111	L22 R189 M211	E20-L22 HydrophobicContact CG-CD2 4.43Å; E20-R189 VanDerWaalsContact CD-NE 3.33Å; E20-R189 IonicContact OE1-CZ 3.99Å; E20-R189 IonicContact OE1-NE 2.91Å; E20-R189 PolarHBondContact OE1-NE 3.06Å; E20-R189 VanDerWaalsContact OE1-NE 3.12Å; E20-R189 IonicContact OE1-NH2 2.62Å; E20-R189 PolarHBondContact OE1-NH2 2.97Å; E20-R189 VanDerWaalsContact OE2-CD 3.31Å; E20-R189 WeakPolarHBondContact OE2-CD 3.23Å; E20-R189 IonicContact OE2-CZ 3.49Å; E20-R189 IonicContact OE2-NE 3.49Å; E20-R189 PolarHBondContact OE2-NE 3.22Å; E20-R189 IonicContact OE2-NH2 2.71Å; E20-M211 HydrophobicContact CB-CB 4.28Å; E20-M211 HydrophobicContact CB-CE 3.76Å; E20-M211 HydrophobicContact CB-SD 4.5Å; E20-M211 HydrophobicContact CG-CE 3.6Å; E20-M211 PolarHBondContact N-O 3.5Å; E20-M211 PolarHBondContact O-N 2.92Å
21	V	98.1	Very high	96	Very high	39 Å²	39	53.9 Å²	53.9	24%	0.236	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	121.5	176.1	177	0	0	0	0	108.1	T15 L18 E24 H209 L210	T15-V21 HydrophobicContact CG2-CG2 3.98Å; L18-V21 HydrophobicContact CB-CG2 4.45Å; L18-V21 HydrophobicContact CD1-CG2 3.75Å; V21-E24 HydrophobicContact CG1-CB 4.2Å; V21-H209 WeakPolarHBondContact CA-O 3.43Å; V21-L210 HydrophobicContact CB-CD2 4.37Å; V21-L210 HydrophobicContact CG1-CD2 3.8Å; V21-L210 HydrophobicContact CG2-CD2 4Å
22	L	97.9	Very high	96	Very high	32 Å²	32	59.9 Å²	59.9	17%	0.168	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	134.3	171.1	-57.8	176.1	0	0	0	109.6	E20 T193 E196 V208 H209 M211	E20-L22 HydrophobicContact CG-CD2 4.43Å; L22-T193 HydrophobicContact CD1-CG2 4.17Å; L22-E196 WeakPolarHBondContact CB-OE1 3.28Å; L22-V208 WeakPolarHBondContact O-CA 3.3Å; L22-V208 VanDerWaalsContact O-CG1 3.3Å; L22-V208 WeakPolarHBondContact O-CG1 3.37Å; L22-H209 HydrophobicContact CB-CB 4.13Å; L22-H209 HydrophobicContact CD1-CB 4.32Å; L22-H209 PolarHBondContact N-O 2.92Å; L22-H209 PolarHBondContact O-N 3.4Å; L22-M211 HydrophobicContact CD1-CE 3.76Å; L22-M211 HydrophobicContact CG-CE 3.68Å
23	G	96.1	Very high	95.9	Very high	37 Å²	37	62.3 Å²	62.3	38%	0.381	31%	0.308	S	S	.	.			trans	83.9	29.9	180	0	0	0	0	0	114.9	D25 K26 L27	G23-D25 VanDerWaalsContact C-N 3.28Å; G23-D25 PolarHBondContact O-N 3.44Å; G23-K26 PolarHBondContact O-N 3.05Å; G23-L27 PolarHBondContact O-N 3.05Å
24	E	94.6	Very high	96	Very high	88 Å²	88	65.8 Å²	65.8	41%	0.411	32%	0.319	S	S	.	.	H	α-helix	trans	-55.2	-38.6	-178	-168.1	-175	160.9	0	0	113.6	V21 K26 L27 K28	V21-E24 HydrophobicContact CG1-CB 4.2Å; E24-K26 VanDerWaalsContact C-N 3.31Å; E24-K26 PolarHBondContact O-N 2.69Å; E24-L27 WeakPolarHBondContact O-CB 3.17Å; E24-L27 PolarHBondContact O-N 2.85Å; E24-K28 HydrophobicContact CG-CD 4.48Å; E24-K28 WeakPolarHBondContact O-CG 3.39Å; E24-K28 PolarHBondContact O-N 3.38Å; E24-K28 WeakPolarHBondContact OE1-CE 3.45Å; E24-K28 IonicContact OE1-NZ 2.67Å; E24-K28 PolarHBondContact OE1-NZ 3.06Å
25	D	95.5	Very high	95.9	Very high	126 Å²	126	68.3 Å²	68.3	67%	0.674	33%	0.33	S	S	*	.	H	α-helix	trans	-59.7	-43.8	177.2	-64.3	-32.8	0	0	0	111.3	G23 L27 K28 E29	G23-D25 VanDerWaalsContact C-N 3.28Å; G23-D25 PolarHBondContact O-N 3.44Å; D25-L27 VanDerWaalsContact C-N 3.35Å; D25-L27 PolarHBondContact O-N 3.37Å; D25-K28 PolarHBondContact O-N 3.04Å; D25-E29 WeakPolarHBondContact O-CG 3.23Å; D25-E29 PolarHBondContact O-N 2.87Å
26	K	95.4	Very high	96	Very high	103 Å²	103	66.5 Å²	66.5	45%	0.448	32%	0.319	S	S	.	.	H	α-helix	trans	-68.7	-36.9	178.7	-170.3	60.3	-174.7	172.2	0	111.9	G23 E24 E29 I30 V208	G23-K26 PolarHBondContact O-N 3.05Å; E24-K26 VanDerWaalsContact C-N 3.31Å; E24-K26 PolarHBondContact O-N 2.69Å; K26-E29 VanDerWaalsContact CD-OE2 3.28Å; K26-E29 WeakPolarHBondContact CD-OE2 3.48Å; K26-E29 IonicContact NZ-OE2 2.83Å; K26-E29 PolarHBondContact NZ-OE2 3.46Å; K26-E29 PolarHBondContact O-N 3.25Å; K26-I30 HydrophobicContact CG-CD1 4.11Å; K26-I30 VanDerWaalsContact O-CG1 3.3Å; K26-I30 WeakPolarHBondContact O-CG1 3.38Å; K26-I30 PolarHBondContact O-N 3.34Å; K26-V208 HydrophobicContact CB-CG2 4.22Å
27	L	96.8	Very high	96.2	Very high	0 Å²	0	67.7 Å²	67.7	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-59	-47.2	173.2	177.1	59	0	0	0	111	L11 I14 T15 G23 E24 D25 E29 I30 L31 L36 V208 L210	L11-L27 HydrophobicContact CD1-CD2 3.58Å; L11-L27 HydrophobicContact CD1-CG 3.96Å; I14-L27 HydrophobicContact CG2-CD2 4.27Å; T15-L27 HydrophobicContact CG2-CD2 4.07Å; G23-L27 PolarHBondContact O-N 3.05Å; E24-L27 WeakPolarHBondContact O-CB 3.17Å; E24-L27 PolarHBondContact O-N 2.85Å; D25-L27 VanDerWaalsContact C-N 3.35Å; D25-L27 PolarHBondContact O-N 3.37Å; L27-E29 PolarHBondContact O-N 2.88Å; L27-I30 PolarHBondContact O-N 2.92Å; L27-L31 HydrophobicContact CD1-CD1 3.94Å; L27-L31 HydrophobicContact CD1-CG 4.1Å; L27-L31 HydrophobicContact CG-CD1 4.03Å; L27-L31 VanDerWaalsContact O-CG 3.28Å; L27-L31 WeakPolarHBondContact O-CG 3.41Å; L27-L31 PolarHBondContact O-N 3.44Å; L27-L36 HydrophobicContact CD1-CD1 3.75Å; L27-L36 HydrophobicContact CD1-CD2 3.59Å; L27-L36 HydrophobicContact CD1-CG 4.23Å; L27-V208 HydrophobicContact CB-CG1 4.19Å; L27-V208 HydrophobicContact CB-CG2 4.19Å; L27-V208 HydrophobicContact CD2-CG1 4.44Å; L27-L210 HydrophobicContact CD2-CD2 4.46Å
28	K	96.5	Very high	96.6	Very high	79 Å²	79	65 Å²	65	34%	0.343	31%	0.312	S	S	.	.	H	α-helix	trans	-63.3	-38.9	177.8	-74.3	174.3	-178.5	161.9	0	112.9	L11 E24 D25 K32	L11-K28 HydrophobicContact CD2-CD 4.46Å; L11-K28 HydrophobicContact CD2-CG 4.04Å; E24-K28 HydrophobicContact CG-CD 4.48Å; E24-K28 WeakPolarHBondContact O-CG 3.39Å; E24-K28 PolarHBondContact O-N 3.38Å; E24-K28 WeakPolarHBondContact OE1-CE 3.45Å; E24-K28 IonicContact OE1-NZ 2.67Å; E24-K28 PolarHBondContact OE1-NZ 3.06Å; D25-K28 PolarHBondContact O-N 3.04Å; K28-K32 WeakPolarHBondContact O-CG 3.29Å; K28-K32 PolarHBondContact O-N 3.3Å
29	E	96.9	Very high	96.7	Very high	96 Å²	96	63.8 Å²	63.8	45%	0.449	31%	0.305	S	S	.	.	H	α-helix	trans	-60.2	-49.3	173.8	-73.5	175.1	-174.2	0	0	111.4	D25 K26 L27 L31 K32	D25-E29 WeakPolarHBondContact O-CG 3.23Å; D25-E29 PolarHBondContact O-N 2.87Å; K26-E29 VanDerWaalsContact CD-OE2 3.28Å; K26-E29 WeakPolarHBondContact CD-OE2 3.48Å; K26-E29 IonicContact NZ-OE2 2.83Å; K26-E29 PolarHBondContact NZ-OE2 3.46Å; K26-E29 PolarHBondContact O-N 3.25Å; L27-E29 PolarHBondContact O-N 2.88Å; E29-L31 PolarHBondContact O-N 3.34Å; E29-K32 PolarHBondContact O-N 2.97Å
30	I	97.1	Very high	96.9	Very high	11 Å²	11	59 Å²	59	6%	0.056	28%	0.282	C	S	.	.	H	α-helix	trans	-61.8	-46.4	-177.9	-67.3	165.6	0	0	0	110.7	K26 L27 K32 E33 R34 L36 D180	K26-I30 HydrophobicContact CG-CD1 4.11Å; K26-I30 VanDerWaalsContact O-CG1 3.3Å; K26-I30 WeakPolarHBondContact O-CG1 3.38Å; K26-I30 PolarHBondContact O-N 3.34Å; L27-I30 PolarHBondContact O-N 2.92Å; I30-K32 PolarHBondContact O-N 3.23Å; I30-E33 PolarHBondContact O-N 3.06Å; I30-R34 HydrophobicContact CG2-CG 4.15Å; I30-R34 PolarHBondContact O-N 3.25Å; I30-L36 HydrophobicContact CB-CD1 4.48Å; I30-L36 HydrophobicContact CD1-CD1 4.15Å; I30-L36 HydrophobicContact CG2-CD1 4.01Å; I30-D180 HydrophobicContact CD1-CB 3.73Å
31	L	96.6	Very high	96.9	Very high	8 Å²	8	57.5 Å²	57.5	4%	0.042	28%	0.28	C	S	.	.	H	α-helix	trans	-64.7	-19.4	-177.3	-67.9	176	0	0	0	114.1	P7 K10 L11 I14 L27 E29 L36	P7-L31 HydrophobicContact CB-CB 4.45Å; K10-L31 HydrophobicContact CB-CD2 4.26Å; K10-L31 HydrophobicContact CD-CD2 4.42Å; L11-L31 HydrophobicContact CB-CD1 3.89Å; L11-L31 HydrophobicContact CD1-CD1 4.05Å; I14-L31 HydrophobicContact CD1-CD1 4.02Å; I14-L31 HydrophobicContact CD1-CD2 3.78Å; L27-L31 HydrophobicContact CD1-CD1 3.94Å; L27-L31 HydrophobicContact CD1-CG 4.1Å; L27-L31 HydrophobicContact CG-CD1 4.03Å; L27-L31 VanDerWaalsContact O-CG 3.28Å; L27-L31 WeakPolarHBondContact O-CG 3.41Å; L27-L31 PolarHBondContact O-N 3.44Å; E29-L31 PolarHBondContact O-N 3.34Å; L31-L36 HydrophobicContact CD2-CB 4.24Å
32	K	95.2	Very high	96.7	Very high	155 Å²	155	55.9 Å²	55.9	67%	0.674	27%	0.27	S	S	*	.	H	α-helix	trans	-76.6	-25.7	173	-72.5	169.6	-177	178.5	0	112.8	K28 E29 I30	K28-K32 WeakPolarHBondContact O-CG 3.29Å; K28-K32 PolarHBondContact O-N 3.3Å; E29-K32 PolarHBondContact O-N 2.97Å; I30-K32 PolarHBondContact O-N 3.23Å
33	E	95.1	Very high	96.3	Very high	165 Å²	165	55.6 Å²	55.6	77%	0.771	27%	0.272	S	S	*	.	H	α-helix	trans	-109	-38.5	-170.5	-65.2	-179.5	-173	0	0	113	I30	I30-E33 PolarHBondContact O-N 3.06Å
34	R	96.2	Very high	96	Very high	106 Å²	106	53.8 Å²	53.8	40%	0.4	25%	0.254	S	S	.	.	S	Bend	trans	-159.8	177.1	-173.2	62.4	173.8	179.3	81.3	-3.7	112.8	I30 D180	I30-R34 HydrophobicContact CG2-CG 4.15Å; I30-R34 PolarHBondContact O-N 3.25Å; R34-D180 IonicContact CZ-OD1 3.07Å; R34-D180 IonicContact CZ-OD2 2.61Å; R34-D180 IonicContact NH1-OD1 3.28Å; R34-D180 IonicContact NH1-OD2 3.64Å; R34-D180 PolarHBondContact NH1-OD2 3.23Å; R34-D180 VanDerWaalsContact NH2-CG 3.32Å; R34-D180 IonicContact NH2-OD1 3.43Å; R34-D180 PolarHBondContact NH2-OD1 2.98Å; R34-D180 IonicContact NH2-OD2 3Å; R34-D180 PolarHBondContact NH2-OD2 3.02Å
35	E	96.4	Very high	95.5	Very high	53 Å²	53	51.5 Å²	51.5	25%	0.248	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-69.4	143.5	172.1	-55.1	-60.3	171.4	0	0	111.9	K10 G66 K114	K10-E35 IonicContact NZ-OE1 2.74Å; K10-E35 PolarHBondContact NZ-OE1 3.39Å; K10-E35 IonicContact NZ-OE2 2.82Å; K10-E35 PolarHBondContact NZ-OE2 3.29Å; E35-G66 WeakPolarHBondContact CG-O 3.44Å; E35-K114 IonicContact OE1-NZ 3.95Å
36	L	98.3	Very high	95	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.226	C	C	.	.	P	Polyproline II helix	trans	-75.5	135.4	175.3	-174.3	74.1	0	0	0	110.3	I14 L27 I30 L31 C67 E68 D180 A181	I14-L36 HydrophobicContact CD1-CD2 4.24Å; L27-L36 HydrophobicContact CD1-CD1 3.75Å; L27-L36 HydrophobicContact CD1-CD2 3.59Å; L27-L36 HydrophobicContact CD1-CG 4.23Å; I30-L36 HydrophobicContact CB-CD1 4.48Å; I30-L36 HydrophobicContact CD1-CD1 4.15Å; I30-L36 HydrophobicContact CG2-CD1 4.01Å; L31-L36 HydrophobicContact CD2-CB 4.24Å; L36-C67 VanDerWaalsContact O-CA 3.31Å; L36-C67 WeakPolarHBondContact O-CA 3.33Å; L36-C67 WeakPolarHBondContact O-CB 3.36Å; L36-E68 PolarHBondContact O-N 3.28Å; L36-D180 HydrophobicContact CD1-CB 3.59Å; L36-D180 HydrophobicContact CG-CB 4.49Å; L36-A181 HydrophobicContact CD1-CB 4.38Å; L36-A181 HydrophobicContact CD2-CB 4.18Å; L36-A181 HydrophobicContact CG-CB 4.45Å
37	K	98.8	Very high	94.7	Very high	73 Å²	73	45.4 Å²	45.4	32%	0.317	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	119.2	170.2	-57	-173.1	179.9	-169.6	0	109.4	E68 V179 D180 A181	K37-E68 WeakPolarHBondContact CA-O 3.2Å; K37-E68 WeakPolarHBondContact CE-OE2 3.49Å; K37-E68 HydrophobicContact CG-CB 4.16Å; K37-E68 IonicContact NZ-OE2 2.78Å; K37-V179 HydrophobicContact CB-CG1 4.47Å; K37-D180 WeakPolarHBondContact CB-OD2 3.46Å; K37-D180 PolarHBondContact N-OD2 3.47Å; K37-D180 WeakPolarHBondContact O-CB 3.36Å; K37-D180 PolarHBondContact O-N 2.75Å; K37-A181 PolarHBondContact O-N 3.37Å; K37-A181 VanDerWaalsContact O-N 3.08Å
38	I	98.7	Very high	94.4	Very high	1 Å²	1	45.5 Å²	45.5	1%	0.005	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	143.9	-175.1	-170.5	160.7	0	0	0	110.9	F62 C67 E68 V69 T70 A181 F183 L210	I38-F62 HydrophobicContact CD1-CD2 4.06Å; I38-F62 HydrophobicContact CD1-CE1 4.23Å; I38-F62 HydrophobicContact CD1-CE2 3.73Å; I38-F62 HydrophobicContact CD1-CG 4.48Å; I38-F62 HydrophobicContact CD1-CZ 3.82Å; I38-F62 HydrophobicContact CG2-CB 4.32Å; I38-F62 HydrophobicContact CG2-CD2 4.09Å; I38-F62 HydrophobicContact CG2-CG 4.29Å; I38-C67 HydrophobicContact CG2-CB 4.21Å; I38-E68 PolarHBondContact N-O 3.35Å; I38-V69 HydrophobicContact CG2-CB 4.39Å; I38-V69 HydrophobicContact CG2-CG1 4.41Å; I38-V69 HydrophobicContact CG2-CG2 3.86Å; I38-V69 CarbonylContact O-C 3.44Å; I38-V69 WeakPolarHBondContact O-CA 3.31Å; I38-T70 PolarHBondContact O-N 2.94Å; I38-A181 WeakPolarHBondContact CA-O 3.44Å; I38-A181 HydrophobicContact CB-CB 4.23Å; I38-A181 HydrophobicContact CD1-CB 3.97Å; I38-A181 HydrophobicContact CG1-CB 3.91Å; I38-F183 HydrophobicContact CD1-CB 3.84Å; I38-F183 HydrophobicContact CG1-CB 4.22Å; I38-L210 HydrophobicContact CD1-CD1 3.52Å; I38-L210 HydrophobicContact CD1-CG 4.34Å
39	Y	98.6	Very high	94.1	Very high	1 Å²	1	43.2 Å²	43.2	0%	0.004	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	156.6	166.1	88.2	-68.1	0	0	0	114.1	T70 L72 Q170 D173 E174 L177 V179 A181 Q182 F183	Y39-T70 CarbonylContact C-O 3.53Å; Y39-T70 WeakPolarHBondContact CA-O 3.33Å; Y39-T70 VanDerWaalsContact CB-O 3.3Å; Y39-T70 WeakPolarHBondContact CB-O 3.48Å; Y39-L72 HydrophobicContact CD2-CB 4.16Å; Y39-L72 HydrophobicContact CE2-CD2 4.26Å; Y39-Q170 PolarHBondContact OH-O 3.07Å; Y39-D173 HydrophobicContact CE2-CB 4.16Å; Y39-E174 HydrophobicContact CE1-CB 4.43Å; Y39-E174 HydrophobicContact CE1-CG 3.7Å; Y39-L177 HydrophobicContact CD1-CD1 4.25Å; Y39-L177 HydrophobicContact CD2-CD1 3.37Å; Y39-L177 HydrophobicContact CE2-CD1 3.75Å; Y39-L177 HydrophobicContact CG-CD1 3.6Å; Y39-V179 HydrophobicContact CD1-CB 4.37Å; Y39-V179 HydrophobicContact CD1-CG1 4.3Å; Y39-V179 HydrophobicContact CD1-CG2 3.55Å; Y39-V179 HydrophobicContact CE1-CG2 3.95Å; Y39-A181 PolarHBondContact N-O 3.14Å; Y39-Q182 HydrophobicContact CD1-CB 3.99Å; Y39-Q182 HydrophobicContact CD1-CG 3.98Å; Y39-Q182 HydrophobicContact CE1-CB 3.49Å; Y39-Q182 VanDerWaalsContact CE1-CB 3.49Å; Y39-Q182 HydrophobicContact CE1-CG 3.39Å; Y39-Q182 HydrophobicContact CE2-CG 4.34Å; Y39-Q182 PolarHBondContact OH-NE2 2.64Å; Y39-Q182 PolarHBondContact OH-OE1 2.99Å; Y39-F183 PolarHBondContact O-N 2.67Å
40	W	98.6	Very high	93.8	Very high	16 Å²	16	38.8 Å²	38.8	6%	0.061	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	126.6	169	173.8	62.6	0	0	0	109	T42 Y52 P55 M56 I59 T70 I71 L72 I101 F183	W40-T42 HydrophobicContact CE3-CG2 4.4Å; W40-T42 HydrophobicContact CH2-CG2 4.07Å; W40-T42 HydrophobicContact CZ3-CG2 3.85Å; W40-Y52 HydrophobicContact CH2-CD1 4.12Å; W40-Y52 AromaticContact CH2-CE1 3.57Å; W40-Y52 HydrophobicContact CH2-CE1 3.57Å; W40-Y52 HydrophobicContact CZ2-CE1 4.27Å; W40-P55 HydrophobicContact CH2-CG 4.42Å; W40-P55 HydrophobicContact CZ2-CB 3.85Å; W40-P55 HydrophobicContact CZ2-CG 3.89Å; W40-M56 HydrophobicContact CD2-CE 4.39Å; W40-M56 HydrophobicContact CE3-CE 3.62Å; W40-M56 HydrophobicContact CH2-CE 3.46Å; W40-M56 VanDerWaalsContact CH2-CE 3.46Å; W40-M56 HydrophobicContact CZ2-CE 4.26Å; W40-M56 HydrophobicContact CZ3-CE 3.1Å; W40-I59 HydrophobicContact CB-CD1 3.87Å; W40-I59 HydrophobicContact CG-CD1 4.34Å; W40-T70 PolarHBondContact N-O 3.05Å; W40-I71 HydrophobicContact CE3-CB 4.47Å; W40-I71 HydrophobicContact CE3-CD1 3.85Å; W40-I71 HydrophobicContact CE3-CG1 3.99Å; W40-I71 HydrophobicContact CE3-CG2 3.82Å; W40-I71 HydrophobicContact CZ3-CD1 4.12Å; W40-I71 HydrophobicContact CZ3-CG2 4Å; W40-I71 WeakPolarHBondContact O-CA 3.4Å; W40-L72 PolarHBondContact O-N 3.01Å; W40-I101 HydrophobicContact CH2-CD1 4.49Å; W40-I101 HydrophobicContact CZ3-CD1 3.96Å; W40-F183 HydrophobicContact CB-CD1 3.98Å; W40-F183 AromaticContact CD1-CD1 3.57Å; W40-F183 AromaticContact CD1-CE1 3.94Å; W40-F183 AromaticContact CG-CD1 3.85Å; W40-F183 HydrophobicContact CG-CD1 3.85Å; W40-F183 HydrophobicContact CG-CE1 4.33Å
41	G	96.9	Very high	93.4	Very high	19 Å²	19	39.3 Å²	39.3	20%	0.196	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	135.5	177.7	0	0	0	0	0	111.8
42	T	94.6	Very high	93.2	Very high	4 Å²	4	41 Å²	41	3%	0.025	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	124.3	172.4	169.5	0	0	0	0	111	W40 Y52 I71 L72 F73 A74 Y97 I101	W40-T42 HydrophobicContact CE3-CG2 4.4Å; W40-T42 HydrophobicContact CH2-CG2 4.07Å; W40-T42 HydrophobicContact CZ3-CG2 3.85Å; T42-Y52 PolarHBondContact OG1-OH 3.22Å; T42-I71 HydrophobicContact CG2-CG2 3.91Å; T42-L72 PolarHBondContact N-O 3.02Å; T42-F73 HydrophobicContact CG2-CD1 3.95Å; T42-F73 HydrophobicContact CG2-CE1 4.11Å; T42-A74 PolarHBondContact O-N 3.32Å; T42-Y97 WeakPolarHBondContact OG1-CE1 3.38Å; T42-I101 HydrophobicContact CG2-CD1 4.29Å
43	A	89.6	Confident	93.1	Very high	26 Å²	26	33.6 Å²	33.6	22%	0.215	17%	0.171	C	C	.	.			trans	-72.9	133.4	170.6	0	0	0	0	0	110.6	T45 Y97	A43-T45 VanDerWaalsContact C-N 3.26Å; A43-T45 HydrophobicContact CB-CG2 4.34Å; A43-T45 PolarHBondContact O-N 2.96Å; A43-T45 VanDerWaalsContact O-N 3.12Å; A43-Y97 PolarHBondContact O-OH 2.62Å
44	T	89.4	Confident	93	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.138	C	C	.	.	S	Bend	trans	-90.5	47.8	-175.2	51.8	0	0	0	0	112.6	F73 R93 V94 Y97	T44-F73 HydrophobicContact CG2-CB 4.11Å; T44-F73 HydrophobicContact CG2-CD1 3.93Å; T44-F73 HydrophobicContact CG2-CG 4.47Å; T44-R93 WeakPolarHBondContact O-CB 3.48Å; T44-R93 VanDerWaalsContact O-CD 3.27Å; T44-R93 WeakPolarHBondContact O-CD 3.31Å; T44-V94 HydrophobicContact CG2-CB 4.43Å; T44-V94 HydrophobicContact CG2-CG2 3.83Å; T44-Y97 HydrophobicContact CG2-CD1 4.36Å; T44-Y97 HydrophobicContact CG2-CD2 3.95Å; T44-Y97 HydrophobicContact CG2-CE2 4.36Å; T44-Y97 HydrophobicContact CG2-CG 3.92Å
45	T	84.9	Confident	92.9	Very high	40 Å²	40	22.2 Å²	22.2	25%	0.245	13%	0.125	C	C	.	.			trans	-93.4	-78.8	-173.7	55.8	0	0	0	0	112.8	A43 A78 N82 R93	A43-T45 VanDerWaalsContact C-N 3.26Å; A43-T45 HydrophobicContact CB-CG2 4.34Å; A43-T45 PolarHBondContact O-N 2.96Å; A43-T45 VanDerWaalsContact O-N 3.12Å; T45-A78 HydrophobicContact CG2-CB 3.6Å; T45-N82 HydrophobicContact CG2-CB 4.28Å; T45-R93 VanDerWaalsContact O-CZ 3.32Å; T45-R93 PolarHBondContact O-NH1 3.15Å
46	G	84.6	Confident	92.9	Very high	25 Å²	25	19.7 Å²	19.7	26%	0.258	11%	0.114	S	C	.	.	S	Bend	trans	-72.8	179.6	-177.7	0	0	0	0	0	112.9	Y97 Y341	G46-Y97 VanDerWaalsContact O-CE2 3.3Å; G46-Y97 WeakPolarHBondContact O-CE2 3.28Å; G46-Y97 PolarHBondContact O-OH 2.71Å; G46-Y341 WeakPolarHBondContact O-CE1 3.32Å; G46-Y341 PolarHBondContact O-OH 2.61Å
47	K	88.8	Confident	92.7	Very high	76 Å²	76	19.9 Å²	19.9	33%	0.33	12%	0.115	S	C	.	.			trans	-90.4	122.9	170.9	-166	175.1	175.1	-145.8	0	109.4	Y96 D233 Y341	K47-Y96 WeakPolarHBondContact CE-OH 3.48Å; K47-Y96 HydrophobicContact CG-CE1 4.33Å; K47-D233 WeakPolarHBondContact CD-OD2 3.48Å; K47-D233 WeakPolarHBondContact CE-OD1 3.38Å; K47-D233 WeakPolarHBondContact CE-OD2 3.43Å; K47-D233 IonicContact NZ-OD1 2.8Å; K47-D233 PolarHBondContact NZ-OD1 2.86Å; K47-D233 IonicContact NZ-OD2 3.48Å; K47-D233 PolarHBondContact NZ-OD2 2.84Å; K47-Y341 HydrophobicContact CB-CD1 3.9Å; K47-Y341 HydrophobicContact CB-CD2 4.46Å; K47-Y341 HydrophobicContact CB-CE1 3.76Å; K47-Y341 HydrophobicContact CB-CE2 4.35Å; K47-Y341 HydrophobicContact CB-CG 4.22Å; K47-Y341 HydrophobicContact CD-CD2 4.12Å; K47-Y341 HydrophobicContact CD-CG 4.09Å; K47-Y341 HydrophobicContact CG-CD1 4.35Å; K47-Y341 HydrophobicContact CG-CD2 4.04Å; K47-Y341 HydrophobicContact CG-CE1 4.33Å; K47-Y341 HydrophobicContact CG-CE2 4.03Å; K47-Y341 HydrophobicContact CG-CG 4.19Å
48	P	91.6	Very high	92.6	Very high	2 Å²	2	16.7 Å²	16.7	1%	0.013	10%	0.101	C	C	.	.			trans	-54	139.8	174.4	-29.6	35	0	0	0	113.5	Y52 Y96 Y97 V100 L234	P48-Y52 HydrophobicContact CB-CD1 4.13Å; P48-Y52 HydrophobicContact CB-CD2 4.46Å; P48-Y52 HydrophobicContact CB-CE1 4.47Å; P48-Y52 HydrophobicContact CB-CG 4.13Å; P48-Y52 HydrophobicContact CG-CD1 4.49Å; P48-Y52 HydrophobicContact CG-CE1 4.38Å; P48-Y96 HydrophobicContact CG-CE1 4.37Å; P48-Y97 HydrophobicContact CG-CD1 3.88Å; P48-Y97 HydrophobicContact CG-CD2 4.36Å; P48-Y97 HydrophobicContact CG-CE1 3.51Å; P48-Y97 HydrophobicContact CG-CE2 4.05Å; P48-Y97 HydrophobicContact CG-CG 4.31Å; P48-V100 HydrophobicContact CB-CG1 4.46Å; P48-V100 HydrophobicContact CG-CG1 4.21Å; P48-L234 HydrophobicContact CB-CD1 3.86Å
49	H	89.9	Confident	92.6	Very high	31 Å²	31	16.7 Å²	16.7	14%	0.144	10%	0.101	C	C	.	.	B	Isolated β-bridge	trans	-128.3	175.6	179.2	52.2	60.7	0	0	0	110.2	A51 Y52 M223 K231 I232	H49-A51 PolarHBondContact ND1-N 3.15Å; H49-A51 PolarHBondContact O-N 3.2Å; H49-Y52 WeakPolarHBondContact O-CB 3.3Å; H49-Y52 PolarHBondContact O-N 3.3Å; H49-M223 WeakPolarHBondContact CE1-CE 3.42Å; H49-K231 HydrophobicContact CB-CB 4.34Å; H49-K231 VanDerWaalsContact CD2-CD 3.47Å; H49-K231 WeakPolarHBondContact CD2-CD 3.4Å; H49-K231 PolarHBondContact CD2-NZ 3Å; H49-K231 PolarHBondContact NE2-NZ 2.85Å; H49-I232 WeakPolarHBondContact CA-O 3.32Å; H49-I232 VanDerWaalsContact CB-O 3.24Å; H49-I232 WeakPolarHBondContact CB-O 3.49Å
50	V	90.6	Very high	92.5	Very high	3 Å²	3	16.7 Å²	16.7	2%	0.018	10%	0.101	C	C	.	.	G	3₁₀ helix	trans	-53.2	-28.7	-171.9	-65.3	0	0	0	0	115.8	Y52 F53 L218 I232 L234 F263 L317 L321	V50-Y52 PolarHBondContact O-N 2.98Å; V50-Y52 VanDerWaalsContact O-N 3.14Å; V50-F53 HydrophobicContact CB-CD2 4.46Å; V50-F53 VanDerWaalsContact O-CB 3.31Å; V50-F53 WeakPolarHBondContact O-CB 3.46Å; V50-F53 VanDerWaalsContact O-CD2 3.28Å; V50-F53 WeakPolarHBondContact O-CD2 3.37Å; V50-F53 PolarHBondContact O-N 2.99Å; V50-L218 HydrophobicContact CG2-CD2 4.1Å; V50-I232 HydrophobicContact CB-CB 4.47Å; V50-I232 HydrophobicContact CG1-CB 3.83Å; V50-I232 HydrophobicContact CG1-CG2 3.68Å; V50-I232 WeakPolarHBondContact CG1-O 3.43Å; V50-I232 HydrophobicContact CG2-CB 3.82Å; V50-I232 PolarHBondContact N-O 3.33Å; V50-L234 HydrophobicContact CG1-CD2 4.31Å; V50-F263 HydrophobicContact CB-CE2 4.29Å; V50-F263 HydrophobicContact CB-CZ 4.49Å; V50-L317 HydrophobicContact CB-CD1 4.45Å; V50-L317 HydrophobicContact CG1-CD1 3.95Å; V50-L317 HydrophobicContact CG1-CD2 4.21Å; V50-L321 HydrophobicContact CG1-CD1 4.38Å; V50-L321 HydrophobicContact CG1-CD2 4.42Å
51	A	87.4	Confident	92.3	Very high	22 Å²	22	16.1 Å²	16.1	18%	0.182	10%	0.099	C	C	.	.	G	3₁₀ helix	trans	-66	-12.2	174.2	0	0	0	0	0	114.9	H49 F53 V54 P55 M223	H49-A51 PolarHBondContact ND1-N 3.15Å; H49-A51 PolarHBondContact O-N 3.2Å; A51-F53 PolarHBondContact O-N 2.89Å; A51-V54 WeakPolarHBondContact O-CB 3.22Å; A51-V54 PolarHBondContact O-N 3.46Å; A51-P55 WeakPolarHBondContact O-CD 3.38Å; A51-M223 HydrophobicContact CB-CE 3.11Å
52	Y	93.1	Very high	92.3	Very high	43 Å²	43	15.2 Å²	15.2	17%	0.169	9%	0.09	C	C	.	.	G	3₁₀ helix	trans	-60.8	-19.7	166	-106.9	-125.3	0	0	0	112.3	W40 T42 P48 H49 V50 V54 P55 M56 Y97	W40-Y52 HydrophobicContact CH2-CD1 4.12Å; W40-Y52 AromaticContact CH2-CE1 3.57Å; W40-Y52 HydrophobicContact CH2-CE1 3.57Å; W40-Y52 HydrophobicContact CZ2-CE1 4.27Å; T42-Y52 PolarHBondContact OG1-OH 3.22Å; P48-Y52 HydrophobicContact CB-CD1 4.13Å; P48-Y52 HydrophobicContact CB-CD2 4.46Å; P48-Y52 HydrophobicContact CB-CE1 4.47Å; P48-Y52 HydrophobicContact CB-CG 4.13Å; P48-Y52 HydrophobicContact CG-CD1 4.49Å; P48-Y52 HydrophobicContact CG-CE1 4.38Å; H49-Y52 WeakPolarHBondContact O-CB 3.3Å; H49-Y52 PolarHBondContact O-N 3.3Å; V50-Y52 PolarHBondContact O-N 2.98Å; V50-Y52 VanDerWaalsContact O-N 3.14Å; Y52-V54 PolarHBondContact O-N 2.91Å; Y52-P55 VanDerWaalsContact O-CD 3.22Å; Y52-P55 WeakPolarHBondContact O-CD 3.13Å; Y52-P55 VanDerWaalsContact O-CG 3.31Å; Y52-P55 WeakPolarHBondContact O-CG 3.49Å; Y52-M56 WeakPolarHBondContact O-CB 3.35Å; Y52-M56 WeakPolarHBondContact O-CG 3.41Å; Y52-M56 PolarHBondContact O-N 3.12Å; Y52-Y97 HydrophobicContact CE1-CD1 4.32Å; Y52-Y97 AromaticContact CE1-CE1 3.94Å; Y52-Y97 HydrophobicContact CE1-CE1 3.94Å; Y52-Y97 AromaticContact CZ-CE1 3.97Å
53	F	93.3	Very high	92.4	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-64	-21.5	171.5	-78.3	-71.2	0	0	0	113.2	V50 A51 M56 S57 M104 I108 L234 F263 V267 L320 L321 I324	V50-F53 HydrophobicContact CB-CD2 4.46Å; V50-F53 VanDerWaalsContact O-CB 3.31Å; V50-F53 WeakPolarHBondContact O-CB 3.46Å; V50-F53 VanDerWaalsContact O-CD2 3.28Å; V50-F53 WeakPolarHBondContact O-CD2 3.37Å; V50-F53 PolarHBondContact O-N 2.99Å; A51-F53 PolarHBondContact O-N 2.89Å; F53-M56 PolarHBondContact O-N 3.35Å; F53-S57 VanDerWaalsContact O-CB 3.29Å; F53-S57 WeakPolarHBondContact O-CB 3.18Å; F53-S57 PolarHBondContact O-N 3.47Å; F53-S57 PolarHBondContact O-OG 2.9Å; F53-M104 HydrophobicContact CB-CE 4.17Å; F53-M104 HydrophobicContact CD1-CE 3.4Å; F53-M104 HydrophobicContact CD2-CE 3.71Å; F53-M104 HydrophobicContact CE1-CB 4.06Å; F53-M104 HydrophobicContact CE1-CE 3.59Å; F53-M104 HydrophobicContact CE1-CG 4.08Å; F53-M104 HydrophobicContact CE2-CE 3.89Å; F53-M104 HydrophobicContact CG-CE 3.46Å; F53-M104 VanDerWaalsContact CG-CE 3.46Å; F53-M104 HydrophobicContact CZ-CE 3.84Å; F53-M104 HydrophobicContact CZ-CG 4.15Å; F53-I108 HydrophobicContact CD1-CD1 4.15Å; F53-I108 HydrophobicContact CE1-CD1 4.4Å; F53-I108 HydrophobicContact CE1-CG1 4.4Å; F53-L234 HydrophobicContact CD2-CD2 4.07Å; F53-L234 HydrophobicContact CE2-CD2 3.58Å; F53-L234 HydrophobicContact CZ-CD2 4.33Å; F53-F263 HydrophobicContact CB-CE2 4.41Å; F53-F263 HydrophobicContact CD2-CZ 4.47Å; F53-V267 HydrophobicContact CB-CB 4.26Å; F53-V267 HydrophobicContact CB-CG1 3.48Å; F53-V267 VanDerWaalsContact CB-CG1 3.48Å; F53-V267 HydrophobicContact CB-CG2 3.74Å; F53-V267 HydrophobicContact CG-CG1 4.1Å; F53-L320 HydrophobicContact CE1-CB 4.42Å; F53-L320 HydrophobicContact CZ-CB 4.02Å; F53-L321 HydrophobicContact CE2-CD2 3.8Å; F53-L321 HydrophobicContact CZ-CD2 4.23Å; F53-I324 HydrophobicContact CE1-CD1 4.44Å; F53-I324 HydrophobicContact CZ-CD1 3.68Å
54	V	91.8	Very high	92.7	Very high	11 Å²	11	18 Å²	18	7%	0.067	10%	0.098	C	C	.	.	H	α-helix	trans	-63.7	-59	176.3	174.5	0	0	0	0	111.1	A51 Y52 M56 S57 V215 H266 V267	A51-V54 WeakPolarHBondContact O-CB 3.22Å; A51-V54 PolarHBondContact O-N 3.46Å; Y52-V54 PolarHBondContact O-N 2.91Å; V54-M56 VanDerWaalsContact C-N 3.33Å; V54-M56 PolarHBondContact O-N 2.82Å; V54-S57 PolarHBondContact O-N 2.8Å; V54-V215 HydrophobicContact CG1-CB 4.42Å; V54-V215 HydrophobicContact CG1-CG2 3.75Å; V54-V215 HydrophobicContact CG2-CB 4.1Å; V54-V215 HydrophobicContact CG2-CG1 4.05Å; V54-V215 HydrophobicContact CG2-CG2 4.1Å; V54-H266 HydrophobicContact CG1-CB 4.42Å; V54-H266 HydrophobicContact CG2-CB 4.32Å; V54-V267 HydrophobicContact CG2-CG2 3.77Å
55	P	95.3	Very high	93	Very high	21 Å²	21	18 Å²	18	14%	0.136	10%	0.098	C	C	.	.	H	α-helix	trans	-64.3	-36.4	173.2	24	-32.6	0	0	0	112.1	W40 A51 Y52 S57 K58 I59 F183	W40-P55 HydrophobicContact CH2-CG 4.42Å; W40-P55 HydrophobicContact CZ2-CB 3.85Å; W40-P55 HydrophobicContact CZ2-CG 3.89Å; A51-P55 WeakPolarHBondContact O-CD 3.38Å; Y52-P55 VanDerWaalsContact O-CD 3.22Å; Y52-P55 WeakPolarHBondContact O-CD 3.13Å; Y52-P55 VanDerWaalsContact O-CG 3.31Å; Y52-P55 WeakPolarHBondContact O-CG 3.49Å; P55-S57 VanDerWaalsContact C-N 3.27Å; P55-S57 PolarHBondContact O-N 2.99Å; P55-K58 PolarHBondContact O-N 2.83Å; P55-I59 WeakPolarHBondContact O-CG1 3.41Å; P55-I59 PolarHBondContact O-N 2.92Å; P55-F183 HydrophobicContact CB-CE1 3.87Å; P55-F183 HydrophobicContact CB-CZ 4.27Å
56	M	96.5	Very high	93.5	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-64.5	-30	178.9	-67.1	-58.6	95.2	0	0	113.5	W40 Y52 F53 V54 K58 I59 A60 I71 I101 M104 L105 I108	W40-M56 HydrophobicContact CD2-CE 4.39Å; W40-M56 HydrophobicContact CE3-CE 3.62Å; W40-M56 HydrophobicContact CH2-CE 3.46Å; W40-M56 VanDerWaalsContact CH2-CE 3.46Å; W40-M56 HydrophobicContact CZ2-CE 4.26Å; W40-M56 HydrophobicContact CZ3-CE 3.1Å; Y52-M56 WeakPolarHBondContact O-CB 3.35Å; Y52-M56 WeakPolarHBondContact O-CG 3.41Å; Y52-M56 PolarHBondContact O-N 3.12Å; F53-M56 PolarHBondContact O-N 3.35Å; V54-M56 VanDerWaalsContact C-N 3.33Å; V54-M56 PolarHBondContact O-N 2.82Å; M56-K58 VanDerWaalsContact C-N 3.32Å; M56-I59 HydrophobicContact CE-CB 4.4Å; M56-I59 HydrophobicContact CE-CG1 3.7Å; M56-I59 PolarHBondContact O-N 2.67Å; M56-A60 WeakPolarHBondContact O-CB 3.36Å; M56-A60 PolarHBondContact O-N 3.41Å; M56-I71 HydrophobicContact CE-CD1 4.31Å; M56-I101 HydrophobicContact SD-CB 4.38Å; M56-I101 HydrophobicContact SD-CG1 4.17Å; M56-I101 HydrophobicContact SD-CG2 3.73Å; M56-M104 HydrophobicContact CB-CE 4.23Å; M56-M104 HydrophobicContact CG-CB 4.38Å; M56-M104 HydrophobicContact CG-CE 3.72Å; M56-M104 HydrophobicContact CG-SD 4.04Å; M56-L105 HydrophobicContact CB-CD2 4.41Å; M56-L105 HydrophobicContact SD-CD2 4.22Å; M56-L105 HydrophobicContact SD-CG 4.26Å; M56-I108 HydrophobicContact CB-CD1 4.18Å
57	S	94.6	Very high	94.1	Very high	4 Å²	4	15.6 Å²	15.6	3%	0.028	8%	0.08	C	C	.	.	H	α-helix	trans	-66.6	-36.1	173.6	-60.2	0	0	0	0	111.2	F53 V54 P55 A60 D61 H266	F53-S57 VanDerWaalsContact O-CB 3.29Å; F53-S57 WeakPolarHBondContact O-CB 3.18Å; F53-S57 PolarHBondContact O-N 3.47Å; F53-S57 PolarHBondContact O-OG 2.9Å; V54-S57 PolarHBondContact O-N 2.8Å; P55-S57 VanDerWaalsContact C-N 3.27Å; P55-S57 PolarHBondContact O-N 2.99Å; S57-A60 WeakPolarHBondContact O-CB 3.47Å; S57-A60 PolarHBondContact O-N 2.84Å; S57-D61 PolarHBondContact O-N 2.91Å; S57-H266 WeakPolarHBondContact CB-O 3.22Å
58	K	96.4	Very high	94.6	Very high	5 Å²	5	16 Å²	16	2%	0.022	8%	0.083	C	C	.	.	H	α-helix	trans	-71.8	-39	172.3	-71.1	-50.8	-51	171.2	0	113	L13 I14 R16 L18 P55 M56 A60 D61 F62 F183 N212	L13-K58 PolarHBondContact O-NZ 3.12Å; I14-K58 WeakPolarHBondContact O-CE 3.25Å; I14-K58 PolarHBondContact O-NZ 3.5Å; R16-K58 PolarHBondContact O-NZ 3.31Å; L18-K58 HydrophobicContact CD2-CD 4.22Å; L18-K58 HydrophobicContact CD2-CG 4.35Å; P55-K58 PolarHBondContact O-N 2.83Å; M56-K58 VanDerWaalsContact C-N 3.32Å; K58-A60 VanDerWaalsContact C-N 3.26Å; K58-A60 PolarHBondContact O-N 3.04Å; K58-D61 IonicContact NZ-OD2 2.79Å; K58-D61 PolarHBondContact NZ-OD2 3.37Å; K58-D61 WeakPolarHBondContact O-CB 3.49Å; K58-D61 PolarHBondContact O-N 3.21Å; K58-D61 VanDerWaalsContact O-N 3.12Å; K58-F62 HydrophobicContact CB-CE2 4.19Å; K58-F62 HydrophobicContact CB-CZ 4.12Å; K58-F62 VanDerWaalsContact O-CD2 3.25Å; K58-F62 WeakPolarHBondContact O-CD2 3.49Å; K58-F62 WeakPolarHBondContact O-CG 3.19Å; K58-F62 PolarHBondContact O-N 2.78Å; K58-F183 HydrophobicContact CB-CE1 3.93Å; K58-F183 HydrophobicContact CB-CE2 3.95Å; K58-F183 HydrophobicContact CB-CZ 3.51Å; K58-F183 HydrophobicContact CG-CE2 3.95Å; K58-F183 HydrophobicContact CG-CZ 3.76Å; K58-N212 WeakPolarHBondContact CG-ND2 3.45Å; K58-N212 WeakPolarHBondContact CG-OD1 3.28Å
59	I	97.8	Very high	94.9	Very high	1 Å²	1	16 Å²	16	1%	0.005	8%	0.083	C	C	.	.	H	α-helix	trans	-58.6	-42.7	171.2	-63.6	-50.8	0	0	0	110.8	W40 P55 M56 D61 F62 L63 V69 I71 L105 F183	W40-I59 HydrophobicContact CB-CD1 3.87Å; W40-I59 HydrophobicContact CG-CD1 4.34Å; P55-I59 WeakPolarHBondContact O-CG1 3.41Å; P55-I59 PolarHBondContact O-N 2.92Å; M56-I59 HydrophobicContact CE-CB 4.4Å; M56-I59 HydrophobicContact CE-CG1 3.7Å; M56-I59 PolarHBondContact O-N 2.67Å; I59-D61 VanDerWaalsContact C-N 3.34Å; I59-D61 PolarHBondContact O-N 3.08Å; I59-F62 HydrophobicContact CD1-CD2 3.9Å; I59-F62 HydrophobicContact CD1-CE2 4.12Å; I59-F62 PolarHBondContact O-N 2.94Å; I59-L63 HydrophobicContact CG2-CD1 3.97Å; I59-L63 HydrophobicContact CG2-CG 4.47Å; I59-L63 WeakPolarHBondContact O-CG 3.25Å; I59-L63 PolarHBondContact O-N 2.7Å; I59-V69 HydrophobicContact CD1-CG1 3.98Å; I59-V69 HydrophobicContact CG2-CG1 4.11Å; I59-I71 HydrophobicContact CG1-CD1 4.42Å; I59-I71 HydrophobicContact CG2-CD1 4.37Å; I59-L105 HydrophobicContact CB-CD2 4.27Å; I59-L105 HydrophobicContact CG2-CD1 4.02Å; I59-L105 HydrophobicContact CG2-CD2 3.87Å; I59-F183 HydrophobicContact CD1-CD1 4.11Å; I59-F183 HydrophobicContact CD1-CE1 4.45Å
60	A	96	Very high	95.3	Very high	2 Å²	2	15.1 Å²	15.1	2%	0.017	8%	0.08	C	C	.	.	H	α-helix	trans	-61	-41.2	174.2	0	0	0	0	0	112.1	M56 S57 K58 L63 K64 L105 I108 V110	M56-A60 WeakPolarHBondContact O-CB 3.36Å; M56-A60 PolarHBondContact O-N 3.41Å; S57-A60 WeakPolarHBondContact O-CB 3.47Å; S57-A60 PolarHBondContact O-N 2.84Å; K58-A60 VanDerWaalsContact C-N 3.26Å; K58-A60 PolarHBondContact O-N 3.04Å; A60-L63 PolarHBondContact O-N 3.03Å; A60-K64 WeakPolarHBondContact O-CB 3.47Å; A60-K64 VanDerWaalsContact O-CG 3.25Å; A60-K64 WeakPolarHBondContact O-CG 2.92Å; A60-K64 PolarHBondContact O-N 3.32Å; A60-L105 HydrophobicContact CB-CD2 4.46Å; A60-I108 HydrophobicContact CB-CD1 4.47Å; A60-I108 HydrophobicContact CB-CG2 3.75Å; A60-V110 HydrophobicContact CB-CG1 3.71Å; A60-V110 HydrophobicContact CB-CG2 4.16Å
61	D	95.7	Very high	95.7	Very high	3 Å²	3	15 Å²	15	2%	0.016	8%	0.079	C	C	.	.	H	α-helix	trans	-61.4	-44	173.3	-73.5	-9.3	0	0	0	112.3	L13 R16 S57 K58 I59 K64 A65	L13-D61 WeakPolarHBondContact O-CB 3.31Å; R16-D61 IonicContact CZ-OD1 2.88Å; R16-D61 IonicContact CZ-OD2 2.7Å; R16-D61 IonicContact NE-OD1 3.7Å; R16-D61 PolarHBondContact NE-OD1 2.85Å; R16-D61 IonicContact NE-OD2 2.72Å; R16-D61 PolarHBondContact NE-OD2 2.71Å; R16-D61 IonicContact NH2-OD1 2.9Å; R16-D61 PolarHBondContact NH2-OD1 3.26Å; R16-D61 IonicContact NH2-OD2 3.41Å; S57-D61 PolarHBondContact O-N 2.91Å; K58-D61 IonicContact NZ-OD2 2.79Å; K58-D61 PolarHBondContact NZ-OD2 3.37Å; K58-D61 WeakPolarHBondContact O-CB 3.49Å; K58-D61 PolarHBondContact O-N 3.21Å; K58-D61 VanDerWaalsContact O-N 3.12Å; I59-D61 VanDerWaalsContact C-N 3.34Å; I59-D61 PolarHBondContact O-N 3.08Å; D61-K64 PolarHBondContact O-N 2.94Å; D61-A65 WeakPolarHBondContact O-CB 3.36Å; D61-A65 PolarHBondContact O-N 2.95Å
62	F	97.6	Very high	96.2	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-63.2	-43.8	178.2	-56.4	-32.6	0	0	0	111.7	I14 I38 K58 I59 A65 G66 C67 V69 F183 L210	I14-F62 HydrophobicContact CB-CD1 4.39Å; I14-F62 HydrophobicContact CB-CE1 4.39Å; I14-F62 HydrophobicContact CG1-CD1 4.15Å; I14-F62 HydrophobicContact CG2-CD1 4.28Å; I14-F62 HydrophobicContact CG2-CE1 3.96Å; I38-F62 HydrophobicContact CD1-CD2 4.06Å; I38-F62 HydrophobicContact CD1-CE1 4.23Å; I38-F62 HydrophobicContact CD1-CE2 3.73Å; I38-F62 HydrophobicContact CD1-CG 4.48Å; I38-F62 HydrophobicContact CD1-CZ 3.82Å; I38-F62 HydrophobicContact CG2-CB 4.32Å; I38-F62 HydrophobicContact CG2-CD2 4.09Å; I38-F62 HydrophobicContact CG2-CG 4.29Å; K58-F62 HydrophobicContact CB-CE2 4.19Å; K58-F62 HydrophobicContact CB-CZ 4.12Å; K58-F62 VanDerWaalsContact O-CD2 3.25Å; K58-F62 WeakPolarHBondContact O-CD2 3.49Å; K58-F62 WeakPolarHBondContact O-CG 3.19Å; K58-F62 PolarHBondContact O-N 2.78Å; I59-F62 HydrophobicContact CD1-CD2 3.9Å; I59-F62 HydrophobicContact CD1-CE2 4.12Å; I59-F62 PolarHBondContact O-N 2.94Å; F62-A65 PolarHBondContact O-N 3.24Å; F62-G66 PolarHBondContact O-N 3.39Å; F62-C67 HydrophobicContact CB-CB 4.05Å; F62-C67 VanDerWaalsContact O-CB 3.25Å; F62-C67 WeakPolarHBondContact O-CB 3.36Å; F62-C67 PolarHBondContact O-N 2.92Å; F62-C67 PolarHBondContact O-SG 2.95Å; F62-C67 VanDerWaalsContact O-SG 3.39Å; F62-V69 HydrophobicContact CB-CG2 3.71Å; F62-F183 HydrophobicContact CE2-CB 3.81Å; F62-F183 AromaticContact CE2-CD1 3.83Å; F62-F183 HydrophobicContact CE2-CD1 3.83Å; F62-F183 HydrophobicContact CE2-CD2 4.11Å; F62-F183 HydrophobicContact CE2-CE1 4.44Å; F62-F183 AromaticContact CE2-CG 3.64Å; F62-F183 HydrophobicContact CE2-CG 3.64Å; F62-F183 HydrophobicContact CZ-CB 4.11Å; F62-F183 HydrophobicContact CZ-CD1 4.43Å; F62-F183 AromaticContact CZ-CD2 3.89Å; F62-F183 HydrophobicContact CZ-CD2 3.89Å; F62-F183 HydrophobicContact CZ-CE2 4.45Å; F62-F183 AromaticContact CZ-CG 3.89Å; F62-F183 HydrophobicContact CZ-CG 3.89Å; F62-L210 HydrophobicContact CE1-CD1 3.8Å; F62-L210 HydrophobicContact CZ-CD1 3.85Å
63	L	96.7	Very high	96.4	Very high	10 Å²	10	12 Å²	12	5%	0.052	6%	0.063	C	C	.	.	H	α-helix	trans	-63.6	-41.8	176.2	-69.8	167.9	0	0	0	111.5	I59 A60 A65 G66 V69 L105 V110 L112 K114 L115	I59-L63 HydrophobicContact CG2-CD1 3.97Å; I59-L63 HydrophobicContact CG2-CG 4.47Å; I59-L63 WeakPolarHBondContact O-CG 3.25Å; I59-L63 PolarHBondContact O-N 2.7Å; A60-L63 PolarHBondContact O-N 3.03Å; L63-A65 VanDerWaalsContact C-N 3.32Å; L63-A65 PolarHBondContact O-N 3.47Å; L63-G66 PolarHBondContact O-N 2.96Å; L63-V69 HydrophobicContact CD2-CB 4.04Å; L63-V69 HydrophobicContact CD2-CG2 3.76Å; L63-V69 HydrophobicContact CG-CB 4.49Å; L63-V69 HydrophobicContact CG-CG2 3.96Å; L63-L105 HydrophobicContact CD1-CD1 4.4Å; L63-V110 HydrophobicContact CD1-CG2 4.04Å; L63-L112 HydrophobicContact CD1-CD2 4.3Å; L63-K114 HydrophobicContact CD2-CB 4.39Å; L63-L115 HydrophobicContact CD2-CB 4.19Å
64	K	94.4	Very high	96.4	Very high	80 Å²	80	12.4 Å²	12.4	35%	0.348	7%	0.066	S	C	.	.	H	α-helix	trans	-64.1	-34.7	174.6	-74.2	174.8	-177.5	-178.5	0	112.8	L13 A60 D61 G66 V110	L13-K64 HydrophobicContact CD1-CB 4.47Å; A60-K64 WeakPolarHBondContact O-CB 3.47Å; A60-K64 VanDerWaalsContact O-CG 3.25Å; A60-K64 WeakPolarHBondContact O-CG 2.92Å; A60-K64 PolarHBondContact O-N 3.32Å; D61-K64 PolarHBondContact O-N 2.94Å; K64-G66 PolarHBondContact O-N 3.46Å; K64-V110 HydrophobicContact CD-CG1 4.17Å; K64-V110 VanDerWaalsContact CE-CG1 3.47Å; K64-V110 HydrophobicContact CG-CG1 3.85Å
65	A	95.3	Very high	96.3	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	6%	0.063	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73	-7.7	174.4	0	0	0	0	0	113.1	K10 L13 I14 D61 F62 L63	K10-A65 HydrophobicContact CB-CB 4.35Å; K10-A65 WeakPolarHBondContact CD-O 3.34Å; K10-A65 VanDerWaalsContact CE-O 3.27Å; K10-A65 WeakPolarHBondContact CE-O 3.27Å; K10-A65 HydrophobicContact CG-CB 4.36Å; K10-A65 WeakPolarHBondContact CG-O 3.46Å; L13-A65 HydrophobicContact CB-CB 4.1Å; L13-A65 HydrophobicContact CD1-CB 4.25Å; I14-A65 HydrophobicContact CD1-CB 4.33Å; I14-A65 HydrophobicContact CG1-CB 3.99Å; D61-A65 WeakPolarHBondContact O-CB 3.36Å; D61-A65 PolarHBondContact O-N 2.95Å; F62-A65 PolarHBondContact O-N 3.24Å; L63-A65 VanDerWaalsContact C-N 3.32Å; L63-A65 PolarHBondContact O-N 3.47Å
66	G	95.8	Very high	95.9	Very high	13 Å²	13	11.9 Å²	11.9	13%	0.134	6%	0.062	C	C	.	.	T	Hydrogen-bonded Turn	trans	90	8.2	179.1	0	0	0	0	0	114.9	E35 F62 L63 K64 K114	E35-G66 WeakPolarHBondContact CG-O 3.44Å; F62-G66 PolarHBondContact O-N 3.39Å; L63-G66 PolarHBondContact O-N 2.96Å; K64-G66 PolarHBondContact O-N 3.46Å; G66-K114 VanDerWaalsContact O-CD 3.29Å; G66-K114 WeakPolarHBondContact O-CD 3.42Å; G66-K114 PolarHBondContact O-NZ 2.85Å
67	C	97.8	Very high	95.3	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.062	C	C	.	.			trans	-62.5	150.1	179.4	-57.6	0	0	0	0	112.2	L36 I38 F62 V69 K114	L36-C67 VanDerWaalsContact O-CA 3.31Å; L36-C67 WeakPolarHBondContact O-CA 3.33Å; L36-C67 WeakPolarHBondContact O-CB 3.36Å; I38-C67 HydrophobicContact CG2-CB 4.21Å; F62-C67 HydrophobicContact CB-CB 4.05Å; F62-C67 VanDerWaalsContact O-CB 3.25Å; F62-C67 WeakPolarHBondContact O-CB 3.36Å; F62-C67 PolarHBondContact O-N 2.92Å; F62-C67 PolarHBondContact O-SG 2.95Å; F62-C67 VanDerWaalsContact O-SG 3.39Å; C67-V69 HydrophobicContact CB-CG2 4.11Å; C67-K114 WeakPolarHBondContact O-CB 3.34Å
68	E	98.3	Very high	94.7	Very high	85 Å²	85	11.8 Å²	11.8	40%	0.397	6%	0.061	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	112.6	162.9	-68	175.3	-150.2	0	0	108.1	L36 K37 I38	L36-E68 PolarHBondContact O-N 3.28Å; K37-E68 WeakPolarHBondContact CA-O 3.2Å; K37-E68 WeakPolarHBondContact CE-OE2 3.49Å; K37-E68 HydrophobicContact CG-CB 4.16Å; K37-E68 IonicContact NZ-OE2 2.78Å; I38-E68 PolarHBondContact N-O 3.35Å
69	V	98.7	Very high	93.9	Very high	1 Å²	1	15 Å²	15	1%	0.006	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	121.5	-173.2	-176.7	0	0	0	0	110	I38 I59 F62 L63 C67 K114 L115 K116	I38-V69 HydrophobicContact CG2-CB 4.39Å; I38-V69 HydrophobicContact CG2-CG1 4.41Å; I38-V69 HydrophobicContact CG2-CG2 3.86Å; I38-V69 CarbonylContact O-C 3.44Å; I38-V69 WeakPolarHBondContact O-CA 3.31Å; I59-V69 HydrophobicContact CD1-CG1 3.98Å; I59-V69 HydrophobicContact CG2-CG1 4.11Å; F62-V69 HydrophobicContact CB-CG2 3.71Å; L63-V69 HydrophobicContact CD2-CB 4.04Å; L63-V69 HydrophobicContact CD2-CG2 3.76Å; L63-V69 HydrophobicContact CG-CB 4.49Å; L63-V69 HydrophobicContact CG-CG2 3.96Å; C67-V69 HydrophobicContact CB-CG2 4.11Å; V69-K114 PolarHBondContact N-O 3.08Å; V69-L115 HydrophobicContact CB-CD1 4.16Å; V69-L115 HydrophobicContact CG1-CD1 4.02Å; V69-L115 CarbonylContact O-C 3.54Å; V69-L115 WeakPolarHBondContact O-CA 3.3Å; V69-K116 PolarHBondContact O-N 3.48Å
70	T	98.8	Very high	92.8	Very high	14 Å²	14	16.6 Å²	16.6	9%	0.086	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	127	171.2	-60.6	0	0	0	0	110.3	I38 Y39 W40 K116 I118 L177	I38-T70 PolarHBondContact O-N 2.94Å; Y39-T70 CarbonylContact C-O 3.53Å; Y39-T70 WeakPolarHBondContact CA-O 3.33Å; Y39-T70 VanDerWaalsContact CB-O 3.3Å; Y39-T70 WeakPolarHBondContact CB-O 3.48Å; W40-T70 PolarHBondContact N-O 3.05Å; T70-K116 CarbonylContact C-O 3.59Å; T70-K116 WeakPolarHBondContact CA-O 3.45Å; T70-I118 HydrophobicContact CG2-CB 4.36Å; T70-I118 HydrophobicContact CG2-CD1 3.74Å; T70-I118 HydrophobicContact CG2-CG1 3.98Å; T70-L177 HydrophobicContact CG2-CD2 4.21Å
71	I	98.6	Very high	91.6	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	117.2	167.1	-62.2	-174.4	0	0	0	107.9	W40 T42 M56 I59 F73 I101 L115 K116 F117 I118	W40-I71 HydrophobicContact CE3-CB 4.47Å; W40-I71 HydrophobicContact CE3-CD1 3.85Å; W40-I71 HydrophobicContact CE3-CG1 3.99Å; W40-I71 HydrophobicContact CE3-CG2 3.82Å; W40-I71 HydrophobicContact CZ3-CD1 4.12Å; W40-I71 HydrophobicContact CZ3-CG2 4Å; W40-I71 WeakPolarHBondContact O-CA 3.4Å; T42-I71 HydrophobicContact CG2-CG2 3.91Å; M56-I71 HydrophobicContact CE-CD1 4.31Å; I59-I71 HydrophobicContact CG1-CD1 4.42Å; I59-I71 HydrophobicContact CG2-CD1 4.37Å; I71-F73 HydrophobicContact CG2-CE1 4.15Å; I71-F73 HydrophobicContact CG2-CZ 4.1Å; I71-I101 HydrophobicContact CD1-CG2 3.72Å; I71-I101 HydrophobicContact CG2-CD1 4.3Å; I71-L115 HydrophobicContact CD1-CD1 4Å; I71-L115 HydrophobicContact CG1-CD1 3.99Å; I71-K116 PolarHBondContact N-O 3.42Å; I71-F117 HydrophobicContact CB-CD1 3.91Å; I71-F117 HydrophobicContact CB-CE1 4.04Å; I71-F117 HydrophobicContact CD1-CE1 4.09Å; I71-F117 HydrophobicContact CG1-CE1 4.34Å; I71-I118 PolarHBondContact O-N 2.91Å; I71-I118 VanDerWaalsContact O-N 3.14Å
72	L	98.4	Very high	90	Very high	2 Å²	2	21.6 Å²	21.6	1%	0.01	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	114.4	176	177.5	67.8	0	0	0	109.1	Y39 W40 T42 A74 I118 Y123 D173 L177	Y39-L72 HydrophobicContact CD2-CB 4.16Å; Y39-L72 HydrophobicContact CE2-CD2 4.26Å; W40-L72 PolarHBondContact O-N 3.01Å; T42-L72 PolarHBondContact N-O 3.02Å; L72-A74 PolarHBondContact O-N 2.89Å; L72-I118 WeakPolarHBondContact CA-O 3.45Å; L72-I118 HydrophobicContact CD1-CG2 4.26Å; L72-Y123 HydrophobicContact CD1-CE1 4Å; L72-D173 HydrophobicContact CD2-CB 4.13Å; L72-D173 VanDerWaalsContact CD2-OD2 3.3Å; L72-D173 WeakPolarHBondContact CD2-OD2 3.41Å; L72-L177 HydrophobicContact CB-CD1 4.27Å; L72-L177 HydrophobicContact CD2-CD1 4.25Å
73	F	97	Very high	88.3	Confident	1 Å²	1	27 Å²	27	0%	0.004	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	97.7	166.1	-62.3	-66.3	0	0	0	108.5	T42 T44 I71 D75 V94 E98 I101 F117 I118 G120	T42-F73 HydrophobicContact CG2-CD1 3.95Å; T42-F73 HydrophobicContact CG2-CE1 4.11Å; T44-F73 HydrophobicContact CG2-CB 4.11Å; T44-F73 HydrophobicContact CG2-CD1 3.93Å; T44-F73 HydrophobicContact CG2-CG 4.47Å; I71-F73 HydrophobicContact CG2-CE1 4.15Å; I71-F73 HydrophobicContact CG2-CZ 4.1Å; F73-D75 PolarHBondContact O-N 2.9Å; F73-V94 HydrophobicContact CB-CG1 3.85Å; F73-V94 HydrophobicContact CB-CG2 4.35Å; F73-V94 HydrophobicContact CD2-CG1 4.16Å; F73-V94 HydrophobicContact CG-CG1 3.94Å; F73-E98 HydrophobicContact CE2-CB 4.06Å; F73-E98 HydrophobicContact CE2-CG 3.99Å; F73-E98 HydrophobicContact CZ-CB 3.92Å; F73-E98 HydrophobicContact CZ-CG 4.15Å; F73-I101 HydrophobicContact CE1-CD1 3.79Å; F73-I101 HydrophobicContact CZ-CD1 4.22Å; F73-F117 HydrophobicContact CD2-CB 4.48Å; F73-F117 HydrophobicContact CE2-CB 3.79Å; F73-F117 AromaticContact CE2-CD1 3.9Å; F73-F117 HydrophobicContact CE2-CD1 3.9Å; F73-F117 HydrophobicContact CE2-CD2 4.26Å; F73-F117 AromaticContact CE2-CG 3.72Å; F73-F117 HydrophobicContact CE2-CG 3.72Å; F73-F117 HydrophobicContact CZ-CD1 4.12Å; F73-F117 HydrophobicContact CZ-CE1 4.34Å; F73-F117 HydrophobicContact CZ-CG 4.25Å; F73-I118 PolarHBondContact N-O 3.41Å; F73-G120 PolarHBondContact O-N 3.28Å
74	A	92.4	Very high	86.3	Confident	7 Å²	7	35.8 Å²	35.8	6%	0.058	17%	0.173	C	C	.	.			trans	-79.9	67.3	-174.4	0	0	0	0	0	110.1	T42 L72 H77 A78	T42-A74 PolarHBondContact O-N 3.32Å; L72-A74 PolarHBondContact O-N 2.89Å; A74-H77 HydrophobicContact CB-CB 3.78Å; A74-H77 PolarHBondContact O-N 3.36Å; A74-A78 WeakPolarHBondContact O-CB 3.34Å; A74-A78 PolarHBondContact O-N 2.93Å
75	D	90	Very high	85	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-70.3	-40.4	-177.4	63.8	-34.7	0	0	0	112.6	F73 H77 A78 Y79 V94 G120 T121	F73-D75 PolarHBondContact O-N 2.9Å; D75-H77 VanDerWaalsContact C-N 3.33Å; D75-A78 WeakPolarHBondContact O-CB 3.4Å; D75-A78 PolarHBondContact O-N 2.75Å; D75-Y79 PolarHBondContact O-N 3.12Å; D75-V94 HydrophobicContact CB-CG2 3.71Å; D75-G120 WeakPolarHBondContact OD1-CA 3.36Å; D75-G120 PolarHBondContact OD1-N 3.03Å; D75-T121 PolarHBondContact OD1-N 3.47Å; D75-T121 WeakPolarHBondContact OD2-CB 3.44Å; D75-T121 WeakPolarHBondContact OD2-CG2 3.45Å; D75-T121 PolarHBondContact OD2-OG1 3.43Å
76	L	88.1	Confident	84.2	Confident	21 Å²	21	34 Å²	34	11%	0.11	17%	0.169	C	C	.	.	H	α-helix	trans	-61.5	-43.3	170.1	-179.7	61.1	0	0	0	111.1	Y79 L80 W87 T121 Q124 L125	L76-Y79 WeakPolarHBondContact O-CB 3.37Å; L76-Y79 PolarHBondContact O-N 3.03Å; L76-L80 HydrophobicContact CG-CD1 4.21Å; L76-L80 VanDerWaalsContact O-CG 3.28Å; L76-L80 WeakPolarHBondContact O-CG 3.49Å; L76-L80 PolarHBondContact O-N 3.09Å; L76-W87 HydrophobicContact CD1-CH2 3.96Å; L76-T121 HydrophobicContact CB-CG2 4.2Å; L76-Q124 HydrophobicContact CD2-CB 3.8Å; L76-L125 HydrophobicContact CD2-CD2 4.19Å
77	H	83	Confident	83.3	Confident	3 Å²	3	38.2 Å²	38.2	1%	0.014	18%	0.182	C	C	.	.	H	α-helix	trans	-63.6	-42.3	175.6	-67.5	84.1	0	0	0	111.4	A74 D75 Y79 L80 D81 Q124 Y166 L169 D173	A74-H77 HydrophobicContact CB-CB 3.78Å; A74-H77 PolarHBondContact O-N 3.36Å; D75-H77 VanDerWaalsContact C-N 3.33Å; H77-Y79 VanDerWaalsContact C-N 3.26Å; H77-Y79 PolarHBondContact O-N 3.21Å; H77-L80 PolarHBondContact O-N 3.14Å; H77-L80 VanDerWaalsContact O-N 3.11Å; H77-D81 WeakPolarHBondContact O-CB 3.38Å; H77-D81 PolarHBondContact O-N 2.8Å; H77-Q124 PolarHBondContact CE1-NE2 2.9Å; H77-Q124 VanDerWaalsContact CE1-NE2 3.29Å; H77-Y166 HydrophobicContact CB-CE2 3.94Å; H77-Y166 AromaticContact CD2-CD2 3.62Å; H77-Y166 AromaticContact CD2-CE2 3.47Å; H77-Y166 VanDerWaalsContact CD2-CE2 3.47Å; H77-Y166 WeakPolarHBondContact CD2-CE2 3.37Å; H77-Y166 AromaticContact CD2-CZ 3.86Å; H77-L169 VanDerWaalsContact NE2-CB 3.32Å; H77-L169 WeakPolarHBondContact NE2-CB 3.44Å; H77-D173 IonicContact CE1-OD2 3.78Å; H77-D173 PolarHBondContact CE1-OD2 3.14Å
78	A	80.8	Confident	82.6	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-59.3	-37.5	175.2	0	0	0	0	0	112.3	T45 A74 D75 N82 L90	T45-A78 HydrophobicContact CG2-CB 3.6Å; A74-A78 WeakPolarHBondContact O-CB 3.34Å; A74-A78 PolarHBondContact O-N 2.93Å; D75-A78 WeakPolarHBondContact O-CB 3.4Å; D75-A78 PolarHBondContact O-N 2.75Å; A78-N82 WeakPolarHBondContact O-CB 3.34Å; A78-N82 PolarHBondContact O-N 2.73Å; A78-L90 HydrophobicContact CB-CD2 4Å
79	Y	80.9	Confident	82.1	Confident	71 Å²	71	40.1 Å²	40.1	28%	0.278	19%	0.191	S	C	.	.	H	α-helix	trans	-65.5	-47.4	171.9	177.9	-101.7	0	0	0	112	D75 L76 H77 D81 N82 M83 W87 L90	D75-Y79 PolarHBondContact O-N 3.12Å; L76-Y79 WeakPolarHBondContact O-CB 3.37Å; L76-Y79 PolarHBondContact O-N 3.03Å; H77-Y79 VanDerWaalsContact C-N 3.26Å; H77-Y79 PolarHBondContact O-N 3.21Å; Y79-D81 VanDerWaalsContact C-N 3.34Å; Y79-D81 PolarHBondContact O-N 3.37Å; Y79-N82 CarbonylContact O-C 3.58Å; Y79-N82 PolarHBondContact O-N 2.95Å; Y79-M83 WeakPolarHBondContact O-CA 3.31Å; Y79-M83 WeakPolarHBondContact O-CG 3.33Å; Y79-M83 PolarHBondContact O-N 2.86Å; Y79-M83 VanDerWaalsContact O-N 3.09Å; Y79-W87 HydrophobicContact CD1-CH2 4.22Å; Y79-W87 AromaticContact CD1-CZ2 3.75Å; Y79-W87 HydrophobicContact CD1-CZ2 3.75Å; Y79-W87 AromaticContact CD2-CE2 3.93Å; Y79-W87 AromaticContact CD2-CZ2 3.95Å; Y79-W87 HydrophobicContact CD2-CZ2 3.95Å; Y79-W87 AromaticContact CE1-CZ2 3.99Å; Y79-W87 HydrophobicContact CE1-CZ2 3.99Å; Y79-W87 AromaticContact CE2-CE2 4Å; Y79-W87 HydrophobicContact CE2-CZ2 4.18Å; Y79-W87 AromaticContact CE2-NE1 3.71Å; Y79-W87 HydrophobicContact CG-CH2 4.06Å; Y79-W87 AromaticContact CG-CZ2 3.72Å; Y79-W87 HydrophobicContact CG-CZ2 3.72Å; Y79-L90 HydrophobicContact CD2-CD1 4.13Å; Y79-L90 HydrophobicContact CG-CD1 4.39Å
80	L	75.4	Confident	81.5	Confident	36 Å²	36	40.1 Å²	40.1	19%	0.188	19%	0.191	C	C	.	.	H	α-helix	trans	-65.2	-34.3	-178.8	-69.7	174.8	0	0	0	113.3	L76 H77 S162 L169	L76-L80 HydrophobicContact CG-CD1 4.21Å; L76-L80 VanDerWaalsContact O-CG 3.28Å; L76-L80 WeakPolarHBondContact O-CG 3.49Å; L76-L80 PolarHBondContact O-N 3.09Å; H77-L80 PolarHBondContact O-N 3.14Å; H77-L80 VanDerWaalsContact O-N 3.11Å; L80-S162 PolarHBondContact O-OG 3.06Å; L80-L169 HydrophobicContact CD1-CD1 3.64Å
81	D	69.2	Low	81.1	Confident	52 Å²	52	43 Å²	43	28%	0.278	20%	0.204	S	C	.	.	H	α-helix	trans	-82.7	-30.8	177.9	-73.4	-18	0	0	0	112.8	H77 Y79 Y166	H77-D81 WeakPolarHBondContact O-CB 3.38Å; H77-D81 PolarHBondContact O-N 2.8Å; Y79-D81 VanDerWaalsContact C-N 3.34Å; Y79-D81 PolarHBondContact O-N 3.37Å; D81-Y166 WeakPolarHBondContact OD1-CD2 3.07Å; D81-Y166 WeakPolarHBondContact OD2-CE2 3.35Å
82	N	61.9	Low	80.8	Confident	58 Å²	58	46.1 Å²	46.1	31%	0.31	22%	0.22	S	C	.	.			trans	-143.1	72	-173.4	-169.1	9.7	0	0	0	111.6	T45 A78 Y79 K84 A85	T45-N82 HydrophobicContact CG2-CB 4.28Å; A78-N82 WeakPolarHBondContact O-CB 3.34Å; A78-N82 PolarHBondContact O-N 2.73Å; Y79-N82 CarbonylContact O-C 3.58Å; Y79-N82 PolarHBondContact O-N 2.95Å; N82-K84 PolarHBondContact O-N 3.32Å; N82-A85 PolarHBondContact O-N 3.48Å
83	M	61.7	Low	80.6	Confident	114 Å²	114	47.8 Å²	47.8	56%	0.562	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.8	6.2	178.3	-59	-176.3	-63.6	0	0	115.1	Y79 L160	Y79-M83 WeakPolarHBondContact O-CA 3.31Å; Y79-M83 WeakPolarHBondContact O-CG 3.33Å; Y79-M83 PolarHBondContact O-N 2.86Å; Y79-M83 VanDerWaalsContact O-N 3.09Å; M83-L160 HydrophobicContact CE-CD1 3.27Å; M83-L160 HydrophobicContact SD-CD1 4.25Å
84	K	56.5	Low	80.5	Confident	194 Å²	194	47.8 Å²	47.8	84%	0.843	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.2	-14.5	177.5	-61.4	-173.9	177.9	-176.5	0	113.2	N82	N82-K84 PolarHBondContact O-N 3.32Å
85	A	65.4	Low	80.6	Confident	7 Å²	7	49.4 Å²	49.4	6%	0.058	24%	0.237	C	C	.	.	S	Bend	trans	-93.7	122	178.8	0	0	0	0	0	110.9	N82 L89 L90	N82-A85 PolarHBondContact O-N 3.48Å; A85-L89 HydrophobicContact CB-CD2 4.32Å; A85-L90 HydrophobicContact CB-CD2 3.91Å; A85-L90 HydrophobicContact CB-CG 4.17Å
86	P	78.9	Confident	81	Confident	34 Å²	34	49.4 Å²	49.4	22%	0.221	24%	0.237	C	C	.	.			trans	-59.5	151.9	170.9	-22.4	32.9	0	0	0	111.9	E88 L89 L90 K352	P86-E88 PolarHBondContact O-N 3.25Å; P86-L89 HydrophobicContact CB-CB 4.49Å; P86-L89 WeakPolarHBondContact O-CA 3.35Å; P86-L89 WeakPolarHBondContact O-CB 3.49Å; P86-L89 PolarHBondContact O-N 3.24Å; P86-L90 PolarHBondContact O-N 3.05Å; P86-K352 HydrophobicContact CB-CB 3.99Å; P86-K352 HydrophobicContact CG-CB 4.08Å
87	W	78.1	Confident	81.4	Confident	103 Å²	103	48.7 Å²	48.7	39%	0.39	23%	0.233	S	C	.	.	H	α-helix	trans	-55	-38.2	178.7	-76.5	103.1	0	0	0	113.3	L76 Y79 L89 L90 E91 T121	L76-W87 HydrophobicContact CD1-CH2 3.96Å; Y79-W87 HydrophobicContact CD1-CH2 4.22Å; Y79-W87 AromaticContact CD1-CZ2 3.75Å; Y79-W87 HydrophobicContact CD1-CZ2 3.75Å; Y79-W87 AromaticContact CD2-CE2 3.93Å; Y79-W87 AromaticContact CD2-CZ2 3.95Å; Y79-W87 HydrophobicContact CD2-CZ2 3.95Å; Y79-W87 AromaticContact CE1-CZ2 3.99Å; Y79-W87 HydrophobicContact CE1-CZ2 3.99Å; Y79-W87 AromaticContact CE2-CE2 4Å; Y79-W87 HydrophobicContact CE2-CZ2 4.18Å; Y79-W87 AromaticContact CE2-NE1 3.71Å; Y79-W87 HydrophobicContact CG-CH2 4.06Å; Y79-W87 AromaticContact CG-CZ2 3.72Å; Y79-W87 HydrophobicContact CG-CZ2 3.72Å; W87-L89 VanDerWaalsContact C-N 3.28Å; W87-L89 PolarHBondContact O-N 3.23Å; W87-L90 HydrophobicContact CD2-CD1 4.41Å; W87-L90 HydrophobicContact CE3-CD1 4.02Å; W87-L90 HydrophobicContact CZ3-CD1 4.32Å; W87-L90 WeakPolarHBondContact O-CB 3.24Å; W87-L90 PolarHBondContact O-N 3.23Å; W87-E91 PolarHBondContact O-N 3.31Å; W87-E91 VanDerWaalsContact O-N 3.11Å; W87-T121 HydrophobicContact CH2-CG2 4.41Å; W87-T121 HydrophobicContact CZ3-CG2 3.94Å
88	E	83.3	Confident	82.1	Confident	92 Å²	92	51.9 Å²	51.9	43%	0.43	25%	0.248	S	C	.	.	H	α-helix	trans	-67.5	-31.8	177.7	-58.7	78.8	-179.6	0	0	112.2	P86 L92 K352	P86-E88 PolarHBondContact O-N 3.25Å; E88-L92 WeakPolarHBondContact O-CG 3.39Å; E88-L92 PolarHBondContact O-N 2.96Å; E88-K352 VanDerWaalsContact CD-CD 3.45Å; E88-K352 HydrophobicContact CG-CD 4.43Å; E88-K352 WeakPolarHBondContact OE1-CD 3.2Å; E88-K352 IonicContact OE1-NZ 3.96Å; E88-K352 PolarHBondContact OE1-NZ 2.98Å; E88-K352 WeakPolarHBondContact OE2-CD 3.27Å; E88-K352 IonicContact OE2-NZ 3.3Å
89	L	86.9	Confident	82.9	Confident	33 Å²	33	53.7 Å²	53.7	17%	0.173	26%	0.258	C	S	.	.	H	α-helix	trans	-73.2	-35.3	175	-175.6	62.3	0	0	0	111.1	A85 P86 W87 L92 R93 A339 A340	A85-L89 HydrophobicContact CB-CD2 4.32Å; P86-L89 HydrophobicContact CB-CB 4.49Å; P86-L89 WeakPolarHBondContact O-CA 3.35Å; P86-L89 WeakPolarHBondContact O-CB 3.49Å; P86-L89 PolarHBondContact O-N 3.24Å; W87-L89 VanDerWaalsContact C-N 3.28Å; W87-L89 PolarHBondContact O-N 3.23Å; L89-L92 PolarHBondContact O-N 2.94Å; L89-R93 WeakPolarHBondContact O-CG 3.41Å; L89-R93 PolarHBondContact O-N 3.08Å; L89-A339 WeakPolarHBondContact CD1-O 3.35Å; L89-A340 WeakPolarHBondContact CD1-O 3.12Å
90	L	85.8	Confident	83.6	Confident	1 Å²	1	50.3 Å²	50.3	1%	0.005	25%	0.245	C	C	.	.	H	α-helix	trans	-61.3	-45.2	174.8	-69.1	173	0	0	0	110.9	A78 Y79 A85 P86 W87 L92 R93 V94	A78-L90 HydrophobicContact CB-CD2 4Å; Y79-L90 HydrophobicContact CD2-CD1 4.13Å; Y79-L90 HydrophobicContact CG-CD1 4.39Å; A85-L90 HydrophobicContact CB-CD2 3.91Å; A85-L90 HydrophobicContact CB-CG 4.17Å; P86-L90 PolarHBondContact O-N 3.05Å; W87-L90 HydrophobicContact CD2-CD1 4.41Å; W87-L90 HydrophobicContact CE3-CD1 4.02Å; W87-L90 HydrophobicContact CZ3-CD1 4.32Å; W87-L90 WeakPolarHBondContact O-CB 3.24Å; W87-L90 PolarHBondContact O-N 3.23Å; L90-L92 PolarHBondContact O-N 3.01Å; L90-R93 CarbonylContact O-C 3.54Å; L90-R93 PolarHBondContact O-N 2.93Å; L90-R93 VanDerWaalsContact O-N 3.11Å; L90-V94 VanDerWaalsContact O-CG2 3.27Å; L90-V94 WeakPolarHBondContact O-CG2 3.44Å; L90-V94 PolarHBondContact O-N 3.07Å
91	E	89.9	Confident	84.7	Confident	75 Å²	75	48.6 Å²	48.6	35%	0.35	24%	0.236	S	C	.	.	H	α-helix	trans	-59.8	-43.1	175.5	-75.4	-60.3	149.8	0	0	112.9	W87 R93 V94 S95 K119	W87-E91 PolarHBondContact O-N 3.31Å; W87-E91 VanDerWaalsContact O-N 3.11Å; E91-R93 VanDerWaalsContact C-N 3.31Å; E91-R93 PolarHBondContact O-N 3.15Å; E91-V94 PolarHBondContact O-N 3.41Å; E91-S95 PolarHBondContact O-N 3.01Å; E91-K119 IonicContact OE2-NZ 3.35Å; E91-K119 PolarHBondContact OE2-NZ 2.99Å
92	L	93.9	Very high	86	Confident	65 Å²	65	50.3 Å²	50.3	34%	0.34	24%	0.24	S	C	.	.	H	α-helix	trans	-62.2	-39.8	174.7	-71.6	170.1	0	0	0	111.8	E88 L89 L90 S95 Y96 L336 A339 A340	E88-L92 WeakPolarHBondContact O-CG 3.39Å; E88-L92 PolarHBondContact O-N 2.96Å; L89-L92 PolarHBondContact O-N 2.94Å; L90-L92 PolarHBondContact O-N 3.01Å; L92-S95 PolarHBondContact O-N 3.37Å; L92-Y96 WeakPolarHBondContact O-CB 3.45Å; L92-Y96 PolarHBondContact O-N 3.14Å; L92-L336 HydrophobicContact CD2-CD1 3.95Å; L92-A339 HydrophobicContact CD1-CB 4.01Å; L92-A339 HydrophobicContact CD2-CB 4.43Å; L92-A340 HydrophobicContact CB-CB 4.13Å
93	R	93.3	Very high	87.7	Confident	37 Å²	37	47.7 Å²	47.7	14%	0.14	23%	0.227	C	C	.	.	H	α-helix	trans	-68.4	-42.9	176.1	-73.4	-178.9	-178.6	177.7	2.1	111.7	T44 T45 L89 L90 E91 S95 Y96 Y97 A340 Y341	T44-R93 WeakPolarHBondContact O-CB 3.48Å; T44-R93 VanDerWaalsContact O-CD 3.27Å; T44-R93 WeakPolarHBondContact O-CD 3.31Å; T45-R93 VanDerWaalsContact O-CZ 3.32Å; T45-R93 PolarHBondContact O-NH1 3.15Å; L89-R93 WeakPolarHBondContact O-CG 3.41Å; L89-R93 PolarHBondContact O-N 3.08Å; L90-R93 CarbonylContact O-C 3.54Å; L90-R93 PolarHBondContact O-N 2.93Å; L90-R93 VanDerWaalsContact O-N 3.11Å; E91-R93 VanDerWaalsContact C-N 3.31Å; E91-R93 PolarHBondContact O-N 3.15Å; R93-S95 VanDerWaalsContact C-N 3.31Å; R93-S95 PolarHBondContact O-N 2.81Å; R93-Y96 WeakPolarHBondContact O-CB 3.1Å; R93-Y96 PolarHBondContact O-N 2.85Å; R93-Y96 VanDerWaalsContact O-N 3.12Å; R93-Y97 WeakPolarHBondContact O-CB 3.47Å; R93-Y97 VanDerWaalsContact O-CD2 3.25Å; R93-Y97 WeakPolarHBondContact O-CD2 3.47Å; R93-Y97 PolarHBondContact O-N 2.88Å; R93-A340 HydrophobicContact CG-CB 4.11Å; R93-A340 PolarHBondContact NE-O 3.16Å; R93-A340 VanDerWaalsContact NE-O 3.14Å; R93-Y341 HydrophobicContact CG-CE1 4.28Å; R93-Y341 HydrophobicContact CG-CE2 4.45Å
94	V	94.5	Very high	89.4	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-55.3	-49.6	173.3	173.8	0	0	0	0	110.1	T44 F73 D75 L90 E91 Y96 Y97 E98 K119	T44-V94 HydrophobicContact CG2-CB 4.43Å; T44-V94 HydrophobicContact CG2-CG2 3.83Å; F73-V94 HydrophobicContact CB-CG1 3.85Å; F73-V94 HydrophobicContact CB-CG2 4.35Å; F73-V94 HydrophobicContact CD2-CG1 4.16Å; F73-V94 HydrophobicContact CG-CG1 3.94Å; D75-V94 HydrophobicContact CB-CG2 3.71Å; L90-V94 VanDerWaalsContact O-CG2 3.27Å; L90-V94 WeakPolarHBondContact O-CG2 3.44Å; L90-V94 PolarHBondContact O-N 3.07Å; E91-V94 PolarHBondContact O-N 3.41Å; V94-Y96 VanDerWaalsContact C-N 3.32Å; V94-Y96 PolarHBondContact O-N 3.01Å; V94-Y97 PolarHBondContact O-N 3.31Å; V94-E98 WeakPolarHBondContact O-CB 3.38Å; V94-E98 PolarHBondContact O-N 3.03Å; V94-K119 HydrophobicContact CG1-CD 3.82Å; V94-K119 HydrophobicContact CG1-CG 3.89Å
95	S	96.1	Very high	91.3	Very high	42 Å²	42	33 Å²	33	29%	0.294	16%	0.16	S	C	.	.	H	α-helix	trans	-61.2	-38.9	177	-174.9	0	0	0	0	112.6	E91 L92 R93 N99	E91-S95 PolarHBondContact O-N 3.01Å; L92-S95 PolarHBondContact O-N 3.37Å; R93-S95 VanDerWaalsContact C-N 3.31Å; R93-S95 PolarHBondContact O-N 2.81Å; S95-N99 PolarHBondContact O-N 3.05Å; S95-N99 VanDerWaalsContact O-N 3.11Å; S95-N99 PolarHBondContact O-ND2 3.35Å
96	Y	96.4	Very high	92.8	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-62.3	-48	173.8	177.4	-85.7	0	0	0	111.9	K47 P48 L92 R93 V94 E98 N99 V100 L235 F328 A337 A340 Y341	K47-Y96 WeakPolarHBondContact CE-OH 3.48Å; K47-Y96 HydrophobicContact CG-CE1 4.33Å; P48-Y96 HydrophobicContact CG-CE1 4.37Å; L92-Y96 WeakPolarHBondContact O-CB 3.45Å; L92-Y96 PolarHBondContact O-N 3.14Å; R93-Y96 WeakPolarHBondContact O-CB 3.1Å; R93-Y96 PolarHBondContact O-N 2.85Å; R93-Y96 VanDerWaalsContact O-N 3.12Å; V94-Y96 VanDerWaalsContact C-N 3.32Å; V94-Y96 PolarHBondContact O-N 3.01Å; Y96-E98 VanDerWaalsContact C-N 3.34Å; Y96-E98 PolarHBondContact O-N 3.42Å; Y96-N99 PolarHBondContact O-N 2.91Å; Y96-V100 HydrophobicContact CD1-CG1 4.32Å; Y96-V100 HydrophobicContact CE1-CB 4.28Å; Y96-V100 HydrophobicContact CE1-CG1 4.09Å; Y96-V100 WeakPolarHBondContact O-CB 3.09Å; Y96-V100 WeakPolarHBondContact O-CG1 3.37Å; Y96-V100 PolarHBondContact O-N 3Å; Y96-L235 HydrophobicContact CE2-CD1 4.27Å; Y96-F328 AromaticContact CD2-CE1 3.83Å; Y96-F328 HydrophobicContact CD2-CE1 3.83Å; Y96-F328 HydrophobicContact CE2-CD1 4.24Å; Y96-F328 AromaticContact CE2-CE1 3.58Å; Y96-F328 HydrophobicContact CE2-CE1 3.58Å; Y96-F328 HydrophobicContact CE2-CZ 4.38Å; Y96-A337 HydrophobicContact CD2-CB 4.05Å; Y96-A337 HydrophobicContact CE2-CB 3.72Å; Y96-A340 HydrophobicContact CG-CB 4.45Å; Y96-Y341 HydrophobicContact CD1-CD2 4.42Å; Y96-Y341 AromaticContact CD1-CE2 3.47Å; Y96-Y341 HydrophobicContact CD1-CE2 3.47Å; Y96-Y341 VanDerWaalsContact CD1-CE2 3.47Å; Y96-Y341 HydrophobicContact CD2-CD2 4.4Å; Y96-Y341 HydrophobicContact CD2-CE2 4.14Å; Y96-Y341 HydrophobicContact CE1-CD2 4.48Å; Y96-Y341 AromaticContact CE1-CE2 3.74Å; Y96-Y341 HydrophobicContact CE1-CE2 3.74Å; Y96-Y341 HydrophobicContact CE2-CD2 4.44Å; Y96-Y341 HydrophobicContact CE2-CE2 4.35Å; Y96-Y341 HydrophobicContact CG-CD2 4.37Å; Y96-Y341 AromaticContact CG-CE2 3.69Å; Y96-Y341 HydrophobicContact CG-CE2 3.69Å
97	Y	97.1	Very high	93.6	Very high	6 Å²	6	36.2 Å²	36.2	2%	0.024	17%	0.174	C	C	.	.	H	α-helix	trans	-60.6	-43.2	178.9	-95	-100.2	0	0	0	111.6	T42 A43 T44 G46 P48 Y52 R93 V94 V100 I101 Y341	T42-Y97 WeakPolarHBondContact OG1-CE1 3.38Å; A43-Y97 PolarHBondContact O-OH 2.62Å; T44-Y97 HydrophobicContact CG2-CD1 4.36Å; T44-Y97 HydrophobicContact CG2-CD2 3.95Å; T44-Y97 HydrophobicContact CG2-CE2 4.36Å; T44-Y97 HydrophobicContact CG2-CG 3.92Å; G46-Y97 VanDerWaalsContact O-CE2 3.3Å; G46-Y97 WeakPolarHBondContact O-CE2 3.28Å; G46-Y97 PolarHBondContact O-OH 2.71Å; P48-Y97 HydrophobicContact CG-CD1 3.88Å; P48-Y97 HydrophobicContact CG-CD2 4.36Å; P48-Y97 HydrophobicContact CG-CE1 3.51Å; P48-Y97 HydrophobicContact CG-CE2 4.05Å; P48-Y97 HydrophobicContact CG-CG 4.31Å; Y52-Y97 HydrophobicContact CE1-CD1 4.32Å; Y52-Y97 AromaticContact CE1-CE1 3.94Å; Y52-Y97 HydrophobicContact CE1-CE1 3.94Å; Y52-Y97 AromaticContact CZ-CE1 3.97Å; R93-Y97 WeakPolarHBondContact O-CB 3.47Å; R93-Y97 VanDerWaalsContact O-CD2 3.25Å; R93-Y97 WeakPolarHBondContact O-CD2 3.47Å; R93-Y97 PolarHBondContact O-N 2.88Å; V94-Y97 PolarHBondContact O-N 3.31Å; Y97-V100 WeakPolarHBondContact O-CG1 3.3Å; Y97-V100 PolarHBondContact O-N 3.44Å; Y97-I101 HydrophobicContact CD1-CD1 4.46Å; Y97-I101 VanDerWaalsContact O-CB 3.29Å; Y97-I101 WeakPolarHBondContact O-CB 3.25Å; Y97-I101 VanDerWaalsContact O-CG1 3.31Å; Y97-I101 WeakPolarHBondContact O-CG1 3.43Å; Y97-I101 PolarHBondContact O-N 2.66Å; Y97-Y341 WeakPolarHBondContact CE2-OH 3.4Å
98	E	97.3	Very high	94.4	Very high	69 Å²	69	32.3 Å²	32.3	32%	0.322	16%	0.16	S	C	.	.	H	α-helix	trans	-58.3	-51.2	175.9	-164	-171.7	145.8	0	0	111.7	F73 V94 Y96 V100 K102 F117	F73-E98 HydrophobicContact CE2-CB 4.06Å; F73-E98 HydrophobicContact CE2-CG 3.99Å; F73-E98 HydrophobicContact CZ-CB 3.92Å; F73-E98 HydrophobicContact CZ-CG 4.15Å; V94-E98 WeakPolarHBondContact O-CB 3.38Å; V94-E98 PolarHBondContact O-N 3.03Å; Y96-E98 VanDerWaalsContact C-N 3.34Å; Y96-E98 PolarHBondContact O-N 3.42Å; E98-V100 PolarHBondContact O-N 2.85Å; E98-K102 VanDerWaalsContact O-CB 3.27Å; E98-K102 WeakPolarHBondContact O-CB 3.4Å; E98-K102 PolarHBondContact O-N 3.44Å; E98-F117 HydrophobicContact CG-CD2 3.2Å; E98-F117 HydrophobicContact CG-CE2 3.42Å; E98-F117 VanDerWaalsContact CG-CE2 3.42Å; E98-F117 HydrophobicContact CG-CG 4.08Å; E98-F117 HydrophobicContact CG-CZ 4.45Å
99	N	97.6	Very high	94.8	Very high	39 Å²	39	30.8 Å²	30.8	21%	0.209	17%	0.169	C	C	.	.	H	α-helix	trans	-66	-39.2	-179.5	-80.9	-80	0	0	0	112.5	S95 Y96 A103 F328 L333	S95-N99 PolarHBondContact O-N 3.05Å; S95-N99 VanDerWaalsContact O-N 3.11Å; S95-N99 PolarHBondContact O-ND2 3.35Å; Y96-N99 PolarHBondContact O-N 2.91Å; N99-A103 WeakPolarHBondContact O-CB 3.16Å; N99-A103 PolarHBondContact O-N 3.38Å; N99-F328 HydrophobicContact CB-CE2 4.42Å; N99-F328 HydrophobicContact CB-CZ 3.87Å; N99-L333 HydrophobicContact CB-CD2 4Å
100	V	97.2	Very high	95.1	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-73.8	-42	-178	80	0	0	0	0	111.5	P48 Y96 Y97 E98 K102 A103 M104 L234 I324 F328	P48-V100 HydrophobicContact CB-CG1 4.46Å; P48-V100 HydrophobicContact CG-CG1 4.21Å; Y96-V100 HydrophobicContact CD1-CG1 4.32Å; Y96-V100 HydrophobicContact CE1-CB 4.28Å; Y96-V100 HydrophobicContact CE1-CG1 4.09Å; Y96-V100 WeakPolarHBondContact O-CB 3.09Å; Y96-V100 WeakPolarHBondContact O-CG1 3.37Å; Y96-V100 PolarHBondContact O-N 3Å; Y97-V100 WeakPolarHBondContact O-CG1 3.3Å; Y97-V100 PolarHBondContact O-N 3.44Å; E98-V100 PolarHBondContact O-N 2.85Å; V100-K102 VanDerWaalsContact C-N 3.34Å; V100-K102 PolarHBondContact O-N 2.99Å; V100-A103 PolarHBondContact O-N 2.82Å; V100-M104 VanDerWaalsContact O-CG 3.23Å; V100-M104 WeakPolarHBondContact O-CG 3.46Å; V100-M104 PolarHBondContact O-N 2.92Å; V100-L234 HydrophobicContact CG2-CB 4.37Å; V100-L234 HydrophobicContact CG2-CD1 3.51Å; V100-I324 HydrophobicContact CG2-CG2 4.38Å; V100-F328 HydrophobicContact CB-CE2 4.09Å; V100-F328 HydrophobicContact CB-CZ 3.74Å; V100-F328 HydrophobicContact CG2-CE2 4.18Å; V100-F328 HydrophobicContact CG2-CZ 4.15Å
101	I	97.4	Very high	95.3	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-61.9	-45	175.2	-75.7	168.3	0	0	0	110.3	W40 T42 M56 I71 F73 Y97 A103 M104 L105 F117	W40-I101 HydrophobicContact CH2-CD1 4.49Å; W40-I101 HydrophobicContact CZ3-CD1 3.96Å; T42-I101 HydrophobicContact CG2-CD1 4.29Å; M56-I101 HydrophobicContact SD-CB 4.38Å; M56-I101 HydrophobicContact SD-CG1 4.17Å; M56-I101 HydrophobicContact SD-CG2 3.73Å; I71-I101 HydrophobicContact CD1-CG2 3.72Å; I71-I101 HydrophobicContact CG2-CD1 4.3Å; F73-I101 HydrophobicContact CE1-CD1 3.79Å; F73-I101 HydrophobicContact CZ-CD1 4.22Å; Y97-I101 HydrophobicContact CD1-CD1 4.46Å; Y97-I101 VanDerWaalsContact O-CB 3.29Å; Y97-I101 WeakPolarHBondContact O-CB 3.25Å; Y97-I101 VanDerWaalsContact O-CG1 3.31Å; Y97-I101 WeakPolarHBondContact O-CG1 3.43Å; Y97-I101 PolarHBondContact O-N 2.66Å; I101-A103 VanDerWaalsContact C-N 3.33Å; I101-A103 PolarHBondContact O-N 3.31Å; I101-M104 WeakPolarHBondContact O-CB 3.46Å; I101-M104 PolarHBondContact O-N 3.37Å; I101-L105 HydrophobicContact CG2-CD1 4.03Å; I101-L105 WeakPolarHBondContact O-CG 3.25Å; I101-L105 PolarHBondContact O-N 2.91Å; I101-F117 HydrophobicContact CG2-CE1 4.17Å; I101-F117 HydrophobicContact CG2-CZ 4.02Å
102	K	97.2	Very high	95.6	Very high	87 Å²	87	30.9 Å²	30.9	38%	0.378	18%	0.176	S	C	.	.	H	α-helix	trans	-58.7	-45.8	175.5	-174.4	170.5	-176.5	173.2	0	111.5	E98 V100 M104 L105 E106 L112 F117	E98-K102 VanDerWaalsContact O-CB 3.27Å; E98-K102 WeakPolarHBondContact O-CB 3.4Å; E98-K102 PolarHBondContact O-N 3.44Å; V100-K102 VanDerWaalsContact C-N 3.34Å; V100-K102 PolarHBondContact O-N 2.99Å; K102-M104 VanDerWaalsContact C-N 3.34Å; K102-M104 PolarHBondContact O-N 3.41Å; K102-L105 PolarHBondContact O-N 3.12Å; K102-E106 VanDerWaalsContact CE-OE1 3.24Å; K102-E106 WeakPolarHBondContact CE-OE1 3.1Å; K102-E106 WeakPolarHBondContact CG-OE1 3.34Å; K102-E106 WeakPolarHBondContact O-CB 3.41Å; K102-E106 VanDerWaalsContact O-CG 3.28Å; K102-E106 WeakPolarHBondContact O-CG 3.32Å; K102-E106 PolarHBondContact O-N 3.06Å; K102-L112 HydrophobicContact CG-CD1 3.91Å; K102-F117 HydrophobicContact CB-CE2 4.35Å; K102-F117 HydrophobicContact CB-CZ 4.45Å
103	A	97.4	Very high	95.7	Very high	3 Å²	3	35.5 Å²	35.5	3%	0.025	20%	0.196	C	C	.	.	H	α-helix	trans	-62.7	-37.9	176.7	0	0	0	0	0	112.9	N99 V100 I101 S107 I324 K327 F328	N99-A103 WeakPolarHBondContact O-CB 3.16Å; N99-A103 PolarHBondContact O-N 3.38Å; V100-A103 PolarHBondContact O-N 2.82Å; I101-A103 VanDerWaalsContact C-N 3.33Å; I101-A103 PolarHBondContact O-N 3.31Å; A103-S107 WeakPolarHBondContact O-CB 3.21Å; A103-S107 PolarHBondContact O-N 2.87Å; A103-I324 HydrophobicContact CB-CB 4.41Å; A103-I324 HydrophobicContact CB-CG1 4.13Å; A103-I324 HydrophobicContact CB-CG2 4.09Å; A103-K327 HydrophobicContact CB-CD 3.96Å; A103-F328 HydrophobicContact CB-CE2 4.25Å
104	M	97.1	Very high	95.9	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-64	-47	176.2	-70.6	174.2	78.7	0	0	111.6	F53 M56 V100 I101 K102 S107 I108 L234 I324	F53-M104 HydrophobicContact CB-CE 4.17Å; F53-M104 HydrophobicContact CD1-CE 3.4Å; F53-M104 HydrophobicContact CD2-CE 3.71Å; F53-M104 HydrophobicContact CE1-CB 4.06Å; F53-M104 HydrophobicContact CE1-CE 3.59Å; F53-M104 HydrophobicContact CE1-CG 4.08Å; F53-M104 HydrophobicContact CE2-CE 3.89Å; F53-M104 HydrophobicContact CG-CE 3.46Å; F53-M104 VanDerWaalsContact CG-CE 3.46Å; F53-M104 HydrophobicContact CZ-CE 3.84Å; F53-M104 HydrophobicContact CZ-CG 4.15Å; M56-M104 HydrophobicContact CB-CE 4.23Å; M56-M104 HydrophobicContact CG-CB 4.38Å; M56-M104 HydrophobicContact CG-CE 3.72Å; M56-M104 HydrophobicContact CG-SD 4.04Å; V100-M104 VanDerWaalsContact O-CG 3.23Å; V100-M104 WeakPolarHBondContact O-CG 3.46Å; V100-M104 PolarHBondContact O-N 2.92Å; I101-M104 WeakPolarHBondContact O-CB 3.46Å; I101-M104 PolarHBondContact O-N 3.37Å; K102-M104 VanDerWaalsContact C-N 3.34Å; K102-M104 PolarHBondContact O-N 3.41Å; M104-S107 PolarHBondContact O-N 3.05Å; M104-I108 VanDerWaalsContact O-CG1 3.26Å; M104-I108 WeakPolarHBondContact O-CG1 3.31Å; M104-I108 PolarHBondContact O-N 2.69Å; M104-L234 HydrophobicContact CE-CD1 4.3Å; M104-L234 HydrophobicContact CE-CD2 4.12Å; M104-L234 HydrophobicContact CG-CD1 4.31Å; M104-L234 HydrophobicContact SD-CD1 3.55Å; M104-L234 VanDerWaalsContact SD-CD1 3.55Å; M104-L234 HydrophobicContact SD-CD2 4.35Å; M104-I324 HydrophobicContact CB-CD1 4.39Å; M104-I324 HydrophobicContact CG-CD1 3.71Å
105	L	96.3	Very high	96.1	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-68.4	-37.8	179.8	-65.5	171.3	0	0	0	112.1	M56 I59 A60 L63 I101 K102 I108 G109 V110 L112 L115	M56-L105 HydrophobicContact CB-CD2 4.41Å; M56-L105 HydrophobicContact SD-CD2 4.22Å; M56-L105 HydrophobicContact SD-CG 4.26Å; I59-L105 HydrophobicContact CB-CD2 4.27Å; I59-L105 HydrophobicContact CG2-CD1 4.02Å; I59-L105 HydrophobicContact CG2-CD2 3.87Å; A60-L105 HydrophobicContact CB-CD2 4.46Å; L63-L105 HydrophobicContact CD1-CD1 4.4Å; I101-L105 HydrophobicContact CG2-CD1 4.03Å; I101-L105 WeakPolarHBondContact O-CG 3.25Å; I101-L105 PolarHBondContact O-N 2.91Å; K102-L105 PolarHBondContact O-N 3.12Å; L105-I108 HydrophobicContact CD2-CD1 4.46Å; L105-I108 PolarHBondContact O-N 2.81Å; L105-G109 PolarHBondContact O-N 3.15Å; L105-V110 HydrophobicContact CB-CG2 3.88Å; L105-V110 HydrophobicContact CD2-CG2 3.98Å; L105-V110 HydrophobicContact CG-CG2 4.5Å; L105-V110 WeakPolarHBondContact O-CG2 3.29Å; L105-V110 PolarHBondContact O-N 3.22Å; L105-L112 HydrophobicContact CB-CD2 3.65Å; L105-L112 HydrophobicContact CD1-CD2 4.1Å; L105-L115 HydrophobicContact CD1-CD2 3.5Å
106	E	96.1	Very high	96.2	Very high	84 Å²	84	43 Å²	43	39%	0.393	23%	0.225	S	C	.	.	H	α-helix	trans	-61.1	-43.3	170.4	-73.7	168.9	-172.3	0	0	111.4	K102 I108 G109 L112 K327	K102-E106 VanDerWaalsContact CE-OE1 3.24Å; K102-E106 WeakPolarHBondContact CE-OE1 3.1Å; K102-E106 WeakPolarHBondContact CG-OE1 3.34Å; K102-E106 WeakPolarHBondContact O-CB 3.41Å; K102-E106 VanDerWaalsContact O-CG 3.28Å; K102-E106 WeakPolarHBondContact O-CG 3.32Å; K102-E106 PolarHBondContact O-N 3.06Å; E106-I108 VanDerWaalsContact C-N 3.3Å; E106-I108 PolarHBondContact O-N 3.34Å; E106-G109 WeakPolarHBondContact O-CA 3.26Å; E106-G109 PolarHBondContact O-N 3.41Å; E106-L112 HydrophobicContact CG-CD1 3.95Å; E106-K327 IonicContact OE1-NZ 3.69Å; E106-K327 PolarHBondContact OE1-NZ 3.16Å; E106-K327 IonicContact OE2-NZ 2.7Å; E106-K327 PolarHBondContact OE2-NZ 2.86Å
107	S	96.1	Very high	96.3	Very high	25 Å²	25	45.6 Å²	45.6	18%	0.175	24%	0.236	C	C	.	.	H	α-helix	trans	-67.3	-29.6	176.8	-175.6	0	0	0	0	113.3	A103 M104 G109 L320	A103-S107 WeakPolarHBondContact O-CB 3.21Å; A103-S107 PolarHBondContact O-N 2.87Å; M104-S107 PolarHBondContact O-N 3.05Å; S107-G109 VanDerWaalsContact C-N 3.27Å; S107-L320 WeakPolarHBondContact OG-CA 3.27Å; S107-L320 PolarHBondContact OG-O 2.88Å
108	I	94.5	Very high	96.3	Very high	21 Å²	21	46.2 Å²	46.2	11%	0.108	24%	0.24	C	C	.	.	H	α-helix	trans	-71.4	-28.6	171.6	-72.3	169	0	0	0	110.5	F53 M56 A60 M104 L105 E106 V110 L271	F53-I108 HydrophobicContact CD1-CD1 4.15Å; F53-I108 HydrophobicContact CE1-CD1 4.4Å; F53-I108 HydrophobicContact CE1-CG1 4.4Å; M56-I108 HydrophobicContact CB-CD1 4.18Å; A60-I108 HydrophobicContact CB-CD1 4.47Å; A60-I108 HydrophobicContact CB-CG2 3.75Å; M104-I108 VanDerWaalsContact O-CG1 3.26Å; M104-I108 WeakPolarHBondContact O-CG1 3.31Å; M104-I108 PolarHBondContact O-N 2.69Å; L105-I108 HydrophobicContact CD2-CD1 4.46Å; L105-I108 PolarHBondContact O-N 2.81Å; E106-I108 VanDerWaalsContact C-N 3.3Å; E106-I108 PolarHBondContact O-N 3.34Å; I108-V110 HydrophobicContact CG2-CG1 4.1Å; I108-V110 HydrophobicContact CG2-CG2 4.41Å; I108-L271 HydrophobicContact CB-CD2 3.96Å; I108-L271 HydrophobicContact CD1-CD2 4.28Å; I108-L271 HydrophobicContact CG1-CD2 3.67Å; I108-L271 HydrophobicContact CG2-CD2 3.4Å
109	G	93.6	Very high	96.3	Very high	59 Å²	59	45.3 Å²	45.3	61%	0.608	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	84.9	42.7	178.5	0	0	0	0	0	113.1	L105 E106 S107	L105-G109 PolarHBondContact O-N 3.15Å; E106-G109 WeakPolarHBondContact O-CA 3.26Å; E106-G109 PolarHBondContact O-N 3.41Å; S107-G109 VanDerWaalsContact C-N 3.27Å
110	V	92.7	Very high	96.2	Very high	11 Å²	11	43.5 Å²	43.5	7%	0.067	23%	0.225	C	C	.	.			trans	-104.5	147	174.2	-76	0	0	0	0	113.7	A60 L63 K64 L105 I108 L112	A60-V110 HydrophobicContact CB-CG1 3.71Å; A60-V110 HydrophobicContact CB-CG2 4.16Å; L63-V110 HydrophobicContact CD1-CG2 4.04Å; K64-V110 HydrophobicContact CD-CG1 4.17Å; K64-V110 VanDerWaalsContact CE-CG1 3.47Å; K64-V110 HydrophobicContact CG-CG1 3.85Å; L105-V110 HydrophobicContact CB-CG2 3.88Å; L105-V110 HydrophobicContact CD2-CG2 3.98Å; L105-V110 HydrophobicContact CG-CG2 4.5Å; L105-V110 WeakPolarHBondContact O-CG2 3.29Å; L105-V110 PolarHBondContact O-N 3.22Å; I108-V110 HydrophobicContact CG2-CG1 4.1Å; I108-V110 HydrophobicContact CG2-CG2 4.41Å; V110-L112 HydrophobicContact CG2-CD2 4.22Å
111	P	90.7	Very high	96.1	Very high	65 Å²	65	45 Å²	45	42%	0.422	24%	0.235	S	C	.	.			trans	-59.1	136.9	169.9	21.9	-30.7	0	0	0	111.3	E113	P111-E113 WeakPolarHBondContact CA-OE2 3.34Å; P111-E113 WeakPolarHBondContact CB-OE2 3.38Å
112	L	95.6	Very high	96	Very high	36 Å²	36	50.2 Å²	50.2	19%	0.188	26%	0.262	C	S	.	.			trans	-111.3	6	-177.4	-54	-173	0	0	0	113.2	L63 K102 L105 E106 V110 K114 L115	L63-L112 HydrophobicContact CD1-CD2 4.3Å; K102-L112 HydrophobicContact CG-CD1 3.91Å; L105-L112 HydrophobicContact CB-CD2 3.65Å; L105-L112 HydrophobicContact CD1-CD2 4.1Å; E106-L112 HydrophobicContact CG-CD1 3.95Å; V110-L112 HydrophobicContact CG2-CD2 4.22Å; L112-K114 PolarHBondContact O-N 2.54Å; L112-L115 HydrophobicContact CB-CB 4.42Å; L112-L115 HydrophobicContact CD2-CD2 4.02Å; L112-L115 WeakPolarHBondContact O-CB 3.48Å; L112-L115 PolarHBondContact O-N 2.84Å; L112-L115 VanDerWaalsContact O-N 3.07Å
113	E	96.1	Very high	96.1	Very high	162 Å²	162	47.6 Å²	47.6	76%	0.757	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-31	-173.3	-61.9	72.4	-158.4	0	0	112.1	P111	P111-E113 WeakPolarHBondContact CA-OE2 3.34Å; P111-E113 WeakPolarHBondContact CB-OE2 3.38Å
114	K	96.8	Very high	96.1	Very high	90 Å²	90	47.7 Å²	47.7	39%	0.391	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.5	8.5	177.4	-65.9	-175.3	173.8	179.8	0	113.4	E35 L63 G66 C67 V69 L112	E35-K114 IonicContact OE1-NZ 3.95Å; L63-K114 HydrophobicContact CD2-CB 4.39Å; G66-K114 VanDerWaalsContact O-CD 3.29Å; G66-K114 WeakPolarHBondContact O-CD 3.42Å; G66-K114 PolarHBondContact O-NZ 2.85Å; C67-K114 WeakPolarHBondContact O-CB 3.34Å; V69-K114 PolarHBondContact N-O 3.08Å; L112-K114 PolarHBondContact O-N 2.54Å
115	L	98.1	Very high	96	Very high	27 Å²	27	53.1 Å²	53.1	14%	0.141	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	124.1	175.5	-178.3	65.6	0	0	0	109.9	L63 V69 I71 L105 L112 F117	L63-L115 HydrophobicContact CD2-CB 4.19Å; V69-L115 HydrophobicContact CB-CD1 4.16Å; V69-L115 HydrophobicContact CG1-CD1 4.02Å; V69-L115 CarbonylContact O-C 3.54Å; V69-L115 WeakPolarHBondContact O-CA 3.3Å; I71-L115 HydrophobicContact CD1-CD1 4Å; I71-L115 HydrophobicContact CG1-CD1 3.99Å; L105-L115 HydrophobicContact CD1-CD2 3.5Å; L112-L115 HydrophobicContact CB-CB 4.42Å; L112-L115 HydrophobicContact CD2-CD2 4.02Å; L112-L115 WeakPolarHBondContact O-CB 3.48Å; L112-L115 PolarHBondContact O-N 2.84Å; L112-L115 VanDerWaalsContact O-N 3.07Å; L115-F117 HydrophobicContact CD1-CE1 4.03Å; L115-F117 HydrophobicContact CD2-CE1 3.62Å; L115-F117 HydrophobicContact CD2-CZ 3.67Å; L115-F117 HydrophobicContact CG-CD1 4.31Å; L115-F117 HydrophobicContact CG-CE1 3.77Å; L115-F117 HydrophobicContact CG-CZ 4.26Å
116	K	98.3	Very high	96.1	Very high	120 Å²	120	54.8 Å²	54.8	52%	0.522	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	136.8	175.6	-169.8	180	176.7	-168.5	0	110.6	V69 T70 I71 I118	V69-K116 PolarHBondContact O-N 3.48Å; T70-K116 CarbonylContact C-O 3.59Å; T70-K116 WeakPolarHBondContact CA-O 3.45Å; I71-K116 PolarHBondContact N-O 3.42Å; K116-I118 HydrophobicContact CD-CD1 3.85Å; K116-I118 HydrophobicContact CD-CG1 4.07Å; K116-I118 VanDerWaalsContact CE-CD1 3.42Å; K116-I118 HydrophobicContact CG-CD1 4.37Å; K116-I118 HydrophobicContact CG-CG1 4.06Å
117	F	98.4	Very high	96.2	Very high	53 Å²	53	59 Å²	59	23%	0.232	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	132.5	171.6	-69.3	-21.3	0	0	0	109.8	I71 F73 E98 I101 K102 L115	I71-F117 HydrophobicContact CB-CD1 3.91Å; I71-F117 HydrophobicContact CB-CE1 4.04Å; I71-F117 HydrophobicContact CD1-CE1 4.09Å; I71-F117 HydrophobicContact CG1-CE1 4.34Å; F73-F117 HydrophobicContact CD2-CB 4.48Å; F73-F117 HydrophobicContact CE2-CB 3.79Å; F73-F117 AromaticContact CE2-CD1 3.9Å; F73-F117 HydrophobicContact CE2-CD1 3.9Å; F73-F117 HydrophobicContact CE2-CD2 4.26Å; F73-F117 AromaticContact CE2-CG 3.72Å; F73-F117 HydrophobicContact CE2-CG 3.72Å; F73-F117 HydrophobicContact CZ-CD1 4.12Å; F73-F117 HydrophobicContact CZ-CE1 4.34Å; F73-F117 HydrophobicContact CZ-CG 4.25Å; E98-F117 HydrophobicContact CG-CD2 3.2Å; E98-F117 HydrophobicContact CG-CE2 3.42Å; E98-F117 VanDerWaalsContact CG-CE2 3.42Å; E98-F117 HydrophobicContact CG-CG 4.08Å; E98-F117 HydrophobicContact CG-CZ 4.45Å; I101-F117 HydrophobicContact CG2-CE1 4.17Å; I101-F117 HydrophobicContact CG2-CZ 4.02Å; K102-F117 HydrophobicContact CB-CE2 4.35Å; K102-F117 HydrophobicContact CB-CZ 4.45Å; L115-F117 HydrophobicContact CD1-CE1 4.03Å; L115-F117 HydrophobicContact CD2-CE1 3.62Å; L115-F117 HydrophobicContact CD2-CZ 3.67Å; L115-F117 HydrophobicContact CG-CD1 4.31Å; L115-F117 HydrophobicContact CG-CE1 3.77Å; L115-F117 HydrophobicContact CG-CZ 4.26Å
118	I	97.9	Very high	96.3	Very high	19 Å²	19	63.2 Å²	63.2	10%	0.097	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	138.6	178.2	-60.2	-176.1	0	0	0	108.1	T70 I71 L72 F73 K116 D122 Y123 L177	T70-I118 HydrophobicContact CG2-CB 4.36Å; T70-I118 HydrophobicContact CG2-CD1 3.74Å; T70-I118 HydrophobicContact CG2-CG1 3.98Å; I71-I118 PolarHBondContact O-N 2.91Å; I71-I118 VanDerWaalsContact O-N 3.14Å; L72-I118 WeakPolarHBondContact CA-O 3.45Å; L72-I118 HydrophobicContact CD1-CG2 4.26Å; F73-I118 PolarHBondContact N-O 3.41Å; K116-I118 HydrophobicContact CD-CD1 3.85Å; K116-I118 HydrophobicContact CD-CG1 4.07Å; K116-I118 VanDerWaalsContact CE-CD1 3.42Å; K116-I118 HydrophobicContact CG-CD1 4.37Å; K116-I118 HydrophobicContact CG-CG1 4.06Å; I118-D122 HydrophobicContact CG2-CB 4.48Å; I118-Y123 HydrophobicContact CG2-CD1 4.07Å; I118-Y123 HydrophobicContact CG2-CE1 3.94Å; I118-L177 HydrophobicContact CB-CD2 4.41Å; I118-L177 HydrophobicContact CD1-CD2 3.68Å; I118-L177 HydrophobicContact CG2-CD2 4.14Å
119	K	96.7	Very high	96.5	Very high	51 Å²	51	62.3 Å²	62.3	22%	0.222	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	145	170.7	-53.9	-176.6	-175.6	178.6	0	109.4	E91 V94 T121 D122	E91-K119 IonicContact OE2-NZ 3.35Å; E91-K119 PolarHBondContact OE2-NZ 2.99Å; V94-K119 HydrophobicContact CG1-CD 3.82Å; V94-K119 HydrophobicContact CG1-CG 3.89Å; K119-T121 VanDerWaalsContact C-N 3.31Å; K119-T121 PolarHBondContact O-N 3.4Å; K119-D122 WeakPolarHBondContact CB-OD2 3.4Å; K119-D122 PolarHBondContact N-OD2 3.07Å; K119-D122 VanDerWaalsContact O-CB 3.25Å; K119-D122 WeakPolarHBondContact O-CB 3.38Å; K119-D122 PolarHBondContact O-N 3.27Å; K119-D122 VanDerWaalsContact O-N 3.11Å
120	G	95.4	Very high	96.8	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-57.4	-46	178.2	0	0	0	0	0	111.9	F73 D75 D122 Y123 Q124	F73-G120 PolarHBondContact O-N 3.28Å; D75-G120 WeakPolarHBondContact OD1-CA 3.36Å; D75-G120 PolarHBondContact OD1-N 3.03Å; G120-D122 PolarHBondContact O-N 3.28Å; G120-Y123 PolarHBondContact O-N 2.92Å; G120-Q124 VanDerWaalsContact CA-CD 3.49Å; G120-Q124 WeakPolarHBondContact O-CB 3.43Å; G120-Q124 WeakPolarHBondContact O-CG 3.31Å; G120-Q124 PolarHBondContact O-N 3.11Å
121	T	94.9	Very high	97	Very high	33 Å²	33	65.1 Å²	65.1	20%	0.202	32%	0.322	C	S	.	.	G	3₁₀ helix	trans	-61.3	-16.1	178	52.1	0	0	0	0	115	D75 L76 W87 K119 Y123	D75-T121 PolarHBondContact OD1-N 3.47Å; D75-T121 WeakPolarHBondContact OD2-CB 3.44Å; D75-T121 WeakPolarHBondContact OD2-CG2 3.45Å; D75-T121 PolarHBondContact OD2-OG1 3.43Å; L76-T121 HydrophobicContact CB-CG2 4.2Å; W87-T121 HydrophobicContact CH2-CG2 4.41Å; W87-T121 HydrophobicContact CZ3-CG2 3.94Å; K119-T121 VanDerWaalsContact C-N 3.31Å; K119-T121 PolarHBondContact O-N 3.4Å; T121-Y123 PolarHBondContact O-N 2.8Å
122	D	96.6	Very high	97.4	Very high	109 Å²	109	62.1 Å²	62.1	58%	0.583	30%	0.302	S	S	*	.	G	3₁₀ helix	trans	-62.3	-27.7	176.1	-65.5	-27.5	0	0	0	112.4	I118 K119 G120	I118-D122 HydrophobicContact CG2-CB 4.48Å; K119-D122 WeakPolarHBondContact CB-OD2 3.4Å; K119-D122 PolarHBondContact N-OD2 3.07Å; K119-D122 VanDerWaalsContact O-CB 3.25Å; K119-D122 WeakPolarHBondContact O-CB 3.38Å; K119-D122 PolarHBondContact O-N 3.27Å; K119-D122 VanDerWaalsContact O-N 3.11Å; G120-D122 PolarHBondContact O-N 3.28Å
123	Y	97.9	Very high	97.5	Very high	31 Å²	31	61.8 Å²	61.8	12%	0.122	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-140.2	-22	-178	70.7	-87.4	0	0	0	115.1	L72 I118 G120 T121 L125 S126 Y129 D173 Y176 L177	L72-Y123 HydrophobicContact CD1-CE1 4Å; I118-Y123 HydrophobicContact CG2-CD1 4.07Å; I118-Y123 HydrophobicContact CG2-CE1 3.94Å; G120-Y123 PolarHBondContact O-N 2.92Å; T121-Y123 PolarHBondContact O-N 2.8Å; Y123-L125 PolarHBondContact O-N 3.14Å; Y123-L125 VanDerWaalsContact O-N 3.09Å; Y123-S126 WeakPolarHBondContact O-CB 3.35Å; Y123-S126 PolarHBondContact O-N 2.75Å; Y123-S126 PolarHBondContact O-OG 2.94Å; Y123-Y129 AromaticContact CD2-CD2 3.81Å; Y123-Y129 HydrophobicContact CD2-CD2 3.81Å; Y123-Y129 HydrophobicContact CD2-CE2 4.12Å; Y123-Y129 HydrophobicContact CD2-CG 4.46Å; Y123-Y129 AromaticContact CE2-CD2 3.8Å; Y123-Y129 HydrophobicContact CE2-CD2 3.8Å; Y123-Y129 AromaticContact CE2-CE2 3.63Å; Y123-Y129 HydrophobicContact CE2-CE2 3.63Å; Y123-D173 WeakPolarHBondContact OH-CB 3.41Å; Y123-D173 PolarHBondContact OH-OD1 3.3Å; Y123-Y176 HydrophobicContact CD2-CD1 4.06Å; Y123-Y176 HydrophobicContact CD2-CG 4.11Å; Y123-Y176 HydrophobicContact CE2-CG 4.25Å; Y123-L177 HydrophobicContact CE1-CD2 3.82Å
124	Q	97.6	Very high	97.6	Very high	5 Å²	5	61.5 Å²	61.5	2%	0.023	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-12.9	-174.2	-69.7	173	-21.4	0	0	113.5	L76 H77 G120 Y129 D173	L76-Q124 HydrophobicContact CD2-CB 3.8Å; H77-Q124 PolarHBondContact CE1-NE2 2.9Å; H77-Q124 VanDerWaalsContact CE1-NE2 3.29Å; G120-Q124 VanDerWaalsContact CA-CD 3.49Å; G120-Q124 WeakPolarHBondContact O-CB 3.43Å; G120-Q124 WeakPolarHBondContact O-CG 3.31Å; G120-Q124 PolarHBondContact O-N 3.11Å; Q124-Y129 HydrophobicContact CB-CD1 4.16Å; Q124-Y129 HydrophobicContact CB-CE1 3.85Å; Q124-Y129 HydrophobicContact CG-CE1 3.96Å; Q124-Y129 HydrophobicContact CG-CE2 4.13Å; Q124-Y129 WeakPolarHBondContact O-CD1 3.28Å; Q124-D173 VanDerWaalsContact NE2-CG 3.32Å; Q124-D173 PolarHBondContact NE2-OD1 2.95Å; Q124-D173 PolarHBondContact NE2-OD2 3.06Å; Q124-D173 VanDerWaalsContact NE2-OD2 3.12Å
125	L	96.5	Very high	97.7	Very high	115 Å²	115	63.2 Å²	63.2	60%	0.602	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102	3.9	174.1	-56.7	179.8	0	0	0	112.9	L76 Y123	L76-L125 HydrophobicContact CD2-CD2 4.19Å; Y123-L125 PolarHBondContact O-N 3.14Å; Y123-L125 VanDerWaalsContact O-N 3.09Å
126	S	98.4	Very high	97.7	Very high	35 Å²	35	62.2 Å²	62.2	25%	0.245	29%	0.293	C	S	.	.	S	Bend	trans	-66.1	155.8	176.1	66.8	0	0	0	0	111.2	Y123 E128 Y129 T130	Y123-S126 WeakPolarHBondContact O-CB 3.35Å; Y123-S126 PolarHBondContact O-N 2.75Å; Y123-S126 PolarHBondContact O-OG 2.94Å; S126-E128 VanDerWaalsContact C-N 3.31Å; S126-E128 PolarHBondContact O-N 2.96Å; S126-Y129 PolarHBondContact O-N 3.07Å; S126-Y129 VanDerWaalsContact OG-CB 3.25Å; S126-Y129 WeakPolarHBondContact OG-CB 3.15Å; S126-Y129 PolarHBondContact OG-N 3.08Å; S126-T130 WeakPolarHBondContact O-CB 3.39Å; S126-T130 PolarHBondContact O-N 3.2Å; S126-T130 PolarHBondContact O-OG1 3.28Å
127	K	98.4	Very high	97.6	Very high	171 Å²	171	59.8 Å²	59.8	74%	0.743	29%	0.291	S	S	*	.	H	α-helix	trans	-60	-44.1	179.6	179	-176.7	174.3	-175.1	0	111.2	L131	K127-L131 WeakPolarHBondContact O-CB 3.38Å; K127-L131 PolarHBondContact O-N 3.12Å
128	E	98.2	Very high	97.6	Very high	115 Å²	115	61.8 Å²	61.8	54%	0.537	31%	0.312	S	S	.	.	H	α-helix	trans	-63.2	-51.4	-178.4	-64.1	70.4	-153.5	0	0	110.1	S126 T130 L131 D132 Y176	S126-E128 VanDerWaalsContact C-N 3.31Å; S126-E128 PolarHBondContact O-N 2.96Å; E128-T130 PolarHBondContact O-N 2.68Å; E128-L131 WeakPolarHBondContact O-CB 3.46Å; E128-L131 PolarHBondContact O-N 3.06Å; E128-D132 PolarHBondContact O-N 3Å; E128-D132 VanDerWaalsContact O-N 3.1Å; E128-Y176 HydrophobicContact CB-CE1 4.2Å; E128-Y176 PolarHBondContact O-OH 2.99Å; E128-Y176 VanDerWaalsContact O-OH 3.06Å
129	Y	98.4	Very high	97.5	Very high	1 Å²	1	64 Å²	64	0%	0.004	33%	0.326	C	S	.	.	H	α-helix	trans	-61.1	-45.7	-180	-173.9	-85.9	0	0	0	111.5	Y123 Q124 S126 L131 D132 V133 L169 L172 D173 Y176	Y123-Y129 AromaticContact CD2-CD2 3.81Å; Y123-Y129 HydrophobicContact CD2-CD2 3.81Å; Y123-Y129 HydrophobicContact CD2-CE2 4.12Å; Y123-Y129 HydrophobicContact CD2-CG 4.46Å; Y123-Y129 AromaticContact CE2-CD2 3.8Å; Y123-Y129 HydrophobicContact CE2-CD2 3.8Å; Y123-Y129 AromaticContact CE2-CE2 3.63Å; Y123-Y129 HydrophobicContact CE2-CE2 3.63Å; Q124-Y129 HydrophobicContact CB-CD1 4.16Å; Q124-Y129 HydrophobicContact CB-CE1 3.85Å; Q124-Y129 HydrophobicContact CG-CE1 3.96Å; Q124-Y129 HydrophobicContact CG-CE2 4.13Å; Q124-Y129 WeakPolarHBondContact O-CD1 3.28Å; S126-Y129 PolarHBondContact O-N 3.07Å; S126-Y129 VanDerWaalsContact OG-CB 3.25Å; S126-Y129 WeakPolarHBondContact OG-CB 3.15Å; S126-Y129 PolarHBondContact OG-N 3.08Å; Y129-L131 VanDerWaalsContact C-N 3.28Å; Y129-L131 PolarHBondContact O-N 3.2Å; Y129-D132 PolarHBondContact O-N 3.06Å; Y129-D132 VanDerWaalsContact O-N 3.12Å; Y129-V133 HydrophobicContact CD1-CG2 3.84Å; Y129-V133 HydrophobicContact CE1-CG2 3.64Å; Y129-V133 WeakPolarHBondContact O-CG2 3.28Å; Y129-V133 PolarHBondContact O-N 3.38Å; Y129-L169 HydrophobicContact CE1-CD2 3.9Å; Y129-L169 VanDerWaalsContact OH-CA 3.29Å; Y129-L169 WeakPolarHBondContact OH-CA 3.44Å; Y129-L169 PolarHBondContact OH-O 3Å; Y129-L172 HydrophobicContact CD2-CB 4.34Å; Y129-L172 HydrophobicContact CE2-CB 3.58Å; Y129-D173 PolarHBondContact OH-OD1 2.83Å; Y129-D173 VanDerWaalsContact OH-OD1 3.14Å; Y129-Y176 VanDerWaalsContact CA-CZ 3.46Å; Y129-Y176 VanDerWaalsContact CA-OH 3.29Å; Y129-Y176 WeakPolarHBondContact CA-OH 3.16Å; Y129-Y176 AromaticContact CD2-CD1 3.85Å; Y129-Y176 HydrophobicContact CD2-CD1 3.85Å; Y129-Y176 AromaticContact CD2-CD2 3.57Å; Y129-Y176 HydrophobicContact CD2-CD2 3.57Å; Y129-Y176 HydrophobicContact CD2-CE1 4.05Å; Y129-Y176 AromaticContact CD2-CE2 3.78Å; Y129-Y176 HydrophobicContact CD2-CE2 3.78Å; Y129-Y176 AromaticContact CD2-CG 3.61Å; Y129-Y176 HydrophobicContact CD2-CG 3.61Å; Y129-Y176 HydrophobicContact CE2-CD2 4.1Å; Y129-Y176 HydrophobicContact CE2-CG 4.27Å; Y129-Y176 HydrophobicContact CG-CE1 4.4Å; Y129-Y176 HydrophobicContact CG-CE2 4.48Å; Y129-Y176 PolarHBondContact N-OH 2.87Å; Y129-Y176 VanDerWaalsContact N-OH 3.14Å
130	T	98.3	Very high	97.6	Very high	47 Å²	47	62.5 Å²	62.5	29%	0.288	32%	0.321	S	S	.	.	H	α-helix	trans	-61.3	-37.5	178.1	-57.2	0	0	0	0	112	S126 E128 D132 V133 Y134	S126-T130 WeakPolarHBondContact O-CB 3.39Å; S126-T130 PolarHBondContact O-N 3.2Å; S126-T130 PolarHBondContact O-OG1 3.28Å; E128-T130 PolarHBondContact O-N 2.68Å; T130-D132 VanDerWaalsContact C-N 3.34Å; T130-V133 WeakPolarHBondContact O-CB 3.35Å; T130-V133 PolarHBondContact O-N 2.87Å; T130-Y134 HydrophobicContact CG2-CD2 4.16Å; T130-Y134 HydrophobicContact CG2-CE2 3.65Å; T130-Y134 WeakPolarHBondContact O-CD2 3.46Å; T130-Y134 PolarHBondContact O-N 2.72Å; T130-Y134 VanDerWaalsContact O-N 3.12Å
131	L	98.3	Very high	97.7	Very high	83 Å²	83	65.7 Å²	65.7	44%	0.435	34%	0.341	S	S	.	.	H	α-helix	trans	-64.1	-41.1	175.6	-179.5	61.4	0	0	0	111.5	K127 E128 Y129 Y134 R135	K127-L131 WeakPolarHBondContact O-CB 3.38Å; K127-L131 PolarHBondContact O-N 3.12Å; E128-L131 WeakPolarHBondContact O-CB 3.46Å; E128-L131 PolarHBondContact O-N 3.06Å; Y129-L131 VanDerWaalsContact C-N 3.28Å; Y129-L131 PolarHBondContact O-N 3.2Å; L131-Y134 PolarHBondContact O-N 2.9Å; L131-R135 WeakPolarHBondContact O-CG 3.46Å; L131-R135 PolarHBondContact O-N 3.25Å
132	D	98.6	Very high	97.8	Very high	2 Å²	2	71.8 Å²	71.8	1%	0.011	37%	0.367	C	S	.	.	H	α-helix	trans	-69.8	-32.3	176.2	-80.2	-13	0	0	0	112.6	E128 Y129 T130 Y134 R135 L136 L172 Y176 L202 Y204	E128-D132 PolarHBondContact O-N 3Å; E128-D132 VanDerWaalsContact O-N 3.1Å; Y129-D132 PolarHBondContact O-N 3.06Å; Y129-D132 VanDerWaalsContact O-N 3.12Å; T130-D132 VanDerWaalsContact C-N 3.34Å; D132-Y134 VanDerWaalsContact C-N 3.3Å; D132-Y134 PolarHBondContact O-N 3.48Å; D132-R135 PolarHBondContact O-N 3.06Å; D132-R135 WeakPolarHBondContact OD1-CD 3.48Å; D132-R135 IonicContact OD1-CZ 3.68Å; D132-R135 IonicContact OD1-NE 2.89Å; D132-R135 IonicContact OD1-NH1 3.65Å; D132-R135 PolarHBondContact OD1-NH1 2.9Å; D132-L136 VanDerWaalsContact O-CB 3.25Å; D132-L136 WeakPolarHBondContact O-CB 3.49Å; D132-L136 PolarHBondContact O-N 3.24Å; D132-L172 HydrophobicContact CB-CD1 4.11Å; D132-L172 HydrophobicContact CB-CD2 3.96Å; D132-Y176 PolarHBondContact OD2-OH 3.09Å; D132-Y176 VanDerWaalsContact OD2-OH 3.09Å; D132-L202 HydrophobicContact CB-CD2 4.03Å; D132-Y204 VanDerWaalsContact OD2-CE2 3.31Å; D132-Y204 WeakPolarHBondContact OD2-CE2 3.35Å; D132-Y204 VanDerWaalsContact OD2-CZ 3.32Å; D132-Y204 PolarHBondContact OD2-OH 2.72Å
133	V	98.2	Very high	97.7	Very high	28 Å²	28	72.6 Å²	72.6	17%	0.17	37%	0.367	C	S	.	.	H	α-helix	trans	-57.3	-45.2	168.3	173.2	0	0	0	0	110.7	Y129 T130 L136 S137 L169 L172	Y129-V133 HydrophobicContact CD1-CG2 3.84Å; Y129-V133 HydrophobicContact CE1-CG2 3.64Å; Y129-V133 WeakPolarHBondContact O-CG2 3.28Å; Y129-V133 PolarHBondContact O-N 3.38Å; T130-V133 WeakPolarHBondContact O-CB 3.35Å; T130-V133 PolarHBondContact O-N 2.87Å; V133-L136 PolarHBondContact O-N 3.08Å; V133-S137 WeakPolarHBondContact O-CB 3.41Å; V133-S137 PolarHBondContact O-N 3.41Å; V133-L169 HydrophobicContact CG1-CD2 4.38Å; V133-L169 HydrophobicContact CG2-CD2 3.62Å; V133-L172 HydrophobicContact CB-CD1 4.41Å; V133-L172 HydrophobicContact CG2-CD1 3.66Å
134	Y	98.3	Very high	97.7	Very high	157 Å²	157	72.7 Å²	72.7	62%	0.616	37%	0.37	S	S	*	.	H	α-helix	trans	-66.2	-41.3	176.6	-70.6	-53.6	0	0	0	112.8	T130 L131 D132 L136 S137 S138	T130-Y134 HydrophobicContact CG2-CD2 4.16Å; T130-Y134 HydrophobicContact CG2-CE2 3.65Å; T130-Y134 WeakPolarHBondContact O-CD2 3.46Å; T130-Y134 PolarHBondContact O-N 2.72Å; T130-Y134 VanDerWaalsContact O-N 3.12Å; L131-Y134 PolarHBondContact O-N 2.9Å; D132-Y134 VanDerWaalsContact C-N 3.3Å; D132-Y134 PolarHBondContact O-N 3.48Å; Y134-L136 VanDerWaalsContact C-N 3.32Å; Y134-L136 PolarHBondContact O-N 3.08Å; Y134-S137 WeakPolarHBondContact CA-OG 3.35Å; Y134-S137 PolarHBondContact O-N 3.49Å; Y134-S137 PolarHBondContact O-OG 3.3Å; Y134-S138 PolarHBondContact O-N 2.95Å; Y134-S138 VanDerWaalsContact O-N 3.17Å
135	R	98.2	Very high	97.6	Very high	126 Å²	126	73.1 Å²	73.1	48%	0.475	37%	0.373	S	S	.	.	H	α-helix	trans	-62.4	-39.9	174.9	-71.4	172.1	176.1	166.8	-6.6	111.9	L131 D132 S138 L202	L131-R135 WeakPolarHBondContact O-CG 3.46Å; L131-R135 PolarHBondContact O-N 3.25Å; D132-R135 PolarHBondContact O-N 3.06Å; D132-R135 WeakPolarHBondContact OD1-CD 3.48Å; D132-R135 IonicContact OD1-CZ 3.68Å; D132-R135 IonicContact OD1-NE 2.89Å; D132-R135 IonicContact OD1-NH1 3.65Å; D132-R135 PolarHBondContact OD1-NH1 2.9Å; R135-S138 PolarHBondContact O-N 3.33Å; R135-S138 PolarHBondContact O-OG 2.9Å; R135-L202 HydrophobicContact CB-CD2 4.37Å; R135-L202 HydrophobicContact CB-CG 4.31Å
136	L	97.9	Very high	97.4	Very high	6 Å²	6	73.6 Å²	73.6	3%	0.031	37%	0.37	C	S	.	.	H	α-helix	trans	-67	-41.2	176.3	-163.3	66	0	0	0	110.7	D132 V133 Y134 S138 V139 V140 G168 L172 L202	D132-L136 VanDerWaalsContact O-CB 3.25Å; D132-L136 WeakPolarHBondContact O-CB 3.49Å; D132-L136 PolarHBondContact O-N 3.24Å; V133-L136 PolarHBondContact O-N 3.08Å; Y134-L136 VanDerWaalsContact C-N 3.32Å; Y134-L136 PolarHBondContact O-N 3.08Å; L136-S138 PolarHBondContact O-N 3.23Å; L136-V139 HydrophobicContact CD1-CG2 4.43Å; L136-V139 WeakPolarHBondContact O-CG2 3.3Å; L136-V139 PolarHBondContact O-N 2.98Å; L136-V139 VanDerWaalsContact O-N 3.15Å; L136-V140 HydrophobicContact CD1-CG2 3.97Å; L136-V140 HydrophobicContact CG-CG2 3.84Å; L136-V140 WeakPolarHBondContact O-CB 3.48Å; L136-V140 VanDerWaalsContact O-CG2 3.28Å; L136-V140 WeakPolarHBondContact O-CG2 3.34Å; L136-V140 PolarHBondContact O-N 3.04Å; L136-G168 VanDerWaalsContact CD2-CA 3.4Å; L136-L172 HydrophobicContact CD2-CD1 4.21Å; L136-L172 HydrophobicContact CD2-CG 4.1Å; L136-L202 HydrophobicContact CB-CD1 4.38Å; L136-L202 HydrophobicContact CB-CD2 4.28Å; L136-L202 HydrophobicContact CD1-CD1 3.6Å; L136-L202 HydrophobicContact CD1-CD2 4.29Å
137	S	97.3	Very high	97.2	Very high	68 Å²	68	78 Å²	78	48%	0.476	39%	0.385	S	S	.	.	H	α-helix	trans	-65	-20.5	178.1	79.3	0	0	0	0	114.3	V133 Y134	V133-S137 WeakPolarHBondContact O-CB 3.41Å; V133-S137 PolarHBondContact O-N 3.41Å; Y134-S137 WeakPolarHBondContact CA-OG 3.35Å; Y134-S137 PolarHBondContact O-N 3.49Å; Y134-S137 PolarHBondContact O-OG 3.3Å
138	S	97.1	Very high	97	Very high	96 Å²	96	70.1 Å²	70.1	67%	0.671	35%	0.352	S	S	*	.	H	α-helix	trans	-84.4	-15.6	177.2	70	0	0	0	0	113.6	Y134 R135 L136	Y134-S138 PolarHBondContact O-N 2.95Å; Y134-S138 VanDerWaalsContact O-N 3.17Å; R135-S138 PolarHBondContact O-N 3.33Å; R135-S138 PolarHBondContact O-OG 2.9Å; L136-S138 PolarHBondContact O-N 3.23Å
139	V	97.4	Very high	96.6	Very high	64 Å²	64	64.8 Å²	64.8	39%	0.388	33%	0.328	S	S	.	.	H	α-helix	trans	-112.4	-25	-179.7	-59.9	0	0	0	0	113.3	L136 Y198 A201 L202	L136-V139 HydrophobicContact CD1-CG2 4.43Å; L136-V139 WeakPolarHBondContact O-CG2 3.3Å; L136-V139 PolarHBondContact O-N 2.98Å; L136-V139 VanDerWaalsContact O-N 3.15Å; V139-Y198 HydrophobicContact CG2-CD1 4.13Å; V139-Y198 HydrophobicContact CG2-CE1 4.45Å; V139-A201 HydrophobicContact CG2-CB 4.38Å; V139-L202 HydrophobicContact CG2-CD1 4.33Å
140	V	98.1	Very high	96	Very high	20 Å²	20	66.5 Å²	66.5	12%	0.121	34%	0.342	C	S	.	.	S	Bend	trans	-82.2	128.6	178.6	174.2	0	0	0	0	110.2	L136 S145 F194 Y198	L136-V140 HydrophobicContact CD1-CG2 3.97Å; L136-V140 HydrophobicContact CG-CG2 3.84Å; L136-V140 WeakPolarHBondContact O-CB 3.48Å; L136-V140 VanDerWaalsContact O-CG2 3.28Å; L136-V140 WeakPolarHBondContact O-CG2 3.34Å; L136-V140 PolarHBondContact O-N 3.04Å; V140-S145 WeakPolarHBondContact CG1-OG 3.41Å; V140-F194 HydrophobicContact CB-CE2 4.49Å; V140-F194 HydrophobicContact CB-CZ 4.34Å; V140-F194 HydrophobicContact CG1-CE2 3.57Å; V140-F194 HydrophobicContact CG1-CZ 3.72Å; V140-F194 HydrophobicContact CG2-CE2 4.03Å; V140-F194 HydrophobicContact CG2-CZ 3.61Å; V140-Y198 HydrophobicContact CB-CE1 4.34Å; V140-Y198 HydrophobicContact CG2-CD1 3.59Å; V140-Y198 HydrophobicContact CG2-CD2 4.01Å; V140-Y198 HydrophobicContact CG2-CE1 3.68Å; V140-Y198 HydrophobicContact CG2-CE2 4.09Å; V140-Y198 HydrophobicContact CG2-CG 3.76Å
141	T	97.5	Very high	95.4	Very high	68 Å²	68	69.4 Å²	69.4	42%	0.417	35%	0.353	S	S	.	.			trans	-79.2	149.1	174	71.8	0	0	0	0	110.7	H143 D144 S145	T141-H143 PolarHBondContact O-N 3.27Å; T141-D144 PolarHBondContact O-N 3.13Å; T141-D144 VanDerWaalsContact O-N 3.09Å; T141-D144 WeakPolarHBondContact OG1-CB 3.33Å; T141-D144 PolarHBondContact OG1-N 3.11Å; T141-D144 VanDerWaalsContact OG1-N 3.11Å; T141-S145 PolarHBondContact O-N 2.99Å
142	Q	95.8	Very high	94.7	Very high	160 Å²	160	67.3 Å²	67.3	75%	0.748	34%	0.343	S	S	*	.	H	α-helix	trans	-55.7	-36.6	174.1	-64.6	179.4	4.8	0	0	112.2	K146	Q142-K146 WeakPolarHBondContact O-CB 3.36Å; Q142-K146 PolarHBondContact O-N 3.36Å
143	H	95.8	Very high	93.9	Very high	126 Å²	126	68.2 Å²	68.2	58%	0.583	35%	0.349	S	S	*	.	H	α-helix	trans	-60.1	-49.4	175.9	171.8	-88	0	0	0	111.5	T141 K146 K147	T141-H143 PolarHBondContact O-N 3.27Å; H143-K146 PolarHBondContact O-N 2.68Å; H143-K147 VanDerWaalsContact O-CB 3.31Å; H143-K147 WeakPolarHBondContact O-CB 3.42Å; H143-K147 PolarHBondContact O-N 3.5Å
144	D	96.6	Very high	93	Very high	33 Å²	33	74.6 Å²	74.6	18%	0.176	37%	0.374	C	S	.	.	H	α-helix	trans	-68.9	-40.4	-177.2	-76.6	8.4	0	0	0	111.6	T141 K147 A148 K197 Y198	T141-D144 PolarHBondContact O-N 3.13Å; T141-D144 VanDerWaalsContact O-N 3.09Å; T141-D144 WeakPolarHBondContact OG1-CB 3.33Å; T141-D144 PolarHBondContact OG1-N 3.11Å; T141-D144 VanDerWaalsContact OG1-N 3.11Å; D144-K147 PolarHBondContact O-N 2.89Å; D144-A148 VanDerWaalsContact O-CB 3.28Å; D144-A148 WeakPolarHBondContact O-CB 3.03Å; D144-A148 PolarHBondContact O-N 3.28Å; D144-K197 IonicContact OD2-NZ 3.26Å; D144-K197 PolarHBondContact OD2-NZ 3.25Å; D144-Y198 HydrophobicContact CB-CE2 4.28Å; D144-Y198 PolarHBondContact OD2-OH 2.99Å
145	S	95.6	Very high	91.9	Very high	14 Å²	14	72.5 Å²	72.5	10%	0.098	37%	0.37	C	S	.	.	H	α-helix	trans	-56.8	-50.2	170.9	-79.8	0	0	0	0	112	V140 T141 K147 A148 G149 L164	V140-S145 WeakPolarHBondContact CG1-OG 3.41Å; T141-S145 PolarHBondContact O-N 2.99Å; S145-K147 VanDerWaalsContact C-N 3.32Å; S145-K147 PolarHBondContact O-N 2.9Å; S145-A148 PolarHBondContact O-N 3.49Å; S145-G149 PolarHBondContact O-N 3.07Å; S145-G149 VanDerWaalsContact O-N 3.09Å; S145-L164 VanDerWaalsContact CB-O 3.31Å; S145-L164 WeakPolarHBondContact CB-O 3.42Å; S145-L164 PolarHBondContact OG-O 3.44Å; S145-L164 VanDerWaalsContact OG-O 3.06Å
146	K	92.9	Very high	91	Very high	125 Å²	125	69.9 Å²	69.9	54%	0.543	37%	0.368	S	S	.	.	H	α-helix	trans	-62.6	-41.3	-179.5	-172.4	178.2	-179.1	179.3	0	111.5	Q142 H143 A150 L164	Q142-K146 WeakPolarHBondContact O-CB 3.36Å; Q142-K146 PolarHBondContact O-N 3.36Å; H143-K146 PolarHBondContact O-N 2.68Å; K146-A150 PolarHBondContact O-N 3.49Å; K146-L164 HydrophobicContact CB-CD2 3.82Å; K146-L164 HydrophobicContact CG-CD2 4.45Å
147	K	94.4	Very high	89.9	Confident	128 Å²	128	78 Å²	78	56%	0.557	41%	0.405	S	S	*	.	H	α-helix	trans	-65.3	-42.5	177.7	-177.5	179.6	175.4	-177.6	0	111.5	H143 D144 S145 A150 K190	H143-K147 VanDerWaalsContact O-CB 3.31Å; H143-K147 WeakPolarHBondContact O-CB 3.42Å; H143-K147 PolarHBondContact O-N 3.5Å; D144-K147 PolarHBondContact O-N 2.89Å; S145-K147 VanDerWaalsContact C-N 3.32Å; S145-K147 PolarHBondContact O-N 2.9Å; K147-A150 WeakPolarHBondContact O-CB 3.41Å; K147-A150 PolarHBondContact O-N 2.98Å; K147-K190 WeakPolarHBondContact O-CD 3.44Å
148	A	94.4	Very high	89.1	Confident	6 Å²	6	81.8 Å²	81.8	5%	0.05	42%	0.415	C	S	.	.	H	α-helix	trans	-63.2	-43.9	-179.9	0	0	0	0	0	112.1	D144 S145 A150 P167 K190 I191 F194	D144-A148 VanDerWaalsContact O-CB 3.28Å; D144-A148 WeakPolarHBondContact O-CB 3.03Å; D144-A148 PolarHBondContact O-N 3.28Å; S145-A148 PolarHBondContact O-N 3.49Å; A148-A150 VanDerWaalsContact C-N 3.35Å; A148-A150 PolarHBondContact O-N 3.28Å; A148-P167 HydrophobicContact CB-CB 3.79Å; A148-P167 HydrophobicContact CB-CG 3.91Å; A148-K190 WeakPolarHBondContact O-CB 3.45Å; A148-I191 WeakPolarHBondContact O-CG1 3.15Å; A148-F194 HydrophobicContact CB-CB 3.78Å; A148-F194 HydrophobicContact CB-CD2 3.69Å; A148-F194 HydrophobicContact CB-CE2 4.46Å; A148-F194 HydrophobicContact CB-CG 3.84Å
149	G	89.5	Confident	88.4	Confident	3 Å²	3	81 Å²	81	3%	0.031	41%	0.408	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-1.5	-179.4	0	0	0	0	0	115.9	S145 E151 V152 V153	S145-G149 PolarHBondContact O-N 3.07Å; S145-G149 VanDerWaalsContact O-N 3.09Å; G149-E151 VanDerWaalsContact C-N 3.28Å; G149-E151 PolarHBondContact O-N 2.97Å; G149-E151 VanDerWaalsContact O-N 3.12Å; G149-V152 PolarHBondContact O-N 3.04Å; G149-V152 VanDerWaalsContact O-N 3.17Å; G149-V153 WeakPolarHBondContact O-CB 3.41Å; G149-V153 PolarHBondContact O-N 2.81Å
150	A	86.8	Confident	87.9	Confident	37 Å²	37	82.3 Å²	82.3	31%	0.306	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-31	-166.2	0	0	0	0	0	115.4	K146 K147 A148 Q155	K146-A150 PolarHBondContact O-N 3.49Å; K147-A150 WeakPolarHBondContact O-CB 3.41Å; K147-A150 PolarHBondContact O-N 2.98Å; A148-A150 VanDerWaalsContact C-N 3.35Å; A148-A150 PolarHBondContact O-N 3.28Å; A150-Q155 PolarHBondContact O-NE2 3.23Å
151	E	84.3	Confident	87.5	Confident	108 Å²	108	87.3 Å²	87.3	51%	0.505	44%	0.438	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.8	-13.5	-177.4	-70.3	176.1	-150.7	0	0	113.6	G149 K190	G149-E151 VanDerWaalsContact C-N 3.28Å; G149-E151 PolarHBondContact O-N 2.97Å; G149-E151 VanDerWaalsContact O-N 3.12Å; E151-K190 WeakPolarHBondContact OE1-CE 3.24Å; E151-K190 IonicContact OE1-NZ 3.64Å; E151-K190 PolarHBondContact OE1-NZ 2.93Å
152	V	84.6	Confident	87.1	Confident	38 Å²	38	85 Å²	85	23%	0.23	42%	0.424	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.6	-47.9	-173.4	-179.7	0	0	0	0	110.9	G149 Y166 D187 Q188 I191	G149-V152 PolarHBondContact O-N 3.04Å; G149-V152 VanDerWaalsContact O-N 3.17Å; V152-Y166 HydrophobicContact CG1-CE1 3.85Å; V152-D187 WeakPolarHBondContact CG2-O 3.33Å; V152-Q188 HydrophobicContact CG2-CG 4.18Å; V152-I191 HydrophobicContact CB-CD1 3.91Å; V152-I191 HydrophobicContact CG1-CD1 4.09Å; V152-I191 HydrophobicContact CG2-CD1 3.74Å; V152-I191 HydrophobicContact CG2-CG1 4.44Å
153	V	81.3	Confident	86.6	Confident	21 Å²	21	78 Å²	78	13%	0.127	40%	0.396	C	S	.	.	S	Bend	trans	-76.8	134.3	179.8	-178.9	0	0	0	0	109.4	G149 Q155 Y166	G149-V153 WeakPolarHBondContact O-CB 3.41Å; G149-V153 PolarHBondContact O-N 2.81Å; V153-Q155 PolarHBondContact O-N 3.32Å; V153-Q155 VanDerWaalsContact O-N 3.15Å; V153-Q155 PolarHBondContact O-NE2 3.4Å; V153-Q155 VanDerWaalsContact O-NE2 3.07Å; V153-Y166 HydrophobicContact CG2-CD1 4.1Å; V153-Y166 HydrophobicContact CG2-CD2 4.35Å; V153-Y166 HydrophobicContact CG2-CG 3.88Å
154	K	78.8	Confident	86.4	Confident	163 Å²	163	74.2 Å²	74.2	71%	0.709	38%	0.379	S	S	*	.	P	Polyproline II helix	trans	-59.6	119.2	179.2	-172.3	178.2	-179.9	-178.7	0	110.9	V156	K154-V156 HydrophobicContact CD-CG1 4.49Å; K154-V156 HydrophobicContact CG-CG1 4.32Å; K154-V156 PolarHBondContact O-N 3.06Å
155	Q	75.2	Confident	86.3	Confident	113 Å²	113	76 Å²	76	53%	0.528	39%	0.389	S	S	.	.	P	Polyproline II helix	trans	-73.2	125.3	174.6	-58.3	-56.3	-48.6	0	0	109.8	A150 V153	A150-Q155 PolarHBondContact O-NE2 3.23Å; V153-Q155 PolarHBondContact O-N 3.32Å; V153-Q155 VanDerWaalsContact O-N 3.15Å; V153-Q155 PolarHBondContact O-NE2 3.4Å; V153-Q155 VanDerWaalsContact O-NE2 3.07Å
156	V	79.7	Confident	86.1	Confident	71 Å²	71	76.3 Å²	76.3	43%	0.43	39%	0.388	S	S	.	.			trans	-132.5	156.5	177.2	-65	0	0	0	0	109.1	K154 H158 P159	K154-V156 HydrophobicContact CD-CG1 4.49Å; K154-V156 HydrophobicContact CG-CG1 4.32Å; K154-V156 PolarHBondContact O-N 3.06Å; V156-H158 WeakPolarHBondContact CG2-O 3.23Å; V156-H158 PolarHBondContact O-N 3.22Å; V156-P159 WeakPolarHBondContact O-CD 3.43Å
157	E	75.1	Confident	86.2	Confident	175 Å²	175	70.3 Å²	70.3	82%	0.818	36%	0.362	S	S	*	.	S	Bend	trans	-58.6	-35.2	-177.2	-171.4	175.2	-176.9	0	0	112.9	P159	E157-P159 WeakPolarHBondContact O-CD 3.4Å
158	H	81.1	Confident	86.4	Confident	148 Å²	148	64.7 Å²	64.7	69%	0.685	34%	0.34	S	S	*	.	S	Bend	trans	-121.3	85	175.4	-56.7	-45.8	0	0	0	110.2	V156 L160	V156-H158 WeakPolarHBondContact CG2-O 3.23Å; V156-H158 PolarHBondContact O-N 3.22Å; H158-L160 PolarHBondContact O-N 3.22Å
159	P	81.4	Confident	86.5	Confident	80 Å²	80	65 Å²	65	52%	0.519	34%	0.341	S	S	.	.			trans	-59.1	132.2	-177.2	-23.6	33.5	0	0	0	112.1	V156 E157	V156-P159 WeakPolarHBondContact O-CD 3.43Å; E157-P159 WeakPolarHBondContact O-CD 3.4Å
160	L	86.6	Confident	86.8	Confident	91 Å²	91	65.4 Å²	65.4	48%	0.476	34%	0.342	S	S	.	.			trans	-80.1	157	176.1	-60	176.3	0	0	0	111	M83 H158 S162 G163	M83-L160 HydrophobicContact CE-CD1 3.27Å; M83-L160 HydrophobicContact SD-CD1 4.25Å; H158-L160 PolarHBondContact O-N 3.22Å; L160-S162 PolarHBondContact O-N 3.31Å; L160-G163 PolarHBondContact O-N 3.41Å
161	L	90.3	Very high	87.4	Confident	125 Å²	125	63.7 Å²	63.7	65%	0.654	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-31.5	175.4	-176.1	61.6	0	0	0	112.5	G163 L164 L165	L161-G163 PolarHBondContact O-N 3.38Å; L161-L164 HydrophobicContact CD1-CD1 4.24Å; L161-L164 WeakPolarHBondContact O-CB 3.35Å; L161-L164 PolarHBondContact O-N 3.38Å; L161-L165 PolarHBondContact O-N 3.28Å
162	S	88	Confident	88.1	Confident	20 Å²	20	58.6 Å²	58.6	14%	0.14	30%	0.304	C	S	.	.	H	α-helix	trans	-54.1	-38.8	177.7	54.5	0	0	0	0	112.5	L80 L160 L164 L165 Y166	L80-S162 PolarHBondContact O-OG 3.06Å; L160-S162 PolarHBondContact O-N 3.31Å; S162-L164 PolarHBondContact O-N 3.06Å; S162-L165 PolarHBondContact O-N 3.05Å; S162-Y166 PolarHBondContact O-N 2.77Å
163	G	86.8	Confident	88.7	Confident	14 Å²	14	56.9 Å²	56.9	14%	0.144	29%	0.293	C	S	.	.	H	α-helix	trans	-65.5	-24.7	178.1	0	0	0	0	0	114.2	L160 L161	L160-G163 PolarHBondContact O-N 3.41Å; L161-G163 PolarHBondContact O-N 3.38Å
164	L	91.7	Very high	89.5	Confident	46 Å²	46	55.9 Å²	55.9	24%	0.241	29%	0.287	C	S	.	.	H	α-helix	trans	-83.9	-24.9	176.9	-60.8	-178.9	0	0	0	112.8	S145 K146 L161 S162	S145-L164 VanDerWaalsContact CB-O 3.31Å; S145-L164 WeakPolarHBondContact CB-O 3.42Å; S145-L164 PolarHBondContact OG-O 3.44Å; S145-L164 VanDerWaalsContact OG-O 3.06Å; K146-L164 HydrophobicContact CB-CD2 3.82Å; K146-L164 HydrophobicContact CG-CD2 4.45Å; L161-L164 HydrophobicContact CD1-CD1 4.24Å; L161-L164 WeakPolarHBondContact O-CB 3.35Å; L161-L164 PolarHBondContact O-N 3.38Å; S162-L164 PolarHBondContact O-N 3.06Å
165	L	93.3	Very high	90.5	Very high	71 Å²	71	50.4 Å²	50.4	37%	0.372	26%	0.264	S	S	.	.	H	α-helix	trans	-78.5	-32.7	176.4	-62.1	176.4	0	0	0	111.5	L161 S162 G168 L169	L161-L165 PolarHBondContact O-N 3.28Å; S162-L165 PolarHBondContact O-N 3.05Å; L165-G168 WeakPolarHBondContact O-CA 3.41Å; L165-G168 PolarHBondContact O-N 3.47Å; L165-L169 PolarHBondContact O-N 3.25Å; L165-L169 VanDerWaalsContact O-N 3.08Å
166	Y	92.5	Very high	91.6	Very high	19 Å²	19	47.8 Å²	47.8	8%	0.075	25%	0.25	C	C	.	.	H	α-helix	trans	-47.1	-52.7	-172.8	-173	-71.8	0	0	0	114.6	H77 D81 V152 V153 S162 G168 L169 Q170 I191	H77-Y166 HydrophobicContact CB-CE2 3.94Å; H77-Y166 AromaticContact CD2-CD2 3.62Å; H77-Y166 AromaticContact CD2-CE2 3.47Å; H77-Y166 VanDerWaalsContact CD2-CE2 3.47Å; H77-Y166 WeakPolarHBondContact CD2-CE2 3.37Å; H77-Y166 AromaticContact CD2-CZ 3.86Å; D81-Y166 WeakPolarHBondContact OD1-CD2 3.07Å; D81-Y166 WeakPolarHBondContact OD2-CE2 3.35Å; V152-Y166 HydrophobicContact CG1-CE1 3.85Å; V153-Y166 HydrophobicContact CG2-CD1 4.1Å; V153-Y166 HydrophobicContact CG2-CD2 4.35Å; V153-Y166 HydrophobicContact CG2-CG 3.88Å; S162-Y166 PolarHBondContact O-N 2.77Å; Y166-G168 PolarHBondContact O-N 3.35Å; Y166-L169 PolarHBondContact O-N 3.4Å; Y166-Q170 VanDerWaalsContact CE1-OE1 3.3Å; Y166-Q170 PolarHBondContact O-N 3.49Å; Y166-Q170 VanDerWaalsContact O-N 3.07Å; Y166-I191 HydrophobicContact CD1-CD1 4.04Å; Y166-I191 HydrophobicContact CE1-CD1 3.85Å
167	P	95.2	Very high	92.5	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-64.1	-31.4	-177.9	-21.8	35.6	0	0	0	112.9	A148 A171 I191 F194	A148-P167 HydrophobicContact CB-CB 3.79Å; A148-P167 HydrophobicContact CB-CG 3.91Å; P167-A171 WeakPolarHBondContact O-CB 3.08Å; P167-A171 PolarHBondContact O-N 3Å; P167-I191 HydrophobicContact CB-CG1 4.37Å; P167-I191 HydrophobicContact CB-CG2 4.39Å; P167-F194 HydrophobicContact CB-CD1 4.09Å; P167-F194 HydrophobicContact CB-CE1 4.1Å; P167-F194 HydrophobicContact CB-CG 4.41Å; P167-F194 HydrophobicContact CB-CZ 4.39Å
168	G	96.9	Very high	93.6	Very high	9 Å²	9	44.4 Å²	44.4	9%	0.093	23%	0.227	C	C	.	.	H	α-helix	trans	-70.3	-40.9	176.9	0	0	0	0	0	112.8	L136 L165 Y166 A171 L172	L136-G168 VanDerWaalsContact CD2-CA 3.4Å; L165-G168 WeakPolarHBondContact O-CA 3.41Å; L165-G168 PolarHBondContact O-N 3.47Å; Y166-G168 PolarHBondContact O-N 3.35Å; G168-A171 PolarHBondContact O-N 3.38Å; G168-L172 WeakPolarHBondContact O-CG 3.48Å; G168-L172 PolarHBondContact O-N 3.07Å
169	L	97	Very high	94.4	Very high	13 Å²	13	37.6 Å²	37.6	7%	0.068	20%	0.196	C	C	.	.	H	α-helix	trans	-61.4	-48.8	175	-60.3	-174.5	0	0	0	111	H77 L80 Y129 V133 L165 Y166 A171 L172 D173	H77-L169 VanDerWaalsContact NE2-CB 3.32Å; H77-L169 WeakPolarHBondContact NE2-CB 3.44Å; L80-L169 HydrophobicContact CD1-CD1 3.64Å; Y129-L169 HydrophobicContact CE1-CD2 3.9Å; Y129-L169 VanDerWaalsContact OH-CA 3.29Å; Y129-L169 WeakPolarHBondContact OH-CA 3.44Å; Y129-L169 PolarHBondContact OH-O 3Å; V133-L169 HydrophobicContact CG1-CD2 4.38Å; V133-L169 HydrophobicContact CG2-CD2 3.62Å; L165-L169 PolarHBondContact O-N 3.25Å; L165-L169 VanDerWaalsContact O-N 3.08Å; Y166-L169 PolarHBondContact O-N 3.4Å; L169-A171 VanDerWaalsContact C-N 3.32Å; L169-A171 PolarHBondContact O-N 3.27Å; L169-L172 PolarHBondContact O-N 3.08Å; L169-D173 PolarHBondContact O-N 3.09Å
170	Q	97	Very high	95.2	Very high	12 Å²	12	35 Å²	35	6%	0.056	18%	0.178	C	C	.	.	H	α-helix	trans	-62.4	-37.7	179	-175.9	171.3	-15.4	0	0	112.4	Y39 Y166 D173 I191	Y39-Q170 PolarHBondContact OH-O 3.07Å; Y166-Q170 VanDerWaalsContact CE1-OE1 3.3Å; Y166-Q170 PolarHBondContact O-N 3.49Å; Y166-Q170 VanDerWaalsContact O-N 3.07Å; Q170-D173 WeakPolarHBondContact O-CB 3.22Å; Q170-D173 PolarHBondContact O-N 2.97Å; Q170-I191 HydrophobicContact CB-CG2 4.05Å; Q170-I191 HydrophobicContact CG-CG2 3.97Å
171	A	98.2	Very high	95.8	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.008	16%	0.155	C	C	.	.	H	α-helix	trans	-64.2	-44.9	175	0	0	0	0	0	112	P167 G168 L169 D173 E174 F194 A195 L199	P167-A171 WeakPolarHBondContact O-CB 3.08Å; P167-A171 PolarHBondContact O-N 3Å; G168-A171 PolarHBondContact O-N 3.38Å; L169-A171 VanDerWaalsContact C-N 3.32Å; L169-A171 PolarHBondContact O-N 3.27Å; A171-D173 PolarHBondContact O-N 2.91Å; A171-E174 WeakPolarHBondContact O-CB 3.31Å; A171-E174 PolarHBondContact O-N 3.44Å; A171-F194 HydrophobicContact CB-CD1 4.34Å; A171-F194 HydrophobicContact CB-CE1 4.32Å; A171-A195 HydrophobicContact CB-CB 3.58Å; A171-L199 HydrophobicContact CB-CD2 4.45Å
172	L	98.4	Very high	96.2	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-65.7	-26.3	178.6	-70.4	173.3	0	0	0	112.7	Y129 D132 V133 L136 G168 L169 E174 E175 Y176 L199 L202 Y204	Y129-L172 HydrophobicContact CD2-CB 4.34Å; Y129-L172 HydrophobicContact CE2-CB 3.58Å; D132-L172 HydrophobicContact CB-CD1 4.11Å; D132-L172 HydrophobicContact CB-CD2 3.96Å; V133-L172 HydrophobicContact CB-CD1 4.41Å; V133-L172 HydrophobicContact CG2-CD1 3.66Å; L136-L172 HydrophobicContact CD2-CD1 4.21Å; L136-L172 HydrophobicContact CD2-CG 4.1Å; G168-L172 WeakPolarHBondContact O-CG 3.48Å; G168-L172 PolarHBondContact O-N 3.07Å; L169-L172 PolarHBondContact O-N 3.08Å; L172-E174 PolarHBondContact O-N 3.32Å; L172-E175 PolarHBondContact O-N 2.9Å; L172-E175 VanDerWaalsContact O-N 3.15Å; L172-Y176 WeakPolarHBondContact O-CD2 3.17Å; L172-Y176 PolarHBondContact O-N 2.81Å; L172-Y176 VanDerWaalsContact O-N 3.08Å; L172-L199 HydrophobicContact CD2-CD2 4.36Å; L172-L202 HydrophobicContact CD2-CD2 3.83Å; L172-Y204 HydrophobicContact CD2-CE2 4.49Å
173	D	98.4	Very high	96.7	Very high	2 Å²	2	23.9 Å²	23.9	1%	0.011	12%	0.118	C	C	.	.	H	α-helix	trans	-58.6	-34	175.5	-65.3	-25.5	0	0	0	111.9	Y39 L72 H77 Y123 Q124 Y129 L169 Q170 A171 E175 Y176 L177	Y39-D173 HydrophobicContact CE2-CB 4.16Å; L72-D173 HydrophobicContact CD2-CB 4.13Å; L72-D173 VanDerWaalsContact CD2-OD2 3.3Å; L72-D173 WeakPolarHBondContact CD2-OD2 3.41Å; H77-D173 IonicContact CE1-OD2 3.78Å; H77-D173 PolarHBondContact CE1-OD2 3.14Å; Y123-D173 WeakPolarHBondContact OH-CB 3.41Å; Y123-D173 PolarHBondContact OH-OD1 3.3Å; Q124-D173 VanDerWaalsContact NE2-CG 3.32Å; Q124-D173 PolarHBondContact NE2-OD1 2.95Å; Q124-D173 PolarHBondContact NE2-OD2 3.06Å; Q124-D173 VanDerWaalsContact NE2-OD2 3.12Å; Y129-D173 PolarHBondContact OH-OD1 2.83Å; Y129-D173 VanDerWaalsContact OH-OD1 3.14Å; L169-D173 PolarHBondContact O-N 3.09Å; Q170-D173 WeakPolarHBondContact O-CB 3.22Å; Q170-D173 PolarHBondContact O-N 2.97Å; A171-D173 PolarHBondContact O-N 2.91Å; D173-E175 VanDerWaalsContact C-N 3.3Å; D173-E175 PolarHBondContact O-N 2.95Å; D173-Y176 PolarHBondContact O-N 3.24Å; D173-L177 HydrophobicContact CB-CD1 4.18Å; D173-L177 WeakPolarHBondContact O-CB 3.31Å; D173-L177 WeakPolarHBondContact O-CD1 3.45Å; D173-L177 WeakPolarHBondContact O-CG 3.37Å; D173-L177 PolarHBondContact O-N 3.32Å
174	E	98.6	Very high	97.2	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-56.7	-43.7	175.6	-70.7	168	-144.3	0	0	112.7	Y39 A171 L172 K178 V179 Q182 A195 L199 R207 H209	Y39-E174 HydrophobicContact CE1-CB 4.43Å; Y39-E174 HydrophobicContact CE1-CG 3.7Å; A171-E174 WeakPolarHBondContact O-CB 3.31Å; A171-E174 PolarHBondContact O-N 3.44Å; L172-E174 PolarHBondContact O-N 3.32Å; E174-K178 PolarHBondContact O-N 2.85Å; E174-V179 HydrophobicContact CB-CG2 4.29Å; E174-V179 WeakPolarHBondContact O-CG2 3.41Å; E174-V179 PolarHBondContact O-N 3.26Å; E174-Q182 HydrophobicContact CG-CB 4.5Å; E174-Q182 PolarHBondContact OE1-OE1 2.88Å; E174-A195 WeakPolarHBondContact OE1-CB 3.44Å; E174-L199 HydrophobicContact CB-CD1 4.15Å; E174-L199 WeakPolarHBondContact OE2-CD1 3.46Å; E174-R207 HydrophobicContact CB-CG 4.06Å; E174-R207 HydrophobicContact CG-CG 4.29Å; E174-R207 VanDerWaalsContact OE2-CB 3.28Å; E174-R207 WeakPolarHBondContact OE2-CB 3.13Å; E174-R207 WeakPolarHBondContact OE2-CD 3.08Å; E174-R207 WeakPolarHBondContact OE2-CG 3.41Å; E174-H209 IonicContact OE1-NE2 3.42Å; E174-H209 PolarHBondContact OE1-NE2 2.95Å
175	E	98.5	Very high	97.4	Very high	48 Å²	48	21.8 Å²	21.8	22%	0.224	11%	0.108	C	C	.	.	H	α-helix	trans	-73.4	-48.9	-179.7	179.6	59.2	-142.9	0	0	111.2	L172 D173 L177 K178 Y204 R207	L172-E175 PolarHBondContact O-N 2.9Å; L172-E175 VanDerWaalsContact O-N 3.15Å; D173-E175 VanDerWaalsContact C-N 3.3Å; D173-E175 PolarHBondContact O-N 2.95Å; E175-L177 VanDerWaalsContact C-N 3.32Å; E175-L177 PolarHBondContact O-N 3.37Å; E175-K178 WeakPolarHBondContact O-CA 3.35Å; E175-K178 WeakPolarHBondContact O-CG 3.33Å; E175-K178 PolarHBondContact O-N 3.45Å; E175-Y204 HydrophobicContact CB-CD2 4.25Å; E175-Y204 HydrophobicContact CB-CG 4.29Å; E175-Y204 VanDerWaalsContact CD-CD1 3.4Å; E175-Y204 HydrophobicContact CG-CD1 3.64Å; E175-Y204 HydrophobicContact CG-CD2 3.9Å; E175-Y204 HydrophobicContact CG-CE1 3.75Å; E175-Y204 HydrophobicContact CG-CE2 3.97Å; E175-Y204 HydrophobicContact CG-CG 3.74Å; E175-R207 IonicContact OE2-CZ 2.67Å; E175-R207 IonicContact OE2-NH1 3.43Å; E175-R207 PolarHBondContact OE2-NH1 3.22Å; E175-R207 IonicContact OE2-NH2 3.41Å; E175-R207 PolarHBondContact OE2-NH2 3.12Å
176	Y	98.4	Very high	97.4	Very high	58 Å²	58	19.6 Å²	19.6	23%	0.227	10%	0.097	C	C	.	.	H	α-helix	trans	-72.1	-27.2	-173.7	-82.2	-101.9	0	0	0	113.2	Y123 E128 Y129 D132 L172 D173	Y123-Y176 HydrophobicContact CD2-CD1 4.06Å; Y123-Y176 HydrophobicContact CD2-CG 4.11Å; Y123-Y176 HydrophobicContact CE2-CG 4.25Å; E128-Y176 HydrophobicContact CB-CE1 4.2Å; E128-Y176 PolarHBondContact O-OH 2.99Å; E128-Y176 VanDerWaalsContact O-OH 3.06Å; Y129-Y176 VanDerWaalsContact CA-CZ 3.46Å; Y129-Y176 VanDerWaalsContact CA-OH 3.29Å; Y129-Y176 WeakPolarHBondContact CA-OH 3.16Å; Y129-Y176 AromaticContact CD2-CD1 3.85Å; Y129-Y176 HydrophobicContact CD2-CD1 3.85Å; Y129-Y176 AromaticContact CD2-CD2 3.57Å; Y129-Y176 HydrophobicContact CD2-CD2 3.57Å; Y129-Y176 HydrophobicContact CD2-CE1 4.05Å; Y129-Y176 AromaticContact CD2-CE2 3.78Å; Y129-Y176 HydrophobicContact CD2-CE2 3.78Å; Y129-Y176 AromaticContact CD2-CG 3.61Å; Y129-Y176 HydrophobicContact CD2-CG 3.61Å; Y129-Y176 HydrophobicContact CE2-CD2 4.1Å; Y129-Y176 HydrophobicContact CE2-CG 4.27Å; Y129-Y176 HydrophobicContact CG-CE1 4.4Å; Y129-Y176 HydrophobicContact CG-CE2 4.48Å; Y129-Y176 PolarHBondContact N-OH 2.87Å; Y129-Y176 VanDerWaalsContact N-OH 3.14Å; D132-Y176 PolarHBondContact OD2-OH 3.09Å; D132-Y176 VanDerWaalsContact OD2-OH 3.09Å; L172-Y176 WeakPolarHBondContact O-CD2 3.17Å; L172-Y176 PolarHBondContact O-N 2.81Å; L172-Y176 VanDerWaalsContact O-N 3.08Å; D173-Y176 PolarHBondContact O-N 3.24Å
177	L	98.3	Very high	97.4	Very high	19 Å²	19	20.9 Å²	20.9	10%	0.099	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-8.6	169.6	-59.9	174	0	0	0	112.6	Y39 T70 L72 I118 Y123 D173 E175 V179	Y39-L177 HydrophobicContact CD1-CD1 4.25Å; Y39-L177 HydrophobicContact CD2-CD1 3.37Å; Y39-L177 HydrophobicContact CE2-CD1 3.75Å; Y39-L177 HydrophobicContact CG-CD1 3.6Å; T70-L177 HydrophobicContact CG2-CD2 4.21Å; L72-L177 HydrophobicContact CB-CD1 4.27Å; L72-L177 HydrophobicContact CD2-CD1 4.25Å; I118-L177 HydrophobicContact CB-CD2 4.41Å; I118-L177 HydrophobicContact CD1-CD2 3.68Å; I118-L177 HydrophobicContact CG2-CD2 4.14Å; Y123-L177 HydrophobicContact CE1-CD2 3.82Å; D173-L177 HydrophobicContact CB-CD1 4.18Å; D173-L177 WeakPolarHBondContact O-CB 3.31Å; D173-L177 WeakPolarHBondContact O-CD1 3.45Å; D173-L177 WeakPolarHBondContact O-CG 3.37Å; D173-L177 PolarHBondContact O-N 3.32Å; E175-L177 VanDerWaalsContact C-N 3.32Å; E175-L177 PolarHBondContact O-N 3.37Å; L177-V179 VanDerWaalsContact C-N 3.35Å; L177-V179 HydrophobicContact CB-CG1 4.07Å; L177-V179 PolarHBondContact O-N 3.2Å
178	K	98.4	Very high	97.3	Very high	157 Å²	157	22.2 Å²	22.2	68%	0.683	11%	0.111	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.6	46.7	178.2	-56.7	-179.1	-179.6	-179	0	112.5	E174 E175	E174-K178 PolarHBondContact O-N 2.85Å; E175-K178 WeakPolarHBondContact O-CA 3.35Å; E175-K178 WeakPolarHBondContact O-CG 3.33Å; E175-K178 PolarHBondContact O-N 3.45Å
179	V	98.6	Very high	97.3	Very high	4 Å²	4	26.4 Å²	26.4	2%	0.024	12%	0.124	C	C	.	.			trans	-100.2	159.1	-178.9	-66.6	0	0	0	0	112.6	K37 Y39 E174 L177 R207	K37-V179 HydrophobicContact CB-CG1 4.47Å; Y39-V179 HydrophobicContact CD1-CB 4.37Å; Y39-V179 HydrophobicContact CD1-CG1 4.3Å; Y39-V179 HydrophobicContact CD1-CG2 3.55Å; Y39-V179 HydrophobicContact CE1-CG2 3.95Å; E174-V179 HydrophobicContact CB-CG2 4.29Å; E174-V179 WeakPolarHBondContact O-CG2 3.41Å; E174-V179 PolarHBondContact O-N 3.26Å; L177-V179 VanDerWaalsContact C-N 3.35Å; L177-V179 HydrophobicContact CB-CG1 4.07Å; L177-V179 PolarHBondContact O-N 3.2Å; V179-R207 PolarHBondContact O-NE 3.43Å
180	D	98.7	Very high	97.4	Very high	27 Å²	27	29.2 Å²	29.2	14%	0.144	14%	0.136	C	C	.	.	S	Bend	trans	-91.2	-27.3	171.1	-56.9	-54.6	0	0	0	112	I30 R34 L36 K37 R207 V208	I30-D180 HydrophobicContact CD1-CB 3.73Å; R34-D180 IonicContact CZ-OD1 3.07Å; R34-D180 IonicContact CZ-OD2 2.61Å; R34-D180 IonicContact NH1-OD1 3.28Å; R34-D180 IonicContact NH1-OD2 3.64Å; R34-D180 PolarHBondContact NH1-OD2 3.23Å; R34-D180 VanDerWaalsContact NH2-CG 3.32Å; R34-D180 IonicContact NH2-OD1 3.43Å; R34-D180 PolarHBondContact NH2-OD1 2.98Å; R34-D180 IonicContact NH2-OD2 3Å; R34-D180 PolarHBondContact NH2-OD2 3.02Å; L36-D180 HydrophobicContact CD1-CB 3.59Å; L36-D180 HydrophobicContact CG-CB 4.49Å; K37-D180 WeakPolarHBondContact CB-OD2 3.46Å; K37-D180 PolarHBondContact N-OD2 3.47Å; K37-D180 WeakPolarHBondContact O-CB 3.36Å; K37-D180 PolarHBondContact O-N 2.75Å; D180-R207 WeakPolarHBondContact O-CA 3.28Å; D180-R207 WeakPolarHBondContact O-CB 3.37Å; D180-R207 WeakPolarHBondContact O-CG 3.28Å; D180-V208 PolarHBondContact O-N 2.84Å
181	A	98.7	Very high	97.4	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	150.1	-173	0	0	0	0	0	113.3	L36 K37 I38 Y39 V208	L36-A181 HydrophobicContact CD1-CB 4.38Å; L36-A181 HydrophobicContact CD2-CB 4.18Å; L36-A181 HydrophobicContact CG-CB 4.45Å; K37-A181 PolarHBondContact O-N 3.37Å; K37-A181 VanDerWaalsContact O-N 3.08Å; I38-A181 WeakPolarHBondContact CA-O 3.44Å; I38-A181 HydrophobicContact CB-CB 4.23Å; I38-A181 HydrophobicContact CD1-CB 3.97Å; I38-A181 HydrophobicContact CG1-CB 3.91Å; Y39-A181 PolarHBondContact N-O 3.14Å; A181-V208 CarbonylContact C-O 3.59Å; A181-V208 WeakPolarHBondContact CA-O 3.15Å; A181-V208 HydrophobicContact CB-CB 3.84Å; A181-V208 HydrophobicContact CB-CG1 4.28Å; A181-V208 WeakPolarHBondContact CB-O 3.4Å
182	Q	98.8	Very high	97.4	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.005	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	134.7	165.3	-173.8	172.8	24	0	0	110.1	Y39 E174 F192 V208 H209 L210	Y39-Q182 HydrophobicContact CD1-CB 3.99Å; Y39-Q182 HydrophobicContact CD1-CG 3.98Å; Y39-Q182 HydrophobicContact CE1-CB 3.49Å; Y39-Q182 VanDerWaalsContact CE1-CB 3.49Å; Y39-Q182 HydrophobicContact CE1-CG 3.39Å; Y39-Q182 HydrophobicContact CE2-CG 4.34Å; Y39-Q182 PolarHBondContact OH-NE2 2.64Å; Y39-Q182 PolarHBondContact OH-OE1 2.99Å; E174-Q182 HydrophobicContact CG-CB 4.5Å; E174-Q182 PolarHBondContact OE1-OE1 2.88Å; Q182-F192 HydrophobicContact CB-CE1 4.5Å; Q182-F192 HydrophobicContact CG-CE1 3.79Å; Q182-F192 HydrophobicContact CG-CZ 4.18Å; Q182-F192 VanDerWaalsContact OE1-CD1 3.3Å; Q182-V208 PolarHBondContact N-O 3.2Å; Q182-H209 WeakPolarHBondContact O-CA 3.49Å; Q182-L210 PolarHBondContact O-N 3.46Å
183	F	98.6	Very high	97.3	Very high	1 Å²	1	31 Å²	31	0%	0.004	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	141.3	170.2	167.6	-113.1	0	0	0	110.5	L18 I38 Y39 W40 P55 K58 I59 F62 L210 N212	L18-F183 HydrophobicContact CD2-CD2 4.33Å; L18-F183 HydrophobicContact CD2-CE2 3.94Å; I38-F183 HydrophobicContact CD1-CB 3.84Å; I38-F183 HydrophobicContact CG1-CB 4.22Å; Y39-F183 PolarHBondContact O-N 2.67Å; W40-F183 HydrophobicContact CB-CD1 3.98Å; W40-F183 AromaticContact CD1-CD1 3.57Å; W40-F183 AromaticContact CD1-CE1 3.94Å; W40-F183 AromaticContact CG-CD1 3.85Å; W40-F183 HydrophobicContact CG-CD1 3.85Å; W40-F183 HydrophobicContact CG-CE1 4.33Å; P55-F183 HydrophobicContact CB-CE1 3.87Å; P55-F183 HydrophobicContact CB-CZ 4.27Å; K58-F183 HydrophobicContact CB-CE1 3.93Å; K58-F183 HydrophobicContact CB-CE2 3.95Å; K58-F183 HydrophobicContact CB-CZ 3.51Å; K58-F183 HydrophobicContact CG-CE2 3.95Å; K58-F183 HydrophobicContact CG-CZ 3.76Å; I59-F183 HydrophobicContact CD1-CD1 4.11Å; I59-F183 HydrophobicContact CD1-CE1 4.45Å; F62-F183 HydrophobicContact CE2-CB 3.81Å; F62-F183 AromaticContact CE2-CD1 3.83Å; F62-F183 HydrophobicContact CE2-CD1 3.83Å; F62-F183 HydrophobicContact CE2-CD2 4.11Å; F62-F183 HydrophobicContact CE2-CE1 4.44Å; F62-F183 AromaticContact CE2-CG 3.64Å; F62-F183 HydrophobicContact CE2-CG 3.64Å; F62-F183 HydrophobicContact CZ-CB 4.11Å; F62-F183 HydrophobicContact CZ-CD1 4.43Å; F62-F183 AromaticContact CZ-CD2 3.89Å; F62-F183 HydrophobicContact CZ-CD2 3.89Å; F62-F183 HydrophobicContact CZ-CE2 4.45Å; F62-F183 AromaticContact CZ-CG 3.89Å; F62-F183 HydrophobicContact CZ-CG 3.89Å; F183-L210 WeakPolarHBondContact CA-O 3.44Å; F183-L210 HydrophobicContact CB-CB 4.36Å; F183-L210 HydrophobicContact CD2-CB 4.05Å; F183-L210 VanDerWaalsContact CD2-O 3.31Å; F183-L210 WeakPolarHBondContact CD2-O 3.49Å; F183-N212 HydrophobicContact CE2-CB 3.88Å; F183-N212 HydrophobicContact CZ-CB 4.1Å; F183-N212 WeakPolarHBondContact CZ-ND2 3.41Å
184	G	97.1	Very high	97.3	Very high	1 Å²	1	31.4 Å²	31.4	1%	0.01	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.4	-169.2	172.3	0	0	0	0	0	112.5	L210 M211 N212	G184-L210 PolarHBondContact N-O 2.73Å; G184-M211 CarbonylContact O-C 3.56Å; G184-M211 WeakPolarHBondContact O-CA 3.41Å; G184-N212 PolarHBondContact O-N 3.12Å
185	G	94.7	Very high	97.3	Very high	15 Å²	15	31.4 Å²	31.4	16%	0.155	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	161.4	171.6	0	0	0	0	0	111.7	D187 Q188	G185-D187 WeakPolarHBondContact CA-OD1 3.33Å; G185-D187 PolarHBondContact O-N 3.13Å; G185-Q188 WeakPolarHBondContact O-CB 3.29Å; G185-Q188 PolarHBondContact O-N 3.29Å
186	V	93.9	Very high	97.3	Very high	24 Å²	24	31.7 Å²	31.7	15%	0.145	15%	0.151	C	C	.	.	G	3₁₀ helix	trans	-63.2	-20.3	176.2	68.1	0	0	0	0	113	Q188 R189 M211 N212 M214	V186-Q188 PolarHBondContact O-N 2.86Å; V186-R189 WeakPolarHBondContact O-CB 3.5Å; V186-R189 PolarHBondContact O-N 3.45Å; V186-R189 VanDerWaalsContact O-N 3.08Å; V186-M211 HydrophobicContact CB-CB 4.41Å; V186-N212 PolarHBondContact N-O 3.29Å; V186-M214 HydrophobicContact CG1-CG 3.66Å; V186-M214 HydrophobicContact CG1-SD 4.1Å
187	D	92.1	Very high	97.3	Very high	47 Å²	47	34.6 Å²	34.6	25%	0.251	17%	0.165	S	C	.	.	G	3₁₀ helix	trans	-61.4	-21.3	169.6	60.8	-38.8	0	0	0	113.2	V152 G185 M214	V152-D187 WeakPolarHBondContact CG2-O 3.33Å; G185-D187 WeakPolarHBondContact CA-OD1 3.33Å; G185-D187 PolarHBondContact O-N 3.13Å; D187-M214 HydrophobicContact CB-CE 4.27Å; D187-M214 HydrophobicContact CB-SD 3.93Å
188	Q	94.6	Very high	97.3	Very high	28 Å²	28	34.5 Å²	34.5	13%	0.131	16%	0.163	C	C	.	.	G	3₁₀ helix	trans	-88.9	-1.9	175.7	-57.3	-172.4	20.1	0	0	113.7	V152 G185 V186 K190 I191 F192	V152-Q188 HydrophobicContact CG2-CG 4.18Å; G185-Q188 WeakPolarHBondContact O-CB 3.29Å; G185-Q188 PolarHBondContact O-N 3.29Å; V186-Q188 PolarHBondContact O-N 2.86Å; Q188-K190 PolarHBondContact O-N 2.97Å; Q188-K190 VanDerWaalsContact O-N 3.07Å; Q188-I191 WeakPolarHBondContact O-CA 3.46Å; Q188-I191 WeakPolarHBondContact O-CB 3.33Å; Q188-I191 PolarHBondContact O-N 3.36Å; Q188-F192 HydrophobicContact CB-CD1 4.37Å; Q188-F192 HydrophobicContact CB-CD2 4.47Å; Q188-F192 HydrophobicContact CB-CE1 3.77Å; Q188-F192 HydrophobicContact CB-CE2 3.94Å; Q188-F192 HydrophobicContact CB-CZ 3.55Å; Q188-F192 HydrophobicContact CG-CZ 4.46Å; Q188-F192 PolarHBondContact O-N 3.09Å
189	R	97.2	Very high	97.3	Very high	97 Å²	97	27.1 Å²	27.1	37%	0.366	13%	0.131	S	C	.	.	H	α-helix	trans	-51.5	-39.6	-174.9	-174.9	-179.9	-166.9	-70.6	-5	113.4	E20 V186 I191 F192 T193 M211	E20-R189 VanDerWaalsContact CD-NE 3.33Å; E20-R189 IonicContact OE1-CZ 3.99Å; E20-R189 IonicContact OE1-NE 2.91Å; E20-R189 PolarHBondContact OE1-NE 3.06Å; E20-R189 VanDerWaalsContact OE1-NE 3.12Å; E20-R189 IonicContact OE1-NH2 2.62Å; E20-R189 PolarHBondContact OE1-NH2 2.97Å; E20-R189 VanDerWaalsContact OE2-CD 3.31Å; E20-R189 WeakPolarHBondContact OE2-CD 3.23Å; E20-R189 IonicContact OE2-CZ 3.49Å; E20-R189 IonicContact OE2-NE 3.49Å; E20-R189 PolarHBondContact OE2-NE 3.22Å; E20-R189 IonicContact OE2-NH2 2.71Å; V186-R189 WeakPolarHBondContact O-CB 3.5Å; V186-R189 PolarHBondContact O-N 3.45Å; V186-R189 VanDerWaalsContact O-N 3.08Å; R189-I191 VanDerWaalsContact C-N 3.34Å; R189-I191 PolarHBondContact O-N 3.11Å; R189-F192 PolarHBondContact O-N 2.94Å; R189-T193 WeakPolarHBondContact O-CG2 3.31Å; R189-T193 PolarHBondContact O-N 3.1Å; R189-T193 PolarHBondContact O-OG1 3.38Å; R189-M211 HydrophobicContact CB-SD 3.58Å; R189-M211 VanDerWaalsContact CB-SD 3.58Å; R189-M211 HydrophobicContact CG-CE 4.37Å; R189-M211 HydrophobicContact CG-SD 3.64Å
190	K	97.4	Very high	97.3	Very high	72 Å²	72	30.1 Å²	30.1	31%	0.313	15%	0.15	S	C	.	.	H	α-helix	trans	-66.9	-35.6	179.6	-67	-178.8	179.2	161	0	112.3	K147 A148 E151 Q188 T193 F194	K147-K190 WeakPolarHBondContact O-CD 3.44Å; A148-K190 WeakPolarHBondContact O-CB 3.45Å; E151-K190 WeakPolarHBondContact OE1-CE 3.24Å; E151-K190 IonicContact OE1-NZ 3.64Å; E151-K190 PolarHBondContact OE1-NZ 2.93Å; Q188-K190 PolarHBondContact O-N 2.97Å; Q188-K190 VanDerWaalsContact O-N 3.07Å; K190-T193 PolarHBondContact O-OG1 3.17Å; K190-T193 VanDerWaalsContact O-OG1 3.08Å; K190-F194 VanDerWaalsContact O-CB 3.28Å; K190-F194 WeakPolarHBondContact O-CB 3.28Å; K190-F194 PolarHBondContact O-N 3.49Å
191	I	97	Very high	97.2	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-69.6	-41.6	174.4	-59.3	-176.8	0	0	0	110.2	A148 V152 Y166 P167 Q170 Q188 R189 F194 A195	A148-I191 WeakPolarHBondContact O-CG1 3.15Å; V152-I191 HydrophobicContact CB-CD1 3.91Å; V152-I191 HydrophobicContact CG1-CD1 4.09Å; V152-I191 HydrophobicContact CG2-CD1 3.74Å; V152-I191 HydrophobicContact CG2-CG1 4.44Å; Y166-I191 HydrophobicContact CD1-CD1 4.04Å; Y166-I191 HydrophobicContact CE1-CD1 3.85Å; P167-I191 HydrophobicContact CB-CG1 4.37Å; P167-I191 HydrophobicContact CB-CG2 4.39Å; Q170-I191 HydrophobicContact CB-CG2 4.05Å; Q170-I191 HydrophobicContact CG-CG2 3.97Å; Q188-I191 WeakPolarHBondContact O-CA 3.46Å; Q188-I191 WeakPolarHBondContact O-CB 3.33Å; Q188-I191 PolarHBondContact O-N 3.36Å; R189-I191 VanDerWaalsContact C-N 3.34Å; R189-I191 PolarHBondContact O-N 3.11Å; I191-F194 WeakPolarHBondContact O-CA 3.37Å; I191-F194 VanDerWaalsContact O-CB 3.3Å; I191-F194 WeakPolarHBondContact O-CB 3.3Å; I191-F194 PolarHBondContact O-N 3.49Å; I191-F194 VanDerWaalsContact O-N 3.13Å; I191-A195 PolarHBondContact O-N 3.15Å
192	F	98.3	Very high	97.1	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-59.9	-50	176.3	-64	-13.6	0	0	0	112.3	Q182 Q188 R189 F194 A195 E196 H209 M211	Q182-F192 HydrophobicContact CB-CE1 4.5Å; Q182-F192 HydrophobicContact CG-CE1 3.79Å; Q182-F192 HydrophobicContact CG-CZ 4.18Å; Q182-F192 VanDerWaalsContact OE1-CD1 3.3Å; Q188-F192 HydrophobicContact CB-CD1 4.37Å; Q188-F192 HydrophobicContact CB-CD2 4.47Å; Q188-F192 HydrophobicContact CB-CE1 3.77Å; Q188-F192 HydrophobicContact CB-CE2 3.94Å; Q188-F192 HydrophobicContact CB-CZ 3.55Å; Q188-F192 HydrophobicContact CG-CZ 4.46Å; Q188-F192 PolarHBondContact O-N 3.09Å; R189-F192 PolarHBondContact O-N 2.94Å; F192-F194 PolarHBondContact O-N 3.23Å; F192-A195 WeakPolarHBondContact O-CB 3.41Å; F192-A195 PolarHBondContact O-N 3.21Å; F192-A195 VanDerWaalsContact O-N 3.11Å; F192-E196 PolarHBondContact O-N 2.97Å; F192-H209 HydrophobicContact CB-CB 4.02Å; F192-H209 WeakPolarHBondContact CB-CD2 3.43Å; F192-H209 AromaticContact CD1-CD2 3.48Å; F192-H209 VanDerWaalsContact CD1-CD2 3.48Å; F192-H209 WeakPolarHBondContact CD1-CD2 3.25Å; F192-H209 HydrophobicContact CD2-CB 3.79Å; F192-H209 AromaticContact CD2-CD2 3.89Å; F192-H209 HydrophobicContact CE2-CB 4.48Å; F192-H209 HydrophobicContact CG-CB 4.01Å; F192-H209 AromaticContact CG-CD2 3.28Å; F192-H209 WeakPolarHBondContact CG-CD2 3.45Å; F192-H209 AromaticContact CG-CG 3.77Å; F192-M211 HydrophobicContact CD2-CG 3.68Å; F192-M211 HydrophobicContact CD2-SD 3.83Å; F192-M211 HydrophobicContact CE2-CG 3.53Å; F192-M211 HydrophobicContact CE2-SD 4.27Å
193	T	97.9	Very high	97	Very high	51 Å²	51	36.6 Å²	36.6	31%	0.313	21%	0.21	S	C	.	.	H	α-helix	trans	-65.4	-26.7	176.1	58.2	0	0	0	0	113.1	L22 R189 K190 K197	L22-T193 HydrophobicContact CD1-CG2 4.17Å; R189-T193 WeakPolarHBondContact O-CG2 3.31Å; R189-T193 PolarHBondContact O-N 3.1Å; R189-T193 PolarHBondContact O-OG1 3.38Å; K190-T193 PolarHBondContact O-OG1 3.17Å; K190-T193 VanDerWaalsContact O-OG1 3.08Å; T193-K197 WeakPolarHBondContact O-CB 3.49Å; T193-K197 PolarHBondContact O-N 2.83Å
194	F	98.4	Very high	97	Very high	9 Å²	9	39.1 Å²	39.1	4%	0.039	22%	0.22	C	C	.	.	H	α-helix	trans	-68.5	-43.9	172.1	170.7	-80.7	0	0	0	111	V140 A148 P167 A171 K190 I191 F192 K197 Y198	V140-F194 HydrophobicContact CB-CE2 4.49Å; V140-F194 HydrophobicContact CB-CZ 4.34Å; V140-F194 HydrophobicContact CG1-CE2 3.57Å; V140-F194 HydrophobicContact CG1-CZ 3.72Å; V140-F194 HydrophobicContact CG2-CE2 4.03Å; V140-F194 HydrophobicContact CG2-CZ 3.61Å; A148-F194 HydrophobicContact CB-CB 3.78Å; A148-F194 HydrophobicContact CB-CD2 3.69Å; A148-F194 HydrophobicContact CB-CE2 4.46Å; A148-F194 HydrophobicContact CB-CG 3.84Å; P167-F194 HydrophobicContact CB-CD1 4.09Å; P167-F194 HydrophobicContact CB-CE1 4.1Å; P167-F194 HydrophobicContact CB-CG 4.41Å; P167-F194 HydrophobicContact CB-CZ 4.39Å; A171-F194 HydrophobicContact CB-CD1 4.34Å; A171-F194 HydrophobicContact CB-CE1 4.32Å; K190-F194 VanDerWaalsContact O-CB 3.28Å; K190-F194 WeakPolarHBondContact O-CB 3.28Å; K190-F194 PolarHBondContact O-N 3.49Å; I191-F194 WeakPolarHBondContact O-CA 3.37Å; I191-F194 VanDerWaalsContact O-CB 3.3Å; I191-F194 WeakPolarHBondContact O-CB 3.3Å; I191-F194 PolarHBondContact O-N 3.49Å; I191-F194 VanDerWaalsContact O-N 3.13Å; F192-F194 PolarHBondContact O-N 3.23Å; F194-K197 PolarHBondContact O-N 3.07Å; F194-Y198 HydrophobicContact CD1-CD2 4.3Å; F194-Y198 AromaticContact CD2-CD2 3.58Å; F194-Y198 HydrophobicContact CD2-CD2 3.58Å; F194-Y198 AromaticContact CD2-CE2 3.68Å; F194-Y198 HydrophobicContact CD2-CE2 3.68Å; F194-Y198 HydrophobicContact CE1-CD2 4.2Å; F194-Y198 AromaticContact CE2-CD2 3.5Å; F194-Y198 HydrophobicContact CE2-CD2 3.5Å; F194-Y198 AromaticContact CE2-CE2 3.55Å; F194-Y198 HydrophobicContact CE2-CE2 3.55Å; F194-Y198 HydrophobicContact CE2-CG 4.49Å; F194-Y198 AromaticContact CG-CD2 3.99Å; F194-Y198 HydrophobicContact CG-CD2 3.99Å; F194-Y198 HydrophobicContact CG-CE2 4.5Å; F194-Y198 AromaticContact CZ-CD2 3.83Å; F194-Y198 HydrophobicContact CZ-CD2 3.83Å; F194-Y198 HydrophobicContact CZ-CE2 4.26Å; F194-Y198 HydrophobicContact CZ-CG 4.44Å; F194-Y198 WeakPolarHBondContact O-CD2 3.28Å; F194-Y198 PolarHBondContact O-N 3.08Å
195	A	98.5	Very high	97	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-62.4	-45.2	175.6	0	0	0	0	0	111.8	A171 E174 I191 F192 K197 Y198 L199	A171-A195 HydrophobicContact CB-CB 3.58Å; E174-A195 WeakPolarHBondContact OE1-CB 3.44Å; I191-A195 PolarHBondContact O-N 3.15Å; F192-A195 WeakPolarHBondContact O-CB 3.41Å; F192-A195 PolarHBondContact O-N 3.21Å; F192-A195 VanDerWaalsContact O-N 3.11Å; A195-K197 PolarHBondContact O-N 3.21Å; A195-Y198 PolarHBondContact O-N 2.93Å; A195-L199 HydrophobicContact CB-CD1 4.28Å; A195-L199 WeakPolarHBondContact O-CB 3.43Å; A195-L199 WeakPolarHBondContact O-CG 3.41Å; A195-L199 PolarHBondContact O-N 3.43Å
196	E	97.7	Very high	97.2	Very high	54 Å²	54	48.5 Å²	48.5	25%	0.252	27%	0.266	S	S	.	.	H	α-helix	trans	-57.7	-35.7	175.4	-68.8	-170.5	-172.5	0	0	113	L22 F192 P200 H209	L22-E196 WeakPolarHBondContact CB-OE1 3.28Å; F192-E196 PolarHBondContact O-N 2.97Å; E196-P200 WeakPolarHBondContact O-CD 3.42Å; E196-P200 WeakPolarHBondContact O-CG 3.25Å; E196-H209 VanDerWaalsContact CG-CE1 3.4Å; E196-H209 WeakPolarHBondContact CG-CE1 3.4Å; E196-H209 IonicContact OE1-CE1 3.65Å; E196-H209 IonicContact OE1-CG 3.71Å; E196-H209 IonicContact OE1-ND1 2.92Å; E196-H209 PolarHBondContact OE1-ND1 2.93Å
197	K	97.9	Very high	97.4	Very high	120 Å²	120	48.6 Å²	48.6	52%	0.522	26%	0.264	S	S	.	.	H	α-helix	trans	-74.2	-43.4	178.6	178.9	-179.1	173.8	-175	0	112.3	D144 T193 F194 A195	D144-K197 IonicContact OD2-NZ 3.26Å; D144-K197 PolarHBondContact OD2-NZ 3.25Å; T193-K197 WeakPolarHBondContact O-CB 3.49Å; T193-K197 PolarHBondContact O-N 2.83Å; F194-K197 PolarHBondContact O-N 3.07Å; A195-K197 PolarHBondContact O-N 3.21Å
198	Y	98.3	Very high	97.7	Very high	17 Å²	17	46.4 Å²	46.4	7%	0.067	25%	0.252	C	S	.	.	H	α-helix	trans	-102.7	-24.9	-164.6	-77.4	-72.1	0	0	0	115.5	V139 V140 D144 F194 A195 P200 A201	V139-Y198 HydrophobicContact CG2-CD1 4.13Å; V139-Y198 HydrophobicContact CG2-CE1 4.45Å; V140-Y198 HydrophobicContact CB-CE1 4.34Å; V140-Y198 HydrophobicContact CG2-CD1 3.59Å; V140-Y198 HydrophobicContact CG2-CD2 4.01Å; V140-Y198 HydrophobicContact CG2-CE1 3.68Å; V140-Y198 HydrophobicContact CG2-CE2 4.09Å; V140-Y198 HydrophobicContact CG2-CG 3.76Å; D144-Y198 HydrophobicContact CB-CE2 4.28Å; D144-Y198 PolarHBondContact OD2-OH 2.99Å; F194-Y198 HydrophobicContact CD1-CD2 4.3Å; F194-Y198 AromaticContact CD2-CD2 3.58Å; F194-Y198 HydrophobicContact CD2-CD2 3.58Å; F194-Y198 AromaticContact CD2-CE2 3.68Å; F194-Y198 HydrophobicContact CD2-CE2 3.68Å; F194-Y198 HydrophobicContact CE1-CD2 4.2Å; F194-Y198 AromaticContact CE2-CD2 3.5Å; F194-Y198 HydrophobicContact CE2-CD2 3.5Å; F194-Y198 AromaticContact CE2-CE2 3.55Å; F194-Y198 HydrophobicContact CE2-CE2 3.55Å; F194-Y198 HydrophobicContact CE2-CG 4.49Å; F194-Y198 AromaticContact CG-CD2 3.99Å; F194-Y198 HydrophobicContact CG-CD2 3.99Å; F194-Y198 HydrophobicContact CG-CE2 4.5Å; F194-Y198 AromaticContact CZ-CD2 3.83Å; F194-Y198 HydrophobicContact CZ-CD2 3.83Å; F194-Y198 HydrophobicContact CZ-CE2 4.26Å; F194-Y198 HydrophobicContact CZ-CG 4.44Å; F194-Y198 WeakPolarHBondContact O-CD2 3.28Å; F194-Y198 PolarHBondContact O-N 3.08Å; A195-Y198 PolarHBondContact O-N 2.93Å; Y198-P200 VanDerWaalsContact C-N 3.33Å; Y198-A201 WeakPolarHBondContact O-CB 3.21Å; Y198-A201 PolarHBondContact O-N 2.8Å
199	L	98.3	Very high	97.9	Very high	1 Å²	1	45 Å²	45	1%	0.005	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-57.3	-40.8	173.4	-72.5	179.1	0	0	0	113	A171 L172 E174 A195 A201 L202 G203 Y204	A171-L199 HydrophobicContact CB-CD2 4.45Å; L172-L199 HydrophobicContact CD2-CD2 4.36Å; E174-L199 HydrophobicContact CB-CD1 4.15Å; E174-L199 WeakPolarHBondContact OE2-CD1 3.46Å; A195-L199 HydrophobicContact CB-CD1 4.28Å; A195-L199 WeakPolarHBondContact O-CB 3.43Å; A195-L199 WeakPolarHBondContact O-CG 3.41Å; A195-L199 PolarHBondContact O-N 3.43Å; L199-A201 PolarHBondContact O-N 3.27Å; L199-L202 PolarHBondContact O-N 2.89Å; L199-G203 PolarHBondContact O-N 3.39Å; L199-Y204 CarbonylContact C-O 3.27Å; L199-Y204 HydrophobicContact CD2-CD2 4.3Å; L199-Y204 PolarHBondContact O-N 2.96Å
200	P	98.3	Very high	97.9	Very high	67 Å²	67	40.4 Å²	40.4	44%	0.435	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-61	-27.9	174.4	-26.6	37	0	0	0	114.5	E196 Y198 L202 G203 Y204	E196-P200 WeakPolarHBondContact O-CD 3.42Å; E196-P200 WeakPolarHBondContact O-CG 3.25Å; Y198-P200 VanDerWaalsContact C-N 3.33Å; P200-L202 PolarHBondContact O-N 3.25Å; P200-G203 PolarHBondContact O-N 3.47Å; P200-Y204 VanDerWaalsContact CA-O 3.31Å; P200-Y204 WeakPolarHBondContact CA-O 3.43Å
201	A	96.9	Very high	98	Very high	64 Å²	64	37 Å²	37	53%	0.529	21%	0.213	S	C	.	.	G	3₁₀ helix	trans	-68	-21.5	177.2	0	0	0	0	0	112.6	V139 Y198 L199	V139-A201 HydrophobicContact CG2-CB 4.38Å; Y198-A201 WeakPolarHBondContact O-CB 3.21Å; Y198-A201 PolarHBondContact O-N 2.8Å; L199-A201 PolarHBondContact O-N 3.27Å
202	L	96.6	Very high	97.8	Very high	31 Å²	31	37.4 Å²	37.4	16%	0.162	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-94.7	0.2	172.5	-82.8	64.8	0	0	0	112.4	D132 R135 L136 V139 L172 L199 P200 Y204	D132-L202 HydrophobicContact CB-CD2 4.03Å; R135-L202 HydrophobicContact CB-CD2 4.37Å; R135-L202 HydrophobicContact CB-CG 4.31Å; L136-L202 HydrophobicContact CB-CD1 4.38Å; L136-L202 HydrophobicContact CB-CD2 4.28Å; L136-L202 HydrophobicContact CD1-CD1 3.6Å; L136-L202 HydrophobicContact CD1-CD2 4.29Å; V139-L202 HydrophobicContact CG2-CD1 4.33Å; L172-L202 HydrophobicContact CD2-CD2 3.83Å; L199-L202 PolarHBondContact O-N 2.89Å; P200-L202 PolarHBondContact O-N 3.25Å; L202-Y204 HydrophobicContact CB-CD2 3.71Å; L202-Y204 HydrophobicContact CB-CE2 3.88Å; L202-Y204 HydrophobicContact CD2-CD2 4.41Å; L202-Y204 HydrophobicContact CD2-CE2 4.13Å
203	G	97.7	Very high	97.4	Very high	69 Å²	69	38.7 Å²	38.7	71%	0.711	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	84.6	10.9	-176	0	0	0	0	0	114.4	L199 P200	L199-G203 PolarHBondContact O-N 3.39Å; P200-G203 PolarHBondContact O-N 3.47Å
204	Y	98.4	Very high	96.8	Very high	55 Å²	55	41.7 Å²	41.7	22%	0.216	24%	0.236	C	C	.	.	P	Polyproline II helix	trans	-93.5	154.1	178.4	-59	-45.6	0	0	0	112.2	D132 L172 E175 L199 P200 L202	D132-Y204 VanDerWaalsContact OD2-CE2 3.31Å; D132-Y204 WeakPolarHBondContact OD2-CE2 3.35Å; D132-Y204 VanDerWaalsContact OD2-CZ 3.32Å; D132-Y204 PolarHBondContact OD2-OH 2.72Å; L172-Y204 HydrophobicContact CD2-CE2 4.49Å; E175-Y204 HydrophobicContact CB-CD2 4.25Å; E175-Y204 HydrophobicContact CB-CG 4.29Å; E175-Y204 VanDerWaalsContact CD-CD1 3.4Å; E175-Y204 HydrophobicContact CG-CD1 3.64Å; E175-Y204 HydrophobicContact CG-CD2 3.9Å; E175-Y204 HydrophobicContact CG-CE1 3.75Å; E175-Y204 HydrophobicContact CG-CE2 3.97Å; E175-Y204 HydrophobicContact CG-CG 3.74Å; L199-Y204 CarbonylContact C-O 3.27Å; L199-Y204 HydrophobicContact CD2-CD2 4.3Å; L199-Y204 PolarHBondContact O-N 2.96Å; P200-Y204 VanDerWaalsContact CA-O 3.31Å; P200-Y204 WeakPolarHBondContact CA-O 3.43Å; L202-Y204 HydrophobicContact CB-CD2 3.71Å; L202-Y204 HydrophobicContact CB-CE2 3.88Å; L202-Y204 HydrophobicContact CD2-CD2 4.41Å; L202-Y204 HydrophobicContact CD2-CE2 4.13Å
205	S	97.4	Very high	95.8	Very high	76 Å²	76	42.8 Å²	42.8	53%	0.531	24%	0.243	S	C	.	.	P	Polyproline II helix	trans	-69	150	177.9	-174.2	0	0	0	0	111.5	R207	S205-R207 WeakPolarHBondContact O-CD 3.35Å; S205-R207 PolarHBondContact O-NH1 3.42Å
206	K	97.4	Very high	94.5	Very high	136 Å²	136	44.6 Å²	44.6	59%	0.591	26%	0.255	S	S	*	.	P	Polyproline II helix	trans	-68.3	150.2	159.4	65.1	-179.3	-176.9	177.5	0	110.3
207	R	98.3	Very high	93.1	Very high	26 Å²	26	42.1 Å²	42.1	10%	0.098	24%	0.243	C	C	.	.			trans	-109.7	165	177.2	-83.2	63.5	-170.6	-173	-2.9	111.6	E174 E175 V179 D180 S205 H209	E174-R207 HydrophobicContact CB-CG 4.06Å; E174-R207 HydrophobicContact CG-CG 4.29Å; E174-R207 VanDerWaalsContact OE2-CB 3.28Å; E174-R207 WeakPolarHBondContact OE2-CB 3.13Å; E174-R207 WeakPolarHBondContact OE2-CD 3.08Å; E174-R207 WeakPolarHBondContact OE2-CG 3.41Å; E175-R207 IonicContact OE2-CZ 2.67Å; E175-R207 IonicContact OE2-NH1 3.43Å; E175-R207 PolarHBondContact OE2-NH1 3.22Å; E175-R207 IonicContact OE2-NH2 3.41Å; E175-R207 PolarHBondContact OE2-NH2 3.12Å; V179-R207 PolarHBondContact O-NE 3.43Å; D180-R207 WeakPolarHBondContact O-CA 3.28Å; D180-R207 WeakPolarHBondContact O-CB 3.37Å; D180-R207 WeakPolarHBondContact O-CG 3.28Å; S205-R207 WeakPolarHBondContact O-CD 3.35Å; S205-R207 PolarHBondContact O-NH1 3.42Å; R207-H209 PolarHBondContact O-CE1 2.83Å; R207-H209 PolarHBondContact O-ND1 3.14Å
208	V	98.6	Very high	91.7	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.006	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	136.6	170.5	176.1	0	0	0	0	108.9	L22 K26 L27 D180 A181 Q182 L210	L22-V208 WeakPolarHBondContact O-CA 3.3Å; L22-V208 VanDerWaalsContact O-CG1 3.3Å; L22-V208 WeakPolarHBondContact O-CG1 3.37Å; K26-V208 HydrophobicContact CB-CG2 4.22Å; L27-V208 HydrophobicContact CB-CG1 4.19Å; L27-V208 HydrophobicContact CB-CG2 4.19Å; L27-V208 HydrophobicContact CD2-CG1 4.44Å; D180-V208 PolarHBondContact O-N 2.84Å; A181-V208 CarbonylContact C-O 3.59Å; A181-V208 WeakPolarHBondContact CA-O 3.15Å; A181-V208 HydrophobicContact CB-CB 3.84Å; A181-V208 HydrophobicContact CB-CG1 4.28Å; A181-V208 WeakPolarHBondContact CB-O 3.4Å; Q182-V208 PolarHBondContact N-O 3.2Å; V208-L210 HydrophobicContact CG1-CD2 3.97Å; V208-L210 HydrophobicContact CG1-CG 4.43Å
209	H	98.8	Very high	90.1	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	124.7	177.7	-61.1	96.5	0	0	0	111.3	V21 L22 E174 Q182 F192 E196 R207	V21-H209 WeakPolarHBondContact CA-O 3.43Å; L22-H209 HydrophobicContact CB-CB 4.13Å; L22-H209 HydrophobicContact CD1-CB 4.32Å; L22-H209 PolarHBondContact N-O 2.92Å; L22-H209 PolarHBondContact O-N 3.4Å; E174-H209 IonicContact OE1-NE2 3.42Å; E174-H209 PolarHBondContact OE1-NE2 2.95Å; Q182-H209 WeakPolarHBondContact O-CA 3.49Å; F192-H209 HydrophobicContact CB-CB 4.02Å; F192-H209 WeakPolarHBondContact CB-CD2 3.43Å; F192-H209 AromaticContact CD1-CD2 3.48Å; F192-H209 VanDerWaalsContact CD1-CD2 3.48Å; F192-H209 WeakPolarHBondContact CD1-CD2 3.25Å; F192-H209 HydrophobicContact CD2-CB 3.79Å; F192-H209 AromaticContact CD2-CD2 3.89Å; F192-H209 HydrophobicContact CE2-CB 4.48Å; F192-H209 HydrophobicContact CG-CB 4.01Å; F192-H209 AromaticContact CG-CD2 3.28Å; F192-H209 WeakPolarHBondContact CG-CD2 3.45Å; F192-H209 AromaticContact CG-CG 3.77Å; E196-H209 VanDerWaalsContact CG-CE1 3.4Å; E196-H209 WeakPolarHBondContact CG-CE1 3.4Å; E196-H209 IonicContact OE1-CE1 3.65Å; E196-H209 IonicContact OE1-CG 3.71Å; E196-H209 IonicContact OE1-ND1 2.92Å; E196-H209 PolarHBondContact OE1-ND1 2.93Å; R207-H209 PolarHBondContact O-CE1 2.83Å; R207-H209 PolarHBondContact O-ND1 3.14Å
210	L	98.6	Very high	88	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	118	-179.2	-58.8	-173	0	0	0	109.5	I14 L18 V21 L27 I38 F62 Q182 F183 G184 V208	I14-L210 HydrophobicContact CG2-CD1 3.49Å; I14-L210 VanDerWaalsContact CG2-CD1 3.49Å; L18-L210 HydrophobicContact CD1-CB 3.69Å; L18-L210 HydrophobicContact CD1-CD1 4.27Å; L18-L210 HydrophobicContact CD1-CD2 3.78Å; L18-L210 HydrophobicContact CD1-CG 4.12Å; V21-L210 HydrophobicContact CB-CD2 4.37Å; V21-L210 HydrophobicContact CG1-CD2 3.8Å; V21-L210 HydrophobicContact CG2-CD2 4Å; L27-L210 HydrophobicContact CD2-CD2 4.46Å; I38-L210 HydrophobicContact CD1-CD1 3.52Å; I38-L210 HydrophobicContact CD1-CG 4.34Å; F62-L210 HydrophobicContact CE1-CD1 3.8Å; F62-L210 HydrophobicContact CZ-CD1 3.85Å; Q182-L210 PolarHBondContact O-N 3.46Å; F183-L210 WeakPolarHBondContact CA-O 3.44Å; F183-L210 HydrophobicContact CB-CB 4.36Å; F183-L210 HydrophobicContact CD2-CB 4.05Å; F183-L210 VanDerWaalsContact CD2-O 3.31Å; F183-L210 WeakPolarHBondContact CD2-O 3.49Å; G184-L210 PolarHBondContact N-O 2.73Å; V208-L210 HydrophobicContact CG1-CD2 3.97Å; V208-L210 HydrophobicContact CG1-CG 4.43Å
211	M	98	Very high	85.8	Confident	0 Å²	0	39 Å²	39	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	118.4	-172.2	-75	168.7	-81.3	0	0	112.1	Q19 E20 L22 G184 V186 R189 F192	Q19-M211 PolarHBondContact N-O 3.25Å; E20-M211 HydrophobicContact CB-CB 4.28Å; E20-M211 HydrophobicContact CB-CE 3.76Å; E20-M211 HydrophobicContact CB-SD 4.5Å; E20-M211 HydrophobicContact CG-CE 3.6Å; E20-M211 PolarHBondContact N-O 3.5Å; E20-M211 PolarHBondContact O-N 2.92Å; L22-M211 HydrophobicContact CD1-CE 3.76Å; L22-M211 HydrophobicContact CG-CE 3.68Å; G184-M211 CarbonylContact O-C 3.56Å; G184-M211 WeakPolarHBondContact O-CA 3.41Å; V186-M211 HydrophobicContact CB-CB 4.41Å; R189-M211 HydrophobicContact CB-SD 3.58Å; R189-M211 VanDerWaalsContact CB-SD 3.58Å; R189-M211 HydrophobicContact CG-CE 4.37Å; R189-M211 HydrophobicContact CG-SD 3.64Å; F192-M211 HydrophobicContact CD2-CG 3.68Å; F192-M211 HydrophobicContact CD2-SD 3.83Å; F192-M211 HydrophobicContact CE2-CG 3.53Å; F192-M211 HydrophobicContact CE2-SD 4.27Å
212	N	94	Very high	83.5	Confident	8 Å²	8	45.4 Å²	45.4	4%	0.043	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	148.7	170.2	-107.9	5.6	0	0	0	111.3	L18 K58 F183 G184 V186	L18-N212 VanDerWaalsContact CD2-OD1 3.24Å; L18-N212 WeakPolarHBondContact CD2-OD1 3.46Å; K58-N212 WeakPolarHBondContact CG-ND2 3.45Å; K58-N212 WeakPolarHBondContact CG-OD1 3.28Å; F183-N212 HydrophobicContact CE2-CB 3.88Å; F183-N212 HydrophobicContact CZ-CB 4.1Å; F183-N212 WeakPolarHBondContact CZ-ND2 3.41Å; G184-N212 PolarHBondContact O-N 3.12Å; V186-N212 PolarHBondContact N-O 3.29Å
213	P	90.3	Very high	81.2	Confident	28 Å²	28	46.3 Å²	46.3	18%	0.182	26%	0.264	C	S	.	.			trans	-66.8	157.5	173	27.5	-32.8	0	0	0	112.1	N17 Q19 V215 H266	N17-P213 WeakPolarHBondContact O-CD 3.39Å; Q19-P213 HydrophobicContact CB-CB 4.08Å; Q19-P213 VanDerWaalsContact OE1-CA 3.28Å; P213-V215 HydrophobicContact CG-CG2 4.43Å; P213-V215 PolarHBondContact O-N 3.14Å; P213-H266 VanDerWaalsContact CG-CE1 3.45Å; P213-H266 WeakPolarHBondContact CG-CE1 3.45Å
214	M	84.1	Confident	78.6	Confident	113 Å²	113	45.5 Å²	45.5	56%	0.557	25%	0.248	S	C	*	.			trans	-73.1	97.9	169.4	-62	-51.2	-72.3	0	0	109.6	V186 D187	V186-M214 HydrophobicContact CG1-CG 3.66Å; V186-M214 HydrophobicContact CG1-SD 4.1Å; D187-M214 HydrophobicContact CB-CE 4.27Å; D187-M214 HydrophobicContact CB-SD 3.93Å
215	V	77.9	Confident	76.3	Confident	32 Å²	32	47.3 Å²	47.3	19%	0.194	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-77.9	125.4	179.6	177.7	0	0	0	0	110	V54 P213 H266	V54-V215 HydrophobicContact CG1-CB 4.42Å; V54-V215 HydrophobicContact CG1-CG2 3.75Å; V54-V215 HydrophobicContact CG2-CB 4.1Å; V54-V215 HydrophobicContact CG2-CG1 4.05Å; V54-V215 HydrophobicContact CG2-CG2 4.1Å; P213-V215 HydrophobicContact CG-CG2 4.43Å; P213-V215 PolarHBondContact O-N 3.14Å; V215-H266 HydrophobicContact CG2-CB 4.25Å
216	P	71.6	Confident	73.9	Confident	39 Å²	39	48.5 Å²	48.5	25%	0.253	28%	0.277	S	S	.	.	P	Polyproline II helix	trans	-56.1	150	174.8	-23.3	32.5	0	0	0	111.8
217	G	68.2	Low	71.8	Confident	1 Å²	1	47.9 Å²	47.9	1%	0.01	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-59.2	146.2	170.9	0	0	0	0	0	112	T219 G220 S221 M223 G259	G217-T219 PolarHBondContact O-N 2.59Å; G217-G220 PolarHBondContact O-N 2.9Å; G217-S221 PolarHBondContact N-O 2.79Å; G217-M223 WeakPolarHBondContact CA-SD 3.3Å; G217-G259 WeakPolarHBondContact O-CA 3.37Å
218	L	68.7	Low	69.8	Low	8 Å²	8	55.1 Å²	55.1	4%	0.042	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-19.8	176.7	-174.2	58	0	0	0	112.7	V50 I232 L245 A248 V260 F263 V313 L317	V50-L218 HydrophobicContact CG2-CD2 4.1Å; L218-I232 HydrophobicContact CD2-CD1 3.59Å; L218-I232 HydrophobicContact CD2-CG1 4.42Å; L218-L245 HydrophobicContact CD1-CD2 3.92Å; L218-L245 HydrophobicContact CD2-CD2 3.73Å; L218-L245 HydrophobicContact CD2-CG 4.39Å; L218-L245 HydrophobicContact CG-CD2 3.78Å; L218-A248 WeakPolarHBondContact O-CB 3.27Å; L218-V260 HydrophobicContact CD1-CB 4.45Å; L218-V260 HydrophobicContact CD1-CG2 4.15Å; L218-F263 HydrophobicContact CD1-CB 3.91Å; L218-F263 HydrophobicContact CD1-CG 4.22Å; L218-V313 HydrophobicContact CD1-CG1 4.47Å; L218-L317 HydrophobicContact CD2-CD2 4.22Å
219	T	65	Low	67.8	Low	29 Å²	29	61.3 Å²	61.3	18%	0.178	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.1	-3.9	178.8	50.6	0	0	0	0	115	G217 S230 F249	G217-T219 PolarHBondContact O-N 2.59Å; T219-S230 WeakPolarHBondContact CB-O 3.32Å; T219-S230 VanDerWaalsContact CG2-O 3.22Å; T219-S230 WeakPolarHBondContact CG2-O 3.29Å; T219-S230 PolarHBondContact OG1-O 2.91Å; T219-F249 PolarHBondContact O-N 3.11Å
220	G	52.6	Low	66.2	Low	32 Å²	32	62.2 Å²	62.2	33%	0.33	35%	0.346	S	S	.	.	S	Bend	trans	107.4	3.3	166.7	0	0	0	0	0	118.1	G217	G217-G220 PolarHBondContact O-N 2.9Å
221	S	52.2	Low	65.1	Low	70 Å²	70	63.3 Å²	63.3	49%	0.49	35%	0.351	S	S	.	.	S	Bend	trans	-136.5	169.7	175.6	65.4	0	0	0	0	113.4	G217 M223	G217-S221 PolarHBondContact N-O 2.79Å; S221-M223 PolarHBondContact O-N 3.12Å; S221-M223 VanDerWaalsContact O-N 3.13Å
222	K	48.4	Very low	64.6	Low	200 Å²	200	63.5 Å²	63.5	87%	0.87	35%	0.352	S	S	*	.			trans	-58.1	115.8	176.4	-167.3	175.4	-176	175.3	0	108.6	S224	K222-S224 PolarHBondContact O-N 3.34Å
223	M	48.2	Very low	64.5	Low	49 Å²	49	64.2 Å²	64.2	24%	0.241	36%	0.356	C	S	.	.			trans	-73.4	97.3	-163.1	-75.9	-130.4	-71.7	0	0	114.5	H49 A51 G217 S221 K231	H49-M223 WeakPolarHBondContact CE1-CE 3.42Å; A51-M223 HydrophobicContact CB-CE 3.11Å; G217-M223 WeakPolarHBondContact CA-SD 3.3Å; S221-M223 PolarHBondContact O-N 3.12Å; S221-M223 VanDerWaalsContact O-N 3.13Å; M223-K231 PolarHBondContact O-NZ 3.34Å; M223-K231 VanDerWaalsContact O-NZ 3.07Å; M223-K231 HydrophobicContact SD-CG 4.16Å
224	S	44.9	Very low	64.7	Low	53 Å²	53	62.9 Å²	62.9	37%	0.371	35%	0.347	S	S	.	.			trans	-77.4	127.2	171.5	-179	0	0	0	0	112.1	K222 S226 K231	K222-S224 PolarHBondContact O-N 3.34Å; S224-S226 PolarHBondContact O-N 3.1Å; S224-S226 WeakPolarHBondContact OG-CB 3.46Å; S224-S226 PolarHBondContact OG-N 3.2Å; S224-K231 WeakPolarHBondContact O-CD 3.21Å; S224-K231 WeakPolarHBondContact O-CE 3.36Å; S224-K231 PolarHBondContact O-NZ 3Å; S224-K231 VanDerWaalsContact O-NZ 3.13Å
225	S	50.1	Low	65.1	Low	92 Å²	92	59.6 Å²	59.6	64%	0.643	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-1.5	173.6	53.4	0	0	0	0	113.9
226	S	45.2	Very low	65.9	Low	102 Å²	102	59.2 Å²	59.2	71%	0.713	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.6	-7.5	-173	-55.5	0	0	0	0	114.7	S224	S224-S226 PolarHBondContact O-N 3.1Å; S224-S226 WeakPolarHBondContact OG-CB 3.46Å; S224-S226 PolarHBondContact OG-N 3.2Å
227	E	54	Low	66.9	Low	123 Å²	123	65.8 Å²	65.8	58%	0.575	35%	0.348	S	S	*	.			trans	-116.7	100.3	-179.9	-69.7	-176.9	-169.3	0	0	111.5	E229 S230	E227-E229 VanDerWaalsContact C-N 3.29Å; E227-E229 PolarHBondContact O-N 2.98Å; E227-S230 WeakPolarHBondContact CB-OG 3.46Å; E227-S230 PolarHBondContact O-N 2.89Å; E227-S230 PolarHBondContact O-OG 2.96Å
228	E	56.5	Low	68.2	Low	178 Å²	178	70.3 Å²	70.3	83%	0.832	37%	0.368	S	S	*	.	G	3₁₀ helix	trans	-58.7	-32.6	-177	-87.4	-173.7	152	0	0	114.3	S230	E228-S230 VanDerWaalsContact C-N 3.31Å
229	E	57	Low	69.3	Low	131 Å²	131	76 Å²	76	61%	0.612	39%	0.394	S	S	*	.	G	3₁₀ helix	trans	-76.1	-19.9	178.3	-70.3	-142.7	169.9	0	0	113.3	E227 K231 K247	E227-E229 VanDerWaalsContact C-N 3.29Å; E227-E229 PolarHBondContact O-N 2.98Å; E229-K231 VanDerWaalsContact C-N 3.34Å; E229-K247 IonicContact OE2-NZ 3.98Å; E229-K247 PolarHBondContact OE2-NZ 3.48Å
230	S	63.9	Low	70.6	Confident	19 Å²	19	77.7 Å²	77.7	13%	0.133	40%	0.402	C	S	.	.	G	3₁₀ helix	trans	-83.1	-9.7	-175.4	74.9	0	0	0	0	113.3	T219 E227 E228	T219-S230 WeakPolarHBondContact CB-O 3.32Å; T219-S230 VanDerWaalsContact CG2-O 3.22Å; T219-S230 WeakPolarHBondContact CG2-O 3.29Å; T219-S230 PolarHBondContact OG1-O 2.91Å; E227-S230 WeakPolarHBondContact CB-OG 3.46Å; E227-S230 PolarHBondContact O-N 2.89Å; E227-S230 PolarHBondContact O-OG 2.96Å; E228-S230 VanDerWaalsContact C-N 3.31Å
231	K	77.2	Confident	72.5	Confident	22 Å²	22	76.1 Å²	76.1	10%	0.096	39%	0.386	C	S	.	.	S	Bend	trans	-129.4	138.8	-170.3	-67.4	179	160.4	-165.7	0	112.3	H49 M223 S224 E229 K244	H49-K231 HydrophobicContact CB-CB 4.34Å; H49-K231 VanDerWaalsContact CD2-CD 3.47Å; H49-K231 WeakPolarHBondContact CD2-CD 3.4Å; H49-K231 PolarHBondContact CD2-NZ 3Å; H49-K231 PolarHBondContact NE2-NZ 2.85Å; M223-K231 PolarHBondContact O-NZ 3.34Å; M223-K231 VanDerWaalsContact O-NZ 3.07Å; M223-K231 HydrophobicContact SD-CG 4.16Å; S224-K231 WeakPolarHBondContact O-CD 3.21Å; S224-K231 WeakPolarHBondContact O-CE 3.36Å; S224-K231 PolarHBondContact O-NZ 3Å; S224-K231 VanDerWaalsContact O-NZ 3.13Å; E229-K231 VanDerWaalsContact C-N 3.34Å; K231-K244 WeakPolarHBondContact O-CD 3.48Å; K231-K244 WeakPolarHBondContact O-CE 3.25Å; K231-K244 PolarHBondContact O-NZ 3.16Å
232	I	87.1	Confident	74.4	Confident	4 Å²	4	77 Å²	77	2%	0.021	38%	0.381	C	S	.	.			trans	-87.8	115	169.5	-52.4	-171.2	0	0	0	108.2	H49 V50 L218 D236 V241 K244 L245 L317	H49-I232 WeakPolarHBondContact CA-O 3.32Å; H49-I232 VanDerWaalsContact CB-O 3.24Å; H49-I232 WeakPolarHBondContact CB-O 3.49Å; V50-I232 HydrophobicContact CB-CB 4.47Å; V50-I232 HydrophobicContact CG1-CB 3.83Å; V50-I232 HydrophobicContact CG1-CG2 3.68Å; V50-I232 WeakPolarHBondContact CG1-O 3.43Å; V50-I232 HydrophobicContact CG2-CB 3.82Å; V50-I232 PolarHBondContact N-O 3.33Å; L218-I232 HydrophobicContact CD2-CD1 3.59Å; L218-I232 HydrophobicContact CD2-CG1 4.42Å; I232-D236 WeakPolarHBondContact CA-OD2 3.44Å; I232-D236 HydrophobicContact CG2-CB 4.37Å; I232-V241 HydrophobicContact CD1-CG1 4.34Å; I232-V241 HydrophobicContact CG2-CB 4.45Å; I232-V241 HydrophobicContact CG2-CG2 3.71Å; I232-K244 HydrophobicContact CD1-CB 4.12Å; I232-K244 HydrophobicContact CG1-CB 3.82Å; I232-K244 HydrophobicContact CG1-CD 4.04Å; I232-L245 HydrophobicContact CD1-CD2 4.45Å; I232-L245 HydrophobicContact CD1-CG 3.85Å; I232-L317 HydrophobicContact CD1-CD2 4.27Å
233	D	91.2	Very high	76.4	Confident	24 Å²	24	73 Å²	73	13%	0.128	36%	0.363	C	S	.	.	B	Isolated β-bridge	trans	-73	150.6	176	-166.6	-89.8	0	0	0	110.2	K47 L235 D236	K47-D233 WeakPolarHBondContact CD-OD2 3.48Å; K47-D233 WeakPolarHBondContact CE-OD1 3.38Å; K47-D233 WeakPolarHBondContact CE-OD2 3.43Å; K47-D233 IonicContact NZ-OD1 2.8Å; K47-D233 PolarHBondContact NZ-OD1 2.86Å; K47-D233 IonicContact NZ-OD2 3.48Å; K47-D233 PolarHBondContact NZ-OD2 2.84Å; D233-L235 PolarHBondContact O-N 3.23Å; D233-L235 WeakPolarHBondContact OD1-CA 3.23Å; D233-L235 WeakPolarHBondContact OD1-CB 3.31Å; D233-L235 PolarHBondContact OD1-N 2.92Å; D233-D236 HydrophobicContact CB-CB 4.29Å; D233-D236 PolarHBondContact N-OD2 2.92Å; D233-D236 WeakPolarHBondContact O-CB 3.34Å; D233-D236 PolarHBondContact O-N 2.96Å
234	L	93.8	Very high	78.4	Confident	0 Å²	0	72.3 Å²	72.3	0%	0	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-20.8	177	-63.4	173.3	0	0	0	112.5	P48 V50 F53 V100 M104 L321	P48-L234 HydrophobicContact CB-CD1 3.86Å; V50-L234 HydrophobicContact CG1-CD2 4.31Å; F53-L234 HydrophobicContact CD2-CD2 4.07Å; F53-L234 HydrophobicContact CE2-CD2 3.58Å; F53-L234 HydrophobicContact CZ-CD2 4.33Å; V100-L234 HydrophobicContact CG2-CB 4.37Å; V100-L234 HydrophobicContact CG2-CD1 3.51Å; M104-L234 HydrophobicContact CE-CD1 4.3Å; M104-L234 HydrophobicContact CE-CD2 4.12Å; M104-L234 HydrophobicContact CG-CD1 4.31Å; M104-L234 HydrophobicContact SD-CD1 3.55Å; M104-L234 VanDerWaalsContact SD-CD1 3.55Å; M104-L234 HydrophobicContact SD-CD2 4.35Å; L234-L321 HydrophobicContact CD2-CD2 3.98Å
235	L	94.3	Very high	80.5	Confident	43 Å²	43	69.9 Å²	69.9	23%	0.225	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.8	6.5	179.4	-52.3	-178.3	0	0	0	113.3	Y96 D233 I324 F328 A337	Y96-L235 HydrophobicContact CE2-CD1 4.27Å; D233-L235 PolarHBondContact O-N 3.23Å; D233-L235 WeakPolarHBondContact OD1-CA 3.23Å; D233-L235 WeakPolarHBondContact OD1-CB 3.31Å; D233-L235 PolarHBondContact OD1-N 2.92Å; L235-I324 HydrophobicContact CD2-CG2 4.02Å; L235-F328 HydrophobicContact CD1-CB 4.18Å; L235-F328 HydrophobicContact CD1-CD1 3.79Å; L235-F328 HydrophobicContact CD1-CE1 4.46Å; L235-F328 HydrophobicContact CD1-CG 4.1Å; L235-F328 HydrophobicContact CD2-CB 3.61Å; L235-F328 HydrophobicContact CD2-CD1 4.2Å; L235-F328 HydrophobicContact CD2-CD2 4.05Å; L235-F328 HydrophobicContact CD2-CG 3.68Å; L235-A337 HydrophobicContact CD1-CB 4.41Å
236	D	93.3	Very high	82.3	Confident	25 Å²	25	71.9 Å²	71.9	13%	0.134	34%	0.339	C	S	.	.			trans	-57.4	145.6	173.7	-88.5	-16.9	0	0	0	110.3	I232 D233 D240 V241 K244 R325	I232-D236 WeakPolarHBondContact CA-OD2 3.44Å; I232-D236 HydrophobicContact CG2-CB 4.37Å; D233-D236 HydrophobicContact CB-CB 4.29Å; D233-D236 PolarHBondContact N-OD2 2.92Å; D233-D236 WeakPolarHBondContact O-CB 3.34Å; D233-D236 PolarHBondContact O-N 2.96Å; D236-D240 HydrophobicContact CB-CB 4.09Å; D236-V241 HydrophobicContact CB-CG2 4.03Å; D236-K244 IonicContact OD1-NZ 3.12Å; D236-K244 PolarHBondContact OD1-NZ 2.85Å; D236-K244 WeakPolarHBondContact OD2-CE 3.48Å; D236-K244 IonicContact OD2-NZ 2.73Å; D236-K244 PolarHBondContact OD2-NZ 3.16Å; D236-R325 PolarHBondContact O-NE 3.11Å; D236-R325 PolarHBondContact O-NH2 3.2Å
237	R	93.8	Very high	84.3	Confident	176 Å²	176	73.1 Å²	73.1	66%	0.664	33%	0.331	S	S	*	.			trans	-73.8	165.8	176.4	-57.2	180	178.9	174.3	1	111.2	E239 D240 V241	R237-E239 VanDerWaalsContact CB-OE2 3.22Å; R237-E239 WeakPolarHBondContact CB-OE2 3.06Å; R237-E239 PolarHBondContact O-N 2.97Å; R237-D240 PolarHBondContact N-OD2 3.32Å; R237-D240 PolarHBondContact O-N 3.02Å; R237-D240 VanDerWaalsContact O-N 3.1Å; R237-V241 WeakPolarHBondContact O-CG2 3.25Å; R237-V241 PolarHBondContact O-N 3.46Å
238	K	94.3	Very high	85.8	Confident	97 Å²	97	67.4 Å²	67.4	42%	0.422	31%	0.306	S	S	.	.	H	α-helix	trans	-55.9	-39.6	179.7	-67.4	-170.8	174.4	-172.4	0	111.6	V241 K242 D322	K238-V241 PolarHBondContact O-N 2.9Å; K238-K242 WeakPolarHBondContact O-CB 3.33Å; K238-K242 PolarHBondContact O-N 3.09Å; K238-D322 VanDerWaalsContact CE-CG 3.46Å; K238-D322 WeakPolarHBondContact CE-OD1 3.14Å; K238-D322 WeakPolarHBondContact CE-OD2 3.19Å; K238-D322 IonicContact NZ-OD1 3.87Å; K238-D322 PolarHBondContact NZ-OD1 3.2Å; K238-D322 IonicContact NZ-OD2 3.75Å; K238-D322 PolarHBondContact NZ-OD2 3.07Å
239	E	93.3	Very high	87.3	Confident	127 Å²	127	64 Å²	64	59%	0.593	29%	0.288	S	S	*	.	H	α-helix	trans	-66.4	-39.8	179.9	-55.8	72.8	-153.1	0	0	111.6	R237 K242 K243	R237-E239 VanDerWaalsContact CB-OE2 3.22Å; R237-E239 WeakPolarHBondContact CB-OE2 3.06Å; R237-E239 PolarHBondContact O-N 2.97Å; E239-K242 PolarHBondContact O-N 2.93Å; E239-K243 WeakPolarHBondContact O-CB 3.2Å; E239-K243 PolarHBondContact O-N 2.74Å
240	D	91.3	Very high	88.8	Confident	64 Å²	64	58.5 Å²	58.5	34%	0.342	26%	0.264	S	S	.	.	H	α-helix	trans	-70.4	-42.5	178.9	-62.1	-47.5	0	0	0	111.2	D236 R237 K242 K243 K244	D236-D240 HydrophobicContact CB-CB 4.09Å; R237-D240 PolarHBondContact N-OD2 3.32Å; R237-D240 PolarHBondContact O-N 3.02Å; R237-D240 VanDerWaalsContact O-N 3.1Å; D240-K242 VanDerWaalsContact C-N 3.34Å; D240-K242 PolarHBondContact O-N 3.44Å; D240-K243 PolarHBondContact O-N 3.47Å; D240-K244 WeakPolarHBondContact O-CB 2.91Å; D240-K244 VanDerWaalsContact O-CG 3.3Å; D240-K244 WeakPolarHBondContact O-CG 3.33Å; D240-K244 PolarHBondContact O-N 2.83Å
241	V	92.5	Very high	90.2	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-56.4	-49.7	172.8	173.4	0	0	0	0	110.3	I232 D236 R237 K238 K243 K244 L245 L317 L321	I232-V241 HydrophobicContact CD1-CG1 4.34Å; I232-V241 HydrophobicContact CG2-CB 4.45Å; I232-V241 HydrophobicContact CG2-CG2 3.71Å; D236-V241 HydrophobicContact CB-CG2 4.03Å; R237-V241 WeakPolarHBondContact O-CG2 3.25Å; R237-V241 PolarHBondContact O-N 3.46Å; K238-V241 PolarHBondContact O-N 2.9Å; V241-K243 PolarHBondContact O-N 2.7Å; V241-K244 PolarHBondContact O-N 2.82Å; V241-L245 HydrophobicContact CG1-CD1 3.94Å; V241-L245 WeakPolarHBondContact O-CB 3.29Å; V241-L245 PolarHBondContact O-N 3.43Å; V241-L317 HydrophobicContact CG1-CD2 3.93Å; V241-L321 HydrophobicContact CG2-CD1 3.9Å
242	K	91.9	Very high	91	Very high	89 Å²	89	64.3 Å²	64.3	39%	0.387	30%	0.295	S	S	.	.	H	α-helix	trans	-58.9	-47.4	177.9	-177.5	168.3	-157.9	159.9	0	112.2	K238 E239 D240 K246 E314	K238-K242 WeakPolarHBondContact O-CB 3.33Å; K238-K242 PolarHBondContact O-N 3.09Å; E239-K242 PolarHBondContact O-N 2.93Å; D240-K242 VanDerWaalsContact C-N 3.34Å; D240-K242 PolarHBondContact O-N 3.44Å; K242-K246 WeakPolarHBondContact O-CB 3.49Å; K242-K246 WeakPolarHBondContact O-CG 3.46Å; K242-K246 PolarHBondContact O-N 3.48Å; K242-E314 WeakPolarHBondContact CB-OE1 3.49Å; K242-E314 WeakPolarHBondContact CD-OE1 3.28Å; K242-E314 WeakPolarHBondContact CG-OE1 3.19Å; K242-E314 WeakPolarHBondContact CG-OE2 3.39Å; K242-E314 IonicContact NZ-OE1 3.66Å
243	K	90.9	Very high	91.2	Very high	114 Å²	114	65 Å²	65	50%	0.496	30%	0.304	S	S	.	.	H	α-helix	trans	-60.5	-46.7	179.1	-179.2	-176.1	172.3	-170.6	0	111.3	E239 D240 V241 K246 K247	E239-K243 WeakPolarHBondContact O-CB 3.2Å; E239-K243 PolarHBondContact O-N 2.74Å; D240-K243 PolarHBondContact O-N 3.47Å; V241-K243 PolarHBondContact O-N 2.7Å; K243-K246 PolarHBondContact O-N 3.43Å; K243-K247 PolarHBondContact O-N 2.86Å
244	K	89.4	Confident	91.3	Very high	36 Å²	36	65.9 Å²	65.9	16%	0.157	31%	0.308	C	S	.	.	H	α-helix	trans	-68.9	-42.9	-179	-70.4	176.3	179.1	-177.8	0	111.8	K231 I232 D236 D240 V241 K246 K247 A248	K231-K244 WeakPolarHBondContact O-CD 3.48Å; K231-K244 WeakPolarHBondContact O-CE 3.25Å; K231-K244 PolarHBondContact O-NZ 3.16Å; I232-K244 HydrophobicContact CD1-CB 4.12Å; I232-K244 HydrophobicContact CG1-CB 3.82Å; I232-K244 HydrophobicContact CG1-CD 4.04Å; D236-K244 IonicContact OD1-NZ 3.12Å; D236-K244 PolarHBondContact OD1-NZ 2.85Å; D236-K244 WeakPolarHBondContact OD2-CE 3.48Å; D236-K244 IonicContact OD2-NZ 2.73Å; D236-K244 PolarHBondContact OD2-NZ 3.16Å; D240-K244 WeakPolarHBondContact O-CB 2.91Å; D240-K244 VanDerWaalsContact O-CG 3.3Å; D240-K244 WeakPolarHBondContact O-CG 3.33Å; D240-K244 PolarHBondContact O-N 2.83Å; V241-K244 PolarHBondContact O-N 2.82Å; K244-K246 PolarHBondContact O-N 2.91Å; K244-K247 PolarHBondContact O-N 2.85Å; K244-A248 PolarHBondContact O-N 2.89Å
245	L	89.6	Confident	91.1	Very high	2 Å²	2	67.7 Å²	67.7	1%	0.01	32%	0.319	C	S	.	.	H	α-helix	trans	-61.7	-42.1	174.3	-90.7	172.1	0	0	0	112.2	L218 I232 V241 K247 A248 K310 V313 E314 L317	L218-L245 HydrophobicContact CD1-CD2 3.92Å; L218-L245 HydrophobicContact CD2-CD2 3.73Å; L218-L245 HydrophobicContact CD2-CG 4.39Å; L218-L245 HydrophobicContact CG-CD2 3.78Å; I232-L245 HydrophobicContact CD1-CD2 4.45Å; I232-L245 HydrophobicContact CD1-CG 3.85Å; V241-L245 HydrophobicContact CG1-CD1 3.94Å; V241-L245 WeakPolarHBondContact O-CB 3.29Å; V241-L245 PolarHBondContact O-N 3.43Å; L245-K247 PolarHBondContact O-N 2.93Å; L245-A248 WeakPolarHBondContact O-CB 3.43Å; L245-A248 PolarHBondContact O-N 3.4Å; L245-K310 WeakPolarHBondContact O-CD 3.37Å; L245-V313 HydrophobicContact CD1-CG1 4.32Å; L245-V313 HydrophobicContact CD2-CG1 4.18Å; L245-E314 VanDerWaalsContact CD1-CA 3.5Å; L245-E314 HydrophobicContact CD1-CB 3.66Å; L245-E314 HydrophobicContact CD1-CG 4.26Å; L245-L317 HydrophobicContact CD1-CD2 4.44Å
246	K	88.7	Confident	90.7	Very high	134 Å²	134	72 Å²	72	58%	0.583	34%	0.338	S	S	*	.	H	α-helix	trans	-56.2	-39.6	177.1	-82.1	-175.7	175.1	-168	0	112.6	K242 K243 K244 A248 K310	K242-K246 WeakPolarHBondContact O-CB 3.49Å; K242-K246 WeakPolarHBondContact O-CG 3.46Å; K242-K246 PolarHBondContact O-N 3.48Å; K243-K246 PolarHBondContact O-N 3.43Å; K244-K246 PolarHBondContact O-N 2.91Å; K246-A248 VanDerWaalsContact C-N 3.3Å; K246-K310 PolarHBondContact O-NZ 3.05Å
247	K	86.8	Confident	90.2	Very high	127 Å²	127	76.9 Å²	76.9	55%	0.552	36%	0.364	S	S	*	.	H	α-helix	trans	-74.5	-13.8	176.7	-68.1	-175.4	177.9	-170.1	0	114	E229 K243 K244 L245 F249	E229-K247 IonicContact OE2-NZ 3.98Å; E229-K247 PolarHBondContact OE2-NZ 3.48Å; K243-K247 PolarHBondContact O-N 2.86Å; K244-K247 PolarHBondContact O-N 2.85Å; L245-K247 PolarHBondContact O-N 2.93Å; K247-F249 PolarHBondContact O-N 3.26Å
248	A	86	Confident	89.8	Confident	4 Å²	4	68.6 Å²	68.6	3%	0.033	33%	0.333	C	S	.	.	S	Bend	trans	-61.9	134.2	-179.8	0	0	0	0	0	111.5	L218 K244 L245 K246 C250 V260 K310	L218-A248 WeakPolarHBondContact O-CB 3.27Å; K244-A248 PolarHBondContact O-N 2.89Å; L245-A248 WeakPolarHBondContact O-CB 3.43Å; L245-A248 PolarHBondContact O-N 3.4Å; K246-A248 VanDerWaalsContact C-N 3.3Å; A248-C250 PolarHBondContact O-N 2.95Å; A248-V260 HydrophobicContact CB-CG2 4.39Å; A248-K310 HydrophobicContact CB-CD 4.47Å; A248-K310 PolarHBondContact O-NZ 3.29Å
249	F	86.1	Confident	89.5	Confident	107 Å²	107	64 Å²	64	47%	0.469	31%	0.314	S	S	.	.			trans	-62.6	123.5	171.5	-175.5	-96.3	0	0	0	109.8	T219 K247 E251	T219-F249 PolarHBondContact O-N 3.11Å; K247-F249 PolarHBondContact O-N 3.26Å; F249-E251 HydrophobicContact CE1-CB 4.1Å; F249-E251 HydrophobicContact CE2-CB 4.48Å; F249-E251 HydrophobicContact CZ-CB 3.79Å
250	C	89.9	Confident	89.4	Confident	14 Å²	14	58 Å²	58	10%	0.095	29%	0.285	C	S	.	.			trans	-158.7	87.3	179.5	-166.3	0	0	0	0	106.9	A248 V260 P306 K310	A248-C250 PolarHBondContact O-N 2.95Å; C250-V260 HydrophobicContact CB-CG2 4.11Å; C250-P306 HydrophobicContact CB-CB 4.12Å; C250-P306 VanDerWaalsContact O-CB 3.25Å; C250-P306 WeakPolarHBondContact O-CB 3.36Å; C250-P306 WeakPolarHBondContact O-CG 2.9Å; C250-K310 HydrophobicContact CB-CD 4.34Å
251	E	91.9	Very high	89.4	Confident	95 Å²	95	55 Å²	55	44%	0.444	27%	0.269	S	S	.	.			trans	-77.9	136.7	-179	178.7	177.5	-148	0	0	110.2	F249 N254 F299	F249-E251 HydrophobicContact CE1-CB 4.1Å; F249-E251 HydrophobicContact CE2-CB 4.48Å; F249-E251 HydrophobicContact CZ-CB 3.79Å; E251-N254 HydrophobicContact CB-CB 3.79Å; E251-N254 HydrophobicContact CG-CB 4.04Å; E251-N254 PolarHBondContact O-N 3.35Å; E251-N254 PolarHBondContact OE2-ND2 3.33Å; E251-F299 WeakPolarHBondContact O-CE1 3.41Å; E251-F299 VanDerWaalsContact O-CZ 3.3Å; E251-F299 WeakPolarHBondContact O-CZ 3.49Å
252	P	94.3	Very high	89.3	Confident	68 Å²	68	56 Å²	56	44%	0.442	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	138.5	175.3	-20.6	30	0	0	0	111.7	N254 E302 P306	P252-N254 PolarHBondContact O-N 3.04Å; P252-E302 HydrophobicContact CB-CG 4.43Å; P252-P306 HydrophobicContact CB-CG 4.16Å; P252-P306 HydrophobicContact CG-CG 3.82Å
253	G	92.5	Very high	89.3	Confident	20 Å²	20	52 Å²	52	21%	0.206	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	74	-18.4	178.9	0	0	0	0	0	115.1	V255 F299	G253-V255 PolarHBondContact O-N 3.34Å; G253-V255 VanDerWaalsContact O-N 3.14Å; G253-F299 WeakPolarHBondContact CA-O 3.44Å
254	N	92.2	Very high	89.4	Confident	42 Å²	42	46.6 Å²	46.6	23%	0.225	24%	0.235	C	C	.	.			trans	-81.1	99.5	-175.1	-168.7	0.5	0	0	0	112.3	E251 P252 E256 N258 F299	E251-N254 HydrophobicContact CB-CB 3.79Å; E251-N254 HydrophobicContact CG-CB 4.04Å; E251-N254 PolarHBondContact O-N 3.35Å; E251-N254 PolarHBondContact OE2-ND2 3.33Å; P252-N254 PolarHBondContact O-N 3.04Å; N254-E256 PolarHBondContact OD1-N 2.98Å; N254-E256 VanDerWaalsContact OD1-N 3.11Å; N254-E256 PolarHBondContact OD1-O 3.11Å; N254-N258 WeakPolarHBondContact O-CB 3.25Å; N254-N258 PolarHBondContact O-ND2 3.45Å; N254-F299 VanDerWaalsContact O-CE1 3.31Å; N254-F299 WeakPolarHBondContact O-CE1 3.27Å
255	V	91.2	Very high	89.5	Confident	37 Å²	37	48.4 Å²	48.4	22%	0.224	24%	0.244	C	C	.	.			trans	-86.7	-19.6	174.8	-63.2	0	0	0	0	113	G253 L261 E296 F299 A300	G253-V255 PolarHBondContact O-N 3.34Å; G253-V255 VanDerWaalsContact O-N 3.14Å; V255-L261 HydrophobicContact CB-CD1 4.26Å; V255-L261 HydrophobicContact CG1-CD1 4.05Å; V255-E296 HydrophobicContact CB-CG 3.96Å; V255-E296 HydrophobicContact CG1-CG 3.71Å; V255-F299 HydrophobicContact CG1-CD1 4.04Å; V255-A300 HydrophobicContact CG1-CB 3.83Å
256	E	85.3	Confident	89.5	Confident	134 Å²	134	49.5 Å²	49.5	63%	0.626	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.4	135.6	179.4	-66.4	-62.6	154.5	0	0	110.5	N254 N258	N254-E256 PolarHBondContact OD1-N 2.98Å; N254-E256 VanDerWaalsContact OD1-N 3.11Å; N254-E256 PolarHBondContact OD1-O 3.11Å; E256-N258 PolarHBondContact O-N 3.12Å; E256-N258 VanDerWaalsContact O-N 3.13Å
257	N	81.6	Confident	89.5	Confident	127 Å²	127	43.1 Å²	43.1	68%	0.679	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	57	26	-179.1	-56.7	-62	0	0	0	115.3
258	N	87.1	Confident	89.7	Confident	2 Å²	2	37.6 Å²	37.6	1%	0.011	20%	0.197	C	C	.	.			trans	-91.4	106.5	179.2	-171.9	-38.2	0	0	0	111.4	N254 E256 V260 L261 S262 F299	N254-N258 WeakPolarHBondContact O-CB 3.25Å; N254-N258 PolarHBondContact O-ND2 3.45Å; E256-N258 PolarHBondContact O-N 3.12Å; E256-N258 VanDerWaalsContact O-N 3.13Å; N258-V260 VanDerWaalsContact C-N 3.26Å; N258-V260 PolarHBondContact O-N 3.21Å; N258-V260 WeakPolarHBondContact OD1-CB 3.44Å; N258-V260 PolarHBondContact OD1-N 3.31Å; N258-L261 HydrophobicContact CB-CB 4.08Å; N258-L261 HydrophobicContact CB-CD1 3.99Å; N258-L261 HydrophobicContact CB-CG 4.23Å; N258-L261 PolarHBondContact O-N 3.42Å; N258-L261 PolarHBondContact OD1-N 2.89Å; N258-L261 VanDerWaalsContact OD1-N 3.08Å; N258-S262 WeakPolarHBondContact O-CB 3.42Å; N258-S262 PolarHBondContact O-N 3.21Å; N258-S262 PolarHBondContact O-OG 3Å; N258-F299 WeakPolarHBondContact ND2-CE1 3.07Å
259	G	86.4	Confident	90	Very high	1 Å²	1	38.7 Å²	38.7	1%	0.01	20%	0.201	C	C	.	.	H	α-helix	trans	-64.3	-27.7	-178	0	0	0	0	0	114.1	G217 F263	G217-G259 WeakPolarHBondContact O-CA 3.37Å; G259-F263 WeakPolarHBondContact O-CB 3.33Å; G259-F263 PolarHBondContact O-N 3.34Å
260	V	91.1	Very high	90.1	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-73	-49.7	177.9	-175.4	0	0	0	0	110.4	L218 A248 C250 N258 S262 F263 I264 L309 K310 V313	L218-V260 HydrophobicContact CD1-CB 4.45Å; L218-V260 HydrophobicContact CD1-CG2 4.15Å; A248-V260 HydrophobicContact CB-CG2 4.39Å; C250-V260 HydrophobicContact CB-CG2 4.11Å; N258-V260 VanDerWaalsContact C-N 3.26Å; N258-V260 PolarHBondContact O-N 3.21Å; N258-V260 WeakPolarHBondContact OD1-CB 3.44Å; N258-V260 PolarHBondContact OD1-N 3.31Å; V260-S262 VanDerWaalsContact C-N 3.33Å; V260-S262 PolarHBondContact O-N 3.22Å; V260-F263 PolarHBondContact O-N 3.45Å; V260-I264 HydrophobicContact CG1-CD1 4.49Å; V260-I264 WeakPolarHBondContact O-CG1 3.31Å; V260-I264 PolarHBondContact O-N 3.13Å; V260-I264 VanDerWaalsContact O-N 3.07Å; V260-L309 HydrophobicContact CB-CD2 4.26Å; V260-L309 HydrophobicContact CG1-CD2 3.82Å; V260-L309 HydrophobicContact CG1-CG 3.83Å; V260-K310 HydrophobicContact CG1-CG 4.44Å; V260-K310 HydrophobicContact CG2-CG 4.2Å; V260-V313 HydrophobicContact CG1-CB 4.34Å; V260-V313 HydrophobicContact CG1-CG2 3.71Å
261	L	92.5	Very high	89.9	Confident	1 Å²	1	35 Å²	35	1%	0.005	19%	0.186	C	C	.	.	H	α-helix	trans	-61.4	-42.3	174.1	-72.8	176.4	0	0	0	111.8	V255 N258 F263 I264 K265 L295 F299 L309	V255-L261 HydrophobicContact CB-CD1 4.26Å; V255-L261 HydrophobicContact CG1-CD1 4.05Å; N258-L261 HydrophobicContact CB-CB 4.08Å; N258-L261 HydrophobicContact CB-CD1 3.99Å; N258-L261 HydrophobicContact CB-CG 4.23Å; N258-L261 PolarHBondContact O-N 3.42Å; N258-L261 PolarHBondContact OD1-N 2.89Å; N258-L261 VanDerWaalsContact OD1-N 3.08Å; L261-F263 VanDerWaalsContact C-N 3.3Å; L261-F263 PolarHBondContact O-N 3.35Å; L261-I264 HydrophobicContact CD2-CD1 4.46Å; L261-I264 WeakPolarHBondContact O-CB 3.49Å; L261-I264 PolarHBondContact O-N 2.99Å; L261-I264 VanDerWaalsContact O-N 3.09Å; L261-K265 PolarHBondContact O-N 3.04Å; L261-L295 HydrophobicContact CD2-CD2 4.43Å; L261-L295 HydrophobicContact CD2-CG 4.45Å; L261-F299 HydrophobicContact CD1-CB 4.5Å; L261-F299 HydrophobicContact CD1-CD1 3.64Å; L261-F299 HydrophobicContact CD1-CE1 4.05Å; L261-F299 HydrophobicContact CD1-CG 4.08Å; L261-F299 HydrophobicContact CD2-CB 4.49Å; L261-F299 HydrophobicContact CD2-CG 4.37Å; L261-L309 HydrophobicContact CD2-CD1 4.18Å; L261-L309 HydrophobicContact CD2-CD2 3.71Å; L261-L309 HydrophobicContact CG-CD2 3.95Å
262	S	90.4	Very high	89.4	Confident	21 Å²	21	38.1 Å²	38.1	15%	0.147	20%	0.198	C	C	.	.	H	α-helix	trans	-59.8	-41.8	177.1	-55	0	0	0	0	111.7	N258 V260 I264 K265 H266	N258-S262 WeakPolarHBondContact O-CB 3.42Å; N258-S262 PolarHBondContact O-N 3.21Å; N258-S262 PolarHBondContact O-OG 3Å; V260-S262 VanDerWaalsContact C-N 3.33Å; V260-S262 PolarHBondContact O-N 3.22Å; S262-I264 VanDerWaalsContact C-N 3.34Å; S262-I264 PolarHBondContact O-N 2.85Å; S262-K265 PolarHBondContact O-N 3.06Å; S262-H266 WeakPolarHBondContact O-CB 3.12Å; S262-H266 PolarHBondContact O-CD2 3.5Å; S262-H266 VanDerWaalsContact O-CD2 3.25Å; S262-H266 PolarHBondContact O-N 2.95Å
263	F	90.4	Very high	89.1	Confident	6 Å²	6	38.2 Å²	38.2	3%	0.026	20%	0.2	C	C	.	.	H	α-helix	trans	-64.9	-37.8	175.5	-168.8	-100.2	0	0	0	112	V50 F53 L218 G259 V260 L261 V267 L268 V313 L317	V50-F263 HydrophobicContact CB-CE2 4.29Å; V50-F263 HydrophobicContact CB-CZ 4.49Å; F53-F263 HydrophobicContact CB-CE2 4.41Å; F53-F263 HydrophobicContact CD2-CZ 4.47Å; L218-F263 HydrophobicContact CD1-CB 3.91Å; L218-F263 HydrophobicContact CD1-CG 4.22Å; G259-F263 WeakPolarHBondContact O-CB 3.33Å; G259-F263 PolarHBondContact O-N 3.34Å; V260-F263 PolarHBondContact O-N 3.45Å; L261-F263 VanDerWaalsContact C-N 3.3Å; L261-F263 PolarHBondContact O-N 3.35Å; F263-V267 HydrophobicContact CD1-CB 4.5Å; F263-V267 HydrophobicContact CD2-CB 4.25Å; F263-V267 HydrophobicContact CD2-CG2 3.87Å; F263-V267 HydrophobicContact CE1-CB 4.28Å; F263-V267 HydrophobicContact CE1-CG1 4.21Å; F263-V267 HydrophobicContact CE2-CB 4.02Å; F263-V267 HydrophobicContact CE2-CG1 4.16Å; F263-V267 HydrophobicContact CE2-CG2 3.7Å; F263-V267 HydrophobicContact CG-CB 4.48Å; F263-V267 HydrophobicContact CG-CG2 4.5Å; F263-V267 HydrophobicContact CZ-CB 4.03Å; F263-V267 HydrophobicContact CZ-CG1 3.8Å; F263-V267 HydrophobicContact CZ-CG2 4.21Å; F263-V267 WeakPolarHBondContact O-CA 3.34Å; F263-V267 VanDerWaalsContact O-CB 3.23Å; F263-V267 WeakPolarHBondContact O-CB 3.41Å; F263-V267 PolarHBondContact O-N 3.48Å; F263-L268 HydrophobicContact CD1-CD1 3.95Å; F263-L268 HydrophobicContact CD1-CG 3.95Å; F263-L268 HydrophobicContact CE1-CD1 4.06Å; F263-L268 HydrophobicContact CE1-CD2 3.92Å; F263-L268 HydrophobicContact CE1-CG 3.84Å; F263-L268 PolarHBondContact O-N 3.43Å; F263-V313 HydrophobicContact CD1-CG1 4.13Å; F263-L317 HydrophobicContact CE1-CD1 4.03Å; F263-L317 HydrophobicContact CZ-CD1 3.82Å
264	I	93	Very high	89.1	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.209	C	C	.	.	I	π-helix	trans	-62.4	-52.2	173.6	-64.1	160.9	0	0	0	110.2	V260 L261 S262 H266 L268 F269 F275 L295 L309 V313	V260-I264 HydrophobicContact CG1-CD1 4.49Å; V260-I264 WeakPolarHBondContact O-CG1 3.31Å; V260-I264 PolarHBondContact O-N 3.13Å; V260-I264 VanDerWaalsContact O-N 3.07Å; L261-I264 HydrophobicContact CD2-CD1 4.46Å; L261-I264 WeakPolarHBondContact O-CB 3.49Å; L261-I264 PolarHBondContact O-N 2.99Å; L261-I264 VanDerWaalsContact O-N 3.09Å; S262-I264 VanDerWaalsContact C-N 3.34Å; S262-I264 PolarHBondContact O-N 2.85Å; I264-H266 PolarHBondContact O-N 3.23Å; I264-L268 HydrophobicContact CG1-CD1 4.13Å; I264-L268 PolarHBondContact O-N 3.17Å; I264-L268 VanDerWaalsContact O-N 3.14Å; I264-F269 HydrophobicContact CG2-CB 4.39Å; I264-F269 WeakPolarHBondContact O-CB 3.2Å; I264-F269 PolarHBondContact O-N 3.09Å; I264-F275 HydrophobicContact CD1-CD1 4.28Å; I264-F275 HydrophobicContact CD1-CE1 3.59Å; I264-F275 HydrophobicContact CD1-CZ 3.83Å; I264-F275 HydrophobicContact CG1-CE1 4.01Å; I264-F275 HydrophobicContact CG1-CE2 4.27Å; I264-F275 HydrophobicContact CG1-CZ 3.88Å; I264-F275 HydrophobicContact CG2-CB 4.25Å; I264-F275 HydrophobicContact CG2-CD1 3.87Å; I264-F275 HydrophobicContact CG2-CD2 4.13Å; I264-F275 HydrophobicContact CG2-CE1 4.2Å; I264-F275 HydrophobicContact CG2-CE2 4.49Å; I264-F275 HydrophobicContact CG2-CG 3.81Å; I264-L295 HydrophobicContact CD1-CD2 4.16Å; I264-L295 HydrophobicContact CG2-CD2 3.83Å; I264-L309 HydrophobicContact CD1-CD1 3.39Å; I264-L309 HydrophobicContact CD1-CG 4.03Å; I264-V313 HydrophobicContact CD1-CG2 3.57Å; I264-V313 HydrophobicContact CG1-CG2 3.52Å
265	K	92.4	Very high	89.4	Confident	75 Å²	75	39.8 Å²	39.8	33%	0.326	20%	0.2	S	C	.	.	I	π-helix	trans	-56.7	-47.8	-177.6	-170.2	178.6	-174.6	170.8	0	113.3	L261 S262 P270 Y292	L261-K265 PolarHBondContact O-N 3.04Å; S262-K265 PolarHBondContact O-N 3.06Å; K265-P270 VanDerWaalsContact O-CD 3.27Å; K265-P270 WeakPolarHBondContact O-CD 3.16Å; K265-P270 WeakPolarHBondContact O-CG 3.45Å; K265-Y292 HydrophobicContact CB-CD2 3.78Å; K265-Y292 HydrophobicContact CB-CE1 4.3Å; K265-Y292 HydrophobicContact CB-CE2 3.51Å; K265-Y292 HydrophobicContact CB-CG 4.29Å; K265-Y292 HydrophobicContact CD-CD1 4.02Å; K265-Y292 HydrophobicContact CD-CE1 3.61Å; K265-Y292 HydrophobicContact CD-CE2 4.34Å; K265-Y292 HydrophobicContact CG-CD1 3.95Å; K265-Y292 HydrophobicContact CG-CD2 4.04Å; K265-Y292 HydrophobicContact CG-CE1 3.94Å; K265-Y292 HydrophobicContact CG-CE2 4.01Å; K265-Y292 HydrophobicContact CG-CG 4.02Å
266	H	89.3	Confident	89.6	Confident	24 Å²	24	40.7 Å²	40.7	11%	0.111	21%	0.206	C	C	.	.	I	π-helix	trans	-94.1	-19.4	-170.3	-68.7	-75.3	0	0	0	113.9	V54 S57 P213 V215 S262 I264	V54-H266 HydrophobicContact CG1-CB 4.42Å; V54-H266 HydrophobicContact CG2-CB 4.32Å; S57-H266 WeakPolarHBondContact CB-O 3.22Å; P213-H266 VanDerWaalsContact CG-CE1 3.45Å; P213-H266 WeakPolarHBondContact CG-CE1 3.45Å; V215-H266 HydrophobicContact CG2-CB 4.25Å; S262-H266 WeakPolarHBondContact O-CB 3.12Å; S262-H266 PolarHBondContact O-CD2 3.5Å; S262-H266 VanDerWaalsContact O-CD2 3.25Å; S262-H266 PolarHBondContact O-N 2.95Å; I264-H266 PolarHBondContact O-N 3.23Å
267	V	89.1	Confident	90.2	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.176	C	C	.	.	I	π-helix	trans	-120.6	-63.3	-177.4	-179.3	0	0	0	0	112	F53 V54 F263 P270 L271 L320	F53-V267 HydrophobicContact CB-CB 4.26Å; F53-V267 HydrophobicContact CB-CG1 3.48Å; F53-V267 VanDerWaalsContact CB-CG1 3.48Å; F53-V267 HydrophobicContact CB-CG2 3.74Å; F53-V267 HydrophobicContact CG-CG1 4.1Å; V54-V267 HydrophobicContact CG2-CG2 3.77Å; F263-V267 HydrophobicContact CD1-CB 4.5Å; F263-V267 HydrophobicContact CD2-CB 4.25Å; F263-V267 HydrophobicContact CD2-CG2 3.87Å; F263-V267 HydrophobicContact CE1-CB 4.28Å; F263-V267 HydrophobicContact CE1-CG1 4.21Å; F263-V267 HydrophobicContact CE2-CB 4.02Å; F263-V267 HydrophobicContact CE2-CG1 4.16Å; F263-V267 HydrophobicContact CE2-CG2 3.7Å; F263-V267 HydrophobicContact CG-CB 4.48Å; F263-V267 HydrophobicContact CG-CG2 4.5Å; F263-V267 HydrophobicContact CZ-CB 4.03Å; F263-V267 HydrophobicContact CZ-CG1 3.8Å; F263-V267 HydrophobicContact CZ-CG2 4.21Å; F263-V267 WeakPolarHBondContact O-CA 3.34Å; F263-V267 VanDerWaalsContact O-CB 3.23Å; F263-V267 WeakPolarHBondContact O-CB 3.41Å; F263-V267 PolarHBondContact O-N 3.48Å; V267-P270 WeakPolarHBondContact O-CD 3.47Å; V267-L271 HydrophobicContact CG1-CD1 4.45Å; V267-L271 WeakPolarHBondContact O-CD1 3.22Å; V267-L271 WeakPolarHBondContact O-CG 3.36Å; V267-L320 HydrophobicContact CG1-CD1 4.37Å
268	L	91.6	Very high	90.8	Very high	11 Å²	11	31.1 Å²	31.1	6%	0.058	16%	0.159	C	C	.	.	I	π-helix	trans	-73.6	-40.8	-167	-59.6	177.1	0	0	0	112.8	F263 I264 L271 F275 V313 A316 L320	F263-L268 HydrophobicContact CD1-CD1 3.95Å; F263-L268 HydrophobicContact CD1-CG 3.95Å; F263-L268 HydrophobicContact CE1-CD1 4.06Å; F263-L268 HydrophobicContact CE1-CD2 3.92Å; F263-L268 HydrophobicContact CE1-CG 3.84Å; F263-L268 PolarHBondContact O-N 3.43Å; I264-L268 HydrophobicContact CG1-CD1 4.13Å; I264-L268 PolarHBondContact O-N 3.17Å; I264-L268 VanDerWaalsContact O-N 3.14Å; L268-L271 PolarHBondContact O-N 3.24Å; L268-F275 HydrophobicContact CB-CD2 4.15Å; L268-F275 HydrophobicContact CB-CE2 4.24Å; L268-F275 HydrophobicContact CD1-CD2 4.46Å; L268-F275 HydrophobicContact CD1-CE2 3.73Å; L268-F275 HydrophobicContact CD1-CZ 4.38Å; L268-V313 HydrophobicContact CD1-CB 4.4Å; L268-V313 HydrophobicContact CD1-CG1 4.2Å; L268-V313 HydrophobicContact CD1-CG2 4.04Å; L268-A316 HydrophobicContact CD1-CB 3.86Å; L268-A316 HydrophobicContact CD2-CB 4Å; L268-A316 HydrophobicContact CG-CB 4.49Å; L268-L320 HydrophobicContact CD2-CD1 3.65Å
269	F	92.1	Very high	91.1	Very high	28 Å²	28	32.3 Å²	32.3	12%	0.123	16%	0.163	C	C	.	.	H	α-helix	trans	-66.6	-47.4	-177.4	-161.7	-80.7	0	0	0	112.2	I264 L271 K272 S273 F275 T290 Y292	I264-F269 HydrophobicContact CG2-CB 4.39Å; I264-F269 WeakPolarHBondContact O-CB 3.2Å; I264-F269 PolarHBondContact O-N 3.09Å; F269-L271 PolarHBondContact O-N 3.26Å; F269-L271 VanDerWaalsContact O-N 3.12Å; F269-K272 PolarHBondContact O-N 2.95Å; F269-S273 VanDerWaalsContact O-CA 3.22Å; F269-S273 WeakPolarHBondContact O-CA 3.39Å; F269-S273 PolarHBondContact O-N 2.65Å; F269-F275 HydrophobicContact CD2-CB 3.94Å; F269-F275 HydrophobicContact CE2-CB 4.47Å; F269-T290 WeakPolarHBondContact CZ-O 3.47Å; F269-Y292 VanDerWaalsContact CZ-N 3.29Å
270	P	88.4	Confident	91.3	Very high	7 Å²	7	36.6 Å²	36.6	5%	0.045	19%	0.186	C	C	.	.	H	α-helix	trans	-64.1	-18	-179.9	-25.1	37.3	0	0	0	115.4	R16 K265 V267	R16-P270 PolarHBondContact NH2-O 3.48Å; K265-P270 VanDerWaalsContact O-CD 3.27Å; K265-P270 WeakPolarHBondContact O-CD 3.16Å; K265-P270 WeakPolarHBondContact O-CG 3.45Å; V267-P270 WeakPolarHBondContact O-CD 3.47Å
271	L	85.3	Confident	91.4	Very high	37 Å²	37	44.3 Å²	44.3	19%	0.194	22%	0.222	C	C	.	.	H	α-helix	trans	-71	-38.7	-179.3	-66.3	168.8	0	0	0	112.5	I108 V267 L268 F269 L320	I108-L271 HydrophobicContact CB-CD2 3.96Å; I108-L271 HydrophobicContact CD1-CD2 4.28Å; I108-L271 HydrophobicContact CG1-CD2 3.67Å; I108-L271 HydrophobicContact CG2-CD2 3.4Å; V267-L271 HydrophobicContact CG1-CD1 4.45Å; V267-L271 WeakPolarHBondContact O-CD1 3.22Å; V267-L271 WeakPolarHBondContact O-CG 3.36Å; L268-L271 PolarHBondContact O-N 3.24Å; F269-L271 PolarHBondContact O-N 3.26Å; F269-L271 VanDerWaalsContact O-N 3.12Å; L271-L320 HydrophobicContact CD1-CD1 3.71Å; L271-L320 HydrophobicContact CD1-CD2 3.84Å; L271-L320 HydrophobicContact CD1-CG 4.37Å
272	K	81.8	Confident	91.3	Very high	159 Å²	159	51.5 Å²	51.5	69%	0.691	25%	0.253	S	S	*	.	H	α-helix	trans	-124.4	-5.1	-176.8	-63.1	-164.9	174.4	-163.1	0	114.3	F269 E274	F269-K272 PolarHBondContact O-N 2.95Å; K272-E274 HydrophobicContact CB-CG 3.96Å; K272-E274 PolarHBondContact O-N 3.07Å
273	S	87.9	Confident	91.2	Very high	70 Å²	70	58.4 Å²	58.4	49%	0.49	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.3	20.1	-170.7	-48.5	0	0	0	0	113.5	F269	F269-S273 VanDerWaalsContact O-CA 3.22Å; F269-S273 WeakPolarHBondContact O-CA 3.39Å; F269-S273 PolarHBondContact O-N 2.65Å
274	E	93.1	Very high	91.1	Very high	85 Å²	85	60.7 Å²	60.7	40%	0.397	30%	0.301	S	S	.	.			trans	-150.6	158.5	175.1	63.4	174.8	-157.8	0	0	110.2	K272 T288 Y289	K272-E274 HydrophobicContact CB-CG 3.96Å; K272-E274 PolarHBondContact O-N 3.07Å; E274-T288 HydrophobicContact CB-CG2 4.14Å; E274-Y289 CarbonylContact C-O 3.48Å; E274-Y289 WeakPolarHBondContact CA-O 3.42Å; E274-Y289 WeakPolarHBondContact CB-O 3.43Å
275	F	96.6	Very high	91.1	Very high	10 Å²	10	60.9 Å²	60.9	4%	0.044	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	135.6	172.4	-174.5	-110.7	0	0	0	111.3	I264 L268 F269 I277 Y289 L295 L309 V313 A316	I264-F275 HydrophobicContact CD1-CD1 4.28Å; I264-F275 HydrophobicContact CD1-CE1 3.59Å; I264-F275 HydrophobicContact CD1-CZ 3.83Å; I264-F275 HydrophobicContact CG1-CE1 4.01Å; I264-F275 HydrophobicContact CG1-CE2 4.27Å; I264-F275 HydrophobicContact CG1-CZ 3.88Å; I264-F275 HydrophobicContact CG2-CB 4.25Å; I264-F275 HydrophobicContact CG2-CD1 3.87Å; I264-F275 HydrophobicContact CG2-CD2 4.13Å; I264-F275 HydrophobicContact CG2-CE1 4.2Å; I264-F275 HydrophobicContact CG2-CE2 4.49Å; I264-F275 HydrophobicContact CG2-CG 3.81Å; L268-F275 HydrophobicContact CB-CD2 4.15Å; L268-F275 HydrophobicContact CB-CE2 4.24Å; L268-F275 HydrophobicContact CD1-CD2 4.46Å; L268-F275 HydrophobicContact CD1-CE2 3.73Å; L268-F275 HydrophobicContact CD1-CZ 4.38Å; F269-F275 HydrophobicContact CD2-CB 3.94Å; F269-F275 HydrophobicContact CE2-CB 4.47Å; F275-I277 HydrophobicContact CD1-CD1 4.08Å; F275-I277 HydrophobicContact CD1-CG1 4.38Å; F275-I277 HydrophobicContact CE1-CD1 3.54Å; F275-I277 HydrophobicContact CE1-CG1 4.29Å; F275-Y289 PolarHBondContact N-O 2.86Å; F275-Y289 PolarHBondContact O-N 3.2Å; F275-L295 HydrophobicContact CD1-CD2 3.8Å; F275-L295 HydrophobicContact CE1-CD2 4.31Å; F275-L309 HydrophobicContact CE1-CD1 4.42Å; F275-V313 HydrophobicContact CZ-CG2 3.98Å; F275-A316 HydrophobicContact CE2-CB 4.22Å
276	V	96.8	Very high	91.3	Very high	56 Å²	56	62.2 Å²	62.2	34%	0.339	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	121.2	-178	-175.3	0	0	0	0	109.5	L278 T288	V276-L278 HydrophobicContact CG1-CD2 4.27Å; V276-T288 HydrophobicContact CG2-CG2 4.18Å
277	I	97.1	Very high	91.6	Very high	1 Å²	1	64.9 Å²	64.9	1%	0.005	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	123.8	167.4	-67.4	-67.6	0	0	0	109.1	F275 R279 N286 K287 Y289 L295 V304 D308 L309 S312	F275-I277 HydrophobicContact CD1-CD1 4.08Å; F275-I277 HydrophobicContact CD1-CG1 4.38Å; F275-I277 HydrophobicContact CE1-CD1 3.54Å; F275-I277 HydrophobicContact CE1-CG1 4.29Å; I277-R279 HydrophobicContact CG2-CB 4.18Å; I277-N286 VanDerWaalsContact O-CA 3.25Å; I277-N286 WeakPolarHBondContact O-CA 3.24Å; I277-K287 PolarHBondContact N-O 3.21Å; I277-K287 PolarHBondContact O-N 3.1Å; I277-Y289 HydrophobicContact CB-CE2 3.99Å; I277-Y289 HydrophobicContact CG1-CD2 4Å; I277-Y289 HydrophobicContact CG1-CE2 3.44Å; I277-Y289 VanDerWaalsContact CG1-CE2 3.44Å; I277-L295 HydrophobicContact CD1-CD1 3.83Å; I277-L295 HydrophobicContact CG1-CD1 3.72Å; I277-V304 HydrophobicContact CD1-CG1 4.03Å; I277-V304 HydrophobicContact CG1-CG1 4.41Å; I277-V304 HydrophobicContact CG2-CG1 4.23Å; I277-D308 HydrophobicContact CG2-CB 4.49Å; I277-L309 HydrophobicContact CD1-CD1 3.54Å; I277-S312 WeakPolarHBondContact CA-OG 3.35Å
278	L	94.6	Very high	92	Very high	59 Å²	59	68.5 Å²	68.5	31%	0.309	35%	0.347	S	S	.	.	P	Polyproline II helix	trans	-87.6	116.5	172.8	-56.8	179.1	0	0	0	109.1	V276 N286 D308 S312 V315	V276-L278 HydrophobicContact CG1-CD2 4.27Å; L278-N286 VanDerWaalsContact CA-OD1 3.3Å; L278-N286 WeakPolarHBondContact CA-OD1 3.44Å; L278-D308 WeakPolarHBondContact O-CB 3.47Å; L278-S312 PolarHBondContact N-OG 3.17Å; L278-V315 HydrophobicContact CD1-CB 4.13Å; L278-V315 HydrophobicContact CD1-CG1 4.41Å; L278-V315 HydrophobicContact CD1-CG2 3.74Å
279	R	92.9	Very high	92.2	Very high	27 Å²	27	68.2 Å²	68.2	10%	0.102	35%	0.345	C	S	.	.			trans	-148.8	141.7	-173.4	177.8	175.7	67.5	166.3	9	110.4	I277 W283 G284 G285 N286 V303	I277-R279 HydrophobicContact CG2-CB 4.18Å; R279-W283 HydrophobicContact CG-CB 3.79Å; R279-W283 PolarHBondContact NE-O 2.93Å; R279-W283 VanDerWaalsContact NE-O 3.09Å; R279-W283 PolarHBondContact NH1-O 3.12Å; R279-W283 PolarHBondContact NH2-O 3.16Å; R279-W283 VanDerWaalsContact NH2-O 3.14Å; R279-G284 PolarHBondContact NH2-O 3.01Å; R279-G285 PolarHBondContact NE-O 3.46Å; R279-G285 PolarHBondContact NH2-O 3.2Å; R279-G285 CarbonylContact O-C 3.59Å; R279-G285 VanDerWaalsContact O-C 3.27Å; R279-G285 WeakPolarHBondContact O-CA 3.34Å; R279-N286 PolarHBondContact N-OD1 3.49Å; R279-N286 PolarHBondContact O-N 3.23Å; R279-N286 PolarHBondContact O-OD1 2.97Å; R279-V303 VanDerWaalsContact NH1-CG1 3.34Å; R279-V303 PolarHBondContact NH1-O 3.32Å
280	D	91.3	Very high	92.4	Very high	92 Å²	92	72 Å²	72	49%	0.492	37%	0.371	S	S	.	.			trans	-61.1	147.7	-179.4	-68.5	-22.7	0	0	0	112.1	K282 W283 G285	D280-K282 HydrophobicContact CB-CD 4.42Å; D280-K282 HydrophobicContact CB-CG 3.76Å; D280-K282 PolarHBondContact O-N 3.37Å; D280-K282 VanDerWaalsContact O-N 3.15Å; D280-K282 WeakPolarHBondContact OD2-CE 3.48Å; D280-K282 IonicContact OD2-NZ 2.71Å; D280-W283 PolarHBondContact O-N 3.48Å; D280-G285 PolarHBondContact O-N 3.33Å; D280-G285 VanDerWaalsContact O-N 3.16Å
281	E	92.2	Very high	92.7	Very high	162 Å²	162	73.1 Å²	73.1	76%	0.757	38%	0.381	S	S	*	.	G	3₁₀ helix	trans	-53.7	-35.5	177.5	-69.5	-62.4	154.9	0	0	113.2	W283 G284	E281-W283 PolarHBondContact O-N 2.87Å; E281-W283 VanDerWaalsContact O-N 3.08Å; E281-G284 PolarHBondContact O-N 3.41Å
282	K	90.7	Very high	93.1	Very high	152 Å²	152	72.6 Å²	72.6	66%	0.661	38%	0.377	S	S	*	.	G	3₁₀ helix	trans	-58.7	-22	176.5	61	172.8	169.4	178.1	0	114	D280	D280-K282 HydrophobicContact CB-CD 4.42Å; D280-K282 HydrophobicContact CB-CG 3.76Å; D280-K282 PolarHBondContact O-N 3.37Å; D280-K282 VanDerWaalsContact O-N 3.15Å; D280-K282 WeakPolarHBondContact OD2-CE 3.48Å; D280-K282 IonicContact OD2-NZ 2.71Å
283	W	88	Confident	93.7	Very high	166 Å²	166	68.4 Å²	68.4	63%	0.629	36%	0.364	S	S	*	.	G	3₁₀ helix	trans	-109.8	15.4	178.6	-58.5	121.2	0	0	0	112.1	R279 D280 E281	R279-W283 HydrophobicContact CG-CB 3.79Å; R279-W283 PolarHBondContact NE-O 2.93Å; R279-W283 VanDerWaalsContact NE-O 3.09Å; R279-W283 PolarHBondContact NH1-O 3.12Å; R279-W283 PolarHBondContact NH2-O 3.16Å; R279-W283 VanDerWaalsContact NH2-O 3.14Å; D280-W283 PolarHBondContact O-N 3.48Å; E281-W283 PolarHBondContact O-N 2.87Å; E281-W283 VanDerWaalsContact O-N 3.08Å
284	G	88.5	Confident	94.1	Very high	54 Å²	54	68.2 Å²	68.2	56%	0.557	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	95.4	17.7	177.8	0	0	0	0	0	114.8	R279 E281	R279-G284 PolarHBondContact NH2-O 3.01Å; E281-G284 PolarHBondContact O-N 3.41Å
285	G	93.7	Very high	94.2	Very high	3 Å²	3	64.1 Å²	64.1	3%	0.031	34%	0.339	C	S	.	.			trans	67.8	-175.1	170	0	0	0	0	0	114.9	R279 D280	R279-G285 PolarHBondContact NE-O 3.46Å; R279-G285 PolarHBondContact NH2-O 3.2Å; R279-G285 CarbonylContact O-C 3.59Å; R279-G285 VanDerWaalsContact O-C 3.27Å; R279-G285 WeakPolarHBondContact O-CA 3.34Å; D280-G285 PolarHBondContact O-N 3.33Å; D280-G285 VanDerWaalsContact O-N 3.16Å
286	N	96.1	Very high	94.2	Very high	103 Å²	103	66.4 Å²	66.4	55%	0.551	35%	0.35	S	S	*	.			trans	-63.8	140.9	177.7	-67.6	-11	0	0	0	111.2	I277 L278 R279	I277-N286 VanDerWaalsContact O-CA 3.25Å; I277-N286 WeakPolarHBondContact O-CA 3.24Å; L278-N286 VanDerWaalsContact CA-OD1 3.3Å; L278-N286 WeakPolarHBondContact CA-OD1 3.44Å; R279-N286 PolarHBondContact N-OD1 3.49Å; R279-N286 PolarHBondContact O-N 3.23Å; R279-N286 PolarHBondContact O-OD1 2.97Å
287	K	96	Very high	94.2	Very high	81 Å²	81	70.1 Å²	70.1	35%	0.352	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	131.3	178.9	-174.9	170.4	174.3	-175.3	0	111.1	I277 Y289 D298	I277-K287 PolarHBondContact N-O 3.21Å; I277-K287 PolarHBondContact O-N 3.1Å; K287-Y289 HydrophobicContact CB-CE2 4.12Å; K287-Y289 HydrophobicContact CD-CE1 4.1Å; K287-Y289 HydrophobicContact CD-CE2 4.17Å; K287-Y289 HydrophobicContact CG-CD2 4.46Å; K287-Y289 HydrophobicContact CG-CE1 4.5Å; K287-Y289 HydrophobicContact CG-CE2 3.93Å; K287-D298 IonicContact NZ-OD2 2.66Å; K287-D298 PolarHBondContact NZ-OD2 3.41Å
288	T	97.1	Very high	94.2	Very high	76 Å²	76	71.6 Å²	71.6	47%	0.466	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	127.9	174.4	-55.4	0	0	0	0	109.8	E274 V276	E274-T288 HydrophobicContact CB-CG2 4.14Å; V276-T288 HydrophobicContact CG2-CG2 4.18Å
289	Y	96.5	Very high	94.3	Very high	5 Å²	5	68.8 Å²	68.8	2%	0.02	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	125.4	177	-63.7	-92.8	0	0	0	109.8	E274 F275 I277 K287 D294 L295 D298 V304	E274-Y289 CarbonylContact C-O 3.48Å; E274-Y289 WeakPolarHBondContact CA-O 3.42Å; E274-Y289 WeakPolarHBondContact CB-O 3.43Å; F275-Y289 PolarHBondContact N-O 2.86Å; F275-Y289 PolarHBondContact O-N 3.2Å; I277-Y289 HydrophobicContact CB-CE2 3.99Å; I277-Y289 HydrophobicContact CG1-CD2 4Å; I277-Y289 HydrophobicContact CG1-CE2 3.44Å; I277-Y289 VanDerWaalsContact CG1-CE2 3.44Å; K287-Y289 HydrophobicContact CB-CE2 4.12Å; K287-Y289 HydrophobicContact CD-CE1 4.1Å; K287-Y289 HydrophobicContact CD-CE2 4.17Å; K287-Y289 HydrophobicContact CG-CD2 4.46Å; K287-Y289 HydrophobicContact CG-CE1 4.5Å; K287-Y289 HydrophobicContact CG-CE2 3.93Å; Y289-D294 HydrophobicContact CD1-CB 3.93Å; Y289-D294 HydrophobicContact CE1-CB 4.48Å; Y289-L295 HydrophobicContact CD1-CB 3.83Å; Y289-L295 VanDerWaalsContact CD1-N 3.3Å; Y289-L295 HydrophobicContact CD2-CB 4.27Å; Y289-L295 HydrophobicContact CD2-CD1 4.02Å; Y289-L295 HydrophobicContact CE1-CB 4.15Å; Y289-L295 HydrophobicContact CE1-CD1 4.41Å; Y289-L295 HydrophobicContact CE2-CD1 3.76Å; Y289-L295 HydrophobicContact CG-CB 3.87Å; Y289-L295 HydrophobicContact CG-CD1 4.46Å; Y289-D298 HydrophobicContact CE1-CB 4.19Å; Y289-D298 WeakPolarHBondContact CE1-OD2 3.47Å; Y289-D298 PolarHBondContact OH-OD2 3.47Å; Y289-V304 WeakPolarHBondContact OH-CG2 3.42Å
290	T	95.6	Very high	94.4	Very high	106 Å²	106	69.8 Å²	69.8	65%	0.65	37%	0.368	S	S	*	.	S	Bend	trans	-100.5	-5.4	176.5	54.7	0	0	0	0	113.2	F269	F269-T290 WeakPolarHBondContact CZ-O 3.47Å
291	A	94.1	Very high	94.6	Very high	32 Å²	32	68.6 Å²	68.6	26%	0.264	37%	0.371	S	S	.	.	S	Bend	trans	-131.9	133.6	166.7	0	0	0	0	0	110.1	T293 D294	A291-T293 PolarHBondContact O-N 2.99Å; A291-D294 PolarHBondContact O-N 2.73Å; A291-D294 VanDerWaalsContact O-N 3.15Å
292	Y	93.9	Very high	94.8	Very high	26 Å²	26	67.5 Å²	67.5	10%	0.102	37%	0.366	C	S	.	.	H	α-helix	trans	-60.4	-34.6	178.7	168.9	-94	0	0	0	112.1	K265 F269 D294 L295 E296	K265-Y292 HydrophobicContact CB-CD2 3.78Å; K265-Y292 HydrophobicContact CB-CE1 4.3Å; K265-Y292 HydrophobicContact CB-CE2 3.51Å; K265-Y292 HydrophobicContact CB-CG 4.29Å; K265-Y292 HydrophobicContact CD-CD1 4.02Å; K265-Y292 HydrophobicContact CD-CE1 3.61Å; K265-Y292 HydrophobicContact CD-CE2 4.34Å; K265-Y292 HydrophobicContact CG-CD1 3.95Å; K265-Y292 HydrophobicContact CG-CD2 4.04Å; K265-Y292 HydrophobicContact CG-CE1 3.94Å; K265-Y292 HydrophobicContact CG-CE2 4.01Å; K265-Y292 HydrophobicContact CG-CG 4.02Å; F269-Y292 VanDerWaalsContact CZ-N 3.29Å; Y292-D294 PolarHBondContact O-N 2.72Å; Y292-L295 WeakPolarHBondContact O-CB 3.09Å; Y292-L295 PolarHBondContact O-N 3.34Å; Y292-L295 VanDerWaalsContact O-N 3.15Å; Y292-E296 HydrophobicContact CE1-CB 4.11Å; Y292-E296 HydrophobicContact CE1-CG 4.42Å; Y292-E296 WeakPolarHBondContact CE1-OE1 3.3Å; Y292-E296 PolarHBondContact O-N 2.91Å; Y292-E296 PolarHBondContact OH-OE1 3.19Å
293	T	95.1	Very high	94.9	Very high	71 Å²	71	63.7 Å²	63.7	44%	0.436	36%	0.355	S	S	.	.	H	α-helix	trans	-59.2	-29.7	178.1	50.6	0	0	0	0	113.2	A291 K297	A291-T293 PolarHBondContact O-N 2.99Å; T293-K297 WeakPolarHBondContact O-CB 3.25Å; T293-K297 VanDerWaalsContact O-CG 3.23Å; T293-K297 WeakPolarHBondContact O-CG 3.39Å; T293-K297 PolarHBondContact O-N 2.82Å
294	D	96.4	Very high	95.3	Very high	65 Å²	65	55.8 Å²	55.8	35%	0.348	33%	0.325	S	S	.	.	H	α-helix	trans	-77.4	-36.6	-179.6	-61.5	-19.8	0	0	0	110.8	Y289 A291 Y292 D298	Y289-D294 HydrophobicContact CD1-CB 3.93Å; Y289-D294 HydrophobicContact CE1-CB 4.48Å; A291-D294 PolarHBondContact O-N 2.73Å; A291-D294 VanDerWaalsContact O-N 3.15Å; Y292-D294 PolarHBondContact O-N 2.72Å; D294-D298 WeakPolarHBondContact O-CB 3.22Å; D294-D298 PolarHBondContact O-N 3.37Å
295	L	96.2	Very high	95.6	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-64.3	-43	171.1	173.9	64.4	0	0	0	111.2	L261 I264 F275 I277 Y289 Y292 D298 F299 V304 L309	L261-L295 HydrophobicContact CD2-CD2 4.43Å; L261-L295 HydrophobicContact CD2-CG 4.45Å; I264-L295 HydrophobicContact CD1-CD2 4.16Å; I264-L295 HydrophobicContact CG2-CD2 3.83Å; F275-L295 HydrophobicContact CD1-CD2 3.8Å; F275-L295 HydrophobicContact CE1-CD2 4.31Å; I277-L295 HydrophobicContact CD1-CD1 3.83Å; I277-L295 HydrophobicContact CG1-CD1 3.72Å; Y289-L295 HydrophobicContact CD1-CB 3.83Å; Y289-L295 VanDerWaalsContact CD1-N 3.3Å; Y289-L295 HydrophobicContact CD2-CB 4.27Å; Y289-L295 HydrophobicContact CD2-CD1 4.02Å; Y289-L295 HydrophobicContact CE1-CB 4.15Å; Y289-L295 HydrophobicContact CE1-CD1 4.41Å; Y289-L295 HydrophobicContact CE2-CD1 3.76Å; Y289-L295 HydrophobicContact CG-CB 3.87Å; Y289-L295 HydrophobicContact CG-CD1 4.46Å; Y292-L295 WeakPolarHBondContact O-CB 3.09Å; Y292-L295 PolarHBondContact O-N 3.34Å; Y292-L295 VanDerWaalsContact O-N 3.15Å; L295-D298 PolarHBondContact O-N 3.12Å; L295-F299 WeakPolarHBondContact O-CB 3.42Å; L295-F299 PolarHBondContact O-N 2.94Å; L295-V304 HydrophobicContact CD1-CG2 4.41Å; L295-L309 HydrophobicContact CD1-CD1 4.33Å
296	E	95.5	Very high	95.7	Very high	58 Å²	58	58.9 Å²	58.9	27%	0.271	33%	0.325	S	S	.	.	H	α-helix	trans	-62.3	-44.5	178.9	-172.8	170.5	-103.5	0	0	111.6	V255 Y292 F299 A300	V255-E296 HydrophobicContact CB-CG 3.96Å; V255-E296 HydrophobicContact CG1-CG 3.71Å; Y292-E296 HydrophobicContact CE1-CB 4.11Å; Y292-E296 HydrophobicContact CE1-CG 4.42Å; Y292-E296 WeakPolarHBondContact CE1-OE1 3.3Å; Y292-E296 PolarHBondContact O-N 2.91Å; Y292-E296 PolarHBondContact OH-OE1 3.19Å; E296-F299 PolarHBondContact O-N 2.79Å; E296-A300 WeakPolarHBondContact O-CB 3.36Å; E296-A300 PolarHBondContact O-N 2.6Å
297	K	96.7	Very high	95.6	Very high	133 Å²	133	55 Å²	55	58%	0.578	31%	0.31	S	S	*	.	H	α-helix	trans	-60.5	-46.1	174.2	-75.2	170.1	-173.7	171.4	0	112.4	T293 F299 A300 A301	T293-K297 WeakPolarHBondContact O-CB 3.25Å; T293-K297 VanDerWaalsContact O-CG 3.23Å; T293-K297 WeakPolarHBondContact O-CG 3.39Å; T293-K297 PolarHBondContact O-N 2.82Å; K297-F299 VanDerWaalsContact C-N 3.31Å; K297-F299 PolarHBondContact O-N 3.35Å; K297-A300 PolarHBondContact O-N 2.99Å; K297-A301 WeakPolarHBondContact O-CB 3.43Å; K297-A301 PolarHBondContact O-N 3.31Å
298	D	96.4	Very high	95.6	Very high	33 Å²	33	52.4 Å²	52.4	18%	0.176	30%	0.3	C	S	.	.	H	α-helix	trans	-69.5	-30.5	-179.3	-78.9	5.2	0	0	0	112.4	K287 Y289 D294 L295 E302 V303 V304	K287-D298 IonicContact NZ-OD2 2.66Å; K287-D298 PolarHBondContact NZ-OD2 3.41Å; Y289-D298 HydrophobicContact CE1-CB 4.19Å; Y289-D298 WeakPolarHBondContact CE1-OD2 3.47Å; Y289-D298 PolarHBondContact OH-OD2 3.47Å; D294-D298 WeakPolarHBondContact O-CB 3.22Å; D294-D298 PolarHBondContact O-N 3.37Å; L295-D298 PolarHBondContact O-N 3.12Å; D298-E302 PolarHBondContact O-N 3.43Å; D298-V303 HydrophobicContact CB-CB 4.4Å; D298-V303 WeakPolarHBondContact O-CB 3.41Å; D298-V303 PolarHBondContact O-N 2.81Å; D298-V304 HydrophobicContact CB-CG2 4.04Å; D298-V304 PolarHBondContact O-N 2.92Å
299	F	96.6	Very high	95.5	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-71.1	-43.5	171.8	-169.8	-94.1	0	0	0	111.7	E251 G253 N254 V255 N258 L261 L295 E296 K297 A301 E302 V304 P306 L309	E251-F299 WeakPolarHBondContact O-CE1 3.41Å; E251-F299 VanDerWaalsContact O-CZ 3.3Å; E251-F299 WeakPolarHBondContact O-CZ 3.49Å; G253-F299 WeakPolarHBondContact CA-O 3.44Å; N254-F299 VanDerWaalsContact O-CE1 3.31Å; N254-F299 WeakPolarHBondContact O-CE1 3.27Å; V255-F299 HydrophobicContact CG1-CD1 4.04Å; N258-F299 WeakPolarHBondContact ND2-CE1 3.07Å; L261-F299 HydrophobicContact CD1-CB 4.5Å; L261-F299 HydrophobicContact CD1-CD1 3.64Å; L261-F299 HydrophobicContact CD1-CE1 4.05Å; L261-F299 HydrophobicContact CD1-CG 4.08Å; L261-F299 HydrophobicContact CD2-CB 4.49Å; L261-F299 HydrophobicContact CD2-CG 4.37Å; L295-F299 WeakPolarHBondContact O-CB 3.42Å; L295-F299 PolarHBondContact O-N 2.94Å; E296-F299 PolarHBondContact O-N 2.79Å; K297-F299 VanDerWaalsContact C-N 3.31Å; K297-F299 PolarHBondContact O-N 3.35Å; F299-A301 VanDerWaalsContact C-N 3.28Å; F299-A301 PolarHBondContact O-N 3.38Å; F299-E302 PolarHBondContact O-N 3.39Å; F299-V304 HydrophobicContact CD2-CB 4.17Å; F299-V304 HydrophobicContact CD2-CG1 4.13Å; F299-V304 WeakPolarHBondContact CD2-O 3.35Å; F299-P306 HydrophobicContact CE2-CG 4.17Å; F299-P306 HydrophobicContact CZ-CG 4.12Å; F299-L309 HydrophobicContact CD2-CD2 3.82Å; F299-L309 HydrophobicContact CE2-CB 4.41Å; F299-L309 HydrophobicContact CE2-CD2 3.57Å; F299-L309 HydrophobicContact CZ-CD2 4.21Å
300	A	96	Very high	95.4	Very high	48 Å²	48	50.3 Å²	50.3	40%	0.397	28%	0.284	S	S	.	.	H	α-helix	trans	-61.7	-35.7	175.4	0	0	0	0	0	112.5	V255 E296 K297 E302	V255-A300 HydrophobicContact CG1-CB 3.83Å; E296-A300 WeakPolarHBondContact O-CB 3.36Å; E296-A300 PolarHBondContact O-N 2.6Å; K297-A300 PolarHBondContact O-N 2.99Å; A300-E302 PolarHBondContact O-N 3.09Å
301	A	96.4	Very high	95.4	Very high	66 Å²	66	48.4 Å²	48.4	55%	0.545	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.7	5.7	174.6	0	0	0	0	0	113.7	K297 F299 V303	K297-A301 WeakPolarHBondContact O-CB 3.43Å; K297-A301 PolarHBondContact O-N 3.31Å; F299-A301 VanDerWaalsContact C-N 3.28Å; F299-A301 PolarHBondContact O-N 3.38Å; A301-V303 HydrophobicContact CB-CG2 4.07Å; A301-V303 PolarHBondContact O-N 2.66Å; A301-V303 VanDerWaalsContact O-N 3.08Å
302	E	95.1	Very high	95.5	Very high	140 Å²	140	47 Å²	47	65%	0.654	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.9	18.7	-179.7	-59.1	-179.6	-146	0	0	114.7	P252 D298 F299 A300 V304	P252-E302 HydrophobicContact CB-CG 4.43Å; D298-E302 PolarHBondContact O-N 3.43Å; F299-E302 PolarHBondContact O-N 3.39Å; A300-E302 PolarHBondContact O-N 3.09Å; E302-V304 VanDerWaalsContact C-N 3.32Å
303	V	94.1	Very high	95.5	Very high	72 Å²	72	45.8 Å²	45.8	44%	0.436	25%	0.253	S	S	.	.			trans	-75.1	-27.1	175.1	177.6	0	0	0	0	111.1	R279 D298 A301	R279-V303 VanDerWaalsContact NH1-CG1 3.34Å; R279-V303 PolarHBondContact NH1-O 3.32Å; D298-V303 HydrophobicContact CB-CB 4.4Å; D298-V303 WeakPolarHBondContact O-CB 3.41Å; D298-V303 PolarHBondContact O-N 2.81Å; A301-V303 HydrophobicContact CB-CG2 4.07Å; A301-V303 PolarHBondContact O-N 2.66Å; A301-V303 VanDerWaalsContact O-N 3.08Å
304	V	95.6	Very high	95.5	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	24%	0.238	C	C	.	.	S	Bend	trans	-104.4	111.7	172.6	178	0	0	0	0	109.3	I277 Y289 L295 D298 F299 E302 L309	I277-V304 HydrophobicContact CD1-CG1 4.03Å; I277-V304 HydrophobicContact CG1-CG1 4.41Å; I277-V304 HydrophobicContact CG2-CG1 4.23Å; Y289-V304 WeakPolarHBondContact OH-CG2 3.42Å; L295-V304 HydrophobicContact CD1-CG2 4.41Å; D298-V304 HydrophobicContact CB-CG2 4.04Å; D298-V304 PolarHBondContact O-N 2.92Å; F299-V304 HydrophobicContact CD2-CB 4.17Å; F299-V304 HydrophobicContact CD2-CG1 4.13Å; F299-V304 WeakPolarHBondContact CD2-O 3.35Å; E302-V304 VanDerWaalsContact C-N 3.32Å; V304-L309 HydrophobicContact CG1-CB 4.15Å; V304-L309 HydrophobicContact CG1-CD1 4.33Å
305	H	95.2	Very high	95.5	Very high	114 Å²	114	43.4 Å²	43.4	53%	0.528	24%	0.239	S	C	.	.			trans	-72	142.6	178.1	-175	-100.9	0	0	0	111.2	G307 D308 L309	H305-G307 PolarHBondContact ND1-N 3.04Å; H305-G307 PolarHBondContact O-N 3.26Å; H305-G307 VanDerWaalsContact O-N 3.12Å; H305-D308 PolarHBondContact O-N 2.87Å; H305-L309 PolarHBondContact O-N 3.07Å
306	P	94.7	Very high	95.4	Very high	8 Å²	8	44.7 Å²	44.7	5%	0.052	25%	0.25	C	C	.	.	H	α-helix	trans	-55.6	-31.9	178.5	-30.5	36.7	0	0	0	115	C250 P252 F299 K310	C250-P306 HydrophobicContact CB-CB 4.12Å; C250-P306 VanDerWaalsContact O-CB 3.25Å; C250-P306 WeakPolarHBondContact O-CB 3.36Å; C250-P306 WeakPolarHBondContact O-CG 2.9Å; P252-P306 HydrophobicContact CB-CG 4.16Å; P252-P306 HydrophobicContact CG-CG 3.82Å; F299-P306 HydrophobicContact CE2-CG 4.17Å; F299-P306 HydrophobicContact CZ-CG 4.12Å; P306-K310 WeakPolarHBondContact O-CB 3.49Å; P306-K310 VanDerWaalsContact O-CG 3.28Å; P306-K310 WeakPolarHBondContact O-CG 3.38Å; P306-K310 PolarHBondContact O-N 3.15Å
307	G	94.7	Very high	95.3	Very high	22 Å²	22	42 Å²	42	23%	0.227	24%	0.237	C	C	.	.	H	α-helix	trans	-62.7	-43.9	174.9	0	0	0	0	0	112.6	H305 K310 N311	H305-G307 PolarHBondContact ND1-N 3.04Å; H305-G307 PolarHBondContact O-N 3.26Å; H305-G307 VanDerWaalsContact O-N 3.12Å; G307-K310 PolarHBondContact O-N 3.29Å; G307-N311 WeakPolarHBondContact O-CB 3.38Å; G307-N311 PolarHBondContact O-N 2.97Å; G307-N311 PolarHBondContact O-ND2 3.18Å; G307-N311 PolarHBondContact O-OD1 3.23Å
308	D	95.1	Very high	95.3	Very high	26 Å²	26	36.2 Å²	36.2	14%	0.139	21%	0.212	C	C	.	.	H	α-helix	trans	-70.4	-40.7	-179.8	-63.6	-20.9	0	0	0	110.7	I277 L278 H305 K310 N311 S312	I277-D308 HydrophobicContact CG2-CB 4.49Å; L278-D308 WeakPolarHBondContact O-CB 3.47Å; H305-D308 PolarHBondContact O-N 2.87Å; D308-K310 PolarHBondContact O-N 3.41Å; D308-N311 PolarHBondContact O-N 2.72Å; D308-S312 WeakPolarHBondContact O-CB 3.43Å; D308-S312 PolarHBondContact O-N 3.06Å; D308-S312 PolarHBondContact O-OG 3.26Å
309	L	95.4	Very high	95.2	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-57.9	-50.1	173.2	-170.3	68.6	0	0	0	111.1	V260 L261 I264 F275 I277 L295 F299 V304 H305 N311 S312 V313	V260-L309 HydrophobicContact CB-CD2 4.26Å; V260-L309 HydrophobicContact CG1-CD2 3.82Å; V260-L309 HydrophobicContact CG1-CG 3.83Å; L261-L309 HydrophobicContact CD2-CD1 4.18Å; L261-L309 HydrophobicContact CD2-CD2 3.71Å; L261-L309 HydrophobicContact CG-CD2 3.95Å; I264-L309 HydrophobicContact CD1-CD1 3.39Å; I264-L309 HydrophobicContact CD1-CG 4.03Å; F275-L309 HydrophobicContact CE1-CD1 4.42Å; I277-L309 HydrophobicContact CD1-CD1 3.54Å; L295-L309 HydrophobicContact CD1-CD1 4.33Å; F299-L309 HydrophobicContact CD2-CD2 3.82Å; F299-L309 HydrophobicContact CE2-CB 4.41Å; F299-L309 HydrophobicContact CE2-CD2 3.57Å; F299-L309 HydrophobicContact CZ-CD2 4.21Å; V304-L309 HydrophobicContact CG1-CB 4.15Å; V304-L309 HydrophobicContact CG1-CD1 4.33Å; H305-L309 PolarHBondContact O-N 3.07Å; L309-N311 PolarHBondContact O-N 3.13Å; L309-S312 PolarHBondContact O-N 2.96Å; L309-V313 WeakPolarHBondContact O-CG2 3.39Å; L309-V313 PolarHBondContact O-N 3.45Å
310	K	94.5	Very high	95.1	Very high	37 Å²	37	42.3 Å²	42.3	16%	0.161	24%	0.238	C	C	.	.	H	α-helix	trans	-62.4	-42	178.2	-76.6	-170.9	-80.3	-168	0	112.6	L245 K246 A248 C250 V260 P306 G307 D308 S312 V313 E314	L245-K310 WeakPolarHBondContact O-CD 3.37Å; K246-K310 PolarHBondContact O-NZ 3.05Å; A248-K310 HydrophobicContact CB-CD 4.47Å; A248-K310 PolarHBondContact O-NZ 3.29Å; C250-K310 HydrophobicContact CB-CD 4.34Å; V260-K310 HydrophobicContact CG1-CG 4.44Å; V260-K310 HydrophobicContact CG2-CG 4.2Å; P306-K310 WeakPolarHBondContact O-CB 3.49Å; P306-K310 VanDerWaalsContact O-CG 3.28Å; P306-K310 WeakPolarHBondContact O-CG 3.38Å; P306-K310 PolarHBondContact O-N 3.15Å; G307-K310 PolarHBondContact O-N 3.29Å; D308-K310 PolarHBondContact O-N 3.41Å; K310-S312 VanDerWaalsContact C-N 3.34Å; K310-V313 PolarHBondContact O-N 3.3Å; K310-E314 WeakPolarHBondContact O-CB 3.38Å; K310-E314 PolarHBondContact O-N 3.41Å
311	N	95.1	Very high	95.1	Very high	66 Å²	66	40 Å²	40	35%	0.353	22%	0.219	S	C	.	.	H	α-helix	trans	-63.6	-41	176.6	-70.4	-20.7	0	0	0	111.5	G307 D308 L309 E314 V315	G307-N311 WeakPolarHBondContact O-CB 3.38Å; G307-N311 PolarHBondContact O-N 2.97Å; G307-N311 PolarHBondContact O-ND2 3.18Å; G307-N311 PolarHBondContact O-OD1 3.23Å; D308-N311 PolarHBondContact O-N 2.72Å; L309-N311 PolarHBondContact O-N 3.13Å; N311-E314 WeakPolarHBondContact O-CB 3.49Å; N311-E314 PolarHBondContact O-N 3.36Å; N311-V315 WeakPolarHBondContact O-CG2 3.41Å; N311-V315 PolarHBondContact O-N 3.22Å
312	S	96	Very high	95.2	Very high	2 Å²	2	39.2 Å²	39.2	1%	0.014	21%	0.206	C	C	.	.	H	α-helix	trans	-63.9	-42.9	177.6	-54.6	0	0	0	0	111.3	I277 L278 D308 L309 K310 V315 A316	I277-S312 WeakPolarHBondContact CA-OG 3.35Å; L278-S312 PolarHBondContact N-OG 3.17Å; D308-S312 WeakPolarHBondContact O-CB 3.43Å; D308-S312 PolarHBondContact O-N 3.06Å; D308-S312 PolarHBondContact O-OG 3.26Å; L309-S312 PolarHBondContact O-N 2.96Å; K310-S312 VanDerWaalsContact C-N 3.34Å; S312-V315 PolarHBondContact O-N 2.89Å; S312-A316 WeakPolarHBondContact O-CB 3.35Å; S312-A316 PolarHBondContact O-N 2.93Å
313	V	94.8	Very high	95.2	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-64.6	-42	173.3	171.6	0	0	0	0	111.6	L218 L245 V260 F263 I264 L268 F275 L309 K310 V315 A316 L317	L218-V313 HydrophobicContact CD1-CG1 4.47Å; L245-V313 HydrophobicContact CD1-CG1 4.32Å; L245-V313 HydrophobicContact CD2-CG1 4.18Å; V260-V313 HydrophobicContact CG1-CB 4.34Å; V260-V313 HydrophobicContact CG1-CG2 3.71Å; F263-V313 HydrophobicContact CD1-CG1 4.13Å; I264-V313 HydrophobicContact CD1-CG2 3.57Å; I264-V313 HydrophobicContact CG1-CG2 3.52Å; L268-V313 HydrophobicContact CD1-CB 4.4Å; L268-V313 HydrophobicContact CD1-CG1 4.2Å; L268-V313 HydrophobicContact CD1-CG2 4.04Å; F275-V313 HydrophobicContact CZ-CG2 3.98Å; L309-V313 WeakPolarHBondContact O-CG2 3.39Å; L309-V313 PolarHBondContact O-N 3.45Å; K310-V313 PolarHBondContact O-N 3.3Å; V313-V315 VanDerWaalsContact C-N 3.32Å; V313-V315 PolarHBondContact O-N 3.46Å; V313-A316 PolarHBondContact O-N 2.77Å; V313-L317 WeakPolarHBondContact O-CB 3.3Å; V313-L317 PolarHBondContact O-N 2.7Å
314	E	95.1	Very high	95.4	Very high	26 Å²	26	31.9 Å²	31.9	12%	0.121	17%	0.172	C	C	.	.	H	α-helix	trans	-55.9	-47.2	176.2	-178.7	-170.6	155.6	0	0	111.3	K242 L245 K310 N311 N318	K242-E314 WeakPolarHBondContact CB-OE1 3.49Å; K242-E314 WeakPolarHBondContact CD-OE1 3.28Å; K242-E314 WeakPolarHBondContact CG-OE1 3.19Å; K242-E314 WeakPolarHBondContact CG-OE2 3.39Å; K242-E314 IonicContact NZ-OE1 3.66Å; L245-E314 VanDerWaalsContact CD1-CA 3.5Å; L245-E314 HydrophobicContact CD1-CB 3.66Å; L245-E314 HydrophobicContact CD1-CG 4.26Å; K310-E314 WeakPolarHBondContact O-CB 3.38Å; K310-E314 PolarHBondContact O-N 3.41Å; N311-E314 WeakPolarHBondContact O-CB 3.49Å; N311-E314 PolarHBondContact O-N 3.36Å; E314-N318 WeakPolarHBondContact O-CB 3.5Å; E314-N318 PolarHBondContact O-N 3Å; E314-N318 PolarHBondContact O-ND2 3.24Å
315	V	95.7	Very high	95.4	Very high	61 Å²	61	33.7 Å²	33.7	37%	0.37	18%	0.179	S	C	.	.	H	α-helix	trans	-65.9	-46.7	-179.6	172.2	0	0	0	0	111.1	L278 N311 S312 V313 K319	L278-V315 HydrophobicContact CD1-CB 4.13Å; L278-V315 HydrophobicContact CD1-CG1 4.41Å; L278-V315 HydrophobicContact CD1-CG2 3.74Å; N311-V315 WeakPolarHBondContact O-CG2 3.41Å; N311-V315 PolarHBondContact O-N 3.22Å; S312-V315 PolarHBondContact O-N 2.89Å; V313-V315 VanDerWaalsContact C-N 3.32Å; V313-V315 PolarHBondContact O-N 3.46Å; V315-K319 WeakPolarHBondContact O-CG 3.17Å; V315-K319 PolarHBondContact O-N 2.85Å
316	A	94.9	Very high	95.4	Very high	27 Å²	27	35.5 Å²	35.5	22%	0.223	19%	0.187	C	C	.	.	H	α-helix	trans	-66.3	-42.5	179.5	0	0	0	0	0	112.3	L268 F275 S312 V313 K319 L320	L268-A316 HydrophobicContact CD1-CB 3.86Å; L268-A316 HydrophobicContact CD2-CB 4Å; L268-A316 HydrophobicContact CG-CB 4.49Å; F275-A316 HydrophobicContact CE2-CB 4.22Å; S312-A316 WeakPolarHBondContact O-CB 3.35Å; S312-A316 PolarHBondContact O-N 2.93Å; V313-A316 PolarHBondContact O-N 2.77Å; A316-K319 WeakPolarHBondContact O-CB 3.04Å; A316-K319 PolarHBondContact O-N 3.29Å; A316-L320 PolarHBondContact O-N 2.85Å
317	L	94.1	Very high	95.5	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-65	-44.5	178.4	178.6	58.3	0	0	0	111.4	V50 L218 I232 V241 L245 F263 V313 K319 L320 L321	V50-L317 HydrophobicContact CB-CD1 4.45Å; V50-L317 HydrophobicContact CG1-CD1 3.95Å; V50-L317 HydrophobicContact CG1-CD2 4.21Å; L218-L317 HydrophobicContact CD2-CD2 4.22Å; I232-L317 HydrophobicContact CD1-CD2 4.27Å; V241-L317 HydrophobicContact CG1-CD2 3.93Å; L245-L317 HydrophobicContact CD1-CD2 4.44Å; F263-L317 HydrophobicContact CE1-CD1 4.03Å; F263-L317 HydrophobicContact CZ-CD1 3.82Å; V313-L317 WeakPolarHBondContact O-CB 3.3Å; V313-L317 PolarHBondContact O-N 2.7Å; L317-K319 VanDerWaalsContact C-N 3.26Å; L317-K319 PolarHBondContact O-N 3.44Å; L317-L320 WeakPolarHBondContact O-CA 3.47Å; L317-L320 WeakPolarHBondContact O-CB 3.5Å; L317-L320 PolarHBondContact O-N 3.11Å; L317-L321 HydrophobicContact CD1-CD1 4.05Å; L317-L321 HydrophobicContact CD1-CD2 4.37Å; L317-L321 HydrophobicContact CD1-CG 3.98Å; L317-L321 HydrophobicContact CD2-CD1 4.45Å; L317-L321 HydrophobicContact CG-CD1 3.89Å; L317-L321 HydrophobicContact CG-CG 4.21Å; L317-L321 WeakPolarHBondContact O-CG 3.38Å; L317-L321 PolarHBondContact O-N 2.95Å
318	N	95.9	Very high	95.5	Very high	12 Å²	12	37 Å²	37	6%	0.064	19%	0.187	C	C	.	.	H	α-helix	trans	-61.9	-35	176.9	-80.5	-57.5	0	0	0	112.2	E314 L320 L321 D322 R325	E314-N318 WeakPolarHBondContact O-CB 3.5Å; E314-N318 PolarHBondContact O-N 3Å; E314-N318 PolarHBondContact O-ND2 3.24Å; N318-L320 PolarHBondContact O-N 2.72Å; N318-L321 PolarHBondContact O-N 3.33Å; N318-L321 VanDerWaalsContact O-N 3.16Å; N318-D322 WeakPolarHBondContact O-CB 3.36Å; N318-D322 PolarHBondContact O-N 2.8Å; N318-R325 PolarHBondContact OD1-NH1 2.97Å; N318-R325 PolarHBondContact OD1-NH2 3.48Å
319	K	95.2	Very high	95.4	Very high	144 Å²	144	41 Å²	41	63%	0.626	21%	0.208	S	C	*	.	H	α-helix	trans	-60.7	-32.7	172.6	-71.4	174.4	-178.9	179.3	0	112.8	V315 A316 L317 P323	V315-K319 WeakPolarHBondContact O-CG 3.17Å; V315-K319 PolarHBondContact O-N 2.85Å; A316-K319 WeakPolarHBondContact O-CB 3.04Å; A316-K319 PolarHBondContact O-N 3.29Å; L317-K319 VanDerWaalsContact C-N 3.26Å; L317-K319 PolarHBondContact O-N 3.44Å; K319-P323 WeakPolarHBondContact O-CD 3.36Å
320	L	94.6	Very high	95.4	Very high	17 Å²	17	43.9 Å²	43.9	9%	0.089	23%	0.226	C	C	.	.	H	α-helix	trans	-78.8	-31.8	174.3	-65	174.2	0	0	0	113.1	F53 S107 V267 L268 L271 A316 L317 N318 I324	F53-L320 HydrophobicContact CE1-CB 4.42Å; F53-L320 HydrophobicContact CZ-CB 4.02Å; S107-L320 WeakPolarHBondContact OG-CA 3.27Å; S107-L320 PolarHBondContact OG-O 2.88Å; V267-L320 HydrophobicContact CG1-CD1 4.37Å; L268-L320 HydrophobicContact CD2-CD1 3.65Å; L271-L320 HydrophobicContact CD1-CD1 3.71Å; L271-L320 HydrophobicContact CD1-CD2 3.84Å; L271-L320 HydrophobicContact CD1-CG 4.37Å; A316-L320 PolarHBondContact O-N 2.85Å; L317-L320 WeakPolarHBondContact O-CA 3.47Å; L317-L320 WeakPolarHBondContact O-CB 3.5Å; L317-L320 PolarHBondContact O-N 3.11Å; N318-L320 PolarHBondContact O-N 2.72Å; L320-I324 WeakPolarHBondContact O-CD1 3.47Å
321	L	96	Very high	95.4	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-83.8	-26.9	-178.2	-63.9	-178.1	0	0	0	112.8	V50 F53 L234 V241 L317 N318 I324 R325	V50-L321 HydrophobicContact CG1-CD1 4.38Å; V50-L321 HydrophobicContact CG1-CD2 4.42Å; F53-L321 HydrophobicContact CE2-CD2 3.8Å; F53-L321 HydrophobicContact CZ-CD2 4.23Å; L234-L321 HydrophobicContact CD2-CD2 3.98Å; V241-L321 HydrophobicContact CG2-CD1 3.9Å; L317-L321 HydrophobicContact CD1-CD1 4.05Å; L317-L321 HydrophobicContact CD1-CD2 4.37Å; L317-L321 HydrophobicContact CD1-CG 3.98Å; L317-L321 HydrophobicContact CD2-CD1 4.45Å; L317-L321 HydrophobicContact CG-CD1 3.89Å; L317-L321 HydrophobicContact CG-CG 4.21Å; L317-L321 WeakPolarHBondContact O-CG 3.38Å; L317-L321 PolarHBondContact O-N 2.95Å; N318-L321 PolarHBondContact O-N 3.33Å; N318-L321 VanDerWaalsContact O-N 3.16Å; L321-I324 HydrophobicContact CD2-CD1 4.32Å; L321-I324 WeakPolarHBondContact O-CB 3.48Å; L321-I324 PolarHBondContact O-N 2.84Å; L321-I324 VanDerWaalsContact O-N 3.16Å; L321-R325 WeakPolarHBondContact O-CB 3.22Å; L321-R325 VanDerWaalsContact O-CG 3.25Å; L321-R325 WeakPolarHBondContact O-CG 3.31Å; L321-R325 PolarHBondContact O-N 2.65Å
322	D	96.6	Very high	95.4	Very high	50 Å²	50	48.1 Å²	48.1	27%	0.267	27%	0.267	S	S	.	.	H	α-helix	trans	-58.6	-49.2	-174.6	-76.5	-10	0	0	0	113.1	K238 N318 I324 R325 E326	K238-D322 VanDerWaalsContact CE-CG 3.46Å; K238-D322 WeakPolarHBondContact CE-OD1 3.14Å; K238-D322 WeakPolarHBondContact CE-OD2 3.19Å; K238-D322 IonicContact NZ-OD1 3.87Å; K238-D322 PolarHBondContact NZ-OD1 3.2Å; K238-D322 IonicContact NZ-OD2 3.75Å; K238-D322 PolarHBondContact NZ-OD2 3.07Å; N318-D322 WeakPolarHBondContact O-CB 3.36Å; N318-D322 PolarHBondContact O-N 2.8Å; D322-I324 VanDerWaalsContact C-N 3.29Å; D322-I324 PolarHBondContact O-N 3.09Å; D322-R325 PolarHBondContact O-N 2.92Å; D322-R325 IonicContact OD1-CZ 2.68Å; D322-R325 IonicContact OD1-NH1 2.75Å; D322-R325 PolarHBondContact OD1-NH1 3.42Å; D322-E326 WeakPolarHBondContact O-CB 3.45Å; D322-E326 PolarHBondContact O-N 3.44Å
323	P	96.6	Very high	95.3	Very high	58 Å²	58	49 Å²	49	38%	0.377	27%	0.271	S	S	.	.	H	α-helix	trans	-62.5	-34.7	175.5	-22.6	34	0	0	0	113.3	K319 K327	K319-P323 WeakPolarHBondContact O-CD 3.36Å; P323-K327 WeakPolarHBondContact O-CB 3.39Å; P323-K327 PolarHBondContact O-N 3.39Å
324	I	97.1	Very high	95.3	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-67.8	-48.2	179	-55.7	173.5	0	0	0	109.7	F53 V100 A103 M104 L235 L320 L321 D322 E326 K327 F328	F53-I324 HydrophobicContact CE1-CD1 4.44Å; F53-I324 HydrophobicContact CZ-CD1 3.68Å; V100-I324 HydrophobicContact CG2-CG2 4.38Å; A103-I324 HydrophobicContact CB-CB 4.41Å; A103-I324 HydrophobicContact CB-CG1 4.13Å; A103-I324 HydrophobicContact CB-CG2 4.09Å; M104-I324 HydrophobicContact CB-CD1 4.39Å; M104-I324 HydrophobicContact CG-CD1 3.71Å; L235-I324 HydrophobicContact CD2-CG2 4.02Å; L320-I324 WeakPolarHBondContact O-CD1 3.47Å; L321-I324 HydrophobicContact CD2-CD1 4.32Å; L321-I324 WeakPolarHBondContact O-CB 3.48Å; L321-I324 PolarHBondContact O-N 2.84Å; L321-I324 VanDerWaalsContact O-N 3.16Å; D322-I324 VanDerWaalsContact C-N 3.29Å; D322-I324 PolarHBondContact O-N 3.09Å; I324-E326 VanDerWaalsContact C-N 3.32Å; I324-E326 PolarHBondContact O-N 3.03Å; I324-K327 PolarHBondContact O-N 2.83Å; I324-F328 HydrophobicContact CG2-CD2 4.14Å; I324-F328 HydrophobicContact CG2-CE2 4.41Å; I324-F328 WeakPolarHBondContact O-CB 3.41Å; I324-F328 WeakPolarHBondContact O-CD2 3.33Å; I324-F328 PolarHBondContact O-N 3.11Å
325	R	96.4	Very high	95.2	Very high	38 Å²	38	61.3 Å²	61.3	14%	0.143	32%	0.324	C	S	.	.	H	α-helix	trans	-59.5	-44	176.7	-70.4	163.2	179	160	-2.3	111.2	D236 N318 L321 D322 F328 N329	D236-R325 PolarHBondContact O-NE 3.11Å; D236-R325 PolarHBondContact O-NH2 3.2Å; N318-R325 PolarHBondContact OD1-NH1 2.97Å; N318-R325 PolarHBondContact OD1-NH2 3.48Å; L321-R325 WeakPolarHBondContact O-CB 3.22Å; L321-R325 VanDerWaalsContact O-CG 3.25Å; L321-R325 WeakPolarHBondContact O-CG 3.31Å; L321-R325 PolarHBondContact O-N 2.65Å; D322-R325 PolarHBondContact O-N 2.92Å; D322-R325 IonicContact OD1-CZ 2.68Å; D322-R325 IonicContact OD1-NH1 2.75Å; D322-R325 PolarHBondContact OD1-NH1 3.42Å; R325-F328 PolarHBondContact O-N 3.35Å; R325-N329 WeakPolarHBondContact O-CB 3.38Å; R325-N329 PolarHBondContact O-N 3.35Å
326	E	95.8	Very high	95.1	Very high	151 Å²	151	59.4 Å²	59.4	71%	0.706	31%	0.312	S	S	*	.	H	α-helix	trans	-60	-49.7	178.5	-174.3	176.1	177.9	0	0	111.1	D322 I324 F328 N329	D322-E326 WeakPolarHBondContact O-CB 3.45Å; D322-E326 PolarHBondContact O-N 3.44Å; I324-E326 VanDerWaalsContact C-N 3.32Å; I324-E326 PolarHBondContact O-N 3.03Å; E326-F328 VanDerWaalsContact C-N 3.34Å; E326-F328 PolarHBondContact O-N 3.33Å; E326-N329 WeakPolarHBondContact O-CB 3.42Å; E326-N329 PolarHBondContact O-N 2.93Å; E326-N329 VanDerWaalsContact O-N 3.09Å
327	K	95.3	Very high	95	Very high	53 Å²	53	58.9 Å²	58.9	23%	0.23	31%	0.308	C	S	.	.	H	α-helix	trans	-59	-45.2	177.6	-166.9	170.1	-175.3	176.3	0	111.8	A103 E106 P323 I324 N329 T330 L333	A103-K327 HydrophobicContact CB-CD 3.96Å; E106-K327 IonicContact OE1-NZ 3.69Å; E106-K327 PolarHBondContact OE1-NZ 3.16Å; E106-K327 IonicContact OE2-NZ 2.7Å; E106-K327 PolarHBondContact OE2-NZ 2.86Å; P323-K327 WeakPolarHBondContact O-CB 3.39Å; P323-K327 PolarHBondContact O-N 3.39Å; I324-K327 PolarHBondContact O-N 2.83Å; K327-N329 PolarHBondContact O-N 3.27Å; K327-T330 WeakPolarHBondContact O-CG2 3.45Å; K327-T330 PolarHBondContact O-N 3.11Å; K327-T330 PolarHBondContact O-OG1 3.32Å; K327-L333 HydrophobicContact CG-CD1 3.83Å; K327-L333 WeakPolarHBondContact O-CD1 3.35Å
328	F	95.5	Very high	94.9	Very high	9 Å²	9	62.5 Å²	62.5	4%	0.039	33%	0.333	C	S	.	.	H	α-helix	trans	-75.2	-6.3	179	-85.3	-99.9	0	0	0	114.7	Y96 N99 V100 A103 L235 I324 R325 E326 T330 L333 K334 A337	Y96-F328 AromaticContact CD2-CE1 3.83Å; Y96-F328 HydrophobicContact CD2-CE1 3.83Å; Y96-F328 HydrophobicContact CE2-CD1 4.24Å; Y96-F328 AromaticContact CE2-CE1 3.58Å; Y96-F328 HydrophobicContact CE2-CE1 3.58Å; Y96-F328 HydrophobicContact CE2-CZ 4.38Å; N99-F328 HydrophobicContact CB-CE2 4.42Å; N99-F328 HydrophobicContact CB-CZ 3.87Å; V100-F328 HydrophobicContact CB-CE2 4.09Å; V100-F328 HydrophobicContact CB-CZ 3.74Å; V100-F328 HydrophobicContact CG2-CE2 4.18Å; V100-F328 HydrophobicContact CG2-CZ 4.15Å; A103-F328 HydrophobicContact CB-CE2 4.25Å; L235-F328 HydrophobicContact CD1-CB 4.18Å; L235-F328 HydrophobicContact CD1-CD1 3.79Å; L235-F328 HydrophobicContact CD1-CE1 4.46Å; L235-F328 HydrophobicContact CD1-CG 4.1Å; L235-F328 HydrophobicContact CD2-CB 3.61Å; L235-F328 HydrophobicContact CD2-CD1 4.2Å; L235-F328 HydrophobicContact CD2-CD2 4.05Å; L235-F328 HydrophobicContact CD2-CG 3.68Å; I324-F328 HydrophobicContact CG2-CD2 4.14Å; I324-F328 HydrophobicContact CG2-CE2 4.41Å; I324-F328 WeakPolarHBondContact O-CB 3.41Å; I324-F328 WeakPolarHBondContact O-CD2 3.33Å; I324-F328 PolarHBondContact O-N 3.11Å; R325-F328 PolarHBondContact O-N 3.35Å; E326-F328 VanDerWaalsContact C-N 3.34Å; E326-F328 PolarHBondContact O-N 3.33Å; F328-T330 VanDerWaalsContact C-N 3.3Å; F328-L333 HydrophobicContact CD1-CB 4.08Å; F328-L333 HydrophobicContact CG-CB 4.35Å; F328-K334 PolarHBondContact O-N 3.11Å; F328-A337 HydrophobicContact CD1-CB 4.44Å
329	N	93.6	Very high	94.6	Very high	111 Å²	111	63.8 Å²	63.8	59%	0.594	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-8.6	173	-161.7	33.2	0	0	0	112.9	R325 E326 K327	R325-N329 WeakPolarHBondContact O-CB 3.38Å; R325-N329 PolarHBondContact O-N 3.35Å; E326-N329 WeakPolarHBondContact O-CB 3.42Å; E326-N329 PolarHBondContact O-N 2.93Å; E326-N329 VanDerWaalsContact O-N 3.09Å; K327-N329 PolarHBondContact O-N 3.27Å
330	T	95.4	Very high	94.4	Very high	60 Å²	60	56.9 Å²	56.9	37%	0.368	32%	0.315	S	S	.	.	S	Bend	trans	-62.1	145.5	171.4	60.4	0	0	0	0	111.1	K327 F328 A332 L333 K334	K327-T330 WeakPolarHBondContact O-CG2 3.45Å; K327-T330 PolarHBondContact O-N 3.11Å; K327-T330 PolarHBondContact O-OG1 3.32Å; F328-T330 VanDerWaalsContact C-N 3.3Å; T330-A332 VanDerWaalsContact C-N 3.26Å; T330-A332 PolarHBondContact O-N 2.96Å; T330-L333 PolarHBondContact O-N 3.18Å; T330-K334 WeakPolarHBondContact O-CB 3.4Å; T330-K334 PolarHBondContact O-N 3.41Å
331	P	94.5	Very high	94.1	Very high	117 Å²	117	58 Å²	58	76%	0.76	32%	0.319	S	S	*	.	H	α-helix	trans	-55	-39.1	-176.3	-28.2	35	0	0	0	114	K335	P331-K335 WeakPolarHBondContact O-CB 3.49Å; P331-K335 PolarHBondContact O-N 3.09Å; P331-K335 VanDerWaalsContact O-N 3.11Å
332	A	94.7	Very high	93.5	Very high	74 Å²	74	59.8 Å²	59.8	61%	0.612	33%	0.33	S	S	*	.	H	α-helix	trans	-65.4	-50.9	-180	0	0	0	0	0	112.1	T330 K335 L336	T330-A332 VanDerWaalsContact C-N 3.26Å; T330-A332 PolarHBondContact O-N 2.96Å; A332-K335 PolarHBondContact O-N 3.3Å; A332-L336 PolarHBondContact O-N 3.39Å
333	L	94.2	Very high	92.1	Very high	20 Å²	20	60.9 Å²	60.9	11%	0.105	34%	0.336	C	S	.	.	H	α-helix	trans	-73.8	-30.7	-177.1	-66.9	179.6	0	0	0	112.6	N99 K327 F328 T330 L336 A337	N99-L333 HydrophobicContact CB-CD2 4Å; K327-L333 HydrophobicContact CG-CD1 3.83Å; K327-L333 WeakPolarHBondContact O-CD1 3.35Å; F328-L333 HydrophobicContact CD1-CB 4.08Å; F328-L333 HydrophobicContact CG-CB 4.35Å; T330-L333 PolarHBondContact O-N 3.18Å; L333-L336 HydrophobicContact CD2-CD2 3.93Å; L333-L336 PolarHBondContact O-N 3.45Å; L333-A337 WeakPolarHBondContact O-CB 3.42Å; L333-A337 PolarHBondContact O-N 3.26Å
334	K	93.1	Very high	90.1	Very high	122 Å²	122	62.8 Å²	62.8	53%	0.53	35%	0.349	S	S	.	.	H	α-helix	trans	-64.2	-40.5	171.4	-168.8	173.6	-176.2	172.3	0	112.2	F328 T330 S338	F328-K334 PolarHBondContact O-N 3.11Å; T330-K334 WeakPolarHBondContact O-CB 3.4Å; T330-K334 PolarHBondContact O-N 3.41Å; K334-S338 WeakPolarHBondContact O-CB 3.48Å; K334-S338 PolarHBondContact O-N 2.9Å; K334-S338 VanDerWaalsContact O-N 3.16Å; K334-S338 PolarHBondContact O-OG 2.75Å
335	K	93.8	Very high	87.4	Confident	163 Å²	163	67 Å²	67	71%	0.709	38%	0.378	S	S	*	.	H	α-helix	trans	-66	-44.1	173.4	-174.3	179.6	178.4	-177	0	110.8	P331 A332 S338 A339	P331-K335 WeakPolarHBondContact O-CB 3.49Å; P331-K335 PolarHBondContact O-N 3.09Å; P331-K335 VanDerWaalsContact O-N 3.11Å; A332-K335 PolarHBondContact O-N 3.3Å; K335-S338 PolarHBondContact O-N 2.95Å; K335-A339 WeakPolarHBondContact O-CB 3.45Å; K335-A339 PolarHBondContact O-N 3.22Å
336	L	93.7	Very high	84.4	Confident	22 Å²	22	73.4 Å²	73.4	12%	0.115	41%	0.407	C	S	.	.	H	α-helix	trans	-58.8	-50.7	176.8	177.5	62	0	0	0	111.7	L92 A332 L333 S338 A339 A340	L92-L336 HydrophobicContact CD2-CD1 3.95Å; A332-L336 PolarHBondContact O-N 3.39Å; L333-L336 HydrophobicContact CD2-CD2 3.93Å; L333-L336 PolarHBondContact O-N 3.45Å; L336-S338 VanDerWaalsContact C-N 3.3Å; L336-S338 PolarHBondContact O-N 3.14Å; L336-A339 PolarHBondContact O-N 3.35Å; L336-A339 VanDerWaalsContact O-N 3.11Å; L336-A340 VanDerWaalsContact O-CB 3.31Å; L336-A340 WeakPolarHBondContact O-CB 3.46Å; L336-A340 PolarHBondContact O-N 2.9Å
337	A	93.2	Very high	81.4	Confident	16 Å²	16	72 Å²	72	13%	0.132	40%	0.4	C	S	.	.	H	α-helix	trans	-57.2	-43.7	178.5	0	0	0	0	0	112.1	Y96 L235 F328 L333 Y341	Y96-A337 HydrophobicContact CD2-CB 4.05Å; Y96-A337 HydrophobicContact CE2-CB 3.72Å; L235-A337 HydrophobicContact CD1-CB 4.41Å; F328-A337 HydrophobicContact CD1-CB 4.44Å; L333-A337 WeakPolarHBondContact O-CB 3.42Å; L333-A337 PolarHBondContact O-N 3.26Å; A337-Y341 PolarHBondContact O-N 2.84Å; A337-Y341 VanDerWaalsContact O-N 3.09Å
338	S	90.8	Very high	78.3	Confident	75 Å²	75	78.9 Å²	78.9	52%	0.524	43%	0.43	S	S	.	.	H	α-helix	trans	-70.4	-29.7	178.2	-52.4	0	0	0	0	113	K334 K335 L336 P342	K334-S338 WeakPolarHBondContact O-CB 3.48Å; K334-S338 PolarHBondContact O-N 2.9Å; K334-S338 VanDerWaalsContact O-N 3.16Å; K334-S338 PolarHBondContact O-OG 2.75Å; K335-S338 PolarHBondContact O-N 2.95Å; L336-S338 VanDerWaalsContact C-N 3.3Å; L336-S338 PolarHBondContact O-N 3.14Å; S338-P342 WeakPolarHBondContact O-CA 3.45Å; S338-P342 WeakPolarHBondContact O-CB 3.39Å
339	A	90.9	Very high	75.1	Confident	39 Å²	39	84.8 Å²	84.8	32%	0.322	47%	0.47	S	S	.	.	H	α-helix	trans	-81.7	-36.5	178.4	0	0	0	0	0	112.5	L89 L92 K335 L336 P342	L89-A339 WeakPolarHBondContact CD1-O 3.35Å; L92-A339 HydrophobicContact CD1-CB 4.01Å; L92-A339 HydrophobicContact CD2-CB 4.43Å; K335-A339 WeakPolarHBondContact O-CB 3.45Å; K335-A339 PolarHBondContact O-N 3.22Å; L336-A339 PolarHBondContact O-N 3.35Å; L336-A339 VanDerWaalsContact O-N 3.11Å; A339-P342 WeakPolarHBondContact O-CD 3.47Å
340	A	90.3	Very high	72	Confident	0 Å²	0	88.8 Å²	88.8	0%	0	49%	0.487	C	S	.	.	H	α-helix	trans	-74.6	-33.3	179.3	0	0	0	0	0	112.9	L89 L92 R93 Y96 L336	L89-A340 WeakPolarHBondContact CD1-O 3.12Å; L92-A340 HydrophobicContact CB-CB 4.13Å; R93-A340 HydrophobicContact CG-CB 4.11Å; R93-A340 PolarHBondContact NE-O 3.16Å; R93-A340 VanDerWaalsContact NE-O 3.14Å; Y96-A340 HydrophobicContact CG-CB 4.45Å; L336-A340 VanDerWaalsContact O-CB 3.31Å; L336-A340 WeakPolarHBondContact O-CB 3.46Å; L336-A340 PolarHBondContact O-N 2.9Å
341	Y	89.5	Confident	69.5	Low	40 Å²	40	90.4 Å²	90.4	16%	0.157	51%	0.507	C	S	.	.	S	Bend	trans	-130.5	70.9	175.9	-56	-81.4	0	0	0	110	G46 K47 R93 Y96 Y97 A337 D343	G46-Y341 WeakPolarHBondContact O-CE1 3.32Å; G46-Y341 PolarHBondContact O-OH 2.61Å; K47-Y341 HydrophobicContact CB-CD1 3.9Å; K47-Y341 HydrophobicContact CB-CD2 4.46Å; K47-Y341 HydrophobicContact CB-CE1 3.76Å; K47-Y341 HydrophobicContact CB-CE2 4.35Å; K47-Y341 HydrophobicContact CB-CG 4.22Å; K47-Y341 HydrophobicContact CD-CD2 4.12Å; K47-Y341 HydrophobicContact CD-CG 4.09Å; K47-Y341 HydrophobicContact CG-CD1 4.35Å; K47-Y341 HydrophobicContact CG-CD2 4.04Å; K47-Y341 HydrophobicContact CG-CE1 4.33Å; K47-Y341 HydrophobicContact CG-CE2 4.03Å; K47-Y341 HydrophobicContact CG-CG 4.19Å; R93-Y341 HydrophobicContact CG-CE1 4.28Å; R93-Y341 HydrophobicContact CG-CE2 4.45Å; Y96-Y341 HydrophobicContact CD1-CD2 4.42Å; Y96-Y341 AromaticContact CD1-CE2 3.47Å; Y96-Y341 HydrophobicContact CD1-CE2 3.47Å; Y96-Y341 VanDerWaalsContact CD1-CE2 3.47Å; Y96-Y341 HydrophobicContact CD2-CD2 4.4Å; Y96-Y341 HydrophobicContact CD2-CE2 4.14Å; Y96-Y341 HydrophobicContact CE1-CD2 4.48Å; Y96-Y341 AromaticContact CE1-CE2 3.74Å; Y96-Y341 HydrophobicContact CE1-CE2 3.74Å; Y96-Y341 HydrophobicContact CE2-CD2 4.44Å; Y96-Y341 HydrophobicContact CE2-CE2 4.35Å; Y96-Y341 HydrophobicContact CG-CD2 4.37Å; Y96-Y341 AromaticContact CG-CE2 3.69Å; Y96-Y341 HydrophobicContact CG-CE2 3.69Å; Y97-Y341 WeakPolarHBondContact CE2-OH 3.4Å; A337-Y341 PolarHBondContact O-N 2.84Å; A337-Y341 VanDerWaalsContact O-N 3.09Å; Y341-D343 PolarHBondContact O-N 3.35Å
342	P	82.4	Confident	66.4	Low	38 Å²	38	91 Å²	91	25%	0.247	50%	0.497	C	S	.	.			trans	-67.8	129.7	-177.5	29.3	-34.6	0	0	0	110.4	S338 A339 P344 Q347	S338-P342 WeakPolarHBondContact O-CA 3.45Å; S338-P342 WeakPolarHBondContact O-CB 3.39Å; A339-P342 WeakPolarHBondContact O-CD 3.47Å; P342-P344 WeakPolarHBondContact O-CD 3.13Å; P342-Q347 HydrophobicContact CB-CG 3.8Å; P342-Q347 HydrophobicContact CG-CG 4.48Å
343	D	67.3	Low	63.3	Low	72 Å²	72	90.8 Å²	90.8	39%	0.385	50%	0.502	S	S	.	.			trans	-59.8	119.5	-178.4	-176.6	-18.6	0	0	0	109.7	Y341 S345 K346 Q347	Y341-D343 PolarHBondContact O-N 3.35Å; D343-S345 PolarHBondContact O-N 2.84Å; D343-S345 VanDerWaalsContact OD1-CB 3.25Å; D343-S345 WeakPolarHBondContact OD1-CB 3.25Å; D343-S345 PolarHBondContact OD1-N 2.97Å; D343-S345 PolarHBondContact OD1-OG 2.95Å; D343-S345 PolarHBondContact OD2-OG 3.3Å; D343-K346 HydrophobicContact CB-CB 4.28Å; D343-K346 PolarHBondContact O-N 3Å; D343-Q347 PolarHBondContact O-N 2.63Å
344	P	54.2	Low	61.1	Low	99 Å²	99	96 Å²	96	64%	0.643	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-8.1	179.7	11.1	-11.9	0	0	0	113.5	P342	P342-P344 WeakPolarHBondContact O-CD 3.13Å
345	S	40.7	Very low	58	Low	87 Å²	87	94.7 Å²	94.7	61%	0.608	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.4	-17.9	172.9	76.2	0	0	0	0	114.5	D343	D343-S345 PolarHBondContact O-N 2.84Å; D343-S345 VanDerWaalsContact OD1-CB 3.25Å; D343-S345 WeakPolarHBondContact OD1-CB 3.25Å; D343-S345 PolarHBondContact OD1-N 2.97Å; D343-S345 PolarHBondContact OD1-OG 2.95Å; D343-S345 PolarHBondContact OD2-OG 3.3Å
346	K	34.2	Very low	55	Low	174 Å²	174	96.4 Å²	96.4	76%	0.757	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.6	1.7	-175.2	-69	-178.1	-178.8	172.2	0	115.3	D343 K348	D343-K346 HydrophobicContact CB-CB 4.28Å; D343-K346 PolarHBondContact O-N 3Å; K346-K348 PolarHBondContact O-N 3.35Å
347	Q	31.9	Very low	52.5	Low	122 Å²	122	103.5 Å²	103.5	57%	0.57	60%	0.595	S	S	*	*			trans	-75.9	115.9	175.3	-74.7	-172.7	-43.5	0	0	112.4	P342 D343	P342-Q347 HydrophobicContact CB-CG 3.8Å; P342-Q347 HydrophobicContact CG-CG 4.48Å; D343-Q347 PolarHBondContact O-N 2.63Å
348	K	30.4	Very low	49.5	Very low	196 Å²	196	107.7 Å²	107.7	85%	0.852	62%	0.623	S	S	*	*			trans	-66	143	146.6	-83.3	-178.6	174.9	179.6	0	108.3	K346 M350	K346-K348 PolarHBondContact O-N 3.35Å; K348-M350 PolarHBondContact O-N 3.19Å
349	P	28.7	Very low	46.7	Very low	134 Å²	134	112.4 Å²	112.4	87%	0.87	64%	0.637	S	S	*	*			trans	-74.7	113.3	-173.6	8.6	4.7	0	0	0	110.1
350	M	28.5	Very low	44.1	Very low	194 Å²	194	116.3 Å²	116.3	96%	0.956	66%	0.659	S	S	*	*			trans	-127.3	138.8	160.1	-107.6	-175.5	149.8	0	0	108.8	K348	K348-M350 PolarHBondContact O-N 3.19Å
351	A	42.5	Very low	42.3	Very low	95 Å²	95	122.3 Å²	122.3	79%	0.785	69%	0.687	S	S	*	*			trans	-78.8	159.6	-158.1	0	0	0	0	0	115.4
352	K	29.1	Very low	41.3	Very low	130 Å²	130	126.4 Å²	126.4	57%	0.565	71%	0.707	S	S	*	*				-171.8	134.8	122	-97.5	174.7	-174.2	-174.1	0	112.1	P86 E88	P86-K352 HydrophobicContact CB-CB 3.99Å; P86-K352 HydrophobicContact CG-CB 4.08Å; E88-K352 VanDerWaalsContact CD-CD 3.45Å; E88-K352 HydrophobicContact CG-CD 4.43Å; E88-K352 WeakPolarHBondContact OE1-CD 3.2Å; E88-K352 IonicContact OE1-NZ 3.96Å; E88-K352 PolarHBondContact OE1-NZ 2.98Å; E88-K352 WeakPolarHBondContact OE2-CD 3.27Å; E88-K352 IonicContact OE2-NZ 3.3Å
353	G	30.3	Very low	41.3	Very low	69 Å²	69	127.4 Å²	127.4	71%	0.711	71%	0.71	S	S	*	*			trans	-97.9	-145.5	170.8	0	0	0	0	0	111.7
354	P	47.6	Very low	42.5	Very low	129 Å²	129	125.6 Å²	125.6	84%	0.838	70%	0.7	S	S	*	*			cis	-119.1	166.9	-4.5	38.5	-21.9	0	0	0	112.4
355	A	29.3	Very low	44.3	Very low	95 Å²	95	121.2 Å²	121.2	79%	0.785	67%	0.671	S	S	*	*	S	Bend	cis	-154.7	147.7	48.6	0	0	0	0	0	109
356	K	30.4	Very low	46.8	Very low	199 Å²	199	117.5 Å²	117.5	87%	0.865	65%	0.646	S	S	*	*	S	Bend	cis	-120.6	154.4	46.7	-83.2	167.6	167.7	172.8	0	111.7	S358	K356-S358 PolarHBondContact O-N 3.32Å
357	N	39.8	Very low	49.7	Very low	171 Å²	171	110.2 Å²	110.2	91%	0.914	61%	0.613	S	S	*	*			trans	-24.3	113.5	172.5	-73.5	-5.8	0	0	0	114.1
358	S	31	Very low	52.7	Low	104 Å²	104	104.6 Å²	104.6	73%	0.727	59%	0.587	S	S	*	*			trans	-160.4	130.9	145.8	47.1	0	0	0	0	110	K356	K356-S358 PolarHBondContact O-N 3.32Å
359	E	31.1	Very low	55.9	Low	173 Å²	173	96 Å²	96	81%	0.808	55%	0.551	S	S	*	*	S	Bend	trans	-40.9	161.6	157.2	-75.6	170.9	166.3	0	0	112.1	E361	E359-E361 PolarHBondContact O-N 3.35Å; E359-E361 VanDerWaalsContact O-N 3.17Å
360	P	36.6	Very low	59.2	Low	122 Å²	122	89.8 Å²	89.8	79%	0.792	51%	0.51	S	S	*	.	S	Bend	trans	-32.9	120.8	-175.2	10.7	-31	0	0	0	112.7	E362	P360-E362 WeakPolarHBondContact O-CA 3.37Å; P360-E362 PolarHBondContact O-N 3Å
361	E	53.7	Low	62.5	Low	125 Å²	125	83.1 Å²	83.1	58%	0.584	47%	0.474	S	S	*	.			trans	-47.4	86.6	-172.1	-132.1	-167.7	-126.2	0	0	110.3	E359 I363 R367 K485	E359-E361 PolarHBondContact O-N 3.35Å; E359-E361 VanDerWaalsContact O-N 3.17Å; E361-I363 PolarHBondContact O-N 3.35Å; E361-R367 IonicContact OE2-CZ 3.54Å; E361-R367 IonicContact OE2-NH1 3.77Å; E361-R367 PolarHBondContact OE2-NH1 3.03Å; E361-R367 IonicContact OE2-NH2 2.81Å; E361-R367 PolarHBondContact OE2-NH2 3.11Å; E361-K485 IonicContact OE1-NZ 2.86Å; E361-K485 IonicContact OE2-NZ 3.59Å; E361-K485 PolarHBondContact OE2-NZ 3.28Å
362	E	67.3	Low	65.2	Low	127 Å²	127	78.6 Å²	78.6	59%	0.593	44%	0.437	S	S	*	.			trans	-70.2	134.4	-170.4	-160.6	-176	175.8	0	0	106.8	P360 I364	P360-E362 WeakPolarHBondContact O-CA 3.37Å; P360-E362 PolarHBondContact O-N 3Å; E362-I364 HydrophobicContact CB-CG2 3.71Å; E362-I364 HydrophobicContact CG-CG2 3.56Å; E362-I364 PolarHBondContact O-N 3.07Å
363	I	83.3	Confident	68.5	Low	58 Å²	58	72.4 Å²	72.4	30%	0.297	41%	0.41	S	S	.	.			trans	-79.2	86.8	176.8	-60.9	-178.6	0	0	0	106.1	E361 K490 L491	E361-I363 PolarHBondContact O-N 3.35Å; I363-K490 HydrophobicContact CD1-CB 4.48Å; I363-K490 HydrophobicContact CD1-CD 3.37Å; I363-K490 HydrophobicContact CG2-CB 4.11Å; I363-L491 HydrophobicContact CG2-CD1 4.41Å; I363-L491 HydrophobicContact CG2-CD2 3.84Å; I363-L491 HydrophobicContact CG2-CG 3.74Å; I363-L491 WeakPolarHBondContact O-CD2 3.24Å
364	I	91.6	Very high	71.7	Confident	35 Å²	35	72.3 Å²	72.3	18%	0.179	39%	0.39	C	S	.	.			trans	-114	150.6	-175.6	58.2	175.2	0	0	0	111	E362 S366 R367 Y472	E362-I364 HydrophobicContact CB-CG2 3.71Å; E362-I364 HydrophobicContact CG-CG2 3.56Å; E362-I364 PolarHBondContact O-N 3.07Å; I364-S366 VanDerWaalsContact CD1-OG 3.23Å; I364-S366 WeakPolarHBondContact CD1-OG 3.3Å; I364-S366 WeakPolarHBondContact CG1-OG 3.38Å; I364-S366 PolarHBondContact O-N 3.29Å; I364-R367 HydrophobicContact CG1-CG 4.29Å; I364-R367 PolarHBondContact O-N 2.78Å; I364-Y472 HydrophobicContact CB-CD1 4.03Å; I364-Y472 HydrophobicContact CB-CE1 3.66Å; I364-Y472 HydrophobicContact CD1-CD1 4.25Å; I364-Y472 HydrophobicContact CD1-CE1 4.27Å; I364-Y472 HydrophobicContact CG2-CD1 4.48Å; I364-Y472 HydrophobicContact CG2-CE1 3.65Å
365	P	92.6	Very high	74.1	Confident	6 Å²	6	66.1 Å²	66.1	4%	0.039	35%	0.35	C	S	.	.	G	3₁₀ helix	trans	-64.7	-22.4	-173.7	24.4	-36.2	0	0	0	114.3	R367 L368 V469 Y472 W505	P365-R367 PolarHBondContact O-N 3.2Å; P365-L368 WeakPolarHBondContact O-CB 3.4Å; P365-L368 PolarHBondContact O-N 3.08Å; P365-V469 HydrophobicContact CB-CB 3.99Å; P365-V469 HydrophobicContact CB-CG2 3.48Å; P365-V469 VanDerWaalsContact CB-CG2 3.48Å; P365-V469 HydrophobicContact CG-CB 3.67Å; P365-V469 HydrophobicContact CG-CG1 4.19Å; P365-V469 HydrophobicContact CG-CG2 3.71Å; P365-Y472 HydrophobicContact CG-CD1 4.18Å; P365-Y472 HydrophobicContact CG-CD2 3.74Å; P365-Y472 HydrophobicContact CG-CE2 4.11Å; P365-Y472 HydrophobicContact CG-CG 3.77Å; P365-W505 HydrophobicContact CB-CD2 4.44Å; P365-W505 HydrophobicContact CB-CE3 4.47Å; P365-W505 VanDerWaalsContact CD-CH2 3.47Å; P365-W505 VanDerWaalsContact CD-CZ3 3.42Å; P365-W505 HydrophobicContact CG-CD2 4.05Å; P365-W505 HydrophobicContact CG-CE3 3.63Å; P365-W505 HydrophobicContact CG-CH2 4.32Å; P365-W505 HydrophobicContact CG-CZ3 3.78Å
366	S	93.6	Very high	77.4	Confident	10 Å²	10	64.7 Å²	64.7	7%	0.07	33%	0.328	C	S	.	.	G	3₁₀ helix	trans	-62.4	-17	-179.3	55.7	0	0	0	0	114.6	I364 L368 R466 Q476 P477	I364-S366 VanDerWaalsContact CD1-OG 3.23Å; I364-S366 WeakPolarHBondContact CD1-OG 3.3Å; I364-S366 WeakPolarHBondContact CG1-OG 3.38Å; I364-S366 PolarHBondContact O-N 3.29Å; S366-L368 VanDerWaalsContact C-N 3.28Å; S366-R466 PolarHBondContact O-NH2 3.28Å; S366-Q476 CarbonylContact O-C 3.5Å; S366-Q476 VanDerWaalsContact O-C 3.25Å; S366-P477 VanDerWaalsContact O-CA 3.29Å; S366-P477 WeakPolarHBondContact O-CA 3.27Å
367	R	93.8	Very high	80.5	Confident	21 Å²	21	57.7 Å²	57.7	8%	0.079	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-71.8	-18.9	175.1	-63.2	-178.7	63.7	156.9	8.1	113.7	E361 I364 P365 N425 D478 V487	E361-R367 IonicContact OE2-CZ 3.54Å; E361-R367 IonicContact OE2-NH1 3.77Å; E361-R367 PolarHBondContact OE2-NH1 3.03Å; E361-R367 IonicContact OE2-NH2 2.81Å; E361-R367 PolarHBondContact OE2-NH2 3.11Å; I364-R367 HydrophobicContact CG1-CG 4.29Å; I364-R367 PolarHBondContact O-N 2.78Å; P365-R367 PolarHBondContact O-N 3.2Å; R367-N425 PolarHBondContact O-ND2 2.91Å; R367-D478 IonicContact CZ-OD1 3.22Å; R367-D478 IonicContact CZ-OD2 3.25Å; R367-D478 IonicContact NE-OD1 3.2Å; R367-D478 PolarHBondContact NE-OD1 2.83Å; R367-D478 IonicContact NE-OD2 3.35Å; R367-D478 PolarHBondContact NE-OD2 2.81Å; R367-D478 IonicContact NH2-OD1 2.7Å; R367-D478 IonicContact NH2-OD2 2.81Å; R367-D478 PolarHBondContact NH2-OD2 2.93Å; R367-D478 PolarHBondContact O-N 2.95Å; R367-V487 HydrophobicContact CB-CG1 4.36Å
368	L	95.9	Very high	83.3	Confident	3 Å²	3	49.6 Å²	49.6	2%	0.016	26%	0.259	C	S	.	.	S	Bend	trans	-84.4	131.9	177.8	-55.8	-179.4	0	0	0	109.7	P365 S366 I370 L423 L481 V487 F488 L491 F495	P365-L368 WeakPolarHBondContact O-CB 3.4Å; P365-L368 PolarHBondContact O-N 3.08Å; S366-L368 VanDerWaalsContact C-N 3.28Å; L368-I370 HydrophobicContact CB-CD1 3.96Å; L368-I370 HydrophobicContact CB-CG1 3.82Å; L368-I370 HydrophobicContact CD1-CD1 4.05Å; L368-I370 PolarHBondContact O-N 2.8Å; L368-L423 HydrophobicContact CB-CD1 3.92Å; L368-L423 HydrophobicContact CD2-CD1 4.33Å; L368-L481 HydrophobicContact CD2-CD1 3.48Å; L368-L481 VanDerWaalsContact CD2-CD1 3.48Å; L368-L481 HydrophobicContact CD2-CD2 4.11Å; L368-L481 HydrophobicContact CD2-CG 4.45Å; L368-V487 HydrophobicContact CD2-CG1 4.49Å; L368-F488 HydrophobicContact CD1-CD2 4.14Å; L368-F488 HydrophobicContact CD2-CB 4.2Å; L368-F488 HydrophobicContact CD2-CD2 4.24Å; L368-L491 HydrophobicContact CD1-CB 4.41Å; L368-L491 HydrophobicContact CD1-CD1 3.74Å; L368-L491 HydrophobicContact CD2-CD1 3.96Å; L368-L491 HydrophobicContact CG-CD1 3.71Å; L368-F495 HydrophobicContact CD1-CE2 4.17Å; L368-F495 HydrophobicContact CD1-CZ 3.56Å
369	D	97.5	Very high	86.4	Confident	16 Å²	16	50.4 Å²	50.4	9%	0.086	25%	0.251	C	S	.	.			trans	-89.1	83.8	171.8	-169.7	9.1	0	0	0	108.7	R371 C424 N425 P477	D369-R371 WeakPolarHBondContact OD1-CG 3.35Å; D369-R371 IonicContact OD1-CZ 3.72Å; D369-R371 IonicContact OD1-NE 2.64Å; D369-R371 PolarHBondContact OD1-NE 2.84Å; D369-R371 IonicContact OD1-NH2 2.81Å; D369-R371 IonicContact OD2-CZ 3.92Å; D369-R371 VanDerWaalsContact OD2-CZ 3.29Å; D369-R371 IonicContact OD2-NE 2.99Å; D369-R371 PolarHBondContact OD2-NE 2.69Å; D369-R371 IonicContact OD2-NH2 2.68Å; D369-R371 PolarHBondContact OD2-NH2 2.71Å; D369-C424 HydrophobicContact CB-CB 4.32Å; D369-C424 WeakPolarHBondContact O-CB 3.44Å; D369-C424 PolarHBondContact O-N 3.29Å; D369-N425 HydrophobicContact CB-CB 3.62Å; D369-N425 VanDerWaalsContact CB-CG 3.43Å; D369-N425 VanDerWaalsContact N-CG 3.28Å; D369-N425 PolarHBondContact N-ND2 2.96Å; D369-N425 PolarHBondContact N-OD1 2.82Å; D369-P477 HydrophobicContact CB-CB 3.67Å; D369-P477 HydrophobicContact CB-CG 4.14Å
370	I	98.2	Very high	89.4	Confident	4 Å²	4	49.3 Å²	49.3	2%	0.021	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	126.1	178.4	-52.6	172	0	0	0	108.1	L368 V421 V422 L423 L441 V467 F510	L368-I370 HydrophobicContact CB-CD1 3.96Å; L368-I370 HydrophobicContact CB-CG1 3.82Å; L368-I370 HydrophobicContact CD1-CD1 4.05Å; L368-I370 PolarHBondContact O-N 2.8Å; I370-V421 HydrophobicContact CG2-CG1 3.21Å; I370-V422 WeakPolarHBondContact CA-O 3.3Å; I370-L423 HydrophobicContact CG1-CD1 3.88Å; I370-L441 HydrophobicContact CD1-CD1 4.18Å; I370-L441 HydrophobicContact CG1-CD1 4.45Å; I370-L441 HydrophobicContact CG2-CD1 3.96Å; I370-V467 HydrophobicContact CB-CB 4.02Å; I370-V467 HydrophobicContact CG2-CB 3.69Å; I370-V467 HydrophobicContact CG2-CG1 4.06Å; I370-V467 HydrophobicContact CG2-CG2 4.18Å; I370-V467 PolarHBondContact O-N 3.08Å; I370-F510 HydrophobicContact CD1-CD1 4.3Å; I370-F510 HydrophobicContact CD1-CE1 3.68Å
371	R	98.3	Very high	92.2	Very high	54 Å²	54	43.8 Å²	43.8	20%	0.204	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	154.6	-177.6	-56	-173.4	-167.5	166.9	6.5	111.2	D369 E396 V422 E465	D369-R371 WeakPolarHBondContact OD1-CG 3.35Å; D369-R371 IonicContact OD1-CZ 3.72Å; D369-R371 IonicContact OD1-NE 2.64Å; D369-R371 PolarHBondContact OD1-NE 2.84Å; D369-R371 IonicContact OD1-NH2 2.81Å; D369-R371 IonicContact OD2-CZ 3.92Å; D369-R371 VanDerWaalsContact OD2-CZ 3.29Å; D369-R371 IonicContact OD2-NE 2.99Å; D369-R371 PolarHBondContact OD2-NE 2.69Å; D369-R371 IonicContact OD2-NH2 2.68Å; D369-R371 PolarHBondContact OD2-NH2 2.71Å; R371-E396 IonicContact CZ-OE1 3.71Å; R371-E396 IonicContact NH1-OE1 3.29Å; R371-E396 PolarHBondContact NH1-OE1 2.88Å; R371-E396 IonicContact NH2-OE1 2.9Å; R371-V422 PolarHBondContact N-O 2.77Å; R371-V422 PolarHBondContact O-N 2.85Å; R371-E465 CarbonylContact C-O 3.54Å; R371-E465 VanDerWaalsContact CA-O 3.3Å; R371-E465 WeakPolarHBondContact CA-O 3.31Å
372	V	98.4	Very high	94	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	128.5	163.8	175.8	0	0	0	0	108.1	L419 V420 P457 A462 G464 E465 V467 T512	V372-L419 HydrophobicContact CG1-CD2 4.12Å; V372-V420 CarbonylContact C-O 3.56Å; V372-V420 WeakPolarHBondContact CA-O 3.29Å; V372-P457 HydrophobicContact CG1-CB 4.3Å; V372-P457 HydrophobicContact CG1-CG 3.96Å; V372-P457 HydrophobicContact CG2-CB 3.76Å; V372-P457 HydrophobicContact CG2-CG 4.31Å; V372-A462 WeakPolarHBondContact CB-O 3.33Å; V372-G464 PolarHBondContact O-N 3.03Å; V372-E465 HydrophobicContact CB-CB 4.24Å; V372-E465 HydrophobicContact CG2-CB 4.14Å; V372-E465 PolarHBondContact N-O 3.13Å; V372-V467 HydrophobicContact CG2-CG2 3.97Å; V372-T512 HydrophobicContact CG2-CG2 3.94Å
373	G	98.1	Very high	95.1	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	148.8	174	0	0	0	0	0	111.5	D393 L419 V420	G373-D393 CarbonylContact C-O 3.59Å; G373-D393 WeakPolarHBondContact CA-O 3.5Å; G373-L419 CarbonylContact O-C 3.56Å; G373-L419 VanDerWaalsContact O-CA 3.31Å; G373-L419 WeakPolarHBondContact O-CA 3.26Å; G373-V420 PolarHBondContact N-O 3.49Å; G373-V420 PolarHBondContact O-N 2.89Å
374	K	98.1	Very high	95.6	Very high	66 Å²	66	40.6 Å²	40.6	29%	0.287	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	124	167.2	-175.2	-178.7	178.7	-161	0	109.8	I376 I392 D393 D417 L419 P463	K374-I376 HydrophobicContact CB-CD1 4.49Å; K374-I376 HydrophobicContact CD-CD1 4.23Å; K374-I376 HydrophobicContact CG-CD1 4.23Å; K374-I376 PolarHBondContact O-N 2.68Å; K374-I392 CarbonylContact O-C 3.5Å; K374-I392 WeakPolarHBondContact O-CA 3.29Å; K374-D393 PolarHBondContact N-O 3.06Å; K374-D393 PolarHBondContact O-N 3.26Å; K374-D417 WeakPolarHBondContact CE-O 3.22Å; K374-D417 WeakPolarHBondContact CE-OD1 3.43Å; K374-D417 IonicContact NZ-OD1 3.64Å; K374-D417 PolarHBondContact NZ-OD1 3.2Å; K374-L419 HydrophobicContact CB-CD2 3.83Å; K374-L419 HydrophobicContact CG-CD2 4.23Å; K374-P463 HydrophobicContact CB-CG 3.74Å
375	I	98	Very high	95.5	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	116.7	174.7	-61.3	-179.7	0	0	0	108.9	V378 E390 I392 L415 D417 R418 V420 L440	I375-V378 HydrophobicContact CG2-CG2 3.26Å; I375-E390 HydrophobicContact CG2-CB 4.49Å; I375-I392 HydrophobicContact CG1-CD1 4.11Å; I375-I392 HydrophobicContact CG1-CG1 4.15Å; I375-L415 VanDerWaalsContact CB-O 3.29Å; I375-L415 WeakPolarHBondContact CB-O 3.12Å; I375-L415 HydrophobicContact CD1-CB 4.08Å; I375-L415 HydrophobicContact CD1-CD2 4.12Å; I375-L415 WeakPolarHBondContact CD1-O 3.2Å; I375-L415 WeakPolarHBondContact CG2-O 3.48Å; I375-D417 WeakPolarHBondContact O-CA 3.41Å; I375-D417 PolarHBondContact O-N 3.45Å; I375-R418 PolarHBondContact N-O 2.91Å; I375-V420 HydrophobicContact CD1-CG1 3.72Å; I375-V420 HydrophobicContact CD1-CG2 4.19Å; I375-V420 HydrophobicContact CG1-CG1 4.19Å; I375-V420 HydrophobicContact CG1-CG2 3.91Å; I375-L440 HydrophobicContact CD1-CD1 4.07Å
376	I	97.4	Very high	95.5	Very high	65 Å²	65	48.8 Å²	48.8	33%	0.333	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	-40.8	-179.6	-53.6	-57	0	0	0	111	K374 K391 D393 Q416	K374-I376 HydrophobicContact CB-CD1 4.49Å; K374-I376 HydrophobicContact CD-CD1 4.23Å; K374-I376 HydrophobicContact CG-CD1 4.23Å; K374-I376 PolarHBondContact O-N 2.68Å; I376-K391 HydrophobicContact CB-CB 4.48Å; I376-K391 PolarHBondContact N-O 3.01Å; I376-D393 HydrophobicContact CD1-CB 4.01Å; I376-D393 HydrophobicContact CG1-CB 4.03Å; I376-Q416 PolarHBondContact O-NE2 2.71Å
377	T	96.6	Very high	95.7	Very high	52 Å²	52	49.1 Å²	49.1	32%	0.319	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	147.2	175.7	62.8	0	0	0	0	110.3	E390 K391	T377-E390 VanDerWaalsContact O-CA 3.27Å; T377-E390 WeakPolarHBondContact O-CA 3.39Å; T377-K391 PolarHBondContact N-O 3.23Å; T377-K391 PolarHBondContact O-N 2.79Å; T377-K391 WeakPolarHBondContact OG1-CB 3.49Å; T377-K391 WeakPolarHBondContact OG1-CG 3.31Å
378	V	97.4	Very high	95.9	Very high	1 Å²	1	48.5 Å²	48.5	1%	0.006	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	124.5	173	-176.9	0	0	0	0	108.9	I375 Y388 E390 K412 L415	I375-V378 HydrophobicContact CG2-CG2 3.26Å; V378-Y388 HydrophobicContact CG1-CD1 3.69Å; V378-Y388 HydrophobicContact CG1-CD2 4.23Å; V378-Y388 HydrophobicContact CG1-CE1 4.14Å; V378-Y388 HydrophobicContact CG1-CG 3.76Å; V378-E390 HydrophobicContact CG1-CG 4.33Å; V378-E390 HydrophobicContact CG2-CG 4.14Å; V378-K412 HydrophobicContact CB-CD 4.37Å; V378-K412 HydrophobicContact CB-CG 3.97Å; V378-K412 HydrophobicContact CG1-CB 4.38Å; V378-K412 HydrophobicContact CG1-CD 4.39Å; V378-K412 HydrophobicContact CG1-CG 3.94Å; V378-K412 WeakPolarHBondContact O-CD 3.49Å; V378-K412 WeakPolarHBondContact O-CE 3.28Å; V378-K412 PolarHBondContact O-NZ 3.04Å; V378-L415 HydrophobicContact CG1-CD1 4.47Å; V378-L415 HydrophobicContact CG2-CB 3.83Å
379	E	96	Very high	95.9	Very high	120 Å²	120	49.5 Å²	49.5	56%	0.561	26%	0.26	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.1	148.6	176.5	-64.4	-176.8	178.3	0	0	110.1	Y388 V389	E379-Y388 CarbonylContact O-C 3.54Å; E379-Y388 VanDerWaalsContact O-CA 3.28Å; E379-Y388 WeakPolarHBondContact O-CA 3.34Å; E379-Y388 WeakPolarHBondContact O-CD1 3.29Å; E379-V389 PolarHBondContact N-O 3.46Å; E379-V389 PolarHBondContact O-N 3.46Å
380	K	95.6	Very high	96	Very high	150 Å²	150	48.8 Å²	48.8	65%	0.652	26%	0.256	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.1	137.1	169.7	-73.1	-172.5	175.9	-174.4	0	108.5	Y388	K380-Y388 HydrophobicContact CG-CD1 4.22Å; K380-Y388 HydrophobicContact CG-CE1 3.92Å
381	H	95.3	Very high	96	Very high	7 Å²	7	52.5 Å²	52.5	3%	0.032	27%	0.272	C	S	.	.			trans	-62.2	133.2	177.9	-171.9	-69.5	0	0	0	110	D383 A384 L387 V389 M431 R432 V434	H381-D383 VanDerWaalsContact C-N 3.27Å; H381-D383 PolarHBondContact ND1-N 2.88Å; H381-D383 PolarHBondContact O-N 3.37Å; H381-A384 HydrophobicContact CB-CB 4.13Å; H381-A384 PolarHBondContact ND1-N 3.37Å; H381-A384 PolarHBondContact O-N 2.94Å; H381-L387 HydrophobicContact CB-CB 3.69Å; H381-L387 VanDerWaalsContact CB-O 3.3Å; H381-L387 WeakPolarHBondContact CB-O 3.06Å; H381-L387 PolarHBondContact N-O 2.94Å; H381-V389 HydrophobicContact CB-CG2 3.99Å; H381-M431 PolarHBondContact NE2-O 2.85Å; H381-R432 PolarHBondContact CE1-O 2.81Å; H381-V434 VanDerWaalsContact NE2-CG2 3.29Å; H381-V434 WeakPolarHBondContact NE2-CG2 3.39Å
382	P	90.8	Very high	96	Very high	104 Å²	104	49.9 Å²	49.9	68%	0.675	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-36.9	-173.7	22.4	-34	0	0	0	112.9
383	D	91.4	Very high	95.9	Very high	124 Å²	124	52.1 Å²	52.1	66%	0.663	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.3	17.8	-175.6	-53.4	-51.1	0	0	0	114.1	H381	H381-D383 VanDerWaalsContact C-N 3.27Å; H381-D383 PolarHBondContact ND1-N 2.88Å; H381-D383 PolarHBondContact O-N 3.37Å
384	A	92.4	Very high	95.9	Very high	15 Å²	15	52.2 Å²	52.2	12%	0.124	27%	0.274	C	S	.	.			trans	-155.9	113.2	-178.9	0	0	0	0	0	114.4	H381 S386 L387 R432	H381-A384 HydrophobicContact CB-CB 4.13Å; H381-A384 PolarHBondContact ND1-N 3.37Å; H381-A384 PolarHBondContact O-N 2.94Å; A384-S386 PolarHBondContact O-N 2.8Å; A384-L387 HydrophobicContact CB-CB 4.06Å; A384-L387 HydrophobicContact CB-CD1 3.74Å; A384-L387 HydrophobicContact CB-CG 3.86Å; A384-L387 PolarHBondContact O-N 3.3Å; A384-R432 HydrophobicContact CB-CG 4.21Å
385	D	91.1	Very high	95.7	Very high	157 Å²	157	51.4 Å²	51.4	84%	0.84	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-17.6	-176.9	-61.9	-36.6	0	0	0	114.9	V407	D385-V407 VanDerWaalsContact O-CG1 3.31Å; D385-V407 WeakPolarHBondContact O-CG1 3.39Å
386	S	92.5	Very high	95.5	Very high	55 Å²	55	54.8 Å²	54.8	39%	0.385	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.5	-3	-179.8	61.7	0	0	0	0	114	A384 G405 V407	A384-S386 PolarHBondContact O-N 2.8Å; S386-G405 CarbonylContact O-C 3.56Å; S386-G405 WeakPolarHBondContact O-CA 3.4Å; S386-V407 VanDerWaalsContact C-CG2 3.42Å
387	L	96.3	Very high	95.3	Very high	17 Å²	17	56.6 Å²	56.6	9%	0.089	33%	0.325	C	S	.	.			trans	-115.9	139.9	-172.3	-57.3	-179.2	0	0	0	112.6	H381 A384 V403 S404 V407 M431 R432	H381-L387 HydrophobicContact CB-CB 3.69Å; H381-L387 VanDerWaalsContact CB-O 3.3Å; H381-L387 WeakPolarHBondContact CB-O 3.06Å; H381-L387 PolarHBondContact N-O 2.94Å; A384-L387 HydrophobicContact CB-CB 4.06Å; A384-L387 HydrophobicContact CB-CD1 3.74Å; A384-L387 HydrophobicContact CB-CG 3.86Å; A384-L387 PolarHBondContact O-N 3.3Å; L387-V403 HydrophobicContact CB-CG1 4.08Å; L387-V403 HydrophobicContact CD1-CG1 3.88Å; L387-V403 HydrophobicContact CG-CG1 4.38Å; L387-S404 CarbonylContact C-O 3.56Å; L387-S404 VanDerWaalsContact CA-O 3.22Å; L387-S404 WeakPolarHBondContact CA-O 3.45Å; L387-V407 WeakPolarHBondContact O-CG2 3.49Å; L387-M431 HydrophobicContact CD1-CB 4.41Å; L387-M431 HydrophobicContact CD1-CE 4.1Å; L387-M431 HydrophobicContact CD2-CE 3.95Å; L387-R432 HydrophobicContact CD1-CG 4.47Å
388	Y	97.9	Very high	95.1	Very high	9 Å²	9	61.2 Å²	61.2	4%	0.035	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	154.7	161.1	-71.8	-53.3	0	0	0	110.2	V378 E379 K380 E390 V403 S404 L406 V407 V410 K412 L415	V378-Y388 HydrophobicContact CG1-CD1 3.69Å; V378-Y388 HydrophobicContact CG1-CD2 4.23Å; V378-Y388 HydrophobicContact CG1-CE1 4.14Å; V378-Y388 HydrophobicContact CG1-CG 3.76Å; E379-Y388 CarbonylContact O-C 3.54Å; E379-Y388 VanDerWaalsContact O-CA 3.28Å; E379-Y388 WeakPolarHBondContact O-CA 3.34Å; E379-Y388 WeakPolarHBondContact O-CD1 3.29Å; K380-Y388 HydrophobicContact CG-CD1 4.22Å; K380-Y388 HydrophobicContact CG-CE1 3.92Å; Y388-E390 VanDerWaalsContact CB-OE1 3.26Å; Y388-E390 WeakPolarHBondContact CB-OE1 3.48Å; Y388-V403 VanDerWaalsContact O-CA 3.31Å; Y388-V403 WeakPolarHBondContact O-CA 3.2Å; Y388-V403 WeakPolarHBondContact O-CG1 3.49Å; Y388-S404 PolarHBondContact N-O 2.9Å; Y388-S404 PolarHBondContact O-N 3.48Å; Y388-S404 VanDerWaalsContact O-N 3.13Å; Y388-L406 HydrophobicContact CD2-CB 4.02Å; Y388-L406 HydrophobicContact CE2-CB 4.3Å; Y388-V407 HydrophobicContact CD1-CG2 3.74Å; Y388-V407 HydrophobicContact CD2-CG2 3.84Å; Y388-V407 HydrophobicContact CE1-CB 4.48Å; Y388-V407 HydrophobicContact CE1-CG2 3.74Å; Y388-V407 VanDerWaalsContact CE2-CA 3.45Å; Y388-V407 HydrophobicContact CE2-CB 4.2Å; Y388-V407 HydrophobicContact CE2-CG2 3.85Å; Y388-V407 HydrophobicContact CG-CG2 3.77Å; Y388-V410 WeakPolarHBondContact CE2-O 3.37Å; Y388-V410 PolarHBondContact OH-O 3.27Å; Y388-K412 HydrophobicContact CE1-CB 4.26Å; Y388-K412 PolarHBondContact OH-N 3.02Å; Y388-L415 HydrophobicContact CD2-CD1 3.75Å; Y388-L415 HydrophobicContact CE2-CD1 3.77Å
389	V	97.5	Very high	95.1	Very high	24 Å²	24	63.4 Å²	63.4	15%	0.145	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	113.6	166	-178.1	0	0	0	0	106.8	E379 H381 T401 V403 V434	E379-V389 PolarHBondContact N-O 3.46Å; E379-V389 PolarHBondContact O-N 3.46Å; H381-V389 HydrophobicContact CB-CG2 3.99Å; V389-T401 HydrophobicContact CG1-CG2 3.82Å; V389-V403 HydrophobicContact CG2-CG2 4.45Å; V389-V434 HydrophobicContact CG1-CG1 4.16Å; V389-V434 HydrophobicContact CG2-CG1 4.32Å
390	E	98.3	Very high	95.1	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	140.4	-177.9	-57.3	97.4	158.3	0	0	111.8	I375 T377 V378 Y388 I392 T401 V402 S404	I375-E390 HydrophobicContact CG2-CB 4.49Å; T377-E390 VanDerWaalsContact O-CA 3.27Å; T377-E390 WeakPolarHBondContact O-CA 3.39Å; V378-E390 HydrophobicContact CG1-CG 4.33Å; V378-E390 HydrophobicContact CG2-CG 4.14Å; Y388-E390 VanDerWaalsContact CB-OE1 3.26Å; Y388-E390 WeakPolarHBondContact CB-OE1 3.48Å; E390-I392 HydrophobicContact CB-CD1 4.06Å; E390-I392 HydrophobicContact CB-CG1 3.8Å; E390-T401 CarbonylContact O-C 3.41Å; E390-T401 WeakPolarHBondContact O-CA 3.42Å; E390-V402 PolarHBondContact N-O 2.63Å; E390-V402 PolarHBondContact O-N 3.43Å; E390-S404 VanDerWaalsContact OE1-CB 3.26Å; E390-S404 WeakPolarHBondContact OE1-CB 3.37Å; E390-S404 PolarHBondContact OE1-OG 3.05Å; E390-S404 PolarHBondContact OE2-N 3.34Å
391	K	98.1	Very high	95.3	Very high	82 Å²	82	53.5 Å²	53.5	36%	0.357	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	115.6	161.7	-69.1	-63.9	-168.5	172.6	0	108.4	I376 T377 P399 R400 T401	I376-K391 HydrophobicContact CB-CB 4.48Å; I376-K391 PolarHBondContact N-O 3.01Å; T377-K391 PolarHBondContact N-O 3.23Å; T377-K391 PolarHBondContact O-N 2.79Å; T377-K391 WeakPolarHBondContact OG1-CB 3.49Å; T377-K391 WeakPolarHBondContact OG1-CG 3.31Å; K391-P399 HydrophobicContact CB-CB 4.27Å; K391-R400 WeakPolarHBondContact CA-O 3.23Å; K391-T401 PolarHBondContact NZ-OG1 3.17Å
392	I	98.2	Very high	95.4	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	119.1	-174.9	-45.6	-170.5	0	0	0	109.7	K374 I375 E390 V394 P399 R400 V402 V420 V422 L440	K374-I392 CarbonylContact O-C 3.5Å; K374-I392 WeakPolarHBondContact O-CA 3.29Å; I375-I392 HydrophobicContact CG1-CD1 4.11Å; I375-I392 HydrophobicContact CG1-CG1 4.15Å; E390-I392 HydrophobicContact CB-CD1 4.06Å; E390-I392 HydrophobicContact CB-CG1 3.8Å; I392-V394 HydrophobicContact CG2-CG1 4.1Å; I392-V394 PolarHBondContact O-N 2.81Å; I392-P399 WeakPolarHBondContact O-CA 3.41Å; I392-R400 PolarHBondContact N-O 3.21Å; I392-R400 PolarHBondContact O-N 3.39Å; I392-V402 HydrophobicContact CD1-CB 3.82Å; I392-V402 HydrophobicContact CD1-CG1 4.27Å; I392-V402 HydrophobicContact CD1-CG2 3.82Å; I392-V402 HydrophobicContact CG1-CB 4.28Å; I392-V402 HydrophobicContact CG1-CG2 4.16Å; I392-V420 HydrophobicContact CD1-CG2 4.34Å; I392-V420 HydrophobicContact CG2-CG2 4.24Å; I392-V422 HydrophobicContact CD1-CG2 4.32Å; I392-V422 HydrophobicContact CG2-CG2 4.06Å; I392-L440 HydrophobicContact CD1-CD1 4.26Å
393	D	97.8	Very high	95.7	Very high	47 Å²	47	48.7 Å²	48.7	25%	0.251	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	116.2	169.9	175	9.5	0	0	0	109	G373 K374 I376 G395 P463	G373-D393 CarbonylContact C-O 3.59Å; G373-D393 WeakPolarHBondContact CA-O 3.5Å; K374-D393 PolarHBondContact N-O 3.06Å; K374-D393 PolarHBondContact O-N 3.26Å; I376-D393 HydrophobicContact CD1-CB 4.01Å; I376-D393 HydrophobicContact CG1-CB 4.03Å; D393-G395 PolarHBondContact OD1-N 2.86Å; D393-P463 HydrophobicContact CB-CB 4.45Å
394	V	97.1	Very high	95.9	Very high	1 Å²	1	43.3 Å²	43.3	1%	0.006	26%	0.255	C	S	.	.			trans	-116.2	26	178.4	-63.6	0	0	0	0	111.7	I392 E396 R400 V422 G464	I392-V394 HydrophobicContact CG2-CG1 4.1Å; I392-V394 PolarHBondContact O-N 2.81Å; V394-E396 HydrophobicContact CG2-CB 4.42Å; V394-E396 HydrophobicContact CG2-CG 4.07Å; V394-R400 HydrophobicContact CG2-CG 3.96Å; V394-V422 HydrophobicContact CG1-CB 4.21Å; V394-V422 HydrophobicContact CG1-CG1 4.36Å; V394-V422 HydrophobicContact CG1-CG2 4.22Å; V394-G464 VanDerWaalsContact C-CA 3.44Å; V394-G464 WeakPolarHBondContact O-CA 3.07Å
395	G	94.1	Very high	96	Very high	49 Å²	49	44.5 Å²	44.5	51%	0.505	27%	0.269	S	S	.	.	S	Bend	trans	74.6	24.1	-179	0	0	0	0	0	114.2	D393	D393-G395 PolarHBondContact OD1-N 2.86Å
396	E	94.8	Very high	96.1	Very high	71 Å²	71	37.3 Å²	37.3	33%	0.332	23%	0.23	S	C	.	.	S	Bend	trans	-101.8	171.3	174.7	-71.3	177.3	-178.2	0	0	110.7	R371 V394 E398 R400	R371-E396 IonicContact CZ-OE1 3.71Å; R371-E396 IonicContact NH1-OE1 3.29Å; R371-E396 PolarHBondContact NH1-OE1 2.88Å; R371-E396 IonicContact NH2-OE1 2.9Å; V394-E396 HydrophobicContact CG2-CB 4.42Å; V394-E396 HydrophobicContact CG2-CG 4.07Å; E396-E398 PolarHBondContact O-N 2.86Å; E396-R400 IonicContact OE1-CZ 3.31Å; E396-R400 IonicContact OE1-NE 2.69Å; E396-R400 PolarHBondContact OE1-NE 3.35Å; E396-R400 IonicContact OE1-NH2 3.2Å; E396-R400 PolarHBondContact OE1-NH2 2.93Å; E396-R400 IonicContact OE2-CZ 3.27Å; E396-R400 IonicContact OE2-NE 3.46Å; E396-R400 PolarHBondContact OE2-NE 2.89Å; E396-R400 IonicContact OE2-NH2 3.67Å; E396-R400 PolarHBondContact OE2-NH2 3.43Å
397	A	91.4	Very high	96.3	Very high	103 Å²	103	36.1 Å²	36.1	85%	0.851	22%	0.22	S	C	*	.	S	Bend	trans	-60.2	-34	-179	0	0	0	0	0	112.7
398	E	93.6	Very high	96.1	Very high	149 Å²	149	42.6 Å²	42.6	70%	0.696	25%	0.25	S	S	*	.	S	Bend	trans	-130.4	143	178.5	-67.5	-63	149	0	0	110.4	E396	E396-E398 PolarHBondContact O-N 2.86Å
399	P	96.1	Very high	95.8	Very high	47 Å²	47	45.1 Å²	45.1	31%	0.305	26%	0.262	S	S	.	.	P	Polyproline II helix	trans	-61.7	138	174.5	-22.2	32.9	0	0	0	112.2	K391 I392	K391-P399 HydrophobicContact CB-CB 4.27Å; I392-P399 WeakPolarHBondContact O-CA 3.41Å
400	R	97.9	Very high	95.6	Very high	39 Å²	39	44.3 Å²	44.3	15%	0.147	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	144.3	177	-67.7	-171.9	177.4	-154.4	9.7	111.3	K391 I392 V394 E396 C424 Q437	K391-R400 WeakPolarHBondContact CA-O 3.23Å; I392-R400 PolarHBondContact N-O 3.21Å; I392-R400 PolarHBondContact O-N 3.39Å; V394-R400 HydrophobicContact CG2-CG 3.96Å; E396-R400 IonicContact OE1-CZ 3.31Å; E396-R400 IonicContact OE1-NE 2.69Å; E396-R400 PolarHBondContact OE1-NE 3.35Å; E396-R400 IonicContact OE1-NH2 3.2Å; E396-R400 PolarHBondContact OE1-NH2 2.93Å; E396-R400 IonicContact OE2-CZ 3.27Å; E396-R400 IonicContact OE2-NE 3.46Å; E396-R400 PolarHBondContact OE2-NE 2.89Å; E396-R400 IonicContact OE2-NH2 3.67Å; E396-R400 PolarHBondContact OE2-NH2 3.43Å; R400-C424 PolarHBondContact NH1-O 2.79Å; R400-Q437 HydrophobicContact CB-CB 4.42Å; R400-Q437 WeakPolarHBondContact CD-O 3.32Å; R400-Q437 PolarHBondContact NH1-O 3.01Å
401	T	98	Very high	95.5	Very high	23 Å²	23	47 Å²	47	14%	0.141	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	122.5	165.2	-49.8	0	0	0	0	108.8	V389 E390 K391 V434 Q437	V389-T401 HydrophobicContact CG1-CG2 3.82Å; E390-T401 CarbonylContact O-C 3.41Å; E390-T401 WeakPolarHBondContact O-CA 3.42Å; K391-T401 PolarHBondContact NZ-OG1 3.17Å; T401-V434 HydrophobicContact CG2-CG1 4Å; T401-Q437 PolarHBondContact O-N 3.13Å
402	V	97.8	Very high	95.2	Very high	1 Å²	1	47 Å²	47	1%	0.006	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	142.8	171.9	178.4	0	0	0	0	107.8	E390 I392 L440	E390-V402 PolarHBondContact N-O 2.63Å; E390-V402 PolarHBondContact O-N 3.43Å; I392-V402 HydrophobicContact CD1-CB 3.82Å; I392-V402 HydrophobicContact CD1-CG1 4.27Å; I392-V402 HydrophobicContact CD1-CG2 3.82Å; I392-V402 HydrophobicContact CG1-CB 4.28Å; I392-V402 HydrophobicContact CG1-CG2 4.16Å; V402-L440 HydrophobicContact CG1-CB 4.33Å
403	V	97.3	Very high	95	Very high	10 Å²	10	54.1 Å²	54.1	6%	0.061	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	112.1	175.1	-177	0	0	0	0	108	L387 Y388 V389 M431 V434 S436	L387-V403 HydrophobicContact CB-CG1 4.08Å; L387-V403 HydrophobicContact CD1-CG1 3.88Å; L387-V403 HydrophobicContact CG-CG1 4.38Å; Y388-V403 VanDerWaalsContact O-CA 3.31Å; Y388-V403 WeakPolarHBondContact O-CA 3.2Å; Y388-V403 WeakPolarHBondContact O-CG1 3.49Å; V389-V403 HydrophobicContact CG2-CG2 4.45Å; V403-M431 HydrophobicContact CB-CB 4.31Å; V403-M431 HydrophobicContact CB-SD 3.88Å; V403-M431 HydrophobicContact CG1-CB 3.93Å; V403-M431 HydrophobicContact CG1-CE 4.17Å; V403-M431 HydrophobicContact CG1-SD 3.96Å; V403-V434 HydrophobicContact CG2-CB 4.14Å; V403-V434 HydrophobicContact CG2-CG1 3.72Å; V403-S436 PolarHBondContact N-OG 2.88Å
404	S	95.4	Very high	94.8	Very high	11 Å²	11	56.1 Å²	56.1	8%	0.077	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	151.1	-175.9	88.4	0	0	0	0	112.7	L387 Y388 E390 L406	L387-S404 CarbonylContact C-O 3.56Å; L387-S404 VanDerWaalsContact CA-O 3.22Å; L387-S404 WeakPolarHBondContact CA-O 3.45Å; Y388-S404 PolarHBondContact N-O 2.9Å; Y388-S404 PolarHBondContact O-N 3.48Å; Y388-S404 VanDerWaalsContact O-N 3.13Å; E390-S404 VanDerWaalsContact OE1-CB 3.26Å; E390-S404 WeakPolarHBondContact OE1-CB 3.37Å; E390-S404 PolarHBondContact OE1-OG 3.05Å; E390-S404 PolarHBondContact OE2-N 3.34Å; S404-L406 VanDerWaalsContact C-N 3.26Å; S404-L406 PolarHBondContact O-N 3.25Å; S404-L406 WeakPolarHBondContact OG-CG 3.4Å
405	G	94.7	Very high	94.7	Very high	40 Å²	40	56.1 Å²	56.1	41%	0.412	32%	0.315	S	S	.	.	S	Bend	trans	-87.8	33.4	176.1	0	0	0	0	0	114.4	S386 F409	S386-G405 CarbonylContact O-C 3.56Å; S386-G405 WeakPolarHBondContact O-CA 3.4Å; G405-F409 WeakPolarHBondContact O-CD2 3.4Å
406	L	94.6	Very high	94.8	Very high	6 Å²	6	56.9 Å²	56.9	3%	0.031	31%	0.305	C	S	.	.			trans	-91.9	-4	-166.8	-67.1	176.7	0	0	0	115.6	Y388 S404 Q408 F409 V410 L415 L440 V452 P454	Y388-L406 HydrophobicContact CD2-CB 4.02Å; Y388-L406 HydrophobicContact CE2-CB 4.3Å; S404-L406 VanDerWaalsContact C-N 3.26Å; S404-L406 PolarHBondContact O-N 3.25Å; S404-L406 WeakPolarHBondContact OG-CG 3.4Å; L406-Q408 PolarHBondContact O-N 2.78Å; L406-Q408 VanDerWaalsContact O-N 3.09Å; L406-F409 PolarHBondContact O-N 3.28Å; L406-V410 HydrophobicContact CD2-CG2 4.32Å; L406-V410 PolarHBondContact O-N 2.71Å; L406-L415 HydrophobicContact CB-CD1 4.35Å; L406-L415 HydrophobicContact CD1-CD1 4.28Å; L406-L415 HydrophobicContact CD1-CD2 4.27Å; L406-L440 HydrophobicContact CD1-CD1 4.11Å; L406-L440 HydrophobicContact CD1-CD2 4.15Å; L406-V452 HydrophobicContact CD2-CG1 3.72Å; L406-P454 HydrophobicContact CD1-CG 4.3Å
407	V	94.9	Very high	94.9	Very high	29 Å²	29	57.7 Å²	57.7	18%	0.176	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-36.9	-173.6	-178.2	0	0	0	0	113.2	D385 S386 L387 Y388 F409	D385-V407 VanDerWaalsContact O-CG1 3.31Å; D385-V407 WeakPolarHBondContact O-CG1 3.39Å; S386-V407 VanDerWaalsContact C-CG2 3.42Å; L387-V407 WeakPolarHBondContact O-CG2 3.49Å; Y388-V407 HydrophobicContact CD1-CG2 3.74Å; Y388-V407 HydrophobicContact CD2-CG2 3.84Å; Y388-V407 HydrophobicContact CE1-CB 4.48Å; Y388-V407 HydrophobicContact CE1-CG2 3.74Å; Y388-V407 VanDerWaalsContact CE2-CA 3.45Å; Y388-V407 HydrophobicContact CE2-CB 4.2Å; Y388-V407 HydrophobicContact CE2-CG2 3.85Å; Y388-V407 HydrophobicContact CG-CG2 3.77Å; V407-F409 VanDerWaalsContact C-N 3.33Å
408	Q	92	Very high	95.1	Very high	154 Å²	154	54.8 Å²	54.8	72%	0.72	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.1	-6.3	-177.9	-63.6	-177.6	-8.3	0	0	113.7	L406	L406-Q408 PolarHBondContact O-N 2.78Å; L406-Q408 VanDerWaalsContact O-N 3.09Å
409	F	92.8	Very high	95.3	Very high	62 Å²	62	50.1 Å²	50.1	27%	0.272	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.2	-35.3	-169.7	-55.1	-70.1	0	0	0	113	G405 L406 V407 R450 V452	G405-F409 WeakPolarHBondContact O-CD2 3.4Å; L406-F409 PolarHBondContact O-N 3.28Å; V407-F409 VanDerWaalsContact C-N 3.33Å; F409-R450 HydrophobicContact CE1-CB 4.34Å; F409-R450 HydrophobicContact CE1-CG 4.17Å; F409-R450 WeakPolarHBondContact CE1-O 3.27Å; F409-R450 HydrophobicContact CZ-CG 4.28Å; F409-V452 HydrophobicContact CB-CB 3.96Å; F409-V452 HydrophobicContact CD1-CB 4Å; F409-V452 HydrophobicContact CD1-CG2 3.91Å; F409-V452 HydrophobicContact CD2-CB 3.99Å; F409-V452 HydrophobicContact CD2-CG2 3.96Å; F409-V452 HydrophobicContact CE1-CG2 3.94Å; F409-V452 HydrophobicContact CE2-CG2 3.99Å; F409-V452 HydrophobicContact CG-CB 3.71Å; F409-V452 HydrophobicContact CG-CG2 3.93Å; F409-V452 HydrophobicContact CZ-CG2 3.98Å
410	V	93.5	Very high	95.4	Very high	7 Å²	7	47.9 Å²	47.9	4%	0.042	24%	0.244	C	C	.	.	S	Bend	trans	-132.6	124.3	-175.8	-167.2	0	0	0	0	109.9	Y388 L406 E414 L415 P454	Y388-V410 WeakPolarHBondContact CE2-O 3.37Å; Y388-V410 PolarHBondContact OH-O 3.27Å; L406-V410 HydrophobicContact CD2-CG2 4.32Å; L406-V410 PolarHBondContact O-N 2.71Å; V410-E414 HydrophobicContact CG1-CB 3.86Å; V410-L415 HydrophobicContact CB-CD1 4.31Å; V410-L415 HydrophobicContact CB-CD2 4.36Å; V410-L415 HydrophobicContact CB-CG 4.24Å; V410-L415 HydrophobicContact CG1-CD1 4.33Å; V410-L415 HydrophobicContact CG1-CD2 3.83Å; V410-L415 HydrophobicContact CG1-CG 3.73Å; V410-P454 HydrophobicContact CG2-CG 4.18Å
411	P	94.8	Very high	95.4	Very high	57 Å²	57	46.1 Å²	46.1	37%	0.37	24%	0.238	S	C	.	.			trans	-59.3	145.2	172.2	-22.7	33.8	0	0	0	111.4	E413 E414 L415	P411-E413 WeakPolarHBondContact CB-OE2 3.39Å; P411-E413 PolarHBondContact O-N 3.3Å; P411-E414 HydrophobicContact CB-CG 4.43Å; P411-E414 HydrophobicContact CG-CG 4.42Å; P411-E414 PolarHBondContact O-N 3.06Å; P411-L415 PolarHBondContact O-N 3.38Å
412	K	93.1	Very high	95.4	Very high	82 Å²	82	45 Å²	45	36%	0.357	23%	0.231	S	C	.	.	H	α-helix	trans	-54.9	-37.7	178.6	166.4	172.5	166.2	166.9	0	111.5	V378 Y388 E414 L415 Q416	V378-K412 HydrophobicContact CB-CD 4.37Å; V378-K412 HydrophobicContact CB-CG 3.97Å; V378-K412 HydrophobicContact CG1-CB 4.38Å; V378-K412 HydrophobicContact CG1-CD 4.39Å; V378-K412 HydrophobicContact CG1-CG 3.94Å; V378-K412 WeakPolarHBondContact O-CD 3.49Å; V378-K412 WeakPolarHBondContact O-CE 3.28Å; V378-K412 PolarHBondContact O-NZ 3.04Å; Y388-K412 HydrophobicContact CE1-CB 4.26Å; Y388-K412 PolarHBondContact OH-N 3.02Å; K412-E414 PolarHBondContact O-N 2.73Å; K412-L415 PolarHBondContact O-N 3.21Å; K412-L415 VanDerWaalsContact O-N 3.07Å; K412-Q416 PolarHBondContact O-N 3.29Å
413	E	94.5	Very high	95.4	Very high	149 Å²	149	45 Å²	45	70%	0.696	23%	0.23	S	C	*	.	H	α-helix	trans	-65.4	-27.5	-178.1	-58.9	70.3	-150.9	0	0	112	P411	P411-E413 WeakPolarHBondContact CB-OE2 3.39Å; P411-E413 PolarHBondContact O-N 3.3Å
414	E	92.9	Very high	95.4	Very high	89 Å²	89	44.7 Å²	44.7	42%	0.416	23%	0.229	S	C	.	.	H	α-helix	trans	-84.5	-11	175.5	-68.9	-170.4	-140.5	0	0	113.2	V410 P411 K412 R418 K520	V410-E414 HydrophobicContact CG1-CB 3.86Å; P411-E414 HydrophobicContact CB-CG 4.43Å; P411-E414 HydrophobicContact CG-CG 4.42Å; P411-E414 PolarHBondContact O-N 3.06Å; K412-E414 PolarHBondContact O-N 2.73Å; E414-R418 WeakPolarHBondContact O-CD 3.31Å; E414-K520 IonicContact OE2-NZ 3.62Å
415	L	95.4	Very high	95.5	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-100.1	-30.6	177.1	-68.4	175.5	0	0	0	112.3	I375 V378 Y388 L406 V410 P411 K412 D417 R418 P454	I375-L415 VanDerWaalsContact CB-O 3.29Å; I375-L415 WeakPolarHBondContact CB-O 3.12Å; I375-L415 HydrophobicContact CD1-CB 4.08Å; I375-L415 HydrophobicContact CD1-CD2 4.12Å; I375-L415 WeakPolarHBondContact CD1-O 3.2Å; I375-L415 WeakPolarHBondContact CG2-O 3.48Å; V378-L415 HydrophobicContact CG1-CD1 4.47Å; V378-L415 HydrophobicContact CG2-CB 3.83Å; Y388-L415 HydrophobicContact CD2-CD1 3.75Å; Y388-L415 HydrophobicContact CE2-CD1 3.77Å; L406-L415 HydrophobicContact CB-CD1 4.35Å; L406-L415 HydrophobicContact CD1-CD1 4.28Å; L406-L415 HydrophobicContact CD1-CD2 4.27Å; V410-L415 HydrophobicContact CB-CD1 4.31Å; V410-L415 HydrophobicContact CB-CD2 4.36Å; V410-L415 HydrophobicContact CB-CG 4.24Å; V410-L415 HydrophobicContact CG1-CD1 4.33Å; V410-L415 HydrophobicContact CG1-CD2 3.83Å; V410-L415 HydrophobicContact CG1-CG 3.73Å; P411-L415 PolarHBondContact O-N 3.38Å; K412-L415 PolarHBondContact O-N 3.21Å; K412-L415 VanDerWaalsContact O-N 3.07Å; L415-D417 PolarHBondContact O-N 3.38Å; L415-R418 VanDerWaalsContact O-CB 3.29Å; L415-R418 WeakPolarHBondContact O-CB 3.3Å; L415-R418 PolarHBondContact O-N 3.05Å; L415-R418 VanDerWaalsContact O-N 3.13Å; L415-P454 HydrophobicContact CD2-CG 3.86Å
416	Q	96.1	Very high	95.4	Very high	65 Å²	65	44.3 Å²	44.3	30%	0.304	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	128.2	179.1	-175.3	57.9	55.3	0	0	110.9	I376 K412 R418	I376-Q416 PolarHBondContact O-NE2 2.71Å; K412-Q416 PolarHBondContact O-N 3.29Å; Q416-R418 PolarHBondContact O-N 3.12Å
417	D	95.3	Very high	95.3	Very high	88 Å²	88	50 Å²	50	47%	0.471	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.1	8.3	-177.9	-71.5	-78.4	0	0	0	116	K374 I375 L415	K374-D417 WeakPolarHBondContact CE-O 3.22Å; K374-D417 WeakPolarHBondContact CE-OD1 3.43Å; K374-D417 IonicContact NZ-OD1 3.64Å; K374-D417 PolarHBondContact NZ-OD1 3.2Å; I375-D417 WeakPolarHBondContact O-CA 3.41Å; I375-D417 PolarHBondContact O-N 3.45Å; L415-D417 PolarHBondContact O-N 3.38Å
418	R	96.4	Very high	95.3	Very high	43 Å²	43	51.2 Å²	51.2	16%	0.162	25%	0.25	C	C	.	.			trans	-75.7	142.2	179.3	-178.1	165.5	179.5	171.1	0.3	111.7	I375 E414 L415 Q416 V420 D456	I375-R418 PolarHBondContact N-O 2.91Å; E414-R418 WeakPolarHBondContact O-CD 3.31Å; L415-R418 VanDerWaalsContact O-CB 3.29Å; L415-R418 WeakPolarHBondContact O-CB 3.3Å; L415-R418 PolarHBondContact O-N 3.05Å; L415-R418 VanDerWaalsContact O-N 3.13Å; Q416-R418 PolarHBondContact O-N 3.12Å; R418-V420 HydrophobicContact CG-CG1 4.11Å; R418-D456 IonicContact CZ-OD1 2.67Å; R418-D456 IonicContact NE-OD1 2.74Å; R418-D456 PolarHBondContact NE-OD1 3Å; R418-D456 VanDerWaalsContact NH2-CG 3.34Å; R418-D456 IonicContact NH2-OD1 3.97Å; R418-D456 PolarHBondContact NH2-OD1 3.49Å; R418-D456 IonicContact NH2-OD2 3.5Å; R418-D456 PolarHBondContact NH2-OD2 2.78Å
419	L	97.9	Very high	95.3	Very high	50 Å²	50	50.3 Å²	50.3	26%	0.262	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	132.2	164.8	-65.8	178.9	0	0	0	110.1	V372 G373 K374 P457 S461	V372-L419 HydrophobicContact CG1-CD2 4.12Å; G373-L419 CarbonylContact O-C 3.56Å; G373-L419 VanDerWaalsContact O-CA 3.31Å; G373-L419 WeakPolarHBondContact O-CA 3.26Å; K374-L419 HydrophobicContact CB-CD2 3.83Å; K374-L419 HydrophobicContact CG-CD2 4.23Å; L419-P457 HydrophobicContact CB-CG 3.61Å; L419-P457 HydrophobicContact CD1-CG 4.38Å; L419-S461 VanDerWaalsContact CD1-O 3.27Å; L419-S461 WeakPolarHBondContact CD1-O 3.35Å
420	V	98.1	Very high	95.4	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	170.2	-177.3	-64.5	0	0	0	0	110.6	V372 G373 I375 I392 R418 V422 L440 P454	V372-V420 CarbonylContact C-O 3.56Å; V372-V420 WeakPolarHBondContact CA-O 3.29Å; G373-V420 PolarHBondContact N-O 3.49Å; G373-V420 PolarHBondContact O-N 2.89Å; I375-V420 HydrophobicContact CD1-CG1 3.72Å; I375-V420 HydrophobicContact CD1-CG2 4.19Å; I375-V420 HydrophobicContact CG1-CG1 4.19Å; I375-V420 HydrophobicContact CG1-CG2 3.91Å; I392-V420 HydrophobicContact CD1-CG2 4.34Å; I392-V420 HydrophobicContact CG2-CG2 4.24Å; R418-V420 HydrophobicContact CG-CG1 4.11Å; V420-V422 HydrophobicContact CG2-CG2 3.89Å; V420-L440 HydrophobicContact CB-CD1 4.35Å; V420-L440 HydrophobicContact CB-CG 4.18Å; V420-L440 HydrophobicContact CG1-CD1 4.23Å; V420-L440 HydrophobicContact CG1-CG 4.49Å; V420-L440 HydrophobicContact CG2-CD1 4.24Å; V420-L440 HydrophobicContact CG2-CG 4.24Å; V420-P454 HydrophobicContact CG1-CB 4.32Å
421	V	98.4	Very high	95.2	Very high	2 Å²	2	56.8 Å²	56.8	1%	0.012	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	127	175.4	-177.7	0	0	0	0	109.6	I370 L441 L455 V467 I517	I370-V421 HydrophobicContact CG2-CG1 3.21Å; V421-L441 HydrophobicContact CB-CB 4.5Å; V421-L441 HydrophobicContact CG1-CB 4.45Å; V421-L441 HydrophobicContact CG1-CD1 3.99Å; V421-L441 PolarHBondContact O-N 2.8Å; V421-L455 HydrophobicContact CB-CB 4.04Å; V421-L455 HydrophobicContact CG2-CB 3.84Å; V421-V467 HydrophobicContact CG1-CG1 4.5Å; V421-V467 HydrophobicContact CG1-CG2 4.13Å; V421-I517 HydrophobicContact CG2-CD1 4.11Å; V421-I517 HydrophobicContact CG2-CG2 3.83Å
422	V	98.2	Very high	94.9	Very high	0 Å²	0	63.1 Å²	63.1	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	128.9	-172.5	-171.3	0	0	0	0	111.1	I370 R371 I392 V394 V420 C424 M439	I370-V422 WeakPolarHBondContact CA-O 3.3Å; R371-V422 PolarHBondContact N-O 2.77Å; R371-V422 PolarHBondContact O-N 2.85Å; I392-V422 HydrophobicContact CD1-CG2 4.32Å; I392-V422 HydrophobicContact CG2-CG2 4.06Å; V394-V422 HydrophobicContact CG1-CB 4.21Å; V394-V422 HydrophobicContact CG1-CG1 4.36Å; V394-V422 HydrophobicContact CG1-CG2 4.22Å; V420-V422 HydrophobicContact CG2-CG2 3.89Å; V422-C424 PolarHBondContact O-SG 3.39Å; V422-M439 CarbonylContact C-O 3.57Å; V422-M439 WeakPolarHBondContact CA-O 3.12Å
423	L	97.9	Very high	94.7	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	117.7	167.5	179	62.3	0	0	0	109.8	L368 I370 N425 L426 G438 M439 L441 L481 F488	L368-L423 HydrophobicContact CB-CD1 3.92Å; L368-L423 HydrophobicContact CD2-CD1 4.33Å; I370-L423 HydrophobicContact CG1-CD1 3.88Å; L423-N425 VanDerWaalsContact CD1-OD1 3.29Å; L423-N425 WeakPolarHBondContact CD1-OD1 3.37Å; L423-L426 HydrophobicContact CD2-CD1 3.6Å; L423-L426 HydrophobicContact CD2-CD2 4.1Å; L423-L426 HydrophobicContact CD2-CG 3.61Å; L423-L426 HydrophobicContact CG-CD1 4.12Å; L423-L426 HydrophobicContact CG-CG 3.94Å; L423-G438 WeakPolarHBondContact O-CA 3.36Å; L423-M439 HydrophobicContact CB-CB 4.33Å; L423-M439 PolarHBondContact N-O 2.81Å; L423-M439 PolarHBondContact O-N 3.3Å; L423-L441 HydrophobicContact CB-CD2 4.28Å; L423-L441 HydrophobicContact CB-CG 4.46Å; L423-L481 HydrophobicContact CD1-CD1 4.42Å; L423-F488 HydrophobicContact CD2-CB 4.49Å; L423-F488 HydrophobicContact CD2-CD1 4.34Å; L423-F488 HydrophobicContact CD2-CD2 3.39Å; L423-F488 HydrophobicContact CD2-CE1 4.44Å; L423-F488 HydrophobicContact CD2-CE2 3.52Å; L423-F488 HydrophobicContact CD2-CG 3.83Å; L423-F488 HydrophobicContact CD2-CZ 4.06Å
424	C	97.1	Very high	94.6	Very high	5 Å²	5	56.9 Å²	56.9	3%	0.034	28%	0.282	C	S	.	.			trans	-107	-13.8	-165.3	-63.8	0	0	0	0	114.2	D369 R400 V422	D369-C424 HydrophobicContact CB-CB 4.32Å; D369-C424 WeakPolarHBondContact O-CB 3.44Å; D369-C424 PolarHBondContact O-N 3.29Å; R400-C424 PolarHBondContact NH1-O 2.79Å; V422-C424 PolarHBondContact O-SG 3.39Å
425	N	96.4	Very high	94.7	Very high	3 Å²	3	56.6 Å²	56.6	2%	0.016	28%	0.281	C	S	.	.	S	Bend	trans	-105.6	22.8	-179.1	66.5	-16.5	0	0	0	113.3	R367 D369 L423 D478 E480 L481	R367-N425 PolarHBondContact O-ND2 2.91Å; D369-N425 HydrophobicContact CB-CB 3.62Å; D369-N425 VanDerWaalsContact CB-CG 3.43Å; D369-N425 VanDerWaalsContact N-CG 3.28Å; D369-N425 PolarHBondContact N-ND2 2.96Å; D369-N425 PolarHBondContact N-OD1 2.82Å; L423-N425 VanDerWaalsContact CD1-OD1 3.29Å; L423-N425 WeakPolarHBondContact CD1-OD1 3.37Å; N425-D478 WeakPolarHBondContact CB-O 3.36Å; N425-D478 PolarHBondContact ND2-O 2.79Å; N425-E480 CarbonylContact O-C 3.57Å; N425-L481 HydrophobicContact CB-CG 4.45Å; N425-L481 WeakPolarHBondContact O-CB 3.13Å; N425-L481 WeakPolarHBondContact O-CG 3.44Å; N425-L481 PolarHBondContact O-N 2.89Å; N425-L481 VanDerWaalsContact OD1-CD1 3.31Å; N425-L481 WeakPolarHBondContact OD1-CD1 3.37Å
426	L	93	Very high	94.8	Very high	40 Å²	40	57 Å²	57	21%	0.209	28%	0.284	C	S	.	.	B	Isolated β-bridge	trans	-77.5	147.6	165.7	-73.1	173.5	0	0	0	110.5	L423 M439 L481 F488	L423-L426 HydrophobicContact CD2-CD1 3.6Å; L423-L426 HydrophobicContact CD2-CD2 4.1Å; L423-L426 HydrophobicContact CD2-CG 3.61Å; L423-L426 HydrophobicContact CG-CD1 4.12Å; L423-L426 HydrophobicContact CG-CG 3.94Å; L426-M439 HydrophobicContact CD1-CB 3.74Å; L426-M439 HydrophobicContact CD1-CE 3.74Å; L426-M439 HydrophobicContact CD1-CG 4.48Å; L426-M439 HydrophobicContact CD1-SD 3.89Å; L426-L481 HydrophobicContact CD2-CB 4.48Å; L426-L481 HydrophobicContact CD2-CD1 3.96Å; L426-F488 HydrophobicContact CD2-CB 4.34Å
427	K	93	Very high	94.8	Very high	126 Å²	126	57.3 Å²	57.3	55%	0.548	29%	0.285	S	S	.	.	P	Polyproline II helix	trans	-60.6	130.2	170.1	-174.7	-179.8	-179.6	-178.7	0	109.7	E480 P483	K427-E480 HydrophobicContact CB-CG 4.49Å; K427-P483 HydrophobicContact CB-CG 4.11Å; K427-P483 HydrophobicContact CD-CG 4.09Å
428	P	94.5	Very high	94.9	Very high	54 Å²	54	53.7 Å²	53.7	35%	0.351	27%	0.268	S	S	.	.	P	Polyproline II helix	trans	-55.1	140.7	177.5	-27.7	35.1	0	0	0	112.9	E435 S436 Q437	P428-E435 HydrophobicContact CB-CG 3.92Å; P428-S436 VanDerWaalsContact CA-O 3.24Å; P428-S436 WeakPolarHBondContact CA-O 3.47Å; P428-Q437 HydrophobicContact CB-CG 4.4Å
429	Q	92.5	Very high	94.9	Very high	135 Å²	135	54.5 Å²	54.5	63%	0.631	28%	0.275	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.9	132.5	-177.1	-174.2	174.5	-31	0	0	111.1	S436	Q429-S436 PolarHBondContact N-O 3.18Å; Q429-S436 PolarHBondContact O-N 3.24Å
430	K	93.7	Very high	94.9	Very high	146 Å²	146	52.7 Å²	52.7	64%	0.635	27%	0.265	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.9	126	172.9	-67.4	-171.2	178.3	-172.5	0	110.8	V434 E435	K430-V434 CarbonylContact C-O 3.48Å; K430-V434 WeakPolarHBondContact CA-O 3.5Å; K430-E435 HydrophobicContact CG-CB 4.27Å
431	M	89	Confident	94.8	Very high	59 Å²	59	52.9 Å²	52.9	29%	0.291	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	108.7	173.8	-65.8	-179.1	69.1	0	0	107.3	H381 L387 V403 G433 V434	H381-M431 PolarHBondContact NE2-O 2.85Å; L387-M431 HydrophobicContact CD1-CB 4.41Å; L387-M431 HydrophobicContact CD1-CE 4.1Å; L387-M431 HydrophobicContact CD2-CE 3.95Å; V403-M431 HydrophobicContact CB-CB 4.31Å; V403-M431 HydrophobicContact CB-SD 3.88Å; V403-M431 HydrophobicContact CG1-CB 3.93Å; V403-M431 HydrophobicContact CG1-CE 4.17Å; V403-M431 HydrophobicContact CG1-SD 3.96Å; M431-G433 PolarHBondContact O-N 3.42Å; M431-G433 VanDerWaalsContact O-N 3.08Å; M431-V434 PolarHBondContact N-O 3.43Å; M431-V434 PolarHBondContact O-N 2.8Å; M431-V434 VanDerWaalsContact O-N 3.11Å
432	R	89.8	Confident	94.8	Very high	190 Å²	190	53 Å²	53	72%	0.717	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.5	37.4	-179.6	-61	-68	-177	-161.5	0.4	114	H381 A384 L387	H381-R432 PolarHBondContact CE1-O 2.81Å; A384-R432 HydrophobicContact CB-CG 4.21Å; L387-R432 HydrophobicContact CD1-CG 4.47Å
433	G	87.9	Confident	94.7	Very high	63 Å²	63	53 Å²	53	65%	0.649	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	98.8	-23	175.5	0	0	0	0	0	114.6	M431	M431-G433 PolarHBondContact O-N 3.42Å; M431-G433 VanDerWaalsContact O-N 3.08Å
434	V	92.9	Very high	94.5	Very high	36 Å²	36	53.1 Å²	53.1	22%	0.218	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	132.4	176	-177.9	0	0	0	0	109.9	H381 V389 T401 V403 K430 M431	H381-V434 VanDerWaalsContact NE2-CG2 3.29Å; H381-V434 WeakPolarHBondContact NE2-CG2 3.39Å; V389-V434 HydrophobicContact CG1-CG1 4.16Å; V389-V434 HydrophobicContact CG2-CG1 4.32Å; T401-V434 HydrophobicContact CG2-CG1 4Å; V403-V434 HydrophobicContact CG2-CB 4.14Å; V403-V434 HydrophobicContact CG2-CG1 3.72Å; K430-V434 CarbonylContact C-O 3.48Å; K430-V434 WeakPolarHBondContact CA-O 3.5Å; M431-V434 PolarHBondContact N-O 3.43Å; M431-V434 PolarHBondContact O-N 2.8Å; M431-V434 VanDerWaalsContact O-N 3.11Å
435	E	96.2	Very high	94.3	Very high	84 Å²	84	55.6 Å²	55.6	39%	0.393	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	119.2	178.1	-173	174.9	98.2	0	0	110.9	P428 K430 Q437	P428-E435 HydrophobicContact CB-CG 3.92Å; K430-E435 HydrophobicContact CG-CB 4.27Å; E435-Q437 HydrophobicContact CG-CG 4.4Å; E435-Q437 PolarHBondContact OE1-NE2 3.05Å
436	S	96.8	Very high	93.6	Very high	9 Å²	9	61.1 Å²	61.1	6%	0.063	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	125.9	170.8	-167.7	0	0	0	0	110	V403 P428 Q429 G438	V403-S436 PolarHBondContact N-OG 2.88Å; P428-S436 VanDerWaalsContact CA-O 3.24Å; P428-S436 WeakPolarHBondContact CA-O 3.47Å; Q429-S436 PolarHBondContact N-O 3.18Å; Q429-S436 PolarHBondContact O-N 3.24Å; S436-G438 PolarHBondContact OG-O 3.31Å
437	Q	96.3	Very high	92.8	Very high	71 Å²	71	61.8 Å²	61.8	33%	0.332	32%	0.323	S	S	.	.			trans	-107.6	18.6	-176.8	-61.7	-176.8	-34.8	0	0	112.5	R400 T401 P428 E435	R400-Q437 HydrophobicContact CB-CB 4.42Å; R400-Q437 WeakPolarHBondContact CD-O 3.32Å; R400-Q437 PolarHBondContact NH1-O 3.01Å; T401-Q437 PolarHBondContact O-N 3.13Å; P428-Q437 HydrophobicContact CB-CG 4.4Å; E435-Q437 HydrophobicContact CG-CG 4.4Å; E435-Q437 PolarHBondContact OE1-NE2 3.05Å
438	G	96.1	Very high	91.6	Very high	11 Å²	11	64.2 Å²	64.2	11%	0.113	34%	0.34	C	S	.	.	S	Bend	trans	-174.2	178.4	177.1	0	0	0	0	0	111.3	L423 S436	L423-G438 WeakPolarHBondContact O-CA 3.36Å; S436-G438 PolarHBondContact OG-O 3.31Å
439	M	97.1	Very high	90.9	Very high	61 Å²	61	67.9 Å²	67.9	30%	0.3	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	119.8	175.2	175.6	-179	-78	0	0	109.1	V422 L423 L426 L441 F488	V422-M439 CarbonylContact C-O 3.57Å; V422-M439 WeakPolarHBondContact CA-O 3.12Å; L423-M439 HydrophobicContact CB-CB 4.33Å; L423-M439 PolarHBondContact N-O 2.81Å; L423-M439 PolarHBondContact O-N 3.3Å; L426-M439 HydrophobicContact CD1-CB 3.74Å; L426-M439 HydrophobicContact CD1-CE 3.74Å; L426-M439 HydrophobicContact CD1-CG 4.48Å; L426-M439 HydrophobicContact CD1-SD 3.89Å; M439-L441 HydrophobicContact CG-CD2 4.27Å; M439-L441 PolarHBondContact O-N 2.83Å; M439-L441 HydrophobicContact SD-CD2 4.28Å; M439-F488 HydrophobicContact CE-CE1 4.37Å; M439-F488 HydrophobicContact SD-CE1 3.72Å; M439-F488 HydrophobicContact SD-CZ 3.77Å
440	L	97.4	Very high	90.7	Very high	11 Å²	11	67.3 Å²	67.3	6%	0.058	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	118.8	172	-168.7	166.9	0	0	0	107.8	I375 I392 V402 L406 V420 C442 P454	I375-L440 HydrophobicContact CD1-CD1 4.07Å; I392-L440 HydrophobicContact CD1-CD1 4.26Å; V402-L440 HydrophobicContact CG1-CB 4.33Å; L406-L440 HydrophobicContact CD1-CD1 4.11Å; L406-L440 HydrophobicContact CD1-CD2 4.15Å; V420-L440 HydrophobicContact CB-CD1 4.35Å; V420-L440 HydrophobicContact CB-CG 4.18Å; V420-L440 HydrophobicContact CG1-CD1 4.23Å; V420-L440 HydrophobicContact CG1-CG 4.49Å; V420-L440 HydrophobicContact CG2-CD1 4.24Å; V420-L440 HydrophobicContact CG2-CG 4.24Å; L440-C442 WeakPolarHBondContact CD2-SG 3.32Å; L440-P454 HydrophobicContact CD2-CB 4.17Å
441	L	97.8	Very high	90.6	Very high	4 Å²	4	65.2 Å²	65.2	2%	0.021	34%	0.341	C	S	.	.			trans	-82.1	127.2	-177.4	-62.7	-176.8	0	0	0	110.7	I370 V421 L423 M439 L455 F488 I527	I370-L441 HydrophobicContact CD1-CD1 4.18Å; I370-L441 HydrophobicContact CG1-CD1 4.45Å; I370-L441 HydrophobicContact CG2-CD1 3.96Å; V421-L441 HydrophobicContact CB-CB 4.5Å; V421-L441 HydrophobicContact CG1-CB 4.45Å; V421-L441 HydrophobicContact CG1-CD1 3.99Å; V421-L441 PolarHBondContact O-N 2.8Å; L423-L441 HydrophobicContact CB-CD2 4.28Å; L423-L441 HydrophobicContact CB-CG 4.46Å; M439-L441 HydrophobicContact CG-CD2 4.27Å; M439-L441 PolarHBondContact O-N 2.83Å; M439-L441 HydrophobicContact SD-CD2 4.28Å; L441-L455 HydrophobicContact CB-CD1 3.91Å; L441-L455 HydrophobicContact CB-CG 4.46Å; L441-L455 WeakPolarHBondContact O-CG 2.98Å; L441-L455 PolarHBondContact O-N 3.46Å; L441-L455 VanDerWaalsContact O-N 3.13Å; L441-F488 HydrophobicContact CD2-CE2 4.29Å; L441-F488 HydrophobicContact CD2-CZ 4.17Å; L441-I527 HydrophobicContact CB-CG2 4.14Å
442	C	97.2	Very high	90.9	Very high	5 Å²	5	63.3 Å²	63.3	3%	0.034	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	145.8	179.2	-67.2	0	0	0	0	111.7	L440 V452 E453 I527 S528	L440-C442 WeakPolarHBondContact CD2-SG 3.32Å; C442-V452 HydrophobicContact CB-CG1 3.52Å; C442-E453 CarbonylContact C-O 3.5Å; C442-E453 VanDerWaalsContact CA-O 3.28Å; C442-E453 WeakPolarHBondContact CA-O 2.94Å; C442-E453 WeakPolarHBondContact CB-O 3.39Å; C442-I527 CarbonylContact O-C 3.59Å; C442-I527 VanDerWaalsContact O-CA 3.27Å; C442-I527 WeakPolarHBondContact O-CA 3.27Å; C442-S528 PolarHBondContact N-O 2.83Å; C442-S528 PolarHBondContact O-N 3.28Å
443	A	96.6	Very high	91.2	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	138.9	160.4	0	0	0	0	0	109.4	V452 E453 L455 I497 C519 L522 N526	A443-V452 VanDerWaalsContact O-CA 3.3Å; A443-V452 WeakPolarHBondContact O-CA 3.26Å; A443-E453 HydrophobicContact CB-CG 4.19Å; A443-E453 PolarHBondContact N-O 3.24Å; A443-E453 PolarHBondContact O-N 3.13Å; A443-L455 HydrophobicContact CB-CD2 4.1Å; A443-I497 HydrophobicContact CB-CD1 3.75Å; A443-I497 HydrophobicContact CB-CG1 3.65Å; A443-C519 HydrophobicContact CB-CB 3.81Å; A443-L522 HydrophobicContact CB-CB 4.38Å; A443-L522 HydrophobicContact CB-CD1 3.9Å; A443-N526 CarbonylContact C-O 3.42Å; A443-N526 WeakPolarHBondContact CA-O 3.09Å
444	S	94.1	Very high	91.6	Very high	2 Å²	2	52.1 Å²	52.1	1%	0.014	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	143.5	176.6	58.8	0	0	0	0	113.4	Q451 G525 N526	S444-Q451 VanDerWaalsContact CA-O 3.24Å; S444-Q451 WeakPolarHBondContact CA-O 3.48Å; S444-G525 CarbonylContact O-C 3.59Å; S444-G525 WeakPolarHBondContact O-CA 3.14Å; S444-N526 PolarHBondContact N-O 2.88Å; S444-N526 PolarHBondContact O-N 2.84Å
445	I	91.4	Very high	91.8	Very high	58 Å²	58	50.6 Å²	50.6	30%	0.297	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	124	169.2	-61.7	-178.5	0	0	0	108.2	Q451 L522 K523	I445-Q451 PolarHBondContact N-O 3.4Å; I445-Q451 PolarHBondContact O-N 2.91Å; I445-L522 HydrophobicContact CD1-CB 4.27Å; I445-L522 HydrophobicContact CD1-CD2 3.76Å; I445-L522 HydrophobicContact CD1-CG 4.46Å; I445-L522 HydrophobicContact CG1-CD1 4.34Å; I445-L522 HydrophobicContact CG1-CD2 4.11Å; I445-K523 VanDerWaalsContact CD1-O 3.28Å; I445-K523 WeakPolarHBondContact CD1-O 3.17Å
446	E	82.6	Confident	91.9	Very high	119 Å²	119	48.3 Å²	48.3	56%	0.556	25%	0.253	S	S	*	.			trans	-81.9	141.9	175.8	-64.2	-63.8	159.4	0	0	110.4	R450	E446-R450 IonicContact OE1-NE 3.47Å
447	G	75.4	Confident	91.9	Very high	54 Å²	54	48.6 Å²	48.6	56%	0.557	25%	0.254	S	S	*	.	S	Bend	trans	161.5	-172.8	-178.6	0	0	0	0	0	113.1	N449	G447-N449 PolarHBondContact O-N 2.93Å
448	I	69.1	Low	91.9	Very high	176 Å²	176	46.1 Å²	46.1	90%	0.903	25%	0.245	S	C	*	.	S	Bend	trans	-56.6	-35.1	179.1	-63.9	173.3	0	0	0	111.1
449	N	79.3	Confident	91.6	Very high	132 Å²	132	50.6 Å²	50.6	71%	0.706	28%	0.28	S	S	*	.	S	Bend	trans	-118	88.5	172.2	-66.5	-24	0	0	0	108.8	G447 Q451	G447-N449 PolarHBondContact O-N 2.93Å; N449-Q451 PolarHBondContact O-N 3.38Å
450	R	88.9	Confident	91.3	Very high	123 Å²	123	51 Å²	51	46%	0.464	30%	0.3	S	S	.	.			trans	-58.7	127.8	175.9	-176.7	176.5	-177.7	-164.9	-0.6	109.8	F409 E446 V452	F409-R450 HydrophobicContact CE1-CB 4.34Å; F409-R450 HydrophobicContact CE1-CG 4.17Å; F409-R450 WeakPolarHBondContact CE1-O 3.27Å; F409-R450 HydrophobicContact CZ-CG 4.28Å; E446-R450 IonicContact OE1-NE 3.47Å; R450-V452 HydrophobicContact CG-CG2 4.23Å
451	Q	91.8	Very high	91.2	Very high	102 Å²	102	50.9 Å²	50.9	48%	0.477	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	138.4	176.6	-61.8	178.4	24.7	0	0	109.2	S444 I445 N449 L522	S444-Q451 VanDerWaalsContact CA-O 3.24Å; S444-Q451 WeakPolarHBondContact CA-O 3.48Å; I445-Q451 PolarHBondContact N-O 3.4Å; I445-Q451 PolarHBondContact O-N 2.91Å; N449-Q451 PolarHBondContact O-N 3.38Å; Q451-L522 HydrophobicContact CB-CD1 4.4Å; Q451-L522 HydrophobicContact CB-CD2 3.76Å
452	V	94.7	Very high	91	Very high	19 Å²	19	53.2 Å²	53.2	12%	0.115	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	131	179.5	-174.5	0	0	0	0	108.8	L406 F409 C442 A443 R450	L406-V452 HydrophobicContact CD2-CG1 3.72Å; F409-V452 HydrophobicContact CB-CB 3.96Å; F409-V452 HydrophobicContact CD1-CB 4Å; F409-V452 HydrophobicContact CD1-CG2 3.91Å; F409-V452 HydrophobicContact CD2-CB 3.99Å; F409-V452 HydrophobicContact CD2-CG2 3.96Å; F409-V452 HydrophobicContact CE1-CG2 3.94Å; F409-V452 HydrophobicContact CE2-CG2 3.99Å; F409-V452 HydrophobicContact CG-CB 3.71Å; F409-V452 HydrophobicContact CG-CG2 3.93Å; F409-V452 HydrophobicContact CZ-CG2 3.98Å; C442-V452 HydrophobicContact CB-CG1 3.52Å; A443-V452 VanDerWaalsContact O-CA 3.3Å; A443-V452 WeakPolarHBondContact O-CA 3.26Å; R450-V452 HydrophobicContact CG-CG2 4.23Å
453	E	95.1	Very high	91	Very high	17 Å²	17	55.1 Å²	55.1	8%	0.079	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	139.1	173.5	40.1	173.8	-143.5	0	0	110.8	C442 A443 C519 K520 S521 L522	C442-E453 CarbonylContact C-O 3.5Å; C442-E453 VanDerWaalsContact CA-O 3.28Å; C442-E453 WeakPolarHBondContact CA-O 2.94Å; C442-E453 WeakPolarHBondContact CB-O 3.39Å; A443-E453 HydrophobicContact CB-CG 4.19Å; A443-E453 PolarHBondContact N-O 3.24Å; A443-E453 PolarHBondContact O-N 3.13Å; E453-C519 HydrophobicContact CG-CB 4.3Å; E453-C519 WeakPolarHBondContact OE1-CB 3.47Å; E453-C519 PolarHBondContact OE1-SG 3.07Å; E453-K520 PolarHBondContact OE1-N 3.37Å; E453-K520 WeakPolarHBondContact OE2-CB 3.46Å; E453-S521 PolarHBondContact OE1-N 3.12Å; E453-S521 PolarHBondContact OE2-N 3.21Å; E453-S521 VanDerWaalsContact OE2-N 3.08Å; E453-S521 PolarHBondContact OE2-OG 3.24Å; E453-L522 VanDerWaalsContact CD-CG 3.46Å; E453-L522 HydrophobicContact CG-CB 4.36Å; E453-L522 HydrophobicContact CG-CD1 3.46Å; E453-L522 VanDerWaalsContact CG-CD1 3.46Å; E453-L522 HydrophobicContact CG-CG 3.59Å; E453-L522 VanDerWaalsContact OE1-CB 3.31Å; E453-L522 WeakPolarHBondContact OE1-CB 3.41Å; E453-L522 VanDerWaalsContact OE1-CG 3.31Å; E453-L522 WeakPolarHBondContact OE1-CG 3.29Å; E453-L522 PolarHBondContact OE1-N 2.71Å
454	P	97.3	Very high	90.9	Very high	1 Å²	1	56.4 Å²	56.4	1%	0.006	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.7	144.5	173.4	-27.1	35.1	0	0	0	112.1	L406 V410 L415 V420 L440	L406-P454 HydrophobicContact CD1-CG 4.3Å; V410-P454 HydrophobicContact CG2-CG 4.18Å; L415-P454 HydrophobicContact CD2-CG 3.86Å; V420-P454 HydrophobicContact CG1-CB 4.32Å; L440-P454 HydrophobicContact CD2-CB 4.17Å
455	L	97.8	Very high	91	Very high	3 Å²	3	58.1 Å²	58.1	2%	0.016	35%	0.354	C	S	.	.			trans	-72.2	137.6	167.8	-64.2	-175	0	0	0	110.6	V421 L441 A443 I497 A503 I517 S518 C519 I527	V421-L455 HydrophobicContact CB-CB 4.04Å; V421-L455 HydrophobicContact CG2-CB 3.84Å; L441-L455 HydrophobicContact CB-CD1 3.91Å; L441-L455 HydrophobicContact CB-CG 4.46Å; L441-L455 WeakPolarHBondContact O-CG 2.98Å; L441-L455 PolarHBondContact O-N 3.46Å; L441-L455 VanDerWaalsContact O-N 3.13Å; A443-L455 HydrophobicContact CB-CD2 4.1Å; L455-I497 HydrophobicContact CD2-CD1 3.96Å; L455-A503 HydrophobicContact CD1-CB 4.17Å; L455-A503 HydrophobicContact CD2-CB 4.26Å; L455-I517 HydrophobicContact CB-CG2 3.79Å; L455-I517 HydrophobicContact CD1-CG2 4.03Å; L455-I517 HydrophobicContact CG-CG2 4.37Å; L455-S518 CarbonylContact C-O 3.58Å; L455-S518 WeakPolarHBondContact CA-O 3.31Å; L455-C519 HydrophobicContact CD2-CB 4.03Å; L455-I527 HydrophobicContact CD1-CD1 4.3Å; L455-I527 HydrophobicContact CD1-CG2 3.76Å; L455-I527 HydrophobicContact CG-CG2 4.49Å
456	D	96.8	Very high	91.2	Very high	36 Å²	36	58.8 Å²	58.8	19%	0.193	35%	0.352	C	S	.	.	B	Isolated β-bridge	trans	-104.8	119.9	-178.1	-66.3	-51.5	0	0	0	110.2	R418 S518	R418-D456 IonicContact CZ-OD1 2.67Å; R418-D456 IonicContact NE-OD1 2.74Å; R418-D456 PolarHBondContact NE-OD1 3Å; R418-D456 VanDerWaalsContact NH2-CG 3.34Å; R418-D456 IonicContact NH2-OD1 3.97Å; R418-D456 PolarHBondContact NH2-OD1 3.49Å; R418-D456 IonicContact NH2-OD2 3.5Å; R418-D456 PolarHBondContact NH2-OD2 2.78Å; D456-S518 PolarHBondContact N-O 3.43Å; D456-S518 PolarHBondContact O-N 3.27Å
457	P	97.4	Very high	91.9	Very high	15 Å²	15	53.3 Å²	53.3	10%	0.097	33%	0.327	C	S	.	.	P	Polyproline II helix	trans	-72.3	157.9	168.7	31.2	-32.6	0	0	0	111.1	V372 L419 I517	V372-P457 HydrophobicContact CG1-CB 4.3Å; V372-P457 HydrophobicContact CG1-CG 3.96Å; V372-P457 HydrophobicContact CG2-CB 3.76Å; V372-P457 HydrophobicContact CG2-CG 4.31Å; L419-P457 HydrophobicContact CB-CG 3.61Å; L419-P457 HydrophobicContact CD1-CG 4.38Å; P457-I517 HydrophobicContact CB-CD1 4.02Å
458	P	95.3	Very high	92.9	Very high	20 Å²	20	52.1 Å²	52.1	13%	0.13	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-60.9	151.7	179.1	27.2	-36.6	0	0	0	111.9	G460 S461 T512 L514	P458-G460 PolarHBondContact O-N 3Å; P458-S461 WeakPolarHBondContact O-CB 3.31Å; P458-S461 PolarHBondContact O-N 3.46Å; P458-S461 VanDerWaalsContact O-N 3.16Å; P458-T512 HydrophobicContact CG-CG2 4.25Å; P458-T512 WeakPolarHBondContact CG-OG1 3.2Å; P458-L514 HydrophobicContact CB-CB 4.26Å; P458-L514 HydrophobicContact CG-CB 3.86Å
459	A	91.6	Very high	94.1	Very high	104 Å²	104	43.9 Å²	43.9	86%	0.86	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	132.5	178.7	0	0	0	0	0	111.3
460	G	89.8	Confident	94.7	Very high	69 Å²	69	43.6 Å²	43.6	71%	0.711	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.5	-3	-178	0	0	0	0	0	115.2	P458 L514	P458-G460 PolarHBondContact O-N 3Å; G460-L514 WeakPolarHBondContact O-CD1 3.29Å
461	S	95.3	Very high	94.6	Very high	9 Å²	9	40.3 Å²	40.3	6%	0.063	26%	0.261	C	S	.	.			trans	-64.4	147.8	172.6	-88.6	0	0	0	0	112.5	L419 P458 E465 T512	L419-S461 VanDerWaalsContact CD1-O 3.27Å; L419-S461 WeakPolarHBondContact CD1-O 3.35Å; P458-S461 WeakPolarHBondContact O-CB 3.31Å; P458-S461 PolarHBondContact O-N 3.46Å; P458-S461 VanDerWaalsContact O-N 3.16Å; S461-E465 WeakPolarHBondContact CA-OE2 3.29Å; S461-E465 VanDerWaalsContact CB-OE2 3.27Å; S461-E465 WeakPolarHBondContact CB-OE2 3.27Å; S461-E465 PolarHBondContact OG-OE2 3.16Å; S461-T512 PolarHBondContact OG-OG1 2.87Å
462	A	93.8	Very high	94.6	Very high	53 Å²	53	38.5 Å²	38.5	44%	0.438	25%	0.25	S	S	.	.			trans	-114.6	152.2	-177.5	0	0	0	0	0	111.9	V372 G464 E465	V372-A462 WeakPolarHBondContact CB-O 3.33Å; A462-G464 PolarHBondContact O-N 3.33Å; A462-E465 WeakPolarHBondContact O-CB 3.43Å; A462-E465 PolarHBondContact O-N 2.72Å
463	P	97.1	Very high	94.2	Very high	45 Å²	45	41.6 Å²	41.6	29%	0.292	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.3	134.7	171.6	-29.2	37.6	0	0	0	112.8	K374 D393 E465	K374-P463 HydrophobicContact CB-CG 3.74Å; D393-P463 HydrophobicContact CB-CB 4.45Å; P463-E465 VanDerWaalsContact C-N 3.27Å; P463-E465 PolarHBondContact O-N 2.81Å
464	G	95	Very high	93.6	Very high	28 Å²	28	50.1 Å²	50.1	29%	0.289	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.8	-4.2	-176.7	0	0	0	0	0	115.4	V372 V394 A462 R466	V372-G464 PolarHBondContact O-N 3.03Å; V394-G464 VanDerWaalsContact C-CA 3.44Å; V394-G464 WeakPolarHBondContact O-CA 3.07Å; A462-G464 PolarHBondContact O-N 3.33Å; G464-R466 PolarHBondContact O-N 2.99Å
465	E	96.3	Very high	92.9	Very high	38 Å²	38	51.2 Å²	51.2	18%	0.178	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-61.1	131.7	172.8	-172.5	175.7	-172.8	0	0	110.3	R371 V372 S461 A462 P463 T512 K513	R371-E465 CarbonylContact C-O 3.54Å; R371-E465 VanDerWaalsContact CA-O 3.3Å; R371-E465 WeakPolarHBondContact CA-O 3.31Å; V372-E465 HydrophobicContact CB-CB 4.24Å; V372-E465 HydrophobicContact CG2-CB 4.14Å; V372-E465 PolarHBondContact N-O 3.13Å; S461-E465 WeakPolarHBondContact CA-OE2 3.29Å; S461-E465 VanDerWaalsContact CB-OE2 3.27Å; S461-E465 WeakPolarHBondContact CB-OE2 3.27Å; S461-E465 PolarHBondContact OG-OE2 3.16Å; A462-E465 WeakPolarHBondContact O-CB 3.43Å; A462-E465 PolarHBondContact O-N 2.72Å; P463-E465 VanDerWaalsContact C-N 3.27Å; P463-E465 PolarHBondContact O-N 2.81Å; E465-T512 HydrophobicContact CG-CG2 4.48Å; E465-T512 WeakPolarHBondContact OE1-CB 3.38Å; E465-K513 PolarHBondContact OE1-N 2.81Å
466	R	95.6	Very high	92.3	Very high	71 Å²	71	59 Å²	59	27%	0.268	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	131	-178.6	-173.6	176.8	-177.5	-170.9	2.4	111.5	S366 G464 G475	S366-R466 PolarHBondContact O-NH2 3.28Å; G464-R466 PolarHBondContact O-N 2.99Å; R466-G475 PolarHBondContact NH1-O 2.52Å; R466-G475 PolarHBondContact NH2-O 2.88Å
467	V	97.3	Very high	92.1	Very high	4 Å²	4	59.5 Å²	59.5	2%	0.024	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	132.4	167.7	-178.4	0	0	0	0	108.8	I370 V372 V421 F510 M511 T512 I517	I370-V467 HydrophobicContact CB-CB 4.02Å; I370-V467 HydrophobicContact CG2-CB 3.69Å; I370-V467 HydrophobicContact CG2-CG1 4.06Å; I370-V467 HydrophobicContact CG2-CG2 4.18Å; I370-V467 PolarHBondContact O-N 3.08Å; V372-V467 HydrophobicContact CG2-CG2 3.97Å; V421-V467 HydrophobicContact CG1-CG1 4.5Å; V421-V467 HydrophobicContact CG1-CG2 4.13Å; V467-F510 HydrophobicContact CG1-CB 4.21Å; V467-F510 HydrophobicContact CG1-CD1 4.1Å; V467-M511 WeakPolarHBondContact CA-O 3.46Å; V467-T512 HydrophobicContact CG2-CG2 4.1Å; V467-I517 HydrophobicContact CG1-CD1 4.03Å; V467-I517 HydrophobicContact CG1-CG1 3.59Å; V467-I517 HydrophobicContact CG2-CD1 4.03Å
468	F	95.4	Very high	91.7	Very high	30 Å²	30	60.7 Å²	60.7	13%	0.132	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	159.5	-179.1	54.9	-94.9	0	0	0	110.8	E473 F510 M511	F468-E473 HydrophobicContact CD2-CB 4.18Å; F468-E473 HydrophobicContact CD2-CG 3.52Å; F468-E473 HydrophobicContact CE2-CB 4.21Å; F468-E473 HydrophobicContact CE2-CG 3.29Å; F468-E473 HydrophobicContact CG-CG 4.33Å; F468-E473 HydrophobicContact CZ-CG 3.96Å; F468-F510 CarbonylContact O-C 3.55Å; F468-F510 WeakPolarHBondContact O-CA 3.24Å; F468-M511 HydrophobicContact CD2-CG 3.83Å; F468-M511 HydrophobicContact CE2-CG 3.3Å; F468-M511 HydrophobicContact CE2-SD 3.9Å; F468-M511 HydrophobicContact CZ-CG 3.84Å; F468-M511 PolarHBondContact N-O 3.3Å; F468-M511 PolarHBondContact O-N 2.9Å
469	V	95.7	Very high	91.4	Very high	2 Å²	2	69.4 Å²	69.4	1%	0.012	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	134.6	169.6	178.3	0	0	0	0	108.5	P365 G471 Y472 W505 T508 N509 F510	P365-V469 HydrophobicContact CB-CB 3.99Å; P365-V469 HydrophobicContact CB-CG2 3.48Å; P365-V469 VanDerWaalsContact CB-CG2 3.48Å; P365-V469 HydrophobicContact CG-CB 3.67Å; P365-V469 HydrophobicContact CG-CG1 4.19Å; P365-V469 HydrophobicContact CG-CG2 3.71Å; V469-G471 PolarHBondContact O-N 3.37Å; V469-Y472 HydrophobicContact CB-CD2 4.23Å; V469-Y472 HydrophobicContact CG1-CD2 4.13Å; V469-Y472 WeakPolarHBondContact O-CA 3.42Å; V469-Y472 WeakPolarHBondContact O-CB 3.43Å; V469-Y472 PolarHBondContact O-N 2.69Å; V469-W505 HydrophobicContact CG1-CB 4.43Å; V469-W505 HydrophobicContact CG1-CE3 4.21Å; V469-W505 HydrophobicContact CG2-CB 4.03Å; V469-T508 HydrophobicContact CG1-CG2 3.51Å; V469-N509 WeakPolarHBondContact CA-O 3.41Å; V469-F510 HydrophobicContact CG2-CD1 3.71Å; V469-F510 HydrophobicContact CG2-CD2 4.35Å; V469-F510 HydrophobicContact CG2-CE1 3.48Å; V469-F510 VanDerWaalsContact CG2-CE1 3.48Å; V469-F510 HydrophobicContact CG2-CE2 4.17Å; V469-F510 HydrophobicContact CG2-CG 4.14Å; V469-F510 HydrophobicContact CG2-CZ 3.73Å
470	K	90.6	Very high	91.5	Very high	127 Å²	127	68.9 Å²	68.9	55%	0.552	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.1	132.7	178.5	-173.6	178.1	178.5	179.9	0	111.1	Y472 T508 N509 M511	K470-Y472 VanDerWaalsContact C-N 3.33Å; K470-T508 HydrophobicContact CB-CG2 3.75Å; K470-T508 WeakPolarHBondContact O-CG2 3.43Å; K470-N509 PolarHBondContact N-O 2.91Å; K470-M511 HydrophobicContact CB-SD 3.79Å; K470-M511 HydrophobicContact CD-SD 4.31Å; K470-M511 HydrophobicContact CG-SD 4.01Å
471	G	87.9	Confident	91.5	Very high	54 Å²	54	66 Å²	66	56%	0.557	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.3	-5.8	-172.7	0	0	0	0	0	115.3	V469 E473	V469-G471 PolarHBondContact O-N 3.37Å; G471-E473 WeakPolarHBondContact CA-OE2 3.41Å; G471-E473 VanDerWaalsContact N-CD 3.3Å; G471-E473 PolarHBondContact N-OE1 3.28Å; G471-E473 PolarHBondContact N-OE2 2.87Å
472	Y	90.5	Very high	91	Very high	63 Å²	63	71.8 Å²	71.8	25%	0.247	37%	0.37	C	S	.	.			trans	-119.8	22.8	178	-65.7	-89.1	0	0	0	112.9	I364 P365 V469 K470 K474 G475 W505	I364-Y472 HydrophobicContact CB-CD1 4.03Å; I364-Y472 HydrophobicContact CB-CE1 3.66Å; I364-Y472 HydrophobicContact CD1-CD1 4.25Å; I364-Y472 HydrophobicContact CD1-CE1 4.27Å; I364-Y472 HydrophobicContact CG2-CD1 4.48Å; I364-Y472 HydrophobicContact CG2-CE1 3.65Å; P365-Y472 HydrophobicContact CG-CD1 4.18Å; P365-Y472 HydrophobicContact CG-CD2 3.74Å; P365-Y472 HydrophobicContact CG-CE2 4.11Å; P365-Y472 HydrophobicContact CG-CG 3.77Å; V469-Y472 HydrophobicContact CB-CD2 4.23Å; V469-Y472 HydrophobicContact CG1-CD2 4.13Å; V469-Y472 WeakPolarHBondContact O-CA 3.42Å; V469-Y472 WeakPolarHBondContact O-CB 3.43Å; V469-Y472 PolarHBondContact O-N 2.69Å; K470-Y472 VanDerWaalsContact C-N 3.33Å; Y472-K474 PolarHBondContact O-N 3.13Å; Y472-G475 PolarHBondContact O-N 2.86Å; Y472-W505 HydrophobicContact CE2-CE3 4.36Å; Y472-W505 AromaticContact CE2-CZ3 3.69Å; Y472-W505 HydrophobicContact CE2-CZ3 3.69Å; Y472-W505 AromaticContact CZ-CZ3 3.81Å
473	E	86.4	Confident	90.3	Very high	84 Å²	84	72.9 Å²	72.9	39%	0.393	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-32.9	-171.8	-54.9	86.3	176.6	0	0	113	F468 G471	F468-E473 HydrophobicContact CD2-CB 4.18Å; F468-E473 HydrophobicContact CD2-CG 3.52Å; F468-E473 HydrophobicContact CE2-CB 4.21Å; F468-E473 HydrophobicContact CE2-CG 3.29Å; F468-E473 HydrophobicContact CG-CG 4.33Å; F468-E473 HydrophobicContact CZ-CG 3.96Å; G471-E473 WeakPolarHBondContact CA-OE2 3.41Å; G471-E473 VanDerWaalsContact N-CD 3.3Å; G471-E473 PolarHBondContact N-OE1 3.28Å; G471-E473 PolarHBondContact N-OE2 2.87Å
474	K	82.9	Confident	89.3	Confident	197 Å²	197	78.9 Å²	78.9	86%	0.857	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.8	-9.4	-171.6	-63.3	-176	-178.9	177.7	0	114.3	Y472	Y472-K474 PolarHBondContact O-N 3.13Å
475	G	82.4	Confident	88.7	Confident	23 Å²	23	81.3 Å²	81.3	24%	0.237	40%	0.396	C	S	.	.			trans	-69.7	163.5	-179.5	0	0	0	0	0	111.5	R466 Y472	R466-G475 PolarHBondContact NH1-O 2.52Å; R466-G475 PolarHBondContact NH2-O 2.88Å; Y472-G475 PolarHBondContact O-N 2.86Å
476	Q	85.4	Confident	88.3	Confident	168 Å²	168	85.5 Å²	85.5	79%	0.785	41%	0.414	S	S	*	.			trans	-110.1	137.1	178.3	-72.4	-178.8	-9.9	0	0	110.2	S366	S366-Q476 CarbonylContact O-C 3.5Å; S366-Q476 VanDerWaalsContact O-C 3.25Å
477	P	91.8	Very high	88.1	Confident	45 Å²	45	82.3 Å²	82.3	29%	0.292	40%	0.402	S	S	.	.			trans	-69	152.5	175.9	30.5	-32.9	0	0	0	111	S366 D369	S366-P477 VanDerWaalsContact O-CA 3.29Å; S366-P477 WeakPolarHBondContact O-CA 3.27Å; D369-P477 HydrophobicContact CB-CB 3.67Å; D369-P477 HydrophobicContact CB-CG 4.14Å
478	D	90.4	Very high	87.9	Confident	41 Å²	41	82.5 Å²	82.5	22%	0.219	40%	0.403	C	S	.	.			trans	-65.2	142.1	169	-67.2	12.7	0	0	0	108.6	R367 N425 E480 L481	R367-D478 IonicContact CZ-OD1 3.22Å; R367-D478 IonicContact CZ-OD2 3.25Å; R367-D478 IonicContact NE-OD1 3.2Å; R367-D478 PolarHBondContact NE-OD1 2.83Å; R367-D478 IonicContact NE-OD2 3.35Å; R367-D478 PolarHBondContact NE-OD2 2.81Å; R367-D478 IonicContact NH2-OD1 2.7Å; R367-D478 IonicContact NH2-OD2 2.81Å; R367-D478 PolarHBondContact NH2-OD2 2.93Å; R367-D478 PolarHBondContact O-N 2.95Å; N425-D478 WeakPolarHBondContact CB-O 3.36Å; N425-D478 PolarHBondContact ND2-O 2.79Å; D478-E480 VanDerWaalsContact C-N 3.28Å; D478-E480 PolarHBondContact O-N 2.8Å; D478-L481 HydrophobicContact CB-CD2 4.05Å
479	E	89.3	Confident	87.8	Confident	202 Å²	202	85.3 Å²	85.3	94%	0.944	42%	0.416	S	S	*	.	S	Bend	trans	-57.5	-41.4	175.8	-70	178.1	173.4	0	0	112.1
480	E	92.7	Very high	87.7	Confident	94 Å²	94	90.5 Å²	90.5	44%	0.439	44%	0.439	S	S	.	.	S	Bend	trans	-148.7	131.4	171.3	-173	-172.6	93.9	0	0	109.2	N425 K427 D478 K482	N425-E480 CarbonylContact O-C 3.57Å; K427-E480 HydrophobicContact CB-CG 4.49Å; D478-E480 VanDerWaalsContact C-N 3.28Å; D478-E480 PolarHBondContact O-N 2.8Å; E480-K482 PolarHBondContact O-N 3.07Å
481	L	90.3	Very high	87.9	Confident	7 Å²	7	84.5 Å²	84.5	4%	0.037	41%	0.413	C	S	.	.	B	Isolated β-bridge	trans	-73	114.8	174	-62.2	173.9	0	0	0	109.7	L368 L423 N425 L426 D478 P483 V487 F488	L368-L481 HydrophobicContact CD2-CD1 3.48Å; L368-L481 VanDerWaalsContact CD2-CD1 3.48Å; L368-L481 HydrophobicContact CD2-CD2 4.11Å; L368-L481 HydrophobicContact CD2-CG 4.45Å; L423-L481 HydrophobicContact CD1-CD1 4.42Å; N425-L481 HydrophobicContact CB-CG 4.45Å; N425-L481 WeakPolarHBondContact O-CB 3.13Å; N425-L481 WeakPolarHBondContact O-CG 3.44Å; N425-L481 PolarHBondContact O-N 2.89Å; N425-L481 VanDerWaalsContact OD1-CD1 3.31Å; N425-L481 WeakPolarHBondContact OD1-CD1 3.37Å; L426-L481 HydrophobicContact CD2-CB 4.48Å; L426-L481 HydrophobicContact CD2-CD1 3.96Å; D478-L481 HydrophobicContact CB-CD2 4.05Å; L481-P483 VanDerWaalsContact O-CD 3.3Å; L481-P483 WeakPolarHBondContact O-CD 3.36Å; L481-V487 HydrophobicContact CD2-CB 4.1Å; L481-V487 HydrophobicContact CD2-CG1 4.08Å; L481-F488 HydrophobicContact CD1-CB 4.14Å
482	K	84.4	Confident	88.2	Confident	131 Å²	131	84.3 Å²	84.3	57%	0.57	40%	0.397	S	S	*	.			trans	-69.5	119.6	178.2	-62.7	-178.3	-177.8	178.8	0	110.2	E480 K484 K485	E480-K482 PolarHBondContact O-N 3.07Å; K482-K484 PolarHBondContact O-N 2.89Å; K482-K485 HydrophobicContact CB-CB 4.5Å; K482-K485 HydrophobicContact CB-CG 4.25Å; K482-K485 PolarHBondContact O-N 2.86Å
483	P	79.6	Confident	88.3	Confident	76 Å²	76	84.6 Å²	84.6	49%	0.494	41%	0.413	S	S	.	.	G	3₁₀ helix	trans	-55.2	-32.1	-178.1	-28.4	35.3	0	0	0	113.9	K427 L481 K485 K486	K427-P483 HydrophobicContact CB-CG 4.11Å; K427-P483 HydrophobicContact CD-CG 4.09Å; L481-P483 VanDerWaalsContact O-CD 3.3Å; L481-P483 WeakPolarHBondContact O-CD 3.36Å; P483-K485 VanDerWaalsContact C-N 3.31Å; P483-K485 PolarHBondContact O-N 3.5Å; P483-K486 PolarHBondContact O-N 2.84Å
484	K	76.3	Confident	88.6	Confident	171 Å²	171	83.7 Å²	83.7	74%	0.743	41%	0.411	S	S	*	.	G	3₁₀ helix	trans	-65.6	-27.7	177	-67.9	-173.9	176.6	-176.9	0	114	K482 K486	K482-K484 PolarHBondContact O-N 2.89Å; K484-K486 VanDerWaalsContact C-N 3.34Å
485	K	82.3	Confident	89.3	Confident	80 Å²	80	74.3 Å²	74.3	35%	0.348	37%	0.37	S	S	.	.	G	3₁₀ helix	trans	-79.6	-18.9	-178.8	-75.5	-166.4	169.7	-167	0	112.6	E361 K482 P483 V487 K490	E361-K485 IonicContact OE1-NZ 2.86Å; E361-K485 IonicContact OE2-NZ 3.59Å; E361-K485 PolarHBondContact OE2-NZ 3.28Å; K482-K485 HydrophobicContact CB-CB 4.5Å; K482-K485 HydrophobicContact CB-CG 4.25Å; K482-K485 PolarHBondContact O-N 2.86Å; P483-K485 VanDerWaalsContact C-N 3.31Å; P483-K485 PolarHBondContact O-N 3.5Å; K485-V487 HydrophobicContact CB-CG2 3.67Å; K485-V487 HydrophobicContact CD-CG2 4.32Å; K485-V487 PolarHBondContact O-N 3.42Å; K485-K490 PolarHBondContact O-NZ 3.26Å
486	K	87.9	Confident	89.9	Confident	125 Å²	125	77.5 Å²	77.5	54%	0.543	38%	0.377	S	S	.	.			trans	49.7	40.5	-176.5	-63.7	-170.9	174.3	-170.5	0	113.4	P483 K484 E489 K490	P483-K486 PolarHBondContact O-N 2.84Å; K484-K486 VanDerWaalsContact C-N 3.34Å; K486-E489 WeakPolarHBondContact CA-OE2 3.22Å; K486-E489 HydrophobicContact CB-CB 4.27Å; K486-K490 WeakPolarHBondContact O-CB 3.28Å; K486-K490 WeakPolarHBondContact O-CD 3.44Å; K486-K490 WeakPolarHBondContact O-CG 3.27Å; K486-K490 PolarHBondContact O-N 3.07Å
487	V	90.6	Very high	90.4	Very high	4 Å²	4	69.8 Å²	69.8	2%	0.024	34%	0.341	C	S	.	.	H	α-helix	trans	-65.3	-49.5	-173	177	0	0	0	0	110.2	R367 L368 L481 K485 K490 L491	R367-V487 HydrophobicContact CB-CG1 4.36Å; L368-V487 HydrophobicContact CD2-CG1 4.49Å; L481-V487 HydrophobicContact CD2-CB 4.1Å; L481-V487 HydrophobicContact CD2-CG1 4.08Å; K485-V487 HydrophobicContact CB-CG2 3.67Å; K485-V487 HydrophobicContact CD-CG2 4.32Å; K485-V487 PolarHBondContact O-N 3.42Å; V487-K490 PolarHBondContact O-N 3.18Å; V487-L491 HydrophobicContact CG1-CD1 4Å; V487-L491 WeakPolarHBondContact O-CG 3.2Å; V487-L491 PolarHBondContact O-N 3.05Å; V487-L491 VanDerWaalsContact O-N 3.12Å
488	F	93.9	Very high	90.6	Very high	8 Å²	8	68.1 Å²	68.1	4%	0.035	33%	0.331	C	S	.	.	H	α-helix	trans	-60.6	-49.7	177.1	174.3	-114.5	0	0	0	110.7	L368 L423 L426 M439 L441 L481 K490 L491 Q492 F495	L368-F488 HydrophobicContact CD1-CD2 4.14Å; L368-F488 HydrophobicContact CD2-CB 4.2Å; L368-F488 HydrophobicContact CD2-CD2 4.24Å; L423-F488 HydrophobicContact CD2-CB 4.49Å; L423-F488 HydrophobicContact CD2-CD1 4.34Å; L423-F488 HydrophobicContact CD2-CD2 3.39Å; L423-F488 HydrophobicContact CD2-CE1 4.44Å; L423-F488 HydrophobicContact CD2-CE2 3.52Å; L423-F488 HydrophobicContact CD2-CG 3.83Å; L423-F488 HydrophobicContact CD2-CZ 4.06Å; L426-F488 HydrophobicContact CD2-CB 4.34Å; M439-F488 HydrophobicContact CE-CE1 4.37Å; M439-F488 HydrophobicContact SD-CE1 3.72Å; M439-F488 HydrophobicContact SD-CZ 3.77Å; L441-F488 HydrophobicContact CD2-CE2 4.29Å; L441-F488 HydrophobicContact CD2-CZ 4.17Å; L481-F488 HydrophobicContact CD1-CB 4.14Å; F488-K490 VanDerWaalsContact C-N 3.27Å; F488-K490 PolarHBondContact O-N 3.37Å; F488-L491 CarbonylContact O-C 3.34Å; F488-L491 PolarHBondContact O-N 3.27Å; F488-Q492 HydrophobicContact CE1-CB 4.46Å; F488-Q492 HydrophobicContact CE1-CG 4.39Å; F488-Q492 HydrophobicContact CE2-CB 4.38Å; F488-Q492 HydrophobicContact CZ-CB 4.33Å; F488-Q492 HydrophobicContact CZ-CG 4.17Å; F488-Q492 WeakPolarHBondContact O-CB 3.38Å; F488-Q492 PolarHBondContact O-N 3.01Å; F488-F495 HydrophobicContact CD2-CE2 4.4Å; F488-F495 AromaticContact CE2-CE2 3.87Å; F488-F495 HydrophobicContact CE2-CE2 3.87Å
489	E	93.6	Very high	90.6	Very high	89 Å²	89	71.9 Å²	71.9	42%	0.416	35%	0.347	S	S	.	.	H	α-helix	trans	-62.4	-34.1	-176.4	-58.8	92.5	137.3	0	0	112.6	K486 A493	K486-E489 WeakPolarHBondContact CA-OE2 3.22Å; K486-E489 HydrophobicContact CB-CB 4.27Å; E489-A493 PolarHBondContact O-N 2.89Å
490	K	92.6	Very high	90.8	Very high	111 Å²	111	68.6 Å²	68.6	48%	0.483	33%	0.332	S	S	.	.	H	α-helix	trans	-72.3	-37.7	175.1	-73.8	172.7	-177.4	174.5	0	112.6	I363 K485 K486 V487 F488	I363-K490 HydrophobicContact CD1-CB 4.48Å; I363-K490 HydrophobicContact CD1-CD 3.37Å; I363-K490 HydrophobicContact CG2-CB 4.11Å; K485-K490 PolarHBondContact O-NZ 3.26Å; K486-K490 WeakPolarHBondContact O-CB 3.28Å; K486-K490 WeakPolarHBondContact O-CD 3.44Å; K486-K490 WeakPolarHBondContact O-CG 3.27Å; K486-K490 PolarHBondContact O-N 3.07Å; V487-K490 PolarHBondContact O-N 3.18Å; F488-K490 VanDerWaalsContact C-N 3.27Å; F488-K490 PolarHBondContact O-N 3.37Å
491	L	93.8	Very high	91	Very high	2 Å²	2	65 Å²	65	1%	0.01	32%	0.317	C	S	.	.	H	α-helix	trans	-72.5	-42.1	175.1	-71.6	168.2	0	0	0	111.2	I363 L368 V487 F488 A493 D494 F495 W505	I363-L491 HydrophobicContact CG2-CD1 4.41Å; I363-L491 HydrophobicContact CG2-CD2 3.84Å; I363-L491 HydrophobicContact CG2-CG 3.74Å; I363-L491 WeakPolarHBondContact O-CD2 3.24Å; L368-L491 HydrophobicContact CD1-CB 4.41Å; L368-L491 HydrophobicContact CD1-CD1 3.74Å; L368-L491 HydrophobicContact CD2-CD1 3.96Å; L368-L491 HydrophobicContact CG-CD1 3.71Å; V487-L491 HydrophobicContact CG1-CD1 4Å; V487-L491 WeakPolarHBondContact O-CG 3.2Å; V487-L491 PolarHBondContact O-N 3.05Å; V487-L491 VanDerWaalsContact O-N 3.12Å; F488-L491 CarbonylContact O-C 3.34Å; F488-L491 PolarHBondContact O-N 3.27Å; L491-A493 PolarHBondContact O-N 2.92Å; L491-D494 PolarHBondContact O-N 3.48Å; L491-F495 HydrophobicContact CB-CE1 3.84Å; L491-F495 HydrophobicContact CB-CZ 3.95Å; L491-F495 WeakPolarHBondContact O-CD1 3.17Å; L491-F495 WeakPolarHBondContact O-CE1 3.21Å; L491-F495 PolarHBondContact O-N 2.7Å; L491-W505 HydrophobicContact CD2-CZ2 3.66Å; L491-W505 VanDerWaalsContact O-CD1 3.26Å; L491-W505 PolarHBondContact O-NE1 3.34Å
492	Q	95.3	Very high	91.3	Very high	49 Å²	49	66.2 Å²	66.2	23%	0.229	32%	0.323	C	S	.	.	H	α-helix	trans	-59	-32.6	179.9	-174.1	-173	23.9	0	0	112.4	F488 D494 F495 I527 S528	F488-Q492 HydrophobicContact CE1-CB 4.46Å; F488-Q492 HydrophobicContact CE1-CG 4.39Å; F488-Q492 HydrophobicContact CE2-CB 4.38Å; F488-Q492 HydrophobicContact CZ-CB 4.33Å; F488-Q492 HydrophobicContact CZ-CG 4.17Å; F488-Q492 WeakPolarHBondContact O-CB 3.38Å; F488-Q492 PolarHBondContact O-N 3.01Å; Q492-D494 PolarHBondContact O-N 3.02Å; Q492-D494 VanDerWaalsContact O-N 3.07Å; Q492-F495 HydrophobicContact CB-CD2 4.3Å; Q492-F495 HydrophobicContact CG-CD2 4.32Å; Q492-F495 WeakPolarHBondContact O-CB 3.43Å; Q492-F495 PolarHBondContact O-N 3.35Å; Q492-I527 WeakPolarHBondContact CG-O 3.44Å; Q492-I527 PolarHBondContact NE2-O 3.09Å; Q492-I527 VanDerWaalsContact NE2-O 3.13Å; Q492-S528 VanDerWaalsContact NE2-CA 3.35Å
493	A	91.9	Very high	91.9	Very high	69 Å²	69	60 Å²	60	57%	0.57	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	-29.1	174.2	0	0	0	0	0	112.8	E489 L491	E489-A493 PolarHBondContact O-N 2.89Å; L491-A493 PolarHBondContact O-N 2.92Å
494	D	93.7	Very high	92.7	Very high	65 Å²	65	57.9 Å²	57.9	35%	0.348	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.1	6.6	177.9	-64.7	-46.4	0	0	0	113.2	L491 Q492 W505 K506	L491-D494 PolarHBondContact O-N 3.48Å; Q492-D494 PolarHBondContact O-N 3.02Å; Q492-D494 VanDerWaalsContact O-N 3.07Å; D494-W505 WeakPolarHBondContact O-CA 3.39Å; D494-K506 HydrophobicContact CB-CG 3.77Å; D494-K506 PolarHBondContact O-N 3.22Å; D494-K506 WeakPolarHBondContact OD2-CE 3.31Å
495	F	96.4	Very high	93.6	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	120	175.6	-69.7	2.3	0	0	0	110.8	L368 F488 L491 Q492 Q504 W505 F510 I527	L368-F495 HydrophobicContact CD1-CE2 4.17Å; L368-F495 HydrophobicContact CD1-CZ 3.56Å; F488-F495 HydrophobicContact CD2-CE2 4.4Å; F488-F495 AromaticContact CE2-CE2 3.87Å; F488-F495 HydrophobicContact CE2-CE2 3.87Å; L491-F495 HydrophobicContact CB-CE1 3.84Å; L491-F495 HydrophobicContact CB-CZ 3.95Å; L491-F495 WeakPolarHBondContact O-CD1 3.17Å; L491-F495 WeakPolarHBondContact O-CE1 3.21Å; L491-F495 PolarHBondContact O-N 2.7Å; Q492-F495 HydrophobicContact CB-CD2 4.3Å; Q492-F495 HydrophobicContact CG-CD2 4.32Å; Q492-F495 WeakPolarHBondContact O-CB 3.43Å; Q492-F495 PolarHBondContact O-N 3.35Å; F495-Q504 CarbonylContact C-O 3.25Å; F495-Q504 VanDerWaalsContact CA-O 3.31Å; F495-Q504 WeakPolarHBondContact CA-O 3.46Å; F495-W505 HydrophobicContact CD1-CB 3.87Å; F495-W505 AromaticContact CD1-CD1 3.52Å; F495-W505 HydrophobicContact CD1-CG 4.05Å; F495-W505 HydrophobicContact CE1-CB 3.91Å; F495-W505 AromaticContact CE1-CD1 3.42Å; F495-W505 VanDerWaalsContact CE1-CD1 3.42Å; F495-W505 AromaticContact CE1-CG 3.88Å; F495-W505 HydrophobicContact CE1-CG 3.88Å; F495-F510 HydrophobicContact CD1-CE2 4.02Å; F495-F510 AromaticContact CD1-CZ 3.84Å; F495-F510 HydrophobicContact CD1-CZ 3.84Å; F495-F510 HydrophobicContact CD2-CZ 4.24Å; F495-F510 HydrophobicContact CE1-CE2 4.18Å; F495-F510 AromaticContact CE1-CZ 3.53Å; F495-F510 HydrophobicContact CE1-CZ 3.53Å; F495-F510 AromaticContact CE2-CZ 3.91Å; F495-F510 HydrophobicContact CE2-CZ 3.91Å; F495-F510 HydrophobicContact CG-CE2 4.28Å; F495-F510 HydrophobicContact CG-CZ 4.22Å; F495-F510 HydrophobicContact CZ-CE1 4.33Å; F495-F510 AromaticContact CZ-CZ 3.57Å; F495-F510 HydrophobicContact CZ-CZ 3.57Å; F495-I527 HydrophobicContact CB-CB 3.78Å; F495-I527 HydrophobicContact CB-CD1 4.13Å; F495-I527 HydrophobicContact CB-CG1 4.1Å; F495-I527 HydrophobicContact CD2-CB 4.18Å; F495-I527 HydrophobicContact CD2-CG2 4.42Å; F495-I527 HydrophobicContact CG-CB 4.45Å
496	K	95.7	Very high	94	Very high	91 Å²	91	51.9 Å²	51.9	40%	0.396	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	157.9	-174.8	-64.1	-65.2	-179.5	177.8	0	111.7	Q504 G525 N526	K496-Q504 PolarHBondContact N-O 2.87Å; K496-Q504 PolarHBondContact O-N 3.2Å; K496-G525 CarbonylContact C-O 3.51Å; K496-G525 VanDerWaalsContact CA-O 3.29Å; K496-G525 WeakPolarHBondContact CA-O 3.33Å; K496-N526 PolarHBondContact NZ-OD1 3.18Å
497	I	96.9	Very high	94	Very high	5 Å²	5	54.1 Å²	54.1	3%	0.026	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	129.5	167	-56.1	-60.8	0	0	0	109.3	A443 L455 I502 A503 L522 G524 G525 I527	A443-I497 HydrophobicContact CB-CD1 3.75Å; A443-I497 HydrophobicContact CB-CG1 3.65Å; L455-I497 HydrophobicContact CD2-CD1 3.96Å; I497-I502 CarbonylContact C-O 3.54Å; I497-I502 WeakPolarHBondContact CA-O 3.31Å; I497-A503 HydrophobicContact CD1-CB 4.2Å; I497-L522 WeakPolarHBondContact CG2-O 3.33Å; I497-G524 VanDerWaalsContact O-CA 3.28Å; I497-G524 WeakPolarHBondContact O-CA 3.28Å; I497-G524 PolarHBondContact O-N 3.02Å; I497-G525 PolarHBondContact N-O 2.95Å; I497-I527 HydrophobicContact CD1-CD1 3.87Å; I497-I527 HydrophobicContact CD1-CG1 3.74Å; I497-I527 HydrophobicContact CG1-CG1 4.28Å
498	S	94.4	Very high	94.2	Very high	11 Å²	11	56.1 Å²	56.1	8%	0.077	28%	0.278	C	S	.	.			trans	-73.5	175.1	177.5	85.8	0	0	0	0	112.7	E500 C501 I502	S498-E500 WeakPolarHBondContact CB-OE2 3.49Å; S498-E500 PolarHBondContact O-N 2.74Å; S498-E500 PolarHBondContact OG-N 2.99Å; S498-E500 PolarHBondContact OG-OE2 2.97Å; S498-C501 PolarHBondContact O-N 2.93Å; S498-C501 VanDerWaalsContact O-N 3.12Å; S498-I502 PolarHBondContact N-O 2.82Å; S498-I502 PolarHBondContact OG-N 2.83Å
499	E	92.1	Very high	94.3	Very high	120 Å²	120	57.5 Å²	57.5	56%	0.561	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-17.5	174.8	-68.9	-59.4	146.6	0	0	113.4	C501 K523	E499-C501 VanDerWaalsContact C-N 3.34Å; E499-K523 VanDerWaalsContact O-CD 3.27Å; E499-K523 WeakPolarHBondContact O-CD 3.1Å; E499-K523 WeakPolarHBondContact O-CE 3.28Å; E499-K523 PolarHBondContact O-NZ 2.82Å
500	E	93.4	Very high	94.5	Very high	132 Å²	132	53.7 Å²	53.7	62%	0.617	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.6	14.3	174.8	-53	75.2	-160.4	0	0	112.6	S498 I502	S498-E500 WeakPolarHBondContact CB-OE2 3.49Å; S498-E500 PolarHBondContact O-N 2.74Å; S498-E500 PolarHBondContact OG-N 2.99Å; S498-E500 PolarHBondContact OG-OE2 2.97Å; E500-I502 VanDerWaalsContact C-N 3.27Å; E500-I502 HydrophobicContact CB-CD1 4.12Å; E500-I502 HydrophobicContact CB-CG1 4.2Å; E500-I502 PolarHBondContact O-N 3.01Å
501	C	95.4	Very high	94.6	Very high	19 Å²	19	50.3 Å²	50.3	13%	0.128	25%	0.254	C	S	.	.	S	Bend	trans	62	29.8	-178.4	-49.6	0	0	0	0	113.7	S498 E499 S518 C519 L522	S498-C501 PolarHBondContact O-N 2.93Å; S498-C501 VanDerWaalsContact O-N 3.12Å; E499-C501 VanDerWaalsContact C-N 3.34Å; C501-S518 CarbonylContact O-C 3.46Å; C501-S518 WeakPolarHBondContact O-CA 3.38Å; C501-S518 WeakPolarHBondContact O-CB 3.31Å; C501-C519 WeakPolarHBondContact CB-O 3.21Å; C501-C519 PolarHBondContact O-N 3.34Å; C501-L522 PolarHBondContact SG-O 3.26Å
502	I	96.8	Very high	94.7	Very high	33 Å²	33	50.2 Å²	50.2	17%	0.169	25%	0.254	C	S	.	.	B	Isolated β-bridge	trans	-99.5	134.9	-179.1	-60.3	175.5	0	0	0	110.6	I497 S498 E500 Q504 N509	I497-I502 CarbonylContact C-O 3.54Å; I497-I502 WeakPolarHBondContact CA-O 3.31Å; S498-I502 PolarHBondContact N-O 2.82Å; S498-I502 PolarHBondContact OG-N 2.83Å; E500-I502 VanDerWaalsContact C-N 3.27Å; E500-I502 HydrophobicContact CB-CD1 4.12Å; E500-I502 HydrophobicContact CB-CG1 4.2Å; E500-I502 PolarHBondContact O-N 3.01Å; I502-Q504 HydrophobicContact CG2-CG 4.41Å; I502-N509 HydrophobicContact CG2-CB 3.96Å
503	A	97.4	Very high	94.5	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	130.2	173.2	0	0	0	0	0	111.2	L455 I497 N509 F510 I517 I527	L455-A503 HydrophobicContact CD1-CB 4.17Å; L455-A503 HydrophobicContact CD2-CB 4.26Å; I497-A503 HydrophobicContact CD1-CB 4.2Å; A503-N509 CarbonylContact O-C 3.59Å; A503-N509 WeakPolarHBondContact O-CA 3.16Å; A503-F510 HydrophobicContact CB-CB 4.09Å; A503-F510 HydrophobicContact CB-CD2 3.91Å; A503-F510 HydrophobicContact CB-CG 4.35Å; A503-F510 PolarHBondContact O-N 3.08Å; A503-I517 HydrophobicContact CB-CB 4.19Å; A503-I517 HydrophobicContact CB-CG2 4.05Å; A503-I517 PolarHBondContact N-O 3.21Å; A503-I527 HydrophobicContact CB-CD1 3.54Å
504	Q	96.4	Very high	94.5	Very high	32 Å²	32	58.3 Å²	58.3	15%	0.15	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	147.5	-176	-66	-177.4	-24.5	0	0	113	F495 K496 I502 T508 N509	F495-Q504 CarbonylContact C-O 3.25Å; F495-Q504 VanDerWaalsContact CA-O 3.31Å; F495-Q504 WeakPolarHBondContact CA-O 3.46Å; K496-Q504 PolarHBondContact N-O 2.87Å; K496-Q504 PolarHBondContact O-N 3.2Å; I502-Q504 HydrophobicContact CG2-CG 4.41Å; Q504-T508 CarbonylContact C-O 3.57Å; Q504-T508 WeakPolarHBondContact CA-O 3.3Å; Q504-N509 WeakPolarHBondContact CG-OD1 3.11Å; Q504-N509 PolarHBondContact NE2-OD1 2.71Å
505	W	95.6	Very high	94.5	Very high	8 Å²	8	56.2 Å²	56.2	3%	0.03	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	123.2	160.6	174.7	72	0	0	0	108.7	P365 V469 Y472 L491 D494 F495 Q507 T508 F510	P365-W505 HydrophobicContact CB-CD2 4.44Å; P365-W505 HydrophobicContact CB-CE3 4.47Å; P365-W505 VanDerWaalsContact CD-CH2 3.47Å; P365-W505 VanDerWaalsContact CD-CZ3 3.42Å; P365-W505 HydrophobicContact CG-CD2 4.05Å; P365-W505 HydrophobicContact CG-CE3 3.63Å; P365-W505 HydrophobicContact CG-CH2 4.32Å; P365-W505 HydrophobicContact CG-CZ3 3.78Å; V469-W505 HydrophobicContact CG1-CB 4.43Å; V469-W505 HydrophobicContact CG1-CE3 4.21Å; V469-W505 HydrophobicContact CG2-CB 4.03Å; Y472-W505 HydrophobicContact CE2-CE3 4.36Å; Y472-W505 AromaticContact CE2-CZ3 3.69Å; Y472-W505 HydrophobicContact CE2-CZ3 3.69Å; Y472-W505 AromaticContact CZ-CZ3 3.81Å; L491-W505 HydrophobicContact CD2-CZ2 3.66Å; L491-W505 VanDerWaalsContact O-CD1 3.26Å; L491-W505 PolarHBondContact O-NE1 3.34Å; D494-W505 WeakPolarHBondContact O-CA 3.39Å; F495-W505 HydrophobicContact CD1-CB 3.87Å; F495-W505 AromaticContact CD1-CD1 3.52Å; F495-W505 HydrophobicContact CD1-CG 4.05Å; F495-W505 HydrophobicContact CE1-CB 3.91Å; F495-W505 AromaticContact CE1-CD1 3.42Å; F495-W505 VanDerWaalsContact CE1-CD1 3.42Å; F495-W505 AromaticContact CE1-CG 3.88Å; F495-W505 HydrophobicContact CE1-CG 3.88Å; W505-Q507 VanDerWaalsContact C-N 3.29Å; W505-Q507 PolarHBondContact O-N 3.44Å; W505-T508 PolarHBondContact N-O 2.77Å; W505-T508 WeakPolarHBondContact O-CA 3.08Å; W505-T508 VanDerWaalsContact O-CB 3.31Å; W505-T508 WeakPolarHBondContact O-CB 3.47Å; W505-T508 PolarHBondContact O-N 2.81Å; W505-F510 HydrophobicContact CB-CE2 3.96Å; W505-F510 HydrophobicContact CB-CZ 4.13Å
506	K	91.1	Very high	94.5	Very high	116 Å²	116	58.1 Å²	58.1	50%	0.504	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	45.9	51.1	-175.7	-63.1	-174.9	177.5	177.3	0	112.8	D494 T508	D494-K506 HydrophobicContact CB-CG 3.77Å; D494-K506 PolarHBondContact O-N 3.22Å; D494-K506 WeakPolarHBondContact OD2-CE 3.31Å; K506-T508 PolarHBondContact O-N 2.93Å; K506-T508 VanDerWaalsContact O-N 3.13Å; K506-T508 PolarHBondContact O-OG1 3.13Å
507	Q	87.8	Confident	94.6	Very high	173 Å²	173	53.9 Å²	53.9	81%	0.808	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.9	11.8	-178.1	-55.7	176.6	-23.1	0	0	115.4	W505	W505-Q507 VanDerWaalsContact C-N 3.29Å; W505-Q507 PolarHBondContact O-N 3.44Å
508	T	94.4	Very high	94.6	Very high	46 Å²	46	55.7 Å²	55.7	28%	0.282	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	128	178.5	-52.8	0	0	0	0	110.1	V469 K470 Q504 W505 K506	V469-T508 HydrophobicContact CG1-CG2 3.51Å; K470-T508 HydrophobicContact CB-CG2 3.75Å; K470-T508 WeakPolarHBondContact O-CG2 3.43Å; Q504-T508 CarbonylContact C-O 3.57Å; Q504-T508 WeakPolarHBondContact CA-O 3.3Å; W505-T508 PolarHBondContact N-O 2.77Å; W505-T508 WeakPolarHBondContact O-CA 3.08Å; W505-T508 VanDerWaalsContact O-CB 3.31Å; W505-T508 WeakPolarHBondContact O-CB 3.47Å; W505-T508 PolarHBondContact O-N 2.81Å; K506-T508 PolarHBondContact O-N 2.93Å; K506-T508 VanDerWaalsContact O-N 3.13Å; K506-T508 PolarHBondContact O-OG1 3.13Å
509	N	96.3	Very high	94.6	Very high	37 Å²	37	55.4 Å²	55.4	20%	0.198	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	139.4	-170.8	-60.7	-0.2	0	0	0	112.9	V469 K470 I502 A503 Q504 S516	V469-N509 WeakPolarHBondContact CA-O 3.41Å; K470-N509 PolarHBondContact N-O 2.91Å; I502-N509 HydrophobicContact CG2-CB 3.96Å; A503-N509 CarbonylContact O-C 3.59Å; A503-N509 WeakPolarHBondContact O-CA 3.16Å; Q504-N509 WeakPolarHBondContact CG-OD1 3.11Å; Q504-N509 PolarHBondContact NE2-OD1 2.71Å; N509-S516 PolarHBondContact ND2-OG 2.91Å
510	F	97.1	Very high	94.7	Very high	8 Å²	8	56.3 Å²	56.3	4%	0.035	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	138.5	155.6	-73	-90.4	0	0	0	109.2	I370 V467 F468 V469 F495 A503 W505 S516 I517 I527	I370-F510 HydrophobicContact CD1-CD1 4.3Å; I370-F510 HydrophobicContact CD1-CE1 3.68Å; V467-F510 HydrophobicContact CG1-CB 4.21Å; V467-F510 HydrophobicContact CG1-CD1 4.1Å; F468-F510 CarbonylContact O-C 3.55Å; F468-F510 WeakPolarHBondContact O-CA 3.24Å; V469-F510 HydrophobicContact CG2-CD1 3.71Å; V469-F510 HydrophobicContact CG2-CD2 4.35Å; V469-F510 HydrophobicContact CG2-CE1 3.48Å; V469-F510 VanDerWaalsContact CG2-CE1 3.48Å; V469-F510 HydrophobicContact CG2-CE2 4.17Å; V469-F510 HydrophobicContact CG2-CG 4.14Å; V469-F510 HydrophobicContact CG2-CZ 3.73Å; F495-F510 HydrophobicContact CD1-CE2 4.02Å; F495-F510 AromaticContact CD1-CZ 3.84Å; F495-F510 HydrophobicContact CD1-CZ 3.84Å; F495-F510 HydrophobicContact CD2-CZ 4.24Å; F495-F510 HydrophobicContact CE1-CE2 4.18Å; F495-F510 AromaticContact CE1-CZ 3.53Å; F495-F510 HydrophobicContact CE1-CZ 3.53Å; F495-F510 AromaticContact CE2-CZ 3.91Å; F495-F510 HydrophobicContact CE2-CZ 3.91Å; F495-F510 HydrophobicContact CG-CE2 4.28Å; F495-F510 HydrophobicContact CG-CZ 4.22Å; F495-F510 HydrophobicContact CZ-CE1 4.33Å; F495-F510 AromaticContact CZ-CZ 3.57Å; F495-F510 HydrophobicContact CZ-CZ 3.57Å; A503-F510 HydrophobicContact CB-CB 4.09Å; A503-F510 HydrophobicContact CB-CD2 3.91Å; A503-F510 HydrophobicContact CB-CG 4.35Å; A503-F510 PolarHBondContact O-N 3.08Å; W505-F510 HydrophobicContact CB-CE2 3.96Å; W505-F510 HydrophobicContact CB-CZ 4.13Å; F510-S516 CarbonylContact O-C 3.55Å; F510-S516 WeakPolarHBondContact O-CA 3.43Å; F510-I517 HydrophobicContact CB-CB 3.95Å; F510-I517 HydrophobicContact CB-CG1 3.87Å; F510-I517 PolarHBondContact O-N 3.35Å; F510-I527 HydrophobicContact CE2-CD1 4.39Å
511	M	95.6	Very high	94.6	Very high	41 Å²	41	53.4 Å²	53.4	20%	0.202	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	162.5	-178.8	64.3	-172.9	-49.8	0	0	112.2	V467 F468 K470 G515	V467-M511 WeakPolarHBondContact CA-O 3.46Å; F468-M511 HydrophobicContact CD2-CG 3.83Å; F468-M511 HydrophobicContact CE2-CG 3.3Å; F468-M511 HydrophobicContact CE2-SD 3.9Å; F468-M511 HydrophobicContact CZ-CG 3.84Å; F468-M511 PolarHBondContact N-O 3.3Å; F468-M511 PolarHBondContact O-N 2.9Å; K470-M511 HydrophobicContact CB-SD 3.79Å; K470-M511 HydrophobicContact CD-SD 4.31Å; K470-M511 HydrophobicContact CG-SD 4.01Å; M511-G515 CarbonylContact C-O 3.45Å; M511-G515 WeakPolarHBondContact CA-O 3.4Å; M511-G515 WeakPolarHBondContact CB-O 3.38Å
512	T	95.1	Very high	94.5	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	27%	0.271	C	S	.	.			trans	-103.1	-170	163.1	73.7	0	0	0	0	109.4	V372 P458 S461 E465 V467 L514 G515 I517	V372-T512 HydrophobicContact CG2-CG2 3.94Å; P458-T512 HydrophobicContact CG-CG2 4.25Å; P458-T512 WeakPolarHBondContact CG-OG1 3.2Å; S461-T512 PolarHBondContact OG-OG1 2.87Å; E465-T512 HydrophobicContact CG-CG2 4.48Å; E465-T512 WeakPolarHBondContact OE1-CB 3.38Å; V467-T512 HydrophobicContact CG2-CG2 4.1Å; T512-L514 PolarHBondContact O-N 2.76Å; T512-L514 PolarHBondContact OG1-N 3.05Å; T512-L514 VanDerWaalsContact OG1-N 3.08Å; T512-G515 PolarHBondContact N-O 3.23Å; T512-I517 HydrophobicContact CG2-CD1 3.88Å
513	K	91.1	Very high	94.2	Very high	188 Å²	188	56.4 Å²	56.4	82%	0.817	29%	0.286	S	S	*	.	S	Bend	trans	-66.9	-19.2	171.4	-66.5	179.8	-178.8	174.4	0	112.7	E465	E465-K513 PolarHBondContact OE1-N 2.81Å
514	L	91.7	Very high	93.5	Very high	100 Å²	100	58.8 Å²	58.8	52%	0.524	31%	0.31	S	S	.	.	S	Bend	trans	-96.4	-19	-173.8	-61.3	176.7	0	0	0	113.7	P458 G460 T512	P458-L514 HydrophobicContact CB-CB 4.26Å; P458-L514 HydrophobicContact CG-CB 3.86Å; G460-L514 WeakPolarHBondContact O-CD1 3.29Å; T512-L514 PolarHBondContact O-N 2.76Å; T512-L514 PolarHBondContact OG1-N 3.05Å; T512-L514 VanDerWaalsContact OG1-N 3.08Å
515	G	94.1	Very high	93.1	Very high	21 Å²	21	57.4 Å²	57.4	22%	0.216	31%	0.305	C	S	.	.			trans	157.8	-178.5	-178.6	0	0	0	0	0	114.2	M511 T512	M511-G515 CarbonylContact C-O 3.45Å; M511-G515 WeakPolarHBondContact CA-O 3.4Å; M511-G515 WeakPolarHBondContact CB-O 3.38Å; T512-G515 PolarHBondContact N-O 3.23Å
516	S	96.4	Very high	93	Very high	40 Å²	40	59.9 Å²	59.9	28%	0.28	32%	0.318	S	S	.	.	B	Isolated β-bridge	trans	-67.8	148.8	179.8	-54.5	0	0	0	0	112.2	N509 F510	N509-S516 PolarHBondContact ND2-OG 2.91Å; F510-S516 CarbonylContact O-C 3.55Å; F510-S516 WeakPolarHBondContact O-CA 3.43Å
517	I	97.9	Very high	93.2	Very high	1 Å²	1	54.5 Å²	54.5	1%	0.005	30%	0.295	C	S	.	.			trans	-79	129.3	166	-56.6	-56	0	0	0	108.4	V421 L455 P457 V467 A503 F510 T512	V421-I517 HydrophobicContact CG2-CD1 4.11Å; V421-I517 HydrophobicContact CG2-CG2 3.83Å; L455-I517 HydrophobicContact CB-CG2 3.79Å; L455-I517 HydrophobicContact CD1-CG2 4.03Å; L455-I517 HydrophobicContact CG-CG2 4.37Å; P457-I517 HydrophobicContact CB-CD1 4.02Å; V467-I517 HydrophobicContact CG1-CD1 4.03Å; V467-I517 HydrophobicContact CG1-CG1 3.59Å; V467-I517 HydrophobicContact CG2-CD1 4.03Å; A503-I517 HydrophobicContact CB-CB 4.19Å; A503-I517 HydrophobicContact CB-CG2 4.05Å; A503-I517 PolarHBondContact N-O 3.21Å; F510-I517 HydrophobicContact CB-CB 3.95Å; F510-I517 HydrophobicContact CB-CG1 3.87Å; F510-I517 PolarHBondContact O-N 3.35Å; T512-I517 HydrophobicContact CG2-CD1 3.88Å
518	S	97	Very high	93.1	Very high	43 Å²	43	48.4 Å²	48.4	30%	0.301	27%	0.271	S	S	.	.	B	Isolated β-bridge	trans	-121.2	178.2	179.6	54	0	0	0	0	111.6	L455 D456 C501	L455-S518 CarbonylContact C-O 3.58Å; L455-S518 WeakPolarHBondContact CA-O 3.31Å; D456-S518 PolarHBondContact N-O 3.43Å; D456-S518 PolarHBondContact O-N 3.27Å; C501-S518 CarbonylContact O-C 3.46Å; C501-S518 WeakPolarHBondContact O-CA 3.38Å; C501-S518 WeakPolarHBondContact O-CB 3.31Å
519	C	95.2	Very high	93	Very high	6 Å²	6	48.5 Å²	48.5	4%	0.041	27%	0.271	C	S	.	.			trans	-128.3	168.4	160.6	64.8	0	0	0	0	109.1	A443 E453 L455 C501	A443-C519 HydrophobicContact CB-CB 3.81Å; E453-C519 HydrophobicContact CG-CB 4.3Å; E453-C519 WeakPolarHBondContact OE1-CB 3.47Å; E453-C519 PolarHBondContact OE1-SG 3.07Å; L455-C519 HydrophobicContact CD2-CB 4.03Å; C501-C519 WeakPolarHBondContact CB-O 3.21Å; C501-C519 PolarHBondContact O-N 3.34Å
520	K	92.3	Very high	92.8	Very high	138 Å²	138	49.1 Å²	49.1	60%	0.6	28%	0.275	S	S	*	.	S	Bend	trans	-66.7	-40.5	-169.1	178.6	-177.5	-175.3	179.1	0	112.9	E414 E453	E414-K520 IonicContact OE2-NZ 3.62Å; E453-K520 PolarHBondContact OE1-N 3.37Å; E453-K520 WeakPolarHBondContact OE2-CB 3.46Å
521	S	92.8	Very high	92.6	Very high	71 Å²	71	51.4 Å²	51.4	50%	0.497	29%	0.288	S	S	.	.	S	Bend	trans	-156.1	-16	-169.8	61.7	0	0	0	0	117.5	E453	E453-S521 PolarHBondContact OE1-N 3.12Å; E453-S521 PolarHBondContact OE2-N 3.21Å; E453-S521 VanDerWaalsContact OE2-N 3.08Å; E453-S521 PolarHBondContact OE2-OG 3.24Å
522	L	91.9	Very high	92.4	Very high	5 Å²	5	52 Å²	52	3%	0.026	29%	0.293	C	S	.	.			trans	-73	143.1	-177	-66.2	-178	0	0	0	112.2	A443 I445 Q451 E453 I497 C501	A443-L522 HydrophobicContact CB-CB 4.38Å; A443-L522 HydrophobicContact CB-CD1 3.9Å; I445-L522 HydrophobicContact CD1-CB 4.27Å; I445-L522 HydrophobicContact CD1-CD2 3.76Å; I445-L522 HydrophobicContact CD1-CG 4.46Å; I445-L522 HydrophobicContact CG1-CD1 4.34Å; I445-L522 HydrophobicContact CG1-CD2 4.11Å; Q451-L522 HydrophobicContact CB-CD1 4.4Å; Q451-L522 HydrophobicContact CB-CD2 3.76Å; E453-L522 VanDerWaalsContact CD-CG 3.46Å; E453-L522 HydrophobicContact CG-CB 4.36Å; E453-L522 HydrophobicContact CG-CD1 3.46Å; E453-L522 VanDerWaalsContact CG-CD1 3.46Å; E453-L522 HydrophobicContact CG-CG 3.59Å; E453-L522 VanDerWaalsContact OE1-CB 3.31Å; E453-L522 WeakPolarHBondContact OE1-CB 3.41Å; E453-L522 VanDerWaalsContact OE1-CG 3.31Å; E453-L522 WeakPolarHBondContact OE1-CG 3.29Å; E453-L522 PolarHBondContact OE1-N 2.71Å; I497-L522 WeakPolarHBondContact CG2-O 3.33Å; C501-L522 PolarHBondContact SG-O 3.26Å
523	K	91.6	Very high	92.2	Very high	111 Å²	111	55.3 Å²	55.3	48%	0.483	31%	0.311	S	S	.	.			trans	-130.9	137.6	177.8	-60.3	-177.1	178.8	-152.9	0	110.1	I445 E499 G525	I445-K523 VanDerWaalsContact CD1-O 3.28Å; I445-K523 WeakPolarHBondContact CD1-O 3.17Å; E499-K523 VanDerWaalsContact O-CD 3.27Å; E499-K523 WeakPolarHBondContact O-CD 3.1Å; E499-K523 WeakPolarHBondContact O-CE 3.28Å; E499-K523 PolarHBondContact O-NZ 2.82Å; K523-G525 PolarHBondContact O-N 2.69Å
524	G	83.1	Confident	92.3	Very high	50 Å²	50	46.4 Å²	46.4	52%	0.515	28%	0.278	S	S	.	.	S	Bend	trans	70.5	12.5	176.5	0	0	0	0	0	115.7	I497	I497-G524 VanDerWaalsContact O-CA 3.28Å; I497-G524 WeakPolarHBondContact O-CA 3.28Å; I497-G524 PolarHBondContact O-N 3.02Å
525	G	87.4	Confident	92.4	Very high	3 Å²	3	42.6 Å²	42.6	3%	0.031	26%	0.26	C	S	.	.			trans	-82.8	175.5	179.9	0	0	0	0	0	114.9	S444 K496 I497 K523	S444-G525 CarbonylContact O-C 3.59Å; S444-G525 WeakPolarHBondContact O-CA 3.14Å; K496-G525 CarbonylContact C-O 3.51Å; K496-G525 VanDerWaalsContact CA-O 3.29Å; K496-G525 WeakPolarHBondContact CA-O 3.33Å; I497-G525 PolarHBondContact N-O 2.95Å; K523-G525 PolarHBondContact O-N 2.69Å
526	N	93.8	Very high	92.2	Very high	60 Å²	60	44.2 Å²	44.2	32%	0.321	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	168	170.3	-61.7	-55.8	0	0	0	110.8	A443 S444 K496	A443-N526 CarbonylContact C-O 3.42Å; A443-N526 WeakPolarHBondContact CA-O 3.09Å; S444-N526 PolarHBondContact N-O 2.88Å; S444-N526 PolarHBondContact O-N 2.84Å; K496-N526 PolarHBondContact NZ-OD1 3.18Å
527	I	94.9	Very high	91.9	Very high	2 Å²	2	44.6 Å²	44.6	1%	0.01	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	131	168.9	-51.2	174.5	0	0	0	108.9	L441 C442 L455 Q492 F495 I497 A503 F510	L441-I527 HydrophobicContact CB-CG2 4.14Å; C442-I527 CarbonylContact O-C 3.59Å; C442-I527 VanDerWaalsContact O-CA 3.27Å; C442-I527 WeakPolarHBondContact O-CA 3.27Å; L455-I527 HydrophobicContact CD1-CD1 4.3Å; L455-I527 HydrophobicContact CD1-CG2 3.76Å; L455-I527 HydrophobicContact CG-CG2 4.49Å; Q492-I527 WeakPolarHBondContact CG-O 3.44Å; Q492-I527 PolarHBondContact NE2-O 3.09Å; Q492-I527 VanDerWaalsContact NE2-O 3.13Å; F495-I527 HydrophobicContact CB-CB 3.78Å; F495-I527 HydrophobicContact CB-CD1 4.13Å; F495-I527 HydrophobicContact CB-CG1 4.1Å; F495-I527 HydrophobicContact CD2-CB 4.18Å; F495-I527 HydrophobicContact CD2-CG2 4.42Å; F495-I527 HydrophobicContact CG-CB 4.45Å; I497-I527 HydrophobicContact CD1-CD1 3.87Å; I497-I527 HydrophobicContact CD1-CG1 3.74Å; I497-I527 HydrophobicContact CG1-CG1 4.28Å; A503-I527 HydrophobicContact CB-CD1 3.54Å; F510-I527 HydrophobicContact CE2-CD1 4.39Å
528	S	84.9	Confident	91.3	Very high	45 Å²	45	48.5 Å²	48.5	32%	0.315	29%	0.285	S	S	.	.			trans	-146.5	0	-178.9	61.6	0	0	0	0	113.3	C442 Q492	C442-S528 PolarHBondContact N-O 2.83Å; C442-S528 PolarHBondContact O-N 3.28Å; Q492-S528 VanDerWaalsContact NE2-CA 3.35Å

Retrieved 528 of 528 residues in 310.6 ms (Link to these results)

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