A0A077ZI89_TRITR Loading...

Mre11 DNA bind and Metallophos domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZI89, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 536 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	41.9	Very low	47.2	Very low	241 Å²	241	155.6 Å²	155.6	100%	1.187	79%	0.79	S	S	*	*				0	96	0	-107.1	174	158	0	0	107.7	V3	M1-V3 PolarHBondContact O-N 3.01Å
2	Q	37.6	Very low	50.6	Low	195 Å²	195	148.5 Å²	148.5	91%	0.911	75%	0.752	S	S	*	*			trans	-75.8	110.1	165	-82.7	-179.4	-11.9	0	0	106.4	P4	Q2-P4 WeakPolarHBondContact O-CD 3.48Å
3	V	39.4	Very low	54	Low	129 Å²	129	139 Å²	139	78%	0.782	71%	0.707	S	S	*	*			trans	-64.8	120.7	167.9	-179.3	0	0	0	0	105.5	M1 D5	M1-V3 PolarHBondContact O-N 3.01Å; V3-D5 PolarHBondContact O-N 3.32Å; V3-D5 VanDerWaalsContact O-N 3.13Å
4	P	40	Very low	57.2	Low	108 Å²	108	129.1 Å²	129.1	70%	0.701	66%	0.657	S	S	*	*			trans	-62.2	122.9	178.1	-12.9	25.3	0	0	0	107.4	Q2 K6	Q2-P4 WeakPolarHBondContact O-CD 3.48Å; P4-K6 PolarHBondContact O-N 2.91Å
5	D	44.1	Very low	59.9	Low	151 Å²	151	124.9 Å²	124.9	81%	0.807	63%	0.632	S	S	*	*			trans	-52.3	97.2	164	-111.4	-21.8	0	0	0	106.5	V3 K7	V3-D5 PolarHBondContact O-N 3.32Å; V3-D5 VanDerWaalsContact O-N 3.13Å; D5-K7 PolarHBondContact O-N 2.74Å
6	K	42.6	Very low	62.3	Low	189 Å²	189	117.3 Å²	117.3	82%	0.822	59%	0.594	S	S	*	*			trans	-64.8	83.7	159.4	-81.8	-178.2	177.3	177.2	0	104.1	P4 V8	P4-K6 PolarHBondContact O-N 2.91Å; K6-V8 PolarHBondContact O-N 2.84Å
7	K	42.4	Very low	64.4	Low	185 Å²	185	110.4 Å²	110.4	80%	0.804	56%	0.559	S	S	*	*			trans	-54.2	90.8	151	-77	-174.1	177.8	-179.2	0	104.2	D5 K9	D5-K7 PolarHBondContact O-N 2.74Å; K7-K9 VanDerWaalsContact C-N 3.3Å; K7-K9 PolarHBondContact O-N 3.48Å
8	V	44	Very low	66.4	Low	112 Å²	112	104.2 Å²	104.2	68%	0.679	53%	0.528	S	S	*	.			trans	-51.8	108	166.8	176.1	0	0	0	0	102.7	K6 M10	K6-V8 PolarHBondContact O-N 2.84Å; V8-M10 PolarHBondContact O-N 3.42Å
9	K	49.2	Very low	68.1	Low	202 Å²	202	98.8 Å²	98.8	88%	0.878	50%	0.5	S	S	*	.			trans	-57.1	99.2	173.5	-97.7	-176.2	172.2	179.9	0	104.8	K7 S11	K7-K9 VanDerWaalsContact C-N 3.3Å; K7-K9 PolarHBondContact O-N 3.48Å; K9-S11 PolarHBondContact O-N 2.89Å
10	M	59.5	Low	69.6	Low	134 Å²	134	93.9 Å²	93.9	66%	0.66	48%	0.475	S	S	*	.			trans	-55.7	131.4	174.6	-73.1	-68.5	-117.2	0	0	106.3	V8 E12	V8-M10 PolarHBondContact O-N 3.42Å; M10-E12 PolarHBondContact O-N 3.06Å; M10-E12 VanDerWaalsContact O-N 3.15Å
11	S	78.3	Confident	70.9	Confident	66 Å²	66	89.4 Å²	89.4	46%	0.462	45%	0.453	S	S	.	.			trans	-60.1	122	179.1	175.3	0	0	0	0	108.5	K9 S13 K171	K9-S11 PolarHBondContact O-N 2.89Å; S11-S13 PolarHBondContact O-N 3.27Å; S11-S13 PolarHBondContact OG-N 3.48Å; S11-K171 VanDerWaalsContact O-CE 3.25Å; S11-K171 WeakPolarHBondContact O-CE 3.34Å
12	E	88.3	Confident	73.6	Confident	70 Å²	70	78 Å²	78	33%	0.327	40%	0.396	S	S	.	.			trans	-78.3	1.4	176.6	-56.6	176.1	123.3	0	0	112.1	M10 S173 T174 R285	M10-E12 PolarHBondContact O-N 3.06Å; M10-E12 VanDerWaalsContact O-N 3.15Å; E12-S173 PolarHBondContact OE1-OG 3.12Å; E12-T174 WeakPolarHBondContact O-CB 3.02Å; E12-T174 PolarHBondContact O-OG1 3.12Å; E12-R285 IonicContact OE2-CZ 3.57Å; E12-R285 IonicContact OE2-NE 3.53Å; E12-R285 IonicContact OE2-NH2 2.6Å; E12-R285 PolarHBondContact OE2-NH2 3.2Å
13	S	95.1	Very high	76.5	Confident	25 Å²	25	68.7 Å²	68.7	18%	0.175	35%	0.353	C	S	.	.			trans	-91.8	129.7	-175.4	-59.1	0	0	0	0	111.6	S11 K171 I284	S11-S13 PolarHBondContact O-N 3.27Å; S11-S13 PolarHBondContact OG-N 3.48Å; S13-K171 WeakPolarHBondContact O-CD 3.47Å; S13-K171 WeakPolarHBondContact O-CE 3.25Å; S13-K171 PolarHBondContact O-NZ 2.96Å; S13-I284 CarbonylContact C-O 3.58Å; S13-I284 WeakPolarHBondContact CA-O 3.29Å; S13-I284 WeakPolarHBondContact CB-O 3.35Å
14	I	97.9	Very high	79.3	Confident	0 Å²	0	62.7 Å²	62.7	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	127.2	170.7	-59	174.7	0	0	0	108.1	L16 D54 I169 K171 T174 L176 K283 I284	I14-L16 HydrophobicContact CG2-CD2 3.82Å; I14-L16 HydrophobicContact CG2-CG 4.01Å; I14-D54 WeakPolarHBondContact CA-OD2 3.24Å; I14-I169 HydrophobicContact CD1-CG2 4.33Å; I14-K171 HydrophobicContact CD1-CB 4.23Å; I14-K171 HydrophobicContact CG1-CB 3.58Å; I14-K171 HydrophobicContact CG1-CD 4.23Å; I14-T174 HydrophobicContact CD1-CG2 3.88Å; I14-T174 HydrophobicContact CG1-CG2 4.1Å; I14-L176 HydrophobicContact CD1-CB 3.67Å; I14-L176 HydrophobicContact CD1-CD2 4.4Å; I14-L176 HydrophobicContact CG2-CD2 4.25Å; I14-K283 CarbonylContact O-C 3.56Å; I14-K283 WeakPolarHBondContact O-CA 3.31Å; I14-I284 HydrophobicContact CB-CB 4.47Å; I14-I284 PolarHBondContact N-O 3.37Å; I14-I284 PolarHBondContact O-N 3.01Å
15	K	98.1	Very high	82.1	Confident	67 Å²	67	57.7 Å²	57.7	29%	0.291	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	118.5	176.9	-62.4	-174.4	-178.6	177	0	109.6	V53 D54 A55 L281 V282 K283	K15-V53 HydrophobicContact CB-CB 4.41Å; K15-D54 PolarHBondContact N-OD2 2.93Å; K15-D54 WeakPolarHBondContact O-CB 3.42Å; K15-D54 PolarHBondContact O-N 2.89Å; K15-A55 PolarHBondContact O-N 2.66Å; K15-L281 HydrophobicContact CB-CD1 4.4Å; K15-V282 CarbonylContact C-O 3.54Å; K15-V282 WeakPolarHBondContact CA-O 3.44Å; K15-K283 HydrophobicContact CG-CG 4.33Å
16	L	98.6	Very high	84.6	Confident	2 Å²	2	51.5 Å²	51.5	1%	0.01	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	131.6	178.4	-55.6	173.4	0	0	0	108.8	I14 A55 L57 L176 I210 L281 V282 I284	I14-L16 HydrophobicContact CG2-CD2 3.82Å; I14-L16 HydrophobicContact CG2-CG 4.01Å; L16-A55 WeakPolarHBondContact CA-O 3.23Å; L16-A55 HydrophobicContact CD2-CB 4.01Å; L16-L57 HydrophobicContact CD1-CD1 3.87Å; L16-L57 HydrophobicContact CD2-CG 4.48Å; L16-L176 HydrophobicContact CD1-CD2 3.79Å; L16-L176 HydrophobicContact CD2-CD2 4.45Å; L16-I210 HydrophobicContact CD1-CD1 3.77Å; L16-L281 CarbonylContact O-C 3.52Å; L16-L281 WeakPolarHBondContact O-CA 3.32Å; L16-V282 PolarHBondContact N-O 2.88Å; L16-V282 PolarHBondContact O-N 3.41Å; L16-I284 HydrophobicContact CD1-CD1 3.76Å
17	L	98.8	Very high	87.2	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	132.7	162	-162.6	67.7	0	0	0	107.9	I44 I47 A48 V53 A55 L56 L57 I279 S280 L281 I294	L17-I44 HydrophobicContact CD2-CG2 4.1Å; L17-I44 WeakPolarHBondContact CD2-O 3.25Å; L17-I47 HydrophobicContact CD1-CG2 4.3Å; L17-I47 HydrophobicContact CD2-CB 4.45Å; L17-I47 HydrophobicContact CD2-CG2 4.15Å; L17-A48 HydrophobicContact CD2-CB 3.6Å; L17-V53 HydrophobicContact CB-CB 4.49Å; L17-V53 HydrophobicContact CB-CG1 4.1Å; L17-V53 HydrophobicContact CB-CG2 4.14Å; L17-A55 PolarHBondContact N-O 3.42Å; L17-L56 HydrophobicContact CB-CD1 4Å; L17-L56 HydrophobicContact CD2-CD1 4.23Å; L17-L56 HydrophobicContact CG-CD1 4.26Å; L17-L56 CarbonylContact O-C 3.57Å; L17-L56 WeakPolarHBondContact O-CA 3.4Å; L17-L56 WeakPolarHBondContact O-CD1 3.43Å; L17-L57 PolarHBondContact O-N 3.48Å; L17-I279 HydrophobicContact CD1-CD1 3.86Å; L17-I279 HydrophobicContact CD1-CG1 4.23Å; L17-I279 HydrophobicContact CD2-CD1 3.83Å; L17-I279 HydrophobicContact CG-CD1 4.05Å; L17-S280 CarbonylContact C-O 3.46Å; L17-S280 WeakPolarHBondContact CA-O 3.28Å; L17-L281 HydrophobicContact CD1-CB 4.25Å; L17-I294 HydrophobicContact CD1-CD1 4.3Å
18	I	98.8	Very high	89.7	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	126.8	-177.5	-58	164.7	0	0	0	108.5	L57 I239 M259 P261 I279 S280 V282	I18-L57 HydrophobicContact CG1-CB 4.48Å; I18-I239 HydrophobicContact CD1-CD1 3.47Å; I18-I239 VanDerWaalsContact CD1-CD1 3.47Å; I18-I239 HydrophobicContact CD1-CG1 4.14Å; I18-I239 HydrophobicContact CG1-CD1 3.96Å; I18-I239 HydrophobicContact CG2-CD1 4.03Å; I18-I239 HydrophobicContact CG2-CG1 4.45Å; I18-I239 HydrophobicContact CG2-CG2 3.63Å; I18-M259 HydrophobicContact CD1-CE 4.39Å; I18-P261 HydrophobicContact CG2-CG 3.95Å; I18-I279 WeakPolarHBondContact O-CB 3.25Å; I18-S280 PolarHBondContact N-O 3.15Å; I18-S280 PolarHBondContact O-N 2.84Å; I18-V282 HydrophobicContact CD1-CB 3.89Å; I18-V282 HydrophobicContact CD1-CG2 3.37Å; I18-V282 HydrophobicContact CG1-CG2 4.49Å
19	A	98.7	Very high	92.1	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.008	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	156.9	169.3	0	0	0	0	0	109.5	I22 I44 L57 L58 G59 T264 I279	A19-I22 HydrophobicContact CB-CD1 3.96Å; A19-I44 HydrophobicContact CB-CD1 4.21Å; A19-I44 HydrophobicContact CB-CG2 4.27Å; A19-L57 PolarHBondContact N-O 3.35Å; A19-L57 VanDerWaalsContact O-O 3.11Å; A19-L58 HydrophobicContact CB-CD2 4.11Å; A19-L58 VanDerWaalsContact O-CA 3.27Å; A19-L58 WeakPolarHBondContact O-CA 3.4Å; A19-G59 PolarHBondContact O-N 2.77Å; A19-T264 HydrophobicContact CB-CG2 4.44Å; A19-I279 HydrophobicContact CB-CG2 3.84Å
20	T	98.1	Very high	94.3	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.177	C	C	.	.	B	Isolated β-bridge	trans	-144.8	159.4	177.4	-164.7	0	0	0	0	108.9	I22 G59 G241 P261 G262	T20-I22 PolarHBondContact O-N 3.19Å; T20-G59 WeakPolarHBondContact OG1-CA 3.45Å; T20-G59 PolarHBondContact OG1-O 3.24Å; T20-G241 VanDerWaalsContact OG1-CA 3.24Å; T20-G241 WeakPolarHBondContact OG1-CA 3.44Å; T20-P261 HydrophobicContact CG2-CB 3.85Å; T20-P261 HydrophobicContact CG2-CG 4.2Å; T20-G262 VanDerWaalsContact CG2-O 3.25Å; T20-G262 WeakPolarHBondContact CG2-O 3.43Å
21	D	98.3	Very high	95.9	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	18%	0.179	C	C	.	.			trans	54.9	57.6	167.8	-59.1	-102.9	0	0	0	111.6	G60 D61 H214 H242 H244 S263 T264	D21-G60 PolarHBondContact N-O 3.47Å; D21-D61 HydrophobicContact CB-CB 4.43Å; D21-H214 IonicContact OD1-CE1 2.8Å; D21-H214 PolarHBondContact OD1-CE1 3.13Å; D21-H214 IonicContact OD2-CE1 3.72Å; D21-H242 VanDerWaalsContact OD1-CA 3.28Å; D21-H242 WeakPolarHBondContact OD1-CA 3.48Å; D21-H242 PolarHBondContact OD1-N 3.04Å; D21-H242 PolarHBondContact OD2-N 3.05Å; D21-H244 IonicContact OD1-CD2 3.4Å; D21-S263 WeakPolarHBondContact O-CA 3.38Å; D21-T264 PolarHBondContact O-N 3.39Å
22	I	98.7	Very high	96.8	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.005	17%	0.173	C	C	.	.			trans	-73.2	-38.5	-179.7	-52.1	-56.8	0	0	0	110.9	A19 T20 L24 F41 I44 L58 D61 L62 T264	A19-I22 HydrophobicContact CB-CD1 3.96Å; T20-I22 PolarHBondContact O-N 3.19Å; I22-L24 HydrophobicContact CG2-CD2 4.06Å; I22-L24 HydrophobicContact CG2-CG 3.93Å; I22-L24 PolarHBondContact O-N 2.72Å; I22-F41 HydrophobicContact CG1-CD2 4.37Å; I22-F41 HydrophobicContact CG2-CB 3.83Å; I22-F41 HydrophobicContact CG2-CD2 3.92Å; I22-F41 HydrophobicContact CG2-CG 4.05Å; I22-I44 HydrophobicContact CD1-CD1 3.78Å; I22-L58 HydrophobicContact CG1-CD2 4.44Å; I22-D61 PolarHBondContact N-O 3.18Å; I22-L62 HydrophobicContact CB-CD1 4.15Å; I22-L62 HydrophobicContact CG1-CD1 4.1Å; I22-L62 HydrophobicContact CG2-CD1 4.38Å; I22-T264 WeakPolarHBondContact CA-OG1 3.18Å; I22-T264 HydrophobicContact CD1-CG2 3.59Å
23	H	98.1	Very high	97.2	Very high	1 Å²	1	28.3 Å²	28.3	1%	0.005	16%	0.162	C	C	.	.			trans	51.4	52.1	-179.8	-65.7	-68.2	0	0	0	114	G25 F26 S37 D61 L62 H64 H130 H244 T267	H23-G25 PolarHBondContact O-N 3Å; H23-F26 HydrophobicContact CB-CB 4.14Å; H23-F26 VanDerWaalsContact O-CB 3.26Å; H23-F26 WeakPolarHBondContact O-CB 3.46Å; H23-F26 PolarHBondContact O-N 2.78Å; H23-S37 VanDerWaalsContact O-CB 3.24Å; H23-S37 WeakPolarHBondContact O-CB 3.41Å; H23-S37 PolarHBondContact O-OG 3.17Å; H23-D61 IonicContact CE1-OD2 3.7Å; H23-D61 PolarHBondContact CE1-OD2 2.88Å; H23-D61 VanDerWaalsContact CE1-OD2 3.26Å; H23-D61 PolarHBondContact N-O 3.38Å; H23-D61 IonicContact NE2-OD2 3.07Å; H23-L62 PolarHBondContact N-O 3.48Å; H23-H64 HydrophobicContact CB-CB 3.96Å; H23-H64 AromaticContact ND1-ND1 3.55Å; H23-H130 AromaticContact CE1-CD2 3.69Å; H23-H130 AromaticContact CE1-CG 4Å; H23-H244 AromaticContact NE2-CE1 3.88Å; H23-H244 AromaticContact NE2-NE2 3.38Å; H23-H244 PolarHBondContact NE2-NE2 3.1Å; H23-T267 HydrophobicContact CB-CG2 3.98Å; H23-T267 VanDerWaalsContact CD2-CG2 3.42Å; H23-T267 WeakPolarHBondContact CD2-CG2 3.24Å
24	L	98.6	Very high	97.3	Very high	2 Å²	2	33.1 Å²	33.1	1%	0.01	18%	0.177	C	C	.	.	B	Isolated β-bridge	trans	-53.4	128	170.4	-69.9	177.6	0	0	0	110.4	I22 F41 L62 F63 H64 V72 C76	I22-L24 HydrophobicContact CG2-CD2 4.06Å; I22-L24 HydrophobicContact CG2-CG 3.93Å; I22-L24 PolarHBondContact O-N 2.72Å; L24-F41 HydrophobicContact CD1-CD1 3.88Å; L24-F41 HydrophobicContact CD1-CE1 4.11Å; L24-F41 HydrophobicContact CD1-CG 4.43Å; L24-F41 HydrophobicContact CD2-CB 3.8Å; L24-F41 HydrophobicContact CD2-CD1 4.08Å; L24-F41 HydrophobicContact CD2-CG 4.15Å; L24-F41 HydrophobicContact CG-CD1 4.47Å; L24-L62 VanDerWaalsContact CB-O 3.32Å; L24-L62 WeakPolarHBondContact CB-O 3.38Å; L24-L62 HydrophobicContact CD1-CD1 3.76Å; L24-L62 HydrophobicContact CD1-CG 4.17Å; L24-L62 HydrophobicContact CG-CD1 4.29Å; L24-L62 WeakPolarHBondContact CG-O 3.3Å; L24-L62 PolarHBondContact N-O 3.28Å; L24-F63 HydrophobicContact CB-CD1 3.92Å; L24-F63 HydrophobicContact CB-CE1 4.35Å; L24-F63 HydrophobicContact CD1-CE1 4.21Å; L24-H64 PolarHBondContact O-N 3.16Å; L24-V72 HydrophobicContact CB-CG1 3.86Å; L24-C76 HydrophobicContact CD1-CB 3.8Å
25	G	97.8	Very high	97.2	Very high	4 Å²	4	36.6 Å²	36.6	4%	0.041	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	91.8	-1.4	-176.4	0	0	0	0	0	115	H23 A27 E28 S37 V72	H23-G25 PolarHBondContact O-N 3Å; G25-A27 PolarHBondContact O-N 2.73Å; G25-E28 WeakPolarHBondContact O-CB 3.26Å; G25-E28 PolarHBondContact O-N 2.97Å; G25-S37 PolarHBondContact N-OG 3.34Å; G25-V72 VanDerWaalsContact CA-CG2 3.45Å
26	F	97.8	Very high	97.2	Very high	21 Å²	21	33.9 Å²	33.9	9%	0.092	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57	131.3	172.6	177.6	-93.7	0	0	0	111.5	H23 E28 H64 I265 T267	H23-F26 HydrophobicContact CB-CB 4.14Å; H23-F26 VanDerWaalsContact O-CB 3.26Å; H23-F26 WeakPolarHBondContact O-CB 3.46Å; H23-F26 PolarHBondContact O-N 2.78Å; F26-E28 VanDerWaalsContact C-N 3.27Å; F26-E28 PolarHBondContact O-N 3.49Å; F26-H64 HydrophobicContact CB-CB 4.08Å; F26-H64 AromaticContact CD2-CE1 3.58Å; F26-H64 AromaticContact CD2-ND1 3.73Å; F26-H64 AromaticContact CD2-NE2 3.72Å; F26-I265 HydrophobicContact CB-CD1 3.74Å; F26-I265 HydrophobicContact CD1-CD1 3.69Å; F26-I265 HydrophobicContact CG-CD1 3.91Å; F26-T267 HydrophobicContact CD1-CG2 4.49Å; F26-T267 HydrophobicContact CD2-CG2 3.83Å; F26-T267 HydrophobicContact CE2-CG2 4.18Å; F26-T267 WeakPolarHBondContact CE2-O 3.46Å; F26-T267 HydrophobicContact CG-CG2 4Å; F26-T267 WeakPolarHBondContact CZ-O 3Å
27	A	95.8	Very high	97.2	Very high	23 Å²	23	33.8 Å²	33.8	19%	0.19	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.5	35	-178.3	0	0	0	0	0	114.5	G25 T29 D30 R33 R34	G25-A27 PolarHBondContact O-N 2.73Å; A27-T29 PolarHBondContact O-N 2.66Å; A27-T29 VanDerWaalsContact O-N 3.08Å; A27-D30 HydrophobicContact CB-CB 3.97Å; A27-D30 VanDerWaalsContact O-CB 3.27Å; A27-D30 WeakPolarHBondContact O-CB 3.45Å; A27-D30 PolarHBondContact O-N 3.18Å; A27-R33 HydrophobicContact CB-CB 4.03Å; A27-R34 VanDerWaalsContact O-CA 3.3Å; A27-R34 WeakPolarHBondContact O-CA 3.44Å
28	E	94.6	Very high	97.2	Very high	70 Å²	70	34.4 Å²	34.4	33%	0.327	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-31.4	-177.6	-174.7	178	-167.5	0	0	114.3	G25 F26 R34 S69 V72	G25-E28 WeakPolarHBondContact O-CB 3.26Å; G25-E28 PolarHBondContact O-N 2.97Å; F26-E28 VanDerWaalsContact C-N 3.27Å; F26-E28 PolarHBondContact O-N 3.49Å; E28-R34 VanDerWaalsContact O-CB 3.27Å; E28-R34 WeakPolarHBondContact O-CB 3.36Å; E28-S69 VanDerWaalsContact CD-OG 3.27Å; E28-S69 WeakPolarHBondContact OE1-CB 3.32Å; E28-S69 PolarHBondContact OE1-OG 2.91Å; E28-S69 VanDerWaalsContact OE2-CB 3.23Å; E28-S69 WeakPolarHBondContact OE2-CB 3.26Å; E28-S69 PolarHBondContact OE2-OG 3.35Å; E28-V72 HydrophobicContact CG-CG2 4.36Å
29	T	95	Very high	97.2	Very high	144 Å²	144	37.8 Å²	37.8	88%	0.883	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.8	-8.6	178.4	60.6	0	0	0	0	114	A27	A27-T29 PolarHBondContact O-N 2.66Å; A27-T29 VanDerWaalsContact O-N 3.08Å
30	D	95.5	Very high	97.2	Very high	44 Å²	44	37.7 Å²	37.7	24%	0.235	21%	0.205	C	C	.	.			trans	-82.7	121.4	-178.2	-173.5	-58.1	0	0	0	110.3	A27 V32 R33 R34	A27-D30 HydrophobicContact CB-CB 3.97Å; A27-D30 VanDerWaalsContact O-CB 3.27Å; A27-D30 WeakPolarHBondContact O-CB 3.45Å; A27-D30 PolarHBondContact O-N 3.18Å; D30-V32 PolarHBondContact O-N 2.96Å; D30-V32 VanDerWaalsContact O-N 3.14Å; D30-V32 WeakPolarHBondContact OD1-CA 3.39Å; D30-V32 WeakPolarHBondContact OD1-CB 3.45Å; D30-V32 PolarHBondContact OD1-N 3.25Å; D30-R33 HydrophobicContact CB-CB 4.13Å; D30-R33 PolarHBondContact O-N 3.39Å; D30-R33 PolarHBondContact OD1-N 3.08Å; D30-R34 WeakPolarHBondContact O-CB 3Å; D30-R34 VanDerWaalsContact O-CG 3.29Å; D30-R34 WeakPolarHBondContact O-CG 3.44Å; D30-R34 PolarHBondContact O-N 2.98Å
31	P	94.2	Very high	97.2	Very high	107 Å²	107	37.7 Å²	37.7	70%	0.695	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-18.8	-175.7	27.7	-35.3	0	0	0	114
32	V	96.1	Very high	97.2	Very high	56 Å²	56	39.7 Å²	39.7	34%	0.339	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.8	-40	-178.8	-180	0	0	0	0	111.3	D30 R300 L351 A381	D30-V32 PolarHBondContact O-N 2.96Å; D30-V32 VanDerWaalsContact O-N 3.14Å; D30-V32 WeakPolarHBondContact OD1-CA 3.39Å; D30-V32 WeakPolarHBondContact OD1-CB 3.45Å; D30-V32 PolarHBondContact OD1-N 3.25Å; V32-R300 PolarHBondContact O-NH2 3Å; V32-L351 HydrophobicContact CG1-CB 4.39Å; V32-L351 HydrophobicContact CG1-CD1 4.01Å; V32-L351 HydrophobicContact CG2-CD1 4.4Å; V32-A381 HydrophobicContact CG1-CB 3.74Å
33	R	96.8	Very high	97.2	Very high	26 Å²	26	40.7 Å²	40.7	10%	0.098	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.5	-13.4	-168.7	-60.6	174.3	70.2	-168.1	7.4	115.1	A27 D30 D35 D36 A266 A381	A27-R33 HydrophobicContact CB-CB 4.03Å; D30-R33 HydrophobicContact CB-CB 4.13Å; D30-R33 PolarHBondContact O-N 3.39Å; D30-R33 PolarHBondContact OD1-N 3.08Å; R33-D35 PolarHBondContact O-N 3.05Å; R33-D36 WeakPolarHBondContact O-CB 3.25Å; R33-D36 VanDerWaalsContact O-CG 3.32Å; R33-D36 PolarHBondContact O-N 3.43Å; R33-A266 PolarHBondContact NH2-O 3.24Å; R33-A381 HydrophobicContact CG-CB 4.15Å
34	R	96.6	Very high	97.2	Very high	127 Å²	127	40.7 Å²	40.7	48%	0.479	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.6	-32.6	-173.7	60.9	179.1	-166.4	-162	-3.2	115.6	A27 E28 D30	A27-R34 VanDerWaalsContact O-CA 3.3Å; A27-R34 WeakPolarHBondContact O-CA 3.44Å; E28-R34 VanDerWaalsContact O-CB 3.27Å; E28-R34 WeakPolarHBondContact O-CB 3.36Å; D30-R34 WeakPolarHBondContact O-CB 3Å; D30-R34 VanDerWaalsContact O-CG 3.29Å; D30-R34 WeakPolarHBondContact O-CG 3.44Å; D30-R34 PolarHBondContact O-N 2.98Å
35	D	97.1	Very high	97.3	Very high	72 Å²	72	40.6 Å²	40.6	39%	0.385	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.7	-3.2	-173.8	-62.9	-50.6	0	0	0	112.6	R33 S37 T38 N39	R33-D35 PolarHBondContact O-N 3.05Å; D35-S37 PolarHBondContact O-N 3.07Å; D35-T38 PolarHBondContact O-N 3.12Å; D35-N39 WeakPolarHBondContact O-CB 3.39Å; D35-N39 PolarHBondContact O-N 3.2Å; D35-N39 PolarHBondContact O-ND2 2.89Å
36	D	98.1	Very high	97.3	Very high	10 Å²	10	45.4 Å²	45.4	5%	0.053	24%	0.238	C	C	.	.	H	α-helix	trans	-60.3	-48.2	-173.1	-73.5	-5	0	0	0	112.5	R33 T40 I265 R300	R33-D36 WeakPolarHBondContact O-CB 3.25Å; R33-D36 VanDerWaalsContact O-CG 3.32Å; R33-D36 PolarHBondContact O-N 3.43Å; D36-T40 WeakPolarHBondContact O-CB 3.4Å; D36-T40 PolarHBondContact O-N 2.95Å; D36-T40 VanDerWaalsContact O-N 3.14Å; D36-T40 PolarHBondContact O-OG1 3.2Å; D36-I265 HydrophobicContact CB-CG2 4.38Å; D36-R300 IonicContact OD1-CZ 2.8Å; D36-R300 IonicContact OD1-NE 3.77Å; D36-R300 PolarHBondContact OD1-NE 3.36Å; D36-R300 IonicContact OD1-NH2 2.72Å; D36-R300 PolarHBondContact OD1-NH2 2.92Å; D36-R300 IonicContact OD2-CZ 3.95Å; D36-R300 IonicContact OD2-NE 2.89Å; D36-R300 PolarHBondContact OD2-NE 3.43Å; D36-R300 IonicContact OD2-NH2 3.96Å; D36-R300 PolarHBondContact OD2-NH2 3.23Å
37	S	98.3	Very high	97.3	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-64.9	-42.7	179.1	52.3	0	0	0	0	111.7	H23 G25 D35 T40 F41	H23-S37 VanDerWaalsContact O-CB 3.24Å; H23-S37 WeakPolarHBondContact O-CB 3.41Å; H23-S37 PolarHBondContact O-OG 3.17Å; G25-S37 PolarHBondContact N-OG 3.34Å; D35-S37 PolarHBondContact O-N 3.07Å; S37-T40 PolarHBondContact O-N 3.49Å; S37-F41 WeakPolarHBondContact O-CB 3.46Å; S37-F41 PolarHBondContact O-N 3.35Å
38	T	98.3	Very high	97.5	Very high	14 Å²	14	44.4 Å²	44.4	9%	0.086	23%	0.23	C	C	.	.	H	α-helix	trans	-65.5	-47.7	-179.9	-66.1	0	0	0	0	111.9	D35 T40 F41 E42 K75 L79	D35-T38 PolarHBondContact O-N 3.12Å; T38-T40 VanDerWaalsContact C-N 3.28Å; T38-T40 PolarHBondContact O-N 2.85Å; T38-F41 PolarHBondContact O-N 3.27Å; T38-E42 PolarHBondContact O-N 3.31Å; T38-K75 HydrophobicContact CG2-CD 4.05Å; T38-K75 VanDerWaalsContact CG2-CE 3.46Å; T38-K75 HydrophobicContact CG2-CG 3.38Å; T38-L79 HydrophobicContact CG2-CD1 4.1Å
39	N	98.1	Very high	97.6	Very high	70 Å²	70	42.6 Å²	42.6	37%	0.374	22%	0.224	S	C	.	.	H	α-helix	trans	-62.6	-39.6	179.8	-69.6	-23.7	0	0	0	111.1	D35 E42 E43	D35-N39 WeakPolarHBondContact O-CB 3.39Å; D35-N39 PolarHBondContact O-N 3.2Å; D35-N39 PolarHBondContact O-ND2 2.89Å; N39-E42 PolarHBondContact O-N 2.87Å; N39-E43 PolarHBondContact O-N 2.98Å
40	T	98.5	Very high	97.7	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-70.4	-37.8	178	-51.5	0	0	0	0	112.6	D36 S37 T38 E43 I44 I265 L296 T298	D36-T40 WeakPolarHBondContact O-CB 3.4Å; D36-T40 PolarHBondContact O-N 2.95Å; D36-T40 VanDerWaalsContact O-N 3.14Å; D36-T40 PolarHBondContact O-OG1 3.2Å; S37-T40 PolarHBondContact O-N 3.49Å; T38-T40 VanDerWaalsContact C-N 3.28Å; T38-T40 PolarHBondContact O-N 2.85Å; T40-E43 WeakPolarHBondContact O-CB 3.44Å; T40-E43 PolarHBondContact O-N 3.39Å; T40-I44 HydrophobicContact CG2-CD1 4.32Å; T40-I44 WeakPolarHBondContact O-CD1 3.49Å; T40-I44 VanDerWaalsContact O-CG1 3.25Å; T40-I44 WeakPolarHBondContact O-CG1 3.42Å; T40-I44 PolarHBondContact O-N 3.38Å; T40-I265 HydrophobicContact CG2-CG2 4.43Å; T40-L296 HydrophobicContact CG2-CB 4.45Å; T40-L296 HydrophobicContact CG2-CD1 3.69Å; T40-L296 HydrophobicContact CG2-CD2 4.28Å; T40-L296 HydrophobicContact CG2-CG 4.37Å; T40-T298 WeakPolarHBondContact CA-OG1 3.4Å; T40-T298 WeakPolarHBondContact CB-OG1 3.48Å; T40-T298 PolarHBondContact N-OG1 2.95Å; T40-T298 PolarHBondContact OG1-OG1 2.85Å; T40-T298 VanDerWaalsContact OG1-OG1 3.06Å
41	F	98.8	Very high	97.8	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-65.2	-40.3	172.1	-172.9	-128.6	0	0	0	112.7	I22 L24 S37 T38 I44 L45 L62 L79 L80	I22-F41 HydrophobicContact CG1-CD2 4.37Å; I22-F41 HydrophobicContact CG2-CB 3.83Å; I22-F41 HydrophobicContact CG2-CD2 3.92Å; I22-F41 HydrophobicContact CG2-CG 4.05Å; L24-F41 HydrophobicContact CD1-CD1 3.88Å; L24-F41 HydrophobicContact CD1-CE1 4.11Å; L24-F41 HydrophobicContact CD1-CG 4.43Å; L24-F41 HydrophobicContact CD2-CB 3.8Å; L24-F41 HydrophobicContact CD2-CD1 4.08Å; L24-F41 HydrophobicContact CD2-CG 4.15Å; L24-F41 HydrophobicContact CG-CD1 4.47Å; S37-F41 WeakPolarHBondContact O-CB 3.46Å; S37-F41 PolarHBondContact O-N 3.35Å; T38-F41 PolarHBondContact O-N 3.27Å; F41-I44 PolarHBondContact O-N 3.46Å; F41-L45 HydrophobicContact CD1-CD1 3.98Å; F41-L45 HydrophobicContact CD2-CG 4.48Å; F41-L45 HydrophobicContact CE1-CD1 3.66Å; F41-L45 HydrophobicContact CE1-CG 4.42Å; F41-L45 HydrophobicContact CE2-CD1 4.28Å; F41-L45 HydrophobicContact CE2-CD2 4.38Å; F41-L45 HydrophobicContact CE2-CG 4.16Å; F41-L45 HydrophobicContact CG-CD1 4.42Å; F41-L45 HydrophobicContact CZ-CD1 3.82Å; F41-L45 HydrophobicContact CZ-CD2 4.24Å; F41-L45 HydrophobicContact CZ-CG 4.13Å; F41-L45 WeakPolarHBondContact O-CG 3.36Å; F41-L45 PolarHBondContact O-N 3.29Å; F41-L62 HydrophobicContact CD2-CD1 4.49Å; F41-L62 HydrophobicContact CE1-CD1 4.5Å; F41-L62 HydrophobicContact CE2-CD1 4.03Å; F41-L62 HydrophobicContact CZ-CD1 4.03Å; F41-L79 HydrophobicContact CD1-CB 4.41Å; F41-L79 HydrophobicContact CD1-CD1 3.8Å; F41-L79 HydrophobicContact CE1-CB 4.39Å; F41-L80 HydrophobicContact CE1-CD2 4.45Å; F41-L80 HydrophobicContact CE1-CG 4.41Å; F41-L80 HydrophobicContact CZ-CD2 4.01Å; F41-L80 HydrophobicContact CZ-CG 4.42Å
42	E	98.8	Very high	98	Very high	41 Å²	41	45 Å²	45	19%	0.192	21%	0.212	C	C	.	.	H	α-helix	trans	-61.1	-42.5	172.9	178.4	154.7	-154.4	0	0	111.9	T38 N39 I44 L45 K46 L79 K82 Y83	T38-E42 PolarHBondContact O-N 3.31Å; N39-E42 PolarHBondContact O-N 2.87Å; E42-I44 PolarHBondContact O-N 3.35Å; E42-L45 PolarHBondContact O-N 2.8Å; E42-K46 VanDerWaalsContact O-CB 3.31Å; E42-K46 WeakPolarHBondContact O-CB 3.35Å; E42-K46 PolarHBondContact O-N 3.5Å; E42-L79 HydrophobicContact CB-CD1 4.13Å; E42-L79 HydrophobicContact CB-CD2 3.66Å; E42-L79 VanDerWaalsContact CD-CD2 3.5Å; E42-L79 HydrophobicContact CG-CD2 3.76Å; E42-K82 IonicContact OE1-NZ 3.78Å; E42-K82 PolarHBondContact OE1-NZ 2.83Å; E42-Y83 HydrophobicContact CG-CE2 3.68Å; E42-Y83 WeakPolarHBondContact CG-OH 3.23Å; E42-Y83 WeakPolarHBondContact OE1-CE2 3.18Å; E42-Y83 PolarHBondContact OE1-OH 2.87Å
43	E	98.7	Very high	98.1	Very high	23 Å²	23	42.4 Å²	42.4	11%	0.107	20%	0.195	C	C	.	.	H	α-helix	trans	-57.1	-48.1	173.3	176.4	177	-151.1	0	0	111.5	N39 T40 L45 K46 I47 L296 Q297 T298	N39-E43 PolarHBondContact O-N 2.98Å; T40-E43 WeakPolarHBondContact O-CB 3.44Å; T40-E43 PolarHBondContact O-N 3.39Å; E43-L45 PolarHBondContact O-N 3.27Å; E43-K46 WeakPolarHBondContact O-CB 3.36Å; E43-K46 PolarHBondContact O-N 3.21Å; E43-I47 HydrophobicContact CG-CD1 3.69Å; E43-I47 HydrophobicContact CG-CG1 4.31Å; E43-I47 VanDerWaalsContact O-CG1 3.3Å; E43-I47 WeakPolarHBondContact O-CG1 3.34Å; E43-I47 PolarHBondContact O-N 3.15Å; E43-L296 HydrophobicContact CG-CD2 4.3Å; E43-L296 WeakPolarHBondContact OE2-CA 3.4Å; E43-Q297 VanDerWaalsContact CD-N 3.26Å; E43-Q297 VanDerWaalsContact OE1-CB 3.24Å; E43-Q297 WeakPolarHBondContact OE1-CB 3.33Å; E43-Q297 PolarHBondContact OE1-N 3.28Å; E43-Q297 PolarHBondContact OE2-N 2.97Å; E43-T298 HydrophobicContact CB-CG2 4.05Å; E43-T298 PolarHBondContact OE2-N 3.29Å; E43-T298 PolarHBondContact OE2-OG1 2.78Å
44	I	98.9	Very high	98.1	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-59.9	-47.1	-179.8	-67.9	163.6	0	0	0	111.2	L17 A19 I22 T40 F41 E42 K46 I47 A48 L56 T264 I279 L296	L17-I44 HydrophobicContact CD2-CG2 4.1Å; L17-I44 WeakPolarHBondContact CD2-O 3.25Å; A19-I44 HydrophobicContact CB-CD1 4.21Å; A19-I44 HydrophobicContact CB-CG2 4.27Å; I22-I44 HydrophobicContact CD1-CD1 3.78Å; T40-I44 HydrophobicContact CG2-CD1 4.32Å; T40-I44 WeakPolarHBondContact O-CD1 3.49Å; T40-I44 VanDerWaalsContact O-CG1 3.25Å; T40-I44 WeakPolarHBondContact O-CG1 3.42Å; T40-I44 PolarHBondContact O-N 3.38Å; F41-I44 PolarHBondContact O-N 3.46Å; E42-I44 PolarHBondContact O-N 3.35Å; I44-K46 VanDerWaalsContact C-N 3.32Å; I44-K46 PolarHBondContact O-N 3.2Å; I44-I47 PolarHBondContact O-N 2.77Å; I44-A48 WeakPolarHBondContact O-CB 3.34Å; I44-A48 PolarHBondContact O-N 2.94Å; I44-L56 HydrophobicContact CG2-CD1 4.09Å; I44-L56 HydrophobicContact CG2-CD2 4.38Å; I44-T264 HydrophobicContact CD1-CG2 3.71Å; I44-I279 HydrophobicContact CD1-CG2 4.13Å; I44-I279 HydrophobicContact CG1-CD1 4.13Å; I44-I279 HydrophobicContact CG1-CG2 4.04Å; I44-I279 HydrophobicContact CG2-CD1 4.39Å; I44-L296 HydrophobicContact CD1-CD2 4.32Å; I44-L296 HydrophobicContact CG1-CD2 3.68Å
45	L	98.9	Very high	98.2	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-63.4	-39.3	178.1	-72.4	170.9	0	0	0	112.1	F41 E42 E43 A48 T49 L56 L79 L80 Y83	F41-L45 HydrophobicContact CD1-CD1 3.98Å; F41-L45 HydrophobicContact CD2-CG 4.48Å; F41-L45 HydrophobicContact CE1-CD1 3.66Å; F41-L45 HydrophobicContact CE1-CG 4.42Å; F41-L45 HydrophobicContact CE2-CD1 4.28Å; F41-L45 HydrophobicContact CE2-CD2 4.38Å; F41-L45 HydrophobicContact CE2-CG 4.16Å; F41-L45 HydrophobicContact CG-CD1 4.42Å; F41-L45 HydrophobicContact CZ-CD1 3.82Å; F41-L45 HydrophobicContact CZ-CD2 4.24Å; F41-L45 HydrophobicContact CZ-CG 4.13Å; F41-L45 WeakPolarHBondContact O-CG 3.36Å; F41-L45 PolarHBondContact O-N 3.29Å; E42-L45 PolarHBondContact O-N 2.8Å; E43-L45 PolarHBondContact O-N 3.27Å; L45-A48 PolarHBondContact O-N 2.87Å; L45-T49 WeakPolarHBondContact O-CB 3.45Å; L45-T49 PolarHBondContact O-N 2.67Å; L45-T49 PolarHBondContact O-OG1 2.84Å; L45-L56 HydrophobicContact CD2-CD2 3.86Å; L45-L79 HydrophobicContact CD1-CB 3.73Å; L45-L80 HydrophobicContact CD2-CD2 4.3Å; L45-Y83 HydrophobicContact CB-CD1 4.45Å; L45-Y83 HydrophobicContact CB-CD2 3.82Å; L45-Y83 HydrophobicContact CB-CG 3.76Å; L45-Y83 HydrophobicContact CD1-CD2 4.07Å
46	K	98.4	Very high	98.3	Very high	106 Å²	106	32 Å²	32	46%	0.461	15%	0.151	S	C	.	.	H	α-helix	trans	-64.2	-47	174.6	-174.5	178.8	178.5	-175.5	0	111.3	E42 E43 I44 A48 T49 D50 Y83	E42-K46 VanDerWaalsContact O-CB 3.31Å; E42-K46 WeakPolarHBondContact O-CB 3.35Å; E42-K46 PolarHBondContact O-N 3.5Å; E43-K46 WeakPolarHBondContact O-CB 3.36Å; E43-K46 PolarHBondContact O-N 3.21Å; I44-K46 VanDerWaalsContact C-N 3.32Å; I44-K46 PolarHBondContact O-N 3.2Å; K46-A48 VanDerWaalsContact C-N 3.33Å; K46-A48 PolarHBondContact O-N 2.81Å; K46-T49 PolarHBondContact O-N 2.77Å; K46-D50 WeakPolarHBondContact O-CB 3.44Å; K46-D50 VanDerWaalsContact O-CG 3.28Å; K46-D50 PolarHBondContact O-N 2.75Å; K46-Y83 HydrophobicContact CB-CE1 3.9Å; K46-Y83 HydrophobicContact CG-CE1 4.27Å
47	I	98.6	Very high	98.3	Very high	23 Å²	23	31.5 Å²	31.5	12%	0.118	15%	0.149	C	C	.	.	H	α-helix	trans	-58.6	-45.2	175.4	-68.6	166	0	0	0	110.5	L17 E43 I44 T49 D50 R51 I279 I294	L17-I47 HydrophobicContact CD1-CG2 4.3Å; L17-I47 HydrophobicContact CD2-CB 4.45Å; L17-I47 HydrophobicContact CD2-CG2 4.15Å; E43-I47 HydrophobicContact CG-CD1 3.69Å; E43-I47 HydrophobicContact CG-CG1 4.31Å; E43-I47 VanDerWaalsContact O-CG1 3.3Å; E43-I47 WeakPolarHBondContact O-CG1 3.34Å; E43-I47 PolarHBondContact O-N 3.15Å; I44-I47 PolarHBondContact O-N 2.77Å; I47-T49 VanDerWaalsContact C-N 3.28Å; I47-T49 PolarHBondContact O-N 3.37Å; I47-D50 PolarHBondContact O-N 2.77Å; I47-R51 HydrophobicContact CG2-CG 3.88Å; I47-R51 VanDerWaalsContact O-CB 3.23Å; I47-R51 WeakPolarHBondContact O-CB 3.03Å; I47-R51 WeakPolarHBondContact O-CG 3.3Å; I47-R51 PolarHBondContact O-N 3.39Å; I47-I279 HydrophobicContact CB-CD1 4.44Å; I47-I279 HydrophobicContact CD1-CD1 3.93Å; I47-I279 HydrophobicContact CG2-CD1 4.19Å; I47-I294 HydrophobicContact CD1-CG2 4.11Å; I47-I294 HydrophobicContact CG2-CD1 3.99Å
48	A	98.6	Very high	98.3	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-56.7	-44.2	177.7	0	0	0	0	0	112	L17 I44 L45 K46 K52 V53 L121	L17-A48 HydrophobicContact CD2-CB 3.6Å; I44-A48 WeakPolarHBondContact O-CB 3.34Å; I44-A48 PolarHBondContact O-N 2.94Å; L45-A48 PolarHBondContact O-N 2.87Å; K46-A48 VanDerWaalsContact C-N 3.33Å; K46-A48 PolarHBondContact O-N 2.81Å; A48-K52 PolarHBondContact O-N 3.45Å; A48-V53 HydrophobicContact CB-CG2 3.83Å; A48-V53 PolarHBondContact O-N 2.89Å; A48-V53 VanDerWaalsContact O-N 3.12Å; A48-L121 HydrophobicContact CB-CD1 4.14Å; A48-L121 HydrophobicContact CB-CD2 3.51Å; A48-L121 HydrophobicContact CB-CG 4.48Å
49	T	97.8	Very high	98.3	Very high	32 Å²	32	31 Å²	31	20%	0.196	15%	0.146	C	C	.	.	H	α-helix	trans	-67.9	-51.7	178.9	-54.9	0	0	0	0	111.3	L45 K46 I47 R51 K52 Y83 Y86	L45-T49 WeakPolarHBondContact O-CB 3.45Å; L45-T49 PolarHBondContact O-N 2.67Å; L45-T49 PolarHBondContact O-OG1 2.84Å; K46-T49 PolarHBondContact O-N 2.77Å; I47-T49 VanDerWaalsContact C-N 3.28Å; I47-T49 PolarHBondContact O-N 3.37Å; T49-R51 VanDerWaalsContact C-N 3.33Å; T49-R51 PolarHBondContact O-N 2.8Å; T49-K52 WeakPolarHBondContact O-CA 3.48Å; T49-K52 PolarHBondContact O-N 3Å; T49-Y83 PolarHBondContact OG1-O 2.88Å; T49-Y86 HydrophobicContact CG2-CE1 4.38Å
50	D	97.7	Very high	98.3	Very high	106 Å²	106	27.7 Å²	27.7	57%	0.567	13%	0.128	S	C	*	.	H	α-helix	trans	-62.8	-39.5	-177.6	-72	-12.2	0	0	0	111.7	K46 I47 K52	K46-D50 WeakPolarHBondContact O-CB 3.44Å; K46-D50 VanDerWaalsContact O-CG 3.28Å; K46-D50 PolarHBondContact O-N 2.75Å; I47-D50 PolarHBondContact O-N 2.77Å; D50-K52 PolarHBondContact O-N 2.79Å
51	R	97.6	Very high	98.3	Very high	101 Å²	101	27.7 Å²	27.7	38%	0.381	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-2.3	178	-56.6	-64.9	-90	-109.7	-2.8	113.1	I47 T49 V53 E292	I47-R51 HydrophobicContact CG2-CG 3.88Å; I47-R51 VanDerWaalsContact O-CB 3.23Å; I47-R51 WeakPolarHBondContact O-CB 3.03Å; I47-R51 WeakPolarHBondContact O-CG 3.3Å; I47-R51 PolarHBondContact O-N 3.39Å; T49-R51 VanDerWaalsContact C-N 3.33Å; T49-R51 PolarHBondContact O-N 2.8Å; R51-V53 VanDerWaalsContact C-N 3.3Å; R51-V53 HydrophobicContact CB-CG1 4.15Å; R51-V53 PolarHBondContact O-N 3.27Å; R51-E292 IonicContact CZ-OE1 3.68Å; R51-E292 IonicContact NH2-OE1 2.87Å; R51-E292 PolarHBondContact NH2-OE1 3.01Å; R51-E292 IonicContact NH2-OE2 3.56Å
52	K	96.6	Very high	98.3	Very high	139 Å²	139	27.8 Å²	27.8	60%	0.604	13%	0.129	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.6	51.7	179.8	-59	-177.8	-177.5	-177.8	0	111.3	A48 T49 D50 R88	A48-K52 PolarHBondContact O-N 3.45Å; T49-K52 WeakPolarHBondContact O-CA 3.48Å; T49-K52 PolarHBondContact O-N 3Å; D50-K52 PolarHBondContact O-N 2.79Å; K52-R88 PolarHBondContact O-NH2 2.97Å
53	V	98.1	Very high	98.2	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	12%	0.12	C	C	.	.			trans	-67.7	156.6	174.4	-52.3	0	0	0	0	110	K15 L17 A48 R51 A55 R88 L121 L281	K15-V53 HydrophobicContact CB-CB 4.41Å; L17-V53 HydrophobicContact CB-CB 4.49Å; L17-V53 HydrophobicContact CB-CG1 4.1Å; L17-V53 HydrophobicContact CB-CG2 4.14Å; A48-V53 HydrophobicContact CB-CG2 3.83Å; A48-V53 PolarHBondContact O-N 2.89Å; A48-V53 VanDerWaalsContact O-N 3.12Å; R51-V53 VanDerWaalsContact C-N 3.3Å; R51-V53 HydrophobicContact CB-CG1 4.15Å; R51-V53 PolarHBondContact O-N 3.27Å; V53-A55 WeakPolarHBondContact CG2-O 3.33Å; V53-R88 VanDerWaalsContact O-CZ 3.29Å; V53-R88 PolarHBondContact O-NH1 3.25Å; V53-R88 PolarHBondContact O-NH2 2.85Å; V53-L121 HydrophobicContact CG2-CD1 3.54Å; V53-L281 HydrophobicContact CG1-CD1 3.51Å
54	D	98.2	Very high	98.1	Very high	6 Å²	6	26.9 Å²	26.9	3%	0.032	12%	0.124	C	C	.	.	S	Bend	trans	-81.7	-29.8	178.3	-61.3	-60.6	0	0	0	111.8	I14 K15 I92 P122 K171	I14-D54 WeakPolarHBondContact CA-OD2 3.24Å; K15-D54 PolarHBondContact N-OD2 2.93Å; K15-D54 WeakPolarHBondContact O-CB 3.42Å; K15-D54 PolarHBondContact O-N 2.89Å; D54-I92 HydrophobicContact CB-CG2 3.75Å; D54-P122 WeakPolarHBondContact O-CD 3.36Å; D54-K171 IonicContact OD1-NZ 3.86Å; D54-K171 PolarHBondContact OD1-NZ 3.34Å; D54-K171 IonicContact OD2-NZ 3.47Å; D54-K171 PolarHBondContact OD2-NZ 2.8Å
55	A	98.4	Very high	97.9	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.008	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	155.3	171.4	0	0	0	0	0	111.8	K15 L16 L17 V53 I92 P122 F124	K15-A55 PolarHBondContact O-N 2.66Å; L16-A55 WeakPolarHBondContact CA-O 3.23Å; L16-A55 HydrophobicContact CD2-CB 4.01Å; L17-A55 PolarHBondContact N-O 3.42Å; V53-A55 WeakPolarHBondContact CG2-O 3.33Å; A55-I92 HydrophobicContact CB-CD1 4.46Å; A55-P122 CarbonylContact C-O 3.4Å; A55-P122 VanDerWaalsContact CA-O 3.28Å; A55-P122 WeakPolarHBondContact CA-O 3.28Å; A55-P122 HydrophobicContact CB-CB 4.38Å; A55-F124 HydrophobicContact CB-CD2 4.03Å; A55-F124 HydrophobicContact CB-CE2 4.06Å
56	L	98.8	Very high	97.5	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	127.1	165.1	170.8	61.5	0	0	0	108.8	L17 I44 L45 L58 P122 V123 F124	L17-L56 HydrophobicContact CB-CD1 4Å; L17-L56 HydrophobicContact CD2-CD1 4.23Å; L17-L56 HydrophobicContact CG-CD1 4.26Å; L17-L56 CarbonylContact O-C 3.57Å; L17-L56 WeakPolarHBondContact O-CA 3.4Å; L17-L56 WeakPolarHBondContact O-CD1 3.43Å; I44-L56 HydrophobicContact CG2-CD1 4.09Å; I44-L56 HydrophobicContact CG2-CD2 4.38Å; L45-L56 HydrophobicContact CD2-CD2 3.86Å; L56-L58 HydrophobicContact CD1-CD2 4.05Å; L56-L58 HydrophobicContact CD2-CD2 4.14Å; L56-L58 HydrophobicContact CD2-CG 4.5Å; L56-L58 HydrophobicContact CG-CD2 4.01Å; L56-L58 HydrophobicContact CG-CG 4.26Å; L56-P122 PolarHBondContact N-O 3.5Å; L56-V123 HydrophobicContact CB-CG1 4.43Å; L56-V123 HydrophobicContact CB-CG2 4.22Å; L56-V123 HydrophobicContact CD2-CG1 4.19Å; L56-V123 HydrophobicContact CD2-CG2 4.16Å; L56-V123 HydrophobicContact CG-CG1 4.24Å; L56-V123 CarbonylContact O-C 3.59Å; L56-V123 WeakPolarHBondContact O-CA 3.36Å; L56-F124 PolarHBondContact O-N 2.93Å
57	L	98.8	Very high	97.3	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	127.3	173.8	-58.3	-169.4	0	0	0	109.9	L16 L17 I18 A19 F124 L178 I239	L16-L57 HydrophobicContact CD1-CD1 3.87Å; L16-L57 HydrophobicContact CD2-CG 4.48Å; L17-L57 PolarHBondContact O-N 3.48Å; I18-L57 HydrophobicContact CG1-CB 4.48Å; A19-L57 PolarHBondContact N-O 3.35Å; A19-L57 VanDerWaalsContact O-O 3.11Å; L57-F124 WeakPolarHBondContact CA-O 3.48Å; L57-F124 HydrophobicContact CD2-CB 3.79Å; L57-F124 HydrophobicContact CD2-CD2 4.23Å; L57-F124 HydrophobicContact CD2-CG 4.34Å; L57-L178 HydrophobicContact CD1-CD1 3.98Å; L57-L178 HydrophobicContact CD1-CD2 4.49Å; L57-L178 HydrophobicContact CD2-CD2 3.86Å; L57-I239 HydrophobicContact CD1-CD1 4.39Å
58	L	98.8	Very high	97.1	Very high	3 Å²	3	39.2 Å²	39.2	2%	0.016	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	117.1	178	-62	-178.9	0	0	0	110.7	A19 I22 L56 G60 L62 V123 F124 S125 I126 L212	A19-L58 HydrophobicContact CB-CD2 4.11Å; A19-L58 VanDerWaalsContact O-CA 3.27Å; A19-L58 WeakPolarHBondContact O-CA 3.4Å; I22-L58 HydrophobicContact CG1-CD2 4.44Å; L56-L58 HydrophobicContact CD1-CD2 4.05Å; L56-L58 HydrophobicContact CD2-CD2 4.14Å; L56-L58 HydrophobicContact CD2-CG 4.5Å; L56-L58 HydrophobicContact CG-CD2 4.01Å; L56-L58 HydrophobicContact CG-CG 4.26Å; L58-G60 PolarHBondContact O-N 2.94Å; L58-G60 VanDerWaalsContact O-N 3.09Å; L58-L62 HydrophobicContact CD1-CD1 4.19Å; L58-V123 HydrophobicContact CD1-CG1 3.7Å; L58-V123 HydrophobicContact CG-CG1 4.03Å; L58-F124 PolarHBondContact N-O 3.38Å; L58-S125 WeakPolarHBondContact CB-OG 3.14Å; L58-S125 WeakPolarHBondContact O-CA 3.38Å; L58-I126 PolarHBondContact O-N 2.79Å; L58-L212 WeakPolarHBondContact O-CD2 3.31Å
59	G	98.1	Very high	97	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	19%	0.194	C	C	.	.			trans	-75.6	18.2	-176.1	0	0	0	0	0	116.3	A19 T20 H214	A19-G59 PolarHBondContact O-N 2.77Å; T20-G59 WeakPolarHBondContact OG1-CA 3.45Å; T20-G59 PolarHBondContact OG1-O 3.24Å; G59-H214 PolarHBondContact O-ND1 3.39Å
60	G	97.5	Very high	97	Very high	1 Å²	1	50.5 Å²	50.5	1%	0.01	23%	0.226	C	C	.	.	S	Bend	trans	95.4	175.5	-173.6	0	0	0	0	0	113.2	D21 L58 L62 I126	D21-G60 PolarHBondContact N-O 3.47Å; L58-G60 PolarHBondContact O-N 2.94Å; L58-G60 VanDerWaalsContact O-N 3.09Å; G60-L62 VanDerWaalsContact C-N 3.35Å; G60-L62 PolarHBondContact O-N 2.96Å; G60-I126 WeakPolarHBondContact CA-O 3.04Å
61	D	97.9	Very high	97	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	22%	0.224	C	C	.	.			trans	51.5	50.6	-174.8	-77.9	2.5	0	0	0	112.7	D21 I22 H23 F63 G128 N129 H130 D131 H214	D21-D61 HydrophobicContact CB-CB 4.43Å; I22-D61 PolarHBondContact N-O 3.18Å; H23-D61 IonicContact CE1-OD2 3.7Å; H23-D61 PolarHBondContact CE1-OD2 2.88Å; H23-D61 VanDerWaalsContact CE1-OD2 3.26Å; H23-D61 PolarHBondContact N-O 3.38Å; H23-D61 IonicContact NE2-OD2 3.07Å; D61-F63 VanDerWaalsContact C-N 3.29Å; D61-G128 WeakPolarHBondContact OD1-CA 3.28Å; D61-N129 PolarHBondContact OD1-N 3.49Å; D61-N129 PolarHBondContact OD2-OD1 2.76Å; D61-H130 WeakPolarHBondContact OD1-CB 3.27Å; D61-H130 IonicContact OD1-CD2 3.46Å; D61-H130 PolarHBondContact OD1-N 3.06Å; D61-H130 IonicContact OD2-CD2 3.8Å; D61-H130 PolarHBondContact OD2-CD2 3.02Å; D61-H130 IonicContact OD2-CG 3.91Å; D61-D131 WeakPolarHBondContact CA-OD2 3.44Å; D61-D131 PolarHBondContact N-OD2 3.3Å; D61-H214 VanDerWaalsContact CG-CE1 3.42Å; D61-H214 IonicContact OD1-CE1 2.77Å; D61-H214 IonicContact OD1-NE2 2.75Å; D61-H214 IonicContact OD2-CE1 2.71Å; D61-H214 IonicContact OD2-NE2 2.77Å; D61-H214 PolarHBondContact OD2-NE2 3.3Å
62	L	98.6	Very high	97	Very high	2 Å²	2	44.1 Å²	44.1	1%	0.01	21%	0.209	C	C	.	.			trans	-63.3	-41.7	171.5	177.3	57.7	0	0	0	110.1	I22 H23 L24 F41 L58 G60 D131 L141 L144 L150	I22-L62 HydrophobicContact CB-CD1 4.15Å; I22-L62 HydrophobicContact CG1-CD1 4.1Å; I22-L62 HydrophobicContact CG2-CD1 4.38Å; H23-L62 PolarHBondContact N-O 3.48Å; L24-L62 VanDerWaalsContact CB-O 3.32Å; L24-L62 WeakPolarHBondContact CB-O 3.38Å; L24-L62 HydrophobicContact CD1-CD1 3.76Å; L24-L62 HydrophobicContact CD1-CG 4.17Å; L24-L62 HydrophobicContact CG-CD1 4.29Å; L24-L62 WeakPolarHBondContact CG-O 3.3Å; L24-L62 PolarHBondContact N-O 3.28Å; F41-L62 HydrophobicContact CD2-CD1 4.49Å; F41-L62 HydrophobicContact CE1-CD1 4.5Å; F41-L62 HydrophobicContact CE2-CD1 4.03Å; F41-L62 HydrophobicContact CZ-CD1 4.03Å; L58-L62 HydrophobicContact CD1-CD1 4.19Å; G60-L62 VanDerWaalsContact C-N 3.35Å; G60-L62 PolarHBondContact O-N 2.96Å; L62-D131 PolarHBondContact N-OD1 3.49Å; L62-D131 PolarHBondContact N-OD2 2.87Å; L62-D131 VanDerWaalsContact N-OD2 3.1Å; L62-L141 HydrophobicContact CB-CD2 4.11Å; L62-L141 HydrophobicContact CD2-CD2 3.66Å; L62-L144 HydrophobicContact CD2-CD1 3.78Å; L62-L150 HydrophobicContact CD2-CD2 4.12Å
63	F	98.3	Very high	97.1	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	19%	0.188	C	C	.	.	B	Isolated β-bridge	trans	-104.2	149.7	176.7	-63	-79.2	0	0	0	111.6	L24 D61 P68 V72 Y73 C76 H130 D131 A140 L144	L24-F63 HydrophobicContact CB-CD1 3.92Å; L24-F63 HydrophobicContact CB-CE1 4.35Å; L24-F63 HydrophobicContact CD1-CE1 4.21Å; D61-F63 VanDerWaalsContact C-N 3.29Å; F63-P68 HydrophobicContact CB-CB 4.48Å; F63-P68 HydrophobicContact CD1-CB 3.53Å; F63-P68 HydrophobicContact CD1-CG 3.73Å; F63-P68 HydrophobicContact CD2-CG 4.5Å; F63-P68 HydrophobicContact CE1-CB 3.96Å; F63-P68 HydrophobicContact CE1-CG 3.93Å; F63-P68 HydrophobicContact CG-CB 4.13Å; F63-P68 HydrophobicContact CG-CG 4.02Å; F63-P68 HydrophobicContact CZ-CG 4.38Å; F63-V72 HydrophobicContact CD1-CG1 4.03Å; F63-V72 HydrophobicContact CE1-CG1 4.22Å; F63-Y73 HydrophobicContact CE1-CD2 4.28Å; F63-Y73 AromaticContact CZ-CD2 3.9Å; F63-Y73 HydrophobicContact CZ-CD2 3.9Å; F63-Y73 HydrophobicContact CZ-CE2 4.25Å; F63-C76 HydrophobicContact CE1-CB 4.01Å; F63-C76 HydrophobicContact CZ-CB 4.09Å; F63-H130 VanDerWaalsContact O-CB 3.24Å; F63-H130 WeakPolarHBondContact O-CB 3.44Å; F63-D131 PolarHBondContact N-OD1 2.91Å; F63-A140 HydrophobicContact CD2-CB 3.51Å; F63-A140 HydrophobicContact CE2-CB 3.53Å; F63-A140 HydrophobicContact CG-CB 4.34Å; F63-A140 HydrophobicContact CZ-CB 4.38Å; F63-L144 HydrophobicContact CE2-CD1 3.8Å; F63-L144 HydrophobicContact CZ-CD1 3.9Å
64	H	96.4	Very high	97.1	Very high	44 Å²	44	44.8 Å²	44.8	20%	0.204	21%	0.212	C	C	.	.	S	Bend	trans	-80.5	-37.8	171.6	-172.9	61.2	0	0	0	112.2	H23 L24 F26 H130	H23-H64 HydrophobicContact CB-CB 3.96Å; H23-H64 AromaticContact ND1-ND1 3.55Å; L24-H64 PolarHBondContact O-N 3.16Å; F26-H64 HydrophobicContact CB-CB 4.08Å; F26-H64 AromaticContact CD2-CE1 3.58Å; F26-H64 AromaticContact CD2-ND1 3.73Å; F26-H64 AromaticContact CD2-NE2 3.72Å; H64-H130 AromaticContact CE1-CE1 3.83Å; H64-H130 AromaticContact ND1-CE1 3.95Å; H64-H130 AromaticContact ND1-ND1 3.91Å; H64-H130 PolarHBondContact O-ND1 3.17Å
65	D	94.5	Very high	97.1	Very high	76 Å²	76	47.8 Å²	47.8	41%	0.406	23%	0.225	S	C	.	.	S	Bend	trans	-105.9	137.7	176.8	-71.7	-63.3	0	0	0	109.8	R67 P68	D65-R67 PolarHBondContact O-N 3.44Å; D65-R67 VanDerWaalsContact O-N 3.11Å; D65-P68 VanDerWaalsContact O-CD 3.32Å; D65-P68 WeakPolarHBondContact O-CD 3.18Å
66	N	90.9	Very high	97.1	Very high	86 Å²	86	47.8 Å²	47.8	46%	0.46	23%	0.225	S	C	.	.	S	Bend	trans	-62.2	-19.7	176.6	66.9	-2.8	0	0	0	113.4	H130 D132	N66-H130 WeakPolarHBondContact CA-O 3.38Å; N66-H130 VanDerWaalsContact CB-O 3.28Å; N66-H130 WeakPolarHBondContact CB-O 3.49Å; N66-H130 PolarHBondContact N-O 2.88Å; N66-D132 HydrophobicContact CB-CB 4.44Å
67	R	92.6	Very high	97.1	Very high	201 Å²	201	49.9 Å²	49.9	76%	0.758	24%	0.238	S	C	*	.	S	Bend	trans	-122.7	78.3	170.6	-66.2	179.7	-175.8	166.2	2.2	107.3	D65	D65-R67 PolarHBondContact O-N 3.44Å; D65-R67 VanDerWaalsContact O-N 3.11Å
68	P	94.9	Very high	97.1	Very high	26 Å²	26	54.3 Å²	54.3	17%	0.169	26%	0.258	C	S	.	.			trans	-57.8	146.3	-179.1	25.3	-33.7	0	0	0	109.9	F63 D65 V72 Y73 A140	F63-P68 HydrophobicContact CB-CB 4.48Å; F63-P68 HydrophobicContact CD1-CB 3.53Å; F63-P68 HydrophobicContact CD1-CG 3.73Å; F63-P68 HydrophobicContact CD2-CG 4.5Å; F63-P68 HydrophobicContact CE1-CB 3.96Å; F63-P68 HydrophobicContact CE1-CG 3.93Å; F63-P68 HydrophobicContact CG-CB 4.13Å; F63-P68 HydrophobicContact CG-CG 4.02Å; F63-P68 HydrophobicContact CZ-CG 4.38Å; D65-P68 VanDerWaalsContact O-CD 3.32Å; D65-P68 WeakPolarHBondContact O-CD 3.18Å; P68-V72 HydrophobicContact CB-CB 4.32Å; P68-V72 HydrophobicContact CB-CG1 4.05Å; P68-Y73 HydrophobicContact CG-CD2 3.97Å; P68-A140 HydrophobicContact CG-CB 4.13Å
69	S	96.6	Very high	97.1	Very high	35 Å²	35	54.2 Å²	54.2	25%	0.245	26%	0.258	C	S	.	.			trans	-58.9	159.3	176.1	92.6	0	0	0	0	110.6	E28 A71 V72 Y73	E28-S69 VanDerWaalsContact CD-OG 3.27Å; E28-S69 WeakPolarHBondContact OE1-CB 3.32Å; E28-S69 PolarHBondContact OE1-OG 2.91Å; E28-S69 VanDerWaalsContact OE2-CB 3.23Å; E28-S69 WeakPolarHBondContact OE2-CB 3.26Å; E28-S69 PolarHBondContact OE2-OG 3.35Å; S69-A71 PolarHBondContact O-N 2.93Å; S69-A71 PolarHBondContact OG-N 3.49Å; S69-V72 PolarHBondContact O-N 3.45Å; S69-V72 WeakPolarHBondContact OG-CG2 3.33Å; S69-V72 PolarHBondContact OG-N 2.93Å; S69-V72 VanDerWaalsContact OG-N 3.12Å; S69-Y73 WeakPolarHBondContact O-CB 3.43Å; S69-Y73 PolarHBondContact O-N 3.31Å
70	R	97.4	Very high	97.1	Very high	233 Å²	233	54.3 Å²	54.3	88%	0.879	26%	0.258	S	S	*	.	H	α-helix	trans	-58	-35.4	175.3	-61.3	-176.9	-158.9	170.1	5.9	111.5	H74	R70-H74 WeakPolarHBondContact O-CB 3.28Å; R70-H74 PolarHBondContact O-N 3.29Å
71	A	97.6	Very high	97.2	Very high	62 Å²	62	61.2 Å²	61.2	51%	0.512	28%	0.284	S	S	.	.	H	α-helix	trans	-68.1	-47.1	-180	0	0	0	0	0	111.1	S69 H74 K75	S69-A71 PolarHBondContact O-N 2.93Å; S69-A71 PolarHBondContact OG-N 3.49Å; A71-H74 PolarHBondContact O-N 2.88Å; A71-K75 WeakPolarHBondContact O-CB 3.45Å; A71-K75 PolarHBondContact O-N 2.89Å
72	V	98.1	Very high	97.2	Very high	11 Å²	11	67.3 Å²	67.3	7%	0.067	31%	0.31	C	S	.	.	H	α-helix	trans	-62.7	-48.7	177.6	174.4	0	0	0	0	111	L24 G25 E28 F63 P68 S69 K75 C76	L24-V72 HydrophobicContact CB-CG1 3.86Å; G25-V72 VanDerWaalsContact CA-CG2 3.45Å; E28-V72 HydrophobicContact CG-CG2 4.36Å; F63-V72 HydrophobicContact CD1-CG1 4.03Å; F63-V72 HydrophobicContact CE1-CG1 4.22Å; P68-V72 HydrophobicContact CB-CB 4.32Å; P68-V72 HydrophobicContact CB-CG1 4.05Å; S69-V72 PolarHBondContact O-N 3.45Å; S69-V72 WeakPolarHBondContact OG-CG2 3.33Å; S69-V72 PolarHBondContact OG-N 2.93Å; S69-V72 VanDerWaalsContact OG-N 3.12Å; V72-K75 PolarHBondContact O-N 2.81Å; V72-C76 PolarHBondContact O-N 2.95Å
73	Y	98	Very high	97.2	Very high	45 Å²	45	68.7 Å²	68.7	18%	0.176	32%	0.316	C	S	.	.	H	α-helix	trans	-64.4	-43.8	179.9	-168.8	-90.4	0	0	0	111.7	F63 P68 S69 K75 C76 V77 M143 L144	F63-Y73 HydrophobicContact CE1-CD2 4.28Å; F63-Y73 AromaticContact CZ-CD2 3.9Å; F63-Y73 HydrophobicContact CZ-CD2 3.9Å; F63-Y73 HydrophobicContact CZ-CE2 4.25Å; P68-Y73 HydrophobicContact CG-CD2 3.97Å; S69-Y73 WeakPolarHBondContact O-CB 3.43Å; S69-Y73 PolarHBondContact O-N 3.31Å; Y73-K75 VanDerWaalsContact C-N 3.33Å; Y73-K75 PolarHBondContact O-N 3.31Å; Y73-C76 WeakPolarHBondContact O-CB 3.25Å; Y73-C76 PolarHBondContact O-N 3.44Å; Y73-V77 HydrophobicContact CD1-CG2 3.96Å; Y73-V77 HydrophobicContact CE1-CG2 3.61Å; Y73-V77 WeakPolarHBondContact O-CG2 3.22Å; Y73-V77 PolarHBondContact O-N 3.26Å; Y73-M143 HydrophobicContact CE1-CE 4.5Å; Y73-M143 HydrophobicContact CE2-CB 4.29Å; Y73-M143 WeakPolarHBondContact OH-CB 3.23Å; Y73-L144 HydrophobicContact CE2-CD2 3.93Å; Y73-L144 HydrophobicContact CE2-CG 4.08Å; Y73-L144 WeakPolarHBondContact OH-CD2 3.3Å; Y73-L144 PolarHBondContact OH-N 2.86Å
74	H	98.3	Very high	97.2	Very high	108 Å²	108	68.7 Å²	68.7	50%	0.5	32%	0.316	S	S	.	.	H	α-helix	trans	-56.2	-47.4	174.3	176.5	-92.4	0	0	0	111.6	R70 A71 C76 V77 E78	R70-H74 WeakPolarHBondContact O-CB 3.28Å; R70-H74 PolarHBondContact O-N 3.29Å; A71-H74 PolarHBondContact O-N 2.88Å; H74-C76 PolarHBondContact O-N 2.73Å; H74-V77 PolarHBondContact O-N 3.4Å; H74-E78 IonicContact CE1-OE1 3.37Å; H74-E78 PolarHBondContact CE1-OE1 3.44Å; H74-E78 IonicContact CE1-OE2 3.76Å; H74-E78 IonicContact ND1-OE1 3.5Å; H74-E78 IonicContact ND1-OE2 2.7Å; H74-E78 IonicContact NE2-OE1 3.54Å; H74-E78 PolarHBondContact O-N 3.4Å
75	K	98.3	Very high	97.2	Very high	69 Å²	69	68 Å²	68	30%	0.3	31%	0.312	S	S	.	.	H	α-helix	trans	-65.6	-39.2	-179.8	-172.5	60.7	177.8	-179.7	0	112.6	T38 A71 V72 Y73 E78 L79	T38-K75 HydrophobicContact CG2-CD 4.05Å; T38-K75 VanDerWaalsContact CG2-CE 3.46Å; T38-K75 HydrophobicContact CG2-CG 3.38Å; A71-K75 WeakPolarHBondContact O-CB 3.45Å; A71-K75 PolarHBondContact O-N 2.89Å; V72-K75 PolarHBondContact O-N 2.81Å; Y73-K75 VanDerWaalsContact C-N 3.33Å; Y73-K75 PolarHBondContact O-N 3.31Å; K75-E78 PolarHBondContact O-N 3.12Å; K75-L79 HydrophobicContact CG-CD1 4.35Å; K75-L79 WeakPolarHBondContact O-CB 3.28Å; K75-L79 VanDerWaalsContact O-CG 3.3Å; K75-L79 WeakPolarHBondContact O-CG 3.26Å; K75-L79 PolarHBondContact O-N 3.07Å
76	C	98.6	Very high	97.3	Very high	1 Å²	1	67.2 Å²	67.2	1%	0.007	30%	0.304	C	S	.	.	H	α-helix	trans	-57.1	-48.8	172.2	-175.8	0	0	0	0	111.2	L24 F63 V72 Y73 H74 E78 L79 L80	L24-C76 HydrophobicContact CD1-CB 3.8Å; F63-C76 HydrophobicContact CE1-CB 4.01Å; F63-C76 HydrophobicContact CZ-CB 4.09Å; V72-C76 PolarHBondContact O-N 2.95Å; Y73-C76 WeakPolarHBondContact O-CB 3.25Å; Y73-C76 PolarHBondContact O-N 3.44Å; H74-C76 PolarHBondContact O-N 2.73Å; C76-E78 PolarHBondContact O-N 3.42Å; C76-L79 PolarHBondContact O-N 3.47Å; C76-L80 WeakPolarHBondContact O-CG 3.39Å; C76-L80 PolarHBondContact O-N 3.07Å
77	V	98.7	Very high	97.3	Very high	45 Å²	45	70 Å²	70	27%	0.273	32%	0.319	S	S	.	.	H	α-helix	trans	-60.5	-45.8	178.3	170.6	0	0	0	0	111.5	Y73 H74 L79 R81 L144 L149	Y73-V77 HydrophobicContact CD1-CG2 3.96Å; Y73-V77 HydrophobicContact CE1-CG2 3.61Å; Y73-V77 WeakPolarHBondContact O-CG2 3.22Å; Y73-V77 PolarHBondContact O-N 3.26Å; H74-V77 PolarHBondContact O-N 3.4Å; V77-L79 PolarHBondContact O-N 3.32Å; V77-R81 VanDerWaalsContact O-CB 3.25Å; V77-R81 WeakPolarHBondContact O-CB 3.34Å; V77-R81 PolarHBondContact O-N 3.27Å; V77-L144 HydrophobicContact CG2-CD2 3.9Å; V77-L149 HydrophobicContact CB-CD1 4.18Å; V77-L149 HydrophobicContact CG1-CD1 3.9Å; V77-L149 HydrophobicContact CG2-CD1 3.77Å
78	E	98.7	Very high	97.4	Very high	92 Å²	92	63 Å²	63	43%	0.43	29%	0.292	S	S	.	.	H	α-helix	trans	-60.3	-44.4	176.9	-74.6	-172.9	144.6	0	0	112.3	H74 K75 C76 R81 K82	H74-E78 IonicContact CE1-OE1 3.37Å; H74-E78 PolarHBondContact CE1-OE1 3.44Å; H74-E78 IonicContact CE1-OE2 3.76Å; H74-E78 IonicContact ND1-OE1 3.5Å; H74-E78 IonicContact ND1-OE2 2.7Å; H74-E78 IonicContact NE2-OE1 3.54Å; H74-E78 PolarHBondContact O-N 3.4Å; K75-E78 PolarHBondContact O-N 3.12Å; C76-E78 PolarHBondContact O-N 3.42Å; E78-R81 PolarHBondContact O-N 3.34Å; E78-K82 WeakPolarHBondContact O-CB 3.36Å; E78-K82 PolarHBondContact O-N 2.85Å
79	L	98.8	Very high	97.2	Very high	2 Å²	2	66.9 Å²	66.9	1%	0.01	32%	0.316	C	S	.	.	H	α-helix	trans	-65.4	-47.9	180	-73.2	177.3	0	0	0	111.6	T38 F41 E42 L45 K75 C76 V77 R81 K82 Y83	T38-L79 HydrophobicContact CG2-CD1 4.1Å; F41-L79 HydrophobicContact CD1-CB 4.41Å; F41-L79 HydrophobicContact CD1-CD1 3.8Å; F41-L79 HydrophobicContact CE1-CB 4.39Å; E42-L79 HydrophobicContact CB-CD1 4.13Å; E42-L79 HydrophobicContact CB-CD2 3.66Å; E42-L79 VanDerWaalsContact CD-CD2 3.5Å; E42-L79 HydrophobicContact CG-CD2 3.76Å; L45-L79 HydrophobicContact CD1-CB 3.73Å; K75-L79 HydrophobicContact CG-CD1 4.35Å; K75-L79 WeakPolarHBondContact O-CB 3.28Å; K75-L79 VanDerWaalsContact O-CG 3.3Å; K75-L79 WeakPolarHBondContact O-CG 3.26Å; K75-L79 PolarHBondContact O-N 3.07Å; C76-L79 PolarHBondContact O-N 3.47Å; V77-L79 PolarHBondContact O-N 3.32Å; L79-R81 VanDerWaalsContact C-N 3.32Å; L79-R81 PolarHBondContact O-N 3.38Å; L79-K82 PolarHBondContact O-N 3.4Å; L79-Y83 HydrophobicContact CD2-CD2 4.37Å; L79-Y83 HydrophobicContact CD2-CE2 3.95Å; L79-Y83 WeakPolarHBondContact O-CD2 3.48Å; L79-Y83 PolarHBondContact O-N 3.2Å
80	L	98.8	Very high	97.1	Very high	1 Å²	1	66.7 Å²	66.7	1%	0.005	31%	0.313	C	S	.	.	H	α-helix	trans	-60.3	-43.9	175	-71.6	172	0	0	0	110.8	F41 L45 C76 K82 C84 V123 L144 L149 L150	F41-L80 HydrophobicContact CE1-CD2 4.45Å; F41-L80 HydrophobicContact CE1-CG 4.41Å; F41-L80 HydrophobicContact CZ-CD2 4.01Å; F41-L80 HydrophobicContact CZ-CG 4.42Å; L45-L80 HydrophobicContact CD2-CD2 4.3Å; C76-L80 WeakPolarHBondContact O-CG 3.39Å; C76-L80 PolarHBondContact O-N 3.07Å; L80-K82 PolarHBondContact O-N 3.45Å; L80-C84 WeakPolarHBondContact O-CA 3.44Å; L80-C84 WeakPolarHBondContact O-CB 3.05Å; L80-C84 PolarHBondContact O-N 3.22Å; L80-C84 PolarHBondContact O-SG 3.44Å; L80-V123 HydrophobicContact CD2-CG2 4.21Å; L80-L144 HydrophobicContact CD1-CD1 4.16Å; L80-L144 HydrophobicContact CD1-CD2 4.18Å; L80-L149 HydrophobicContact CB-CB 4.29Å; L80-L149 HydrophobicContact CB-CD2 4.39Å; L80-L149 HydrophobicContact CD1-CB 3.99Å; L80-L150 HydrophobicContact CD1-CD2 4.34Å
81	R	98.4	Very high	96.8	Very high	147 Å²	147	59 Å²	59	56%	0.555	29%	0.29	S	S	*	.	H	α-helix	trans	-61.5	-44.7	177.1	-175.9	60	177.8	-151.8	-0.2	111.7	V77 E78 L79 F85	V77-R81 VanDerWaalsContact O-CB 3.25Å; V77-R81 WeakPolarHBondContact O-CB 3.34Å; V77-R81 PolarHBondContact O-N 3.27Å; E78-R81 PolarHBondContact O-N 3.34Å; L79-R81 VanDerWaalsContact C-N 3.32Å; L79-R81 PolarHBondContact O-N 3.38Å; R81-F85 VanDerWaalsContact NH1-CD1 3.33Å; R81-F85 WeakPolarHBondContact O-CB 3.4Å; R81-F85 PolarHBondContact O-N 3.27Å
82	K	98.3	Very high	96.7	Very high	127 Å²	127	56.6 Å²	56.6	55%	0.552	27%	0.268	S	S	*	.	H	α-helix	trans	-65.7	-42.7	-177.3	178.7	179.6	172.6	-170.9	0	112.9	E42 E78 L79 L80	E42-K82 IonicContact OE1-NZ 3.78Å; E42-K82 PolarHBondContact OE1-NZ 2.83Å; E78-K82 WeakPolarHBondContact O-CB 3.36Å; E78-K82 PolarHBondContact O-N 2.85Å; L79-K82 PolarHBondContact O-N 3.4Å; L80-K82 PolarHBondContact O-N 3.45Å
83	Y	98.6	Very high	96.5	Very high	31 Å²	31	58.7 Å²	58.7	12%	0.122	28%	0.283	C	S	.	.	H	α-helix	trans	-102.8	-17.1	-171.7	-68.6	-77.1	0	0	0	114.3	E42 L45 K46 T49 L79 Y86	E42-Y83 HydrophobicContact CG-CE2 3.68Å; E42-Y83 WeakPolarHBondContact CG-OH 3.23Å; E42-Y83 WeakPolarHBondContact OE1-CE2 3.18Å; E42-Y83 PolarHBondContact OE1-OH 2.87Å; L45-Y83 HydrophobicContact CB-CD1 4.45Å; L45-Y83 HydrophobicContact CB-CD2 3.82Å; L45-Y83 HydrophobicContact CB-CG 3.76Å; L45-Y83 HydrophobicContact CD1-CD2 4.07Å; K46-Y83 HydrophobicContact CB-CE1 3.9Å; K46-Y83 HydrophobicContact CG-CE1 4.27Å; T49-Y83 PolarHBondContact OG1-O 2.88Å; L79-Y83 HydrophobicContact CD2-CD2 4.37Å; L79-Y83 HydrophobicContact CD2-CE2 3.95Å; L79-Y83 WeakPolarHBondContact O-CD2 3.48Å; L79-Y83 PolarHBondContact O-N 3.2Å; Y83-Y86 WeakPolarHBondContact O-CD1 3.38Å; Y83-Y86 WeakPolarHBondContact O-CE1 3.47Å
84	C	98.4	Very high	96.4	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-101.2	-23.4	-179.8	-55.7	0	0	0	0	114	L80 G120 L121 V123	L80-C84 WeakPolarHBondContact O-CA 3.44Å; L80-C84 WeakPolarHBondContact O-CB 3.05Å; L80-C84 PolarHBondContact O-N 3.22Å; L80-C84 PolarHBondContact O-SG 3.44Å; C84-G120 PolarHBondContact O-N 3.2Å; C84-L121 WeakPolarHBondContact CB-O 3.44Å; C84-L121 PolarHBondContact O-N 3.49Å; C84-V123 VanDerWaalsContact SG-CG2 3.57Å
85	F	97.7	Very high	96	Very high	29 Å²	29	56.7 Å²	56.7	13%	0.127	28%	0.276	C	S	.	.	B	Isolated β-bridge	trans	-105.9	95.1	-176.1	-68.3	-114.6	0	0	0	111.5	R81 L117 H118 I119 G148 L149	R81-F85 VanDerWaalsContact NH1-CD1 3.33Å; R81-F85 WeakPolarHBondContact O-CB 3.4Å; R81-F85 PolarHBondContact O-N 3.27Å; F85-L117 HydrophobicContact CE1-CB 4.5Å; F85-L117 HydrophobicContact CE1-CD2 4.24Å; F85-H118 CarbonylContact C-O 3.51Å; F85-H118 WeakPolarHBondContact CA-O 3.37Å; F85-I119 HydrophobicContact CD1-CD1 3.79Å; F85-I119 HydrophobicContact CD2-CD1 4.07Å; F85-I119 HydrophobicContact CE1-CD1 3.43Å; F85-I119 VanDerWaalsContact CE1-CD1 3.43Å; F85-I119 HydrophobicContact CE2-CD1 3.7Å; F85-I119 HydrophobicContact CG-CD1 4.1Å; F85-I119 HydrophobicContact CZ-CD1 3.38Å; F85-G148 WeakPolarHBondContact CZ-O 3.49Å; F85-L149 HydrophobicContact CE2-CD2 3.6Å; F85-L149 HydrophobicContact CZ-CD2 3.88Å
86	Y	95.2	Very high	95.6	Very high	60 Å²	60	55.9 Å²	55.9	24%	0.235	28%	0.275	C	S	.	.	S	Bend	trans	-160.3	161.7	179.6	63.6	-80.2	0	0	0	110.6	T49 Y83 R88 H118 G120 L121	T49-Y86 HydrophobicContact CG2-CE1 4.38Å; Y83-Y86 WeakPolarHBondContact O-CD1 3.38Å; Y83-Y86 WeakPolarHBondContact O-CE1 3.47Å; Y86-R88 HydrophobicContact CD2-CB 3.76Å; Y86-R88 HydrophobicContact CE2-CB 3.36Å; Y86-R88 HydrophobicContact CE2-CG 4.14Å; Y86-R88 PolarHBondContact O-N 3.42Å; Y86-R88 WeakPolarHBondContact OH-CD 3.32Å; Y86-R88 PolarHBondContact OH-NH1 3.03Å; Y86-H118 PolarHBondContact N-O 2.93Å; Y86-G120 WeakPolarHBondContact O-CA 3.41Å; Y86-G120 PolarHBondContact O-N 3.13Å; Y86-G120 PolarHBondContact OH-O 2.77Å; Y86-L121 HydrophobicContact CE1-CB 4.02Å
87	D	91.7	Very high	95	Very high	145 Å²	145	60.5 Å²	60.5	78%	0.775	30%	0.3	S	S	*	.	S	Bend	trans	-75.7	85.4	-174.9	-64.9	-26.8	0	0	0	111.7	H118	D87-H118 IonicContact OD1-ND1 3.08Å; D87-H118 PolarHBondContact OD1-ND1 2.89Å
88	R	93.9	Very high	94.3	Very high	53 Å²	53	58.7 Å²	58.7	20%	0.2	29%	0.289	C	S	.	.			trans	-140.6	127.8	171	175	-177.8	171.6	-148.9	-9.9	109.8	K52 V53 Y86 V90	K52-R88 PolarHBondContact O-NH2 2.97Å; V53-R88 VanDerWaalsContact O-CZ 3.29Å; V53-R88 PolarHBondContact O-NH1 3.25Å; V53-R88 PolarHBondContact O-NH2 2.85Å; Y86-R88 HydrophobicContact CD2-CB 3.76Å; Y86-R88 HydrophobicContact CE2-CB 3.36Å; Y86-R88 HydrophobicContact CE2-CG 4.14Å; Y86-R88 PolarHBondContact O-N 3.42Å; Y86-R88 WeakPolarHBondContact OH-CD 3.32Å; Y86-R88 PolarHBondContact OH-NH1 3.03Å; R88-V90 PolarHBondContact O-N 3.1Å
89	T	92	Very high	93.7	Very high	108 Å²	108	55.9 Å²	55.9	66%	0.663	28%	0.28	S	S	*	.			trans	-65.3	120.2	173.3	-49.4	0	0	0	0	110.7	N91	T89-N91 PolarHBondContact O-N 3.07Å; T89-N91 PolarHBondContact O-ND2 2.84Å
90	V	93.1	Very high	93.3	Very high	31 Å²	31	60.1 Å²	60.1	19%	0.188	31%	0.306	C	S	.	.			trans	-75.5	114.7	169.5	176.3	0	0	0	0	108.1	R88 I92 F112 I119 P122	R88-V90 PolarHBondContact O-N 3.1Å; V90-I92 VanDerWaalsContact C-N 3.28Å; V90-I92 HydrophobicContact CG1-CD1 4.21Å; V90-I92 HydrophobicContact CG1-CG1 3.38Å; V90-I92 PolarHBondContact O-N 2.81Å; V90-F112 HydrophobicContact CB-CD2 4.26Å; V90-F112 HydrophobicContact CG1-CB 4.49Å; V90-F112 HydrophobicContact CG1-CD2 3.68Å; V90-F112 HydrophobicContact CG1-CE2 4.1Å; V90-F112 HydrophobicContact CG1-CG 4.14Å; V90-F112 HydrophobicContact CG2-CB 4.2Å; V90-I119 VanDerWaalsContact CG2-O 3.23Å; V90-I119 WeakPolarHBondContact CG2-O 3.44Å; V90-P122 HydrophobicContact CB-CG 4.47Å; V90-P122 HydrophobicContact CG1-CG 3.73Å; V90-P122 HydrophobicContact CG2-CG 3.84Å
91	N	91.9	Very high	92.9	Very high	72 Å²	72	61 Å²	61	39%	0.385	31%	0.31	S	S	.	.			trans	-93.1	22.1	-174.4	-64.1	-56.9	0	0	0	113.2	T89 K171	T89-N91 PolarHBondContact O-N 3.07Å; T89-N91 PolarHBondContact O-ND2 2.84Å; N91-K171 WeakPolarHBondContact O-CG 3.35Å
92	I	95.6	Very high	92.7	Very high	12 Å²	12	54 Å²	54	6%	0.062	28%	0.284	C	S	.	.			trans	-114.1	152.7	173.3	57	166	0	0	0	109.2	D54 A55 V90 F112 I169 R170 K171	D54-I92 HydrophobicContact CB-CG2 3.75Å; A55-I92 HydrophobicContact CB-CD1 4.46Å; V90-I92 VanDerWaalsContact C-N 3.28Å; V90-I92 HydrophobicContact CG1-CD1 4.21Å; V90-I92 HydrophobicContact CG1-CG1 3.38Å; V90-I92 PolarHBondContact O-N 2.81Å; I92-F112 HydrophobicContact CD1-CZ 4.25Å; I92-F112 HydrophobicContact CG1-CE2 4.27Å; I92-F112 HydrophobicContact CG1-CZ 4.38Å; I92-I169 HydrophobicContact CB-CG2 3.8Å; I92-I169 HydrophobicContact CD1-CG2 4.02Å; I92-I169 HydrophobicContact CG1-CG2 4.48Å; I92-I169 HydrophobicContact CG2-CG2 3.97Å; I92-R170 WeakPolarHBondContact CA-O 3.45Å; I92-K171 HydrophobicContact CG2-CB 4.18Å; I92-K171 HydrophobicContact CG2-CD 4.17Å
93	S	94.5	Very high	92.4	Very high	55 Å²	55	52 Å²	52	39%	0.385	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	147.7	175.9	55.4	0	0	0	0	110.1	I169 R170	S93-I169 CarbonylContact O-C 3.55Å; S93-I169 WeakPolarHBondContact O-CA 3.28Å; S93-R170 PolarHBondContact N-O 3.11Å; S93-R170 PolarHBondContact O-N 3.32Å; S93-R170 PolarHBondContact OG-O 3.24Å
94	L	94.3	Very high	92.1	Very high	17 Å²	17	52.3 Å²	52.3	9%	0.089	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	124	169.1	-59.3	-178.4	0	0	0	108.6	A98 A110 F112 L167 C168 I169	L94-A98 HydrophobicContact CD1-CB 3.73Å; L94-A110 HydrophobicContact CD1-CB 3.59Å; L94-F112 HydrophobicContact CD1-CZ 4.23Å; L94-F112 HydrophobicContact CD2-CZ 4.38Å; L94-F112 HydrophobicContact CG-CZ 3.93Å; L94-L167 HydrophobicContact CD1-CD2 4.42Å; L94-C168 WeakPolarHBondContact CA-O 3.43Å; L94-I169 HydrophobicContact CD2-CG1 3.63Å
95	E	90.5	Very high	91.9	Very high	93 Å²	93	53.1 Å²	53.1	44%	0.435	29%	0.293	S	S	.	.			trans	-94	-29.1	-175.3	-61.2	-159.7	130.5	0	0	113.6	C168 R170	E95-C168 HydrophobicContact CB-CB 4.28Å; E95-C168 PolarHBondContact N-O 3.49Å; E95-R170 HydrophobicContact CG-CB 3.87Å; E95-R170 WeakPolarHBondContact OE1-CD 3.49Å; E95-R170 IonicContact OE1-CZ 3.71Å; E95-R170 IonicContact OE1-NE 3.24Å; E95-R170 PolarHBondContact OE1-NE 3.26Å; E95-R170 IonicContact OE1-NH2 3.7Å; E95-R170 IonicContact OE2-CZ 3.25Å; E95-R170 VanDerWaalsContact OE2-CZ 3.22Å; E95-R170 IonicContact OE2-NE 2.96Å; E95-R170 PolarHBondContact OE2-NE 3.2Å; E95-R170 IonicContact OE2-NH2 3.57Å; E95-R170 PolarHBondContact OE2-NH2 2.79Å
96	N	89.6	Confident	91.7	Very high	52 Å²	52	56.1 Å²	56.1	28%	0.278	32%	0.324	S	S	.	.	S	Bend	trans	-98.1	167.9	178.4	69.2	-36.6	0	0	0	111.7	A98 P166 C168	N96-A98 PolarHBondContact O-N 3.06Å; N96-P166 PolarHBondContact ND2-O 2.89Å; N96-C168 HydrophobicContact CB-CB 4.24Å; N96-C168 WeakPolarHBondContact OD1-CB 3.45Å; N96-C168 PolarHBondContact OD1-N 3.15Å
97	D	86.3	Confident	91.6	Very high	98 Å²	98	58.7 Å²	58.7	52%	0.524	34%	0.336	S	S	.	.			trans	-66	97.4	178.5	-177.1	13.8	0	0	0	111.2	S99	D97-S99 PolarHBondContact O-N 2.85Å; D97-S99 WeakPolarHBondContact OD1-CB 3.29Å; D97-S99 PolarHBondContact OD1-N 2.04Å; D97-S99 PolarHBondContact OD1-OG 2.96Å; D97-S99 PolarHBondContact OD2-OG 3.47Å
98	A	85.1	Confident	91.7	Very high	7 Å²	7	57.5 Å²	57.5	6%	0.058	32%	0.324	C	S	.	.	G	3₁₀ helix	trans	-65.4	-15.2	177.4	0	0	0	0	0	112.7	L94 N96 V100 H101 F102 L167	L94-A98 HydrophobicContact CD1-CB 3.73Å; N96-A98 PolarHBondContact O-N 3.06Å; A98-V100 PolarHBondContact O-N 3.42Å; A98-H101 WeakPolarHBondContact O-CB 3.13Å; A98-H101 PolarHBondContact O-N 2.89Å; A98-F102 HydrophobicContact CB-CD2 3.96Å; A98-F102 HydrophobicContact CB-CE2 3.66Å; A98-F102 WeakPolarHBondContact O-CD2 3.26Å; A98-F102 PolarHBondContact O-N 3.3Å; A98-L167 HydrophobicContact CB-CD2 4.17Å
99	S	86.1	Confident	91.7	Very high	33 Å²	33	61.1 Å²	61.1	23%	0.231	34%	0.338	C	S	.	.	G	3₁₀ helix	trans	-61.9	-26.5	-178.6	86.5	0	0	0	0	113.3	D97 H101 F102 S103 K108	D97-S99 PolarHBondContact O-N 2.85Å; D97-S99 WeakPolarHBondContact OD1-CB 3.29Å; D97-S99 PolarHBondContact OD1-N 2.04Å; D97-S99 PolarHBondContact OD1-OG 2.96Å; D97-S99 PolarHBondContact OD2-OG 3.47Å; S99-H101 VanDerWaalsContact C-N 3.31Å; S99-H101 PolarHBondContact O-N 2.88Å; S99-F102 CarbonylContact O-C 3.55Å; S99-F102 PolarHBondContact O-N 2.75Å; S99-S103 PolarHBondContact O-N 2.89Å; S99-K108 VanDerWaalsContact CA-O 3.29Å; S99-K108 WeakPolarHBondContact CA-O 3.4Å
100	V	89.1	Confident	91.8	Very high	91 Å²	91	56 Å²	56	55%	0.552	31%	0.306	S	S	*	.	G	3₁₀ helix	trans	-61.3	-42.8	174.9	179.7	0	0	0	0	110.7	A98 S103	A98-V100 PolarHBondContact O-N 3.42Å; V100-S103 PolarHBondContact O-OG 3.34Å
101	H	91.8	Very high	92	Very high	21 Å²	21	54.8 Å²	54.8	10%	0.097	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-30.9	-178.4	-64.2	-77.9	0	0	0	113	A98 S99 H104 F153 A165 P166 L167	A98-H101 WeakPolarHBondContact O-CB 3.13Å; A98-H101 PolarHBondContact O-N 2.89Å; S99-H101 VanDerWaalsContact C-N 3.31Å; S99-H101 PolarHBondContact O-N 2.88Å; H101-H104 PolarHBondContact O-CE1 3.44Å; H101-H104 PolarHBondContact O-ND1 3.17Å; H101-F153 HydrophobicContact CB-CB 4.33Å; H101-A165 PolarHBondContact CE1-O 2.65Å; H101-A165 VanDerWaalsContact CE1-O 3.27Å; H101-P166 PolarHBondContact NE2-O 2.83Å; H101-L167 HydrophobicContact CB-CD2 4.11Å; H101-L167 WeakPolarHBondContact CD2-CD2 3.48Å
102	F	94.2	Very high	92.2	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.1	18.7	-176.7	-51.5	-44.3	0	0	0	112.9	A98 S99 H104 S105 A110 H145 N151 Y152 F153 L167	A98-F102 HydrophobicContact CB-CD2 3.96Å; A98-F102 HydrophobicContact CB-CE2 3.66Å; A98-F102 WeakPolarHBondContact O-CD2 3.26Å; A98-F102 PolarHBondContact O-N 3.3Å; S99-F102 CarbonylContact O-C 3.55Å; S99-F102 PolarHBondContact O-N 2.75Å; F102-H104 PolarHBondContact O-N 2.95Å; F102-H104 VanDerWaalsContact O-N 3.15Å; F102-S105 PolarHBondContact O-N 3.31Å; F102-A110 HydrophobicContact CE2-CB 3.92Å; F102-A110 HydrophobicContact CZ-CB 4.21Å; F102-H145 AromaticContact CD1-CE1 3.36Å; F102-H145 WeakPolarHBondContact CD1-CE1 3.38Å; F102-H145 AromaticContact CE1-CE1 3.99Å; F102-H145 AromaticContact CG-CE1 3.71Å; F102-N151 HydrophobicContact CE1-CB 4.11Å; F102-N151 HydrophobicContact CZ-CB 4.09Å; F102-Y152 VanDerWaalsContact CD1-O 3.25Å; F102-Y152 WeakPolarHBondContact CD1-O 3.44Å; F102-Y152 WeakPolarHBondContact CE1-O 3.17Å; F102-F153 HydrophobicContact CE1-CB 4.29Å; F102-L167 HydrophobicContact CZ-CD2 4.47Å
103	S	91.8	Very high	92.1	Very high	83 Å²	83	55.9 Å²	55.9	58%	0.58	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-18.8	-178	55.3	0	0	0	0	114.3	S99 V100 S105	S99-S103 PolarHBondContact O-N 2.89Å; V100-S103 PolarHBondContact O-OG 3.34Å; S103-S105 PolarHBondContact O-N 2.69Å
104	H	91.7	Very high	92.1	Very high	39 Å²	39	54.6 Å²	54.6	18%	0.181	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74	-9.6	173.8	60.6	-87.3	0	0	0	113.7	H101 F102 D142 H145 Y152 K155	H101-H104 PolarHBondContact O-CE1 3.44Å; H101-H104 PolarHBondContact O-ND1 3.17Å; F102-H104 PolarHBondContact O-N 2.95Å; F102-H104 VanDerWaalsContact O-N 3.15Å; H104-D142 IonicContact CD2-OD1 3.16Å; H104-D142 PolarHBondContact CD2-OD1 3.21Å; H104-D142 IonicContact CG-OD1 3.88Å; H104-H145 AromaticContact NE2-CG 3.86Å; H104-H145 AromaticContact NE2-ND1 3.85Å; H104-Y152 AromaticContact CD2-CD1 3.87Å; H104-Y152 PolarHBondContact CE1-O 3.49Å; H104-Y152 AromaticContact NE2-CD1 3.44Å; H104-Y152 WeakPolarHBondContact NE2-CD1 3.09Å; H104-Y152 AromaticContact NE2-CG 3.97Å; H104-K155 HydrophobicContact CB-CD 3.87Å
105	S	93.4	Very high	92	Very high	16 Å²	16	58.8 Å²	58.8	11%	0.112	32%	0.318	C	S	.	.	S	Bend	trans	-120.6	154.2	-177.7	179	0	0	0	0	111.1	F102 S103 F107 K108 H145	F102-S105 PolarHBondContact O-N 3.31Å; S103-S105 PolarHBondContact O-N 2.69Å; S105-F107 PolarHBondContact OG-N 3.2Å; S105-K108 WeakPolarHBondContact O-CG 3.37Å; S105-H145 VanDerWaalsContact CB-CD2 3.48Å; S105-H145 WeakPolarHBondContact CB-CD2 3.42Å; S105-H145 WeakPolarHBondContact CB-NE2 3.18Å; S105-H145 PolarHBondContact OG-CD2 3.08Å; S105-H145 PolarHBondContact OG-NE2 2.71Å
106	A	93.4	Very high	92.2	Very high	93 Å²	93	61.5 Å²	61.5	77%	0.769	34%	0.335	S	S	*	.	S	Bend	trans	-68	-26.4	166	0	0	0	0	0	111.5	K108	A106-K108 PolarHBondContact O-N 3.39Å
107	F	93.9	Very high	92.5	Very high	114 Å²	114	61.1 Å²	61.1	50%	0.5	33%	0.332	S	S	.	.			trans	-90.3	86.8	177.9	-57.8	-81.5	0	0	0	109.8	S105 R109 H145	S105-F107 PolarHBondContact OG-N 3.2Å; F107-R109 VanDerWaalsContact C-N 3.26Å; F107-R109 PolarHBondContact O-N 3.16Å; F107-H145 PolarHBondContact O-NE2 3.07Å
108	K	93.2	Very high	92.9	Very high	119 Å²	119	62.3 Å²	62.3	52%	0.517	34%	0.335	S	S	.	.			trans	-86	24.5	-170.8	-59.3	-174.4	178.5	-176.5	0	115.3	S99 S105 A106	S99-K108 VanDerWaalsContact CA-O 3.29Å; S99-K108 WeakPolarHBondContact CA-O 3.4Å; S105-K108 WeakPolarHBondContact O-CG 3.37Å; A106-K108 PolarHBondContact O-N 3.39Å
109	R	93.7	Very high	93.5	Very high	130 Å²	130	62.4 Å²	62.4	49%	0.491	33%	0.334	S	S	.	.	S	Bend	trans	-130.4	156.7	-179.7	66.5	-179.3	67.5	-173.3	3.2	109.4	F107	F107-R109 VanDerWaalsContact C-N 3.26Å; F107-R109 PolarHBondContact O-N 3.16Å
110	A	95.8	Very high	94	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	32%	0.324	C	S	.	.			trans	-66.8	145.1	172.8	0	0	0	0	0	110.5	L94 F102 F112 Q113 N151	L94-A110 HydrophobicContact CD1-CB 3.59Å; F102-A110 HydrophobicContact CE2-CB 3.92Å; F102-A110 HydrophobicContact CZ-CB 4.21Å; A110-F112 VanDerWaalsContact C-N 3.27Å; A110-F112 HydrophobicContact CB-CD1 3.8Å; A110-F112 HydrophobicContact CB-CE1 3.41Å; A110-F112 VanDerWaalsContact CB-CE1 3.41Å; A110-F112 HydrophobicContact CB-CZ 4.12Å; A110-F112 PolarHBondContact O-N 3.07Å; A110-Q113 HydrophobicContact CB-CG 4.5Å; A110-Q113 WeakPolarHBondContact O-CB 3.35Å; A110-Q113 PolarHBondContact O-N 3.18Å; A110-N151 WeakPolarHBondContact CA-OD1 3.49Å; A110-N151 WeakPolarHBondContact CB-OD1 3.39Å
111	N	96.5	Very high	94.5	Very high	6 Å²	6	56.6 Å²	56.6	3%	0.032	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-58.4	-35	-172.8	66.1	-8.5	0	0	0	113.7	Q113 D114 L117 I119 G148 N151	N111-Q113 PolarHBondContact O-N 3.17Å; N111-D114 VanDerWaalsContact O-CB 3.32Å; N111-D114 WeakPolarHBondContact O-CB 3.34Å; N111-D114 PolarHBondContact O-N 3.2Å; N111-D114 VanDerWaalsContact O-N 3.12Å; N111-L117 HydrophobicContact CB-CD1 4.05Å; N111-I119 HydrophobicContact CB-CD1 4.42Å; N111-I119 HydrophobicContact CB-CG1 4.15Å; N111-G148 WeakPolarHBondContact CB-O 3.3Å; N111-G148 PolarHBondContact ND2-O 3.29Å; N111-N151 PolarHBondContact N-OD1 2.85Å; N111-N151 PolarHBondContact OD1-ND2 2.9Å; N111-N151 PolarHBondContact OD1-OD1 3.39Å
112	F	95.9	Very high	94.8	Very high	31 Å²	31	55.6 Å²	55.6	14%	0.136	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-76.3	-8.1	177.6	69.2	-85.8	0	0	0	114	V90 I92 L94 A110 I119 P122 F124	V90-F112 HydrophobicContact CB-CD2 4.26Å; V90-F112 HydrophobicContact CG1-CB 4.49Å; V90-F112 HydrophobicContact CG1-CD2 3.68Å; V90-F112 HydrophobicContact CG1-CE2 4.1Å; V90-F112 HydrophobicContact CG1-CG 4.14Å; V90-F112 HydrophobicContact CG2-CB 4.2Å; I92-F112 HydrophobicContact CD1-CZ 4.25Å; I92-F112 HydrophobicContact CG1-CE2 4.27Å; I92-F112 HydrophobicContact CG1-CZ 4.38Å; L94-F112 HydrophobicContact CD1-CZ 4.23Å; L94-F112 HydrophobicContact CD2-CZ 4.38Å; L94-F112 HydrophobicContact CG-CZ 3.93Å; A110-F112 VanDerWaalsContact C-N 3.27Å; A110-F112 HydrophobicContact CB-CD1 3.8Å; A110-F112 HydrophobicContact CB-CE1 3.41Å; A110-F112 VanDerWaalsContact CB-CE1 3.41Å; A110-F112 HydrophobicContact CB-CZ 4.12Å; A110-F112 PolarHBondContact O-N 3.07Å; F112-I119 HydrophobicContact CB-CB 3.86Å; F112-I119 HydrophobicContact CB-CG1 4.43Å; F112-I119 HydrophobicContact CB-CG2 3.94Å; F112-P122 HydrophobicContact CB-CG 4.04Å; F112-P122 HydrophobicContact CD1-CB 3.81Å; F112-P122 HydrophobicContact CD1-CG 3.79Å; F112-P122 HydrophobicContact CE1-CB 4.28Å; F112-P122 HydrophobicContact CE1-CG 4.41Å; F112-P122 HydrophobicContact CG-CB 4.43Å; F112-P122 HydrophobicContact CG-CG 3.91Å; F112-F124 HydrophobicContact CE1-CE2 4.28Å; F112-F124 AromaticContact CE1-CZ 3.73Å; F112-F124 HydrophobicContact CE1-CZ 3.73Å; F112-F124 HydrophobicContact CZ-CZ 4.43Å
113	Q	94.6	Very high	95	Very high	75 Å²	75	55.6 Å²	55.6	35%	0.35	29%	0.293	S	S	.	.	G	3₁₀ helix	trans	-95.6	-1.4	168.8	-61.1	-178.6	-53.5	0	0	112	A110 N111 P115	A110-Q113 HydrophobicContact CB-CG 4.5Å; A110-Q113 WeakPolarHBondContact O-CB 3.35Å; A110-Q113 PolarHBondContact O-N 3.18Å; N111-Q113 PolarHBondContact O-N 3.17Å; Q113-P115 WeakPolarHBondContact O-CD 3.1Å
114	D	94.1	Very high	95.3	Very high	29 Å²	29	51.7 Å²	51.7	16%	0.155	27%	0.265	C	S	.	.			trans	-82.5	115.9	173.1	-166.2	-34.3	0	0	0	109.7	N111 L116 L117	N111-D114 VanDerWaalsContact O-CB 3.32Å; N111-D114 WeakPolarHBondContact O-CB 3.34Å; N111-D114 PolarHBondContact O-N 3.2Å; N111-D114 VanDerWaalsContact O-N 3.12Å; D114-L116 PolarHBondContact O-N 3.31Å; D114-L116 VanDerWaalsContact O-N 3.12Å; D114-L116 WeakPolarHBondContact OD1-CB 3.11Å; D114-L116 PolarHBondContact OD1-N 2.84Å; D114-L117 HydrophobicContact CB-CB 4.2Å; D114-L117 HydrophobicContact CB-CD1 3.87Å; D114-L117 HydrophobicContact CB-CG 3.88Å; D114-L117 PolarHBondContact O-N 2.85Å
115	P	92	Very high	95.7	Very high	105 Å²	105	49.8 Å²	49.8	68%	0.682	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-14	-179.5	28.8	-36.3	0	0	0	113.7	Q113	Q113-P115 WeakPolarHBondContact O-CD 3.1Å
116	L	94.2	Very high	95.9	Very high	150 Å²	150	49 Å²	49	79%	0.785	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.2	-10.9	176.5	-56.7	178.7	0	0	0	112.7	D114	D114-L116 PolarHBondContact O-N 3.31Å; D114-L116 VanDerWaalsContact O-N 3.12Å; D114-L116 WeakPolarHBondContact OD1-CB 3.11Å; D114-L116 PolarHBondContact OD1-N 2.84Å
117	L	95.3	Very high	96	Very high	44 Å²	44	44.9 Å²	44.9	23%	0.23	22%	0.216	C	C	.	.			trans	-113.8	118.9	-175.7	-55	-179.1	0	0	0	110.9	F85 N111 D114 I119	F85-L117 HydrophobicContact CE1-CB 4.5Å; F85-L117 HydrophobicContact CE1-CD2 4.24Å; N111-L117 HydrophobicContact CB-CD1 4.05Å; D114-L117 HydrophobicContact CB-CB 4.2Å; D114-L117 HydrophobicContact CB-CD1 3.87Å; D114-L117 HydrophobicContact CB-CG 3.88Å; D114-L117 PolarHBondContact O-N 2.85Å; L117-I119 VanDerWaalsContact C-N 3.32Å; L117-I119 HydrophobicContact CB-CD1 4.04Å; L117-I119 HydrophobicContact CB-CG1 3.88Å; L117-I119 PolarHBondContact O-N 3.27Å
118	H	95.2	Very high	96.2	Very high	123 Å²	123	39.4 Å²	39.4	57%	0.569	19%	0.192	S	C	*	.			trans	-83.2	77.3	173.1	-67.8	-166.1	0	0	0	110.2	F85 Y86 D87	F85-H118 CarbonylContact C-O 3.51Å; F85-H118 WeakPolarHBondContact CA-O 3.37Å; Y86-H118 PolarHBondContact N-O 2.93Å; D87-H118 IonicContact OD1-ND1 3.08Å; D87-H118 PolarHBondContact OD1-ND1 2.89Å
119	I	97.8	Very high	96.2	Very high	9 Å²	9	35.8 Å²	35.8	5%	0.046	18%	0.178	C	C	.	.	B	Isolated β-bridge	trans	-88.9	117.3	179.2	-53.8	-59	0	0	0	110.1	F85 V90 N111 F112 L117 P122	F85-I119 HydrophobicContact CD1-CD1 3.79Å; F85-I119 HydrophobicContact CD2-CD1 4.07Å; F85-I119 HydrophobicContact CE1-CD1 3.43Å; F85-I119 VanDerWaalsContact CE1-CD1 3.43Å; F85-I119 HydrophobicContact CE2-CD1 3.7Å; F85-I119 HydrophobicContact CG-CD1 4.1Å; F85-I119 HydrophobicContact CZ-CD1 3.38Å; V90-I119 VanDerWaalsContact CG2-O 3.23Å; V90-I119 WeakPolarHBondContact CG2-O 3.44Å; N111-I119 HydrophobicContact CB-CD1 4.42Å; N111-I119 HydrophobicContact CB-CG1 4.15Å; F112-I119 HydrophobicContact CB-CB 3.86Å; F112-I119 HydrophobicContact CB-CG1 4.43Å; F112-I119 HydrophobicContact CB-CG2 3.94Å; L117-I119 VanDerWaalsContact C-N 3.32Å; L117-I119 HydrophobicContact CB-CD1 4.04Å; L117-I119 HydrophobicContact CB-CG1 3.88Å; L117-I119 PolarHBondContact O-N 3.27Å; I119-P122 HydrophobicContact CG2-CG 4.33Å
120	G	97.4	Very high	96.2	Very high	1 Å²	1	32.2 Å²	32.2	1%	0.01	17%	0.167	C	C	.	.	S	Bend	trans	-98.5	-22.2	174.4	0	0	0	0	0	114	C84 Y86	C84-G120 PolarHBondContact O-N 3.2Å; Y86-G120 WeakPolarHBondContact O-CA 3.41Å; Y86-G120 PolarHBondContact O-N 3.13Å; Y86-G120 PolarHBondContact OH-O 2.77Å
121	L	98.4	Very high	95.9	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.167	C	C	.	.	S	Bend	trans	-134.1	101	174.1	173.5	66.4	0	0	0	110.1	A48 V53 C84 Y86	A48-L121 HydrophobicContact CB-CD1 4.14Å; A48-L121 HydrophobicContact CB-CD2 3.51Å; A48-L121 HydrophobicContact CB-CG 4.48Å; V53-L121 HydrophobicContact CG2-CD1 3.54Å; C84-L121 WeakPolarHBondContact CB-O 3.44Å; C84-L121 PolarHBondContact O-N 3.49Å; Y86-L121 HydrophobicContact CE1-CB 4.02Å
122	P	98.4	Very high	95.2	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.006	18%	0.184	C	C	.	.			trans	-63.1	134	169.2	-20.9	32.3	0	0	0	111.4	D54 A55 L56 V90 F112 I119 F124	D54-P122 WeakPolarHBondContact O-CD 3.36Å; A55-P122 CarbonylContact C-O 3.4Å; A55-P122 VanDerWaalsContact CA-O 3.28Å; A55-P122 WeakPolarHBondContact CA-O 3.28Å; A55-P122 HydrophobicContact CB-CB 4.38Å; L56-P122 PolarHBondContact N-O 3.5Å; V90-P122 HydrophobicContact CB-CG 4.47Å; V90-P122 HydrophobicContact CG1-CG 3.73Å; V90-P122 HydrophobicContact CG2-CG 3.84Å; F112-P122 HydrophobicContact CB-CG 4.04Å; F112-P122 HydrophobicContact CD1-CB 3.81Å; F112-P122 HydrophobicContact CD1-CG 3.79Å; F112-P122 HydrophobicContact CE1-CB 4.28Å; F112-P122 HydrophobicContact CE1-CG 4.41Å; F112-P122 HydrophobicContact CG-CB 4.43Å; F112-P122 HydrophobicContact CG-CG 3.91Å; I119-P122 HydrophobicContact CG2-CG 4.33Å; P122-F124 HydrophobicContact CB-CE2 3.95Å
123	V	98.7	Very high	94.6	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	131.1	171	-176.2	0	0	0	0	107.7	L56 L58 L80 C84 L150 N151	L56-V123 HydrophobicContact CB-CG1 4.43Å; L56-V123 HydrophobicContact CB-CG2 4.22Å; L56-V123 HydrophobicContact CD2-CG1 4.19Å; L56-V123 HydrophobicContact CD2-CG2 4.16Å; L56-V123 HydrophobicContact CG-CG1 4.24Å; L56-V123 CarbonylContact O-C 3.59Å; L56-V123 WeakPolarHBondContact O-CA 3.36Å; L58-V123 HydrophobicContact CD1-CG1 3.7Å; L58-V123 HydrophobicContact CG-CG1 4.03Å; L80-V123 HydrophobicContact CD2-CG2 4.21Å; C84-V123 VanDerWaalsContact SG-CG2 3.57Å; V123-L150 HydrophobicContact CB-CB 3.94Å; V123-L150 HydrophobicContact CG1-CB 4.14Å; V123-N151 WeakPolarHBondContact O-CB 3.47Å; V123-N151 PolarHBondContact O-N 3.07Å; V123-N151 PolarHBondContact O-ND2 2.73Å
124	F	98.6	Very high	94	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	134.1	172	-66.6	-98.1	0	0	0	108.9	A55 L56 L57 L58 F112 P122 N151 F153 L167	A55-F124 HydrophobicContact CB-CD2 4.03Å; A55-F124 HydrophobicContact CB-CE2 4.06Å; L56-F124 PolarHBondContact O-N 2.93Å; L57-F124 WeakPolarHBondContact CA-O 3.48Å; L57-F124 HydrophobicContact CD2-CB 3.79Å; L57-F124 HydrophobicContact CD2-CD2 4.23Å; L57-F124 HydrophobicContact CD2-CG 4.34Å; L58-F124 PolarHBondContact N-O 3.38Å; F112-F124 HydrophobicContact CE1-CE2 4.28Å; F112-F124 AromaticContact CE1-CZ 3.73Å; F112-F124 HydrophobicContact CE1-CZ 3.73Å; F112-F124 HydrophobicContact CZ-CZ 4.43Å; P122-F124 HydrophobicContact CB-CE2 3.95Å; F124-N151 WeakPolarHBondContact CA-O 3.17Å; F124-N151 HydrophobicContact CD1-CB 3.5Å; F124-N151 VanDerWaalsContact CD1-CB 3.5Å; F124-N151 HydrophobicContact CE1-CB 3.77Å; F124-N151 HydrophobicContact CG-CB 4.06Å; F124-F153 HydrophobicContact CB-CD1 4.24Å; F124-F153 HydrophobicContact CB-CE1 3.87Å; F124-L167 HydrophobicContact CD1-CD1 3.97Å; F124-L167 HydrophobicContact CE1-CD1 3.93Å
125	S	98.5	Very high	93.2	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	138.6	-179.1	-162	0	0	0	0	110.6	L58 N151 Y152 F153	L58-S125 WeakPolarHBondContact CB-OG 3.14Å; L58-S125 WeakPolarHBondContact O-CA 3.38Å; S125-N151 PolarHBondContact N-O 3.2Å; S125-N151 VanDerWaalsContact N-O 3.07Å; S125-Y152 WeakPolarHBondContact O-CA 3.21Å; S125-Y152 WeakPolarHBondContact O-CD2 3.46Å; S125-F153 VanDerWaalsContact O-CD1 3.26Å; S125-F153 WeakPolarHBondContact O-CD1 3.24Å; S125-F153 PolarHBondContact O-N 3Å
126	I	97.9	Very high	92.7	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	22%	0.222	C	C	.	.			trans	-87.9	167.4	153.4	60.5	170.4	0	0	0	108.7	L58 G60 L141 F153 I181 L212 H214	L58-I126 PolarHBondContact O-N 2.79Å; G60-I126 WeakPolarHBondContact CA-O 3.04Å; I126-L141 VanDerWaalsContact O-CD1 3.29Å; I126-L141 WeakPolarHBondContact O-CD1 3.47Å; I126-F153 HydrophobicContact CG2-CD1 4.26Å; I126-F153 HydrophobicContact CG2-CD2 4.49Å; I126-F153 HydrophobicContact CG2-CE1 3.85Å; I126-F153 HydrophobicContact CG2-CE2 4.15Å; I126-F153 HydrophobicContact CG2-CZ 3.8Å; I126-I181 WeakPolarHBondContact CD1-O 3.24Å; I126-L212 HydrophobicContact CD1-CB 4.37Å; I126-L212 HydrophobicContact CD1-CD2 4.38Å; I126-L212 HydrophobicContact CD1-CG 3.82Å; I126-L212 HydrophobicContact CG1-CD2 4.05Å; I126-L212 HydrophobicContact CG1-CG 4.04Å; I126-L212 HydrophobicContact CG2-CD2 4.28Å; I126-H214 HydrophobicContact CD1-CB 3.83Å
127	H	97.1	Very high	92.3	Very high	5 Å²	5	34.1 Å²	34.1	2%	0.023	20%	0.198	C	C	.	.			trans	-93.6	144.4	172.4	75.5	92.7	0	0	0	109.8	D131 L141 Y152 G182 F183	H127-D131 HydrophobicContact CB-CB 3.83Å; H127-L141 HydrophobicContact CB-CD1 3.79Å; H127-Y152 HydrophobicContact CB-CE2 3.76Å; H127-Y152 AromaticContact CD2-CE2 3.86Å; H127-Y152 AromaticContact CD2-CZ 3.87Å; H127-Y152 PolarHBondContact CD2-OH 3.23Å; H127-G182 CarbonylContact O-C 3.59Å; H127-G182 VanDerWaalsContact O-CA 3.28Å; H127-G182 WeakPolarHBondContact O-CA 3.22Å; H127-F183 PolarHBondContact CE1-N 2.95Å; H127-F183 PolarHBondContact CE1-O 3.46Å; H127-F183 PolarHBondContact O-N 2.8Å
128	G	96.6	Very high	92.1	Very high	0 Å²	0	36 Å²	36	0%	0	21%	0.208	C	C	.	.			trans	-96.3	-165.9	170.2	0	0	0	0	0	112.8	D61 D131 F183 H214	D61-G128 WeakPolarHBondContact OD1-CA 3.28Å; G128-D131 PolarHBondContact N-OD2 3.38Å; G128-D131 VanDerWaalsContact N-OD2 3.14Å; G128-F183 WeakPolarHBondContact O-CB 3.35Å; G128-H214 WeakPolarHBondContact CA-CD2 3.24Å; G128-H214 WeakPolarHBondContact CA-NE2 3.36Å
129	N	94.4	Very high	92	Very high	42 Å²	42	30.5 Å²	30.5	23%	0.225	18%	0.184	C	C	.	.	S	Bend	trans	-77.8	-21.4	178.6	64.8	-74	0	0	0	113.2	D61 F183 H214 H242	D61-N129 PolarHBondContact OD1-N 3.49Å; D61-N129 PolarHBondContact OD2-OD1 2.76Å; N129-F183 HydrophobicContact CB-CB 4.4Å; N129-F183 HydrophobicContact CB-CD1 3.61Å; N129-F183 HydrophobicContact CB-CD2 3.67Å; N129-F183 HydrophobicContact CB-CE1 3.64Å; N129-F183 HydrophobicContact CB-CE2 3.7Å; N129-F183 HydrophobicContact CB-CG 3.61Å; N129-F183 HydrophobicContact CB-CZ 3.67Å; N129-H214 PolarHBondContact OD1-NE2 2.77Å; N129-H214 VanDerWaalsContact OD1-NE2 3.16Å; N129-H242 PolarHBondContact OD1-CE1 3.25Å; N129-H242 PolarHBondContact OD1-ND1 2.9Å
130	H	92.7	Very high	91.8	Very high	55 Å²	55	30.3 Å²	30.3	26%	0.255	18%	0.184	S	C	.	.	S	Bend	trans	-81.9	-27.4	171.7	-74.8	-99.9	0	0	0	111.9	H23 D61 F63 H64 N66 D132	H23-H130 AromaticContact CE1-CD2 3.69Å; H23-H130 AromaticContact CE1-CG 4Å; D61-H130 WeakPolarHBondContact OD1-CB 3.27Å; D61-H130 IonicContact OD1-CD2 3.46Å; D61-H130 PolarHBondContact OD1-N 3.06Å; D61-H130 IonicContact OD2-CD2 3.8Å; D61-H130 PolarHBondContact OD2-CD2 3.02Å; D61-H130 IonicContact OD2-CG 3.91Å; F63-H130 VanDerWaalsContact O-CB 3.24Å; F63-H130 WeakPolarHBondContact O-CB 3.44Å; H64-H130 AromaticContact CE1-CE1 3.83Å; H64-H130 AromaticContact ND1-CE1 3.95Å; H64-H130 AromaticContact ND1-ND1 3.91Å; H64-H130 PolarHBondContact O-ND1 3.17Å; N66-H130 WeakPolarHBondContact CA-O 3.38Å; N66-H130 VanDerWaalsContact CB-O 3.28Å; N66-H130 WeakPolarHBondContact CB-O 3.49Å; N66-H130 PolarHBondContact N-O 2.88Å; H130-D132 PolarHBondContact O-N 3.5Å; H130-D132 VanDerWaalsContact O-N 3.09Å
131	D	89	Confident	91.8	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.005	18%	0.183	C	C	.	.	S	Bend	trans	-81.1	33.7	171.7	-56	-49.4	0	0	0	112.6	D61 L62 F63 H127 G128 C139	D61-D131 WeakPolarHBondContact CA-OD2 3.44Å; D61-D131 PolarHBondContact N-OD2 3.3Å; L62-D131 PolarHBondContact N-OD1 3.49Å; L62-D131 PolarHBondContact N-OD2 2.87Å; L62-D131 VanDerWaalsContact N-OD2 3.1Å; F63-D131 PolarHBondContact N-OD1 2.91Å; H127-D131 HydrophobicContact CB-CB 3.83Å; G128-D131 PolarHBondContact N-OD2 3.38Å; G128-D131 VanDerWaalsContact N-OD2 3.14Å; D131-C139 WeakPolarHBondContact O-CB 3.31Å
132	D	82.7	Confident	91.7	Very high	73 Å²	73	30.8 Å²	30.8	39%	0.39	19%	0.186	S	C	.	.			trans	-58.3	146.6	-167.3	-164.4	17.1	0	0	0	113.2	N66 H130 A134 C139	N66-D132 HydrophobicContact CB-CB 4.44Å; H130-D132 PolarHBondContact O-N 3.5Å; H130-D132 VanDerWaalsContact O-N 3.09Å; D132-A134 PolarHBondContact O-N 3.49Å; D132-C139 WeakPolarHBondContact O-CB 3.47Å
133	I	82.6	Confident	91.6	Very high	47 Å²	47	36.1 Å²	36.1	24%	0.241	21%	0.212	C	C	.	.			trans	-79.1	114.2	-179.6	-60.1	171.7	0	0	0	108	G137 K155	I133-G137 VanDerWaalsContact CG2-CA 3.49Å; I133-K155 HydrophobicContact CD1-CG 4.07Å
134	A	81.7	Confident	91.5	Very high	38 Å²	38	36.1 Å²	36.1	31%	0.314	21%	0.212	S	C	.	.			trans	-63	166.6	176.4	0	0	0	0	0	111.6	D132 N136 G137 L138	D132-A134 PolarHBondContact O-N 3.49Å; A134-N136 WeakPolarHBondContact CB-OD1 3.29Å; A134-N136 PolarHBondContact O-N 2.86Å; A134-G137 WeakPolarHBondContact O-CA 3.31Å; A134-G137 PolarHBondContact O-N 3.04Å; A134-L138 VanDerWaalsContact CB-O 3.3Å; A134-L138 WeakPolarHBondContact CB-O 3.16Å; A134-L138 PolarHBondContact N-O 2.69Å
135	S	77.9	Confident	91.5	Very high	137 Å²	137	36.4 Å²	36.4	96%	0.958	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-22.2	-179.4	51.9	0	0	0	0	115.1	G137	S135-G137 VanDerWaalsContact C-N 3.27Å
136	N	82.1	Confident	91.4	Very high	111 Å²	111	38.8 Å²	38.8	59%	0.594	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.7	3.8	175.4	65.3	-7.1	0	0	0	113.2	A134 L138	A134-N136 WeakPolarHBondContact CB-OD1 3.29Å; A134-N136 PolarHBondContact O-N 2.86Å; N136-L138 PolarHBondContact OD1-N 3.42Å; N136-L138 VanDerWaalsContact OD1-N 3.1Å
137	G	85.2	Confident	91.3	Very high	29 Å²	29	41.6 Å²	41.6	30%	0.299	26%	0.256	S	S	.	.	S	Bend	trans	82.1	10.5	-178.9	0	0	0	0	0	114.7	I133 A134 S135 K155	I133-G137 VanDerWaalsContact CG2-CA 3.49Å; A134-G137 WeakPolarHBondContact O-CA 3.31Å; A134-G137 PolarHBondContact O-N 3.04Å; S135-G137 VanDerWaalsContact C-N 3.27Å; G137-K155 WeakPolarHBondContact O-CE 3.4Å; G137-K155 PolarHBondContact O-NZ 3.5Å
138	L	91.4	Very high	91.4	Very high	84 Å²	84	41.8 Å²	41.8	44%	0.44	26%	0.259	S	S	.	.			trans	-113.1	145.4	-178.1	-61.3	175.6	0	0	0	112.6	A134 N136 D142	A134-L138 VanDerWaalsContact CB-O 3.3Å; A134-L138 WeakPolarHBondContact CB-O 3.16Å; A134-L138 PolarHBondContact N-O 2.69Å; N136-L138 PolarHBondContact OD1-N 3.42Å; N136-L138 VanDerWaalsContact OD1-N 3.1Å; L138-D142 WeakPolarHBondContact CA-OD2 3.37Å; L138-D142 HydrophobicContact CD2-CB 3.92Å
139	C	92.9	Very high	91.4	Very high	8 Å²	8	42.2 Å²	42.2	5%	0.054	26%	0.262	C	S	.	.			trans	-125.6	178.1	166.2	70.2	0	0	0	0	111.3	D131 D132 L141 D142	D131-C139 WeakPolarHBondContact O-CB 3.31Å; D132-C139 WeakPolarHBondContact O-CB 3.47Å; C139-L141 PolarHBondContact O-N 3.45Å; C139-D142 PolarHBondContact N-OD2 2.73Å; C139-D142 WeakPolarHBondContact O-CB 3.41Å; C139-D142 PolarHBondContact O-N 3.18Å; C139-D142 VanDerWaalsContact O-N 3.15Å; C139-D142 PolarHBondContact SG-OD2 3.19Å
140	A	94	Very high	91.6	Very high	5 Å²	5	40.3 Å²	40.3	4%	0.041	25%	0.251	C	S	.	.	H	α-helix	trans	-60.3	-31.9	179.5	0	0	0	0	0	113	F63 P68 D142 M143 L144	F63-A140 HydrophobicContact CD2-CB 3.51Å; F63-A140 HydrophobicContact CE2-CB 3.53Å; F63-A140 HydrophobicContact CG-CB 4.34Å; F63-A140 HydrophobicContact CZ-CB 4.38Å; P68-A140 HydrophobicContact CG-CB 4.13Å; A140-D142 PolarHBondContact O-N 3.41Å; A140-M143 PolarHBondContact O-N 3.12Å; A140-L144 PolarHBondContact O-N 2.97Å
141	L	96.9	Very high	91.9	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-68.2	-31.7	177.1	-62.2	-175.4	0	0	0	113	L62 I126 H127 C139 M143 L144 H145 L150 Y152	L62-L141 HydrophobicContact CB-CD2 4.11Å; L62-L141 HydrophobicContact CD2-CD2 3.66Å; I126-L141 VanDerWaalsContact O-CD1 3.29Å; I126-L141 WeakPolarHBondContact O-CD1 3.47Å; H127-L141 HydrophobicContact CB-CD1 3.79Å; C139-L141 PolarHBondContact O-N 3.45Å; L141-M143 PolarHBondContact O-N 3.39Å; L141-L144 HydrophobicContact CD2-CD1 4.25Å; L141-L144 PolarHBondContact O-N 3.21Å; L141-H145 WeakPolarHBondContact O-CB 3.45Å; L141-H145 PolarHBondContact O-N 3.13Å; L141-L150 HydrophobicContact CD2-CD2 4.05Å; L141-Y152 HydrophobicContact CB-CD1 3.94Å; L141-Y152 HydrophobicContact CB-CD2 4Å; L141-Y152 HydrophobicContact CB-CE1 4.23Å; L141-Y152 HydrophobicContact CB-CE2 4.33Å; L141-Y152 HydrophobicContact CB-CG 3.82Å; L141-Y152 HydrophobicContact CD1-CD2 3.84Å; L141-Y152 HydrophobicContact CD1-CE2 3.97Å; L141-Y152 HydrophobicContact CD1-CG 4.48Å
142	D	96.2	Very high	92.3	Very high	11 Å²	11	37.7 Å²	37.7	6%	0.059	24%	0.239	C	C	.	.	H	α-helix	trans	-60.6	-39	174.7	-71	-73.3	0	0	0	110.8	H104 L138 C139 A140 H145 A146 Y152 K155	H104-D142 IonicContact CD2-OD1 3.16Å; H104-D142 PolarHBondContact CD2-OD1 3.21Å; H104-D142 IonicContact CG-OD1 3.88Å; L138-D142 WeakPolarHBondContact CA-OD2 3.37Å; L138-D142 HydrophobicContact CD2-CB 3.92Å; C139-D142 PolarHBondContact N-OD2 2.73Å; C139-D142 WeakPolarHBondContact O-CB 3.41Å; C139-D142 PolarHBondContact O-N 3.18Å; C139-D142 VanDerWaalsContact O-N 3.15Å; C139-D142 PolarHBondContact SG-OD2 3.19Å; A140-D142 PolarHBondContact O-N 3.41Å; D142-H145 PolarHBondContact O-N 2.74Å; D142-A146 VanDerWaalsContact O-CB 3.28Å; D142-A146 WeakPolarHBondContact O-CB 3.37Å; D142-A146 PolarHBondContact O-N 2.84Å; D142-Y152 WeakPolarHBondContact OD1-CE1 3.45Å; D142-K155 IonicContact OD1-NZ 3.22Å; D142-K155 PolarHBondContact OD1-NZ 3.31Å; D142-K155 IonicContact OD2-NZ 2.67Å; D142-K155 PolarHBondContact OD2-NZ 2.97Å
143	M	95.6	Very high	93	Very high	112 Å²	112	34.2 Å²	34.2	55%	0.552	22%	0.221	S	C	*	.	H	α-helix	trans	-67.9	-41.5	178.2	-60.8	-177.6	64.5	0	0	111.8	Y73 A140 L141 A147	Y73-M143 HydrophobicContact CE1-CE 4.5Å; Y73-M143 HydrophobicContact CE2-CB 4.29Å; Y73-M143 WeakPolarHBondContact OH-CB 3.23Å; A140-M143 PolarHBondContact O-N 3.12Å; L141-M143 PolarHBondContact O-N 3.39Å; M143-A147 WeakPolarHBondContact O-CB 3.49Å; M143-A147 PolarHBondContact O-N 3.27Å; M143-A147 VanDerWaalsContact O-N 3.12Å
144	L	97.8	Very high	93.6	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-67.7	-38.8	176.6	-64.6	176.5	0	0	0	111.9	L62 F63 Y73 V77 L80 A140 L141 A147 G148 L149 L150	L62-L144 HydrophobicContact CD2-CD1 3.78Å; F63-L144 HydrophobicContact CE2-CD1 3.8Å; F63-L144 HydrophobicContact CZ-CD1 3.9Å; Y73-L144 HydrophobicContact CE2-CD2 3.93Å; Y73-L144 HydrophobicContact CE2-CG 4.08Å; Y73-L144 WeakPolarHBondContact OH-CD2 3.3Å; Y73-L144 PolarHBondContact OH-N 2.86Å; V77-L144 HydrophobicContact CG2-CD2 3.9Å; L80-L144 HydrophobicContact CD1-CD1 4.16Å; L80-L144 HydrophobicContact CD1-CD2 4.18Å; A140-L144 PolarHBondContact O-N 2.97Å; L141-L144 HydrophobicContact CD2-CD1 4.25Å; L141-L144 PolarHBondContact O-N 3.21Å; L144-A147 PolarHBondContact O-N 3.44Å; L144-G148 PolarHBondContact O-N 3.31Å; L144-L149 HydrophobicContact CB-CB 4.48Å; L144-L149 HydrophobicContact CD2-CD1 3.69Å; L144-L149 WeakPolarHBondContact O-CB 3.4Å; L144-L149 PolarHBondContact O-N 2.75Å; L144-L150 HydrophobicContact CB-CD1 4.34Å; L144-L150 HydrophobicContact CB-CD2 3.82Å; L144-L150 HydrophobicContact CB-CG 3.77Å; L144-L150 HydrophobicContact CD1-CD2 3.6Å; L144-L150 HydrophobicContact CD1-CG 4.48Å; L144-L150 HydrophobicContact CG-CD2 4.38Å
145	H	97.8	Very high	94.2	Very high	7 Å²	7	31.9 Å²	31.9	3%	0.032	20%	0.203	C	C	.	.	H	α-helix	trans	-63.8	-49.8	174.5	178.7	106.9	0	0	0	111.2	F102 H104 S105 F107 L141 D142 A147 G148 L150 Y152	F102-H145 AromaticContact CD1-CE1 3.36Å; F102-H145 WeakPolarHBondContact CD1-CE1 3.38Å; F102-H145 AromaticContact CE1-CE1 3.99Å; F102-H145 AromaticContact CG-CE1 3.71Å; H104-H145 AromaticContact NE2-CG 3.86Å; H104-H145 AromaticContact NE2-ND1 3.85Å; S105-H145 VanDerWaalsContact CB-CD2 3.48Å; S105-H145 WeakPolarHBondContact CB-CD2 3.42Å; S105-H145 WeakPolarHBondContact CB-NE2 3.18Å; S105-H145 PolarHBondContact OG-CD2 3.08Å; S105-H145 PolarHBondContact OG-NE2 2.71Å; F107-H145 PolarHBondContact O-NE2 3.07Å; L141-H145 WeakPolarHBondContact O-CB 3.45Å; L141-H145 PolarHBondContact O-N 3.13Å; D142-H145 PolarHBondContact O-N 2.74Å; H145-A147 PolarHBondContact O-N 3.4Å; H145-G148 WeakPolarHBondContact O-CA 3.07Å; H145-G148 PolarHBondContact O-N 3.22Å; H145-L150 WeakPolarHBondContact CA-O 3.03Å; H145-L150 HydrophobicContact CB-CD1 4.39Å; H145-Y152 PolarHBondContact ND1-N 2.94Å
146	A	96.5	Very high	94.9	Very high	49 Å²	49	27.6 Å²	27.6	41%	0.405	17%	0.166	S	C	.	.	H	α-helix	trans	-61.3	-28.2	179.3	0	0	0	0	0	112.8	D142 G148	D142-A146 VanDerWaalsContact O-CB 3.28Å; D142-A146 WeakPolarHBondContact O-CB 3.37Å; D142-A146 PolarHBondContact O-N 2.84Å; A146-G148 VanDerWaalsContact C-N 3.29Å
147	A	96.7	Very high	94.9	Very high	59 Å²	59	30.1 Å²	30.1	49%	0.488	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-2	173.5	0	0	0	0	0	114.2	M143 L144 H145 L149	M143-A147 WeakPolarHBondContact O-CB 3.49Å; M143-A147 PolarHBondContact O-N 3.27Å; M143-A147 VanDerWaalsContact O-N 3.12Å; L144-A147 PolarHBondContact O-N 3.44Å; H145-A147 PolarHBondContact O-N 3.4Å; A147-L149 VanDerWaalsContact C-N 3.29Å; A147-L149 HydrophobicContact CB-CD1 4Å; A147-L149 HydrophobicContact CB-CG 4.02Å; A147-L149 PolarHBondContact O-N 2.98Å
148	G	97.9	Very high	94.9	Very high	9 Å²	9	31.6 Å²	31.6	9%	0.093	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.3	12.6	-178.1	0	0	0	0	0	114.7	F85 N111 L144 H145 A146	F85-G148 WeakPolarHBondContact CZ-O 3.49Å; N111-G148 WeakPolarHBondContact CB-O 3.3Å; N111-G148 PolarHBondContact ND2-O 3.29Å; L144-G148 PolarHBondContact O-N 3.31Å; H145-G148 WeakPolarHBondContact O-CA 3.07Å; H145-G148 PolarHBondContact O-N 3.22Å; A146-G148 VanDerWaalsContact C-N 3.29Å
149	L	98.3	Very high	94.5	Very high	10 Å²	10	31.3 Å²	31.3	5%	0.052	18%	0.181	C	C	.	.	S	Bend	trans	-81	-27.3	-174.3	-62.9	170.3	0	0	0	113.2	V77 L80 F85 L144 A147	V77-L149 HydrophobicContact CB-CD1 4.18Å; V77-L149 HydrophobicContact CG1-CD1 3.9Å; V77-L149 HydrophobicContact CG2-CD1 3.77Å; L80-L149 HydrophobicContact CB-CB 4.29Å; L80-L149 HydrophobicContact CB-CD2 4.39Å; L80-L149 HydrophobicContact CD1-CB 3.99Å; F85-L149 HydrophobicContact CE2-CD2 3.6Å; F85-L149 HydrophobicContact CZ-CD2 3.88Å; L144-L149 HydrophobicContact CB-CB 4.48Å; L144-L149 HydrophobicContact CD2-CD1 3.69Å; L144-L149 WeakPolarHBondContact O-CB 3.4Å; L144-L149 PolarHBondContact O-N 2.75Å; A147-L149 VanDerWaalsContact C-N 3.29Å; A147-L149 HydrophobicContact CB-CD1 4Å; A147-L149 HydrophobicContact CB-CG 4.02Å; A147-L149 PolarHBondContact O-N 2.98Å
150	L	98.4	Very high	94.4	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.005	21%	0.21	C	C	.	.	S	Bend	trans	-152.9	170.2	174.7	62	77.4	0	0	0	111.4	L62 L80 V123 L141 L144 H145	L62-L150 HydrophobicContact CD2-CD2 4.12Å; L80-L150 HydrophobicContact CD1-CD2 4.34Å; V123-L150 HydrophobicContact CB-CB 3.94Å; V123-L150 HydrophobicContact CG1-CB 4.14Å; L141-L150 HydrophobicContact CD2-CD2 4.05Å; L144-L150 HydrophobicContact CB-CD1 4.34Å; L144-L150 HydrophobicContact CB-CD2 3.82Å; L144-L150 HydrophobicContact CB-CG 3.77Å; L144-L150 HydrophobicContact CD1-CD2 3.6Å; L144-L150 HydrophobicContact CD1-CG 4.48Å; L144-L150 HydrophobicContact CG-CD2 4.38Å; H145-L150 WeakPolarHBondContact CA-O 3.03Å; H145-L150 HydrophobicContact CB-CD1 4.39Å
151	N	98.2	Very high	94.4	Very high	1 Å²	1	41.6 Å²	41.6	1%	0.005	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	89.8	177.4	-56.3	-72.7	0	0	0	109.8	F102 A110 N111 V123 F124 S125	F102-N151 HydrophobicContact CE1-CB 4.11Å; F102-N151 HydrophobicContact CZ-CB 4.09Å; A110-N151 WeakPolarHBondContact CA-OD1 3.49Å; A110-N151 WeakPolarHBondContact CB-OD1 3.39Å; N111-N151 PolarHBondContact N-OD1 2.85Å; N111-N151 PolarHBondContact OD1-ND2 2.9Å; N111-N151 PolarHBondContact OD1-OD1 3.39Å; V123-N151 WeakPolarHBondContact O-CB 3.47Å; V123-N151 PolarHBondContact O-N 3.07Å; V123-N151 PolarHBondContact O-ND2 2.73Å; F124-N151 WeakPolarHBondContact CA-O 3.17Å; F124-N151 HydrophobicContact CD1-CB 3.5Å; F124-N151 VanDerWaalsContact CD1-CB 3.5Å; F124-N151 HydrophobicContact CE1-CB 3.77Å; F124-N151 HydrophobicContact CG-CB 4.06Å; S125-N151 PolarHBondContact N-O 3.2Å; S125-N151 VanDerWaalsContact N-O 3.07Å
152	Y	97.8	Very high	94.4	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	128.5	171.9	179.8	-151.5	0	0	0	111	F102 H104 S125 H127 L141 D142 H145 K155	F102-Y152 VanDerWaalsContact CD1-O 3.25Å; F102-Y152 WeakPolarHBondContact CD1-O 3.44Å; F102-Y152 WeakPolarHBondContact CE1-O 3.17Å; H104-Y152 AromaticContact CD2-CD1 3.87Å; H104-Y152 PolarHBondContact CE1-O 3.49Å; H104-Y152 AromaticContact NE2-CD1 3.44Å; H104-Y152 WeakPolarHBondContact NE2-CD1 3.09Å; H104-Y152 AromaticContact NE2-CG 3.97Å; S125-Y152 WeakPolarHBondContact O-CA 3.21Å; S125-Y152 WeakPolarHBondContact O-CD2 3.46Å; H127-Y152 HydrophobicContact CB-CE2 3.76Å; H127-Y152 AromaticContact CD2-CE2 3.86Å; H127-Y152 AromaticContact CD2-CZ 3.87Å; H127-Y152 PolarHBondContact CD2-OH 3.23Å; L141-Y152 HydrophobicContact CB-CD1 3.94Å; L141-Y152 HydrophobicContact CB-CD2 4Å; L141-Y152 HydrophobicContact CB-CE1 4.23Å; L141-Y152 HydrophobicContact CB-CE2 4.33Å; L141-Y152 HydrophobicContact CB-CG 3.82Å; L141-Y152 HydrophobicContact CD1-CD2 3.84Å; L141-Y152 HydrophobicContact CD1-CE2 3.97Å; L141-Y152 HydrophobicContact CD1-CG 4.48Å; D142-Y152 WeakPolarHBondContact OD1-CE1 3.45Å; H145-Y152 PolarHBondContact ND1-N 2.94Å; Y152-K155 HydrophobicContact CE1-CB 4.28Å; Y152-K155 HydrophobicContact CE1-CD 3.69Å; Y152-K155 HydrophobicContact CE1-CG 4.43Å; Y152-K155 HydrophobicContact CE2-CB 4.32Å
153	F	97.1	Very high	94.4	Very high	1 Å²	1	45.1 Å²	45.1	0%	0.004	25%	0.25	C	C	.	.			trans	-144.2	179.8	177.2	76.2	-66.6	0	0	0	110.8	H101 F102 F124 S125 I126 K155 L167 L178 L212	H101-F153 HydrophobicContact CB-CB 4.33Å; F102-F153 HydrophobicContact CE1-CB 4.29Å; F124-F153 HydrophobicContact CB-CD1 4.24Å; F124-F153 HydrophobicContact CB-CE1 3.87Å; S125-F153 VanDerWaalsContact O-CD1 3.26Å; S125-F153 WeakPolarHBondContact O-CD1 3.24Å; S125-F153 PolarHBondContact O-N 3Å; I126-F153 HydrophobicContact CG2-CD1 4.26Å; I126-F153 HydrophobicContact CG2-CD2 4.49Å; I126-F153 HydrophobicContact CG2-CE1 3.85Å; I126-F153 HydrophobicContact CG2-CE2 4.15Å; I126-F153 HydrophobicContact CG2-CZ 3.8Å; F153-K155 VanDerWaalsContact C-N 3.26Å; F153-K155 PolarHBondContact O-N 2.99Å; F153-L167 HydrophobicContact CB-CD1 4.28Å; F153-L167 HydrophobicContact CD2-CD1 3.91Å; F153-L167 HydrophobicContact CE2-CD1 4.42Å; F153-L167 HydrophobicContact CG-CD1 4.04Å; F153-L178 HydrophobicContact CE2-CD2 4.29Å; F153-L178 HydrophobicContact CE2-CG 4.09Å; F153-L178 HydrophobicContact CZ-CD1 4.47Å; F153-L178 HydrophobicContact CZ-CD2 3.93Å; F153-L178 HydrophobicContact CZ-CG 4.04Å; F153-L212 HydrophobicContact CE1-CD2 4.4Å; F153-L212 HydrophobicContact CZ-CD2 4.1Å
154	G	95.8	Very high	94.5	Very high	4 Å²	4	39.8 Å²	39.8	4%	0.041	22%	0.223	C	C	.	.			trans	69.8	19.8	178.4	0	0	0	0	0	114.6	Y156 G180 G182	G154-Y156 VanDerWaalsContact O-CD2 3.24Å; G154-Y156 WeakPolarHBondContact O-CD2 3.3Å; G154-Y156 VanDerWaalsContact O-CE2 3.23Å; G154-Y156 WeakPolarHBondContact O-CE2 3.46Å; G154-G180 WeakPolarHBondContact CA-O 3.04Å; G154-G182 PolarHBondContact O-N 3.42Å
155	K	94.6	Very high	94.4	Very high	31 Å²	31	40.8 Å²	40.8	14%	0.135	23%	0.232	C	C	.	.			trans	-85.7	124.3	173.9	-176.4	179.1	-172.1	164.5	0	110.1	H104 I133 G137 D142 Y152 F153	H104-K155 HydrophobicContact CB-CD 3.87Å; I133-K155 HydrophobicContact CD1-CG 4.07Å; G137-K155 WeakPolarHBondContact O-CE 3.4Å; G137-K155 PolarHBondContact O-NZ 3.5Å; D142-K155 IonicContact OD1-NZ 3.22Å; D142-K155 PolarHBondContact OD1-NZ 3.31Å; D142-K155 IonicContact OD2-NZ 2.67Å; D142-K155 PolarHBondContact OD2-NZ 2.97Å; Y152-K155 HydrophobicContact CE1-CB 4.28Å; Y152-K155 HydrophobicContact CE1-CD 3.69Å; Y152-K155 HydrophobicContact CE1-CG 4.43Å; Y152-K155 HydrophobicContact CE2-CB 4.32Å; F153-K155 VanDerWaalsContact C-N 3.26Å; F153-K155 PolarHBondContact O-N 2.99Å
156	Y	91.5	Very high	94.3	Very high	47 Å²	47	40.8 Å²	40.8	18%	0.184	23%	0.232	C	C	.	.			trans	-119.1	126	178.1	-60.1	-83.7	0	0	0	110.8	G154 I162 T163 V164 G180 I181 I184	G154-Y156 VanDerWaalsContact O-CD2 3.24Å; G154-Y156 WeakPolarHBondContact O-CD2 3.3Å; G154-Y156 VanDerWaalsContact O-CE2 3.23Å; G154-Y156 WeakPolarHBondContact O-CE2 3.46Å; Y156-I162 HydrophobicContact CD1-CB 3.73Å; Y156-I162 HydrophobicContact CD1-CG2 3.62Å; Y156-I162 HydrophobicContact CE1-CB 4.13Å; Y156-I162 HydrophobicContact CE1-CG2 4.48Å; Y156-I162 HydrophobicContact CG-CB 4.16Å; Y156-I162 HydrophobicContact CG-CG2 3.65Å; Y156-T163 WeakPolarHBondContact CE1-O 3.28Å; Y156-V164 HydrophobicContact CE1-CG2 4.48Å; Y156-V164 WeakPolarHBondContact OH-CG1 3.44Å; Y156-G180 WeakPolarHBondContact CE2-O 3.34Å; Y156-G180 PolarHBondContact OH-O 3.48Å; Y156-I181 HydrophobicContact CE2-CG1 4.37Å; Y156-I184 HydrophobicContact CD2-CD1 4.23Å
157	Q	81.8	Confident	94.3	Very high	164 Å²	164	38.4 Å²	38.4	77%	0.766	21%	0.213	S	C	*	.			trans	-87.7	-29.2	177.9	-67	-178.3	-19.2	0	0	112.7	V159	Q157-V159 PolarHBondContact O-N 3.44Å
158	S	85.8	Confident	94.3	Very high	60 Å²	60	36.4 Å²	36.4	42%	0.42	20%	0.195	S	C	.	.			trans	-69.4	131.7	-177.4	176.3	0	0	0	0	111	E160 E161	S158-E160 PolarHBondContact OG-N 2.85Å; S158-E161 WeakPolarHBondContact CB-O 3.07Å; S158-E161 PolarHBondContact OG-N 2.94Å; S158-E161 PolarHBondContact OG-O 3.48Å
159	V	83.9	Confident	94.2	Very high	78 Å²	78	36.1 Å²	36.1	47%	0.473	19%	0.191	S	C	.	.	S	Bend	trans	-90.8	-14	177.8	-178.5	0	0	0	0	111.5	Q157	Q157-V159 PolarHBondContact O-N 3.44Å
160	E	89.9	Confident	94.1	Very high	139 Å²	139	38.3 Å²	38.3	65%	0.65	20%	0.199	S	C	*	.	S	Bend	trans	-104.3	-44	-170.9	-60.8	-170.7	179.6	0	0	112.8	S158 K197	S158-E160 PolarHBondContact OG-N 2.85Å; E160-K197 WeakPolarHBondContact O-CB 3.4Å; E160-K197 WeakPolarHBondContact O-CD 3.41Å
161	E	94.9	Very high	94	Very high	90 Å²	90	39.2 Å²	39.2	42%	0.421	20%	0.203	S	C	.	.			trans	-149.6	140.2	-171.8	-175.2	-178.4	156.4	0	0	110.8	S158 K197 H199	S158-E161 WeakPolarHBondContact CB-O 3.07Å; S158-E161 PolarHBondContact OG-N 2.94Å; S158-E161 PolarHBondContact OG-O 3.48Å; E161-K197 WeakPolarHBondContact CA-O 3.46Å; E161-K197 HydrophobicContact CB-CB 4.12Å; E161-K197 HydrophobicContact CG-CB 4.06Å; E161-K197 WeakPolarHBondContact CG-O 3.43Å; E161-H199 IonicContact OE1-CD2 2.78Å; E161-H199 PolarHBondContact OE1-CD2 3.3Å; E161-H199 IonicContact OE1-NE2 3.27Å; E161-H199 PolarHBondContact OE1-NE2 3.5Å; E161-H199 VanDerWaalsContact OE1-NE2 3.08Å
162	I	96	Very high	93.7	Very high	3 Å²	3	42 Å²	42	2%	0.015	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	143	175.8	59.2	176.3	0	0	0	111.5	Y156 V164 I184 L189 M192 K197 V198 H199	Y156-I162 HydrophobicContact CD1-CB 3.73Å; Y156-I162 HydrophobicContact CD1-CG2 3.62Å; Y156-I162 HydrophobicContact CE1-CB 4.13Å; Y156-I162 HydrophobicContact CE1-CG2 4.48Å; Y156-I162 HydrophobicContact CG-CB 4.16Å; Y156-I162 HydrophobicContact CG-CG2 3.65Å; I162-V164 HydrophobicContact CD1-CG2 4.13Å; I162-V164 HydrophobicContact CG1-CG2 4.34Å; I162-I184 HydrophobicContact CD1-CD1 4.02Å; I162-L189 HydrophobicContact CD1-CD1 3.98Å; I162-M192 HydrophobicContact CB-CE 4.27Å; I162-M192 HydrophobicContact CD1-CE 4.45Å; I162-M192 HydrophobicContact CG1-CE 3.91Å; I162-M192 HydrophobicContact CG2-CE 3.85Å; I162-K197 PolarHBondContact N-O 2.85Å; I162-V198 HydrophobicContact CD1-CG1 3.98Å; I162-V198 HydrophobicContact CD1-CG2 4.16Å; I162-V198 HydrophobicContact CG1-CB 4.23Å; I162-V198 HydrophobicContact CG1-CG1 3.92Å; I162-V198 HydrophobicContact CG1-CG2 3.97Å; I162-H199 PolarHBondContact O-N 3.45Å
163	T	96.4	Very high	93.5	Very high	82 Å²	82	45.5 Å²	45.5	50%	0.503	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	111.4	170.1	-54	0	0	0	0	109	Y156 H199 V201	Y156-T163 WeakPolarHBondContact CE1-O 3.28Å; T163-H199 CarbonylContact C-O 3.6Å; T163-H199 VanDerWaalsContact CA-O 3.26Å; T163-H199 WeakPolarHBondContact CA-O 3.37Å; T163-V201 HydrophobicContact CG2-CG2 3.63Å
164	V	96.9	Very high	93.5	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	100.5	-177.4	-168.7	0	0	0	0	108.5	Y156 I162 Y179 I181 V198 H199 F200 V201	Y156-V164 HydrophobicContact CE1-CG2 4.48Å; Y156-V164 WeakPolarHBondContact OH-CG1 3.44Å; I162-V164 HydrophobicContact CD1-CG2 4.13Å; I162-V164 HydrophobicContact CG1-CG2 4.34Å; V164-Y179 HydrophobicContact CG1-CD1 3.87Å; V164-I181 HydrophobicContact CG1-CG1 4.13Å; V164-I181 HydrophobicContact CG2-CD1 4.07Å; V164-I181 HydrophobicContact CG2-CG1 4.1Å; V164-V198 HydrophobicContact CG2-CG1 4.13Å; V164-H199 PolarHBondContact N-O 2.79Å; V164-F200 HydrophobicContact CB-CD1 3.76Å; V164-F200 HydrophobicContact CB-CE1 3.91Å; V164-F200 HydrophobicContact CB-CG 4.2Å; V164-F200 HydrophobicContact CB-CZ 4.46Å; V164-F200 HydrophobicContact CG1-CD1 3.89Å; V164-F200 HydrophobicContact CG1-CE1 3.75Å; V164-F200 HydrophobicContact CG2-CD1 4.39Å; V164-F200 HydrophobicContact CG2-CE1 4.2Å; V164-F200 HydrophobicContact CG2-CZ 4.26Å; V164-F200 WeakPolarHBondContact O-CA 3.36Å; V164-V201 PolarHBondContact O-N 2.91Å
165	A	95.8	Very high	93.5	Very high	21 Å²	21	45.4 Å²	45.4	17%	0.174	26%	0.255	C	S	.	.			trans	-91.4	157	173.4	0	0	0	0	0	111.2	H101 V201	H101-A165 PolarHBondContact CE1-O 2.65Å; H101-A165 VanDerWaalsContact CE1-O 3.27Å; A165-V201 HydrophobicContact CB-CB 4.35Å; A165-V201 HydrophobicContact CB-CG2 4.09Å
166	P	96.9	Very high	93.7	Very high	7 Å²	7	43.9 Å²	43.9	5%	0.045	25%	0.249	C	C	.	.			trans	-85.4	156	171.4	30.8	-30.1	0	0	0	112.3	N96 H101 A177 L178 Y179	N96-P166 PolarHBondContact ND2-O 2.89Å; H101-P166 PolarHBondContact NE2-O 2.83Å; P166-A177 HydrophobicContact CB-CB 3.78Å; P166-A177 HydrophobicContact CG-CB 4.38Å; P166-L178 CarbonylContact C-O 3.58Å; P166-L178 WeakPolarHBondContact CA-O 3.23Å; P166-Y179 HydrophobicContact CB-CD1 4.15Å; P166-Y179 HydrophobicContact CB-CD2 4.12Å; P166-Y179 HydrophobicContact CB-CE1 3.79Å; P166-Y179 HydrophobicContact CB-CE2 3.73Å; P166-Y179 HydrophobicContact CB-CG 4.31Å; P166-Y179 VanDerWaalsContact CD-CE1 3.49Å; P166-Y179 HydrophobicContact CG-CE1 3.94Å; P166-Y179 HydrophobicContact CG-CE2 4.35Å
167	L	96.2	Very high	94	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	115.8	150.3	-74.4	165.1	0	0	0	107.7	L94 A98 H101 F102 F124 F153 I169 L178	L94-L167 HydrophobicContact CD1-CD2 4.42Å; A98-L167 HydrophobicContact CB-CD2 4.17Å; H101-L167 HydrophobicContact CB-CD2 4.11Å; H101-L167 WeakPolarHBondContact CD2-CD2 3.48Å; F102-L167 HydrophobicContact CZ-CD2 4.47Å; F124-L167 HydrophobicContact CD1-CD1 3.97Å; F124-L167 HydrophobicContact CE1-CD1 3.93Å; F153-L167 HydrophobicContact CB-CD1 4.28Å; F153-L167 HydrophobicContact CD2-CD1 3.91Å; F153-L167 HydrophobicContact CE2-CD1 4.42Å; F153-L167 HydrophobicContact CG-CD1 4.04Å; L167-I169 PolarHBondContact O-N 2.91Å; L167-L178 HydrophobicContact CB-CB 4.32Å; L167-L178 PolarHBondContact N-O 2.93Å; L167-L178 PolarHBondContact O-N 3.29Å
168	C	96.1	Very high	94.8	Very high	17 Å²	17	33.9 Å²	33.9	12%	0.115	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	104.6	179.3	-64.7	0	0	0	0	109.3	L94 E95 N96 L176	L94-C168 WeakPolarHBondContact CA-O 3.43Å; E95-C168 HydrophobicContact CB-CB 4.28Å; E95-C168 PolarHBondContact N-O 3.49Å; N96-C168 HydrophobicContact CB-CB 4.24Å; N96-C168 WeakPolarHBondContact OD1-CB 3.45Å; N96-C168 PolarHBondContact OD1-N 3.15Å; C168-L176 CarbonylContact C-O 3.58Å; C168-L176 WeakPolarHBondContact CA-O 3.43Å
169	I	96.6	Very high	95.4	Very high	2 Å²	2	31 Å²	31	1%	0.01	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	121	-178.6	-59.7	166.9	0	0	0	108.7	I14 I92 S93 L94 L167 L176 L178	I14-I169 HydrophobicContact CD1-CG2 4.33Å; I92-I169 HydrophobicContact CB-CG2 3.8Å; I92-I169 HydrophobicContact CD1-CG2 4.02Å; I92-I169 HydrophobicContact CG1-CG2 4.48Å; I92-I169 HydrophobicContact CG2-CG2 3.97Å; S93-I169 CarbonylContact O-C 3.55Å; S93-I169 WeakPolarHBondContact O-CA 3.28Å; L94-I169 HydrophobicContact CD2-CG1 3.63Å; L167-I169 PolarHBondContact O-N 2.91Å; I169-L176 HydrophobicContact CB-CB 4.23Å; I169-L176 HydrophobicContact CB-CD2 4.28Å; I169-L176 HydrophobicContact CB-CG 4.38Å; I169-L176 HydrophobicContact CD1-CD2 3.98Å; I169-L176 HydrophobicContact CD1-CG 4.5Å; I169-L176 PolarHBondContact N-O 2.91Å; I169-L176 PolarHBondContact O-N 3.12Å; I169-L178 HydrophobicContact CD1-CB 4.19Å; I169-L178 HydrophobicContact CD1-CD2 4.08Å
170	R	95.7	Very high	96	Very high	57 Å²	57	27.3 Å²	27.3	22%	0.215	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	140.6	176	-171.4	166.2	-57.2	-121.6	7.6	112.7	I92 S93 E95 G172 T174 E204	I92-R170 WeakPolarHBondContact CA-O 3.45Å; S93-R170 PolarHBondContact N-O 3.11Å; S93-R170 PolarHBondContact O-N 3.32Å; S93-R170 PolarHBondContact OG-O 3.24Å; E95-R170 HydrophobicContact CG-CB 3.87Å; E95-R170 WeakPolarHBondContact OE1-CD 3.49Å; E95-R170 IonicContact OE1-CZ 3.71Å; E95-R170 IonicContact OE1-NE 3.24Å; E95-R170 PolarHBondContact OE1-NE 3.26Å; E95-R170 IonicContact OE1-NH2 3.7Å; E95-R170 IonicContact OE2-CZ 3.25Å; E95-R170 VanDerWaalsContact OE2-CZ 3.22Å; E95-R170 IonicContact OE2-NE 2.96Å; E95-R170 PolarHBondContact OE2-NE 3.2Å; E95-R170 IonicContact OE2-NH2 3.57Å; E95-R170 PolarHBondContact OE2-NH2 2.79Å; R170-G172 WeakPolarHBondContact CG-O 3.39Å; R170-T174 WeakPolarHBondContact CA-O 3.12Å; R170-E204 IonicContact NH2-OE2 2.81Å; R170-E204 PolarHBondContact NH2-OE2 3.23Å
171	K	95.9	Very high	96.4	Very high	20 Å²	20	20.7 Å²	20.7	9%	0.087	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	108.3	168	-176.1	167.4	177.8	-169.8	0	110.7	S11 S13 I14 D54 N91 I92 S173 T174	S11-K171 VanDerWaalsContact O-CE 3.25Å; S11-K171 WeakPolarHBondContact O-CE 3.34Å; S13-K171 WeakPolarHBondContact O-CD 3.47Å; S13-K171 WeakPolarHBondContact O-CE 3.25Å; S13-K171 PolarHBondContact O-NZ 2.96Å; I14-K171 HydrophobicContact CD1-CB 4.23Å; I14-K171 HydrophobicContact CG1-CB 3.58Å; I14-K171 HydrophobicContact CG1-CD 4.23Å; D54-K171 IonicContact OD1-NZ 3.86Å; D54-K171 PolarHBondContact OD1-NZ 3.34Å; D54-K171 IonicContact OD2-NZ 3.47Å; D54-K171 PolarHBondContact OD2-NZ 2.8Å; N91-K171 WeakPolarHBondContact O-CG 3.35Å; I92-K171 HydrophobicContact CG2-CB 4.18Å; I92-K171 HydrophobicContact CG2-CD 4.17Å; K171-S173 PolarHBondContact O-N 3.22Å; K171-T174 PolarHBondContact N-O 2.56Å; K171-T174 PolarHBondContact O-N 3.3Å; K171-T174 VanDerWaalsContact O-N 3.1Å
172	G	93.3	Very high	96.4	Very high	60 Å²	60	16.4 Å²	16.4	62%	0.619	11%	0.11	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.2	-124.2	-172.9	0	0	0	0	0	110.6	R170	R170-G172 WeakPolarHBondContact CG-O 3.39Å
173	S	92.5	Very high	96.4	Very high	73 Å²	73	18 Å²	18	51%	0.51	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84	-10.4	177.9	53.7	0	0	0	0	114.7	E12 K171	E12-S173 PolarHBondContact OE1-OG 3.12Å; K171-S173 PolarHBondContact O-N 3.22Å
174	T	96.5	Very high	96.3	Very high	0 Å²	0	15 Å²	15	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	125.1	-178.7	-59.2	0	0	0	0	111	E12 I14 R170 K171 I284 G286	E12-T174 WeakPolarHBondContact O-CB 3.02Å; E12-T174 PolarHBondContact O-OG1 3.12Å; I14-T174 HydrophobicContact CD1-CG2 3.88Å; I14-T174 HydrophobicContact CG1-CG2 4.1Å; R170-T174 WeakPolarHBondContact CA-O 3.12Å; K171-T174 PolarHBondContact N-O 2.56Å; K171-T174 PolarHBondContact O-N 3.3Å; K171-T174 VanDerWaalsContact O-N 3.1Å; T174-I284 HydrophobicContact CG2-CG2 3.99Å; T174-G286 PolarHBondContact OG1-N 3.38Å; T174-G286 VanDerWaalsContact OG1-N 3.1Å
175	C	96.6	Very high	96.1	Very high	2 Å²	2	22.6 Å²	22.6	1%	0.014	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	137.5	168.3	177.8	0	0	0	0	110.5	C207 F208	C175-C207 HydrophobicContact CB-CB 3.84Å; C175-C207 WeakPolarHBondContact CB-SG 3.39Å; C175-C207 WeakPolarHBondContact O-CA 3.36Å; C175-C207 WeakPolarHBondContact SG-CB 3.44Å; C175-C207 CovalentContact SG-SG 2.04Å; C175-C207 PolarHBondContact SG-SG 2.76Å; C175-F208 PolarHBondContact O-N 2.97Å
176	L	98	Very high	96	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	126.5	173	161.7	65.1	0	0	0	109	I14 L16 C168 I169 F208 I210 I284	I14-L176 HydrophobicContact CD1-CB 3.67Å; I14-L176 HydrophobicContact CD1-CD2 4.4Å; I14-L176 HydrophobicContact CG2-CD2 4.25Å; L16-L176 HydrophobicContact CD1-CD2 3.79Å; L16-L176 HydrophobicContact CD2-CD2 4.45Å; C168-L176 CarbonylContact C-O 3.58Å; C168-L176 WeakPolarHBondContact CA-O 3.43Å; I169-L176 HydrophobicContact CB-CB 4.23Å; I169-L176 HydrophobicContact CB-CD2 4.28Å; I169-L176 HydrophobicContact CB-CG 4.38Å; I169-L176 HydrophobicContact CD1-CD2 3.98Å; I169-L176 HydrophobicContact CD1-CG 4.5Å; I169-L176 PolarHBondContact N-O 2.91Å; I169-L176 PolarHBondContact O-N 3.12Å; L176-F208 CarbonylContact C-O 3.44Å; L176-F208 WeakPolarHBondContact CA-O 3.32Å; L176-F208 HydrophobicContact CD1-CD1 4.34Å; L176-F208 WeakPolarHBondContact CD1-O 3.37Å; L176-I210 HydrophobicContact CD1-CB 4.08Å; L176-I210 HydrophobicContact CD1-CD1 3.66Å; L176-I210 HydrophobicContact CD1-CG1 3.61Å; L176-I284 HydrophobicContact CD1-CD1 4.21Å; L176-I284 HydrophobicContact CD2-CD1 4.36Å
177	A	97.9	Very high	95.8	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	104	169.7	0	0	0	0	0	109.2	P166 Y179 P203 C207 F208 C209 I210	P166-A177 HydrophobicContact CB-CB 3.78Å; P166-A177 HydrophobicContact CG-CB 4.38Å; A177-Y179 HydrophobicContact CB-CE2 3.79Å; A177-P203 HydrophobicContact CB-CB 3.54Å; A177-P203 HydrophobicContact CB-CG 3.97Å; A177-C207 HydrophobicContact CB-CB 4.09Å; A177-F208 PolarHBondContact N-O 2.86Å; A177-C209 WeakPolarHBondContact O-CA 3.2Å; A177-I210 PolarHBondContact O-N 2.91Å
178	L	98.2	Very high	95.7	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	109.5	-179	177.3	65	0	0	0	110.9	L57 F153 P166 L167 I169 I210	L57-L178 HydrophobicContact CD1-CD1 3.98Å; L57-L178 HydrophobicContact CD1-CD2 4.49Å; L57-L178 HydrophobicContact CD2-CD2 3.86Å; F153-L178 HydrophobicContact CE2-CD2 4.29Å; F153-L178 HydrophobicContact CE2-CG 4.09Å; F153-L178 HydrophobicContact CZ-CD1 4.47Å; F153-L178 HydrophobicContact CZ-CD2 3.93Å; F153-L178 HydrophobicContact CZ-CG 4.04Å; P166-L178 CarbonylContact C-O 3.58Å; P166-L178 WeakPolarHBondContact CA-O 3.23Å; L167-L178 HydrophobicContact CB-CB 4.32Å; L167-L178 PolarHBondContact N-O 2.93Å; L167-L178 PolarHBondContact O-N 3.29Å; I169-L178 HydrophobicContact CD1-CB 4.19Å; I169-L178 HydrophobicContact CD1-CD2 4.08Å; L178-I210 HydrophobicContact CD1-CB 4.07Å; L178-I210 HydrophobicContact CD1-CG2 3.88Å
179	Y	98.3	Very high	95.7	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	149.1	174.1	-61.9	-96.7	0	0	0	110.5	V164 P166 A177 F200 V201 P203 C209 I210 L212 F234 M235	V164-Y179 HydrophobicContact CG1-CD1 3.87Å; P166-Y179 HydrophobicContact CB-CD1 4.15Å; P166-Y179 HydrophobicContact CB-CD2 4.12Å; P166-Y179 HydrophobicContact CB-CE1 3.79Å; P166-Y179 HydrophobicContact CB-CE2 3.73Å; P166-Y179 HydrophobicContact CB-CG 4.31Å; P166-Y179 VanDerWaalsContact CD-CE1 3.49Å; P166-Y179 HydrophobicContact CG-CE1 3.94Å; P166-Y179 HydrophobicContact CG-CE2 4.35Å; A177-Y179 HydrophobicContact CB-CE2 3.79Å; Y179-F200 HydrophobicContact CD1-CD1 4.02Å; Y179-F200 HydrophobicContact CE1-CD1 4.32Å; Y179-V201 VanDerWaalsContact CE1-O 3.31Å; Y179-V201 WeakPolarHBondContact CE1-O 3.39Å; Y179-V201 PolarHBondContact OH-O 2.78Å; Y179-P203 WeakPolarHBondContact OH-CD 3.46Å; Y179-P203 WeakPolarHBondContact OH-CG 3.27Å; Y179-C209 HydrophobicContact CE2-CB 4.45Å; Y179-I210 PolarHBondContact N-O 3.03Å; Y179-L212 PolarHBondContact O-N 3.46Å; Y179-F234 HydrophobicContact CE2-CE2 4.03Å; Y179-F234 AromaticContact CZ-CE2 3.87Å; Y179-M235 HydrophobicContact CD1-CE 4.28Å; Y179-M235 HydrophobicContact CD2-CE 3.8Å; Y179-M235 HydrophobicContact CD2-SD 4.02Å; Y179-M235 HydrophobicContact CE2-CE 4.13Å; Y179-M235 HydrophobicContact CE2-SD 4.35Å; Y179-M235 HydrophobicContact CG-CE 3.9Å
180	G	97.7	Very high	95.6	Very high	1 Å²	1	29.6 Å²	29.6	1%	0.01	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	132	179	0	0	0	0	0	112.2	G154 Y156 L212	G154-G180 WeakPolarHBondContact CA-O 3.04Å; Y156-G180 WeakPolarHBondContact CE2-O 3.34Å; Y156-G180 PolarHBondContact OH-O 3.48Å; G180-L212 CarbonylContact C-O 3.57Å; G180-L212 WeakPolarHBondContact CA-O 3.12Å
181	I	97.4	Very high	95.5	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	99.3	167.7	-59.5	174.8	0	0	0	107.8	I126 Y156 V164 I184 L189 F200 L211 L212 L213 H214	I126-I181 WeakPolarHBondContact CD1-O 3.24Å; Y156-I181 HydrophobicContact CE2-CG1 4.37Å; V164-I181 HydrophobicContact CG1-CG1 4.13Å; V164-I181 HydrophobicContact CG2-CD1 4.07Å; V164-I181 HydrophobicContact CG2-CG1 4.1Å; I181-I184 HydrophobicContact CG2-CD1 4.24Å; I181-L189 HydrophobicContact CG2-CD2 4.14Å; I181-F200 HydrophobicContact CD1-CE1 4.42Å; I181-F200 HydrophobicContact CD1-CZ 3.93Å; I181-L211 HydrophobicContact CD1-CD1 4.28Å; I181-L211 HydrophobicContact CG1-CD1 4.21Å; I181-L212 PolarHBondContact N-O 2.76Å; I181-L213 HydrophobicContact CB-CD1 3.6Å; I181-L213 HydrophobicContact CD1-CD1 4.14Å; I181-L213 HydrophobicContact CG1-CD1 4.41Å; I181-L213 HydrophobicContact CG2-CD1 3.71Å; I181-H214 PolarHBondContact O-N 2.71Å
182	G	96	Very high	95.5	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.163	C	C	.	.			trans	-61.8	166	166.8	0	0	0	0	0	111.3	H127 G154 I184	H127-G182 CarbonylContact O-C 3.59Å; H127-G182 VanDerWaalsContact O-CA 3.28Å; H127-G182 WeakPolarHBondContact O-CA 3.22Å; G154-G182 PolarHBondContact O-N 3.42Å; G182-I184 PolarHBondContact O-N 2.85Å
183	F	95.5	Very high	95.7	Very high	37 Å²	37	31.2 Å²	31.2	16%	0.162	14%	0.138	C	C	.	.			trans	-56.6	126.2	-174.2	176.7	-104	0	0	0	112.6	H127 G128 N129 R185	H127-F183 PolarHBondContact CE1-N 2.95Å; H127-F183 PolarHBondContact CE1-O 3.46Å; H127-F183 PolarHBondContact O-N 2.8Å; G128-F183 WeakPolarHBondContact O-CB 3.35Å; N129-F183 HydrophobicContact CB-CB 4.4Å; N129-F183 HydrophobicContact CB-CD1 3.61Å; N129-F183 HydrophobicContact CB-CD2 3.67Å; N129-F183 HydrophobicContact CB-CE1 3.64Å; N129-F183 HydrophobicContact CB-CE2 3.7Å; N129-F183 HydrophobicContact CB-CG 3.61Å; N129-F183 HydrophobicContact CB-CZ 3.67Å; F183-R185 HydrophobicContact CE1-CG 4.28Å; F183-R185 HydrophobicContact CZ-CG 4.32Å
184	I	94.2	Very high	95.8	Very high	18 Å²	18	31.9 Å²	31.9	9%	0.092	14%	0.139	C	C	.	.			trans	-132.1	125.3	170.4	-62.8	169.2	0	0	0	104.5	Y156 I162 I181 G182 D186 R188 L189 Q215	Y156-I184 HydrophobicContact CD2-CD1 4.23Å; I162-I184 HydrophobicContact CD1-CD1 4.02Å; I181-I184 HydrophobicContact CG2-CD1 4.24Å; G182-I184 PolarHBondContact O-N 2.85Å; I184-D186 PolarHBondContact O-N 2.92Å; I184-R188 HydrophobicContact CG2-CB 4.31Å; I184-R188 HydrophobicContact CG2-CG 4.32Å; I184-L189 HydrophobicContact CB-CB 4.23Å; I184-L189 HydrophobicContact CD1-CD1 4.32Å; I184-L189 HydrophobicContact CG2-CB 3.99Å; I184-Q215 VanDerWaalsContact O-CD 3.28Å; I184-Q215 PolarHBondContact O-NE2 3.17Å; I184-Q215 PolarHBondContact O-OE1 3.23Å
185	R	92.9	Very high	95.8	Very high	159 Å²	159	35 Å²	35	60%	0.6	16%	0.161	S	C	*	.			trans	-39.3	125.7	-179.9	-64.8	-172.5	-177.5	-178.5	-0.6	112.1	F183 E187 R188 L189	F183-R185 HydrophobicContact CE1-CG 4.28Å; F183-R185 HydrophobicContact CZ-CG 4.32Å; R185-E187 VanDerWaalsContact C-N 3.29Å; R185-E187 PolarHBondContact O-N 3.32Å; R185-R188 HydrophobicContact CB-CB 4.45Å; R185-R188 WeakPolarHBondContact O-CA 3.35Å; R185-R188 VanDerWaalsContact O-CB 3.27Å; R185-R188 WeakPolarHBondContact O-CB 3.34Å; R185-R188 PolarHBondContact O-N 3.4Å; R185-L189 PolarHBondContact O-N 2.64Å; R185-L189 VanDerWaalsContact O-N 3.07Å
186	D	93.5	Very high	95.8	Very high	6 Å²	6	43.2 Å²	43.2	3%	0.032	20%	0.196	C	C	.	.	H	α-helix	trans	-54.2	-43.6	-168.3	-63.5	-89	0	0	0	112.5	I184 R188 L189 H190 Q215 N216 T223 N224	I184-D186 PolarHBondContact O-N 2.92Å; D186-R188 PolarHBondContact O-N 2.8Å; D186-L189 PolarHBondContact O-N 3.1Å; D186-H190 WeakPolarHBondContact O-CB 3.37Å; D186-H190 PolarHBondContact O-N 3.09Å; D186-Q215 PolarHBondContact OD1-OE1 3.38Å; D186-N216 WeakPolarHBondContact OD1-CB 3.34Å; D186-N216 PolarHBondContact OD1-N 2.92Å; D186-N216 PolarHBondContact OD2-ND2 2.71Å; D186-T223 CarbonylContact C-O 3.49Å; D186-N224 WeakPolarHBondContact CB-OD1 3.23Å; D186-N224 PolarHBondContact OD2-OD1 2.65Å
187	E	93.3	Very high	95.7	Very high	88 Å²	88	47 Å²	47	41%	0.411	21%	0.213	S	C	.	.	H	α-helix	trans	-63.2	-31.9	-178.9	-56.9	88.9	170.2	0	0	112.5	R185 R191 T223 N224	R185-E187 VanDerWaalsContact C-N 3.29Å; R185-E187 PolarHBondContact O-N 3.32Å; E187-R191 VanDerWaalsContact O-CB 3.31Å; E187-R191 WeakPolarHBondContact O-CB 3.4Å; E187-R191 PolarHBondContact O-N 2.83Å; E187-R191 VanDerWaalsContact O-N 3.13Å; E187-T223 WeakPolarHBondContact CA-O 3.41Å; E187-N224 HydrophobicContact CG-CB 4.31Å; E187-N224 PolarHBondContact OE1-OD1 3.17Å
188	R	93.2	Very high	95.7	Very high	79 Å²	79	47.8 Å²	47.8	30%	0.298	22%	0.217	S	C	.	.	H	α-helix	trans	-71.4	-51.6	176.1	-175.9	-171.8	-56.5	-179.6	1	109.9	I184 R185 D186 H190 R191 M192	I184-R188 HydrophobicContact CG2-CB 4.31Å; I184-R188 HydrophobicContact CG2-CG 4.32Å; R185-R188 HydrophobicContact CB-CB 4.45Å; R185-R188 WeakPolarHBondContact O-CA 3.35Å; R185-R188 VanDerWaalsContact O-CB 3.27Å; R185-R188 WeakPolarHBondContact O-CB 3.34Å; R185-R188 PolarHBondContact O-N 3.4Å; D186-R188 PolarHBondContact O-N 2.8Å; R188-H190 VanDerWaalsContact C-N 3.34Å; R188-H190 PolarHBondContact O-N 3.05Å; R188-R191 WeakPolarHBondContact O-CB 3.47Å; R188-R191 PolarHBondContact O-N 3.44Å; R188-M192 HydrophobicContact CG-SD 3.97Å; R188-M192 VanDerWaalsContact O-CG 3.28Å; R188-M192 WeakPolarHBondContact O-CG 3.09Å; R188-M192 PolarHBondContact O-N 2.81Å
189	L	95.6	Very high	95.6	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-64	-42.3	-178.1	-178.1	59.3	0	0	0	111	I162 I181 I184 R185 D186 R191 M192 F193 V198 L213 Q215 I226	I162-L189 HydrophobicContact CD1-CD1 3.98Å; I181-L189 HydrophobicContact CG2-CD2 4.14Å; I184-L189 HydrophobicContact CB-CB 4.23Å; I184-L189 HydrophobicContact CD1-CD1 4.32Å; I184-L189 HydrophobicContact CG2-CB 3.99Å; R185-L189 PolarHBondContact O-N 2.64Å; R185-L189 VanDerWaalsContact O-N 3.07Å; D186-L189 PolarHBondContact O-N 3.1Å; L189-R191 VanDerWaalsContact C-N 3.32Å; L189-R191 PolarHBondContact O-N 3.44Å; L189-M192 WeakPolarHBondContact O-CB 3.43Å; L189-M192 PolarHBondContact O-N 3.16Å; L189-M192 VanDerWaalsContact O-N 3.07Å; L189-F193 HydrophobicContact CD1-CD2 3.92Å; L189-F193 HydrophobicContact CD1-CE2 3.65Å; L189-F193 HydrophobicContact CD2-CE2 4.06Å; L189-F193 HydrophobicContact CG-CD2 3.82Å; L189-F193 HydrophobicContact CG-CE2 3.63Å; L189-F193 VanDerWaalsContact O-CD2 3.31Å; L189-F193 WeakPolarHBondContact O-CD2 3.25Å; L189-F193 PolarHBondContact O-N 3.27Å; L189-V198 HydrophobicContact CD1-CG2 4.08Å; L189-L213 HydrophobicContact CD2-CD1 4.48Å; L189-Q215 HydrophobicContact CD2-CG 3.85Å; L189-I226 HydrophobicContact CB-CD1 3.97Å; L189-I226 HydrophobicContact CD2-CD1 3.86Å; L189-I226 HydrophobicContact CD2-CG1 4.02Å; L189-I226 HydrophobicContact CG-CD1 3.72Å; L189-I226 HydrophobicContact CG-CG1 4.43Å
190	H	95.2	Very high	95.6	Very high	22 Å²	22	53.1 Å²	53.1	10%	0.102	24%	0.242	C	C	.	.	H	α-helix	trans	-56	-45.3	172.8	-176.4	-73.9	0	0	0	111.7	D186 R188 M192 F193 T194 T223 Y225 I226 F230	D186-H190 WeakPolarHBondContact O-CB 3.37Å; D186-H190 PolarHBondContact O-N 3.09Å; R188-H190 VanDerWaalsContact C-N 3.34Å; R188-H190 PolarHBondContact O-N 3.05Å; H190-M192 VanDerWaalsContact C-N 3.35Å; H190-M192 PolarHBondContact O-N 3.48Å; H190-F193 PolarHBondContact O-N 3.1Å; H190-T194 WeakPolarHBondContact O-CB 3.46Å; H190-T194 PolarHBondContact O-N 2.85Å; H190-T194 PolarHBondContact O-OG1 3.14Å; H190-T223 VanDerWaalsContact CB-O 3.3Å; H190-T223 WeakPolarHBondContact CB-O 3.44Å; H190-Y225 PolarHBondContact CD2-O 2.66Å; H190-Y225 VanDerWaalsContact CD2-O 3.29Å; H190-I226 HydrophobicContact CB-CD1 4.2Å; H190-F230 HydrophobicContact CB-CE2 4.42Å; H190-F230 AromaticContact CD2-CE2 3.45Å; H190-F230 VanDerWaalsContact CD2-CE2 3.45Å; H190-F230 WeakPolarHBondContact CD2-CE2 3.49Å; H190-F230 AromaticContact CD2-CZ 3.91Å; H190-F230 AromaticContact CE1-CZ 3.93Å; H190-F230 AromaticContact CG-CE2 3.84Å; H190-F230 AromaticContact NE2-CE2 3.67Å; H190-F230 AromaticContact NE2-CZ 3.6Å
191	R	94.4	Very high	95.5	Very high	147 Å²	147	56 Å²	56	56%	0.555	26%	0.259	S	S	*	.	H	α-helix	trans	-63.3	-40	175	-178.5	178.6	65.2	-147.4	0.9	112	E187 R188 L189 T194 S195	E187-R191 VanDerWaalsContact O-CB 3.31Å; E187-R191 WeakPolarHBondContact O-CB 3.4Å; E187-R191 PolarHBondContact O-N 2.83Å; E187-R191 VanDerWaalsContact O-N 3.13Å; R188-R191 WeakPolarHBondContact O-CB 3.47Å; R188-R191 PolarHBondContact O-N 3.44Å; L189-R191 VanDerWaalsContact C-N 3.32Å; L189-R191 PolarHBondContact O-N 3.44Å; R191-T194 PolarHBondContact O-N 3.09Å; R191-S195 VanDerWaalsContact O-CB 3.28Å; R191-S195 WeakPolarHBondContact O-CB 3.35Å; R191-S195 PolarHBondContact O-N 2.96Å; R191-S195 PolarHBondContact O-OG 3.29Å
192	M	96	Very high	95.2	Very high	4 Å²	4	60.4 Å²	60.4	2%	0.02	29%	0.287	C	S	.	.	H	α-helix	trans	-64.7	-44.8	178.2	-68.4	168.1	66.6	0	0	111.2	I162 R188 L189 H190 S195 K196 K197 V198	I162-M192 HydrophobicContact CB-CE 4.27Å; I162-M192 HydrophobicContact CD1-CE 4.45Å; I162-M192 HydrophobicContact CG1-CE 3.91Å; I162-M192 HydrophobicContact CG2-CE 3.85Å; R188-M192 HydrophobicContact CG-SD 3.97Å; R188-M192 VanDerWaalsContact O-CG 3.28Å; R188-M192 WeakPolarHBondContact O-CG 3.09Å; R188-M192 PolarHBondContact O-N 2.81Å; L189-M192 WeakPolarHBondContact O-CB 3.43Å; L189-M192 PolarHBondContact O-N 3.16Å; L189-M192 VanDerWaalsContact O-N 3.07Å; H190-M192 VanDerWaalsContact C-N 3.35Å; H190-M192 PolarHBondContact O-N 3.48Å; M192-S195 CarbonylContact O-C 3.57Å; M192-S195 PolarHBondContact O-N 3.37Å; M192-K196 PolarHBondContact O-N 3.09Å; M192-K197 HydrophobicContact CB-CB 4.29Å; M192-K197 PolarHBondContact O-N 2.74Å; M192-V198 HydrophobicContact CB-CG2 3.76Å
193	F	96.7	Very high	95	Very high	20 Å²	20	61.5 Å²	61.5	9%	0.088	30%	0.295	C	S	.	.	H	α-helix	trans	-59.5	-49.2	172.9	-84.5	-68.4	0	0	0	112.3	L189 H190 S195 K196 V198 F200 I226 F230 L231	L189-F193 HydrophobicContact CD1-CD2 3.92Å; L189-F193 HydrophobicContact CD1-CE2 3.65Å; L189-F193 HydrophobicContact CD2-CE2 4.06Å; L189-F193 HydrophobicContact CG-CD2 3.82Å; L189-F193 HydrophobicContact CG-CE2 3.63Å; L189-F193 VanDerWaalsContact O-CD2 3.31Å; L189-F193 WeakPolarHBondContact O-CD2 3.25Å; L189-F193 PolarHBondContact O-N 3.27Å; H190-F193 PolarHBondContact O-N 3.1Å; F193-S195 PolarHBondContact O-N 3.2Å; F193-K196 PolarHBondContact O-N 2.78Å; F193-V198 HydrophobicContact CD1-CB 3.83Å; F193-V198 HydrophobicContact CD1-CG1 4.18Å; F193-V198 HydrophobicContact CD1-CG2 3.92Å; F193-V198 HydrophobicContact CD2-CG2 4.13Å; F193-V198 HydrophobicContact CE1-CB 3.81Å; F193-V198 HydrophobicContact CE1-CG1 3.62Å; F193-V198 HydrophobicContact CE1-CG2 4.12Å; F193-V198 HydrophobicContact CE2-CG2 4.29Å; F193-V198 HydrophobicContact CG-CB 4.37Å; F193-V198 HydrophobicContact CG-CG2 3.93Å; F193-V198 HydrophobicContact CZ-CB 4.29Å; F193-V198 HydrophobicContact CZ-CG1 3.81Å; F193-V198 HydrophobicContact CZ-CG2 4.29Å; F193-F200 AromaticContact CE1-CE2 3.95Å; F193-F200 HydrophobicContact CE1-CE2 3.95Å; F193-F200 HydrophobicContact CZ-CE2 4.26Å; F193-F200 HydrophobicContact CZ-CZ 4.47Å; F193-I226 HydrophobicContact CD2-CD1 4.18Å; F193-I226 HydrophobicContact CE2-CD1 4.35Å; F193-I226 HydrophobicContact CE2-CG2 4.17Å; F193-F230 HydrophobicContact CB-CB 4.17Å; F193-F230 HydrophobicContact CB-CD1 4.33Å; F193-F230 HydrophobicContact CB-CD2 3.31Å; F193-F230 HydrophobicContact CB-CE2 3.62Å; F193-F230 HydrophobicContact CB-CG 3.71Å; F193-F230 HydrophobicContact CB-CZ 4.26Å; F193-F230 HydrophobicContact CD1-CB 3.68Å; F193-F230 HydrophobicContact CD1-CD2 4.33Å; F193-F230 HydrophobicContact CD1-CG 4.19Å; F193-F230 HydrophobicContact CD2-CB 4.19Å; F193-F230 AromaticContact CD2-CD2 3.72Å; F193-F230 HydrophobicContact CD2-CD2 3.72Å; F193-F230 HydrophobicContact CD2-CG 4.34Å; F193-F230 HydrophobicContact CE1-CB 3.99Å; F193-F230 VanDerWaalsContact CE1-O 3.29Å; F193-F230 WeakPolarHBondContact CE1-O 3.43Å; F193-F230 HydrophobicContact CE2-CB 4.48Å; F193-F230 HydrophobicContact CG-CB 3.78Å; F193-F230 AromaticContact CG-CD2 3.56Å; F193-F230 HydrophobicContact CG-CD2 3.56Å; F193-F230 HydrophobicContact CG-CE2 4.33Å; F193-F230 AromaticContact CG-CG 3.86Å; F193-F230 HydrophobicContact CG-CG 3.86Å; F193-F230 HydrophobicContact CZ-CB 4.39Å; F193-L231 HydrophobicContact CZ-CD2 4.22Å
194	T	95.3	Very high	94.7	Very high	87 Å²	87	65 Å²	65	53%	0.534	31%	0.311	S	S	.	.	H	α-helix	trans	-57.9	-38	177.7	-55.6	0	0	0	0	111.5	H190 R191 K196	H190-T194 WeakPolarHBondContact O-CB 3.46Å; H190-T194 PolarHBondContact O-N 2.85Å; H190-T194 PolarHBondContact O-OG1 3.14Å; R191-T194 PolarHBondContact O-N 3.09Å; T194-K196 VanDerWaalsContact C-N 3.27Å; T194-K196 PolarHBondContact O-N 2.98Å
195	S	96.1	Very high	94.2	Very high	65 Å²	65	71.7 Å²	71.7	46%	0.455	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.9	4.9	178.8	-48.8	0	0	0	0	113.6	R191 M192 F193 K197	R191-S195 VanDerWaalsContact O-CB 3.28Å; R191-S195 WeakPolarHBondContact O-CB 3.35Å; R191-S195 PolarHBondContact O-N 2.96Å; R191-S195 PolarHBondContact O-OG 3.29Å; M192-S195 CarbonylContact O-C 3.57Å; M192-S195 PolarHBondContact O-N 3.37Å; F193-S195 PolarHBondContact O-N 3.2Å; S195-K197 VanDerWaalsContact C-N 3.25Å; S195-K197 PolarHBondContact O-N 3.32Å
196	K	95.6	Very high	94.2	Very high	174 Å²	174	67.4 Å²	67.4	76%	0.757	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.1	35.5	-175.7	-54.8	-177.1	179.8	-177.7	0	114.1	M192 F193 T194 H199	M192-K196 PolarHBondContact O-N 3.09Å; F193-K196 PolarHBondContact O-N 2.78Å; T194-K196 VanDerWaalsContact C-N 3.27Å; T194-K196 PolarHBondContact O-N 2.98Å; K196-H199 PolarHBondContact O-CE1 3.02Å; K196-H199 PolarHBondContact O-NE2 2.95Å
197	K	97.2	Very high	94.3	Very high	80 Å²	80	67.1 Å²	67.1	35%	0.348	34%	0.34	S	S	.	.			trans	-99.9	21	177.1	-60.6	-166.4	177.7	-166.6	0	113.2	E160 E161 I162 M192 S195	E160-K197 WeakPolarHBondContact O-CB 3.4Å; E160-K197 WeakPolarHBondContact O-CD 3.41Å; E161-K197 WeakPolarHBondContact CA-O 3.46Å; E161-K197 HydrophobicContact CB-CB 4.12Å; E161-K197 HydrophobicContact CG-CB 4.06Å; E161-K197 WeakPolarHBondContact CG-O 3.43Å; I162-K197 PolarHBondContact N-O 2.85Å; M192-K197 HydrophobicContact CB-CB 4.29Å; M192-K197 PolarHBondContact O-N 2.74Å; S195-K197 VanDerWaalsContact C-N 3.25Å; S195-K197 PolarHBondContact O-N 3.32Å
198	V	97.6	Very high	94.5	Very high	17 Å²	17	63 Å²	63	10%	0.103	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	108.6	173	-177.7	0	0	0	0	106.4	I162 V164 L189 M192 F193 F200	I162-V198 HydrophobicContact CD1-CG1 3.98Å; I162-V198 HydrophobicContact CD1-CG2 4.16Å; I162-V198 HydrophobicContact CG1-CB 4.23Å; I162-V198 HydrophobicContact CG1-CG1 3.92Å; I162-V198 HydrophobicContact CG1-CG2 3.97Å; V164-V198 HydrophobicContact CG2-CG1 4.13Å; L189-V198 HydrophobicContact CD1-CG2 4.08Å; M192-V198 HydrophobicContact CB-CG2 3.76Å; F193-V198 HydrophobicContact CD1-CB 3.83Å; F193-V198 HydrophobicContact CD1-CG1 4.18Å; F193-V198 HydrophobicContact CD1-CG2 3.92Å; F193-V198 HydrophobicContact CD2-CG2 4.13Å; F193-V198 HydrophobicContact CE1-CB 3.81Å; F193-V198 HydrophobicContact CE1-CG1 3.62Å; F193-V198 HydrophobicContact CE1-CG2 4.12Å; F193-V198 HydrophobicContact CE2-CG2 4.29Å; F193-V198 HydrophobicContact CG-CB 4.37Å; F193-V198 HydrophobicContact CG-CG2 3.93Å; F193-V198 HydrophobicContact CZ-CB 4.29Å; F193-V198 HydrophobicContact CZ-CG1 3.81Å; F193-V198 HydrophobicContact CZ-CG2 4.29Å; V198-F200 HydrophobicContact CG1-CD2 4.11Å; V198-F200 HydrophobicContact CG1-CE2 3.57Å; V198-F200 HydrophobicContact CG1-CZ 4.32Å
199	H	96.8	Very high	94.8	Very high	79 Å²	79	59.3 Å²	59.3	37%	0.366	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	112.1	-174.1	-59.2	-70.4	0	0	0	109.7	E161 I162 T163 V164 K196	E161-H199 IonicContact OE1-CD2 2.78Å; E161-H199 PolarHBondContact OE1-CD2 3.3Å; E161-H199 IonicContact OE1-NE2 3.27Å; E161-H199 PolarHBondContact OE1-NE2 3.5Å; E161-H199 VanDerWaalsContact OE1-NE2 3.08Å; I162-H199 PolarHBondContact O-N 3.45Å; T163-H199 CarbonylContact C-O 3.6Å; T163-H199 VanDerWaalsContact CA-O 3.26Å; T163-H199 WeakPolarHBondContact CA-O 3.37Å; V164-H199 PolarHBondContact N-O 2.79Å; K196-H199 PolarHBondContact O-CE1 3.02Å; K196-H199 PolarHBondContact O-NE2 2.95Å
200	F	97.1	Very high	94.9	Very high	33 Å²	33	59.3 Å²	59.3	15%	0.145	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	129.4	173.4	-71.7	-102.3	0	0	0	110.2	V164 Y179 I181 F193 V198 P202 L211 P232 F234 M235	V164-F200 HydrophobicContact CB-CD1 3.76Å; V164-F200 HydrophobicContact CB-CE1 3.91Å; V164-F200 HydrophobicContact CB-CG 4.2Å; V164-F200 HydrophobicContact CB-CZ 4.46Å; V164-F200 HydrophobicContact CG1-CD1 3.89Å; V164-F200 HydrophobicContact CG1-CE1 3.75Å; V164-F200 HydrophobicContact CG2-CD1 4.39Å; V164-F200 HydrophobicContact CG2-CE1 4.2Å; V164-F200 HydrophobicContact CG2-CZ 4.26Å; V164-F200 WeakPolarHBondContact O-CA 3.36Å; Y179-F200 HydrophobicContact CD1-CD1 4.02Å; Y179-F200 HydrophobicContact CE1-CD1 4.32Å; I181-F200 HydrophobicContact CD1-CE1 4.42Å; I181-F200 HydrophobicContact CD1-CZ 3.93Å; F193-F200 AromaticContact CE1-CE2 3.95Å; F193-F200 HydrophobicContact CE1-CE2 3.95Å; F193-F200 HydrophobicContact CZ-CE2 4.26Å; F193-F200 HydrophobicContact CZ-CZ 4.47Å; V198-F200 HydrophobicContact CG1-CD2 4.11Å; V198-F200 HydrophobicContact CG1-CE2 3.57Å; V198-F200 HydrophobicContact CG1-CZ 4.32Å; F200-P202 WeakPolarHBondContact O-CD 3.26Å; F200-L211 HydrophobicContact CE1-CD1 4.21Å; F200-L211 HydrophobicContact CE1-CD2 4.34Å; F200-L211 HydrophobicContact CZ-CD2 4.4Å; F200-P232 HydrophobicContact CB-CG 3.91Å; F200-P232 HydrophobicContact CD1-CG 3.69Å; F200-P232 HydrophobicContact CD2-CG 3.34Å; F200-P232 HydrophobicContact CE1-CG 3.96Å; F200-P232 HydrophobicContact CE2-CG 3.64Å; F200-P232 HydrophobicContact CG-CG 3.37Å; F200-P232 HydrophobicContact CZ-CG 3.94Å; F200-F234 HydrophobicContact CB-CE1 4.18Å; F200-F234 HydrophobicContact CB-CZ 3.8Å; F200-F234 HydrophobicContact CG-CZ 4.44Å; F200-M235 HydrophobicContact CD1-CE 3.55Å; F200-M235 HydrophobicContact CE1-CE 3.61Å
201	V	95.8	Very high	95.1	Very high	62 Å²	62	58.3 Å²	58.3	38%	0.376	30%	0.303	S	S	.	.	P	Polyproline II helix	trans	-79	116.5	172.5	-175.9	0	0	0	0	107.6	T163 V164 A165 Y179	T163-V201 HydrophobicContact CG2-CG2 3.63Å; V164-V201 PolarHBondContact O-N 2.91Å; A165-V201 HydrophobicContact CB-CB 4.35Å; A165-V201 HydrophobicContact CB-CG2 4.09Å; Y179-V201 VanDerWaalsContact CE1-O 3.31Å; Y179-V201 WeakPolarHBondContact CE1-O 3.39Å; Y179-V201 PolarHBondContact OH-O 2.78Å
202	P	92.2	Very high	95.2	Very high	91 Å²	91	51.3 Å²	51.3	59%	0.591	28%	0.276	S	S	*	.	P	Polyproline II helix	trans	-64.7	144.9	-179.5	27.3	-33.9	0	0	0	110.6	F200	F200-P202 WeakPolarHBondContact O-CD 3.26Å
203	P	90.6	Very high	95.3	Very high	24 Å²	24	51.1 Å²	51.1	16%	0.156	28%	0.275	C	S	.	.			trans	-85.6	-177.9	176	32.8	-22.9	0	0	0	110.8	A177 Y179 C207 C209 F234	A177-P203 HydrophobicContact CB-CB 3.54Å; A177-P203 HydrophobicContact CB-CG 3.97Å; Y179-P203 WeakPolarHBondContact OH-CD 3.46Å; Y179-P203 WeakPolarHBondContact OH-CG 3.27Å; P203-C207 HydrophobicContact CB-CB 4.26Å; P203-C209 WeakPolarHBondContact CG-SG 3.14Å; P203-F234 HydrophobicContact CG-CD2 4.5Å
204	E	88.8	Confident	95.4	Very high	110 Å²	110	50.1 Å²	50.1	51%	0.514	27%	0.271	S	S	.	.			trans	-62.9	140.6	164.4	-58.1	176.9	179.3	0	0	110	R170 S206 C207	R170-E204 IonicContact NH2-OE2 2.81Å; R170-E204 PolarHBondContact NH2-OE2 3.23Å; E204-S206 PolarHBondContact O-N 2.8Å; E204-C207 WeakPolarHBondContact O-CB 3.38Å; E204-C207 PolarHBondContact O-N 3.07Å
205	D	85.2	Confident	95.5	Very high	158 Å²	158	46 Å²	46	85%	0.845	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.1	-27.7	-175	-66.5	-25.5	0	0	0	114	K287	D205-K287 WeakPolarHBondContact O-CE 3.42Å; D205-K287 PolarHBondContact O-NZ 2.95Å
206	S	91.3	Very high	95.5	Very high	69 Å²	69	43.8 Å²	43.8	48%	0.483	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-15	-178.7	74.2	0	0	0	0	114.8	E204	E204-S206 PolarHBondContact O-N 2.8Å
207	C	96.4	Very high	95.4	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.199	C	C	.	.	S	Bend	trans	-80.5	135.2	-172.9	-61.9	0	0	0	0	112.1	C175 A177 P203 E204 C209 K287	C175-C207 HydrophobicContact CB-CB 3.84Å; C175-C207 WeakPolarHBondContact CB-SG 3.39Å; C175-C207 WeakPolarHBondContact O-CA 3.36Å; C175-C207 WeakPolarHBondContact SG-CB 3.44Å; C175-C207 CovalentContact SG-SG 2.04Å; C175-C207 PolarHBondContact SG-SG 2.76Å; A177-C207 HydrophobicContact CB-CB 4.09Å; P203-C207 HydrophobicContact CB-CB 4.26Å; E204-C207 WeakPolarHBondContact O-CB 3.38Å; E204-C207 PolarHBondContact O-N 3.07Å; C207-C209 PolarHBondContact O-SG 3.26Å; C207-K287 VanDerWaalsContact O-CE 3.24Å; C207-K287 WeakPolarHBondContact O-CE 3.27Å; C207-K287 PolarHBondContact O-NZ 3.42Å
208	F	97.9	Very high	94.9	Very high	2 Å²	2	37.2 Å²	37.2	1%	0.009	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	128.6	169.2	-171.1	-90.6	0	0	0	109.9	C175 L176 A177 I210 D236 L237 I284 K287 F289	C175-F208 PolarHBondContact O-N 2.97Å; L176-F208 CarbonylContact C-O 3.44Å; L176-F208 WeakPolarHBondContact CA-O 3.32Å; L176-F208 HydrophobicContact CD1-CD1 4.34Å; L176-F208 WeakPolarHBondContact CD1-O 3.37Å; A177-F208 PolarHBondContact N-O 2.86Å; F208-I210 HydrophobicContact CD1-CD1 4.32Å; F208-I210 HydrophobicContact CD1-CG1 3.87Å; F208-I210 HydrophobicContact CE1-CD1 4.16Å; F208-I210 HydrophobicContact CE1-CG1 3.75Å; F208-D236 WeakPolarHBondContact CA-OD2 3.14Å; F208-D236 HydrophobicContact CD1-CB 4.25Å; F208-D236 HydrophobicContact CD2-CB 3.72Å; F208-D236 HydrophobicContact CE1-CB 3.94Å; F208-D236 HydrophobicContact CE2-CB 3.37Å; F208-D236 HydrophobicContact CG-CB 4.16Å; F208-D236 HydrophobicContact CZ-CB 3.48Å; F208-D236 VanDerWaalsContact CZ-CB 3.48Å; F208-L237 HydrophobicContact CE1-CB 3.96Å; F208-L237 HydrophobicContact CZ-CB 4.07Å; F208-I284 HydrophobicContact CB-CG2 3.73Å; F208-I284 HydrophobicContact CD1-CD1 3.96Å; F208-I284 HydrophobicContact CD1-CG1 4.19Å; F208-I284 HydrophobicContact CD1-CG2 3.97Å; F208-I284 HydrophobicContact CD2-CG2 4.2Å; F208-I284 HydrophobicContact CE1-CD1 4.22Å; F208-I284 HydrophobicContact CE1-CG1 4.28Å; F208-I284 HydrophobicContact CG-CG2 3.7Å; F208-K287 WeakPolarHBondContact CD2-O 3.45Å; F208-K287 WeakPolarHBondContact CE2-O 3.3Å; F208-F289 HydrophobicContact CE1-CB 4.41Å; F208-F289 HydrophobicContact CE2-CB 4Å; F208-F289 AromaticContact CE2-CD1 3.7Å; F208-F289 HydrophobicContact CE2-CD1 3.7Å; F208-F289 HydrophobicContact CE2-CG 4.17Å; F208-F289 HydrophobicContact CZ-CB 3.74Å; F208-F289 AromaticContact CZ-CD1 3.45Å; F208-F289 HydrophobicContact CZ-CD1 3.45Å; F208-F289 VanDerWaalsContact CZ-CD1 3.45Å; F208-F289 HydrophobicContact CZ-CE1 4.2Å; F208-F289 AromaticContact CZ-CG 3.68Å; F208-F289 HydrophobicContact CZ-CG 3.68Å
209	C	98.2	Very high	94.3	Very high	2 Å²	2	43.6 Å²	43.6	1%	0.014	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	118.4	-170.6	-58.8	0	0	0	0	111.3	A177 Y179 P203 C207 F234 M235 D236 L237	A177-C209 WeakPolarHBondContact O-CA 3.2Å; Y179-C209 HydrophobicContact CE2-CB 4.45Å; P203-C209 WeakPolarHBondContact CG-SG 3.14Å; C207-C209 PolarHBondContact O-SG 3.26Å; C209-F234 HydrophobicContact CB-CD2 4.38Å; C209-F234 WeakPolarHBondContact CB-O 3.45Å; C209-F234 PolarHBondContact SG-O 3.46Å; C209-M235 HydrophobicContact CB-SD 4.04Å; C209-D236 PolarHBondContact N-OD2 2.93Å; C209-D236 PolarHBondContact O-N 2.86Å; C209-L237 PolarHBondContact O-N 2.83Å
210	I	98.5	Very high	93.4	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	130.2	172.7	-62.8	-175.6	0	0	0	109.7	L16 L176 A177 L178 Y179 F208 L237 I239 I284	L16-I210 HydrophobicContact CD1-CD1 3.77Å; L176-I210 HydrophobicContact CD1-CB 4.08Å; L176-I210 HydrophobicContact CD1-CD1 3.66Å; L176-I210 HydrophobicContact CD1-CG1 3.61Å; A177-I210 PolarHBondContact O-N 2.91Å; L178-I210 HydrophobicContact CD1-CB 4.07Å; L178-I210 HydrophobicContact CD1-CG2 3.88Å; Y179-I210 PolarHBondContact N-O 3.03Å; F208-I210 HydrophobicContact CD1-CD1 4.32Å; F208-I210 HydrophobicContact CD1-CG1 3.87Å; F208-I210 HydrophobicContact CE1-CD1 4.16Å; F208-I210 HydrophobicContact CE1-CG1 3.75Å; I210-L237 CarbonylContact C-O 3.47Å; I210-L237 VanDerWaalsContact CA-O 3.25Å; I210-L237 WeakPolarHBondContact CA-O 3.39Å; I210-L237 HydrophobicContact CD1-CD2 4.3Å; I210-L237 HydrophobicContact CG1-CB 4.32Å; I210-L237 HydrophobicContact CG1-CD2 4.48Å; I210-I239 HydrophobicContact CG2-CD1 3.61Å; I210-I239 HydrophobicContact CG2-CG1 4.21Å; I210-I284 HydrophobicContact CD1-CD1 3.71Å
211	L	98.6	Very high	92.6	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	122.8	165.5	175.1	61.8	0	0	0	110.4	I181 F200 L213 L231 M235 L237 V238 I239	I181-L211 HydrophobicContact CD1-CD1 4.28Å; I181-L211 HydrophobicContact CG1-CD1 4.21Å; F200-L211 HydrophobicContact CE1-CD1 4.21Å; F200-L211 HydrophobicContact CE1-CD2 4.34Å; F200-L211 HydrophobicContact CZ-CD2 4.4Å; L211-L213 HydrophobicContact CG-CB 4.43Å; L211-L231 HydrophobicContact CD2-CD1 4.17Å; L211-L231 HydrophobicContact CD2-CD2 3.76Å; L211-L231 HydrophobicContact CD2-CG 4.43Å; L211-M235 HydrophobicContact CB-CE 4.17Å; L211-M235 HydrophobicContact CB-CG 4.49Å; L211-M235 HydrophobicContact CB-SD 3.89Å; L211-L237 PolarHBondContact N-O 3.37Å; L211-V238 HydrophobicContact CB-CG2 4.34Å; L211-V238 CarbonylContact O-C 3.51Å; L211-V238 WeakPolarHBondContact O-CA 3.45Å; L211-I239 PolarHBondContact O-N 3.22Å
212	L	98.4	Very high	92	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	119.9	168.1	-163.3	60.7	0	0	0	109	L58 I126 F153 Y179 G180 I181 I239	L58-L212 WeakPolarHBondContact O-CD2 3.31Å; I126-L212 HydrophobicContact CD1-CB 4.37Å; I126-L212 HydrophobicContact CD1-CD2 4.38Å; I126-L212 HydrophobicContact CD1-CG 3.82Å; I126-L212 HydrophobicContact CG1-CD2 4.05Å; I126-L212 HydrophobicContact CG1-CG 4.04Å; I126-L212 HydrophobicContact CG2-CD2 4.28Å; F153-L212 HydrophobicContact CE1-CD2 4.4Å; F153-L212 HydrophobicContact CZ-CD2 4.1Å; Y179-L212 PolarHBondContact O-N 3.46Å; G180-L212 CarbonylContact C-O 3.57Å; G180-L212 WeakPolarHBondContact CA-O 3.12Å; I181-L212 PolarHBondContact N-O 2.76Å; L212-I239 HydrophobicContact CD1-CB 3.53Å; L212-I239 HydrophobicContact CD1-CD1 4.16Å; L212-I239 HydrophobicContact CD1-CG1 4.47Å; L212-I239 HydrophobicContact CD1-CG2 3.41Å; L212-I239 VanDerWaalsContact CD1-CG2 3.41Å
213	L	97.9	Very high	91.8	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	138.6	-173.9	178.4	68.7	0	0	0	110.1	I181 L189 L211 Q215 I226 L231 I239 W240 G241	I181-L213 HydrophobicContact CB-CD1 3.6Å; I181-L213 HydrophobicContact CD1-CD1 4.14Å; I181-L213 HydrophobicContact CG1-CD1 4.41Å; I181-L213 HydrophobicContact CG2-CD1 3.71Å; L189-L213 HydrophobicContact CD2-CD1 4.48Å; L211-L213 HydrophobicContact CG-CB 4.43Å; L213-Q215 HydrophobicContact CD1-CB 4.34Å; L213-Q215 HydrophobicContact CD1-CG 3.44Å; L213-Q215 VanDerWaalsContact CD1-CG 3.44Å; L213-Q215 HydrophobicContact CD2-CB 4.27Å; L213-Q215 HydrophobicContact CD2-CG 4.2Å; L213-Q215 HydrophobicContact CG-CB 4.08Å; L213-Q215 HydrophobicContact CG-CG 3.72Å; L213-I226 HydrophobicContact CD2-CG2 4.46Å; L213-L231 HydrophobicContact CD2-CD2 4.49Å; L213-I239 PolarHBondContact N-O 3.48Å; L213-W240 HydrophobicContact CD2-CD2 4.19Å; L213-W240 HydrophobicContact CD2-CE3 4.42Å; L213-W240 HydrophobicContact CD2-CH2 4.03Å; L213-W240 HydrophobicContact CD2-CZ2 3.76Å; L213-W240 HydrophobicContact CD2-CZ3 4.35Å; L213-G241 PolarHBondContact O-N 2.83Å
214	H	97.9	Very high	91.8	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	92.3	174.8	-164.1	101.7	0	0	0	110.7	D21 G59 D61 I126 G128 N129 I181 H242	D21-H214 IonicContact OD1-CE1 2.8Å; D21-H214 PolarHBondContact OD1-CE1 3.13Å; D21-H214 IonicContact OD2-CE1 3.72Å; G59-H214 PolarHBondContact O-ND1 3.39Å; D61-H214 VanDerWaalsContact CG-CE1 3.42Å; D61-H214 IonicContact OD1-CE1 2.77Å; D61-H214 IonicContact OD1-NE2 2.75Å; D61-H214 IonicContact OD2-CE1 2.71Å; D61-H214 IonicContact OD2-NE2 2.77Å; D61-H214 PolarHBondContact OD2-NE2 3.3Å; I126-H214 HydrophobicContact CD1-CB 3.83Å; G128-H214 WeakPolarHBondContact CA-CD2 3.24Å; G128-H214 WeakPolarHBondContact CA-NE2 3.36Å; N129-H214 PolarHBondContact OD1-NE2 2.77Å; N129-H214 VanDerWaalsContact OD1-NE2 3.16Å; I181-H214 PolarHBondContact O-N 2.71Å; H214-H242 AromaticContact CD2-CG 3.98Å; H214-H242 AromaticContact CD2-ND1 3.82Å; H214-H242 VanDerWaalsContact CE1-CA 3.46Å; H214-H242 WeakPolarHBondContact CE1-CA 3.44Å; H214-H242 PolarHBondContact CE1-N 3.44Å; H214-H242 PolarHBondContact ND1-N 2.91Å; H214-H242 WeakPolarHBondContact NE2-CA 3.24Å; H214-H242 WeakPolarHBondContact NE2-CB 3.42Å; H214-H242 AromaticContact NE2-CG 3.8Å; H214-H242 AromaticContact NE2-ND1 3.37Å; H214-H242 PolarHBondContact NE2-ND1 2.87Å
215	Q	97.1	Very high	92.1	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.216	C	C	.	.	S	Bend	trans	-156	164.5	-171	-64	-62.6	-25.4	0	0	111.2	I184 D186 L189 L213 R217 I226 W240	I184-Q215 VanDerWaalsContact O-CD 3.28Å; I184-Q215 PolarHBondContact O-NE2 3.17Å; I184-Q215 PolarHBondContact O-OE1 3.23Å; D186-Q215 PolarHBondContact OD1-OE1 3.38Å; L189-Q215 HydrophobicContact CD2-CG 3.85Å; L213-Q215 HydrophobicContact CD1-CB 4.34Å; L213-Q215 HydrophobicContact CD1-CG 3.44Å; L213-Q215 VanDerWaalsContact CD1-CG 3.44Å; L213-Q215 HydrophobicContact CD2-CB 4.27Å; L213-Q215 HydrophobicContact CD2-CG 4.2Å; L213-Q215 HydrophobicContact CG-CB 4.08Å; L213-Q215 HydrophobicContact CG-CG 3.72Å; Q215-R217 PolarHBondContact O-N 3.11Å; Q215-I226 HydrophobicContact CB-CG1 3.9Å; Q215-I226 HydrophobicContact CG-CG1 3.94Å; Q215-W240 PolarHBondContact O-NE1 3.02Å
216	N	96.1	Very high	92.5	Very high	18 Å²	18	34.3 Å²	34.3	10%	0.096	18%	0.176	C	C	.	.			trans	-65.8	126.1	169.7	-74.4	-62.5	0	0	0	110.8	D186 Y225 I226 H242	D186-N216 WeakPolarHBondContact OD1-CB 3.34Å; D186-N216 PolarHBondContact OD1-N 2.92Å; D186-N216 PolarHBondContact OD2-ND2 2.71Å; N216-Y225 CarbonylContact O-C 3.57Å; N216-Y225 WeakPolarHBondContact O-CA 3.49Å; N216-I226 PolarHBondContact O-N 2.95Å; N216-H242 PolarHBondContact OD1-CD2 3.25Å; N216-H242 VanDerWaalsContact OD1-CD2 3.23Å; N216-H242 PolarHBondContact OD1-NE2 3.46Å
217	R	93.3	Very high	92.7	Very high	37 Å²	37	31.6 Å²	31.6	14%	0.14	16%	0.156	C	C	.	.			trans	-89.8	-41.3	170.3	-169.7	-179	173.9	-162.6	-0.2	110.1	Q215 E228 W240 E243 E251 H253	Q215-R217 PolarHBondContact O-N 3.11Å; R217-E228 IonicContact CZ-OE1 3.65Å; R217-E228 IonicContact NE-OE1 3.26Å; R217-E228 PolarHBondContact NE-OE1 2.99Å; R217-E228 IonicContact NH2-OE1 3.09Å; R217-E228 PolarHBondContact NH2-OE1 3.25Å; R217-W240 HydrophobicContact CB-CD2 4.17Å; R217-W240 HydrophobicContact CB-CG 4.42Å; R217-W240 HydrophobicContact CB-CZ2 3.94Å; R217-W240 HydrophobicContact CG-CD2 4.16Å; R217-W240 HydrophobicContact CG-CE3 4.41Å; R217-W240 HydrophobicContact CG-CH2 4.32Å; R217-W240 HydrophobicContact CG-CZ2 4.04Å; R217-W240 HydrophobicContact CG-CZ3 4.49Å; R217-E243 HydrophobicContact CB-CG 3.82Å; R217-E243 PolarHBondContact N-OE1 2.77Å; R217-E251 IonicContact NH1-OE2 2.8Å; R217-E251 IonicContact NH2-OE2 3.96Å; R217-H253 PolarHBondContact NH2-CE1 3.44Å; R217-H253 PolarHBondContact NH2-NE2 2.83Å
218	V	87.6	Confident	92.6	Very high	80 Å²	80	33.8 Å²	33.8	49%	0.485	17%	0.167	S	C	.	.	S	Bend	trans	-74.3	134.6	-179.3	-179.8	0	0	0	0	110.4	H220 Y225 E243	V218-H220 PolarHBondContact O-N 3.17Å; V218-Y225 WeakPolarHBondContact O-CB 3.39Å; V218-E243 PolarHBondContact N-OE1 2.97Å
219	R	85.6	Confident	92.4	Very high	151 Å²	151	40.6 Å²	40.6	57%	0.57	20%	0.199	S	C	*	.			trans	-69.7	95.4	177.3	-174.7	175.6	-171.5	-171.9	8.1	111.6	S221 Y225	R219-S221 WeakPolarHBondContact CG-O 3.49Å; R219-Y225 HydrophobicContact CB-CD1 4.18Å; R219-Y225 HydrophobicContact CB-CD2 4.17Å; R219-Y225 HydrophobicContact CB-CE1 4.16Å; R219-Y225 HydrophobicContact CB-CE2 4.13Å; R219-Y225 HydrophobicContact CB-CG 4.18Å; R219-Y225 HydrophobicContact CG-CD1 3.85Å; R219-Y225 HydrophobicContact CG-CE1 3.55Å; R219-Y225 HydrophobicContact CG-CE2 4.3Å; R219-Y225 HydrophobicContact CG-CG 4.37Å
220	H	78	Confident	92.2	Very high	116 Å²	116	43.1 Å²	43.1	54%	0.537	21%	0.21	S	C	.	.	S	Bend	trans	-82.9	-31.2	172.4	-69.5	-57	0	0	0	113.6	V218	V218-H220 PolarHBondContact O-N 3.17Å
221	S	80.4	Confident	92.1	Very high	45 Å²	45	43.4 Å²	43.4	32%	0.315	21%	0.211	S	C	.	.	S	Bend	trans	-147.6	-169.7	174.7	83.5	0	0	0	0	110.6	R219 T223 N224 Y225	R219-S221 WeakPolarHBondContact CG-O 3.49Å; S221-T223 PolarHBondContact O-N 3Å; S221-T223 PolarHBondContact OG-N 3.42Å; S221-N224 WeakPolarHBondContact OG-CB 3.15Å; S221-N224 PolarHBondContact OG-N 3.17Å; S221-Y225 WeakPolarHBondContact O-CD1 3.37Å; S221-Y225 WeakPolarHBondContact O-CE1 3.49Å
222	L	82.9	Confident	91.9	Very high	76 Å²	76	44.4 Å²	44.4	40%	0.398	22%	0.217	S	C	.	.	S	Bend	trans	-65.9	-24.3	175.3	-63	-177.3	0	0	0	113.7	A411	L222-A411 HydrophobicContact CD1-CB 3.66Å
223	T	87.3	Confident	91.7	Very high	47 Å²	47	50.8 Å²	50.8	29%	0.288	25%	0.247	S	C	.	.	S	Bend	trans	-134.9	-8.2	-173.3	59.4	0	0	0	0	114.1	D186 E187 H190 S221 Y225	D186-T223 CarbonylContact C-O 3.49Å; E187-T223 WeakPolarHBondContact CA-O 3.41Å; H190-T223 VanDerWaalsContact CB-O 3.3Å; H190-T223 WeakPolarHBondContact CB-O 3.44Å; S221-T223 PolarHBondContact O-N 3Å; S221-T223 PolarHBondContact OG-N 3.42Å; T223-Y225 PolarHBondContact O-N 3.29Å; T223-Y225 VanDerWaalsContact O-N 3.17Å
224	N	91.1	Very high	91.6	Very high	39 Å²	39	54.3 Å²	54.3	21%	0.209	26%	0.263	C	S	.	.	S	Bend	trans	-91.2	57.1	-177.5	-169	29.9	0	0	0	111	D186 E187 S221	D186-N224 WeakPolarHBondContact CB-OD1 3.23Å; D186-N224 PolarHBondContact OD2-OD1 2.65Å; E187-N224 HydrophobicContact CG-CB 4.31Å; E187-N224 PolarHBondContact OE1-OD1 3.17Å; S221-N224 WeakPolarHBondContact OG-CB 3.15Å; S221-N224 PolarHBondContact OG-N 3.17Å
225	Y	93.7	Very high	91.5	Very high	38 Å²	38	54.4 Å²	54.4	15%	0.149	26%	0.263	C	S	.	.	S	Bend	trans	-175.5	165.6	173.5	73.7	-65.2	0	0	0	108.8	H190 N216 V218 R219 S221 T223 P227	H190-Y225 PolarHBondContact CD2-O 2.66Å; H190-Y225 VanDerWaalsContact CD2-O 3.29Å; N216-Y225 CarbonylContact O-C 3.57Å; N216-Y225 WeakPolarHBondContact O-CA 3.49Å; V218-Y225 WeakPolarHBondContact O-CB 3.39Å; R219-Y225 HydrophobicContact CB-CD1 4.18Å; R219-Y225 HydrophobicContact CB-CD2 4.17Å; R219-Y225 HydrophobicContact CB-CE1 4.16Å; R219-Y225 HydrophobicContact CB-CE2 4.13Å; R219-Y225 HydrophobicContact CB-CG 4.18Å; R219-Y225 HydrophobicContact CG-CD1 3.85Å; R219-Y225 HydrophobicContact CG-CE1 3.55Å; R219-Y225 HydrophobicContact CG-CE2 4.3Å; R219-Y225 HydrophobicContact CG-CG 4.37Å; S221-Y225 WeakPolarHBondContact O-CD1 3.37Å; S221-Y225 WeakPolarHBondContact O-CE1 3.49Å; T223-Y225 PolarHBondContact O-N 3.29Å; T223-Y225 VanDerWaalsContact O-N 3.17Å; Y225-P227 HydrophobicContact CD2-CG 4.27Å; Y225-P227 HydrophobicContact CE2-CB 4.04Å; Y225-P227 HydrophobicContact CE2-CG 3.6Å
226	I	95.5	Very high	91.6	Very high	1 Å²	1	56.2 Å²	56.2	1%	0.005	27%	0.273	C	S	.	.			trans	-108.8	110.2	171.3	-59.4	-57.2	0	0	0	109.8	L189 H190 F193 L213 Q215 N216 F230 L231 W240	L189-I226 HydrophobicContact CB-CD1 3.97Å; L189-I226 HydrophobicContact CD2-CD1 3.86Å; L189-I226 HydrophobicContact CD2-CG1 4.02Å; L189-I226 HydrophobicContact CG-CD1 3.72Å; L189-I226 HydrophobicContact CG-CG1 4.43Å; H190-I226 HydrophobicContact CB-CD1 4.2Å; F193-I226 HydrophobicContact CD2-CD1 4.18Å; F193-I226 HydrophobicContact CE2-CD1 4.35Å; F193-I226 HydrophobicContact CE2-CG2 4.17Å; L213-I226 HydrophobicContact CD2-CG2 4.46Å; Q215-I226 HydrophobicContact CB-CG1 3.9Å; Q215-I226 HydrophobicContact CG-CG1 3.94Å; N216-I226 PolarHBondContact O-N 2.95Å; I226-F230 HydrophobicContact CG2-CB 4.4Å; I226-F230 HydrophobicContact CG2-CD2 4.29Å; I226-L231 HydrophobicContact CG2-CD2 4.38Å; I226-W240 HydrophobicContact CB-CH2 4.39Å; I226-W240 HydrophobicContact CB-CZ2 4.09Å; I226-W240 HydrophobicContact CG2-CH2 4.39Å; I226-W240 VanDerWaalsContact O-CH2 3.25Å; I226-W240 WeakPolarHBondContact O-CH2 3.43Å; I226-W240 WeakPolarHBondContact O-CZ2 3.44Å
227	P	94	Very high	91.7	Very high	11 Å²	11	55.3 Å²	55.3	7%	0.071	27%	0.268	C	S	.	.			trans	-59.7	140	171	-16.4	22.6	0	0	0	112.1	Y225 Q229 F230	Y225-P227 HydrophobicContact CD2-CG 4.27Å; Y225-P227 HydrophobicContact CE2-CB 4.04Å; Y225-P227 HydrophobicContact CE2-CG 3.6Å; P227-Q229 PolarHBondContact O-N 2.97Å; P227-Q229 VanDerWaalsContact O-N 3.11Å; P227-F230 HydrophobicContact CB-CD1 4.49Å; P227-F230 HydrophobicContact CB-CG 4.47Å; P227-F230 HydrophobicContact CG-CD1 4.43Å; P227-F230 HydrophobicContact CG-CD2 4.1Å; P227-F230 HydrophobicContact CG-CE1 4.2Å; P227-F230 HydrophobicContact CG-CE2 3.85Å; P227-F230 HydrophobicContact CG-CG 4.38Å; P227-F230 HydrophobicContact CG-CZ 3.9Å; P227-F230 WeakPolarHBondContact O-CB 3.38Å; P227-F230 PolarHBondContact O-N 3.33Å
228	E	94	Very high	91.9	Very high	46 Å²	46	53.6 Å²	53.6	22%	0.215	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-57	-29.7	177.3	-62.1	167.9	174.2	0	0	111.9	R217 F230 L231 W240 H253 I258	R217-E228 IonicContact CZ-OE1 3.65Å; R217-E228 IonicContact NE-OE1 3.26Å; R217-E228 PolarHBondContact NE-OE1 2.99Å; R217-E228 IonicContact NH2-OE1 3.09Å; R217-E228 PolarHBondContact NH2-OE1 3.25Å; E228-F230 PolarHBondContact O-N 2.9Å; E228-L231 PolarHBondContact O-N 3.43Å; E228-W240 HydrophobicContact CG-CZ3 4.28Å; E228-H253 VanDerWaalsContact CD-ND1 3.27Å; E228-H253 IonicContact OE1-CE1 3.32Å; E228-H253 PolarHBondContact OE1-CE1 2.83Å; E228-H253 VanDerWaalsContact OE1-CE1 3.27Å; E228-H253 IonicContact OE1-ND1 3.97Å; E228-H253 PolarHBondContact OE1-ND1 2.93Å; E228-H253 IonicContact OE1-NE2 3.75Å; E228-H253 IonicContact OE2-CE1 3.64Å; E228-H253 IonicContact OE2-CG 3.11Å; E228-H253 IonicContact OE2-ND1 3.82Å; E228-H253 PolarHBondContact OE2-ND1 3.47Å; E228-I258 HydrophobicContact CB-CD1 4.5Å; E228-I258 VanDerWaalsContact CD-CD1 3.49Å; E228-I258 HydrophobicContact CG-CD1 3.69Å; E228-I258 WeakPolarHBondContact OE1-CD1 3.5Å
229	Q	93.5	Very high	92.4	Very high	145 Å²	145	49.8 Å²	49.8	68%	0.678	24%	0.238	S	C	*	.	G	3₁₀ helix	trans	-69.2	-14.6	179.5	-53.9	81.3	20.5	0	0	114	P227 L231	P227-Q229 PolarHBondContact O-N 2.97Å; P227-Q229 VanDerWaalsContact O-N 3.11Å; Q229-L231 VanDerWaalsContact C-N 3.28Å
230	F	95.2	Very high	93	Very high	56 Å²	56	42.6 Å²	42.6	25%	0.246	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-75.8	-21	174.9	-73.4	-4	0	0	0	112.6	H190 F193 I226 P227 E228	H190-F230 HydrophobicContact CB-CE2 4.42Å; H190-F230 AromaticContact CD2-CE2 3.45Å; H190-F230 VanDerWaalsContact CD2-CE2 3.45Å; H190-F230 WeakPolarHBondContact CD2-CE2 3.49Å; H190-F230 AromaticContact CD2-CZ 3.91Å; H190-F230 AromaticContact CE1-CZ 3.93Å; H190-F230 AromaticContact CG-CE2 3.84Å; H190-F230 AromaticContact NE2-CE2 3.67Å; H190-F230 AromaticContact NE2-CZ 3.6Å; F193-F230 HydrophobicContact CB-CB 4.17Å; F193-F230 HydrophobicContact CB-CD1 4.33Å; F193-F230 HydrophobicContact CB-CD2 3.31Å; F193-F230 HydrophobicContact CB-CE2 3.62Å; F193-F230 HydrophobicContact CB-CG 3.71Å; F193-F230 HydrophobicContact CB-CZ 4.26Å; F193-F230 HydrophobicContact CD1-CB 3.68Å; F193-F230 HydrophobicContact CD1-CD2 4.33Å; F193-F230 HydrophobicContact CD1-CG 4.19Å; F193-F230 HydrophobicContact CD2-CB 4.19Å; F193-F230 AromaticContact CD2-CD2 3.72Å; F193-F230 HydrophobicContact CD2-CD2 3.72Å; F193-F230 HydrophobicContact CD2-CG 4.34Å; F193-F230 HydrophobicContact CE1-CB 3.99Å; F193-F230 VanDerWaalsContact CE1-O 3.29Å; F193-F230 WeakPolarHBondContact CE1-O 3.43Å; F193-F230 HydrophobicContact CE2-CB 4.48Å; F193-F230 HydrophobicContact CG-CB 3.78Å; F193-F230 AromaticContact CG-CD2 3.56Å; F193-F230 HydrophobicContact CG-CD2 3.56Å; F193-F230 HydrophobicContact CG-CE2 4.33Å; F193-F230 AromaticContact CG-CG 3.86Å; F193-F230 HydrophobicContact CG-CG 3.86Å; F193-F230 HydrophobicContact CZ-CB 4.39Å; I226-F230 HydrophobicContact CG2-CB 4.4Å; I226-F230 HydrophobicContact CG2-CD2 4.29Å; P227-F230 HydrophobicContact CB-CD1 4.49Å; P227-F230 HydrophobicContact CB-CG 4.47Å; P227-F230 HydrophobicContact CG-CD1 4.43Å; P227-F230 HydrophobicContact CG-CD2 4.1Å; P227-F230 HydrophobicContact CG-CE1 4.2Å; P227-F230 HydrophobicContact CG-CE2 3.85Å; P227-F230 HydrophobicContact CG-CG 4.38Å; P227-F230 HydrophobicContact CG-CZ 3.9Å; P227-F230 WeakPolarHBondContact O-CB 3.38Å; P227-F230 PolarHBondContact O-N 3.33Å; E228-F230 PolarHBondContact O-N 2.9Å
231	L	96.2	Very high	94	Very high	6 Å²	6	37 Å²	37	3%	0.031	19%	0.186	C	C	.	.	S	Bend	trans	-81	146.5	-175.4	-53.7	-177	0	0	0	111	F193 L211 L213 I226 E228 Q229 V238 W240 F256	F193-L231 HydrophobicContact CZ-CD2 4.22Å; L211-L231 HydrophobicContact CD2-CD1 4.17Å; L211-L231 HydrophobicContact CD2-CD2 3.76Å; L211-L231 HydrophobicContact CD2-CG 4.43Å; L213-L231 HydrophobicContact CD2-CD2 4.49Å; I226-L231 HydrophobicContact CG2-CD2 4.38Å; E228-L231 PolarHBondContact O-N 3.43Å; Q229-L231 VanDerWaalsContact C-N 3.28Å; L231-V238 HydrophobicContact CD1-CG1 3.9Å; L231-V238 HydrophobicContact CD1-CG2 3.93Å; L231-W240 HydrophobicContact CD1-CH2 4.31Å; L231-W240 HydrophobicContact CD1-CZ3 3.81Å; L231-F256 HydrophobicContact CB-CE1 4.05Å; L231-F256 HydrophobicContact CB-CZ 3.86Å; L231-F256 HydrophobicContact CD1-CE2 4.28Å; L231-F256 HydrophobicContact CD1-CZ 4.03Å; L231-F256 HydrophobicContact CG-CZ 4.45Å
232	P	94.9	Very high	94.7	Very high	20 Å²	20	36.5 Å²	36.5	13%	0.13	18%	0.178	C	C	.	.			trans	-64.6	142	-177.4	-19.9	31.6	0	0	0	113.1	F200 F234 M235	F200-P232 HydrophobicContact CB-CG 3.91Å; F200-P232 HydrophobicContact CD1-CG 3.69Å; F200-P232 HydrophobicContact CD2-CG 3.34Å; F200-P232 HydrophobicContact CE1-CG 3.96Å; F200-P232 HydrophobicContact CE2-CG 3.64Å; F200-P232 HydrophobicContact CG-CG 3.37Å; F200-P232 HydrophobicContact CZ-CG 3.94Å; P232-F234 HydrophobicContact CB-CD1 3.53Å; P232-F234 HydrophobicContact CB-CE1 3.25Å; P232-F234 HydrophobicContact CB-CE2 4.3Å; P232-F234 HydrophobicContact CB-CG 4.19Å; P232-F234 HydrophobicContact CB-CZ 3.67Å; P232-F234 HydrophobicContact CG-CE1 3.9Å; P232-F234 HydrophobicContact CG-CZ 3.95Å; P232-F234 PolarHBondContact O-N 3Å; P232-M235 HydrophobicContact CB-CE 4.42Å; P232-M235 HydrophobicContact CB-CG 4.41Å; P232-M235 HydrophobicContact CG-CE 3.94Å; P232-M235 WeakPolarHBondContact O-CG 3.35Å; P232-M235 PolarHBondContact O-N 3.47Å
233	E	93.8	Very high	95.3	Very high	135 Å²	135	33.8 Å²	33.8	63%	0.631	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-18	-178.7	-47.2	-169.2	156.8	0	0	113.6	M235 K255	E233-M235 VanDerWaalsContact C-N 3.26Å; E233-M235 PolarHBondContact O-N 3.49Å; E233-K255 HydrophobicContact CB-CD 4Å; E233-K255 HydrophobicContact CG-CD 3.64Å; E233-K255 WeakPolarHBondContact OE1-CE 3.49Å; E233-K255 IonicContact OE1-NZ 3.47Å; E233-K255 PolarHBondContact OE1-NZ 3.05Å
234	F	95.4	Very high	95.5	Very high	74 Å²	74	33.3 Å²	33.3	33%	0.325	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-4.8	179	67.3	-107.2	0	0	0	113.6	Y179 F200 P203 C209 P232	Y179-F234 HydrophobicContact CE2-CE2 4.03Å; Y179-F234 AromaticContact CZ-CE2 3.87Å; F200-F234 HydrophobicContact CB-CE1 4.18Å; F200-F234 HydrophobicContact CB-CZ 3.8Å; F200-F234 HydrophobicContact CG-CZ 4.44Å; P203-F234 HydrophobicContact CG-CD2 4.5Å; C209-F234 HydrophobicContact CB-CD2 4.38Å; C209-F234 WeakPolarHBondContact CB-O 3.45Å; C209-F234 PolarHBondContact SG-O 3.46Å; P232-F234 HydrophobicContact CB-CD1 3.53Å; P232-F234 HydrophobicContact CB-CE1 3.25Å; P232-F234 HydrophobicContact CB-CE2 4.3Å; P232-F234 HydrophobicContact CB-CG 4.19Å; P232-F234 HydrophobicContact CB-CZ 3.67Å; P232-F234 HydrophobicContact CG-CE1 3.9Å; P232-F234 HydrophobicContact CG-CZ 3.95Å; P232-F234 PolarHBondContact O-N 3Å
235	M	96.9	Very high	95.8	Very high	2 Å²	2	33.3 Å²	33.3	1%	0.01	16%	0.16	C	C	.	.			trans	-65.3	143.6	173.9	-65.3	-61.5	172.7	0	0	109.6	Y179 F200 C209 L211 P232 E233 V238 F256	Y179-M235 HydrophobicContact CD1-CE 4.28Å; Y179-M235 HydrophobicContact CD2-CE 3.8Å; Y179-M235 HydrophobicContact CD2-SD 4.02Å; Y179-M235 HydrophobicContact CE2-CE 4.13Å; Y179-M235 HydrophobicContact CE2-SD 4.35Å; Y179-M235 HydrophobicContact CG-CE 3.9Å; F200-M235 HydrophobicContact CD1-CE 3.55Å; F200-M235 HydrophobicContact CE1-CE 3.61Å; C209-M235 HydrophobicContact CB-SD 4.04Å; L211-M235 HydrophobicContact CB-CE 4.17Å; L211-M235 HydrophobicContact CB-CG 4.49Å; L211-M235 HydrophobicContact CB-SD 3.89Å; P232-M235 HydrophobicContact CB-CE 4.42Å; P232-M235 HydrophobicContact CB-CG 4.41Å; P232-M235 HydrophobicContact CG-CE 3.94Å; P232-M235 WeakPolarHBondContact O-CG 3.35Å; P232-M235 PolarHBondContact O-N 3.47Å; E233-M235 VanDerWaalsContact C-N 3.26Å; E233-M235 PolarHBondContact O-N 3.49Å; M235-V238 HydrophobicContact CB-CG2 4.41Å; M235-F256 HydrophobicContact CB-CB 4.28Å; M235-F256 HydrophobicContact CB-CD1 4.25Å; M235-F256 HydrophobicContact CB-CG 4.35Å; M235-F256 VanDerWaalsContact O-CB 3.26Å; M235-F256 WeakPolarHBondContact O-CB 3.5Å
236	D	97.5	Very high	95.9	Very high	37 Å²	37	33 Å²	33	20%	0.198	16%	0.163	C	C	.	.	S	Bend	trans	-100.7	-38.9	173.3	-64.2	-74.1	0	0	0	110.1	F208 C209 F257 K287	F208-D236 WeakPolarHBondContact CA-OD2 3.14Å; F208-D236 HydrophobicContact CD1-CB 4.25Å; F208-D236 HydrophobicContact CD2-CB 3.72Å; F208-D236 HydrophobicContact CE1-CB 3.94Å; F208-D236 HydrophobicContact CE2-CB 3.37Å; F208-D236 HydrophobicContact CG-CB 4.16Å; F208-D236 HydrophobicContact CZ-CB 3.48Å; F208-D236 VanDerWaalsContact CZ-CB 3.48Å; C209-D236 PolarHBondContact N-OD2 2.93Å; C209-D236 PolarHBondContact O-N 2.86Å; D236-F257 PolarHBondContact O-N 3.33Å; D236-K287 IonicContact OD2-NZ 3.91Å; D236-K287 PolarHBondContact OD2-NZ 3Å
237	L	98.4	Very high	96	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	130.9	-179.8	175.8	64.8	0	0	0	112	F208 C209 I210 L211 I239 F257 M259 V282 F289	F208-L237 HydrophobicContact CE1-CB 3.96Å; F208-L237 HydrophobicContact CZ-CB 4.07Å; C209-L237 PolarHBondContact O-N 2.83Å; I210-L237 CarbonylContact C-O 3.47Å; I210-L237 VanDerWaalsContact CA-O 3.25Å; I210-L237 WeakPolarHBondContact CA-O 3.39Å; I210-L237 HydrophobicContact CD1-CD2 4.3Å; I210-L237 HydrophobicContact CG1-CB 4.32Å; I210-L237 HydrophobicContact CG1-CD2 4.48Å; L211-L237 PolarHBondContact N-O 3.37Å; L237-I239 HydrophobicContact CD2-CG1 4.36Å; L237-I239 HydrophobicContact CG-CG1 4.32Å; L237-F257 CarbonylContact C-O 3.47Å; L237-F257 WeakPolarHBondContact CA-O 3.41Å; L237-F257 HydrophobicContact CD1-CB 3.86Å; L237-M259 HydrophobicContact CD1-CB 4.42Å; L237-M259 HydrophobicContact CD1-CG 3.81Å; L237-M259 HydrophobicContact CD1-SD 3.7Å; L237-M259 HydrophobicContact CD2-SD 3.98Å; L237-M259 HydrophobicContact CG-SD 4.42Å; L237-V282 HydrophobicContact CD2-CG1 4.43Å; L237-F289 HydrophobicContact CD1-CE2 4.43Å; L237-F289 HydrophobicContact CD1-CZ 4.46Å; L237-F289 HydrophobicContact CD2-CD2 4.47Å; L237-F289 HydrophobicContact CD2-CE2 4.37Å
238	V	98.4	Very high	96.1	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	124	172.3	-178.5	0	0	0	0	108.9	L211 L231 M235 W240 F256 F257 I258 M259	L211-V238 HydrophobicContact CB-CG2 4.34Å; L211-V238 CarbonylContact O-C 3.51Å; L211-V238 WeakPolarHBondContact O-CA 3.45Å; L231-V238 HydrophobicContact CD1-CG1 3.9Å; L231-V238 HydrophobicContact CD1-CG2 3.93Å; M235-V238 HydrophobicContact CB-CG2 4.41Å; V238-W240 HydrophobicContact CG1-CE3 3.83Å; V238-W240 HydrophobicContact CG1-CZ3 4.31Å; V238-F256 HydrophobicContact CB-CD2 4.31Å; V238-F256 HydrophobicContact CB-CE2 4.36Å; V238-F256 HydrophobicContact CG2-CD2 3.52Å; V238-F256 HydrophobicContact CG2-CE2 3.6Å; V238-F256 HydrophobicContact CG2-CG 4.17Å; V238-F256 HydrophobicContact CG2-CZ 4.31Å; V238-F257 PolarHBondContact N-O 3.39Å; V238-I258 HydrophobicContact CB-CG1 4.4Å; V238-I258 CarbonylContact O-C 3.58Å; V238-I258 WeakPolarHBondContact O-CA 3.48Å; V238-M259 PolarHBondContact O-N 3.12Å
239	I	98.5	Very high	96.3	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	114.2	174.1	-57.6	162.7	0	0	0	107.3	I18 L57 I210 L211 L212 L213 L237 M259 P261	I18-I239 HydrophobicContact CD1-CD1 3.47Å; I18-I239 VanDerWaalsContact CD1-CD1 3.47Å; I18-I239 HydrophobicContact CD1-CG1 4.14Å; I18-I239 HydrophobicContact CG1-CD1 3.96Å; I18-I239 HydrophobicContact CG2-CD1 4.03Å; I18-I239 HydrophobicContact CG2-CG1 4.45Å; I18-I239 HydrophobicContact CG2-CG2 3.63Å; L57-I239 HydrophobicContact CD1-CD1 4.39Å; I210-I239 HydrophobicContact CG2-CD1 3.61Å; I210-I239 HydrophobicContact CG2-CG1 4.21Å; L211-I239 PolarHBondContact O-N 3.22Å; L212-I239 HydrophobicContact CD1-CB 3.53Å; L212-I239 HydrophobicContact CD1-CD1 4.16Å; L212-I239 HydrophobicContact CD1-CG1 4.47Å; L212-I239 HydrophobicContact CD1-CG2 3.41Å; L212-I239 VanDerWaalsContact CD1-CG2 3.41Å; L213-I239 PolarHBondContact N-O 3.48Å; L237-I239 HydrophobicContact CD2-CG1 4.36Å; L237-I239 HydrophobicContact CG-CG1 4.32Å; I239-M259 WeakPolarHBondContact CA-O 3.5Å; I239-P261 HydrophobicContact CG2-CG 4.12Å
240	W	98.2	Very high	96.5	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	110.1	-174.1	-143.8	-64	0	0	0	110.3	L213 Q215 R217 I226 E228 L231 V238 I258 M259 Q260	L213-W240 HydrophobicContact CD2-CD2 4.19Å; L213-W240 HydrophobicContact CD2-CE3 4.42Å; L213-W240 HydrophobicContact CD2-CH2 4.03Å; L213-W240 HydrophobicContact CD2-CZ2 3.76Å; L213-W240 HydrophobicContact CD2-CZ3 4.35Å; Q215-W240 PolarHBondContact O-NE1 3.02Å; R217-W240 HydrophobicContact CB-CD2 4.17Å; R217-W240 HydrophobicContact CB-CG 4.42Å; R217-W240 HydrophobicContact CB-CZ2 3.94Å; R217-W240 HydrophobicContact CG-CD2 4.16Å; R217-W240 HydrophobicContact CG-CE3 4.41Å; R217-W240 HydrophobicContact CG-CH2 4.32Å; R217-W240 HydrophobicContact CG-CZ2 4.04Å; R217-W240 HydrophobicContact CG-CZ3 4.49Å; I226-W240 HydrophobicContact CB-CH2 4.39Å; I226-W240 HydrophobicContact CB-CZ2 4.09Å; I226-W240 HydrophobicContact CG2-CH2 4.39Å; I226-W240 VanDerWaalsContact O-CH2 3.25Å; I226-W240 WeakPolarHBondContact O-CH2 3.43Å; I226-W240 WeakPolarHBondContact O-CZ2 3.44Å; E228-W240 HydrophobicContact CG-CZ3 4.28Å; L231-W240 HydrophobicContact CD1-CH2 4.31Å; L231-W240 HydrophobicContact CD1-CZ3 3.81Å; V238-W240 HydrophobicContact CG1-CE3 3.83Å; V238-W240 HydrophobicContact CG1-CZ3 4.31Å; W240-I258 HydrophobicContact CE3-CG2 4.2Å; W240-I258 HydrophobicContact CZ3-CD1 4.47Å; W240-M259 PolarHBondContact N-O 3.25Å; W240-Q260 HydrophobicContact CB-CB 4.46Å
241	G	97.7	Very high	96.6	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	179.8	167.8	0	0	0	0	0	111.7	T20 L213 E243	T20-G241 VanDerWaalsContact OG1-CA 3.24Å; T20-G241 WeakPolarHBondContact OG1-CA 3.44Å; L213-G241 PolarHBondContact O-N 2.83Å; G241-E243 PolarHBondContact O-N 3.24Å
242	H	96.4	Very high	96.6	Very high	34 Å²	34	39.6 Å²	39.6	16%	0.157	20%	0.2	C	C	.	.	S	Bend	trans	83.6	-42.5	-174.1	-165.8	60	0	0	0	114.2	D21 N129 H214 N216 H244	D21-H242 VanDerWaalsContact OD1-CA 3.28Å; D21-H242 WeakPolarHBondContact OD1-CA 3.48Å; D21-H242 PolarHBondContact OD1-N 3.04Å; D21-H242 PolarHBondContact OD2-N 3.05Å; N129-H242 PolarHBondContact OD1-CE1 3.25Å; N129-H242 PolarHBondContact OD1-ND1 2.9Å; H214-H242 AromaticContact CD2-CG 3.98Å; H214-H242 AromaticContact CD2-ND1 3.82Å; H214-H242 VanDerWaalsContact CE1-CA 3.46Å; H214-H242 WeakPolarHBondContact CE1-CA 3.44Å; H214-H242 PolarHBondContact CE1-N 3.44Å; H214-H242 PolarHBondContact ND1-N 2.91Å; H214-H242 WeakPolarHBondContact NE2-CA 3.24Å; H214-H242 WeakPolarHBondContact NE2-CB 3.42Å; H214-H242 AromaticContact NE2-CG 3.8Å; H214-H242 AromaticContact NE2-ND1 3.37Å; H214-H242 PolarHBondContact NE2-ND1 2.87Å; N216-H242 PolarHBondContact OD1-CD2 3.25Å; N216-H242 VanDerWaalsContact OD1-CD2 3.23Å; N216-H242 PolarHBondContact OD1-NE2 3.46Å; H242-H244 PolarHBondContact O-CD2 3.18Å; H242-H244 VanDerWaalsContact O-CD2 3.23Å; H242-H244 PolarHBondContact O-N 3.28Å
243	E	94	Very high	96.4	Very high	19 Å²	19	40.9 Å²	40.9	9%	0.089	20%	0.204	C	C	.	.			trans	-78.7	109.1	-178.9	-67.1	-74.9	-178	0	0	110.6	R217 V218 G241 Q260 G262	R217-E243 HydrophobicContact CB-CG 3.82Å; R217-E243 PolarHBondContact N-OE1 2.77Å; V218-E243 PolarHBondContact N-OE1 2.97Å; G241-E243 PolarHBondContact O-N 3.24Å; E243-Q260 HydrophobicContact CB-CG 3.75Å; E243-G262 WeakPolarHBondContact O-CA 3.45Å
244	H	93.2	Very high	96.1	Very high	36 Å²	36	41.4 Å²	41.4	17%	0.167	21%	0.211	C	C	.	.			trans	-65.7	-28.1	-176.9	-63	-177.9	0	0	0	116.6	D21 H23 H242 C246 G262 S263 T267 E273	D21-H244 IonicContact OD1-CD2 3.4Å; H23-H244 AromaticContact NE2-CE1 3.88Å; H23-H244 AromaticContact NE2-NE2 3.38Å; H23-H244 PolarHBondContact NE2-NE2 3.1Å; H242-H244 PolarHBondContact O-CD2 3.18Å; H242-H244 VanDerWaalsContact O-CD2 3.23Å; H242-H244 PolarHBondContact O-N 3.28Å; H244-C246 PolarHBondContact O-N 2.83Å; H244-G262 WeakPolarHBondContact O-CA 3.38Å; H244-S263 PolarHBondContact O-N 3.02Å; H244-S263 VanDerWaalsContact O-N 3.17Å; H244-T267 PolarHBondContact CE1-OG1 3.23Å; H244-T267 PolarHBondContact ND1-OG1 2.99Å; H244-E273 HydrophobicContact CB-CG 3.71Å; H244-E273 IonicContact CE1-OE1 3.78Å; H244-E273 IonicContact CG-OE1 2.65Å; H244-E273 IonicContact ND1-OE1 3.42Å; H244-E273 PolarHBondContact ND1-OE1 3.47Å; H244-E273 IonicContact ND1-OE2 3.99Å
245	P	95.6	Very high	95.8	Very high	39 Å²	39	42.7 Å²	42.7	25%	0.253	22%	0.217	S	C	.	.	S	Bend	trans	-60.9	133	176.4	-23.5	34.2	0	0	0	112.2	L247 Q260 G272	P245-L247 PolarHBondContact O-N 2.86Å; P245-Q260 PolarHBondContact O-NE2 2.67Å; P245-G272 VanDerWaalsContact CA-O 3.27Å; P245-G272 WeakPolarHBondContact CA-O 3.46Å
246	C	96.9	Very high	95.8	Very high	31 Å²	31	42.9 Å²	42.9	21%	0.209	22%	0.217	C	C	.	.			trans	-85.9	92.5	-176	178.1	0	0	0	0	111.1	H244 P261	H244-C246 PolarHBondContact O-N 2.83Å; C246-P261 PolarHBondContact SG-O 3.12Å; C246-P261 VanDerWaalsContact SG-O 3.32Å
247	L	96.7	Very high	95.8	Very high	74 Å²	74	44.4 Å²	44.4	39%	0.387	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	66.5	170.4	-48.8	174.4	0	0	0	108.5	P245 Q260	P245-L247 PolarHBondContact O-N 2.86Å; L247-Q260 CarbonylContact C-O 3.47Å; L247-Q260 WeakPolarHBondContact CA-O 3.49Å; L247-Q260 HydrophobicContact CB-CB 4.19Å; L247-Q260 PolarHBondContact N-O 2.89Å; L247-Q260 CarbonylContact O-C 3.59Å; L247-Q260 PolarHBondContact O-N 3.41Å; L247-Q260 VanDerWaalsContact O-O 3.08Å
248	I	97.4	Very high	95.8	Very high	7 Å²	7	44.5 Å²	44.5	4%	0.036	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	-26.9	-168.3	-167.5	68.6	0	0	0	113.8	M259 P261 Y278 K293	I248-M259 HydrophobicContact CD1-CE 4.46Å; I248-M259 VanDerWaalsContact O-CE 3.3Å; I248-M259 WeakPolarHBondContact O-CE 3.46Å; I248-P261 VanDerWaalsContact CD1-CA 3.45Å; I248-P261 HydrophobicContact CD1-CB 3.39Å; I248-P261 HydrophobicContact CD1-CG 3.87Å; I248-Y278 HydrophobicContact CG2-CG 4.3Å; I248-K293 HydrophobicContact CG1-CB 4.23Å; I248-K293 HydrophobicContact CG2-CB 3.88Å; I248-K293 HydrophobicContact CG2-CD 3.83Å
249	D	98	Very high	95.8	Very high	79 Å²	79	44.5 Å²	44.5	42%	0.422	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	134.3	-177.6	-68.3	-49.2	0	0	0	109.2	E251 K293	D249-E251 PolarHBondContact O-N 3.09Å; D249-K293 WeakPolarHBondContact OD1-CD 3.44Å; D249-K293 IonicContact OD1-NZ 2.67Å; D249-K293 PolarHBondContact OD1-NZ 3.27Å; D249-K293 IonicContact OD2-NZ 3.82Å; D249-K293 PolarHBondContact OD2-NZ 3.09Å
250	P	97.8	Very high	95.8	Very high	43 Å²	43	44.8 Å²	44.8	28%	0.279	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	123.3	-178.7	-18.1	27.8	0	0	0	112.4	F257 I258 M259 F289 A291	P250-F257 HydrophobicContact CB-CB 4.23Å; P250-F257 HydrophobicContact CB-CD1 3.96Å; P250-F257 HydrophobicContact CB-CG 4.41Å; P250-I258 WeakPolarHBondContact CA-O 3.26Å; P250-M259 HydrophobicContact CB-CG 3.94Å; P250-M259 HydrophobicContact CB-SD 4.43Å; P250-M259 HydrophobicContact CG-CG 3.86Å; P250-M259 HydrophobicContact CG-SD 3.85Å; P250-F289 HydrophobicContact CB-CE2 4.18Å; P250-F289 HydrophobicContact CB-CZ 4.08Å; P250-F289 HydrophobicContact CG-CE2 3.88Å; P250-F289 HydrophobicContact CG-CZ 4.27Å; P250-A291 HydrophobicContact CG-CB 3.51Å
251	E	96.8	Very high	95.8	Very high	79 Å²	79	44.9 Å²	44.9	37%	0.369	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	131.8	175.6	-67.4	174.8	176.3	0	0	109.5	R217 D249 H253 F257 I258	R217-E251 IonicContact NH1-OE2 2.8Å; R217-E251 IonicContact NH2-OE2 3.96Å; D249-E251 PolarHBondContact O-N 3.09Å; E251-H253 PolarHBondContact O-CD2 3.24Å; E251-H253 IonicContact OE2-NE2 2.97Å; E251-F257 CarbonylContact O-C 3.47Å; E251-F257 VanDerWaalsContact O-CA 3.25Å; E251-F257 WeakPolarHBondContact O-CA 3.24Å; E251-I258 PolarHBondContact N-O 3.43Å; E251-I258 PolarHBondContact O-N 3.19Å
252	F	96.2	Very high	95.8	Very high	122 Å²	122	44.9 Å²	44.9	54%	0.535	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	121.4	178.6	-173.3	-105.1	0	0	0	110.8	D254 F257	F252-D254 WeakPolarHBondContact CE1-O 3.32Å; F252-D254 VanDerWaalsContact CZ-C 3.43Å; F252-D254 WeakPolarHBondContact CZ-O 3.38Å; F252-F257 HydrophobicContact CB-CD1 3.98Å; F252-F257 HydrophobicContact CB-CE1 3.73Å; F252-F257 HydrophobicContact CB-CZ 4.33Å; F252-F257 HydrophobicContact CD2-CD1 4.13Å; F252-F257 HydrophobicContact CD2-CD2 4.06Å; F252-F257 AromaticContact CD2-CE1 3.84Å; F252-F257 HydrophobicContact CD2-CE1 3.84Å; F252-F257 AromaticContact CD2-CE2 3.76Å; F252-F257 HydrophobicContact CD2-CE2 3.76Å; F252-F257 HydrophobicContact CD2-CG 4.24Å; F252-F257 AromaticContact CD2-CZ 3.65Å; F252-F257 HydrophobicContact CD2-CZ 3.65Å; F252-F257 HydrophobicContact CE2-CE2 4.25Å; F252-F257 HydrophobicContact CE2-CZ 4.43Å; F252-F257 HydrophobicContact CG-CE1 4.22Å; F252-F257 HydrophobicContact CG-CZ 4.35Å
253	H	90.7	Very high	95.8	Very high	47 Å²	47	43.4 Å²	43.4	22%	0.218	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	72.6	-178.4	-76.6	-100.1	0	0	0	110.7	R217 E228 E251 K255 F256 I258	R217-H253 PolarHBondContact NH2-CE1 3.44Å; R217-H253 PolarHBondContact NH2-NE2 2.83Å; E228-H253 VanDerWaalsContact CD-ND1 3.27Å; E228-H253 IonicContact OE1-CE1 3.32Å; E228-H253 PolarHBondContact OE1-CE1 2.83Å; E228-H253 VanDerWaalsContact OE1-CE1 3.27Å; E228-H253 IonicContact OE1-ND1 3.97Å; E228-H253 PolarHBondContact OE1-ND1 2.93Å; E228-H253 IonicContact OE1-NE2 3.75Å; E228-H253 IonicContact OE2-CE1 3.64Å; E228-H253 IonicContact OE2-CG 3.11Å; E228-H253 IonicContact OE2-ND1 3.82Å; E228-H253 PolarHBondContact OE2-ND1 3.47Å; E251-H253 PolarHBondContact O-CD2 3.24Å; E251-H253 IonicContact OE2-NE2 2.97Å; H253-K255 PolarHBondContact O-N 2.8Å; H253-F256 PolarHBondContact N-O 3.35Å; H253-I258 HydrophobicContact CB-CD1 3.95Å; H253-I258 HydrophobicContact CB-CG1 4.28Å
254	D	87	Confident	96	Very high	146 Å²	146	42.5 Å²	42.5	78%	0.781	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.1	-42	180	-64	-28.2	0	0	0	117.2	F252	F252-D254 WeakPolarHBondContact CE1-O 3.32Å; F252-D254 VanDerWaalsContact CZ-C 3.43Å; F252-D254 WeakPolarHBondContact CZ-O 3.38Å
255	K	90.3	Very high	96.2	Very high	102 Å²	102	41 Å²	41	44%	0.443	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-124.2	-32.8	-169	-54.8	-176.4	-171.1	174.8	0	112.8	E233 H253	E233-K255 HydrophobicContact CB-CD 4Å; E233-K255 HydrophobicContact CG-CD 3.64Å; E233-K255 WeakPolarHBondContact OE1-CE 3.49Å; E233-K255 IonicContact OE1-NZ 3.47Å; E233-K255 PolarHBondContact OE1-NZ 3.05Å; H253-K255 PolarHBondContact O-N 2.8Å
256	F	96.6	Very high	96.3	Very high	5 Å²	5	39.6 Å²	39.6	2%	0.022	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	166.7	-177.1	50.5	-102.7	0	0	0	111.3	L231 M235 V238 H253 I258	L231-F256 HydrophobicContact CB-CE1 4.05Å; L231-F256 HydrophobicContact CB-CZ 3.86Å; L231-F256 HydrophobicContact CD1-CE2 4.28Å; L231-F256 HydrophobicContact CD1-CZ 4.03Å; L231-F256 HydrophobicContact CG-CZ 4.45Å; M235-F256 HydrophobicContact CB-CB 4.28Å; M235-F256 HydrophobicContact CB-CD1 4.25Å; M235-F256 HydrophobicContact CB-CG 4.35Å; M235-F256 VanDerWaalsContact O-CB 3.26Å; M235-F256 WeakPolarHBondContact O-CB 3.5Å; V238-F256 HydrophobicContact CB-CD2 4.31Å; V238-F256 HydrophobicContact CB-CE2 4.36Å; V238-F256 HydrophobicContact CG2-CD2 3.52Å; V238-F256 HydrophobicContact CG2-CE2 3.6Å; V238-F256 HydrophobicContact CG2-CG 4.17Å; V238-F256 HydrophobicContact CG2-CZ 4.31Å; H253-F256 PolarHBondContact N-O 3.35Å; F256-I258 HydrophobicContact CD2-CG1 3.9Å; F256-I258 HydrophobicContact CE2-CD1 3.86Å; F256-I258 HydrophobicContact CE2-CG1 3.72Å
257	F	98	Very high	96.1	Very high	69 Å²	69	39.1 Å²	39.1	30%	0.303	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	145.4	173	-67.3	-90.1	0	0	0	111.1	D236 L237 V238 P250 E251 F252 F289	D236-F257 PolarHBondContact O-N 3.33Å; L237-F257 CarbonylContact C-O 3.47Å; L237-F257 WeakPolarHBondContact CA-O 3.41Å; L237-F257 HydrophobicContact CD1-CB 3.86Å; V238-F257 PolarHBondContact N-O 3.39Å; P250-F257 HydrophobicContact CB-CB 4.23Å; P250-F257 HydrophobicContact CB-CD1 3.96Å; P250-F257 HydrophobicContact CB-CG 4.41Å; E251-F257 CarbonylContact O-C 3.47Å; E251-F257 VanDerWaalsContact O-CA 3.25Å; E251-F257 WeakPolarHBondContact O-CA 3.24Å; F252-F257 HydrophobicContact CB-CD1 3.98Å; F252-F257 HydrophobicContact CB-CE1 3.73Å; F252-F257 HydrophobicContact CB-CZ 4.33Å; F252-F257 HydrophobicContact CD2-CD1 4.13Å; F252-F257 HydrophobicContact CD2-CD2 4.06Å; F252-F257 AromaticContact CD2-CE1 3.84Å; F252-F257 HydrophobicContact CD2-CE1 3.84Å; F252-F257 AromaticContact CD2-CE2 3.76Å; F252-F257 HydrophobicContact CD2-CE2 3.76Å; F252-F257 HydrophobicContact CD2-CG 4.24Å; F252-F257 AromaticContact CD2-CZ 3.65Å; F252-F257 HydrophobicContact CD2-CZ 3.65Å; F252-F257 HydrophobicContact CE2-CE2 4.25Å; F252-F257 HydrophobicContact CE2-CZ 4.43Å; F252-F257 HydrophobicContact CG-CE1 4.22Å; F252-F257 HydrophobicContact CG-CZ 4.35Å; F257-F289 HydrophobicContact CB-CE1 4.44Å; F257-F289 HydrophobicContact CB-CZ 3.96Å; F257-F289 HydrophobicContact CD1-CZ 4.2Å; F257-F289 AromaticContact CD2-CE1 3.52Å; F257-F289 HydrophobicContact CD2-CE1 3.52Å; F257-F289 AromaticContact CD2-CZ 3.8Å; F257-F289 HydrophobicContact CD2-CZ 3.8Å; F257-F289 AromaticContact CE2-CE1 3.84Å; F257-F289 HydrophobicContact CE2-CE1 3.84Å; F257-F289 HydrophobicContact CE2-CZ 4.34Å; F257-F289 AromaticContact CG-CE1 3.95Å; F257-F289 HydrophobicContact CG-CE1 3.95Å; F257-F289 AromaticContact CG-CZ 3.71Å; F257-F289 HydrophobicContact CG-CZ 3.71Å
258	I	98	Very high	96	Very high	2 Å²	2	37.9 Å²	37.9	1%	0.01	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	135	171.9	-56.5	-177.4	0	0	0	108.5	E228 V238 W240 P250 E251 H253 F256	E228-I258 HydrophobicContact CB-CD1 4.5Å; E228-I258 VanDerWaalsContact CD-CD1 3.49Å; E228-I258 HydrophobicContact CG-CD1 3.69Å; E228-I258 WeakPolarHBondContact OE1-CD1 3.5Å; V238-I258 HydrophobicContact CB-CG1 4.4Å; V238-I258 CarbonylContact O-C 3.58Å; V238-I258 WeakPolarHBondContact O-CA 3.48Å; W240-I258 HydrophobicContact CE3-CG2 4.2Å; W240-I258 HydrophobicContact CZ3-CD1 4.47Å; P250-I258 WeakPolarHBondContact CA-O 3.26Å; E251-I258 PolarHBondContact N-O 3.43Å; E251-I258 PolarHBondContact O-N 3.19Å; H253-I258 HydrophobicContact CB-CD1 3.95Å; H253-I258 HydrophobicContact CB-CG1 4.28Å; F256-I258 HydrophobicContact CD2-CG1 3.9Å; F256-I258 HydrophobicContact CE2-CD1 3.86Å; F256-I258 HydrophobicContact CE2-CG1 3.72Å
259	M	98.4	Very high	95.8	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	135.8	166.9	-71.2	170.5	67	0	0	108.6	I18 L237 V238 I239 W240 I248 P250 S280 V282 A291	I18-M259 HydrophobicContact CD1-CE 4.39Å; L237-M259 HydrophobicContact CD1-CB 4.42Å; L237-M259 HydrophobicContact CD1-CG 3.81Å; L237-M259 HydrophobicContact CD1-SD 3.7Å; L237-M259 HydrophobicContact CD2-SD 3.98Å; L237-M259 HydrophobicContact CG-SD 4.42Å; V238-M259 PolarHBondContact O-N 3.12Å; I239-M259 WeakPolarHBondContact CA-O 3.5Å; W240-M259 PolarHBondContact N-O 3.25Å; I248-M259 HydrophobicContact CD1-CE 4.46Å; I248-M259 VanDerWaalsContact O-CE 3.3Å; I248-M259 WeakPolarHBondContact O-CE 3.46Å; P250-M259 HydrophobicContact CB-CG 3.94Å; P250-M259 HydrophobicContact CB-SD 4.43Å; P250-M259 HydrophobicContact CG-CG 3.86Å; P250-M259 HydrophobicContact CG-SD 3.85Å; M259-S280 VanDerWaalsContact CE-OG 3.23Å; M259-S280 WeakPolarHBondContact CE-OG 3.34Å; M259-V282 HydrophobicContact CE-CG2 4.14Å; M259-V282 HydrophobicContact SD-CG2 4.2Å; M259-A291 HydrophobicContact CE-CB 4.25Å; M259-A291 HydrophobicContact SD-CB 4.3Å
260	Q	97.8	Very high	95.5	Very high	7 Å²	7	37.5 Å²	37.5	3%	0.033	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	86.1	174.3	-179.6	-172.6	-58.1	0	0	108.2	W240 E243 P245 L247 G262	W240-Q260 HydrophobicContact CB-CB 4.46Å; E243-Q260 HydrophobicContact CB-CG 3.75Å; P245-Q260 PolarHBondContact O-NE2 2.67Å; L247-Q260 CarbonylContact C-O 3.47Å; L247-Q260 WeakPolarHBondContact CA-O 3.49Å; L247-Q260 HydrophobicContact CB-CB 4.19Å; L247-Q260 PolarHBondContact N-O 2.89Å; L247-Q260 CarbonylContact O-C 3.59Å; L247-Q260 PolarHBondContact O-N 3.41Å; L247-Q260 VanDerWaalsContact O-O 3.08Å; Q260-G262 PolarHBondContact O-N 3.35Å
261	P	98	Very high	95.2	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.006	21%	0.207	C	C	.	.			trans	-61	-31.3	-174.5	-21.4	31.9	0	0	0	113.3	I18 T20 I239 C246 I248	I18-P261 HydrophobicContact CG2-CG 3.95Å; T20-P261 HydrophobicContact CG2-CB 3.85Å; T20-P261 HydrophobicContact CG2-CG 4.2Å; I239-P261 HydrophobicContact CG2-CG 4.12Å; C246-P261 PolarHBondContact SG-O 3.12Å; C246-P261 VanDerWaalsContact SG-O 3.32Å; I248-P261 VanDerWaalsContact CD1-CA 3.45Å; I248-P261 HydrophobicContact CD1-CB 3.39Å; I248-P261 HydrophobicContact CD1-CG 3.87Å
262	G	97.4	Very high	94.9	Very high	1 Å²	1	38.7 Å²	38.7	1%	0.01	21%	0.209	C	C	.	.			trans	69.4	-177.5	-178.4	0	0	0	0	0	114.5	T20 E243 H244 Q260	T20-G262 VanDerWaalsContact CG2-O 3.25Å; T20-G262 WeakPolarHBondContact CG2-O 3.43Å; E243-G262 WeakPolarHBondContact O-CA 3.45Å; H244-G262 WeakPolarHBondContact O-CA 3.38Å; Q260-G262 PolarHBondContact O-N 3.35Å
263	S	97.7	Very high	94.7	Very high	2 Å²	2	33.1 Å²	33.1	1%	0.014	18%	0.184	C	C	.	.	B	Isolated β-bridge	trans	-68.3	134.8	-174.7	68.8	0	0	0	0	111.5	D21 H244 I265 K277	D21-S263 WeakPolarHBondContact O-CA 3.38Å; H244-S263 PolarHBondContact O-N 3.02Å; H244-S263 VanDerWaalsContact O-N 3.17Å; S263-I265 VanDerWaalsContact CB-O 3.28Å; S263-I265 WeakPolarHBondContact CB-O 3.45Å; S263-I265 PolarHBondContact O-N 3.02Å; S263-I265 PolarHBondContact OG-O 3.21Å; S263-K277 VanDerWaalsContact O-CD 3.24Å; S263-K277 WeakPolarHBondContact O-CD 3.25Å; S263-K277 VanDerWaalsContact O-CE 3.28Å; S263-K277 WeakPolarHBondContact O-CE 3.36Å; S263-K277 PolarHBondContact OG-NZ 3.39Å
264	T	98.2	Very high	94.9	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.006	19%	0.187	C	C	.	.	S	Bend	trans	-74.6	-15.4	-179.3	59.8	0	0	0	0	113.4	A19 D21 I22 I44 I279 L296	A19-T264 HydrophobicContact CB-CG2 4.44Å; D21-T264 PolarHBondContact O-N 3.39Å; I22-T264 WeakPolarHBondContact CA-OG1 3.18Å; I22-T264 HydrophobicContact CD1-CG2 3.59Å; I44-T264 HydrophobicContact CD1-CG2 3.71Å; T264-I279 HydrophobicContact CG2-CG2 4.44Å; T264-L296 HydrophobicContact CG2-CD1 3.97Å
265	I	97.8	Very high	95.2	Very high	5 Å²	5	27.7 Å²	27.7	3%	0.026	17%	0.172	C	C	.	.	S	Bend	trans	-129.3	166.8	170.8	58	156.5	0	0	0	110.4	F26 D36 T40 S263 T267	F26-I265 HydrophobicContact CB-CD1 3.74Å; F26-I265 HydrophobicContact CD1-CD1 3.69Å; F26-I265 HydrophobicContact CG-CD1 3.91Å; D36-I265 HydrophobicContact CB-CG2 4.38Å; T40-I265 HydrophobicContact CG2-CG2 4.43Å; S263-I265 VanDerWaalsContact CB-O 3.28Å; S263-I265 WeakPolarHBondContact CB-O 3.45Å; S263-I265 PolarHBondContact O-N 3.02Å; S263-I265 PolarHBondContact OG-O 3.21Å; I265-T267 HydrophobicContact CD1-CG2 4.06Å; I265-T267 HydrophobicContact CG1-CG2 4.04Å
266	A	96.5	Very high	95.5	Very high	9 Å²	9	25 Å²	25	7%	0.074	17%	0.166	C	C	.	.			trans	-85.2	109.3	171.1	0	0	0	0	0	110.5	R33 E273 F302 L353	R33-A266 PolarHBondContact NH2-O 3.24Å; A266-E273 WeakPolarHBondContact CA-OE2 3.2Å; A266-F302 HydrophobicContact CB-CB 4.28Å; A266-F302 HydrophobicContact CB-CD1 3.93Å; A266-F302 HydrophobicContact CB-CG 4.39Å; A266-L353 HydrophobicContact CB-CD1 3.86Å
267	T	93.4	Very high	95.5	Very high	21 Å²	21	25.3 Å²	25.3	13%	0.129	17%	0.167	C	C	.	.			trans	-94.9	-22.6	178.1	61.7	0	0	0	0	112.4	H23 F26 H244 I265 E273	H23-T267 HydrophobicContact CB-CG2 3.98Å; H23-T267 VanDerWaalsContact CD2-CG2 3.42Å; H23-T267 WeakPolarHBondContact CD2-CG2 3.24Å; F26-T267 HydrophobicContact CD1-CG2 4.49Å; F26-T267 HydrophobicContact CD2-CG2 3.83Å; F26-T267 HydrophobicContact CE2-CG2 4.18Å; F26-T267 WeakPolarHBondContact CE2-O 3.46Å; F26-T267 HydrophobicContact CG-CG2 4Å; F26-T267 WeakPolarHBondContact CZ-O 3Å; H244-T267 PolarHBondContact CE1-OG1 3.23Å; H244-T267 PolarHBondContact ND1-OG1 2.99Å; I265-T267 HydrophobicContact CD1-CG2 4.06Å; I265-T267 HydrophobicContact CG1-CG2 4.04Å; T267-E273 PolarHBondContact N-OE2 3.29Å; T267-E273 PolarHBondContact OG1-OE1 3.29Å
268	S	93.7	Very high	95.5	Very high	47 Å²	47	24.8 Å²	24.8	33%	0.329	16%	0.164	S	C	.	.	S	Bend	trans	-125	160.1	170.5	86.2	0	0	0	0	112.5	A270 E273	S268-A270 PolarHBondContact O-N 3.33Å; S268-A270 WeakPolarHBondContact OG-CB 3.25Å; S268-E273 WeakPolarHBondContact CA-OE1 3.28Å; S268-E273 WeakPolarHBondContact CB-OE1 3.47Å; S268-E273 PolarHBondContact N-OE1 3.43Å; S268-E273 PolarHBondContact N-OE2 3.26Å; S268-E273 PolarHBondContact OG-OE1 3.04Å
269	L	92.8	Very high	95.5	Very high	38 Å²	38	24.7 Å²	24.7	20%	0.199	16%	0.163	C	C	.	.			trans	-92.7	51.9	175.3	-63.2	174.6	0	0	0	110.8	F302 L353 R355 N382 N385	L269-F302 HydrophobicContact CB-CZ 4.15Å; L269-F302 HydrophobicContact CD2-CD2 4.42Å; L269-F302 HydrophobicContact CD2-CE2 3.86Å; L269-F302 HydrophobicContact CD2-CZ 3.95Å; L269-L353 HydrophobicContact CD2-CB 4.41Å; L269-L353 HydrophobicContact CD2-CD2 4.31Å; L269-R355 HydrophobicContact CB-CG 4.31Å; L269-N382 HydrophobicContact CD1-CB 4.37Å; L269-N382 WeakPolarHBondContact CD1-ND2 3.5Å; L269-N385 HydrophobicContact CD1-CB 3.43Å; L269-N385 VanDerWaalsContact CD1-CB 3.43Å
270	A	91.9	Very high	95.6	Very high	41 Å²	41	24.7 Å²	24.7	34%	0.339	16%	0.164	S	C	.	.			trans	-105.3	153.1	-180	0	0	0	0	0	112.2	S268 G272 E273 F302	S268-A270 PolarHBondContact O-N 3.33Å; S268-A270 WeakPolarHBondContact OG-CB 3.25Å; A270-G272 VanDerWaalsContact C-N 3.33Å; A270-G272 PolarHBondContact O-N 2.89Å; A270-E273 PolarHBondContact O-N 2.85Å; A270-E273 VanDerWaalsContact O-N 3.08Å; A270-F302 WeakPolarHBondContact O-CE1 3.41Å
271	E	91.7	Very high	95.6	Very high	108 Å²	108	24.6 Å²	24.6	51%	0.505	16%	0.163	S	C	.	.	G	3₁₀ helix	trans	-55.6	-43.9	-178.6	-176.1	175.5	-179.4	0	0	113.3	E273 A274 F304 R357	E271-E273 PolarHBondContact O-N 3.46Å; E271-A274 VanDerWaalsContact O-CB 3.29Å; E271-A274 WeakPolarHBondContact O-CB 3.39Å; E271-A274 PolarHBondContact O-N 2.82Å; E271-A274 VanDerWaalsContact O-N 3.09Å; E271-F304 HydrophobicContact CB-CD1 3.75Å; E271-F304 HydrophobicContact CB-CD2 4.38Å; E271-F304 HydrophobicContact CB-CE1 3.77Å; E271-F304 HydrophobicContact CB-CE2 4.39Å; E271-F304 HydrophobicContact CB-CG 4.07Å; E271-F304 HydrophobicContact CB-CZ 4.1Å; E271-F304 HydrophobicContact CG-CD1 3.9Å; E271-F304 HydrophobicContact CG-CE1 4.15Å; E271-F304 HydrophobicContact CG-CG 4.49Å; E271-R357 IonicContact OE2-CZ 2.69Å; E271-R357 IonicContact OE2-NH1 3.25Å; E271-R357 IonicContact OE2-NH2 3.64Å; E271-R357 PolarHBondContact OE2-NH2 3.45Å
272	G	90.8	Very high	95.6	Very high	39 Å²	39	24.6 Å²	24.6	40%	0.402	16%	0.163	S	C	.	.	G	3₁₀ helix	trans	-66.1	-17.2	180	0	0	0	0	0	114.5	P245 A270	P245-G272 VanDerWaalsContact CA-O 3.27Å; P245-G272 WeakPolarHBondContact CA-O 3.46Å; A270-G272 VanDerWaalsContact C-N 3.33Å; A270-G272 PolarHBondContact O-N 2.89Å
273	E	93.1	Very high	95.7	Very high	5 Å²	5	27.3 Å²	27.3	2%	0.023	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-90.3	-9.3	175.9	-70.8	-161.7	-127.3	0	0	113.6	H244 A266 T267 S268 A270 E271 K277 F302	H244-E273 HydrophobicContact CB-CG 3.71Å; H244-E273 IonicContact CE1-OE1 3.78Å; H244-E273 IonicContact CG-OE1 2.65Å; H244-E273 IonicContact ND1-OE1 3.42Å; H244-E273 PolarHBondContact ND1-OE1 3.47Å; H244-E273 IonicContact ND1-OE2 3.99Å; A266-E273 WeakPolarHBondContact CA-OE2 3.2Å; T267-E273 PolarHBondContact N-OE2 3.29Å; T267-E273 PolarHBondContact OG1-OE1 3.29Å; S268-E273 WeakPolarHBondContact CA-OE1 3.28Å; S268-E273 WeakPolarHBondContact CB-OE1 3.47Å; S268-E273 PolarHBondContact N-OE1 3.43Å; S268-E273 PolarHBondContact N-OE2 3.26Å; S268-E273 PolarHBondContact OG-OE1 3.04Å; A270-E273 PolarHBondContact O-N 2.85Å; A270-E273 VanDerWaalsContact O-N 3.08Å; E271-E273 PolarHBondContact O-N 3.46Å; E273-K277 WeakPolarHBondContact O-CE 3.43Å; E273-K277 PolarHBondContact O-NZ 2.84Å; E273-F302 HydrophobicContact CB-CD1 4.14Å; E273-F302 HydrophobicContact CB-CE1 4.06Å
274	A	94.6	Very high	95.7	Very high	33 Å²	33	27.2 Å²	27.2	27%	0.273	17%	0.174	S	C	.	.			trans	-70.9	162.4	177.2	0	0	0	0	0	112.2	E271 F302 F304	E271-A274 VanDerWaalsContact O-CB 3.29Å; E271-A274 WeakPolarHBondContact O-CB 3.39Å; E271-A274 PolarHBondContact O-N 2.82Å; E271-A274 VanDerWaalsContact O-N 3.09Å; A274-F302 WeakPolarHBondContact CA-O 3.42Å; A274-F302 HydrophobicContact CB-CD1 4.12Å; A274-F302 HydrophobicContact CB-CE1 4.32Å; A274-F302 HydrophobicContact CB-CG 4.45Å; A274-F304 HydrophobicContact CB-CB 3.65Å
275	G	93	Very high	95.6	Very high	45 Å²	45	34.3 Å²	34.3	46%	0.464	20%	0.201	S	C	.	.	S	Bend	trans	87.5	-172.8	-177.1	0	0	0	0	0	113.7	F302	G275-F302 PolarHBondContact N-O 2.8Å; G275-F302 VanDerWaalsContact N-O 3.11Å
276	S	95.4	Very high	95.4	Very high	47 Å²	47	35.5 Å²	35.5	33%	0.329	21%	0.214	S	C	.	.			trans	-75.8	145.3	-177.5	-69.8	0	0	0	0	111.8	Y278 E295	S276-Y278 WeakPolarHBondContact CB-OH 3.42Å; S276-Y278 WeakPolarHBondContact O-CD2 3.46Å; S276-Y278 WeakPolarHBondContact O-CE2 3.36Å; S276-E295 WeakPolarHBondContact CB-OE1 3.11Å; S276-E295 PolarHBondContact OG-OE1 3.32Å
277	K	97.3	Very high	95.3	Very high	10 Å²	10	39.7 Å²	39.7	4%	0.043	23%	0.231	C	C	.	.			trans	-98.9	141.8	175.2	-55.7	-55.1	-157.1	176	0	110.1	S263 E273 L296 A299	S263-K277 VanDerWaalsContact O-CD 3.24Å; S263-K277 WeakPolarHBondContact O-CD 3.25Å; S263-K277 VanDerWaalsContact O-CE 3.28Å; S263-K277 WeakPolarHBondContact O-CE 3.36Å; S263-K277 PolarHBondContact OG-NZ 3.39Å; E273-K277 WeakPolarHBondContact O-CE 3.43Å; E273-K277 PolarHBondContact O-NZ 2.84Å; K277-L296 HydrophobicContact CB-CD1 4.08Å; K277-L296 PolarHBondContact O-N 3.19Å; K277-A299 HydrophobicContact CB-CB 4.08Å; K277-A299 HydrophobicContact CG-CB 4.15Å
278	Y	98.4	Very high	95.4	Very high	58 Å²	58	41.7 Å²	41.7	23%	0.227	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	153.6	-175.4	-62	-94.3	0	0	0	111.5	I248 S276 K293 I294 E295	I248-Y278 HydrophobicContact CG2-CG 4.3Å; S276-Y278 WeakPolarHBondContact CB-OH 3.42Å; S276-Y278 WeakPolarHBondContact O-CD2 3.46Å; S276-Y278 WeakPolarHBondContact O-CE2 3.36Å; Y278-K293 HydrophobicContact CD1-CB 4.21Å; Y278-K293 HydrophobicContact CD1-CD 4.21Å; Y278-K293 HydrophobicContact CD1-CG 4.31Å; Y278-K293 HydrophobicContact CE1-CD 4.35Å; Y278-I294 VanDerWaalsContact CA-O 3.27Å; Y278-I294 WeakPolarHBondContact CA-O 3.15Å; Y278-E295 VanDerWaalsContact CD1-CA 3.46Å; Y278-E295 HydrophobicContact CD1-CB 3.84Å; Y278-E295 HydrophobicContact CD1-CG 4.38Å; Y278-E295 HydrophobicContact CE1-CB 3.49Å; Y278-E295 VanDerWaalsContact CE1-CB 3.49Å; Y278-E295 HydrophobicContact CE1-CG 3.87Å
279	I	98.6	Very high	95.6	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	165.9	160.9	61.1	-179.1	0	0	0	108.9	L17 I18 A19 I44 I47 T264 K293 I294 L296	L17-I279 HydrophobicContact CD1-CD1 3.86Å; L17-I279 HydrophobicContact CD1-CG1 4.23Å; L17-I279 HydrophobicContact CD2-CD1 3.83Å; L17-I279 HydrophobicContact CG-CD1 4.05Å; I18-I279 WeakPolarHBondContact O-CB 3.25Å; A19-I279 HydrophobicContact CB-CG2 3.84Å; I44-I279 HydrophobicContact CD1-CG2 4.13Å; I44-I279 HydrophobicContact CG1-CD1 4.13Å; I44-I279 HydrophobicContact CG1-CG2 4.04Å; I44-I279 HydrophobicContact CG2-CD1 4.39Å; I47-I279 HydrophobicContact CB-CD1 4.44Å; I47-I279 HydrophobicContact CD1-CD1 3.93Å; I47-I279 HydrophobicContact CG2-CD1 4.19Å; T264-I279 HydrophobicContact CG2-CG2 4.44Å; I279-K293 WeakPolarHBondContact O-CA 3.41Å; I279-I294 HydrophobicContact CG1-CB 3.97Å; I279-I294 HydrophobicContact CG1-CG2 4.47Å; I279-I294 PolarHBondContact N-O 3.23Å; I279-I294 PolarHBondContact O-N 2.82Å; I279-L296 HydrophobicContact CD1-CD2 4.12Å; I279-L296 HydrophobicContact CG1-CD2 4.34Å; I279-L296 HydrophobicContact CG2-CD1 4.08Å; I279-L296 HydrophobicContact CG2-CD2 4.06Å; I279-L296 HydrophobicContact CG2-CG 4.26Å
280	S	98.6	Very high	95.9	Very high	1 Å²	1	45.8 Å²	45.8	1%	0.007	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	130.8	-179.4	-171.9	0	0	0	0	112.7	L17 I18 M259	L17-S280 CarbonylContact C-O 3.46Å; L17-S280 WeakPolarHBondContact CA-O 3.28Å; I18-S280 PolarHBondContact N-O 3.15Å; I18-S280 PolarHBondContact O-N 2.84Å; M259-S280 VanDerWaalsContact CE-OG 3.23Å; M259-S280 WeakPolarHBondContact CE-OG 3.34Å
281	L	98.7	Very high	96.2	Very high	5 Å²	5	45.2 Å²	45.2	3%	0.026	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	104.8	166.7	175.9	63.9	0	0	0	108.8	K15 L16 L17 V53 E292 I294	K15-L281 HydrophobicContact CB-CD1 4.4Å; L16-L281 CarbonylContact O-C 3.52Å; L16-L281 WeakPolarHBondContact O-CA 3.32Å; L17-L281 HydrophobicContact CD1-CB 4.25Å; V53-L281 HydrophobicContact CG1-CD1 3.51Å; L281-E292 HydrophobicContact CB-CB 4.3Å; L281-E292 PolarHBondContact N-O 2.86Å; L281-E292 PolarHBondContact O-N 3.09Å; L281-I294 HydrophobicContact CB-CD1 4.01Å
282	V	98.6	Very high	96.5	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	125.8	178.5	170.5	0	0	0	0	110.2	K15 L16 I18 L237 M259 I284 F289 Q290 A291	K15-V282 CarbonylContact C-O 3.54Å; K15-V282 WeakPolarHBondContact CA-O 3.44Å; L16-V282 PolarHBondContact N-O 2.88Å; L16-V282 PolarHBondContact O-N 3.41Å; I18-V282 HydrophobicContact CD1-CB 3.89Å; I18-V282 HydrophobicContact CD1-CG2 3.37Å; I18-V282 HydrophobicContact CG1-CG2 4.49Å; L237-V282 HydrophobicContact CD2-CG1 4.43Å; M259-V282 HydrophobicContact CE-CG2 4.14Å; M259-V282 HydrophobicContact SD-CG2 4.2Å; V282-I284 HydrophobicContact CG1-CD1 4.15Å; V282-I284 HydrophobicContact CG1-CG1 3.86Å; V282-F289 HydrophobicContact CG1-CD2 4.24Å; V282-Q290 CarbonylContact C-O 3.1Å; V282-Q290 WeakPolarHBondContact CA-O 3.24Å; V282-A291 HydrophobicContact CG2-CB 4.02Å
283	K	98.2	Very high	96.8	Very high	58 Å²	58	46 Å²	46	25%	0.252	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	119.4	178.8	-59	172.6	-168.5	147.6	0	108.3	I14 K15 F289 Q290 E292	I14-K283 CarbonylContact O-C 3.56Å; I14-K283 WeakPolarHBondContact O-CA 3.31Å; K15-K283 HydrophobicContact CG-CG 4.33Å; K283-F289 CarbonylContact O-C 3.57Å; K283-F289 WeakPolarHBondContact O-CA 3.38Å; K283-Q290 PolarHBondContact N-O 2.67Å; K283-Q290 PolarHBondContact O-N 3.26Å; K283-E292 IonicContact NZ-OE2 3.48Å; K283-E292 PolarHBondContact NZ-OE2 2.94Å
284	I	98.2	Very high	97.1	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	135.7	-176.2	-57.9	157.6	0	0	0	108.8	S13 I14 L16 T174 L176 F208 I210 V282 A288 F289	S13-I284 CarbonylContact C-O 3.58Å; S13-I284 WeakPolarHBondContact CA-O 3.29Å; S13-I284 WeakPolarHBondContact CB-O 3.35Å; I14-I284 HydrophobicContact CB-CB 4.47Å; I14-I284 PolarHBondContact N-O 3.37Å; I14-I284 PolarHBondContact O-N 3.01Å; L16-I284 HydrophobicContact CD1-CD1 3.76Å; T174-I284 HydrophobicContact CG2-CG2 3.99Å; L176-I284 HydrophobicContact CD1-CD1 4.21Å; L176-I284 HydrophobicContact CD2-CD1 4.36Å; F208-I284 HydrophobicContact CB-CG2 3.73Å; F208-I284 HydrophobicContact CD1-CD1 3.96Å; F208-I284 HydrophobicContact CD1-CG1 4.19Å; F208-I284 HydrophobicContact CD1-CG2 3.97Å; F208-I284 HydrophobicContact CD2-CG2 4.2Å; F208-I284 HydrophobicContact CE1-CD1 4.22Å; F208-I284 HydrophobicContact CE1-CG1 4.28Å; F208-I284 HydrophobicContact CG-CG2 3.7Å; I210-I284 HydrophobicContact CD1-CD1 3.71Å; V282-I284 HydrophobicContact CG1-CD1 4.15Å; V282-I284 HydrophobicContact CG1-CG1 3.86Å; I284-A288 WeakPolarHBondContact CA-O 3.41Å; I284-F289 HydrophobicContact CG1-CB 4.05Å
285	R	96.4	Very high	97.2	Very high	151 Å²	151	47.4 Å²	47.4	57%	0.57	25%	0.25	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-143.3	114.3	173.8	-169.5	-179	-176.2	-159.4	-2	109.8	E12 K287 A288	E12-R285 IonicContact OE2-CZ 3.57Å; E12-R285 IonicContact OE2-NE 3.53Å; E12-R285 IonicContact OE2-NH2 2.6Å; E12-R285 PolarHBondContact OE2-NH2 3.2Å; R285-K287 PolarHBondContact O-N 3.37Å; R285-A288 PolarHBondContact N-O 2.96Å; R285-A288 PolarHBondContact O-N 3.32Å; R285-A288 VanDerWaalsContact O-N 3.09Å
286	G	94.2	Very high	97.5	Very high	30 Å²	30	45.2 Å²	45.2	31%	0.309	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.3	-126.1	-167.3	0	0	0	0	0	110	T174	T174-G286 PolarHBondContact OG1-N 3.38Å; T174-G286 VanDerWaalsContact OG1-N 3.1Å
287	K	94	Very high	97.5	Very high	96 Å²	96	44.9 Å²	44.9	42%	0.417	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.6	-0.7	177.3	-74.1	-69.6	-163.7	165.2	0	115.2	D205 C207 F208 D236 R285	D205-K287 WeakPolarHBondContact O-CE 3.42Å; D205-K287 PolarHBondContact O-NZ 2.95Å; C207-K287 VanDerWaalsContact O-CE 3.24Å; C207-K287 WeakPolarHBondContact O-CE 3.27Å; C207-K287 PolarHBondContact O-NZ 3.42Å; F208-K287 WeakPolarHBondContact CD2-O 3.45Å; F208-K287 WeakPolarHBondContact CE2-O 3.3Å; D236-K287 IonicContact OD2-NZ 3.91Å; D236-K287 PolarHBondContact OD2-NZ 3Å; R285-K287 PolarHBondContact O-N 3.37Å
288	A	95.8	Very high	97.5	Very high	64 Å²	64	45 Å²	45	53%	0.529	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	147	179	0	0	0	0	0	111	I284 R285	I284-A288 WeakPolarHBondContact CA-O 3.41Å; R285-A288 PolarHBondContact N-O 2.96Å; R285-A288 PolarHBondContact O-N 3.32Å; R285-A288 VanDerWaalsContact O-N 3.09Å
289	F	97.8	Very high	97.4	Very high	47 Å²	47	42.6 Å²	42.6	21%	0.206	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	159.3	172.1	81.9	-74.8	0	0	0	112.2	F208 L237 P250 F257 V282 K283 I284 A291	F208-F289 HydrophobicContact CE1-CB 4.41Å; F208-F289 HydrophobicContact CE2-CB 4Å; F208-F289 AromaticContact CE2-CD1 3.7Å; F208-F289 HydrophobicContact CE2-CD1 3.7Å; F208-F289 HydrophobicContact CE2-CG 4.17Å; F208-F289 HydrophobicContact CZ-CB 3.74Å; F208-F289 AromaticContact CZ-CD1 3.45Å; F208-F289 HydrophobicContact CZ-CD1 3.45Å; F208-F289 VanDerWaalsContact CZ-CD1 3.45Å; F208-F289 HydrophobicContact CZ-CE1 4.2Å; F208-F289 AromaticContact CZ-CG 3.68Å; F208-F289 HydrophobicContact CZ-CG 3.68Å; L237-F289 HydrophobicContact CD1-CE2 4.43Å; L237-F289 HydrophobicContact CD1-CZ 4.46Å; L237-F289 HydrophobicContact CD2-CD2 4.47Å; L237-F289 HydrophobicContact CD2-CE2 4.37Å; P250-F289 HydrophobicContact CB-CE2 4.18Å; P250-F289 HydrophobicContact CB-CZ 4.08Å; P250-F289 HydrophobicContact CG-CE2 3.88Å; P250-F289 HydrophobicContact CG-CZ 4.27Å; F257-F289 HydrophobicContact CB-CE1 4.44Å; F257-F289 HydrophobicContact CB-CZ 3.96Å; F257-F289 HydrophobicContact CD1-CZ 4.2Å; F257-F289 AromaticContact CD2-CE1 3.52Å; F257-F289 HydrophobicContact CD2-CE1 3.52Å; F257-F289 AromaticContact CD2-CZ 3.8Å; F257-F289 HydrophobicContact CD2-CZ 3.8Å; F257-F289 AromaticContact CE2-CE1 3.84Å; F257-F289 HydrophobicContact CE2-CE1 3.84Å; F257-F289 HydrophobicContact CE2-CZ 4.34Å; F257-F289 AromaticContact CG-CE1 3.95Å; F257-F289 HydrophobicContact CG-CE1 3.95Å; F257-F289 AromaticContact CG-CZ 3.71Å; F257-F289 HydrophobicContact CG-CZ 3.71Å; V282-F289 HydrophobicContact CG1-CD2 4.24Å; K283-F289 CarbonylContact O-C 3.57Å; K283-F289 WeakPolarHBondContact O-CA 3.38Å; I284-F289 HydrophobicContact CG1-CB 4.05Å; F289-A291 HydrophobicContact CE2-CB 4.42Å
290	Q	97.9	Very high	97.3	Very high	123 Å²	123	43.7 Å²	43.7	58%	0.575	22%	0.219	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-133.4	130.5	169.5	-177.2	-176.4	16.5	0	0	108.6	V282 K283	V282-Q290 CarbonylContact C-O 3.1Å; V282-Q290 WeakPolarHBondContact CA-O 3.24Å; K283-Q290 PolarHBondContact N-O 2.67Å; K283-Q290 PolarHBondContact O-N 3.26Å
291	A	98.3	Very high	97.3	Very high	30 Å²	30	44.5 Å²	44.5	25%	0.248	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	129.8	172.2	0	0	0	0	0	110.1	P250 M259 V282 F289	P250-A291 HydrophobicContact CG-CB 3.51Å; M259-A291 HydrophobicContact CE-CB 4.25Å; M259-A291 HydrophobicContact SD-CB 4.3Å; V282-A291 HydrophobicContact CG2-CB 4.02Å; F289-A291 HydrophobicContact CE2-CB 4.42Å
292	E	98.4	Very high	97.2	Very high	63 Å²	63	44.5 Å²	44.5	29%	0.294	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	111.5	174.5	179.5	-169.2	161	0	0	108.4	R51 L281 K283	R51-E292 IonicContact CZ-OE1 3.68Å; R51-E292 IonicContact NH2-OE1 2.87Å; R51-E292 PolarHBondContact NH2-OE1 3.01Å; R51-E292 IonicContact NH2-OE2 3.56Å; L281-E292 HydrophobicContact CB-CB 4.3Å; L281-E292 PolarHBondContact N-O 2.86Å; L281-E292 PolarHBondContact O-N 3.09Å; K283-E292 IonicContact NZ-OE2 3.48Å; K283-E292 PolarHBondContact NZ-OE2 2.94Å
293	K	98.2	Very high	97.1	Very high	100 Å²	100	46.6 Å²	46.6	44%	0.435	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	140	175.5	66.1	179.3	168.5	-161.8	0	111.8	I248 D249 Y278 I279	I248-K293 HydrophobicContact CG1-CB 4.23Å; I248-K293 HydrophobicContact CG2-CB 3.88Å; I248-K293 HydrophobicContact CG2-CD 3.83Å; D249-K293 WeakPolarHBondContact OD1-CD 3.44Å; D249-K293 IonicContact OD1-NZ 2.67Å; D249-K293 PolarHBondContact OD1-NZ 3.27Å; D249-K293 IonicContact OD2-NZ 3.82Å; D249-K293 PolarHBondContact OD2-NZ 3.09Å; Y278-K293 HydrophobicContact CD1-CB 4.21Å; Y278-K293 HydrophobicContact CD1-CD 4.21Å; Y278-K293 HydrophobicContact CD1-CG 4.31Å; Y278-K293 HydrophobicContact CE1-CD 4.35Å; I279-K293 WeakPolarHBondContact O-CA 3.41Å
294	I	98.3	Very high	97.1	Very high	21 Å²	21	45.3 Å²	45.3	11%	0.108	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	120.2	-179.7	-58.3	172.6	0	0	0	107.8	L17 I47 Y278 I279 L281	L17-I294 HydrophobicContact CD1-CD1 4.3Å; I47-I294 HydrophobicContact CD1-CG2 4.11Å; I47-I294 HydrophobicContact CG2-CD1 3.99Å; Y278-I294 VanDerWaalsContact CA-O 3.27Å; Y278-I294 WeakPolarHBondContact CA-O 3.15Å; I279-I294 HydrophobicContact CG1-CB 3.97Å; I279-I294 HydrophobicContact CG1-CG2 4.47Å; I279-I294 PolarHBondContact N-O 3.23Å; I279-I294 PolarHBondContact O-N 2.82Å; L281-I294 HydrophobicContact CB-CD1 4.01Å
295	E	97.4	Very high	97	Very high	46 Å²	46	46.5 Å²	46.5	22%	0.215	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	127.9	178.5	-169.9	177.1	171.7	0	0	111	S276 Y278 Q297 R348	S276-E295 WeakPolarHBondContact CB-OE1 3.11Å; S276-E295 PolarHBondContact OG-OE1 3.32Å; Y278-E295 VanDerWaalsContact CD1-CA 3.46Å; Y278-E295 HydrophobicContact CD1-CB 3.84Å; Y278-E295 HydrophobicContact CD1-CG 4.38Å; Y278-E295 HydrophobicContact CE1-CB 3.49Å; Y278-E295 VanDerWaalsContact CE1-CB 3.49Å; Y278-E295 HydrophobicContact CE1-CG 3.87Å; E295-Q297 PolarHBondContact O-NE2 3.26Å; E295-Q297 VanDerWaalsContact O-NE2 3.08Å; E295-R348 IonicContact OE1-CZ 3.86Å; E295-R348 IonicContact OE1-NH1 3.95Å; E295-R348 IonicContact OE1-NH2 2.93Å; E295-R348 PolarHBondContact OE1-NH2 2.89Å
296	L	97.9	Very high	96.9	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.217	C	C	.	.			trans	-73.2	125.1	174.9	-66.2	169.2	0	0	0	110.4	T40 E43 I44 T264 K277 I279 A299 R348	T40-L296 HydrophobicContact CG2-CB 4.45Å; T40-L296 HydrophobicContact CG2-CD1 3.69Å; T40-L296 HydrophobicContact CG2-CD2 4.28Å; T40-L296 HydrophobicContact CG2-CG 4.37Å; E43-L296 HydrophobicContact CG-CD2 4.3Å; E43-L296 WeakPolarHBondContact OE2-CA 3.4Å; I44-L296 HydrophobicContact CD1-CD2 4.32Å; I44-L296 HydrophobicContact CG1-CD2 3.68Å; T264-L296 HydrophobicContact CG2-CD1 3.97Å; K277-L296 HydrophobicContact CB-CD1 4.08Å; K277-L296 PolarHBondContact O-N 3.19Å; I279-L296 HydrophobicContact CD1-CD2 4.12Å; I279-L296 HydrophobicContact CG1-CD2 4.34Å; I279-L296 HydrophobicContact CG2-CD1 4.08Å; I279-L296 HydrophobicContact CG2-CD2 4.06Å; I279-L296 HydrophobicContact CG2-CG 4.26Å; L296-A299 HydrophobicContact CB-CB 3.97Å; L296-R348 PolarHBondContact O-NH2 2.97Å
297	Q	96.5	Very high	96.9	Very high	40 Å²	40	41.3 Å²	41.3	19%	0.187	21%	0.209	C	C	.	.	S	Bend	trans	-88.8	-26.7	-176.2	-59.4	-56.5	-54.1	0	0	112.3	E43 E295 L347 R348	E43-Q297 VanDerWaalsContact CD-N 3.26Å; E43-Q297 VanDerWaalsContact OE1-CB 3.24Å; E43-Q297 WeakPolarHBondContact OE1-CB 3.33Å; E43-Q297 PolarHBondContact OE1-N 3.28Å; E43-Q297 PolarHBondContact OE2-N 2.97Å; E295-Q297 PolarHBondContact O-NE2 3.26Å; E295-Q297 VanDerWaalsContact O-NE2 3.08Å; Q297-L347 HydrophobicContact CB-CB 4.46Å; Q297-R348 WeakPolarHBondContact O-CA 3.49Å; Q297-R348 WeakPolarHBondContact O-CB 3.47Å; Q297-R348 PolarHBondContact O-N 2.83Å
298	T	97.2	Very high	96.9	Very high	13 Å²	13	37.8 Å²	37.8	8%	0.08	20%	0.196	C	C	.	.	S	Bend	trans	-86.8	-11.5	177.4	61	0	0	0	0	113.3	T40 E43 R300 L347 P349	T40-T298 WeakPolarHBondContact CA-OG1 3.4Å; T40-T298 WeakPolarHBondContact CB-OG1 3.48Å; T40-T298 PolarHBondContact N-OG1 2.95Å; T40-T298 PolarHBondContact OG1-OG1 2.85Å; T40-T298 VanDerWaalsContact OG1-OG1 3.06Å; E43-T298 HydrophobicContact CB-CG2 4.05Å; E43-T298 PolarHBondContact OE2-N 3.29Å; E43-T298 PolarHBondContact OE2-OG1 2.78Å; T298-R300 PolarHBondContact O-N 2.84Å; T298-L347 HydrophobicContact CG2-CB 4.07Å; T298-P349 WeakPolarHBondContact O-CD 3.49Å
299	A	97	Very high	96.6	Very high	6 Å²	6	34.7 Å²	34.7	5%	0.05	17%	0.171	C	C	.	.	S	Bend	trans	-64.8	126.4	176.8	0	0	0	0	0	110.6	K277 L296 Q301	K277-A299 HydrophobicContact CB-CB 4.08Å; K277-A299 HydrophobicContact CG-CB 4.15Å; L296-A299 HydrophobicContact CB-CB 3.97Å; A299-Q301 PolarHBondContact O-N 3.35Å
300	R	96.8	Very high	96.1	Very high	23 Å²	23	35.1 Å²	35.1	9%	0.087	17%	0.173	C	C	.	.	P	Polyproline II helix	trans	-65.2	131.1	178	-173.5	178.3	-58.4	-89	-3.7	110.6	V32 D36 T298 F302 P349 L351 L353	V32-R300 PolarHBondContact O-NH2 3Å; D36-R300 IonicContact OD1-CZ 2.8Å; D36-R300 IonicContact OD1-NE 3.77Å; D36-R300 PolarHBondContact OD1-NE 3.36Å; D36-R300 IonicContact OD1-NH2 2.72Å; D36-R300 PolarHBondContact OD1-NH2 2.92Å; D36-R300 IonicContact OD2-CZ 3.95Å; D36-R300 IonicContact OD2-NE 2.89Å; D36-R300 PolarHBondContact OD2-NE 3.43Å; D36-R300 IonicContact OD2-NH2 3.96Å; D36-R300 PolarHBondContact OD2-NH2 3.23Å; T298-R300 PolarHBondContact O-N 2.84Å; R300-F302 PolarHBondContact O-N 3.02Å; R300-P349 HydrophobicContact CB-CB 4.43Å; R300-P349 HydrophobicContact CB-CG 4.14Å; R300-P349 HydrophobicContact CG-CB 4.33Å; R300-L351 VanDerWaalsContact CD-O 3.3Å; R300-L351 WeakPolarHBondContact CD-O 3.42Å; R300-L351 WeakPolarHBondContact CG-O 3.27Å; R300-L351 PolarHBondContact NH1-O 3.21Å; R300-L353 HydrophobicContact CG-CG 4.36Å
301	Q	96.8	Very high	95.6	Very high	18 Å²	18	37.1 Å²	37.1	8%	0.084	18%	0.182	C	C	.	.	P	Polyproline II helix	trans	-61.6	137.6	176.8	-72	160	-69.4	0	0	111.1	A299 Y303 A339 R348 P352 L353	A299-Q301 PolarHBondContact O-N 3.35Å; Q301-Y303 HydrophobicContact CB-CD2 4.47Å; Q301-Y303 HydrophobicContact CB-CE2 3.8Å; Q301-Y303 HydrophobicContact CG-CE2 4.49Å; Q301-Y303 PolarHBondContact NE2-OH 2.91Å; Q301-Y303 VanDerWaalsContact NE2-OH 3.15Å; Q301-A339 PolarHBondContact NE2-O 3.47Å; Q301-A339 VanDerWaalsContact NE2-O 3.12Å; Q301-A339 PolarHBondContact OE1-O 3.37Å; Q301-R348 HydrophobicContact CG-CG 4.47Å; Q301-P352 HydrophobicContact CB-CB 4.26Å; Q301-L353 PolarHBondContact O-N 2.81Å
302	F	97.3	Very high	95	Very high	6 Å²	6	38.6 Å²	38.6	3%	0.026	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	118.1	174.2	177.6	-151.8	0	0	0	110.9	A266 L269 A270 E273 A274 G275 R300 F304 L353 R355	A266-F302 HydrophobicContact CB-CB 4.28Å; A266-F302 HydrophobicContact CB-CD1 3.93Å; A266-F302 HydrophobicContact CB-CG 4.39Å; L269-F302 HydrophobicContact CB-CZ 4.15Å; L269-F302 HydrophobicContact CD2-CD2 4.42Å; L269-F302 HydrophobicContact CD2-CE2 3.86Å; L269-F302 HydrophobicContact CD2-CZ 3.95Å; A270-F302 WeakPolarHBondContact O-CE1 3.41Å; E273-F302 HydrophobicContact CB-CD1 4.14Å; E273-F302 HydrophobicContact CB-CE1 4.06Å; A274-F302 WeakPolarHBondContact CA-O 3.42Å; A274-F302 HydrophobicContact CB-CD1 4.12Å; A274-F302 HydrophobicContact CB-CE1 4.32Å; A274-F302 HydrophobicContact CB-CG 4.45Å; G275-F302 PolarHBondContact N-O 2.8Å; G275-F302 VanDerWaalsContact N-O 3.11Å; R300-F302 PolarHBondContact O-N 3.02Å; F302-F304 HydrophobicContact CE2-CB 4.36Å; F302-F304 HydrophobicContact CZ-CB 4.18Å; F302-F304 AromaticContact CZ-CD2 3.96Å; F302-F304 HydrophobicContact CZ-CD2 3.96Å; F302-L353 WeakPolarHBondContact CA-O 3.4Å; F302-L353 HydrophobicContact CB-CB 3.98Å; F302-L353 HydrophobicContact CB-CD1 4.33Å; F302-L353 HydrophobicContact CD2-CB 3.54Å; F302-L353 HydrophobicContact CE2-CB 4.39Å; F302-L353 HydrophobicContact CG-CB 4Å; F302-L353 HydrophobicContact CG-CD1 4.5Å; F302-R355 HydrophobicContact CE2-CB 3.74Å; F302-R355 HydrophobicContact CZ-CB 4.1Å
303	Y	97.3	Very high	94.5	Very high	43 Å²	43	38.1 Å²	38.1	17%	0.169	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	120.6	175.3	-62.5	-90.2	0	0	0	110.1	Q301 L335 A339 D342 P352 L353 V354 R355	Q301-Y303 HydrophobicContact CB-CD2 4.47Å; Q301-Y303 HydrophobicContact CB-CE2 3.8Å; Q301-Y303 HydrophobicContact CG-CE2 4.49Å; Q301-Y303 PolarHBondContact NE2-OH 2.91Å; Q301-Y303 VanDerWaalsContact NE2-OH 3.15Å; Y303-L335 HydrophobicContact CD1-CD2 4.05Å; Y303-L335 HydrophobicContact CG-CD2 4.26Å; Y303-A339 HydrophobicContact CD2-CB 4.48Å; Y303-A339 HydrophobicContact CE2-CB 3.58Å; Y303-A339 WeakPolarHBondContact OH-CA 3.3Å; Y303-A339 PolarHBondContact OH-N 3.42Å; Y303-D342 PolarHBondContact OH-OD2 2.93Å; Y303-P352 HydrophobicContact CD2-CB 4.32Å; Y303-P352 HydrophobicContact CE2-CB 4.35Å; Y303-L353 PolarHBondContact N-O 2.79Å; Y303-V354 CarbonylContact O-C 3.59Å; Y303-V354 WeakPolarHBondContact O-CA 3.13Å; Y303-R355 PolarHBondContact O-N 3.44Å
304	F	96.8	Very high	93.7	Very high	31 Å²	31	37.9 Å²	37.9	14%	0.136	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	126.3	171.9	-170.4	-78.8	0	0	0	108.8	E271 A274 F302 D306 R355 R357	E271-F304 HydrophobicContact CB-CD1 3.75Å; E271-F304 HydrophobicContact CB-CD2 4.38Å; E271-F304 HydrophobicContact CB-CE1 3.77Å; E271-F304 HydrophobicContact CB-CE2 4.39Å; E271-F304 HydrophobicContact CB-CG 4.07Å; E271-F304 HydrophobicContact CB-CZ 4.1Å; E271-F304 HydrophobicContact CG-CD1 3.9Å; E271-F304 HydrophobicContact CG-CE1 4.15Å; E271-F304 HydrophobicContact CG-CG 4.49Å; A274-F304 HydrophobicContact CB-CB 3.65Å; F302-F304 HydrophobicContact CE2-CB 4.36Å; F302-F304 HydrophobicContact CZ-CB 4.18Å; F302-F304 AromaticContact CZ-CD2 3.96Å; F302-F304 HydrophobicContact CZ-CD2 3.96Å; F304-D306 WeakPolarHBondContact CE1-OD1 3.3Å; F304-R355 WeakPolarHBondContact CA-O 3.17Å; F304-R355 HydrophobicContact CD2-CB 3.8Å; F304-R355 HydrophobicContact CD2-CG 3.75Å; F304-R355 HydrophobicContact CE2-CB 4.26Å; F304-R355 HydrophobicContact CE2-CG 3.67Å; F304-R357 HydrophobicContact CE1-CB 4.08Å; F304-R357 HydrophobicContact CZ-CB 3.71Å; F304-R357 HydrophobicContact CZ-CG 4.4Å
305	V	97.1	Very high	92.8	Very high	26 Å²	26	43.4 Å²	43.4	16%	0.158	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	127.7	178.4	177.2	0	0	0	0	109.9	L307 L335 R355 L356 R357	V305-L307 HydrophobicContact CG1-CD2 3.85Å; V305-L307 HydrophobicContact CG1-CG 4.09Å; V305-L335 HydrophobicContact CG2-CD1 3.73Å; V305-L335 HydrophobicContact CG2-CD2 4.02Å; V305-L335 HydrophobicContact CG2-CG 4.47Å; V305-R355 PolarHBondContact N-O 2.96Å; V305-L356 HydrophobicContact CB-CD2 3.69Å; V305-L356 HydrophobicContact CG1-CD2 4.27Å; V305-L356 HydrophobicContact CG2-CD2 4.37Å; V305-L356 CarbonylContact O-C 3.6Å; V305-L356 WeakPolarHBondContact O-CA 3.42Å; V305-R357 PolarHBondContact O-N 3.06Å
306	D	94.8	Very high	91.7	Very high	44 Å²	44	45.6 Å²	45.6	24%	0.235	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	134.1	168.4	-89	-17.4	0	0	0	111.6	F304 R357 R359	F304-D306 WeakPolarHBondContact CE1-OD1 3.3Å; D306-R357 WeakPolarHBondContact CA-O 3.23Å; D306-R357 VanDerWaalsContact CG-NH2 3.27Å; D306-R357 VanDerWaalsContact OD1-CB 3.29Å; D306-R357 WeakPolarHBondContact OD1-CB 3.42Å; D306-R357 IonicContact OD1-CZ 3.31Å; D306-R357 VanDerWaalsContact OD1-CZ 3.25Å; D306-R357 IonicContact OD1-NE 3.06Å; D306-R357 PolarHBondContact OD1-NE 3.27Å; D306-R357 IonicContact OD1-NH2 2.7Å; D306-R357 PolarHBondContact OD1-NH2 2.69Å; D306-R357 VanDerWaalsContact OD1-NH2 3.1Å; D306-R357 IonicContact OD2-CZ 3.74Å; D306-R357 IonicContact OD2-NE 3.99Å; D306-R357 IonicContact OD2-NH2 3.59Å; D306-R357 PolarHBondContact OD2-NH2 2.78Å; D306-R359 IonicContact OD1-NH1 3.66Å; D306-R359 IonicContact OD2-CZ 3.49Å; D306-R359 IonicContact OD2-NH1 3.93Å; D306-R359 PolarHBondContact OD2-NH1 2.89Å; D306-R359 IonicContact OD2-NH2 3.47Å; D306-R359 PolarHBondContact OD2-NH2 3.44Å
307	L	93.9	Very high	90.9	Very high	28 Å²	28	47.5 Å²	47.5	15%	0.147	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	144.4	174.6	-60	175.9	0	0	0	109.6	V305 I312 L356 R357 I358 R359	V305-L307 HydrophobicContact CG1-CD2 3.85Å; V305-L307 HydrophobicContact CG1-CG 4.09Å; L307-I312 HydrophobicContact CB-CD1 4.13Å; L307-I312 HydrophobicContact CD1-CD1 4.33Å; L307-I312 HydrophobicContact CD2-CD1 4.38Å; L307-L356 HydrophobicContact CD1-CD1 4.2Å; L307-R357 PolarHBondContact N-O 2.94Å; L307-I358 CarbonylContact O-C 3.58Å; L307-I358 WeakPolarHBondContact O-CA 3.3Å; L307-R359 PolarHBondContact O-N 3.25Å
308	S	93.1	Very high	90	Very high	21 Å²	21	51 Å²	51	15%	0.147	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	121.3	166.7	173.7	0	0	0	0	108.4	E310 E311 I312	S308-E310 VanDerWaalsContact C-N 3.29Å; S308-E310 PolarHBondContact O-N 2.89Å; S308-E311 WeakPolarHBondContact CB-OE2 3.16Å; S308-E311 PolarHBondContact O-N 3.45Å; S308-E311 WeakPolarHBondContact OG-CG 3.4Å; S308-E311 PolarHBondContact OG-N 3.48Å; S308-I312 WeakPolarHBondContact O-CG1 3.32Å; S308-I312 PolarHBondContact O-N 3.43Å
309	A	90.4	Very high	89.4	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-66.1	-36.4	-176.6	0	0	0	0	0	111.4	I312 F313 I358 R359 C360 Y364	A309-I312 PolarHBondContact O-N 2.88Å; A309-F313 PolarHBondContact O-N 2.86Å; A309-I358 HydrophobicContact CB-CG2 3.86Å; A309-R359 PolarHBondContact N-O 3.23Å; A309-C360 HydrophobicContact CB-CB 3.8Å; A309-Y364 HydrophobicContact CB-CD1 3.89Å; A309-Y364 HydrophobicContact CB-CD2 4.22Å; A309-Y364 HydrophobicContact CB-CE1 3.54Å; A309-Y364 HydrophobicContact CB-CE2 3.85Å; A309-Y364 HydrophobicContact CB-CG 4.24Å; A309-Y364 VanDerWaalsContact CB-CZ 3.48Å; A309-Y364 PolarHBondContact O-OH 3.46Å; A309-Y364 VanDerWaalsContact O-OH 3.08Å
310	E	87.2	Confident	89	Confident	56 Å²	56	55.9 Å²	55.9	26%	0.262	31%	0.31	S	S	.	.	H	α-helix	trans	-71.9	-32.7	178.6	-64.6	75.1	-166.9	0	0	112.9	S308 I312 F313 P314 C360 S361 Y364	S308-E310 VanDerWaalsContact C-N 3.29Å; S308-E310 PolarHBondContact O-N 2.89Å; E310-I312 VanDerWaalsContact C-N 3.3Å; E310-F313 CarbonylContact O-C 3.41Å; E310-P314 VanDerWaalsContact O-CA 3.26Å; E310-P314 WeakPolarHBondContact O-CA 3.24Å; E310-P314 WeakPolarHBondContact O-CB 3.27Å; E310-P314 WeakPolarHBondContact O-CD 3.49Å; E310-P314 VanDerWaalsContact O-N 3.12Å; E310-C360 VanDerWaalsContact OE1-CA 3.32Å; E310-C360 WeakPolarHBondContact OE1-CA 3.47Å; E310-C360 WeakPolarHBondContact OE2-CA 3.42Å; E310-S361 WeakPolarHBondContact OE1-CB 3.27Å; E310-S361 PolarHBondContact OE1-N 2.92Å; E310-S361 PolarHBondContact OE1-OG 3.3Å; E310-Y364 HydrophobicContact CG-CD2 4.07Å; E310-Y364 HydrophobicContact CG-CE2 4.12Å; E310-Y364 WeakPolarHBondContact OE1-CD2 3.36Å
311	E	87.5	Confident	88.6	Confident	164 Å²	164	58.4 Å²	58.4	77%	0.766	32%	0.323	S	S	*	.	H	α-helix	trans	-67	-35.3	174.3	-73.7	170.9	-163.1	0	0	111.4	S308	S308-E311 WeakPolarHBondContact CB-OE2 3.16Å; S308-E311 PolarHBondContact O-N 3.45Å; S308-E311 WeakPolarHBondContact OG-CG 3.4Å; S308-E311 PolarHBondContact OG-N 3.48Å
312	I	85.4	Confident	88.3	Confident	61 Å²	61	61.7 Å²	61.7	31%	0.313	34%	0.341	S	S	.	.	H	α-helix	trans	-78.9	-45.4	178.9	-56.3	169.2	0	0	0	110.3	L307 S308 A309 E310 A327	L307-I312 HydrophobicContact CB-CD1 4.13Å; L307-I312 HydrophobicContact CD1-CD1 4.33Å; L307-I312 HydrophobicContact CD2-CD1 4.38Å; S308-I312 WeakPolarHBondContact O-CG1 3.32Å; S308-I312 PolarHBondContact O-N 3.43Å; A309-I312 PolarHBondContact O-N 2.88Å; E310-I312 VanDerWaalsContact C-N 3.3Å; I312-A327 HydrophobicContact CG2-CB 4.27Å
313	F	88	Confident	88	Confident	53 Å²	53	65.6 Å²	65.6	23%	0.232	36%	0.358	C	S	.	.			trans	-137.8	92.2	-179.6	-60.4	-67.8	0	0	0	110.7	A309 E310 V320 K323 L324 A327 Y364	A309-F313 PolarHBondContact O-N 2.86Å; E310-F313 CarbonylContact O-C 3.41Å; F313-V320 HydrophobicContact CB-CG1 4.35Å; F313-K323 HydrophobicContact CD1-CB 4.28Å; F313-K323 HydrophobicContact CD2-CB 4.32Å; F313-K323 HydrophobicContact CE1-CB 3.83Å; F313-K323 HydrophobicContact CE1-CD 4.28Å; F313-K323 VanDerWaalsContact CE2-C 3.44Å; F313-K323 HydrophobicContact CE2-CB 3.86Å; F313-K323 WeakPolarHBondContact CE2-O 3.42Å; F313-K323 HydrophobicContact CZ-CB 3.61Å; F313-L324 HydrophobicContact CD2-CB 4.39Å; F313-L324 HydrophobicContact CD2-CD1 4.42Å; F313-L324 HydrophobicContact CE2-CB 4.5Å; F313-A327 HydrophobicContact CE2-CB 3.97Å; F313-A327 HydrophobicContact CZ-CB 4.28Å; F313-Y364 PolarHBondContact O-OH 2.85Å
314	P	81.7	Confident	87.8	Confident	95 Å²	95	63.5 Å²	63.5	62%	0.617	35%	0.35	S	S	*	.			trans	-72.7	-29.6	-178	24.8	-33.2	0	0	0	113.3	E310 I316	E310-P314 VanDerWaalsContact O-CA 3.26Å; E310-P314 WeakPolarHBondContact O-CA 3.24Å; E310-P314 WeakPolarHBondContact O-CB 3.27Å; E310-P314 WeakPolarHBondContact O-CD 3.49Å; E310-P314 VanDerWaalsContact O-N 3.12Å; P314-I316 PolarHBondContact O-N 2.89Å
315	N	78.5	Confident	87.7	Confident	137 Å²	137	63.3 Å²	63.3	73%	0.733	35%	0.349	S	S	*	.	S	Bend	trans	-89.9	107.6	-176.7	-68.2	-25.6	0	0	0	111.1	G317 V320	N315-G317 PolarHBondContact O-N 3.26Å; N315-V320 WeakPolarHBondContact O-CG2 3.44Å
316	I	75.2	Confident	87.5	Confident	93 Å²	93	69.8 Å²	69.8	48%	0.477	37%	0.371	S	S	.	.			trans	-70	111.3	174.3	-54.1	176.4	0	0	0	109.3	P314 P365	P314-I316 PolarHBondContact O-N 2.89Å; I316-P365 HydrophobicContact CG2-CG 4.05Å
317	G	80.6	Confident	87.5	Confident	40 Å²	40	68.9 Å²	68.9	41%	0.412	37%	0.37	S	S	.	.			trans	-139.7	171.7	176.1	0	0	0	0	0	111.5	N315 E319 V320	N315-G317 PolarHBondContact O-N 3.26Å; G317-E319 PolarHBondContact O-N 3.11Å; G317-V320 WeakPolarHBondContact O-CB 3.33Å; G317-V320 WeakPolarHBondContact O-CG2 3.18Å; G317-V320 PolarHBondContact O-N 3.25Å
318	A	77.7	Confident	87.5	Confident	113 Å²	113	67.6 Å²	67.6	93%	0.934	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-22.3	-173.4	0	0	0	0	0	114.6
319	E	85.3	Confident	87.7	Confident	115 Å²	115	69.3 Å²	69.3	54%	0.537	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.5	-2.1	-178.8	-61.8	-174.9	159.2	0	0	114.9	G317 E321 N322 K323	G317-E319 PolarHBondContact O-N 3.11Å; E319-E321 VanDerWaalsContact C-N 3.27Å; E319-E321 PolarHBondContact O-N 3.44Å; E319-N322 PolarHBondContact O-N 3.05Å; E319-N322 VanDerWaalsContact O-N 3.09Å; E319-K323 HydrophobicContact CB-CD 4.48Å; E319-K323 PolarHBondContact O-N 3.39Å; E319-K323 WeakPolarHBondContact OE2-CE 3.38Å; E319-K323 IonicContact OE2-NZ 3.17Å; E319-K323 PolarHBondContact OE2-NZ 3.21Å
320	V	87.7	Confident	88	Confident	6 Å²	6	75.9 Å²	75.9	4%	0.036	40%	0.399	C	S	.	.	H	α-helix	trans	-61	-37.7	-171.2	169	0	0	0	0	112.3	F313 N315 G317 N322 K323 L324 Y364	F313-V320 HydrophobicContact CB-CG1 4.35Å; N315-V320 WeakPolarHBondContact O-CG2 3.44Å; G317-V320 WeakPolarHBondContact O-CB 3.33Å; G317-V320 WeakPolarHBondContact O-CG2 3.18Å; G317-V320 PolarHBondContact O-N 3.25Å; V320-N322 PolarHBondContact O-N 2.91Å; V320-K323 PolarHBondContact O-N 3.06Å; V320-L324 VanDerWaalsContact O-CB 3.31Å; V320-L324 WeakPolarHBondContact O-CB 3.28Å; V320-L324 PolarHBondContact O-N 3.09Å; V320-Y364 HydrophobicContact CG1-CE1 3.93Å; V320-Y364 VanDerWaalsContact CG1-OH 3.26Å; V320-Y364 WeakPolarHBondContact CG1-OH 3.48Å
321	E	89	Confident	88.4	Confident	77 Å²	77	77.5 Å²	77.5	36%	0.36	41%	0.405	S	S	.	.	H	α-helix	trans	-59	-46.1	175.6	-170.4	-172.8	157.1	0	0	111.7	E319 L324 Q325 F367	E319-E321 VanDerWaalsContact C-N 3.27Å; E319-E321 PolarHBondContact O-N 3.44Å; E321-L324 PolarHBondContact O-N 2.86Å; E321-Q325 WeakPolarHBondContact O-CG 3.12Å; E321-Q325 PolarHBondContact O-N 3.43Å; E321-Q325 PolarHBondContact OE1-NE2 2.73Å; E321-F367 HydrophobicContact CG-CB 3.74Å; E321-F367 HydrophobicContact CG-CD1 4.4Å; E321-F367 WeakPolarHBondContact OE1-CA 3.18Å; E321-F367 WeakPolarHBondContact OE1-CB 3.34Å
322	N	90.7	Very high	88.9	Confident	87 Å²	87	69.7 Å²	69.7	47%	0.465	37%	0.369	S	S	.	.	H	α-helix	trans	-67.4	-39.4	179.6	-72.2	-32	0	0	0	111.8	E319 V320 Q325 R326	E319-N322 PolarHBondContact O-N 3.05Å; E319-N322 VanDerWaalsContact O-N 3.09Å; V320-N322 PolarHBondContact O-N 2.91Å; N322-Q325 PolarHBondContact O-N 3.49Å; N322-R326 WeakPolarHBondContact O-CG 3.09Å; N322-R326 PolarHBondContact O-N 3.05Å; N322-R326 VanDerWaalsContact O-N 3.1Å
323	K	91	Very high	89.4	Confident	87 Å²	87	69.5 Å²	69.5	38%	0.378	37%	0.366	S	S	.	.	H	α-helix	trans	-65.6	-42.6	176.1	-69.2	179.8	-176.6	172	0	111.3	F313 E319 V320 R326 A327	F313-K323 HydrophobicContact CD1-CB 4.28Å; F313-K323 HydrophobicContact CD2-CB 4.32Å; F313-K323 HydrophobicContact CE1-CB 3.83Å; F313-K323 HydrophobicContact CE1-CD 4.28Å; F313-K323 VanDerWaalsContact CE2-C 3.44Å; F313-K323 HydrophobicContact CE2-CB 3.86Å; F313-K323 WeakPolarHBondContact CE2-O 3.42Å; F313-K323 HydrophobicContact CZ-CB 3.61Å; E319-K323 HydrophobicContact CB-CD 4.48Å; E319-K323 PolarHBondContact O-N 3.39Å; E319-K323 WeakPolarHBondContact OE2-CE 3.38Å; E319-K323 IonicContact OE2-NZ 3.17Å; E319-K323 PolarHBondContact OE2-NZ 3.21Å; V320-K323 PolarHBondContact O-N 3.06Å; K323-R326 PolarHBondContact O-N 2.79Å; K323-A327 PolarHBondContact O-N 2.75Å
324	L	93	Very high	89.9	Confident	0 Å²	0	69 Å²	69	0%	0	37%	0.372	C	S	.	.	H	α-helix	trans	-63.6	-43.5	175.4	-174.8	68	0	0	0	111.9	F313 V320 E321 R326 A327 C328 Y364 F367 F389	F313-L324 HydrophobicContact CD2-CB 4.39Å; F313-L324 HydrophobicContact CD2-CD1 4.42Å; F313-L324 HydrophobicContact CE2-CB 4.5Å; V320-L324 VanDerWaalsContact O-CB 3.31Å; V320-L324 WeakPolarHBondContact O-CB 3.28Å; V320-L324 PolarHBondContact O-N 3.09Å; E321-L324 PolarHBondContact O-N 2.86Å; L324-R326 VanDerWaalsContact C-N 3.35Å; L324-R326 PolarHBondContact O-N 2.87Å; L324-A327 PolarHBondContact O-N 3.4Å; L324-C328 WeakPolarHBondContact O-CB 3.4Å; L324-C328 PolarHBondContact O-N 3.07Å; L324-C328 PolarHBondContact O-SG 3.11Å; L324-Y364 HydrophobicContact CD2-CE1 4.06Å; L324-F367 HydrophobicContact CD2-CD1 4.28Å; L324-F367 HydrophobicContact CD2-CE1 3.89Å; L324-F367 HydrophobicContact CG-CE1 3.98Å; L324-F389 HydrophobicContact CD2-CE1 4.24Å
325	Q	93.9	Very high	90.6	Very high	26 Å²	26	65 Å²	65	12%	0.121	35%	0.345	C	S	.	.	H	α-helix	trans	-57.6	-46.6	175	-76.7	-176.7	33.4	0	0	111.6	E321 N322 C328 E329 F367 F372	E321-Q325 WeakPolarHBondContact O-CG 3.12Å; E321-Q325 PolarHBondContact O-N 3.43Å; E321-Q325 PolarHBondContact OE1-NE2 2.73Å; N322-Q325 PolarHBondContact O-N 3.49Å; Q325-C328 PolarHBondContact O-N 2.9Å; Q325-E329 WeakPolarHBondContact O-CB 3.46Å; Q325-E329 PolarHBondContact O-N 3.38Å; Q325-F367 HydrophobicContact CG-CB 4.06Å; Q325-F367 HydrophobicContact CG-CD1 3.41Å; Q325-F367 VanDerWaalsContact CG-CD1 3.41Å; Q325-F367 HydrophobicContact CG-CD2 4.01Å; Q325-F367 HydrophobicContact CG-CE1 3.71Å; Q325-F367 HydrophobicContact CG-CE2 4.28Å; Q325-F367 HydrophobicContact CG-CG 3.56Å; Q325-F367 HydrophobicContact CG-CZ 4.14Å; Q325-F367 VanDerWaalsContact NE2-CB 3.29Å; Q325-F372 HydrophobicContact CB-CD2 4.32Å; Q325-F372 HydrophobicContact CB-CE2 4.12Å; Q325-F372 HydrophobicContact CG-CD2 4.12Å; Q325-F372 HydrophobicContact CG-CE2 4.38Å; Q325-F372 WeakPolarHBondContact O-CE2 3.36Å
326	R	93.3	Very high	91.5	Very high	163 Å²	163	59 Å²	59	62%	0.615	31%	0.313	S	S	*	.	H	α-helix	trans	-62.4	-45.6	178.3	-71.3	177.1	-170.1	160.5	3.4	112.1	N322 K323 L324 C328 E329 E330	N322-R326 WeakPolarHBondContact O-CG 3.09Å; N322-R326 PolarHBondContact O-N 3.05Å; N322-R326 VanDerWaalsContact O-N 3.1Å; K323-R326 PolarHBondContact O-N 2.79Å; L324-R326 VanDerWaalsContact C-N 3.35Å; L324-R326 PolarHBondContact O-N 2.87Å; R326-C328 VanDerWaalsContact C-N 3.34Å; R326-C328 PolarHBondContact O-N 2.81Å; R326-E329 WeakPolarHBondContact O-CB 3.49Å; R326-E329 PolarHBondContact O-N 3.17Å; R326-E329 VanDerWaalsContact O-N 3.16Å; R326-E330 WeakPolarHBondContact O-CG 3.31Å; R326-E330 PolarHBondContact O-N 3.19Å
327	A	94	Very high	92.5	Very high	25 Å²	25	58.4 Å²	58.4	21%	0.207	31%	0.311	C	S	.	.	H	α-helix	trans	-62.2	-40.7	177.5	0	0	0	0	0	112.3	I312 F313 K323 L324 K331	I312-A327 HydrophobicContact CG2-CB 4.27Å; F313-A327 HydrophobicContact CE2-CB 3.97Å; F313-A327 HydrophobicContact CZ-CB 4.28Å; K323-A327 PolarHBondContact O-N 2.75Å; L324-A327 PolarHBondContact O-N 3.4Å; A327-K331 WeakPolarHBondContact O-CB 3.49Å; A327-K331 PolarHBondContact O-N 3.5Å
328	C	95.5	Very high	93.1	Very high	1 Å²	1	59.8 Å²	59.8	1%	0.007	31%	0.309	C	S	.	.	H	α-helix	trans	-62.7	-43.7	173.8	-67.1	0	0	0	0	111.2	L324 Q325 R326 K331 I332 L356 I358 F372	L324-C328 WeakPolarHBondContact O-CB 3.4Å; L324-C328 PolarHBondContact O-N 3.07Å; L324-C328 PolarHBondContact O-SG 3.11Å; Q325-C328 PolarHBondContact O-N 2.9Å; R326-C328 VanDerWaalsContact C-N 3.34Å; R326-C328 PolarHBondContact O-N 2.81Å; C328-K331 PolarHBondContact O-N 3.18Å; C328-I332 VanDerWaalsContact O-CD1 3.3Å; C328-I332 WeakPolarHBondContact O-CD1 3.38Å; C328-I332 VanDerWaalsContact O-CG1 3.24Å; C328-I332 WeakPolarHBondContact O-CG1 3.3Å; C328-I332 PolarHBondContact O-N 3.27Å; C328-L356 HydrophobicContact CB-CD1 4.06Å; C328-I358 VanDerWaalsContact SG-CD1 3.58Å; C328-F372 HydrophobicContact CB-CE1 4.32Å; C328-F372 HydrophobicContact CB-CE2 4.47Å; C328-F372 HydrophobicContact CB-CZ 3.78Å
329	E	96.2	Very high	93.9	Very high	56 Å²	56	54.6 Å²	54.6	26%	0.262	27%	0.266	S	S	.	.	H	α-helix	trans	-62	-47.3	-179.9	175.9	161.5	-171.6	0	0	112	Q325 R326 K331 I332 H333 F372 R375 F376	Q325-E329 WeakPolarHBondContact O-CB 3.46Å; Q325-E329 PolarHBondContact O-N 3.38Å; R326-E329 WeakPolarHBondContact O-CB 3.49Å; R326-E329 PolarHBondContact O-N 3.17Å; R326-E329 VanDerWaalsContact O-N 3.16Å; E329-K331 VanDerWaalsContact C-N 3.33Å; E329-K331 PolarHBondContact O-N 2.76Å; E329-I332 PolarHBondContact O-N 2.64Å; E329-H333 PolarHBondContact O-CD2 3.41Å; E329-H333 PolarHBondContact O-N 2.96Å; E329-H333 IonicContact OE1-NE2 3.98Å; E329-F372 HydrophobicContact CB-CE2 4.29Å; E329-F372 HydrophobicContact CB-CZ 4.11Å; E329-R375 IonicContact OE2-NH1 2.88Å; E329-R375 PolarHBondContact OE2-NH1 2.85Å; E329-F376 HydrophobicContact CB-CZ 4.22Å; E329-F376 HydrophobicContact CG-CZ 3.96Å
330	E	96.2	Very high	94.2	Very high	139 Å²	139	54.8 Å²	54.8	65%	0.65	27%	0.268	S	S	*	.	H	α-helix	trans	-57.3	-45.1	172.9	-72.1	172.3	-169.2	0	0	111.9	R326 I332 H333 A334	R326-E330 WeakPolarHBondContact O-CG 3.31Å; R326-E330 PolarHBondContact O-N 3.19Å; E330-I332 PolarHBondContact O-N 3.45Å; E330-H333 PolarHBondContact O-N 3.48Å; E330-A334 PolarHBondContact O-N 3.4Å
331	K	96.5	Very high	94.4	Very high	90 Å²	90	62.3 Å²	62.3	39%	0.391	30%	0.301	S	S	.	.	H	α-helix	trans	-63.1	-41.9	178.4	-171.3	64.2	171.1	-174.1	0	111.9	A327 C328 E329 A334 L335 L356	A327-K331 WeakPolarHBondContact O-CB 3.49Å; A327-K331 PolarHBondContact O-N 3.5Å; C328-K331 PolarHBondContact O-N 3.18Å; E329-K331 VanDerWaalsContact C-N 3.33Å; E329-K331 PolarHBondContact O-N 2.76Å; K331-A334 WeakPolarHBondContact O-CB 3.14Å; K331-A334 PolarHBondContact O-N 2.82Å; K331-L335 WeakPolarHBondContact O-CG 3.23Å; K331-L335 PolarHBondContact O-N 2.87Å; K331-L356 HydrophobicContact CG-CD2 4.42Å
332	I	97.1	Very high	94.3	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-67.2	-42.3	178.8	-69.2	155.7	0	0	0	110.7	C328 E329 E330 A334 L335 I336 V354 L356 F372 F376 L386 I387	C328-I332 VanDerWaalsContact O-CD1 3.3Å; C328-I332 WeakPolarHBondContact O-CD1 3.38Å; C328-I332 VanDerWaalsContact O-CG1 3.24Å; C328-I332 WeakPolarHBondContact O-CG1 3.3Å; C328-I332 PolarHBondContact O-N 3.27Å; E329-I332 PolarHBondContact O-N 2.64Å; E330-I332 PolarHBondContact O-N 3.45Å; I332-A334 VanDerWaalsContact C-N 3.29Å; I332-A334 PolarHBondContact O-N 2.83Å; I332-L335 PolarHBondContact O-N 3.32Å; I332-I336 HydrophobicContact CG2-CD1 3.67Å; I332-I336 HydrophobicContact CG2-CG1 4.24Å; I332-I336 VanDerWaalsContact O-CG1 3.3Å; I332-I336 WeakPolarHBondContact O-CG1 3.27Å; I332-I336 PolarHBondContact O-N 3.32Å; I332-V354 HydrophobicContact CG1-CG1 4.45Å; I332-L356 HydrophobicContact CD1-CD1 3.75Å; I332-L356 HydrophobicContact CD1-CG 4.41Å; I332-L356 HydrophobicContact CG1-CD1 3.67Å; I332-L356 HydrophobicContact CG1-CG 4.13Å; I332-F372 HydrophobicContact CD1-CE1 3.48Å; I332-F372 VanDerWaalsContact CD1-CE1 3.48Å; I332-F372 HydrophobicContact CD1-CZ 3.92Å; I332-F376 HydrophobicContact CB-CE1 3.93Å; I332-F376 HydrophobicContact CB-CZ 3.93Å; I332-F376 HydrophobicContact CD1-CE2 3.92Å; I332-F376 HydrophobicContact CD1-CZ 4.02Å; I332-F376 HydrophobicContact CG2-CD1 3.56Å; I332-F376 HydrophobicContact CG2-CD2 4.42Å; I332-F376 HydrophobicContact CG2-CE1 3.38Å; I332-F376 HydrophobicContact CG2-CE2 4.28Å; I332-F376 HydrophobicContact CG2-CG 4.09Å; I332-F376 HydrophobicContact CG2-CZ 3.76Å; I332-L386 HydrophobicContact CD1-CD1 4.11Å; I332-L386 HydrophobicContact CD1-CD2 3.6Å; I332-L386 HydrophobicContact CD1-CG 3.97Å; I332-L386 HydrophobicContact CG1-CD1 4.25Å; I332-L386 HydrophobicContact CG1-CD2 4.47Å; I332-I387 HydrophobicContact CD1-CD1 4.25Å
333	H	97.6	Very high	94.1	Very high	56 Å²	56	62.3 Å²	62.3	26%	0.259	30%	0.296	S	S	.	.	H	α-helix	trans	-58.9	-41.1	173.4	-76.8	-55.6	0	0	0	112.1	E329 E330 I336 N337 F376	E329-H333 PolarHBondContact O-CD2 3.41Å; E329-H333 PolarHBondContact O-N 2.96Å; E329-H333 IonicContact OE1-NE2 3.98Å; E330-H333 PolarHBondContact O-N 3.48Å; H333-I336 PolarHBondContact O-N 2.75Å; H333-N337 WeakPolarHBondContact O-CB 3.29Å; H333-N337 PolarHBondContact O-N 3.45Å; H333-N337 PolarHBondContact O-ND2 2.96Å; H333-F376 AromaticContact CE1-CE1 3.75Å; H333-F376 AromaticContact NE2-CE1 3.84Å
334	A	97.3	Very high	93.3	Very high	42 Å²	42	63.9 Å²	63.9	35%	0.347	31%	0.308	S	S	.	.	H	α-helix	trans	-62.3	-43.8	174.4	0	0	0	0	0	112.3	E330 K331 I332 N337 N338	E330-A334 PolarHBondContact O-N 3.4Å; K331-A334 WeakPolarHBondContact O-CB 3.14Å; K331-A334 PolarHBondContact O-N 2.82Å; I332-A334 VanDerWaalsContact C-N 3.29Å; I332-A334 PolarHBondContact O-N 2.83Å; A334-N337 PolarHBondContact O-N 3.4Å; A334-N338 VanDerWaalsContact O-CG 3.23Å; A334-N338 PolarHBondContact O-N 3.32Å; A334-N338 PolarHBondContact O-OD1 2.91Å
335	L	96.9	Very high	92.8	Very high	12 Å²	12	65.2 Å²	65.2	6%	0.063	32%	0.318	C	S	.	.	H	α-helix	trans	-65.2	-41.4	177.5	-67.6	174.5	0	0	0	112.6	Y303 V305 K331 I332 N337 N338 A339 V354 L356	Y303-L335 HydrophobicContact CD1-CD2 4.05Å; Y303-L335 HydrophobicContact CG-CD2 4.26Å; V305-L335 HydrophobicContact CG2-CD1 3.73Å; V305-L335 HydrophobicContact CG2-CD2 4.02Å; V305-L335 HydrophobicContact CG2-CG 4.47Å; K331-L335 WeakPolarHBondContact O-CG 3.23Å; K331-L335 PolarHBondContact O-N 2.87Å; I332-L335 PolarHBondContact O-N 3.32Å; L335-N337 VanDerWaalsContact C-N 3.33Å; L335-N337 PolarHBondContact O-N 3.31Å; L335-N338 PolarHBondContact O-N 3.02Å; L335-A339 PolarHBondContact O-N 2.9Å; L335-V354 HydrophobicContact CD1-CG1 3.72Å; L335-L356 HydrophobicContact CD1-CD2 4Å
336	I	96.5	Very high	92.6	Very high	11 Å²	11	67.4 Å²	67.4	6%	0.056	35%	0.347	C	S	.	.	H	α-helix	trans	-62.2	-42.4	174.9	-69.1	167.2	0	0	0	110.4	I332 H333 A339 M340 F376 R379 I380	I332-I336 HydrophobicContact CG2-CD1 3.67Å; I332-I336 HydrophobicContact CG2-CG1 4.24Å; I332-I336 VanDerWaalsContact O-CG1 3.3Å; I332-I336 WeakPolarHBondContact O-CG1 3.27Å; I332-I336 PolarHBondContact O-N 3.32Å; H333-I336 PolarHBondContact O-N 2.75Å; I336-A339 WeakPolarHBondContact O-CB 3.34Å; I336-A339 PolarHBondContact O-N 3.14Å; I336-M340 HydrophobicContact CG2-CE 3.42Å; I336-M340 VanDerWaalsContact CG2-CE 3.42Å; I336-M340 WeakPolarHBondContact O-CG 3.37Å; I336-M340 PolarHBondContact O-N 2.87Å; I336-F376 HydrophobicContact CD1-CD1 3.9Å; I336-F376 HydrophobicContact CD1-CE1 4.42Å; I336-R379 HydrophobicContact CD1-CB 4.23Å; I336-I380 HydrophobicContact CD1-CG2 3.71Å; I336-I380 HydrophobicContact CG1-CG2 3.74Å
337	N	96	Very high	92.5	Very high	81 Å²	81	65 Å²	65	43%	0.433	35%	0.346	S	S	.	.	H	α-helix	trans	-66	-38.2	176.3	-71.9	-21.4	0	0	0	112.3	H333 A334 L335 M340 K341	H333-N337 WeakPolarHBondContact O-CB 3.29Å; H333-N337 PolarHBondContact O-N 3.45Å; H333-N337 PolarHBondContact O-ND2 2.96Å; A334-N337 PolarHBondContact O-N 3.4Å; L335-N337 VanDerWaalsContact C-N 3.33Å; L335-N337 PolarHBondContact O-N 3.31Å; N337-M340 PolarHBondContact O-N 2.89Å; N337-K341 WeakPolarHBondContact O-CG 3.49Å; N337-K341 PolarHBondContact O-N 3.32Å; N337-K341 VanDerWaalsContact O-N 3.08Å
338	N	94.5	Very high	92.5	Very high	68 Å²	68	64.4 Å²	64.4	36%	0.364	34%	0.338	S	S	.	.	H	α-helix	trans	-62.8	-44.9	172.9	-69.6	-6.4	0	0	0	110.4	A334 L335 M340 K341 D342	A334-N338 VanDerWaalsContact O-CG 3.23Å; A334-N338 PolarHBondContact O-N 3.32Å; A334-N338 PolarHBondContact O-OD1 2.91Å; L335-N338 PolarHBondContact O-N 3.02Å; N338-M340 VanDerWaalsContact C-N 3.29Å; N338-M340 PolarHBondContact O-N 3.08Å; N338-K341 PolarHBondContact O-N 3.17Å; N338-D342 VanDerWaalsContact O-CB 3.3Å; N338-D342 WeakPolarHBondContact O-CB 3.12Å; N338-D342 PolarHBondContact O-N 2.91Å
339	A	93.8	Very high	92.5	Very high	4 Å²	4	65.4 Å²	65.4	3%	0.033	34%	0.344	C	S	.	.	H	α-helix	trans	-55	-45.3	176.3	0	0	0	0	0	112.4	Q301 Y303 L335 I336 K341 D342 R343 P352	Q301-A339 PolarHBondContact NE2-O 3.47Å; Q301-A339 VanDerWaalsContact NE2-O 3.12Å; Q301-A339 PolarHBondContact OE1-O 3.37Å; Y303-A339 HydrophobicContact CD2-CB 4.48Å; Y303-A339 HydrophobicContact CE2-CB 3.58Å; Y303-A339 WeakPolarHBondContact OH-CA 3.3Å; Y303-A339 PolarHBondContact OH-N 3.42Å; L335-A339 PolarHBondContact O-N 2.9Å; I336-A339 WeakPolarHBondContact O-CB 3.34Å; I336-A339 PolarHBondContact O-N 3.14Å; A339-K341 PolarHBondContact O-N 2.83Å; A339-D342 PolarHBondContact O-N 3.01Å; A339-R343 PolarHBondContact O-N 3.18Å; A339-P352 HydrophobicContact CB-CB 3.71Å; A339-P352 HydrophobicContact CB-CG 3.63Å
340	M	92.4	Very high	92.3	Very high	119 Å²	119	68 Å²	68	59%	0.586	36%	0.361	S	S	*	.	H	α-helix	trans	-63.2	-38.9	176.3	-70.3	-170.6	-121.5	0	0	113	I336 N337 N338 R343	I336-M340 HydrophobicContact CG2-CE 3.42Å; I336-M340 VanDerWaalsContact CG2-CE 3.42Å; I336-M340 WeakPolarHBondContact O-CG 3.37Å; I336-M340 PolarHBondContact O-N 2.87Å; N337-M340 PolarHBondContact O-N 2.89Å; N338-M340 VanDerWaalsContact C-N 3.29Å; N338-M340 PolarHBondContact O-N 3.08Å; M340-R343 WeakPolarHBondContact O-CB 3.07Å
341	K	91.2	Very high	92.3	Very high	165 Å²	165	63.4 Å²	63.4	72%	0.717	34%	0.34	S	S	*	.	H	α-helix	trans	-72.7	-40.2	178.3	-72	175.3	-178.8	-179.8	0	112.6	N337 N338 A339 R343	N337-K341 WeakPolarHBondContact O-CG 3.49Å; N337-K341 PolarHBondContact O-N 3.32Å; N337-K341 VanDerWaalsContact O-N 3.08Å; N338-K341 PolarHBondContact O-N 3.17Å; A339-K341 PolarHBondContact O-N 2.83Å; K341-R343 PolarHBondContact O-N 3.42Å
342	D	87.5	Confident	92.4	Very high	73 Å²	73	59.2 Å²	59.2	39%	0.39	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.6	4.2	-180	-61	-18.2	0	0	0	111.9	Y303 N338 A339 L344 R348	Y303-D342 PolarHBondContact OH-OD2 2.93Å; N338-D342 VanDerWaalsContact O-CB 3.3Å; N338-D342 WeakPolarHBondContact O-CB 3.12Å; N338-D342 PolarHBondContact O-N 2.91Å; A339-D342 PolarHBondContact O-N 3.01Å; D342-L344 VanDerWaalsContact C-N 3.3Å; D342-L344 PolarHBondContact O-N 3.32Å; D342-R348 PolarHBondContact O-NH1 3.34Å
343	R	85.6	Confident	92.4	Very high	91 Å²	91	59.3 Å²	59.3	34%	0.343	32%	0.323	S	S	.	.			trans	-74.8	83.7	176.1	-164.4	-176.1	177.1	-169.8	10	109.9	A339 M340 K341 S345 G346 R348 D350	A339-R343 PolarHBondContact O-N 3.18Å; M340-R343 WeakPolarHBondContact O-CB 3.07Å; K341-R343 PolarHBondContact O-N 3.42Å; R343-S345 WeakPolarHBondContact CG-O 3.25Å; R343-S345 PolarHBondContact NE-O 2.91Å; R343-S345 PolarHBondContact O-N 3.5Å; R343-G346 PolarHBondContact NH2-O 3.06Å; R343-R348 HydrophobicContact CG-CB 4.06Å; R343-R348 VanDerWaalsContact CZ-O 3.31Å; R343-R348 PolarHBondContact NE-O 2.65Å; R343-R348 PolarHBondContact NH2-O 3.17Å; R343-D350 IonicContact CZ-OD1 3.66Å; R343-D350 IonicContact NE-OD1 3.1Å; R343-D350 IonicContact NH1-OD1 2.65Å; R343-D350 PolarHBondContact NH1-OD1 2.78Å; R343-D350 IonicContact NH2-OD1 3.58Å; R343-D350 PolarHBondContact NH2-OD1 3.31Å
344	L	75.1	Confident	92.4	Very high	119 Å²	119	56.7 Å²	56.7	62%	0.623	31%	0.31	S	S	*	.			trans	-64.6	-22.4	-177.5	-62.8	175.6	0	0	0	114.2	D342	D342-L344 VanDerWaalsContact C-N 3.3Å; D342-L344 PolarHBondContact O-N 3.32Å
345	S	82.8	Confident	92.4	Very high	29 Å²	29	56.8 Å²	56.8	20%	0.203	30%	0.302	C	S	.	.	S	Bend	trans	-147.9	155.1	-178.1	73.2	0	0	0	0	112.1	R343 L347 R348	R343-S345 WeakPolarHBondContact CG-O 3.25Å; R343-S345 PolarHBondContact NE-O 2.91Å; R343-S345 PolarHBondContact O-N 3.5Å; S345-L347 PolarHBondContact O-N 2.93Å; S345-L347 PolarHBondContact OG-N 3.22Å; S345-R348 PolarHBondContact O-N 2.96Å
346	G	88.1	Confident	92.4	Very high	71 Å²	71	56.2 Å²	56.2	73%	0.732	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-7.6	171.6	0	0	0	0	0	114.1	R343	R343-G346 PolarHBondContact NH2-O 3.06Å
347	L	91.6	Very high	92.4	Very high	114 Å²	114	58.8 Å²	58.8	60%	0.597	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-23.6	177.1	-61.8	177.3	0	0	0	112.5	Q297 T298 S345	Q297-L347 HydrophobicContact CB-CB 4.46Å; T298-L347 HydrophobicContact CG2-CB 4.07Å; S345-L347 PolarHBondContact O-N 2.93Å; S345-L347 PolarHBondContact OG-N 3.22Å
348	R	94	Very high	92.4	Very high	11 Å²	11	55 Å²	55	4%	0.042	29%	0.287	C	S	.	.	S	Bend	trans	-72.3	131.7	-180	-170	166	-85.8	-176.7	-3.5	110.2	E295 L296 Q297 Q301 D342 R343 S345	E295-R348 IonicContact OE1-CZ 3.86Å; E295-R348 IonicContact OE1-NH1 3.95Å; E295-R348 IonicContact OE1-NH2 2.93Å; E295-R348 PolarHBondContact OE1-NH2 2.89Å; L296-R348 PolarHBondContact O-NH2 2.97Å; Q297-R348 WeakPolarHBondContact O-CA 3.49Å; Q297-R348 WeakPolarHBondContact O-CB 3.47Å; Q297-R348 PolarHBondContact O-N 2.83Å; Q301-R348 HydrophobicContact CG-CG 4.47Å; D342-R348 PolarHBondContact O-NH1 3.34Å; R343-R348 HydrophobicContact CG-CB 4.06Å; R343-R348 VanDerWaalsContact CZ-O 3.31Å; R343-R348 PolarHBondContact NE-O 2.65Å; R343-R348 PolarHBondContact NH2-O 3.17Å; S345-R348 PolarHBondContact O-N 2.96Å
349	P	94.9	Very high	92.3	Very high	22 Å²	22	57 Å²	57	14%	0.143	29%	0.29	C	S	.	.			trans	-57.5	144.6	179.6	-27.4	34.7	0	0	0	113.6	T298 R300	T298-P349 WeakPolarHBondContact O-CD 3.49Å; R300-P349 HydrophobicContact CB-CB 4.43Å; R300-P349 HydrophobicContact CB-CG 4.14Å; R300-P349 HydrophobicContact CG-CB 4.33Å
350	D	92.9	Very high	92.2	Very high	112 Å²	112	57 Å²	57	60%	0.599	29%	0.29	S	S	*	.	S	Bend	trans	-68.4	-38.2	-173.4	-64.1	-44.5	0	0	0	114	R343	R343-D350 IonicContact CZ-OD1 3.66Å; R343-D350 IonicContact NE-OD1 3.1Å; R343-D350 IonicContact NH1-OD1 2.65Å; R343-D350 PolarHBondContact NH1-OD1 2.78Å; R343-D350 IonicContact NH2-OD1 3.58Å; R343-D350 PolarHBondContact NH2-OD1 3.31Å
351	L	96.5	Very high	92	Very high	41 Å²	41	52.6 Å²	52.6	22%	0.215	27%	0.27	C	S	.	.	S	Bend	trans	-96.5	115	-173.7	-54.8	-175.1	0	0	0	110.6	V32 R300 G378 A381	V32-L351 HydrophobicContact CG1-CB 4.39Å; V32-L351 HydrophobicContact CG1-CD1 4.01Å; V32-L351 HydrophobicContact CG2-CD1 4.4Å; R300-L351 VanDerWaalsContact CD-O 3.3Å; R300-L351 WeakPolarHBondContact CD-O 3.42Å; R300-L351 WeakPolarHBondContact CG-O 3.27Å; R300-L351 PolarHBondContact NH1-O 3.21Å; L351-G378 WeakPolarHBondContact CD2-O 3.49Å; L351-A381 HydrophobicContact CB-CB 4.24Å
352	P	97.1	Very high	91.7	Very high	3 Å²	3	47.5 Å²	47.5	2%	0.019	26%	0.259	C	S	.	.			trans	-74.1	162.2	177.6	32.1	-36.7	0	0	0	111.8	Q301 Y303 A339 V354 I380 A381	Q301-P352 HydrophobicContact CB-CB 4.26Å; Y303-P352 HydrophobicContact CD2-CB 4.32Å; Y303-P352 HydrophobicContact CE2-CB 4.35Å; A339-P352 HydrophobicContact CB-CB 3.71Å; A339-P352 HydrophobicContact CB-CG 3.63Å; P352-V354 HydrophobicContact CG-CG2 4.34Å; P352-I380 HydrophobicContact CG-CG2 4.35Å; P352-I380 WeakPolarHBondContact O-CA 3.42Å; P352-I380 WeakPolarHBondContact O-CB 3.32Å; P352-A381 PolarHBondContact O-N 2.89Å
353	L	98	Very high	91.5	Very high	2 Å²	2	49.8 Å²	49.8	1%	0.01	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	135.9	160.8	-64.9	166.4	0	0	0	109	A266 L269 R300 Q301 F302 Y303 A381 N382	A266-L353 HydrophobicContact CB-CD1 3.86Å; L269-L353 HydrophobicContact CD2-CB 4.41Å; L269-L353 HydrophobicContact CD2-CD2 4.31Å; R300-L353 HydrophobicContact CG-CG 4.36Å; Q301-L353 PolarHBondContact O-N 2.81Å; F302-L353 WeakPolarHBondContact CA-O 3.4Å; F302-L353 HydrophobicContact CB-CB 3.98Å; F302-L353 HydrophobicContact CB-CD1 4.33Å; F302-L353 HydrophobicContact CD2-CB 3.54Å; F302-L353 HydrophobicContact CE2-CB 4.39Å; F302-L353 HydrophobicContact CG-CB 4Å; F302-L353 HydrophobicContact CG-CD1 4.5Å; Y303-L353 PolarHBondContact N-O 2.79Å; L353-A381 HydrophobicContact CD2-CB 3.77Å; L353-A381 HydrophobicContact CG-CB 4.38Å; L353-N382 WeakPolarHBondContact CA-OD1 3.19Å; L353-N382 HydrophobicContact CD2-CB 3.64Å
354	V	97.8	Very high	91.6	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	130.9	176.8	-177.8	0	0	0	0	109.5	Y303 I332 L335 P352 I380 N382 L386	Y303-V354 CarbonylContact O-C 3.59Å; Y303-V354 WeakPolarHBondContact O-CA 3.13Å; I332-V354 HydrophobicContact CG1-CG1 4.45Å; L335-V354 HydrophobicContact CD1-CG1 3.72Å; P352-V354 HydrophobicContact CG-CG2 4.34Å; V354-I380 HydrophobicContact CG2-CG2 3.95Å; V354-N382 PolarHBondContact N-OD1 2.9Å; V354-N382 PolarHBondContact O-ND2 3Å; V354-N382 PolarHBondContact O-OD1 3.27Å; V354-L386 HydrophobicContact CB-CD1 3.7Å; V354-L386 HydrophobicContact CG1-CD1 3.61Å; V354-L386 WeakPolarHBondContact O-CD1 3.28Å
355	R	97.4	Very high	92.2	Very high	45 Å²	45	42 Å²	42	17%	0.17	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	117.6	174	-175	70.3	165.1	-176.7	1	109.3	L269 F302 Y303 F304 V305 N385 L386 S388	L269-R355 HydrophobicContact CB-CG 4.31Å; F302-R355 HydrophobicContact CE2-CB 3.74Å; F302-R355 HydrophobicContact CZ-CB 4.1Å; Y303-R355 PolarHBondContact O-N 3.44Å; F304-R355 WeakPolarHBondContact CA-O 3.17Å; F304-R355 HydrophobicContact CD2-CB 3.8Å; F304-R355 HydrophobicContact CD2-CG 3.75Å; F304-R355 HydrophobicContact CE2-CB 4.26Å; F304-R355 HydrophobicContact CE2-CG 3.67Å; V305-R355 PolarHBondContact N-O 2.96Å; R355-N385 WeakPolarHBondContact CD-O 3.14Å; R355-N385 PolarHBondContact NH1-O 3.47Å; R355-L386 CarbonylContact C-O 3.57Å; R355-L386 WeakPolarHBondContact CA-O 3.46Å; R355-S388 VanDerWaalsContact NH2-CB 3.27Å; R355-S388 PolarHBondContact NH2-OG 3.09Å; R355-S388 VanDerWaalsContact NH2-OG 3.12Å
356	L	97.3	Very high	92.6	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	118.2	167.4	-57.3	-171.3	0	0	0	109.4	V305 L307 C328 K331 I332 L335 L386 I387 S388	V305-L356 HydrophobicContact CB-CD2 3.69Å; V305-L356 HydrophobicContact CG1-CD2 4.27Å; V305-L356 HydrophobicContact CG2-CD2 4.37Å; V305-L356 CarbonylContact O-C 3.6Å; V305-L356 WeakPolarHBondContact O-CA 3.42Å; L307-L356 HydrophobicContact CD1-CD1 4.2Å; C328-L356 HydrophobicContact CB-CD1 4.06Å; K331-L356 HydrophobicContact CG-CD2 4.42Å; I332-L356 HydrophobicContact CD1-CD1 3.75Å; I332-L356 HydrophobicContact CD1-CG 4.41Å; I332-L356 HydrophobicContact CG1-CD1 3.67Å; I332-L356 HydrophobicContact CG1-CG 4.13Å; L335-L356 HydrophobicContact CD1-CD2 4Å; L356-L386 PolarHBondContact N-O 3.05Å; L356-I387 HydrophobicContact CB-CD1 3.71Å; L356-I387 HydrophobicContact CD1-CD1 3.74Å; L356-I387 HydrophobicContact CG-CD1 4Å; L356-I387 CarbonylContact O-C 3.59Å; L356-I387 WeakPolarHBondContact O-CA 3.24Å; L356-S388 PolarHBondContact O-N 2.76Å
357	R	96.1	Very high	92.8	Very high	65 Å²	65	40.2 Å²	40.2	25%	0.245	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	110.4	171.3	177.4	171.8	72.6	-166.6	-6.7	108.6	E271 F304 V305 D306 L307 S388 V390	E271-R357 IonicContact OE2-CZ 2.69Å; E271-R357 IonicContact OE2-NH1 3.25Å; E271-R357 IonicContact OE2-NH2 3.64Å; E271-R357 PolarHBondContact OE2-NH2 3.45Å; F304-R357 HydrophobicContact CE1-CB 4.08Å; F304-R357 HydrophobicContact CZ-CB 3.71Å; F304-R357 HydrophobicContact CZ-CG 4.4Å; V305-R357 PolarHBondContact O-N 3.06Å; D306-R357 WeakPolarHBondContact CA-O 3.23Å; D306-R357 VanDerWaalsContact CG-NH2 3.27Å; D306-R357 VanDerWaalsContact OD1-CB 3.29Å; D306-R357 WeakPolarHBondContact OD1-CB 3.42Å; D306-R357 IonicContact OD1-CZ 3.31Å; D306-R357 VanDerWaalsContact OD1-CZ 3.25Å; D306-R357 IonicContact OD1-NE 3.06Å; D306-R357 PolarHBondContact OD1-NE 3.27Å; D306-R357 IonicContact OD1-NH2 2.7Å; D306-R357 PolarHBondContact OD1-NH2 2.69Å; D306-R357 VanDerWaalsContact OD1-NH2 3.1Å; D306-R357 IonicContact OD2-CZ 3.74Å; D306-R357 IonicContact OD2-NE 3.99Å; D306-R357 IonicContact OD2-NH2 3.59Å; D306-R357 PolarHBondContact OD2-NH2 2.78Å; L307-R357 PolarHBondContact N-O 2.94Å; R357-S388 CarbonylContact C-O 3.54Å; R357-S388 WeakPolarHBondContact CA-O 3.28Å; R357-V390 HydrophobicContact CG-CG2 3.71Å
358	I	95.2	Very high	92.9	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	105	-176.8	-54.6	175.8	0	0	0	108.3	L307 A309 C328 F367 I387 S388 F389 V390	L307-I358 CarbonylContact O-C 3.58Å; L307-I358 WeakPolarHBondContact O-CA 3.3Å; A309-I358 HydrophobicContact CB-CG2 3.86Å; C328-I358 VanDerWaalsContact SG-CD1 3.58Å; I358-F367 HydrophobicContact CD1-CZ 4.45Å; I358-I387 HydrophobicContact CD1-CG2 3.71Å; I358-I387 HydrophobicContact CG1-CG2 4.36Å; I358-S388 PolarHBondContact N-O 2.7Å; I358-F389 HydrophobicContact CB-CD1 3.91Å; I358-F389 HydrophobicContact CB-CE1 4.09Å; I358-F389 HydrophobicContact CD1-CD1 4.36Å; I358-F389 HydrophobicContact CD1-CE1 3.73Å; I358-F389 HydrophobicContact CD1-CZ 4.11Å; I358-F389 HydrophobicContact CG1-CE1 4.49Å; I358-F389 HydrophobicContact CG2-CD1 4.08Å; I358-F389 HydrophobicContact CG2-CE1 4.08Å; I358-F389 WeakPolarHBondContact O-CA 3.45Å; I358-V390 PolarHBondContact O-N 3.47Å
359	R	93.6	Very high	92.9	Very high	110 Å²	110	40.2 Å²	40.2	42%	0.415	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	133.4	169.3	-70.8	-173.4	-77.7	-98.6	1.4	109	D306 L307 A309 V390	D306-R359 IonicContact OD1-NH1 3.66Å; D306-R359 IonicContact OD2-CZ 3.49Å; D306-R359 IonicContact OD2-NH1 3.93Å; D306-R359 PolarHBondContact OD2-NH1 2.89Å; D306-R359 IonicContact OD2-NH2 3.47Å; D306-R359 PolarHBondContact OD2-NH2 3.44Å; L307-R359 PolarHBondContact O-N 3.25Å; A309-R359 PolarHBondContact N-O 3.23Å; R359-V390 WeakPolarHBondContact CA-O 3.19Å; R359-V390 HydrophobicContact CG-CB 4.4Å
360	C	91	Very high	92.8	Very high	5 Å²	5	45.1 Å²	45.1	3%	0.034	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	162.9	179.8	55	0	0	0	0	111	A309 E310 Y364 V390 K391 S392	A309-C360 HydrophobicContact CB-CB 3.8Å; E310-C360 VanDerWaalsContact OE1-CA 3.32Å; E310-C360 WeakPolarHBondContact OE1-CA 3.47Å; E310-C360 WeakPolarHBondContact OE2-CA 3.42Å; C360-Y364 HydrophobicContact CB-CD1 4.11Å; C360-Y364 HydrophobicContact CB-CG 3.85Å; C360-V390 PolarHBondContact N-O 3.02Å; C360-K391 CarbonylContact O-C 3.43Å; C360-K391 VanDerWaalsContact O-CA 3.23Å; C360-K391 WeakPolarHBondContact O-CA 3.15Å; C360-S392 PolarHBondContact O-N 2.92Å
361	S	88.1	Confident	92.8	Very high	26 Å²	26	49.2 Å²	49.2	18%	0.182	24%	0.243	C	C	.	.			trans	-68.6	161	173.1	75.5	0	0	0	0	110.7	E310 D363 Y364 S392	E310-S361 WeakPolarHBondContact OE1-CB 3.27Å; E310-S361 PolarHBondContact OE1-N 2.92Å; E310-S361 PolarHBondContact OE1-OG 3.3Å; S361-D363 VanDerWaalsContact CB-OD1 3.23Å; S361-D363 WeakPolarHBondContact CB-OD1 3.47Å; S361-D363 PolarHBondContact O-N 3.4Å; S361-D363 PolarHBondContact OG-OD1 3.02Å; S361-Y364 WeakPolarHBondContact O-CB 3.19Å; S361-Y364 PolarHBondContact O-N 3.45Å; S361-Y364 PolarHBondContact OG-N 3.23Å; S361-S392 WeakPolarHBondContact CA-OG 3.47Å
362	A	84.5	Confident	92.8	Very high	58 Å²	58	47.5 Å²	47.5	48%	0.479	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-38.1	-179.2	0	0	0	0	0	112.7	K391	A362-K391 PolarHBondContact O-NZ 2.94Å
363	D	84.8	Confident	92.8	Very high	122 Å²	122	47.3 Å²	47.3	65%	0.652	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.5	-6.4	-177.3	55.8	-33.7	0	0	0	114.3	S361	S361-D363 VanDerWaalsContact CB-OD1 3.23Å; S361-D363 WeakPolarHBondContact CB-OD1 3.47Å; S361-D363 PolarHBondContact O-N 3.4Å; S361-D363 PolarHBondContact OG-OD1 3.02Å
364	Y	87.2	Confident	92.6	Very high	3 Å²	3	55.1 Å²	55.1	1%	0.012	26%	0.262	C	S	.	.	S	Bend	trans	-63.2	132.7	178.6	-155.8	-83	0	0	0	111.6	A309 E310 F313 V320 L324 C360 S361 T366 K391	A309-Y364 HydrophobicContact CB-CD1 3.89Å; A309-Y364 HydrophobicContact CB-CD2 4.22Å; A309-Y364 HydrophobicContact CB-CE1 3.54Å; A309-Y364 HydrophobicContact CB-CE2 3.85Å; A309-Y364 HydrophobicContact CB-CG 4.24Å; A309-Y364 VanDerWaalsContact CB-CZ 3.48Å; A309-Y364 PolarHBondContact O-OH 3.46Å; A309-Y364 VanDerWaalsContact O-OH 3.08Å; E310-Y364 HydrophobicContact CG-CD2 4.07Å; E310-Y364 HydrophobicContact CG-CE2 4.12Å; E310-Y364 WeakPolarHBondContact OE1-CD2 3.36Å; F313-Y364 PolarHBondContact O-OH 2.85Å; V320-Y364 HydrophobicContact CG1-CE1 3.93Å; V320-Y364 VanDerWaalsContact CG1-OH 3.26Å; V320-Y364 WeakPolarHBondContact CG1-OH 3.48Å; L324-Y364 HydrophobicContact CD2-CE1 4.06Å; C360-Y364 HydrophobicContact CB-CD1 4.11Å; C360-Y364 HydrophobicContact CB-CG 3.85Å; S361-Y364 WeakPolarHBondContact O-CB 3.19Å; S361-Y364 PolarHBondContact O-N 3.45Å; S361-Y364 PolarHBondContact OG-N 3.23Å; Y364-T366 PolarHBondContact O-N 2.96Å; Y364-K391 PolarHBondContact O-NZ 3.36Å
365	P	87.8	Confident	92.5	Very high	42 Å²	42	60.8 Å²	60.8	27%	0.273	28%	0.283	S	S	.	.			trans	-63.5	126.4	176	-22.1	33.1	0	0	0	112.5	I316	I316-P365 HydrophobicContact CG2-CG 4.05Å
366	T	90.5	Very high	92.5	Very high	54 Å²	54	58.7 Å²	58.7	33%	0.331	28%	0.276	S	S	.	.			trans	-114.7	145.3	177.1	59.8	0	0	0	0	110.5	Y364 F389	Y364-T366 PolarHBondContact O-N 2.96Å; T366-F389 HydrophobicContact CG2-CB 4.19Å; T366-F389 HydrophobicContact CG2-CD1 3.55Å; T366-F389 HydrophobicContact CG2-CD2 4.26Å; T366-F389 HydrophobicContact CG2-CE1 3.91Å; T366-F389 HydrophobicContact CG2-CG 3.73Å; T366-F389 HydrophobicContact CG2-CZ 4.42Å
367	F	92.2	Very high	92.4	Very high	9 Å²	9	65.5 Å²	65.5	4%	0.039	31%	0.307	C	S	.	.			trans	-95.8	168	173.3	56.3	-96.4	0	0	0	112.5	E321 L324 Q325 I358 A369 F372 I387 F389	E321-F367 HydrophobicContact CG-CB 3.74Å; E321-F367 HydrophobicContact CG-CD1 4.4Å; E321-F367 WeakPolarHBondContact OE1-CA 3.18Å; E321-F367 WeakPolarHBondContact OE1-CB 3.34Å; L324-F367 HydrophobicContact CD2-CD1 4.28Å; L324-F367 HydrophobicContact CD2-CE1 3.89Å; L324-F367 HydrophobicContact CG-CE1 3.98Å; Q325-F367 HydrophobicContact CG-CB 4.06Å; Q325-F367 HydrophobicContact CG-CD1 3.41Å; Q325-F367 VanDerWaalsContact CG-CD1 3.41Å; Q325-F367 HydrophobicContact CG-CD2 4.01Å; Q325-F367 HydrophobicContact CG-CE1 3.71Å; Q325-F367 HydrophobicContact CG-CE2 4.28Å; Q325-F367 HydrophobicContact CG-CG 3.56Å; Q325-F367 HydrophobicContact CG-CZ 4.14Å; Q325-F367 VanDerWaalsContact NE2-CB 3.29Å; I358-F367 HydrophobicContact CD1-CZ 4.45Å; F367-A369 PolarHBondContact O-N 3.26Å; F367-F372 HydrophobicContact CD2-CB 3.79Å; F367-F372 HydrophobicContact CD2-CD2 4.29Å; F367-F372 HydrophobicContact CD2-CG 4.1Å; F367-F372 HydrophobicContact CE2-CB 3.6Å; F367-F372 AromaticContact CE2-CD1 3.92Å; F367-F372 HydrophobicContact CE2-CD1 3.92Å; F367-F372 AromaticContact CE2-CD2 3.78Å; F367-F372 HydrophobicContact CE2-CD2 3.78Å; F367-F372 HydrophobicContact CE2-CE2 4.45Å; F367-F372 AromaticContact CE2-CG 3.48Å; F367-F372 HydrophobicContact CE2-CG 3.48Å; F367-F372 VanDerWaalsContact CE2-CG 3.48Å; F367-F372 HydrophobicContact CZ-CD1 4.49Å; F367-F372 HydrophobicContact CZ-CD2 4.27Å; F367-F372 HydrophobicContact CZ-CG 4.25Å; F367-I387 HydrophobicContact CE2-CG1 4.2Å; F367-I387 HydrophobicContact CE2-CG2 4.44Å; F367-I387 HydrophobicContact CZ-CG1 4.43Å; F367-I387 HydrophobicContact CZ-CG2 4.42Å; F367-F389 AromaticContact CD1-CZ 3.83Å; F367-F389 HydrophobicContact CD1-CZ 3.83Å; F367-F389 HydrophobicContact CD2-CE2 4.41Å; F367-F389 HydrophobicContact CD2-CZ 4.2Å; F367-F389 HydrophobicContact CE1-CE1 4.38Å; F367-F389 AromaticContact CE1-CZ 3.7Å; F367-F389 HydrophobicContact CE1-CZ 3.7Å; F367-F389 HydrophobicContact CE2-CE2 4.39Å; F367-F389 HydrophobicContact CE2-CZ 4.06Å; F367-F389 HydrophobicContact CG-CZ 4.08Å; F367-F389 AromaticContact CZ-CZ 3.82Å; F367-F389 HydrophobicContact CZ-CZ 3.82Å; F367-F389 VanDerWaalsContact O-CE2 3.3Å; F367-F389 WeakPolarHBondContact O-CE2 3.49Å
368	N	93.9	Very high	92.3	Very high	102 Å²	102	65.1 Å²	65.1	55%	0.545	32%	0.324	S	S	.	.			trans	-70.6	104.2	175.9	-172.6	-55.9	0	0	0	111.2	K370 R371 F372	N368-K370 VanDerWaalsContact C-N 3.34Å; N368-K370 PolarHBondContact O-N 3.48Å; N368-K370 PolarHBondContact OD1-N 3.19Å; N368-K370 VanDerWaalsContact OD1-N 3.14Å; N368-R371 HydrophobicContact CB-CB 4.01Å; N368-R371 PolarHBondContact O-N 3.25Å; N368-R371 PolarHBondContact OD1-N 3.47Å; N368-F372 WeakPolarHBondContact O-CB 3.27Å; N368-F372 PolarHBondContact O-N 3.35Å
369	A	93.1	Very high	92.4	Very high	23 Å²	23	71.7 Å²	71.7	19%	0.19	35%	0.349	C	S	.	.	H	α-helix	trans	-55.3	-42.1	-178.8	0	0	0	0	0	113.8	F367 F372 G373 I387 F389	F367-A369 PolarHBondContact O-N 3.26Å; A369-F372 PolarHBondContact O-N 3.05Å; A369-G373 PolarHBondContact O-N 2.84Å; A369-I387 HydrophobicContact CB-CB 3.87Å; A369-I387 HydrophobicContact CB-CG2 4.33Å; A369-F389 HydrophobicContact CB-CE2 4.43Å
370	K	92.8	Very high	92.6	Very high	125 Å²	125	66.6 Å²	66.6	54%	0.543	33%	0.33	S	S	.	.	H	α-helix	trans	-68	-46.8	-179.3	-66.2	-173.3	172.7	-166.4	0	111.8	N368 F372 G373 R374 E384	N368-K370 VanDerWaalsContact C-N 3.34Å; N368-K370 PolarHBondContact O-N 3.48Å; N368-K370 PolarHBondContact OD1-N 3.19Å; N368-K370 VanDerWaalsContact OD1-N 3.14Å; K370-F372 VanDerWaalsContact C-N 3.26Å; K370-F372 PolarHBondContact O-N 3.5Å; K370-G373 PolarHBondContact O-N 3.44Å; K370-G373 VanDerWaalsContact O-N 3.14Å; K370-R374 PolarHBondContact O-N 3.45Å; K370-R374 VanDerWaalsContact O-N 3.13Å; K370-E384 WeakPolarHBondContact CD-OE2 3.47Å; K370-E384 WeakPolarHBondContact CG-OE2 3.27Å
371	R	94.6	Very high	92.9	Very high	199 Å²	199	66.6 Å²	66.6	75%	0.751	33%	0.331	S	S	*	.	H	α-helix	trans	-60.7	-38.8	176.9	-173.5	-179.5	-179.9	-173.5	0.7	111.3	N368	N368-R371 HydrophobicContact CB-CB 4.01Å; N368-R371 PolarHBondContact O-N 3.25Å; N368-R371 PolarHBondContact OD1-N 3.47Å
372	F	96	Very high	93.3	Very high	4 Å²	4	65.8 Å²	65.8	2%	0.018	32%	0.324	C	S	.	.	H	α-helix	trans	-65.2	-45.2	174	179.8	-91.8	0	0	0	111.5	Q325 C328 E329 I332 F367 N368 A369 K370 R374 R375 F376 L386 I387	Q325-F372 HydrophobicContact CB-CD2 4.32Å; Q325-F372 HydrophobicContact CB-CE2 4.12Å; Q325-F372 HydrophobicContact CG-CD2 4.12Å; Q325-F372 HydrophobicContact CG-CE2 4.38Å; Q325-F372 WeakPolarHBondContact O-CE2 3.36Å; C328-F372 HydrophobicContact CB-CE1 4.32Å; C328-F372 HydrophobicContact CB-CE2 4.47Å; C328-F372 HydrophobicContact CB-CZ 3.78Å; E329-F372 HydrophobicContact CB-CE2 4.29Å; E329-F372 HydrophobicContact CB-CZ 4.11Å; I332-F372 HydrophobicContact CD1-CE1 3.48Å; I332-F372 VanDerWaalsContact CD1-CE1 3.48Å; I332-F372 HydrophobicContact CD1-CZ 3.92Å; F367-F372 HydrophobicContact CD2-CB 3.79Å; F367-F372 HydrophobicContact CD2-CD2 4.29Å; F367-F372 HydrophobicContact CD2-CG 4.1Å; F367-F372 HydrophobicContact CE2-CB 3.6Å; F367-F372 AromaticContact CE2-CD1 3.92Å; F367-F372 HydrophobicContact CE2-CD1 3.92Å; F367-F372 AromaticContact CE2-CD2 3.78Å; F367-F372 HydrophobicContact CE2-CD2 3.78Å; F367-F372 HydrophobicContact CE2-CE2 4.45Å; F367-F372 AromaticContact CE2-CG 3.48Å; F367-F372 HydrophobicContact CE2-CG 3.48Å; F367-F372 VanDerWaalsContact CE2-CG 3.48Å; F367-F372 HydrophobicContact CZ-CD1 4.49Å; F367-F372 HydrophobicContact CZ-CD2 4.27Å; F367-F372 HydrophobicContact CZ-CG 4.25Å; N368-F372 WeakPolarHBondContact O-CB 3.27Å; N368-F372 PolarHBondContact O-N 3.35Å; A369-F372 PolarHBondContact O-N 3.05Å; K370-F372 VanDerWaalsContact C-N 3.26Å; K370-F372 PolarHBondContact O-N 3.5Å; F372-R374 VanDerWaalsContact C-N 3.28Å; F372-R374 PolarHBondContact O-N 2.94Å; F372-R375 WeakPolarHBondContact O-CB 3.29Å; F372-R375 WeakPolarHBondContact O-CG 3.45Å; F372-R375 PolarHBondContact O-N 3.46Å; F372-R375 VanDerWaalsContact O-N 3.1Å; F372-F376 HydrophobicContact CD1-CE2 4.33Å; F372-F376 HydrophobicContact CE1-CD2 4.42Å; F372-F376 AromaticContact CE1-CE2 3.67Å; F372-F376 HydrophobicContact CE1-CE2 3.67Å; F372-F376 AromaticContact CZ-CE2 3.81Å; F372-F376 HydrophobicContact CZ-CE2 3.81Å; F372-F376 HydrophobicContact CZ-CZ 4.37Å; F372-L386 HydrophobicContact CD1-CD2 4.27Å; F372-L386 HydrophobicContact CE1-CD2 4.1Å; F372-I387 HydrophobicContact CD1-CD1 4.17Å; F372-I387 HydrophobicContact CD1-CG1 3.7Å; F372-I387 HydrophobicContact CE1-CD1 3.93Å; F372-I387 HydrophobicContact CE1-CG1 4Å
373	G	96	Very high	93.8	Very high	0 Å²	0	64.3 Å²	64.3	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-56.2	-35.5	178	0	0	0	0	0	114.8	A369 K370 R375 F376 P383	A369-G373 PolarHBondContact O-N 2.84Å; K370-G373 PolarHBondContact O-N 3.44Å; K370-G373 VanDerWaalsContact O-N 3.14Å; G373-R375 PolarHBondContact O-N 3.33Å; G373-R375 VanDerWaalsContact O-N 3.09Å; G373-F376 PolarHBondContact O-N 3.37Å; G373-P383 VanDerWaalsContact CA-O 3.27Å; G373-P383 WeakPolarHBondContact CA-O 3.24Å; G373-P383 WeakPolarHBondContact O-CB 3.5Å
374	R	95.1	Very high	94.2	Very high	166 Å²	166	62.3 Å²	62.3	63%	0.626	30%	0.296	S	S	*	.	G	3₁₀ helix	trans	-56.3	-25	175.9	-69	-176.1	-174.9	-165.9	-0.3	114.1	K370 F372 F376 E377	K370-R374 PolarHBondContact O-N 3.45Å; K370-R374 VanDerWaalsContact O-N 3.13Å; F372-R374 VanDerWaalsContact C-N 3.28Å; F372-R374 PolarHBondContact O-N 2.94Å; R374-F376 PolarHBondContact O-N 3.46Å; R374-E377 WeakPolarHBondContact O-CB 3.42Å; R374-E377 PolarHBondContact O-N 3.35Å
375	R	95.9	Very high	94.5	Very high	118 Å²	118	66.3 Å²	66.3	45%	0.445	32%	0.318	S	S	.	.	G	3₁₀ helix	trans	-64.1	-21.7	175.3	-61.3	-176.6	-174	171	9.9	112.9	E329 F372 G373	E329-R375 IonicContact OE2-NH1 2.88Å; E329-R375 PolarHBondContact OE2-NH1 2.85Å; F372-R375 WeakPolarHBondContact O-CB 3.29Å; F372-R375 WeakPolarHBondContact O-CG 3.45Å; F372-R375 PolarHBondContact O-N 3.46Å; F372-R375 VanDerWaalsContact O-N 3.1Å; G373-R375 PolarHBondContact O-N 3.33Å; G373-R375 VanDerWaalsContact O-N 3.09Å
376	F	96.9	Very high	94.9	Very high	1 Å²	1	64.3 Å²	64.3	0%	0.004	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-109.3	13.6	-177.8	-57.3	-83.8	0	0	0	112.7	E329 I332 H333 I336 F372 G373 R374 G378 R379 I380 L386	E329-F376 HydrophobicContact CB-CZ 4.22Å; E329-F376 HydrophobicContact CG-CZ 3.96Å; I332-F376 HydrophobicContact CB-CE1 3.93Å; I332-F376 HydrophobicContact CB-CZ 3.93Å; I332-F376 HydrophobicContact CD1-CE2 3.92Å; I332-F376 HydrophobicContact CD1-CZ 4.02Å; I332-F376 HydrophobicContact CG2-CD1 3.56Å; I332-F376 HydrophobicContact CG2-CD2 4.42Å; I332-F376 HydrophobicContact CG2-CE1 3.38Å; I332-F376 HydrophobicContact CG2-CE2 4.28Å; I332-F376 HydrophobicContact CG2-CG 4.09Å; I332-F376 HydrophobicContact CG2-CZ 3.76Å; H333-F376 AromaticContact CE1-CE1 3.75Å; H333-F376 AromaticContact NE2-CE1 3.84Å; I336-F376 HydrophobicContact CD1-CD1 3.9Å; I336-F376 HydrophobicContact CD1-CE1 4.42Å; F372-F376 HydrophobicContact CD1-CE2 4.33Å; F372-F376 HydrophobicContact CE1-CD2 4.42Å; F372-F376 AromaticContact CE1-CE2 3.67Å; F372-F376 HydrophobicContact CE1-CE2 3.67Å; F372-F376 AromaticContact CZ-CE2 3.81Å; F372-F376 HydrophobicContact CZ-CE2 3.81Å; F372-F376 HydrophobicContact CZ-CZ 4.37Å; G373-F376 PolarHBondContact O-N 3.37Å; R374-F376 PolarHBondContact O-N 3.46Å; F376-G378 PolarHBondContact O-N 2.87Å; F376-R379 WeakPolarHBondContact O-CB 3.21Å; F376-R379 PolarHBondContact O-N 3.44Å; F376-I380 HydrophobicContact CB-CD1 3.93Å; F376-I380 HydrophobicContact CB-CG1 3.94Å; F376-I380 PolarHBondContact O-N 3.46Å; F376-L386 HydrophobicContact CB-CD2 4.44Å; F376-L386 HydrophobicContact CD2-CD2 3.52Å; F376-L386 HydrophobicContact CE2-CD2 4.04Å; F376-L386 HydrophobicContact CG-CD2 4.15Å
377	E	94.7	Very high	95.2	Very high	143 Å²	143	62.2 Å²	62.2	67%	0.668	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	134.7	172.7	-168.4	167.6	-162.5	0	0	110.4	R374 R379	R374-E377 WeakPolarHBondContact O-CB 3.42Å; R374-E377 PolarHBondContact O-N 3.35Å; E377-R379 PolarHBondContact O-N 3.31Å
378	G	95.2	Very high	95.3	Very high	58 Å²	58	63.2 Å²	63.2	60%	0.598	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.3	3	-173.2	0	0	0	0	0	115.4	L351 F376	L351-G378 WeakPolarHBondContact CD2-O 3.49Å; F376-G378 PolarHBondContact O-N 2.87Å
379	R	96.6	Very high	95.3	Very high	137 Å²	137	60.8 Å²	60.8	52%	0.517	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.5	-22.8	175.6	-56.8	-173	-177.1	-156.1	3.4	113.7	I336 F376 E377	I336-R379 HydrophobicContact CD1-CB 4.23Å; F376-R379 WeakPolarHBondContact O-CB 3.21Å; F376-R379 PolarHBondContact O-N 3.44Å; E377-R379 PolarHBondContact O-N 3.31Å
380	I	97.6	Very high	95.2	Very high	3 Å²	3	62.7 Å²	62.7	2%	0.015	29%	0.294	C	S	.	.	S	Bend	trans	-135.3	159.4	174.9	60.8	173.7	0	0	0	109.9	I336 P352 V354 F376 P383 L386	I336-I380 HydrophobicContact CD1-CG2 3.71Å; I336-I380 HydrophobicContact CG1-CG2 3.74Å; P352-I380 HydrophobicContact CG-CG2 4.35Å; P352-I380 WeakPolarHBondContact O-CA 3.42Å; P352-I380 WeakPolarHBondContact O-CB 3.32Å; V354-I380 HydrophobicContact CG2-CG2 3.95Å; F376-I380 HydrophobicContact CB-CD1 3.93Å; F376-I380 HydrophobicContact CB-CG1 3.94Å; F376-I380 PolarHBondContact O-N 3.46Å; I380-P383 HydrophobicContact CD1-CB 4.48Å; I380-P383 HydrophobicContact CG1-CB 4.36Å; I380-L386 HydrophobicContact CD1-CB 4.21Å; I380-L386 HydrophobicContact CD1-CD1 3.65Å; I380-L386 HydrophobicContact CD1-CD2 3.85Å; I380-L386 HydrophobicContact CD1-CG 4.11Å
381	A	97.2	Very high	94.9	Very high	6 Å²	6	61.1 Å²	61.1	5%	0.05	29%	0.287	C	S	.	.	S	Bend	trans	-83.3	-7.7	-177.9	0	0	0	0	0	114.1	V32 R33 L351 P352 L353	V32-A381 HydrophobicContact CG1-CB 3.74Å; R33-A381 HydrophobicContact CG-CB 4.15Å; L351-A381 HydrophobicContact CB-CB 4.24Å; P352-A381 PolarHBondContact O-N 2.89Å; L353-A381 HydrophobicContact CD2-CB 3.77Å; L353-A381 HydrophobicContact CG-CB 4.38Å
382	N	96.5	Very high	94.3	Very high	9 Å²	9	55 Å²	55	5%	0.048	27%	0.274	C	S	.	.			trans	-138	51.7	-175.3	66.6	-43.6	0	0	0	114.6	L269 L353 V354 E384 N385 L386	L269-N382 HydrophobicContact CD1-CB 4.37Å; L269-N382 WeakPolarHBondContact CD1-ND2 3.5Å; L353-N382 WeakPolarHBondContact CA-OD1 3.19Å; L353-N382 HydrophobicContact CD2-CB 3.64Å; V354-N382 PolarHBondContact N-OD1 2.9Å; V354-N382 PolarHBondContact O-ND2 3Å; V354-N382 PolarHBondContact O-OD1 3.27Å; N382-E384 VanDerWaalsContact C-N 3.33Å; N382-E384 PolarHBondContact O-N 2.79Å; N382-N385 CarbonylContact O-C 3.57Å; N382-N385 PolarHBondContact O-N 3.31Å; N382-N385 VanDerWaalsContact O-N 3.07Å; N382-L386 PolarHBondContact O-N 3.39Å
383	P	95.8	Very high	92.9	Very high	26 Å²	26	65.9 Å²	65.9	17%	0.169	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-57.2	-40.5	-174.5	23.9	-33.8	0	0	0	113.9	G373 I380 N385 L386	G373-P383 VanDerWaalsContact CA-O 3.27Å; G373-P383 WeakPolarHBondContact CA-O 3.24Å; G373-P383 WeakPolarHBondContact O-CB 3.5Å; I380-P383 HydrophobicContact CD1-CB 4.48Å; I380-P383 HydrophobicContact CG1-CB 4.36Å; P383-N385 PolarHBondContact O-N 3.21Å; P383-L386 WeakPolarHBondContact O-CB 3.33Å; P383-L386 PolarHBondContact O-N 3.14Å
384	E	92.7	Very high	90.9	Very high	80 Å²	80	70.2 Å²	70.2	37%	0.374	35%	0.351	S	S	.	.	G	3₁₀ helix	trans	-65.5	-23.9	-179.7	-70.7	-65.5	140.3	0	0	113.8	K370 N382	K370-E384 WeakPolarHBondContact CD-OE2 3.47Å; K370-E384 WeakPolarHBondContact CG-OE2 3.27Å; N382-E384 VanDerWaalsContact C-N 3.33Å; N382-E384 PolarHBondContact O-N 2.79Å
385	N	93.3	Very high	88.4	Confident	88 Å²	88	71.3 Å²	71.3	47%	0.471	36%	0.363	S	S	.	.	G	3₁₀ helix	trans	-118.2	29.6	-176.4	-67.4	-54.3	0	0	0	112	L269 R355 N382 P383	L269-N385 HydrophobicContact CD1-CB 3.43Å; L269-N385 VanDerWaalsContact CD1-CB 3.43Å; R355-N385 WeakPolarHBondContact CD-O 3.14Å; R355-N385 PolarHBondContact NH1-O 3.47Å; N382-N385 CarbonylContact O-C 3.57Å; N382-N385 PolarHBondContact O-N 3.31Å; N382-N385 VanDerWaalsContact O-N 3.07Å; P383-N385 PolarHBondContact O-N 3.21Å
386	L	96.1	Very high	85.9	Confident	0 Å²	0	72.1 Å²	72.1	0%	0	37%	0.366	C	S	.	.	S	Bend	trans	-71	-43.8	-178.6	179.3	56.7	0	0	0	113.5	I332 V354 R355 L356 F372 F376 I380 N382 P383	I332-L386 HydrophobicContact CD1-CD1 4.11Å; I332-L386 HydrophobicContact CD1-CD2 3.6Å; I332-L386 HydrophobicContact CD1-CG 3.97Å; I332-L386 HydrophobicContact CG1-CD1 4.25Å; I332-L386 HydrophobicContact CG1-CD2 4.47Å; V354-L386 HydrophobicContact CB-CD1 3.7Å; V354-L386 HydrophobicContact CG1-CD1 3.61Å; V354-L386 WeakPolarHBondContact O-CD1 3.28Å; R355-L386 CarbonylContact C-O 3.57Å; R355-L386 WeakPolarHBondContact CA-O 3.46Å; L356-L386 PolarHBondContact N-O 3.05Å; F372-L386 HydrophobicContact CD1-CD2 4.27Å; F372-L386 HydrophobicContact CE1-CD2 4.1Å; F376-L386 HydrophobicContact CB-CD2 4.44Å; F376-L386 HydrophobicContact CD2-CD2 3.52Å; F376-L386 HydrophobicContact CE2-CD2 4.04Å; F376-L386 HydrophobicContact CG-CD2 4.15Å; I380-L386 HydrophobicContact CD1-CB 4.21Å; I380-L386 HydrophobicContact CD1-CD1 3.65Å; I380-L386 HydrophobicContact CD1-CD2 3.85Å; I380-L386 HydrophobicContact CD1-CG 4.11Å; N382-L386 PolarHBondContact O-N 3.39Å; P383-L386 WeakPolarHBondContact O-CB 3.33Å; P383-L386 PolarHBondContact O-N 3.14Å
387	I	96.2	Very high	83.5	Confident	10 Å²	10	76 Å²	76	5%	0.051	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	135.9	-174.1	-54.8	-61.1	0	0	0	111.2	I332 L356 I358 F367 A369 F372 F389	I332-I387 HydrophobicContact CD1-CD1 4.25Å; L356-I387 HydrophobicContact CB-CD1 3.71Å; L356-I387 HydrophobicContact CD1-CD1 3.74Å; L356-I387 HydrophobicContact CG-CD1 4Å; L356-I387 CarbonylContact O-C 3.59Å; L356-I387 WeakPolarHBondContact O-CA 3.24Å; I358-I387 HydrophobicContact CD1-CG2 3.71Å; I358-I387 HydrophobicContact CG1-CG2 4.36Å; F367-I387 HydrophobicContact CE2-CG1 4.2Å; F367-I387 HydrophobicContact CE2-CG2 4.44Å; F367-I387 HydrophobicContact CZ-CG1 4.43Å; F367-I387 HydrophobicContact CZ-CG2 4.42Å; A369-I387 HydrophobicContact CB-CB 3.87Å; A369-I387 HydrophobicContact CB-CG2 4.33Å; F372-I387 HydrophobicContact CD1-CD1 4.17Å; F372-I387 HydrophobicContact CD1-CG1 3.7Å; F372-I387 HydrophobicContact CE1-CD1 3.93Å; F372-I387 HydrophobicContact CE1-CG1 4Å; I387-F389 HydrophobicContact CG2-CD2 4.04Å; I387-F389 HydrophobicContact CG2-CE1 4.44Å; I387-F389 HydrophobicContact CG2-CE2 3.61Å; I387-F389 HydrophobicContact CG2-CZ 3.84Å
388	S	94.2	Very high	81.3	Confident	30 Å²	30	75 Å²	75	21%	0.21	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	110.2	173.5	-164.9	0	0	0	0	110.8	R355 L356 R357 I358	R355-S388 VanDerWaalsContact NH2-CB 3.27Å; R355-S388 PolarHBondContact NH2-OG 3.09Å; R355-S388 VanDerWaalsContact NH2-OG 3.12Å; L356-S388 PolarHBondContact O-N 2.76Å; R357-S388 CarbonylContact C-O 3.54Å; R357-S388 WeakPolarHBondContact CA-O 3.28Å; I358-S388 PolarHBondContact N-O 2.7Å
389	F	93.8	Very high	79.2	Confident	51 Å²	51	77 Å²	77	22%	0.224	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	125.2	172.1	-67.8	-77.5	0	0	0	110.7	L324 I358 T366 F367 A369 I387	L324-F389 HydrophobicContact CD2-CE1 4.24Å; I358-F389 HydrophobicContact CB-CD1 3.91Å; I358-F389 HydrophobicContact CB-CE1 4.09Å; I358-F389 HydrophobicContact CD1-CD1 4.36Å; I358-F389 HydrophobicContact CD1-CE1 3.73Å; I358-F389 HydrophobicContact CD1-CZ 4.11Å; I358-F389 HydrophobicContact CG1-CE1 4.49Å; I358-F389 HydrophobicContact CG2-CD1 4.08Å; I358-F389 HydrophobicContact CG2-CE1 4.08Å; I358-F389 WeakPolarHBondContact O-CA 3.45Å; T366-F389 HydrophobicContact CG2-CB 4.19Å; T366-F389 HydrophobicContact CG2-CD1 3.55Å; T366-F389 HydrophobicContact CG2-CD2 4.26Å; T366-F389 HydrophobicContact CG2-CE1 3.91Å; T366-F389 HydrophobicContact CG2-CG 3.73Å; T366-F389 HydrophobicContact CG2-CZ 4.42Å; F367-F389 AromaticContact CD1-CZ 3.83Å; F367-F389 HydrophobicContact CD1-CZ 3.83Å; F367-F389 HydrophobicContact CD2-CE2 4.41Å; F367-F389 HydrophobicContact CD2-CZ 4.2Å; F367-F389 HydrophobicContact CE1-CE1 4.38Å; F367-F389 AromaticContact CE1-CZ 3.7Å; F367-F389 HydrophobicContact CE1-CZ 3.7Å; F367-F389 HydrophobicContact CE2-CE2 4.39Å; F367-F389 HydrophobicContact CE2-CZ 4.06Å; F367-F389 HydrophobicContact CG-CZ 4.08Å; F367-F389 AromaticContact CZ-CZ 3.82Å; F367-F389 HydrophobicContact CZ-CZ 3.82Å; F367-F389 VanDerWaalsContact O-CE2 3.3Å; F367-F389 WeakPolarHBondContact O-CE2 3.49Å; A369-F389 HydrophobicContact CB-CE2 4.43Å; I387-F389 HydrophobicContact CG2-CD2 4.04Å; I387-F389 HydrophobicContact CG2-CE1 4.44Å; I387-F389 HydrophobicContact CG2-CE2 3.61Å; I387-F389 HydrophobicContact CG2-CZ 3.84Å
390	V	91.6	Very high	76.9	Confident	63 Å²	63	77.6 Å²	77.6	38%	0.382	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	102.8	174.2	178.9	0	0	0	0	108	R357 I358 R359 C360	R357-V390 HydrophobicContact CG-CG2 3.71Å; I358-V390 PolarHBondContact O-N 3.47Å; R359-V390 WeakPolarHBondContact CA-O 3.19Å; R359-V390 HydrophobicContact CG-CB 4.4Å; C360-V390 PolarHBondContact N-O 3.02Å
391	K	87.8	Confident	74.6	Confident	92 Å²	92	83.9 Å²	83.9	40%	0.4	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	133.4	178.3	-71.3	-171.8	167.9	-149.4	0	111	C360 A362 Y364 R393	C360-K391 CarbonylContact O-C 3.43Å; C360-K391 VanDerWaalsContact O-CA 3.23Å; C360-K391 WeakPolarHBondContact O-CA 3.15Å; A362-K391 PolarHBondContact O-NZ 2.94Å; Y364-K391 PolarHBondContact O-NZ 3.36Å; K391-R393 PolarHBondContact O-N 3.06Å
392	S	80.8	Confident	72.5	Confident	69 Å²	69	88.9 Å²	88.9	48%	0.483	46%	0.456	S	S	.	.	P	Polyproline II helix	trans	-61.4	129.7	169.5	70.4	0	0	0	0	108.8	C360 S361	C360-S392 PolarHBondContact O-N 2.92Å; S361-S392 WeakPolarHBondContact CA-OG 3.47Å
393	R	66.5	Low	70.4	Confident	233 Å²	233	96.2 Å²	96.2	88%	0.879	48%	0.483	S	S	*	.	P	Polyproline II helix	trans	-81	136.1	165.9	-71.1	-179.2	178.6	173.7	-0.1	106.5	K391 Q395	K391-R393 PolarHBondContact O-N 3.06Å; R393-Q395 PolarHBondContact O-N 2.91Å
394	A	53.9	Low	68.4	Low	92 Å²	92	100.5 Å²	100.5	76%	0.76	50%	0.504	S	S	*	.	P	Polyproline II helix	trans	-50.1	119.2	163.2	0	0	0	0	0	107.2	R396	A394-R396 VanDerWaalsContact C-N 3.35Å; A394-R396 PolarHBondContact O-N 2.82Å
395	Q	44	Very low	66.6	Low	189 Å²	189	99.3 Å²	99.3	88%	0.883	51%	0.508	S	S	*	.			trans	-58.3	98.4	179.9	-77.5	-178.2	-19.3	0	0	108.3	R393 S397	R393-Q395 PolarHBondContact O-N 2.91Å; Q395-S397 VanDerWaalsContact C-N 3.29Å; Q395-S397 PolarHBondContact O-N 2.6Å
396	R	42.4	Very low	64.7	Low	134 Å²	134	99.1 Å²	99.1	51%	0.506	51%	0.506	S	S	.	.			trans	-80.4	92	154.5	-75.5	-171.9	-177.8	178.1	3.8	105.3	A394 D398 I399 S435	A394-R396 VanDerWaalsContact C-N 3.35Å; A394-R396 PolarHBondContact O-N 2.82Å; R396-D398 PolarHBondContact O-N 3.08Å; R396-D398 VanDerWaalsContact O-N 3.07Å; R396-I399 HydrophobicContact CB-CD1 3.77Å; R396-I399 HydrophobicContact CB-CG1 3.94Å; R396-I399 HydrophobicContact CG-CD1 4.46Å; R396-I399 PolarHBondContact O-N 2.91Å; R396-I399 VanDerWaalsContact O-N 3.16Å; R396-S435 PolarHBondContact NH1-OG 3.19Å
397	S	46.7	Very low	62.9	Low	82 Å²	82	102.7 Å²	102.7	57%	0.573	52%	0.522	S	S	*	.	H	α-helix	trans	-45.6	-32.7	174	45.8	0	0	0	0	112.6	Q395 I399	Q395-S397 VanDerWaalsContact C-N 3.29Å; Q395-S397 PolarHBondContact O-N 2.6Å; S397-I399 VanDerWaalsContact C-N 3.34Å; S397-I399 PolarHBondContact O-N 2.77Å
398	D	48.8	Very low	61	Low	122 Å²	122	104.8 Å²	104.8	65%	0.652	54%	0.538	S	S	*	.	H	α-helix	trans	-68.1	-29.3	-175	-60.2	-17.1	0	0	0	113.3	R396 Q400 D402	R396-D398 PolarHBondContact O-N 3.08Å; R396-D398 VanDerWaalsContact O-N 3.07Å; D398-Q400 PolarHBondContact O-N 2.95Å; D398-D402 WeakPolarHBondContact O-CB 3.34Å; D398-D402 PolarHBondContact O-N 2.82Å
399	I	51.2	Low	59.1	Low	101 Å²	101	105.6 Å²	105.6	52%	0.518	55%	0.546	S	S	.	.	H	α-helix	trans	-73.7	-30.2	-174.6	-59.1	177.1	0	0	0	112	R396 S397 R403	R396-I399 HydrophobicContact CB-CD1 3.77Å; R396-I399 HydrophobicContact CB-CG1 3.94Å; R396-I399 HydrophobicContact CG-CD1 4.46Å; R396-I399 PolarHBondContact O-N 2.91Å; R396-I399 VanDerWaalsContact O-N 3.16Å; S397-I399 VanDerWaalsContact C-N 3.34Å; S397-I399 PolarHBondContact O-N 2.77Å; I399-R403 WeakPolarHBondContact O-CB 3.27Å; I399-R403 PolarHBondContact O-N 2.73Å
400	Q	47	Very low	57.2	Low	150 Å²	150	105.9 Å²	105.9	70%	0.701	55%	0.554	S	S	*	*	H	α-helix	trans	-78.2	-39.2	-173.9	-147	172.4	10.4	0	0	111.9	D398 R403 L404	D398-Q400 PolarHBondContact O-N 2.95Å; Q400-R403 PolarHBondContact O-N 2.99Å; Q400-L404 PolarHBondContact O-N 2.99Å
401	L	50	Low	55.3	Low	135 Å²	135	104 Å²	104	71%	0.707	55%	0.546	S	S	*	.	H	α-helix	trans	-63.5	-44.1	170.1	-94.6	149.2	0	0	0	111.3	R403 L404 A405	L401-R403 VanDerWaalsContact C-N 3.35Å; L401-R403 PolarHBondContact O-N 3.46Å; L401-L404 PolarHBondContact O-N 3.27Å; L401-A405 WeakPolarHBondContact O-CB 3.33Å; L401-A405 PolarHBondContact O-N 2.97Å
402	D	53.1	Low	53.5	Low	111 Å²	111	106.6 Å²	106.6	59%	0.594	56%	0.557	S	S	*	*	H	α-helix	trans	-63.6	-39.8	176.7	-115.4	2.1	0	0	0	111.7	D398 A405 M406	D398-D402 WeakPolarHBondContact O-CB 3.34Å; D398-D402 PolarHBondContact O-N 2.82Å; D402-A405 PolarHBondContact O-N 2.84Å; D402-M406 WeakPolarHBondContact O-CB 3.45Å; D402-M406 PolarHBondContact O-N 3.4Å
403	R	52.8	Low	51.8	Low	162 Å²	162	109.9 Å²	109.9	61%	0.611	56%	0.559	S	S	*	*	H	α-helix	trans	-61.9	-47.7	178.5	-174.5	176.3	179.9	169.1	2.5	112.3	I399 Q400 L401 M406 E407	I399-R403 WeakPolarHBondContact O-CB 3.27Å; I399-R403 PolarHBondContact O-N 2.73Å; Q400-R403 PolarHBondContact O-N 2.99Å; L401-R403 VanDerWaalsContact C-N 3.35Å; L401-R403 PolarHBondContact O-N 3.46Å; R403-M406 PolarHBondContact O-N 2.52Å; R403-E407 HydrophobicContact CG-CG 4.37Å; R403-E407 VanDerWaalsContact CG-OE1 3.29Å; R403-E407 WeakPolarHBondContact CG-OE1 3.32Å; R403-E407 IonicContact CZ-OE1 3.73Å; R403-E407 IonicContact NE-OE1 3.77Å; R403-E407 PolarHBondContact NE-OE1 3.2Å; R403-E407 IonicContact NH2-OE1 2.77Å; R403-E407 VanDerWaalsContact O-CB 3.27Å; R403-E407 WeakPolarHBondContact O-CB 3.47Å; R403-E407 VanDerWaalsContact O-CG 3.24Å; R403-E407 WeakPolarHBondContact O-CG 3.3Å; R403-E407 PolarHBondContact O-N 2.85Å
404	L	54.6	Low	51	Low	116 Å²	116	102.3 Å²	102.3	61%	0.607	55%	0.546	S	S	*	.	H	α-helix	trans	-66.5	-39.8	177.6	-73.5	169.3	0	0	0	112	Q400 L401 M406 S408	Q400-L404 PolarHBondContact O-N 2.99Å; L401-L404 PolarHBondContact O-N 3.27Å; L404-M406 VanDerWaalsContact C-N 3.35Å; L404-S408 WeakPolarHBondContact O-CB 3.39Å; L404-S408 PolarHBondContact O-N 3.26Å
405	A	54.6	Low	50.8	Low	56 Å²	56	104.7 Å²	104.7	46%	0.463	55%	0.545	S	S	.	.	H	α-helix	trans	-65.5	-39.1	175.4	0	0	0	0	0	111.6	L401 D402 A409	L401-A405 WeakPolarHBondContact O-CB 3.33Å; L401-A405 PolarHBondContact O-N 2.97Å; D402-A405 PolarHBondContact O-N 2.84Å; A405-A409 WeakPolarHBondContact O-CB 3.48Å; A405-A409 PolarHBondContact O-N 3.3Å
406	M	53.7	Low	50.9	Low	84 Å²	84	103 Å²	103	41%	0.414	54%	0.537	S	S	.	.	H	α-helix	trans	-74	-37.2	178	-151.6	178.7	75	0	0	111.8	D402 R403 L404 S410 Y428	D402-M406 WeakPolarHBondContact O-CB 3.45Å; D402-M406 PolarHBondContact O-N 3.4Å; R403-M406 PolarHBondContact O-N 2.52Å; L404-M406 VanDerWaalsContact C-N 3.35Å; M406-S410 WeakPolarHBondContact O-CB 3.42Å; M406-S410 PolarHBondContact O-N 3.43Å; M406-S410 PolarHBondContact O-OG 3.38Å; M406-Y428 HydrophobicContact SD-CD2 4.5Å
407	E	57.2	Low	50.8	Low	74 Å²	74	102.7 Å²	102.7	35%	0.346	55%	0.545	S	S	.	.	H	α-helix	trans	-66.4	-42.9	172.4	-77.1	171.5	-174.1	0	0	111	R403 S410 A411	R403-E407 HydrophobicContact CG-CG 4.37Å; R403-E407 VanDerWaalsContact CG-OE1 3.29Å; R403-E407 WeakPolarHBondContact CG-OE1 3.32Å; R403-E407 IonicContact CZ-OE1 3.73Å; R403-E407 IonicContact NE-OE1 3.77Å; R403-E407 PolarHBondContact NE-OE1 3.2Å; R403-E407 IonicContact NH2-OE1 2.77Å; R403-E407 VanDerWaalsContact O-CB 3.27Å; R403-E407 WeakPolarHBondContact O-CB 3.47Å; R403-E407 VanDerWaalsContact O-CG 3.24Å; R403-E407 WeakPolarHBondContact O-CG 3.3Å; R403-E407 PolarHBondContact O-N 2.85Å; E407-S410 WeakPolarHBondContact CA-OG 3.41Å; E407-S410 PolarHBondContact O-OG 3.38Å; E407-S410 VanDerWaalsContact O-OG 3.05Å; E407-A411 VanDerWaalsContact O-CB 3.23Å; E407-A411 WeakPolarHBondContact O-CB 3.39Å; E407-A411 PolarHBondContact O-N 2.88Å
408	S	56.7	Low	50.8	Low	54 Å²	54	107.9 Å²	107.9	38%	0.378	56%	0.56	S	S	.	*	H	α-helix	trans	-65.6	-42.7	173.7	-174.2	0	0	0	0	112.1	L404 K412	L404-S408 WeakPolarHBondContact O-CB 3.39Å; L404-S408 PolarHBondContact O-N 3.26Å; S408-K412 WeakPolarHBondContact O-CB 3.18Å; S408-K412 PolarHBondContact O-N 2.9Å
409	A	53.1	Low	51.2	Low	47 Å²	47	105 Å²	105	39%	0.388	55%	0.546	S	S	.	.	H	α-helix	trans	-69.8	-36.9	177.4	0	0	0	0	0	112.7	A405 R413	A405-A409 WeakPolarHBondContact O-CB 3.48Å; A405-A409 PolarHBondContact O-N 3.3Å; A409-R413 WeakPolarHBondContact O-CB 3.11Å; A409-R413 WeakPolarHBondContact O-CG 3.3Å; A409-R413 PolarHBondContact O-N 3.47Å
410	S	54.8	Low	51.7	Low	57 Å²	57	104.4 Å²	104.4	40%	0.399	54%	0.541	S	S	.	.	H	α-helix	trans	-73.4	-35.5	175.8	57.6	0	0	0	0	111.9	M406 E407 R413 A414	M406-S410 WeakPolarHBondContact O-CB 3.42Å; M406-S410 PolarHBondContact O-N 3.43Å; M406-S410 PolarHBondContact O-OG 3.38Å; E407-S410 WeakPolarHBondContact CA-OG 3.41Å; E407-S410 PolarHBondContact O-OG 3.38Å; E407-S410 VanDerWaalsContact O-OG 3.05Å; S410-R413 PolarHBondContact O-N 3.13Å; S410-A414 WeakPolarHBondContact O-CA 3.45Å; S410-A414 WeakPolarHBondContact O-CB 3.45Å; S410-A414 PolarHBondContact O-N 3.39Å
411	A	52.1	Low	52.6	Low	25 Å²	25	101.8 Å²	101.8	21%	0.207	53%	0.531	C	S	.	.	H	α-helix	trans	-65.2	-47.5	171.6	0	0	0	0	0	111.4	L222 E407 R413 A414 I415	L222-A411 HydrophobicContact CD1-CB 3.66Å; E407-A411 VanDerWaalsContact O-CB 3.23Å; E407-A411 WeakPolarHBondContact O-CB 3.39Å; E407-A411 PolarHBondContact O-N 2.88Å; A411-R413 PolarHBondContact O-N 3.23Å; A411-A414 PolarHBondContact O-N 3.43Å; A411-I415 VanDerWaalsContact O-CD1 3.3Å; A411-I415 WeakPolarHBondContact O-CD1 3.38Å; A411-I415 WeakPolarHBondContact O-CG1 3.44Å; A411-I415 PolarHBondContact O-N 2.89Å; A411-I415 VanDerWaalsContact O-N 3.12Å
412	K	49.4	Very low	53.2	Low	146 Å²	146	96.9 Å²	96.9	64%	0.635	50%	0.504	S	S	*	.	H	α-helix	trans	-61	-42.4	173.7	-76.6	-173.8	178.5	-176.5	0	112.2	S408 I415 E416	S408-K412 WeakPolarHBondContact O-CB 3.18Å; S408-K412 PolarHBondContact O-N 2.9Å; K412-I415 WeakPolarHBondContact O-CB 3.46Å; K412-I415 PolarHBondContact O-N 3.46Å; K412-E416 PolarHBondContact O-N 2.9Å
413	R	45.9	Very low	54	Low	138 Å²	138	94.5 Å²	94.5	52%	0.521	49%	0.492	S	S	.	.	H	α-helix	trans	-72.3	-35.7	178.4	-83.5	-178.8	173.2	179.8	-3.5	114	A409 S410 A411 I415 E416 L417 V419 D427	A409-R413 WeakPolarHBondContact O-CB 3.11Å; A409-R413 WeakPolarHBondContact O-CG 3.3Å; A409-R413 PolarHBondContact O-N 3.47Å; S410-R413 PolarHBondContact O-N 3.13Å; A411-R413 PolarHBondContact O-N 3.23Å; R413-I415 PolarHBondContact O-N 3.14Å; R413-E416 PolarHBondContact O-N 2.99Å; R413-L417 PolarHBondContact O-N 3.05Å; R413-V419 HydrophobicContact CB-CG2 4.19Å; R413-D427 IonicContact NH1-OD2 3.59Å
414	A	49.6	Very low	54.9	Low	74 Å²	74	90 Å²	90	61%	0.612	48%	0.482	S	S	*	.	H	α-helix	trans	-67.5	-25.4	175.2	0	0	0	0	0	111.7	S410 A411	S410-A414 WeakPolarHBondContact O-CA 3.45Å; S410-A414 WeakPolarHBondContact O-CB 3.45Å; S410-A414 PolarHBondContact O-N 3.39Å; A411-A414 PolarHBondContact O-N 3.43Å
415	I	49.1	Very low	55.6	Low	141 Å²	141	85.4 Å²	85.4	72%	0.723	46%	0.459	S	S	*	.	H	α-helix	trans	-74.1	-37.1	171.1	-68.8	164.2	0	0	0	111.3	A411 K412 R413	A411-I415 VanDerWaalsContact O-CD1 3.3Å; A411-I415 WeakPolarHBondContact O-CD1 3.38Å; A411-I415 WeakPolarHBondContact O-CG1 3.44Å; A411-I415 PolarHBondContact O-N 2.89Å; A411-I415 VanDerWaalsContact O-N 3.12Å; K412-I415 WeakPolarHBondContact O-CB 3.46Å; K412-I415 PolarHBondContact O-N 3.46Å; R413-I415 PolarHBondContact O-N 3.14Å
416	E	46.7	Very low	56.4	Low	155 Å²	155	86.2 Å²	86.2	72%	0.724	45%	0.452	S	S	*	.	H	α-helix	trans	-95.3	-28.7	-172.7	-75.3	177.9	167.2	0	0	115.3	K412 R413	K412-E416 PolarHBondContact O-N 2.9Å; R413-E416 PolarHBondContact O-N 2.99Å
417	L	40	Very low	57.1	Low	127 Å²	127	85 Å²	85	67%	0.665	45%	0.447	S	S	*	.	S	Bend	trans	-144.9	139.1	-178.1	-72.4	164.2	0	0	0	109.8	R413 V419	R413-L417 PolarHBondContact O-N 3.05Å; L417-V419 HydrophobicContact CB-CG2 4.29Å; L417-V419 WeakPolarHBondContact O-CG2 3.44Å; L417-V419 PolarHBondContact O-N 2.83Å
418	Q	47.6	Very low	57.9	Low	190 Å²	190	86.5 Å²	86.5	89%	0.888	45%	0.45	S	S	*	.			trans	-61.9	77.2	167.8	-74.8	179.7	-22	0	0	110.1	H420	Q418-H420 PolarHBondContact O-N 3.13Å
419	V	55.8	Low	58.5	Low	62 Å²	62	84.9 Å²	84.9	38%	0.376	44%	0.437	S	S	.	.			trans	-73.8	122	178	-177.4	0	0	0	0	108.1	R413 L417 D423 V424	R413-V419 HydrophobicContact CB-CG2 4.19Å; L417-V419 HydrophobicContact CB-CG2 4.29Å; L417-V419 WeakPolarHBondContact O-CG2 3.44Å; L417-V419 PolarHBondContact O-N 2.83Å; V419-D423 HydrophobicContact CG1-CB 4.01Å; V419-V424 HydrophobicContact CG1-CG2 4.25Å
420	H	61.6	Low	59.3	Low	89 Å²	89	89.4 Å²	89.4	41%	0.412	45%	0.448	S	S	.	.			trans	-68.4	139.1	174.4	-65.4	-48.8	0	0	0	109.7	Q418 E422 D423 V424 R455	Q418-H420 PolarHBondContact O-N 3.13Å; H420-E422 PolarHBondContact O-N 3.16Å; H420-D423 WeakPolarHBondContact O-CB 3.44Å; H420-D423 PolarHBondContact O-N 3.37Å; H420-V424 PolarHBondContact O-N 2.92Å; H420-R455 PolarHBondContact CE1-NH2 3.28Å; H420-R455 PolarHBondContact ND1-NH2 2.88Å; H420-R455 PolarHBondContact NE2-NH2 3.15Å
421	I	65.4	Low	60	Low	94 Å²	94	94.2 Å²	94.2	48%	0.482	46%	0.461	S	S	.	.	H	α-helix	trans	-55.7	-26.6	177.1	-166.2	164.9	0	0	0	112.5	D423 V424 V425 L450 A454	I421-D423 VanDerWaalsContact C-N 3.3Å; I421-D423 PolarHBondContact O-N 3.25Å; I421-V424 WeakPolarHBondContact O-CB 3.39Å; I421-V424 PolarHBondContact O-N 3.3Å; I421-V425 PolarHBondContact O-N 3.41Å; I421-L450 HydrophobicContact CB-CD2 4.01Å; I421-L450 HydrophobicContact CD1-CD2 3.65Å; I421-L450 HydrophobicContact CG1-CD2 3.53Å; I421-L450 HydrophobicContact CG2-CD2 3.37Å; I421-A454 HydrophobicContact CG2-CB 4.45Å
422	E	64.3	Low	60.7	Low	32 Å²	32	94 Å²	94	15%	0.15	46%	0.459	C	S	.	.	H	α-helix	trans	-61.5	-34.6	173.3	-62.9	166.2	-135.4	0	0	113.2	H420 K426 R447 R451	H420-E422 PolarHBondContact O-N 3.16Å; E422-K426 WeakPolarHBondContact O-CB 3.48Å; E422-K426 PolarHBondContact O-N 2.8Å; E422-R447 WeakPolarHBondContact O-CD 3.45Å; E422-R451 HydrophobicContact CG-CB 4.17Å; E422-R451 WeakPolarHBondContact OE1-CB 3.41Å; E422-R451 VanDerWaalsContact OE1-CD 3.26Å; E422-R451 WeakPolarHBondContact OE1-CD 3.48Å; E422-R451 WeakPolarHBondContact OE1-CG 3.43Å
423	D	69.4	Low	61.2	Low	61 Å²	61	91.9 Å²	91.9	33%	0.326	46%	0.455	S	S	.	.	H	α-helix	trans	-74.3	-33.8	177.8	-64.2	-44.8	0	0	0	110.9	V419 H420 I421 V425 K426 D427	V419-D423 HydrophobicContact CG1-CB 4.01Å; H420-D423 WeakPolarHBondContact O-CB 3.44Å; H420-D423 PolarHBondContact O-N 3.37Å; I421-D423 VanDerWaalsContact C-N 3.3Å; I421-D423 PolarHBondContact O-N 3.25Å; D423-V425 VanDerWaalsContact C-N 3.35Å; D423-K426 WeakPolarHBondContact O-CB 3.16Å; D423-K426 PolarHBondContact O-N 3.47Å; D423-D427 WeakPolarHBondContact O-CB 3.39Å; D423-D427 PolarHBondContact O-N 3.49Å
424	V	71.5	Confident	62.1	Low	67 Å²	67	89.8 Å²	89.8	41%	0.406	46%	0.461	S	S	.	.	H	α-helix	trans	-62.1	-44.5	172.9	-176.8	0	0	0	0	110.5	V419 H420 I421 D427 Y428	V419-V424 HydrophobicContact CG1-CG2 4.25Å; H420-V424 PolarHBondContact O-N 2.92Å; I421-V424 WeakPolarHBondContact O-CB 3.39Å; I421-V424 PolarHBondContact O-N 3.3Å; V424-D427 PolarHBondContact O-N 3.28Å; V424-Y428 WeakPolarHBondContact O-CB 3.46Å; V424-Y428 PolarHBondContact O-N 3.17Å
425	V	70.3	Confident	62.7	Low	21 Å²	21	90 Å²	90	13%	0.127	46%	0.458	C	S	.	.	H	α-helix	trans	-62.5	-44.5	175.8	175.8	0	0	0	0	110.9	I421 D423 D427 Y428 F429 L446 R447 L450	I421-V425 PolarHBondContact O-N 3.41Å; D423-V425 VanDerWaalsContact C-N 3.35Å; V425-D427 PolarHBondContact O-N 3.33Å; V425-Y428 PolarHBondContact O-N 3.4Å; V425-F429 HydrophobicContact CG1-CD2 3.78Å; V425-F429 HydrophobicContact CG1-CE2 3.78Å; V425-F429 VanDerWaalsContact O-CD2 3.27Å; V425-F429 WeakPolarHBondContact O-CD2 3.44Å; V425-F429 PolarHBondContact O-N 2.72Å; V425-F429 VanDerWaalsContact O-N 3.11Å; V425-L446 HydrophobicContact CG1-CD2 4.07Å; V425-R447 HydrophobicContact CB-CG 4.13Å; V425-R447 HydrophobicContact CG1-CG 3.85Å; V425-L450 HydrophobicContact CG2-CD1 4.15Å
426	K	69.9	Low	63.3	Low	73 Å²	73	85.7 Å²	85.7	32%	0.317	44%	0.44	S	S	.	.	H	α-helix	trans	-60.9	-44.1	177.3	-171	-174.3	-176.4	-176.3	0	111.8	E422 D423 K430	E422-K426 WeakPolarHBondContact O-CB 3.48Å; E422-K426 PolarHBondContact O-N 2.8Å; D423-K426 WeakPolarHBondContact O-CB 3.16Å; D423-K426 PolarHBondContact O-N 3.47Å; K426-K430 HydrophobicContact CG-CD 4.45Å; K426-K430 WeakPolarHBondContact O-CB 3.29Å; K426-K430 VanDerWaalsContact O-CG 3.28Å; K426-K430 WeakPolarHBondContact O-CG 3.45Å; K426-K430 PolarHBondContact O-N 2.79Å; K426-K430 VanDerWaalsContact O-N 3.07Å
427	D	69.6	Low	64.3	Low	57 Å²	57	81.5 Å²	81.5	31%	0.305	42%	0.42	S	S	.	.	H	α-helix	trans	-69.5	-39.5	-179.7	-81.8	-0.1	0	0	0	111.7	R413 D423 V424 V425 K430 K431	R413-D427 IonicContact NH1-OD2 3.59Å; D423-D427 WeakPolarHBondContact O-CB 3.39Å; D423-D427 PolarHBondContact O-N 3.49Å; V424-D427 PolarHBondContact O-N 3.28Å; V425-D427 PolarHBondContact O-N 3.33Å; D427-K430 PolarHBondContact O-N 3.11Å; D427-K431 WeakPolarHBondContact O-CG 3.06Å; D427-K431 PolarHBondContact O-N 3.39Å; D427-K431 VanDerWaalsContact O-N 3.17Å
428	Y	73.3	Confident	65.7	Low	107 Å²	107	77.7 Å²	77.7	42%	0.42	40%	0.4	S	S	.	.	H	α-helix	trans	-58.6	-54.1	174.7	178.5	-97.6	0	0	0	111.1	M406 V424 V425 K430 K431 A432	M406-Y428 HydrophobicContact SD-CD2 4.5Å; V424-Y428 WeakPolarHBondContact O-CB 3.46Å; V424-Y428 PolarHBondContact O-N 3.17Å; V425-Y428 PolarHBondContact O-N 3.4Å; Y428-K430 VanDerWaalsContact C-N 3.34Å; Y428-K430 PolarHBondContact O-N 2.72Å; Y428-K431 PolarHBondContact O-N 2.77Å; Y428-A432 HydrophobicContact CE1-CB 4.26Å; Y428-A432 WeakPolarHBondContact O-CB 3.4Å; Y428-A432 PolarHBondContact O-N 2.79Å
429	F	70.3	Confident	66.7	Low	20 Å²	20	72 Å²	72	9%	0.088	38%	0.381	C	S	.	.	H	α-helix	trans	-71.5	-25.5	-177.1	-74.9	-68.6	0	0	0	114.4	V425 K431 M438 E443 L446	V425-F429 HydrophobicContact CG1-CD2 3.78Å; V425-F429 HydrophobicContact CG1-CE2 3.78Å; V425-F429 VanDerWaalsContact O-CD2 3.27Å; V425-F429 WeakPolarHBondContact O-CD2 3.44Å; V425-F429 PolarHBondContact O-N 2.72Å; V425-F429 VanDerWaalsContact O-N 3.11Å; F429-K431 VanDerWaalsContact C-N 3.35Å; F429-M438 HydrophobicContact CD2-CE 4.43Å; F429-M438 HydrophobicContact CE1-CE 4.04Å; F429-M438 HydrophobicContact CE1-CG 3.9Å; F429-M438 HydrophobicContact CE1-SD 4.35Å; F429-M438 HydrophobicContact CE2-CE 3.81Å; F429-M438 HydrophobicContact CZ-CE 3.58Å; F429-M438 HydrophobicContact CZ-CG 4Å; F429-M438 HydrophobicContact CZ-SD 3.86Å; F429-E443 HydrophobicContact CB-CG 3.86Å; F429-E443 WeakPolarHBondContact CB-OE1 3.45Å; F429-E443 HydrophobicContact CD1-CG 4.38Å; F429-E443 HydrophobicContact CD2-CG 3.96Å; F429-E443 HydrophobicContact CG-CG 3.81Å; F429-L446 HydrophobicContact CE2-CD2 3.78Å; F429-L446 HydrophobicContact CZ-CD2 4.23Å
430	K	68.7	Low	67.4	Low	142 Å²	142	70.9 Å²	70.9	62%	0.617	37%	0.373	S	S	*	.	H	α-helix	trans	-65.3	-37	169.8	-83.9	179.6	173	-171.3	0	113	K426 D427 Y428	K426-K430 HydrophobicContact CG-CD 4.45Å; K426-K430 WeakPolarHBondContact O-CB 3.29Å; K426-K430 VanDerWaalsContact O-CG 3.28Å; K426-K430 WeakPolarHBondContact O-CG 3.45Å; K426-K430 PolarHBondContact O-N 2.79Å; K426-K430 VanDerWaalsContact O-N 3.07Å; D427-K430 PolarHBondContact O-N 3.11Å; Y428-K430 VanDerWaalsContact C-N 3.34Å; Y428-K430 PolarHBondContact O-N 2.72Å
431	K	69.5	Low	68	Low	158 Å²	158	69 Å²	69	69%	0.687	37%	0.366	S	S	*	.	H	α-helix	trans	-90	-24.9	-178.6	-68.7	-179.4	179.6	-175.5	0	113	D427 Y428 F429	D427-K431 WeakPolarHBondContact O-CG 3.06Å; D427-K431 PolarHBondContact O-N 3.39Å; D427-K431 VanDerWaalsContact O-N 3.17Å; Y428-K431 PolarHBondContact O-N 2.77Å; F429-K431 VanDerWaalsContact C-N 3.35Å
432	A	66.3	Low	68.5	Low	19 Å²	19	65.8 Å²	65.8	16%	0.157	35%	0.351	C	S	.	.	S	Bend	trans	-66.1	141.4	-174.4	0	0	0	0	0	112.1	Y428 C436	Y428-A432 HydrophobicContact CE1-CB 4.26Å; Y428-A432 WeakPolarHBondContact O-CB 3.4Å; Y428-A432 PolarHBondContact O-N 2.79Å; A432-C436 HydrophobicContact CB-CB 3.89Å
433	D	61.7	Low	69	Low	103 Å²	103	67.1 Å²	67.1	55%	0.551	36%	0.357	S	S	*	.			trans	-53.9	154.8	174.1	-72	-30.7	0	0	0	112.5	S435 C436 Q437	D433-S435 PolarHBondContact O-N 3.09Å; D433-C436 PolarHBondContact O-N 3.08Å; D433-Q437 PolarHBondContact O-N 3.33Å
434	S	63.5	Low	69.5	Low	94 Å²	94	69 Å²	69	66%	0.657	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.7	-26.9	173.4	-60.7	0	0	0	0	113.6	K496	S434-K496 PolarHBondContact O-NZ 3.27Å; S434-K496 VanDerWaalsContact O-NZ 3.13Å
435	S	61.6	Low	69.8	Low	78 Å²	78	66.3 Å²	66.3	55%	0.545	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74	-27.1	176.9	69.1	0	0	0	0	114.5	R396 D433	R396-S435 PolarHBondContact NH1-OG 3.19Å; D433-S435 PolarHBondContact O-N 3.09Å
436	C	62.7	Low	70.4	Confident	50 Å²	50	67.1 Å²	67.1	34%	0.338	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93	-11.5	178.8	-65.8	0	0	0	0	112.6	A432 D433 M438	A432-C436 HydrophobicContact CB-CB 3.89Å; D433-C436 PolarHBondContact O-N 3.08Å; C436-M438 PolarHBondContact O-N 2.8Å
437	Q	66.4	Low	70.9	Confident	67 Å²	67	66.3 Å²	66.3	31%	0.313	35%	0.35	S	S	.	.	S	Bend	trans	-68.2	129	175.7	-74.5	-176	-3.4	0	0	111.6	D433 K496	D433-Q437 PolarHBondContact O-N 3.33Å; Q437-K496 VanDerWaalsContact CB-CE 3.46Å; Q437-K496 VanDerWaalsContact CB-NZ 3.29Å; Q437-K496 PolarHBondContact O-NZ 3.12Å; Q437-K496 VanDerWaalsContact OE1-CE 3.3Å
438	M	70.2	Confident	71.4	Confident	47 Å²	47	68.5 Å²	68.5	23%	0.232	36%	0.358	C	S	.	.			trans	-59.5	138.3	178.3	-63.1	-178	-68.4	0	0	111.7	F429 C436 L441 E443 L446	F429-M438 HydrophobicContact CD2-CE 4.43Å; F429-M438 HydrophobicContact CE1-CE 4.04Å; F429-M438 HydrophobicContact CE1-CG 3.9Å; F429-M438 HydrophobicContact CE1-SD 4.35Å; F429-M438 HydrophobicContact CE2-CE 3.81Å; F429-M438 HydrophobicContact CZ-CE 3.58Å; F429-M438 HydrophobicContact CZ-CG 4Å; F429-M438 HydrophobicContact CZ-SD 3.86Å; C436-M438 PolarHBondContact O-N 2.8Å; M438-L441 HydrophobicContact CB-CB 4.45Å; M438-L441 WeakPolarHBondContact CB-O 3.36Å; M438-L441 HydrophobicContact CE-CB 4.48Å; M438-L441 HydrophobicContact SD-CB 3.79Å; M438-E443 HydrophobicContact CE-CG 4.01Å; M438-L446 HydrophobicContact CE-CB 4.25Å; M438-L446 HydrophobicContact CE-CD2 3.86Å; M438-L446 HydrophobicContact SD-CD2 4.06Å
439	S	68.4	Low	71.8	Confident	70 Å²	70	63.6 Å²	63.6	49%	0.49	34%	0.34	S	S	.	.	S	Bend	trans	-86.4	-46.2	179.6	52.6	0	0	0	0	112.3
440	L	71.2	Confident	72.3	Confident	40 Å²	40	64 Å²	64	21%	0.209	34%	0.343	C	S	.	.	S	Bend	trans	-99.4	-57	-174.3	-178	67.2	0	0	0	112.3	F470 A473 L492 R499	L440-F470 HydrophobicContact CD2-CD2 3.83Å; L440-A473 HydrophobicContact CD1-CB 3.2Å; L440-L492 HydrophobicContact CD1-CD2 4.28Å; L440-R499 PolarHBondContact O-NH1 3.32Å
441	L	73.1	Confident	72.7	Confident	50 Å²	50	61.7 Å²	61.7	26%	0.262	33%	0.33	S	S	.	.	S	Bend	trans	-68.8	132.8	179.3	-62.6	173.2	0	0	0	109.5	M438 I466 Q469	M438-L441 HydrophobicContact CB-CB 4.45Å; M438-L441 WeakPolarHBondContact CB-O 3.36Å; M438-L441 HydrophobicContact CE-CB 4.48Å; M438-L441 HydrophobicContact SD-CB 3.79Å; L441-I466 HydrophobicContact CD1-CG1 4.19Å; L441-I466 HydrophobicContact CD2-CB 4.19Å; L441-I466 HydrophobicContact CD2-CG1 3.76Å; L441-I466 HydrophobicContact CD2-CG2 4.42Å; L441-Q469 HydrophobicContact CD2-CB 4.07Å; L441-Q469 HydrophobicContact CD2-CG 4.3Å
442	S	75.9	Confident	73.1	Confident	25 Å²	25	55.3 Å²	55.3	18%	0.175	30%	0.304	C	S	.	.			trans	-88.8	145.6	175	70.1	0	0	0	0	110.6	N444 S445 L446 Q469	S442-N444 PolarHBondContact O-N 3.3Å; S442-S445 PolarHBondContact O-N 3.16Å; S442-S445 VanDerWaalsContact O-N 3.12Å; S442-S445 VanDerWaalsContact OG-CB 3.24Å; S442-S445 WeakPolarHBondContact OG-CB 3.4Å; S442-S445 PolarHBondContact OG-N 3.31Å; S442-L446 PolarHBondContact O-N 2.73Å; S442-Q469 PolarHBondContact OG-NE2 2.94Å
443	E	75.9	Confident	73.7	Confident	60 Å²	60	60.1 Å²	60.1	28%	0.28	32%	0.319	S	S	.	.	H	α-helix	trans	-56	-36.1	175.8	-65.4	170.8	-156.4	0	0	111.7	F429 M438 L446 R447	F429-E443 HydrophobicContact CB-CG 3.86Å; F429-E443 WeakPolarHBondContact CB-OE1 3.45Å; F429-E443 HydrophobicContact CD1-CG 4.38Å; F429-E443 HydrophobicContact CD2-CG 3.96Å; F429-E443 HydrophobicContact CG-CG 3.81Å; M438-E443 HydrophobicContact CE-CG 4.01Å; E443-L446 PolarHBondContact O-N 3.34Å; E443-R447 WeakPolarHBondContact O-CB 3.39Å; E443-R447 VanDerWaalsContact O-CG 3.24Å; E443-R447 WeakPolarHBondContact O-CG 3.44Å; E443-R447 PolarHBondContact O-N 3.38Å
444	N	78.6	Confident	74.2	Confident	100 Å²	100	57.6 Å²	57.6	54%	0.535	31%	0.312	S	S	.	.	H	α-helix	trans	-65.7	-45.2	177.1	-64	-5.9	0	0	0	112	S442 L446 R447 E448	S442-N444 PolarHBondContact O-N 3.3Å; N444-L446 VanDerWaalsContact C-N 3.31Å; N444-L446 PolarHBondContact O-N 3.04Å; N444-R447 PolarHBondContact O-N 2.81Å; N444-R447 PolarHBondContact OD1-NH2 2.86Å; N444-E448 WeakPolarHBondContact O-CB 3.42Å; N444-E448 PolarHBondContact O-N 2.94Å
445	S	79.8	Confident	74.6	Confident	12 Å²	12	59.9 Å²	59.9	8%	0.084	31%	0.306	C	S	.	.	H	α-helix	trans	-65.2	-36.9	178.8	-151.7	0	0	0	0	111.6	S442 A449 S465 Q469	S442-S445 PolarHBondContact O-N 3.16Å; S442-S445 VanDerWaalsContact O-N 3.12Å; S442-S445 VanDerWaalsContact OG-CB 3.24Å; S442-S445 WeakPolarHBondContact OG-CB 3.4Å; S442-S445 PolarHBondContact OG-N 3.31Å; S445-A449 WeakPolarHBondContact O-CB 3.39Å; S445-A449 PolarHBondContact O-N 2.89Å; S445-S465 WeakPolarHBondContact CB-OG 3.27Å; S445-S465 PolarHBondContact O-OG 2.83Å; S445-S465 PolarHBondContact OG-OG 3.29Å; S445-Q469 PolarHBondContact OG-NE2 3.46Å
446	L	82.8	Confident	75.2	Confident	38 Å²	38	62.1 Å²	62.1	20%	0.199	31%	0.306	C	S	.	.	H	α-helix	trans	-68.4	-46.1	175.4	-175.1	66.8	0	0	0	110.7	V425 F429 M438 S442 E443 N444 E448 A449 L450 F462	V425-L446 HydrophobicContact CG1-CD2 4.07Å; F429-L446 HydrophobicContact CE2-CD2 3.78Å; F429-L446 HydrophobicContact CZ-CD2 4.23Å; M438-L446 HydrophobicContact CE-CB 4.25Å; M438-L446 HydrophobicContact CE-CD2 3.86Å; M438-L446 HydrophobicContact SD-CD2 4.06Å; S442-L446 PolarHBondContact O-N 2.73Å; E443-L446 PolarHBondContact O-N 3.34Å; N444-L446 VanDerWaalsContact C-N 3.31Å; N444-L446 PolarHBondContact O-N 3.04Å; L446-E448 VanDerWaalsContact C-N 3.31Å; L446-E448 PolarHBondContact O-N 3.3Å; L446-A449 PolarHBondContact O-N 2.67Å; L446-L450 WeakPolarHBondContact O-CB 3.49Å; L446-L450 PolarHBondContact O-N 3.37Å; L446-F462 HydrophobicContact CD1-CD1 4.2Å; L446-F462 HydrophobicContact CD1-CE1 3.84Å
447	R	79.2	Confident	75.4	Confident	56 Å²	56	69 Å²	69	21%	0.211	33%	0.326	C	S	.	.	H	α-helix	trans	-59.5	-42.5	176.1	-74.3	-174.4	-60.1	148.5	-1.5	112	E422 V425 E443 N444 L450 R451	E422-R447 WeakPolarHBondContact O-CD 3.45Å; V425-R447 HydrophobicContact CB-CG 4.13Å; V425-R447 HydrophobicContact CG1-CG 3.85Å; E443-R447 WeakPolarHBondContact O-CB 3.39Å; E443-R447 VanDerWaalsContact O-CG 3.24Å; E443-R447 WeakPolarHBondContact O-CG 3.44Å; E443-R447 PolarHBondContact O-N 3.38Å; N444-R447 PolarHBondContact O-N 2.81Å; N444-R447 PolarHBondContact OD1-NH2 2.86Å; R447-L450 PolarHBondContact O-N 3.36Å; R447-R451 WeakPolarHBondContact O-CB 3.16Å; R447-R451 PolarHBondContact O-N 3.03Å
448	E	80.3	Confident	75.9	Confident	102 Å²	102	69.3 Å²	69.3	48%	0.477	33%	0.328	S	S	.	.	H	α-helix	trans	-67.6	-42.1	177.9	-175.7	161.7	-149.6	0	0	112.6	N444 L446 L450 R451 N452	N444-E448 WeakPolarHBondContact O-CB 3.42Å; N444-E448 PolarHBondContact O-N 2.94Å; L446-E448 VanDerWaalsContact C-N 3.31Å; L446-E448 PolarHBondContact O-N 3.3Å; E448-L450 VanDerWaalsContact C-N 3.33Å; E448-L450 PolarHBondContact O-N 3.07Å; E448-R451 WeakPolarHBondContact O-CB 3.37Å; E448-R451 PolarHBondContact O-N 3.24Å; E448-R451 IonicContact OE1-NH2 2.77Å; E448-R451 PolarHBondContact OE1-NH2 2.91Å; E448-N452 PolarHBondContact O-N 3.02Å
449	A	82.8	Confident	76.1	Confident	4 Å²	4	73.5 Å²	73.5	3%	0.033	35%	0.35	C	S	.	.	H	α-helix	trans	-60.6	-44.2	172.5	0	0	0	0	0	111.3	S445 L446 R451 N452 Y453 S461 F462	S445-A449 WeakPolarHBondContact O-CB 3.39Å; S445-A449 PolarHBondContact O-N 2.89Å; L446-A449 PolarHBondContact O-N 2.67Å; A449-R451 VanDerWaalsContact C-N 3.32Å; A449-R451 PolarHBondContact O-N 2.86Å; A449-N452 PolarHBondContact O-N 3.23Å; A449-Y453 WeakPolarHBondContact O-CB 3.39Å; A449-Y453 PolarHBondContact O-N 2.97Å; A449-S461 PolarHBondContact O-OG 3.43Å; A449-F462 HydrophobicContact CB-CD1 3.79Å; A449-F462 HydrophobicContact CB-CE1 4.05Å; A449-F462 HydrophobicContact CB-CG 4.2Å
450	L	79.8	Confident	76.7	Confident	28 Å²	28	75.8 Å²	75.8	15%	0.147	36%	0.357	C	S	.	.	H	α-helix	trans	-63.9	-38.6	178	-133.5	123.7	0	0	0	111.9	I421 V425 L446 R447 E448 A454 F462	I421-L450 HydrophobicContact CB-CD2 4.01Å; I421-L450 HydrophobicContact CD1-CD2 3.65Å; I421-L450 HydrophobicContact CG1-CD2 3.53Å; I421-L450 HydrophobicContact CG2-CD2 3.37Å; V425-L450 HydrophobicContact CG2-CD1 4.15Å; L446-L450 WeakPolarHBondContact O-CB 3.49Å; L446-L450 PolarHBondContact O-N 3.37Å; R447-L450 PolarHBondContact O-N 3.36Å; E448-L450 VanDerWaalsContact C-N 3.33Å; E448-L450 PolarHBondContact O-N 3.07Å; L450-A454 WeakPolarHBondContact O-CB 3.34Å; L450-A454 PolarHBondContact O-N 3.43Å; L450-F462 HydrophobicContact CB-CZ 4.2Å; L450-F462 HydrophobicContact CD1-CE1 4.01Å; L450-F462 HydrophobicContact CD1-CZ 3.81Å; L450-F462 HydrophobicContact CG-CE1 4.41Å; L450-F462 HydrophobicContact CG-CZ 3.84Å
451	R	76.6	Confident	77.2	Confident	95 Å²	95	74.1 Å²	74.1	36%	0.358	35%	0.348	S	S	.	.	H	α-helix	trans	-63	-47.2	174.1	-176.3	173.6	70.1	177.1	0.2	111.9	E422 R447 E448 A449 R455	E422-R451 HydrophobicContact CG-CB 4.17Å; E422-R451 WeakPolarHBondContact OE1-CB 3.41Å; E422-R451 VanDerWaalsContact OE1-CD 3.26Å; E422-R451 WeakPolarHBondContact OE1-CD 3.48Å; E422-R451 WeakPolarHBondContact OE1-CG 3.43Å; R447-R451 WeakPolarHBondContact O-CB 3.16Å; R447-R451 PolarHBondContact O-N 3.03Å; E448-R451 WeakPolarHBondContact O-CB 3.37Å; E448-R451 PolarHBondContact O-N 3.24Å; E448-R451 IonicContact OE1-NH2 2.77Å; E448-R451 PolarHBondContact OE1-NH2 2.91Å; A449-R451 VanDerWaalsContact C-N 3.32Å; A449-R451 PolarHBondContact O-N 2.86Å; R451-R455 VanDerWaalsContact O-CB 3.3Å; R451-R455 WeakPolarHBondContact O-CB 3.29Å; R451-R455 PolarHBondContact O-N 3.27Å
452	N	78.6	Confident	77.5	Confident	23 Å²	23	74.6 Å²	74.6	12%	0.123	35%	0.348	C	S	.	.	H	α-helix	trans	-65.5	-41.2	179.1	-76	-7.7	0	0	0	111.1	E448 A449 K456 Y457 E458	E448-N452 PolarHBondContact O-N 3.02Å; A449-N452 PolarHBondContact O-N 3.23Å; N452-K456 CarbonylContact O-C 3.6Å; N452-K456 VanDerWaalsContact O-CA 3.26Å; N452-K456 WeakPolarHBondContact O-CA 3.39Å; N452-K456 VanDerWaalsContact O-CB 3.23Å; N452-K456 WeakPolarHBondContact O-CB 3.45Å; N452-K456 PolarHBondContact O-N 3.25Å; N452-K456 PolarHBondContact OD1-NZ 3.24Å; N452-Y457 PolarHBondContact O-N 3.29Å; N452-Y457 VanDerWaalsContact O-N 3.16Å; N452-E458 HydrophobicContact CB-CB 4.37Å; N452-E458 WeakPolarHBondContact CB-OE2 3.27Å; N452-E458 PolarHBondContact ND2-OE2 3.34Å; N452-E458 PolarHBondContact O-N 3.44Å
453	Y	79	Confident	77.8	Confident	121 Å²	121	75.5 Å²	75.5	48%	0.475	36%	0.362	S	S	.	.	H	α-helix	trans	-62.3	-53.1	173.4	-178.6	-101.2	0	0	0	112.1	A449 Y457 F462	A449-Y453 WeakPolarHBondContact O-CB 3.39Å; A449-Y453 PolarHBondContact O-N 2.97Å; Y453-Y457 WeakPolarHBondContact O-CA 3.23Å; Y453-Y457 PolarHBondContact O-N 3.07Å; Y453-F462 HydrophobicContact CD1-CE2 4.11Å; Y453-F462 HydrophobicContact CD2-CD2 4.39Å; Y453-F462 HydrophobicContact CD2-CE2 4.12Å; Y453-F462 HydrophobicContact CG-CD2 4.34Å; Y453-F462 AromaticContact CG-CE2 3.67Å; Y453-F462 HydrophobicContact CG-CE2 3.67Å
454	A	72.6	Confident	78.2	Confident	50 Å²	50	77.9 Å²	77.9	41%	0.413	37%	0.373	S	S	.	.	H	α-helix	trans	-71.5	-32.6	-173.5	0	0	0	0	0	113.8	I421 L450	I421-A454 HydrophobicContact CG2-CB 4.45Å; L450-A454 WeakPolarHBondContact O-CB 3.34Å; L450-A454 PolarHBondContact O-N 3.43Å
455	R	70.5	Confident	78.4	Confident	142 Å²	142	73.7 Å²	73.7	54%	0.536	35%	0.352	S	S	.	.	H	α-helix	trans	-102.7	-38.5	-177.2	-63.8	-171.7	179.3	-175.1	0.3	114.1	H420 R451	H420-R455 PolarHBondContact CE1-NH2 3.28Å; H420-R455 PolarHBondContact ND1-NH2 2.88Å; H420-R455 PolarHBondContact NE2-NH2 3.15Å; R451-R455 VanDerWaalsContact O-CB 3.3Å; R451-R455 WeakPolarHBondContact O-CB 3.29Å; R451-R455 PolarHBondContact O-N 3.27Å
456	K	74.2	Confident	78.6	Confident	124 Å²	124	77 Å²	77	54%	0.539	37%	0.368	S	S	.	.	H	α-helix	trans	-102.8	-3	-174.7	-55.1	-179.2	-179.8	169.3	0	113.3	N452 E458	N452-K456 CarbonylContact O-C 3.6Å; N452-K456 VanDerWaalsContact O-CA 3.26Å; N452-K456 WeakPolarHBondContact O-CA 3.39Å; N452-K456 VanDerWaalsContact O-CB 3.23Å; N452-K456 WeakPolarHBondContact O-CB 3.45Å; N452-K456 PolarHBondContact O-N 3.25Å; N452-K456 PolarHBondContact OD1-NZ 3.24Å; K456-E458 HydrophobicContact CB-CG 3.94Å; K456-E458 WeakPolarHBondContact CD-OE1 3.4Å; K456-E458 IonicContact NZ-OE1 2.84Å; K456-E458 PolarHBondContact O-N 3.42Å
457	Y	68.5	Low	78.6	Confident	194 Å²	194	82 Å²	82	76%	0.761	39%	0.388	S	S	*	.			trans	55.5	28.2	-176.4	-66.3	-89.9	0	0	0	113.5	N452 Y453 I459	N452-Y457 PolarHBondContact O-N 3.29Å; N452-Y457 VanDerWaalsContact O-N 3.16Å; Y453-Y457 WeakPolarHBondContact O-CA 3.23Å; Y453-Y457 PolarHBondContact O-N 3.07Å; Y457-I459 PolarHBondContact O-N 3.36Å; Y457-I459 VanDerWaalsContact O-N 3.08Å
458	E	75.5	Confident	78.8	Confident	75 Å²	75	85.3 Å²	85.3	35%	0.35	41%	0.405	S	S	.	.			trans	-77.6	93.1	175.9	-71.8	173.3	-166.1	0	0	109.2	N452 K456 D460 S461	N452-E458 HydrophobicContact CB-CB 4.37Å; N452-E458 WeakPolarHBondContact CB-OE2 3.27Å; N452-E458 PolarHBondContact ND2-OE2 3.34Å; N452-E458 PolarHBondContact O-N 3.44Å; K456-E458 HydrophobicContact CB-CG 3.94Å; K456-E458 WeakPolarHBondContact CD-OE1 3.4Å; K456-E458 IonicContact NZ-OE1 2.84Å; K456-E458 PolarHBondContact O-N 3.42Å; E458-D460 PolarHBondContact O-N 2.95Å; E458-S461 VanDerWaalsContact O-CB 3.28Å; E458-S461 WeakPolarHBondContact O-CB 3.48Å; E458-S461 PolarHBondContact O-N 2.92Å; E458-S461 VanDerWaalsContact O-N 3.17Å; E458-S461 PolarHBondContact O-OG 2.9Å
459	I	75.9	Confident	78.9	Confident	135 Å²	135	81.4 Å²	81.4	69%	0.692	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-37.4	-178.6	-57.8	173.7	0	0	0	111.2	Y457 S461	Y457-I459 PolarHBondContact O-N 3.36Å; Y457-I459 VanDerWaalsContact O-N 3.08Å; I459-S461 VanDerWaalsContact C-N 3.3Å; I459-S461 PolarHBondContact O-N 3.34Å
460	D	81.1	Confident	78.9	Confident	118 Å²	118	86.7 Å²	86.7	63%	0.631	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-8.6	-177.4	-63.8	-41.4	0	0	0	113.9	E458 F462 G463 E464	E458-D460 PolarHBondContact O-N 2.95Å; D460-F462 PolarHBondContact O-N 3.14Å; D460-F462 VanDerWaalsContact O-N 3.13Å; D460-G463 CarbonylContact O-C 3.55Å; D460-G463 WeakPolarHBondContact O-CA 3.42Å; D460-G463 PolarHBondContact O-N 3.14Å; D460-E464 HydrophobicContact CB-CG 4.49Å; D460-E464 PolarHBondContact O-N 2.88Å
461	S	80	Confident	79.1	Confident	5 Å²	5	89.6 Å²	89.6	4%	0.035	43%	0.426	C	S	.	.	H	α-helix	trans	-54.3	-38	-175.2	58.2	0	0	0	0	113.5	A449 E458 I459 S465	A449-S461 PolarHBondContact O-OG 3.43Å; E458-S461 VanDerWaalsContact O-CB 3.28Å; E458-S461 WeakPolarHBondContact O-CB 3.48Å; E458-S461 PolarHBondContact O-N 2.92Å; E458-S461 VanDerWaalsContact O-N 3.17Å; E458-S461 PolarHBondContact O-OG 2.9Å; I459-S461 VanDerWaalsContact C-N 3.3Å; I459-S461 PolarHBondContact O-N 3.34Å; S461-S465 WeakPolarHBondContact O-CB 3.49Å; S461-S465 PolarHBondContact O-N 2.82Å
462	F	80.9	Confident	79.3	Confident	59 Å²	59	92.8 Å²	92.8	26%	0.259	44%	0.437	S	S	.	.	H	α-helix	trans	-67.6	-46.1	173.7	-73.5	-78.8	0	0	0	111.9	L446 A449 L450 Y453 D460 E464 S465 I466	L446-F462 HydrophobicContact CD1-CD1 4.2Å; L446-F462 HydrophobicContact CD1-CE1 3.84Å; A449-F462 HydrophobicContact CB-CD1 3.79Å; A449-F462 HydrophobicContact CB-CE1 4.05Å; A449-F462 HydrophobicContact CB-CG 4.2Å; L450-F462 HydrophobicContact CB-CZ 4.2Å; L450-F462 HydrophobicContact CD1-CE1 4.01Å; L450-F462 HydrophobicContact CD1-CZ 3.81Å; L450-F462 HydrophobicContact CG-CE1 4.41Å; L450-F462 HydrophobicContact CG-CZ 3.84Å; Y453-F462 HydrophobicContact CD1-CE2 4.11Å; Y453-F462 HydrophobicContact CD2-CD2 4.39Å; Y453-F462 HydrophobicContact CD2-CE2 4.12Å; Y453-F462 HydrophobicContact CG-CD2 4.34Å; Y453-F462 AromaticContact CG-CE2 3.67Å; Y453-F462 HydrophobicContact CG-CE2 3.67Å; D460-F462 PolarHBondContact O-N 3.14Å; D460-F462 VanDerWaalsContact O-N 3.13Å; F462-E464 PolarHBondContact O-N 2.83Å; F462-S465 PolarHBondContact O-N 2.89Å; F462-I466 WeakPolarHBondContact O-CB 3.47Å; F462-I466 WeakPolarHBondContact O-CD1 3.34Å; F462-I466 WeakPolarHBondContact O-CG1 3.4Å; F462-I466 PolarHBondContact O-N 2.8Å
463	G	81.8	Confident	79.4	Confident	45 Å²	45	91.9 Å²	91.9	46%	0.464	43%	0.434	S	S	.	.	H	α-helix	trans	-60.2	-44.6	178.2	0	0	0	0	0	112.1	D460 I466 K467	D460-G463 CarbonylContact O-C 3.55Å; D460-G463 WeakPolarHBondContact O-CA 3.42Å; D460-G463 PolarHBondContact O-N 3.14Å; G463-I466 PolarHBondContact O-N 2.69Å; G463-K467 VanDerWaalsContact O-CB 3.24Å; G463-K467 WeakPolarHBondContact O-CB 3.3Å; G463-K467 PolarHBondContact O-N 2.7Å
464	E	83.9	Confident	79.5	Confident	109 Å²	109	88.4 Å²	88.4	51%	0.509	43%	0.425	S	S	.	.	H	α-helix	trans	-64.5	-46.9	176.4	-69.3	-171.1	163.9	0	0	112.2	D460 F462 I466 K467 Q468	D460-E464 HydrophobicContact CB-CG 4.49Å; D460-E464 PolarHBondContact O-N 2.88Å; F462-E464 PolarHBondContact O-N 2.83Å; E464-I466 VanDerWaalsContact C-N 3.33Å; E464-I466 PolarHBondContact O-N 2.72Å; E464-K467 PolarHBondContact O-N 2.93Å; E464-Q468 WeakPolarHBondContact O-CB 3.43Å; E464-Q468 VanDerWaalsContact O-CG 3.27Å; E464-Q468 WeakPolarHBondContact O-CG 3.36Å; E464-Q468 PolarHBondContact O-N 2.89Å
465	S	83.2	Confident	79.9	Confident	13 Å²	13	91 Å²	91	9%	0.091	43%	0.428	C	S	.	.	H	α-helix	trans	-59.6	-44.3	177.5	-177.1	0	0	0	0	111.3	S445 S461 F462 Q469	S445-S465 WeakPolarHBondContact CB-OG 3.27Å; S445-S465 PolarHBondContact O-OG 2.83Å; S445-S465 PolarHBondContact OG-OG 3.29Å; S461-S465 WeakPolarHBondContact O-CB 3.49Å; S461-S465 PolarHBondContact O-N 2.82Å; F462-S465 PolarHBondContact O-N 2.89Å; S465-Q469 VanDerWaalsContact O-CG 3.3Å; S465-Q469 WeakPolarHBondContact O-CG 3.37Å; S465-Q469 PolarHBondContact O-N 3.37Å; S465-Q469 VanDerWaalsContact O-N 3.09Å
466	I	82.9	Confident	80.4	Confident	82 Å²	82	86.5 Å²	86.5	42%	0.421	41%	0.414	S	S	.	.	H	α-helix	trans	-63	-48.4	175.4	-68	164.6	0	0	0	110.6	L441 F462 G463 E464 Q468 Q469 F470	L441-I466 HydrophobicContact CD1-CG1 4.19Å; L441-I466 HydrophobicContact CD2-CB 4.19Å; L441-I466 HydrophobicContact CD2-CG1 3.76Å; L441-I466 HydrophobicContact CD2-CG2 4.42Å; F462-I466 WeakPolarHBondContact O-CB 3.47Å; F462-I466 WeakPolarHBondContact O-CD1 3.34Å; F462-I466 WeakPolarHBondContact O-CG1 3.4Å; F462-I466 PolarHBondContact O-N 2.8Å; G463-I466 PolarHBondContact O-N 2.69Å; E464-I466 VanDerWaalsContact C-N 3.33Å; E464-I466 PolarHBondContact O-N 2.72Å; I466-Q468 PolarHBondContact O-N 2.77Å; I466-Q469 PolarHBondContact O-N 2.65Å; I466-F470 VanDerWaalsContact O-CB 3.31Å; I466-F470 WeakPolarHBondContact O-CB 3.3Å; I466-F470 PolarHBondContact O-N 3.1Å
467	K	84.4	Confident	80.7	Confident	142 Å²	142	82.1 Å²	82.1	62%	0.617	40%	0.397	S	S	*	.	H	α-helix	trans	-61.8	-42.7	-179.2	-170.4	177.2	-176.5	179.7	0	111.9	G463 E464 F470 N471	G463-K467 VanDerWaalsContact O-CB 3.24Å; G463-K467 WeakPolarHBondContact O-CB 3.3Å; G463-K467 PolarHBondContact O-N 2.7Å; E464-K467 PolarHBondContact O-N 2.93Å; K467-F470 PolarHBondContact O-N 3.47Å; K467-N471 WeakPolarHBondContact O-CB 3.3Å; K467-N471 PolarHBondContact O-N 2.83Å; K467-N471 PolarHBondContact O-ND2 3.23Å
468	Q	82.9	Confident	81.3	Confident	125 Å²	125	79.5 Å²	79.5	58%	0.584	39%	0.391	S	S	*	.	H	α-helix	trans	-62.7	-45.4	176.5	-74.2	178.1	13.9	0	0	112	E464 I466 R472	E464-Q468 WeakPolarHBondContact O-CB 3.43Å; E464-Q468 VanDerWaalsContact O-CG 3.27Å; E464-Q468 WeakPolarHBondContact O-CG 3.36Å; E464-Q468 PolarHBondContact O-N 2.89Å; I466-Q468 PolarHBondContact O-N 2.77Å; Q468-R472 WeakPolarHBondContact O-CB 3.24Å; Q468-R472 PolarHBondContact O-N 3.49Å
469	Q	82.4	Confident	81.6	Confident	20 Å²	20	82.2 Å²	82.2	9%	0.093	40%	0.404	C	S	.	.	H	α-helix	trans	-66.9	-40	178.1	-69.1	-66.6	-20.6	0	0	111.9	L441 S442 S445 S465 I466 R472 A473	L441-Q469 HydrophobicContact CD2-CB 4.07Å; L441-Q469 HydrophobicContact CD2-CG 4.3Å; S442-Q469 PolarHBondContact OG-NE2 2.94Å; S445-Q469 PolarHBondContact OG-NE2 3.46Å; S465-Q469 VanDerWaalsContact O-CG 3.3Å; S465-Q469 WeakPolarHBondContact O-CG 3.37Å; S465-Q469 PolarHBondContact O-N 3.37Å; S465-Q469 VanDerWaalsContact O-N 3.09Å; I466-Q469 PolarHBondContact O-N 2.65Å; Q469-R472 PolarHBondContact O-N 3.08Å; Q469-A473 PolarHBondContact O-N 2.95Å
470	F	83.3	Confident	81.9	Confident	115 Å²	115	83 Å²	83	50%	0.504	40%	0.399	S	S	.	.	H	α-helix	trans	-61.3	-53.2	175.8	-168	-90.7	0	0	0	110.7	L440 I466 K467 R472 A473 T474	L440-F470 HydrophobicContact CD2-CD2 3.83Å; I466-F470 VanDerWaalsContact O-CB 3.31Å; I466-F470 WeakPolarHBondContact O-CB 3.3Å; I466-F470 PolarHBondContact O-N 3.1Å; K467-F470 PolarHBondContact O-N 3.47Å; F470-R472 VanDerWaalsContact C-N 3.27Å; F470-R472 PolarHBondContact O-N 3.04Å; F470-A473 PolarHBondContact O-N 3.29Å; F470-T474 WeakPolarHBondContact CE1-OG1 3.46Å; F470-T474 PolarHBondContact O-N 3.12Å; F470-T474 PolarHBondContact O-OG1 3.24Å
471	N	83.4	Confident	81.7	Confident	90 Å²	90	79.2 Å²	79.2	48%	0.481	39%	0.387	S	S	.	.	H	α-helix	trans	-55.9	-41.5	178.2	-72.5	-11.2	0	0	0	112.4	K467 T474 H475	K467-N471 WeakPolarHBondContact O-CB 3.3Å; K467-N471 PolarHBondContact O-N 2.83Å; K467-N471 PolarHBondContact O-ND2 3.23Å; N471-T474 PolarHBondContact O-N 3.02Å; N471-H475 WeakPolarHBondContact O-CB 3.37Å; N471-H475 PolarHBondContact O-N 3.22Å
472	R	80.2	Confident	81.6	Confident	161 Å²	161	80.4 Å²	80.4	61%	0.608	39%	0.394	S	S	*	.	H	α-helix	trans	-64.9	-39.8	177.9	-170.5	173.7	-175.5	165.3	2.5	112.3	Q468 Q469 F470 L476	Q468-R472 WeakPolarHBondContact O-CB 3.24Å; Q468-R472 PolarHBondContact O-N 3.49Å; Q469-R472 PolarHBondContact O-N 3.08Å; F470-R472 VanDerWaalsContact C-N 3.27Å; F470-R472 PolarHBondContact O-N 3.04Å; R472-L476 WeakPolarHBondContact O-CG 3.3Å; R472-L476 PolarHBondContact O-N 3.41Å
473	A	80.2	Confident	81.5	Confident	5 Å²	5	85.9 Å²	85.9	4%	0.041	42%	0.42	C	S	.	.	H	α-helix	trans	-70	-42.3	175.5	0	0	0	0	0	111.7	L440 Q469 F470 H475 L476 L477 L492	L440-A473 HydrophobicContact CD1-CB 3.2Å; Q469-A473 PolarHBondContact O-N 2.95Å; F470-A473 PolarHBondContact O-N 3.29Å; A473-H475 VanDerWaalsContact C-N 3.34Å; A473-H475 PolarHBondContact O-N 3.3Å; A473-L476 PolarHBondContact O-N 3.06Å; A473-L477 VanDerWaalsContact O-CG 3.27Å; A473-L477 WeakPolarHBondContact O-CG 3.47Å; A473-L477 PolarHBondContact O-N 3.26Å; A473-L492 HydrophobicContact CB-CD2 4.39Å
474	T	81.7	Confident	81.3	Confident	47 Å²	47	87 Å²	87	29%	0.288	42%	0.415	S	S	.	.	H	α-helix	trans	-58.9	-45.2	175.8	-54.4	0	0	0	0	111.4	F470 N471 L476 L477 Q478	F470-T474 WeakPolarHBondContact CE1-OG1 3.46Å; F470-T474 PolarHBondContact O-N 3.12Å; F470-T474 PolarHBondContact O-OG1 3.24Å; N471-T474 PolarHBondContact O-N 3.02Å; T474-L476 PolarHBondContact O-N 3.48Å; T474-L477 PolarHBondContact O-N 2.8Å; T474-Q478 HydrophobicContact CG2-CG 4.5Å; T474-Q478 WeakPolarHBondContact O-CB 3.34Å; T474-Q478 WeakPolarHBondContact O-CG 3.44Å; T474-Q478 PolarHBondContact O-N 3.5Å
475	H	82.4	Confident	81	Confident	104 Å²	104	84.8 Å²	84.8	48%	0.481	42%	0.416	S	S	.	.	H	α-helix	trans	-59.8	-45.4	176.4	-168.7	-84.5	0	0	0	112.2	N471 A473 L477 Q478 E479	N471-H475 WeakPolarHBondContact O-CB 3.37Å; N471-H475 PolarHBondContact O-N 3.22Å; A473-H475 VanDerWaalsContact C-N 3.34Å; A473-H475 PolarHBondContact O-N 3.3Å; H475-L477 VanDerWaalsContact C-N 3.31Å; H475-L477 PolarHBondContact O-N 3.28Å; H475-Q478 PolarHBondContact O-N 3.29Å; H475-E479 VanDerWaalsContact CE1-CD 3.42Å; H475-E479 IonicContact CE1-OE1 2.92Å; H475-E479 PolarHBondContact CE1-OE1 2.88Å; H475-E479 IonicContact ND1-OE1 3.6Å; H475-E479 IonicContact ND1-OE2 3.63Å; H475-E479 PolarHBondContact O-N 3.46Å
476	L	79.4	Confident	80.7	Confident	48 Å²	48	90.9 Å²	90.9	25%	0.251	44%	0.443	S	S	.	.	H	α-helix	trans	-65.1	-32.7	177.7	-77.9	167.5	0	0	0	113.2	R472 A473 T474 R480 L495	R472-L476 WeakPolarHBondContact O-CG 3.3Å; R472-L476 PolarHBondContact O-N 3.41Å; A473-L476 PolarHBondContact O-N 3.06Å; T474-L476 PolarHBondContact O-N 3.48Å; L476-R480 WeakPolarHBondContact O-CG 3.45Å; L476-R480 PolarHBondContact O-N 2.88Å; L476-L495 HydrophobicContact CD1-CD1 3.81Å; L476-L495 HydrophobicContact CD1-CD2 3.82Å; L476-L495 HydrophobicContact CD1-CG 4.18Å
477	L	81.4	Confident	80.4	Confident	33 Å²	33	90.5 Å²	90.5	17%	0.173	44%	0.439	C	S	.	.	H	α-helix	trans	-73.1	-37.7	174.6	-68.1	170.8	0	0	0	111.2	A473 T474 H475 R480 G481 V482 I488 L491	A473-L477 VanDerWaalsContact O-CG 3.27Å; A473-L477 WeakPolarHBondContact O-CG 3.47Å; A473-L477 PolarHBondContact O-N 3.26Å; T474-L477 PolarHBondContact O-N 2.8Å; H475-L477 VanDerWaalsContact C-N 3.31Å; H475-L477 PolarHBondContact O-N 3.28Å; L477-R480 PolarHBondContact O-N 3.47Å; L477-G481 PolarHBondContact O-N 3.09Å; L477-V482 HydrophobicContact CB-CG2 4.43Å; L477-V482 HydrophobicContact CD2-CG2 3.98Å; L477-V482 WeakPolarHBondContact O-CG2 3.45Å; L477-V482 PolarHBondContact O-N 3.13Å; L477-I488 HydrophobicContact CD1-CG2 4.11Å; L477-I488 HydrophobicContact CD2-CB 4.5Å; L477-I488 HydrophobicContact CD2-CG1 4.34Å; L477-I488 HydrophobicContact CD2-CG2 4.33Å; L477-L491 HydrophobicContact CD2-CB 3.98Å; L477-L491 HydrophobicContact CD2-CD1 3.9Å
478	Q	81.6	Confident	80.1	Confident	138 Å²	138	86.8 Å²	86.8	65%	0.645	43%	0.425	S	S	*	.	H	α-helix	trans	-66.9	-47.6	176.1	-75.4	175.1	-21.5	0	0	112.2	T474 H475 R480 G481	T474-Q478 HydrophobicContact CG2-CG 4.5Å; T474-Q478 WeakPolarHBondContact O-CB 3.34Å; T474-Q478 WeakPolarHBondContact O-CG 3.44Å; T474-Q478 PolarHBondContact O-N 3.5Å; H475-Q478 PolarHBondContact O-N 3.29Å; Q478-R480 PolarHBondContact O-N 2.81Å; Q478-G481 PolarHBondContact O-N 3.1Å; Q478-G481 VanDerWaalsContact O-N 3.13Å
479	E	81.3	Confident	79.8	Confident	132 Å²	132	89.2 Å²	89.2	62%	0.617	43%	0.43	S	S	*	.	H	α-helix	trans	-58.3	-30.9	177.3	-77.6	-178	148.3	0	0	113.1	H475	H475-E479 VanDerWaalsContact CE1-CD 3.42Å; H475-E479 IonicContact CE1-OE1 2.92Å; H475-E479 PolarHBondContact CE1-OE1 2.88Å; H475-E479 IonicContact ND1-OE1 3.6Å; H475-E479 IonicContact ND1-OE2 3.63Å; H475-E479 PolarHBondContact O-N 3.46Å
480	R	81.3	Confident	79.6	Confident	153 Å²	153	91.2 Å²	91.2	58%	0.577	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.7	-1.3	-178.5	-70.5	-173	178.9	-168.5	-0.1	114.3	L476 L477 Q478 V482 L491	L476-R480 WeakPolarHBondContact O-CG 3.45Å; L476-R480 PolarHBondContact O-N 2.88Å; L477-R480 PolarHBondContact O-N 3.47Å; Q478-R480 PolarHBondContact O-N 2.81Å; R480-V482 HydrophobicContact CB-CG2 4.21Å; R480-L491 HydrophobicContact CB-CD1 4.4Å; R480-L491 VanDerWaalsContact CD-CD2 3.41Å
481	G	77.8	Confident	79.3	Confident	37 Å²	37	86.8 Å²	86.8	38%	0.381	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.8	53.6	176.8	0	0	0	0	0	113	L477 Q478 H483	L477-G481 PolarHBondContact O-N 3.09Å; Q478-G481 PolarHBondContact O-N 3.1Å; Q478-G481 VanDerWaalsContact O-N 3.13Å; G481-H483 PolarHBondContact O-CD2 3.26Å; G481-H483 PolarHBondContact O-NE2 2.93Å
482	V	78.3	Confident	78.9	Confident	31 Å²	31	84.1 Å²	84.1	19%	0.188	41%	0.411	C	S	.	.			trans	-83.4	126.9	-175.6	-177.2	0	0	0	0	111.2	L477 R480 Q487 I488 L491	L477-V482 HydrophobicContact CB-CG2 4.43Å; L477-V482 HydrophobicContact CD2-CG2 3.98Å; L477-V482 WeakPolarHBondContact O-CG2 3.45Å; L477-V482 PolarHBondContact O-N 3.13Å; R480-V482 HydrophobicContact CB-CG2 4.21Å; V482-Q487 HydrophobicContact CG1-CB 3.5Å; V482-I488 HydrophobicContact CG1-CB 4.47Å; V482-I488 HydrophobicContact CG1-CD1 4.45Å; V482-I488 HydrophobicContact CG1-CG1 3.45Å; V482-I488 VanDerWaalsContact CG1-CG1 3.45Å; V482-L491 HydrophobicContact CB-CD1 4.47Å; V482-L491 HydrophobicContact CG2-CD1 3.15Å
483	H	77	Confident	78.5	Confident	173 Å²	173	77.5 Å²	77.5	80%	0.801	39%	0.393	S	S	*	.			trans	-114.5	-15.5	-174.2	-61.8	-64.6	0	0	0	114.8	G481	G481-H483 PolarHBondContact O-CD2 3.26Å; G481-H483 PolarHBondContact O-NE2 2.93Å
484	D	79.3	Confident	78.1	Confident	68 Å²	68	83.2 Å²	83.2	36%	0.364	42%	0.417	S	S	.	.	S	Bend	trans	-132.3	159.5	-177.5	72.4	50.7	0	0	0	112.9	H486 Q487 I488	D484-H486 VanDerWaalsContact C-N 3.27Å; D484-H486 PolarHBondContact O-N 3.18Å; D484-H486 WeakPolarHBondContact OD1-CA 3.48Å; D484-H486 WeakPolarHBondContact OD1-CB 3.32Å; D484-H486 PolarHBondContact OD1-N 3.01Å; D484-Q487 PolarHBondContact O-N 3.05Å; D484-Q487 WeakPolarHBondContact OD1-CB 3.37Å; D484-Q487 VanDerWaalsContact OD1-CG 3.27Å; D484-Q487 WeakPolarHBondContact OD1-CG 3.45Å; D484-Q487 PolarHBondContact OD1-N 2.88Å; D484-Q487 VanDerWaalsContact OD2-CD 3.29Å; D484-Q487 WeakPolarHBondContact OD2-CG 3.23Å; D484-Q487 PolarHBondContact OD2-NE2 3.39Å; D484-I488 WeakPolarHBondContact O-CG1 3.34Å; D484-I488 PolarHBondContact O-N 2.84Å
485	A	76.8	Confident	77.6	Confident	64 Å²	64	82.4 Å²	82.4	53%	0.529	41%	0.411	S	S	.	.	H	α-helix	trans	-62.5	-33	-179	0	0	0	0	0	112.7	I488 Y489	A485-I488 WeakPolarHBondContact O-CB 3.38Å; A485-I488 PolarHBondContact O-N 2.79Å; A485-Y489 WeakPolarHBondContact O-CD2 3.48Å; A485-Y489 PolarHBondContact O-N 3.22Å
486	H	76.3	Confident	76.9	Confident	141 Å²	141	80 Å²	80	65%	0.653	40%	0.399	S	S	*	.	H	α-helix	trans	-68.9	-40	-176.8	-172.2	70.6	0	0	0	112	D484 I488 Y489 T490	D484-H486 VanDerWaalsContact C-N 3.27Å; D484-H486 PolarHBondContact O-N 3.18Å; D484-H486 WeakPolarHBondContact OD1-CA 3.48Å; D484-H486 WeakPolarHBondContact OD1-CB 3.32Å; D484-H486 PolarHBondContact OD1-N 3.01Å; H486-I488 VanDerWaalsContact C-N 3.35Å; H486-Y489 PolarHBondContact O-N 2.65Å; H486-T490 WeakPolarHBondContact O-CB 3.48Å; H486-T490 PolarHBondContact O-N 3.25Å; H486-T490 PolarHBondContact O-OG1 2.94Å
487	Q	77	Confident	76.3	Confident	73 Å²	73	86.9 Å²	86.9	34%	0.341	42%	0.422	S	S	.	.	H	α-helix	trans	-63.2	-40.7	173	-71.7	172.9	21.1	0	0	111	V482 D484 T490 L491	V482-Q487 HydrophobicContact CG1-CB 3.5Å; D484-Q487 PolarHBondContact O-N 3.05Å; D484-Q487 WeakPolarHBondContact OD1-CB 3.37Å; D484-Q487 VanDerWaalsContact OD1-CG 3.27Å; D484-Q487 WeakPolarHBondContact OD1-CG 3.45Å; D484-Q487 PolarHBondContact OD1-N 2.88Å; D484-Q487 VanDerWaalsContact OD2-CD 3.29Å; D484-Q487 WeakPolarHBondContact OD2-CG 3.23Å; D484-Q487 PolarHBondContact OD2-NE2 3.39Å; Q487-T490 PolarHBondContact O-N 3.41Å; Q487-L491 WeakPolarHBondContact O-CB 3.46Å; Q487-L491 WeakPolarHBondContact O-CD1 3.15Å; Q487-L491 VanDerWaalsContact O-CG 3.3Å; Q487-L491 WeakPolarHBondContact O-CG 3.43Å; Q487-L491 PolarHBondContact O-N 3.32Å
488	I	79.1	Confident	75.6	Confident	65 Å²	65	89.1 Å²	89.1	33%	0.333	44%	0.44	S	S	.	.	H	α-helix	trans	-58.8	-52.4	174.4	-62.8	173.8	0	0	0	110.1	L477 V482 D484 A485 H486 T490 L491 L492	L477-I488 HydrophobicContact CD1-CG2 4.11Å; L477-I488 HydrophobicContact CD2-CB 4.5Å; L477-I488 HydrophobicContact CD2-CG1 4.34Å; L477-I488 HydrophobicContact CD2-CG2 4.33Å; V482-I488 HydrophobicContact CG1-CB 4.47Å; V482-I488 HydrophobicContact CG1-CD1 4.45Å; V482-I488 HydrophobicContact CG1-CG1 3.45Å; V482-I488 VanDerWaalsContact CG1-CG1 3.45Å; D484-I488 WeakPolarHBondContact O-CG1 3.34Å; D484-I488 PolarHBondContact O-N 2.84Å; A485-I488 WeakPolarHBondContact O-CB 3.38Å; A485-I488 PolarHBondContact O-N 2.79Å; H486-I488 VanDerWaalsContact C-N 3.35Å; I488-T490 VanDerWaalsContact C-N 3.32Å; I488-T490 PolarHBondContact O-N 2.85Å; I488-L491 PolarHBondContact O-N 3.24Å; I488-L492 HydrophobicContact CG2-CD1 3.75Å; I488-L492 HydrophobicContact CG2-CG 4.22Å; I488-L492 WeakPolarHBondContact O-CB 3.37Å; I488-L492 WeakPolarHBondContact O-CG 3.31Å; I488-L492 PolarHBondContact O-N 3.17Å
489	Y	75.9	Confident	74.7	Confident	175 Å²	175	87.1 Å²	87.1	69%	0.686	43%	0.427	S	S	*	.	H	α-helix	trans	-59.4	-42.7	178.8	-77.4	-67.4	0	0	0	112.3	A485 H486 L491 G493	A485-Y489 WeakPolarHBondContact O-CD2 3.48Å; A485-Y489 PolarHBondContact O-N 3.22Å; H486-Y489 PolarHBondContact O-N 2.65Å; Y489-L491 VanDerWaalsContact C-N 3.33Å; Y489-L491 PolarHBondContact O-N 3.32Å; Y489-G493 PolarHBondContact O-N 2.88Å
490	T	77.5	Confident	73.5	Confident	62 Å²	62	84.5 Å²	84.5	38%	0.38	43%	0.427	S	S	.	.	H	α-helix	trans	-62.8	-41.6	178.6	-60.6	0	0	0	0	111.6	H486 Q487 I488 G493 K494	H486-T490 WeakPolarHBondContact O-CB 3.48Å; H486-T490 PolarHBondContact O-N 3.25Å; H486-T490 PolarHBondContact O-OG1 2.94Å; Q487-T490 PolarHBondContact O-N 3.41Å; I488-T490 VanDerWaalsContact C-N 3.32Å; I488-T490 PolarHBondContact O-N 2.85Å; T490-G493 PolarHBondContact O-N 2.88Å; T490-K494 WeakPolarHBondContact O-CG 3.41Å; T490-K494 PolarHBondContact O-N 3.37Å
491	L	76.5	Confident	71.5	Confident	23 Å²	23	85 Å²	85	12%	0.12	43%	0.434	C	S	.	.	H	α-helix	trans	-71.1	-44.6	179.3	-77.9	165.3	0	0	0	112.9	L477 R480 V482 Q487 I488 Y489 G493 K494 L495	L477-L491 HydrophobicContact CD2-CB 3.98Å; L477-L491 HydrophobicContact CD2-CD1 3.9Å; R480-L491 HydrophobicContact CB-CD1 4.4Å; R480-L491 VanDerWaalsContact CD-CD2 3.41Å; V482-L491 HydrophobicContact CB-CD1 4.47Å; V482-L491 HydrophobicContact CG2-CD1 3.15Å; Q487-L491 WeakPolarHBondContact O-CB 3.46Å; Q487-L491 WeakPolarHBondContact O-CD1 3.15Å; Q487-L491 VanDerWaalsContact O-CG 3.3Å; Q487-L491 WeakPolarHBondContact O-CG 3.43Å; Q487-L491 PolarHBondContact O-N 3.32Å; I488-L491 PolarHBondContact O-N 3.24Å; Y489-L491 VanDerWaalsContact C-N 3.33Å; Y489-L491 PolarHBondContact O-N 3.32Å; L491-G493 PolarHBondContact O-N 3.11Å; L491-K494 PolarHBondContact O-N 3.25Å; L491-K494 VanDerWaalsContact O-N 3.14Å; L491-L495 WeakPolarHBondContact O-CB 3.36Å; L491-L495 PolarHBondContact O-N 3.47Å
492	L	76.5	Confident	69.5	Low	33 Å²	33	88.2 Å²	88.2	17%	0.173	45%	0.448	C	S	.	.	H	α-helix	trans	-59.6	-38.6	172.6	-69.8	176.5	0	0	0	110.8	L440 A473 I488 L495 K496	L440-L492 HydrophobicContact CD1-CD2 4.28Å; A473-L492 HydrophobicContact CB-CD2 4.39Å; I488-L492 HydrophobicContact CG2-CD1 3.75Å; I488-L492 HydrophobicContact CG2-CG 4.22Å; I488-L492 WeakPolarHBondContact O-CB 3.37Å; I488-L492 WeakPolarHBondContact O-CG 3.31Å; I488-L492 PolarHBondContact O-N 3.17Å; L492-L495 HydrophobicContact CD2-CD1 4.49Å; L492-L495 WeakPolarHBondContact O-CB 3.49Å; L492-L495 PolarHBondContact O-N 3.41Å; L492-K496 WeakPolarHBondContact O-CB 3.14Å; L492-K496 PolarHBondContact O-N 2.92Å
493	G	72.3	Confident	67.3	Low	23 Å²	23	93 Å²	93	24%	0.237	48%	0.48	C	S	.	.	H	α-helix	trans	-62.7	-41.5	172.8	0	0	0	0	0	113.5	Y489 T490 L491 K496 R497	Y489-G493 PolarHBondContact O-N 2.88Å; T490-G493 PolarHBondContact O-N 2.88Å; L491-G493 PolarHBondContact O-N 3.11Å; G493-K496 PolarHBondContact O-N 3.37Å; G493-R497 WeakPolarHBondContact O-CG 3.26Å; G493-R497 PolarHBondContact O-N 2.93Å
494	K	71.7	Confident	65	Low	125 Å²	125	93.1 Å²	93.1	54%	0.543	48%	0.481	S	S	.	.	H	α-helix	trans	-66.3	-42	174.2	-74.7	179	-179.9	178.4	0	111.8	T490 L491 R497 S498	T490-K494 WeakPolarHBondContact O-CG 3.41Å; T490-K494 PolarHBondContact O-N 3.37Å; L491-K494 PolarHBondContact O-N 3.25Å; L491-K494 VanDerWaalsContact O-N 3.14Å; K494-R497 PolarHBondContact O-N 2.89Å; K494-S498 PolarHBondContact O-N 3.43Å
495	L	70.4	Confident	62.7	Low	29 Å²	29	95.8 Å²	95.8	15%	0.152	51%	0.505	C	S	.	.	H	α-helix	trans	-56.7	-48.5	173.3	-106.5	155.1	0	0	0	111	L476 L491 L492 R497 S498 R499	L476-L495 HydrophobicContact CD1-CD1 3.81Å; L476-L495 HydrophobicContact CD1-CD2 3.82Å; L476-L495 HydrophobicContact CD1-CG 4.18Å; L491-L495 WeakPolarHBondContact O-CB 3.36Å; L491-L495 PolarHBondContact O-N 3.47Å; L492-L495 HydrophobicContact CD2-CD1 4.49Å; L492-L495 WeakPolarHBondContact O-CB 3.49Å; L492-L495 PolarHBondContact O-N 3.41Å; L495-R497 PolarHBondContact O-N 3Å; L495-S498 PolarHBondContact O-N 3.3Å; L495-S498 PolarHBondContact O-OG 2.93Å; L495-R499 WeakPolarHBondContact O-CD 3.44Å; L495-R499 WeakPolarHBondContact O-CG 3.44Å; L495-R499 PolarHBondContact O-N 2.99Å
496	K	68.3	Low	60.4	Low	54 Å²	54	96.3 Å²	96.3	24%	0.235	52%	0.516	C	S	.	.	H	α-helix	trans	-56.3	-48.5	175	-173.4	177.6	177.6	175	0	111.7	S434 Q437 L492 G493 R499 A500	S434-K496 PolarHBondContact O-NZ 3.27Å; S434-K496 VanDerWaalsContact O-NZ 3.13Å; Q437-K496 VanDerWaalsContact CB-CE 3.46Å; Q437-K496 VanDerWaalsContact CB-NZ 3.29Å; Q437-K496 PolarHBondContact O-NZ 3.12Å; Q437-K496 VanDerWaalsContact OE1-CE 3.3Å; L492-K496 WeakPolarHBondContact O-CB 3.14Å; L492-K496 PolarHBondContact O-N 2.92Å; G493-K496 PolarHBondContact O-N 3.37Å; K496-R499 PolarHBondContact O-N 2.93Å; K496-A500 PolarHBondContact O-N 3.16Å
497	R	66.5	Low	58.1	Low	193 Å²	193	98.8 Å²	98.8	73%	0.728	53%	0.528	S	S	*	.	H	α-helix	trans	-65.9	-38.4	179.1	-69.6	-175.6	-134.5	-156.1	3.2	113.8	G493 K494 L495 R499 A500	G493-R497 WeakPolarHBondContact O-CG 3.26Å; G493-R497 PolarHBondContact O-N 2.93Å; K494-R497 PolarHBondContact O-N 2.89Å; L495-R497 PolarHBondContact O-N 3Å; R497-R499 PolarHBondContact O-N 3.07Å; R497-A500 PolarHBondContact O-N 3.48Å
498	S	66.1	Low	55.6	Low	80 Å²	80	104 Å²	104	56%	0.559	55%	0.553	S	S	*	*	H	α-helix	trans	-62.9	-26.9	178.4	70.4	0	0	0	0	113	K494 L495	K494-S498 PolarHBondContact O-N 3.43Å; L495-S498 PolarHBondContact O-N 3.3Å; L495-S498 PolarHBondContact O-OG 2.93Å
499	R	62.5	Low	53.1	Low	95 Å²	95	109.2 Å²	109.2	36%	0.358	58%	0.576	S	S	.	*	H	α-helix	trans	-83.9	-19.6	178.9	-66.1	167	177	-169.5	-5.8	113.2	L440 L495 K496 R497	L440-R499 PolarHBondContact O-NH1 3.32Å; L495-R499 WeakPolarHBondContact O-CD 3.44Å; L495-R499 WeakPolarHBondContact O-CG 3.44Å; L495-R499 PolarHBondContact O-N 2.99Å; K496-R499 PolarHBondContact O-N 2.93Å; R497-R499 PolarHBondContact O-N 3.07Å
500	A	55.7	Low	50.8	Low	77 Å²	77	112.3 Å²	112.3	64%	0.636	59%	0.586	S	S	*	*	H	α-helix	trans	-88.5	-18.5	-179.1	0	0	0	0	0	113.7	K496 R497 P502	K496-A500 PolarHBondContact O-N 3.16Å; R497-A500 PolarHBondContact O-N 3.48Å; A500-P502 WeakPolarHBondContact O-CD 3.39Å
501	K	40.2	Very low	48.6	Very low	163 Å²	163	114.6 Å²	114.6	71%	0.709	61%	0.605	S	S	*	*	S	Bend	trans	-79.1	123.4	176.2	-75.4	-168	177.6	-173.1	0	110.2
502	P	35	Very low	46.5	Very low	105 Å²	105	117.2 Å²	117.2	68%	0.682	64%	0.637	S	S	*	*	P	Polyproline II helix	trans	-62.5	147	167.4	25.5	-30.5	0	0	0	109.5	A500 Q504	A500-P502 WeakPolarHBondContact O-CD 3.39Å; P502-Q504 PolarHBondContact O-N 3.15Å; P502-Q504 VanDerWaalsContact O-N 3.09Å
503	P	32	Very low	44.4	Very low	132 Å²	132	127.1 Å²	127.1	86%	0.857	67%	0.672	S	S	*	*	P	Polyproline II helix	trans	-57	119.6	178.5	22.1	-30.6	0	0	0	109.2	S505	P503-S505 PolarHBondContact O-N 2.92Å
504	Q	30	Very low	42.4	Very low	175 Å²	175	128.4 Å²	128.4	82%	0.818	69%	0.685	S	S	*	*	P	Polyproline II helix	trans	-68.9	117.1	172.3	-76.8	-178	-27.9	0	0	108	P502 G506	P502-Q504 PolarHBondContact O-N 3.15Å; P502-Q504 VanDerWaalsContact O-N 3.09Å; Q504-G506 PolarHBondContact O-N 3.08Å
505	S	29.7	Very low	40.5	Very low	124 Å²	124	129.3 Å²	129.3	87%	0.867	70%	0.695	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.8	115.6	165.5	50.1	0	0	0	0	109	P503	P503-S505 PolarHBondContact O-N 2.92Å
506	G	29.7	Very low	38.9	Very low	75 Å²	75	132.8 Å²	132.8	77%	0.773	72%	0.717	S	S	*	*	T	Hydrogen-bonded Turn	trans	129.4	23.1	167.3	0	0	0	0	0	118.4	Q504	Q504-G506 PolarHBondContact O-N 3.08Å
507	Q	26.8	Very low	37.3	Very low	193 Å²	193	134 Å²	134	90%	0.902	73%	0.732	S	S	*	*			trans	-124.8	74.7	160.8	-73.2	-168	-13.1	0	0	110.5
508	E	25.6	Very low	36.1	Very low	184 Å²	184	129.4 Å²	129.4	86%	0.86	73%	0.725	S	S	*	*			trans	-66.4	148.4	151	-76	-179	152	0	0	109.4
509	E	26.8	Very low	34.5	Very low	174 Å²	174	134.7 Å²	134.7	81%	0.813	73%	0.733	S	S	*	*			trans	67.8	96.2	166.7	-59.4	-167.5	160.2	0	0	118.8
510	R	27	Very low	33.4	Very low	240 Å²	240	134.9 Å²	134.9	91%	0.906	74%	0.741	S	S	*	*	S	Bend		165.2	91.3	113.3	-87.7	169.5	-178.6	-166.7	0.9	110.6
511	S	31	Very low	32.8	Very low	110 Å²	110	134.8 Å²	134.8	77%	0.769	74%	0.736	S	S	*	*			trans	177	51.4	146	46.3	0	0	0	0	111.4	R513	S511-R513 PolarHBondContact O-N 3.26Å
512	G	32.7	Very low	32.8	Very low	77 Å²	77	133.7 Å²	133.7	79%	0.794	73%	0.731	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.5	31.4	177.9	0	0	0	0	0	116
513	R	32.9	Very low	33	Very low	242 Å²	242	133.1 Å²	133.1	91%	0.913	72%	0.722	S	S	*	*	T	Hydrogen-bonded Turn	trans	-124.9	-1.4	176.7	-71	-169.4	-173.8	-175.2	3	116.3	S511	S511-R513 PolarHBondContact O-N 3.26Å
514	G	30	Very low	33.3	Very low	49 Å²	49	133.5 Å²	133.5	51%	0.505	71%	0.712	S	S	.	*	S	Bend	trans	-95.9	-31.2	177.5	0	0	0	0	0	115.8
515	L	32.2	Very low	33.7	Very low	145 Å²	145	131.2 Å²	131.2	76%	0.759	70%	0.7	S	S	*	*	H	α-helix	trans	-85.6	-17.7	-167	-86	153.6	0	0	0	115.2	S517	L515-S517 VanDerWaalsContact C-N 3.35Å
516	V	35.4	Very low	34.1	Very low	101 Å²	101	128 Å²	128	61%	0.612	68%	0.677	S	S	*	*	H	α-helix	trans	-72.9	-30.4	176.4	-177.4	0	0	0	0	111.3	N520	V516-N520 PolarHBondContact O-N 3.41Å
517	S	36.7	Very low	34.8	Very low	80 Å²	80	130.2 Å²	130.2	56%	0.559	67%	0.67	S	S	*	*	H	α-helix	trans	-66.3	-44.5	178.2	174.7	0	0	0	0	112.4	L515 R519 N520 S521	L515-S517 VanDerWaalsContact C-N 3.35Å; S517-R519 PolarHBondContact O-N 2.89Å; S517-N520 PolarHBondContact O-N 3.34Å; S517-S521 PolarHBondContact O-N 3.28Å
518	V	39.5	Very low	35.5	Very low	96 Å²	96	129.2 Å²	129.2	58%	0.582	66%	0.66	S	S	*	*	H	α-helix	trans	-71.6	-34.9	-176.1	-176.1	0	0	0	0	112	S521 F522	V518-S521 PolarHBondContact O-N 3.49Å; V518-F522 WeakPolarHBondContact O-CB 3.46Å; V518-F522 PolarHBondContact O-N 3.46Å
519	R	33.9	Very low	36.1	Very low	192 Å²	192	126.5 Å²	126.5	73%	0.725	65%	0.647	S	S	*	*	H	α-helix	trans	-69.5	-35.6	178.6	-160.4	173.7	173.8	179	-3.1	111.9	S517 L523	S517-R519 PolarHBondContact O-N 2.89Å; R519-L523 PolarHBondContact O-N 3.34Å; R519-L523 VanDerWaalsContact O-N 3.12Å
520	N	38.7	Very low	36.7	Very low	99 Å²	99	128.8 Å²	128.8	53%	0.529	65%	0.648	S	S	.	*	H	α-helix	trans	-71.8	-41.7	174.8	-77.7	-11.4	0	0	0	112.1	V516 S517 F522 L523 Q524	V516-N520 PolarHBondContact O-N 3.41Å; S517-N520 PolarHBondContact O-N 3.34Å; N520-F522 VanDerWaalsContact C-N 3.32Å; N520-F522 PolarHBondContact O-N 3.41Å; N520-L523 PolarHBondContact O-N 3.45Å; N520-Q524 WeakPolarHBondContact O-CB 3.08Å; N520-Q524 PolarHBondContact O-N 3.1Å
521	S	44.1	Very low	37.2	Very low	74 Å²	74	119.7 Å²	119.7	52%	0.517	63%	0.628	S	S	.	*	H	α-helix	trans	-62.3	-37.2	174.4	-90.4	0	0	0	0	113	S517 V518 Q524 F525	S517-S521 PolarHBondContact O-N 3.28Å; V518-S521 PolarHBondContact O-N 3.49Å; S521-Q524 PolarHBondContact O-N 3.46Å; S521-F525 WeakPolarHBondContact O-CB 3.39Å; S521-F525 PolarHBondContact O-N 3.37Å
522	F	39.3	Very low	37.1	Very low	141 Å²	141	120.8 Å²	120.8	62%	0.618	63%	0.626	S	S	*	*	H	α-helix	trans	-72.4	-39.6	178.9	-162.9	-99.5	0	0	0	112.4	V518 N520 Q524 F525 C526	V518-F522 WeakPolarHBondContact O-CB 3.46Å; V518-F522 PolarHBondContact O-N 3.46Å; N520-F522 VanDerWaalsContact C-N 3.32Å; N520-F522 PolarHBondContact O-N 3.41Å; F522-Q524 VanDerWaalsContact C-N 3.32Å; F522-Q524 PolarHBondContact O-N 3Å; F522-F525 PolarHBondContact O-N 3.09Å; F522-C526 VanDerWaalsContact CE1-SG 3.57Å; F522-C526 WeakPolarHBondContact O-CB 3.44Å; F522-C526 PolarHBondContact O-N 3.43Å; F522-C526 PolarHBondContact O-SG 2.6Å
523	L	38.2	Very low	37.1	Very low	92 Å²	92	128.7 Å²	128.7	48%	0.482	63%	0.632	S	S	.	*	H	α-helix	trans	-63.6	-38.3	172.1	-100	149	0	0	0	111.8	R519 N520 C526 L527	R519-L523 PolarHBondContact O-N 3.34Å; R519-L523 VanDerWaalsContact O-N 3.12Å; N520-L523 PolarHBondContact O-N 3.45Å; L523-C526 PolarHBondContact O-N 3.42Å; L523-L527 WeakPolarHBondContact O-CB 3.41Å; L523-L527 WeakPolarHBondContact O-CD1 3.26Å; L523-L527 VanDerWaalsContact O-CG 3.25Å; L523-L527 WeakPolarHBondContact O-CG 3.48Å; L523-L527 PolarHBondContact O-N 2.84Å
524	Q	39.3	Very low	36.7	Very low	140 Å²	140	126.2 Å²	126.2	65%	0.654	63%	0.628	S	S	*	*	H	α-helix	trans	-69	-37.3	177.1	-156.4	166.5	-2.6	0	0	111.7	N520 S521 F522 L527 Y528	N520-Q524 WeakPolarHBondContact O-CB 3.08Å; N520-Q524 PolarHBondContact O-N 3.1Å; S521-Q524 PolarHBondContact O-N 3.46Å; F522-Q524 VanDerWaalsContact C-N 3.32Å; F522-Q524 PolarHBondContact O-N 3Å; Q524-L527 PolarHBondContact O-N 3.32Å; Q524-Y528 WeakPolarHBondContact O-CB 3.15Å; Q524-Y528 PolarHBondContact O-N 2.99Å
525	F	38.9	Very low	36.4	Very low	128 Å²	128	132.4 Å²	132.4	56%	0.561	65%	0.645	S	S	*	*	H	α-helix	trans	-66.9	-42	173.2	-171.6	-97.5	0	0	0	112.5	S521 F522 Y528 Q529	S521-F525 WeakPolarHBondContact O-CB 3.39Å; S521-F525 PolarHBondContact O-N 3.37Å; F522-F525 PolarHBondContact O-N 3.09Å; F525-Y528 PolarHBondContact O-N 3.27Å; F525-Q529 HydrophobicContact CE1-CG 4.28Å; F525-Q529 WeakPolarHBondContact O-CG 3.47Å; F525-Q529 PolarHBondContact O-N 3.04Å
526	C	38.4	Very low	36.5	Very low	56 Å²	56	137.3 Å²	137.3	38%	0.378	67%	0.67	S	S	.	*	H	α-helix	trans	-68.8	-32.4	176.4	-70.2	0	0	0	0	113	F522 L523	F522-C526 VanDerWaalsContact CE1-SG 3.57Å; F522-C526 WeakPolarHBondContact O-CB 3.44Å; F522-C526 PolarHBondContact O-N 3.43Å; F522-C526 PolarHBondContact O-SG 2.6Å; L523-C526 PolarHBondContact O-N 3.42Å
527	L	43	Very low	36.5	Very low	122 Å²	122	139.2 Å²	139.2	64%	0.639	67%	0.673	S	S	*	*	H	α-helix	trans	-74.1	-35	174.2	-73.7	164.4	0	0	0	111.7	L523 Q524 Q529 R530	L523-L527 WeakPolarHBondContact O-CB 3.41Å; L523-L527 WeakPolarHBondContact O-CD1 3.26Å; L523-L527 VanDerWaalsContact O-CG 3.25Å; L523-L527 WeakPolarHBondContact O-CG 3.48Å; L523-L527 PolarHBondContact O-N 2.84Å; Q524-L527 PolarHBondContact O-N 3.32Å; L527-Q529 VanDerWaalsContact C-N 3.34Å; L527-Q529 PolarHBondContact O-N 3.23Å; L527-R530 PolarHBondContact O-N 3.47Å
528	Y	41.3	Very low	36.5	Very low	172 Å²	172	142.3 Å²	142.3	68%	0.675	68%	0.679	S	S	*	*	H	α-helix	trans	-64.8	-37.3	176.1	-156.7	-97.7	0	0	0	112.3	Q524 F525 R530 G531	Q524-Y528 WeakPolarHBondContact O-CB 3.15Å; Q524-Y528 PolarHBondContact O-N 2.99Å; F525-Y528 PolarHBondContact O-N 3.27Å; Y528-R530 PolarHBondContact O-N 3.17Å; Y528-G531 PolarHBondContact O-N 2.98Å
529	Q	38.5	Very low	36.3	Very low	126 Å²	126	144.8 Å²	144.8	59%	0.589	68%	0.684	S	S	*	*	H	α-helix	trans	-73.6	-21.7	179	-73.1	-73.7	-25.4	0	0	114.1	F525 L527	F525-Q529 HydrophobicContact CE1-CG 4.28Å; F525-Q529 WeakPolarHBondContact O-CG 3.47Å; F525-Q529 PolarHBondContact O-N 3.04Å; L527-Q529 VanDerWaalsContact C-N 3.34Å; L527-Q529 PolarHBondContact O-N 3.23Å
530	R	39.5	Very low	36.5	Very low	223 Å²	223	142.1 Å²	142.1	84%	0.842	68%	0.682	S	S	*	*	H	α-helix	trans	-86.3	-9.7	175.2	-77.4	-173	174.6	-173.2	-1.4	114	L527 Y528	L527-R530 PolarHBondContact O-N 3.47Å; Y528-R530 PolarHBondContact O-N 3.17Å
531	G	37.3	Very low	36.3	Very low	48 Å²	48	144.8 Å²	144.8	50%	0.495	69%	0.692	S	S	.	*	S	Bend	trans	-85.8	-15.3	-173.7	0	0	0	0	0	116.9	Y528	Y528-G531 PolarHBondContact O-N 2.98Å
532	N	29.9	Very low	35.8	Very low	133 Å²	133	149.5 Å²	149.5	71%	0.711	70%	0.703	S	S	*	*			trans	-110	31.6	-166.6	-85.6	-4.5	0	0	0	116
533	W	31.3	Very low	35.6	Very low	244 Å²	244	150.1 Å²	150.1	92%	0.924	71%	0.709	S	S	*	*			trans	-105.5	65	161.4	-70.7	65.3	0	0	0	109.2
534	K	25.2	Very low	35.4	Very low	189 Å²	189	154.5 Å²	154.5	82%	0.822	73%	0.727	S	S	*	*	S	Bend	trans	-130.6	112	163.8	-93.5	-170.9	175.3	-178.1	0	108.7
535	M	23.5	Very low	35.1	Very low	179 Å²	179	155.8 Å²	155.8	88%	0.882	73%	0.733	S	S	*	*			trans	47.8	98.9	160.5	-63.5	-158.9	-58.8	0	0	116.9
536	I	34	Very low	34.7	Very low	249 Å²	249	158.3 Å²	158.3	100%	1.277	75%	0.748	S	S	*	*				-146.3	0	113.3	-78.7	148.4	0	0	0	104.9

Retrieved 536 of 536 residues in 338.2 ms (Link to these results)

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